smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[NH2+]C[C@H]1CNc1nc2ccccc2o1 ZINC000723786630 710731288 /nfs/dbraw/zinc/73/12/88/710731288.db2.gz RQYVVPQLQAKUNL-ZJUUUORDSA-N 1 0 231.299 2.095 10 0 BEAERO Cc1cnc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)c(C)c1 ZINC000724071873 710737067 /nfs/dbraw/zinc/73/70/67/710737067.db2.gz FBPYDDUBKYUGII-UONOGXRCSA-N 1 0 245.370 2.058 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)CC1(C)C ZINC000380598161 712901869 /nfs/dbraw/zinc/90/18/69/712901869.db2.gz YPODZNZISZIZLZ-QWRGUYRKSA-N 1 0 226.364 2.007 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C[C@H]1CCC(=O)N1)C(C)C ZINC000380727375 712902726 /nfs/dbraw/zinc/90/27/26/712902726.db2.gz POYYWLLGPFSFBK-UTUOFQBUSA-N 1 0 226.364 2.068 10 0 BEAERO CCC(CC)Cc1nc([C@H](C)C[NH3+])no1 ZINC000381043779 710599229 /nfs/dbraw/zinc/59/92/29/710599229.db2.gz CTWARDQBCGGNTE-MRVPVSSYSA-N 1 0 211.309 2.111 10 0 BEAERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000381171705 710607170 /nfs/dbraw/zinc/60/71/70/710607170.db2.gz XGDRSJKTSFZBHX-ZWNOBZJWSA-N 1 0 249.314 2.016 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1Nc1ncccc1Cl ZINC000721900041 710690738 /nfs/dbraw/zinc/69/07/38/710690738.db2.gz SPWYPUOPEGRIJL-SECBINFHSA-N 1 0 225.723 2.145 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000037148544 711480337 /nfs/dbraw/zinc/48/03/37/711480337.db2.gz MHYANPWCTJRESC-QWRGUYRKSA-N 1 0 236.363 2.311 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723572460 711519146 /nfs/dbraw/zinc/51/91/46/711519146.db2.gz AVNMYHRJXLZJCN-MOENNCHZSA-N 1 0 209.333 2.070 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000308282187 711520247 /nfs/dbraw/zinc/52/02/47/711520247.db2.gz XJYNBDJRXSTUFI-BQBZGAKWSA-N 1 0 219.737 2.260 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CNc1nccc2occc21 ZINC000723786197 711537318 /nfs/dbraw/zinc/53/73/18/711537318.db2.gz PREXENURCUZAKK-ZJUUUORDSA-N 1 0 231.299 2.095 10 0 BEAERO Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000723868105 711540099 /nfs/dbraw/zinc/54/00/99/711540099.db2.gz OWZPGEBOMKESAP-OAHLLOKOSA-N 1 0 248.370 2.435 10 0 BEAERO Cc1cnc(C[NH2+][C@H]2CCSC2)c(C)c1 ZINC000724047704 711557500 /nfs/dbraw/zinc/55/75/00/711557500.db2.gz JVNAXLCEOYLZNU-NSHDSACASA-N 1 0 222.357 2.294 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]CCC1CC=CC1 ZINC000724198597 711569248 /nfs/dbraw/zinc/56/92/48/711569248.db2.gz NIJAHUQDBXSQAY-CQSZACIVSA-N 1 0 241.375 2.110 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2COCC2(C)C)C[C@H](C)O1 ZINC000724265121 711573149 /nfs/dbraw/zinc/57/31/49/711573149.db2.gz RROAQDYVJQPXMB-YVECIDJPSA-N 1 0 241.375 2.205 10 0 BEAERO O[C@@H]1CCC[C@H]1[NH+]1CCC(F)(C2CC2)CC1 ZINC000724689998 711608924 /nfs/dbraw/zinc/60/89/24/711608924.db2.gz DISSLUUILFJRMY-VXGBXAGGSA-N 1 0 227.323 2.114 10 0 BEAERO CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)[C@H]1CC1(C)C ZINC000724872833 711621857 /nfs/dbraw/zinc/62/18/57/711621857.db2.gz RCVJMIDKXFBZPH-YVECIDJPSA-N 1 0 241.375 2.205 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000724957174 711634568 /nfs/dbraw/zinc/63/45/68/711634568.db2.gz GODCSYCYXXOWHJ-JEFIIJIESA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]([NH3+])CNc1ccnc2c(F)cccc12 ZINC000257761850 711727823 /nfs/dbraw/zinc/72/78/23/711727823.db2.gz XEYGGVMABYUSCW-MRVPVSSYSA-N 1 0 219.263 2.133 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])Cc1nc([C@H]2CC2(C)C)no1 ZINC000232565839 711760857 /nfs/dbraw/zinc/76/08/57/711760857.db2.gz YMRJNQRZWNCXEJ-BDAKNGLRSA-N 1 0 237.347 2.499 10 0 BEAERO C[C@H](C[NH3+])c1noc(C(C)(C)c2ccccc2)n1 ZINC000054158618 711766299 /nfs/dbraw/zinc/76/62/99/711766299.db2.gz RCEDLABDZXBRHH-SNVBAGLBSA-N 1 0 245.326 2.458 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1Nc1ncnc2sccc21 ZINC000721858727 711791721 /nfs/dbraw/zinc/79/17/21/711791721.db2.gz FLDJWOCSYWBPPI-SECBINFHSA-N 1 0 248.355 2.101 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ncccc1C(F)(F)F ZINC000721869217 711792794 /nfs/dbraw/zinc/79/27/94/711792794.db2.gz WXBSEBYKPLTUAF-VXNVDRBHSA-N 1 0 245.248 2.120 10 0 BEAERO [NH3+]CCn1cc(-c2ccc3c(c2)CCCC3)cn1 ZINC000310928384 711793650 /nfs/dbraw/zinc/79/36/50/711793650.db2.gz SODSOBCRHBPKGV-UHFFFAOYSA-N 1 0 241.338 2.388 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721873773 711793809 /nfs/dbraw/zinc/79/38/09/711793809.db2.gz OZWPYCMXDIOUCY-LBPRGKRZSA-N 1 0 248.374 2.318 10 0 BEAERO CCc1cc(CC)nc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721877496 711794659 /nfs/dbraw/zinc/79/46/59/711794659.db2.gz ZASFOIXBHLGOJE-GFCCVEGCSA-N 1 0 248.374 2.011 10 0 BEAERO C[C@H](CN1CCCCC1)[NH2+][C@H]1CCCSC1 ZINC000061588070 711839125 /nfs/dbraw/zinc/83/91/25/711839125.db2.gz UDLHJVDYUBVQLM-OLZOCXBDSA-N 1 0 242.432 2.346 10 0 BEAERO CC[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000128937753 711943713 /nfs/dbraw/zinc/94/37/13/711943713.db2.gz JGQICMOBSYYPSJ-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2ccncc2)no1 ZINC000132145897 711955702 /nfs/dbraw/zinc/95/57/02/711955702.db2.gz JEFDCKMNPVGAKK-LLVKDONJSA-N 1 0 246.314 2.048 10 0 BEAERO CC(C)(C)[C@H]([NH3+])Cc1nc([C@H]2CC23CC3)no1 ZINC000700429167 711993370 /nfs/dbraw/zinc/99/33/70/711993370.db2.gz RDBJSTUKPIWQHT-RKDXNWHRSA-N 1 0 235.331 2.253 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000700467782 711993592 /nfs/dbraw/zinc/99/35/92/711993592.db2.gz YTGSHKVPTYXDBW-ZMLRMANQSA-N 1 0 249.358 2.405 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000700467776 711994023 /nfs/dbraw/zinc/99/40/23/711994023.db2.gz YTGSHKVPTYXDBW-YUSALJHKSA-N 1 0 249.358 2.405 10 0 BEAERO CCO[C@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000701671747 712027204 /nfs/dbraw/zinc/02/72/04/712027204.db2.gz HIMPIUOCZVOCPA-GJZGRUSLSA-N 1 0 249.354 2.005 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@]1(C)CC1(C)C ZINC000702403502 712051040 /nfs/dbraw/zinc/05/10/40/712051040.db2.gz GQFZDNSMXIYSKO-MFKMUULPSA-N 1 0 213.365 2.419 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1nnc(C)[nH]1)[C@H]1C[C@H]1C ZINC000321925880 712080757 /nfs/dbraw/zinc/08/07/57/712080757.db2.gz RTYYAHKQUHHGRL-HZQMYPQZSA-N 1 0 222.336 2.198 10 0 BEAERO Cc1cocc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000705217902 712124694 /nfs/dbraw/zinc/12/46/94/712124694.db2.gz KSBAEKFCNGERJF-JTQLQIEISA-N 1 0 247.298 2.180 10 0 BEAERO O[C@@H](C[N@@H+]1C[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000706782462 712155230 /nfs/dbraw/zinc/15/52/30/712155230.db2.gz BKLGRIJUNVIROX-IHRRRGAJSA-N 1 0 217.312 2.204 10 0 BEAERO O[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000706782447 712155520 /nfs/dbraw/zinc/15/55/20/712155520.db2.gz BKLGRIJUNVIROX-BFHYXJOUSA-N 1 0 217.312 2.204 10 0 BEAERO CSC1CC([NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000706813769 712156602 /nfs/dbraw/zinc/15/66/02/712156602.db2.gz DVKSJEBJSPQCDZ-YDYPAMBWSA-N 1 0 217.403 2.364 10 0 BEAERO CSC1CC([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000706881148 712158372 /nfs/dbraw/zinc/15/83/72/712158372.db2.gz ZUWJSYGNLOJFDE-AGVGLQIMSA-N 1 0 215.362 2.038 10 0 BEAERO CCn1nc(C)cc1-c1ccc2c(c1)C[NH2+]C2 ZINC000708033113 712175123 /nfs/dbraw/zinc/17/51/23/712175123.db2.gz MPHQRRVAIBWMDM-UHFFFAOYSA-N 1 0 227.311 2.482 10 0 BEAERO CCc1cc(NC2CC(SC)C2)cc[nH+]1 ZINC000708247556 712184876 /nfs/dbraw/zinc/18/48/76/712184876.db2.gz GDDSHFWHXGEEAZ-UHFFFAOYSA-N 1 0 222.357 2.372 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCC(=O)N[C@@H]1C)CC(C)(C)C ZINC000709082923 712208356 /nfs/dbraw/zinc/20/83/56/712208356.db2.gz PJHOMUXDJRKBBA-TUAOUCFPSA-N 1 0 240.391 2.315 10 0 BEAERO CC1(C)C[C@@H](C[N@@H+]2CCC[C@H]2CN)C(C)(C)O1 ZINC000709695921 712216178 /nfs/dbraw/zinc/21/61/78/712216178.db2.gz IJESZOCAOUXWLO-RYUDHWBXSA-N 1 0 240.391 2.003 10 0 BEAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(Cl)cn1)C2 ZINC000709800470 712227234 /nfs/dbraw/zinc/22/72/34/712227234.db2.gz QDPHSCXGMGXKDN-GDPRMGEGSA-N 1 0 237.734 2.051 10 0 BEAERO C[C@H](Cn1cc(C(C)(C)[NH3+])nn1)C(C)(C)C ZINC000710825167 712257588 /nfs/dbraw/zinc/25/75/88/712257588.db2.gz CESSBUWCUDHXQA-SECBINFHSA-N 1 0 224.352 2.154 10 0 BEAERO CC[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C(C)C ZINC000710949343 712267320 /nfs/dbraw/zinc/26/73/20/712267320.db2.gz AFIZNIPMPKHXFQ-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1c1nc(CC2CCC2)no1 ZINC000711091357 712279734 /nfs/dbraw/zinc/27/97/34/712279734.db2.gz TWMABNRKWBZKAS-JTQLQIEISA-N 1 0 235.331 2.125 10 0 BEAERO CC[C@@H](Cc1nc(CC[NH2+]C)no1)C(C)(C)C ZINC000711151680 712286500 /nfs/dbraw/zinc/28/65/00/712286500.db2.gz ZUJXCHYCWAVJDI-JTQLQIEISA-N 1 0 239.363 2.446 10 0 BEAERO CC[C@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C(C)C ZINC000711294697 712292921 /nfs/dbraw/zinc/29/29/21/712292921.db2.gz ZESLENQYIZWSQA-SCRDCRAPSA-N 1 0 238.375 2.069 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](CF)C2)C1 ZINC000711450922 712301605 /nfs/dbraw/zinc/30/16/05/712301605.db2.gz MHDXIFDTHIZCBE-RWMBFGLXSA-N 1 0 229.339 2.219 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378964884 712367795 /nfs/dbraw/zinc/36/77/95/712367795.db2.gz SXJUGGUCAQYRLN-MBJXGIAVSA-N 1 0 223.360 2.316 10 0 BEAERO C(c1noc([C@@H]2CCC[NH2+]2)n1)C1CCCC1 ZINC000379107353 712369627 /nfs/dbraw/zinc/36/96/27/712369627.db2.gz RXHOCSDBLBKFNM-JTQLQIEISA-N 1 0 221.304 2.227 10 0 BEAERO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)[C@@H](C)O ZINC000379547652 712387793 /nfs/dbraw/zinc/38/77/93/712387793.db2.gz XYIWHTAQQLQJBA-OPRDCNLKSA-N 1 0 219.394 2.266 10 0 BEAERO Cc1ccc(F)c(-c2cnn(CCC[NH3+])c2)c1 ZINC000379749555 712397418 /nfs/dbraw/zinc/39/74/18/712397418.db2.gz IQHNVTUSZDDZNJ-UHFFFAOYSA-N 1 0 233.290 2.346 10 0 BEAERO C[C@@H](C[N@H+](C)[C@H](CN)C1CC1)C(C)(C)C ZINC000379779764 712398868 /nfs/dbraw/zinc/39/88/68/712398868.db2.gz BSGWSJISSZQMNN-CMPLNLGQSA-N 1 0 212.381 2.338 10 0 BEAERO C=C/C=C/CC[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000713646073 712468242 /nfs/dbraw/zinc/46/82/42/712468242.db2.gz PKOQNRGYTSDYKS-IHVVCDCBSA-N 1 0 207.317 2.420 10 0 BEAERO COCC1CC([NH2+][C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000713958695 712475230 /nfs/dbraw/zinc/47/52/30/712475230.db2.gz IBOWDGDQAOKKLM-GNRIBBGQSA-N 1 0 241.375 2.205 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCCSCC2)C1 ZINC000713982443 712476181 /nfs/dbraw/zinc/47/61/81/712476181.db2.gz IXAOESMUEDYYDO-MOENNCHZSA-N 1 0 229.389 2.287 10 0 BEAERO COCC1CC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000713987580 712476629 /nfs/dbraw/zinc/47/66/29/712476629.db2.gz ZWFSNIYAFRQYHF-HUEPFSFMSA-N 1 0 223.360 2.437 10 0 BEAERO COCC1CC([NH2+]C[C@]2(C)CCCS2)C1 ZINC000714005533 712476863 /nfs/dbraw/zinc/47/68/63/712476863.db2.gz DBZQEJVFBXDULW-MCIGGMRASA-N 1 0 229.389 2.287 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@@H]2CCCC[C@@H]2C)n1 ZINC000714450064 712490315 /nfs/dbraw/zinc/49/03/15/712490315.db2.gz PAWFSWGPLQGZIC-IVZWLZJFSA-N 1 0 223.320 2.426 10 0 BEAERO CO[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000714659926 712495305 /nfs/dbraw/zinc/49/53/05/712495305.db2.gz UEMNHOLTJLLJTJ-HDJSIYSDSA-N 1 0 219.328 2.244 10 0 BEAERO CCC1([NH3+])CCN(c2ccc(Cl)cn2)CC1 ZINC000714752492 712497072 /nfs/dbraw/zinc/49/70/72/712497072.db2.gz UYPPTTZNZBYHFF-UHFFFAOYSA-N 1 0 239.750 2.443 10 0 BEAERO CCC1([NH3+])CCN(c2cccc(C)n2)CC1 ZINC000714752446 712497432 /nfs/dbraw/zinc/49/74/32/712497432.db2.gz RHHPZKJWAHAVKN-UHFFFAOYSA-N 1 0 219.332 2.098 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2nccc3ccccc32)C1 ZINC000715082083 712507209 /nfs/dbraw/zinc/50/72/09/712507209.db2.gz NWLIJPCNWLQKMN-UMSPYCQHSA-N 1 0 227.311 2.384 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)cnn1C ZINC000716580200 712564120 /nfs/dbraw/zinc/56/41/20/712564120.db2.gz SYTWBNOBGXSERP-RETIQXCHSA-N 1 0 233.359 2.110 10 0 BEAERO CC(C)[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716721872 712570837 /nfs/dbraw/zinc/57/08/37/712570837.db2.gz FLOGYHAOSYHVEH-JXQTWKCFSA-N 1 0 246.354 2.237 10 0 BEAERO CCC[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716722779 712571195 /nfs/dbraw/zinc/57/11/95/712571195.db2.gz LGPJCWKALOEAHW-JXQTWKCFSA-N 1 0 246.354 2.381 10 0 BEAERO CCCCCC[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716771641 712572733 /nfs/dbraw/zinc/57/27/33/712572733.db2.gz XCEZSTQHZIYBJB-UNXYVOJBSA-N 1 0 226.364 2.199 10 0 BEAERO CCC[C@H](CCO)[NH2+]CCc1ccccc1 ZINC000716930507 712596813 /nfs/dbraw/zinc/59/68/13/712596813.db2.gz NEZMSOJHLWCZSE-CQSZACIVSA-N 1 0 221.344 2.370 10 0 BEAERO C[C@@H](CO)CCC[NH2+]CCc1ccccc1 ZINC000221249600 712658593 /nfs/dbraw/zinc/65/85/93/712658593.db2.gz YPHBEOSSCAFJFH-CYBMUJFWSA-N 1 0 221.344 2.227 10 0 BEAERO C[C@H](C[NH2+][C@@H](CO)C1CCC1)C(C)(C)C ZINC000717612689 712662541 /nfs/dbraw/zinc/66/25/41/712662541.db2.gz JEZZBFFDUVYCBF-PWSUYJOCSA-N 1 0 213.365 2.419 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+]C2(C3CCC3)CCC2)n1 ZINC000717812170 712680666 /nfs/dbraw/zinc/68/06/66/712680666.db2.gz UXOXNVUZVPNDDD-UHFFFAOYSA-N 1 0 247.342 2.303 10 0 BEAERO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)C)n(C)n1 ZINC000380026406 712683223 /nfs/dbraw/zinc/68/32/23/712683223.db2.gz PFKNSVVTINIOCH-GHMZBOCLSA-N 1 0 209.337 2.424 10 0 BEAERO c1cc2c(s1)CCO[C@@H]2C[NH2+]C1CSC1 ZINC000380097024 712685886 /nfs/dbraw/zinc/68/58/86/712685886.db2.gz KOCWYXCHIAIFCU-SNVBAGLBSA-N 1 0 241.381 2.067 10 0 BEAERO COC1CC(C[NH2+]C2(C3CC3)CCC2)C1 ZINC000717851789 712694622 /nfs/dbraw/zinc/69/46/22/712694622.db2.gz LFTXWBQELVKFFG-UHFFFAOYSA-N 1 0 209.333 2.334 10 0 BEAERO COC(CC[NH2+]C1(C2CCC2)CCC1)OC ZINC000717876706 712696064 /nfs/dbraw/zinc/69/60/64/712696064.db2.gz SHXUFYDGWYEQRP-UHFFFAOYSA-N 1 0 227.348 2.308 10 0 BEAERO CCOC(=O)/C=C\C[NH2+]C1(C2CCC2)CCC1 ZINC000717888539 712731537 /nfs/dbraw/zinc/73/15/37/712731537.db2.gz VQTCAOISRVDOOJ-YWEYNIOJSA-N 1 0 237.343 2.418 10 0 BEAERO CC[C@@H](NC(=O)CC1CC([NH3+])C1)c1ccccc1 ZINC000718080958 712741913 /nfs/dbraw/zinc/74/19/13/712741913.db2.gz YJQYYJVJDDOAEQ-UXUKBGGZSA-N 1 0 246.354 2.381 10 0 BEAERO Cc1coc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000718413843 712760248 /nfs/dbraw/zinc/76/02/48/712760248.db2.gz KOKFBQNNVDKWKG-JTQLQIEISA-N 1 0 247.298 2.180 10 0 BEAERO COC(=O)[C@H]1CCC[N@H+](CCCC(C)(F)F)C1 ZINC000718572252 712774988 /nfs/dbraw/zinc/77/49/88/712774988.db2.gz DOXQURQVRWLYPJ-JTQLQIEISA-N 1 0 249.301 2.307 10 0 BEAERO CC[NH2+][C@H](C)CNc1ccnc2ncccc12 ZINC000718931228 712788656 /nfs/dbraw/zinc/78/86/56/712788656.db2.gz XWYZVHXACDDXIU-SNVBAGLBSA-N 1 0 230.315 2.040 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccnc2ncccc12 ZINC000718980636 712790965 /nfs/dbraw/zinc/79/09/65/712790965.db2.gz BXEVLQULFMXJFE-PWSUYJOCSA-N 1 0 242.326 2.182 10 0 BEAERO [NH3+]C1CCC(Nc2ccnc3ncccc23)CC1 ZINC000718980592 712791109 /nfs/dbraw/zinc/79/11/09/712791109.db2.gz ANVHBQNJYSTRQD-UHFFFAOYSA-N 1 0 242.326 2.312 10 0 BEAERO c1cnc2nccc(NC[C@H]3CCC[NH2+]C3)c2c1 ZINC000718982729 712791626 /nfs/dbraw/zinc/79/16/26/712791626.db2.gz VTZFQBZNBUDJJD-NSHDSACASA-N 1 0 242.326 2.041 10 0 BEAERO CC(C)([NH3+])CCNc1ccnc2ncccc12 ZINC000718989463 712792384 /nfs/dbraw/zinc/79/23/84/712792384.db2.gz NGVWBRMMYVXDJP-UHFFFAOYSA-N 1 0 230.315 2.169 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccnc2ncccc12 ZINC000718989077 712792472 /nfs/dbraw/zinc/79/24/72/712792472.db2.gz LHMXZGNLPDWSCL-WCQYABFASA-N 1 0 242.326 2.182 10 0 BEAERO CC[C@](C)(O)C[NH+]1CCC(CSC)CC1 ZINC000719317021 712803903 /nfs/dbraw/zinc/80/39/03/712803903.db2.gz UZDOVFKVDOOGSR-LBPRGKRZSA-N 1 0 231.405 2.222 10 0 BEAERO Cn1ncc(C[NH2+][C@H]2CCCCCC2(C)C)n1 ZINC000719308488 712804121 /nfs/dbraw/zinc/80/41/21/712804121.db2.gz NRLNSSOYEQANOS-LBPRGKRZSA-N 1 0 236.363 2.264 10 0 BEAERO CC[C@H](C)c1noc(CCCC[NH2+]C)n1 ZINC000719673383 712818923 /nfs/dbraw/zinc/81/89/23/712818923.db2.gz WCPSNISDEVZPIH-VIFPVBQESA-N 1 0 211.309 2.125 10 0 BEAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000720603420 712857961 /nfs/dbraw/zinc/85/79/61/712857961.db2.gz QFTNRKITQYKWRX-WCFLWFBJSA-N 1 0 248.374 2.458 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ncccc1Cl ZINC000721073971 712889845 /nfs/dbraw/zinc/88/98/45/712889845.db2.gz LTRKCYBXPLBBTD-NXEZZACHSA-N 1 0 239.750 2.393 10 0 BEAERO c1ccc(NC[C@@H]2Cc3ccccc3C[NH2+]2)nc1 ZINC000721091796 712890256 /nfs/dbraw/zinc/89/02/56/712890256.db2.gz PENMFEYKEKHJDZ-AWEZNQCLSA-N 1 0 239.322 2.208 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000721166869 712894139 /nfs/dbraw/zinc/89/41/39/712894139.db2.gz KIEGLSIPOXNAQY-XQHKEYJVSA-N 1 0 227.348 2.101 10 0 BEAERO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N)nc1 ZINC000136532492 960769467 /nfs/dbraw/zinc/76/94/67/960769467.db2.gz BHNONYHOYHZMGJ-PWSUYJOCSA-N 1 0 219.332 2.427 10 0 BEAERO CCC(CC)C[NH2+]CCN1CCC[C@@H]1C ZINC000125724492 1165761357 /nfs/dbraw/zinc/76/13/57/1165761357.db2.gz YPPOYBROABPZIK-LBPRGKRZSA-N 1 0 212.381 2.497 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000039240222 1165808079 /nfs/dbraw/zinc/80/80/79/1165808079.db2.gz SQQLWOSMRASHRV-NEPJUHHUSA-N 1 0 218.300 2.143 10 0 BEAERO CC[C@@H](CCO)C[NH2+]CCCC(F)(F)F ZINC000123640619 1166337108 /nfs/dbraw/zinc/33/71/08/1166337108.db2.gz XAFWNKBDNSAQDK-VIFPVBQESA-N 1 0 227.270 2.327 10 0 BEAERO CC[C@](C)(CO)[NH2+]CCCC(F)(F)F ZINC000123617745 1166900806 /nfs/dbraw/zinc/90/08/06/1166900806.db2.gz VUXMXPQWMHZEMJ-MRVPVSSYSA-N 1 0 213.243 2.080 10 0 BEAERO C[NH2+]CCCCC(=O)Nc1ccc(C)c(F)c1 ZINC000204967029 970807643 /nfs/dbraw/zinc/80/76/43/970807643.db2.gz HVPAOZWVOFFMMI-UHFFFAOYSA-N 1 0 238.306 2.462 10 0 BEAERO COc1ncccc1C[NH2+]CCc1ccccc1 ZINC000037408106 982940235 /nfs/dbraw/zinc/94/02/35/982940235.db2.gz BZPAPEAGVDRARY-UHFFFAOYSA-N 1 0 242.322 2.423 10 0 BEAERO CC[C@@H](CO)[NH2+]C1CC(c2cccc(OC)c2)C1 ZINC000036844575 1170919571 /nfs/dbraw/zinc/91/95/71/1170919571.db2.gz RLZIIOGZBUHXHA-MOKVOYLWSA-N 1 0 249.354 2.302 10 0 BEAERO CCc1ccccc1C[NH2+][C@@H]1CCCCNC1=O ZINC000052201486 1171947327 /nfs/dbraw/zinc/94/73/27/1171947327.db2.gz WDLLBZUAZRHOIG-CQSZACIVSA-N 1 0 246.354 2.007 10 0 BEAERO CCOCC[NH2+]Cc1ccccc1CC ZINC000052201016 1171945985 /nfs/dbraw/zinc/94/59/85/1171945985.db2.gz AECKOTSBVQTILI-UHFFFAOYSA-N 1 0 207.317 2.375 10 0 BEAERO Cc1cc(C)cc(OCC[NH2+]C[C@@H]2CCOC2)c1 ZINC000053566604 177912830 /nfs/dbraw/zinc/91/28/30/177912830.db2.gz MDDVWBBMQMPJNW-AWEZNQCLSA-N 1 0 249.354 2.308 10 0 BEAERO CCNCC(F)(F)COC(C)(C)CC ZINC000685957099 538903555 /nfs/dbraw/zinc/90/35/55/538903555.db2.gz MIWFCLGXSOLZQJ-UHFFFAOYSA-N 1 0 209.280 2.436 10 0 BEAERO CNCC(F)(F)COCCC(C)(C)C ZINC000685957139 538903972 /nfs/dbraw/zinc/90/39/72/538903972.db2.gz RIBJNGINCIRVPZ-UHFFFAOYSA-N 1 0 209.280 2.294 10 0 BEAERO CCCNCC(F)(F)COCCSC ZINC000685957610 538905046 /nfs/dbraw/zinc/90/50/46/538905046.db2.gz CVHHMLOHDDBSMK-UHFFFAOYSA-N 1 0 227.320 2.001 10 0 BEAERO Cc1cnc(C(Cl)(Cl)Cl)nc1C[NH3+] ZINC000685959547 538906876 /nfs/dbraw/zinc/90/68/76/538906876.db2.gz PHZVHEHQKQXDQL-UHFFFAOYSA-N 1 0 240.521 2.070 10 0 BEAERO CC(C)[C@]1(CO)C[C@@H]1C[NH+]1CCCCC1 ZINC000685961333 538908131 /nfs/dbraw/zinc/90/81/31/538908131.db2.gz QRKBBUAEFZICFX-CHWSQXEVSA-N 1 0 211.349 2.127 10 0 BEAERO CC(C)[C@]1(CO)C[C@@H]1C[N@@H+]1CCC[C@@H](C)C1 ZINC000685961401 538908603 /nfs/dbraw/zinc/90/86/03/538908603.db2.gz REOKHUNAXHKBAS-MGPQQGTHSA-N 1 0 225.376 2.373 10 0 BEAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)C(C)(C)C ZINC000685961443 538908730 /nfs/dbraw/zinc/90/87/30/538908730.db2.gz IIAXDBRXSKMBLK-CYBMUJFWSA-N 1 0 248.370 2.061 10 0 BEAERO C[NH2+]CCC(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962338 538908985 /nfs/dbraw/zinc/90/89/85/538908985.db2.gz DBRMKTBVSAZLGR-CYBMUJFWSA-N 1 0 249.354 2.408 10 0 BEAERO CC(C)CC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685962196 538909066 /nfs/dbraw/zinc/90/90/66/538909066.db2.gz XUWAENGLAINORM-AWEZNQCLSA-N 1 0 248.370 2.061 10 0 BEAERO C[NH2+]CC(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962475 538909076 /nfs/dbraw/zinc/90/90/76/538909076.db2.gz JQBCVQSABKSXLD-GFCCVEGCSA-N 1 0 235.327 2.018 10 0 BEAERO CC[NH2+]CC(=O)C[C@H](C)COCc1ccccc1 ZINC000685962820 538909867 /nfs/dbraw/zinc/90/98/67/538909867.db2.gz WHRXGGMPUGRWQC-ZDUSSCGKSA-N 1 0 249.354 2.408 10 0 BEAERO CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCC[C@H]2C ZINC000685952772 538896833 /nfs/dbraw/zinc/89/68/33/538896833.db2.gz CUAIQZBKRPFHCF-AGIUHOORSA-N 1 0 210.365 2.377 10 0 BEAERO Cc1nc(C[NH2+]C[C@H]2CCCC[C@H]2O)cs1 ZINC000082991346 349440754 /nfs/dbraw/zinc/44/07/54/349440754.db2.gz OZXQRLAVYLVAJN-ZYHUDNBSSA-N 1 0 240.372 2.092 10 0 BEAERO C=C(OCC)c1cnccc1C[NH2+]CC ZINC000685964997 538911569 /nfs/dbraw/zinc/91/15/69/538911569.db2.gz KCZSXBWEIYGIJX-UHFFFAOYSA-N 1 0 206.289 2.198 10 0 BEAERO CC(C)c1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685965885 538912468 /nfs/dbraw/zinc/91/24/68/538912468.db2.gz XXUKHTJOCHAUOP-KBPBESRZSA-N 1 0 218.344 2.214 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@H](C)c1ccccc1 ZINC000685963366 538912573 /nfs/dbraw/zinc/91/25/73/538912573.db2.gz MPNCLPYWFMOWSF-TZMCWYRMSA-N 1 0 221.344 2.398 10 0 BEAERO CC(=O)c1ccc(C2=CC[NH2+]CC2)s1 ZINC000675082172 538916599 /nfs/dbraw/zinc/91/65/99/538916599.db2.gz DNCUXYBVWXAZFJ-UHFFFAOYSA-N 1 0 207.298 2.327 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)NCC1CCCCC1 ZINC000044762577 168321516 /nfs/dbraw/zinc/32/15/16/168321516.db2.gz KWXCEDVXRHIPEI-UHFFFAOYSA-N 1 0 240.391 2.448 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1cnc[nH]1 ZINC000616587924 349462028 /nfs/dbraw/zinc/46/20/28/349462028.db2.gz NYIZBWDSPVIDGY-CQSZACIVSA-N 1 0 227.311 2.377 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@@H](c3cccnn3)C2)cc1 ZINC000616611800 349462333 /nfs/dbraw/zinc/46/23/33/349462333.db2.gz RLXLWZNFIRQRIN-CQSZACIVSA-N 1 0 239.322 2.466 10 0 BEAERO CC1CC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000162590076 398143291 /nfs/dbraw/zinc/14/32/91/398143291.db2.gz SNTHHYXOAZRQBA-ULOBAINLSA-N 1 0 209.333 2.188 10 0 BEAERO CCC(CC)(CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000019807809 168322565 /nfs/dbraw/zinc/32/25/65/168322565.db2.gz JHKTUUTYIVTHPT-TXEJJXNPSA-N 1 0 212.381 2.482 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1cccnc1 ZINC000044762631 168322702 /nfs/dbraw/zinc/32/27/02/168322702.db2.gz MNVNPZHTVCLWEU-LLVKDONJSA-N 1 0 249.358 2.024 10 0 BEAERO COc1cc2c(cc1F)[nH]c(C)c2CC[NH3+] ZINC000258196851 349492739 /nfs/dbraw/zinc/49/27/39/349492739.db2.gz KABDQGGDWLZYQS-UHFFFAOYSA-N 1 0 222.263 2.125 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@@H](c3ccncn3)C2)cc1 ZINC000616612203 349478596 /nfs/dbraw/zinc/47/85/96/349478596.db2.gz WUHOWCLFTOKQEZ-CQSZACIVSA-N 1 0 239.322 2.466 10 0 BEAERO Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1N ZINC000035787428 178008114 /nfs/dbraw/zinc/00/81/14/178008114.db2.gz ZKNRWWAKEHPCKT-RYUDHWBXSA-N 1 0 234.343 2.186 10 0 BEAERO Cc1cc(C[NH2+]C2CC2)nc(CC(F)(F)F)n1 ZINC000054831989 178019305 /nfs/dbraw/zinc/01/93/05/178019305.db2.gz DGQOZJHWNWLBOK-UHFFFAOYSA-N 1 0 245.248 2.142 10 0 BEAERO Cc1cc(C[NH2+]C[C@H](C)N(C)C)cc(C)c1O ZINC000038087888 178025291 /nfs/dbraw/zinc/02/52/91/178025291.db2.gz XUUJZVZGONBIBY-LBPRGKRZSA-N 1 0 236.359 2.049 10 0 BEAERO Cc1cc(C[NH2+]Cc2cn[nH]c2)ccc1F ZINC000050545595 178027292 /nfs/dbraw/zinc/02/72/92/178027292.db2.gz OZWLWDJBSTYHMC-UHFFFAOYSA-N 1 0 219.263 2.147 10 0 BEAERO Cc1cc(C[NH2+][C@@H](C)[C@H](C)CO)c(C)s1 ZINC000131264535 178031598 /nfs/dbraw/zinc/03/15/98/178031598.db2.gz VTSZCQODNPLZQE-SCZZXKLOSA-N 1 0 227.373 2.471 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2C)cs1 ZINC000285817388 178035225 /nfs/dbraw/zinc/03/52/25/178035225.db2.gz HTYKYMDNYLVUTJ-GXSJLCMTSA-N 1 0 211.330 2.324 10 0 BEAERO Cc1cc(C[NH2+][C@H](C)CO)ccc1OC(C)C ZINC000098126319 178037065 /nfs/dbraw/zinc/03/70/65/178037065.db2.gz QZSOZKBRTJFMDY-GFCCVEGCSA-N 1 0 237.343 2.253 10 0 BEAERO CCC[C@H](CC)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000336664807 398178248 /nfs/dbraw/zinc/17/82/48/398178248.db2.gz CXQIQQZYRSKIPW-AGIUHOORSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616617069 398178492 /nfs/dbraw/zinc/17/84/92/398178492.db2.gz HNKVMWISZSTDLQ-CQSZACIVSA-N 1 0 246.354 2.373 10 0 BEAERO Cc1cc(COc2ccccc2C[C@@H](C)[NH3+])on1 ZINC000037724394 178050599 /nfs/dbraw/zinc/05/05/99/178050599.db2.gz LZIWONADRWSEGK-SNVBAGLBSA-N 1 0 246.310 2.452 10 0 BEAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccco1 ZINC000396731738 398167335 /nfs/dbraw/zinc/16/73/35/398167335.db2.gz YZFHNUFLWYDRBQ-VWYCJHECSA-N 1 0 208.305 2.071 10 0 BEAERO Cn1cc([C@H]2[NH2+]CC23CCC(F)(F)CC3)cn1 ZINC000536960016 398199268 /nfs/dbraw/zinc/19/92/68/398199268.db2.gz NJKJHEFABOPPFA-SNVBAGLBSA-N 1 0 241.285 2.260 10 0 BEAERO Cc1[nH+]c(-c2ccc(F)cc2C)c(N)n1C ZINC000104849713 178081266 /nfs/dbraw/zinc/08/12/66/178081266.db2.gz UARVZFNNRIGPRA-UHFFFAOYSA-N 1 0 219.263 2.425 10 0 BEAERO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089161322 178087558 /nfs/dbraw/zinc/08/75/58/178087558.db2.gz MNBNBLCTBQNEIQ-TZMCWYRMSA-N 1 0 237.318 2.385 10 0 BEAERO Cc1cc(F)ccc1N1CC[NH2+]C[C@H](C)C1 ZINC000049661400 178088350 /nfs/dbraw/zinc/08/83/50/178088350.db2.gz PXHNQMCULATPFO-JTQLQIEISA-N 1 0 222.307 2.180 10 0 BEAERO Cc1cc(F)ccc1N[C@@H]1CC[N@@H+](C)C1 ZINC000061984673 178091287 /nfs/dbraw/zinc/09/12/87/178091287.db2.gz GOICFBFRLWURIG-LLVKDONJSA-N 1 0 208.280 2.250 10 0 BEAERO C[C@H](C[NH3+])Nc1ccc(F)c(Br)c1 ZINC000159790097 398192821 /nfs/dbraw/zinc/19/28/21/398192821.db2.gz XOYWTGSINKQXMZ-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO Cc1cc(N(C)C)[nH+]c2cc(N)ccc12 ZINC000001871585 178096620 /nfs/dbraw/zinc/09/66/20/178096620.db2.gz LAFRRPGYWLOFST-UHFFFAOYSA-N 1 0 201.273 2.191 10 0 BEAERO CCn1cc([C@H]2[NH2+]CC23CCCCC3)cn1 ZINC000380674327 398196518 /nfs/dbraw/zinc/19/65/18/398196518.db2.gz COBTWUXGHPHDFM-GFCCVEGCSA-N 1 0 219.332 2.498 10 0 BEAERO CCn1cc([C@H]2[NH2+]CC23CCCC3)cn1 ZINC000380071449 398196536 /nfs/dbraw/zinc/19/65/36/398196536.db2.gz IXRGZTBYBLQQCC-LLVKDONJSA-N 1 0 205.305 2.108 10 0 BEAERO COc1ccccc1[C@@H]1C[C@H]2C[NH2+]C[C@H]21 ZINC000308751983 398196543 /nfs/dbraw/zinc/19/65/43/398196543.db2.gz NFDCQXVGLRUBCP-ZMLRMANQSA-N 1 0 203.285 2.018 10 0 BEAERO Cc1cc(N)ccc1NC(=O)[C@@H](C)[N@@H+](C)C(C)C ZINC000019257431 178105950 /nfs/dbraw/zinc/10/59/50/178105950.db2.gz YMZCOQKIUAXPPL-LLVKDONJSA-N 1 0 249.358 2.244 10 0 BEAERO Cc1cc(N)ccc1SC[C@H]1CCC[NH2+]1 ZINC000043497548 178107244 /nfs/dbraw/zinc/10/72/44/178107244.db2.gz NORXKPVAOVMPMJ-LLVKDONJSA-N 1 0 222.357 2.421 10 0 BEAERO Cc1cc(N)ccc1SC[C@@H]1CC[NH2+]C1 ZINC000051891139 178107348 /nfs/dbraw/zinc/10/73/48/178107348.db2.gz NCJGUERNVBRYQZ-SNVBAGLBSA-N 1 0 222.357 2.279 10 0 BEAERO Cc1cc(N2CCCOCC2)ccc1C[C@@H](C)[NH3+] ZINC000104265687 178114190 /nfs/dbraw/zinc/11/41/90/178114190.db2.gz RCTBXALDMLBYRP-CYBMUJFWSA-N 1 0 248.370 2.111 10 0 BEAERO CCC(CC)C(=O)N[C@H](C[NH3+])c1ccccc1 ZINC000104316711 168340459 /nfs/dbraw/zinc/34/04/59/168340459.db2.gz NXTHXVBQOMTNGZ-CYBMUJFWSA-N 1 0 234.343 2.239 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]Cc2ncn(C)n2)CC(C)(C)C1 ZINC000092851212 398206520 /nfs/dbraw/zinc/20/65/20/398206520.db2.gz ZAKOLTPQSPRPKA-GHMZBOCLSA-N 1 0 236.363 2.120 10 0 BEAERO Cc1cc(NC(=O)c2cccc(C[NH3+])c2)ccn1 ZINC000082698010 178150131 /nfs/dbraw/zinc/15/01/31/178150131.db2.gz QJXMZNPSWQXPAI-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO Cc1cc(N[C@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000302314049 178189088 /nfs/dbraw/zinc/18/90/88/178189088.db2.gz PQKVVKGKOHIUHO-JQWIXIFHSA-N 1 0 206.289 2.105 10 0 BEAERO Cc1cc(NC[C@H](C)[NH+]2CCCCC2)nc(C)n1 ZINC000038029311 178168356 /nfs/dbraw/zinc/16/83/56/178168356.db2.gz LBLPRQAMBXNUEQ-LBPRGKRZSA-N 1 0 248.374 2.380 10 0 BEAERO Cc1cc(NN)[nH+]c(C(C)(C)c2ccccc2)n1 ZINC000062773744 178177626 /nfs/dbraw/zinc/17/76/26/178177626.db2.gz SFZHFAMZKWZVPW-UHFFFAOYSA-N 1 0 242.326 2.397 10 0 BEAERO CCC(CC)CN(CC)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111264156 168348853 /nfs/dbraw/zinc/34/88/53/168348853.db2.gz QVZGSHYUTAFPJD-AAEUAGOBSA-N 1 0 240.391 2.127 10 0 BEAERO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]23)ccc1N ZINC000049564624 178182512 /nfs/dbraw/zinc/18/25/12/178182512.db2.gz RJAVKSWWZJLIEZ-ZIAGYGMSSA-N 1 0 231.343 2.226 10 0 BEAERO Cc1cc(N[C@H](CC(C)C)C[NH+](C)C)ncn1 ZINC000049558090 178187270 /nfs/dbraw/zinc/18/72/70/178187270.db2.gz BUSSFNKICQRATO-GFCCVEGCSA-N 1 0 236.363 2.173 10 0 BEAERO Cc1cc(Nc2ccc(CC[NH3+])cc2)ncn1 ZINC000104320750 178191776 /nfs/dbraw/zinc/19/17/76/178191776.db2.gz SFOCRXGLDOWKOW-UHFFFAOYSA-N 1 0 228.299 2.030 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000400496918 398227112 /nfs/dbraw/zinc/22/71/12/398227112.db2.gz FWNIBTUWRPZKDR-UONOGXRCSA-N 1 0 241.375 2.040 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000400496916 398227184 /nfs/dbraw/zinc/22/71/84/398227184.db2.gz FWNIBTUWRPZKDR-KGLIPLIRSA-N 1 0 241.375 2.040 10 0 BEAERO Cc1cc(O)ccc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235706502 178201209 /nfs/dbraw/zinc/20/12/09/178201209.db2.gz VZZPSEXGARXSQC-QWRGUYRKSA-N 1 0 248.326 2.027 10 0 BEAERO Cc1cc(Oc2ccc(CC[NH3+])cc2)ncn1 ZINC000011849414 178214874 /nfs/dbraw/zinc/21/48/74/178214874.db2.gz XOHCQQVVHKHPFP-UHFFFAOYSA-N 1 0 229.283 2.079 10 0 BEAERO Cc1cc(OC[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000011587442 178212619 /nfs/dbraw/zinc/21/26/19/178212619.db2.gz VKDUOJBKBUAHED-LLVKDONJSA-N 1 0 241.718 2.016 10 0 BEAERO Cc1cc(Oc2ccccc2C[C@@H](C)[NH3+])ncn1 ZINC000011849409 178215174 /nfs/dbraw/zinc/21/51/74/178215174.db2.gz PDKVLIUALFRJRQ-SNVBAGLBSA-N 1 0 243.310 2.467 10 0 BEAERO C[C@@](O)(C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000306643492 361781630 /nfs/dbraw/zinc/78/16/30/361781630.db2.gz WUVCPFVBNUCLBO-WDEREUQCSA-N 1 0 211.330 2.098 10 0 BEAERO C[C@@H](Oc1cc(F)ccc1F)[C@H](C)[NH3+] ZINC000070819838 361770969 /nfs/dbraw/zinc/77/09/69/361770969.db2.gz CKMAXERMHHPMNV-NKWVEPMBSA-N 1 0 201.216 2.079 10 0 BEAERO C[C@@H]1CCSCC[N@@H+]1C1CCC(=O)CC1 ZINC000306642809 361772676 /nfs/dbraw/zinc/77/26/76/361772676.db2.gz UVLMQAAPDMOUCE-SNVBAGLBSA-N 1 0 227.373 2.326 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]C(C)(C)C(N)=O)c(C)s1 ZINC000040674391 178222145 /nfs/dbraw/zinc/22/21/45/178222145.db2.gz JPWRDEYLAZYOGU-MRVPVSSYSA-N 1 0 240.372 2.279 10 0 BEAERO Cc1cc([C@@H](CO)[NH2+]C2CC2)c(C)s1 ZINC000049688086 178236165 /nfs/dbraw/zinc/23/61/65/178236165.db2.gz VUWALXLEMQEITQ-LLVKDONJSA-N 1 0 211.330 2.150 10 0 BEAERO Cc1cc([C@@]2(O)CC[N@@H+](C3CC3)C2)ccc1F ZINC000061988352 178244429 /nfs/dbraw/zinc/24/44/29/178244429.db2.gz JNVFCRQZQCKZCC-CQSZACIVSA-N 1 0 235.302 2.190 10 0 BEAERO CCCC[C@H](CC)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000165248765 538935163 /nfs/dbraw/zinc/93/51/63/538935163.db2.gz DCHIGLLCJLLKKM-KBPBESRZSA-N 1 0 242.407 2.266 10 0 BEAERO CCC(CC)C[NH2+]CC[C@H](C)[S@](C)=O ZINC000125038285 168360068 /nfs/dbraw/zinc/36/00/68/168360068.db2.gz SMZWXWLHANZNTQ-IINYFYTJSA-N 1 0 219.394 2.169 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000336775724 398237464 /nfs/dbraw/zinc/23/74/64/398237464.db2.gz ZUJBQMXSZWRNJF-RWMBFGLXSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CCCCO2)c(C)o1 ZINC000050963129 178262306 /nfs/dbraw/zinc/26/23/06/178262306.db2.gz DCHSYWPCUSJMDY-NEPJUHHUSA-N 1 0 209.289 2.465 10 0 BEAERO Cc1cc([C@](C)(O)CC[NH3+])ccc1Cl ZINC000082371363 178267950 /nfs/dbraw/zinc/26/79/50/178267950.db2.gz FLZUTFIGBBHIBY-LLVKDONJSA-N 1 0 213.708 2.205 10 0 BEAERO Cc1cc([C@](C)(O)C[NH2+]C(C)C)ccc1F ZINC000032015060 178268828 /nfs/dbraw/zinc/26/88/28/178268828.db2.gz DYZIUBINAFEKQC-CYBMUJFWSA-N 1 0 225.307 2.340 10 0 BEAERO Cc1cc2[nH]c(C[NH3+])nc2cc1Br ZINC000062152751 178277220 /nfs/dbraw/zinc/27/72/20/178277220.db2.gz ROZUZNCEWSCBBE-UHFFFAOYSA-N 1 0 240.104 2.093 10 0 BEAERO Cc1cc2c(ncnc2NC[C@H]2CCC[NH2+]2)s1 ZINC000104365518 178280904 /nfs/dbraw/zinc/28/09/04/178280904.db2.gz SFVFZUPLUODCSU-SECBINFHSA-N 1 0 248.355 2.164 10 0 BEAERO Cc1cc2c(ncnc2NC[C@@H]2CCC[NH2+]2)s1 ZINC000104365514 178281169 /nfs/dbraw/zinc/28/11/69/178281169.db2.gz SFVFZUPLUODCSU-VIFPVBQESA-N 1 0 248.355 2.164 10 0 BEAERO COc1c(C[NH2+]C[C@@H]2CC=CCC2)c(C)nn1C ZINC000134150327 398240673 /nfs/dbraw/zinc/24/06/73/398240673.db2.gz AYEVJOJPCFPJJU-GFCCVEGCSA-N 1 0 249.358 2.183 10 0 BEAERO Cc1cc2ccccc2nc1N[C@H]1CC[NH2+]C1 ZINC000063106365 178298334 /nfs/dbraw/zinc/29/83/34/178298334.db2.gz MPKZYJRDVNWVLC-LBPRGKRZSA-N 1 0 227.311 2.317 10 0 BEAERO Cc1cc2ncn(CC[C@H](C)[NH3+])c2cc1C ZINC000020429239 178305834 /nfs/dbraw/zinc/30/58/34/178305834.db2.gz LJQPHWVKLPRSED-NSHDSACASA-N 1 0 217.316 2.390 10 0 BEAERO Cc1cc2nc([C@@H](C)C[NH3+])[nH]c2cc1C ZINC000054334385 178303472 /nfs/dbraw/zinc/30/34/72/178303472.db2.gz PQGWTTMQFMAMOX-VIFPVBQESA-N 1 0 203.289 2.242 10 0 BEAERO Cc1cc2c(n1CC[N@@H+](C)C1CC1)CCCC2=O ZINC000062011358 178293262 /nfs/dbraw/zinc/29/32/62/178293262.db2.gz VXKWGZUJXSDYCI-UHFFFAOYSA-N 1 0 246.354 2.410 10 0 BEAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCS1 ZINC000381271671 398249916 /nfs/dbraw/zinc/24/99/16/398249916.db2.gz VSRGFCXRCDNZIB-NEPJUHHUSA-N 1 0 243.416 2.365 10 0 BEAERO Cc1ccc(-c2cc(C)[nH+]c(NN)n2)cc1 ZINC000062203183 178318910 /nfs/dbraw/zinc/31/89/10/178318910.db2.gz CIEFHVOWFXVKLJ-UHFFFAOYSA-N 1 0 214.272 2.046 10 0 BEAERO Cc1ccc(-c2cc(C[NH3+])nc(C)n2)cc1 ZINC000020388384 178320175 /nfs/dbraw/zinc/32/01/75/178320175.db2.gz GTQQQNDVXZZJMW-UHFFFAOYSA-N 1 0 213.284 2.219 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087554 168367334 /nfs/dbraw/zinc/36/73/34/168367334.db2.gz QJBLSEGAIZNFQB-QWRGUYRKSA-N 1 0 226.364 2.151 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000037504891 168367509 /nfs/dbraw/zinc/36/75/09/168367509.db2.gz BIAFAZMZTKJRQI-CQSZACIVSA-N 1 0 248.370 2.203 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000036789523 168367592 /nfs/dbraw/zinc/36/75/92/168367592.db2.gz UQAIEEAGSVYAKN-MNOVXSKESA-N 1 0 226.364 2.022 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055087555 168367599 /nfs/dbraw/zinc/36/75/99/168367599.db2.gz QJBLSEGAIZNFQB-GHMZBOCLSA-N 1 0 226.364 2.151 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000040502173 343996730 /nfs/dbraw/zinc/99/67/30/343996730.db2.gz NBMFTUNBKDOAIX-STQMWFEESA-N 1 0 212.381 2.495 10 0 BEAERO Cc1ccc(-c2ncc(C[C@H](C)[NH3+])cn2)cc1F ZINC000054857659 178338258 /nfs/dbraw/zinc/33/82/58/178338258.db2.gz AXNDVYAPACMBOW-JTQLQIEISA-N 1 0 245.301 2.481 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000036789260 168368145 /nfs/dbraw/zinc/36/81/45/168368145.db2.gz VHDXQQNRPNHNTM-ZDUSSCGKSA-N 1 0 234.343 2.333 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000383266736 398257541 /nfs/dbraw/zinc/25/75/41/398257541.db2.gz ITWAJVFJHXSFKS-CHWSQXEVSA-N 1 0 240.391 2.256 10 0 BEAERO Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000289726436 538946196 /nfs/dbraw/zinc/94/61/96/538946196.db2.gz JVADEMQRWBCUOP-ZYHUDNBSSA-N 1 0 225.311 2.038 10 0 BEAERO Cc1nn(-c2ccc(C)cc2)c(C)c1CC[NH3+] ZINC000041251755 178348276 /nfs/dbraw/zinc/34/82/76/178348276.db2.gz JDIRQZAPVDIOSK-UHFFFAOYSA-N 1 0 229.327 2.299 10 0 BEAERO Cc1ccc(Br)cc1OCC[NH3+] ZINC000076499921 178362359 /nfs/dbraw/zinc/36/23/59/178362359.db2.gz QISRLQVGRWMBSD-UHFFFAOYSA-N 1 0 230.105 2.095 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@@H](C)CC(=O)OC ZINC000042680311 168374254 /nfs/dbraw/zinc/37/42/54/168374254.db2.gz ZCVXRJUSQRLHDR-NSHDSACASA-N 1 0 245.363 2.075 10 0 BEAERO CCC(CC)[N@H+](CCO)[C@@H]1CCCCC[C@@H]1N ZINC000042513321 168374365 /nfs/dbraw/zinc/37/43/65/168374365.db2.gz DGIKIJLDVJATCK-UONOGXRCSA-N 1 0 242.407 2.129 10 0 BEAERO C[N@@H+]1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616612502 349566479 /nfs/dbraw/zinc/56/64/79/349566479.db2.gz DROBPISLOLYALC-LLVKDONJSA-N 1 0 213.284 2.049 10 0 BEAERO CCC(CC)[N@@H+](CCOC)[C@@H](CN)[C@@H](C)CC ZINC000042614960 168374033 /nfs/dbraw/zinc/37/40/33/168374033.db2.gz XRYLSMVXJGJONX-JSGCOSHPSA-N 1 0 244.423 2.497 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCCC2(F)F)[C@@H](C)C[NH2+]1 ZINC000381580605 398264860 /nfs/dbraw/zinc/26/48/60/398264860.db2.gz BNNMUWSWQHFDKU-GRYCIOLGSA-N 1 0 246.345 2.494 10 0 BEAERO [NH3+][C@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381590592 398265210 /nfs/dbraw/zinc/26/52/10/398265210.db2.gz LITLLXCFUNTQPF-QWRGUYRKSA-N 1 0 232.318 2.235 10 0 BEAERO CCC(CC)[N@H+](CCO)C[C@H]1CCCCC1=O ZINC000060720417 168374551 /nfs/dbraw/zinc/37/45/51/168374551.db2.gz CJSQCQKHKAAIPV-GFCCVEGCSA-N 1 0 241.375 2.229 10 0 BEAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000170863197 178395333 /nfs/dbraw/zinc/39/53/33/178395333.db2.gz GFWWBFTUURSTQJ-CYBMUJFWSA-N 1 0 246.354 2.080 10 0 BEAERO COC(=O)c1csc(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000602538832 349604754 /nfs/dbraw/zinc/60/47/54/349604754.db2.gz COSBMMKXVXBKII-XCBNKYQSSA-N 1 0 225.313 2.033 10 0 BEAERO COC(=O)c1csc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000602538830 349604824 /nfs/dbraw/zinc/60/48/24/349604824.db2.gz COSBMMKXVXBKII-GMSGAONNSA-N 1 0 225.313 2.033 10 0 BEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccco1 ZINC000038095478 538964781 /nfs/dbraw/zinc/96/47/81/538964781.db2.gz PVSPACSMLYIPEY-QWRGUYRKSA-N 1 0 209.289 2.499 10 0 BEAERO [NH3+]CCCc1cn2c3c1cccc3CCC2 ZINC000003698511 342736568 /nfs/dbraw/zinc/73/65/68/342736568.db2.gz NVUYIGANIYXKSQ-UHFFFAOYSA-N 1 0 214.312 2.479 10 0 BEAERO CCOc1cc([C@H]2C[C@H](C)C[NH2+]2)ccc1O ZINC000003705294 342736980 /nfs/dbraw/zinc/73/69/80/342736980.db2.gz JJSWTYULFULIFV-GXSJLCMTSA-N 1 0 221.300 2.461 10 0 BEAERO [NH3+][C@H]1COc2c1cc(Cl)cc2Br ZINC000035655138 342754234 /nfs/dbraw/zinc/75/42/34/342754234.db2.gz XCQGMCQQUZKXNJ-ZETCQYMHSA-N 1 0 248.507 2.495 10 0 BEAERO C[C@@H]([NH3+])c1cnc(N2CCC[C@H]2C)s1 ZINC000054863904 398283932 /nfs/dbraw/zinc/28/39/32/398283932.db2.gz FIQHMERAQBIHLL-HTQZYQBOSA-N 1 0 211.334 2.152 10 0 BEAERO Fc1cc2c(cc1C1CCOCC1)C[NH2+]C2 ZINC000145700707 342762846 /nfs/dbraw/zinc/76/28/46/342762846.db2.gz OUDVTUDZUSITED-UHFFFAOYSA-N 1 0 221.275 2.323 10 0 BEAERO CCC(CC)[NH2+]Cc1c(C)nn(C)c1OC ZINC000135054712 168387916 /nfs/dbraw/zinc/38/79/16/168387916.db2.gz IASIXRGUVHMLPX-UHFFFAOYSA-N 1 0 225.336 2.015 10 0 BEAERO CCC(CC)[NH2+]CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000053425635 168388648 /nfs/dbraw/zinc/38/86/48/168388648.db2.gz AONCRBKPKJZCON-UONOGXRCSA-N 1 0 240.391 2.018 10 0 BEAERO [NH3+][C@@H](c1ccncc1)c1ccc(F)c(F)c1 ZINC000008699674 342802543 /nfs/dbraw/zinc/80/25/43/342802543.db2.gz BAVHAHNPJBRMCE-LBPRGKRZSA-N 1 0 220.222 2.408 10 0 BEAERO C[N@@H+]1CCC[C@@H]2c3cccnc3CC[C@@H]21 ZINC000148803626 342792634 /nfs/dbraw/zinc/79/26/34/342792634.db2.gz LVNDFGACOZPSFH-YPMHNXCESA-N 1 0 202.301 2.206 10 0 BEAERO CCN1CC[N@H+](C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255222 342795164 /nfs/dbraw/zinc/79/51/64/342795164.db2.gz CGDOSHBKKLEQKC-RYUDHWBXSA-N 1 0 246.345 2.448 10 0 BEAERO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000378678954 538973244 /nfs/dbraw/zinc/97/32/44/538973244.db2.gz SUKZYLFVWOIXJK-XQQFMLRXSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000378801412 538974439 /nfs/dbraw/zinc/97/44/39/538974439.db2.gz UKUFMJMILKFGGC-QMTHXVAHSA-N 1 0 201.313 2.399 10 0 BEAERO COc1ccc(CNC2=[NH+]CCCS2)cc1 ZINC000008729597 342803839 /nfs/dbraw/zinc/80/38/39/342803839.db2.gz UZFATJOIOKLAFY-UHFFFAOYSA-N 1 0 236.340 2.278 10 0 BEAERO CC(=O)Nc1ccccc1C[NH2+][C@H]1C[C@H]1C ZINC000085573331 398289407 /nfs/dbraw/zinc/28/94/07/398289407.db2.gz SVKZVZOFHPPKCU-RNCFNFMXSA-N 1 0 218.300 2.143 10 0 BEAERO CCC[NH2+][C@H](C)c1cn(C2CCCC2)nn1 ZINC000380974631 538994265 /nfs/dbraw/zinc/99/42/65/538994265.db2.gz BENFFGDALPZOAR-SNVBAGLBSA-N 1 0 222.336 2.454 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382407432 361935322 /nfs/dbraw/zinc/93/53/22/361935322.db2.gz BVFNSEFONHYIHQ-VXGBXAGGSA-N 1 0 248.374 2.448 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382407431 361935554 /nfs/dbraw/zinc/93/55/54/361935554.db2.gz BVFNSEFONHYIHQ-RYUDHWBXSA-N 1 0 248.374 2.448 10 0 BEAERO C[C@@H]([NH2+]Cc1ccccn1)[C@@H]1CCCCO1 ZINC000381448990 539000893 /nfs/dbraw/zinc/00/08/93/539000893.db2.gz GKHJAPGOTHKFSG-YPMHNXCESA-N 1 0 220.316 2.129 10 0 BEAERO c1csc(C[NH2+]C[C@H]2CC23CCOCC3)n1 ZINC000381464393 539001267 /nfs/dbraw/zinc/00/12/67/539001267.db2.gz KTDZBDDKHCEQON-SNVBAGLBSA-N 1 0 238.356 2.049 10 0 BEAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@H]1CO ZINC000381991670 539008014 /nfs/dbraw/zinc/00/80/14/539008014.db2.gz HSMGYEYFIVQBFP-SUZMYJTESA-N 1 0 239.746 2.241 10 0 BEAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@H]1CO ZINC000381991675 539008063 /nfs/dbraw/zinc/00/80/63/539008063.db2.gz HSMGYEYFIVQBFP-XHVZSJERSA-N 1 0 239.746 2.241 10 0 BEAERO CC[C@]1([NH2+]C[C@@H]2Cc3ccccc32)CCOC1 ZINC000383244730 539011483 /nfs/dbraw/zinc/01/14/83/539011483.db2.gz PVEXENULSBHTQK-ZFWWWQNUSA-N 1 0 231.339 2.485 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192547725 538995860 /nfs/dbraw/zinc/99/58/60/538995860.db2.gz CSBNUAKHAAXIRB-SCZZXKLOSA-N 1 0 248.351 2.098 10 0 BEAERO C[C@@H]1C[C@]2(CS1)[NH2+]C[C@@H](C)CS2 ZINC000226587291 342842703 /nfs/dbraw/zinc/84/27/03/342842703.db2.gz YFMNBZORCATZLI-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO Cc1ccsc1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000226587929 342843343 /nfs/dbraw/zinc/84/33/43/342843343.db2.gz RXQLRRCYGBSEGW-SECBINFHSA-N 1 0 241.381 2.334 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1OC(=O)N1CCCCCC1 ZINC000136511846 259324830 /nfs/dbraw/zinc/32/48/30/259324830.db2.gz DWVCFGQPMZDWMS-VXGBXAGGSA-N 1 0 240.347 2.269 10 0 BEAERO Cc1ccc2c(c1)OC1(CC[NH2+]CC1)CC2=O ZINC000011849196 342843742 /nfs/dbraw/zinc/84/37/42/342843742.db2.gz VAONKBWBVAENIS-UHFFFAOYSA-N 1 0 231.295 2.082 10 0 BEAERO Cc1ccncc1N[C@@H](C)[C@H]1CCCO1 ZINC000389730145 539017413 /nfs/dbraw/zinc/01/74/13/539017413.db2.gz SDLBURFQTXHFDD-CMPLNLGQSA-N 1 0 206.289 2.369 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000389985030 539019449 /nfs/dbraw/zinc/01/94/49/539019449.db2.gz LPCSMYXBYGRYTN-PWSUYJOCSA-N 1 0 209.333 2.212 10 0 BEAERO Cc1ccc([C@@H](O)[C@H](C)[NH3+])cc1Br ZINC000164894335 342853845 /nfs/dbraw/zinc/85/38/45/342853845.db2.gz UCGWIPMXQRUODB-XVKPBYJWSA-N 1 0 244.132 2.138 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000134534134 342863114 /nfs/dbraw/zinc/86/31/14/342863114.db2.gz RZRDDCIVXKCNKJ-APPZFPTMSA-N 1 0 215.680 2.200 10 0 BEAERO [NH3+][C@@H]1COc2cc(C(F)(F)F)c(F)cc2C1 ZINC000521399752 398304522 /nfs/dbraw/zinc/30/45/22/398304522.db2.gz BVAVRLXIKIFQOO-LURJTMIESA-N 1 0 235.180 2.107 10 0 BEAERO CC(C)[C@@H]1CCC[C@@]([NH3+])(c2ncc[nH]2)C1 ZINC000521401599 398305226 /nfs/dbraw/zinc/30/52/26/398305226.db2.gz LGWXCSHYQJEQSW-PWSUYJOCSA-N 1 0 207.321 2.410 10 0 BEAERO CS[C@@H]1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000117393720 398311408 /nfs/dbraw/zinc/31/14/08/398311408.db2.gz RWYUTHGVVSMAQF-NWDGAFQWSA-N 1 0 237.372 2.240 10 0 BEAERO C[C@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000406544759 342871350 /nfs/dbraw/zinc/87/13/50/342871350.db2.gz IHOLKOFROGOORH-QMMMGPOBSA-N 1 0 237.303 2.448 10 0 BEAERO CC[C@@H]([NH3+])[C@H]1CSc2ccccc2O1 ZINC000233885726 342894089 /nfs/dbraw/zinc/89/40/89/342894089.db2.gz JMBHWISCXJNGQH-PSASIEDQSA-N 1 0 209.314 2.277 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc(Cl)cs1 ZINC000165286675 342896525 /nfs/dbraw/zinc/89/65/25/342896525.db2.gz VCCCFHCFRKSPQS-NKWVEPMBSA-N 1 0 231.752 2.478 10 0 BEAERO Clc1csc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000165289601 342896886 /nfs/dbraw/zinc/89/68/86/342896886.db2.gz MSOCSHANCJEPQN-ZETCQYMHSA-N 1 0 231.752 2.351 10 0 BEAERO COc1ccc([C@H]([NH3+])c2cccs2)cn1 ZINC000309096886 342890619 /nfs/dbraw/zinc/89/06/19/342890619.db2.gz DEQLJVXFHPJIMO-NSHDSACASA-N 1 0 220.297 2.200 10 0 BEAERO CC[C@@H]1CS[C@@]2(CCC[C@@H](OC)C2)[NH2+]1 ZINC000233939753 342904730 /nfs/dbraw/zinc/90/47/30/342904730.db2.gz DHDDVMXMDHKRRQ-GMTAPVOTSA-N 1 0 215.362 2.387 10 0 BEAERO CC[N@H+](C[C@H](O)COC(C)(C)C)C1CCCC1 ZINC000047967309 342930605 /nfs/dbraw/zinc/93/06/05/342930605.db2.gz FGCPKJITLTUHHI-ZDUSSCGKSA-N 1 0 243.391 2.427 10 0 BEAERO COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000351729050 136249812 /nfs/dbraw/zinc/24/98/12/136249812.db2.gz CDHKORLCDUSSJI-UTUOFQBUSA-N 1 0 225.332 2.058 10 0 BEAERO COc1c(C[NH2+]CCC2(C)CC2)c(C)nn1C ZINC000355111575 398331389 /nfs/dbraw/zinc/33/13/89/398331389.db2.gz HQNDMKJDEJWIQB-UHFFFAOYSA-N 1 0 237.347 2.017 10 0 BEAERO CCN(C(=O)C1CCC([NH3+])CC1)C1CCCC1 ZINC000037626262 398333282 /nfs/dbraw/zinc/33/32/82/398333282.db2.gz RDOIHWODLCITDY-UHFFFAOYSA-N 1 0 238.375 2.295 10 0 BEAERO Cc1nc(C[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000037988826 398335597 /nfs/dbraw/zinc/33/55/97/398335597.db2.gz DTVIAWLPIWYHBT-NSHDSACASA-N 1 0 226.345 2.110 10 0 BEAERO Fc1ccc(CNC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000398342403 398339991 /nfs/dbraw/zinc/33/99/91/398339991.db2.gz HHXMPMYADWLJLW-VIFPVBQESA-N 1 0 242.725 2.178 10 0 BEAERO C[C@H](c1cccs1)N1CC[NH2+]C[C@H]1C ZINC000248091329 398340952 /nfs/dbraw/zinc/34/09/52/398340952.db2.gz VOOFFVZNFWNIFF-NXEZZACHSA-N 1 0 210.346 2.103 10 0 BEAERO CC(C)[C@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000037713844 342943413 /nfs/dbraw/zinc/94/34/13/342943413.db2.gz UCJQOJXAQJWWKF-ZDUSSCGKSA-N 1 0 206.333 2.322 10 0 BEAERO CC(C)N(Cc1nnc(C2CC2)n1C)C1CCC1 ZINC000172664153 398342177 /nfs/dbraw/zinc/34/21/77/398342177.db2.gz SBAMTSKISUCNKV-UHFFFAOYSA-N 1 0 248.374 2.455 10 0 BEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000335768386 398342512 /nfs/dbraw/zinc/34/25/12/398342512.db2.gz DYVXFWXDEKKUEG-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO [NH3+][C@H]1CCc2cc(Cl)cc(Cl)c2[C@@H]1O ZINC000019795453 342957822 /nfs/dbraw/zinc/95/78/22/342957822.db2.gz PUWWJJCITBSBLX-WCBMZHEXSA-N 1 0 232.110 2.300 10 0 BEAERO [NH3+][C@H]1CCCc2cccc(C(F)(F)F)c2[C@H]1O ZINC000019795550 342958219 /nfs/dbraw/zinc/95/82/19/342958219.db2.gz RGCPZIGGAZRYCZ-ONGXEEELSA-N 1 0 245.244 2.402 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282316772 178475628 /nfs/dbraw/zinc/47/56/28/178475628.db2.gz KUJBVCHMJLBQOV-OCCSQVGLSA-N 1 0 246.354 2.060 10 0 BEAERO CCN(CC)CC[NH2+]C[C@H]1CC=CCC1 ZINC000020089693 342968694 /nfs/dbraw/zinc/96/86/94/342968694.db2.gz IZXVBBFLYJWRIA-ZDUSSCGKSA-N 1 0 210.365 2.274 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000040502381 342969518 /nfs/dbraw/zinc/96/95/18/342969518.db2.gz ACFHCAIGGBGGPF-AWEZNQCLSA-N 1 0 218.344 2.261 10 0 BEAERO C[C@H]([NH3+])c1cccc(Oc2ncccn2)c1 ZINC000040542932 342973269 /nfs/dbraw/zinc/97/32/69/342973269.db2.gz QBTMKGIUSIVZOG-VIFPVBQESA-N 1 0 215.256 2.289 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000211779991 343001104 /nfs/dbraw/zinc/00/11/04/343001104.db2.gz KRIBOEIJXHFSQL-DGCLKSJQSA-N 1 0 240.391 2.317 10 0 BEAERO Cc1ccc(C)c(NC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000335128722 178481259 /nfs/dbraw/zinc/48/12/59/178481259.db2.gz DMYSXUNKBSKBDT-NWDGAFQWSA-N 1 0 247.342 2.257 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1nccc2occc21 ZINC000235503351 343047709 /nfs/dbraw/zinc/04/77/09/343047709.db2.gz CGTRKLHRDBBOGK-IUCAKERBSA-N 1 0 219.288 2.366 10 0 BEAERO Cc1ccc(C)c(OCC[NH2+]C2CC2)c1 ZINC000020361149 178488319 /nfs/dbraw/zinc/48/83/19/178488319.db2.gz VWGYEYGNZKODCE-UHFFFAOYSA-N 1 0 205.301 2.434 10 0 BEAERO C[C@H]([NH3+])COc1cccc2c1OC(C)(C)C2 ZINC000023071152 343058155 /nfs/dbraw/zinc/05/81/55/343058155.db2.gz DMYIAMNLERMGNG-VIFPVBQESA-N 1 0 221.300 2.126 10 0 BEAERO CC[C@@H]1CSC(NC[C@H]2CCSC2)=[NH+]1 ZINC000228589095 362006787 /nfs/dbraw/zinc/00/67/87/362006787.db2.gz NBSQGOYCBSLPHG-RKDXNWHRSA-N 1 0 230.402 2.211 10 0 BEAERO CC(C)[C@H]([NH3+])[C@H](O)c1ccccc1Cl ZINC000071518908 362006870 /nfs/dbraw/zinc/00/68/70/362006870.db2.gz CLMNOGRTSYKAIK-WDEREUQCSA-N 1 0 213.708 2.357 10 0 BEAERO CC(=O)Oc1cccc([C@H]2CCC[NH2+]2)c1 ZINC000072201868 343068608 /nfs/dbraw/zinc/06/86/08/343068608.db2.gz QBTBBWUWMJNSBS-GFCCVEGCSA-N 1 0 205.257 2.036 10 0 BEAERO [NH3+][C@@H](CO)c1cccc(OCc2ccccc2)c1 ZINC000072198969 343069230 /nfs/dbraw/zinc/06/92/30/343069230.db2.gz ZJSLKMMZWDWGKU-HNNXBMFYSA-N 1 0 243.306 2.258 10 0 BEAERO C[C@H]1C[C@H](C)CC2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400462051 343078903 /nfs/dbraw/zinc/07/89/03/343078903.db2.gz OXRLYJVDSUWDSD-UWVGGRQHSA-N 1 0 219.332 2.207 10 0 BEAERO Cc1ccc(C)c(OCC[C@@](C)(O)C[NH3+])c1C ZINC000019668301 178490607 /nfs/dbraw/zinc/49/06/07/178490607.db2.gz IKGQYWMSOLBZAM-CQSZACIVSA-N 1 0 237.343 2.090 10 0 BEAERO Cc1nc2ccccc2n1CC[C@@H]1CO1 ZINC000306663564 362020912 /nfs/dbraw/zinc/02/09/12/362020912.db2.gz VWEVIUAOBRMKET-SNVBAGLBSA-N 1 0 202.257 2.134 10 0 BEAERO CNc1c(N)c[nH+]c2ccc(OCC3CC3)cc21 ZINC000584882513 343085173 /nfs/dbraw/zinc/08/51/73/343085173.db2.gz JCYJXJZQLBLJFB-UHFFFAOYSA-N 1 0 243.310 2.069 10 0 BEAERO CCCOc1cccc2c(N)c(N)cnc12 ZINC000584882637 343085198 /nfs/dbraw/zinc/08/51/98/343085198.db2.gz MLSZTEOPNZNZTH-UHFFFAOYSA-N 1 0 217.272 2.188 10 0 BEAERO Cc1cc2c(N)c(N)c[nH+]c2cc1Cl ZINC000584882888 343085685 /nfs/dbraw/zinc/08/56/85/343085685.db2.gz YVXQJZXWCHHDHO-UHFFFAOYSA-N 1 0 207.664 2.191 10 0 BEAERO CCNc1c(N)c[nH+]c2c(C)c(F)ccc12 ZINC000584882778 343085695 /nfs/dbraw/zinc/08/56/95/343085695.db2.gz QXNOCMFDGSLBNS-UHFFFAOYSA-N 1 0 219.263 2.118 10 0 BEAERO CC(C)[NH2+]C[C@H](O)C[C@](C)(O)C1CCCCC1 ZINC000584883490 343086338 /nfs/dbraw/zinc/08/63/38/343086338.db2.gz PZNIFQWASICYOO-KGLIPLIRSA-N 1 0 243.391 2.067 10 0 BEAERO C[NH+]1CCC([C@@H]2Cc3ccccc3C2=O)CC1 ZINC000013449589 343088627 /nfs/dbraw/zinc/08/86/27/343088627.db2.gz MYHFJXQJXDZOAD-AWEZNQCLSA-N 1 0 229.323 2.383 10 0 BEAERO CC[C@@](C)(O)C[NH+]1CCc2ccccc2CC1 ZINC000119423438 343077924 /nfs/dbraw/zinc/07/79/24/343077924.db2.gz VUWCKSWXJWTMLA-OAHLLOKOSA-N 1 0 233.355 2.248 10 0 BEAERO Oc1ccc(SC2CC[NH2+]CC2)cc1 ZINC000043501289 343098462 /nfs/dbraw/zinc/09/84/62/343098462.db2.gz MLSYLAFZGHJHBR-UHFFFAOYSA-N 1 0 209.314 2.236 10 0 BEAERO Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)cn1 ZINC000026514844 343106584 /nfs/dbraw/zinc/10/65/84/343106584.db2.gz QONFVVQUYMJQQR-LLVKDONJSA-N 1 0 221.691 2.122 10 0 BEAERO Cc1nn(C)cc1C[NH2+]CCC1CCCC1 ZINC000125945700 187232518 /nfs/dbraw/zinc/23/25/18/187232518.db2.gz XMUANZLDICAUPS-UHFFFAOYSA-N 1 0 221.348 2.398 10 0 BEAERO Cc1ccoc1CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562957083 323035056 /nfs/dbraw/zinc/03/50/56/323035056.db2.gz UAYVBEQDKOTYBZ-NEPJUHHUSA-N 1 0 222.332 2.066 10 0 BEAERO CC1(C[NH2+][C@@H]2CCCC[C@H]2O)CCCC1 ZINC000082625518 362071751 /nfs/dbraw/zinc/07/17/51/362071751.db2.gz UCWDESDRIIKHKM-VXGBXAGGSA-N 1 0 211.349 2.460 10 0 BEAERO Cc1cc(O[C@H](C)C(N)=[NH2+])ccc1Cl ZINC000043515855 343115998 /nfs/dbraw/zinc/11/59/98/343115998.db2.gz FYUZIYIIESDFDG-SSDOTTSWSA-N 1 0 212.680 2.352 10 0 BEAERO CCC[C@H](NC(=O)[C@@H](C)[NH2+]C)c1ccccc1 ZINC000049753050 343116812 /nfs/dbraw/zinc/11/68/12/343116812.db2.gz CTHGNDLKDDRCBM-YPMHNXCESA-N 1 0 234.343 2.252 10 0 BEAERO CC[C@H](C(N)=S)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043539519 343132335 /nfs/dbraw/zinc/13/23/35/343132335.db2.gz DKKLYRIJNMYRFW-KXUCPTDWSA-N 1 0 214.378 2.029 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000120895495 343136983 /nfs/dbraw/zinc/13/69/83/343136983.db2.gz ZSFORJCRZLRPQO-ZDUSSCGKSA-N 1 0 226.364 2.071 10 0 BEAERO CCC[C@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000037995932 343143283 /nfs/dbraw/zinc/14/32/83/343143283.db2.gz KKTRBAFPJSAOMP-NSHDSACASA-N 1 0 223.316 2.374 10 0 BEAERO C[C@H]([NH3+])CCC(=O)Nc1cccc2ccncc21 ZINC000131151683 343182793 /nfs/dbraw/zinc/18/27/93/343182793.db2.gz MAJFTSCNXCNSIL-JTQLQIEISA-N 1 0 243.310 2.301 10 0 BEAERO C[NH2+][C@H](C)C(=O)NCC1(CC(C)C)CCCC1 ZINC000094876114 343154113 /nfs/dbraw/zinc/15/41/13/343154113.db2.gz HMLFIDRLCBDOGY-GFCCVEGCSA-N 1 0 240.391 2.317 10 0 BEAERO CC1(C)CCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094327568 343156196 /nfs/dbraw/zinc/15/61/96/343156196.db2.gz ZYJRVNVHQVYYBI-NWDGAFQWSA-N 1 0 238.375 2.071 10 0 BEAERO CC1(C)CCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094327570 343156205 /nfs/dbraw/zinc/15/62/05/343156205.db2.gz ZYJRVNVHQVYYBI-VXGBXAGGSA-N 1 0 238.375 2.071 10 0 BEAERO CC[NH+](CC)CC(=O)NC(C)(CC)CC ZINC000001851811 136273716 /nfs/dbraw/zinc/27/37/16/136273716.db2.gz SBTAYXXUCKSRKC-UHFFFAOYSA-N 1 0 214.353 2.023 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000124890352 343165198 /nfs/dbraw/zinc/16/51/98/343165198.db2.gz BJLQSQNKHQMFHA-JHJVBQTASA-N 1 0 238.375 2.166 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000054073537 488205757 /nfs/dbraw/zinc/20/57/57/488205757.db2.gz YNNZCHADZHXWMJ-RQJHMYQMSA-N 1 0 246.763 2.187 10 0 BEAERO C[C@H]1CCN(c2nc3ccccc3o2)[C@H](C[NH3+])C1 ZINC000261551746 136272542 /nfs/dbraw/zinc/27/25/42/136272542.db2.gz XGFRVQBWPOYMCZ-QWRGUYRKSA-N 1 0 245.326 2.391 10 0 BEAERO COc1ccccc1CNc1cc(N)cc[nH+]1 ZINC000043568289 343172484 /nfs/dbraw/zinc/17/24/84/343172484.db2.gz JWPVXYBAIQGXOM-UHFFFAOYSA-N 1 0 229.283 2.285 10 0 BEAERO Nc1cc[nH+]c(NCCc2cccs2)c1 ZINC000043568414 343173082 /nfs/dbraw/zinc/17/30/82/343173082.db2.gz BKWIWXSUPTZDFS-UHFFFAOYSA-N 1 0 219.313 2.380 10 0 BEAERO C[C@@H](Nc1cc(N)cc[nH+]1)c1cccnc1 ZINC000043568902 343174407 /nfs/dbraw/zinc/17/44/07/343174407.db2.gz TYESFINTJOBUCL-SECBINFHSA-N 1 0 214.272 2.232 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH+]1CCCC1 ZINC000145941403 343197865 /nfs/dbraw/zinc/19/78/65/343197865.db2.gz AVFFLDRDOADVGG-GFCCVEGCSA-N 1 0 203.285 2.475 10 0 BEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC000149884282 323038209 /nfs/dbraw/zinc/03/82/09/323038209.db2.gz MUXRYFSHCZLEER-GFCCVEGCSA-N 1 0 240.391 2.365 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncccc1Cl ZINC000165757101 343212290 /nfs/dbraw/zinc/21/22/90/343212290.db2.gz QJLMCJPXUUIZKY-SFYZADRCSA-N 1 0 213.712 2.273 10 0 BEAERO Cc1nn(Cc2ccsc2)c(C)c1C[NH3+] ZINC000036868381 187249232 /nfs/dbraw/zinc/24/92/32/187249232.db2.gz ZEVUADSHSMIZIO-UHFFFAOYSA-N 1 0 221.329 2.068 10 0 BEAERO CC(C)C[C@H](N)C[N@H+](C)[C@@H](C)C(C)C ZINC000036787575 187249784 /nfs/dbraw/zinc/24/97/84/187249784.db2.gz IUDVKICZHWJTJD-RYUDHWBXSA-N 1 0 200.370 2.336 10 0 BEAERO CC(C)[C@H](C)N(C)c1ncccc1C[NH3+] ZINC000036786384 187250042 /nfs/dbraw/zinc/25/00/42/187250042.db2.gz ZCFQPYBVZRMLEU-JTQLQIEISA-N 1 0 207.321 2.021 10 0 BEAERO CC(C)(C)c1ccc(C[C@](C)(C[NH3+])CO)cc1 ZINC000011978917 187250192 /nfs/dbraw/zinc/25/01/92/187250192.db2.gz MPPKGBNGPNIZMQ-OAHLLOKOSA-N 1 0 235.371 2.484 10 0 BEAERO COc1ccc([C@H](C)[C@H]2C=CC[NH2+]2)cc1 ZINC000238372345 343255643 /nfs/dbraw/zinc/25/56/43/343255643.db2.gz NPFQNACCVMWMTR-GXFFZTMASA-N 1 0 203.285 2.327 10 0 BEAERO C[C@H]1CC(N)=[NH+]N1c1cccc(Cl)c1 ZINC000034090141 343264284 /nfs/dbraw/zinc/26/42/84/343264284.db2.gz CBBMDRWTCCWIAE-ZETCQYMHSA-N 1 0 209.680 2.211 10 0 BEAERO CC(C)(C)c1cccc(OCC[C@@H](O)C[NH3+])c1 ZINC000019668516 187252872 /nfs/dbraw/zinc/25/28/72/187252872.db2.gz CWLDSGWQOHTOGF-GFCCVEGCSA-N 1 0 237.343 2.073 10 0 BEAERO C/C(c1cc(C)no1)=C1/C[NH+]2CCC1CC2 ZINC000013802448 187251301 /nfs/dbraw/zinc/25/13/01/187251301.db2.gz WXVPGWDUSKNVGB-ZRDIBKRKSA-N 1 0 218.300 2.482 10 0 BEAERO CC(C)(O)c1ccc([C@@H](C[NH3+])CC2CC2)cn1 ZINC000217371054 343277068 /nfs/dbraw/zinc/27/70/68/343277068.db2.gz CZKOUYKBXFNMES-GFCCVEGCSA-N 1 0 234.343 2.151 10 0 BEAERO CC(C)[NH2+]CCN1CCC(C(F)(F)F)CC1 ZINC000083879518 136286805 /nfs/dbraw/zinc/28/68/05/136286805.db2.gz QQUGTISKAKBWLV-UHFFFAOYSA-N 1 0 238.297 2.259 10 0 BEAERO Cc1ccc(OCCSCC[NH3+])cc1 ZINC000020399316 187254336 /nfs/dbraw/zinc/25/43/36/187254336.db2.gz LBDCTXRHBSBMJT-UHFFFAOYSA-N 1 0 211.330 2.066 10 0 BEAERO OC[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000038124252 187254719 /nfs/dbraw/zinc/25/47/19/187254719.db2.gz ZYPKEXALBZCKQP-NSHDSACASA-N 1 0 211.692 2.125 10 0 BEAERO Cc1csc(SCCCC[NH3+])n1 ZINC000035724620 343302719 /nfs/dbraw/zinc/30/27/19/343302719.db2.gz JISFWRPVFNDOMW-UHFFFAOYSA-N 1 0 202.348 2.283 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccs1 ZINC000035736825 343303026 /nfs/dbraw/zinc/30/30/26/343303026.db2.gz VWMURHUMHCYYAZ-VHSXEESVSA-N 1 0 240.372 2.299 10 0 BEAERO COc1cccc2c1C(=O)[C@@]1(CCCC[NH2+]1)CC2 ZINC000146588078 343304785 /nfs/dbraw/zinc/30/47/85/343304785.db2.gz YQISCFMBRFGVIB-OAHLLOKOSA-N 1 0 245.322 2.336 10 0 BEAERO O=C1c2ccccc2CC[C@]12CCC[NH2+]C2 ZINC000200702575 343305366 /nfs/dbraw/zinc/30/53/66/343305366.db2.gz XDJIAZZBKPEHGB-AWEZNQCLSA-N 1 0 215.296 2.185 10 0 BEAERO [NH3+]Cc1ccccc1OCC(F)(F)C(F)F ZINC000020352424 187253576 /nfs/dbraw/zinc/25/35/76/187253576.db2.gz XWBARHMJMKUDCS-UHFFFAOYSA-N 1 0 237.196 2.425 10 0 BEAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1ccncc1 ZINC000037992508 343364145 /nfs/dbraw/zinc/36/41/45/343364145.db2.gz YBHTVDVLPUMNLW-ZDUSSCGKSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1cccnc1 ZINC000037992497 343364222 /nfs/dbraw/zinc/36/42/22/343364222.db2.gz IDTDKMHWYJEYBV-ZDUSSCGKSA-N 1 0 216.259 2.463 10 0 BEAERO Cc1ccc(N[C@H]2CCCC[C@H]2[NH3+])nc1 ZINC000038050613 343367714 /nfs/dbraw/zinc/36/77/14/343367714.db2.gz RLBJCCJNCPIJFA-MNOVXSKESA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc(C)c1O ZINC000037166334 343337835 /nfs/dbraw/zinc/33/78/35/343337835.db2.gz WWIDOVUETRUOAH-KGLIPLIRSA-N 1 0 249.354 2.402 10 0 BEAERO COC(=O)CCC[C@@H]([NH3+])c1ccccc1 ZINC000037483809 343346991 /nfs/dbraw/zinc/34/69/91/343346991.db2.gz IXZCCXDCGSTPLB-LLVKDONJSA-N 1 0 207.273 2.030 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000037490856 343347331 /nfs/dbraw/zinc/34/73/31/343347331.db2.gz CDSPVIXXJWCQDG-UONOGXRCSA-N 1 0 219.328 2.388 10 0 BEAERO CCOc1ccc(C[C@H](C)[NH3+])cc1OCC ZINC000037726119 343353149 /nfs/dbraw/zinc/35/31/49/343353149.db2.gz AZDKIWDNHVWQDL-JTQLQIEISA-N 1 0 223.316 2.374 10 0 BEAERO CC(C)[N@H+](C)CCc1nc2cc(N)ccc2[nH]1 ZINC000035659119 187258389 /nfs/dbraw/zinc/25/83/89/187258389.db2.gz GRHXCAROZOYVKM-UHFFFAOYSA-N 1 0 232.331 2.028 10 0 BEAERO CC(C)CC(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757809 187259849 /nfs/dbraw/zinc/25/98/49/187259849.db2.gz OCQIEBBFAIIZRY-UHFFFAOYSA-N 1 0 234.343 2.150 10 0 BEAERO C[C@H]1OCC[C@@H]1c1ccc2c(c1)C[NH2+]C2 ZINC000147808058 343380805 /nfs/dbraw/zinc/38/08/05/343380805.db2.gz BQCBSDHTCZGICW-RNCFNFMXSA-N 1 0 203.285 2.182 10 0 BEAERO CCCC(=O)OC[C@H]1CCC[N@H+](CC)C1 ZINC000039101680 343384049 /nfs/dbraw/zinc/38/40/49/343384049.db2.gz OFPQNOXJKBMDOE-NSHDSACASA-N 1 0 213.321 2.062 10 0 BEAERO [NH3+][C@H]1c2cc(C(F)(F)F)ccc2CCC[C@@H]1O ZINC000039941544 343393881 /nfs/dbraw/zinc/39/38/81/343393881.db2.gz TXQOOWJKBQMOQK-QWRGUYRKSA-N 1 0 245.244 2.402 10 0 BEAERO CC(C)CC1([NH+]2CCNCC2)CCSCC1 ZINC000202390958 343424515 /nfs/dbraw/zinc/42/45/15/343424515.db2.gz GGBQQJNAFFUGCI-UHFFFAOYSA-N 1 0 242.432 2.204 10 0 BEAERO C[N@H+](CC1CC1)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000037925366 187260788 /nfs/dbraw/zinc/26/07/88/187260788.db2.gz YNVPNXALQHDGOT-CABCVRRESA-N 1 0 230.355 2.343 10 0 BEAERO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042956393 343459624 /nfs/dbraw/zinc/45/96/24/343459624.db2.gz WMCBXGLHDYAABK-GMSGAONNSA-N 1 0 244.132 2.484 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1ccc(F)cn1 ZINC000082593056 343450005 /nfs/dbraw/zinc/45/00/05/343450005.db2.gz ONRBKELZEPLZNF-SNVBAGLBSA-N 1 0 211.284 2.006 10 0 BEAERO C[C@@H](CN(C)C)[NH2+]CC1CCC(C)CC1 ZINC000130232947 136372710 /nfs/dbraw/zinc/37/27/10/136372710.db2.gz UUZDNBSCWDJJGG-CPCZMJQVSA-N 1 0 212.381 2.352 10 0 BEAERO Cc1nccc(C[NH2+]CCCC(C)C)n1 ZINC000054790797 136373026 /nfs/dbraw/zinc/37/30/26/136373026.db2.gz RTGAJVHQTDPQMC-UHFFFAOYSA-N 1 0 207.321 2.311 10 0 BEAERO COc1cccc(CN2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258727445 136373840 /nfs/dbraw/zinc/37/38/40/136373840.db2.gz ISIDZKAVJZXIRQ-AWEZNQCLSA-N 1 0 248.370 2.254 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000308953576 346942144 /nfs/dbraw/zinc/94/21/44/346942144.db2.gz YKVHLJSKVFIJGO-MROQNXINSA-N 1 0 210.365 2.105 10 0 BEAERO COc1cc(Br)ccc1CCC[NH3+] ZINC000044281289 343497087 /nfs/dbraw/zinc/49/70/87/343497087.db2.gz OXURAAPXMZEYQC-UHFFFAOYSA-N 1 0 244.132 2.349 10 0 BEAERO CCOC(=O)[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000043615099 343467457 /nfs/dbraw/zinc/46/74/57/343467457.db2.gz WXUFFHBLYVJDHQ-GFCCVEGCSA-N 1 0 235.327 2.318 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H](C)C(=O)N[C@H](C)CC ZINC000251330974 343529081 /nfs/dbraw/zinc/52/90/81/343529081.db2.gz NGBDHGHOWVPXQG-VWYCJHECSA-N 1 0 214.353 2.068 10 0 BEAERO CC[C@H]([NH2+]C[C@](C)(O)CSC)[C@H]1C[C@@H]1C ZINC000321752164 343531992 /nfs/dbraw/zinc/53/19/92/343531992.db2.gz BEHDWIHKPXRAJF-BJDJZHNGSA-N 1 0 231.405 2.125 10 0 BEAERO CCN1c2ccccc2CC[C@H]1CC[NH3+] ZINC000616671151 343534936 /nfs/dbraw/zinc/53/49/36/343534936.db2.gz QNCBADIYNQDVJB-LBPRGKRZSA-N 1 0 204.317 2.177 10 0 BEAERO CC(C)n1cc(C[NH2+]CCO)c2ccccc21 ZINC000045945089 343536214 /nfs/dbraw/zinc/53/62/14/343536214.db2.gz XBRAUPHBVQXXLN-UHFFFAOYSA-N 1 0 232.327 2.304 10 0 BEAERO [NH3+][C@@H](c1cn[nH]c1)c1ccc(Cl)c(F)c1 ZINC000203875191 343547347 /nfs/dbraw/zinc/54/73/47/343547347.db2.gz VTFYYBIAJQLYJM-SNVBAGLBSA-N 1 0 225.654 2.250 10 0 BEAERO CN(C)[C@@H](C[NH2+]C1CCC1)c1ccco1 ZINC000044480237 343502812 /nfs/dbraw/zinc/50/28/12/343502812.db2.gz VQTWTKNOUASCDQ-NSHDSACASA-N 1 0 208.305 2.024 10 0 BEAERO CC(C)[C@@](C)(C[NH3+])N1CCc2sccc2C1 ZINC000041053582 187264292 /nfs/dbraw/zinc/26/42/92/187264292.db2.gz LUBMAKJEXNKBPI-CYBMUJFWSA-N 1 0 238.400 2.480 10 0 BEAERO CC(=O)Nc1cccc(NCCC[NH+](C)C)c1 ZINC000041267265 187265026 /nfs/dbraw/zinc/26/50/26/187265026.db2.gz ULVQKMANDGXHST-UHFFFAOYSA-N 1 0 235.331 2.009 10 0 BEAERO C[C@@]1([C@H]2CCCO2)[NH2+]CCc2ccsc21 ZINC000712512442 537788166 /nfs/dbraw/zinc/78/81/66/537788166.db2.gz KKZAWNUUKFWGOY-PWSUYJOCSA-N 1 0 223.341 2.288 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000037165967 537788851 /nfs/dbraw/zinc/78/88/51/537788851.db2.gz OBOMKWPWORRUKY-NEPJUHHUSA-N 1 0 209.333 2.068 10 0 BEAERO N#Cc1ncccc1-c1cc([C@@H]2CCC[NH2+]2)on1 ZINC000166860114 343579077 /nfs/dbraw/zinc/57/90/77/343579077.db2.gz FKNDCKYVDDZTCY-JTQLQIEISA-N 1 0 240.266 2.033 10 0 BEAERO COC(=O)c1ccc(/C=C/C[NH+](C)C)cc1 ZINC000168902986 343622102 /nfs/dbraw/zinc/62/21/02/343622102.db2.gz DONMYTJZNYWXOF-SNAWJCMRSA-N 1 0 219.284 2.048 10 0 BEAERO C[C@@H]1C[C@]2(CCO1)[NH2+]CCc1ccsc12 ZINC000712542365 537791514 /nfs/dbraw/zinc/79/15/14/537791514.db2.gz IJNGSVLVEUKAJW-SKDRFNHKSA-N 1 0 223.341 2.288 10 0 BEAERO Cc1cc(C)n(-c2ccc(C[C@@H](C)[NH3+])cc2)n1 ZINC000044463301 187268149 /nfs/dbraw/zinc/26/81/49/187268149.db2.gz ACEXRUBTIDJZIK-SNVBAGLBSA-N 1 0 229.327 2.379 10 0 BEAERO COc1ccc(Cl)c(N2CC[C@@H](C[NH3+])C2)c1 ZINC000043318068 187267029 /nfs/dbraw/zinc/26/70/29/187267029.db2.gz OGDHCMUYHUAIEC-VIFPVBQESA-N 1 0 240.734 2.134 10 0 BEAERO CC1(C)C[C@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712562581 537792128 /nfs/dbraw/zinc/79/21/28/537792128.db2.gz JAMDLYXEPSRQAS-GFCCVEGCSA-N 1 0 223.341 2.288 10 0 BEAERO COC(C)(C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712559654 537792345 /nfs/dbraw/zinc/79/23/45/537792345.db2.gz YDULVSQWKSKOKM-SNVBAGLBSA-N 1 0 211.330 2.360 10 0 BEAERO C[C@H]1C[C@@]2(CCO1)[NH2+]CCc1ccsc12 ZINC000712542363 537792386 /nfs/dbraw/zinc/79/23/86/537792386.db2.gz IJNGSVLVEUKAJW-JOYOIKCWSA-N 1 0 223.341 2.288 10 0 BEAERO CC[C@@H](OC)[C@H]1[NH2+]CCc2ccsc21 ZINC000712559373 537793188 /nfs/dbraw/zinc/79/31/88/537793188.db2.gz QZKJMTUIVXGEIR-NXEZZACHSA-N 1 0 211.330 2.360 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](CCC3CCC3)C[C@H]2C1 ZINC000399075659 488226705 /nfs/dbraw/zinc/22/67/05/488226705.db2.gz MOWZNMQZTLMUPX-MGPQQGTHSA-N 1 0 223.360 2.269 10 0 BEAERO Cc1nn(C)cc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712536723 537790118 /nfs/dbraw/zinc/79/01/18/537790118.db2.gz IBHANMQBJXJERT-NSHDSACASA-N 1 0 233.340 2.025 10 0 BEAERO CCOCCCC[NH2+]CCSCC ZINC000053616398 346949318 /nfs/dbraw/zinc/94/93/18/346949318.db2.gz UHVRIJIUGJKZJO-UHFFFAOYSA-N 1 0 205.367 2.146 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@]1(C)CCCS1 ZINC000379855604 343640821 /nfs/dbraw/zinc/64/08/21/343640821.db2.gz BXPUATJNNSJAIJ-PWSUYJOCSA-N 1 0 231.405 2.269 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]CC1=CCCCC1 ZINC000379865938 343643526 /nfs/dbraw/zinc/64/35/26/343643526.db2.gz MSDCCJRUHIRYPL-CQSZACIVSA-N 1 0 241.375 2.254 10 0 BEAERO Cc1ccc(C[NH3+])c(Oc2cccnc2)n1 ZINC000043396381 178562138 /nfs/dbraw/zinc/56/21/38/178562138.db2.gz PGESLKIPPZGPDR-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO CC1(C[NH2+]Cc2ccnc3ccccc23)COC1 ZINC000083523120 343624739 /nfs/dbraw/zinc/62/47/39/343624739.db2.gz YTGSOMLZCFSYBZ-UHFFFAOYSA-N 1 0 242.322 2.361 10 0 BEAERO COC(C)(C)C[C@H]1[NH2+]C[C@@H](C)CS1 ZINC000234656736 343627517 /nfs/dbraw/zinc/62/75/17/343627517.db2.gz OPHADAUENBYTOI-BDAKNGLRSA-N 1 0 203.351 2.100 10 0 BEAERO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(C)C ZINC000178291890 346950806 /nfs/dbraw/zinc/95/08/06/346950806.db2.gz YZDOOOULNLIRFO-ZDUSSCGKSA-N 1 0 221.348 2.312 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CCC3CCC3)C[C@@H]2C1 ZINC000399075658 488227149 /nfs/dbraw/zinc/22/71/49/488227149.db2.gz MOWZNMQZTLMUPX-MELADBBJSA-N 1 0 223.360 2.269 10 0 BEAERO [NH3+][C@@H]1CCc2[nH]c3c4cc[nH]c4ccc3c2C1 ZINC000196270761 343629940 /nfs/dbraw/zinc/62/99/40/343629940.db2.gz OZAKODRFPODXQG-MRVPVSSYSA-N 1 0 225.295 2.465 10 0 BEAERO COC(=O)C[C@@](C)([NH3+])c1cccc(Cl)c1 ZINC000086851529 343631124 /nfs/dbraw/zinc/63/11/24/343631124.db2.gz HCLPAOARYVKXGO-LLVKDONJSA-N 1 0 227.691 2.077 10 0 BEAERO CC[C@@H]1CC[N@H+](Cc2nnc(C)n2C2CC2)C1 ZINC000125912675 343670779 /nfs/dbraw/zinc/67/07/79/343670779.db2.gz VPXSPRPHJVOSRY-LLVKDONJSA-N 1 0 234.347 2.153 10 0 BEAERO CC[C@H]1CC[N@H+](Cc2nnc(C)n2C2CC2)C1 ZINC000125912901 343670939 /nfs/dbraw/zinc/67/09/39/343670939.db2.gz VPXSPRPHJVOSRY-NSHDSACASA-N 1 0 234.347 2.153 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](C/C=C/Cl)CC2 ZINC000088023418 343693614 /nfs/dbraw/zinc/69/36/14/343693614.db2.gz YFFFRCZWKOHWOI-UEUCCFLYSA-N 1 0 229.751 2.366 10 0 BEAERO CC(C)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023399 343693726 /nfs/dbraw/zinc/69/37/26/343693726.db2.gz NMOYPMNQAPYZNO-CHWSQXEVSA-N 1 0 211.349 2.269 10 0 BEAERO CC[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023413 343693785 /nfs/dbraw/zinc/69/37/85/343693785.db2.gz DISMFCPZFZEBAW-YNEHKIRRSA-N 1 0 211.349 2.412 10 0 BEAERO CC[N@@H+]1CC[C@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616613421 349837264 /nfs/dbraw/zinc/83/72/64/349837264.db2.gz JRLMIXDZJBZMEE-ZDUSSCGKSA-N 1 0 232.327 2.454 10 0 BEAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccn1 ZINC000049195685 187270048 /nfs/dbraw/zinc/27/00/48/187270048.db2.gz GHNVCADAYLPREW-JSGCOSHPSA-N 1 0 235.375 2.318 10 0 BEAERO [NH3+]C[C@@H](c1ccccc1)[C@@H]1CCSC1 ZINC000107149217 343706247 /nfs/dbraw/zinc/70/62/47/343706247.db2.gz VZTJRUNIEQAXBK-NEPJUHHUSA-N 1 0 207.342 2.482 10 0 BEAERO CC(C)(C)c1ccc(COC(=O)CC[NH3+])cc1 ZINC000049827592 187270115 /nfs/dbraw/zinc/27/01/15/187270115.db2.gz FQARYDWKIOXUDE-UHFFFAOYSA-N 1 0 235.327 2.376 10 0 BEAERO CC(C)Cc1ccc(C2(C[NH3+])OCCO2)cc1 ZINC000049827626 187270491 /nfs/dbraw/zinc/27/04/91/187270491.db2.gz XESGBIPUTSDTIE-UHFFFAOYSA-N 1 0 235.327 2.043 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@](C)(C[NH3+])C2)n1 ZINC000232784205 537806408 /nfs/dbraw/zinc/80/64/08/537806408.db2.gz ANHAOHQBKJNWBK-CQSZACIVSA-N 1 0 248.374 2.084 10 0 BEAERO C[C@H](CC(=O)N1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000082628913 133504261 /nfs/dbraw/zinc/50/42/61/133504261.db2.gz XZHNNYGJLIVZIM-MNOVXSKESA-N 1 0 226.364 2.008 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000232783865 537806457 /nfs/dbraw/zinc/80/64/57/537806457.db2.gz ANHAOHQBKJNWBK-AWEZNQCLSA-N 1 0 248.374 2.084 10 0 BEAERO [NH3+]C1CCC(OCOCc2ccccc2)CC1 ZINC000230079034 343723019 /nfs/dbraw/zinc/72/30/19/343723019.db2.gz FHYFKAOQBOGALV-UHFFFAOYSA-N 1 0 235.327 2.447 10 0 BEAERO CC(C)=CCN1CCC([NH2+][C@@H]2C[C@@H]2C)CC1 ZINC000052274475 187271404 /nfs/dbraw/zinc/27/14/04/187271404.db2.gz AHTNDRQGIWUOSE-GXTWGEPZSA-N 1 0 222.376 2.415 10 0 BEAERO CC(C)(C)c1ccc([C@@H]([NH3+])[C@@H]2COCCO2)cc1 ZINC000055298813 187272455 /nfs/dbraw/zinc/27/24/55/187272455.db2.gz VBSGYLCHKPQABM-UONOGXRCSA-N 1 0 249.354 2.399 10 0 BEAERO C[C@@H]1CCCCN1c1cc(N)[nH+]c(C2CC2)n1 ZINC000126858689 343786656 /nfs/dbraw/zinc/78/66/56/343786656.db2.gz NNWSRUQEKHUIMB-SECBINFHSA-N 1 0 232.331 2.315 10 0 BEAERO CNc1cc(N2C[C@H](C)C[C@H](C)C2)nc(C)[nH+]1 ZINC000127843674 343787925 /nfs/dbraw/zinc/78/79/25/343787925.db2.gz QYBNMRYAZRJWRY-AOOOYVTPSA-N 1 0 234.347 2.309 10 0 BEAERO C1C[C@H](c2noc(C3CCCCC3)n2)C[NH2+]1 ZINC000215897427 343792382 /nfs/dbraw/zinc/79/23/82/343792382.db2.gz BUKZAWZUMGEUEI-JTQLQIEISA-N 1 0 221.304 2.194 10 0 BEAERO c1ccc2c(c1)CC[C@H]2OC1CC[NH2+]CC1 ZINC000231562917 343794075 /nfs/dbraw/zinc/79/40/75/343794075.db2.gz AWGVHXGJTWAURY-CQSZACIVSA-N 1 0 217.312 2.443 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccccc1 ZINC000062188858 187273324 /nfs/dbraw/zinc/27/33/24/187273324.db2.gz CGVSQTRGDNKLBZ-TZMCWYRMSA-N 1 0 248.370 2.107 10 0 BEAERO [NH3+][C@H]1CC[C@H](Oc2cnc3ccccc3n2)CC1 ZINC000299911109 343796910 /nfs/dbraw/zinc/79/69/10/343796910.db2.gz SZMQYJFRFKAUIY-XYPYZODXSA-N 1 0 243.310 2.279 10 0 BEAERO CN(C)c1ccc([C@H]2C[NH2+]C[C@@H]2CF)cc1 ZINC000409421972 343811995 /nfs/dbraw/zinc/81/19/95/343811995.db2.gz ARFMLVDSIVEQAW-WCQYABFASA-N 1 0 222.307 2.025 10 0 BEAERO CC(C)([NH3+])Cc1cncc(Br)c1 ZINC000159022879 346979664 /nfs/dbraw/zinc/97/96/64/346979664.db2.gz OWXMUXKMVQKONM-UHFFFAOYSA-N 1 0 229.121 2.124 10 0 BEAERO CCc1noc([C@@H]2C[NH2+]CC23CCCCC3)n1 ZINC000409422382 343813161 /nfs/dbraw/zinc/81/31/61/343813161.db2.gz DGTSBGYJZSGIKC-JTQLQIEISA-N 1 0 235.331 2.269 10 0 BEAERO CCOc1cccc([C@H]2C[NH2+]C[C@H]2CF)c1 ZINC000409423707 343815968 /nfs/dbraw/zinc/81/59/68/343815968.db2.gz UIWLSRHZLVRUGQ-DGCLKSJQSA-N 1 0 223.291 2.358 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CCC=CO1 ZINC000070528347 187274952 /nfs/dbraw/zinc/27/49/52/187274952.db2.gz PQBZICJNCKEXGM-YPMHNXCESA-N 1 0 231.295 2.402 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCCC[C@H](C)C1 ZINC000187916641 259371029 /nfs/dbraw/zinc/37/10/29/259371029.db2.gz DGWKWPYLZHBTFR-NSHDSACASA-N 1 0 236.363 2.228 10 0 BEAERO C[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071209103 187275368 /nfs/dbraw/zinc/27/53/68/187275368.db2.gz RPCJUKPNYFOKQY-FRRDWIJNSA-N 1 0 238.375 2.214 10 0 BEAERO CCCCN(CC(=[NH2+])NO)Cc1ccccc1 ZINC000409429220 343805312 /nfs/dbraw/zinc/80/53/12/343805312.db2.gz QFCMITUCFJIYIK-UHFFFAOYSA-N 1 0 235.331 2.245 10 0 BEAERO [NH3+]Cc1c(C2CCC2)[nH]nc1C1CCOCC1 ZINC000409439913 343853347 /nfs/dbraw/zinc/85/33/47/343853347.db2.gz KUAFBYISEQOPJH-UHFFFAOYSA-N 1 0 235.331 2.030 10 0 BEAERO [NH3+]CCc1c(-c2ccoc2)n[nH]c1C1CC1 ZINC000409439886 343853464 /nfs/dbraw/zinc/85/34/64/343853464.db2.gz KGVFJRWNBUEHKO-UHFFFAOYSA-N 1 0 217.272 2.048 10 0 BEAERO CC(C)c1[nH]nc(C(F)(F)F)c1CC[NH3+] ZINC000409440107 343854647 /nfs/dbraw/zinc/85/46/47/343854647.db2.gz RVRHOKYOTWMYBW-UHFFFAOYSA-N 1 0 221.226 2.053 10 0 BEAERO Cc1cccc(C(C)C)c1NC[C@@H](O)CC[NH3+] ZINC000071547478 187276105 /nfs/dbraw/zinc/27/61/05/187276105.db2.gz NWTHMVLVWJKKKK-LBPRGKRZSA-N 1 0 236.359 2.240 10 0 BEAERO [NH3+]Cc1cc(-c2c(F)cccc2Cl)ncn1 ZINC000409436638 343839410 /nfs/dbraw/zinc/83/94/10/343839410.db2.gz OOSOBSBJYHEPSM-UHFFFAOYSA-N 1 0 237.665 2.395 10 0 BEAERO CC[C@H](c1ccccc1)c1cc(C[NH3+])ncn1 ZINC000409436592 343839415 /nfs/dbraw/zinc/83/94/15/343839415.db2.gz LOOUDNHFXOQETM-CYBMUJFWSA-N 1 0 227.311 2.477 10 0 BEAERO CC[C@@H](c1ccccc1)c1cc(C[NH3+])ncn1 ZINC000409436593 343839497 /nfs/dbraw/zinc/83/94/97/343839497.db2.gz LOOUDNHFXOQETM-ZDUSSCGKSA-N 1 0 227.311 2.477 10 0 BEAERO O=c1cc(-c2ccsc2)[n-]n1C[C@@H]1CCC[NH2+]1 ZINC000409436867 343841173 /nfs/dbraw/zinc/84/11/73/343841173.db2.gz BRZTUSAZDJKXGG-JTQLQIEISA-N 1 0 249.339 2.069 10 0 BEAERO CC(C)n1nc([C@@H]2CCC[NH2+]C2)c2c1CCC2 ZINC000409436786 343841199 /nfs/dbraw/zinc/84/11/99/343841199.db2.gz AOMFFMDEJOHVBX-LLVKDONJSA-N 1 0 233.359 2.420 10 0 BEAERO Cc1nc(C[NH3+])cc([C@@H](C)c2ccccc2)n1 ZINC000409437114 343842398 /nfs/dbraw/zinc/84/23/98/343842398.db2.gz CCRUKYHORCYFRD-JTQLQIEISA-N 1 0 227.311 2.396 10 0 BEAERO c1coc(-c2cnn(CC3CC[NH2+]CC3)c2)c1 ZINC000409438503 343844292 /nfs/dbraw/zinc/84/42/92/343844292.db2.gz LREJPNZNVMLNSS-UHFFFAOYSA-N 1 0 231.299 2.143 10 0 BEAERO Cc1[nH]nc(-c2ccccc2)c1CCC(N)=[NH2+] ZINC000409438729 343845248 /nfs/dbraw/zinc/84/52/48/343845248.db2.gz FJFJFSCKQRYRKJ-UHFFFAOYSA-N 1 0 228.299 2.254 10 0 BEAERO C[N@@H+]1C[C@H](CO)C[C@@H]1c1ccccc1Cl ZINC000409438922 343846065 /nfs/dbraw/zinc/84/60/65/343846065.db2.gz FACRMOQYPDSYGX-BXKDBHETSA-N 1 0 225.719 2.325 10 0 BEAERO C[C@@H]1SCCS[C@@H]1[C@H]([NH3+])CC1CC1 ZINC000159049162 346991046 /nfs/dbraw/zinc/99/10/46/346991046.db2.gz RPILGRKSAZJJRU-SFGNSQDASA-N 1 0 217.403 2.351 10 0 BEAERO Cc1ccc(-c2cc(C[NH3+])nc(C)n2)cc1F ZINC000409439378 343847325 /nfs/dbraw/zinc/84/73/25/343847325.db2.gz RNGXTEMTSUAYMK-UHFFFAOYSA-N 1 0 231.274 2.358 10 0 BEAERO [NH3+]CCn1nc(-c2ccsc2)c2c1CCCC2 ZINC000409439644 343847817 /nfs/dbraw/zinc/84/78/17/343847817.db2.gz PXDPEDSOIWGDJP-UHFFFAOYSA-N 1 0 247.367 2.449 10 0 BEAERO CC(C)Cc1[nH]nc(C2CC2)c1CCC(N)=[NH2+] ZINC000409437993 343849227 /nfs/dbraw/zinc/84/92/27/343849227.db2.gz BMACETHUBAZHRR-UHFFFAOYSA-N 1 0 234.347 2.354 10 0 BEAERO CC[C@@H]([NH2+]Cc1ncccn1)C(C)(C)C ZINC000309206057 346991975 /nfs/dbraw/zinc/99/19/75/346991975.db2.gz SAYYAPSRRHPSOZ-SNVBAGLBSA-N 1 0 207.321 2.391 10 0 BEAERO C[NH2+][C@H]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000409440299 343851883 /nfs/dbraw/zinc/85/18/83/343851883.db2.gz KNILMTLVOPFDSZ-IUCAKERBSA-N 1 0 209.293 2.049 10 0 BEAERO C[NH2+]CCCc1cnn(Cc2ccccc2F)c1 ZINC000575623308 343875823 /nfs/dbraw/zinc/87/58/23/343875823.db2.gz HUTPCOLNPARWIQ-UHFFFAOYSA-N 1 0 247.317 2.223 10 0 BEAERO Cc1ccnc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000328153334 537829078 /nfs/dbraw/zinc/82/90/78/537829078.db2.gz FZKZOOOPLFSJCQ-HIFRSBDPSA-N 1 0 245.370 2.059 10 0 BEAERO c1csc(-c2ccn(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000409441728 343860530 /nfs/dbraw/zinc/86/05/30/343860530.db2.gz SXMHWRKRVROADH-JTQLQIEISA-N 1 0 233.340 2.364 10 0 BEAERO [NH3+]CCn1nc(-c2cccs2)c2c1CCC2 ZINC000409441734 343860588 /nfs/dbraw/zinc/86/05/88/343860588.db2.gz ZTESWCFWFSBTNH-UHFFFAOYSA-N 1 0 233.340 2.059 10 0 BEAERO CC(C)n1nc(-c2ccccn2)cc1CC[NH3+] ZINC000409443876 343863525 /nfs/dbraw/zinc/86/35/25/343863525.db2.gz VXBUZWJDXJOPTM-UHFFFAOYSA-N 1 0 230.315 2.027 10 0 BEAERO CCc1cc(C(F)(F)F)nn1[C@H]1CCC[NH2+]C1 ZINC000409443243 343866859 /nfs/dbraw/zinc/86/68/59/343866859.db2.gz JRGZEDVLYDXBGR-VIFPVBQESA-N 1 0 247.264 2.389 10 0 BEAERO C[NH2+]Cc1cc(-c2ccncc2)nn1C(C)C ZINC000409443393 343867180 /nfs/dbraw/zinc/86/71/80/343867180.db2.gz MCWVJYHSPVNGPN-UHFFFAOYSA-N 1 0 230.315 2.245 10 0 BEAERO Cc1cc(C(F)(F)F)nn1C[C@@H]1CCCC[NH2+]1 ZINC000409443547 343867608 /nfs/dbraw/zinc/86/76/08/343867608.db2.gz PEUJSADCMBJUQN-VIFPVBQESA-N 1 0 247.264 2.352 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000075906538 187278666 /nfs/dbraw/zinc/27/86/66/187278666.db2.gz DVZNIDZTOLZKRG-CYBMUJFWSA-N 1 0 232.327 2.454 10 0 BEAERO CC(C)(C)[C@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000040459680 187354669 /nfs/dbraw/zinc/35/46/69/187354669.db2.gz NVQMLZHRTHILJC-LLVKDONJSA-N 1 0 226.364 2.056 10 0 BEAERO Cc1ccsc1[C@H](C)N1CC[NH2+]CC1 ZINC000022129282 343908160 /nfs/dbraw/zinc/90/81/60/343908160.db2.gz VAUINVNKWKXDAP-JTQLQIEISA-N 1 0 210.346 2.023 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1N ZINC000042825343 178610439 /nfs/dbraw/zinc/61/04/39/178610439.db2.gz RDRCDVQOZUANSC-ZDUSSCGKSA-N 1 0 234.343 2.236 10 0 BEAERO c1cn2c(n1)CC[C@H]([NH2+]Cc1ccsc1)C2 ZINC000309640941 343938964 /nfs/dbraw/zinc/93/89/64/343938964.db2.gz UNVWBRFMQSBFSR-NSHDSACASA-N 1 0 233.340 2.049 10 0 BEAERO CC(C)C[C@H](CCC[NH3+])C(=O)N1CCCC1 ZINC000076612335 187279332 /nfs/dbraw/zinc/27/93/32/187279332.db2.gz HZDRGDVJYKWFMP-LBPRGKRZSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](c2cccc(N)c2)C1 ZINC000220073802 343918166 /nfs/dbraw/zinc/91/81/66/343918166.db2.gz MNGHMARFACJPIY-LBPRGKRZSA-N 1 0 204.317 2.467 10 0 BEAERO CC(=O)C(C)(C)C[N@@H+]1CCSC(C)(C)C1 ZINC000135216960 343971398 /nfs/dbraw/zinc/97/13/98/343971398.db2.gz LCVFUUHNUZKMBG-UHFFFAOYSA-N 1 0 229.389 2.429 10 0 BEAERO C[NH2+][C@H]1CCC[C@@H](Sc2ncco2)C1 ZINC000234489506 343974491 /nfs/dbraw/zinc/97/44/91/343974491.db2.gz DWBIYYJRDXPSER-DTWKUNHWSA-N 1 0 212.318 2.297 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC1CCCCCC1 ZINC000077488151 187280603 /nfs/dbraw/zinc/28/06/03/187280603.db2.gz VGPOHXQLSVIKEH-NSHDSACASA-N 1 0 226.364 2.199 10 0 BEAERO CCC[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC000082926144 362271468 /nfs/dbraw/zinc/27/14/68/362271468.db2.gz BXEHXSDQYIJADL-CYBMUJFWSA-N 1 0 204.317 2.043 10 0 BEAERO COc1ccc([C@@H](C)[C@H](C)C[NH3+])cc1OC ZINC000082362354 187282043 /nfs/dbraw/zinc/28/20/43/187282043.db2.gz XFAVKWWTLRRVOA-ZJUUUORDSA-N 1 0 223.316 2.402 10 0 BEAERO COc1cc(C)cc(C)c1[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000083266766 187284499 /nfs/dbraw/zinc/28/44/99/187284499.db2.gz MAKNPTPDYXCDSA-RISCZKNCSA-N 1 0 235.327 2.097 10 0 BEAERO CC(C)N(CC1CC[NH2+]CC1)C(F)(F)F ZINC000095088184 187286748 /nfs/dbraw/zinc/28/67/48/187286748.db2.gz BCHVVIWVISNLMR-UHFFFAOYSA-N 1 0 224.270 2.216 10 0 BEAERO CSC[C@@H](C)Nc1cc(N)c(C)c[nH+]1 ZINC000127247939 344078877 /nfs/dbraw/zinc/07/88/77/344078877.db2.gz IIMVZGXXALPHPQ-MRVPVSSYSA-N 1 0 211.334 2.136 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000037163635 178632891 /nfs/dbraw/zinc/63/28/91/178632891.db2.gz PPAXWXOMQOPXMH-WDEREUQCSA-N 1 0 225.357 2.450 10 0 BEAERO C1CCC([N@@H+]2CCC[C@H]3COCC[C@@H]32)C1 ZINC000335914844 344085294 /nfs/dbraw/zinc/08/52/94/344085294.db2.gz PVXTYNIIQGOXDA-AAEUAGOBSA-N 1 0 209.333 2.430 10 0 BEAERO C1CCC([N@@H+]2CCC[C@@H]3COCC[C@H]32)C1 ZINC000335914845 344085726 /nfs/dbraw/zinc/08/57/26/344085726.db2.gz PVXTYNIIQGOXDA-DGCLKSJQSA-N 1 0 209.333 2.430 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000335919688 344087095 /nfs/dbraw/zinc/08/70/95/344087095.db2.gz UEVSTUYBTLCFNQ-MNOVXSKESA-N 1 0 249.276 2.484 10 0 BEAERO CC(C)C1(COCc2ccccc2)C[NH2+]C1 ZINC000230091518 344100191 /nfs/dbraw/zinc/10/01/91/344100191.db2.gz SGMWKBWNQYJFBS-UHFFFAOYSA-N 1 0 219.328 2.449 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nnc(C2CCC2)[nH]1 ZINC000616569382 344170455 /nfs/dbraw/zinc/17/04/55/344170455.db2.gz IZHSMQHCNSEJSC-CBAPKCEASA-N 1 0 208.309 2.118 10 0 BEAERO CC(C)(C)c1nc(C[NH3+])ccc1OC1CC1 ZINC000095738011 187287943 /nfs/dbraw/zinc/28/79/43/187287943.db2.gz HZUHFVFRNULETO-UHFFFAOYSA-N 1 0 220.316 2.379 10 0 BEAERO CCCC(=O)N1CC[C@@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616570608 344174012 /nfs/dbraw/zinc/17/40/12/344174012.db2.gz NQOMFLFZGIEKGL-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(C)C ZINC000249745929 362360833 /nfs/dbraw/zinc/36/08/33/362360833.db2.gz ZPBWFDYMOVZCPM-XQQFMLRXSA-N 1 0 239.359 2.449 10 0 BEAERO O=C(O[C@@H]1C[C@H]2CCC[C@@H]1[NH2+]2)c1ccccc1 ZINC000026502867 344147494 /nfs/dbraw/zinc/14/74/94/344147494.db2.gz AKLGENRCHBXEKW-FRRDWIJNSA-N 1 0 231.295 2.126 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nccn1C ZINC000130524650 344222342 /nfs/dbraw/zinc/22/23/42/344222342.db2.gz WCDCWTGAHWPVAY-MNOVXSKESA-N 1 0 207.321 2.088 10 0 BEAERO CC[C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C[C@H]1[NH3+] ZINC000616572115 344182649 /nfs/dbraw/zinc/18/26/49/344182649.db2.gz UUOMWAKNKDGVFL-QJPTWQEYSA-N 1 0 240.391 2.254 10 0 BEAERO O=C1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccccc1)C2 ZINC000084310733 344190892 /nfs/dbraw/zinc/19/08/92/344190892.db2.gz WGWTUZFDBXXSMZ-OKILXGFUSA-N 1 0 229.323 2.488 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C/Cl ZINC000180845392 347041985 /nfs/dbraw/zinc/04/19/85/347041985.db2.gz OIFFEVFWAOCBHP-WBIIUDBISA-N 1 0 228.767 2.298 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400075530 344278563 /nfs/dbraw/zinc/27/85/63/344278563.db2.gz OCBUCINDWPHLGN-FIYWTHMPSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1c2cccc(O)c2CC[C@@H]1[NH+](C)C ZINC000027714405 344291513 /nfs/dbraw/zinc/29/15/13/344291513.db2.gz IDDODLFYOANNAQ-SKDRFNHKSA-N 1 0 205.301 2.372 10 0 BEAERO CC[C@@H]1CN(C[C@H]([NH3+])CC(C)C)CCS1 ZINC000133067023 344313205 /nfs/dbraw/zinc/31/32/05/344313205.db2.gz UCLVNBSPYMTYRA-VXGBXAGGSA-N 1 0 230.421 2.187 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000133137912 344313726 /nfs/dbraw/zinc/31/37/26/344313726.db2.gz RWGRUPSTUBZCAR-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO OCCc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000215287115 344325716 /nfs/dbraw/zinc/32/57/16/344325716.db2.gz CYKDNBOKIVXLER-ZDUSSCGKSA-N 1 0 205.301 2.036 10 0 BEAERO CC(C)(C)[NH2+]C[C@H](O)C1=COc2ccccc2O1 ZINC000028101887 344333318 /nfs/dbraw/zinc/33/33/18/344333318.db2.gz ZGYGPFMXHNKTIY-JTQLQIEISA-N 1 0 249.310 2.048 10 0 BEAERO CCN(CC)C[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061589428 133519098 /nfs/dbraw/zinc/51/90/98/133519098.db2.gz MHNHTTGTHMDZTR-VXGBXAGGSA-N 1 0 230.421 2.202 10 0 BEAERO [NH3+][C@@H]1C[C@]12CCc1c2cccc1Br ZINC000236308193 344354772 /nfs/dbraw/zinc/35/47/72/344354772.db2.gz FHPYTRUVDKROCY-MNOVXSKESA-N 1 0 238.128 2.364 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](CC(=O)c2ccco2)C1 ZINC000158062816 344359240 /nfs/dbraw/zinc/35/92/40/344359240.db2.gz VSHQLNQGZSCENQ-ZJUUUORDSA-N 1 0 207.273 2.193 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncc(Cl)cc1Cl ZINC000385295614 344388710 /nfs/dbraw/zinc/38/87/10/344388710.db2.gz ZEESJZSXWYFTQR-HTRCEHHLSA-N 1 0 246.141 2.314 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncc(Cl)cc1Cl ZINC000385295627 344388795 /nfs/dbraw/zinc/38/87/95/344388795.db2.gz ZEESJZSXWYFTQR-SVRRBLITSA-N 1 0 246.141 2.314 10 0 BEAERO Cc1ccc([C@H](O)C2CC[NH2+]CC2)cc1 ZINC000011630772 344394066 /nfs/dbraw/zinc/39/40/66/344394066.db2.gz GDGAWVYEBYVDJL-ZDUSSCGKSA-N 1 0 205.301 2.028 10 0 BEAERO CNc1cccc([C@@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616602126 344450349 /nfs/dbraw/zinc/45/03/49/344450349.db2.gz SRDGNOXPRQHSEY-CYBMUJFWSA-N 1 0 248.370 2.290 10 0 BEAERO CC(C)C[C@H](N)C[N@H+](CC(C)C)C1CC1 ZINC000042559917 344458263 /nfs/dbraw/zinc/45/82/63/344458263.db2.gz SDMJPONKCLGTER-LBPRGKRZSA-N 1 0 212.381 2.480 10 0 BEAERO CC(C)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105807004 344470247 /nfs/dbraw/zinc/47/02/47/344470247.db2.gz IQLKNOGOBPPSOA-UHFFFAOYSA-N 1 0 248.374 2.033 10 0 BEAERO c1c[nH]c([C@@H]2CCCC[N@H+]2CC2CCOCC2)n1 ZINC000152034598 344476007 /nfs/dbraw/zinc/47/60/07/344476007.db2.gz NXAIPKHPTZIKLO-ZDUSSCGKSA-N 1 0 249.358 2.363 10 0 BEAERO CC(C)Oc1ccc(NC(=O)C[NH3+])cc1Cl ZINC000037042981 344486468 /nfs/dbraw/zinc/48/64/68/344486468.db2.gz BUNQFQVXCSMINB-UHFFFAOYSA-N 1 0 242.706 2.024 10 0 BEAERO C[C@@](F)(C[NH3+])Cc1ccc(F)c(F)c1 ZINC000158221874 344570113 /nfs/dbraw/zinc/57/01/13/344570113.db2.gz RIFAGNNPKWAHNF-JTQLQIEISA-N 1 0 203.207 2.194 10 0 BEAERO CSC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000381653281 344530741 /nfs/dbraw/zinc/53/07/41/344530741.db2.gz SFVGMBWCUWBDBQ-RWMBFGLXSA-N 1 0 243.416 2.365 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN(C)CC(C)(C)C ZINC000045089687 344557856 /nfs/dbraw/zinc/55/78/56/344557856.db2.gz NXRWLGMDWMKYRF-LLVKDONJSA-N 1 0 200.370 2.338 10 0 BEAERO [NH3+]C1CC(F)(c2c(F)cccc2F)C1 ZINC000158162352 344557975 /nfs/dbraw/zinc/55/79/75/344557975.db2.gz USFXEBCUBAUUBC-UHFFFAOYSA-N 1 0 201.191 2.251 10 0 BEAERO Cc1csc(C[C@]2(F)CC[C@@H]([NH3+])C2)n1 ZINC000158289703 344580776 /nfs/dbraw/zinc/58/07/76/344580776.db2.gz FOPJIOGOBXCWJJ-SCZZXKLOSA-N 1 0 214.309 2.214 10 0 BEAERO Cc1ccc(F)cc1-c1nccc(C[C@@H](C)[NH3+])n1 ZINC000054834140 178681153 /nfs/dbraw/zinc/68/11/53/178681153.db2.gz QETIVBSUBPUMQG-SNVBAGLBSA-N 1 0 245.301 2.481 10 0 BEAERO CN(C)c1c(C[NH3+])cccc1OC(F)(F)F ZINC000396117931 344606928 /nfs/dbraw/zinc/60/69/28/344606928.db2.gz GOFSKVYBWSROMF-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO CC[C@]1([C@@H]2CC2(C)C)[NH2+]CCc2nc[nH]c21 ZINC000400399311 537853964 /nfs/dbraw/zinc/85/39/64/537853964.db2.gz SEAWKWRPRJIUPS-ZWNOBZJWSA-N 1 0 219.332 2.207 10 0 BEAERO Cc1ccc(N(C)C[C@@H](C)C[NH3+])c(C)c1 ZINC000049813587 178698576 /nfs/dbraw/zinc/69/85/76/178698576.db2.gz ARFUBIBNWJTMJH-NSHDSACASA-N 1 0 206.333 2.334 10 0 BEAERO CSC[C@@H](C)NC1=[NH+][C@@H](C)CCS1 ZINC000127845481 344666805 /nfs/dbraw/zinc/66/68/05/344666805.db2.gz LVIGVVIUUHTQPU-JGVFFNPUSA-N 1 0 218.391 2.209 10 0 BEAERO Cc1ccc(I)c(C[NH3+])c1 ZINC000098096514 178694454 /nfs/dbraw/zinc/69/44/54/178694454.db2.gz KSZOYIDAKMIBKH-UHFFFAOYSA-N 1 0 247.079 2.058 10 0 BEAERO Cc1cnc(C)c(N(CC[NH3+])C2CCCCC2)n1 ZINC000104318269 187292250 /nfs/dbraw/zinc/29/22/50/187292250.db2.gz IUYCAHSMGPUMQO-UHFFFAOYSA-N 1 0 248.374 2.191 10 0 BEAERO CCc1nccn1-c1ccc(C[C@H](C)[NH3+])cc1F ZINC000104295081 187292400 /nfs/dbraw/zinc/29/24/00/187292400.db2.gz BECRWDXGTIYTOX-JTQLQIEISA-N 1 0 247.317 2.464 10 0 BEAERO CC(C)N(C)c1nc2ccccn2c1C[C@H](C)[NH3+] ZINC000104261944 187292069 /nfs/dbraw/zinc/29/20/69/187292069.db2.gz ANFXSZFCSVZFRU-NSHDSACASA-N 1 0 246.358 2.069 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000348167693 344644589 /nfs/dbraw/zinc/64/45/89/344644589.db2.gz QHAHYYMUMDGJJJ-AGIUHOORSA-N 1 0 243.391 2.331 10 0 BEAERO C[C@@H]1C[C@@H](Nc2nsnc2Cl)CC[N@@H+]1C ZINC000158598324 344687639 /nfs/dbraw/zinc/68/76/39/344687639.db2.gz CECONFHYKQHXGL-RQJHMYQMSA-N 1 0 246.767 2.086 10 0 BEAERO O=C1N[C@H](c2ccccc2)CC[NH2+]C12CCCC2 ZINC000115719739 344714861 /nfs/dbraw/zinc/71/48/61/344714861.db2.gz XYYMOYFZUSLABE-ZDUSSCGKSA-N 1 0 244.338 2.150 10 0 BEAERO Cc1ccc(N2CC[NH2+][C@@H](C)CC2)cc1 ZINC000049661773 178713427 /nfs/dbraw/zinc/71/34/27/178713427.db2.gz NFAQMQTWHFINSR-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO CCC1([NH2+]Cc2ccc(C(N)=O)cc2)CCC1 ZINC000135623961 168497002 /nfs/dbraw/zinc/49/70/02/168497002.db2.gz MYXKIGIAQXEXRB-UHFFFAOYSA-N 1 0 232.327 2.208 10 0 BEAERO Cc1ccc(NC(=O)N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000037541690 178731097 /nfs/dbraw/zinc/73/10/97/178731097.db2.gz GKFFHGJIMVQGSR-CYBMUJFWSA-N 1 0 247.342 2.211 10 0 BEAERO C[C@H]1C[N@H+](CCC(F)(F)F)CCS1 ZINC000077281912 344815103 /nfs/dbraw/zinc/81/51/03/344815103.db2.gz AZUXXDBFLICEPO-ZETCQYMHSA-N 1 0 213.268 2.376 10 0 BEAERO CC(C)(C)[NH2+]Cc1cnc(N)c(Cl)c1 ZINC000166261909 344834735 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/nfs/dbraw/zinc/91/24/89/344912489.db2.gz VPIDPMSPRCWWHC-GFCCVEGCSA-N 1 0 207.342 2.454 10 0 BEAERO C[C@@H](c1csc(Cl)c1)N1CC([NH3+])C1 ZINC000235515763 344929051 /nfs/dbraw/zinc/92/90/51/344929051.db2.gz SEDHUHQWOSXBCL-LURJTMIESA-N 1 0 216.737 2.105 10 0 BEAERO Cc1ncccc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000311071272 344918140 /nfs/dbraw/zinc/91/81/40/344918140.db2.gz LTORAKFNEXLAJZ-AWEZNQCLSA-N 1 0 245.370 2.106 10 0 BEAERO C[C@H](C[NH3+])Nc1ccc(F)cc1Br ZINC000235467500 344921101 /nfs/dbraw/zinc/92/11/01/344921101.db2.gz XAGJNOXZZWIKMC-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO C[C@H](C[NH3+])Nc1ccc(Br)c(F)c1 ZINC000235466192 344921305 /nfs/dbraw/zinc/92/13/05/344921305.db2.gz DKIXSIJZERAMSL-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO C[C@H]1OCC[C@@H]1SC1CCC([NH3+])CC1 ZINC000235617793 344956149 /nfs/dbraw/zinc/95/61/49/344956149.db2.gz PYPBRUYRGPVQOY-SFXRXQKFSA-N 1 0 215.362 2.167 10 0 BEAERO C[C@@H](CCCC(F)(F)F)[NH2+]CC1CC(O)C1 ZINC000166683633 344958329 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/nfs/dbraw/zinc/03/69/76/345036976.db2.gz VBDXWUJIMHAZMP-GHMZBOCLSA-N 1 0 208.305 2.024 10 0 BEAERO C([C@@H]1CCC2(CCCC2)C[NH2+]1)N1CCCC1 ZINC000667582275 537884305 /nfs/dbraw/zinc/88/43/05/537884305.db2.gz PMZDUQHXEQLVID-ZDUSSCGKSA-N 1 0 222.376 2.395 10 0 BEAERO C[C@H](Cc1ncc[nH]1)O[C@H]1C[C@H](C)CCC1=O ZINC000428190181 345078983 /nfs/dbraw/zinc/07/89/83/345078983.db2.gz XMRDPOXURYNPMM-FOGDFJRCSA-N 1 0 236.315 2.115 10 0 BEAERO [NH3+]C1(c2ncc(Br)cc2Cl)CC1 ZINC000238570292 345080521 /nfs/dbraw/zinc/08/05/21/345080521.db2.gz GIXBLTZHWHGHDG-UHFFFAOYSA-N 1 0 247.523 2.445 10 0 BEAERO N[C@H](C[NH3+])c1ccccc1OCc1ccccc1 ZINC000044468992 345084953 /nfs/dbraw/zinc/08/49/53/345084953.db2.gz CADMDHLGOQJMJH-CQSZACIVSA-N 1 0 242.322 2.224 10 0 BEAERO [NH3+]Cc1noc2cc(Br)ccc21 ZINC000238614367 345092845 /nfs/dbraw/zinc/09/28/45/345092845.db2.gz CMNUQAAZOWXGLK-UHFFFAOYSA-N 1 0 227.061 2.049 10 0 BEAERO Cc1ccc(S[C@@H]2CCC[NH2+]C2)nc1 ZINC000095069145 178829324 /nfs/dbraw/zinc/82/93/24/178829324.db2.gz HTWRYHJZLXYMEI-SNVBAGLBSA-N 1 0 208.330 2.234 10 0 BEAERO Cc1ccc(SC[C@H]2CCC[NH2+]2)nc1 ZINC000095069155 178828288 /nfs/dbraw/zinc/82/82/88/178828288.db2.gz NJWFELKTLXSYAH-SNVBAGLBSA-N 1 0 208.330 2.234 10 0 BEAERO Cc1cnn([C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000156231943 345140655 /nfs/dbraw/zinc/14/06/55/345140655.db2.gz BEXIJEGIEVVETC-ZDUSSCGKSA-N 1 0 219.332 2.238 10 0 BEAERO [NH3+]C[C@H](F)Cc1cccc(Br)c1 ZINC000156357063 345152416 /nfs/dbraw/zinc/15/24/16/345152416.db2.gz BGZSRTRBAKXXOU-SECBINFHSA-N 1 0 232.096 2.288 10 0 BEAERO C[C@H](O)C(C)(C)[NH2+]Cc1cnc(C2CC2)s1 ZINC000127136209 345158893 /nfs/dbraw/zinc/15/88/93/345158893.db2.gz VVRBXQDSJDEUEJ-QMMMGPOBSA-N 1 0 240.372 2.270 10 0 BEAERO Nc1cc(NCCC(F)(F)F)cc[nH+]1 ZINC000227660121 345262665 /nfs/dbraw/zinc/26/26/65/345262665.db2.gz XWYMRHKWXLNANO-UHFFFAOYSA-N 1 0 205.183 2.028 10 0 BEAERO CCC(O)(CC)C[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000626112037 345277121 /nfs/dbraw/zinc/27/71/21/345277121.db2.gz LKWHJVILAXWIFY-CHWSQXEVSA-N 1 0 243.391 2.020 10 0 BEAERO CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000158722091 345367982 /nfs/dbraw/zinc/36/79/82/345367982.db2.gz PLOJKKANARBPFS-MJBXVCDLSA-N 1 0 241.375 2.038 10 0 BEAERO [NH3+]CC(=O)Nc1c(Cl)cc(F)cc1Cl ZINC000215577754 345380204 /nfs/dbraw/zinc/38/02/04/345380204.db2.gz RTQKCQRXOQHMDJ-UHFFFAOYSA-N 1 0 237.061 2.030 10 0 BEAERO CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159118398 345410900 /nfs/dbraw/zinc/41/09/00/345410900.db2.gz ICFHSGDYSTXLDW-NWDGAFQWSA-N 1 0 240.391 2.268 10 0 BEAERO Cc1ccc([C@@H]([NH2+]C2CCCC2)C(N)=O)cc1C ZINC000037969107 178863166 /nfs/dbraw/zinc/86/31/66/178863166.db2.gz JKUYLYYFKAAWBV-CQSZACIVSA-N 1 0 246.354 2.362 10 0 BEAERO CCCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158998270 345395619 /nfs/dbraw/zinc/39/56/19/345395619.db2.gz ILPHOXCSAQHMTE-NWDGAFQWSA-N 1 0 226.364 2.022 10 0 BEAERO CCC[C@H](C)C[N@H+](CCC)CC(=O)OC ZINC000051323758 345401644 /nfs/dbraw/zinc/40/16/44/345401644.db2.gz JJBSQYOZMAGSMW-NSHDSACASA-N 1 0 215.337 2.308 10 0 BEAERO Cc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000036157731 178867568 /nfs/dbraw/zinc/86/75/68/178867568.db2.gz DHFVEOTZSLFIOB-QWHCGFSZSA-N 1 0 205.301 2.089 10 0 BEAERO C[C@H]1c2ccccc2C[C@H]1[NH+]1CCOCC1 ZINC000213188649 345481933 /nfs/dbraw/zinc/48/19/33/345481933.db2.gz KPJZLIJJCUHHGC-SMDDNHRTSA-N 1 0 217.312 2.047 10 0 BEAERO CC[C@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000136182735 345485821 /nfs/dbraw/zinc/48/58/21/345485821.db2.gz CWHNGXMULBGIED-FVCCEPFGSA-N 1 0 238.375 2.164 10 0 BEAERO CC(C)(C)[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616693444 345560266 /nfs/dbraw/zinc/56/02/66/345560266.db2.gz RQPIPAOHSHZZLR-ZDUSSCGKSA-N 1 0 233.359 2.292 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1cc(F)ccc1F ZINC000054929341 345565434 /nfs/dbraw/zinc/56/54/34/345565434.db2.gz WOQLZBYKWTVNJV-RYUDHWBXSA-N 1 0 229.270 2.372 10 0 BEAERO Cc1nn(C(F)F)c(C)c1C[NH2+]C(C)C ZINC000040544402 187307535 /nfs/dbraw/zinc/30/75/35/187307535.db2.gz UQJRZPQWUCJTCH-UHFFFAOYSA-N 1 0 217.263 2.393 10 0 BEAERO CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1O ZINC000253258974 345638791 /nfs/dbraw/zinc/63/87/91/345638791.db2.gz HGBZITKGXRUALW-GXTWGEPZSA-N 1 0 237.318 2.419 10 0 BEAERO Cc1ccc([C@H](C[NH3+])OCCOC(C)C)cc1 ZINC000042907020 178904297 /nfs/dbraw/zinc/90/42/97/178904297.db2.gz QVDPFKVXLJTMJN-AWEZNQCLSA-N 1 0 237.343 2.436 10 0 BEAERO Cc1ccc([C@H](C[NH3+])CC(=O)NCC(C)C)cc1 ZINC000057537286 178904419 /nfs/dbraw/zinc/90/44/19/178904419.db2.gz NWAKQBNCKNDHNM-AWEZNQCLSA-N 1 0 248.370 2.200 10 0 BEAERO Cc1cccc([C@H](C)CN[C@H]2CC[NH2+]C2)c1 ZINC000215652184 345742582 /nfs/dbraw/zinc/74/25/82/345742582.db2.gz MXELIPCCEYLUOI-OCCSQVGLSA-N 1 0 218.344 2.050 10 0 BEAERO COC(=O)c1cc(C[NH+]2CCCCC2)ccc1N ZINC000113961712 345755351 /nfs/dbraw/zinc/75/53/51/345755351.db2.gz MVESZUMOHVVVTQ-UHFFFAOYSA-N 1 0 248.326 2.041 10 0 BEAERO C[N@@H+]1CCCC[C@@](CCO)(c2cccc(O)c2)C1 ZINC000114058042 345755597 /nfs/dbraw/zinc/75/55/97/345755597.db2.gz PRKJAKUJSREAEX-HNNXBMFYSA-N 1 0 249.354 2.128 10 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CCOC(=O)N1CC[C@@H]([NH3+])c2ccccc21 ZINC000070601219 345789790 /nfs/dbraw/zinc/78/97/90/345789790.db2.gz UKBDZSBYVQNGRC-SNVBAGLBSA-N 1 0 220.272 2.053 10 0 BEAERO CCc1ccccc1[C@@H](C)C1=[NH+]CCN1 ZINC000114910130 345801877 /nfs/dbraw/zinc/80/18/77/345801877.db2.gz NMBNXDWCJIKWBJ-SNVBAGLBSA-N 1 0 202.301 2.354 10 0 BEAERO CC(C)(C)OC(=O)Cc1cccc(CC[NH3+])c1 ZINC000219758282 345860164 /nfs/dbraw/zinc/86/01/64/345860164.db2.gz UNOXSJZRSLTJBA-UHFFFAOYSA-N 1 0 235.327 2.072 10 0 BEAERO [NH3+]Cc1ccc2c(cnn2[C@@H]2CCCCO2)c1 ZINC000034506208 345829378 /nfs/dbraw/zinc/82/93/78/345829378.db2.gz UZBWPUYQBFLKNT-ZDUSSCGKSA-N 1 0 231.299 2.194 10 0 BEAERO CCC[N@@H+]1Cc2cccc(N)c2NC[C@H]1C ZINC000034492142 345835610 /nfs/dbraw/zinc/83/56/10/345835610.db2.gz UORJFFQIRZRTRA-SNVBAGLBSA-N 1 0 219.332 2.295 10 0 BEAERO C[C@@H]([NH3+])CC(=O)CCCOCc1ccccc1 ZINC000307531556 537922984 /nfs/dbraw/zinc/92/29/84/537922984.db2.gz XPTLCMUWNJWXKH-GFCCVEGCSA-N 1 0 235.327 2.290 10 0 BEAERO CC(C)[NH2+][C@@H]1CCC[C@H]2CCCC[C@@]21O ZINC000144462734 345921229 /nfs/dbraw/zinc/92/12/29/345921229.db2.gz KNUTZXOJTSJYKF-JHJVBQTASA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)C[C@H](C[NH2+][C@H]1CCCSC1)N(C)C ZINC000061572296 187361170 /nfs/dbraw/zinc/36/11/70/187361170.db2.gz UCQBRAJSNFFMGE-QWHCGFSZSA-N 1 0 244.448 2.448 10 0 BEAERO CC(C)CNc1cc(N)[nH+]c(C2CC2)n1 ZINC000087908948 345939891 /nfs/dbraw/zinc/93/98/91/345939891.db2.gz CZPHHXXOMIKNMO-UHFFFAOYSA-N 1 0 206.293 2.004 10 0 BEAERO CNc1cc(N2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000087805984 345941056 /nfs/dbraw/zinc/94/10/56/345941056.db2.gz FMMITGYKQZIDNC-SECBINFHSA-N 1 0 220.320 2.063 10 0 BEAERO Cc1nc(NCCc2cccs2)cc(N)[nH+]1 ZINC000087808264 345941917 /nfs/dbraw/zinc/94/19/17/345941917.db2.gz KHSGRALCOJYILC-UHFFFAOYSA-N 1 0 234.328 2.083 10 0 BEAERO Cc1cc(C)cc([C@H]([NH3+])CC2OCCO2)c1 ZINC000235830847 345944260 /nfs/dbraw/zinc/94/42/60/345944260.db2.gz LJVZWKKCXMUVJK-GFCCVEGCSA-N 1 0 221.300 2.066 10 0 BEAERO CC(C)C[C@@H]1[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000096987057 187363279 /nfs/dbraw/zinc/36/32/79/187363279.db2.gz FABPERNUQJTLQL-WDEREUQCSA-N 1 0 242.363 2.369 10 0 BEAERO CC1(C)C[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000148371532 346035322 /nfs/dbraw/zinc/03/53/22/346035322.db2.gz PQOBJUIKMNOJMP-ZDUSSCGKSA-N 1 0 219.328 2.422 10 0 BEAERO CO[C@@H]1CCc2cccc([C@H](C)C[NH3+])c2C1 ZINC000148523743 346036656 /nfs/dbraw/zinc/03/66/56/346036656.db2.gz VHRHMUHVBFVMHE-ZYHUDNBSSA-N 1 0 219.328 2.253 10 0 BEAERO C[C@H](C(=O)N1CC([NH2+]C2CCC2)C1)C(C)(C)C ZINC000675054600 537947468 /nfs/dbraw/zinc/94/74/68/537947468.db2.gz IDCXIPVBKAVASB-SNVBAGLBSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ccc2oc(C(=O)CC[NH3+])cc2c1 ZINC000082914562 178987336 /nfs/dbraw/zinc/98/73/36/178987336.db2.gz NWNHQLDYHHELMY-UHFFFAOYSA-N 1 0 203.241 2.273 10 0 BEAERO C[C@H]1C[C@H](C)[N@H+](C[C@@H](N)c2ccccc2)C1 ZINC000149934797 346164623 /nfs/dbraw/zinc/16/46/23/346164623.db2.gz CUCXWIFNYJIXIR-SGMGOOAPSA-N 1 0 218.344 2.417 10 0 BEAERO Cc1coc(S[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000235941173 346173373 /nfs/dbraw/zinc/17/33/73/346173373.db2.gz CUVHQAZILXJCSD-DTWKUNHWSA-N 1 0 212.318 2.345 10 0 BEAERO [NH3+]C[C@](O)(C1=CCCCCC1)C(F)(F)F ZINC000675054643 537953459 /nfs/dbraw/zinc/95/34/59/537953459.db2.gz WITXWJHSCFTOTB-VIFPVBQESA-N 1 0 223.238 2.129 10 0 BEAERO Cc1ncsc1C[NH2+]CC[C@@H]1CCCO1 ZINC000084149309 537952030 /nfs/dbraw/zinc/95/20/30/537952030.db2.gz KYTQOKGPRPKSRM-JTQLQIEISA-N 1 0 226.345 2.110 10 0 BEAERO C[C@@H]1CC[C@@H](C)[C@H](n2cnc(C[NH3+])c2)C1 ZINC000669375217 537953149 /nfs/dbraw/zinc/95/31/49/537953149.db2.gz VOABZTQMTFYKNN-CKYFFXLPSA-N 1 0 207.321 2.339 10 0 BEAERO CC(C)([NH3+])C(=O)Cc1cccc(Cl)c1 ZINC000136388252 346207018 /nfs/dbraw/zinc/20/70/18/346207018.db2.gz MFCPHRFQCMRVMN-UHFFFAOYSA-N 1 0 211.692 2.189 10 0 BEAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(N)=[NH2+] ZINC000062013038 346190850 /nfs/dbraw/zinc/19/08/50/346190850.db2.gz DPZXGEBPIJKHDJ-ZETCQYMHSA-N 1 0 211.696 2.226 10 0 BEAERO Nc1c[nH+]cc(Br)c1NCC1CC1 ZINC000236371906 346231551 /nfs/dbraw/zinc/23/15/51/346231551.db2.gz PALJSHZAKWWHJM-UHFFFAOYSA-N 1 0 242.120 2.248 10 0 BEAERO Nc1c[nH+]cc(Br)c1N1CCCC1 ZINC000236369735 346233075 /nfs/dbraw/zinc/23/30/75/346233075.db2.gz MYLUJSLDMPSUGO-UHFFFAOYSA-N 1 0 242.120 2.027 10 0 BEAERO [NH3+][C@@H]1CCO[C@H]1c1ccc(F)cc1Cl ZINC000236313179 346224921 /nfs/dbraw/zinc/22/49/21/346224921.db2.gz JHKOGBALQCNGGV-ZJUUUORDSA-N 1 0 215.655 2.268 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]1c1cnc(C(F)(F)F)s1 ZINC000236314163 346224930 /nfs/dbraw/zinc/22/49/30/346224930.db2.gz AIVAXDCAPLSPMN-CRCLSJGQSA-N 1 0 222.235 2.367 10 0 BEAERO [NH3+][C@H](CC1OCCO1)c1ccc(Cl)cc1F ZINC000236317179 346225003 /nfs/dbraw/zinc/22/50/03/346225003.db2.gz CBZUIZJOHKEKFK-SNVBAGLBSA-N 1 0 245.681 2.242 10 0 BEAERO Cc1ncc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000628260639 346260453 /nfs/dbraw/zinc/26/04/53/346260453.db2.gz PBUPNIORXAXGFD-PEGIJTEDSA-N 1 0 238.331 2.276 10 0 BEAERO Cc1cccc(Br)c1C[NH3+] ZINC000167501165 346255882 /nfs/dbraw/zinc/25/58/82/346255882.db2.gz IYRIWDCPCQASJZ-UHFFFAOYSA-N 1 0 200.079 2.216 10 0 BEAERO C[C@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC000158929812 346269447 /nfs/dbraw/zinc/26/94/47/346269447.db2.gz HMNIFRRAZZPSGQ-LLVKDONJSA-N 1 0 221.300 2.105 10 0 BEAERO [NH3+]CC[C@H](O)c1cc2cscc2s1 ZINC000669377281 537964233 /nfs/dbraw/zinc/96/42/33/537964233.db2.gz LNABFZDFPKSPJM-ZETCQYMHSA-N 1 0 213.327 2.345 10 0 BEAERO C[C@@H]1c2ccccc2N(C2CC[NH+](C)CC2)C1=O ZINC000167635034 346293681 /nfs/dbraw/zinc/29/36/81/346293681.db2.gz GJTDDMXNSDGENN-LLVKDONJSA-N 1 0 244.338 2.231 10 0 BEAERO Cc1cccc(C)c1N[C@H](C)C1=[NH+]CCN1 ZINC000027656320 179044575 /nfs/dbraw/zinc/04/45/75/179044575.db2.gz MQGFWBBCOFUQDM-LLVKDONJSA-N 1 0 217.316 2.106 10 0 BEAERO Cc1cccc(C)c1OC(C)(C)C1=[NH+]CCN1 ZINC000027716038 179045394 /nfs/dbraw/zinc/04/53/94/179045394.db2.gz JWEBPAIIWTWANV-UHFFFAOYSA-N 1 0 232.327 2.463 10 0 BEAERO Cc1cccc(C)c1OC[C@@H]1CC[NH2+]C1 ZINC000051890595 179048015 /nfs/dbraw/zinc/04/80/15/179048015.db2.gz OJSYRVHUIYQHFJ-GFCCVEGCSA-N 1 0 205.301 2.292 10 0 BEAERO Cc1cccc(C)c1O[C@H](C)C1=[NH+]CCCN1 ZINC000027705110 179048268 /nfs/dbraw/zinc/04/82/68/179048268.db2.gz KBBFVNAJTYAISE-GFCCVEGCSA-N 1 0 232.327 2.463 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(O)c1 ZINC000156084300 346360633 /nfs/dbraw/zinc/36/06/33/346360633.db2.gz LHJNNGSTLXOIHK-CQSZACIVSA-N 1 0 248.370 2.308 10 0 BEAERO CC(=O)N1CC[N@@H+]([C@@H]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000336467256 187368416 /nfs/dbraw/zinc/36/84/16/187368416.db2.gz VREXJRVXOAHYHS-DGCLKSJQSA-N 1 0 238.375 2.118 10 0 BEAERO Cc1cccc(CN(C)[C@H]2CCC[NH2+]C2)c1 ZINC000043501468 179072649 /nfs/dbraw/zinc/07/26/49/179072649.db2.gz SFNCLFRUMTYFFM-AWEZNQCLSA-N 1 0 218.344 2.179 10 0 BEAERO C[C@@](F)(C[NH3+])Cc1cccc(F)c1F ZINC000158254956 346392182 /nfs/dbraw/zinc/39/21/82/346392182.db2.gz RVTWKBVTFOBHDJ-JTQLQIEISA-N 1 0 203.207 2.194 10 0 BEAERO [NH3+]C1(c2cc(Cl)cnc2F)CCC1 ZINC000725241224 537977160 /nfs/dbraw/zinc/97/71/60/537977160.db2.gz DQZURMIJTQYPFH-UHFFFAOYSA-N 1 0 200.644 2.212 10 0 BEAERO Cc1cc([C@@H]2CC[NH2+][C@H](C)C2)cc(F)n1 ZINC000669379337 537977435 /nfs/dbraw/zinc/97/74/35/537977435.db2.gz YPLGOWXEYPCCCA-PSASIEDQSA-N 1 0 208.280 2.385 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CC1 ZINC000641790183 362724578 /nfs/dbraw/zinc/72/45/78/362724578.db2.gz UYKVQCNBNLONJY-FRRDWIJNSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1C[C@H](C)C[NH+](Cc2nc(CO)cs2)C1 ZINC000669379427 537979248 /nfs/dbraw/zinc/97/92/48/537979248.db2.gz ATZNRXVQGXCCER-UWVGGRQHSA-N 1 0 240.372 2.113 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1C ZINC000282306746 179098250 /nfs/dbraw/zinc/09/82/50/179098250.db2.gz KDKVXTSZOKWQMB-GXTWGEPZSA-N 1 0 246.354 2.060 10 0 BEAERO CC1(C)C[N@H+](C[C@H]2Cc3ccccc32)C[C@H]1O ZINC000334271240 346458069 /nfs/dbraw/zinc/45/80/69/346458069.db2.gz GSNKFUUTGKPPNF-TZMCWYRMSA-N 1 0 231.339 2.029 10 0 BEAERO CN(Cc1ccccc1)c1cccc(CO)n1 ZINC000051041727 346460473 /nfs/dbraw/zinc/46/04/73/346460473.db2.gz NZOYNGRLAIQMNO-UHFFFAOYSA-N 1 0 228.295 2.210 10 0 BEAERO Cc1cccc(C[NH2+]C[C@H]2CCCCO2)n1 ZINC000051575927 179094635 /nfs/dbraw/zinc/09/46/35/179094635.db2.gz VNPICCGISYKSMZ-CYBMUJFWSA-N 1 0 220.316 2.049 10 0 BEAERO Cc1nc[nH]c1C[NH2+]Cc1cccc(C)c1 ZINC000054794177 179095496 /nfs/dbraw/zinc/09/54/96/179095496.db2.gz CREMPFOSHQBGDS-UHFFFAOYSA-N 1 0 215.300 2.316 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1F ZINC000294995229 179097240 /nfs/dbraw/zinc/09/72/40/179097240.db2.gz HHOPLOZDPDVGMC-ZYHUDNBSSA-N 1 0 223.291 2.401 10 0 BEAERO C[C@@](F)(C[NH3+])Cc1ccc(Br)cn1 ZINC000161977186 346504712 /nfs/dbraw/zinc/50/47/12/346504712.db2.gz FISABJNHUVBCDH-VIFPVBQESA-N 1 0 247.111 2.074 10 0 BEAERO Cc1cccc(Cl)c1NC(=O)C[C@H](C)[NH3+] ZINC000039245187 179107733 /nfs/dbraw/zinc/10/77/33/179107733.db2.gz CUNLUFUNMBWECT-QMMMGPOBSA-N 1 0 226.707 2.324 10 0 BEAERO Cc1cccc(Cl)c1NC(=O)C[C@@H](C)[NH3+] ZINC000039245186 179108201 /nfs/dbraw/zinc/10/82/01/179108201.db2.gz CUNLUFUNMBWECT-MRVPVSSYSA-N 1 0 226.707 2.324 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1C ZINC000282306754 179101794 /nfs/dbraw/zinc/10/17/94/179101794.db2.gz KDKVXTSZOKWQMB-OCCSQVGLSA-N 1 0 246.354 2.060 10 0 BEAERO OCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000020188248 259390647 /nfs/dbraw/zinc/39/06/47/259390647.db2.gz WHUJHZMNZCQCMJ-CQSZACIVSA-N 1 0 231.295 2.341 10 0 BEAERO Cc1cccc(Cl)c1NC1=[NH+]CCN1 ZINC000006071712 179108424 /nfs/dbraw/zinc/10/84/24/179108424.db2.gz PMDBCMLUDMRNFI-UHFFFAOYSA-N 1 0 209.680 2.020 10 0 BEAERO Cc1cccc(C[C@H]2C[NH2+]CCS2)c1 ZINC000071510914 179106084 /nfs/dbraw/zinc/10/60/84/179106084.db2.gz BLXNMNSSCAFTIU-LBPRGKRZSA-N 1 0 207.342 2.243 10 0 BEAERO Cc1cccc(C[C@H]([NH3+])c2cncnc2)c1 ZINC000052887397 179106151 /nfs/dbraw/zinc/10/61/51/179106151.db2.gz DUNMSTKOMOUJJI-ZDUSSCGKSA-N 1 0 213.284 2.028 10 0 BEAERO Cc1cc(-c2nnc([C@H](C)[NH3+])s2)co1 ZINC000161856180 346501121 /nfs/dbraw/zinc/50/11/21/346501121.db2.gz QIKYXEFDZSSVMA-LURJTMIESA-N 1 0 209.274 2.126 10 0 BEAERO CCCC[C@H](CC)CNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104227249 346534564 /nfs/dbraw/zinc/53/45/64/346534564.db2.gz FQCMWVXOUKEKSH-AVGNSLFASA-N 1 0 240.391 2.175 10 0 BEAERO C[C@@]([NH3+])(Cc1ccc(F)cc1)C(F)F ZINC000162691930 346535007 /nfs/dbraw/zinc/53/50/07/346535007.db2.gz YPPCDKBLNLQCMZ-SNVBAGLBSA-N 1 0 203.207 2.351 10 0 BEAERO Cc1cccc(N(C)C[C@]2(C)CC[NH2+]C2)c1 ZINC000062912263 179116073 /nfs/dbraw/zinc/11/60/73/179116073.db2.gz ILPCDWJKPFGEPW-CQSZACIVSA-N 1 0 218.344 2.431 10 0 BEAERO Cc1cccc(Cn2cc([C@@H](C)[NH3+])cn2)c1 ZINC000054716873 179108987 /nfs/dbraw/zinc/10/89/87/179108987.db2.gz YCJGGSKYBBLVAS-LLVKDONJSA-N 1 0 215.300 2.260 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1cccc(Br)c1 ZINC000164019922 346586960 /nfs/dbraw/zinc/58/69/60/346586960.db2.gz YUYJQZJUGOEERG-ZETCQYMHSA-N 1 0 242.116 2.369 10 0 BEAERO CCSCC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC000164062137 346588130 /nfs/dbraw/zinc/58/81/30/346588130.db2.gz LOUBJRVRDMMRBR-ZDUSSCGKSA-N 1 0 239.384 2.280 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](O)c1ccc(Br)cc1 ZINC000164142662 346592523 /nfs/dbraw/zinc/59/25/23/346592523.db2.gz NAVJDCUCIUEXMA-GMSGAONNSA-N 1 0 244.132 2.220 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000164149489 346593224 /nfs/dbraw/zinc/59/32/24/346593224.db2.gz UJZHWFUCGDICAW-LHLIQPBNSA-N 1 0 217.671 2.250 10 0 BEAERO C[C@@H]([NH3+])C[C@H](O)c1ccc(F)cc1Cl ZINC000164150660 346593498 /nfs/dbraw/zinc/59/34/98/346593498.db2.gz YNLJSDDVEOSQGI-LDWIPMOCSA-N 1 0 217.671 2.250 10 0 BEAERO Cc1cncc([C@@H]([NH3+])[C@@H]2CCSC2)c1 ZINC000164743621 346622360 /nfs/dbraw/zinc/62/23/60/346622360.db2.gz VZUNEZHIQMNYBP-KOLCDFICSA-N 1 0 208.330 2.143 10 0 BEAERO [NH3+]C[C@@H]1CCCCN1c1nc(Cl)cs1 ZINC000165290771 346646496 /nfs/dbraw/zinc/64/64/96/346646496.db2.gz PMDNIJKOXDEWGV-ZETCQYMHSA-N 1 0 231.752 2.114 10 0 BEAERO Cc1cccc(NC(=O)[C@@H](C)CCC[NH3+])c1 ZINC000076610274 179137428 /nfs/dbraw/zinc/13/74/28/179137428.db2.gz VUDSQDLVGTVPQN-NSHDSACASA-N 1 0 220.316 2.309 10 0 BEAERO Cc1cccc(NC(=O)C[NH2+][C@H](C)C2CC2)c1 ZINC000035142253 179128805 /nfs/dbraw/zinc/12/88/05/179128805.db2.gz KPDZPTMMFXJMAA-LLVKDONJSA-N 1 0 232.327 2.322 10 0 BEAERO CCO[C@@H](c1ccccc1)C1=[NH+]CCCN1 ZINC000005860902 346632488 /nfs/dbraw/zinc/63/24/88/346632488.db2.gz FWVXQIIZIYQFSF-LBPRGKRZSA-N 1 0 218.300 2.156 10 0 BEAERO Cc1cccc(NC(=O)[C@H](C)CCC[NH3+])c1 ZINC000076610276 179139815 /nfs/dbraw/zinc/13/98/15/179139815.db2.gz VUDSQDLVGTVPQN-LLVKDONJSA-N 1 0 220.316 2.309 10 0 BEAERO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)[C@@H]1CCCO1 ZINC000589641343 346722236 /nfs/dbraw/zinc/72/22/36/346722236.db2.gz NKSYFBKULBVPBK-YGRLFVJLSA-N 1 0 245.326 2.220 10 0 BEAERO [NH3+]C[C@@]1(Cc2ccccc2)CCCS1 ZINC000166504818 346678009 /nfs/dbraw/zinc/67/80/09/346678009.db2.gz VPIDPMSPRCWWHC-LBPRGKRZSA-N 1 0 207.342 2.454 10 0 BEAERO Cc1cccc(NCCN2CC[C@H]([NH+](C)C)C2)c1 ZINC000062974125 179145142 /nfs/dbraw/zinc/14/51/42/179145142.db2.gz UKZFXAPRTXLFRR-HNNXBMFYSA-N 1 0 247.386 2.043 10 0 BEAERO Cc1cccc(N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000038051138 179158062 /nfs/dbraw/zinc/15/80/62/179158062.db2.gz VWAAFHGBCXJUPN-QWRGUYRKSA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cccc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000104324421 179156613 /nfs/dbraw/zinc/15/66/13/179156613.db2.gz VLUWCEVFNHMHHP-DZGCQCFKSA-N 1 0 239.322 2.427 10 0 BEAERO O=C1CN(c2ccccc2-c2ccccc2)N=[O+]1 ZINC000169570485 346765391 /nfs/dbraw/zinc/76/53/91/346765391.db2.gz JWGWXCQJJZZHIO-UHFFFAOYSA-O 1 0 239.254 2.324 10 0 BEAERO Cc1cccc(N[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000038051137 179154835 /nfs/dbraw/zinc/15/48/35/179154835.db2.gz VWAAFHGBCXJUPN-WDEREUQCSA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cc(-c2cc(C[NH3+])ccc2N)ccn1 ZINC000669380352 537986592 /nfs/dbraw/zinc/98/65/92/537986592.db2.gz LPRUTCKLBCXXCH-UHFFFAOYSA-N 1 0 213.284 2.098 10 0 BEAERO Cc1cccc(OCCCN2CC[NH2+]C[C@H]2C)c1 ZINC000054372816 179165195 /nfs/dbraw/zinc/16/51/95/179165195.db2.gz BQSGKKOQGVVABA-CQSZACIVSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1cccc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000051871347 179169997 /nfs/dbraw/zinc/16/99/97/179169997.db2.gz LXDUZFDQZAICDR-LBPRGKRZSA-N 1 0 220.316 2.301 10 0 BEAERO Cc1cccc(OCCN(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000104360307 179166416 /nfs/dbraw/zinc/16/64/16/179166416.db2.gz NLKMKFJMJXVUNX-CQSZACIVSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1cccc(OCC[N@@H+](C)[C@H]2CCC[C@H]2O)c1 ZINC000352691303 179166710 /nfs/dbraw/zinc/16/67/10/179166710.db2.gz GCBBQBFGGOAMAH-LSDHHAIUSA-N 1 0 249.354 2.219 10 0 BEAERO Cc1cccc(OC[C@@H]2CC[C@@H](C[NH3+])O2)c1C ZINC000052654705 179170934 /nfs/dbraw/zinc/17/09/34/179170934.db2.gz MOIFLVLYOKYFDF-STQMWFEESA-N 1 0 235.327 2.189 10 0 BEAERO C[NH+]1CCN(c2cccc3ccc(O)cc32)CC1 ZINC000034483768 347149744 /nfs/dbraw/zinc/14/97/44/347149744.db2.gz ZQYZXIKTVQQEOY-UHFFFAOYSA-N 1 0 242.322 2.297 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)C1CC(C)C1 ZINC000582057191 347152545 /nfs/dbraw/zinc/15/25/45/347152545.db2.gz RLWZKYSSBGVEIR-UHFFFAOYSA-N 1 0 232.327 2.391 10 0 BEAERO Cc1cccc(Oc2nccnc2C[NH3+])c1 ZINC000054378464 179176224 /nfs/dbraw/zinc/17/62/24/179176224.db2.gz SRVRZLCCACVJIM-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO CCC[NH2+]C[C@H]1CCc2ccc(OC)cc2O1 ZINC000038998287 347172122 /nfs/dbraw/zinc/17/21/22/347172122.db2.gz XDNDBBOVXOLMIV-CYBMUJFWSA-N 1 0 235.327 2.388 10 0 BEAERO CC(C)(C)C1CCC2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000675055147 537987587 /nfs/dbraw/zinc/98/75/87/537987587.db2.gz YTXQJYQETKLSLI-CVZZAPKMSA-N 1 0 239.359 2.483 10 0 BEAERO C[NH+]1CCC(C(=O)c2cccc(Cl)n2)CC1 ZINC000039187460 347183993 /nfs/dbraw/zinc/18/39/93/347183993.db2.gz MZMVFOGNZLABNZ-UHFFFAOYSA-N 1 0 238.718 2.260 10 0 BEAERO C[C@@H]([NH3+])Cc1c(O)cccc1Br ZINC000221827795 347233903 /nfs/dbraw/zinc/23/39/03/347233903.db2.gz VUWPOKYQUUMOLP-ZCFIWIBFSA-N 1 0 230.105 2.044 10 0 BEAERO CCCC[C@H](CC)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000310141061 347237314 /nfs/dbraw/zinc/23/73/14/347237314.db2.gz NBDMMKRYQWZJHV-MJBXVCDLSA-N 1 0 243.391 2.284 10 0 BEAERO CCCC[C@H](CC)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000310141057 347237661 /nfs/dbraw/zinc/23/76/61/347237661.db2.gz NBDMMKRYQWZJHV-BFHYXJOUSA-N 1 0 243.391 2.284 10 0 BEAERO CSCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308306339 347249470 /nfs/dbraw/zinc/24/94/70/347249470.db2.gz OELUDCZWGOWJNB-NXEZZACHSA-N 1 0 205.342 2.467 10 0 BEAERO Cc1cccc([C@H](C[NH3+])N(C)C2CC2)c1 ZINC000037080683 179199371 /nfs/dbraw/zinc/19/93/71/179199371.db2.gz LNERXTSPRHPBQZ-ZDUSSCGKSA-N 1 0 204.317 2.089 10 0 BEAERO Cc1cccc([C@H]([NH3+])Cc2ncc[nH]2)c1C ZINC000036946831 179201308 /nfs/dbraw/zinc/20/13/08/179201308.db2.gz RZSVSFYRQCDEIX-GFCCVEGCSA-N 1 0 215.300 2.269 10 0 BEAERO C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1c1ccsc1 ZINC000250566236 362810546 /nfs/dbraw/zinc/81/05/46/362810546.db2.gz DGYQZTOEKOLBBM-ONGXEEELSA-N 1 0 210.346 2.090 10 0 BEAERO CC(C)(C)[S@](=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000250585675 362810604 /nfs/dbraw/zinc/81/06/04/362810604.db2.gz FZMIKYMYLDNYRB-GPCCPHFNSA-N 1 0 217.378 2.194 10 0 BEAERO Cc1cccc([C@H](O)C[NH2+]C2CC2)c1C ZINC000055029416 179201830 /nfs/dbraw/zinc/20/18/30/179201830.db2.gz DYDMHVZRWHFJDB-CYBMUJFWSA-N 1 0 205.301 2.089 10 0 BEAERO CC(C)[S@](=O)[C@H]1CCCC(C)(C)[C@H]1[NH3+] ZINC000250568419 362810761 /nfs/dbraw/zinc/81/07/61/362810761.db2.gz GPWWRXPXINMOJZ-BHDSKKPTSA-N 1 0 217.378 2.050 10 0 BEAERO CC(C)(C)[S@](=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000250585680 362810938 /nfs/dbraw/zinc/81/09/38/362810938.db2.gz FZMIKYMYLDNYRB-ISTVAULSSA-N 1 0 217.378 2.194 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H]([S@](=O)C(C)(C)C)C1 ZINC000250592776 362811553 /nfs/dbraw/zinc/81/15/53/362811553.db2.gz NGFKHRCEMVFNLY-RULNRJAQSA-N 1 0 217.378 2.064 10 0 BEAERO Cc1nc(C)n([C@H](c2cccc(C)c2)[C@@H](C)[NH3+])n1 ZINC000042967862 179203304 /nfs/dbraw/zinc/20/33/04/179203304.db2.gz DZVVWJHQFQMRLK-YGRLFVJLSA-N 1 0 244.342 2.140 10 0 BEAERO CN1CC[C@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000250658105 362815481 /nfs/dbraw/zinc/81/54/81/362815481.db2.gz YFGGJDUZDZGQSN-WDEREUQCSA-N 1 0 210.708 2.044 10 0 BEAERO CSC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000390287413 347304518 /nfs/dbraw/zinc/30/45/18/347304518.db2.gz XLAFZDQQFGBVEU-NWDGAFQWSA-N 1 0 243.416 2.365 10 0 BEAERO Cc1cccc2c(NC[C@@H](C)O)cc[nH+]c12 ZINC000120435593 179212288 /nfs/dbraw/zinc/21/22/88/179212288.db2.gz ZZLVRMMUDNLRJH-SNVBAGLBSA-N 1 0 216.284 2.336 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@@H](C)N(CC)CC ZINC000133521484 136750203 /nfs/dbraw/zinc/75/02/03/136750203.db2.gz WGTJHKIPXMENRT-NWDGAFQWSA-N 1 0 200.370 2.352 10 0 BEAERO O=C1CC[C@H]([N@@H+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000250824597 362823031 /nfs/dbraw/zinc/82/30/31/362823031.db2.gz HBZOWCMHLJEJQJ-NTZNESFSSA-N 1 0 207.317 2.373 10 0 BEAERO Cc1nsc(S[C@@H]2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000250833298 362823125 /nfs/dbraw/zinc/82/31/25/362823125.db2.gz GDVFOYQQOHMYJM-LPBLVHEISA-N 1 0 229.374 2.064 10 0 BEAERO Cc1ccccc1-c1c[nH]c(CCC[NH3+])n1 ZINC000036874297 179237184 /nfs/dbraw/zinc/23/71/84/179237184.db2.gz IGXQTHIKZCWADM-UHFFFAOYSA-N 1 0 215.300 2.276 10 0 BEAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(C)C)C1 ZINC000319595333 347444465 /nfs/dbraw/zinc/44/44/65/347444465.db2.gz VWHXLLHWFATILT-NEPJUHHUSA-N 1 0 227.348 2.306 10 0 BEAERO CC(C)c1nsc(N[C@@H](C)CCC[NH3+])n1 ZINC000087362331 365882585 /nfs/dbraw/zinc/88/25/85/365882585.db2.gz AYEHVCAIHFLVKH-QMMMGPOBSA-N 1 0 228.365 2.201 10 0 BEAERO Cc1ccccc1C(=O)NC[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000051572947 179249070 /nfs/dbraw/zinc/24/90/70/179249070.db2.gz BGHVOAXTWYKLFT-STQMWFEESA-N 1 0 246.354 2.255 10 0 BEAERO Cc1c(C[NH2+]CCc2ccccc2C)cnn1C ZINC000094183101 179265649 /nfs/dbraw/zinc/26/56/49/179265649.db2.gz SSFZRPZHUYFSKY-UHFFFAOYSA-N 1 0 243.354 2.369 10 0 BEAERO Cc1ccccc1CCN(C)CC[NH2+]C(C)C ZINC000228266201 179264079 /nfs/dbraw/zinc/26/40/79/179264079.db2.gz QQSIDWDYKDLNFA-UHFFFAOYSA-N 1 0 234.387 2.467 10 0 BEAERO Cc1ccccc1C1CC([NH2+]C[C@@H](C)O)C1 ZINC000036846500 179256566 /nfs/dbraw/zinc/25/65/66/179256566.db2.gz LJOIKNCDWYETGZ-PNESKVBLSA-N 1 0 219.328 2.211 10 0 BEAERO Cc1ccccc1CN(C)c1ccnc(C[NH3+])c1 ZINC000051397897 179271706 /nfs/dbraw/zinc/27/17/06/179271706.db2.gz AOYKEGYOTUYAGN-UHFFFAOYSA-N 1 0 241.338 2.485 10 0 BEAERO Cc1nc(C[NH3+])sc1-c1nccs1 ZINC000669380806 537991631 /nfs/dbraw/zinc/99/16/31/537991631.db2.gz QFGKTGDCDRVFSH-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO Cc1ccccc1C[NH2+]CCCN1CCCC1=O ZINC000013727847 179281130 /nfs/dbraw/zinc/28/11/30/179281130.db2.gz ZRCJLMFEQIPQIX-UHFFFAOYSA-N 1 0 246.354 2.097 10 0 BEAERO C[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C(C)(C)C ZINC000616569547 347767997 /nfs/dbraw/zinc/76/79/97/347767997.db2.gz ACLMIYCYKIOSJE-IJLUTSLNSA-N 1 0 238.375 2.022 10 0 BEAERO CC(C)[C@H](C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308508333 347747082 /nfs/dbraw/zinc/74/70/82/347747082.db2.gz AXAFVHVUEWFPTC-MNOVXSKESA-N 1 0 201.354 2.275 10 0 BEAERO Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000123261756 179282596 /nfs/dbraw/zinc/28/25/96/179282596.db2.gz SVFMKQNUATUCNX-NEPJUHHUSA-N 1 0 207.317 2.102 10 0 BEAERO Cc1ccccc1C[NH2+]Cc1cnccn1 ZINC000054766447 179282993 /nfs/dbraw/zinc/28/29/93/179282993.db2.gz IUQZPQAMURRUOB-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO Cc1ccccc1N(C)C[C@H]1CC[NH2+]C1 ZINC000051890149 179295064 /nfs/dbraw/zinc/29/50/64/179295064.db2.gz XKCLMFJSJZXCSS-LBPRGKRZSA-N 1 0 204.317 2.041 10 0 BEAERO Cc1ccccc1N1CC[NH2+][C@@H](C)CC1 ZINC000049661784 179295869 /nfs/dbraw/zinc/29/58/69/179295869.db2.gz MRADOZCJGSDIIR-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@H]([N@@H+]2CCNC[C@@H]2C)C1 ZINC000669380833 537993039 /nfs/dbraw/zinc/99/30/39/537993039.db2.gz XVXUGSXOPUEMDE-MROQNXINSA-N 1 0 210.365 2.105 10 0 BEAERO Cc1ccccc1C[C@H]([NH3+])C[C@H]1CCCO1 ZINC000037466749 179291698 /nfs/dbraw/zinc/29/16/98/179291698.db2.gz XTFWFJLAZXCBFG-UONOGXRCSA-N 1 0 219.328 2.434 10 0 BEAERO Cc1ccccc1C[C@H]([NH3+])[C@H]1CCCOC1 ZINC000062237092 179291928 /nfs/dbraw/zinc/29/19/28/179291928.db2.gz GVGPGXHCYAAJBL-KBPBESRZSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1ccccc1NC(=O)[C@](C)([NH3+])C1CC1 ZINC000037478838 179303566 /nfs/dbraw/zinc/30/35/66/179303566.db2.gz CUZBYFUMAAXMDV-CYBMUJFWSA-N 1 0 218.300 2.061 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C1(CCO)CCCCC1 ZINC000343888372 535067038 /nfs/dbraw/zinc/06/70/38/535067038.db2.gz WXXKVBFSOYTQMQ-LBPRGKRZSA-N 1 0 243.391 2.068 10 0 BEAERO COc1cc(Cl)c([C@H](C)[NH3+])cc1OC ZINC000036926193 347964812 /nfs/dbraw/zinc/96/48/12/347964812.db2.gz VXFUKQHVDRQWAJ-LURJTMIESA-N 1 0 215.680 2.377 10 0 BEAERO Cc1ccccc1[C@@H]1C[NH2+]CC(C)(C)O1 ZINC000011803097 179329396 /nfs/dbraw/zinc/32/93/96/179329396.db2.gz FGCRXQZEHMFYFN-LBPRGKRZSA-N 1 0 205.301 2.435 10 0 BEAERO [NH3+][C@H]1CCN2CCc3c4ccccc4[nH]c3[C@H]2C1 ZINC000196668278 347986495 /nfs/dbraw/zinc/98/64/95/347986495.db2.gz DOOAEYGCSVCQDK-IINYFYTJSA-N 1 0 241.338 2.188 10 0 BEAERO C[C@H]([NH3+])Cc1nc2cc(Cl)ccc2o1 ZINC000036978563 347989138 /nfs/dbraw/zinc/98/91/38/347989138.db2.gz WLHVDCZSGXCYII-LURJTMIESA-N 1 0 210.664 2.371 10 0 BEAERO C[C@H](C[NH+]1CCCCCCC1)C(N)=S ZINC000036986906 347998058 /nfs/dbraw/zinc/99/80/58/347998058.db2.gz RBDKGPFXRUKRDJ-SNVBAGLBSA-N 1 0 214.378 2.175 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000669381767 537996088 /nfs/dbraw/zinc/99/60/88/537996088.db2.gz UQQPUVOKVHYDAM-DCAQKATOSA-N 1 0 242.363 2.145 10 0 BEAERO Cc1ccccc1[C@@](C)([NH3+])c1cncnc1 ZINC000052887664 179332750 /nfs/dbraw/zinc/33/27/50/179332750.db2.gz OCYXRIKHCBNCKN-ZDUSSCGKSA-N 1 0 213.284 2.007 10 0 BEAERO Cc1ccccc1[C@H](CN)[N@H+]1CCC[C@@H]1C ZINC000037910418 179341740 /nfs/dbraw/zinc/34/17/40/179341740.db2.gz OCBORYJSWFYGAH-JSGCOSHPSA-N 1 0 218.344 2.479 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])CCC(=O)NC1CC1 ZINC000076631731 179342226 /nfs/dbraw/zinc/34/22/26/179342226.db2.gz KDWVTHKJFPTCDH-LBPRGKRZSA-N 1 0 246.354 2.096 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])COC[C@H]1CCCO1 ZINC000019394068 179343371 /nfs/dbraw/zinc/34/33/71/179343371.db2.gz VOBDFOVCKJPFBK-TZMCWYRMSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1ccccc1[C@H]([C@H](C)N)[NH+]1CCCC1 ZINC000043033264 179346686 /nfs/dbraw/zinc/34/66/86/179346686.db2.gz WAFPXFYLPSMKFY-JSGCOSHPSA-N 1 0 218.344 2.479 10 0 BEAERO Cc1ccccc1[C@H]1Cc2n[nH]cc2[C@H]([NH3+])C1 ZINC000072415301 179350694 /nfs/dbraw/zinc/35/06/94/179350694.db2.gz SKVIPFUZMQUKSW-ZWNOBZJWSA-N 1 0 227.311 2.448 10 0 BEAERO Cc1ccccc1[C@H]1Cc2c(cnn2C)[C@H]([NH3+])C1 ZINC000072415867 179350894 /nfs/dbraw/zinc/35/08/94/179350894.db2.gz SJZRKNKVKYHUAE-BXUZGUMPSA-N 1 0 241.338 2.458 10 0 BEAERO CCCN(CC)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 ZINC000669381857 537998011 /nfs/dbraw/zinc/99/80/11/537998011.db2.gz YBACHEUUIPNXPD-AVGNSLFASA-N 1 0 212.381 2.495 10 0 BEAERO COC(=O)[C@@H]1CCC[N@H+](CCC=C(C)C)C1 ZINC000595304347 348221390 /nfs/dbraw/zinc/22/13/90/348221390.db2.gz CTNVCGVMAMIOML-GFCCVEGCSA-N 1 0 225.332 2.228 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H](O)C(Cl)(Cl)Cl ZINC000669381948 537999287 /nfs/dbraw/zinc/99/92/87/537999287.db2.gz BMEHLAYRRXAJGD-NTSWFWBYSA-N 1 0 234.554 2.106 10 0 BEAERO Cc1cccnc1C[N@@H+]1CCC[C@H]1CCCO ZINC000093170905 179374855 /nfs/dbraw/zinc/37/48/55/179374855.db2.gz BVQPLVPKKHHUIO-ZDUSSCGKSA-N 1 0 234.343 2.127 10 0 BEAERO Cc1cccnc1CN1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000071344233 179374966 /nfs/dbraw/zinc/37/49/66/179374966.db2.gz GLGRXGVUWHBCIT-AWEZNQCLSA-N 1 0 247.386 2.210 10 0 BEAERO CCCN(C)c1nc(C[NH3+])ccc1Cl ZINC000669381953 538000519 /nfs/dbraw/zinc/00/05/19/538000519.db2.gz BOZQZDALZOOXRQ-UHFFFAOYSA-N 1 0 213.712 2.040 10 0 BEAERO CCOC(=O)[C@@H](C)[N@H+](C)CCC1CCC1 ZINC000595375077 348232356 /nfs/dbraw/zinc/23/23/56/348232356.db2.gz MNGKHROLEOWULM-SNVBAGLBSA-N 1 0 213.321 2.060 10 0 BEAERO Cc1cccnc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000161797525 179384728 /nfs/dbraw/zinc/38/47/28/179384728.db2.gz RLPILNWNZXBFEB-DGCLKSJQSA-N 1 0 220.316 2.047 10 0 BEAERO CCC[C@@H]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245092 538000634 /nfs/dbraw/zinc/00/06/34/538000634.db2.gz FCJGQMSBSSCIIV-LOWVWBTDSA-N 1 0 209.333 2.381 10 0 BEAERO Cc1cccnc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000051041271 179395575 /nfs/dbraw/zinc/39/55/75/179395575.db2.gz DFYQRGLTAARHAP-MNOVXSKESA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cccnc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000051041269 179395353 /nfs/dbraw/zinc/39/53/53/179395353.db2.gz DFYQRGLTAARHAP-QWRGUYRKSA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cccnc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000051041289 179396520 /nfs/dbraw/zinc/39/65/20/179396520.db2.gz SANSQQDBIASHKE-NWDGAFQWSA-N 1 0 219.332 2.190 10 0 BEAERO Cc1cccnc1[C@H]([NH3+])c1cccs1 ZINC000043616544 179398397 /nfs/dbraw/zinc/39/83/97/179398397.db2.gz FSJRCDGVGIPQIU-SNVBAGLBSA-N 1 0 204.298 2.500 10 0 BEAERO Cc1ccn(-c2ccc(C[NH3+])c(Cl)c2)n1 ZINC000061846525 179398989 /nfs/dbraw/zinc/39/89/89/179398989.db2.gz ZXSMMNOCTXDWCP-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO Cc1cccnc1[C@H]1[NH2+]CCc2cc(O)ccc21 ZINC000038805223 179399783 /nfs/dbraw/zinc/39/97/83/179399783.db2.gz QNCOEDSGEFGFNB-HNNXBMFYSA-N 1 0 240.306 2.331 10 0 BEAERO C[C@@H]1CN(c2nccc3ccccc32)CC[C@H]1[NH3+] ZINC000251753427 362906202 /nfs/dbraw/zinc/90/62/02/362906202.db2.gz LKWJWZVEVOQPMU-BXUZGUMPSA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H]1C[C@@]2(CS1)[NH2+][C@H](C)CCS2 ZINC000251751846 362906261 /nfs/dbraw/zinc/90/62/61/362906261.db2.gz SJCCXMLSQWYPQL-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO CCCC[NH2+]C[C@@H](O)C(Cl)(Cl)Cl ZINC000669382948 538006286 /nfs/dbraw/zinc/00/62/86/538006286.db2.gz PMUICSZCFDTNHY-ZCFIWIBFSA-N 1 0 234.554 2.107 10 0 BEAERO Cc1ccsc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000100258124 179538418 /nfs/dbraw/zinc/53/84/18/179538418.db2.gz IUMGXJUYCABXAJ-AOOOYVTPSA-N 1 0 238.356 2.056 10 0 BEAERO C[C@@H]1C[NH2+]C[C@]12C[C@H](C(C)(C)C)CC[C@H]2O ZINC000725246538 538007236 /nfs/dbraw/zinc/00/72/36/538007236.db2.gz YABBGIMGZXHGMY-HKUMRIAESA-N 1 0 225.376 2.419 10 0 BEAERO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000069847592 490186496 /nfs/dbraw/zinc/18/64/96/490186496.db2.gz GYRPQESCJXABCY-FRRDWIJNSA-N 1 0 227.348 2.103 10 0 BEAERO Cc1cnc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)o1 ZINC000300404649 179598394 /nfs/dbraw/zinc/59/83/94/179598394.db2.gz UJBZIRGSKUVYBT-YPMHNXCESA-N 1 0 249.358 2.042 10 0 BEAERO COC(=O)C1([NH3+])CCC(C(C)(C)C)CC1 ZINC000037459678 348614619 /nfs/dbraw/zinc/61/46/19/348614619.db2.gz ONYLIZUWIFJTCH-UHFFFAOYSA-N 1 0 213.321 2.093 10 0 BEAERO CC(C)CN1C[C@@]2(C[C@@H]2[NH3+])c2ccccc21 ZINC000725246920 538008579 /nfs/dbraw/zinc/00/85/79/538008579.db2.gz BAQKMAWXSPRXCI-KBPBESRZSA-N 1 0 216.328 2.131 10 0 BEAERO COc1cc2c(c(Br)c1)CC[C@H]2[NH3+] ZINC000212495415 323195138 /nfs/dbraw/zinc/19/51/38/323195138.db2.gz KHXIGCPNQLUVOE-SNVBAGLBSA-N 1 0 242.116 2.404 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000054071898 490191144 /nfs/dbraw/zinc/19/11/44/490191144.db2.gz DSNUPUCOXBPSLF-SNVBAGLBSA-N 1 0 220.316 2.356 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000308826360 348758912 /nfs/dbraw/zinc/75/89/12/348758912.db2.gz DSSHYHPKBXMDJL-KWQFWETISA-N 1 0 201.273 2.061 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@@]1(C[C@H]1[NH3+])CN2 ZINC000725246990 538012300 /nfs/dbraw/zinc/01/23/00/538012300.db2.gz CPGFOMCYNGSSPO-TZMCWYRMSA-N 1 0 216.328 2.378 10 0 BEAERO CC[C@H](c1ccccc1)N1CCC(=O)C1 ZINC000051628298 350000735 /nfs/dbraw/zinc/00/07/35/350000735.db2.gz XQHUNZLYZKTOEH-CYBMUJFWSA-N 1 0 203.285 2.413 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000308852024 348856463 /nfs/dbraw/zinc/85/64/63/348856463.db2.gz OPRHNFZOEIDFDI-GZMMTYOYSA-N 1 0 201.273 2.061 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000308852025 348857858 /nfs/dbraw/zinc/85/78/58/348857858.db2.gz OPRHNFZOEIDFDI-KCJUWKMLSA-N 1 0 201.273 2.061 10 0 BEAERO Cc1cc2c(c(Cl)c1)NC[C@]21C[C@H]1[NH3+] ZINC000725247657 538014480 /nfs/dbraw/zinc/01/44/80/538014480.db2.gz UBMJZBUCFKWSTC-MWLCHTKSSA-N 1 0 208.692 2.043 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000054072952 348888244 /nfs/dbraw/zinc/88/82/44/348888244.db2.gz DEDQGUMUNCQPRM-WOPDTQHZSA-N 1 0 240.391 2.315 10 0 BEAERO CCC1CCC([N@@H+]2CCNC[C@H]2C)CC1 ZINC000082848771 538019047 /nfs/dbraw/zinc/01/90/47/538019047.db2.gz RJGYDRRKVPLFSA-PNESKVBLSA-N 1 0 210.365 2.249 10 0 BEAERO Cc1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290561 348962123 /nfs/dbraw/zinc/96/21/23/348962123.db2.gz GAHRAOAQTOPGNJ-GFCCVEGCSA-N 1 0 232.327 2.323 10 0 BEAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054290214 348962127 /nfs/dbraw/zinc/96/21/27/348962127.db2.gz YNBFKYOQTPPTEG-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054290241 348962296 /nfs/dbraw/zinc/96/22/96/348962296.db2.gz NZHYRBGRUHABKV-LBPRGKRZSA-N 1 0 232.327 2.323 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290907 348962974 /nfs/dbraw/zinc/96/29/74/348962974.db2.gz JKCIPIIAQFBTNB-NEPJUHHUSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054290918 348962978 /nfs/dbraw/zinc/96/29/78/348962978.db2.gz XPCFAHFNWLSRAO-OLZOCXBDSA-N 1 0 238.375 2.025 10 0 BEAERO CCC1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054291233 348963544 /nfs/dbraw/zinc/96/35/44/348963544.db2.gz OJEORQOMJUFKKA-ZDUSSCGKSA-N 1 0 238.375 2.025 10 0 BEAERO CCC[C@H](CC)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292663 348963905 /nfs/dbraw/zinc/96/39/05/348963905.db2.gz DGBFIKAMMRWFEK-RYUDHWBXSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1cnn([C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000042947502 179745798 /nfs/dbraw/zinc/74/57/98/179745798.db2.gz FIYDYYPCHGXLFV-LBPRGKRZSA-N 1 0 235.718 2.393 10 0 BEAERO CC[C@@H](C)c1nnc([C@@H]([NH3+])[C@@H](C)CC)[nH]1 ZINC000616573301 349069641 /nfs/dbraw/zinc/06/96/41/349069641.db2.gz ZWRAZIVBBAEYLO-YIZRAAEISA-N 1 0 210.325 2.364 10 0 BEAERO CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000082917911 349082283 /nfs/dbraw/zinc/08/22/83/349082283.db2.gz DNQXICUIHJSVPX-OCCSQVGLSA-N 1 0 219.328 2.282 10 0 BEAERO Cc1cc(C(F)F)nc([C@H]2CCC[NH2+]2)n1 ZINC000616577089 349105267 /nfs/dbraw/zinc/10/52/67/349105267.db2.gz IHWHPYQNCDJIRQ-SSDOTTSWSA-N 1 0 213.231 2.147 10 0 BEAERO CC(C)C[C@@H]1CCN(C(=O)C2CCC2)C[C@H]1[NH3+] ZINC000616571831 349061212 /nfs/dbraw/zinc/06/12/12/349061212.db2.gz SHLCBWVIIZYOIH-QWHCGFSZSA-N 1 0 238.375 2.008 10 0 BEAERO COC(=O)[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC000599250229 349131209 /nfs/dbraw/zinc/13/12/09/349131209.db2.gz JZRRACZTEIRLJQ-LBPRGKRZSA-N 1 0 239.359 2.450 10 0 BEAERO OCC[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250839386 538027475 /nfs/dbraw/zinc/02/74/75/538027475.db2.gz DKLVWUZEGOAMKC-DZGCQCFKSA-N 1 0 245.366 2.421 10 0 BEAERO CC[NH2+][C@H]1CCN2CCc3ccccc3[C@H]2C1 ZINC000250633275 349177719 /nfs/dbraw/zinc/17/77/19/349177719.db2.gz LSNIROKWVXXRJK-DZGCQCFKSA-N 1 0 230.355 2.358 10 0 BEAERO O[C@@]1(c2ccccc2)CC[N@@H+]2CCC[C@H]2C1 ZINC000250803497 349179515 /nfs/dbraw/zinc/17/95/15/349179515.db2.gz GLOIDCPMUMVZKG-KBPBESRZSA-N 1 0 217.312 2.132 10 0 BEAERO c1ccc(C[NH2+][C@@H]2C3CCN(CC3)C23CC3)cc1 ZINC000616579424 349161516 /nfs/dbraw/zinc/16/15/16/349161516.db2.gz SVNMJOFEBUPVMQ-OAHLLOKOSA-N 1 0 242.366 2.403 10 0 BEAERO CCOc1cccc(OC(F)(F)F)c1C[NH3+] ZINC000616580587 349258080 /nfs/dbraw/zinc/25/80/80/349258080.db2.gz ZITAXNFVHAKXKN-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO CCOCCC[NH2+]CC1(F)CCCC1 ZINC000616581137 349262657 /nfs/dbraw/zinc/26/26/57/349262657.db2.gz HFFJEVFEEYVDIF-UHFFFAOYSA-N 1 0 203.301 2.285 10 0 BEAERO C[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000251139874 538036941 /nfs/dbraw/zinc/03/69/41/538036941.db2.gz WEAOVLDAAYJHKF-OLZOCXBDSA-N 1 0 224.392 2.449 10 0 BEAERO Cc1ccc([C@@H]([NH3+])c2cccs2)cn1 ZINC000062949791 349270072 /nfs/dbraw/zinc/27/00/72/349270072.db2.gz RBRKHLJEBCCDGF-LLVKDONJSA-N 1 0 204.298 2.500 10 0 BEAERO COc1cccc([C@@H]2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC000143796599 349313449 /nfs/dbraw/zinc/31/34/49/349313449.db2.gz HJNMSNZVROLPNP-WCFLWFBJSA-N 1 0 203.285 2.018 10 0 BEAERO Cc1ccc(O)c(C[NH2+]CCCC2CC2)n1 ZINC000124953514 349394945 /nfs/dbraw/zinc/39/49/45/349394945.db2.gz BYOTUUCVVBQHEG-UHFFFAOYSA-N 1 0 220.316 2.375 10 0 BEAERO [NH3+]Cc1nsc2cc(F)cc(F)c21 ZINC000725254048 538042895 /nfs/dbraw/zinc/04/28/95/538042895.db2.gz CQZFFXLVXRAGNR-UHFFFAOYSA-N 1 0 200.213 2.033 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(N)nc1 ZINC000616585541 349369701 /nfs/dbraw/zinc/36/97/01/349369701.db2.gz BZHXSTINANRKQR-HNNXBMFYSA-N 1 0 239.322 2.071 10 0 BEAERO Cc1cc(Br)cc(C[C@@H](C)[NH3+])c1O ZINC000159313795 350008114 /nfs/dbraw/zinc/00/81/14/350008114.db2.gz USVJCMPHUXMIJU-SSDOTTSWSA-N 1 0 244.132 2.353 10 0 BEAERO CC1(C)CCN2CC[NH2+]Cc3cccc1c32 ZINC000216788534 350015576 /nfs/dbraw/zinc/01/55/76/350015576.db2.gz SZJDWGJWDXVDAG-UHFFFAOYSA-N 1 0 216.328 2.278 10 0 BEAERO COc1ccc(CO[C@@H]2CCC[NH2+]C2)cc1F ZINC000051787263 350113370 /nfs/dbraw/zinc/11/33/70/350113370.db2.gz DWFWGGBKRADPOV-LLVKDONJSA-N 1 0 239.290 2.103 10 0 BEAERO CC(=O)C[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000218144557 350084389 /nfs/dbraw/zinc/08/43/89/350084389.db2.gz AUNOGDBODLOHTB-IEBDPFPHSA-N 1 0 215.362 2.180 10 0 BEAERO Cc1nc(N2CCCC[C@@H]2C)sc1C[NH3+] ZINC000054995272 180001940 /nfs/dbraw/zinc/00/19/40/180001940.db2.gz ZNHURCGSQFSSCE-QMMMGPOBSA-N 1 0 225.361 2.289 10 0 BEAERO Cc1nc(N2CCC[C@H](C)[C@H]2C[NH3+])sc1C ZINC000227884053 180002656 /nfs/dbraw/zinc/00/26/56/180002656.db2.gz UVXFREZZZYLDOC-GZMMTYOYSA-N 1 0 239.388 2.324 10 0 BEAERO Cc1nc(NC(=O)[C@H]([NH3+])C(C)(C)C)sc1C ZINC000077499042 180011957 /nfs/dbraw/zinc/01/19/57/180011957.db2.gz FPMOSACXZHRYPS-QMMMGPOBSA-N 1 0 241.360 2.072 10 0 BEAERO Cc1nc(N[C@H]2C[NH2+]CC[C@H]2C)sc1C ZINC000335655381 180025359 /nfs/dbraw/zinc/02/53/59/180025359.db2.gz BOSBTNXTFTYMPQ-XCBNKYQSSA-N 1 0 225.361 2.170 10 0 BEAERO Cc1nc(N[C@H]2C[NH2+]CC[C@@H]2C)sc1C ZINC000335655382 180025481 /nfs/dbraw/zinc/02/54/81/180025481.db2.gz BOSBTNXTFTYMPQ-XVKPBYJWSA-N 1 0 225.361 2.170 10 0 BEAERO CCCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121096257 168612020 /nfs/dbraw/zinc/61/20/20/168612020.db2.gz OOXZRCWYEPGQRA-UHFFFAOYSA-N 1 0 238.375 2.263 10 0 BEAERO Cc1nc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cs1 ZINC000134061239 180037460 /nfs/dbraw/zinc/03/74/60/180037460.db2.gz MMFUUHVDEIOXLC-NQMVMOMDSA-N 1 0 226.345 2.280 10 0 BEAERO Cc1nc([C@@]2([NH3+])CCSC2)sc1C ZINC000041059986 180047367 /nfs/dbraw/zinc/04/73/67/180047367.db2.gz TYBSCZJHEHPFIF-SECBINFHSA-N 1 0 214.359 2.051 10 0 BEAERO Cc1nc([C@H](C)[NH2+]CCO)sc1C(C)(C)C ZINC000045205561 180048880 /nfs/dbraw/zinc/04/88/80/180048880.db2.gz HOTWULUPRMXLSG-VIFPVBQESA-N 1 0 242.388 2.392 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@@H](C)c2ccccc2)no1 ZINC000041046477 180053084 /nfs/dbraw/zinc/05/30/84/180053084.db2.gz IKCCSWLAGTYITH-GZMMTYOYSA-N 1 0 217.272 2.182 10 0 BEAERO Cc1nc2c(cccc2CCC[NH3+])s1 ZINC000082378439 180064884 /nfs/dbraw/zinc/06/48/84/180064884.db2.gz KTCBBCWOCRSOPT-UHFFFAOYSA-N 1 0 206.314 2.496 10 0 BEAERO Cc1cccc(C[NH2+]CC[C@H](C)[S@](C)=O)c1 ZINC000132568253 191033772 /nfs/dbraw/zinc/03/37/72/191033772.db2.gz BMKDOULFJJPOEN-BLLLJJGKSA-N 1 0 239.384 2.242 10 0 BEAERO C[C@@H](C[NH3+])[C@@H](O)c1ccccc1Br ZINC000083021567 538062194 /nfs/dbraw/zinc/06/21/94/538062194.db2.gz RHTSXROVQGNOCY-OIBJUYFYSA-N 1 0 244.132 2.077 10 0 BEAERO Cc1nc2ccccn2c1C[NH2+][C@H]1C[C@@H]1C ZINC000052273852 180107901 /nfs/dbraw/zinc/10/79/01/180107901.db2.gz SBDIRPCICOUTOC-ONGXEEELSA-N 1 0 215.300 2.141 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000133059329 191036158 /nfs/dbraw/zinc/03/61/58/191036158.db2.gz NBODHLMVSXIHSO-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO CC1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000133050431 191036383 /nfs/dbraw/zinc/03/63/83/191036383.db2.gz LTRWPOSKMUAKRN-UHFFFAOYSA-N 1 0 211.349 2.317 10 0 BEAERO OCCC1(C[NH2+]C2CCCCCC2)CC1 ZINC000133054388 191036433 /nfs/dbraw/zinc/03/64/33/191036433.db2.gz BPHTVXIDZPJGCV-UHFFFAOYSA-N 1 0 211.349 2.461 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccco1 ZINC000133128268 191037607 /nfs/dbraw/zinc/03/76/07/191037607.db2.gz UNHNMMDYUQTPKP-SNVBAGLBSA-N 1 0 209.289 2.093 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccco1 ZINC000133128098 191038381 /nfs/dbraw/zinc/03/83/81/191038381.db2.gz UNHNMMDYUQTPKP-JTQLQIEISA-N 1 0 209.289 2.093 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513966 350161008 /nfs/dbraw/zinc/16/10/08/350161008.db2.gz DRCGNHXMUPJQKP-FQUUOJAGSA-N 1 0 222.376 2.249 10 0 BEAERO CSCCCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000133698913 191041937 /nfs/dbraw/zinc/04/19/37/191041937.db2.gz JTQNTIWBTCRLFO-RYUDHWBXSA-N 1 0 242.432 2.344 10 0 BEAERO CSCCCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000133699102 191042035 /nfs/dbraw/zinc/04/20/35/191042035.db2.gz JTQNTIWBTCRLFO-VXGBXAGGSA-N 1 0 242.432 2.344 10 0 BEAERO c1ccc(C[C@@H]2OC[C@@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000031703257 350171469 /nfs/dbraw/zinc/17/14/69/350171469.db2.gz BFIHVAAIQMHVLM-QLFBSQMISA-N 1 0 247.338 2.113 10 0 BEAERO Cc1ncc(Cn2c(N)[nH+]c3ccccc32)s1 ZINC000049534180 180161950 /nfs/dbraw/zinc/16/19/50/180161950.db2.gz PPMFQHXEBKXYPI-UHFFFAOYSA-N 1 0 244.323 2.432 10 0 BEAERO Cc1ncc(CNC2=[NH+]C[C@@H](C)S2)s1 ZINC000049534276 180150455 /nfs/dbraw/zinc/15/04/55/180150455.db2.gz AIWJTYHLSHCLPQ-ZCFIWIBFSA-N 1 0 227.358 2.032 10 0 BEAERO Cc1nccc(C[NH2+][C@@H](C)C2CCCC2)n1 ZINC000054080880 180191830 /nfs/dbraw/zinc/19/18/30/180191830.db2.gz KALXMGNYLQFWFM-JTQLQIEISA-N 1 0 219.332 2.453 10 0 BEAERO Cc1nccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)n1 ZINC000302364046 180189631 /nfs/dbraw/zinc/18/96/31/180189631.db2.gz GXOQJIOBNONZQZ-SNVBAGLBSA-N 1 0 241.285 2.310 10 0 BEAERO Cc1ncccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250896927 180225962 /nfs/dbraw/zinc/22/59/62/180225962.db2.gz WWMSYRVMYFQVHR-OLZOCXBDSA-N 1 0 231.343 2.429 10 0 BEAERO Cc1nccn1-c1cc(C[NH2+]CC(C)C)ccn1 ZINC000051490998 180229308 /nfs/dbraw/zinc/22/93/08/180229308.db2.gz VQBMBIZKXWFTLA-UHFFFAOYSA-N 1 0 244.342 2.321 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1c1noc(C2CCCC2)n1 ZINC000074044786 350236870 /nfs/dbraw/zinc/23/68/70/350236870.db2.gz JJFHXKWOVXQTPB-ZJUUUORDSA-N 1 0 221.304 2.322 10 0 BEAERO Cc1nccn1[C@H](C)C[NH2+]C1CCCC1 ZINC000053500420 180272551 /nfs/dbraw/zinc/27/25/51/180272551.db2.gz QVEKGHHXZSSDIN-SNVBAGLBSA-N 1 0 207.321 2.285 10 0 BEAERO COC1(OC)CC[C@@H](C(C)C)C[C@@H]1CC[NH3+] ZINC000725261834 538087888 /nfs/dbraw/zinc/08/78/88/538087888.db2.gz JTLMGUVWTRFRKD-NEPJUHHUSA-N 1 0 229.364 2.397 10 0 BEAERO COC1(OC)C[C@H](C)C[C@H](C)[C@@H]1CC[NH3+] ZINC000725261712 538087221 /nfs/dbraw/zinc/08/72/21/538087221.db2.gz DFIDKDFLQWADKD-VWYCJHECSA-N 1 0 215.337 2.007 10 0 BEAERO Cc1nccn1[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000023067763 180271678 /nfs/dbraw/zinc/27/16/78/180271678.db2.gz JKRGFVMYJNGOCQ-MFKMUULPSA-N 1 0 215.300 2.453 10 0 BEAERO Cc1nccn1[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000043016621 180271864 /nfs/dbraw/zinc/27/18/64/180271864.db2.gz VJKBENFIQUIXNG-GFCCVEGCSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1nccn1[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042973156 180272265 /nfs/dbraw/zinc/27/22/65/180272265.db2.gz MQCRFLSXJNETHD-ZANVPECISA-N 1 0 233.290 2.267 10 0 BEAERO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cn[nH]c1 ZINC000038005855 350296663 /nfs/dbraw/zinc/29/66/63/350296663.db2.gz ZPDPJYONCUINNS-LLVKDONJSA-N 1 0 245.326 2.226 10 0 BEAERO Cc1ncn([C@@H]([C@@H](C)[NH3+])C(C)(C)C)c1C ZINC000051925563 180289680 /nfs/dbraw/zinc/28/96/80/180289680.db2.gz DVYJMLBASGHKHK-KCJUWKMLSA-N 1 0 209.337 2.434 10 0 BEAERO Cc1ncn([C@H](c2ccsc2)[C@H](C)[NH3+])c1C ZINC000051925926 180289843 /nfs/dbraw/zinc/28/98/43/180289843.db2.gz NFQIHXUGFQNRAE-UFBFGSQYSA-N 1 0 235.356 2.498 10 0 BEAERO Cc1ncn([C@@H](c2ccco2)[C@H](C)[NH3+])c1C ZINC000051925857 180290112 /nfs/dbraw/zinc/29/01/12/180290112.db2.gz WDUPEBQEOUGWGX-QPUJVOFHSA-N 1 0 219.288 2.030 10 0 BEAERO Cc1ncnc(C)c1[C@H](C)C[NH2+]C(C)C ZINC000054854989 180291170 /nfs/dbraw/zinc/29/11/70/180291170.db2.gz ZGCQDZWARYIPMC-SECBINFHSA-N 1 0 207.321 2.195 10 0 BEAERO Cc1ncn(-c2ccc(F)cc2C[NH3+])c1C ZINC000051927443 180286172 /nfs/dbraw/zinc/28/61/72/180286172.db2.gz ICTIWXMWVNQRFU-UHFFFAOYSA-N 1 0 219.263 2.087 10 0 BEAERO CC(C)CC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264027 538090662 /nfs/dbraw/zinc/09/06/62/538090662.db2.gz GORHSXZZFAXTKF-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000037738994 180326703 /nfs/dbraw/zinc/32/67/03/180326703.db2.gz LXGDSWJMMKKWPG-SCZZXKLOSA-N 1 0 226.345 2.139 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000134126675 180327202 /nfs/dbraw/zinc/32/72/02/180327202.db2.gz ZEMRJARRMDLFHT-NRPADANISA-N 1 0 228.361 2.119 10 0 BEAERO CCC(C)(C)NC(=O)N[C@]1(CC)CCC[NH2+]C1 ZINC000725264231 538090776 /nfs/dbraw/zinc/09/07/76/538090776.db2.gz QGORRLIDPBFYHY-CYBMUJFWSA-N 1 0 241.379 2.006 10 0 BEAERO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)C(C)(C)C ZINC000172263291 490490267 /nfs/dbraw/zinc/49/02/67/490490267.db2.gz KTEDJSYHXJPBID-SECBINFHSA-N 1 0 236.363 2.217 10 0 BEAERO Cc1ncsc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000164623692 180324198 /nfs/dbraw/zinc/32/41/98/180324198.db2.gz OAWLGERVHJYTCE-QWRGUYRKSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1nn(C)c(C)c1[C@H]([NH3+])c1ccc(F)cc1 ZINC000075871758 180348666 /nfs/dbraw/zinc/34/86/66/180348666.db2.gz AVTCKHKCLXJKBQ-CYBMUJFWSA-N 1 0 233.290 2.224 10 0 BEAERO Cc1nn(C)c(N(CC(C)C)C(C)C)c1C[NH3+] ZINC000042588883 180354003 /nfs/dbraw/zinc/35/40/03/180354003.db2.gz GPXDMOMFQARINL-UHFFFAOYSA-N 1 0 238.379 2.058 10 0 BEAERO CC(C)(C)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000616592000 350439592 /nfs/dbraw/zinc/43/95/92/350439592.db2.gz GMXQIEZOAPXETH-NSHDSACASA-N 1 0 218.344 2.423 10 0 BEAERO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cncnc1 ZINC000126987465 490531474 /nfs/dbraw/zinc/53/14/74/490531474.db2.gz PSXAZVALELCYQX-ZDUSSCGKSA-N 1 0 219.332 2.487 10 0 BEAERO CC(C)(C)C(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725265229 538091636 /nfs/dbraw/zinc/09/16/36/538091636.db2.gz RPUYVNREDIOMRR-NSHDSACASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H](C[N@@H+]1CCCCC[C@@H]1C)C(N)=S ZINC000226733348 350451180 /nfs/dbraw/zinc/45/11/80/350451180.db2.gz IDSAPEDAZYCPBY-UWVGGRQHSA-N 1 0 214.378 2.173 10 0 BEAERO OCCC1(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000133062932 191104678 /nfs/dbraw/zinc/10/46/78/191104678.db2.gz QOVVZLMGXXIXQO-UHFFFAOYSA-N 1 0 223.291 2.078 10 0 BEAERO c1cnc2cccc([C@@H]3CC[NH2+]CCO3)c2c1 ZINC000616592809 350474391 /nfs/dbraw/zinc/47/43/91/350474391.db2.gz GKNLDYSXMQEVCX-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO C[C@@H](c1ccccc1)c1cc(C[NH3+])ncn1 ZINC000409436499 350479486 /nfs/dbraw/zinc/47/94/86/350479486.db2.gz CKRBQTDADMJIQW-JTQLQIEISA-N 1 0 213.284 2.087 10 0 BEAERO C[C@@H](Oc1ccccc1)c1cc(C[NH3+])ncn1 ZINC000409436510 350479784 /nfs/dbraw/zinc/47/97/84/350479784.db2.gz CURSELSIULOERU-SNVBAGLBSA-N 1 0 229.283 2.075 10 0 BEAERO C[NH2+]Cc1c(CC(C)C)[nH]nc1C1CC1 ZINC000409439983 350482360 /nfs/dbraw/zinc/48/23/60/350482360.db2.gz LHWYNKZPLHXQIF-UHFFFAOYSA-N 1 0 207.321 2.205 10 0 BEAERO c1cnc2cccc([C@H]3CC[NH2+]CCO3)c2c1 ZINC000616592964 350488845 /nfs/dbraw/zinc/48/88/45/350488845.db2.gz GKNLDYSXMQEVCX-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO Cc1nn([C@@H](C[NH3+])c2ccccc2F)c(C)c1C ZINC000043046348 180391922 /nfs/dbraw/zinc/39/19/22/180391922.db2.gz SENHEZUPTSWBJP-AWEZNQCLSA-N 1 0 247.317 2.496 10 0 BEAERO Cc1nn([C@@H]2CCC[C@H]2C[NH3+])c(C)c1C ZINC000040729117 180392089 /nfs/dbraw/zinc/39/20/89/180392089.db2.gz GFBLZJUMMOGNOW-NWDGAFQWSA-N 1 0 207.321 2.108 10 0 BEAERO Cc1nn([C@@H]2CC[N@@H+](C(C)C)C2)c(N)c1Cl ZINC000045658302 180392233 /nfs/dbraw/zinc/39/22/33/180392233.db2.gz DRSHLQBATSGWMW-SECBINFHSA-N 1 0 242.754 2.082 10 0 BEAERO Cc1nn(Cc2occc2C[NH3+])c(C)c1Cl ZINC000052573877 180392320 /nfs/dbraw/zinc/39/23/20/180392320.db2.gz PAGDFBSNATYYRN-UHFFFAOYSA-N 1 0 239.706 2.253 10 0 BEAERO Cc1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1 ZINC000035255398 358456904 /nfs/dbraw/zinc/45/69/04/358456904.db2.gz YMPNJXDLZGUPBT-UHFFFAOYSA-N 1 0 246.354 2.129 10 0 BEAERO Cc1nn(CC(C)C)c(C)c1C[C@H](C)[NH3+] ZINC000054741002 180386589 /nfs/dbraw/zinc/38/65/89/180386589.db2.gz NNPXIHCEWUUXOA-VIFPVBQESA-N 1 0 209.337 2.046 10 0 BEAERO Cc1nn(C[C@H]2CCCC[NH2+]2)c(C)c1Cl ZINC000050586800 180390640 /nfs/dbraw/zinc/39/06/40/180390640.db2.gz OINPHPFVDDRNOY-SNVBAGLBSA-N 1 0 227.739 2.295 10 0 BEAERO c1csc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)c1 ZINC000725266100 538094396 /nfs/dbraw/zinc/09/43/96/538094396.db2.gz MIQPIQQWFCZLGX-SNVBAGLBSA-N 1 0 248.355 2.321 10 0 BEAERO Cc1nn(C[C@@H]2CCCC[NH2+]2)c(C)c1Cl ZINC000050586798 180391005 /nfs/dbraw/zinc/39/10/05/180391005.db2.gz OINPHPFVDDRNOY-JTQLQIEISA-N 1 0 227.739 2.295 10 0 BEAERO CCc1csc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000061894859 350532613 /nfs/dbraw/zinc/53/26/13/350532613.db2.gz RDFDMOWMLBYJTG-SECBINFHSA-N 1 0 225.361 2.117 10 0 BEAERO COCC[NH2+]CC[C@H](CO)[C@H]1CCC[C@@H](C)C1 ZINC000725267188 538097663 /nfs/dbraw/zinc/09/76/63/538097663.db2.gz UZEOSMRDXPVBMQ-HZSPNIEDSA-N 1 0 243.391 2.047 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cncnc2)CC1 ZINC000616596235 350631022 /nfs/dbraw/zinc/63/10/22/350631022.db2.gz SWASMSZYYDFEKD-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CCC(CC)[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000725267432 538098245 /nfs/dbraw/zinc/09/82/45/538098245.db2.gz GUCCFMLDQDSJCH-ZDUSSCGKSA-N 1 0 243.391 2.190 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccccc1CCO ZINC000616598259 350659189 /nfs/dbraw/zinc/65/91/89/350659189.db2.gz JDCHZHOYRBXXKL-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO CC(C)N(C)c1c(N)c[nH+]cc1Br ZINC000232629590 350662499 /nfs/dbraw/zinc/66/24/99/350662499.db2.gz CTOVTXLUGIYKCG-UHFFFAOYSA-N 1 0 244.136 2.271 10 0 BEAERO CCC[N@@H+]1C[C@H]2CCCCN2C[C@H]1CC ZINC000252693094 538098765 /nfs/dbraw/zinc/09/87/65/538098765.db2.gz GTNHXGFCZYSWGZ-CHWSQXEVSA-N 1 0 210.365 2.345 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616599457 350749394 /nfs/dbraw/zinc/74/93/94/350749394.db2.gz YNSSSBJZROPJJB-AWEZNQCLSA-N 1 0 242.322 2.280 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1cnnc2ccccc21 ZINC000616599623 350754680 /nfs/dbraw/zinc/75/46/80/350754680.db2.gz MJXWOFYMECLPMK-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccc(N)cc1 ZINC000616599771 350758278 /nfs/dbraw/zinc/75/82/78/350758278.db2.gz OVQVKNJPKNIVTA-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO CCC(CC)[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000725267534 538099231 /nfs/dbraw/zinc/09/92/31/538099231.db2.gz NZFNPZZSDGJEIK-CHWSQXEVSA-N 1 0 243.391 2.190 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1ccc(Br)cn1 ZINC000063025422 350780662 /nfs/dbraw/zinc/78/06/62/350780662.db2.gz LBDJJEHTJBSGSL-SNVBAGLBSA-N 1 0 243.148 2.370 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2cccc(CCO)c2)C1 ZINC000616601552 350782147 /nfs/dbraw/zinc/78/21/47/350782147.db2.gz CSHJPNSCOIJMPH-HNNXBMFYSA-N 1 0 233.355 2.421 10 0 BEAERO c1cc2nnccc2c([C@H]2CCCC[NH2+]C2)c1 ZINC000616602698 350788082 /nfs/dbraw/zinc/78/80/82/350788082.db2.gz NWIFJDJYSMVPHP-NSHDSACASA-N 1 0 227.311 2.487 10 0 BEAERO OCc1ccccc1[C@H]1CCC[NH2+]CC1 ZINC000616603568 350790265 /nfs/dbraw/zinc/79/02/65/350790265.db2.gz YJOQJQLPRVNDBG-NSHDSACASA-N 1 0 205.301 2.036 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616602358 350790985 /nfs/dbraw/zinc/79/09/85/350790985.db2.gz LYUXCVCNWWHIQU-AWEZNQCLSA-N 1 0 246.354 2.375 10 0 BEAERO CCN1CC[NH2+][C@@H](c2ccnc3ccccc32)C1 ZINC000616602097 350790988 /nfs/dbraw/zinc/79/09/88/350790988.db2.gz WVUPSSZIDSMOLH-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2cccc(N)c2)C1 ZINC000616605042 350794101 /nfs/dbraw/zinc/79/41/01/350794101.db2.gz KTLJUTQDCSOGNK-GFCCVEGCSA-N 1 0 204.317 2.468 10 0 BEAERO OCC[N@@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616603946 350795610 /nfs/dbraw/zinc/79/56/10/350795610.db2.gz KTNCLPCXQLBJBP-ZDUSSCGKSA-N 1 0 237.318 2.388 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000616607125 350800515 /nfs/dbraw/zinc/80/05/15/350800515.db2.gz HFJOJPNJPQHAKC-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccnc(N)c1 ZINC000616607420 350800872 /nfs/dbraw/zinc/80/08/72/350800872.db2.gz IUFHWCPBRLCRIK-LLVKDONJSA-N 1 0 219.332 2.430 10 0 BEAERO CC[N@@H+]1CCC[C@H]1c1cccc(CO)c1 ZINC000616607371 350801079 /nfs/dbraw/zinc/80/10/79/350801079.db2.gz OTFWRSHRQDNVQN-ZDUSSCGKSA-N 1 0 205.301 2.336 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2CCC[N@H+]2C)cc1 ZINC000616607914 350801841 /nfs/dbraw/zinc/80/18/41/350801841.db2.gz WVSQKPDBGQLYOQ-ZDUSSCGKSA-N 1 0 218.300 2.412 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1ccc2ccncc2c1 ZINC000616608361 350804341 /nfs/dbraw/zinc/80/43/41/350804341.db2.gz RDMOYYRAFBWPNI-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1ccc2ccncc2c1 ZINC000616608365 350804481 /nfs/dbraw/zinc/80/44/81/350804481.db2.gz RIMPVPDYZXEPAV-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO C[C@H]1SCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000306674575 350823804 /nfs/dbraw/zinc/82/38/04/350823804.db2.gz QRJNVURLHJCFDL-SVRRBLITSA-N 1 0 207.289 2.268 10 0 BEAERO c1ccc2c(c1)nncc2C1CC[NH2+]CC1 ZINC000616608973 350805669 /nfs/dbraw/zinc/80/56/69/350805669.db2.gz IRKILTPFWQPGSF-UHFFFAOYSA-N 1 0 213.284 2.097 10 0 BEAERO c1cc2nnccc2c([C@@H]2CCC[NH2+]C2)c1 ZINC000616610416 350805676 /nfs/dbraw/zinc/80/56/76/350805676.db2.gz IJYFYYFSFVUGPV-SNVBAGLBSA-N 1 0 213.284 2.097 10 0 BEAERO CC(C)CSC1=[NH+]CC(C)(C)CN1 ZINC000306678908 350833658 /nfs/dbraw/zinc/83/36/58/350833658.db2.gz AOWNUXONZQAASB-UHFFFAOYSA-N 1 0 200.351 2.361 10 0 BEAERO [NH2+]=C(NC1CC1)c1ccc(Cl)s1 ZINC000306678116 350833697 /nfs/dbraw/zinc/83/36/97/350833697.db2.gz HLTNWOKCFONJRJ-UHFFFAOYSA-N 1 0 200.694 2.479 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2ccccc2CO)C1 ZINC000616614847 350840337 /nfs/dbraw/zinc/84/03/37/350840337.db2.gz XMDMZURFFKCJEC-GFCCVEGCSA-N 1 0 219.328 2.377 10 0 BEAERO Cc1cc(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)sn1 ZINC000306684321 350842170 /nfs/dbraw/zinc/84/21/70/350842170.db2.gz ZOKSEDYWQKYWRV-RKDXNWHRSA-N 1 0 224.329 2.022 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1c1ncccn1 ZINC000616615085 350844810 /nfs/dbraw/zinc/84/48/10/350844810.db2.gz BRRSHXUWLGBYHA-NSHDSACASA-N 1 0 205.305 2.412 10 0 BEAERO C[NH+](C)C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000306700523 350848979 /nfs/dbraw/zinc/84/89/79/350848979.db2.gz FOMPSHSWRMNRHU-JTQLQIEISA-N 1 0 211.692 2.205 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)[NH2+][C@H]1C ZINC000306704850 350853344 /nfs/dbraw/zinc/85/33/44/350853344.db2.gz CKBBTLVHQUMMCP-DYEKYZERSA-N 1 0 246.354 2.079 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ccnnc2)C1 ZINC000616617145 350862259 /nfs/dbraw/zinc/86/22/59/350862259.db2.gz JHENHFKZYPTHBO-GFCCVEGCSA-N 1 0 205.305 2.064 10 0 BEAERO CSCC[N@@H+]1C[C@@H]2CC[C@@H](F)[C@@H]2C1 ZINC000306676202 350828530 /nfs/dbraw/zinc/82/85/30/350828530.db2.gz VLTSEPDCOYMPMP-IVZWLZJFSA-N 1 0 203.326 2.029 10 0 BEAERO [NH3+]Cc1cnn(Cc2csc(Cl)c2)c1 ZINC000306728012 350898800 /nfs/dbraw/zinc/89/88/00/350898800.db2.gz NEADPJILYQBCMI-UHFFFAOYSA-N 1 0 227.720 2.105 10 0 BEAERO CCON[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000306727927 350898855 /nfs/dbraw/zinc/89/88/55/350898855.db2.gz MZEFPICFRQAWPS-GXTWGEPZSA-N 1 0 234.343 2.191 10 0 BEAERO CCNC(=[NH2+])Nc1ccc(Br)cc1 ZINC000052069643 350901072 /nfs/dbraw/zinc/90/10/72/350901072.db2.gz QNHCJFIPJDLSLG-UHFFFAOYSA-N 1 0 242.120 2.405 10 0 BEAERO O=C(CC1CC1)[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000306731984 350901797 /nfs/dbraw/zinc/90/17/97/350901797.db2.gz REVAFFRDAIFFJL-IJLUTSLNSA-N 1 0 207.317 2.134 10 0 BEAERO CNC(=[NH2+])Nc1ccc(Br)cc1C ZINC000052069309 350901835 /nfs/dbraw/zinc/90/18/35/350901835.db2.gz AXAPXQHSQJWFBB-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO CNC(=[NH2+])Nc1ccc(Br)cc1F ZINC000052069407 350901866 /nfs/dbraw/zinc/90/18/66/350901866.db2.gz SALJRZHUHBZKDG-UHFFFAOYSA-N 1 0 246.083 2.154 10 0 BEAERO C[NH2+]C1(C(=O)c2ccccc2F)CCC1 ZINC000306733242 350903429 /nfs/dbraw/zinc/90/34/29/350903429.db2.gz STAYWRUNLPLLTG-UHFFFAOYSA-N 1 0 207.248 2.151 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cncnc2)C1 ZINC000616618436 350910049 /nfs/dbraw/zinc/91/00/49/350910049.db2.gz VBYFVYZDOHQZGO-NSHDSACASA-N 1 0 205.305 2.064 10 0 BEAERO CCNC(=[NH2+])Nc1ccc(Cl)c(F)c1 ZINC000052091768 350917501 /nfs/dbraw/zinc/91/75/01/350917501.db2.gz OVIATWLURMDURE-UHFFFAOYSA-N 1 0 215.659 2.435 10 0 BEAERO C[NH+]1CCC(c2cnnc3ccccc32)CC1 ZINC000616618967 350925720 /nfs/dbraw/zinc/92/57/20/350925720.db2.gz AVGGLTAGFUYKTH-UHFFFAOYSA-N 1 0 227.311 2.439 10 0 BEAERO CC(C)[NH+]1CCC(c2cccc(N)n2)CC1 ZINC000616619009 350925875 /nfs/dbraw/zinc/92/58/75/350925875.db2.gz DMEUABNQZZDLPW-UHFFFAOYSA-N 1 0 219.332 2.252 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2cccnn2)CC1 ZINC000616619063 350926162 /nfs/dbraw/zinc/92/61/62/350926162.db2.gz AJBJCGPONQQJOA-UHFFFAOYSA-N 1 0 219.332 2.455 10 0 BEAERO CC[NH+]1CCC(c2cccc(CO)c2)CC1 ZINC000616619320 350926949 /nfs/dbraw/zinc/92/69/49/350926949.db2.gz JQVBQQJZCAYBKI-UHFFFAOYSA-N 1 0 219.328 2.378 10 0 BEAERO CC[NH+]1CCC(c2cccc(CCO)c2)CC1 ZINC000616619685 350927672 /nfs/dbraw/zinc/92/76/72/350927672.db2.gz VRHOFVWUZLQJHV-UHFFFAOYSA-N 1 0 233.355 2.421 10 0 BEAERO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CCCF ZINC000306746574 350934837 /nfs/dbraw/zinc/93/48/37/350934837.db2.gz BTZKSRRMAYXOIH-SNVBAGLBSA-N 1 0 248.342 2.096 10 0 BEAERO CNC(=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000052019584 350887261 /nfs/dbraw/zinc/88/72/61/350887261.db2.gz BNWIMQFLMBHJOT-UHFFFAOYSA-N 1 0 201.632 2.045 10 0 BEAERO C[C@H]([NH3+])c1cccn1Cc1cncs1 ZINC000159655425 350960435 /nfs/dbraw/zinc/96/04/35/350960435.db2.gz PYINKDXBDANFKO-QMMMGPOBSA-N 1 0 207.302 2.013 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cncnc2)C1 ZINC000616621170 350985945 /nfs/dbraw/zinc/98/59/45/350985945.db2.gz PQSOTRQOQVAKLF-LLVKDONJSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)([NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000129108226 350989402 /nfs/dbraw/zinc/98/94/02/350989402.db2.gz QMEBEEGLAGPZBZ-ZETCQYMHSA-N 1 0 205.710 2.172 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2conn2)C1 ZINC000616621312 351027402 /nfs/dbraw/zinc/02/74/02/351027402.db2.gz QTHMZKHLFPHCGD-SECBINFHSA-N 1 0 209.293 2.048 10 0 BEAERO [NH3+][C@H](c1nccs1)[C@H]1CCCSC1 ZINC000306796649 351047311 /nfs/dbraw/zinc/04/73/11/351047311.db2.gz WVHHXVNHSOQDIF-YUMQZZPRSA-N 1 0 214.359 2.286 10 0 BEAERO Brc1cc(C[C@@H]2CC[NH2+]C2)co1 ZINC000306806179 351057966 /nfs/dbraw/zinc/05/79/66/351057966.db2.gz IYFFPKRKZXUSEV-ZETCQYMHSA-N 1 0 230.105 2.194 10 0 BEAERO Cc1cocc1C(=O)C1(C[NH3+])CCCC1 ZINC000306807648 351060474 /nfs/dbraw/zinc/06/04/74/351060474.db2.gz MYAZZRBYCAKFBI-UHFFFAOYSA-N 1 0 207.273 2.290 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1Cc1cncs1 ZINC000159832005 351010673 /nfs/dbraw/zinc/01/06/73/351010673.db2.gz LSZAJMMKTFSVTK-UWVGGRQHSA-N 1 0 210.346 2.451 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccncn2)CC1 ZINC000616630059 351101987 /nfs/dbraw/zinc/10/19/87/351101987.db2.gz UTEZCNKXQKSNRN-NSHDSACASA-N 1 0 205.305 2.066 10 0 BEAERO OCC[N@@H+]1CCC[C@H](c2cccc(F)c2)CC1 ZINC000616630259 351102903 /nfs/dbraw/zinc/10/29/03/351102903.db2.gz ZWWCOTKXJBTTDD-LBPRGKRZSA-N 1 0 237.318 2.388 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cnno2)CC1 ZINC000616626854 351106990 /nfs/dbraw/zinc/10/69/90/351106990.db2.gz CMNOBXSXIXEDDI-JTQLQIEISA-N 1 0 209.293 2.048 10 0 BEAERO COc1cccc([C@@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616627308 351107537 /nfs/dbraw/zinc/10/75/37/351107537.db2.gz HREYBTMKITUZNG-CYBMUJFWSA-N 1 0 248.370 2.223 10 0 BEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cccc(N)c2)C1 ZINC000616631801 351108551 /nfs/dbraw/zinc/10/85/51/351108551.db2.gz DCDXQAQGPMOBQF-CYBMUJFWSA-N 1 0 233.359 2.014 10 0 BEAERO COc1cccc([C@H]2C[N@@H+](C(C)(C)C)CCN2)c1 ZINC000616631861 351109017 /nfs/dbraw/zinc/10/90/17/351109017.db2.gz HJRJGWDNFUBBOW-CQSZACIVSA-N 1 0 248.370 2.440 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1cccc2ccncc21 ZINC000616633629 351116385 /nfs/dbraw/zinc/11/63/85/351116385.db2.gz OTGPEAUEBZFRGM-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO C[C@@H](c1ccccc1)N(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516986 351070421 /nfs/dbraw/zinc/07/04/21/351070421.db2.gz WJRDIPXVTNLFEQ-SWLSCSKDSA-N 1 0 246.354 2.348 10 0 BEAERO CCC[N@@H+](CC(=O)NC(C)(C)CC)CC1CC1 ZINC000052891246 351076648 /nfs/dbraw/zinc/07/66/48/351076648.db2.gz HEHBHNRBXYVHNZ-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2cccc3cnccc32)C1 ZINC000616626009 351086909 /nfs/dbraw/zinc/08/69/09/351086909.db2.gz OSJQDQYMQWEECR-CYBMUJFWSA-N 1 0 242.322 2.016 10 0 BEAERO Nc1ccccc1[C@H]1CCCCCN1CC[NH3+] ZINC000616623140 351088619 /nfs/dbraw/zinc/08/86/19/351088619.db2.gz CAMAZQLUUNDJBE-CQSZACIVSA-N 1 0 233.359 2.145 10 0 BEAERO [NH3+]CCN1CCCCC[C@@H]1c1ccc(CO)cc1 ZINC000616623880 351090093 /nfs/dbraw/zinc/09/00/93/351090093.db2.gz KXHLFIWSZDBWKG-OAHLLOKOSA-N 1 0 248.370 2.055 10 0 BEAERO Nc1ccc([C@H]2CCCCC[N@@H+]2CCO)cc1 ZINC000616624333 351091713 /nfs/dbraw/zinc/09/17/13/351091713.db2.gz YQUXFVOCJUZSMP-CQSZACIVSA-N 1 0 234.343 2.178 10 0 BEAERO OCC[N@@H+]1CCCCC[C@H]1c1cccc(CO)c1 ZINC000616625082 351092528 /nfs/dbraw/zinc/09/25/28/351092528.db2.gz KVRYTWPEAQSGBY-HNNXBMFYSA-N 1 0 249.354 2.088 10 0 BEAERO CNc1ccccc1[C@H]1CCCN(CC[NH3+])CC1 ZINC000616628600 351098314 /nfs/dbraw/zinc/09/83/14/351098314.db2.gz NLJLDFVBBVPHHP-ZDUSSCGKSA-N 1 0 247.386 2.257 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2ccccc2CCO)C1 ZINC000616629222 351100044 /nfs/dbraw/zinc/10/00/44/351100044.db2.gz QNNIZPLOYSDEDG-AWEZNQCLSA-N 1 0 233.355 2.421 10 0 BEAERO [NH3+]Cc1ccc(Cl)c(OC(F)F)c1 ZINC000306833191 351146031 /nfs/dbraw/zinc/14/60/31/351146031.db2.gz PLQHYLIXDQHUHZ-UHFFFAOYSA-N 1 0 207.607 2.400 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccc(CO)cc1 ZINC000616641167 351148094 /nfs/dbraw/zinc/14/80/94/351148094.db2.gz CJMRZIVGQYZEII-AWEZNQCLSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H]1c1cccc(N)c1 ZINC000616641724 351151032 /nfs/dbraw/zinc/15/10/32/351151032.db2.gz NHFTZCFUIVKDPR-ZDUSSCGKSA-N 1 0 220.316 2.051 10 0 BEAERO [NH3+][C@@H](c1cccs1)c1ccncc1F ZINC000133552587 351158366 /nfs/dbraw/zinc/15/83/66/351158366.db2.gz DYRHABGITIXMSF-SNVBAGLBSA-N 1 0 208.261 2.330 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc(CO)c2)C1 ZINC000616646324 351170265 /nfs/dbraw/zinc/17/02/65/351170265.db2.gz ZPMTYISEDPVKPL-CQSZACIVSA-N 1 0 249.354 2.351 10 0 BEAERO CC[N@@H+]1CCCOC[C@H]1c1ccccc1OC ZINC000616649976 351172396 /nfs/dbraw/zinc/17/23/96/351172396.db2.gz SDHADLPPWZQVRO-ZDUSSCGKSA-N 1 0 235.327 2.479 10 0 BEAERO CC[N@@H+]1CCCO[C@H](c2ccc(N)cc2)C1 ZINC000616648816 351177148 /nfs/dbraw/zinc/17/71/48/351177148.db2.gz CZFYKLPFTALVES-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](c2cccc(CO)c2)C1 ZINC000616649365 351177675 /nfs/dbraw/zinc/17/76/75/351177675.db2.gz GBHZZVQJKWFJBZ-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO C[N@@H+]1CCCOC[C@H]1c1ccc2nnccc2c1 ZINC000616649598 351178484 /nfs/dbraw/zinc/17/84/84/351178484.db2.gz MVOKXYSKVZSWRS-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO COc1ccc([C@H]2C[N@H+](C)CCCO2)cc1 ZINC000616652540 351185349 /nfs/dbraw/zinc/18/53/49/351185349.db2.gz PUKCJMWNFGLLCK-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO COc1ccccc1[C@@H]1C[N@H+](C)CCCO1 ZINC000616652764 351185925 /nfs/dbraw/zinc/18/59/25/351185925.db2.gz WGSLRAQYZYXMRZ-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2c[nH]nc2N)C1 ZINC000616653996 351194774 /nfs/dbraw/zinc/19/47/74/351194774.db2.gz IJEDYMPCJSPPMF-SNVBAGLBSA-N 1 0 236.363 2.190 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccc2ccccc2n1 ZINC000616636903 351130756 /nfs/dbraw/zinc/13/07/56/351130756.db2.gz GJFPXUXAJCDSOQ-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc(N)c1 ZINC000616637486 351133065 /nfs/dbraw/zinc/13/30/65/351133065.db2.gz NHFTZCFUIVKDPR-CYBMUJFWSA-N 1 0 220.316 2.051 10 0 BEAERO CNc1cccc([C@@H]2CNCC[N@@H+]2C(C)(C)C)c1 ZINC000616637204 351133712 /nfs/dbraw/zinc/13/37/12/351133712.db2.gz JASWBDLTVRNOTK-AWEZNQCLSA-N 1 0 247.386 2.473 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]Cc2cnn[nH]2)CC(C)(C)C1 ZINC000398405298 351137299 /nfs/dbraw/zinc/13/72/99/351137299.db2.gz OSTIKRSZPIKDPV-ZJUUUORDSA-N 1 0 222.336 2.109 10 0 BEAERO [NH3+]C[C@H]1CCN(c2ccsc2Cl)C1 ZINC000306831930 351144738 /nfs/dbraw/zinc/14/47/38/351144738.db2.gz NHOPHWYOBZODKN-SSDOTTSWSA-N 1 0 216.737 2.187 10 0 BEAERO [NH3+]C[C@@H]1CCN(c2ccsc2Cl)C1 ZINC000306831931 351144849 /nfs/dbraw/zinc/14/48/49/351144849.db2.gz NHOPHWYOBZODKN-ZETCQYMHSA-N 1 0 216.737 2.187 10 0 BEAERO CC(C)N1c2ccccc2CC[C@H]1C[NH3+] ZINC000616669467 351228849 /nfs/dbraw/zinc/22/88/49/351228849.db2.gz IVKQYVKOOJBFMU-LBPRGKRZSA-N 1 0 204.317 2.175 10 0 BEAERO CCOC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000616676263 351241004 /nfs/dbraw/zinc/24/10/04/351241004.db2.gz XHYODZVDXQRFLH-SNVBAGLBSA-N 1 0 234.299 2.096 10 0 BEAERO c1cc(CNC2=[NH+]CCCS2)cs1 ZINC000063154058 351263766 /nfs/dbraw/zinc/26/37/66/351263766.db2.gz JFMGTBUELFDNKH-UHFFFAOYSA-N 1 0 212.343 2.331 10 0 BEAERO CCN1CCO[C@@H](c2ccccc2NC)C1 ZINC000616677679 351244593 /nfs/dbraw/zinc/24/45/93/351244593.db2.gz PQJSOZHGTGRLSL-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO C[C@]1(CNc2nccs2)CCCC[NH2+]1 ZINC000306863117 351245267 /nfs/dbraw/zinc/24/52/67/351245267.db2.gz JJBCWORNBWIIFO-SNVBAGLBSA-N 1 0 211.334 2.087 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1cncnc1 ZINC000616679760 351245947 /nfs/dbraw/zinc/24/59/47/351245947.db2.gz OGTJORDHLMLTFG-OAHLLOKOSA-N 1 0 239.322 2.444 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1ccccc1F ZINC000616656169 351202292 /nfs/dbraw/zinc/20/22/92/351202292.db2.gz CBXXLXVVBFELLD-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cn[nH]n2)C1 ZINC000616656332 351202570 /nfs/dbraw/zinc/20/25/70/351202570.db2.gz VSNGEFYIIZPJGN-SNVBAGLBSA-N 1 0 222.336 2.173 10 0 BEAERO c1cnc2c(c1)cccc2[C@H]1CCOCC[NH2+]1 ZINC000616658551 351204492 /nfs/dbraw/zinc/20/44/92/351204492.db2.gz IPTJPAFOZBWATL-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO c1ccc2c(c1)cncc2[C@H]1CCOCC[NH2+]1 ZINC000616658776 351205032 /nfs/dbraw/zinc/20/50/32/351205032.db2.gz KPQBXYJJWRPOCI-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2ccc(NC)cc2)C1 ZINC000616659504 351207018 /nfs/dbraw/zinc/20/70/18/351207018.db2.gz BGBBPMRRYJWNRN-ZDUSSCGKSA-N 1 0 234.343 2.164 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1cccc2ccnnc21 ZINC000616659375 351207361 /nfs/dbraw/zinc/20/73/61/351207361.db2.gz RGHOLDSVFXBPCP-ZDUSSCGKSA-N 1 0 243.310 2.023 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616661348 351209713 /nfs/dbraw/zinc/20/97/13/351209713.db2.gz QWGOIRYGSWACMS-AWEZNQCLSA-N 1 0 242.322 2.280 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2ccccc2F)C1 ZINC000616660664 351212912 /nfs/dbraw/zinc/21/29/12/351212912.db2.gz PDFWKYWDLONLEA-LLVKDONJSA-N 1 0 223.291 2.261 10 0 BEAERO Clc1ccc(N2CCC[NH2+]CC2)s1 ZINC000077308632 180581590 /nfs/dbraw/zinc/58/15/90/180581590.db2.gz XSBUJXODDSMWLG-UHFFFAOYSA-N 1 0 216.737 2.201 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2ccccc2OC)C1 ZINC000616662188 351217453 /nfs/dbraw/zinc/21/74/53/351217453.db2.gz XQTWEJZQYUDAFC-LBPRGKRZSA-N 1 0 235.327 2.131 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616662183 351217562 /nfs/dbraw/zinc/21/75/62/351217562.db2.gz XITNWTXDHGFBLA-AWEZNQCLSA-N 1 0 242.322 2.280 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cnco1 ZINC000616667449 351224061 /nfs/dbraw/zinc/22/40/61/351224061.db2.gz ARPATXUKYMQXEL-CYBMUJFWSA-N 1 0 243.310 2.127 10 0 BEAERO CC(C)[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616667856 351224994 /nfs/dbraw/zinc/22/49/94/351224994.db2.gz FSPSRYOMSCHYLG-CYBMUJFWSA-N 1 0 218.344 2.423 10 0 BEAERO C/C=C/CCNC(=[NH2+])NCc1ccccc1 ZINC000306882603 351288742 /nfs/dbraw/zinc/28/87/42/351288742.db2.gz JCFQYBUPAFYKCQ-NSCUHMNNSA-N 1 0 217.316 2.267 10 0 BEAERO N[C@H](CC[NH3+])c1c(Cl)ccc(Cl)c1F ZINC000306899307 351309627 /nfs/dbraw/zinc/30/96/27/351309627.db2.gz ZWYKWUDIKUEFDH-SSDOTTSWSA-N 1 0 237.105 2.481 10 0 BEAERO C[NH2+][C@H](C)c1occc1Br ZINC000068982561 351320105 /nfs/dbraw/zinc/32/01/05/351320105.db2.gz CNEBHUSTLZSXMN-RXMQYKEDSA-N 1 0 204.067 2.323 10 0 BEAERO CC(C)(C[NH3+])N(Cc1ccccc1)C1CC1 ZINC000168031747 351266370 /nfs/dbraw/zinc/26/63/70/351266370.db2.gz MAFFWGFWOHMYPT-UHFFFAOYSA-N 1 0 218.344 2.388 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000063176971 351269627 /nfs/dbraw/zinc/26/96/27/351269627.db2.gz RPXQWUOLNTUSBY-BDAKNGLRSA-N 1 0 211.696 2.027 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1Nc1ncccc1Cl ZINC000063177477 351269858 /nfs/dbraw/zinc/26/98/58/351269858.db2.gz QQKZPEKGXQVNMG-IUCAKERBSA-N 1 0 211.696 2.027 10 0 BEAERO Cc1ccc([C@@](C)(F)C[NH3+])c(F)c1F ZINC000231740304 351278861 /nfs/dbraw/zinc/27/88/61/351278861.db2.gz MAFFWFFWEHJPQU-JTQLQIEISA-N 1 0 203.207 2.417 10 0 BEAERO Cc1ncc([C@@H]2CCC[C@@H](C[NH3+])O2)s1 ZINC000306950716 351378694 /nfs/dbraw/zinc/37/86/94/351378694.db2.gz ZXHKDUZWILRMJG-IUCAKERBSA-N 1 0 212.318 2.020 10 0 BEAERO Cc1ncc([C@H]2CCC[C@@H](C[NH3+])O2)s1 ZINC000306950715 351379078 /nfs/dbraw/zinc/37/90/78/351379078.db2.gz ZXHKDUZWILRMJG-DTWKUNHWSA-N 1 0 212.318 2.020 10 0 BEAERO COc1ncc([C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000306961136 351384071 /nfs/dbraw/zinc/38/40/71/351384071.db2.gz ACCWJLHNQBZATB-YUMQZZPRSA-N 1 0 212.318 2.137 10 0 BEAERO C[C@H]1SCC[C@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000306972332 351395391 /nfs/dbraw/zinc/39/53/91/351395391.db2.gz KUDHBROOJKCJGD-YNFQOJQRSA-N 1 0 217.403 2.364 10 0 BEAERO CNC(=[NH2+])Nc1cc(F)ccc1Cl ZINC000231835033 351398520 /nfs/dbraw/zinc/39/85/20/351398520.db2.gz CQXMJXCIGFGWPI-UHFFFAOYSA-N 1 0 201.632 2.045 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1cccc2cccnc21 ZINC000069050761 351347517 /nfs/dbraw/zinc/34/75/17/351347517.db2.gz IGBQNBGCCZEVRX-DGCLKSJQSA-N 1 0 216.284 2.006 10 0 BEAERO Cc1ccc(Cl)c(N2CC[C@@H]([NH3+])C2)c1 ZINC000228779191 351349107 /nfs/dbraw/zinc/34/91/07/351349107.db2.gz SWYRHYVYEJZQJA-SECBINFHSA-N 1 0 210.708 2.186 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000034936820 351351341 /nfs/dbraw/zinc/35/13/41/351351341.db2.gz BUTQKKMHSZGXKN-RYUDHWBXSA-N 1 0 226.364 2.166 10 0 BEAERO CCCCC[NH2+][C@@H](C)C(=O)NCCCC ZINC000034938625 351352942 /nfs/dbraw/zinc/35/29/42/351352942.db2.gz QEINJVYTIJKAFP-NSHDSACASA-N 1 0 214.353 2.071 10 0 BEAERO [NH3+][C@H](c1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000034939670 351355595 /nfs/dbraw/zinc/35/55/95/351355595.db2.gz LHFSWWSCRXMSHM-ZIAGYGMSSA-N 1 0 217.312 2.354 10 0 BEAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000034939667 351355817 /nfs/dbraw/zinc/35/58/17/351355817.db2.gz LHFSWWSCRXMSHM-KBPBESRZSA-N 1 0 217.312 2.354 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1sccc1Cl ZINC000307031065 351432530 /nfs/dbraw/zinc/43/25/30/351432530.db2.gz OSHLGIFDKKFQDF-BQBZGAKWSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+]Cc1cc(OC(F)F)c(F)cc1F ZINC000307038559 351436417 /nfs/dbraw/zinc/43/64/17/351436417.db2.gz HZLBNMWBOZPEFE-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO C[C@@H]1CCSC(NCc2cscn2)=[NH+]1 ZINC000133653202 351441488 /nfs/dbraw/zinc/44/14/88/351441488.db2.gz BXGPMNPRTNDAIU-SSDOTTSWSA-N 1 0 227.358 2.114 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1cccc(F)c1F ZINC000235506615 351462618 /nfs/dbraw/zinc/46/26/18/351462618.db2.gz BDUGLPGHSMQVIC-IDKOKCKLSA-N 1 0 241.281 2.386 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@H](C)CCC1=O ZINC000252098061 363031101 /nfs/dbraw/zinc/03/11/01/363031101.db2.gz IARYPGOIZOFZCQ-IJLUTSLNSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1c[nH+]c(N[C@@H](C)C(F)F)c(N)c1 ZINC000307012235 351420134 /nfs/dbraw/zinc/42/01/34/351420134.db2.gz KRJMEOPHNIYWQN-LURJTMIESA-N 1 0 201.220 2.038 10 0 BEAERO Cc1cscc1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000307012673 351420265 /nfs/dbraw/zinc/42/02/65/351420265.db2.gz LDWPFQGHTFAEGY-WCBMZHEXSA-N 1 0 210.346 2.230 10 0 BEAERO CC[C@@H]([NH3+])CC(=O)Nc1cscc1C ZINC000307018028 351423912 /nfs/dbraw/zinc/42/39/12/351423912.db2.gz QMMNOMOASVEFRW-MRVPVSSYSA-N 1 0 212.318 2.122 10 0 BEAERO C[C@@H]1CCSC2(C[C@@H](C)O[C@H](C)C2)[NH2+]1 ZINC000133635863 351425481 /nfs/dbraw/zinc/42/54/81/351425481.db2.gz WFCSHSXCBCJPII-OPRDCNLKSA-N 1 0 215.362 2.385 10 0 BEAERO c1ccc(CO[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000307144845 351498343 /nfs/dbraw/zinc/49/83/43/351498343.db2.gz MENKCQJDNKXEKA-YYFQZIEXSA-N 1 0 229.323 2.200 10 0 BEAERO [NH3+]Cc1cc(Sc2cccs2)ncn1 ZINC000307082405 351470973 /nfs/dbraw/zinc/47/09/73/351470973.db2.gz AUNCGNTXIALUKO-UHFFFAOYSA-N 1 0 223.326 2.148 10 0 BEAERO C[C@@]1([C@H]2[NH2+]CCCS2)CCCS1 ZINC000307167327 351536891 /nfs/dbraw/zinc/53/68/91/351536891.db2.gz RGHHWPOIJVGIBE-IUCAKERBSA-N 1 0 203.376 2.325 10 0 BEAERO Clc1ncccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000036983031 180602386 /nfs/dbraw/zinc/60/23/86/180602386.db2.gz CFELCZZCTRTHIW-LLVKDONJSA-N 1 0 237.734 2.241 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccsc1Cl ZINC000307200998 351602672 /nfs/dbraw/zinc/60/26/72/351602672.db2.gz CBVKSPJVDMRNPE-PHDIDXHHSA-N 1 0 232.736 2.323 10 0 BEAERO C/C(=C\Cl)C[NH2+][C@H]1CCCOCC1 ZINC000307208467 351609499 /nfs/dbraw/zinc/60/94/99/351609499.db2.gz JRTARHAEFGDWHJ-PCYYEKQGSA-N 1 0 203.713 2.288 10 0 BEAERO COC(=O)[C@]1([NH3+])C[C@H]2CC[C@@](C)(C1)C2(C)C ZINC000606303503 351559609 /nfs/dbraw/zinc/55/96/09/351559609.db2.gz FZSDUQMRAYLQIH-ICCXJUOJSA-N 1 0 225.332 2.093 10 0 BEAERO [NH3+][C@@H](c1cnsc1)C1CC(F)(F)C1 ZINC000404625674 351628697 /nfs/dbraw/zinc/62/86/97/351628697.db2.gz RAOQKHPCBSFVOL-SSDOTTSWSA-N 1 0 204.245 2.188 10 0 BEAERO Cc1nc([C@H](F)[C@@H]2CCC[NH2+]2)cs1 ZINC000307245567 351753209 /nfs/dbraw/zinc/75/32/09/351753209.db2.gz MIVIHGOPWTULSL-IONNQARKSA-N 1 0 200.282 2.214 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)CCC1C[NH2+]C1 ZINC000637884406 351749627 /nfs/dbraw/zinc/74/96/27/351749627.db2.gz QERHLHHCMWLJKG-LBPRGKRZSA-N 1 0 246.354 2.172 10 0 BEAERO Cc1nc(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000307253608 351781018 /nfs/dbraw/zinc/78/10/18/351781018.db2.gz VRPPOUFRHOOJOS-RKDXNWHRSA-N 1 0 224.329 2.009 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)N[C@H](CC)c1ccccc1 ZINC000637904266 351774009 /nfs/dbraw/zinc/77/40/09/351774009.db2.gz IAIDEWCZVWDXDV-WCQYABFASA-N 1 0 234.343 2.252 10 0 BEAERO Cc1csc(C([NH3+])(C2CC2)C2CC2)n1 ZINC000307269122 351814140 /nfs/dbraw/zinc/81/41/40/351814140.db2.gz MKUAWLRZOOLWDN-UHFFFAOYSA-N 1 0 208.330 2.426 10 0 BEAERO [NH2+]=C(NCc1ccccc1)NC1CCSCC1 ZINC000307281129 351844918 /nfs/dbraw/zinc/84/49/18/351844918.db2.gz AHECIRUYCFFWKA-UHFFFAOYSA-N 1 0 249.383 2.196 10 0 BEAERO CC(C)[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000119329933 187560238 /nfs/dbraw/zinc/56/02/38/187560238.db2.gz DEQSGTCMXKNVBZ-STQMWFEESA-N 1 0 227.348 2.055 10 0 BEAERO Cc1c(F)cccc1N1CC[NH2+]C[C@H](C)C1 ZINC000043321932 187605254 /nfs/dbraw/zinc/60/52/54/187605254.db2.gz YBSMDYZQUQQQAD-JTQLQIEISA-N 1 0 222.307 2.180 10 0 BEAERO CC[C@@H](CC(=O)NC[C@H](C)[NH2+]C)C(C)(C)C ZINC000638222421 352081544 /nfs/dbraw/zinc/08/15/44/352081544.db2.gz SYDWAMJDRGDFGM-QWRGUYRKSA-N 1 0 228.380 2.173 10 0 BEAERO CC[C@H]([NH3+])C(=O)c1cc(F)c(F)cc1F ZINC000307341818 352091657 /nfs/dbraw/zinc/09/16/57/352091657.db2.gz VHCLGEUMKGMAHO-VIFPVBQESA-N 1 0 217.190 2.024 10 0 BEAERO Cc1ccc(OCCC[NH+]2CCCC2)c(N)c1 ZINC000033421512 187593443 /nfs/dbraw/zinc/59/34/43/187593443.db2.gz XCHBTXKDOYFFQX-UHFFFAOYSA-N 1 0 234.343 2.442 10 0 BEAERO CC(C)c1ccc(C(=[NH2+])N2CCOCC2)cc1 ZINC000059925238 187612779 /nfs/dbraw/zinc/61/27/79/187612779.db2.gz MGNQRHXBGDGFTK-UHFFFAOYSA-N 1 0 232.327 2.468 10 0 BEAERO CC1(C)CS[C@H]([C@@H]2CCSC2)[NH2+]1 ZINC000224676196 363117332 /nfs/dbraw/zinc/11/73/32/363117332.db2.gz XUVDSWDTMMMHHZ-HTQZYQBOSA-N 1 0 203.376 2.181 10 0 BEAERO CC(C)[C@H](C[NH3+])C(=O)N1CCCCCCC1 ZINC000044799543 187606070 /nfs/dbraw/zinc/60/60/70/187606070.db2.gz GSKXEAUFVCHFRO-LBPRGKRZSA-N 1 0 226.364 2.010 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)C1CC1 ZINC000037140745 358469007 /nfs/dbraw/zinc/46/90/07/358469007.db2.gz NTNKWPWOJOATRH-MNOVXSKESA-N 1 0 248.374 2.454 10 0 BEAERO CC[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000037140709 358468676 /nfs/dbraw/zinc/46/86/76/358468676.db2.gz RICICBYIETXHDI-GHMZBOCLSA-N 1 0 236.363 2.454 10 0 BEAERO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152085 358468893 /nfs/dbraw/zinc/46/88/93/358468893.db2.gz BRCZCBFVMLURHN-QYNFOATHSA-N 1 0 226.364 2.055 10 0 BEAERO [NH3+]Cc1cn(C(F)F)c2c1CC[C@H](F)C2 ZINC000536953910 538102325 /nfs/dbraw/zinc/10/23/25/538102325.db2.gz LLYFUILEXYNKDJ-ZETCQYMHSA-N 1 0 218.222 2.169 10 0 BEAERO [NH3+]Cc1ccn(Cc2sccc2Cl)n1 ZINC000307350825 352248600 /nfs/dbraw/zinc/24/86/00/352248600.db2.gz UBJRFNUAQDKLBN-UHFFFAOYSA-N 1 0 227.720 2.105 10 0 BEAERO CCC[N@@H+](Cc1ccccc1)C[C@H](O)CF ZINC000307352352 352280516 /nfs/dbraw/zinc/28/05/16/352280516.db2.gz QWOFAKHZDNHEEF-CYBMUJFWSA-N 1 0 225.307 2.229 10 0 BEAERO C[NH2+]CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000725270697 538102699 /nfs/dbraw/zinc/10/26/99/538102699.db2.gz RESHCERPCSJCBN-GHMZBOCLSA-N 1 0 242.363 2.289 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1nc(C(C)C)ns1 ZINC000083670864 352304421 /nfs/dbraw/zinc/30/44/21/352304421.db2.gz QAHLJUYVCPTENY-VIFPVBQESA-N 1 0 242.392 2.447 10 0 BEAERO CC(C)c1nsc(NC[C@H]([NH3+])C(C)C)n1 ZINC000083671005 352304445 /nfs/dbraw/zinc/30/44/45/352304445.db2.gz GLCPBHHOHBTQQZ-QMMMGPOBSA-N 1 0 228.365 2.057 10 0 BEAERO C1=[NH+]C[C@@H](C[C@H]2CCc3ccccc3C2)N1 ZINC000013862089 187650993 /nfs/dbraw/zinc/65/09/93/187650993.db2.gz VOZDIWQCBQGDFQ-SMDDNHRTSA-N 1 0 214.312 2.182 10 0 BEAERO CC1(C(=O)Nc2cccc3c2CC[C@@H]3[NH3+])CC1 ZINC000725270698 538102560 /nfs/dbraw/zinc/10/25/60/538102560.db2.gz CUHCXWHRAOMWDP-NSHDSACASA-N 1 0 230.311 2.371 10 0 BEAERO C[NH2+]CC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000725270699 538102843 /nfs/dbraw/zinc/10/28/43/538102843.db2.gz RESHCERPCSJCBN-MNOVXSKESA-N 1 0 242.363 2.289 10 0 BEAERO [NH3+][C@@H]1CCc2c1cccc2NC(=O)CC1CC1 ZINC000725271878 538103486 /nfs/dbraw/zinc/10/34/86/538103486.db2.gz VOYQHNONCZWVLJ-GFCCVEGCSA-N 1 0 230.311 2.371 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1ccsc1Cl ZINC000307365174 352449987 /nfs/dbraw/zinc/44/99/87/352449987.db2.gz LSXBVDKIWAGKIS-ZETCQYMHSA-N 1 0 216.737 2.200 10 0 BEAERO [NH3+][C@@H]1CC[C@H]1Cc1ccc(Br)o1 ZINC000307375111 352474530 /nfs/dbraw/zinc/47/45/30/352474530.db2.gz UZMMKTJWXCYJKW-POYBYMJQSA-N 1 0 230.105 2.322 10 0 BEAERO CC(C)(C)[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271586 538103563 /nfs/dbraw/zinc/10/35/63/538103563.db2.gz QCDDXZVUSJVBFA-NOHGZBONSA-N 1 0 209.333 2.332 10 0 BEAERO CCN(CC(C)C)[C@@H]1C[NH2+][C@H](C(C)C)C1 ZINC000725272111 538104002 /nfs/dbraw/zinc/10/40/02/538104002.db2.gz HIECZKHUPFKADT-STQMWFEESA-N 1 0 212.381 2.351 10 0 BEAERO COC(=O)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037252152 358471585 /nfs/dbraw/zinc/47/15/85/358471585.db2.gz JVJCCZJUPPVJTQ-NSHDSACASA-N 1 0 221.300 2.209 10 0 BEAERO Cn1ccnc1S[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000035722666 180753675 /nfs/dbraw/zinc/75/36/75/180753675.db2.gz LFGRUOQGSHXISL-GHMZBOCLSA-N 1 0 239.388 2.420 10 0 BEAERO CNC(=[NH2+])Nc1cc(F)ccc1Br ZINC000232253692 352587087 /nfs/dbraw/zinc/58/70/87/352587087.db2.gz KEPCYRBEXWTLEG-UHFFFAOYSA-N 1 0 246.083 2.154 10 0 BEAERO CCCN(CCC)[C@H]1C[NH2+][C@@H](C(C)C)C1 ZINC000725272548 538104405 /nfs/dbraw/zinc/10/44/05/538104405.db2.gz PKNLRHSGOHJKHP-CHWSQXEVSA-N 1 0 212.381 2.495 10 0 BEAERO CCCc1ccc([C@@H]2CC[NH2+]C[C@@H]2N)cc1 ZINC000725272756 538104461 /nfs/dbraw/zinc/10/44/61/538104461.db2.gz UXVXUJLMGUSDCS-KBPBESRZSA-N 1 0 218.344 2.043 10 0 BEAERO [NH3+]CCc1csc(-c2ncc(Cl)s2)n1 ZINC000307447975 352602690 /nfs/dbraw/zinc/60/26/90/352602690.db2.gz KMCWUWORSOWVBM-UHFFFAOYSA-N 1 0 245.760 2.421 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](SC(C)(C)CO)C1 ZINC000307447351 352603114 /nfs/dbraw/zinc/60/31/14/352603114.db2.gz IYCNDVOCXNFMFY-KXUCPTDWSA-N 1 0 217.378 2.006 10 0 BEAERO C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000307458125 352609547 /nfs/dbraw/zinc/60/95/47/352609547.db2.gz DGCRCGIQVGUWSS-SCSAIBSYSA-N 1 0 221.123 2.186 10 0 BEAERO Cc1nc([C@@]2(F)CC[C@H]([NH3+])C2)cs1 ZINC000307465012 352615216 /nfs/dbraw/zinc/61/52/16/352615216.db2.gz CUJMYUYJECOQNW-IONNQARKSA-N 1 0 200.282 2.128 10 0 BEAERO CCn1ccc(-c2ccc(C[NH3+])s2)n1 ZINC000300878490 352577559 /nfs/dbraw/zinc/57/75/59/352577559.db2.gz MHYFYYCEHJCPSZ-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1cscc1Br ZINC000307552910 352648166 /nfs/dbraw/zinc/64/81/66/352648166.db2.gz VCUAKBWXPNVOFB-JGVFFNPUSA-N 1 0 248.145 2.299 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)OCc1ccccc1 ZINC000307568555 352657369 /nfs/dbraw/zinc/65/73/69/352657369.db2.gz WBNSVMJUJSKOFN-DGCLKSJQSA-N 1 0 233.311 2.118 10 0 BEAERO CC[C@]1(C)C[NH2+][C@@H]1c1cnc(OC)s1 ZINC000307574761 352658549 /nfs/dbraw/zinc/65/85/49/352658549.db2.gz HPWARQGLGDEJMH-PSASIEDQSA-N 1 0 212.318 2.212 10 0 BEAERO [NH3+]C[C@@]1(C[C@@H]2CCCCO2)CCCS1 ZINC000307523365 352634315 /nfs/dbraw/zinc/63/43/15/352634315.db2.gz IGXIHHKMPUEDNV-QWRGUYRKSA-N 1 0 215.362 2.170 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC2(CC2)CC1 ZINC000638755465 352688518 /nfs/dbraw/zinc/68/85/18/352688518.db2.gz AWWZWZGAGDMNDR-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO [NH3+]C1(c2ccncc2Br)CCC1 ZINC000307670226 352749333 /nfs/dbraw/zinc/74/93/33/352749333.db2.gz PRSWGCCMSIZNMB-UHFFFAOYSA-N 1 0 227.105 2.182 10 0 BEAERO CCN(CC(C)C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055086899 1172155368 /nfs/dbraw/zinc/15/53/68/1172155368.db2.gz OKBCJAGVKNJABV-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])[C@H]1C ZINC000055087965 1172154955 /nfs/dbraw/zinc/15/49/55/1172154955.db2.gz GIFONGJAUGQAPI-XQHKEYJVSA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC12CC2 ZINC000638807420 352984052 /nfs/dbraw/zinc/98/40/52/352984052.db2.gz LXWFBYSPDQJADB-VXGBXAGGSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)([NH3+])[C@@H](O)c1ccsc1Cl ZINC000306474743 353017033 /nfs/dbraw/zinc/01/70/33/353017033.db2.gz WFKLZLWJCVOLDX-LURJTMIESA-N 1 0 205.710 2.172 10 0 BEAERO CC[C@@](C)(NC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000638857492 353033890 /nfs/dbraw/zinc/03/38/90/353033890.db2.gz GNAFXDOEZJLJGU-MMWSSPAHSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@](C)(NC(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000638858367 353035104 /nfs/dbraw/zinc/03/51/04/353035104.db2.gz OLWNTBMVRZDIAP-OSMZGAPFSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1ccc(Cl)cc1OCC1C[NH2+]C1 ZINC000306325425 353004285 /nfs/dbraw/zinc/00/42/85/353004285.db2.gz WKTYBQANFFWULM-UHFFFAOYSA-N 1 0 211.692 2.247 10 0 BEAERO C[C@]1([NH2+]C[C@]2(C)CCCS2)CCOC1 ZINC000306713388 353036013 /nfs/dbraw/zinc/03/60/13/353036013.db2.gz COSIVAQXLXOAAA-QWRGUYRKSA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)Cc1ccc([C@H](O)[C@H](C)[NH3+])cc1 ZINC000071510682 187940644 /nfs/dbraw/zinc/94/06/44/187940644.db2.gz HZEJXYSZCXVFGJ-GXFFZTMASA-N 1 0 207.317 2.266 10 0 BEAERO COc1ccc([C@H](O)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000083140141 187969405 /nfs/dbraw/zinc/96/94/05/187969405.db2.gz KUXNOPDPVSBTJW-SMDDNHRTSA-N 1 0 235.327 2.037 10 0 BEAERO Cc1cccc([S@](=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000083308798 187969487 /nfs/dbraw/zinc/96/94/87/187969487.db2.gz PTDYQKIQSYNOKV-LRDDRELGSA-N 1 0 237.368 2.102 10 0 BEAERO CC1CCC([C@H]([NH3+])Cc2cnn(C)c2)CC1 ZINC000050543323 187953167 /nfs/dbraw/zinc/95/31/67/187953167.db2.gz MKFRREZWIJMGBG-KGPNIALWSA-N 1 0 221.348 2.116 10 0 BEAERO COCCOCc1ccccc1C[NH2+]C(C)C ZINC000052628352 187954685 /nfs/dbraw/zinc/95/46/85/187954685.db2.gz DHHZZDWQIQXUMN-UHFFFAOYSA-N 1 0 237.343 2.348 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCCSC1 ZINC000306777435 353037922 /nfs/dbraw/zinc/03/79/22/353037922.db2.gz NPRLYWMORIVXPX-LBPRGKRZSA-N 1 0 249.383 2.196 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638865417 353039180 /nfs/dbraw/zinc/03/91/80/353039180.db2.gz GLBCEAXYFQSXNJ-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC(C)(C)CC ZINC000638865386 353039332 /nfs/dbraw/zinc/03/93/32/353039332.db2.gz GBGINQFVPGLBLS-GHMZBOCLSA-N 1 0 228.380 2.302 10 0 BEAERO C(c1noc(C2CCCC2)n1)[C@H]1CCC[NH2+]C1 ZINC000063084627 187958110 /nfs/dbraw/zinc/95/81/10/187958110.db2.gz OKVURXLWJPPAHW-SNVBAGLBSA-N 1 0 235.331 2.269 10 0 BEAERO C[C@@H]1CN([C@H]2CCC(F)(F)C2)CCC1=O ZINC000306994782 353048673 /nfs/dbraw/zinc/04/86/73/353048673.db2.gz OJKSBVZYFHVFOR-BDAKNGLRSA-N 1 0 217.259 2.085 10 0 BEAERO CC(C)N(C)c1ccc(C[NH2+][C@@H]2C[C@@H]2C)cn1 ZINC000190952205 188003489 /nfs/dbraw/zinc/00/34/89/188003489.db2.gz WUHSXTHIJSBBNV-WCQYABFASA-N 1 0 233.359 2.424 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000336750958 187999989 /nfs/dbraw/zinc/99/99/89/187999989.db2.gz GCQJJHOHYDTQGA-UZWSLXQKSA-N 1 0 211.349 2.436 10 0 BEAERO CC(C)CO[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000019268632 188002402 /nfs/dbraw/zinc/00/24/02/188002402.db2.gz ZRMVKXRSZHWSTQ-OLZOCXBDSA-N 1 0 205.301 2.284 10 0 BEAERO C([NH2+]CC1CCCCC1)[C@@H]1[C@H]2COC[C@H]21 ZINC000309076952 187995879 /nfs/dbraw/zinc/99/58/79/187995879.db2.gz LPTXEGIWVZLKRT-XYYAHUGASA-N 1 0 209.333 2.049 10 0 BEAERO c1ccc2c(c1)CCCOC21CC[NH2+]CC1 ZINC000140290413 353123691 /nfs/dbraw/zinc/12/36/91/353123691.db2.gz FBVCUKORVGTZQY-UHFFFAOYSA-N 1 0 217.312 2.228 10 0 BEAERO COc1ccc2[nH]c(C)c(C[C@H](C)[NH3+])c2c1 ZINC000032220297 188011133 /nfs/dbraw/zinc/01/11/33/188011133.db2.gz KQABRKIUSICDLA-QMMMGPOBSA-N 1 0 218.300 2.375 10 0 BEAERO CC(C)[C@H](C)[N@H+](C)[C@]1(CN)CCCSC1 ZINC000061590056 188012920 /nfs/dbraw/zinc/01/29/20/188012920.db2.gz JPQOBCQEUOKLCO-RYUDHWBXSA-N 1 0 230.421 2.187 10 0 BEAERO Cc1nccn1-c1ccc(C[NH3+])cc1Cl ZINC000062793206 188013673 /nfs/dbraw/zinc/01/36/73/188013673.db2.gz XBTDQLFQIVZDAB-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO Cc1ccc(C(=O)C[C@@H]2CCC[NH2+]2)cc1F ZINC000087284363 188020291 /nfs/dbraw/zinc/02/02/91/188020291.db2.gz QRLVAPDOOIOPNS-NSHDSACASA-N 1 0 221.275 2.459 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2ccncc2)C[C@H](C)O1 ZINC000282284238 188032698 /nfs/dbraw/zinc/03/26/98/188032698.db2.gz QPJYZRSRLABTES-RYUDHWBXSA-N 1 0 234.343 2.375 10 0 BEAERO CC[C@]1(C[NH3+])COc2c(C)ccc(C)c2O1 ZINC000536956277 323967240 /nfs/dbraw/zinc/96/72/40/323967240.db2.gz VTFUBTRHIQDKCN-ZDUSSCGKSA-N 1 0 221.300 2.182 10 0 BEAERO CC1(C)CC[C@@H]1[NH2+][C@H](CO)CC(F)(F)F ZINC000336760306 353171867 /nfs/dbraw/zinc/17/18/67/353171867.db2.gz MDXVVHRFKIWJHY-YUMQZZPRSA-N 1 0 225.254 2.078 10 0 BEAERO CC(C)c1csc(NC(=O)[C@@H]([NH3+])C(C)C)n1 ZINC000049237173 353161682 /nfs/dbraw/zinc/16/16/82/353161682.db2.gz JHHICUNNIRRRIP-VIFPVBQESA-N 1 0 241.360 2.188 10 0 BEAERO Nc1c[nH+]ccc1NCc1cccs1 ZINC000036667042 363208187 /nfs/dbraw/zinc/20/81/87/363208187.db2.gz OZGOXZFXLFEAKT-UHFFFAOYSA-N 1 0 205.286 2.337 10 0 BEAERO FC(F)(F)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000095077052 180888168 /nfs/dbraw/zinc/88/81/68/180888168.db2.gz KRSGXPURGXELAI-SECBINFHSA-N 1 0 222.254 2.113 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000225328666 538112063 /nfs/dbraw/zinc/11/20/63/538112063.db2.gz ZKMMMLZYEJFOTE-YUMQZZPRSA-N 1 0 246.763 2.190 10 0 BEAERO Cc1cc(NC(=O)C[C@H]([NH3+])C(C)C)cs1 ZINC000638994341 353233507 /nfs/dbraw/zinc/23/35/07/353233507.db2.gz NFGVKUFXDFFQPV-JTQLQIEISA-N 1 0 226.345 2.368 10 0 BEAERO C[C@@H](CC1CCC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000638995746 353238331 /nfs/dbraw/zinc/23/83/31/353238331.db2.gz FRWBOBFBABGDIU-SMDDNHRTSA-N 1 0 238.375 2.214 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000225328566 538112149 /nfs/dbraw/zinc/11/21/49/538112149.db2.gz ZKMMMLZYEJFOTE-HTQZYQBOSA-N 1 0 246.763 2.190 10 0 BEAERO FC(F)[C@H]1CCSC12CC[NH2+]CC2 ZINC000091305163 180909848 /nfs/dbraw/zinc/90/98/48/180909848.db2.gz YMRUJWGYPZFFHQ-SSDOTTSWSA-N 1 0 207.289 2.127 10 0 BEAERO CC(C)[C@H](O)C[N@@H+]1CCCC12CCCC2 ZINC000368639862 188254131 /nfs/dbraw/zinc/25/41/31/188254131.db2.gz YJLJVJGYLKUDGB-GFCCVEGCSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)(C)c1cnc([C@@H]2CCC[NH2+]C2)o1 ZINC000040543196 188255740 /nfs/dbraw/zinc/25/57/40/188255740.db2.gz RPGDSAWBWHLSIR-SECBINFHSA-N 1 0 208.305 2.439 10 0 BEAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336662743 188256247 /nfs/dbraw/zinc/25/62/47/188256247.db2.gz KPNTXEXOCGXQSJ-WDEREUQCSA-N 1 0 226.364 2.068 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000126620192 188258122 /nfs/dbraw/zinc/25/81/22/188258122.db2.gz AMMCJMLXNJEHKT-ZDUSSCGKSA-N 1 0 244.342 2.327 10 0 BEAERO Cc1cc(Br)c(C)n1CCC[NH3+] ZINC000082656670 188270440 /nfs/dbraw/zinc/27/04/40/188270440.db2.gz XVMGRLJGXUEMMT-UHFFFAOYSA-N 1 0 231.137 2.216 10 0 BEAERO Nc1ccc2[nH]cc(C[NH+]3CCCC3)c2c1 ZINC000002026786 188274946 /nfs/dbraw/zinc/27/49/46/188274946.db2.gz XINXCFLBEJQVSW-UHFFFAOYSA-N 1 0 215.300 2.346 10 0 BEAERO C[C@H]1C[NH2+][C@H](c2cnc3ccccc3n2)C1 ZINC000003705229 188275438 /nfs/dbraw/zinc/27/54/38/188275438.db2.gz KVVVXHIYDLNGAJ-SKDRFNHKSA-N 1 0 213.284 2.300 10 0 BEAERO CC(=O)O[C@H]1CCCC[C@@H]1[n+]1ccccc1 ZINC000005283669 188277940 /nfs/dbraw/zinc/27/79/40/188277940.db2.gz XRPHEOWFSHJANF-STQMWFEESA-N 1 0 220.292 2.021 10 0 BEAERO COc1ccc(F)cc1C(=O)[C@H]([NH3+])C(C)C ZINC000036161656 188278719 /nfs/dbraw/zinc/27/87/19/188278719.db2.gz NKSYXMLKKMNHFB-LLVKDONJSA-N 1 0 225.263 2.000 10 0 BEAERO COc1cc(Br)ccc1C[C@H](C)[NH3+] ZINC000013450398 188279092 /nfs/dbraw/zinc/27/90/92/188279092.db2.gz YWONMRKCBJPFCM-ZETCQYMHSA-N 1 0 244.132 2.347 10 0 in-vivo BEAERO COc1cccc(Br)c1C[C@H](C)[NH3+] ZINC000013450413 188279928 /nfs/dbraw/zinc/27/99/28/188279928.db2.gz VMDZBCVKHFIYOO-ZETCQYMHSA-N 1 0 244.132 2.347 10 0 BEAERO CC(C)CO[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000019267845 188280588 /nfs/dbraw/zinc/28/05/88/188280588.db2.gz UQTSJVORLBCQOH-QWHCGFSZSA-N 1 0 221.300 2.120 10 0 BEAERO OC[C@H]1C[C@@H]([NH2+]CC2CC2)c2ccccc21 ZINC000376958215 188282469 /nfs/dbraw/zinc/28/24/69/188282469.db2.gz OKACOYGNDXXMRZ-BXUZGUMPSA-N 1 0 217.312 2.207 10 0 BEAERO COc1ccc([C@@H]([NH3+])[C@H](C)n2ccnc2)cc1 ZINC000023069217 188283312 /nfs/dbraw/zinc/28/33/12/188283312.db2.gz MNSMZEBWLTZVCR-GWCFXTLKSA-N 1 0 231.299 2.153 10 0 BEAERO CC(C)[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359456 188285602 /nfs/dbraw/zinc/28/56/02/188285602.db2.gz NEIMETYNMNNCKU-LBPRGKRZSA-N 1 0 238.718 2.490 10 0 BEAERO COc1ccc([C@H]([NH3+])c2ccoc2)c(F)c1 ZINC000036766498 188286154 /nfs/dbraw/zinc/28/61/54/188286154.db2.gz FZYQIMZGWUKPLU-GFCCVEGCSA-N 1 0 221.231 2.475 10 0 BEAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])c1ncon1 ZINC000036762009 188286493 /nfs/dbraw/zinc/28/64/93/188286493.db2.gz GEWUGPBKFFGLBS-CABZTGNLSA-N 1 0 223.320 2.460 10 0 BEAERO CC(C)[C@H](C)N(C)C(=O)c1cccc(C[NH3+])c1 ZINC000036786598 188286623 /nfs/dbraw/zinc/28/66/23/188286623.db2.gz CFGDZUAMKJJOKZ-NSHDSACASA-N 1 0 234.343 2.262 10 0 BEAERO CC(C)Cc1ccc([C@@H]([NH3+])CCO)cc1 ZINC000071510687 188287412 /nfs/dbraw/zinc/28/74/12/188287412.db2.gz HLAQDBXAZQWHPF-ZDUSSCGKSA-N 1 0 207.317 2.267 10 0 BEAERO CC(C)Cc1nc2ccc(C[NH3+])cc2[nH]1 ZINC000071508670 188287507 /nfs/dbraw/zinc/28/75/07/188287507.db2.gz OZESHACOEVSXNT-UHFFFAOYSA-N 1 0 203.289 2.220 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037807376 188288216 /nfs/dbraw/zinc/28/82/16/188288216.db2.gz OBOSXILGHYDXTK-GXFFZTMASA-N 1 0 226.364 2.007 10 0 BEAERO CC(C)C[C@@H](CN[C@@H](C)c1cc[nH]n1)[NH+](C)C ZINC000037906979 188288828 /nfs/dbraw/zinc/28/88/28/188288828.db2.gz FENJJGHNAPZYNG-RYUDHWBXSA-N 1 0 238.379 2.037 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000075905772 188288847 /nfs/dbraw/zinc/28/88/47/188288847.db2.gz BDWZOPMIJLPUGZ-ZDUSSCGKSA-N 1 0 218.300 2.460 10 0 BEAERO COc1cccc([C@@H](N)C[N@@H+]2CCC[C@@H]2C)c1 ZINC000037910624 188289223 /nfs/dbraw/zinc/28/92/23/188289223.db2.gz IUWUZSKOPVUUPX-FZMZJTMJSA-N 1 0 234.343 2.179 10 0 BEAERO CC(C)(C[NH3+])COc1cc(F)ccc1F ZINC000075880674 188289257 /nfs/dbraw/zinc/28/92/57/188289257.db2.gz APVWQOWKNXIJKJ-UHFFFAOYSA-N 1 0 215.243 2.329 10 0 BEAERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000037935039 188289628 /nfs/dbraw/zinc/28/96/28/188289628.db2.gz LMRCKUKQMUZASS-KGLIPLIRSA-N 1 0 233.355 2.467 10 0 BEAERO Cc1nccc(C[NH2+]Cc2ccccc2)n1 ZINC000037997681 188290015 /nfs/dbraw/zinc/29/00/15/188290015.db2.gz OUGMPLZFYIXZQF-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO CC(C)N(CCCO)c1ccccc1[C@H](C)[NH3+] ZINC000042509202 188293512 /nfs/dbraw/zinc/29/35/12/188293512.db2.gz XJFOAYYTXIWKGV-LBPRGKRZSA-N 1 0 236.359 2.304 10 0 BEAERO CC(C)c1cncn1C[C@H]1CCC[NH2+]C1 ZINC000082656002 188294482 /nfs/dbraw/zinc/29/44/82/188294482.db2.gz BGJDFYCDTQOREW-NSHDSACASA-N 1 0 207.321 2.006 10 0 BEAERO CCCc1ccc(C(=O)CC[NH2+]C)cc1 ZINC000049813220 188298319 /nfs/dbraw/zinc/29/83/19/188298319.db2.gz ANJTTWJIZCKQQO-UHFFFAOYSA-N 1 0 205.301 2.431 10 0 BEAERO CC(C)(CO)C[N@@H+]1CCc2ccccc2C1 ZINC000049817521 188298611 /nfs/dbraw/zinc/29/86/11/188298611.db2.gz MVGFVLONDKQUAN-UHFFFAOYSA-N 1 0 219.328 2.063 10 0 BEAERO COc1ccc(C(=O)C[NH2+]CC(C)C)cc1F ZINC000049829653 188298933 /nfs/dbraw/zinc/29/89/33/188298933.db2.gz SDVAECOJIUISNX-UHFFFAOYSA-N 1 0 239.290 2.263 10 0 BEAERO CC1CCC(Oc2ccnc(C[NH3+])c2)CC1 ZINC000051524619 188299872 /nfs/dbraw/zinc/29/98/72/188299872.db2.gz MEIMJFDWRXSULU-UHFFFAOYSA-N 1 0 220.316 2.498 10 0 BEAERO C[N@@H+]1CCC[C@@H](CNc2ccc3c(c2)OCO3)C1 ZINC000054240030 188300587 /nfs/dbraw/zinc/30/05/87/188300587.db2.gz GBYKZYZDYUTTOL-NSHDSACASA-N 1 0 248.326 2.169 10 0 BEAERO CC1(C)CN(CCC[NH2+]C2CCCC2)CCO1 ZINC000053499244 188300793 /nfs/dbraw/zinc/30/07/93/188300793.db2.gz GXGLTMBLGDGSOL-UHFFFAOYSA-N 1 0 240.391 2.020 10 0 BEAERO CCN(C)c1ccc(F)cc1C[NH2+]CCOC ZINC000062735050 188303178 /nfs/dbraw/zinc/30/31/78/188303178.db2.gz NMWYFQYZFOHWDS-UHFFFAOYSA-N 1 0 240.322 2.018 10 0 BEAERO CC1([C@H]([NH3+])c2ccc3c(c2)OCCO3)CC1 ZINC000071521264 188305471 /nfs/dbraw/zinc/30/54/71/188305471.db2.gz WHOVDMGVISAMAZ-GFCCVEGCSA-N 1 0 219.284 2.258 10 0 BEAERO CC(C)COc1ccc([C@H]([NH3+])CN(C)C)cc1 ZINC000071547427 188306346 /nfs/dbraw/zinc/30/63/46/188306346.db2.gz AIVDBSFOMVKBSF-CQSZACIVSA-N 1 0 236.359 2.283 10 0 BEAERO C[NH2+][C@@H](C1=COCCC1)[C@@H]1CCCS1 ZINC000160142079 353305225 /nfs/dbraw/zinc/30/52/25/353305225.db2.gz NYVVYKGTPIZUGA-QWRGUYRKSA-N 1 0 213.346 2.164 10 0 BEAERO CC(C)(C)[C@H]([NH3+])c1nc2c(c(=O)[nH]1)CCCCC2 ZINC000104062021 188323522 /nfs/dbraw/zinc/32/35/22/188323522.db2.gz GQZBWUYQKXOULG-LLVKDONJSA-N 1 0 249.358 2.085 10 0 BEAERO CC(C)CNC(=O)[C@H](CC[NH3+])C1CCCCC1 ZINC000076622327 188310862 /nfs/dbraw/zinc/31/08/62/188310862.db2.gz ZIYDCYPYEHBNQT-CYBMUJFWSA-N 1 0 240.391 2.304 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc[nH]c1 ZINC000080773793 188312339 /nfs/dbraw/zinc/31/23/39/188312339.db2.gz OCXAQLFXWBIDJZ-CYBMUJFWSA-N 1 0 223.364 2.081 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000336733148 180937423 /nfs/dbraw/zinc/93/74/23/180937423.db2.gz MDGLHAYKHCHEHM-GRYCIOLGSA-N 1 0 215.312 2.141 10 0 BEAERO FC[C@@H]1Cc2ccc(Br)cc2C[NH2+]1 ZINC000013517600 180939331 /nfs/dbraw/zinc/93/93/31/180939331.db2.gz KJOCLAIPXOCSLQ-JTQLQIEISA-N 1 0 244.107 2.433 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](CNC(F)(F)F)C1 ZINC000095088270 188318790 /nfs/dbraw/zinc/31/87/90/188318790.db2.gz MCNWSZVBWGZHEF-VIFPVBQESA-N 1 0 224.270 2.216 10 0 BEAERO COc1ncc(C(F)(F)F)cc1[C@@H](C)[NH3+] ZINC000095756627 188320284 /nfs/dbraw/zinc/32/02/84/188320284.db2.gz FXESPSURMBYAFY-RXMQYKEDSA-N 1 0 220.194 2.129 10 0 BEAERO CCn1c([C@@H]2CCC[C@H]([NH3+])C2)nc2cccnc21 ZINC000104317772 188324511 /nfs/dbraw/zinc/32/45/11/188324511.db2.gz PZOGHLGRLOFGIY-MNOVXSKESA-N 1 0 244.342 2.436 10 0 BEAERO CC[C@@H]([NH2+]CC1(CCO)CCC1)C1CC1 ZINC000130980178 353362791 /nfs/dbraw/zinc/36/27/91/353362791.db2.gz UECUHKDNILVAHA-GFCCVEGCSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@@H]([NH2+]CCO)C1C2CC3CC(C2)CC1C3 ZINC000216546552 538115650 /nfs/dbraw/zinc/11/56/50/538115650.db2.gz MRCKPQWFJLAFMQ-UIBFTYAWSA-N 1 0 223.360 2.029 10 0 BEAERO C(c1nc2c(s1)CCC2)C1CC[NH2+]CC1 ZINC000011884041 188339381 /nfs/dbraw/zinc/33/93/81/188339381.db2.gz LIPNAGWUIJZPOF-UHFFFAOYSA-N 1 0 222.357 2.174 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(F)cc1 ZINC000032012540 188357716 /nfs/dbraw/zinc/35/77/16/188357716.db2.gz CZKFUUXODKJMEV-VXGBXAGGSA-N 1 0 211.280 2.233 10 0 BEAERO CCN(C)CC[NH2+][C@H](C)CCC(C)C ZINC000053378996 188340973 /nfs/dbraw/zinc/34/09/73/188340973.db2.gz VUOAPWQEPCUFQL-GFCCVEGCSA-N 1 0 200.370 2.352 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC12CCC2 ZINC000336761845 188348474 /nfs/dbraw/zinc/34/84/74/188348474.db2.gz NQLZUOWBAUWRLL-GHMZBOCLSA-N 1 0 211.349 2.316 10 0 BEAERO COc1ccc([C@H](C)C[NH2+]C[C@H](C)OC)cc1 ZINC000191147524 188349888 /nfs/dbraw/zinc/34/98/88/188349888.db2.gz NUFGBVHFCAIVRE-NEPJUHHUSA-N 1 0 237.343 2.423 10 0 BEAERO CC(C)[N@H+](C)CC[C@@H](N)c1ccccc1 ZINC000020073243 188351876 /nfs/dbraw/zinc/35/18/76/188351876.db2.gz VBBDPXPUDTVQKQ-CYBMUJFWSA-N 1 0 206.333 2.417 10 0 BEAERO CC(C)C[C@@H](N)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020073491 188351993 /nfs/dbraw/zinc/35/19/93/188351993.db2.gz PFEXFQONOYGOKR-JHJVBQTASA-N 1 0 212.381 2.338 10 0 BEAERO COc1ccc([C@@H](C)C[NH2+]CCCCO)cc1 ZINC000193248914 188352036 /nfs/dbraw/zinc/35/20/36/188352036.db2.gz MWNNZQJGZVWCSU-LBPRGKRZSA-N 1 0 237.343 2.161 10 0 BEAERO CC(C)(O)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336770945 188352630 /nfs/dbraw/zinc/35/26/30/188352630.db2.gz XDFPIURNJWQMDK-WDEREUQCSA-N 1 0 217.328 2.265 10 0 BEAERO CC(C)C[C@@H](C[NH3+])N(C)c1ccccc1 ZINC000022174691 188355207 /nfs/dbraw/zinc/35/52/07/188355207.db2.gz AQKVXSMCFWMGLU-ZDUSSCGKSA-N 1 0 206.333 2.496 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ccc(OC(F)F)cn1 ZINC000336891048 188360070 /nfs/dbraw/zinc/36/00/70/188360070.db2.gz OQMAZUKXSLRNIN-SECBINFHSA-N 1 0 245.273 2.078 10 0 BEAERO CC(C)[C@H](C[NH2+]C1COC1)c1ccccc1 ZINC000231359693 188364250 /nfs/dbraw/zinc/36/42/50/188364250.db2.gz KTTOLEQVYWZFOZ-AWEZNQCLSA-N 1 0 219.328 2.415 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@H]2CCOC2(C)C)C[C@@H](C)O1 ZINC000340380046 188390781 /nfs/dbraw/zinc/39/07/81/188390781.db2.gz CXIGYBZEYBUURH-WZRBSPASSA-N 1 0 241.375 2.347 10 0 BEAERO Fc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)cc1 ZINC000050620519 180959752 /nfs/dbraw/zinc/95/97/52/180959752.db2.gz ZPGVDXWUYXYNFO-UHFFFAOYSA-N 1 0 247.273 2.170 10 0 BEAERO Fc1ccc(Cc2noc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000036925430 180972691 /nfs/dbraw/zinc/97/26/91/180972691.db2.gz IYILMVBHWCQFTO-LLVKDONJSA-N 1 0 247.273 2.224 10 0 BEAERO Fc1ccc(F)c(N[C@H]2CCC[NH2+]C2)c1 ZINC000043323995 180974635 /nfs/dbraw/zinc/97/46/35/180974635.db2.gz ICJLJPXGRHYXRJ-VIFPVBQESA-N 1 0 212.243 2.129 10 0 BEAERO CC(C)C[C@@H]1[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000096987056 188406224 /nfs/dbraw/zinc/40/62/24/188406224.db2.gz FABPERNUQJTLQL-GHMZBOCLSA-N 1 0 242.363 2.369 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096987012 188406978 /nfs/dbraw/zinc/40/69/78/188406978.db2.gz ZLLHPORANGINAO-MNOVXSKESA-N 1 0 242.363 2.227 10 0 BEAERO CN(C)c1nc([C@H]2CCCC[NH2+]2)cs1 ZINC000165733439 353587167 /nfs/dbraw/zinc/58/71/67/353587167.db2.gz YILIWMXEEGXMGM-MRVPVSSYSA-N 1 0 211.334 2.024 10 0 BEAERO CCCCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917281 358480085 /nfs/dbraw/zinc/48/00/85/358480085.db2.gz ADRODLQIYFQNKS-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO Fc1cccc2[nH]c(C[C@@H]3CCC[NH2+]C3)nc21 ZINC000054300918 181004280 /nfs/dbraw/zinc/00/42/80/181004280.db2.gz XZHSTUNZCNYLNX-VIFPVBQESA-N 1 0 233.290 2.244 10 0 BEAERO Fc1cccc(F)c1N[C@@H]1CCC[NH2+]C1 ZINC000043325225 181001221 /nfs/dbraw/zinc/00/12/21/181001221.db2.gz MUNWBJQAWUVJNU-MRVPVSSYSA-N 1 0 212.243 2.129 10 0 BEAERO Cc1c(C[NH2+]C2(C3(C)CC3)CC2)cnn1C ZINC000398117715 324218049 /nfs/dbraw/zinc/21/80/49/324218049.db2.gz BCDCIIQAPOQBSJ-UHFFFAOYSA-N 1 0 219.332 2.151 10 0 BEAERO Fc1ccccc1NCC[NH+]1CCSCC1 ZINC000053374287 181014184 /nfs/dbraw/zinc/01/41/84/181014184.db2.gz RBKRQGRGZNJXAF-UHFFFAOYSA-N 1 0 240.347 2.286 10 0 BEAERO Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375607548 181007268 /nfs/dbraw/zinc/00/72/68/181007268.db2.gz UFGNUZFBTHZLQC-GUIRCDHDSA-N 1 0 247.313 2.295 10 0 BEAERO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399049690 353745604 /nfs/dbraw/zinc/74/56/04/353745604.db2.gz WITKIVIFZYEEFJ-GHMZBOCLSA-N 1 0 249.314 2.456 10 0 BEAERO Fc1cccnc1OCC[C@H]1CCCC[NH2+]1 ZINC000054701246 181017244 /nfs/dbraw/zinc/01/72/44/181017244.db2.gz INZNWDAQOZNDOO-SNVBAGLBSA-N 1 0 224.279 2.132 10 0 BEAERO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000224734337 363263326 /nfs/dbraw/zinc/26/33/26/363263326.db2.gz FNEHDLWTPJZEPG-NEPJUHHUSA-N 1 0 223.316 2.123 10 0 BEAERO COC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000343540897 353917401 /nfs/dbraw/zinc/91/74/01/353917401.db2.gz WYISVOIOIITWLW-OBJOEFQTSA-N 1 0 243.391 2.451 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCOCC2)C[C@@H](C)O1 ZINC000343626442 353947518 /nfs/dbraw/zinc/94/75/18/353947518.db2.gz XECGMWGUDBBUKN-YRGRVCCFSA-N 1 0 241.375 2.349 10 0 BEAERO COC1CC([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000230675827 363320119 /nfs/dbraw/zinc/32/01/19/363320119.db2.gz KGTOLFHWCIRUJT-KPPDAEKUSA-N 1 0 209.289 2.416 10 0 BEAERO COC1CC([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000230675825 363319661 /nfs/dbraw/zinc/31/96/61/363319661.db2.gz KGTOLFHWCIRUJT-WHXUTIOJSA-N 1 0 209.289 2.416 10 0 BEAERO COCc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000087247435 354261489 /nfs/dbraw/zinc/26/14/89/354261489.db2.gz AYUSNGTUVOBRKN-HNNXBMFYSA-N 1 0 249.354 2.492 10 0 BEAERO CC1(C)[C@H](C[NH3+])[C@H]1c1ncc(Cl)s1 ZINC000301042207 363368954 /nfs/dbraw/zinc/36/89/54/363368954.db2.gz ZTCUXYGXBGBWPH-VDTYLAMSSA-N 1 0 216.737 2.495 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)C ZINC000113233262 354319375 /nfs/dbraw/zinc/31/93/75/354319375.db2.gz GWHDIYFBKOKJTC-VXGBXAGGSA-N 1 0 238.375 2.118 10 0 BEAERO Cc1nnc([C@@H](C)[N@@H+]2CC3(CCC3)C[C@@H]2C)[nH]1 ZINC000334645877 354435776 /nfs/dbraw/zinc/43/57/76/354435776.db2.gz PQMYGWOJJRBDTF-VHSXEESVSA-N 1 0 234.347 2.439 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(C(=O)OC(C)(C)C)C[C@H]1C ZINC000521401220 259455092 /nfs/dbraw/zinc/45/50/92/259455092.db2.gz ZSZACOUMQUPYON-BREBYQMCSA-N 1 0 227.348 2.482 10 0 BEAERO CC(C)=CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334797900 354552592 /nfs/dbraw/zinc/55/25/92/354552592.db2.gz YFCWBCYAGRMWMP-CHWSQXEVSA-N 1 0 221.344 2.454 10 0 BEAERO CC(C)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334795205 354549481 /nfs/dbraw/zinc/54/94/81/354549481.db2.gz DIOYCJHQQZGAFX-RYUDHWBXSA-N 1 0 209.333 2.143 10 0 BEAERO C[C@@H](c1nncn1C)[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000335085683 354619430 /nfs/dbraw/zinc/61/94/30/354619430.db2.gz LDCXXBKQAMRNOG-MNOVXSKESA-N 1 0 234.347 2.141 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cncn1CC ZINC000233410980 363400853 /nfs/dbraw/zinc/40/08/53/363400853.db2.gz HGTMIZKKYZJFNZ-CMPLNLGQSA-N 1 0 207.321 2.181 10 0 BEAERO CSc1cc(Br)ccc1C(N)=[NH2+] ZINC000166053808 354923735 /nfs/dbraw/zinc/92/37/35/354923735.db2.gz QXJKUEJCKHDMPI-UHFFFAOYSA-N 1 0 245.145 2.455 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000040502181 358493376 /nfs/dbraw/zinc/49/33/76/358493376.db2.gz FKGLHLPHZGNEAS-STQMWFEESA-N 1 0 233.359 2.217 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000040502033 358492839 /nfs/dbraw/zinc/49/28/39/358492839.db2.gz OHLPHWQCFVMKSZ-AWEZNQCLSA-N 1 0 236.334 2.400 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000042573577 168742512 /nfs/dbraw/zinc/74/25/12/168742512.db2.gz OUFLZKHCFQHKLL-AVGNSLFASA-N 1 0 240.391 2.460 10 0 BEAERO NC(=[NH2+])CCCOc1ccccc1Cl ZINC000019512213 181186682 /nfs/dbraw/zinc/18/66/82/181186682.db2.gz VFDPIYIHWBNVFC-UHFFFAOYSA-N 1 0 212.680 2.435 10 0 BEAERO NC(=[NH2+])CO[C@H]1CCCc2ccccc21 ZINC000019519185 181187015 /nfs/dbraw/zinc/18/70/15/181187015.db2.gz ULDZXRAKGLHBGQ-NSHDSACASA-N 1 0 204.273 2.017 10 0 BEAERO NC(=[NH2+])Cc1cc(Br)ccc1F ZINC000019427790 181187087 /nfs/dbraw/zinc/18/70/87/181187087.db2.gz OVNHEYJAEHIIBS-UHFFFAOYSA-N 1 0 231.068 2.067 10 0 BEAERO NC(=[NH2+])CCOCc1ccccc1Cl ZINC000019802825 181186763 /nfs/dbraw/zinc/18/67/63/181186763.db2.gz YKHOVTCBCYHQLN-UHFFFAOYSA-N 1 0 212.680 2.183 10 0 BEAERO NC(=[NH2+])Cc1ccc(OCc2ccncc2)cc1 ZINC000019506771 181188000 /nfs/dbraw/zinc/18/80/00/181188000.db2.gz BCKQNYWSGGOFRM-UHFFFAOYSA-N 1 0 241.294 2.139 10 0 BEAERO NC(=[NH2+])c1cc(Oc2cccc(F)c2)ccn1 ZINC000061814478 181193510 /nfs/dbraw/zinc/19/35/10/181193510.db2.gz NCKLUGCQGJOVCU-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO NC(=[NH2+])c1ccc(COCc2ccco2)c(F)c1 ZINC000019510545 181193589 /nfs/dbraw/zinc/19/35/89/181193589.db2.gz DBYQPJBHOFGYEG-UHFFFAOYSA-N 1 0 248.257 2.420 10 0 BEAERO NC(=[NH2+])c1cc(OC2CCCCCC2)ccn1 ZINC000061814635 181194055 /nfs/dbraw/zinc/19/40/55/181194055.db2.gz ZCIWOJSUIWRQNX-UHFFFAOYSA-N 1 0 233.315 2.467 10 0 BEAERO NC(=[NH2+])c1ccc(COCC(F)(F)F)cc1 ZINC000019502263 181194241 /nfs/dbraw/zinc/19/42/41/181194241.db2.gz SLHBOXGXSVOABV-UHFFFAOYSA-N 1 0 232.205 2.050 10 0 BEAERO NC(=[NH2+])SCc1cnc2ccccc2c1 ZINC000059155039 181192478 /nfs/dbraw/zinc/19/24/78/181192478.db2.gz BBTQILBUDSANDJ-UHFFFAOYSA-N 1 0 217.297 2.361 10 0 BEAERO NC(=[NH2+])c1ccccc1N1CCCCCC1 ZINC000020075833 181196307 /nfs/dbraw/zinc/19/63/07/181196307.db2.gz RADCLDGNGXARPC-UHFFFAOYSA-N 1 0 217.316 2.351 10 0 BEAERO NC(=[NH2+])c1ccc(OCc2cccnc2)c(F)c1 ZINC000062714623 181195574 /nfs/dbraw/zinc/19/55/74/181195574.db2.gz XRQHIDIDBHHYOF-UHFFFAOYSA-N 1 0 245.257 2.084 10 0 BEAERO CC[C@H]([NH3+])[C@@H]1Cc2ccc(C)cc2C1=O ZINC000166483818 355532895 /nfs/dbraw/zinc/53/28/95/355532895.db2.gz BQRQTRLKHBJAMW-RYUDHWBXSA-N 1 0 203.285 2.087 10 0 BEAERO NC(=[NH2+])c1cccc(COC2CCCC2)c1 ZINC000019428641 181196639 /nfs/dbraw/zinc/19/66/39/181196639.db2.gz DKJIYMVYWCSFFP-UHFFFAOYSA-N 1 0 218.300 2.430 10 0 BEAERO NC(=[NH2+])c1ccnc(Oc2ccc(F)cc2)c1 ZINC000019437046 181197097 /nfs/dbraw/zinc/19/70/97/181197097.db2.gz DGYMRFXTFIUCDQ-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO N=C(Nc1cccc(C[NH3+])c1)c1ccco1 ZINC000013780458 181200491 /nfs/dbraw/zinc/20/04/91/181200491.db2.gz OBEVPGRULCCSQA-UHFFFAOYSA-N 1 0 215.256 2.176 10 0 BEAERO C[C@H]([NH3+])/C=C\c1c(Cl)nc2sccn12 ZINC000308445766 355607023 /nfs/dbraw/zinc/60/70/23/355607023.db2.gz OENIJRVHHKEWJQ-GFNSNHMOSA-N 1 0 227.720 2.410 10 0 BEAERO [NH2+]=C(c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000062993978 181206709 /nfs/dbraw/zinc/20/67/09/181206709.db2.gz JUXDMCWHPKSKBJ-UHFFFAOYSA-N 1 0 243.354 2.040 10 0 BEAERO [NH2+]=C(c1ccccc1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000062991768 181206938 /nfs/dbraw/zinc/20/69/38/181206938.db2.gz AXLIDKIPDNEKFO-QWHCGFSZSA-N 1 0 230.311 2.265 10 0 BEAERO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000350705136 355744515 /nfs/dbraw/zinc/74/45/15/355744515.db2.gz YXPKJYBHVINBNT-GRYCIOLGSA-N 1 0 225.332 2.203 10 0 BEAERO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000350705139 355744529 /nfs/dbraw/zinc/74/45/29/355744529.db2.gz YXPKJYBHVINBNT-SDDRHHMPSA-N 1 0 225.332 2.203 10 0 BEAERO CCN1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389180667 355763409 /nfs/dbraw/zinc/76/34/09/355763409.db2.gz QHVWLFVHRUBEMP-CHWSQXEVSA-N 1 0 212.381 2.352 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCN(CC)C2)o1 ZINC000389197266 355838799 /nfs/dbraw/zinc/83/87/99/355838799.db2.gz XOXVPMPXOIBMCD-NSHDSACASA-N 1 0 222.332 2.026 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ccc(C#N)cc2)C[NH2+]1 ZINC000399202900 355851655 /nfs/dbraw/zinc/85/16/55/355851655.db2.gz UUVCWWRDTRPOCP-GXFFZTMASA-N 1 0 215.300 2.111 10 0 BEAERO Cc1ccc(N[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000399241606 355868869 /nfs/dbraw/zinc/86/88/69/355868869.db2.gz ULISWARYDNQBCZ-WDEREUQCSA-N 1 0 249.314 2.456 10 0 BEAERO Cc1ccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000399241600 355869136 /nfs/dbraw/zinc/86/91/36/355869136.db2.gz ULISWARYDNQBCZ-GHMZBOCLSA-N 1 0 249.314 2.456 10 0 BEAERO CC(C)=CC[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000192344139 355982261 /nfs/dbraw/zinc/98/22/61/355982261.db2.gz WJXILHFTHUKIAP-STQMWFEESA-N 1 0 209.333 2.500 10 0 BEAERO NC(=O)CC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040940921 181227178 /nfs/dbraw/zinc/22/71/78/181227178.db2.gz IPQKGHUSUDDONI-SECBINFHSA-N 1 0 247.125 2.259 10 0 BEAERO CCC[C@@H](CCO)C[NH2+][C@@H]1CCCSC1 ZINC000128306932 324822653 /nfs/dbraw/zinc/82/26/53/324822653.db2.gz VFWOGYMKJGFKQV-NWDGAFQWSA-N 1 0 231.405 2.270 10 0 BEAERO N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000020260085 356487518 /nfs/dbraw/zinc/48/75/18/356487518.db2.gz PMDGVUJWHYIPGG-KGLIPLIRSA-N 1 0 216.328 2.097 10 0 BEAERO C[C@H]1COCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336193312 134124780 /nfs/dbraw/zinc/12/47/80/134124780.db2.gz MQGRGPBGWHYINB-GHMZBOCLSA-N 1 0 233.302 2.390 10 0 BEAERO Cc1nc(C)c(C[N@H+]2C[C@H](O)CC[C@@H]2C)s1 ZINC000421003672 192297381 /nfs/dbraw/zinc/29/73/81/192297381.db2.gz COEGBDFEZHFWNX-GZMMTYOYSA-N 1 0 240.372 2.105 10 0 BEAERO FC1(F)CCC[C@H]1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000336195194 134125875 /nfs/dbraw/zinc/12/58/75/134125875.db2.gz RNZSDBXPMYPRQL-JTQLQIEISA-N 1 0 241.285 2.203 10 0 BEAERO O[C@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)C(F)(F)F ZINC000336215224 134136435 /nfs/dbraw/zinc/13/64/35/134136435.db2.gz MUULAJOEQHHKRI-PSASIEDQSA-N 1 0 237.265 2.174 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000381423080 538467688 /nfs/dbraw/zinc/46/76/88/538467688.db2.gz XYAPBEAEFBGENS-JHJVBQTASA-N 1 0 229.364 2.085 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCCN(C)C1)C(C)(C)C ZINC000380324017 538466275 /nfs/dbraw/zinc/46/62/75/538466275.db2.gz LJJMPVWVPSVXTL-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO c1nn(CC2CCC2)cc1C[NH2+]C1CCC1 ZINC000675056676 538479038 /nfs/dbraw/zinc/47/90/38/538479038.db2.gz VBCFPBOJUSZBKC-UHFFFAOYSA-N 1 0 219.332 2.325 10 0 BEAERO COc1nscc1[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000675059515 538484127 /nfs/dbraw/zinc/48/41/27/538484127.db2.gz QRSKRXJRXVHEOK-VXNVDRBHSA-N 1 0 212.318 2.355 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](c2ccccc2F)CO1 ZINC000675058576 538482522 /nfs/dbraw/zinc/48/25/22/538482522.db2.gz MJEZDZJSAXUQSM-NXEZZACHSA-N 1 0 209.264 2.047 10 0 BEAERO CC[NH2+]Cc1c(N)cc(Cl)cc1F ZINC000675051057 538473659 /nfs/dbraw/zinc/47/36/59/538473659.db2.gz ISAOOHIRASTYDW-UHFFFAOYSA-N 1 0 202.660 2.171 10 0 BEAERO C[C@H]1CCCCN1CC12CCC(CC1)[NH2+]2 ZINC000675055959 538476928 /nfs/dbraw/zinc/47/69/28/538476928.db2.gz FKMLVQCNBOLLCQ-HIFPTAJRSA-N 1 0 208.349 2.145 10 0 BEAERO COCCC[NH2+]CC1CCC(F)(F)CC1 ZINC000675055871 538477337 /nfs/dbraw/zinc/47/73/37/538477337.db2.gz AQLZYBUXOWRUIK-UHFFFAOYSA-N 1 0 221.291 2.438 10 0 BEAERO CCCc1cn2c(n1)[C@@H](CCF)[NH2+]CCC2 ZINC000675068733 538496864 /nfs/dbraw/zinc/49/68/64/538496864.db2.gz SEWIINJKSDECFP-LLVKDONJSA-N 1 0 225.311 2.230 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](c2ccc(F)cc2)CO1 ZINC000675060110 538486329 /nfs/dbraw/zinc/48/63/29/538486329.db2.gz AJEBGSWQZZEZRR-PWSUYJOCSA-N 1 0 209.264 2.047 10 0 BEAERO Cc1ccc([C@@H]2CC[C@@H](C[NH3+])OC2)cc1 ZINC000675060989 538486860 /nfs/dbraw/zinc/48/68/60/538486860.db2.gz UKUVAMIRLQHHIS-OLZOCXBDSA-N 1 0 205.301 2.216 10 0 BEAERO Cc1ccccc1[C@@H]1CC[C@@H](C[NH3+])OC1 ZINC000675060875 538487054 /nfs/dbraw/zinc/48/70/54/538487054.db2.gz QUOWYIJKMHRJPP-NEPJUHHUSA-N 1 0 205.301 2.216 10 0 BEAERO CC[C@H](C)c1nnc([C@H]([NH3+])[C@@H](C)CC)[nH]1 ZINC000675061372 538487193 /nfs/dbraw/zinc/48/71/93/538487193.db2.gz ZWRAZIVBBAEYLO-XHNCKOQMSA-N 1 0 210.325 2.364 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(OC)ns1 ZINC000399097637 366324708 /nfs/dbraw/zinc/32/47/08/366324708.db2.gz ZGCGAPVZSNDNEX-WPRPVWTQSA-N 1 0 226.345 2.430 10 0 BEAERO COc1nc2cc(C)cc(C)c2cc1C[NH3+] ZINC000675070472 538502294 /nfs/dbraw/zinc/50/22/94/538502294.db2.gz ZJKNAMIUXPJWOH-UHFFFAOYSA-N 1 0 216.284 2.319 10 0 BEAERO CCCc1cccc2c1OCC[C@@H]2C[NH3+] ZINC000675074526 538507381 /nfs/dbraw/zinc/50/73/81/538507381.db2.gz YKXNQTMIFVWAIR-LLVKDONJSA-N 1 0 205.301 2.464 10 0 BEAERO CC(C)C(=O)CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000675075290 538508994 /nfs/dbraw/zinc/50/89/94/538508994.db2.gz KQGSMYABJPCDHL-ZDUSSCGKSA-N 1 0 240.391 2.018 10 0 BEAERO CC(C)C(=O)CCC[N@H+](C)C1CCN(C)CC1 ZINC000675075455 538509108 /nfs/dbraw/zinc/50/91/08/538509108.db2.gz PLONYMCOCLEOCN-UHFFFAOYSA-N 1 0 240.391 2.018 10 0 BEAERO CC(C)C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000675075946 538510842 /nfs/dbraw/zinc/51/08/42/538510842.db2.gz XNKNPFWAWNKYCP-UHFFFAOYSA-N 1 0 240.391 2.018 10 0 BEAERO [NH3+]CC[C@@H](O)c1c(Cl)cccc1Cl ZINC000083557796 538514270 /nfs/dbraw/zinc/51/42/70/538514270.db2.gz PHOCYVMEHORFNF-MRVPVSSYSA-N 1 0 220.099 2.376 10 0 BEAERO CC[C@H]1C[N@H+](CC(O)(CC)CC)CCS1 ZINC000163014324 202144715 /nfs/dbraw/zinc/14/47/15/202144715.db2.gz GUYVPXKUZRHYRC-NSHDSACASA-N 1 0 231.405 2.365 10 0 BEAERO CC[C@H](C[NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000083564255 538514404 /nfs/dbraw/zinc/51/44/04/538514404.db2.gz GGKGFHDQMAGMOJ-HZGVNTEJSA-N 1 0 219.737 2.420 10 0 BEAERO CC(C)C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675078826 538515730 /nfs/dbraw/zinc/51/57/30/538515730.db2.gz UHFOFBAYDIRUBY-NSHDSACASA-N 1 0 240.347 2.147 10 0 BEAERO COc1ccc([C@@H]2C[C@@H](F)C[NH2+]2)cc1OC ZINC000675082641 538523297 /nfs/dbraw/zinc/52/32/97/538523297.db2.gz RNRNPNYBVVKFSV-ZJUUUORDSA-N 1 0 225.263 2.076 10 0 BEAERO CC[C@@H](C[NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000083564254 538513140 /nfs/dbraw/zinc/51/31/40/538513140.db2.gz GGKGFHDQMAGMOJ-IMTBSYHQSA-N 1 0 219.737 2.420 10 0 BEAERO CC(C)OC[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000086524170 538558079 /nfs/dbraw/zinc/55/80/79/538558079.db2.gz QCPKBDBUWCVNTA-GFCCVEGCSA-N 1 0 211.280 2.121 10 0 BEAERO C[C@@](O)(CC[NH3+])c1cccc(Br)c1 ZINC000084554343 538533651 /nfs/dbraw/zinc/53/36/51/538533651.db2.gz ZKMSMCMQCWQLGE-SNVBAGLBSA-N 1 0 244.132 2.005 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@@H]1CCC[C@@H](C)C1 ZINC000127673407 538547841 /nfs/dbraw/zinc/54/78/41/538547841.db2.gz CUPOFNSDJZLADK-MXWKQRLJSA-N 1 0 213.321 2.093 10 0 BEAERO CC[C@@H](C[NH3+])[C@@H](O)c1cc(Cl)cs1 ZINC000086334996 538554011 /nfs/dbraw/zinc/55/40/11/538554011.db2.gz QQWWIMBJMCLNSQ-IMTBSYHQSA-N 1 0 219.737 2.420 10 0 BEAERO C[NH2+][C@H]1COc2c1c(F)ccc2Br ZINC000160403993 356705845 /nfs/dbraw/zinc/70/58/45/356705845.db2.gz WJKCOVAMBNGJQD-ZETCQYMHSA-N 1 0 246.079 2.241 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084300799 538529502 /nfs/dbraw/zinc/52/95/02/538529502.db2.gz QKPRNENUGIJRRL-VHSXEESVSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCC(C)(C)C2=O)C1 ZINC000130359503 538588522 /nfs/dbraw/zinc/58/85/22/538588522.db2.gz QSJVACRIELFXCJ-OUAUKWLOSA-N 1 0 209.333 2.380 10 0 BEAERO C[C@@H]1CCC[C@H](CC(=O)c2cscn2)[NH2+]1 ZINC000130389985 538589597 /nfs/dbraw/zinc/58/95/97/538589597.db2.gz KBLISXNUOGQLDC-RKDXNWHRSA-N 1 0 224.329 2.247 10 0 BEAERO COCc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000088553516 356739362 /nfs/dbraw/zinc/73/93/62/356739362.db2.gz AGAISIBLOPNTAZ-HUUCEWRRSA-N 1 0 249.354 2.226 10 0 BEAERO C[C@H]1CC([N@@H+]2CCNC[C@H]2C)C[C@H](C)C1 ZINC000226668618 538613786 /nfs/dbraw/zinc/61/37/86/538613786.db2.gz ZIHFKVJATPZKCY-IJLUTSLNSA-N 1 0 210.365 2.105 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@H]1c1cc(F)cc(F)c1 ZINC000257586726 538737545 /nfs/dbraw/zinc/73/75/45/538737545.db2.gz PDEPJIGNWGLTQI-NEPJUHHUSA-N 1 0 226.270 2.059 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@H]1c1ccc(F)c(F)c1 ZINC000257585628 538737708 /nfs/dbraw/zinc/73/77/08/538737708.db2.gz KDJJDGQYCDVRRQ-CABZTGNLSA-N 1 0 226.270 2.059 10 0 BEAERO Cc1nc(-c2ccoc2C)sc1C[NH3+] ZINC000160435231 356971899 /nfs/dbraw/zinc/97/18/99/356971899.db2.gz UVNIBZIDBMSAJT-UHFFFAOYSA-N 1 0 208.286 2.479 10 0 BEAERO CO[C@@H](C[NH3+])c1ccc(C)cc1Br ZINC000129814206 356975087 /nfs/dbraw/zinc/97/50/87/356975087.db2.gz MSIDPZZKMIQNFC-JTQLQIEISA-N 1 0 244.132 2.404 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000117383642 356979328 /nfs/dbraw/zinc/97/93/28/356979328.db2.gz JOFHCUVLQOOJEJ-NSHDSACASA-N 1 0 239.388 2.025 10 0 BEAERO CCN1CC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389572806 356993715 /nfs/dbraw/zinc/99/37/15/356993715.db2.gz WPEMYAXMFBCYQC-CPCZMJQVSA-N 1 0 210.365 2.105 10 0 BEAERO CCc1cc(CC)nc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389696511 357015199 /nfs/dbraw/zinc/01/51/99/357015199.db2.gz DNCNIKMQYKLKIA-GWCFXTLKSA-N 1 0 248.374 2.011 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1nccc(C(C)(C)C)n1 ZINC000389706742 357018207 /nfs/dbraw/zinc/01/82/07/357018207.db2.gz ONGSBDAWSHRXLY-MNOVXSKESA-N 1 0 248.374 2.184 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000053590855 357067579 /nfs/dbraw/zinc/06/75/79/357067579.db2.gz HUQVRJAMCDSPDP-GXTWGEPZSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@@H]1c1ccco1 ZINC000193446045 357077810 /nfs/dbraw/zinc/07/78/10/357077810.db2.gz KKBPAGYISFBPHW-GFCCVEGCSA-N 1 0 222.332 2.415 10 0 BEAERO [NH3+]C1(C(=O)Cc2cccc(F)c2Cl)CC1 ZINC000226435368 357148428 /nfs/dbraw/zinc/14/84/28/357148428.db2.gz DTOVARQGOGLTIC-UHFFFAOYSA-N 1 0 227.666 2.082 10 0 BEAERO C[C@H]1Oc2cc(Br)c(F)cc2[C@@H]1[NH3+] ZINC000137656169 357223975 /nfs/dbraw/zinc/22/39/75/357223975.db2.gz HWDIASYDIKRVTK-ALFREKQPSA-N 1 0 246.079 2.369 10 0 BEAERO C(=C\c1ccccc1)\CN1CC[NH+]2CCC1CC2 ZINC000204386905 538823219 /nfs/dbraw/zinc/82/32/19/538823219.db2.gz LGWAFBWTSXBLIZ-DAXSKMNVSA-N 1 0 242.366 2.480 10 0 BEAERO CC(C)C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C)C(C)C ZINC000392904904 357263801 /nfs/dbraw/zinc/26/38/01/357263801.db2.gz VXCPBHGJUFGPME-WCQYABFASA-N 1 0 240.391 2.171 10 0 BEAERO NNc1[nH+]nc(Cl)c2c1C1CCC2CC1 ZINC000015042898 357338930 /nfs/dbraw/zinc/33/89/30/357338930.db2.gz OKYVDAQDLSUHPJ-UHFFFAOYSA-N 1 0 224.695 2.170 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)[C@@H]1CCCO1 ZINC000188631157 357569352 /nfs/dbraw/zinc/56/93/52/357569352.db2.gz KPRVCDIZGDDMQL-YUTCNCBUSA-N 1 0 241.375 2.085 10 0 BEAERO CC(C)=C(F)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188682716 357572043 /nfs/dbraw/zinc/57/20/43/357572043.db2.gz AAKBQBQYSDZRSU-UHFFFAOYSA-N 1 0 248.301 2.169 10 0 BEAERO COC1CC([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000230673801 357548591 /nfs/dbraw/zinc/54/85/91/357548591.db2.gz JWCVECCHYFERCG-XIVSLSHWSA-N 1 0 233.311 2.277 10 0 BEAERO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)O1 ZINC000188576058 357562666 /nfs/dbraw/zinc/56/26/66/357562666.db2.gz GRUVHJDPCXUKDL-MRVWCRGKSA-N 1 0 249.358 2.125 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCc2ccncc2)o1 ZINC000231742484 357624205 /nfs/dbraw/zinc/62/42/05/357624205.db2.gz YPZANFBMPVZWLE-LLVKDONJSA-N 1 0 231.299 2.271 10 0 BEAERO Cc1cc(C)cc(C[N@@H+]2CCCNC(=O)[C@H]2C)c1 ZINC000189083087 357604505 /nfs/dbraw/zinc/60/45/05/357604505.db2.gz ATUQZMIQLYFQOC-CYBMUJFWSA-N 1 0 246.354 2.014 10 0 BEAERO O=C(C[C@H]1CCCCC[NH2+]1)c1cncs1 ZINC000229143494 538881378 /nfs/dbraw/zinc/88/13/78/538881378.db2.gz LKLWXMCZKHUMBX-SECBINFHSA-N 1 0 224.329 2.248 10 0 BEAERO CCCC[N@H+](CCO)[C@@H]1CC[C@@H]2CC[C@@H]21 ZINC000685948657 538890751 /nfs/dbraw/zinc/89/07/51/538890751.db2.gz SITQTDWGSWYYCN-RWMBFGLXSA-N 1 0 211.349 2.269 10 0 BEAERO CC(C)(C)OC(=O)C1([C@@H]2CCC[NH2+]C2)CC1 ZINC000685948595 538890871 /nfs/dbraw/zinc/89/08/71/538890871.db2.gz CGXUNHDOIZJDBZ-SNVBAGLBSA-N 1 0 225.332 2.108 10 0 BEAERO CCC1(C)CC[NH+]([C@H]2CCNC[C@H]2F)CC1 ZINC000685948674 538891201 /nfs/dbraw/zinc/89/12/01/538891201.db2.gz SVDTUHWELQOJEN-NEPJUHHUSA-N 1 0 228.355 2.199 10 0 BEAERO [NH3+]C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000685948840 538892075 /nfs/dbraw/zinc/89/20/75/538892075.db2.gz DOGAVBYZCFOQQX-WCBMZHEXSA-N 1 0 231.217 2.127 10 0 BEAERO c1cc([C@H]2CC[NH2+]C2)ccc1[C@H]1CCO1 ZINC000685950023 538893310 /nfs/dbraw/zinc/89/33/10/538893310.db2.gz FBVDMOMEDANRKE-QWHCGFSZSA-N 1 0 203.285 2.225 10 0 BEAERO C[C@H](COCc1ccccc1)Cn1cc[nH+]c1N ZINC000685951057 538894311 /nfs/dbraw/zinc/89/43/11/538894311.db2.gz FILJFZQDLRMRBV-LBPRGKRZSA-N 1 0 245.326 2.318 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](C)C1N1CCC2(CC2)CC1 ZINC000685951138 538894396 /nfs/dbraw/zinc/89/43/96/538894396.db2.gz NZTURPUDUVBTBR-RYUDHWBXSA-N 1 0 222.376 2.106 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000232870770 357686616 /nfs/dbraw/zinc/68/66/16/357686616.db2.gz TXBLQVFDHPRXOY-KBPBESRZSA-N 1 0 239.359 2.389 10 0 BEAERO CC[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000190439484 357708173 /nfs/dbraw/zinc/70/81/73/357708173.db2.gz PCSFZXXFTDACEQ-CHWSQXEVSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1cccc([C@H](C)[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191074527 357746886 /nfs/dbraw/zinc/74/68/86/357746886.db2.gz AKYDPVYIKIZLPI-ZDUSSCGKSA-N 1 0 246.354 2.220 10 0 BEAERO CC[C@@H](c1ccccc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191084095 357748613 /nfs/dbraw/zinc/74/86/13/357748613.db2.gz YNWORIJVAAXLEE-AWEZNQCLSA-N 1 0 246.354 2.302 10 0 BEAERO CC[C@@H]([NH2+]Cc1cncn1CC)C(C)C ZINC000085183751 134225092 /nfs/dbraw/zinc/22/50/92/134225092.db2.gz NEQYGUAUTJFCGP-GFCCVEGCSA-N 1 0 209.337 2.427 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000193132007 357860924 /nfs/dbraw/zinc/86/09/24/357860924.db2.gz KHNGZFSFXKADSU-IJLUTSLNSA-N 1 0 248.374 2.007 10 0 BEAERO CCn1cc(C[NH2+][C@H](C(C)C)C2CC2)cn1 ZINC000129689592 491115658 /nfs/dbraw/zinc/11/56/58/491115658.db2.gz RGYOWKHCOYWUOX-CYBMUJFWSA-N 1 0 221.348 2.427 10 0 BEAERO CC[C@@]1(C)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000399442703 357890255 /nfs/dbraw/zinc/89/02/55/357890255.db2.gz USRSHGJUBFVLFH-JSGCOSHPSA-N 1 0 238.375 2.025 10 0 BEAERO CC(C)[NH2+]CCN[C@H](C)[C@@H]1COc2ccccc21 ZINC000193496845 357928715 /nfs/dbraw/zinc/92/87/15/357928715.db2.gz NTVNBSFZCZJXBL-OCCSQVGLSA-N 1 0 248.370 2.139 10 0 BEAERO Clc1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000035598847 358002617 /nfs/dbraw/zinc/00/26/17/358002617.db2.gz OLSZZTKKBGZPOK-NSHDSACASA-N 1 0 211.692 2.391 10 0 BEAERO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000220415556 358041154 /nfs/dbraw/zinc/04/11/54/358041154.db2.gz KKHBRNNEWWZVEH-WDEREUQCSA-N 1 0 226.364 2.199 10 0 BEAERO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000051951720 358110910 /nfs/dbraw/zinc/11/09/10/358110910.db2.gz GDZPWQCQDBQIJJ-GXTWGEPZSA-N 1 0 247.338 2.318 10 0 BEAERO C[NH2+][C@H](Cc1ccccc1C)[C@@H]1CCCO1 ZINC000038135876 358116011 /nfs/dbraw/zinc/11/60/11/358116011.db2.gz XEFOYNPICVGFOR-KGLIPLIRSA-N 1 0 219.328 2.305 10 0 BEAERO C[N@@H+]1CC[C@@H](c2c[nH]c3ccc(N)cc32)C1 ZINC000038435553 358152203 /nfs/dbraw/zinc/15/22/03/358152203.db2.gz NEQAWYTYZBCYHY-SECBINFHSA-N 1 0 215.300 2.169 10 0 BEAERO [NH3+]C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000038436485 358152943 /nfs/dbraw/zinc/15/29/43/358152943.db2.gz KACYEBSXIWUJQN-AWEZNQCLSA-N 1 0 240.306 2.116 10 0 BEAERO Cn1cc([C@@H]2CC[N@H+](C[Si](C)(C)C)C2)cn1 ZINC000172051958 134264639 /nfs/dbraw/zinc/26/46/39/134264639.db2.gz PBYOUQMBKJBCNY-LLVKDONJSA-N 1 0 237.423 2.087 10 0 BEAERO O[C@H](c1ccccc1[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000584613493 358277407 /nfs/dbraw/zinc/27/74/07/358277407.db2.gz LWBDAKSOQHCXQH-LDYMZIIASA-N 1 0 245.244 2.359 10 0 BEAERO NC(=[NH2+])c1cccc(CCc2ccncc2)c1 ZINC000584595007 358252149 /nfs/dbraw/zinc/25/21/49/358252149.db2.gz OPWQPISZKPUIJV-UHFFFAOYSA-N 1 0 225.295 2.151 10 0 BEAERO COc1c(O)ccc2c1CC[C@H]1[NH2+]CCC[C@H]21 ZINC000584596570 358253819 /nfs/dbraw/zinc/25/38/19/358253819.db2.gz DGOYXEYVYKSNAJ-ZYHUDNBSSA-N 1 0 233.311 2.183 10 0 BEAERO C[N@@H+](Cc1ccc[nH]1)C[C@H](O)c1ccccc1 ZINC000584596190 358253977 /nfs/dbraw/zinc/25/39/77/358253977.db2.gz ZPTSDXLQVUMSRU-AWEZNQCLSA-N 1 0 230.311 2.180 10 0 BEAERO COC(=O)c1ccc([C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000584597847 358255783 /nfs/dbraw/zinc/25/57/83/358255783.db2.gz PHKBIZKJYRCNGN-LBPRGKRZSA-N 1 0 249.310 2.296 10 0 BEAERO CCC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000134602004 325366832 /nfs/dbraw/zinc/36/68/32/325366832.db2.gz GBDIGNIMVXPYHK-OLZOCXBDSA-N 1 0 240.391 2.221 10 0 BEAERO O=C(CC[NH+]1CCCCC1)c1ccncc1 ZINC000584620990 358288032 /nfs/dbraw/zinc/28/80/32/358288032.db2.gz AHWRQOMOGJVTEJ-UHFFFAOYSA-N 1 0 218.300 2.140 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1CN1CC2CCC1CC2 ZINC000584624945 358293801 /nfs/dbraw/zinc/29/38/01/358293801.db2.gz QRJVUEJYNVVXFM-JXQTWKCFSA-N 1 0 222.376 2.345 10 0 BEAERO Cc1ccc(C2(C[NH3+])CCOCC2)cc1F ZINC000584625706 358294967 /nfs/dbraw/zinc/29/49/67/358294967.db2.gz PSURZPTYDPKTTD-UHFFFAOYSA-N 1 0 223.291 2.141 10 0 BEAERO C[C@@H]1Cn2ncc(-c3ccc(F)cc3F)c2C[NH2+]1 ZINC000584648255 358302641 /nfs/dbraw/zinc/30/26/41/358302641.db2.gz FFCZJRFUQVSEBX-MRVPVSSYSA-N 1 0 249.264 2.320 10 0 BEAERO Cc1cc(-c2ccc(C[NH3+])cc2)cc(=O)[nH]1 ZINC000584645566 358330810 /nfs/dbraw/zinc/33/08/10/358330810.db2.gz DRBWWDFGTHOKSX-UHFFFAOYSA-N 1 0 214.268 2.221 10 0 BEAERO CC[N@@H+]1CC[C@@H]([C@@H](O)c2ccccc2)C1 ZINC000584633992 358317986 /nfs/dbraw/zinc/31/79/86/358317986.db2.gz VWFIZHXBKQSZQF-OLZOCXBDSA-N 1 0 205.301 2.062 10 0 BEAERO c1[nH]cc2c1C[C@H]1[NH2+]Cc3ccccc3[C@@H]1C2 ZINC000584639053 358324441 /nfs/dbraw/zinc/32/44/41/358324441.db2.gz WYHINIIYXNAAOE-LSDHHAIUSA-N 1 0 224.307 2.369 10 0 BEAERO Cc1nnc(C[NH2+][C@@H](C(C)C)C2CC2)s1 ZINC000134721601 325373171 /nfs/dbraw/zinc/37/31/71/325373171.db2.gz GTNJOLOUFIEFRF-NSHDSACASA-N 1 0 225.361 2.371 10 0 BEAERO COC1(C[NH2+][C@@H]2CCCSC2)CCC1 ZINC000134825067 325377848 /nfs/dbraw/zinc/37/78/48/325377848.db2.gz NUEPXMHUBVCYRI-SNVBAGLBSA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)N(CC1CC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000042562253 358351391 /nfs/dbraw/zinc/35/13/91/358351391.db2.gz JSCHKCNKPODRQT-UHFFFAOYSA-N 1 0 246.354 2.406 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1nccc(C(F)(F)F)n1 ZINC000228270214 358372264 /nfs/dbraw/zinc/37/22/64/358372264.db2.gz GCPOLKVLQSUWMS-BQBZGAKWSA-N 1 0 248.252 2.033 10 0 BEAERO CCOC(=O)C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000043622523 358384505 /nfs/dbraw/zinc/38/45/05/358384505.db2.gz XKUWPCSHXBZPCA-GFCCVEGCSA-N 1 0 247.338 2.386 10 0 BEAERO c1ccc2c(c1)ncnc2NC[C@H]1CCC[NH2+]C1 ZINC000044502959 358388821 /nfs/dbraw/zinc/38/88/21/358388821.db2.gz GHIADFIEDFEUME-NSHDSACASA-N 1 0 242.326 2.041 10 0 BEAERO CC[NH+](CC)[C@H](C)[C@@H](O)c1ccc(OC)cc1 ZINC000044115997 358403503 /nfs/dbraw/zinc/40/35/03/358403503.db2.gz ZADXTHKYPSXLTR-BXUZGUMPSA-N 1 0 237.343 2.459 10 0 BEAERO CCc1cnc(CC[NH2+][C@@H](C)CCOC)s1 ZINC000124643821 358520701 /nfs/dbraw/zinc/52/07/01/358520701.db2.gz YXTLVFVGHSEXIB-JTQLQIEISA-N 1 0 242.388 2.263 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000224133271 358562906 /nfs/dbraw/zinc/56/29/06/358562906.db2.gz RTGLJOLFIHKHEJ-FRRDWIJNSA-N 1 0 209.333 2.236 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000300211048 358539146 /nfs/dbraw/zinc/53/91/46/358539146.db2.gz NHDLATHUSRQORY-HBNTYKKESA-N 1 0 242.363 2.430 10 0 BEAERO C[C@H]([NH2+]CCOC1CCCCC1)[C@H]1CCOC1 ZINC000129958623 358603096 /nfs/dbraw/zinc/60/30/96/358603096.db2.gz ODWRBBXSNPSLHQ-STQMWFEESA-N 1 0 241.375 2.350 10 0 BEAERO c1ccc(C[NH2+][C@@H]2CCN3CCC[C@@H]23)cc1 ZINC000224145166 358609914 /nfs/dbraw/zinc/60/99/14/358609914.db2.gz SCTRVPQBVADAOD-KGLIPLIRSA-N 1 0 216.328 2.013 10 0 BEAERO CC[C@H](COC)[NH2+][C@@H](CO)c1sccc1C ZINC000130453696 358626420 /nfs/dbraw/zinc/62/64/20/358626420.db2.gz OYOMEPGBEVEQSV-MNOVXSKESA-N 1 0 243.372 2.105 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](C)O)c1cccc(OC)c1 ZINC000131142169 358662116 /nfs/dbraw/zinc/66/21/16/358662116.db2.gz NHBVLOOCQXJOHC-ZWNOBZJWSA-N 1 0 223.316 2.117 10 0 BEAERO CC(C)C[n+]1ccccc1Br ZINC000306148157 358758978 /nfs/dbraw/zinc/75/89/78/358758978.db2.gz BKVLVKXOASWQCC-UHFFFAOYSA-N 1 0 215.114 2.393 10 0 BEAERO COc1cc(C)nc(C[NH2+]CCc2ccco2)c1 ZINC000214149099 358760687 /nfs/dbraw/zinc/76/06/87/358760687.db2.gz IWSDJSYUYQIQGC-UHFFFAOYSA-N 1 0 246.310 2.324 10 0 BEAERO OCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000132102191 358708182 /nfs/dbraw/zinc/70/81/82/358708182.db2.gz OIOWCEJBIRLZNH-NSHDSACASA-N 1 0 241.718 2.136 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1 ZINC000050394464 358726105 /nfs/dbraw/zinc/72/61/05/358726105.db2.gz WLEPUDXUIVQSMC-CHWSQXEVSA-N 1 0 232.327 2.006 10 0 BEAERO O=C1NCCC[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000050395480 358726309 /nfs/dbraw/zinc/72/63/09/358726309.db2.gz JCZVTTPZIVTYCM-UONOGXRCSA-N 1 0 244.338 2.006 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)cc1C ZINC000050394557 358726582 /nfs/dbraw/zinc/72/65/82/358726582.db2.gz JQBRJQMSLVJHLI-TZMCWYRMSA-N 1 0 246.354 2.233 10 0 BEAERO CC(C)[C@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC000134982272 358813434 /nfs/dbraw/zinc/81/34/34/358813434.db2.gz FYMSSUOGPIYXAQ-LBPRGKRZSA-N 1 0 234.343 2.186 10 0 BEAERO COc1cccc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052761821 358792456 /nfs/dbraw/zinc/79/24/56/358792456.db2.gz BOMAPRKFLQGHMX-AWEZNQCLSA-N 1 0 249.354 2.432 10 0 BEAERO CS[C@H]1CCCC[N@H+](CCC(C)=O)C1 ZINC000134582282 358796082 /nfs/dbraw/zinc/79/60/82/358796082.db2.gz HQZDBSFLTUKUIU-NSHDSACASA-N 1 0 215.362 2.183 10 0 BEAERO CS[C@@H]1CCCC[N@H+](CCC(C)=O)C1 ZINC000134582306 358796183 /nfs/dbraw/zinc/79/61/83/358796183.db2.gz HQZDBSFLTUKUIU-LLVKDONJSA-N 1 0 215.362 2.183 10 0 BEAERO CC(C)[C@@](C)(CO)[NH2+]Cc1ccccc1 ZINC000052883957 358798359 /nfs/dbraw/zinc/79/83/59/358798359.db2.gz LHRQLQQGDCLWEE-CYBMUJFWSA-N 1 0 207.317 2.183 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000053655475 358837516 /nfs/dbraw/zinc/83/75/16/358837516.db2.gz RYSCLERCUYSEES-OAHLLOKOSA-N 1 0 247.386 2.292 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054078866 358850625 /nfs/dbraw/zinc/85/06/25/358850625.db2.gz ANVZJCKCXRSQJJ-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054078873 358850899 /nfs/dbraw/zinc/85/08/99/358850899.db2.gz ANVZJCKCXRSQJJ-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000040502107 358897065 /nfs/dbraw/zinc/89/70/65/358897065.db2.gz QVROZKFBOVETRJ-LBPRGKRZSA-N 1 0 224.373 2.322 10 0 BEAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccsc1 ZINC000061363523 358933225 /nfs/dbraw/zinc/93/32/25/358933225.db2.gz KCSZAHGRXFTZOQ-SECBINFHSA-N 1 0 240.372 2.313 10 0 BEAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cccc(O)c1 ZINC000396637440 358942588 /nfs/dbraw/zinc/94/25/88/358942588.db2.gz AKIAJWFKZSFLDV-MISXGVKJSA-N 1 0 234.343 2.183 10 0 BEAERO C[C@@H]1CSCCN1C(=[NH2+])NCc1ccccc1 ZINC000306155934 358946603 /nfs/dbraw/zinc/94/66/03/358946603.db2.gz LPKUMUJONMAANW-LLVKDONJSA-N 1 0 249.383 2.148 10 0 BEAERO CS[C@H]1CCCC[C@H]1NC1=[NH+]CCS1 ZINC000300385323 358981123 /nfs/dbraw/zinc/98/11/23/358981123.db2.gz KJPWBMMTHAZRID-BDAKNGLRSA-N 1 0 230.402 2.353 10 0 BEAERO C[C@@]1([C@H]([NH3+])c2ccsn2)CCCS1 ZINC000306179919 358990779 /nfs/dbraw/zinc/99/07/79/358990779.db2.gz IYXJRSBOJJVFFN-BDAKNGLRSA-N 1 0 214.359 2.429 10 0 BEAERO Nc1[nH+]ccn1Cc1ccsc1Cl ZINC000306183940 359002366 /nfs/dbraw/zinc/00/23/66/359002366.db2.gz ARRKLACEAMEMSG-UHFFFAOYSA-N 1 0 213.693 2.229 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCc2ncnn2C1 ZINC000246436800 359085889 /nfs/dbraw/zinc/08/58/89/359085889.db2.gz OGHRXKVNJLRJPW-UTUOFQBUSA-N 1 0 248.374 2.007 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H]1C=CCC1 ZINC000247558369 359234270 /nfs/dbraw/zinc/23/42/70/359234270.db2.gz ZWJILILBTWUGDQ-RDBSUJKOSA-N 1 0 248.370 2.038 10 0 BEAERO CCCC[C@H](COC)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000247939841 359249523 /nfs/dbraw/zinc/24/95/23/359249523.db2.gz CXPTWDVDTGOEDT-MGPQQGTHSA-N 1 0 243.391 2.332 10 0 BEAERO CSCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000075715368 359202456 /nfs/dbraw/zinc/20/24/56/359202456.db2.gz HCLTWVJCRXJVPT-VIFPVBQESA-N 1 0 205.392 2.177 10 0 BEAERO C[NH2+][C@@H]1CC[C@](C)(c2cc(C)ns2)C1 ZINC000306200655 359289577 /nfs/dbraw/zinc/28/95/77/359289577.db2.gz JTJXPXDUZCHGOM-KOLCDFICSA-N 1 0 210.346 2.481 10 0 BEAERO O[C@@]1(c2ccc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306203631 359293234 /nfs/dbraw/zinc/29/32/34/359293234.db2.gz RMRGUISXLNZGNG-HNNXBMFYSA-N 1 0 242.322 2.108 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(c2ncc(Cl)cn2)C1 ZINC000306212410 359307113 /nfs/dbraw/zinc/30/71/13/359307113.db2.gz VQTMFMTXAWTZBI-XCBNKYQSSA-N 1 0 211.696 2.104 10 0 BEAERO FCCNC1=[NH+][C@@H]2CCCC[C@@H]2CS1 ZINC000306226567 359354773 /nfs/dbraw/zinc/35/47/73/359354773.db2.gz VYNOQOPKFTUGSA-RKDXNWHRSA-N 1 0 216.325 2.207 10 0 BEAERO CCCNC(=[NH2+])[C@H]1SCCS[C@@H]1C ZINC000228187240 359359582 /nfs/dbraw/zinc/35/95/82/359359582.db2.gz PVCZUHRIGWVKOU-SFYZADRCSA-N 1 0 218.391 2.200 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1ccsc1Cl ZINC000306222768 359345620 /nfs/dbraw/zinc/34/56/20/359345620.db2.gz KTBASMZOPHQSKH-RXMQYKEDSA-N 1 0 203.694 2.322 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@@H]1c1csc(C)c1 ZINC000306221334 359346692 /nfs/dbraw/zinc/34/66/92/359346692.db2.gz JKFHHVGGLYFXIV-MNOVXSKESA-N 1 0 210.346 2.151 10 0 BEAERO CC(F)(F)CCNc1c[nH+]ccc1N ZINC000306223658 359348716 /nfs/dbraw/zinc/34/87/16/359348716.db2.gz SLPFYMWPKOSFTA-UHFFFAOYSA-N 1 0 201.220 2.121 10 0 BEAERO Cc1ccc([C@@](C)(O)[C@@H](C)[NH3+])cc1Cl ZINC000306245354 359428760 /nfs/dbraw/zinc/42/87/60/359428760.db2.gz NSABCZKQUGOVIY-KCJUWKMLSA-N 1 0 213.708 2.203 10 0 BEAERO Cc1ccc([C@](C)(O)[C@@H](C)[NH3+])cc1Cl ZINC000306245356 359428807 /nfs/dbraw/zinc/42/88/07/359428807.db2.gz NSABCZKQUGOVIY-LDYMZIIASA-N 1 0 213.708 2.203 10 0 BEAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Cl)sc1Cl ZINC000306255166 359460297 /nfs/dbraw/zinc/46/02/97/359460297.db2.gz MGDRREHPQRDDMG-AWFVSMACSA-N 1 0 226.128 2.436 10 0 BEAERO C[C@H]1C[N@@H+](C2CCSCC2)CCS1 ZINC000306283453 359517054 /nfs/dbraw/zinc/51/70/54/359517054.db2.gz ISFSZXUIEGKKAA-VIFPVBQESA-N 1 0 217.403 2.319 10 0 BEAERO C[C@@H](O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000001723274 359632211 /nfs/dbraw/zinc/63/22/11/359632211.db2.gz APLPFTYDMDHGAR-GFCCVEGCSA-N 1 0 219.328 2.279 10 0 BEAERO CC[N@H+]1C[C@H](Nc2ncc(C)s2)[C@@H](C)C1 ZINC000309030410 491142595 /nfs/dbraw/zinc/14/25/95/491142595.db2.gz DHIZXVZRYWDFJG-WPRPVWTQSA-N 1 0 225.361 2.204 10 0 BEAERO C[NH2+]C(C)(C)C(=O)c1occc1Br ZINC000169187857 359700958 /nfs/dbraw/zinc/70/09/58/359700958.db2.gz ZDTDXSAUVCNPKV-UHFFFAOYSA-N 1 0 246.104 2.223 10 0 BEAERO C[NH2+]C(C)(C)C(=O)c1ccc(F)cc1C ZINC000169198213 359749910 /nfs/dbraw/zinc/74/99/10/359749910.db2.gz USEYHCUELWOKRN-UHFFFAOYSA-N 1 0 209.264 2.315 10 0 BEAERO N[C@@H](c1csnn1)c1ccsc1Cl ZINC000306411325 359819838 /nfs/dbraw/zinc/81/98/38/359819838.db2.gz NQINFPLKDJSFDH-ZCFIWIBFSA-N 1 0 231.733 2.301 10 0 BEAERO CC[C@H]1C[NH+]=C(NCc2cscn2)S1 ZINC000230007509 359807331 /nfs/dbraw/zinc/80/73/31/359807331.db2.gz SESNANHCXREXOP-QMMMGPOBSA-N 1 0 227.358 2.114 10 0 BEAERO CCc1nc2c(s1)CCC[C@@H]2C[NH2+]C ZINC000231341656 359857710 /nfs/dbraw/zinc/85/77/10/359857710.db2.gz XUINWYDCDNTETH-MRVPVSSYSA-N 1 0 210.346 2.345 10 0 BEAERO CCc1nnc(C[NH2+]C2(CC)CCCC2)n1C ZINC000451276500 202395497 /nfs/dbraw/zinc/39/54/97/202395497.db2.gz ORBJCCALTPDBPE-UHFFFAOYSA-N 1 0 236.363 2.190 10 0 BEAERO CCCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000087521309 359916751 /nfs/dbraw/zinc/91/67/51/359916751.db2.gz JPEQQDFGOCTTEV-UHFFFAOYSA-N 1 0 218.300 2.071 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CN(CC)C[C@H]1C)C1CC1 ZINC000309171496 491145805 /nfs/dbraw/zinc/14/58/05/491145805.db2.gz LKUKINDZXYCEHO-KGYLQXTDSA-N 1 0 210.365 2.105 10 0 BEAERO CSC1([C@H]2[NH2+]C[C@@H](C)CS2)CC1 ZINC000306446623 360013293 /nfs/dbraw/zinc/01/32/93/360013293.db2.gz BOXSHDNABCMLLV-SFYZADRCSA-N 1 0 203.376 2.181 10 0 BEAERO C[C@@]1(C2CCC2)C[NH+]=C(N)N1Cc1ccccc1 ZINC000306446736 360021361 /nfs/dbraw/zinc/02/13/61/360021361.db2.gz VCNNIRXHHBAMHU-HNNXBMFYSA-N 1 0 243.354 2.376 10 0 BEAERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1F ZINC000089162222 359995570 /nfs/dbraw/zinc/99/55/70/359995570.db2.gz QCHKLKJFHWYTBH-TZMCWYRMSA-N 1 0 237.318 2.385 10 0 BEAERO CC(C)n1cncc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000090207727 360064761 /nfs/dbraw/zinc/06/47/61/360064761.db2.gz DIGGXQZONJBPNI-WCQYABFASA-N 1 0 237.347 2.121 10 0 BEAERO Cc1cc(=S)[nH]c(CN2CCCC2)n1 ZINC000306469350 360083064 /nfs/dbraw/zinc/08/30/64/360083064.db2.gz PKOMEFFJKGZHFM-UHFFFAOYSA-N 1 0 209.318 2.043 10 0 BEAERO CC1(NC2=[NH+]C[C@@H](C3CCC3)S2)CC1 ZINC000306468919 360084014 /nfs/dbraw/zinc/08/40/14/360084014.db2.gz ONQXVTFEEVSHPI-VIFPVBQESA-N 1 0 210.346 2.400 10 0 BEAERO CC(C)(C)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091856050 360131739 /nfs/dbraw/zinc/13/17/39/360131739.db2.gz ANYGYUCWVHVEFC-QWRGUYRKSA-N 1 0 229.389 2.239 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(F)cn1 ZINC000092196583 360156025 /nfs/dbraw/zinc/15/60/25/360156025.db2.gz FXGJJSAMNALPFM-SBMIAAHKSA-N 1 0 224.279 2.049 10 0 BEAERO CC[C@@]1(c2cnc(OC)s2)CCC[NH2+]1 ZINC000306489445 360177680 /nfs/dbraw/zinc/17/76/80/360177680.db2.gz LLOMTJVCZQPMGO-JTQLQIEISA-N 1 0 212.318 2.140 10 0 BEAERO [NH3+][C@H](c1ccc[nH]1)c1cncc(Cl)c1 ZINC000306490655 360206628 /nfs/dbraw/zinc/20/66/28/360206628.db2.gz ZDXWGJSZURBHSD-JTQLQIEISA-N 1 0 207.664 2.111 10 0 BEAERO C[C@H]1C[C@H](C)N(C(=[NH2+])NCc2ccccc2)C1 ZINC000306501023 360296310 /nfs/dbraw/zinc/29/63/10/360296310.db2.gz ZKYNOAVNIJKLMI-RYUDHWBXSA-N 1 0 231.343 2.441 10 0 BEAERO CCO[C@H]1C[C@H]([NH2+]C2COC2)C12CCCCC2 ZINC000094710077 360316299 /nfs/dbraw/zinc/31/62/99/360316299.db2.gz MQPRFZHQCYLRCW-STQMWFEESA-N 1 0 239.359 2.103 10 0 BEAERO C[C@@H](n1cncc1[C@H](C)[NH3+])C(F)(F)F ZINC000306523718 360360994 /nfs/dbraw/zinc/36/09/94/360360994.db2.gz UQRZUFYPDJBXJW-NTSWFWBYSA-N 1 0 207.199 2.026 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nccs1 ZINC000309414663 491148972 /nfs/dbraw/zinc/14/89/72/491148972.db2.gz YNWKTOZLCLIBRO-ZYHUDNBSSA-N 1 0 240.372 2.294 10 0 BEAERO C[C@@H]1CSCC[N@@H+]1[C@@H]1CCCCCC1=O ZINC000069761250 360408846 /nfs/dbraw/zinc/40/88/46/360408846.db2.gz PTDABVQXBKVNPG-GHMZBOCLSA-N 1 0 227.373 2.326 10 0 BEAERO C[NH2+][C@H]1CC[C@@H](c2cc(OC)ns2)C1 ZINC000306542064 360412519 /nfs/dbraw/zinc/41/25/19/360412519.db2.gz QKMQXRGWXVKNLT-SFYZADRCSA-N 1 0 212.318 2.007 10 0 BEAERO C[C@@H](c1cccs1)n1cnc(C[NH3+])c1 ZINC000300735729 360423365 /nfs/dbraw/zinc/42/33/65/360423365.db2.gz LCGFNHWUWKGGJJ-QMMMGPOBSA-N 1 0 207.302 2.013 10 0 BEAERO CC(C)([NH3+])C[C@H](F)c1cncc(F)c1 ZINC000306558916 360432466 /nfs/dbraw/zinc/43/24/66/360432466.db2.gz KXXXFNFNJPSGNS-VIFPVBQESA-N 1 0 200.232 2.359 10 0 BEAERO C[C@@H]1CC[N@H+](Cc2ccnc(Cl)n2)[C@H]1C ZINC000306558713 360432922 /nfs/dbraw/zinc/43/29/22/360432922.db2.gz PPHMVVVDNYLLFZ-BDAKNGLRSA-N 1 0 225.723 2.360 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000306559609 360433975 /nfs/dbraw/zinc/43/39/75/360433975.db2.gz QRZCVEKSIAXVKW-HZGVNTEJSA-N 1 0 201.191 2.309 10 0 BEAERO [NH3+][C@@H]1CC[C@H]1c1cc(F)c(F)c(F)c1 ZINC000306559610 360434001 /nfs/dbraw/zinc/43/40/01/360434001.db2.gz QRZCVEKSIAXVKW-IMTBSYHQSA-N 1 0 201.191 2.309 10 0 BEAERO Cc1csc(C[C@]2([NH3+])CC=CCC2)n1 ZINC000306586099 360485241 /nfs/dbraw/zinc/48/52/41/360485241.db2.gz RBJTVXLASYUTQT-NSHDSACASA-N 1 0 208.330 2.432 10 0 BEAERO c1ccc(S[C@H]2CCC[NH2+]CC2)nc1 ZINC000300777192 360490517 /nfs/dbraw/zinc/49/05/17/360490517.db2.gz AXUTYSQFTJNXKY-JTQLQIEISA-N 1 0 208.330 2.316 10 0 BEAERO [NH3+][C@@H]1CCC[C@@](F)(c2ccns2)C1 ZINC000306589359 360494014 /nfs/dbraw/zinc/49/40/14/360494014.db2.gz UGQAKBYXBIBTPW-APPZFPTMSA-N 1 0 200.282 2.209 10 0 BEAERO C[C@@](O)(C[NH3+])c1c(Cl)cccc1Cl ZINC000306577806 360466053 /nfs/dbraw/zinc/46/60/53/360466053.db2.gz LRIVMWAMUREXLQ-SECBINFHSA-N 1 0 220.099 2.160 10 0 BEAERO CC1(C)[C@@H]([NH3+])[C@H]1c1occc1Br ZINC000300783138 360502735 /nfs/dbraw/zinc/50/27/35/360502735.db2.gz VSBLRHNQQWOQKM-SVRRBLITSA-N 1 0 230.105 2.493 10 0 BEAERO C[NH2+]CCC#Cc1ccc2ncccc2c1 ZINC000238328329 360874688 /nfs/dbraw/zinc/87/46/88/360874688.db2.gz VQMUSCRFNNAWPQ-UHFFFAOYSA-N 1 0 210.280 2.196 10 0 BEAERO NC(=S)CCC[N@@H+]1CCc2sccc2C1 ZINC000019476681 181314989 /nfs/dbraw/zinc/31/49/89/181314989.db2.gz HNAOXQWENACUST-UHFFFAOYSA-N 1 0 240.397 2.173 10 0 BEAERO [NH3+][C@H]1CCC[S@](=O)c2c(Cl)cccc21 ZINC000040973848 360983279 /nfs/dbraw/zinc/98/32/79/360983279.db2.gz BASJHFHBNVWQNC-LKFCYVNXSA-N 1 0 229.732 2.241 10 0 BEAERO COc1c(C[NH3+])cccc1OC(F)(F)F ZINC000238382723 360987795 /nfs/dbraw/zinc/98/77/95/360987795.db2.gz TUYZDOJTZPDVGQ-UHFFFAOYSA-N 1 0 221.178 2.053 10 0 BEAERO NC(=S)c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000049716170 181321910 /nfs/dbraw/zinc/32/19/10/181321910.db2.gz LGUGEIBZUCONIO-CMPLNLGQSA-N 1 0 246.379 2.305 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000309666636 491154132 /nfs/dbraw/zinc/15/41/32/491154132.db2.gz ICQWCLWYXYEVAE-STQMWFEESA-N 1 0 221.348 2.216 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccn(C)c1 ZINC000306613534 361086116 /nfs/dbraw/zinc/08/61/16/361086116.db2.gz KQDUDRLQLKYZMP-MWLCHTKSSA-N 1 0 210.346 2.181 10 0 BEAERO [NH3+]C1(C(=O)N2C[C@H]3CCCCC[C@H]32)CCCC1 ZINC000368396565 181323696 /nfs/dbraw/zinc/32/36/96/181323696.db2.gz DTQZMGPBTWRYNC-VXGBXAGGSA-N 1 0 236.359 2.049 10 0 BEAERO [NH3+]Cc1nc(OC(F)(F)F)ccc1Cl ZINC000238594552 361161022 /nfs/dbraw/zinc/16/10/22/361161022.db2.gz SZLLZKZKOPXNAR-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Cc1cnccc1[C@H]([NH3+])CC(F)(F)F ZINC000238545845 361146439 /nfs/dbraw/zinc/14/64/39/361146439.db2.gz WWPLYCJYYJICIA-MRVPVSSYSA-N 1 0 204.195 2.342 10 0 BEAERO Cc1nc(-c2ccoc2Cl)oc1C[NH3+] ZINC000306618201 361193405 /nfs/dbraw/zinc/19/34/05/361193405.db2.gz RXHSPYAHEMMYAO-UHFFFAOYSA-N 1 0 212.636 2.355 10 0 BEAERO C[NH2+][C@@H](c1nc2c(s1)CCC2)C1CC1 ZINC000041060843 361241660 /nfs/dbraw/zinc/24/16/60/361241660.db2.gz GOWQHPDSKKGIBP-SNVBAGLBSA-N 1 0 208.330 2.302 10 0 BEAERO [NH3+]C1(C(=O)OC2CCCC2)CCCCC1 ZINC000048632215 181329071 /nfs/dbraw/zinc/32/90/71/181329071.db2.gz QLGZDGPFLPQOSE-UHFFFAOYSA-N 1 0 211.305 2.134 10 0 BEAERO Cc1cc(CC(=O)[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000306635909 361383796 /nfs/dbraw/zinc/38/37/96/361383796.db2.gz ANTUWIJQMUQLSE-MNOVXSKESA-N 1 0 223.341 2.296 10 0 BEAERO [NH3+]C1(c2nc3ccc(F)cc3s2)CC1 ZINC000082944238 181334623 /nfs/dbraw/zinc/33/46/23/181334623.db2.gz UNSYYHXMBBJBLX-UHFFFAOYSA-N 1 0 208.261 2.383 10 0 BEAERO C[C@H]1CCC[C@@H](CCN2CCC(=O)C2)C1 ZINC000070532645 361531717 /nfs/dbraw/zinc/53/17/17/361531717.db2.gz MYQNFOKMYVROSQ-RYUDHWBXSA-N 1 0 209.333 2.478 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CC)C1CCC1 ZINC000434543304 201227071 /nfs/dbraw/zinc/22/70/71/201227071.db2.gz QEJRVMCWECUPAQ-CYBMUJFWSA-N 1 0 229.364 2.038 10 0 BEAERO [NH2+]=C1N[C@H](C2CCCC2)Nc2ccccc21 ZINC000013493534 181339070 /nfs/dbraw/zinc/33/90/70/181339070.db2.gz CODFUQOUEHCCNF-CYBMUJFWSA-N 1 0 215.300 2.334 10 0 BEAERO [NH3+]C1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000037626108 181340280 /nfs/dbraw/zinc/34/02/80/181340280.db2.gz YOMUAKMURWIXLV-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO [NH2+]=C1N[C@@H](c2nccs2)Cc2ccccc21 ZINC000003959796 181339249 /nfs/dbraw/zinc/33/92/49/181339249.db2.gz RDKMXFCWQURSLL-SNVBAGLBSA-N 1 0 229.308 2.146 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)C1(C)CCCC1 ZINC000434490591 201223394 /nfs/dbraw/zinc/22/33/94/201223394.db2.gz DOPLUOPSAFDEKO-CYBMUJFWSA-N 1 0 243.391 2.429 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])c1ccncc1Br ZINC000306637883 361585555 /nfs/dbraw/zinc/58/55/55/361585555.db2.gz MPNVPPYKUXDUTH-MUWHJKNJSA-N 1 0 227.105 2.038 10 0 BEAERO C[C@@H](Sc1ccc(Cl)cn1)C(N)=[NH2+] ZINC000070615008 361629487 /nfs/dbraw/zinc/62/94/87/361629487.db2.gz BQUVTBBZYOVUFC-RXMQYKEDSA-N 1 0 215.709 2.152 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000153781148 201250995 /nfs/dbraw/zinc/25/09/95/201250995.db2.gz YGEIZISVEKTMMO-FVCCEPFGSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]([NH2+]Cc1cn[nH]c1)c1cccs1 ZINC000038005771 361639087 /nfs/dbraw/zinc/63/90/87/361639087.db2.gz DISHWHJUHABMMA-MRVPVSSYSA-N 1 0 207.302 2.322 10 0 BEAERO [NH3+]C1CCC(C(=O)OC2CCCCC2)CC1 ZINC000048632170 181341130 /nfs/dbraw/zinc/34/11/30/181341130.db2.gz QVKGCSIBSHKJNI-UHFFFAOYSA-N 1 0 225.332 2.380 10 0 BEAERO [NH3+]C1CCC(CC(=O)NC2CCCCC2)CC1 ZINC000055091718 181341141 /nfs/dbraw/zinc/34/11/41/181341141.db2.gz RQOVOQHFUIABIP-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO CCCOc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038006037 361661554 /nfs/dbraw/zinc/66/15/54/361661554.db2.gz USJPFCRYMQOJCQ-UHFFFAOYSA-N 1 0 245.326 2.488 10 0 BEAERO C[C@@H](CCc1ccco1)[NH2+]Cc1cn[nH]c1 ZINC000038006152 361661569 /nfs/dbraw/zinc/66/15/69/361661569.db2.gz LONLZXSBWURFFH-JTQLQIEISA-N 1 0 219.288 2.114 10 0 BEAERO [NH3+]C[C@H]1CCO[C@H]1c1ccccc1Cl ZINC000070627258 361680388 /nfs/dbraw/zinc/68/03/88/361680388.db2.gz SFVHTKDCMAAJFU-LDYMZIIASA-N 1 0 211.692 2.376 10 0 BEAERO Cc1cc([C@H]2OCC[C@H]2C[NH3+])c(C)s1 ZINC000070627215 361680708 /nfs/dbraw/zinc/68/07/08/361680708.db2.gz PVXDWXSBBYRLKU-ONGXEEELSA-N 1 0 211.330 2.401 10 0 BEAERO CCc1ccc([C@H]2OCC[C@H]2C[NH3+])s1 ZINC000070627227 361680888 /nfs/dbraw/zinc/68/08/88/361680888.db2.gz JUINODXZCFSOSX-KWQFWETISA-N 1 0 211.330 2.347 10 0 BEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1nc2ccccc2o1 ZINC000040750592 181344676 /nfs/dbraw/zinc/34/46/76/181344676.db2.gz KIFLTHXFSXXACI-FGWVZKOKSA-N 1 0 243.310 2.286 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cn1 ZINC000156011222 201380675 /nfs/dbraw/zinc/38/06/75/201380675.db2.gz KYUGZYYKLVFHBF-KGLIPLIRSA-N 1 0 234.343 2.031 10 0 BEAERO CC1CC[NH+](Cc2ccc(C=O)o2)CC1 ZINC000161262032 363865770 /nfs/dbraw/zinc/86/57/70/363865770.db2.gz WQKQLUISOVATOD-UHFFFAOYSA-N 1 0 207.273 2.324 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)c(C)s1 ZINC000630525804 364209345 /nfs/dbraw/zinc/20/93/45/364209345.db2.gz MINDEXVPCLHPGO-VHSXEESVSA-N 1 0 225.361 2.312 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630532153 364220669 /nfs/dbraw/zinc/22/06/69/364220669.db2.gz FFGGYUHUBBFUKH-CMPLNLGQSA-N 1 0 248.374 2.461 10 0 BEAERO C[C@@H]1CC[C@H](Nc2cnc3ccccc3n2)C[NH2+]1 ZINC000630532119 364220700 /nfs/dbraw/zinc/22/07/00/364220700.db2.gz FVDWJVLYODVFAM-MNOVXSKESA-N 1 0 242.326 2.182 10 0 BEAERO Cc1cccc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630549610 364243752 /nfs/dbraw/zinc/24/37/52/364243752.db2.gz LVRKUSJHGXYPFW-GFCCVEGCSA-N 1 0 219.332 2.098 10 0 BEAERO [NH3+][C@H]1CCCCCN(c2nc3ccccc3[nH]2)C1 ZINC000630550500 364244247 /nfs/dbraw/zinc/24/42/47/364244247.db2.gz ROVZVPPGNVOLOE-NSHDSACASA-N 1 0 244.342 2.271 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncncc2Cl)CC1 ZINC000630558498 364258912 /nfs/dbraw/zinc/25/89/12/364258912.db2.gz NKMWIGGDCDZZGZ-KYZUINATSA-N 1 0 240.738 2.059 10 0 BEAERO C[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1C[NH3+] ZINC000630569900 364264391 /nfs/dbraw/zinc/26/43/91/364264391.db2.gz KHRGEUAJCSIVIG-RYUDHWBXSA-N 1 0 241.338 2.266 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ncc(Cl)cc2F)C[NH2+]1 ZINC000630535003 364229732 /nfs/dbraw/zinc/22/97/32/364229732.db2.gz SDLMQHCDOLSTNJ-APPZFPTMSA-N 1 0 243.713 2.427 10 0 BEAERO [NH3+]CC1(OCCOc2ccccc2)CCCC1 ZINC000050496174 181361276 /nfs/dbraw/zinc/36/12/76/181361276.db2.gz QLVANZKXLNSTMW-UHFFFAOYSA-N 1 0 235.327 2.354 10 0 BEAERO [NH3+]CC1(Sc2ccccc2)CCOCC1 ZINC000083501414 181361290 /nfs/dbraw/zinc/36/12/90/181361290.db2.gz VTZMLSKCTQJSJM-UHFFFAOYSA-N 1 0 223.341 2.287 10 0 BEAERO [NH3+]CC1(OCC2CCOCC2)CCCCC1 ZINC000052150930 181361657 /nfs/dbraw/zinc/36/16/57/181361657.db2.gz YRTQQVYCRPUDNS-UHFFFAOYSA-N 1 0 227.348 2.091 10 0 BEAERO [NH3+]CC1(c2ccc3scnc3c2)CC1 ZINC000082593203 181362674 /nfs/dbraw/zinc/36/26/74/181362674.db2.gz WARIBECDMAHXDT-UHFFFAOYSA-N 1 0 204.298 2.287 10 0 BEAERO [NH3+]CC1(c2ccc(F)cc2Cl)CCOCC1 ZINC000062606987 181362806 /nfs/dbraw/zinc/36/28/06/181362806.db2.gz YYMPQHVVJARORX-UHFFFAOYSA-N 1 0 243.709 2.486 10 0 BEAERO Cc1cnc(C(C)(C)[NH2+][C@H]2CCOC2)s1 ZINC000134276767 364397190 /nfs/dbraw/zinc/39/71/90/364397190.db2.gz RUWTZENVAHGURM-VIFPVBQESA-N 1 0 226.345 2.065 10 0 BEAERO [NH3+]CC1(c2nc3ccc(F)cc3s2)CC1 ZINC000083037887 181364103 /nfs/dbraw/zinc/36/41/03/181364103.db2.gz SJFQEEUMUMUBNJ-UHFFFAOYSA-N 1 0 222.288 2.426 10 0 BEAERO [NH3+]CC1CCC(Oc2ccc3n[nH]cc3c2)CC1 ZINC000089196715 181364138 /nfs/dbraw/zinc/36/41/38/181364138.db2.gz USAQGCYDLLRNDK-UHFFFAOYSA-N 1 0 245.326 2.459 10 0 BEAERO [NH3+]CC1(c2ccnc(C(F)(F)F)c2)CC1 ZINC000095761254 181364261 /nfs/dbraw/zinc/36/42/61/181364261.db2.gz ZWOAVYNXLBRVOG-UHFFFAOYSA-N 1 0 216.206 2.091 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000309491557 541364179 /nfs/dbraw/zinc/36/41/79/541364179.db2.gz ZYXBZTVZNAPELT-NSHDSACASA-N 1 0 227.348 2.483 10 0 BEAERO CC[C@H](C)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246447770 364594969 /nfs/dbraw/zinc/59/49/69/364594969.db2.gz IJUIYGPNACQYFV-RWMBFGLXSA-N 1 0 210.365 2.201 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000248198218 364627936 /nfs/dbraw/zinc/62/79/36/364627936.db2.gz XTWRIQZCXFBVQZ-TVYUQYBPSA-N 1 0 205.301 2.033 10 0 BEAERO [NH3+]CCC(=O)c1cc2cc(F)ccc2o1 ZINC000082933604 181370157 /nfs/dbraw/zinc/37/01/57/181370157.db2.gz UMYWMCBNURWPCR-UHFFFAOYSA-N 1 0 207.204 2.103 10 0 BEAERO CC1CCC(CN2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000299922716 364821596 /nfs/dbraw/zinc/82/15/96/364821596.db2.gz UGGGXFLDQWDKHS-PFSRBDOWSA-N 1 0 236.403 2.497 10 0 BEAERO [NH3+]CCCCc1nc2c(s1)CCCC2 ZINC000011887678 181378933 /nfs/dbraw/zinc/37/89/33/181378933.db2.gz RFOAEEOJKHMGGV-UHFFFAOYSA-N 1 0 210.346 2.303 10 0 BEAERO [NH3+]CCCN(Cc1cccnc1)c1ccccc1 ZINC000020236868 181380360 /nfs/dbraw/zinc/38/03/60/181380360.db2.gz JJANQPHJGWCVMO-UHFFFAOYSA-N 1 0 241.338 2.437 10 0 BEAERO [NH3+]CCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037713857 181383215 /nfs/dbraw/zinc/38/32/15/181383215.db2.gz KLFYPKWBHPWBLP-CYBMUJFWSA-N 1 0 222.307 2.215 10 0 BEAERO [NH3+]CCCOCc1ccc(Br)cc1 ZINC000028522080 181384382 /nfs/dbraw/zinc/38/43/82/181384382.db2.gz BYTUJFAEQGBKAH-UHFFFAOYSA-N 1 0 244.132 2.315 10 0 BEAERO [NH3+]CCCOc1ccc(F)cc1Cl ZINC000037859645 181385087 /nfs/dbraw/zinc/38/50/87/181385087.db2.gz UZQFKGUZUYEEQM-UHFFFAOYSA-N 1 0 203.644 2.207 10 0 BEAERO [NH3+]CCC[C@@H](O)c1ccc(Br)cc1 ZINC000019674886 181385515 /nfs/dbraw/zinc/38/55/15/181385515.db2.gz NDQZKYCCZBGHHG-SNVBAGLBSA-N 1 0 244.132 2.221 10 0 BEAERO [NH3+]CCCc1nc(C(F)(F)F)cs1 ZINC000054139411 181387208 /nfs/dbraw/zinc/38/72/08/181387208.db2.gz RMQVWRKGQZPLIS-UHFFFAOYSA-N 1 0 210.224 2.053 10 0 BEAERO [NH3+]CCCc1nc2cc(Cl)ccc2o1 ZINC000034939407 181387427 /nfs/dbraw/zinc/38/74/27/181387427.db2.gz QCZYZRJICYYBMG-UHFFFAOYSA-N 1 0 210.664 2.373 10 0 BEAERO [NH3+]CCCc1ncc(-c2cccs2)o1 ZINC000011587024 181387473 /nfs/dbraw/zinc/38/74/73/181387473.db2.gz LTFQWQRBRHDGNH-UHFFFAOYSA-N 1 0 208.286 2.294 10 0 BEAERO [NH3+]CCCc1nnc(C2CCCCC2)o1 ZINC000011585890 181387996 /nfs/dbraw/zinc/38/79/96/181387996.db2.gz HRKLYTQZOPTZFJ-UHFFFAOYSA-N 1 0 209.293 2.009 10 0 BEAERO [NH3+]CCNC(=O)Nc1c(Cl)cccc1Cl ZINC000028771225 181394595 /nfs/dbraw/zinc/39/45/95/181394595.db2.gz CQTAWTDXTHXCFT-UHFFFAOYSA-N 1 0 248.113 2.074 10 0 BEAERO NCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000037712829 181397009 /nfs/dbraw/zinc/39/70/09/181397009.db2.gz HOBNBQHRZFJZOQ-UHFFFAOYSA-N 1 0 224.735 2.134 10 0 BEAERO [NH3+]CCNCc1cc(-c2ccccc2)cs1 ZINC000038030852 181397631 /nfs/dbraw/zinc/39/76/31/181397631.db2.gz GUQLLIATHJPTIM-UHFFFAOYSA-N 1 0 232.352 2.463 10 0 BEAERO [NH3+]CCNCc1c(Cl)cccc1Cl ZINC000037712562 181397641 /nfs/dbraw/zinc/39/76/41/181397641.db2.gz FERZIKZVHLPOTQ-UHFFFAOYSA-N 1 0 219.115 2.042 10 0 BEAERO [NH3+]CCOCCNc1ccc(C(F)(F)F)cc1 ZINC000104315361 181399146 /nfs/dbraw/zinc/39/91/46/181399146.db2.gz SXYQWDKHCPYZGH-UHFFFAOYSA-N 1 0 248.248 2.093 10 0 BEAERO [NH3+]CCOCCOc1ccc2ccccc2c1 ZINC000020221452 181399533 /nfs/dbraw/zinc/39/95/33/181399533.db2.gz NLBGWBVGQPGYGD-UHFFFAOYSA-N 1 0 231.295 2.194 10 0 BEAERO [NH3+]CCOCc1cccc2ccccc21 ZINC000051864452 181399610 /nfs/dbraw/zinc/39/96/10/181399610.db2.gz DIBWTBPASUFKNN-UHFFFAOYSA-N 1 0 201.269 2.315 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000442869251 192997869 /nfs/dbraw/zinc/99/78/69/192997869.db2.gz PCSWQWSLIIXSKS-MDZLAQPJSA-N 1 0 238.375 2.212 10 0 BEAERO [NH3+]CC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000083557783 181408200 /nfs/dbraw/zinc/40/82/00/181408200.db2.gz LYFUIXHKEAPARI-VIFPVBQESA-N 1 0 219.206 2.088 10 0 BEAERO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC000171236898 365182145 /nfs/dbraw/zinc/18/21/45/365182145.db2.gz YBEMJUYJDZEYKC-BJDJZHNGSA-N 1 0 238.375 2.162 10 0 BEAERO [NH3+]CCc1c2ccccc2n2c1CCCC2 ZINC000082370831 181411087 /nfs/dbraw/zinc/41/10/87/181411087.db2.gz RDWWHJCUIKCOGE-UHFFFAOYSA-N 1 0 214.312 2.479 10 0 BEAERO [NH3+]CCc1ccc(NC(=O)c2ccco2)cc1 ZINC000020224397 181412064 /nfs/dbraw/zinc/41/20/64/181412064.db2.gz DPGINLGFKVWVTO-UHFFFAOYSA-N 1 0 230.267 2.033 10 0 BEAERO [NH3+]CCc1ccccc1OCCc1ccncc1 ZINC000037720419 181412830 /nfs/dbraw/zinc/41/28/30/181412830.db2.gz MFLCXOBCQVXASC-UHFFFAOYSA-N 1 0 242.322 2.204 10 0 BEAERO [NH3+]CCc1cnc(C(F)(F)F)c(Cl)c1 ZINC000095768351 181412850 /nfs/dbraw/zinc/41/28/50/181412850.db2.gz BYISRYRGWYSXAE-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]CCc1nc2cc(Br)ccc2o1 ZINC000033420190 181413652 /nfs/dbraw/zinc/41/36/52/181413652.db2.gz BECKDSJGLBGHFZ-UHFFFAOYSA-N 1 0 241.088 2.092 10 0 BEAERO [NH3+]C[C@@H](O)c1cccc2c1Cc1ccccc1-2 ZINC000029333109 181423403 /nfs/dbraw/zinc/42/34/03/181423403.db2.gz MJNJYFSROOMEID-OAHLLOKOSA-N 1 0 225.291 2.250 10 0 BEAERO [NH3+]C[C@@H](c1cccc(F)c1)C(F)(F)F ZINC000082719054 181425506 /nfs/dbraw/zinc/42/55/06/181425506.db2.gz CSWXYMAYECWDCM-QMMMGPOBSA-N 1 0 207.170 2.430 10 0 BEAERO [NH3+]C[C@@H](c1ccncc1)N1CCc2ccccc21 ZINC000032026994 181425800 /nfs/dbraw/zinc/42/58/00/181425800.db2.gz QURLHWBHJIWYNK-HNNXBMFYSA-N 1 0 239.322 2.144 10 0 BEAERO [NH3+]CCc1cc(F)cc(C(F)(F)F)c1 ZINC000044248586 181411657 /nfs/dbraw/zinc/41/16/57/181411657.db2.gz QLDSXXKKKMQRKB-UHFFFAOYSA-N 1 0 207.170 2.346 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173809124 365448621 /nfs/dbraw/zinc/44/86/21/365448621.db2.gz OOEVLCLTJMIMDS-STQMWFEESA-N 1 0 248.374 2.371 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000576173408 365510448 /nfs/dbraw/zinc/51/04/48/365510448.db2.gz OXLMXPRGCMSYKV-VXGBXAGGSA-N 1 0 208.349 2.003 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])c1nnc(C2CCC2)[nH]1 ZINC000675060560 541464252 /nfs/dbraw/zinc/46/42/52/541464252.db2.gz IZHSMQHCNSEJSC-APPZFPTMSA-N 1 0 208.309 2.118 10 0 BEAERO C[C@@H]([NH3+])[C@@H]1COc2ccc(Cl)cc2C1 ZINC000675063795 541465079 /nfs/dbraw/zinc/46/50/79/541465079.db2.gz PACYWYCIUTWDAK-APPZFPTMSA-N 1 0 211.692 2.238 10 0 BEAERO C[C@H]([NH3+])[C@H]1COc2c(Cl)cccc2C1 ZINC000675063746 541465764 /nfs/dbraw/zinc/46/57/64/541465764.db2.gz NDCRIQUYSLUTOK-IONNQARKSA-N 1 0 211.692 2.238 10 0 BEAERO CC(C)(C)c1ccc2[nH]c(=O)c(C[NH3+])cc2c1 ZINC000011980174 541481996 /nfs/dbraw/zinc/48/19/96/541481996.db2.gz AOZAQOMIUGLIND-UHFFFAOYSA-N 1 0 230.311 2.284 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000380376294 367195076 /nfs/dbraw/zinc/19/50/76/367195076.db2.gz IKFWATXFPWELRU-CHWSQXEVSA-N 1 0 243.391 2.284 10 0 BEAERO COC[C@H](C)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000381487707 367418225 /nfs/dbraw/zinc/41/82/25/367418225.db2.gz VZMZNBNUARSEME-IJLUTSLNSA-N 1 0 229.364 2.062 10 0 BEAERO Cc1noc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382185566 367494728 /nfs/dbraw/zinc/49/47/28/367494728.db2.gz BPLVOZODKDPKHV-APHKKCJPSA-N 1 0 221.304 2.217 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncnc3sccc32)C1 ZINC000382457362 367526801 /nfs/dbraw/zinc/52/68/01/367526801.db2.gz RTMUUONIFDXHGU-BDAKNGLRSA-N 1 0 248.355 2.231 10 0 BEAERO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCO[C@@H]1C ZINC000382339162 367509309 /nfs/dbraw/zinc/50/93/09/367509309.db2.gz YZMXSGVWFCBFCZ-DJLDLDEBSA-N 1 0 225.254 2.484 10 0 BEAERO CCC1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000384267142 367680489 /nfs/dbraw/zinc/68/04/89/367680489.db2.gz QQXNKRWNYBJEEZ-NEPJUHHUSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC1CCCCC1 ZINC000384869460 367747982 /nfs/dbraw/zinc/74/79/82/367747982.db2.gz OMJZOTIKGOBUJZ-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H](N(C)C(=O)C[C@@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000385411324 367826485 /nfs/dbraw/zinc/82/64/85/367826485.db2.gz UVOYIOQRWSKNQU-NEPJUHHUSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](CO)S[C@H]1CCCC(C)(C)[C@H]1[NH3+] ZINC000252778502 368062787 /nfs/dbraw/zinc/06/27/87/368062787.db2.gz ZNMLDGHSIQBJHV-UTLUCORTSA-N 1 0 217.378 2.006 10 0 BEAERO Cc1cnc(N[C@H](C[NH3+])C2CCCCC2)nc1C ZINC000386712510 368011980 /nfs/dbraw/zinc/01/19/80/368011980.db2.gz XLOZPXWEDOTEPG-CYBMUJFWSA-N 1 0 248.374 2.413 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(Br)cn1 ZINC000252852933 368163208 /nfs/dbraw/zinc/16/32/08/368163208.db2.gz GKJJDCZMJQUJAJ-CNUIFLNQSA-N 1 0 241.132 2.295 10 0 BEAERO CC[NH2+][C@H](C)CNc1ccc2ccccc2n1 ZINC000387477629 368227068 /nfs/dbraw/zinc/22/70/68/368227068.db2.gz VCQCOBDYWHSVOR-LLVKDONJSA-N 1 0 229.327 2.067 10 0 BEAERO O[C@@H](CC[NH2+]Cc1ccccc1)C(F)(F)F ZINC000039187147 368273542 /nfs/dbraw/zinc/27/35/42/368273542.db2.gz GIQBAHQQZDRWHC-JTQLQIEISA-N 1 0 233.233 2.090 10 0 BEAERO CC(C)COC[C@@H](O)C[NH2+]CC1(C)CCCC1 ZINC000104438777 368298308 /nfs/dbraw/zinc/29/83/08/368298308.db2.gz JGBBGRZTAFBCOD-ZDUSSCGKSA-N 1 0 243.391 2.190 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccccc1F ZINC000054929288 368305704 /nfs/dbraw/zinc/30/57/04/368305704.db2.gz KHBQVDWFUZSSNJ-VXGBXAGGSA-N 1 0 211.280 2.233 10 0 BEAERO C[NH+](C)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000224892025 368367900 /nfs/dbraw/zinc/36/79/00/368367900.db2.gz YBKBOXXUWCPULQ-UHFFFAOYSA-N 1 0 244.678 2.189 10 0 BEAERO CCCOc1cc2c(cc1OC)CCN=C2 ZINC000230490568 368369864 /nfs/dbraw/zinc/36/98/64/368369864.db2.gz RGJQDCJRMZQJHC-UHFFFAOYSA-N 1 0 219.284 2.459 10 0 BEAERO O[C@H]1CC[C@@H]2CC[C@H]1[N@@H+]2Cc1ccccc1 ZINC000039075990 368329380 /nfs/dbraw/zinc/32/93/80/368329380.db2.gz FHKHUCUXDIOPGQ-MJBXVCDLSA-N 1 0 217.312 2.174 10 0 BEAERO CNc1cc(Oc2ccc(O)c(N)c2)cc[nH+]1 ZINC000140996537 368345055 /nfs/dbraw/zinc/34/50/55/368345055.db2.gz SZYBPCRDGYMGPG-UHFFFAOYSA-N 1 0 231.255 2.203 10 0 BEAERO CN1CC[C@@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000101397915 368383450 /nfs/dbraw/zinc/38/34/50/368383450.db2.gz ZIENPKRHFNGHTN-CMPLNLGQSA-N 1 0 224.735 2.292 10 0 BEAERO CN1CC[C@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000101397922 368384234 /nfs/dbraw/zinc/38/42/34/368384234.db2.gz ZIENPKRHFNGHTN-ZYHUDNBSSA-N 1 0 224.735 2.292 10 0 BEAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+]([C@H]2CCCC2=O)C1 ZINC000253104081 368491544 /nfs/dbraw/zinc/49/15/44/368491544.db2.gz SELCBMTWZPYEHH-KXNHARMFSA-N 1 0 209.333 2.474 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000253167429 368581458 /nfs/dbraw/zinc/58/14/58/368581458.db2.gz WPLCBYYLSBLOPJ-WISYIIOYSA-N 1 0 209.333 2.237 10 0 BEAERO C[C@H]([C@@H]1COc2ccccc2O1)[NH+]1CCCC1 ZINC000001843856 368708192 /nfs/dbraw/zinc/70/81/92/368708192.db2.gz KAXULGXUSBBIMN-RISCZKNCSA-N 1 0 233.311 2.311 10 0 BEAERO C[NH+](C)CC[C@@H](O)c1cc(-c2ccccc2)no1 ZINC000002029655 368740302 /nfs/dbraw/zinc/74/03/02/368740302.db2.gz KWJLXLLJFQTXHJ-CYBMUJFWSA-N 1 0 246.310 2.327 10 0 BEAERO C[NH2+][C@@H](Cc1cccc(C)c1)[C@H]1CCCO1 ZINC000083713265 368807963 /nfs/dbraw/zinc/80/79/63/368807963.db2.gz VILPWTPEIBBXHY-UONOGXRCSA-N 1 0 219.328 2.305 10 0 BEAERO Cc1ccc2cc(O[C@@H]3CC[NH2+]C3)ccc2n1 ZINC000035090187 368846557 /nfs/dbraw/zinc/84/65/57/368846557.db2.gz RHAYATFTSQPASW-CYBMUJFWSA-N 1 0 228.295 2.284 10 0 BEAERO C[NH+]1CCC([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000003621401 368875775 /nfs/dbraw/zinc/87/57/75/368875775.db2.gz FLNPMFIPMFSRQX-CABCVRRESA-N 1 0 231.339 2.234 10 0 BEAERO C[NH+](C)CCOc1cc(N)cc(C(F)(F)F)c1 ZINC000114063340 368919554 /nfs/dbraw/zinc/91/95/54/368919554.db2.gz UFTCFHSUULJWFB-UHFFFAOYSA-N 1 0 248.248 2.228 10 0 BEAERO CCc1nnc(C[NH2+][C@H](C)C(C)(C)C)o1 ZINC000114474472 368941380 /nfs/dbraw/zinc/94/13/80/368941380.db2.gz JLHDJGZZIYNSSJ-MRVPVSSYSA-N 1 0 211.309 2.156 10 0 BEAERO [NH3+]C[C@@H]1C[C@H](c2ccccc2)CCC1=O ZINC000098095978 181438799 /nfs/dbraw/zinc/43/87/99/181438799.db2.gz DOTRQWHUCQMNQH-NEPJUHHUSA-N 1 0 203.285 2.098 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2ccc(CO)cc2)C1 ZINC000616602136 369100384 /nfs/dbraw/zinc/10/03/84/369100384.db2.gz HEJJIENNFUKQFJ-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO [NH3+]C[C@@]1(Cc2ccc(F)cc2)CCCOC1 ZINC000062193153 181441778 /nfs/dbraw/zinc/44/17/78/181441778.db2.gz NYXWCRYIFJVZIO-ZDUSSCGKSA-N 1 0 223.291 2.124 10 0 BEAERO [NH3+]C[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000073734359 181454720 /nfs/dbraw/zinc/45/47/20/181454720.db2.gz VPURFUWIEYPVIL-HUUCEWRRSA-N 1 0 227.307 2.463 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1SC1CCOCC1 ZINC000062055170 181458817 /nfs/dbraw/zinc/45/88/17/181458817.db2.gz PVLJIJOWVBJEQB-ZYHUDNBSSA-N 1 0 229.389 2.416 10 0 BEAERO [NH3+]Cc1cc(COc2ccc(Cl)cc2)on1 ZINC000052665088 181475311 /nfs/dbraw/zinc/47/53/11/181475311.db2.gz VYNSPBJHQBTMNC-UHFFFAOYSA-N 1 0 238.674 2.366 10 0 BEAERO CC[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000106883614 369214278 /nfs/dbraw/zinc/21/42/78/369214278.db2.gz NHMGBJCEJUELRX-NSHDSACASA-N 1 0 204.317 2.034 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)C1 ZINC000164760460 203377589 /nfs/dbraw/zinc/37/75/89/203377589.db2.gz ZXWYRDYLQXZLNY-FVCCEPFGSA-N 1 0 211.349 2.316 10 0 BEAERO [NH3+]Cc1ccnc(Oc2cccc(F)c2)c1 ZINC000022170684 181491007 /nfs/dbraw/zinc/49/10/07/181491007.db2.gz FCQFGNYQBCVQPF-UHFFFAOYSA-N 1 0 218.231 2.472 10 0 BEAERO C[C@@H]([NH2+]Cc1cncc(Cl)c1)[C@H]1CCCO1 ZINC000621277312 370208106 /nfs/dbraw/zinc/20/81/06/370208106.db2.gz GWBHHIPNVUBFAQ-BXKDBHETSA-N 1 0 240.734 2.392 10 0 BEAERO CCCC1(C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1 ZINC000310338087 370335334 /nfs/dbraw/zinc/33/53/34/370335334.db2.gz CBFUJMKHLLYEAZ-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO CC1(C)[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@H]2CCO[C@@H]21 ZINC000621734635 370491959 /nfs/dbraw/zinc/49/19/59/370491959.db2.gz RHFRJDTYYSVHHN-DBIOUOCHSA-N 1 0 245.313 2.435 10 0 BEAERO CC[C@H]1CS[C@H](c2nccs2)N1 ZINC000161614064 370605041 /nfs/dbraw/zinc/60/50/41/370605041.db2.gz PQLBZDSSTTXUDA-POYBYMJQSA-N 1 0 200.332 2.257 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CCOCC1CCCC1 ZINC000313254618 370574289 /nfs/dbraw/zinc/57/42/89/370574289.db2.gz QFGFRVDQMIWVLT-CYBMUJFWSA-N 1 0 243.391 2.190 10 0 BEAERO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2CO)C1 ZINC000378679207 371015330 /nfs/dbraw/zinc/01/53/30/371015330.db2.gz TWTOOZBNXFLJLU-ZDEQEGDKSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)c1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623763781 371086074 /nfs/dbraw/zinc/08/60/74/371086074.db2.gz OYIUJBPHHQTZIP-LSDHHAIUSA-N 1 0 249.354 2.049 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000389961604 371183915 /nfs/dbraw/zinc/18/39/15/371183915.db2.gz WAZLYDKAASZLKO-ZYHUDNBSSA-N 1 0 207.321 2.468 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)C1CCCCCC1 ZINC000053715572 181573503 /nfs/dbraw/zinc/57/35/03/181573503.db2.gz SBMAJXOTDINNBS-OLZOCXBDSA-N 1 0 238.375 2.343 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1 ZINC000019273122 181574358 /nfs/dbraw/zinc/57/43/58/181574358.db2.gz IOIVLHZNPOACPZ-NEPJUHHUSA-N 1 0 209.264 2.474 10 0 BEAERO [NH3+][C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000070460111 181579255 /nfs/dbraw/zinc/57/92/55/181579255.db2.gz FXJHEPSVKMCFDN-GFCCVEGCSA-N 1 0 242.326 2.004 10 0 BEAERO CCCC[N@H+](CC)[C@H](CN)CC(C)C ZINC000019280600 168802505 /nfs/dbraw/zinc/80/25/05/168802505.db2.gz OIXLNVHAQSJOGZ-LBPRGKRZSA-N 1 0 200.370 2.482 10 0 BEAERO [NH3+][C@H](CC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000049716770 181610631 /nfs/dbraw/zinc/61/06/31/181610631.db2.gz ZYVBJDLDOBBLJV-IACUBPJLSA-N 1 0 244.338 2.087 10 0 BEAERO [NH3+][C@H](Cn1cccn1)c1cc2ccccc2o1 ZINC000019398117 181628616 /nfs/dbraw/zinc/62/86/16/181628616.db2.gz QDYBQNNWZFMSLE-LLVKDONJSA-N 1 0 227.267 2.329 10 0 BEAERO CCCC[N@H+](CC)[C@@H](CN)CC(C)C ZINC000019280598 168802711 /nfs/dbraw/zinc/80/27/11/168802711.db2.gz OIXLNVHAQSJOGZ-GFCCVEGCSA-N 1 0 200.370 2.482 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccccc1F ZINC000054685616 181627342 /nfs/dbraw/zinc/62/73/42/181627342.db2.gz PTSPOEKBGCZRTF-HUUCEWRRSA-N 1 0 245.297 2.429 10 0 BEAERO [NH3+][C@@H]1C[C@H](c2ccccc2)Cc2n[nH]cc21 ZINC000072415332 181599162 /nfs/dbraw/zinc/59/91/62/181599162.db2.gz HBEKLUMFPWQVDB-CMPLNLGQSA-N 1 0 213.284 2.140 10 0 BEAERO [NH3+][C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000035679624 181638109 /nfs/dbraw/zinc/63/81/09/181638109.db2.gz OKCYLTHMIGWZCQ-ZETCQYMHSA-N 1 0 245.109 2.057 10 0 BEAERO [NH3+][C@H]1CCC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000001767157 181639891 /nfs/dbraw/zinc/63/98/91/181639891.db2.gz VVTSGBJOOHVOBF-DZGCQCFKSA-N 1 0 240.306 2.118 10 0 BEAERO [NH3+][C@H]1CCN(c2ccc(F)cc2Cl)C1 ZINC000037483306 181651419 /nfs/dbraw/zinc/65/14/19/181651419.db2.gz XJMXLJOKBJPZNA-QMMMGPOBSA-N 1 0 214.671 2.017 10 0 BEAERO Nc1cc([C@H]2CCC[NH2+]C2)ccc1Cl ZINC000075904958 181691348 /nfs/dbraw/zinc/69/13/48/181691348.db2.gz NOORYJLFBUHHTJ-VIFPVBQESA-N 1 0 210.708 2.389 10 0 BEAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624235041 371423193 /nfs/dbraw/zinc/42/31/93/371423193.db2.gz CAXYNGXOAVGCOB-KGLIPLIRSA-N 1 0 243.391 2.187 10 0 BEAERO Nc1ccc(S[C@@H]2CCC[NH2+]C2)cc1 ZINC000043501751 181724843 /nfs/dbraw/zinc/72/48/43/181724843.db2.gz AXEWJSIILFITMK-LLVKDONJSA-N 1 0 208.330 2.113 10 0 BEAERO Nc1c[nH+]ccc1NCc1ccc2c(c1)OCO2 ZINC000019755407 181769290 /nfs/dbraw/zinc/76/92/90/181769290.db2.gz AYEYANAGIIUBGR-UHFFFAOYSA-N 1 0 243.266 2.005 10 0 BEAERO Nc1ccccc1NCC[NH+]1CCCCC1 ZINC000035923807 181756012 /nfs/dbraw/zinc/75/60/12/181756012.db2.gz MNIDKMZFDIYUBL-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO C[NH2+]Cc1cnc(-c2csc(C)n2)s1 ZINC000126770475 371548982 /nfs/dbraw/zinc/54/89/82/371548982.db2.gz CMFGTARWIMTZFI-UHFFFAOYSA-N 1 0 225.342 2.294 10 0 BEAERO F[C@H]([C@@H]1CCC[NH2+]C1)C(F)(F)Br ZINC000225684311 371565425 /nfs/dbraw/zinc/56/54/25/371565425.db2.gz XWVOTDKBUJQUMX-PHDIDXHHSA-N 1 0 246.070 2.312 10 0 BEAERO F[C@@H]([C@@H]1CCC[NH2+]C1)C(F)(F)Br ZINC000225684291 371565654 /nfs/dbraw/zinc/56/56/54/371565654.db2.gz XWVOTDKBUJQUMX-RITPCOANSA-N 1 0 246.070 2.312 10 0 BEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)c2ccco2)C1 ZINC000226467899 371671424 /nfs/dbraw/zinc/67/14/24/371671424.db2.gz YMVMJVGFOHEHMT-SKDRFNHKSA-N 1 0 207.273 2.370 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccccc2CO)CC1 ZINC000215726798 371621315 /nfs/dbraw/zinc/62/13/15/371621315.db2.gz GYKJNDIKXCIYLF-LBPRGKRZSA-N 1 0 219.328 2.378 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](C(=O)Cc2ccsc2)C1 ZINC000226336694 371648741 /nfs/dbraw/zinc/64/87/41/371648741.db2.gz FADAJPAMZNKJNS-MNOVXSKESA-N 1 0 223.341 2.377 10 0 BEAERO Cc1nc(O[C@H]2CCC[C@@H]2[NH3+])sc1C ZINC000131688650 371652048 /nfs/dbraw/zinc/65/20/48/371652048.db2.gz XTGFWEKAYARNIK-IUCAKERBSA-N 1 0 212.318 2.019 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)C1CCC(C)CC1 ZINC000226378620 371657077 /nfs/dbraw/zinc/65/70/77/371657077.db2.gz AOVRSHLGHLZNME-RSJDFQLWSA-N 1 0 209.333 2.237 10 0 BEAERO [NH3+][C@H]1CCc2sc(Br)cc21 ZINC000162529066 371707040 /nfs/dbraw/zinc/70/70/40/371707040.db2.gz ZGHZBGYZJJDUNO-YFKPBYRVSA-N 1 0 218.119 2.457 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])CNCc1ccccc1 ZINC000162653905 371740948 /nfs/dbraw/zinc/74/09/48/371740948.db2.gz JJWWNURPAGGVFU-LBPRGKRZSA-N 1 0 206.333 2.150 10 0 BEAERO C[C@@H]1OCC[C@@H]1[C@@H]([NH3+])Cc1ccsc1 ZINC000226514654 371685156 /nfs/dbraw/zinc/68/51/56/371685156.db2.gz FLMYCVNNBVEKDM-LSJOCFKGSA-N 1 0 211.330 2.043 10 0 BEAERO Nc1[nH]cc(-c2ccc(Br)o2)[nH+]1 ZINC000131871151 371700727 /nfs/dbraw/zinc/70/07/27/371700727.db2.gz SKJBQDGGHGIJSV-UHFFFAOYSA-N 1 0 228.049 2.014 10 0 BEAERO C[NH2+][C@@H](C)C(=O)c1cc2ccccc2o1 ZINC000132141001 371757630 /nfs/dbraw/zinc/75/76/30/371757630.db2.gz IQMHLPGGRACTOE-QMMMGPOBSA-N 1 0 203.241 2.223 10 0 BEAERO Nc1[nH+]ccn1Cc1c(F)cccc1Cl ZINC000037483208 181803334 /nfs/dbraw/zinc/80/33/34/181803334.db2.gz PQVMHRBBQHOHCS-UHFFFAOYSA-N 1 0 225.654 2.306 10 0 BEAERO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)C(C)(C)C ZINC000132579350 371864654 /nfs/dbraw/zinc/86/46/54/371864654.db2.gz LFIWGJYQUSBQSK-ZJUUUORDSA-N 1 0 229.389 2.427 10 0 BEAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230259412 371878316 /nfs/dbraw/zinc/87/83/16/371878316.db2.gz HWEUVCLNXIAYEF-DTWKUNHWSA-N 1 0 214.378 2.029 10 0 BEAERO C[NH2+][C@@H](c1ccsc1C)[C@@H]1CCCO1 ZINC000227792262 371939739 /nfs/dbraw/zinc/93/97/39/371939739.db2.gz FAJQFURLYQRIIA-QWRGUYRKSA-N 1 0 211.330 2.496 10 0 BEAERO C[C@@H]1C[C@@H]2[NH2+]C(C)(C)CS[C@@H]2[C@@H](C)O1 ZINC000227793790 371939778 /nfs/dbraw/zinc/93/97/78/371939778.db2.gz BSOLUVDUNCLHFZ-DOLQZWNJSA-N 1 0 215.362 2.036 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000163017823 371911205 /nfs/dbraw/zinc/91/12/05/371911205.db2.gz NBPWLPKLBGERLA-JTQLQIEISA-N 1 0 245.681 2.432 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000627727945 371916189 /nfs/dbraw/zinc/91/61/89/371916189.db2.gz WMHKZZPDATVEMQ-RYUDHWBXSA-N 1 0 234.343 2.170 10 0 BEAERO Cc1cncc([C@H]([NH3+])c2cccs2)c1 ZINC000227952430 371962603 /nfs/dbraw/zinc/96/26/03/371962603.db2.gz DKVUKWYBRYFLNI-NSHDSACASA-N 1 0 204.298 2.500 10 0 BEAERO CC[N@@H+]1CCc2c(N)c(Cl)sc2C1 ZINC000132999454 371965317 /nfs/dbraw/zinc/96/53/17/371965317.db2.gz ZIDDPBUDROGFMH-UHFFFAOYSA-N 1 0 216.737 2.362 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1sccc1Br ZINC000228015320 371976205 /nfs/dbraw/zinc/97/62/05/371976205.db2.gz SAHHZJLTORDJSN-NJGYIYPDSA-N 1 0 218.119 2.325 10 0 BEAERO CC[NH2+][C@H](C)[C@@H]1SCCS[C@@H]1C ZINC000228131825 371994743 /nfs/dbraw/zinc/99/47/43/371994743.db2.gz HZMKHTZVNRULIO-HLTSFMKQSA-N 1 0 205.392 2.222 10 0 BEAERO Cc1ccc(Br)c(OC2C[NH2+]C2)c1 ZINC000217406454 371949154 /nfs/dbraw/zinc/94/91/54/371949154.db2.gz ZLXVABVRIZGXEK-UHFFFAOYSA-N 1 0 242.116 2.108 10 0 BEAERO Cc1cc(Br)ccc1[C@@H]([NH3+])CCO ZINC000217449433 371956737 /nfs/dbraw/zinc/95/67/37/371956737.db2.gz SKLUWTQERIMULU-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])c1ccc(Br)cn1 ZINC000133347747 372027839 /nfs/dbraw/zinc/02/78/39/372027839.db2.gz RCXAGVMYYZARSM-HZGVNTEJSA-N 1 0 227.105 2.038 10 0 BEAERO CC[C@H]1C[C@@]1([NH3+])c1ccc(Br)cn1 ZINC000133350785 372028127 /nfs/dbraw/zinc/02/81/27/372028127.db2.gz YJKWBIDIDHFNNE-XVKPBYJWSA-N 1 0 241.132 2.428 10 0 BEAERO CCCNC(=[NH2+])c1ncccc1Br ZINC000133375398 372034102 /nfs/dbraw/zinc/03/41/02/372034102.db2.gz CCTHMFMEFSMIBP-UHFFFAOYSA-N 1 0 242.120 2.169 10 0 BEAERO CC(C)C1(NC(=[NH2+])NCc2ccccc2)CC1 ZINC000306598183 372043604 /nfs/dbraw/zinc/04/36/04/372043604.db2.gz PHKLHDDUQMRTLB-UHFFFAOYSA-N 1 0 231.343 2.489 10 0 BEAERO C[C@H]([NH3+])c1cc2c(cc1Br)OCO2 ZINC000003705536 372055948 /nfs/dbraw/zinc/05/59/48/372055948.db2.gz ZPXVZRFLPIKCNH-YFKPBYRVSA-N 1 0 244.088 2.198 10 0 BEAERO [NH3+][C@@H](c1cscn1)[C@H]1CCCS1 ZINC000306279258 372006262 /nfs/dbraw/zinc/00/62/62/372006262.db2.gz RSYYLUQEFBDRGP-SFYZADRCSA-N 1 0 200.332 2.039 10 0 BEAERO Cc1cc([C@H](F)[C@H]2CCC[NH2+]2)sn1 ZINC000306346975 372012479 /nfs/dbraw/zinc/01/24/79/372012479.db2.gz BUKOBZFDIOFKGO-VXNVDRBHSA-N 1 0 200.282 2.214 10 0 BEAERO [NH3+]CCNc1ccc(Br)c(Cl)c1 ZINC000232193703 372113936 /nfs/dbraw/zinc/11/39/36/372113936.db2.gz JCIXYAXUZFDKMR-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO Fc1ccc(Br)c(F)c1C1C[NH2+]C1 ZINC000307411137 372119203 /nfs/dbraw/zinc/11/92/03/372119203.db2.gz PUJXUCFHYRDLLN-UHFFFAOYSA-N 1 0 248.070 2.414 10 0 BEAERO CC1(C)CCC[C@@H]1C[NH+]1CCC(=O)CC1 ZINC000306875759 372074300 /nfs/dbraw/zinc/07/43/00/372074300.db2.gz HEAPVIGGFBCXHA-LLVKDONJSA-N 1 0 209.333 2.478 10 0 BEAERO C[C@H]1CC[N@H+](C[C@H](N)c2cccs2)C1 ZINC000134103885 372159669 /nfs/dbraw/zinc/15/96/69/372159669.db2.gz AUZZZZQRRPTWID-UWVGGRQHSA-N 1 0 210.346 2.090 10 0 BEAERO CCCC[NH+]1CCC(c2nncn2CC)CC1 ZINC000105928507 168828210 /nfs/dbraw/zinc/82/82/10/168828210.db2.gz IYXKEWULMIHHIL-UHFFFAOYSA-N 1 0 236.363 2.278 10 0 BEAERO O=C(CCc1cccs1)C1CC[NH2+]CC1 ZINC000071531403 181934558 /nfs/dbraw/zinc/93/45/58/181934558.db2.gz QFJCTYICTVYCFC-UHFFFAOYSA-N 1 0 223.341 2.249 10 0 BEAERO FC1(F)CCCC[C@@H]1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852235 372651292 /nfs/dbraw/zinc/65/12/92/372651292.db2.gz HUKHHXDLFLCWFV-UTUOFQBUSA-N 1 0 244.329 2.248 10 0 BEAERO O=C(C[C@H]1C=CCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195086015 182023047 /nfs/dbraw/zinc/02/30/47/182023047.db2.gz JLDXYTUMIOQLNF-KBPBESRZSA-N 1 0 248.370 2.039 10 0 BEAERO O=C(Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000041279483 182040837 /nfs/dbraw/zinc/04/08/37/182040837.db2.gz NBVCJXHIRMQXLP-NSHDSACASA-N 1 0 237.730 2.451 10 0 BEAERO Cc1nc(C[C@@H]([NH3+])c2ccoc2)cs1 ZINC000068980117 373100294 /nfs/dbraw/zinc/10/02/94/373100294.db2.gz BOSFMSWVQQUYKQ-SNVBAGLBSA-N 1 0 208.286 2.287 10 0 BEAERO CCn1nccc1[C@H]([NH3+])c1cccs1 ZINC000069024859 373107975 /nfs/dbraw/zinc/10/79/75/373107975.db2.gz AJTKCEFWMREXFN-JTQLQIEISA-N 1 0 207.302 2.013 10 0 BEAERO CCC[C@@](C)([NH3+])CNCc1ccccc1 ZINC000040409851 373241245 /nfs/dbraw/zinc/24/12/45/373241245.db2.gz LLKFQUGOKPIDRT-CYBMUJFWSA-N 1 0 206.333 2.294 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000040502088 373360754 /nfs/dbraw/zinc/36/07/54/373360754.db2.gz HAKUNHCIOLVBJS-LLVKDONJSA-N 1 0 224.373 2.322 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCCN(C)C1)c1ccccc1 ZINC000040672430 373588986 /nfs/dbraw/zinc/58/89/86/373588986.db2.gz LJBDHYKBJVSYSZ-HIFRSBDPSA-N 1 0 232.371 2.474 10 0 BEAERO CN1CCCC[C@@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799143 373807268 /nfs/dbraw/zinc/80/72/68/373807268.db2.gz BGMKFAOTMVIHHI-MWLCHTKSSA-N 1 0 210.346 2.232 10 0 BEAERO CN1CC[C@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000069799106 373807631 /nfs/dbraw/zinc/80/76/31/373807631.db2.gz DMDITPVFHVVNOB-QWRGUYRKSA-N 1 0 210.708 2.044 10 0 BEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000069799094 373807917 /nfs/dbraw/zinc/80/79/17/373807917.db2.gz YFGGJDUZDZGQSN-MNOVXSKESA-N 1 0 210.708 2.044 10 0 BEAERO Nc1ncccc1[C@@H]([NH3+])C1CCCCC1 ZINC000069845089 373876521 /nfs/dbraw/zinc/87/65/21/373876521.db2.gz KOIRDNORLOHJSK-NSHDSACASA-N 1 0 205.305 2.244 10 0 BEAERO Cc1ccsc1[C@@](C)(O)[C@H]1CCC[NH2+]1 ZINC000069844479 373877278 /nfs/dbraw/zinc/87/72/78/373877278.db2.gz AXMLPQCXXHDQLG-KOLCDFICSA-N 1 0 211.330 2.016 10 0 BEAERO O=C(NCC[C@H]1CCCC[NH2+]1)Oc1ccccc1 ZINC000019816388 182200228 /nfs/dbraw/zinc/20/02/28/182200228.db2.gz TYRDVILWAOPKTK-GFCCVEGCSA-N 1 0 248.326 2.307 10 0 BEAERO CC[NH2+][C@H](C)c1cn(Cc2cccc(F)c2)nn1 ZINC000381423440 374118454 /nfs/dbraw/zinc/11/84/54/374118454.db2.gz CGWNOTULPCXSAX-SNVBAGLBSA-N 1 0 248.305 2.136 10 0 BEAERO C[NH2+]Cc1nc2c(s1)CC(C)(C)CC2 ZINC000070654374 374171826 /nfs/dbraw/zinc/17/18/26/374171826.db2.gz SBJNFAFRJVOMTL-UHFFFAOYSA-N 1 0 210.346 2.377 10 0 BEAERO CNc1cc(NC(=O)OC(C)(C)C)[nH+]cc1N ZINC000143910806 374258433 /nfs/dbraw/zinc/25/84/33/374258433.db2.gz VMARMCHCLBKCBY-UHFFFAOYSA-N 1 0 238.291 2.053 10 0 BEAERO c1cc2n(c1)[C@H]1CCCC[C@@H]1NC21CC[NH2+]CC1 ZINC000144315510 374284060 /nfs/dbraw/zinc/28/40/60/374284060.db2.gz VIIBZNSRDLMKHQ-STQMWFEESA-N 1 0 245.370 2.154 10 0 BEAERO Cc1ccsc1[C@@H](O)C1CC[NH2+]CC1 ZINC000042730768 374284095 /nfs/dbraw/zinc/28/40/95/374284095.db2.gz MCFNDMKGXQWDKJ-JTQLQIEISA-N 1 0 211.330 2.090 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000306333729 170037802 /nfs/dbraw/zinc/03/78/02/170037802.db2.gz DWPFYBUIICESKD-GXTWGEPZSA-N 1 0 218.344 2.116 10 0 BEAERO O=C(Nc1cc(F)ccc1F)[C@@H]1CCCC[NH2+]1 ZINC000019408798 182350324 /nfs/dbraw/zinc/35/03/24/182350324.db2.gz HVROYXHSOVFQPM-JTQLQIEISA-N 1 0 240.253 2.045 10 0 BEAERO OC1CCC([NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000309572820 183027265 /nfs/dbraw/zinc/02/72/65/183027265.db2.gz NNSZCHMOVFQAMB-YWPUVAFDSA-N 1 0 229.339 2.408 10 0 BEAERO OC1CCC([NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000309572816 183027825 /nfs/dbraw/zinc/02/78/25/183027825.db2.gz NNSZCHMOVFQAMB-WTIISPKJSA-N 1 0 229.339 2.408 10 0 BEAERO OC1(CC[NH2+][C@H]2CCC[C@@H]2CCF)CCC1 ZINC000336711352 183016472 /nfs/dbraw/zinc/01/64/72/183016472.db2.gz SGHWCHKNXJOUPW-NEPJUHHUSA-N 1 0 229.339 2.409 10 0 BEAERO OCCCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308912553 183047387 /nfs/dbraw/zinc/04/73/87/183047387.db2.gz YJMZXPKISYGZBF-NEPJUHHUSA-N 1 0 217.328 2.267 10 0 BEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1Cc2ccccc21 ZINC000090981452 183031890 /nfs/dbraw/zinc/03/18/90/183031890.db2.gz WFKGVSHLLQMEOB-JKXDFHQYSA-N 1 0 243.350 2.314 10 0 BEAERO OCC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCC1 ZINC000309635596 183035648 /nfs/dbraw/zinc/03/56/48/183035648.db2.gz MIMPHPRSBFSZER-VXGBXAGGSA-N 1 0 229.339 2.267 10 0 BEAERO OCC1(C[NH2+][C@H]2CCC[C@H]2CCF)CCC1 ZINC000309635594 183036983 /nfs/dbraw/zinc/03/69/83/183036983.db2.gz MIMPHPRSBFSZER-RYUDHWBXSA-N 1 0 229.339 2.267 10 0 BEAERO OCCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037236597 183058285 /nfs/dbraw/zinc/05/82/85/183058285.db2.gz JLHRFUDZMYHDSP-CYBMUJFWSA-N 1 0 223.291 2.249 10 0 BEAERO OCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000122267817 183070193 /nfs/dbraw/zinc/07/01/93/183070193.db2.gz XHQJRIDIWLASDN-UHFFFAOYSA-N 1 0 223.316 2.407 10 0 BEAERO OCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000037250565 183079264 /nfs/dbraw/zinc/07/92/64/183079264.db2.gz UCGMEXNWWQSYNP-LBPRGKRZSA-N 1 0 225.719 2.373 10 0 BEAERO OCC[C@@H]([NH2+]C1CC1)c1nccc2ccccc21 ZINC000095078779 183089831 /nfs/dbraw/zinc/08/98/31/183089831.db2.gz CAXATLMYAYWTEM-CQSZACIVSA-N 1 0 242.322 2.410 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000152321756 183115387 /nfs/dbraw/zinc/11/53/87/183115387.db2.gz SUTDWCOKDDCGAX-RYUDHWBXSA-N 1 0 225.357 2.389 10 0 BEAERO OC[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000374048563 183115582 /nfs/dbraw/zinc/11/55/82/183115582.db2.gz FSRHVZTWRUHBIT-CYBMUJFWSA-N 1 0 237.318 2.420 10 0 BEAERO OC[C@@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC000377235215 183115819 /nfs/dbraw/zinc/11/58/19/183115819.db2.gz CAKZBGKJXZWSNW-LLVKDONJSA-N 1 0 225.357 2.343 10 0 BEAERO OC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC1(F)F ZINC000336144747 183116141 /nfs/dbraw/zinc/11/61/41/183116141.db2.gz RBULPSHFVIYHQQ-QWRGUYRKSA-N 1 0 233.302 2.269 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000164262803 183116961 /nfs/dbraw/zinc/11/69/61/183116961.db2.gz IXRQEHVXCWURIJ-JQWIXIFHSA-N 1 0 225.357 2.389 10 0 BEAERO CCCC[C@H]([NH3+])c1ccc2c(c1)oc(=O)n2C ZINC000051361883 169009190 /nfs/dbraw/zinc/00/91/90/169009190.db2.gz OSYFVXJSDKPRKI-JTQLQIEISA-N 1 0 234.299 2.322 10 0 BEAERO CCCC[C@H](C[NH3+])NC(=O)C[C@@H](C)C(C)C ZINC000162948094 169002015 /nfs/dbraw/zinc/00/20/15/169002015.db2.gz PVASIMBUISKBHT-VXGBXAGGSA-N 1 0 228.380 2.302 10 0 BEAERO CCCN(C(=O)[C@@H]1[NH2+]CCC[C@@H]1C)C(C)C ZINC000051792562 169044843 /nfs/dbraw/zinc/04/48/43/169044843.db2.gz YDYVRACSYAUGKJ-NWDGAFQWSA-N 1 0 226.364 2.022 10 0 BEAERO CCCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000055086982 169044987 /nfs/dbraw/zinc/04/49/87/169044987.db2.gz CXHOJJIJJFXRLS-VXGBXAGGSA-N 1 0 226.364 2.151 10 0 BEAERO CCCN(C(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C)C(C)C ZINC000055126332 169045002 /nfs/dbraw/zinc/04/50/02/169045002.db2.gz VFNCMZDDDCJGDK-RWMBFGLXSA-N 1 0 240.391 2.397 10 0 BEAERO CCCN(C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000055146745 169045016 /nfs/dbraw/zinc/04/50/16/169045016.db2.gz SDGDSQZVVRUHGD-CHWSQXEVSA-N 1 0 240.391 2.399 10 0 BEAERO CCCN(C(=O)C(CC)CC)[C@H]1CCC[NH2+]C1 ZINC000037541424 169040651 /nfs/dbraw/zinc/04/06/51/169040651.db2.gz ZNBNISXHDBGYDW-ZDUSSCGKSA-N 1 0 240.391 2.413 10 0 BEAERO CCCN(C(=O)CCC(C)C)[C@H]1CCC[NH2+]C1 ZINC000037541532 169040750 /nfs/dbraw/zinc/04/07/50/169040750.db2.gz AIUIVKJKJWBTEY-ZDUSSCGKSA-N 1 0 240.391 2.413 10 0 BEAERO CCCN(C(=O)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000037470223 169040783 /nfs/dbraw/zinc/04/07/83/169040783.db2.gz YTMLRABRIXVYMP-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CCCN(C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000037096448 169044601 /nfs/dbraw/zinc/04/46/01/169044601.db2.gz JZOYUOMGKAMKTL-VXGBXAGGSA-N 1 0 226.364 2.022 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000071558192 183177340 /nfs/dbraw/zinc/17/73/40/183177340.db2.gz SBXBHHNLKBYUDH-SNVBAGLBSA-N 1 0 243.709 2.135 10 0 BEAERO CCCN(C(=O)[C@H]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000055146744 169046676 /nfs/dbraw/zinc/04/66/76/169046676.db2.gz SDGDSQZVVRUHGD-STQMWFEESA-N 1 0 240.391 2.399 10 0 BEAERO O[C@@H](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000041282826 183183480 /nfs/dbraw/zinc/18/34/80/183183480.db2.gz RRLZDLJAJXSBGO-ZDUSSCGKSA-N 1 0 239.746 2.243 10 0 BEAERO O[C@@H](CCc1cccs1)C1CC[NH2+]CC1 ZINC000071532479 183174089 /nfs/dbraw/zinc/17/40/89/183174089.db2.gz XENWGTCTXYSQOQ-LBPRGKRZSA-N 1 0 225.357 2.041 10 0 BEAERO O[C@@H](C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000070459497 183175792 /nfs/dbraw/zinc/17/57/92/183175792.db2.gz PNGPREBFAVWHQX-ZDUSSCGKSA-N 1 0 241.281 2.484 10 0 BEAERO CCCN(C(=O)[C@@H]1CC1(C)C)C1CC[NH2+]CC1 ZINC000125180676 169045651 /nfs/dbraw/zinc/04/56/51/169045651.db2.gz FDYFINHBECBFRE-LBPRGKRZSA-N 1 0 238.375 2.023 10 0 BEAERO O[C@@H]1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000041225876 183200257 /nfs/dbraw/zinc/20/02/57/183200257.db2.gz JPIKAVDNAZTEIW-LDYMZIIASA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000100178337 183201964 /nfs/dbraw/zinc/20/19/64/183201964.db2.gz SQONRQLNHUZFGN-OCAPTIKFSA-N 1 0 246.763 2.190 10 0 BEAERO O[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000336711885 183203316 /nfs/dbraw/zinc/20/33/16/183203316.db2.gz SLAGFQDECPHPIJ-RVMXOQNASA-N 1 0 229.339 2.265 10 0 BEAERO O[C@@H]1CCC2=C(C[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000169343088 183187161 /nfs/dbraw/zinc/18/71/61/183187161.db2.gz CKBBOXSCVJQABJ-UONOGXRCSA-N 1 0 221.344 2.476 10 0 BEAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000042896228 183188449 /nfs/dbraw/zinc/18/84/49/183188449.db2.gz PATUPOYGAFZDGP-HUUCEWRRSA-N 1 0 249.354 2.349 10 0 BEAERO O[C@@H]1CCC[NH2+][C@H]1c1cccc(Cl)c1 ZINC000060114281 183194580 /nfs/dbraw/zinc/19/45/80/183194580.db2.gz FWZXKAJWPUSUIW-MNOVXSKESA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000104238350 183195135 /nfs/dbraw/zinc/19/51/35/183195135.db2.gz UVBRAHASPKQPHQ-GHMZBOCLSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000037509513 183195439 /nfs/dbraw/zinc/19/54/39/183195439.db2.gz WIWJGYIWKYXNMS-RKDXNWHRSA-N 1 0 229.707 2.326 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000037164422 183195849 /nfs/dbraw/zinc/19/58/49/183195849.db2.gz GYAUEKKKNLKMJG-CHWSQXEVSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cccnc1)CC2 ZINC000019339008 183218175 /nfs/dbraw/zinc/21/81/75/183218175.db2.gz YLXVDEWNLHNDPV-LSDHHAIUSA-N 1 0 246.354 2.209 10 0 BEAERO O[C@H](C1=[NH+]CCN1)c1c(Cl)cccc1Cl ZINC000003649867 183218243 /nfs/dbraw/zinc/21/82/43/183218243.db2.gz ODBTYWLKQRMUBB-VIFPVBQESA-N 1 0 245.109 2.029 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccncc1)CC2 ZINC000019405211 183218265 /nfs/dbraw/zinc/21/82/65/183218265.db2.gz DFQPELNVIXKUCR-HUUCEWRRSA-N 1 0 246.354 2.209 10 0 BEAERO CCC[N@H+](C)CCc1nc2cc(N)ccc2[nH]1 ZINC000035659166 169078546 /nfs/dbraw/zinc/07/85/46/169078546.db2.gz CXDYVQJFSKVXKR-UHFFFAOYSA-N 1 0 232.331 2.029 10 0 BEAERO O[C@H](CC1CCCC1)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000352857759 183219209 /nfs/dbraw/zinc/21/92/09/183219209.db2.gz JNKOXOIXMMPFTM-MGPQQGTHSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@H](CCc1cccs1)C1CC[NH2+]CC1 ZINC000071532480 183220776 /nfs/dbraw/zinc/22/07/76/183220776.db2.gz XENWGTCTXYSQOQ-GFCCVEGCSA-N 1 0 225.357 2.041 10 0 BEAERO O[C@H](C[NH2+]C1CCC1)c1ccc(F)cc1F ZINC000052209915 183222815 /nfs/dbraw/zinc/22/28/15/183222815.db2.gz AXITUYOYJQTSDU-GFCCVEGCSA-N 1 0 227.254 2.140 10 0 BEAERO O[C@H](C[NH2+]C1CCC1)c1cc(F)ccc1F ZINC000052209924 183222917 /nfs/dbraw/zinc/22/29/17/183222917.db2.gz RWAUYLDPHZUIIE-GFCCVEGCSA-N 1 0 227.254 2.140 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCC2(CCC2)C1 ZINC000305693706 183231123 /nfs/dbraw/zinc/23/11/23/183231123.db2.gz SOGJJHFVTAKOPL-RYUDHWBXSA-N 1 0 209.333 2.166 10 0 BEAERO CCCN(C)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043026294 169085708 /nfs/dbraw/zinc/08/57/08/169085708.db2.gz XGDWLSOZCWLURB-BXUZGUMPSA-N 1 0 236.359 2.425 10 0 BEAERO O[C@H](c1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000036159631 183228137 /nfs/dbraw/zinc/22/81/37/183228137.db2.gz VVFCJUFGVWIZQL-RCOVLWMOSA-N 1 0 217.721 2.187 10 0 BEAERO O[C@H]1CCC2=C(C[C@H]([NH+]3CCCCC3)C2)C1 ZINC000169343096 183230671 /nfs/dbraw/zinc/23/06/71/183230671.db2.gz CKBBOXSCVJQABJ-KGLIPLIRSA-N 1 0 221.344 2.476 10 0 BEAERO O[C@@]1(CCc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000061988129 183216722 /nfs/dbraw/zinc/21/67/22/183216722.db2.gz QLDWKLFRPDXYPP-HNNXBMFYSA-N 1 0 231.339 2.218 10 0 BEAERO O[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000306645869 183238853 /nfs/dbraw/zinc/23/88/53/183238853.db2.gz FYGATCWFCMOQQG-ZDUSSCGKSA-N 1 0 217.312 2.176 10 0 BEAERO CCCN(CC)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000055126281 169112681 /nfs/dbraw/zinc/11/26/81/169112681.db2.gz RHMRCYTURTYMRF-NWDGAFQWSA-N 1 0 226.364 2.153 10 0 BEAERO O[C@H]1C[C@@H]2CC[C@H]1[N@H+](Cc1ccccc1)C2 ZINC000000173605 183248579 /nfs/dbraw/zinc/24/85/79/183248579.db2.gz LSQZRPLAUOVRPZ-MJBXVCDLSA-N 1 0 217.312 2.032 10 0 BEAERO O[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1 ZINC000082312728 183250317 /nfs/dbraw/zinc/25/03/17/183250317.db2.gz KYGXIHHOKOKQPH-CVEARBPZSA-N 1 0 239.318 2.435 10 0 BEAERO CCC[N@H+](CC)CCc1nc2cc(N)ccc2[nH]1 ZINC000035659163 169123573 /nfs/dbraw/zinc/12/35/73/169123573.db2.gz DRPXUYSGOJPEEN-UHFFFAOYSA-N 1 0 246.358 2.420 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](CCCCF)CC2 ZINC000309352386 183252730 /nfs/dbraw/zinc/25/27/30/183252730.db2.gz XSPOFSYJWVZHKT-STQMWFEESA-N 1 0 229.339 2.363 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](CCCCF)CC2 ZINC000309352381 183252845 /nfs/dbraw/zinc/25/28/45/183252845.db2.gz XSPOFSYJWVZHKT-OLZOCXBDSA-N 1 0 229.339 2.363 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000077204118 183232355 /nfs/dbraw/zinc/23/23/55/183232355.db2.gz UENJHSACLNKCNV-JSGCOSHPSA-N 1 0 237.318 2.466 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000028232218 183232506 /nfs/dbraw/zinc/23/25/06/183232506.db2.gz TYFVIIFOPODLOW-CABCVRRESA-N 1 0 231.339 2.348 10 0 BEAERO O[C@H]1CCCC[C@H]1Nc1ccnc(C2CC2)n1 ZINC000112554870 183234492 /nfs/dbraw/zinc/23/44/92/183234492.db2.gz VHZWUVRBEDKISB-MNOVXSKESA-N 1 0 233.315 2.069 10 0 BEAERO O[C@H]1CCC[NH2+][C@H]1c1ccccc1Cl ZINC000082372980 183235282 /nfs/dbraw/zinc/23/52/82/183235282.db2.gz ALSKCVLWZUYSNV-QWRGUYRKSA-N 1 0 211.692 2.125 10 0 BEAERO CCC[NH+](CCC)C[C@H](O)c1cccnc1 ZINC000062355336 169149075 /nfs/dbraw/zinc/14/90/75/169149075.db2.gz RJMYJDCMQZHJQM-ZDUSSCGKSA-N 1 0 222.332 2.237 10 0 BEAERO CCCN(CCC)[C@@H](C[NH3+])c1ccccn1 ZINC000019279626 169151243 /nfs/dbraw/zinc/15/12/43/169151243.db2.gz BJHHMOPZESIFOB-ZDUSSCGKSA-N 1 0 221.348 2.203 10 0 BEAERO Oc1ccc2c(c1)CC[NH2+][C@@H]2c1ccccn1 ZINC000003703151 183280406 /nfs/dbraw/zinc/28/04/06/183280406.db2.gz WHQICCPCPKXDJU-AWEZNQCLSA-N 1 0 226.279 2.022 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019486246 169144854 /nfs/dbraw/zinc/14/48/54/169144854.db2.gz NTRXTCBZSQCVDA-RYUDHWBXSA-N 1 0 226.364 2.023 10 0 BEAERO CCC[NH+](CCC)C[C@H](N)[C@@H](C)CC ZINC000020072234 169148520 /nfs/dbraw/zinc/14/85/20/169148520.db2.gz YJLWEGPFWMDFOF-RYUDHWBXSA-N 1 0 200.370 2.482 10 0 BEAERO CCCN(CCC)[C@H](C[NH3+])c1ccco1 ZINC000019795929 169152933 /nfs/dbraw/zinc/15/29/33/169152933.db2.gz GXWBYYWMBFLSPJ-LLVKDONJSA-N 1 0 210.321 2.401 10 0 BEAERO CCCN(CCC[NH3+])c1nncc2ccccc21 ZINC000035663579 169155944 /nfs/dbraw/zinc/15/59/44/169155944.db2.gz RXYFOWZEDRLYBY-UHFFFAOYSA-N 1 0 244.342 2.195 10 0 BEAERO CCCN(CCC[NH3+])c1nc2ccccc2o1 ZINC000038074625 169156358 /nfs/dbraw/zinc/15/63/58/169156358.db2.gz GRDAQADPJAILKV-UHFFFAOYSA-N 1 0 233.315 2.393 10 0 BEAERO CCCN(CC[NH3+])Cc1cccc(C)c1 ZINC000032011643 169158021 /nfs/dbraw/zinc/15/80/21/169158021.db2.gz HYGWCLLVIITASQ-UHFFFAOYSA-N 1 0 206.333 2.166 10 0 BEAERO Oc1cccc([C@@H]2CN(CCCF)CCO2)c1 ZINC000126282191 183293968 /nfs/dbraw/zinc/29/39/68/183293968.db2.gz NXZKVOWKYDGYCL-ZDUSSCGKSA-N 1 0 239.290 2.125 10 0 BEAERO Oc1cccc([C@@H]2C[NH+]3CCC2CC3)c1 ZINC000029247261 183294860 /nfs/dbraw/zinc/29/48/60/183294860.db2.gz XJFROBCJDBLYRU-CYBMUJFWSA-N 1 0 203.285 2.201 10 0 BEAERO CCC[N@H+](CCO)C[C@H]1Cc2ccccc21 ZINC000085576486 169165827 /nfs/dbraw/zinc/16/58/27/169165827.db2.gz KGPJWNKYKUHRRH-CYBMUJFWSA-N 1 0 219.328 2.031 10 0 BEAERO CCCN([C@@H](C)c1ccccn1)[C@H]1CC[NH2+]C1 ZINC000071314727 169181682 /nfs/dbraw/zinc/18/16/82/169181682.db2.gz MOUBBMFSUXVUEH-STQMWFEESA-N 1 0 233.359 2.217 10 0 BEAERO CCCN(c1nc2ccccn2c1C[NH3+])C(C)C ZINC000035449222 169183862 /nfs/dbraw/zinc/18/38/62/169183862.db2.gz ZNLONLCPCCRDTO-UHFFFAOYSA-N 1 0 246.358 2.418 10 0 BEAERO c1c2c(cc3c1OCCO3)[C@H](C1CC1)[NH2+]CC2 ZINC000011599036 183321376 /nfs/dbraw/zinc/32/13/76/183321376.db2.gz QLEWNLQHQMUUFF-AWEZNQCLSA-N 1 0 231.295 2.055 10 0 BEAERO c1c([C@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000082931201 183322223 /nfs/dbraw/zinc/32/22/23/183322223.db2.gz ZBMDMBRTQUAAIA-SNVBAGLBSA-N 1 0 205.305 2.034 10 0 BEAERO c1nc(-c2ccncc2)sc1C[NH2+]C1CC1 ZINC000040996783 183332414 /nfs/dbraw/zinc/33/24/14/183332414.db2.gz YHXLYKRMLCGOPR-UHFFFAOYSA-N 1 0 231.324 2.457 10 0 BEAERO CCC[N@@H+]1CC[C@@H](CC(=O)OC)C[C@@H]1C ZINC000073655992 169204971 /nfs/dbraw/zinc/20/49/71/169204971.db2.gz NXCIAWKRAIRJEC-WDEREUQCSA-N 1 0 213.321 2.060 10 0 BEAERO c1cc(CCNC2=[NH+]CCCS2)cs1 ZINC000049185304 183338179 /nfs/dbraw/zinc/33/81/79/183338179.db2.gz CTCFHSYXCKNKQO-UHFFFAOYSA-N 1 0 226.370 2.373 10 0 BEAERO CCCNC(=O)C[C@@H](C[NH3+])C1CCCCC1 ZINC000076612278 169232513 /nfs/dbraw/zinc/23/25/13/169232513.db2.gz UJCKAXFRJULQNG-LBPRGKRZSA-N 1 0 226.364 2.058 10 0 BEAERO CCC[N@@H+]1CC[C@H](CC(=O)OCC)C[C@@H]1C ZINC000073655995 169206412 /nfs/dbraw/zinc/20/64/12/169206412.db2.gz FGVINUJADVDVQD-RYUDHWBXSA-N 1 0 227.348 2.450 10 0 BEAERO CCC[N@@H+]1CCc2nc(NCC)sc2C1 ZINC000061714358 169208851 /nfs/dbraw/zinc/20/88/51/169208851.db2.gz IBWLAMLDEZJSPN-UHFFFAOYSA-N 1 0 225.361 2.343 10 0 BEAERO c1cc(CC[NH2+]Cc2ccncc2)cs1 ZINC000042249103 183349386 /nfs/dbraw/zinc/34/93/86/183349386.db2.gz VMVDJVHMGVLWPL-UHFFFAOYSA-N 1 0 218.325 2.475 10 0 BEAERO c1cc(CSC[C@H]2CCCC[NH2+]2)ccn1 ZINC000095092755 183355533 /nfs/dbraw/zinc/35/55/33/183355533.db2.gz JBURECRRCTUMAF-GFCCVEGCSA-N 1 0 222.357 2.457 10 0 BEAERO c1cc(NC2CC[NH2+]CC2)cc(N2CCCC2)c1 ZINC000038041512 183357015 /nfs/dbraw/zinc/35/70/15/183357015.db2.gz KRXTYNGNPNWNJV-UHFFFAOYSA-N 1 0 245.370 2.451 10 0 BEAERO c1cc2c(ccnc2C[C@H]2CCC[NH2+]C2)[nH]1 ZINC000089220623 183363831 /nfs/dbraw/zinc/36/38/31/183363831.db2.gz YOTBTKLEMRUORY-SNVBAGLBSA-N 1 0 215.300 2.105 10 0 BEAERO CCC[NH2+]C1CCN(CCc2cccnc2)CC1 ZINC000037718536 169255290 /nfs/dbraw/zinc/25/52/90/169255290.db2.gz ONBKOHBQBNMGLM-UHFFFAOYSA-N 1 0 247.386 2.088 10 0 BEAERO CCC[NH2+]CC(=O)c1cc(F)ccc1OC ZINC000049820000 169255489 /nfs/dbraw/zinc/25/54/89/169255489.db2.gz WQUPZQDIIQOSAP-UHFFFAOYSA-N 1 0 225.263 2.017 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1ccccc1OC ZINC000072417546 169256448 /nfs/dbraw/zinc/25/64/48/169256448.db2.gz GTDQEHITSBMQGX-UHFFFAOYSA-N 1 0 236.315 2.023 10 0 BEAERO CCC[NH2+]CCCOc1cccc(OC)c1 ZINC000020525144 169256808 /nfs/dbraw/zinc/25/68/08/169256808.db2.gz SRVTYLVIWCEJGA-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO c1cc2c(c([C@@H]3CCC[NH2+]3)c1)OCCC2 ZINC000072201831 183366136 /nfs/dbraw/zinc/36/61/36/183366136.db2.gz AMNGNMRNQSMYIC-LBPRGKRZSA-N 1 0 203.285 2.436 10 0 BEAERO CCC[NH2+]CCC(=O)c1ccc(Cl)c(N)c1 ZINC000098126631 169257494 /nfs/dbraw/zinc/25/74/94/169257494.db2.gz UTXCTBCDGBTWOC-UHFFFAOYSA-N 1 0 240.734 2.495 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000072417538 169257599 /nfs/dbraw/zinc/25/75/99/169257599.db2.gz CBMPPAOSWNFCFX-UHFFFAOYSA-N 1 0 224.279 2.154 10 0 BEAERO CCC[NH2+]C[C@@H](C)Oc1ccccc1OC ZINC000052675063 169262970 /nfs/dbraw/zinc/26/29/70/169262970.db2.gz LTZJWWKLJSVMSS-LLVKDONJSA-N 1 0 223.316 2.462 10 0 BEAERO c1cc2c(cc1C[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000011630887 183369653 /nfs/dbraw/zinc/36/96/53/183369653.db2.gz CMUDDKJNTSKVMP-LBPRGKRZSA-N 1 0 233.311 2.142 10 0 BEAERO CCC[NH2+]CCn1cnc2ccccc21 ZINC000031880193 169260925 /nfs/dbraw/zinc/26/09/25/169260925.db2.gz KMGFCNUNBKPZON-UHFFFAOYSA-N 1 0 203.289 2.036 10 0 BEAERO CCC[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000019902461 169261269 /nfs/dbraw/zinc/26/12/69/169261269.db2.gz XQUMBKMAOXEAKZ-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO CCC[NH2+]C[C@@H](C)CN(C)Cc1ccncc1 ZINC000052480896 169261394 /nfs/dbraw/zinc/26/13/94/169261394.db2.gz RQZXPEVMIHHAFK-CYBMUJFWSA-N 1 0 235.375 2.149 10 0 BEAERO c1cc(OCC[C@@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000020221521 183370867 /nfs/dbraw/zinc/37/08/67/183370867.db2.gz XUSVGUVEZVGEMJ-NSHDSACASA-N 1 0 249.310 2.326 10 0 BEAERO c1cc2c(s1)CCC[C@@H]2[NH2+]C1COC1 ZINC000082488670 183373127 /nfs/dbraw/zinc/37/31/27/183373127.db2.gz YIROUJDMFFZSLK-JTQLQIEISA-N 1 0 209.314 2.114 10 0 BEAERO c1cc2c(s1)CCC[C@H]2CN1CC[NH2+]CC1 ZINC000082653735 183373422 /nfs/dbraw/zinc/37/34/22/183373422.db2.gz WLVSEAUOSOTDGP-NSHDSACASA-N 1 0 236.384 2.073 10 0 BEAERO c1cc2nc(C[C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000089221242 183376967 /nfs/dbraw/zinc/37/69/67/183376967.db2.gz MKCDVBLOXSOTLB-JTQLQIEISA-N 1 0 215.300 2.105 10 0 BEAERO c1cc2nc(CC[C@H]3CCCC[NH2+]3)[nH]c2cn1 ZINC000071166680 183377397 /nfs/dbraw/zinc/37/73/97/183377397.db2.gz HLXMRSRUJIIZRI-SNVBAGLBSA-N 1 0 230.315 2.033 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000063145536 169242605 /nfs/dbraw/zinc/24/26/05/169242605.db2.gz PENFECJWFBKHFE-OTTFEQOBSA-N 1 0 240.391 2.317 10 0 BEAERO c1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC000082656523 183380845 /nfs/dbraw/zinc/38/08/45/183380845.db2.gz RGAFXEOPVNUDMQ-UHFFFAOYSA-N 1 0 227.311 2.475 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc(OCC)cc1 ZINC000032014538 169262726 /nfs/dbraw/zinc/26/27/26/169262726.db2.gz MNPSLGRYPYVOGH-CYBMUJFWSA-N 1 0 223.316 2.118 10 0 BEAERO CCC[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000032101447 169262823 /nfs/dbraw/zinc/26/28/23/169262823.db2.gz DLSGIPHCQOELHA-LLVKDONJSA-N 1 0 243.734 2.079 10 0 BEAERO c1ccc(C[C@H]2OC[C@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000002036999 183410459 /nfs/dbraw/zinc/41/04/59/183410459.db2.gz BFIHVAAIQMHVLM-KFWWJZLASA-N 1 0 247.338 2.113 10 0 BEAERO CCC[NH2+][C@H](C)Cc1nc(-c2ccco2)no1 ZINC000109508566 169285958 /nfs/dbraw/zinc/28/59/58/169285958.db2.gz SMLQYOHQSZDRFY-SECBINFHSA-N 1 0 235.287 2.260 10 0 BEAERO c1cn(-c2ccccc2)c(C2CC[NH2+]CC2)n1 ZINC000082510521 183386576 /nfs/dbraw/zinc/38/65/76/183386576.db2.gz FVMFRJZICRNMHD-UHFFFAOYSA-N 1 0 227.311 2.339 10 0 BEAERO CCC[NH2+][C@H](C)c1nc(-c2cccnc2)no1 ZINC000109495247 169288193 /nfs/dbraw/zinc/28/81/93/169288193.db2.gz BPXIJLDIMUBSOA-SECBINFHSA-N 1 0 232.287 2.192 10 0 BEAERO c1ccc(C2CC([NH2+]C[C@@H]3[C@H]4COC[C@H]43)C2)cc1 ZINC000367686778 183390127 /nfs/dbraw/zinc/39/01/27/183390127.db2.gz JLHXPPOBYLUNGG-WQZDSJPGSA-N 1 0 243.350 2.415 10 0 BEAERO CCC[NH2+]C[C@H](CC)N1CCO[C@H]2CCC[C@@H]21 ZINC000052540130 169264126 /nfs/dbraw/zinc/26/41/26/169264126.db2.gz XSMLNAYBKUXIOB-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO c1ccc(CCC[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000020070760 183391259 /nfs/dbraw/zinc/39/12/59/183391259.db2.gz UTLQCJOYJRSCRZ-INIZCTEOSA-N 1 0 244.382 2.303 10 0 BEAERO CCC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000037927053 169264363 /nfs/dbraw/zinc/26/43/63/169264363.db2.gz ISFAVGAFLQHMJN-CYBMUJFWSA-N 1 0 205.301 2.300 10 0 BEAERO CCC[NH2+]C[C@H]1CCCN1c1ccc(C)cn1 ZINC000053693254 169264503 /nfs/dbraw/zinc/26/45/03/169264503.db2.gz VQXYLNQUGZOVSS-CYBMUJFWSA-N 1 0 233.359 2.358 10 0 BEAERO c1ccc(CCC[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000020070757 183391887 /nfs/dbraw/zinc/39/18/87/183391887.db2.gz UTLQCJOYJRSCRZ-MRXNPFEDSA-N 1 0 244.382 2.303 10 0 BEAERO c1n[nH]cc1C[NH2+]CCCc1ccccc1 ZINC000038006021 183392079 /nfs/dbraw/zinc/39/20/79/183392079.db2.gz UJHSJBXTBKVQHY-UHFFFAOYSA-N 1 0 215.300 2.132 10 0 BEAERO c1ccc(CC[NH2+]CCN2CCCCC2)cc1 ZINC000041259889 183393361 /nfs/dbraw/zinc/39/33/61/183393361.db2.gz JNRAIMPTLRLERW-UHFFFAOYSA-N 1 0 232.371 2.305 10 0 BEAERO CCC[NH2+]Cc1ccccc1Sc1nc[nH]n1 ZINC000104295759 169267582 /nfs/dbraw/zinc/26/75/82/169267582.db2.gz ZHPQWTCHNFXEDU-UHFFFAOYSA-N 1 0 248.355 2.456 10 0 BEAERO CCC[NH2+]Cc1cccnc1-n1ccnc1C ZINC000051490904 169267587 /nfs/dbraw/zinc/26/75/87/169267587.db2.gz CCSBAIIERCXDSU-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO CCC[NH2+]Cc1nc2c(cccc2C)[nH]1 ZINC000044624191 169269527 /nfs/dbraw/zinc/26/95/27/169269527.db2.gz KTJPYORCHWXVNE-UHFFFAOYSA-N 1 0 203.289 2.371 10 0 BEAERO CCC[NH2+][C@@H](C)c1nc2ccccc2n1CCO ZINC000062366648 169276644 /nfs/dbraw/zinc/27/66/44/169276644.db2.gz GKCMDRNTCBQXQI-NSHDSACASA-N 1 0 247.342 2.089 10 0 BEAERO CCC[NH2+][C@@H](CC)CN(C)C[C@@H]1CCCOC1 ZINC000104196038 169277662 /nfs/dbraw/zinc/27/76/62/169277662.db2.gz QNOCXUDKORTGPN-KBPBESRZSA-N 1 0 242.407 2.123 10 0 BEAERO CCC[NH2+][C@@H](CC)[C@@H](C)c1nc(COC)no1 ZINC000104156265 169277790 /nfs/dbraw/zinc/27/77/90/169277790.db2.gz KMZJJNAEDKVRPX-ZJUUUORDSA-N 1 0 241.335 2.098 10 0 BEAERO CCC[NH2+][C@H](c1cncnc1)c1ncccc1C ZINC000052887412 169290576 /nfs/dbraw/zinc/29/05/76/169290576.db2.gz JGUMFEPCXPUWMG-CQSZACIVSA-N 1 0 242.326 2.269 10 0 BEAERO c1ccc(COCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051862240 183407712 /nfs/dbraw/zinc/40/77/12/183407712.db2.gz MDFVIEUTFJDFLG-LBPRGKRZSA-N 1 0 220.316 2.130 10 0 BEAERO CCC[NH2+][C@@H]1CCC[C@@H]1OC[C@@H]1CCCCO1 ZINC000044065680 169282343 /nfs/dbraw/zinc/28/23/43/169282343.db2.gz YYKXGECYCYMDTK-MJBXVCDLSA-N 1 0 241.375 2.493 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@H]2CCCC[C@@H]2C)C1=O ZINC000049647859 169282854 /nfs/dbraw/zinc/28/28/54/169282854.db2.gz FSFUZXDWYNJCJS-XQQFMLRXSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cc(C)ccc2C)C1=O ZINC000049647117 169282869 /nfs/dbraw/zinc/28/28/69/169282869.db2.gz JNVIRDPFCMSFQY-CYBMUJFWSA-N 1 0 246.354 2.408 10 0 BEAERO CCC[NH2+][C@@H]1COc2c1cc(F)cc2F ZINC000035653401 169282903 /nfs/dbraw/zinc/28/29/03/169282903.db2.gz ZXWCBLWJHHHWOS-SNVBAGLBSA-N 1 0 213.227 2.398 10 0 BEAERO CCC[NH2+][C@@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976237 169283091 /nfs/dbraw/zinc/28/30/91/169283091.db2.gz KXBWDHBFPYXWCO-BZNIZROVSA-N 1 0 241.331 2.378 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2ccccc2OC)C1 ZINC000037241050 169283368 /nfs/dbraw/zinc/28/33/68/169283368.db2.gz RMUJXALVOGTUCJ-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cccc(CC)c2)C1=O ZINC000049647839 169283515 /nfs/dbraw/zinc/28/35/15/169283515.db2.gz ITCIGFXWYLMRDQ-CQSZACIVSA-N 1 0 246.354 2.354 10 0 BEAERO c1ccc(NCC[NH2+]C[C@H]2CCCCO2)cc1 ZINC000042825359 183416111 /nfs/dbraw/zinc/41/61/11/183416111.db2.gz SIJHRIYZMUGPKR-CQSZACIVSA-N 1 0 234.343 2.257 10 0 BEAERO c1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000054309144 183416261 /nfs/dbraw/zinc/41/62/61/183416261.db2.gz KMZRCDZZOBTCPQ-LBPRGKRZSA-N 1 0 204.317 2.488 10 0 BEAERO CCCOC[C@H]([NH3+])Cc1cccc(F)c1 ZINC000044653482 169310275 /nfs/dbraw/zinc/31/02/75/169310275.db2.gz APSBPTQEWRVZPW-GFCCVEGCSA-N 1 0 211.280 2.122 10 0 BEAERO CCCO[C@H]1CCC[N@H+](CCC(C)=O)CC1 ZINC000108398506 169311683 /nfs/dbraw/zinc/31/16/83/169311683.db2.gz HVPMFSHJPVOJAZ-ZDUSSCGKSA-N 1 0 227.348 2.247 10 0 BEAERO CCCO[C@@H]1CCC[N@H+](Cc2cncnc2)CC1 ZINC000124011372 169311716 /nfs/dbraw/zinc/31/17/16/169311716.db2.gz ZYSPGJZMCVNRTJ-CQSZACIVSA-N 1 0 249.358 2.258 10 0 BEAERO CCCO[C@H]1CCC[N@H+](Cc2cncnc2)CC1 ZINC000124011604 169312907 /nfs/dbraw/zinc/31/29/07/169312907.db2.gz ZYSPGJZMCVNRTJ-AWEZNQCLSA-N 1 0 249.358 2.258 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2ccncc2)C[C@@H]1C ZINC000049712470 169291644 /nfs/dbraw/zinc/29/16/44/169291644.db2.gz BUKSUORUEUPMFK-ZFWWWQNUSA-N 1 0 247.386 2.292 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000037241379 169292092 /nfs/dbraw/zinc/29/20/92/169292092.db2.gz PRMJYKIZMSUKCM-LBPRGKRZSA-N 1 0 222.307 2.404 10 0 BEAERO CCC[NH2+][C@]1(c2nccs2)CCSC1 ZINC000041061340 169293371 /nfs/dbraw/zinc/29/33/71/169293371.db2.gz KMVPMNRISXDCJR-SNVBAGLBSA-N 1 0 228.386 2.475 10 0 BEAERO CCCNc1cc2c(nn1)CC[N@H+](CCC)C2 ZINC000054931221 169294211 /nfs/dbraw/zinc/29/42/11/169294211.db2.gz HISGKWGLSGGDSY-UHFFFAOYSA-N 1 0 234.347 2.067 10 0 BEAERO CCCSc1nnc(C)c(C)c1C[NH3+] ZINC000040290657 169341921 /nfs/dbraw/zinc/34/19/21/169341921.db2.gz SFNYRANYLULPTD-UHFFFAOYSA-N 1 0 211.334 2.054 10 0 BEAERO CCCOc1ccc([C@@H](CCO)[NH2+]C)cc1 ZINC000071531046 169320952 /nfs/dbraw/zinc/32/09/52/169320952.db2.gz MZRGXJBRPRQVHM-CYBMUJFWSA-N 1 0 223.316 2.118 10 0 BEAERO CCCOc1ccc([C@H](C)N(C)CC[NH3+])cc1 ZINC000054416969 169321939 /nfs/dbraw/zinc/32/19/39/169321939.db2.gz FAFQDJRGUBRLNS-LBPRGKRZSA-N 1 0 236.359 2.427 10 0 BEAERO CCCOc1ccc([C@](C)(C[NH3+])OC)cc1 ZINC000071531045 169322412 /nfs/dbraw/zinc/32/24/12/169322412.db2.gz JFVPKDUMEUACFJ-ZDUSSCGKSA-N 1 0 223.316 2.296 10 0 BEAERO CCCOc1ccc([C@H](CO)[NH2+]C2CC2)cc1 ZINC000052920681 169322416 /nfs/dbraw/zinc/32/24/16/169322416.db2.gz XFXIAXWGLUNAAC-AWEZNQCLSA-N 1 0 235.327 2.261 10 0 BEAERO CCCOc1ccc([C@H](C[NH3+])OC)cc1 ZINC000071511767 169322640 /nfs/dbraw/zinc/32/26/40/169322640.db2.gz VKIDEOFPUTUEAI-LBPRGKRZSA-N 1 0 209.289 2.122 10 0 BEAERO CCCOc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)O2 ZINC000043634441 169323613 /nfs/dbraw/zinc/32/36/13/169323613.db2.gz XEPCSDIGGSISEX-PELKAZGASA-N 1 0 207.273 2.256 10 0 BEAERO CCCOc1cccc(-c2nnc(C[NH2+]C)o2)c1 ZINC000061668441 169324080 /nfs/dbraw/zinc/32/40/80/169324080.db2.gz LQZIEWAMWMSILG-UHFFFAOYSA-N 1 0 247.298 2.245 10 0 BEAERO c1ccc2c(c1)ccnc2OC1CC[NH2+]CC1 ZINC000082753393 183440037 /nfs/dbraw/zinc/44/00/37/183440037.db2.gz VDHWAIQWXOCWFK-UHFFFAOYSA-N 1 0 228.295 2.366 10 0 BEAERO CCCOc1ccccc1[C@](C)(O)C[NH2+]CC ZINC000033466255 169328164 /nfs/dbraw/zinc/32/81/64/169328164.db2.gz PVLOGBNEPJVTGF-CQSZACIVSA-N 1 0 237.343 2.292 10 0 BEAERO CCCOc1ccnc2c1CCC[C@@H]2[NH3+] ZINC000095221072 169328293 /nfs/dbraw/zinc/32/82/93/169328293.db2.gz IDRFVJHAMVSERQ-JTQLQIEISA-N 1 0 206.289 2.207 10 0 BEAERO c1ccc2c(c1)CO[C@]21CCC[NH2+]CC1 ZINC000091301880 183448850 /nfs/dbraw/zinc/44/88/50/183448850.db2.gz DAFFTQRPZBSBKG-ZDUSSCGKSA-N 1 0 203.285 2.186 10 0 BEAERO c1ccc2c(c1)C[C@H]([C@@H]1CCC[NH2+]1)CN2 ZINC000012357050 183450373 /nfs/dbraw/zinc/45/03/73/183450373.db2.gz GGYJIOPBXKUYGC-AAEUAGOBSA-N 1 0 202.301 2.023 10 0 BEAERO c1ccc2c(c1)OCC[C@]21C[C@@H]1C[NH2+]C1CC1 ZINC000054596109 183452200 /nfs/dbraw/zinc/45/22/00/183452200.db2.gz DJBCVYICOZRKPM-IAQYHMDHSA-N 1 0 229.323 2.479 10 0 BEAERO CCC[C@@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019512706 169368612 /nfs/dbraw/zinc/36/86/12/169368612.db2.gz ZFSORHXQERCPTO-MROQNXINSA-N 1 0 238.375 2.212 10 0 BEAERO CCC[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000036803864 169370235 /nfs/dbraw/zinc/37/02/35/169370235.db2.gz NOQACGMWMGPDDE-SNVBAGLBSA-N 1 0 245.326 2.201 10 0 BEAERO CCC[C@@H](C(=O)Nc1cc(C)ns1)[NH+](C)C ZINC000127719036 169346423 /nfs/dbraw/zinc/34/64/23/169346423.db2.gz BUPDYXCQVYRNKQ-VIFPVBQESA-N 1 0 241.360 2.120 10 0 BEAERO c1cn(CCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)nn1 ZINC000126646349 183468535 /nfs/dbraw/zinc/46/85/35/183468535.db2.gz RVTKPVOMKKFELF-UONOGXRCSA-N 1 0 248.374 2.227 10 0 BEAERO CCC[C@@H](C)C(=O)N(CCC)[C@@H]1CCC[NH2+]C1 ZINC000037541534 169348382 /nfs/dbraw/zinc/34/83/82/169348382.db2.gz ZXTYCHNJESWMHT-CHWSQXEVSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@@H](C)C[NH2+]Cc1cnn(C)c1C ZINC000133562886 169359723 /nfs/dbraw/zinc/35/97/23/169359723.db2.gz PYSQHHOGZPBWFY-SNVBAGLBSA-N 1 0 209.337 2.254 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)[C@]1(CC)CCC[NH2+]C1 ZINC000062854030 169362816 /nfs/dbraw/zinc/36/28/16/169362816.db2.gz WEKVIFDVDFKINQ-TZMCWYRMSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000037505085 169363145 /nfs/dbraw/zinc/36/31/45/169363145.db2.gz CZTWNRHXEFLALG-TZMCWYRMSA-N 1 0 248.370 2.203 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062854032 169363378 /nfs/dbraw/zinc/36/33/78/169363378.db2.gz WEKVIFDVDFKINQ-OCCSQVGLSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@@H](CCO)C[NH2+]Cc1cccn1CC ZINC000227432350 169382695 /nfs/dbraw/zinc/38/26/95/169382695.db2.gz PHGCDSVQNPNFNE-ZDUSSCGKSA-N 1 0 238.375 2.396 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1nc(C(C)C)cs1 ZINC000049237318 169392660 /nfs/dbraw/zinc/39/26/60/169392660.db2.gz WDRZHBGBSRTURW-MRVPVSSYSA-N 1 0 241.360 2.332 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(-c2ccccn2)c[nH]1 ZINC000036873800 169393755 /nfs/dbraw/zinc/39/37/55/169393755.db2.gz JDULDDKDLKLQCR-SECBINFHSA-N 1 0 216.288 2.272 10 0 BEAERO CCC[C@@H]([NH3+])c1noc(-c2ccoc2)n1 ZINC000041052516 169395151 /nfs/dbraw/zinc/39/51/51/169395151.db2.gz MQOIPMZNYCDABG-MRVPVSSYSA-N 1 0 207.233 2.130 10 0 BEAERO CCC[C@@H](c1cccs1)N1C[C@@H]([NH3+])CC1=O ZINC000049546869 169414575 /nfs/dbraw/zinc/41/45/75/169414575.db2.gz OOROWGISWBBFJA-UWVGGRQHSA-N 1 0 238.356 2.149 10 0 BEAERO c1csc(CC[NH2+]C[C@H]2CCCO2)c1 ZINC000020052919 183515766 /nfs/dbraw/zinc/51/57/66/183515766.db2.gz KXWZSIOAWDRGAY-SNVBAGLBSA-N 1 0 211.330 2.059 10 0 BEAERO c1csc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000051871276 183520279 /nfs/dbraw/zinc/52/02/79/183520279.db2.gz VUQQUBBNCIHVGK-VIFPVBQESA-N 1 0 212.318 2.054 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCNC(C)=O ZINC000310022072 169419206 /nfs/dbraw/zinc/41/92/06/169419206.db2.gz NWCITLALVRDKML-CHWSQXEVSA-N 1 0 226.364 2.071 10 0 BEAERO c1cc2c(ncnc2OC[C@H]2CCCC[NH2+]2)s1 ZINC000051883348 183535072 /nfs/dbraw/zinc/53/50/72/183535072.db2.gz ASYJUZJJTQRBEE-SECBINFHSA-N 1 0 249.339 2.212 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000231675087 169442660 /nfs/dbraw/zinc/44/26/60/169442660.db2.gz SYJKJRWLELKXJB-CHWSQXEVSA-N 1 0 232.327 2.064 10 0 BEAERO CCC1(C)CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085375049 134343769 /nfs/dbraw/zinc/34/37/69/134343769.db2.gz PCXHBKDMEWKUAP-VXGBXAGGSA-N 1 0 238.375 2.153 10 0 BEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339513773 169492469 /nfs/dbraw/zinc/49/24/69/169492469.db2.gz VQUVZDXHZVMHJJ-RYUDHWBXSA-N 1 0 240.391 2.458 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000037764229 169502021 /nfs/dbraw/zinc/50/20/21/169502021.db2.gz MOPJJHFAOOWNFJ-SKDRFNHKSA-N 1 0 238.306 2.130 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000336678117 169526236 /nfs/dbraw/zinc/52/62/36/169526236.db2.gz CGBDVRLGXPZJGF-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO CCCc1ccc([C@@H](C)[NH2+]CCC(N)=O)cc1 ZINC000036746937 169573325 /nfs/dbraw/zinc/57/33/25/169573325.db2.gz FIIZCJDOWXJDRI-LLVKDONJSA-N 1 0 234.343 2.165 10 0 BEAERO CC(C)(C)Oc1ncc(C[NH3+])cc1Cl ZINC000051527138 166687407 /nfs/dbraw/zinc/68/74/07/166687407.db2.gz SCUARFXQJUMBFS-UHFFFAOYSA-N 1 0 214.696 2.371 10 0 BEAERO CCCn1ccc(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000302024093 169622914 /nfs/dbraw/zinc/62/29/14/169622914.db2.gz LIDBBODSZQRJRS-OCCSQVGLSA-N 1 0 236.359 2.413 10 0 BEAERO CCN(C(=O)CC1CCC([NH3+])CC1)C(C)C ZINC000055126397 169632297 /nfs/dbraw/zinc/63/22/97/169632297.db2.gz VMNGTJUYPXBUMZ-UHFFFAOYSA-N 1 0 226.364 2.151 10 0 BEAERO CCN(C(=O)[C@H]1CC[C@H](C)[NH2+]C1)C1CCCC1 ZINC000035773151 169653565 /nfs/dbraw/zinc/65/35/65/169653565.db2.gz SBBIDGVROIUGMF-RYUDHWBXSA-N 1 0 238.375 2.166 10 0 BEAERO CC1(C)[C@@H]([NH2+]C[C@H]2CCCS2)[C@@H]2CCO[C@@H]21 ZINC000226951227 134371168 /nfs/dbraw/zinc/37/11/68/134371168.db2.gz ADFXFZUBXMBRGZ-RHYQMDGZSA-N 1 0 241.400 2.285 10 0 BEAERO FC1(F)Oc2ccc([C@@H]3CCC[NH2+]3)cc2O1 ZINC000072202424 383822315 /nfs/dbraw/zinc/82/23/15/383822315.db2.gz AOESAXVPUKOBRA-QMMMGPOBSA-N 1 0 227.210 2.433 10 0 BEAERO COC1(C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000336419621 383837107 /nfs/dbraw/zinc/83/71/07/383837107.db2.gz YBVTUAVIIPNWTJ-RYUDHWBXSA-N 1 0 227.348 2.055 10 0 BEAERO CCCCC(CC)(CC)C(=O)OCC[NH3+] ZINC000087492876 383847154 /nfs/dbraw/zinc/84/71/54/383847154.db2.gz LWNONELDAIWLLU-UHFFFAOYSA-N 1 0 215.337 2.485 10 0 BEAERO C[NH+](C)C[C@]1(F)CCN(Cc2ccccc2)C1 ZINC000575622613 383877969 /nfs/dbraw/zinc/87/79/69/383877969.db2.gz XSUCJUFRUZLKAZ-CQSZACIVSA-N 1 0 236.334 2.162 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccccc1OC(F)(F)F ZINC000036779060 383911343 /nfs/dbraw/zinc/91/13/43/383911343.db2.gz AUDYKSHDAJALTJ-WCBMZHEXSA-N 1 0 249.232 2.356 10 0 BEAERO Fc1ccc(Br)c2c1C[NH2+]CCO2 ZINC000158532353 384001903 /nfs/dbraw/zinc/00/19/03/384001903.db2.gz MSSKRUCEKCCWBM-UHFFFAOYSA-N 1 0 246.079 2.070 10 0 BEAERO CCOc1cc(C[NH3+])cc(Br)c1O ZINC000050273167 383988351 /nfs/dbraw/zinc/98/83/51/383988351.db2.gz VQKBBYXRWOXFNA-UHFFFAOYSA-N 1 0 246.104 2.012 10 0 BEAERO CN[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000050269833 383990864 /nfs/dbraw/zinc/99/08/64/383990864.db2.gz WVELHJDCINDLNR-SECBINFHSA-N 1 0 219.115 2.213 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089162414 383938162 /nfs/dbraw/zinc/93/81/62/383938162.db2.gz DINUHYSURMBVMU-DYEKYZERSA-N 1 0 237.343 2.351 10 0 BEAERO CCc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089160142 383939763 /nfs/dbraw/zinc/93/97/63/383939763.db2.gz RETPRLJPCCWJIM-HUUCEWRRSA-N 1 0 233.355 2.500 10 0 BEAERO C[NH+](C)CCOc1cccc2cc[nH]c21 ZINC000089209371 383946041 /nfs/dbraw/zinc/94/60/41/383946041.db2.gz BSPKOYKPBJJEMA-UHFFFAOYSA-N 1 0 204.273 2.108 10 0 BEAERO C[C@H](Cc1cccs1)[NH2+]Cc1cncnc1 ZINC000054767481 383957107 /nfs/dbraw/zinc/95/71/07/383957107.db2.gz MLWLZGKEVSKRCR-SNVBAGLBSA-N 1 0 233.340 2.259 10 0 BEAERO [NH3+]Cc1cc(Br)cc(F)c1F ZINC000002539992 383974020 /nfs/dbraw/zinc/97/40/20/383974020.db2.gz MXMVBKWCJOEYTR-UHFFFAOYSA-N 1 0 222.032 2.186 10 0 BEAERO [NH3+]C[C@H](Cc1ccccc1)c1ccncc1 ZINC000068591183 384001724 /nfs/dbraw/zinc/00/17/24/384001724.db2.gz IZWPYLBTSGVVON-AWEZNQCLSA-N 1 0 212.296 2.367 10 0 BEAERO Cc1ccc(C[NH2+]Cc2cncnc2)s1 ZINC000054768200 383976300 /nfs/dbraw/zinc/97/63/00/383976300.db2.gz YBFNRLKLUIHXKP-UHFFFAOYSA-N 1 0 219.313 2.136 10 0 BEAERO C(C[NH+]1CCCCC1)c1[nH]nc2c1CCCCN2 ZINC000003698253 384022916 /nfs/dbraw/zinc/02/29/16/384022916.db2.gz MHPRABLGGLJHJP-UHFFFAOYSA-N 1 0 248.374 2.186 10 0 BEAERO [NH3+]Cc1ccc(C(=O)c2ccco2)s1 ZINC000090397612 384044471 /nfs/dbraw/zinc/04/44/71/384044471.db2.gz AHVHODLTLNNKRP-UHFFFAOYSA-N 1 0 207.254 2.031 10 0 BEAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)C(N)=O)cc1 ZINC000038386214 384089311 /nfs/dbraw/zinc/08/93/11/384089311.db2.gz UUZNJWGRKGDDDT-VXGBXAGGSA-N 1 0 248.370 2.410 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccn(C)c1 ZINC000091008453 384092226 /nfs/dbraw/zinc/09/22/26/384092226.db2.gz RVZXSJDRLXMIRI-CQSZACIVSA-N 1 0 237.391 2.091 10 0 BEAERO CC[C@H](C[NH3+])n1nc(C)c(Br)c1C ZINC000050589272 384098197 /nfs/dbraw/zinc/09/81/97/384098197.db2.gz RSMUTQOCJRTLJK-MRVPVSSYSA-N 1 0 246.152 2.172 10 0 BEAERO COC(=O)c1ccc(C)c(NC(C)=[NH2+])c1 ZINC000039086909 384099874 /nfs/dbraw/zinc/09/98/74/384099874.db2.gz UNPIFVNDWYBVEE-UHFFFAOYSA-N 1 0 206.245 2.191 10 0 BEAERO [NH3+][C@H]1C[C@@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000072415361 384103958 /nfs/dbraw/zinc/10/39/58/384103958.db2.gz YXDFUYXDGFMFOH-SKDRFNHKSA-N 1 0 231.274 2.279 10 0 BEAERO COC(=O)c1coc([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000278683510 384105355 /nfs/dbraw/zinc/10/53/55/384105355.db2.gz JZXRRDNIZLODST-WEDXCCLWSA-N 1 0 223.272 2.125 10 0 BEAERO COC(=O)c1coc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000278683505 384106889 /nfs/dbraw/zinc/10/68/89/384106889.db2.gz JZXRRDNIZLODST-KHQFGBGNSA-N 1 0 223.272 2.125 10 0 BEAERO Cn1ncc2c1C[C@H](c1cccs1)C[C@H]2[NH3+] ZINC000072415890 384107793 /nfs/dbraw/zinc/10/77/93/384107793.db2.gz XUSOXJVQYRKCEK-PSASIEDQSA-N 1 0 233.340 2.211 10 0 BEAERO Cc1ccc([C@H]2Cc3c(cnn3C)[C@H]([NH3+])C2)cc1 ZINC000072415875 384108087 /nfs/dbraw/zinc/10/80/87/384108087.db2.gz YXSDNCHRDJUHGA-TZMCWYRMSA-N 1 0 241.338 2.458 10 0 BEAERO c1csc(C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000336553065 384115321 /nfs/dbraw/zinc/11/53/21/384115321.db2.gz YCOJTGBIXLNXIT-LLVKDONJSA-N 1 0 238.356 2.111 10 0 BEAERO Cn1ccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000091008878 384092928 /nfs/dbraw/zinc/09/29/28/384092928.db2.gz BVAQAWCQVYKIIU-CYBMUJFWSA-N 1 0 228.295 2.248 10 0 BEAERO CCO[C@H](c1ccc(C)cc1)C1=[NH+]CCCN1 ZINC000005861327 384137056 /nfs/dbraw/zinc/13/70/56/384137056.db2.gz YMBJPKOYMAYDAM-CYBMUJFWSA-N 1 0 232.327 2.464 10 0 BEAERO [NH3+]Cc1cncc(-c2cc(F)ccc2F)c1 ZINC000091351606 384120415 /nfs/dbraw/zinc/12/04/15/384120415.db2.gz MFEGFGGTBNYJMQ-UHFFFAOYSA-N 1 0 220.222 2.486 10 0 BEAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000116318606 384129086 /nfs/dbraw/zinc/12/90/86/384129086.db2.gz JYQBFEOPZIVCEJ-CQSZACIVSA-N 1 0 241.338 2.410 10 0 BEAERO c1ccc(CNCC[NH2+]C2CCCC2)cc1 ZINC000040409859 384150703 /nfs/dbraw/zinc/15/07/03/384150703.db2.gz DZJZRMMXZVEZSK-UHFFFAOYSA-N 1 0 218.344 2.308 10 0 BEAERO CC(C)[C@]1([NH2+]Cc2ccccc2)CCCNC1=O ZINC000071973774 384190984 /nfs/dbraw/zinc/19/09/84/384190984.db2.gz PZYJFMSZSNSGGE-OAHLLOKOSA-N 1 0 246.354 2.081 10 0 BEAERO C[N@H+](C[C@H]1OCCc2ccccc21)CC(C)(C)O ZINC000118224169 384195208 /nfs/dbraw/zinc/19/52/08/384195208.db2.gz QFMLXROKIICHIT-CQSZACIVSA-N 1 0 249.354 2.003 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccsc1 ZINC000282284923 384211393 /nfs/dbraw/zinc/21/13/93/384211393.db2.gz LHEHZHRJYLFHIC-IQJOONFLSA-N 1 0 238.356 2.066 10 0 BEAERO C[C@@H](O)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000119053165 384225636 /nfs/dbraw/zinc/22/56/36/384225636.db2.gz XWIUBFDFGARWBT-NOZJJQNGSA-N 1 0 223.291 2.174 10 0 BEAERO CC(C)CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000082699253 384255203 /nfs/dbraw/zinc/25/52/03/384255203.db2.gz RNTWTLVUHAHMTF-CHWSQXEVSA-N 1 0 210.365 2.201 10 0 BEAERO CCCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082725897 384259555 /nfs/dbraw/zinc/25/95/55/384259555.db2.gz UINDLKHKOGOFOF-QWHCGFSZSA-N 1 0 210.365 2.345 10 0 BEAERO CSCCC(=O)Nc1ccc(C)nc1C ZINC000119390544 384266560 /nfs/dbraw/zinc/26/65/60/384266560.db2.gz LJRRTENRMLOBOF-UHFFFAOYSA-N 1 0 224.329 2.390 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@]2(C)CCCS2)c1 ZINC000304392236 384267498 /nfs/dbraw/zinc/26/74/98/384267498.db2.gz MTUOSQOCTKUKFB-LBPRGKRZSA-N 1 0 239.388 2.067 10 0 BEAERO CN(C)CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388164 384270032 /nfs/dbraw/zinc/27/00/32/384270032.db2.gz YASWDDNCYHBGER-UHFFFAOYSA-N 1 0 230.714 2.130 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000082992241 384272809 /nfs/dbraw/zinc/27/28/09/384272809.db2.gz ZQHQHAYLVHGVNW-VOAKCMCISA-N 1 0 211.349 2.316 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CCSCC1 ZINC000082992147 384272963 /nfs/dbraw/zinc/27/29/63/384272963.db2.gz GDNCOVARCKIIDK-JQWIXIFHSA-N 1 0 229.389 2.023 10 0 BEAERO CCc1cc(=O)[nH]c(C[N@@H+]2CCCC2(C)C)n1 ZINC000119888500 384314100 /nfs/dbraw/zinc/31/41/00/384314100.db2.gz BDXUBVDHLDQFBQ-UHFFFAOYSA-N 1 0 235.331 2.119 10 0 BEAERO FC(F)(F)[C@H]1C[NH2+]C[C@H](C2CCCC2)O1 ZINC000074942701 384315115 /nfs/dbraw/zinc/31/51/15/384315115.db2.gz PQRFYIAFENWTLV-RKDXNWHRSA-N 1 0 223.238 2.096 10 0 BEAERO c1ncc(N2CCCC2)cc1[C@@H]1CCCC[NH2+]1 ZINC000097758306 384279990 /nfs/dbraw/zinc/27/99/90/384279990.db2.gz TWULGEZDDMDNIQ-AWEZNQCLSA-N 1 0 231.343 2.496 10 0 BEAERO C[C@H]([NH2+][C@@H]1COc2ccccc21)[C@@H]1CCOC1 ZINC000119734763 384298282 /nfs/dbraw/zinc/29/82/82/384298282.db2.gz DVELRUXAPYETNV-DMDPSCGWSA-N 1 0 233.311 2.135 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccncc1 ZINC000094448469 384302597 /nfs/dbraw/zinc/30/25/97/384302597.db2.gz AUAUCKROQXDMJO-LSDHHAIUSA-N 1 0 245.370 2.140 10 0 BEAERO CN(c1nsc2ccccc21)C1CC[NH2+]CC1 ZINC000095070666 384336567 /nfs/dbraw/zinc/33/65/67/384336567.db2.gz YTWWMHXOFTWCDH-UHFFFAOYSA-N 1 0 247.367 2.485 10 0 BEAERO CN(c1nsc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000095070591 384336613 /nfs/dbraw/zinc/33/66/13/384336613.db2.gz OWNNAWABCLEPAT-VIFPVBQESA-N 1 0 233.340 2.094 10 0 BEAERO Clc1nccc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000095070343 384337325 /nfs/dbraw/zinc/33/73/25/384337325.db2.gz LZUOEBZTOIYRON-SECBINFHSA-N 1 0 241.722 2.041 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1NCc1ccc(Cl)nc1 ZINC000095072271 384343120 /nfs/dbraw/zinc/34/31/20/384343120.db2.gz CFFROILXKPQEOQ-WDEREUQCSA-N 1 0 239.750 2.095 10 0 BEAERO C[C@H]([NH3+])CSc1nc2ccccc2[nH]1 ZINC000075954819 384347334 /nfs/dbraw/zinc/34/73/34/384347334.db2.gz MVAAKUMABMUILL-ZETCQYMHSA-N 1 0 207.302 2.002 10 0 BEAERO C[C@@H]([NH3+])CSc1nc2ccccc2[nH]1 ZINC000075954821 384348443 /nfs/dbraw/zinc/34/84/43/384348443.db2.gz MVAAKUMABMUILL-SSDOTTSWSA-N 1 0 207.302 2.002 10 0 BEAERO FC(F)(F)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095076957 384353177 /nfs/dbraw/zinc/35/31/77/384353177.db2.gz AKBIYCYPMJGIDW-NSHDSACASA-N 1 0 244.260 2.370 10 0 BEAERO FC(F)(F)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000095076962 384353442 /nfs/dbraw/zinc/35/34/42/384353442.db2.gz DJASPQRBHLADQV-NSHDSACASA-N 1 0 244.260 2.370 10 0 BEAERO O=C1Nc2ccccc2CN1C[C@H]1CCC[NH2+]C1 ZINC000095077847 384353456 /nfs/dbraw/zinc/35/34/56/384353456.db2.gz PLPICVCRBRDOMT-NSHDSACASA-N 1 0 245.326 2.034 10 0 BEAERO Cc1ccsc1[C@H](CCO)[NH2+]C1CC1 ZINC000095089754 384360166 /nfs/dbraw/zinc/36/01/66/384360166.db2.gz QTGAMOXBZHYIMP-JTQLQIEISA-N 1 0 211.330 2.232 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C)nn1C ZINC000300394461 384369602 /nfs/dbraw/zinc/36/96/02/384369602.db2.gz YYIBAJOFTDAOTC-PWSUYJOCSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1ccco1 ZINC000095068308 384329228 /nfs/dbraw/zinc/32/92/28/384329228.db2.gz JCBLCHTZHBNZCG-GARJFASQSA-N 1 0 208.305 2.200 10 0 BEAERO C[C@@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccn1 ZINC000095068317 384329956 /nfs/dbraw/zinc/32/99/56/384329956.db2.gz JCWKVGUESLPLOG-NTZNESFSSA-N 1 0 219.332 2.002 10 0 BEAERO FC(F)(F)c1ccc(C2=[NH+]CCN2)cc1 ZINC000013806039 384373272 /nfs/dbraw/zinc/37/32/72/384373272.db2.gz XYDNTALWFYHWQB-UHFFFAOYSA-N 1 0 214.190 2.055 10 0 BEAERO [NH3+]CCc1cnc(-c2ccccc2)s1 ZINC000044397358 384330700 /nfs/dbraw/zinc/33/07/00/384330700.db2.gz MKCTZDPQTHWHAE-UHFFFAOYSA-N 1 0 204.298 2.311 10 0 BEAERO Cc1ccnc(SC[C@@H]2CCC[NH2+]C2)c1 ZINC000095069307 384332891 /nfs/dbraw/zinc/33/28/91/384332891.db2.gz FQKIWBPQAMVUCI-LLVKDONJSA-N 1 0 222.357 2.482 10 0 BEAERO Cc1ccnc(SC[C@H]2CC[NH2+]C2)c1 ZINC000095069310 384333032 /nfs/dbraw/zinc/33/30/32/384333032.db2.gz FENYARHSDQZNMX-JTQLQIEISA-N 1 0 208.330 2.092 10 0 BEAERO Clc1ccc(CS[C@H]2CC[NH2+]C2)cn1 ZINC000095069915 384334768 /nfs/dbraw/zinc/33/47/68/384334768.db2.gz UTFIOFTZSDHMDC-VIFPVBQESA-N 1 0 228.748 2.330 10 0 BEAERO [NH3+]Cc1nc(Cl)ccc1C(F)(F)F ZINC000095763673 384395195 /nfs/dbraw/zinc/39/51/95/384395195.db2.gz XKDOBOYVKJZVBM-UHFFFAOYSA-N 1 0 210.586 2.213 10 0 BEAERO Cn1nc(C[NH2+]C(C)(C)C)c(-c2ccccc2)n1 ZINC000045944724 384413906 /nfs/dbraw/zinc/41/39/06/384413906.db2.gz MPRCQGMEWNOHHS-UHFFFAOYSA-N 1 0 244.342 2.370 10 0 BEAERO C[C@@H]1C[C@H](N(C)Cc2nccs2)CC[N@@H+]1C ZINC000135123106 384415715 /nfs/dbraw/zinc/41/57/15/384415715.db2.gz VPGZRLNLRXKQTG-GHMZBOCLSA-N 1 0 239.388 2.058 10 0 BEAERO CC[C@@H]([NH3+])c1cccc(Br)n1 ZINC000095671584 384387828 /nfs/dbraw/zinc/38/78/28/384387828.db2.gz YIGYLEOPRNZMCB-ZCFIWIBFSA-N 1 0 215.094 2.254 10 0 BEAERO CCC1([NH2+]Cc2ccc(C(=O)NC)cc2)CCC1 ZINC000135624413 384457509 /nfs/dbraw/zinc/45/75/09/384457509.db2.gz MKTNKCQGZRFYQW-UHFFFAOYSA-N 1 0 246.354 2.469 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1nc2ccccc2o1 ZINC000096300906 384453585 /nfs/dbraw/zinc/45/35/85/384453585.db2.gz JWYNOPKTWSEZLT-JTQLQIEISA-N 1 0 231.299 2.016 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000122349638 384477963 /nfs/dbraw/zinc/47/79/63/384477963.db2.gz JMKLEQKXMKSRKH-ZDUSSCGKSA-N 1 0 219.332 2.137 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1cc(F)cc(F)c1 ZINC000228264522 134411496 /nfs/dbraw/zinc/41/14/96/134411496.db2.gz AICFMQJRSMOFTR-UHFFFAOYSA-N 1 0 242.313 2.395 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H](C)Cn1cccn1 ZINC000037154459 384484017 /nfs/dbraw/zinc/48/40/17/384484017.db2.gz TXVJFZHZTFGNCI-RYUDHWBXSA-N 1 0 209.337 2.297 10 0 BEAERO Cc1cc(C(=O)[C@H]2CCC[NH2+]2)ccc1F ZINC000011630664 384508091 /nfs/dbraw/zinc/50/80/91/384508091.db2.gz AGECOYPWOGLZNW-LLVKDONJSA-N 1 0 207.248 2.069 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000052395602 384536089 /nfs/dbraw/zinc/53/60/89/384536089.db2.gz IOTDUGBQEGLERQ-MRVPVSSYSA-N 1 0 226.707 2.195 10 0 BEAERO CCC[C@@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186496618 134417544 /nfs/dbraw/zinc/41/75/44/134417544.db2.gz XKDSMYGCJITZFM-NEPJUHHUSA-N 1 0 238.375 2.166 10 0 BEAERO CC[C@@H]1C[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000238270543 384570717 /nfs/dbraw/zinc/57/07/17/384570717.db2.gz QOHJMMANTRSXCD-ZWNOBZJWSA-N 1 0 205.301 2.408 10 0 BEAERO C[C@H]([NH3+])[C@@](C)(O)c1ccc(Br)cc1 ZINC000258372399 384571993 /nfs/dbraw/zinc/57/19/93/384571993.db2.gz WTOYRYGRQQRSIN-OIBJUYFYSA-N 1 0 244.132 2.004 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1F ZINC000084446477 384619713 /nfs/dbraw/zinc/61/97/13/384619713.db2.gz JEFZEOINMMJVJX-KPPDAEKUSA-N 1 0 223.291 2.247 10 0 BEAERO Cc1ccc(C[NH2+]CC2CC(O)C2)c(C)c1 ZINC000084446932 384623977 /nfs/dbraw/zinc/62/39/77/384623977.db2.gz UHTRWNKESALZBX-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO Cc1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000100258633 384627889 /nfs/dbraw/zinc/62/78/89/384627889.db2.gz NLOWLXKVHYWZGM-PHIMTYICSA-N 1 0 205.305 2.072 10 0 BEAERO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccn1 ZINC000100248189 384627975 /nfs/dbraw/zinc/62/79/75/384627975.db2.gz RXKDTWWGWWWTCN-UTUOFQBUSA-N 1 0 220.316 2.036 10 0 BEAERO C[C@H]1C[N@H+](CCOC(C)(C)C)CCS1 ZINC000171687132 384628114 /nfs/dbraw/zinc/62/81/14/384628114.db2.gz JBWAZLLQLBYXGU-JTQLQIEISA-N 1 0 217.378 2.239 10 0 BEAERO OC[C@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000258657583 384629709 /nfs/dbraw/zinc/62/97/09/384629709.db2.gz DUHKAFVDSAHLTM-NSHDSACASA-N 1 0 246.137 2.217 10 0 BEAERO FC1(F)CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000336144880 384630831 /nfs/dbraw/zinc/63/08/31/384630831.db2.gz XKKJAURRTLYPOO-SNVBAGLBSA-N 1 0 219.275 2.144 10 0 BEAERO [NH3+]C[C@H]1CCc2ccc(Br)cc21 ZINC000098181449 384601035 /nfs/dbraw/zinc/60/10/35/384601035.db2.gz FRZFLPHVIGEFPD-MRVPVSSYSA-N 1 0 226.117 2.438 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)c1 ZINC000160223771 384665226 /nfs/dbraw/zinc/66/52/26/384665226.db2.gz ZAYSTHHSEFVCPR-NEPJUHHUSA-N 1 0 246.354 2.313 10 0 BEAERO COC[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)OC ZINC000045656841 384665350 /nfs/dbraw/zinc/66/53/50/384665350.db2.gz CDUPLJRCFQFYFC-QWRGUYRKSA-N 1 0 217.353 2.062 10 0 BEAERO [NH3+][C@H]1CCOC[C@H]1Cc1ccc(Cl)cc1 ZINC000082360258 384676185 /nfs/dbraw/zinc/67/61/85/384676185.db2.gz YESKNPSBHPOEBT-PWSUYJOCSA-N 1 0 225.719 2.246 10 0 BEAERO CC(C)CCC[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104209800 384671020 /nfs/dbraw/zinc/67/10/20/384671020.db2.gz HLSUSZIQWCAGNR-AVGNSLFASA-N 1 0 240.391 2.173 10 0 BEAERO CCc1cccc2c(C(=O)C[NH2+]C)c[nH]c21 ZINC000082369660 384674367 /nfs/dbraw/zinc/67/43/67/384674367.db2.gz BUXYIDANMRPBGE-UHFFFAOYSA-N 1 0 216.284 2.132 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647188260 384635759 /nfs/dbraw/zinc/63/57/59/384635759.db2.gz ZNEKUWZFQWIGTF-MWLCHTKSSA-N 1 0 233.302 2.315 10 0 BEAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)O ZINC000101550201 384675914 /nfs/dbraw/zinc/67/59/14/384675914.db2.gz YPLFTNWYFSSQHA-WUHRBBMRSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@@H]1Oc2c(cc(F)cc2Cl)[C@@H]1[NH3+] ZINC000043635493 384725567 /nfs/dbraw/zinc/72/55/67/384725567.db2.gz HHIWXEYYJQJZBP-RNHFCUEFSA-N 1 0 201.628 2.260 10 0 BEAERO CO[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043254687 384682957 /nfs/dbraw/zinc/68/29/57/384682957.db2.gz BTOHXSABOAQQCW-XRGYYRRGSA-N 1 0 205.710 2.436 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000043256355 384683176 /nfs/dbraw/zinc/68/31/76/384683176.db2.gz FGUGTLFENRKAAZ-YLWLKBPMSA-N 1 0 205.710 2.172 10 0 BEAERO Cc1nc([C@@H]2CCSC2)sc1C[NH3+] ZINC000258925264 384694989 /nfs/dbraw/zinc/69/49/89/384694989.db2.gz QBFBDWFUIAXQSC-SSDOTTSWSA-N 1 0 214.359 2.131 10 0 BEAERO c1ccc2[nH]c(OC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000051883261 384697798 /nfs/dbraw/zinc/69/77/98/384697798.db2.gz AUOOYGRPYJVJLU-JTQLQIEISA-N 1 0 231.299 2.084 10 0 BEAERO Cc1ccnc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000051871487 384698078 /nfs/dbraw/zinc/69/80/78/384698078.db2.gz BAQBBOMCFDXRBV-LBPRGKRZSA-N 1 0 220.316 2.301 10 0 BEAERO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000051323750 384704038 /nfs/dbraw/zinc/70/40/38/384704038.db2.gz WVULPWVQXHINAZ-NWDGAFQWSA-N 1 0 227.348 2.450 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000052271188 384727287 /nfs/dbraw/zinc/72/72/87/384727287.db2.gz BUSDPICUPVRNAF-QXEWZRGKSA-N 1 0 219.284 2.474 10 0 BEAERO C[C@H]1Oc2c(cc(Br)cc2F)[C@H]1[NH3+] ZINC000043634300 384717022 /nfs/dbraw/zinc/71/70/22/384717022.db2.gz CJFMUEWOSUPUCM-VHWMUFPASA-N 1 0 246.079 2.369 10 0 BEAERO C[C@@H]1Oc2c(cccc2Br)[C@H]1[NH3+] ZINC000043634676 384718622 /nfs/dbraw/zinc/71/86/22/384718622.db2.gz HLPWSUNIMSZLKN-XNCJUZBTSA-N 1 0 228.089 2.230 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000052273114 384727903 /nfs/dbraw/zinc/72/79/03/384727903.db2.gz GKVAQVAGGZXXBM-ZYHUDNBSSA-N 1 0 233.311 2.346 10 0 BEAERO CC(C)CCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232557742 259656125 /nfs/dbraw/zinc/65/61/25/259656125.db2.gz HLSUSZIQWCAGNR-JHJVBQTASA-N 1 0 240.391 2.173 10 0 BEAERO c1[nH]c2ccccc2c1C[C@H]1CC[NH2+]C1 ZINC000082912691 384728520 /nfs/dbraw/zinc/72/85/20/384728520.db2.gz FMNOZIULYLZSPT-SNVBAGLBSA-N 1 0 200.285 2.320 10 0 BEAERO CCOc1cc(C[NH2+][C@H]2C[C@H]2C)ccc1O ZINC000052271627 384728818 /nfs/dbraw/zinc/72/88/18/384728818.db2.gz GCUHXAWMEOTBRL-KOLCDFICSA-N 1 0 221.300 2.289 10 0 BEAERO N[C@@H](C[NH3+])c1cccc(-c2ccccc2)c1 ZINC000044468876 384735270 /nfs/dbraw/zinc/73/52/70/384735270.db2.gz RGWXDRWEMCMNMG-AWEZNQCLSA-N 1 0 212.296 2.312 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]CCC(C)(C)C(=O)OC ZINC000309937997 384735527 /nfs/dbraw/zinc/73/55/27/384735527.db2.gz ALLSWYRWCGFSBN-GHMZBOCLSA-N 1 0 227.348 2.354 10 0 BEAERO Cc1nn(C)cc1C[NH2+]CC1(C)CCC1 ZINC000126282634 384762910 /nfs/dbraw/zinc/76/29/10/384762910.db2.gz UYMIEVHVYSUAIC-UHFFFAOYSA-N 1 0 207.321 2.008 10 0 BEAERO COc1cc(F)c([C@H]2CCC[NH2+]2)cc1OC ZINC000072202382 384820099 /nfs/dbraw/zinc/82/00/99/384820099.db2.gz HFISRMJFJAGEBX-SNVBAGLBSA-N 1 0 225.263 2.267 10 0 BEAERO c1ccc2oc(C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000054301690 384829949 /nfs/dbraw/zinc/82/99/49/384829949.db2.gz IKMVUGKZFVBMMG-JTQLQIEISA-N 1 0 216.284 2.370 10 0 BEAERO [NH3+][C@H]1CCN2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000147166180 384830630 /nfs/dbraw/zinc/83/06/30/384830630.db2.gz DOOAEYGCSVCQDK-HZMBPMFUSA-N 1 0 241.338 2.188 10 0 BEAERO CC[NH+](CC)C[C@H]1CNCc2ccccc21 ZINC000083643677 384787460 /nfs/dbraw/zinc/78/74/60/384787460.db2.gz YRDMQJZHYFBWHU-CYBMUJFWSA-N 1 0 218.344 2.215 10 0 BEAERO CC(C)CCOCC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000363481458 384788310 /nfs/dbraw/zinc/78/83/10/384788310.db2.gz SFRFVDWEBAANBZ-CQSZACIVSA-N 1 0 243.391 2.144 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000310038296 384807407 /nfs/dbraw/zinc/80/74/07/384807407.db2.gz VYKLFGNBUGJACF-YPMHNXCESA-N 1 0 221.348 2.479 10 0 BEAERO c1ccc2c(c1)C[C@H]([C@@H]1C[NH+]3CCC1CC3)O2 ZINC000013740329 384870801 /nfs/dbraw/zinc/87/08/01/384870801.db2.gz BFKVAWMWDMHLEZ-UKRRQHHQSA-N 1 0 229.323 2.332 10 0 BEAERO COC(=O)c1coc(C[NH2+]CCC(C)C)c1 ZINC000126909479 384841787 /nfs/dbraw/zinc/84/17/87/384841787.db2.gz PACVMKZYNXTNEN-UHFFFAOYSA-N 1 0 225.288 2.202 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1F ZINC000368496032 384955622 /nfs/dbraw/zinc/95/56/22/384955622.db2.gz LXPQLMPBNUBIAG-JHEVNIALSA-N 1 0 235.302 2.369 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)cc1 ZINC000368495602 384957175 /nfs/dbraw/zinc/95/71/75/384957175.db2.gz KGSNZUJIOAMRGD-JXJLXUTGSA-N 1 0 235.302 2.369 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+][C@H](C)CC1CC1 ZINC000127600048 384905565 /nfs/dbraw/zinc/90/55/65/384905565.db2.gz KHCOFFRSYCWJOZ-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H](C[NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000054334247 384910772 /nfs/dbraw/zinc/91/07/72/384910772.db2.gz INXYWDPWFYQXFO-LURJTMIESA-N 1 0 209.680 2.279 10 0 BEAERO CCC[C@H]1C[C@@H]1Nc1nccc(N(C)C)n1 ZINC000301760360 384910836 /nfs/dbraw/zinc/91/08/36/384910836.db2.gz LYBFCNWHAZEEPP-UWVGGRQHSA-N 1 0 220.320 2.143 10 0 BEAERO C[C@@H]1[C@H]([NH2+]C2COC2)C[C@H]1c1ccccc1 ZINC000376862588 384934534 /nfs/dbraw/zinc/93/45/34/384934534.db2.gz YHVUAORSDLVZST-ZLKJLUDKSA-N 1 0 217.312 2.167 10 0 BEAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CC1CC1 ZINC000127701435 384935420 /nfs/dbraw/zinc/93/54/20/384935420.db2.gz MBDOUDYFKSDQON-GFCCVEGCSA-N 1 0 205.305 2.347 10 0 BEAERO COC(C[N@@H+]1CCCC12CCCC2)OC ZINC000377048886 384967911 /nfs/dbraw/zinc/96/79/11/384967911.db2.gz VGBJPJZPDUYOOR-UHFFFAOYSA-N 1 0 213.321 2.014 10 0 BEAERO CCc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)o1 ZINC000119090792 384968310 /nfs/dbraw/zinc/96/83/10/384968310.db2.gz MJDLNEFDPOAGNS-ZJUUUORDSA-N 1 0 211.305 2.264 10 0 BEAERO OC1CC(C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000094520289 384979763 /nfs/dbraw/zinc/97/97/63/384979763.db2.gz KHEDEFUTBWASMM-UHFFFAOYSA-N 1 0 231.339 2.425 10 0 BEAERO C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@H]1CCCO1 ZINC000128009424 384980582 /nfs/dbraw/zinc/98/05/82/384980582.db2.gz FNKHHUARPHRMKN-CYBMUJFWSA-N 1 0 245.326 2.174 10 0 BEAERO CCc1ccc(C[N@H+](C)C[C@H]2CCCO2)o1 ZINC000128042501 384983884 /nfs/dbraw/zinc/98/38/84/384983884.db2.gz DKPFJKRTQCPFBL-GFCCVEGCSA-N 1 0 223.316 2.453 10 0 BEAERO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)sn1 ZINC000404460017 385002007 /nfs/dbraw/zinc/00/20/07/385002007.db2.gz NVEMVUVAMIJHEJ-GXSJLCMTSA-N 1 0 226.345 2.109 10 0 BEAERO CC[C@H]([NH2+]CCCOCCOC)C(C)(C)C ZINC000310005788 385017892 /nfs/dbraw/zinc/01/78/92/385017892.db2.gz GPAVHWPZIBRAHL-LBPRGKRZSA-N 1 0 231.380 2.454 10 0 BEAERO CC[C@H]([NH2+]C1CC(C)C1)c1cnn(C)c1 ZINC000130402425 385029105 /nfs/dbraw/zinc/02/91/05/385029105.db2.gz IQTWKBJBAMISFQ-NHNAUAITSA-N 1 0 207.321 2.259 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000407979553 385111386 /nfs/dbraw/zinc/11/13/86/385111386.db2.gz PWKLLLMGZOWOCC-OLZOCXBDSA-N 1 0 247.338 2.331 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1nccs1 ZINC000129220034 385122397 /nfs/dbraw/zinc/12/23/97/385122397.db2.gz IZSUFPGBTZPSGB-AXFHLTTASA-N 1 0 240.372 2.345 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(N)=O ZINC000061676856 385128378 /nfs/dbraw/zinc/12/83/78/385128378.db2.gz FZLAJAZMEOGKMC-KCJUWKMLSA-N 1 0 240.734 2.255 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000061641158 385129851 /nfs/dbraw/zinc/12/98/51/385129851.db2.gz SMFBZHDZLMMMDZ-RISCZKNCSA-N 1 0 227.311 2.370 10 0 BEAERO COC[C@@H](C)C[NH2+]CCCOc1ccccc1 ZINC000061815782 385138762 /nfs/dbraw/zinc/13/87/62/385138762.db2.gz ZPNTWKBXNWQSQN-ZDUSSCGKSA-N 1 0 237.343 2.328 10 0 BEAERO CCSCC[NH2+][C@@H]1COc2ccccc21 ZINC000128969477 385094649 /nfs/dbraw/zinc/09/46/49/385094649.db2.gz HCYRTHIALLWZDY-LLVKDONJSA-N 1 0 223.341 2.463 10 0 BEAERO Cc1cncc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000189890318 385195338 /nfs/dbraw/zinc/19/53/38/385195338.db2.gz KSXBVCJWKIZJLA-ZFWWWQNUSA-N 1 0 245.370 2.059 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]C1CC(c2ccccn2)C1 ZINC000308828676 385197297 /nfs/dbraw/zinc/19/72/97/385197297.db2.gz FKJDPAVXIJJFTN-PGHLRGPGSA-N 1 0 202.301 2.326 10 0 BEAERO Fc1cccc(Cl)c1CNC[C@H]1CC[NH2+]C1 ZINC000398343775 385197703 /nfs/dbraw/zinc/19/77/03/385197703.db2.gz FMOULMDLLOIMON-VIFPVBQESA-N 1 0 242.725 2.178 10 0 BEAERO C/C=C/C=C/C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000176984787 385164038 /nfs/dbraw/zinc/16/40/38/385164038.db2.gz ZJLALANTRJYGGM-IXVLWOPBSA-N 1 0 236.359 2.061 10 0 BEAERO CCCCc1ccc(C(=O)NC[C@@H](C)[NH2+]C)cc1 ZINC000647032833 385167761 /nfs/dbraw/zinc/16/77/61/385167761.db2.gz CJYLFEASNRUJLP-GFCCVEGCSA-N 1 0 248.370 2.367 10 0 BEAERO CCCC[N@H+](CC)C[C@@H](O)c1cccnc1 ZINC000062355359 385170790 /nfs/dbraw/zinc/17/07/90/385170790.db2.gz CUPHCFVOWQOAOC-CYBMUJFWSA-N 1 0 222.332 2.237 10 0 BEAERO COCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000336712646 385175924 /nfs/dbraw/zinc/17/59/24/385175924.db2.gz OFTWNWVEIQQLDX-UPJWGTAASA-N 1 0 243.391 2.188 10 0 BEAERO C[C@@H](Oc1cccc(F)c1F)[C@H](C)[NH3+] ZINC000062613906 385177248 /nfs/dbraw/zinc/17/72/48/385177248.db2.gz ONOMLASKDRRMRV-NKWVEPMBSA-N 1 0 201.216 2.079 10 0 BEAERO Cc1[nH+]ccc(N2CCC[C@@H]2CO)c1Cl ZINC000308848624 385211338 /nfs/dbraw/zinc/21/13/38/385211338.db2.gz MCVRTRQJGLRUPY-SECBINFHSA-N 1 0 226.707 2.005 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000119991128 385213240 /nfs/dbraw/zinc/21/32/40/385213240.db2.gz APTTXINYKXQMGN-KOLCDFICSA-N 1 0 211.330 2.058 10 0 BEAERO C([NH2+]C12CCC(CC1)C2)C1CCOCC1 ZINC000308859292 385221481 /nfs/dbraw/zinc/22/14/81/385221481.db2.gz UVDYYNVELWQYTP-UHFFFAOYSA-N 1 0 209.333 2.335 10 0 BEAERO c1ccc(CN2C[C@@H]3C[N@H+](C4CC4)C[C@@H]3C2)cc1 ZINC000307381769 385319961 /nfs/dbraw/zinc/31/99/61/385319961.db2.gz ZKZHQJHIHJQXOJ-GASCZTMLSA-N 1 0 242.366 2.213 10 0 BEAERO [NH3+][C@@H](C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000238655667 385260452 /nfs/dbraw/zinc/26/04/52/385260452.db2.gz CUGOMQWOHYSPHT-SNVBAGLBSA-N 1 0 209.676 2.260 10 0 BEAERO CSCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000157798138 385282843 /nfs/dbraw/zinc/28/28/43/385282843.db2.gz YWHGKLPVQQPMAZ-RYUDHWBXSA-N 1 0 229.389 2.383 10 0 BEAERO C[NH2+][C@@H](C)c1cnc(N2CCCC2)s1 ZINC000054899997 385293813 /nfs/dbraw/zinc/29/38/13/385293813.db2.gz IKHOPKLGCVPZRS-QMMMGPOBSA-N 1 0 211.334 2.024 10 0 BEAERO [NH3+]C[C@H]1CCCCN1c1nc2cccnc2s1 ZINC000409429760 385328677 /nfs/dbraw/zinc/32/86/77/385328677.db2.gz SPNBKNSLJORGPQ-SECBINFHSA-N 1 0 248.355 2.009 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCOCCO ZINC000020198563 385344834 /nfs/dbraw/zinc/34/48/34/385344834.db2.gz NPRKDOZIKVBIOH-RDBSUJKOSA-N 1 0 243.391 2.046 10 0 BEAERO O=C1OCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000120629744 385345227 /nfs/dbraw/zinc/34/52/27/385345227.db2.gz RUXWAEPQWFTMFY-VXGBXAGGSA-N 1 0 249.310 2.370 10 0 BEAERO CN(C)Nc1cc(Cl)nc(C(C)(C)C)[nH+]1 ZINC000149616085 385353509 /nfs/dbraw/zinc/35/35/09/385353509.db2.gz DFIRSMFNKHQFKM-UHFFFAOYSA-N 1 0 228.727 2.316 10 0 BEAERO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCO[C@H]1C ZINC000309024289 385366651 /nfs/dbraw/zinc/36/66/51/385366651.db2.gz YZMXSGVWFCBFCZ-HRDYMLBCSA-N 1 0 225.254 2.484 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CC1(C)C ZINC000309024318 385367716 /nfs/dbraw/zinc/36/77/16/385367716.db2.gz YZTWRJVZYQWPNS-HBNTYKKESA-N 1 0 213.365 2.418 10 0 BEAERO C[C@H](NCC(C)(C)C[NH+](C)C)c1cncs1 ZINC000131886098 385368216 /nfs/dbraw/zinc/36/82/16/385368216.db2.gz XXNIXNSTBGBIQC-JTQLQIEISA-N 1 0 241.404 2.382 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)C1CCCC1 ZINC000309016957 385370436 /nfs/dbraw/zinc/37/04/36/385370436.db2.gz UVIDRJODWJQYET-JHEVNIALSA-N 1 0 209.333 2.047 10 0 BEAERO C[NH2+][C@@H]1CCN(c2nccc3ccccc32)C1 ZINC000168737670 385384914 /nfs/dbraw/zinc/38/49/14/385384914.db2.gz MFBBOFJCLKVPNT-GFCCVEGCSA-N 1 0 227.311 2.033 10 0 BEAERO C[C@@H](C[N@H+](CC(N)=O)C(C)(C)C)c1ccccc1 ZINC000131337025 385326719 /nfs/dbraw/zinc/32/67/19/385326719.db2.gz JNGBHAZEWZRGRU-LBPRGKRZSA-N 1 0 248.370 2.376 10 0 BEAERO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1cccs1 ZINC000308973499 385327678 /nfs/dbraw/zinc/32/76/78/385327678.db2.gz FXBVJNLCVFOIQR-GARJFASQSA-N 1 0 224.373 2.349 10 0 BEAERO [NH3+]C[C@@H]1CCCCN1c1nc2cccnc2s1 ZINC000409429761 385328536 /nfs/dbraw/zinc/32/85/36/385328536.db2.gz SPNBKNSLJORGPQ-VIFPVBQESA-N 1 0 248.355 2.009 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000309085180 385410065 /nfs/dbraw/zinc/41/00/65/385410065.db2.gz WLBALPCFNUYWIR-RNJOBUHISA-N 1 0 211.349 2.293 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(Cl)cn1 ZINC000165739729 385411720 /nfs/dbraw/zinc/41/17/20/385411720.db2.gz HNJQAWZCKVEGEU-HTQZYQBOSA-N 1 0 213.712 2.273 10 0 BEAERO [NH3+][C@@H](c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000062775760 385415429 /nfs/dbraw/zinc/41/54/29/385415429.db2.gz OWSADGTXTKDODN-SNVBAGLBSA-N 1 0 207.664 2.111 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644089407 385440588 /nfs/dbraw/zinc/44/05/88/385440588.db2.gz LIAYEPXIISIBQN-AAEUAGOBSA-N 1 0 246.354 2.170 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000052762467 385466468 /nfs/dbraw/zinc/46/64/68/385466468.db2.gz NXSOKXCURRKHFS-GFCCVEGCSA-N 1 0 225.357 2.485 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1cccc(Br)c1 ZINC000036779456 385534944 /nfs/dbraw/zinc/53/49/44/385534944.db2.gz INXCPIBQZHVOJV-VHSXEESVSA-N 1 0 244.132 2.220 10 0 BEAERO OCCc1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000259528174 385543375 /nfs/dbraw/zinc/54/33/75/385543375.db2.gz UBFACTXXMFAGTI-CYBMUJFWSA-N 1 0 205.301 2.036 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCCOC(C)C)o1 ZINC000309347123 385546189 /nfs/dbraw/zinc/54/61/89/385546189.db2.gz LZHSNEMIZNHMNQ-LLVKDONJSA-N 1 0 226.320 2.449 10 0 BEAERO [NH3+][C@@H]1C[C@]12CCc1ccc(Br)cc12 ZINC000258179751 385547488 /nfs/dbraw/zinc/54/74/88/385547488.db2.gz HCPSLGJNYBFEFE-MNOVXSKESA-N 1 0 238.128 2.364 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccc(CCO)cc2)CC1 ZINC000258184274 385552589 /nfs/dbraw/zinc/55/25/89/385552589.db2.gz MOPCQUXEVRJQKD-AWEZNQCLSA-N 1 0 233.355 2.421 10 0 BEAERO CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)C(C)(C)C ZINC000309421589 385576685 /nfs/dbraw/zinc/57/66/85/385576685.db2.gz DQTXBABSQFRZDA-YPMHNXCESA-N 1 0 231.380 2.188 10 0 BEAERO CC(C)(C)OC(=O)C[NH+](CC1CC1)CC1CC1 ZINC000115563297 385559804 /nfs/dbraw/zinc/55/98/04/385559804.db2.gz YWXLZBSSSGUCSV-UHFFFAOYSA-N 1 0 239.359 2.450 10 0 BEAERO COc1ccccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037164434 385596994 /nfs/dbraw/zinc/59/69/94/385596994.db2.gz BMUIEJDPPHFNOQ-CHWSQXEVSA-N 1 0 235.327 2.088 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000037164328 385597361 /nfs/dbraw/zinc/59/73/61/385597361.db2.gz PLQDWJFDJVJENU-VXGBXAGGSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037164548 385597461 /nfs/dbraw/zinc/59/74/61/385597461.db2.gz FZAABRAAHNYLIW-GHMZBOCLSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000037164325 385597880 /nfs/dbraw/zinc/59/78/80/385597880.db2.gz PLQDWJFDJVJENU-RYUDHWBXSA-N 1 0 241.281 2.358 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cn(C(C)C)nn1 ZINC000309443330 385584273 /nfs/dbraw/zinc/58/42/73/385584273.db2.gz ZZTMXANBMZXFAP-CMPLNLGQSA-N 1 0 222.336 2.137 10 0 BEAERO [NH3+]CCc1nc(-c2ccc(Cl)s2)c[nH]1 ZINC000036876260 385588780 /nfs/dbraw/zinc/58/87/80/385588780.db2.gz OSGACHQLOVKAOC-UHFFFAOYSA-N 1 0 227.720 2.293 10 0 BEAERO [NH3+]C[C@H](c1ccc(Cl)s1)N1CCCC1 ZINC000036906788 385589606 /nfs/dbraw/zinc/58/96/06/385589606.db2.gz APWFHIAUSLIRSB-MRVPVSSYSA-N 1 0 230.764 2.497 10 0 BEAERO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C(C)C ZINC000309459708 385591438 /nfs/dbraw/zinc/59/14/38/385591438.db2.gz NNZVKYDPDUBWOJ-NEPJUHHUSA-N 1 0 227.348 2.496 10 0 BEAERO CC[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290714 385610681 /nfs/dbraw/zinc/61/06/81/385610681.db2.gz FVNYDYBCFLUNHX-OLZOCXBDSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H]1[C@@H](N)CC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000394838241 385654087 /nfs/dbraw/zinc/65/40/87/385654087.db2.gz SDZDNNXPGVVYCC-LPWJVIDDSA-N 1 0 210.365 2.234 10 0 BEAERO CC[C@@H](COC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336738052 385654898 /nfs/dbraw/zinc/65/48/98/385654898.db2.gz NZIMLMZDRTZSRP-RNJOBUHISA-N 1 0 229.364 2.205 10 0 BEAERO C[C@H]1[C@H](N)CC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000394838248 385654999 /nfs/dbraw/zinc/65/49/99/385654999.db2.gz SDZDNNXPGVVYCC-YVECIDJPSA-N 1 0 210.365 2.234 10 0 BEAERO CC[C@H]([NH2+]Cc1nncn1CC)C(C)(C)C ZINC000336734348 385666390 /nfs/dbraw/zinc/66/63/90/385666390.db2.gz KVRJGXOLZYWUHS-JTQLQIEISA-N 1 0 224.352 2.212 10 0 BEAERO Cn1ccc(C[NH2+][C@H]2CCC[C@@H]2CCF)n1 ZINC000309553254 385685872 /nfs/dbraw/zinc/68/58/72/385685872.db2.gz GRTTYHQXFWPVOD-PWSUYJOCSA-N 1 0 225.311 2.038 10 0 BEAERO C[C@@]1(c2cccc(Br)c2)C[C@H]1[NH3+] ZINC000052126027 385698865 /nfs/dbraw/zinc/69/88/65/385698865.db2.gz STQRDQYOJVEXSX-ZJUUUORDSA-N 1 0 226.117 2.438 10 0 BEAERO Cn1ccnc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336688105 385708245 /nfs/dbraw/zinc/70/82/45/385708245.db2.gz JMTSPTDQRVWQKI-MNOVXSKESA-N 1 0 225.311 2.038 10 0 BEAERO Cn1ccnc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336688107 385708427 /nfs/dbraw/zinc/70/84/27/385708427.db2.gz JMTSPTDQRVWQKI-QWRGUYRKSA-N 1 0 225.311 2.038 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)o1 ZINC000230197250 385716308 /nfs/dbraw/zinc/71/63/08/385716308.db2.gz JRQILWXUUHRMCA-RISCZKNCSA-N 1 0 237.343 2.483 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000052395687 385732026 /nfs/dbraw/zinc/73/20/26/385732026.db2.gz BALNFLLNRJMQGH-RKDXNWHRSA-N 1 0 240.734 2.125 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@H]1c1cnno1 ZINC000616621286 385747466 /nfs/dbraw/zinc/74/74/66/385747466.db2.gz MODAZMICICQJSL-JTQLQIEISA-N 1 0 209.293 2.395 10 0 BEAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC[NH3+] ZINC000211682415 385750024 /nfs/dbraw/zinc/75/00/24/385750024.db2.gz ZDTNSAPHMKGVND-JTQLQIEISA-N 1 0 226.751 2.209 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336697949 385755806 /nfs/dbraw/zinc/75/58/06/385755806.db2.gz JAPFNEWCROJBST-MCIONIFRSA-N 1 0 242.407 2.120 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCCCF)o1 ZINC000336701647 385767458 /nfs/dbraw/zinc/76/74/58/385767458.db2.gz YKCQRLRFUZIEBJ-VIFPVBQESA-N 1 0 200.257 2.383 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](C)N(C)C)C(C)(C)C ZINC000336654228 385721916 /nfs/dbraw/zinc/72/19/16/385721916.db2.gz MRPRYQLQMMHVRG-GHMZBOCLSA-N 1 0 200.370 2.351 10 0 BEAERO CC[C@H]([NH2+]C[C@H](C)N(C)C)C(C)(C)C ZINC000336654238 385722350 /nfs/dbraw/zinc/72/23/50/385722350.db2.gz MRPRYQLQMMHVRG-QWRGUYRKSA-N 1 0 200.370 2.351 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000336654279 385724127 /nfs/dbraw/zinc/72/41/27/385724127.db2.gz MSURBXXRXMHUQJ-UKKRHICBSA-N 1 0 215.362 2.038 10 0 BEAERO CC[C@@]1(C(=O)c2cocc2C)CC[NH2+]C1 ZINC000306812476 385804898 /nfs/dbraw/zinc/80/48/98/385804898.db2.gz ZINSCHMBLUPXST-GFCCVEGCSA-N 1 0 207.273 2.160 10 0 BEAERO [NH3+]Cc1cnc(OC2CCC2)c(Cl)c1 ZINC000051521770 385840735 /nfs/dbraw/zinc/84/07/35/385840735.db2.gz UPNAKXMFPHGZBV-UHFFFAOYSA-N 1 0 212.680 2.125 10 0 BEAERO CC[C@@]1(C(=O)c2ccsn2)CCC[NH2+]C1 ZINC000307642846 385914707 /nfs/dbraw/zinc/91/47/07/385914707.db2.gz NFLIDUDBCMPATJ-LLVKDONJSA-N 1 0 224.329 2.106 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000336741977 385919849 /nfs/dbraw/zinc/91/98/49/385919849.db2.gz WDGGRNIIJIFDSB-SRVKXCTJSA-N 1 0 215.312 2.283 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1 ZINC000123195847 385866555 /nfs/dbraw/zinc/86/65/55/385866555.db2.gz VEQZTFJCUBNMFV-RYUDHWBXSA-N 1 0 207.317 2.102 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)cc1 ZINC000123196291 385866969 /nfs/dbraw/zinc/86/69/69/385866969.db2.gz VEQZTFJCUBNMFV-NEPJUHHUSA-N 1 0 207.317 2.102 10 0 BEAERO O=c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c[nH]1 ZINC000392815197 385879347 /nfs/dbraw/zinc/87/93/47/385879347.db2.gz ZXEIKVVHTGGKOB-QJPTWQEYSA-N 1 0 218.300 2.065 10 0 BEAERO Clc1ccc(N2CCC3(CC[NH2+]3)CC2)nc1 ZINC000335018513 385978041 /nfs/dbraw/zinc/97/80/41/385978041.db2.gz STAJECKBYYOUAO-UHFFFAOYSA-N 1 0 237.734 2.067 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(CCC)CC(C)C ZINC000309011550 385937566 /nfs/dbraw/zinc/93/75/66/385937566.db2.gz PEFFVWFTKBIMNH-LLVKDONJSA-N 1 0 214.353 2.008 10 0 BEAERO C[C@@H](O)CC[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000219858911 385947313 /nfs/dbraw/zinc/94/73/13/385947313.db2.gz DETPGVTVHZDHQY-YPMHNXCESA-N 1 0 219.328 2.029 10 0 BEAERO C[NH2+][C@H]1COc2c1c(C)ccc2Br ZINC000575543249 385956396 /nfs/dbraw/zinc/95/63/96/385956396.db2.gz VSCJOVNPBNGFNE-QMMMGPOBSA-N 1 0 242.116 2.410 10 0 BEAERO CC[C@@H](C)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123955153 385958648 /nfs/dbraw/zinc/95/86/48/385958648.db2.gz COLKYNDHISSCOF-VXGBXAGGSA-N 1 0 209.337 2.216 10 0 BEAERO C/C(=C/c1ncccc1Br)C[NH3+] ZINC000307651993 385965794 /nfs/dbraw/zinc/96/57/94/385965794.db2.gz SEALUADUQDCFIY-ALCCZGGFSA-N 1 0 227.105 2.206 10 0 BEAERO C[C@@](F)(c1cscn1)[C@H]1CCC[NH2+]1 ZINC000307186716 386010954 /nfs/dbraw/zinc/01/09/54/386010954.db2.gz VALBSHFVKRJRPO-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO CC(C)(O)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336770944 386019780 /nfs/dbraw/zinc/01/97/80/386019780.db2.gz XDFPIURNJWQMDK-QWRGUYRKSA-N 1 0 217.328 2.265 10 0 BEAERO CCN1CCC[C@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000189523943 386023381 /nfs/dbraw/zinc/02/33/81/386023381.db2.gz UABDKYXSMBTDOV-HSBZDZAISA-N 1 0 240.391 2.016 10 0 BEAERO COC1CC([NH3+])(c2ccc(Cl)s2)C1 ZINC000575561909 386025677 /nfs/dbraw/zinc/02/56/77/386025677.db2.gz VMKOYQPLTGOOKV-UHFFFAOYSA-N 1 0 217.721 2.364 10 0 BEAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000336729187 386103040 /nfs/dbraw/zinc/10/30/40/386103040.db2.gz HOFAHQGZHACHFL-VWYCJHECSA-N 1 0 225.332 2.106 10 0 BEAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)C1(C(=O)OC)CCC1 ZINC000336729185 386103599 /nfs/dbraw/zinc/10/35/99/386103599.db2.gz HOFAHQGZHACHFL-MXWKQRLJSA-N 1 0 225.332 2.106 10 0 BEAERO C[C@]([NH3+])(CO)c1cc(Cl)ccc1Cl ZINC000038124568 386123621 /nfs/dbraw/zinc/12/36/21/386123621.db2.gz OOULGQNIGGEKQD-VIFPVBQESA-N 1 0 220.099 2.160 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129518237 386083300 /nfs/dbraw/zinc/08/33/00/386083300.db2.gz ZIYJOIPGKRKJMH-KBPBESRZSA-N 1 0 246.354 2.191 10 0 BEAERO CCOCC(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000309342635 386144657 /nfs/dbraw/zinc/14/46/57/386144657.db2.gz XOKNHNVIYUQCRC-LLVKDONJSA-N 1 0 231.380 2.046 10 0 BEAERO Nc1ncc(Br)c2c1CCCC2 ZINC000263618047 386154647 /nfs/dbraw/zinc/15/46/47/386154647.db2.gz QZTPSDMYQGRZGI-UHFFFAOYSA-N 1 0 227.105 2.305 10 0 BEAERO Cc1cc([C@]2([NH3+])CS[C@H](C)C2)sn1 ZINC000575572822 386156487 /nfs/dbraw/zinc/15/64/87/386156487.db2.gz QOMMISYIFJATOD-VXNVDRBHSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(c2cscn2)CS1 ZINC000575573671 386160119 /nfs/dbraw/zinc/16/01/19/386160119.db2.gz ZDIAEBLIUQPQCE-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO COC[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000130570628 386175904 /nfs/dbraw/zinc/17/59/04/386175904.db2.gz PYYLAGOBQRWAPQ-LBPRGKRZSA-N 1 0 246.354 2.123 10 0 BEAERO CC[NH2+][C@H](CC(=O)OC)c1ccc(F)cc1 ZINC000083616299 386129300 /nfs/dbraw/zinc/12/93/00/386129300.db2.gz MCNBDOXWTFDEJI-LLVKDONJSA-N 1 0 225.263 2.039 10 0 BEAERO C[C@@H](CC[NH2+]CC1CCCCC1)[S@@](C)=O ZINC000125035795 386215918 /nfs/dbraw/zinc/21/59/18/386215918.db2.gz VKISBUVCMVHNNT-NHYWBVRUSA-N 1 0 231.405 2.313 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])Cc1coc(Br)c1 ZINC000575582671 386249649 /nfs/dbraw/zinc/24/96/49/386249649.db2.gz QHCIJQLMDLPJJU-HZGVNTEJSA-N 1 0 230.105 2.322 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1ccc(F)cc1Br ZINC000236318300 386252122 /nfs/dbraw/zinc/25/21/22/386252122.db2.gz PROLMMOPEODFKB-APPZFPTMSA-N 1 0 230.080 2.403 10 0 BEAERO CN(Cc1ccccc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000040449156 386199482 /nfs/dbraw/zinc/19/94/82/386199482.db2.gz FTAQCJUQTAEZTC-ZIAGYGMSSA-N 1 0 218.344 2.388 10 0 BEAERO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H](C)CO ZINC000125764457 386311370 /nfs/dbraw/zinc/31/13/70/386311370.db2.gz GGVRADGHKUAEPL-NXEZZACHSA-N 1 0 227.735 2.447 10 0 BEAERO C[C@@]1(c2nc(-c3cccnc3)no2)CCCC[NH2+]1 ZINC000133834129 386380082 /nfs/dbraw/zinc/38/00/82/386380082.db2.gz ZDISDMZBMMGGSI-ZDUSSCGKSA-N 1 0 244.298 2.120 10 0 BEAERO Cn1ncc2c1CCC[C@H]2[NH2+]C1CC(F)(F)C1 ZINC000277140842 386410237 /nfs/dbraw/zinc/41/02/37/386410237.db2.gz PGNKBRBGXOFULB-SNVBAGLBSA-N 1 0 241.285 2.185 10 0 BEAERO Cc1[nH]c2cc(F)cc(F)c2c1CC[NH3+] ZINC000238482823 386487798 /nfs/dbraw/zinc/48/77/98/386487798.db2.gz VPNMDGBLVPLPBY-UHFFFAOYSA-N 1 0 210.227 2.256 10 0 BEAERO FC(F)(F)c1cccnc1[C@@H]1CC[NH2+]C1 ZINC000238576644 386505667 /nfs/dbraw/zinc/50/56/67/386505667.db2.gz NMFYQBGSDABAQS-SSDOTTSWSA-N 1 0 216.206 2.177 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000190419982 386505627 /nfs/dbraw/zinc/50/56/27/386505627.db2.gz DAYQRXGNBZTSIR-NDBYEHHHSA-N 1 0 241.375 2.205 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000519613921 386512299 /nfs/dbraw/zinc/51/22/99/386512299.db2.gz NLMSQBBXOWQJIH-FDYHWXHSSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccn1C ZINC000267227301 386514795 /nfs/dbraw/zinc/51/47/95/386514795.db2.gz FCNXDQPOAYVXDJ-GXTWGEPZSA-N 1 0 236.359 2.176 10 0 BEAERO CN(Cc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911534 386533042 /nfs/dbraw/zinc/53/30/42/386533042.db2.gz XAUSFIGJHDOOQC-CQSZACIVSA-N 1 0 236.334 2.257 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000414450566 386533281 /nfs/dbraw/zinc/53/32/81/386533281.db2.gz XYZCPRKMPIARKP-CLLJXQQHSA-N 1 0 249.358 2.078 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000399402571 386542562 /nfs/dbraw/zinc/54/25/62/386542562.db2.gz HGXAOXFMLWMDRY-GXSJLCMTSA-N 1 0 241.281 2.310 10 0 BEAERO CCSCC[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000336756664 386571278 /nfs/dbraw/zinc/57/12/78/386571278.db2.gz IXOCXUCJYCPOMP-NEPJUHHUSA-N 1 0 230.421 2.058 10 0 BEAERO CCSCC[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000336756665 386571602 /nfs/dbraw/zinc/57/16/02/386571602.db2.gz IXOCXUCJYCPOMP-NWDGAFQWSA-N 1 0 230.421 2.058 10 0 BEAERO CCC[C@H](C(=O)N(CCC)CCC)[NH+](C)C ZINC000179332867 386637555 /nfs/dbraw/zinc/63/75/55/386637555.db2.gz VHZDITLWNMFURF-GFCCVEGCSA-N 1 0 228.380 2.365 10 0 BEAERO CC[C@H]([NH2+]CCc1nc(C)n[nH]1)C(C)(C)C ZINC000336739081 386661420 /nfs/dbraw/zinc/66/14/20/386661420.db2.gz OUFNJEFQEKAPSO-JTQLQIEISA-N 1 0 224.352 2.070 10 0 BEAERO C[C@H]([NH2+][C@H]1COc2ccccc21)[C@H]1CCOC1 ZINC000246891275 386685739 /nfs/dbraw/zinc/68/57/39/386685739.db2.gz DVELRUXAPYETNV-GVXVVHGQSA-N 1 0 233.311 2.135 10 0 BEAERO CC(C)[N@H+](C[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000647960725 386730753 /nfs/dbraw/zinc/73/07/53/386730753.db2.gz FBFXKWWJZREYOY-AAEUAGOBSA-N 1 0 211.349 2.410 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CO)C[C@H](C)O1 ZINC000645116946 386730787 /nfs/dbraw/zinc/73/07/87/386730787.db2.gz TYNVCNNZSVIZRD-NDKCEZKHSA-N 1 0 241.375 2.083 10 0 BEAERO CC(C)[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000647960727 386731111 /nfs/dbraw/zinc/73/11/11/386731111.db2.gz FBFXKWWJZREYOY-WCQYABFASA-N 1 0 211.349 2.410 10 0 BEAERO O=C1OCC[C@H]1[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494533 386791693 /nfs/dbraw/zinc/79/16/93/386791693.db2.gz WNPNLEBRBNHAOT-TZMCWYRMSA-N 1 0 235.327 2.124 10 0 BEAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396589034 386777446 /nfs/dbraw/zinc/77/74/46/386777446.db2.gz SLMLYLKXUWLUMH-SCRDCRAPSA-N 1 0 218.344 2.478 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCc2ccccc21 ZINC000396563876 386777493 /nfs/dbraw/zinc/77/74/93/386777493.db2.gz UXXRFYITSGSQMQ-GLQYFDAESA-N 1 0 230.355 2.404 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCc2ccccc21 ZINC000396563878 386779396 /nfs/dbraw/zinc/77/93/96/386779396.db2.gz UXXRFYITSGSQMQ-NILFDRSVSA-N 1 0 230.355 2.404 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000336743737 386780468 /nfs/dbraw/zinc/78/04/68/386780468.db2.gz UFJGLBIVKYYHCQ-VXGBXAGGSA-N 1 0 221.348 2.081 10 0 BEAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000114484091 386784295 /nfs/dbraw/zinc/78/42/95/386784295.db2.gz MIPMHIUCNIFMTH-QWHCGFSZSA-N 1 0 235.331 2.116 10 0 BEAERO Fc1cc(Cl)ccc1CNC[C@H]1CC[NH2+]C1 ZINC000398385467 386816281 /nfs/dbraw/zinc/81/62/81/386816281.db2.gz WMFHLYNKRBMYOW-VIFPVBQESA-N 1 0 242.725 2.178 10 0 BEAERO Cc1ncc([C@@H](F)[C@H]2CCC[NH2+]2)s1 ZINC000575451739 386804812 /nfs/dbraw/zinc/80/48/12/386804812.db2.gz MZIFSSZCSANLLO-APPZFPTMSA-N 1 0 200.282 2.214 10 0 BEAERO C[C@@H]1SCCC[C@]1([NH3+])c1ccns1 ZINC000575453041 386813958 /nfs/dbraw/zinc/81/39/58/386813958.db2.gz DLSIZOFJAMYNHF-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000293358575 386826812 /nfs/dbraw/zinc/82/68/12/386826812.db2.gz HHWVNNGGIKAKMJ-NQBHXWOUSA-N 1 0 220.316 2.218 10 0 BEAERO C[C@H]1C[C@H](c2ccncc2Br)C[NH2+]1 ZINC000575454035 386829396 /nfs/dbraw/zinc/82/93/96/386829396.db2.gz ORPZAHBJXVDPTC-YUMQZZPRSA-N 1 0 241.132 2.310 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)C1CC(C)(C)C1 ZINC000395437418 386830235 /nfs/dbraw/zinc/83/02/35/386830235.db2.gz OXHGCSXYBKYZBM-CYBMUJFWSA-N 1 0 243.391 2.284 10 0 BEAERO C(C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)C1CC1 ZINC000334790006 386853374 /nfs/dbraw/zinc/85/33/74/386853374.db2.gz RWYBINBAQMXRTM-STQMWFEESA-N 1 0 221.344 2.287 10 0 BEAERO C(C1CCC1)[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334791637 386855929 /nfs/dbraw/zinc/85/59/29/386855929.db2.gz XZPBNWIXKGZDPK-QWHCGFSZSA-N 1 0 221.344 2.287 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1CC1CC(F)(F)C1 ZINC000334792140 386857978 /nfs/dbraw/zinc/85/79/78/386857978.db2.gz QJSFWKJCRXRTHO-RKDXNWHRSA-N 1 0 219.275 2.141 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C[C@H](C)O1 ZINC000648416008 386937607 /nfs/dbraw/zinc/93/76/07/386937607.db2.gz DHNKIGVRDVKJCH-LOWDOPEQSA-N 1 0 227.348 2.101 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000398695626 386952545 /nfs/dbraw/zinc/95/25/45/386952545.db2.gz DKNKAZTUBTVRGE-GZBFAFLISA-N 1 0 249.329 2.419 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@@H]1C[C@@H]1C ZINC000321952366 387007218 /nfs/dbraw/zinc/00/72/18/387007218.db2.gz XAFPEPKUHQIUCW-LOWDOPEQSA-N 1 0 210.365 2.105 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CCCCCF)C[C@H]2C1 ZINC000398766781 386988069 /nfs/dbraw/zinc/98/80/69/386988069.db2.gz FEQYACMUPGBGHA-YNEHKIRRSA-N 1 0 229.339 2.219 10 0 BEAERO CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398784044 386991790 /nfs/dbraw/zinc/99/17/90/386991790.db2.gz OAWQKLSXIFKUIU-AVGNSLFASA-N 1 0 209.333 2.045 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNc1cncc(Cl)n1 ZINC000267181369 386994876 /nfs/dbraw/zinc/99/48/76/386994876.db2.gz FPPWTCQEPXURTN-VIFPVBQESA-N 1 0 242.754 2.272 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])Cc1ccc(Br)o1 ZINC000575582700 387057484 /nfs/dbraw/zinc/05/74/84/387057484.db2.gz RYAYOKXDIXLJQR-IMTBSYHQSA-N 1 0 230.105 2.322 10 0 BEAERO Cc1ncc([C@H]([NH3+])[C@@]2(C)C[C@H]2F)s1 ZINC000575466694 387060835 /nfs/dbraw/zinc/06/08/35/387060835.db2.gz PWNLPTIZNDHVCB-VGMNWLOBSA-N 1 0 200.282 2.199 10 0 BEAERO C[C@H]([NH3+])CCNc1cc(C(F)(F)F)ccn1 ZINC000085486235 387062721 /nfs/dbraw/zinc/06/27/21/387062721.db2.gz VJEGWZYTIJICFD-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO CC[C@H]1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000117342857 387016652 /nfs/dbraw/zinc/01/66/52/387016652.db2.gz DDOKLDXIMQMXQS-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)cc1 ZINC000334881499 387023893 /nfs/dbraw/zinc/02/38/93/387023893.db2.gz XQOSIYHWXHDLKD-WCQYABFASA-N 1 0 245.326 2.162 10 0 BEAERO c1cc(C[NH2+][C@@H]2COc3ccccc32)c[nH]1 ZINC000085579956 387074420 /nfs/dbraw/zinc/07/44/20/387074420.db2.gz UFENJSWPTMVTLB-GFCCVEGCSA-N 1 0 214.268 2.238 10 0 BEAERO c1cc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c[nH]1 ZINC000228348843 387082786 /nfs/dbraw/zinc/08/27/86/387082786.db2.gz SZNZLRUPQXBAIW-XQQFMLRXSA-N 1 0 220.316 2.062 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000418090399 387097821 /nfs/dbraw/zinc/09/78/21/387097821.db2.gz CMXJJBNMCSWNCR-HRCADAONSA-N 1 0 244.382 2.474 10 0 BEAERO C/C(=C/C[NH3+])c1ccc(Br)cn1 ZINC000575470881 387104944 /nfs/dbraw/zinc/10/49/44/387104944.db2.gz DVAKHGKZFPPYNP-DAXSKMNVSA-N 1 0 227.105 2.206 10 0 BEAERO [NH3+][C@@]1(CC=C(Cl)Cl)CCCOC1 ZINC000575471001 387105900 /nfs/dbraw/zinc/10/59/00/387105900.db2.gz YYZYYUMSYNPUDT-MRVPVSSYSA-N 1 0 210.104 2.203 10 0 BEAERO CC(C)CCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186520394 387106921 /nfs/dbraw/zinc/10/69/21/387106921.db2.gz FGSKSXXKJYOSJD-GFCCVEGCSA-N 1 0 238.375 2.166 10 0 BEAERO COc1ccc(OC)c([C@H]([NH3+])CC(F)F)c1 ZINC000575437464 387107646 /nfs/dbraw/zinc/10/76/46/387107646.db2.gz GGUAZWXNEROOEY-SECBINFHSA-N 1 0 231.242 2.359 10 0 BEAERO [NH3+][C@H](CC(F)F)c1ccc(O)c(F)c1 ZINC000575437635 387109549 /nfs/dbraw/zinc/10/95/49/387109549.db2.gz LAGWQVDQFJTPFK-SSDOTTSWSA-N 1 0 205.179 2.186 10 0 BEAERO COC(=O)c1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575437925 387112018 /nfs/dbraw/zinc/11/20/18/387112018.db2.gz YWZIJSLQKOPAOM-VIFPVBQESA-N 1 0 229.226 2.128 10 0 BEAERO CCOc1cc([C@H]([NH3+])CCF)ccc1O ZINC000575438911 387121989 /nfs/dbraw/zinc/12/19/89/387121989.db2.gz GTHGKBPPUDMRAT-SECBINFHSA-N 1 0 213.252 2.150 10 0 BEAERO CCOc1ccc([C@H]([NH3+])CCF)cc1OC ZINC000575439638 387125963 /nfs/dbraw/zinc/12/59/63/387125963.db2.gz SJULZRCPQAKUAQ-SNVBAGLBSA-N 1 0 227.279 2.453 10 0 BEAERO COc1ccc([C@@H]([NH3+])CCF)c(OC)c1 ZINC000575440144 387127451 /nfs/dbraw/zinc/12/74/51/387127451.db2.gz KIRIGUAZMDWKDV-JTQLQIEISA-N 1 0 213.252 2.063 10 0 BEAERO COc1ccc([C@@H]([NH3+])CCF)c(F)c1 ZINC000575440405 387132436 /nfs/dbraw/zinc/13/24/36/387132436.db2.gz TUYSAZYDNMFXOL-JTQLQIEISA-N 1 0 201.216 2.194 10 0 BEAERO CC(C)(C)[C@@H]1CCc2onc(C[NH3+])c2C1 ZINC000082645076 387154355 /nfs/dbraw/zinc/15/43/55/387154355.db2.gz NHUBHKDDRLTEOI-MRVPVSSYSA-N 1 0 208.305 2.284 10 0 BEAERO C[C@@H]1C[C@H](c2ccccc2)C[C@H](O)[N@@H+]1C ZINC000536949855 387160886 /nfs/dbraw/zinc/16/08/86/387160886.db2.gz GMAAEVUSVBNALE-WXHSDQCUSA-N 1 0 205.301 2.203 10 0 BEAERO CNC(=[NH2+])Nc1cccc(F)c1Cl ZINC000575478228 387160957 /nfs/dbraw/zinc/16/09/57/387160957.db2.gz NKZQXBOKSGCTRR-UHFFFAOYSA-N 1 0 201.632 2.045 10 0 BEAERO CC[C@@H]1C[NH2+]C[C@H]1c1ccccc1OC ZINC000536952112 387165350 /nfs/dbraw/zinc/16/53/50/387165350.db2.gz APVUPRFHLYVFIU-ZYHUDNBSSA-N 1 0 205.301 2.408 10 0 BEAERO CN(C)c1ccc([C@@H]2C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000536956017 387169703 /nfs/dbraw/zinc/16/97/03/387169703.db2.gz SUULOWFOZXNGHD-UBHSHLNASA-N 1 0 216.328 2.076 10 0 BEAERO [NH3+]Cc1cc(Br)cc2cccnc21 ZINC000575442306 387139511 /nfs/dbraw/zinc/13/95/11/387139511.db2.gz VHPSJNULSGHHON-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000252116840 387219942 /nfs/dbraw/zinc/21/99/42/387219942.db2.gz KHTYPFSDARRSGL-VNQPRFMTSA-N 1 0 244.382 2.301 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252688311 387237167 /nfs/dbraw/zinc/23/71/67/387237167.db2.gz NYPGCBXIOMBYGQ-UHTWSYAYSA-N 1 0 233.311 2.277 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000161592713 387247803 /nfs/dbraw/zinc/24/78/03/387247803.db2.gz MJQGFMYPIJEDPP-JTQLQIEISA-N 1 0 214.353 2.056 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000120776479 387268959 /nfs/dbraw/zinc/26/89/59/387268959.db2.gz WDNPOXDAPZBVTM-OLZOCXBDSA-N 1 0 236.363 2.036 10 0 BEAERO CC[C@H]([NH2+]Cc1c(C)cnn1C)C(C)C ZINC000285602334 387274159 /nfs/dbraw/zinc/27/41/59/387274159.db2.gz YGXQXJZUPMEEGM-NSHDSACASA-N 1 0 209.337 2.253 10 0 BEAERO CC[C@H]1CC[N@H+](Cc2ncccc2C(=O)OC)C1 ZINC000302374958 387281127 /nfs/dbraw/zinc/28/11/27/387281127.db2.gz OZARPMNAPHLHJN-NSHDSACASA-N 1 0 248.326 2.100 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)[C@H]1C ZINC000392855859 387292742 /nfs/dbraw/zinc/29/27/42/387292742.db2.gz AXSZXPHYUWLEMK-RXGFPQBGSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000392867396 387294247 /nfs/dbraw/zinc/29/42/47/387294247.db2.gz NTYQOZGBTLJTHR-SDDRHHMPSA-N 1 0 238.375 2.212 10 0 BEAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392908211 387301730 /nfs/dbraw/zinc/30/17/30/387301730.db2.gz YKYMXWBTLUTDOQ-RNJOBUHISA-N 1 0 240.391 2.458 10 0 BEAERO CCC[C@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121475858 387354306 /nfs/dbraw/zinc/35/43/06/387354306.db2.gz KEHQKGMMKQEZHP-UWVGGRQHSA-N 1 0 239.281 2.422 10 0 BEAERO O[C@H]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000575601849 387368696 /nfs/dbraw/zinc/36/86/96/387368696.db2.gz GHEHQDLOWARYEX-IUCAKERBSA-N 1 0 202.257 2.191 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2cc(Br)cs2)C1 ZINC000575507985 387369925 /nfs/dbraw/zinc/36/99/25/387369925.db2.gz JOKIEYNLXJGJTM-BQBZGAKWSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+]C1([C@@H](O)c2cscc2Br)CC1 ZINC000575504730 387370511 /nfs/dbraw/zinc/37/05/11/387370511.db2.gz LTISVLDQCQKVMB-ZETCQYMHSA-N 1 0 248.145 2.035 10 0 BEAERO [NH3+]C1([C@H](O)c2cscc2Br)CC1 ZINC000575504714 387371071 /nfs/dbraw/zinc/37/10/71/387371071.db2.gz LTISVLDQCQKVMB-SSDOTTSWSA-N 1 0 248.145 2.035 10 0 BEAERO N[C@H](c1occc1Br)C1=COCC1 ZINC000575506295 387372512 /nfs/dbraw/zinc/37/25/12/387372512.db2.gz DWQCHEMLRATIRD-QMMMGPOBSA-N 1 0 244.088 2.346 10 0 BEAERO Cc1c(F)c(Br)ccc1C(=[NH2+])NO ZINC000575508325 387378504 /nfs/dbraw/zinc/37/85/04/387378504.db2.gz PPNJKXZOHUVOMR-UHFFFAOYSA-N 1 0 247.067 2.201 10 0 BEAERO CC(C)(CCN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000643463548 387350440 /nfs/dbraw/zinc/35/04/40/387350440.db2.gz CQFMRJXFISWVJJ-CQSZACIVSA-N 1 0 232.371 2.306 10 0 BEAERO C[C@@H]1CS[C@@]2(CCCSCC2)[NH2+]1 ZINC000575518009 387433424 /nfs/dbraw/zinc/43/34/24/387433424.db2.gz JAZWLXJGWSFRCI-RKDXNWHRSA-N 1 0 203.376 2.325 10 0 BEAERO [NH3+]C1CC([C@@H](O)c2ccc(Cl)s2)C1 ZINC000575517770 387434823 /nfs/dbraw/zinc/43/48/23/387434823.db2.gz TZWKARPHQNEONP-GVNUUABZSA-N 1 0 217.721 2.172 10 0 BEAERO CC1(C)[C@H]([NH3+])C[C@@]1(F)c1cncs1 ZINC000575517739 387434950 /nfs/dbraw/zinc/43/49/50/387434950.db2.gz IKAWWHOXEYHPIS-HZGVNTEJSA-N 1 0 200.282 2.065 10 0 BEAERO F[C@@]1(c2cncs2)CCC[NH2+]CC1 ZINC000575518138 387437085 /nfs/dbraw/zinc/43/70/85/387437085.db2.gz LJZRFXCAGDEMPQ-VIFPVBQESA-N 1 0 200.282 2.081 10 0 BEAERO N[C@H](C[NH3+])c1cccc(Oc2ccccc2)c1 ZINC000035677106 387438046 /nfs/dbraw/zinc/43/80/46/387438046.db2.gz GHBHZJDTNBYFHH-CQSZACIVSA-N 1 0 228.295 2.437 10 0 BEAERO CCOc1cc(C[NH3+])c(C)c(OCC)c1 ZINC000575721254 387443626 /nfs/dbraw/zinc/44/36/26/387443626.db2.gz GXEMTICTRSVEMS-UHFFFAOYSA-N 1 0 209.289 2.251 10 0 BEAERO [NH3+][C@H](c1cncs1)[C@H]1CCCS1 ZINC000575514537 387390132 /nfs/dbraw/zinc/39/01/32/387390132.db2.gz KRPBRWAMRFAEOC-SVRRBLITSA-N 1 0 200.332 2.039 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2cccc(Br)c2)C1 ZINC000575508729 387391643 /nfs/dbraw/zinc/39/16/43/387391643.db2.gz OAKUKSVXDBNLPI-ZJUUUORDSA-N 1 0 242.116 2.238 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000083502062 387412638 /nfs/dbraw/zinc/41/26/38/387412638.db2.gz YAUGVNJVVFTFKF-LLVKDONJSA-N 1 0 244.379 2.487 10 0 BEAERO CC(C)(C)CC[NH+]1CCN(CCCF)CC1 ZINC000121809406 387418748 /nfs/dbraw/zinc/41/87/48/387418748.db2.gz MDDOAULDUSOQID-UHFFFAOYSA-N 1 0 230.371 2.400 10 0 BEAERO CC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1nccs1 ZINC000400698000 387511998 /nfs/dbraw/zinc/51/19/98/387511998.db2.gz JNOGJQOYNDEYKS-VWYCJHECSA-N 1 0 239.388 2.182 10 0 BEAERO C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000396694036 387485849 /nfs/dbraw/zinc/48/58/49/387485849.db2.gz IYBFKIZBJQQLPV-QJPTWQEYSA-N 1 0 210.365 2.295 10 0 BEAERO COc1ccccc1/C=C\C[NH2+]C1CC1 ZINC000211421612 387585499 /nfs/dbraw/zinc/58/54/99/387585499.db2.gz VBMIFBGPIXTLSN-XQRVVYSFSA-N 1 0 203.285 2.460 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1ccsc1Br ZINC000575541159 387586011 /nfs/dbraw/zinc/58/60/11/387586011.db2.gz BLVZGMIQNCKDBP-PHDIDXHHSA-N 1 0 218.119 2.325 10 0 BEAERO C[NH2+][C@@H]1COc2c1c(C)ccc2Br ZINC000575543248 387591825 /nfs/dbraw/zinc/59/18/25/387591825.db2.gz VSCJOVNPBNGFNE-MRVPVSSYSA-N 1 0 242.116 2.410 10 0 BEAERO Cc1cc(C)n2c(C[N@H+](C)CC3CC3)cnc2n1 ZINC000122918062 387616613 /nfs/dbraw/zinc/61/66/13/387616613.db2.gz IPCDNAYLYJHBFP-UHFFFAOYSA-N 1 0 244.342 2.188 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000124536073 387620046 /nfs/dbraw/zinc/62/00/46/387620046.db2.gz KMHYOVZPJHRSBB-GZMMTYOYSA-N 1 0 238.356 2.125 10 0 BEAERO COC[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124580919 387622776 /nfs/dbraw/zinc/62/27/76/387622776.db2.gz BQEUDUGSBOMBDB-FQUUOJAGSA-N 1 0 241.375 2.037 10 0 BEAERO C[C@H]1OCC[C@]1([NH3+])CC=C(Cl)Cl ZINC000575531563 387549055 /nfs/dbraw/zinc/54/90/55/387549055.db2.gz PUZCTQFOKNGQMT-HTRCEHHLSA-N 1 0 210.104 2.202 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399550352 387553761 /nfs/dbraw/zinc/55/37/61/387553761.db2.gz ZHNQBSACYBEYMP-REWJHTLYSA-N 1 0 243.391 2.140 10 0 BEAERO CC[C@H](CO)[NH2+]C1CC(c2ccccc2F)C1 ZINC000036844566 387555800 /nfs/dbraw/zinc/55/58/00/387555800.db2.gz ZDZLQYBSFDWVQH-MOENNCHZSA-N 1 0 237.318 2.432 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1CC ZINC000399703831 387565373 /nfs/dbraw/zinc/56/53/73/387565373.db2.gz WUOFXZMNBFTLGT-MGPQQGTHSA-N 1 0 243.391 2.284 10 0 BEAERO Br/C=C/CC1CC[NH2+]CC1 ZINC000575545316 387628053 /nfs/dbraw/zinc/62/80/53/387628053.db2.gz KLMXOJPVOVYSPK-ORCRQEGFSA-N 1 0 204.111 2.285 10 0 BEAERO C[C@H]1Oc2c(ccc(F)c2Br)[C@H]1[NH3+] ZINC000575547396 387639999 /nfs/dbraw/zinc/63/99/99/387639999.db2.gz ZFLLGBLNEBTUDJ-VHWMUFPASA-N 1 0 246.079 2.369 10 0 BEAERO [NH3+]C1(c2cc(F)ccc2Cl)CSC1 ZINC000575550391 387643421 /nfs/dbraw/zinc/64/34/21/387643421.db2.gz UFBJYMHSAQEIHR-UHFFFAOYSA-N 1 0 217.696 2.380 10 0 BEAERO [NH3+]C1(Cc2coc(Br)c2)CSC1 ZINC000575548206 387643527 /nfs/dbraw/zinc/64/35/27/387643527.db2.gz CDWWHNQVOIYFBF-UHFFFAOYSA-N 1 0 248.145 2.029 10 0 BEAERO c1cn(CCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)nn1 ZINC000126646585 387692632 /nfs/dbraw/zinc/69/26/32/387692632.db2.gz RVTKPVOMKKFELF-KBPBESRZSA-N 1 0 248.374 2.227 10 0 BEAERO Cc1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)o1 ZINC000128404362 387744081 /nfs/dbraw/zinc/74/40/81/387744081.db2.gz JJMVSTBDYXZBBQ-LBPRGKRZSA-N 1 0 245.326 2.311 10 0 BEAERO C[C@H]1CC[C@]([NH3+])(c2cncs2)CS1 ZINC000575571852 387745905 /nfs/dbraw/zinc/74/59/05/387745905.db2.gz PJDQOHYYRHKXJM-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1OCC[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000575560692 387697773 /nfs/dbraw/zinc/69/77/73/387697773.db2.gz LKZHTBPBOVNCGZ-RCOVLWMOSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H]1CS[C@H](c2ccncc2Cl)N1 ZINC000575557451 387699839 /nfs/dbraw/zinc/69/98/39/387699839.db2.gz UOQOFEGMZFVVKM-IMTBSYHQSA-N 1 0 214.721 2.459 10 0 BEAERO C[C@@H]1CSC[C@]1([NH3+])Cc1cccs1 ZINC000575561886 387701938 /nfs/dbraw/zinc/70/19/38/387701938.db2.gz VDOLUJDQDHGMOJ-PSASIEDQSA-N 1 0 213.371 2.371 10 0 BEAERO C[C@H]1N(Cc2ccccc2)CC[C@@]1([NH3+])C1CC1 ZINC000575568788 387730709 /nfs/dbraw/zinc/73/07/09/387730709.db2.gz OGUWHMQSYNAZPZ-DOMZBBRYSA-N 1 0 230.355 2.388 10 0 BEAERO C[C@H]1CC[C@@]([NH3+])(c2ccns2)CS1 ZINC000575567812 387736679 /nfs/dbraw/zinc/73/66/79/387736679.db2.gz AGLAWHSYLLZHLI-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(c2ccns2)CS1 ZINC000575567817 387736735 /nfs/dbraw/zinc/73/67/35/387736735.db2.gz AGLAWHSYLLZHLI-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1COC[C@]1([NH3+])c1ccc(Cl)s1 ZINC000575570542 387739091 /nfs/dbraw/zinc/73/90/91/387739091.db2.gz KOAFXEJPUSMCRN-HZGVNTEJSA-N 1 0 217.721 2.222 10 0 BEAERO Cc1cc(C)cc(NC2CC[NH2+]CC2)c1 ZINC000038040587 177907852 /nfs/dbraw/zinc/90/78/52/177907852.db2.gz CXCOURGHAVEVEI-UHFFFAOYSA-N 1 0 204.317 2.467 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050393725 387793801 /nfs/dbraw/zinc/79/38/01/387793801.db2.gz IUWSHCKIAABVDD-SMDDNHRTSA-N 1 0 246.354 2.178 10 0 BEAERO CCc1ccc(C[NH2+]CCn2cc(C)cn2)o1 ZINC000133091115 387798253 /nfs/dbraw/zinc/79/82/53/387798253.db2.gz GHBFZIVKRABKLC-UHFFFAOYSA-N 1 0 233.315 2.137 10 0 BEAERO C[C@H]([NH2+]Cc1nccn1C)C1CCCCC1 ZINC000052334150 387804216 /nfs/dbraw/zinc/80/42/16/387804216.db2.gz XKWHNGNNOKMKIC-NSHDSACASA-N 1 0 221.348 2.479 10 0 BEAERO C[C@H]1CC[C@]([NH3+])(c2ccsn2)CS1 ZINC000575573658 387758032 /nfs/dbraw/zinc/75/80/32/387758032.db2.gz ZAKFPCHRQFPLBQ-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1ccnc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000061859105 387847570 /nfs/dbraw/zinc/84/75/70/387847570.db2.gz WZLJEGTYFFOSDC-YHWZYXNKSA-N 1 0 246.358 2.070 10 0 BEAERO Cc1ncc(C[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000062337299 387853694 /nfs/dbraw/zinc/85/36/94/387853694.db2.gz PYWKIBSICADPAH-LLVKDONJSA-N 1 0 240.372 2.188 10 0 BEAERO CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)CO)c1 ZINC000134982326 387815858 /nfs/dbraw/zinc/81/58/58/387815858.db2.gz ALWVDZCXJHDFKK-NEPJUHHUSA-N 1 0 237.343 2.192 10 0 BEAERO CCOc1cc(N[C@@H]2CC[NH2+]C2)ccc1C ZINC000423113106 387896630 /nfs/dbraw/zinc/89/66/30/387896630.db2.gz YKWHZGRBUFBSMR-GFCCVEGCSA-N 1 0 220.316 2.168 10 0 BEAERO C[NH2+][C@H]1CCSc2c(OC)cccc21 ZINC000041030799 387887934 /nfs/dbraw/zinc/88/79/34/387887934.db2.gz RTYBJAAGSRAFNZ-VIFPVBQESA-N 1 0 209.314 2.452 10 0 BEAERO c1ccc2c(c1)ccnc2NCC[NH2+]C1CC1 ZINC000168718951 387904868 /nfs/dbraw/zinc/90/48/68/387904868.db2.gz HIGHDYXXYMNXDJ-UHFFFAOYSA-N 1 0 227.311 2.399 10 0 BEAERO [NH3+][C@@H](Cc1cccs1)c1ccccn1 ZINC000053816991 387915548 /nfs/dbraw/zinc/91/55/48/387915548.db2.gz UWALIAKJLWFZHV-JTQLQIEISA-N 1 0 204.298 2.386 10 0 BEAERO Cc1cc(C)c(C(=O)N(C)C[C@H](C)C[NH3+])c(C)c1 ZINC000042455081 177840560 /nfs/dbraw/zinc/84/05/60/177840560.db2.gz XZUFFUPFXDRDQV-LLVKDONJSA-N 1 0 248.370 2.279 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000245593817 387963108 /nfs/dbraw/zinc/96/31/08/387963108.db2.gz BEYVFLZKNSLJGV-STQMWFEESA-N 1 0 221.348 2.394 10 0 BEAERO Cc1cccc(C[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000080961113 388003523 /nfs/dbraw/zinc/00/35/23/388003523.db2.gz PNHMCLINPPMJOT-CQSZACIVSA-N 1 0 234.343 2.127 10 0 BEAERO CC(C)(C)OC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000082609841 388037043 /nfs/dbraw/zinc/03/70/43/388037043.db2.gz RSZAJDMSCKVLQG-LLVKDONJSA-N 1 0 240.347 2.092 10 0 BEAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000246303084 388029247 /nfs/dbraw/zinc/02/92/47/388029247.db2.gz VMCCPKGBKCRJMM-KCQAQPDRSA-N 1 0 247.386 2.461 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccnc1 ZINC000083704992 388060595 /nfs/dbraw/zinc/06/05/95/388060595.db2.gz JHEBYCNPQKMHEU-UKRRQHHQSA-N 1 0 245.370 2.140 10 0 BEAERO Cc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084228119 388075121 /nfs/dbraw/zinc/07/51/21/388075121.db2.gz BPFWZANVUHDMJP-ZIAGYGMSSA-N 1 0 219.328 2.246 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000195182604 388115535 /nfs/dbraw/zinc/11/55/35/388115535.db2.gz FRPALANTCPYEMF-STQMWFEESA-N 1 0 243.391 2.284 10 0 BEAERO Cc1cc(C)c(C)c([C@@H](O)[C@@H](C)[NH3+])c1C ZINC000071510747 388095931 /nfs/dbraw/zinc/09/59/31/388095931.db2.gz VHYBPWKHGQEMRG-YPMHNXCESA-N 1 0 207.317 2.301 10 0 BEAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000071522141 388096876 /nfs/dbraw/zinc/09/68/76/388096876.db2.gz MBEDDSTWDAYQMU-BDAKNGLRSA-N 1 0 219.737 2.418 10 0 BEAERO CCn1c(C)nnc1C[N@H+](CC)C1CCCC1 ZINC000195082600 388097223 /nfs/dbraw/zinc/09/72/23/388097223.db2.gz WKDQTWBFUAFLPQ-UHFFFAOYSA-N 1 0 236.363 2.371 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000119072742 388103284 /nfs/dbraw/zinc/10/32/84/388103284.db2.gz MBQGVRIVHPAJON-PWSUYJOCSA-N 1 0 242.388 2.339 10 0 BEAERO Cc1cccc(C2CC([NH2+]C[C@H](C)CO)C2)c1 ZINC000086624357 388104639 /nfs/dbraw/zinc/10/46/39/388104639.db2.gz WLQFBHUYYUANNP-GRTSSRMGSA-N 1 0 233.355 2.459 10 0 BEAERO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CC1CC1 ZINC000086929426 388111637 /nfs/dbraw/zinc/11/16/37/388111637.db2.gz CMPTWQXDHNFCLT-UONOGXRCSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cncs1 ZINC000164043858 388138534 /nfs/dbraw/zinc/13/85/34/388138534.db2.gz IZCZVNFQYXZTBH-PSASIEDQSA-N 1 0 228.361 2.201 10 0 BEAERO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)nn1 ZINC000646089166 388139798 /nfs/dbraw/zinc/13/97/98/388139798.db2.gz JSRFPHVRDNUMKQ-CYZMBNFOSA-N 1 0 234.347 2.137 10 0 BEAERO O=C(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Nc1ccccc1 ZINC000646093287 388140866 /nfs/dbraw/zinc/14/08/66/388140866.db2.gz ZPKCXUXXTNFZGV-IACUBPJLSA-N 1 0 244.338 2.403 10 0 BEAERO CCC[C@@H]1[NH2+]CC[C@H](C)[S@](=O)[C@H]1CC ZINC000251201694 388254817 /nfs/dbraw/zinc/25/48/17/388254817.db2.gz VLLGXMHTKGLYGG-RMIALFOJSA-N 1 0 217.378 2.064 10 0 BEAERO C[C@@H]([NH3+])CCNCc1ccsc1Cl ZINC000312742309 256528068 /nfs/dbraw/zinc/52/80/68/256528068.db2.gz HDWMBHOYEPULND-SSDOTTSWSA-N 1 0 218.753 2.228 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)nc1 ZINC000087782222 256573513 /nfs/dbraw/zinc/57/35/13/256573513.db2.gz CBXPNKHTSAGPLS-AAEUAGOBSA-N 1 0 220.316 2.047 10 0 BEAERO CCN1CCC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000233484021 388347638 /nfs/dbraw/zinc/34/76/38/388347638.db2.gz WTFSSGLHUNOCBB-MOKVOYLWSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1nsc([C@@]2([NH3+])CCC[C@@H](C)C2)n1 ZINC000307303033 388389956 /nfs/dbraw/zinc/38/99/56/388389956.db2.gz FOUMACPHNXICBC-GMSGAONNSA-N 1 0 211.334 2.211 10 0 BEAERO C[C@H](N[C@@H]1CSC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000393852982 388444145 /nfs/dbraw/zinc/44/41/45/388444145.db2.gz OICIYLBQWSZNIZ-GARJFASQSA-N 1 0 228.405 2.001 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)C ZINC000042944583 388446640 /nfs/dbraw/zinc/44/66/40/388446640.db2.gz QTPXZKPCJBDDKS-LDYMZIIASA-N 1 0 212.724 2.290 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1c1nc(C(C)(C)C)no1 ZINC000335456191 388450951 /nfs/dbraw/zinc/45/09/51/388450951.db2.gz JPCHNWMYTUMBDN-BDAKNGLRSA-N 1 0 223.320 2.223 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000295130103 388408818 /nfs/dbraw/zinc/40/88/18/388408818.db2.gz YINOMVVUPVXFKV-MFKMUULPSA-N 1 0 223.291 2.171 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ncnc2ccsc21 ZINC000165745659 388410129 /nfs/dbraw/zinc/41/01/29/388410129.db2.gz AMZKFEBRRFHONL-JGVFFNPUSA-N 1 0 236.344 2.229 10 0 BEAERO C[C@@H]1[C@@H](O)CCCN1Cc1cccc(Cl)n1 ZINC000296405056 388422631 /nfs/dbraw/zinc/42/26/31/388422631.db2.gz UYZZRYWMKIYNPV-KOLCDFICSA-N 1 0 240.734 2.080 10 0 BEAERO CCCc1nc2ccccc2n1C[C@H](C)[NH3+] ZINC000166337335 388425319 /nfs/dbraw/zinc/42/53/19/388425319.db2.gz IIPNAHGVGIQLES-JTQLQIEISA-N 1 0 217.316 2.336 10 0 BEAERO COC1(C[NH2+]C[C@@H]2CCCC[C@@H]2O)CCCC1 ZINC000336886904 388427286 /nfs/dbraw/zinc/42/72/86/388427286.db2.gz CKCJCIGIDMTNFD-STQMWFEESA-N 1 0 241.375 2.086 10 0 BEAERO CC(C)c1nnc(NCC(C)(C)[NH+](C)C)s1 ZINC000134868724 388479864 /nfs/dbraw/zinc/47/98/64/388479864.db2.gz DKMYJJSENAZFLF-UHFFFAOYSA-N 1 0 242.392 2.414 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC000528520188 388540569 /nfs/dbraw/zinc/54/05/69/388540569.db2.gz NRIVTVBRIYVMCV-PWSUYJOCSA-N 1 0 211.349 2.268 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)[C@H]1CC1(C)C ZINC000397683081 388489709 /nfs/dbraw/zinc/48/97/09/388489709.db2.gz MLZZDDALAYEDRD-TUAOUCFPSA-N 1 0 240.391 2.268 10 0 BEAERO CO[C@H]1C[C@H](CO)[N@H+](CCC2CCCCC2)C1 ZINC000343952467 388503333 /nfs/dbraw/zinc/50/33/33/388503333.db2.gz JVWWTUNCENADLK-KGLIPLIRSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@H]1O ZINC000346959900 388522600 /nfs/dbraw/zinc/52/26/00/388522600.db2.gz CSDDRYUWDXLVQG-OSAQELSMSA-N 1 0 231.339 2.029 10 0 BEAERO Cc1ccc2ccnc(NCCC[NH3+])c2c1 ZINC000082765884 388587843 /nfs/dbraw/zinc/58/78/43/388587843.db2.gz PFDPTFNVDMQXBW-UHFFFAOYSA-N 1 0 215.300 2.304 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000245546899 388588773 /nfs/dbraw/zinc/58/87/73/388588773.db2.gz WUNMHMOMIAGRBW-XQQFMLRXSA-N 1 0 212.381 2.351 10 0 BEAERO CN(Cc1ccccc1)[C@@H]1CCCC[NH2+]C1 ZINC000054134903 388593381 /nfs/dbraw/zinc/59/33/81/388593381.db2.gz XOYMABRSPJRUTH-CQSZACIVSA-N 1 0 218.344 2.261 10 0 BEAERO C[C@](O)(C[NH3+])c1ccc(Cl)cc1Cl ZINC000055032624 388596141 /nfs/dbraw/zinc/59/61/41/388596141.db2.gz UMWHFQTUKCKDSH-VIFPVBQESA-N 1 0 220.099 2.160 10 0 BEAERO CC[C@@H](C)[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000107090551 388599231 /nfs/dbraw/zinc/59/92/31/388599231.db2.gz CEOFDGBRMUSCDU-MNOVXSKESA-N 1 0 242.363 2.241 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218874337 256852382 /nfs/dbraw/zinc/85/23/82/256852382.db2.gz ACQNEANOMBZIEG-WDEREUQCSA-N 1 0 242.363 2.241 10 0 BEAERO C[C@H]([N@H+](C)C[C@@H](O)COC(C)(C)C)C1(C)CC1 ZINC000245861612 388607794 /nfs/dbraw/zinc/60/77/94/388607794.db2.gz CDSVQLXJUKHCHH-NWDGAFQWSA-N 1 0 243.391 2.283 10 0 BEAERO [NH3+][C@H]1CCc2ccccc2N[C@@H]1OC(F)(F)F ZINC000521399919 256863157 /nfs/dbraw/zinc/86/31/57/256863157.db2.gz CARBKHQRJKPUBY-WCBMZHEXSA-N 1 0 246.232 2.235 10 0 BEAERO C[C@@H](C[N@@H+]1CC[C@@H](CCO)C1)c1ccccc1 ZINC000357836090 388553499 /nfs/dbraw/zinc/55/34/99/388553499.db2.gz JECWUJWJFCJNGM-KBPBESRZSA-N 1 0 233.355 2.494 10 0 BEAERO CCCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245421712 388577988 /nfs/dbraw/zinc/57/79/88/388577988.db2.gz ICICYQRKRQMHNS-OLZOCXBDSA-N 1 0 210.365 2.345 10 0 BEAERO CN(CC1CCCC1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000104363696 388582346 /nfs/dbraw/zinc/58/23/46/388582346.db2.gz DTLMDZXPPMBHQJ-ZDUSSCGKSA-N 1 0 238.375 2.025 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC000124707136 388665793 /nfs/dbraw/zinc/66/57/93/388665793.db2.gz DCRQAWDEEQNBIU-RYUDHWBXSA-N 1 0 221.348 2.479 10 0 BEAERO CC1(C)[C@@H]([NH2+][C@H]2CCCSC2)[C@@H]2CCO[C@@H]21 ZINC000224708415 388669253 /nfs/dbraw/zinc/66/92/53/388669253.db2.gz LXYPTTHQSVDWMN-BJDJZHNGSA-N 1 0 241.400 2.285 10 0 BEAERO C[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1F ZINC000125625062 388672995 /nfs/dbraw/zinc/67/29/95/388672995.db2.gz QFCBGUNAKYNFRN-LLVKDONJSA-N 1 0 248.305 2.158 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]CCCn2ccnn2)c1 ZINC000125601377 388673889 /nfs/dbraw/zinc/67/38/89/388673889.db2.gz UTRGIOKTXNDCNO-CYBMUJFWSA-N 1 0 244.342 2.327 10 0 BEAERO CCc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)s1 ZINC000125719384 388675541 /nfs/dbraw/zinc/67/55/41/388675541.db2.gz FENNBVZBVNRPNJ-ZJUUUORDSA-N 1 0 227.373 2.417 10 0 BEAERO [NH3+][C@@H](CC(F)F)c1cccc2c1OCO2 ZINC000575437696 388621639 /nfs/dbraw/zinc/62/16/39/388621639.db2.gz OZXCIJXZDVFYSY-ZETCQYMHSA-N 1 0 215.199 2.070 10 0 BEAERO CC1CCC(C[N@@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000189087816 388621756 /nfs/dbraw/zinc/62/17/56/388621756.db2.gz CZBSALLYHCBISN-OTTFEQOBSA-N 1 0 238.375 2.023 10 0 BEAERO COc1ccc(F)c([C@H]([NH3+])CCF)c1F ZINC000575438170 388622827 /nfs/dbraw/zinc/62/28/27/388622827.db2.gz GLPWDAOQVWKRLX-SSDOTTSWSA-N 1 0 219.206 2.333 10 0 BEAERO C[C@@H](O)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127936613 388734125 /nfs/dbraw/zinc/73/41/25/388734125.db2.gz HZZWJUGNHBNDIQ-WDEREUQCSA-N 1 0 225.307 2.290 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2CCc3nccn3C2)o1 ZINC000328626510 388739465 /nfs/dbraw/zinc/73/94/65/388739465.db2.gz FDVYFNRCHALUMJ-LBPRGKRZSA-N 1 0 245.326 2.137 10 0 BEAERO Cc1ccc(C[NH2+]C[C@H]2CCc3nccn3C2)o1 ZINC000328626508 388739885 /nfs/dbraw/zinc/73/98/85/388739885.db2.gz FDVYFNRCHALUMJ-GFCCVEGCSA-N 1 0 245.326 2.137 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000248644842 388687835 /nfs/dbraw/zinc/68/78/35/388687835.db2.gz FRPALANTCPYEMF-OLZOCXBDSA-N 1 0 243.391 2.284 10 0 BEAERO CC[N@H+](C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000126250301 388692457 /nfs/dbraw/zinc/69/24/57/388692457.db2.gz REQCSMXLMKEMRE-JTQLQIEISA-N 1 0 235.327 2.470 10 0 BEAERO CC[C@H]([NH2+]Cc1cccc(C)n1)[C@@H]1CCOC1 ZINC000127298454 388719986 /nfs/dbraw/zinc/71/99/86/388719986.db2.gz BYOYQVJYUBHVRH-OCCSQVGLSA-N 1 0 234.343 2.295 10 0 BEAERO CCC[C@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000249404939 388720617 /nfs/dbraw/zinc/72/06/17/388720617.db2.gz WGVPJGOYCWNLBP-NWDGAFQWSA-N 1 0 221.348 2.398 10 0 BEAERO CCC[C@@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000249404941 388720935 /nfs/dbraw/zinc/72/09/35/388720935.db2.gz WGVPJGOYCWNLBP-VXGBXAGGSA-N 1 0 221.348 2.398 10 0 BEAERO CCC[C@H](C)[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000249414052 388721107 /nfs/dbraw/zinc/72/11/07/388721107.db2.gz YPXUAGDBBKIPMY-KBPBESRZSA-N 1 0 242.407 2.218 10 0 BEAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000253137333 388804528 /nfs/dbraw/zinc/80/45/28/388804528.db2.gz UDIWHNDBKLQGCV-FDYHWXHSSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])CN1C/C(Cl)=C/Cl ZINC000575480086 388862209 /nfs/dbraw/zinc/86/22/09/388862209.db2.gz GZNXSYHLRORWIV-NMTTVDAISA-N 1 0 223.147 2.117 10 0 BEAERO C[C@@H]([NH3+])c1nc(C2(Cl)CC2)cs1 ZINC000575502406 388990482 /nfs/dbraw/zinc/99/04/82/388990482.db2.gz WONVKZXZPRHKHF-RXMQYKEDSA-N 1 0 202.710 2.391 10 0 BEAERO CC[C@@H]1CCCN(c2cc(C[NH3+])ccn2)C1 ZINC000036168544 132340374 /nfs/dbraw/zinc/34/03/74/132340374.db2.gz VAQOYVRKEXUHDO-LLVKDONJSA-N 1 0 219.332 2.167 10 0 BEAERO Cc1ccc2c(c1)CCCN2C[C@H](C)C[NH3+] ZINC000036986766 132343382 /nfs/dbraw/zinc/34/33/82/132343382.db2.gz AAMQVKSDIAETMO-GFCCVEGCSA-N 1 0 218.344 2.342 10 0 BEAERO [NH3+]C1CCN(c2ccc(Cl)c(F)c2)CC1 ZINC000042580671 132352534 /nfs/dbraw/zinc/35/25/34/132352534.db2.gz BQVYRNLQMYNGIR-UHFFFAOYSA-N 1 0 228.698 2.407 10 0 BEAERO CCC1CCN(c2ccnc(C[NH3+])c2)CC1 ZINC000051398146 132360492 /nfs/dbraw/zinc/36/04/92/132360492.db2.gz XASVZHXOCZELQJ-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO CC[C@H]1CN(c2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000083087818 132420222 /nfs/dbraw/zinc/42/02/22/132420222.db2.gz QTGDAYFZKDFFOE-PWSUYJOCSA-N 1 0 222.307 2.402 10 0 BEAERO C(OC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCO1 ZINC000179565043 533372897 /nfs/dbraw/zinc/37/28/97/533372897.db2.gz CBUVWPPBWMPSFV-AWEZNQCLSA-N 1 0 239.359 2.199 10 0 BEAERO COc1cccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400721498 533619845 /nfs/dbraw/zinc/61/98/45/533619845.db2.gz GUFPVPFJMQRLMD-WDEREUQCSA-N 1 0 220.316 2.105 10 0 BEAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000084445953 322835261 /nfs/dbraw/zinc/83/52/61/322835261.db2.gz JNODKUZHOOEWAI-LQVBTDEGSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1ccccc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000084446015 322835337 /nfs/dbraw/zinc/83/53/37/322835337.db2.gz MTLNMLQNASSTGJ-PNESKVBLSA-N 1 0 219.328 2.417 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc(N2CCCCC2)nc1C ZINC000054962930 132300466 /nfs/dbraw/zinc/30/04/66/132300466.db2.gz YZRSVNSURHIRAF-NSHDSACASA-N 1 0 248.374 2.446 10 0 BEAERO CCCCOc1ccccc1N1CC[NH2+]CC1 ZINC000025997855 132311977 /nfs/dbraw/zinc/31/19/77/132311977.db2.gz YNPHKRWUIFAKLL-UHFFFAOYSA-N 1 0 234.343 2.275 10 0 in-vivo BEAERO CCc1ccccc1N1CC[NH2+]C[C@H]1C ZINC000016944932 132323576 /nfs/dbraw/zinc/32/35/76/132323576.db2.gz VKJBYRAUWANVHW-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO Cc1cccc(N2CC[NH2+]C[C@H]2C)c1C ZINC000016944966 132323706 /nfs/dbraw/zinc/32/37/06/132323706.db2.gz UFLFECLOWACYMM-LLVKDONJSA-N 1 0 204.317 2.102 10 0 BEAERO Cc1cc(F)ccc1N1CCC([NH3+])CC1 ZINC000019437874 132325251 /nfs/dbraw/zinc/32/52/51/132325251.db2.gz QZKDSBTYCVCLHT-UHFFFAOYSA-N 1 0 208.280 2.062 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000019872089 132328595 /nfs/dbraw/zinc/32/85/95/132328595.db2.gz ITHSDFMIMRDPLW-GRYCIOLGSA-N 1 0 234.343 2.320 10 0 BEAERO C[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC000020072343 132329340 /nfs/dbraw/zinc/32/93/40/132329340.db2.gz JRUUJLWIIZFITI-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO Cc1ccc2c(c1)CCCN2C[C@@H]1CCC[NH2+]1 ZINC000020074089 132329386 /nfs/dbraw/zinc/32/93/86/132329386.db2.gz QJFURCILYCZASW-AWEZNQCLSA-N 1 0 230.355 2.500 10 0 BEAERO CC(C)CC[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265198 132330403 /nfs/dbraw/zinc/33/04/03/132330403.db2.gz PPCSVHGFSCWVJK-UHFFFAOYSA-N 1 0 247.386 2.437 10 0 BEAERO Cc1ccc2c(c1)CCCN2CC[C@@H](C)[NH3+] ZINC000020429216 132331383 /nfs/dbraw/zinc/33/13/83/132331383.db2.gz BKCTZUHZXCGFTA-GFCCVEGCSA-N 1 0 218.344 2.485 10 0 BEAERO [NH3+]Cc1c(Cl)cccc1N1CCSCC1 ZINC000020469779 132331667 /nfs/dbraw/zinc/33/16/67/132331667.db2.gz IPVYYOPMZTUGJQ-UHFFFAOYSA-N 1 0 242.775 2.352 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(c2ncccc2C[NH3+])C1 ZINC000022169119 132332489 /nfs/dbraw/zinc/33/24/89/132332489.db2.gz JTSAUHPRADRHPT-GHMZBOCLSA-N 1 0 219.332 2.023 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2cc(C[NH3+])ccn2)C1 ZINC000022177912 132332572 /nfs/dbraw/zinc/33/25/72/132332572.db2.gz YPNFUJBLMGXPRM-PHIMTYICSA-N 1 0 219.332 2.023 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2cc(C[NH3+])ccn2)C1 ZINC000022177916 132332593 /nfs/dbraw/zinc/33/25/93/132332593.db2.gz YPNFUJBLMGXPRM-QWRGUYRKSA-N 1 0 219.332 2.023 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1cccc(Cl)c1 ZINC000033606561 132336128 /nfs/dbraw/zinc/33/61/28/132336128.db2.gz KPPRCTGPPHBIJY-VIFPVBQESA-N 1 0 210.708 2.138 10 0 BEAERO CCC[NH2+]Cc1ccccc1N1CCOC[C@H]1C ZINC000035777778 132339428 /nfs/dbraw/zinc/33/94/28/132339428.db2.gz WIGBQIFIRIJUBU-CYBMUJFWSA-N 1 0 248.370 2.411 10 0 BEAERO C[NH2+]Cc1ccccc1N1C[C@H](C)OC[C@H]1C ZINC000035788529 132339570 /nfs/dbraw/zinc/33/95/70/132339570.db2.gz SORGNGBJSMBQET-NEPJUHHUSA-N 1 0 234.343 2.020 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1C[C@H](C)OC[C@H]1C ZINC000035786977 132339605 /nfs/dbraw/zinc/33/96/05/132339605.db2.gz QTVAYPQZRSHXET-GRYCIOLGSA-N 1 0 234.343 2.320 10 0 BEAERO CC[C@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000036168937 132340215 /nfs/dbraw/zinc/34/02/15/132340215.db2.gz AAQMEENADUUIDQ-JTQLQIEISA-N 1 0 205.305 2.290 10 0 BEAERO CC[C@@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000036168936 132340272 /nfs/dbraw/zinc/34/02/72/132340272.db2.gz AAQMEENADUUIDQ-SNVBAGLBSA-N 1 0 205.305 2.290 10 0 BEAERO C[NH+](C)C1CCN(c2ccc(C=O)cc2)CC1 ZINC000036192465 132340637 /nfs/dbraw/zinc/34/06/37/132340637.db2.gz CIKUHJXXOALLSF-UHFFFAOYSA-N 1 0 232.327 2.030 10 0 BEAERO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)[nH+]cc1N ZINC000036250774 132341301 /nfs/dbraw/zinc/34/13/01/132341301.db2.gz CSFPBSALLCKZIN-NXEZZACHSA-N 1 0 219.332 2.455 10 0 BEAERO Cc1cc(N2C[C@H](C)C[C@H](C)C2)[nH+]cc1N ZINC000036250768 132341402 /nfs/dbraw/zinc/34/14/02/132341402.db2.gz CSFPBSALLCKZIN-AOOOYVTPSA-N 1 0 219.332 2.455 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090060 132343622 /nfs/dbraw/zinc/34/36/22/132343622.db2.gz BZHKFOXCUQGGBK-QWHCGFSZSA-N 1 0 248.374 2.081 10 0 BEAERO CCc1ccc(N2CCC([NH2+]C)CC2)cc1 ZINC000037241546 132343844 /nfs/dbraw/zinc/34/38/44/132343844.db2.gz MFGVLWXOSNPIKM-UHFFFAOYSA-N 1 0 218.344 2.437 10 0 BEAERO C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000037241510 132343998 /nfs/dbraw/zinc/34/39/98/132343998.db2.gz HMUXIQXLOAUNIE-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO COC1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000037266448 132344152 /nfs/dbraw/zinc/34/41/52/132344152.db2.gz QYZHSIOWLMNFMV-LLVKDONJSA-N 1 0 234.343 2.322 10 0 BEAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)C1CC1 ZINC000037259673 132344291 /nfs/dbraw/zinc/34/42/91/132344291.db2.gz XIJKYBJRCUTBMO-MFKMUULPSA-N 1 0 244.338 2.482 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCCC[C@H]2C)n1 ZINC000043395449 132352882 /nfs/dbraw/zinc/35/28/82/132352882.db2.gz QEODFXCZWBMAIT-LLVKDONJSA-N 1 0 219.332 2.228 10 0 BEAERO Cc1cc(C)cc(N2CCC[C@@H]([NH3+])C2)c1 ZINC000043470469 132353149 /nfs/dbraw/zinc/35/31/49/132353149.db2.gz BGZSTDWRCHDHMO-GFCCVEGCSA-N 1 0 204.317 2.231 10 0 BEAERO Cc1cc(C)cc(N2CCC[C@H]([NH3+])C2)c1 ZINC000043470467 132353208 /nfs/dbraw/zinc/35/32/08/132353208.db2.gz BGZSTDWRCHDHMO-LBPRGKRZSA-N 1 0 204.317 2.231 10 0 BEAERO C[C@H]1CN(c2cccc3ncccc32)CC[C@@H]1[NH3+] ZINC000049707482 132356707 /nfs/dbraw/zinc/35/67/07/132356707.db2.gz WRSKEXGQPLDQSR-AAEUAGOBSA-N 1 0 241.338 2.408 10 0 BEAERO CCOc1ccccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049708160 132356944 /nfs/dbraw/zinc/35/69/44/132356944.db2.gz GVCXCUZBHRLJTK-NEPJUHHUSA-N 1 0 234.343 2.259 10 0 BEAERO Cc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1C ZINC000049709265 132357367 /nfs/dbraw/zinc/35/73/67/132357367.db2.gz STFRIWQVSRNLFX-OCCSQVGLSA-N 1 0 218.344 2.477 10 0 BEAERO Cc1ccc(F)c(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049710061 132357475 /nfs/dbraw/zinc/35/74/75/132357475.db2.gz PEFAJZOOPHEOFN-PWSUYJOCSA-N 1 0 222.307 2.308 10 0 BEAERO Cc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c(F)c1 ZINC000049710030 132357479 /nfs/dbraw/zinc/35/74/79/132357479.db2.gz QUPNYNNMJKJDTQ-ZYHUDNBSSA-N 1 0 222.307 2.308 10 0 BEAERO Cc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049709894 132357489 /nfs/dbraw/zinc/35/74/89/132357489.db2.gz KHSTUIVPCKBEDK-NWDGAFQWSA-N 1 0 204.317 2.311 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2COC)C[C@@H]1C ZINC000049713792 132357830 /nfs/dbraw/zinc/35/78/30/132357830.db2.gz YJXMNQIOALPYQO-JSGCOSHPSA-N 1 0 248.370 2.267 10 0 BEAERO COCc1ccccc1N1CC[C@@H]([NH3+])C[C@H]1C ZINC000049713799 132357918 /nfs/dbraw/zinc/35/79/18/132357918.db2.gz JRPZDJPHNJTAOK-DGCLKSJQSA-N 1 0 234.343 2.149 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1c1ncccc1C[NH3+] ZINC000050562855 132359106 /nfs/dbraw/zinc/35/91/06/132359106.db2.gz AERQDUOJRDOIRT-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO C[NH2+]Cc1ccc(N2CCC[C@@H](C)[C@H]2C)nc1 ZINC000051398387 132360380 /nfs/dbraw/zinc/36/03/80/132360380.db2.gz IWEGCJUZZDKCCC-VXGBXAGGSA-N 1 0 233.359 2.426 10 0 BEAERO C[NH2+]Cc1ccc(N2CCCC[C@H]2C)nc1 ZINC000051399440 132360660 /nfs/dbraw/zinc/36/06/60/132360660.db2.gz SMSDJFJPJNNOFX-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO C[NH2+]Cc1ccnc(N2CCC[C@H](C)C2)c1 ZINC000051399905 132360661 /nfs/dbraw/zinc/36/06/61/132360661.db2.gz OTKMUAUSSDWDNF-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO C[NH2+]Cc1cnc(N2CCCCC2)c(Cl)c1 ZINC000051436149 132361094 /nfs/dbraw/zinc/36/10/94/132361094.db2.gz WENMOUQXLKOBHL-UHFFFAOYSA-N 1 0 239.750 2.445 10 0 BEAERO Cc1ccc(C[NH3+])c(N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000051578569 132361316 /nfs/dbraw/zinc/36/13/16/132361316.db2.gz PGRRIKGUAGECNZ-VXGBXAGGSA-N 1 0 234.343 2.067 10 0 BEAERO Cc1ccc(C[NH3+])c(N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000051578571 132361395 /nfs/dbraw/zinc/36/13/95/132361395.db2.gz PGRRIKGUAGECNZ-RYUDHWBXSA-N 1 0 234.343 2.067 10 0 BEAERO CCc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000053296545 132362983 /nfs/dbraw/zinc/36/29/83/132362983.db2.gz JRQGJXRFOPMVDX-GFCCVEGCSA-N 1 0 204.317 2.177 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1c1ccc(N(C)C)cc1 ZINC000058449486 132368154 /nfs/dbraw/zinc/36/81/54/132368154.db2.gz PXPSSDUWGDAPLP-LBPRGKRZSA-N 1 0 247.386 2.329 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1c1ccccc1F ZINC000058444117 132368189 /nfs/dbraw/zinc/36/81/89/132368189.db2.gz QCXFKTKMXFTWBV-SNVBAGLBSA-N 1 0 222.307 2.402 10 0 BEAERO [NH2+]=C(C1CC1)N1CCN(c2ccccc2)CC1 ZINC000062989810 132388384 /nfs/dbraw/zinc/38/83/84/132388384.db2.gz BQWNKYWURHPUEV-UHFFFAOYSA-N 1 0 229.327 2.196 10 0 BEAERO C[C@H]1COCCN1c1cc(Cl)ccc1C[NH3+] ZINC000062786802 132388751 /nfs/dbraw/zinc/38/87/51/132388751.db2.gz CMEJYXRHWLPVOB-VIFPVBQESA-N 1 0 240.734 2.024 10 0 BEAERO Fc1ccc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063190589 132389258 /nfs/dbraw/zinc/38/92/58/132389258.db2.gz HVUASTASFLHZAJ-STQMWFEESA-N 1 0 249.333 2.332 10 0 BEAERO C[C@H]1Cc2ccccc2N([C@@H]2CC[NH2+]C2)C1 ZINC000071128403 132392043 /nfs/dbraw/zinc/39/20/43/132392043.db2.gz XVHNUQIVAVFLQU-WCQYABFASA-N 1 0 216.328 2.047 10 0 BEAERO Cc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c(C)c1 ZINC000071520901 132392574 /nfs/dbraw/zinc/39/25/74/132392574.db2.gz GYKIDEPNMMJOOQ-OLZOCXBDSA-N 1 0 218.344 2.490 10 0 BEAERO CC(C)[C@@H]1CN(c2ccccc2F)CC[NH2+]1 ZINC000083059707 132419244 /nfs/dbraw/zinc/41/92/44/132419244.db2.gz WPXPAYSZJAKTTK-LBPRGKRZSA-N 1 0 222.307 2.260 10 0 BEAERO Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cn1 ZINC000083360268 132422462 /nfs/dbraw/zinc/42/24/62/132422462.db2.gz OWOBAGITCZHKMZ-JSGCOSHPSA-N 1 0 233.359 2.213 10 0 BEAERO COc1cc(F)ccc1N1C[C@H](C)[NH2+]C[C@H]1C ZINC000083366172 132423650 /nfs/dbraw/zinc/42/36/50/132423650.db2.gz AGWZLWQIMFNNOF-VHSXEESVSA-N 1 0 238.306 2.021 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733350 132427557 /nfs/dbraw/zinc/42/75/57/132427557.db2.gz UVQYJOJRQLQJEI-QWHCGFSZSA-N 1 0 248.374 2.080 10 0 BEAERO C[C@@H](CC[NH3+])Nc1cccc(C(F)(F)F)n1 ZINC000162100346 133518280 /nfs/dbraw/zinc/51/82/80/133518280.db2.gz AILKASPYPXRITK-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO C[C@@H]1CC(C[NH2+]CC[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000343653806 133701497 /nfs/dbraw/zinc/70/14/97/133701497.db2.gz FYTVNVQAOHYHTO-JHJVBQTASA-N 1 0 241.375 2.206 10 0 BEAERO CCC1(C[N@@H+]2CCC[C@@H](O)CC2)CCOCC1 ZINC000335960144 134026481 /nfs/dbraw/zinc/02/64/81/134026481.db2.gz BAUZNWBYMAZHHJ-CYBMUJFWSA-N 1 0 241.375 2.040 10 0 BEAERO C[NH+](C)C1CCN(C[C@@H]2CCCC2(F)F)CC1 ZINC000336192235 134123864 /nfs/dbraw/zinc/12/38/64/134123864.db2.gz HOYXCIQAECRVHL-NSHDSACASA-N 1 0 246.345 2.448 10 0 BEAERO FC1(F)CCC[C@@H]1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000336195195 134125939 /nfs/dbraw/zinc/12/59/39/134125939.db2.gz RNZSDBXPMYPRQL-SNVBAGLBSA-N 1 0 241.285 2.203 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]CCC(F)(F)F ZINC000219177590 134274583 /nfs/dbraw/zinc/27/45/83/134274583.db2.gz BOCHWYAAIVOYQZ-ZETCQYMHSA-N 1 0 233.237 2.388 10 0 BEAERO CCn1ccnc1CSCC[NH+](CC)CC ZINC000174025034 134280375 /nfs/dbraw/zinc/28/03/75/134280375.db2.gz MFAMUCGRJZPNRM-UHFFFAOYSA-N 1 0 241.404 2.478 10 0 BEAERO C[C@H](c1cccnc1)N1CCC(=O)[C@@H](C)C1 ZINC000219738023 134290708 /nfs/dbraw/zinc/29/07/08/134290708.db2.gz RYARLZWOMNSDHU-WDEREUQCSA-N 1 0 218.300 2.054 10 0 BEAERO CCC[C@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177035833 134294146 /nfs/dbraw/zinc/29/41/46/134294146.db2.gz KMRGEGQVSRFYHO-STQMWFEESA-N 1 0 240.391 2.365 10 0 BEAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000178354415 134308682 /nfs/dbraw/zinc/30/86/82/134308682.db2.gz RVUJNMISBNJZPG-GOEBONIOSA-N 1 0 243.350 2.423 10 0 BEAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)C1CCC1 ZINC000178355651 134308948 /nfs/dbraw/zinc/30/89/48/134308948.db2.gz GYKVMRYYZIQRBJ-LKTVYLICSA-N 1 0 231.339 2.423 10 0 BEAERO Cn1nccc1C1CC[NH+](C2CCC2)CC1 ZINC000178988577 134314246 /nfs/dbraw/zinc/31/42/46/134314246.db2.gz QFKZRMIONQCNTA-UHFFFAOYSA-N 1 0 219.332 2.152 10 0 BEAERO c1cc([C@@H]2CCC[N@@H+](C3CCC3)C2)n[nH]1 ZINC000178983455 134314260 /nfs/dbraw/zinc/31/42/60/134314260.db2.gz WIHRVZGVVNTTDG-SNVBAGLBSA-N 1 0 205.305 2.142 10 0 BEAERO COC1CC([NH2+][C@H](CN(C)C)c2ccccc2)C1 ZINC000220830551 134316027 /nfs/dbraw/zinc/31/60/27/134316027.db2.gz KPNDPOCINOLHIP-YMAMQOFZSA-N 1 0 248.370 2.056 10 0 BEAERO Cc1cnn([C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000179572787 134321913 /nfs/dbraw/zinc/32/19/13/134321913.db2.gz KPUKHOYJKAPHEB-CYBMUJFWSA-N 1 0 219.332 2.381 10 0 BEAERO c1coc([C@@H]2CN(C3CCC3)CCO2)c1 ZINC000179583881 134321917 /nfs/dbraw/zinc/32/19/17/134321917.db2.gz FZZNZCCDLJTKHY-LBPRGKRZSA-N 1 0 207.273 2.205 10 0 BEAERO COCC[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000224022565 134344494 /nfs/dbraw/zinc/34/44/94/134344494.db2.gz UWAZCYUJTWCRCT-MJBXVCDLSA-N 1 0 241.375 2.038 10 0 BEAERO CCc1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000225377464 134355103 /nfs/dbraw/zinc/35/51/03/134355103.db2.gz ZWFUZXSYXHXZHY-CQSZACIVSA-N 1 0 246.354 2.007 10 0 BEAERO C[C@@H]1C[NH+](C[C@@H]2CCC(C)(C)O2)C[C@@H](C)O1 ZINC000184648230 134367138 /nfs/dbraw/zinc/36/71/38/134367138.db2.gz TVPGVMIVIVGRKP-UTUOFQBUSA-N 1 0 227.348 2.053 10 0 BEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccsc1 ZINC000061363521 134392977 /nfs/dbraw/zinc/39/29/77/134392977.db2.gz KCSZAHGRXFTZOQ-VIFPVBQESA-N 1 0 240.372 2.313 10 0 BEAERO CCCn1ccc(C[NH2+]CCC[C@@H](C)O)c1 ZINC000227959055 134395359 /nfs/dbraw/zinc/39/53/59/134395359.db2.gz SHRVLYGHMWYXHS-GFCCVEGCSA-N 1 0 224.348 2.149 10 0 BEAERO CCO[C@H]1C[C@H]([NH2+]CC(C)C)C12CCOCC2 ZINC000186197689 134406603 /nfs/dbraw/zinc/40/66/03/134406603.db2.gz SVKLDNOKFJVXDT-STQMWFEESA-N 1 0 241.375 2.206 10 0 BEAERO C[C@H]([NH3+])CCNc1ccc(C(F)(F)F)cn1 ZINC000063171796 134524202 /nfs/dbraw/zinc/52/42/02/134524202.db2.gz VERRDQKMBQSLPP-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO CC(C)CCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231480827 134542013 /nfs/dbraw/zinc/54/20/13/134542013.db2.gz SVOMWYUVQREQIB-GFCCVEGCSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)C1CC([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000232539793 134553792 /nfs/dbraw/zinc/55/37/92/134553792.db2.gz DWTHOIUWPDOLFA-IFWUJCSASA-N 1 0 211.349 2.314 10 0 BEAERO CCC[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000213056321 134626708 /nfs/dbraw/zinc/62/67/08/134626708.db2.gz XHJPNUYTXQUINN-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000133071576 134674073 /nfs/dbraw/zinc/67/40/73/134674073.db2.gz YOPBZLRLJLJJBB-VXGBXAGGSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000134217236 134705107 /nfs/dbraw/zinc/70/51/07/134705107.db2.gz XDSDBDRLMKCVGO-DTWKUNHWSA-N 1 0 225.254 2.486 10 0 BEAERO COC(=O)CCC[NH2+][C@@H](C)C1CCCC1 ZINC000054080401 134755418 /nfs/dbraw/zinc/75/54/18/134755418.db2.gz LLIOFBLVROHRLW-JTQLQIEISA-N 1 0 213.321 2.108 10 0 BEAERO Cc1c(C[NH2+][C@]2(C)CC=CCC2)cnn1C ZINC000335242487 134847097 /nfs/dbraw/zinc/84/70/97/134847097.db2.gz UMXLAXQNASQCIM-CYBMUJFWSA-N 1 0 219.332 2.317 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000248660392 135018255 /nfs/dbraw/zinc/01/82/55/135018255.db2.gz WBBNSDQZHTUHEX-MGPQQGTHSA-N 1 0 243.391 2.142 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000250189472 135050646 /nfs/dbraw/zinc/05/06/46/135050646.db2.gz ADNFHRWJRVBGCC-FRRDWIJNSA-N 1 0 210.365 2.249 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251342660 135068964 /nfs/dbraw/zinc/06/89/64/135068964.db2.gz AATKSLQXXCPTFZ-SDDRHHMPSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC1CC1 ZINC000251549376 135070682 /nfs/dbraw/zinc/07/06/82/135070682.db2.gz BAQOKBBMUCMRHF-KGLIPLIRSA-N 1 0 222.376 2.345 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1CCO[C@H]2CCCC[C@H]21 ZINC000251371851 135071816 /nfs/dbraw/zinc/07/18/16/135071816.db2.gz GDEYBYFOSMAWJU-MJBXVCDLSA-N 1 0 240.391 2.003 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccon1 ZINC000251704300 135075042 /nfs/dbraw/zinc/07/50/42/135075042.db2.gz JDBBDSNCBMWHMA-KGLIPLIRSA-N 1 0 249.358 2.123 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000251753375 135076725 /nfs/dbraw/zinc/07/67/25/135076725.db2.gz USFWPTRTEJOWRD-MROQNXINSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCC1 ZINC000251755258 135076875 /nfs/dbraw/zinc/07/68/75/135076875.db2.gz LPANDMUBWFVMJQ-KGLIPLIRSA-N 1 0 222.376 2.345 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC000251817382 135078243 /nfs/dbraw/zinc/07/82/43/135078243.db2.gz ZIKAKHDLBGITOO-GMTAPVOTSA-N 1 0 222.336 2.044 10 0 BEAERO C[C@@H](CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)C(C)(C)C ZINC000251843717 135078931 /nfs/dbraw/zinc/07/89/31/135078931.db2.gz QSYKXWWMVHIUMH-GRYCIOLGSA-N 1 0 240.391 2.254 10 0 BEAERO COC(=O)[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000252207954 135086899 /nfs/dbraw/zinc/08/68/99/135086899.db2.gz XMQNBLYRGOAAHQ-NNYUYHANSA-N 1 0 227.348 2.210 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(F)(F)F ZINC000252661052 135094102 /nfs/dbraw/zinc/09/41/02/135094102.db2.gz KPQIKPDGFIVDMK-UWVGGRQHSA-N 1 0 236.281 2.107 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000252705538 135097886 /nfs/dbraw/zinc/09/78/86/135097886.db2.gz QOFAYWOIHOVWLO-ZDEQEGDKSA-N 1 0 209.333 2.022 10 0 BEAERO COCC[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252715186 135101107 /nfs/dbraw/zinc/10/11/07/135101107.db2.gz UWAZCYUJTWCRCT-MELADBBJSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCC1 ZINC000086930748 135102548 /nfs/dbraw/zinc/10/25/48/135102548.db2.gz LPANDMUBWFVMJQ-ZIAGYGMSSA-N 1 0 222.376 2.345 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)C1CC1 ZINC000252729279 135103613 /nfs/dbraw/zinc/10/36/13/135103613.db2.gz FZSCZHWAJIUTMJ-KWCYVHTRSA-N 1 0 224.392 2.493 10 0 BEAERO C[C@@H]1CC[C@H](N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000252738930 135105538 /nfs/dbraw/zinc/10/55/38/135105538.db2.gz FSBGQYAZWXTJNK-YIYPIFLZSA-N 1 0 222.376 2.344 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCCC[C@H]1O)C1CC1 ZINC000252876584 135115562 /nfs/dbraw/zinc/11/55/62/135115562.db2.gz QXYSBOCPFXSAQP-RWMBFGLXSA-N 1 0 211.349 2.458 10 0 BEAERO CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253095682 135120822 /nfs/dbraw/zinc/12/08/22/135120822.db2.gz PLOJKKANARBPFS-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095683 135121094 /nfs/dbraw/zinc/12/10/94/135121094.db2.gz PLOJKKANARBPFS-MCIONIFRSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1nccc(C[NH2+][C@H]2CC[C@H](C)CC2)n1 ZINC000253138425 135122373 /nfs/dbraw/zinc/12/23/73/135122373.db2.gz VHEOGFHQHZIXFI-UMSPYCQHSA-N 1 0 219.332 2.453 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)C1 ZINC000253178626 135123367 /nfs/dbraw/zinc/12/33/67/135123367.db2.gz CBTUATDZUBUZLY-USZNOCQGSA-N 1 0 231.405 2.267 10 0 BEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C(C)C ZINC000078435362 135124835 /nfs/dbraw/zinc/12/48/35/135124835.db2.gz QJZUIKZVKCCUNU-VXGBXAGGSA-N 1 0 243.395 2.060 10 0 BEAERO CCCn1ccc(C[NH2+][C@@H](C)CCCO)c1 ZINC000087358837 135125134 /nfs/dbraw/zinc/12/51/34/135125134.db2.gz JICJWHWMIASLGN-LBPRGKRZSA-N 1 0 224.348 2.149 10 0 BEAERO CC[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000253278937 135125602 /nfs/dbraw/zinc/12/56/02/135125602.db2.gz PCSFZXXFTDACEQ-OLZOCXBDSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1sc([C@@H](C)[NH3+])nc1C1CCOCC1 ZINC000259364636 135142879 /nfs/dbraw/zinc/14/28/79/135142879.db2.gz VAQALDZSLLMJNK-SSDOTTSWSA-N 1 0 226.345 2.365 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1ccc(F)cn1 ZINC000087780147 135168191 /nfs/dbraw/zinc/16/81/91/135168191.db2.gz BUPNVQQISAQTMV-SNVBAGLBSA-N 1 0 211.284 2.150 10 0 BEAERO C[C@@H]1CCN(C(=O)CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000261537731 135174253 /nfs/dbraw/zinc/17/42/53/135174253.db2.gz UFBACYOUUFTSTN-VXGBXAGGSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)[C@H](C)C[NH2+]1 ZINC000261538127 135175196 /nfs/dbraw/zinc/17/51/96/135175196.db2.gz DWHBNAXRMWENGC-UTUOFQBUSA-N 1 0 246.345 2.494 10 0 BEAERO C[C@@H](CC(=O)N[C@H]1CC[NH2+][C@H](C)C1)C(C)(C)C ZINC000261539881 135178507 /nfs/dbraw/zinc/17/85/07/135178507.db2.gz CCJGEFZLZPBYCE-TUAOUCFPSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H](CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C(C)(C)C ZINC000261539879 135178954 /nfs/dbraw/zinc/17/89/54/135178954.db2.gz CCJGEFZLZPBYCE-QJPTWQEYSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@H](c1ccccn1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261542717 135183249 /nfs/dbraw/zinc/18/32/49/135183249.db2.gz CJTHWMPULDOHPD-DGCLKSJQSA-N 1 0 233.359 2.202 10 0 BEAERO CC(C)c1cc(N2CC[C@H]([NH3+])C(C)(C)C2)ncn1 ZINC000261556353 135196025 /nfs/dbraw/zinc/19/60/25/135196025.db2.gz BXYNOFRUXFXCTD-LBPRGKRZSA-N 1 0 248.374 2.164 10 0 BEAERO CC1(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000261563283 135205111 /nfs/dbraw/zinc/20/51/11/135205111.db2.gz WXHLCDWVDNNGQB-NSHDSACASA-N 1 0 238.375 2.153 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084308730 135207041 /nfs/dbraw/zinc/20/70/41/135207041.db2.gz NYFYRAOVSASXKH-VXGBXAGGSA-N 1 0 226.364 2.010 10 0 BEAERO C[C@@H](C(=O)NC1CCCCCCC1)C1C[NH2+]C1 ZINC000163818501 135207660 /nfs/dbraw/zinc/20/76/60/135207660.db2.gz FDIPMIVBQPFGJY-LLVKDONJSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1cc(C)cc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000163843134 135209106 /nfs/dbraw/zinc/20/91/06/135209106.db2.gz MMSFOFCLXWOBHP-NSHDSACASA-N 1 0 232.327 2.097 10 0 BEAERO CCC(C)(C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261572392 135213989 /nfs/dbraw/zinc/21/39/89/135213989.db2.gz ICHVWGCXEPOOKJ-SNVBAGLBSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H](CC(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000261580305 135221498 /nfs/dbraw/zinc/22/14/98/135221498.db2.gz MXQDLBPHZHXGPA-GMTAPVOTSA-N 1 0 226.364 2.007 10 0 BEAERO CC1(C)CN(c2ncccc2Cl)CC[C@@H]1[NH3+] ZINC000261587024 135228353 /nfs/dbraw/zinc/22/83/53/135228353.db2.gz RNFUJRUZUUGWGP-JTQLQIEISA-N 1 0 239.750 2.299 10 0 BEAERO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C(C)(C)C1 ZINC000261763040 135250716 /nfs/dbraw/zinc/25/07/16/135250716.db2.gz NQYXUZFWZYJMKY-IJLUTSLNSA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261807709 135254155 /nfs/dbraw/zinc/25/41/55/135254155.db2.gz NDARFINENFZBHI-CIQGVGRVSA-N 1 0 238.375 2.008 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164425052 135256215 /nfs/dbraw/zinc/25/62/15/135256215.db2.gz RDSBOKZHTXZMQT-NEPJUHHUSA-N 1 0 246.354 2.028 10 0 BEAERO CC[C@]1(C)C[C@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261959104 135265842 /nfs/dbraw/zinc/26/58/42/135265842.db2.gz KSIIPWQUJDZSJT-MISXGVKJSA-N 1 0 238.375 2.008 10 0 BEAERO [NH3+]C1(c2noc(/C=C/C3CCC3)n2)CCC1 ZINC000262010934 135272198 /nfs/dbraw/zinc/27/21/98/135272198.db2.gz VAFWUVMAIGTXDD-AATRIKPKSA-N 1 0 219.288 2.221 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN2CCCC2=O)C1 ZINC000080458705 135374263 /nfs/dbraw/zinc/37/42/63/135374263.db2.gz BWFAZEYOXZEDDX-YNEHKIRRSA-N 1 0 238.375 2.166 10 0 BEAERO CCCn1ccc(C[NH2+][C@H](C)C[C@@H](C)O)c1 ZINC000164532844 135390836 /nfs/dbraw/zinc/39/08/36/135390836.db2.gz OOYONCBRRGRIDL-VXGBXAGGSA-N 1 0 224.348 2.147 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1conc1C ZINC000334174046 135398219 /nfs/dbraw/zinc/39/82/19/135398219.db2.gz BXHRGMODRHTQDB-ZIAGYGMSSA-N 1 0 249.358 2.042 10 0 BEAERO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000334745732 135403814 /nfs/dbraw/zinc/40/38/14/135403814.db2.gz KEIBBNMARBHNLQ-JSGCOSHPSA-N 1 0 219.328 2.198 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000335768383 135422253 /nfs/dbraw/zinc/42/22/53/135422253.db2.gz DYVXFWXDEKKUEG-AAEUAGOBSA-N 1 0 238.375 2.214 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000085356638 135481941 /nfs/dbraw/zinc/48/19/41/135481941.db2.gz JGXVNCJQTMEXQK-LDYMZIIASA-N 1 0 240.253 2.031 10 0 BEAERO Cc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085356988 135482043 /nfs/dbraw/zinc/48/20/43/135482043.db2.gz XMJATALBVJDFTD-QWRGUYRKSA-N 1 0 236.290 2.200 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)no1 ZINC000094449311 135614945 /nfs/dbraw/zinc/61/49/45/135614945.db2.gz HHRKEIGDUJVGIE-QWHCGFSZSA-N 1 0 249.358 2.042 10 0 BEAERO FC(F)(F)C12CC(C1)CN2C[C@@H]1CCC[NH2+]C1 ZINC000334852353 135823987 /nfs/dbraw/zinc/82/39/87/135823987.db2.gz GMQLJEVCWJXBNW-KPPDAEKUSA-N 1 0 248.292 2.013 10 0 BEAERO C[C@@H]1CCCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000335028440 135867800 /nfs/dbraw/zinc/86/78/00/135867800.db2.gz KWZUOMWUGYHJAR-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)c1cnc(N2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000335294150 136005591 /nfs/dbraw/zinc/00/55/91/136005591.db2.gz AGBIHFJDXSZGGE-VHSXEESVSA-N 1 0 239.388 2.440 10 0 BEAERO Cc1ccnc(N2CC[C@H]([NH3+])[C@H](C)C2)c1Cl ZINC000335300820 136023792 /nfs/dbraw/zinc/02/37/92/136023792.db2.gz SRFIQVCNOAMMLX-ZJUUUORDSA-N 1 0 239.750 2.217 10 0 BEAERO C[C@@H]1CC(C[NH2+]C2CCC(O)CC2)C[C@@H](C)O1 ZINC000335312156 136030162 /nfs/dbraw/zinc/03/01/62/136030162.db2.gz DCQWBXREWFDDNQ-IENTYSSBSA-N 1 0 241.375 2.083 10 0 BEAERO CC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C)n1CC ZINC000348171731 136042796 /nfs/dbraw/zinc/04/27/96/136042796.db2.gz VQOHJZVOJILSRT-NWDGAFQWSA-N 1 0 236.363 2.275 10 0 BEAERO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000348261897 136057580 /nfs/dbraw/zinc/05/75/80/136057580.db2.gz HKHANGVFQGSYKQ-QJPTWQEYSA-N 1 0 225.332 2.203 10 0 BEAERO CC(C)CCOC[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052624775 166876955 /nfs/dbraw/zinc/87/69/55/166876955.db2.gz BBCWMWCEUDGYOL-KBPBESRZSA-N 1 0 241.375 2.349 10 0 BEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000052338308 322854422 /nfs/dbraw/zinc/85/44/22/322854422.db2.gz CDOHAFSLMGXGBH-NSHDSACASA-N 1 0 240.391 2.460 10 0 BEAERO CCOc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000295118450 397758414 /nfs/dbraw/zinc/75/84/14/397758414.db2.gz WZNLNGUIVHYVLL-SWLSCSKDSA-N 1 0 249.354 2.431 10 0 BEAERO C[C@H]1CN(C[C@@H]2CCCCC2(F)F)CC[NH2+]1 ZINC000381600487 397762570 /nfs/dbraw/zinc/76/25/70/397762570.db2.gz GHSQGFFJBANONJ-QWRGUYRKSA-N 1 0 232.318 2.106 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]CC2CC(O)C2)cs1 ZINC000381645725 397781393 /nfs/dbraw/zinc/78/13/93/397781393.db2.gz XSNHYYQNLHKKHL-GRZMOONWSA-N 1 0 225.357 2.478 10 0 BEAERO C[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1F ZINC000119230917 397882798 /nfs/dbraw/zinc/88/27/98/397882798.db2.gz SDPYQJGAWNBIJZ-MRVPVSSYSA-N 1 0 231.698 2.340 10 0 BEAERO C[C@H]1CSC(N[C@@H]2CC23CCCC3)=[NH+]1 ZINC000306884126 397935543 /nfs/dbraw/zinc/93/55/43/397935543.db2.gz PZDUGKCBZDHOMZ-DTWKUNHWSA-N 1 0 210.346 2.400 10 0 BEAERO Cc1ccc([C@@H]([NH3+])CC2OCCO2)c(F)c1F ZINC000231748173 397935671 /nfs/dbraw/zinc/93/56/71/397935671.db2.gz NABMHMAARVQUGC-VIFPVBQESA-N 1 0 243.253 2.036 10 0 BEAERO F[C@@H](c1ccns1)[C@H]1CCC[NH2+]C1 ZINC000306883692 397935939 /nfs/dbraw/zinc/93/59/39/397935939.db2.gz KRUNZPJUGHYING-IONNQARKSA-N 1 0 200.282 2.153 10 0 BEAERO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000382338402 397936134 /nfs/dbraw/zinc/93/61/34/397936134.db2.gz YSKABVMITABDTO-CPOMMVLXSA-N 1 0 221.304 2.217 10 0 BEAERO C[C@H]([NH3+])/C=C/c1ccc(Br)cn1 ZINC000231750760 397943804 /nfs/dbraw/zinc/94/38/04/397943804.db2.gz XPPMGYNCRXTDFC-XBBYQOBLSA-N 1 0 227.105 2.205 10 0 BEAERO CC[C@@](C)([NH3+])c1ccc(Br)cn1 ZINC000306893911 397945261 /nfs/dbraw/zinc/94/52/61/397945261.db2.gz KISMXRMBYWMIPV-SECBINFHSA-N 1 0 229.121 2.428 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000388785873 398000757 /nfs/dbraw/zinc/00/07/57/398000757.db2.gz IOSVNFTXENRMRO-UTUOFQBUSA-N 1 0 226.364 2.055 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000054073907 398025293 /nfs/dbraw/zinc/02/52/93/398025293.db2.gz JBJCARXMODPCEF-ZCFIWIBFSA-N 1 0 230.670 2.026 10 0 BEAERO CC[C@H]1C[C@]1([NH3+])COCc1ccccc1 ZINC000211627520 398048438 /nfs/dbraw/zinc/04/84/38/398048438.db2.gz BWUCMBPEHJHZCB-STQMWFEESA-N 1 0 205.301 2.331 10 0 BEAERO CCCC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CCC1 ZINC000392122692 398030256 /nfs/dbraw/zinc/03/02/56/398030256.db2.gz XMOAVCFNFRDIGT-GFCCVEGCSA-N 1 0 240.391 2.446 10 0 BEAERO Cc1cc(CC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cs1 ZINC000307133009 397985631 /nfs/dbraw/zinc/98/56/31/397985631.db2.gz WLLQRXNRDAWSMG-WDEREUQCSA-N 1 0 221.325 2.072 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000388653969 397987808 /nfs/dbraw/zinc/98/78/08/397987808.db2.gz ATEZGSDKNHYZCF-XQHKEYJVSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)([NH3+])C[C@@H](O)c1occc1Br ZINC000307151576 397989558 /nfs/dbraw/zinc/98/95/58/397989558.db2.gz DQZAXTFZNSVAKN-SSDOTTSWSA-N 1 0 248.120 2.203 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)Cc1cnccn1)C(C)C ZINC000336734989 398061896 /nfs/dbraw/zinc/06/18/96/398061896.db2.gz LJNCURSUBQHFDE-AAEUAGOBSA-N 1 0 221.348 2.432 10 0 BEAERO C[N@@H+]1CCC[C@@H]1[C@H]1CCc2ccc(O)cc2O1 ZINC000260315428 398078944 /nfs/dbraw/zinc/07/89/44/398078944.db2.gz ZNYNSJDQHMXNFR-CHWSQXEVSA-N 1 0 233.311 2.180 10 0 BEAERO Fc1ccc2c(c1)onc2[C@H]1CCC[NH2+]1 ZINC000584639684 398083943 /nfs/dbraw/zinc/08/39/43/398083943.db2.gz QCLJLANIAHEBEW-SECBINFHSA-N 1 0 206.220 2.391 10 0 BEAERO Cc1nnc(CN(C)[C@@H](C)c2ccccc2)n1C ZINC000051709645 398056975 /nfs/dbraw/zinc/05/69/75/398056975.db2.gz NDPDJANJJGPJAQ-NSHDSACASA-N 1 0 244.342 2.317 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000649811176 398117809 /nfs/dbraw/zinc/11/78/09/398117809.db2.gz IITMNLRUJUECNO-ZDUSSCGKSA-N 1 0 241.375 2.086 10 0 BEAERO CC(C)C[NH2+]CCC(=O)c1cccc(N)c1 ZINC000098124630 167003425 /nfs/dbraw/zinc/00/34/25/167003425.db2.gz YNNPNMDRSYXCNW-UHFFFAOYSA-N 1 0 220.316 2.087 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309330722 167029596 /nfs/dbraw/zinc/02/95/96/167029596.db2.gz HSQMEUJGSITHIQ-FRRDWIJNSA-N 1 0 242.432 2.058 10 0 BEAERO CC(C)[NH2+]CCC(=O)N1CC[C@H](C)C[C@@H]1C ZINC000051733197 167100662 /nfs/dbraw/zinc/10/06/62/167100662.db2.gz VJFVEDNMAWVPFJ-RYUDHWBXSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)[NH2+]CCN(C)CC1CCCCC1 ZINC000042318270 167103161 /nfs/dbraw/zinc/10/31/61/167103161.db2.gz JIVSVSQCTGDRME-UHFFFAOYSA-N 1 0 212.381 2.497 10 0 BEAERO CC(C)[NH2+]Cc1cccc(N2CCCC2)n1 ZINC000051399083 167118403 /nfs/dbraw/zinc/11/84/03/167118403.db2.gz QMCYURORWSUWAS-UHFFFAOYSA-N 1 0 219.332 2.180 10 0 BEAERO CC(C)[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000038115668 167137462 /nfs/dbraw/zinc/13/74/62/167137462.db2.gz OQKPQKUWKHQPLO-CQSZACIVSA-N 1 0 219.328 2.209 10 0 BEAERO CC(C)[NH2+][C@](C)(CO)c1ccc(F)cc1F ZINC000038115506 167141976 /nfs/dbraw/zinc/14/19/76/167141976.db2.gz SBNJBCTZZSLZFP-GFCCVEGCSA-N 1 0 229.270 2.170 10 0 BEAERO CC(C)CC1(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000659383387 487557396 /nfs/dbraw/zinc/55/73/96/487557396.db2.gz PZXDMIMBTUFBTE-RYUDHWBXSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1c(C[NH2+][C@H](C)C2CCC2)cnn1C ZINC000119650843 487559872 /nfs/dbraw/zinc/55/98/72/487559872.db2.gz JJCVHQHQEGBDFM-SECBINFHSA-N 1 0 207.321 2.007 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@H](C)C2CCC2)n1 ZINC000119644486 487559926 /nfs/dbraw/zinc/55/99/26/487559926.db2.gz IMSRAUCCAVLYDH-SNVBAGLBSA-N 1 0 220.316 2.374 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1ncnc2c1CCCC2 ZINC000094872516 487562305 /nfs/dbraw/zinc/56/23/05/487562305.db2.gz ARMJAYBXUIPWHP-LLVKDONJSA-N 1 0 248.374 2.141 10 0 BEAERO CCc1ccc(CNC[C@H](C)[NH2+]C)s1 ZINC000225381115 487564351 /nfs/dbraw/zinc/56/43/51/487564351.db2.gz ONDUZIWDVXMWII-VIFPVBQESA-N 1 0 212.362 2.008 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C[C@H](C)[NH3+])cc1F ZINC000094956319 487565419 /nfs/dbraw/zinc/56/54/19/487565419.db2.gz MYTMOPRWIPTYDE-VHSXEESVSA-N 1 0 238.306 2.049 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000393240983 487568804 /nfs/dbraw/zinc/56/88/04/487568804.db2.gz OBAIIYRRAPUHOF-NEPJUHHUSA-N 1 0 212.381 2.352 10 0 BEAERO CC1(C)CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000308910182 487579653 /nfs/dbraw/zinc/57/96/53/487579653.db2.gz MJLWZJSKMNXQLN-VXGBXAGGSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000401585444 533676870 /nfs/dbraw/zinc/67/68/70/533676870.db2.gz MQSUSITWOOHLEW-MLGOLLRUSA-N 1 0 245.366 2.378 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000308925950 487584469 /nfs/dbraw/zinc/58/44/69/487584469.db2.gz QAPVKQRZUKGWJH-YVECIDJPSA-N 1 0 211.349 2.268 10 0 BEAERO COC1(C)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000393830012 487587523 /nfs/dbraw/zinc/58/75/23/487587523.db2.gz JGSDNYPMTPKKMK-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000084447382 322913346 /nfs/dbraw/zinc/91/33/46/322913346.db2.gz PAPOTSKJRRDSLO-UHFFFAOYSA-N 1 0 231.748 2.262 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000658350055 487590603 /nfs/dbraw/zinc/59/06/03/487590603.db2.gz ADLBFIKCFNYSOH-RPFQZYLTSA-N 1 0 235.302 2.174 10 0 BEAERO Cc1ccsc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658350153 487591801 /nfs/dbraw/zinc/59/18/01/487591801.db2.gz CHUULKDWRKXWPY-KPPDAEKUSA-N 1 0 225.357 2.478 10 0 BEAERO CC(C)SCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000369504879 167327976 /nfs/dbraw/zinc/32/79/76/167327976.db2.gz VZOJEMHQWIIQDB-CHWSQXEVSA-N 1 0 242.432 2.297 10 0 BEAERO C[C@H](NCC[NH3+])c1ccc(Cl)c(F)c1 ZINC000215021499 409634950 /nfs/dbraw/zinc/63/49/50/409634950.db2.gz WWFMWHHSBYXIAZ-ZETCQYMHSA-N 1 0 216.687 2.088 10 0 BEAERO COC(C[NH2+]Cc1ccc(Cl)cc1)OC ZINC000037388211 409738359 /nfs/dbraw/zinc/73/83/59/409738359.db2.gz KYYVJZGZJOQVCZ-UHFFFAOYSA-N 1 0 229.707 2.049 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662625802 409797001 /nfs/dbraw/zinc/79/70/01/409797001.db2.gz HPBDMCJTYVGLGY-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000662627515 409802879 /nfs/dbraw/zinc/80/28/79/409802879.db2.gz ZUNVTJBMKZELLV-MNOVXSKESA-N 1 0 228.380 2.301 10 0 BEAERO CC[C@H](NC(=O)C1(C[NH3+])CCCC1)C(C)C ZINC000044763604 409867570 /nfs/dbraw/zinc/86/75/70/409867570.db2.gz CXELBXWWQCKILJ-NSHDSACASA-N 1 0 226.364 2.056 10 0 BEAERO CC1(C)CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000061821028 409984063 /nfs/dbraw/zinc/98/40/63/409984063.db2.gz QLDIGZFSOMIPLG-UHFFFAOYSA-N 1 0 238.375 2.153 10 0 BEAERO Brc1cc2c(o1)C[NH2+]CCC2 ZINC000082370067 166095887 /nfs/dbraw/zinc/09/58/87/166095887.db2.gz XCZRWLVZWFMFIZ-UHFFFAOYSA-N 1 0 216.078 2.078 10 0 BEAERO CCCC(C)(C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000126186646 410081167 /nfs/dbraw/zinc/08/11/67/410081167.db2.gz NXKJJLYIGRNQHO-JTQLQIEISA-N 1 0 214.353 2.055 10 0 BEAERO Brc1ccc(C[C@H]2CCC[NH2+]2)o1 ZINC000083326763 166097765 /nfs/dbraw/zinc/09/77/65/166097765.db2.gz ALIHSXGJWTZARW-SSDOTTSWSA-N 1 0 230.105 2.337 10 0 BEAERO Brc1ccc([C@H]2CCC[NH2+]2)o1 ZINC000079033109 166100253 /nfs/dbraw/zinc/10/02/53/166100253.db2.gz XWVZZWQHZRGHLX-ZCFIWIBFSA-N 1 0 216.078 2.467 10 0 BEAERO Brc1cccc2c1C[NH2+]CCC2 ZINC000082360160 166101264 /nfs/dbraw/zinc/10/12/64/166101264.db2.gz MOWSELWMYMXVBE-UHFFFAOYSA-N 1 0 226.117 2.485 10 0 BEAERO Brc1ccccc1C1C[NH2+]C1 ZINC000084199125 166102461 /nfs/dbraw/zinc/10/24/61/166102461.db2.gz DPTFMVJMOFNVTN-UHFFFAOYSA-N 1 0 212.090 2.136 10 0 BEAERO CC1CC(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])C1 ZINC000653238629 410182071 /nfs/dbraw/zinc/18/20/71/410182071.db2.gz RTQBBJJOKDUFBL-MVKMKZAISA-N 1 0 238.375 2.008 10 0 BEAERO Clc1cccnc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493294 410201020 /nfs/dbraw/zinc/20/10/20/410201020.db2.gz CJSUJFMPOYILHB-VIFPVBQESA-N 1 0 225.723 2.289 10 0 BEAERO Cc1ccc(Cn2cc(C(C)(C)[NH3+])nn2)cc1C ZINC000070117950 410664354 /nfs/dbraw/zinc/66/43/54/410664354.db2.gz GKCKFEHLLLIXKK-UHFFFAOYSA-N 1 0 244.342 2.137 10 0 BEAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000393721380 410754987 /nfs/dbraw/zinc/75/49/87/410754987.db2.gz IOZGKRRSVFPQFG-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)CCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC000037984508 166817741 /nfs/dbraw/zinc/81/77/41/166817741.db2.gz DWUZWTQHAVJBGY-GFCCVEGCSA-N 1 0 228.380 2.173 10 0 BEAERO [NH3+]CC1(CCNc2nccc3occc32)CC1 ZINC000395916368 410865331 /nfs/dbraw/zinc/86/53/31/410865331.db2.gz VCBKZMVRQCEZLM-UHFFFAOYSA-N 1 0 231.299 2.369 10 0 BEAERO [NH3+]CC1(CCNc2ncc(Cl)cc2F)CC1 ZINC000395907560 410866733 /nfs/dbraw/zinc/86/67/33/410866733.db2.gz NFYPGNXJDODLHO-UHFFFAOYSA-N 1 0 243.713 2.415 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1Cl ZINC000040853890 410894436 /nfs/dbraw/zinc/89/44/36/410894436.db2.gz MSRSRTCOUDKJEE-LDYMZIIASA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)C[NH2+]CCCN(C)CCc1ccccn1 ZINC000052423827 167003577 /nfs/dbraw/zinc/00/35/77/167003577.db2.gz FGYVXSCDJBQULZ-UHFFFAOYSA-N 1 0 249.402 2.192 10 0 BEAERO CC(C)C[NH2+]CC[C@@H](O)c1cccs1 ZINC000049815468 167005549 /nfs/dbraw/zinc/00/55/49/167005549.db2.gz IGRDUXXPERACSF-SNVBAGLBSA-N 1 0 213.346 2.417 10 0 BEAERO CC(C)C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000048409105 167009686 /nfs/dbraw/zinc/00/96/86/167009686.db2.gz OKQOLVWYTPXODI-UHFFFAOYSA-N 1 0 203.289 2.309 10 0 BEAERO CC(C)C[NH2+]Cc1cccc(Cn2cncn2)c1 ZINC000047889484 167009693 /nfs/dbraw/zinc/00/96/93/167009693.db2.gz LLSLCCMPNNPZDO-UHFFFAOYSA-N 1 0 244.342 2.072 10 0 BEAERO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2ccccn2)[C@@H](C)C1 ZINC000152428948 167032915 /nfs/dbraw/zinc/03/29/15/167032915.db2.gz UDSRNGOPELWAJJ-YDHLFZDLSA-N 1 0 247.386 2.461 10 0 BEAERO CC(C)NC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000052042612 167035269 /nfs/dbraw/zinc/03/52/69/167035269.db2.gz UYPCMNMPSLPQOZ-NSHDSACASA-N 1 0 233.315 2.033 10 0 BEAERO CC(C)NC(=[NH2+])N[C@@H](C)Cc1ccc(F)cc1 ZINC000062034271 167035751 /nfs/dbraw/zinc/03/57/51/167035751.db2.gz KDIQQXDTNIZQQO-JTQLQIEISA-N 1 0 237.322 2.279 10 0 BEAERO CC(C)[NH2+]C1(C(N)=O)CCC(C(C)C)CC1 ZINC000054557290 167092252 /nfs/dbraw/zinc/09/22/52/167092252.db2.gz VDFCRWHUIPQKSX-UHFFFAOYSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[NH2+]CC(=O)c1cc(F)ccc1F ZINC000049815284 167096763 /nfs/dbraw/zinc/09/67/63/167096763.db2.gz HITPVXHQGMNSHW-UHFFFAOYSA-N 1 0 213.227 2.146 10 0 BEAERO CC(C)[NH2+]CCCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000077418280 167102852 /nfs/dbraw/zinc/10/28/52/167102852.db2.gz FFFAOLGIGVKUOM-UHFFFAOYSA-N 1 0 247.342 2.177 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)CO[C@H](C)c1ccccc1 ZINC000003609051 167111189 /nfs/dbraw/zinc/11/11/89/167111189.db2.gz MBNNABIVZGFXAG-TZMCWYRMSA-N 1 0 237.343 2.123 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)c1sccc1Cl ZINC000033829475 167111856 /nfs/dbraw/zinc/11/18/56/167111856.db2.gz PGTJDGZYRNIXBE-MRVPVSSYSA-N 1 0 219.737 2.433 10 0 BEAERO CC(C)[NH2+]C[C@H](O)c1cc2cc(O)ccc2o1 ZINC000027705036 167115556 /nfs/dbraw/zinc/11/55/56/167115556.db2.gz RXXGOBZGZGNUKR-NSHDSACASA-N 1 0 235.283 2.170 10 0 BEAERO CC(C)[NH2+][C@@H](CO)c1ccccc1Cl ZINC000038115775 167132363 /nfs/dbraw/zinc/13/23/63/167132363.db2.gz QHKHWWNWFJZHMK-NSHDSACASA-N 1 0 213.708 2.371 10 0 BEAERO CC(C)[NH2+][C@H]1CC[S@](=O)c2ccccc21 ZINC000040973559 167142760 /nfs/dbraw/zinc/14/27/60/167142760.db2.gz NJXMGUSDMLLRST-XHDPSFHLSA-N 1 0 223.341 2.237 10 0 BEAERO CC(C)[NH2+][C@H]1COc2c1ccc(F)c2F ZINC000062611325 167143033 /nfs/dbraw/zinc/14/30/33/167143033.db2.gz DWFYWWDKQFBWBH-VIFPVBQESA-N 1 0 213.227 2.396 10 0 BEAERO CC[NH+](CC)CCNc1ccccc1OC ZINC000020040082 169782655 /nfs/dbraw/zinc/78/26/55/169782655.db2.gz NABVBAHFAAXGCV-UHFFFAOYSA-N 1 0 222.332 2.449 10 0 BEAERO CC(C)OC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000062818614 167162915 /nfs/dbraw/zinc/16/29/15/167162915.db2.gz YLICCENUZKZKKT-UHFFFAOYSA-N 1 0 234.299 2.141 10 0 BEAERO CC(C)OCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483560 167230604 /nfs/dbraw/zinc/23/06/04/167230604.db2.gz PYYOOXRWCUTWQE-ZDUSSCGKSA-N 1 0 237.347 2.362 10 0 BEAERO CC(C)OCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000160043990 167243861 /nfs/dbraw/zinc/24/38/61/167243861.db2.gz LAMLIZCCLDPSCX-CYBMUJFWSA-N 1 0 235.327 2.394 10 0 BEAERO CC(C)OCCOc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000049261065 167248240 /nfs/dbraw/zinc/24/82/40/167248240.db2.gz ZVHDLNGMMOUVRL-GFCCVEGCSA-N 1 0 237.343 2.380 10 0 BEAERO CC(C)Oc1c(C[NH3+])cccc1OC1CC1 ZINC000095738087 167285268 /nfs/dbraw/zinc/28/52/68/167285268.db2.gz QOABXEQSKAXYOP-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)Oc1ccc(C[NH3+])cc1OC1CC1 ZINC000095737754 167291514 /nfs/dbraw/zinc/29/15/14/167291514.db2.gz ISLBTBVMVMCERU-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)Oc1ccc(C[NH3+])c(OC2CC2)c1 ZINC000095737979 167292657 /nfs/dbraw/zinc/29/26/57/167292657.db2.gz BTMZPFOZGMBCJO-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)Oc1ccc([C@@H]([NH3+])Cn2ccnc2)cc1 ZINC000023068021 167298958 /nfs/dbraw/zinc/29/89/58/167298958.db2.gz LMOZWKJGTUMZMA-AWEZNQCLSA-N 1 0 245.326 2.370 10 0 BEAERO CC(C)Oc1ccc([C@@]2(C)C[C@H]2[NH3+])cc1 ZINC000052126235 167301139 /nfs/dbraw/zinc/30/11/39/167301139.db2.gz CCPMRCYUDRNFIW-CHWSQXEVSA-N 1 0 205.301 2.463 10 0 BEAERO CC(C)Oc1cccc(CC2C[NH2+]C2)c1 ZINC000040640946 167303974 /nfs/dbraw/zinc/30/39/74/167303974.db2.gz RPBMPSJIJHFHOQ-UHFFFAOYSA-N 1 0 205.301 2.236 10 0 BEAERO CC(C)[C@@H](C)N(C)c1ncc(C[NH3+])s1 ZINC000054895924 167371781 /nfs/dbraw/zinc/37/17/81/167371781.db2.gz NAFPODUIFJIFMX-MRVPVSSYSA-N 1 0 213.350 2.083 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000309676649 167382761 /nfs/dbraw/zinc/38/27/61/167382761.db2.gz LXRYRLNODVBXEC-NEPJUHHUSA-N 1 0 221.348 2.080 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289313692 167383241 /nfs/dbraw/zinc/38/32/41/167383241.db2.gz SIKGPMIQVWKDIR-BDAKNGLRSA-N 1 0 228.361 2.331 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000128655763 167383286 /nfs/dbraw/zinc/38/32/86/167383286.db2.gz QYAROGPMPSOZJB-ZYHUDNBSSA-N 1 0 234.343 2.386 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1cn2c(n1)CCCC2 ZINC000309314325 167384095 /nfs/dbraw/zinc/38/40/95/167384095.db2.gz CQAVXTTXKCERDM-LLVKDONJSA-N 1 0 221.348 2.354 10 0 BEAERO CC(C)[C@@H](CCC[NH3+])C(=O)NC1CCCCC1 ZINC000076622496 167389329 /nfs/dbraw/zinc/38/93/29/167389329.db2.gz VXNRWMIZACLNQE-CYBMUJFWSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)[C@@H](CC[NH3+])C(=O)N(C)Cc1ccccc1 ZINC000076634162 167389602 /nfs/dbraw/zinc/38/96/02/167389602.db2.gz LNZIUYLQALSKHE-CQSZACIVSA-N 1 0 248.370 2.266 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccncc1 ZINC000049195694 167394384 /nfs/dbraw/zinc/39/43/84/167394384.db2.gz OAFHOSXUSCGDDF-GXTWGEPZSA-N 1 0 235.375 2.318 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cccc(O)c1 ZINC000049196509 167395522 /nfs/dbraw/zinc/39/55/22/167395522.db2.gz VWZBCMZCIBMAKB-CQSZACIVSA-N 1 0 236.359 2.068 10 0 BEAERO CC(C)[C@@H](C[NH3+])n1cnc2ccccc21 ZINC000052576376 167397076 /nfs/dbraw/zinc/39/70/76/167397076.db2.gz LTHHENDWMGBQQF-GFCCVEGCSA-N 1 0 203.289 2.192 10 0 BEAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)OC[C@@H]1CCOC1 ZINC000052703808 167399244 /nfs/dbraw/zinc/39/92/44/167399244.db2.gz IWHFZKLQHRWDJZ-CHWSQXEVSA-N 1 0 243.391 2.452 10 0 BEAERO CC(C)[C@@H](CN[C@H](C)c1cccnc1)[NH+](C)C ZINC000020145631 167399486 /nfs/dbraw/zinc/39/94/86/167399486.db2.gz DSJLVGKAZPJCQO-TZMCWYRMSA-N 1 0 235.375 2.318 10 0 BEAERO CC[C@H]1CCC[N@H+](CCC(=O)NC(C)C)C1 ZINC000042145756 410970505 /nfs/dbraw/zinc/97/05/05/410970505.db2.gz BVSRZHYLVTVSGI-LBPRGKRZSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@H](C)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000042558761 411015192 /nfs/dbraw/zinc/01/51/92/411015192.db2.gz OTBVIPGNJGXBON-QYNFOATHSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCC(C)(C)C ZINC000399887366 411069582 /nfs/dbraw/zinc/06/95/82/411069582.db2.gz MMYOGUVMOAORFT-NSHDSACASA-N 1 0 228.380 2.254 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000399907931 411072002 /nfs/dbraw/zinc/07/20/02/411072002.db2.gz XHORTOBMLLTEAE-MNOVXSKESA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1CN(Cc2ccnc3ccccc23)C[C@H]1[NH3+] ZINC000300081506 411080662 /nfs/dbraw/zinc/08/06/62/411080662.db2.gz BJVHNMQVPDOMAZ-SMDDNHRTSA-N 1 0 241.338 2.014 10 0 BEAERO CC[C@]1(C)CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000399433048 411041424 /nfs/dbraw/zinc/04/14/24/411041424.db2.gz POXBBGQCTIBHIK-OUCADQQQSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)c1csc2cnc(CC[NH3+])n21 ZINC000071478898 167652654 /nfs/dbraw/zinc/65/26/54/167652654.db2.gz OVGGTPHONNMWHX-UHFFFAOYSA-N 1 0 209.318 2.020 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCCSCC2)c1 ZINC000657911204 411164947 /nfs/dbraw/zinc/16/49/47/411164947.db2.gz WFJNVMROBRBQDO-GFCCVEGCSA-N 1 0 239.388 2.067 10 0 BEAERO CC(C)c1nc2c(cccc2C[NH3+])n1C ZINC000076211800 167674148 /nfs/dbraw/zinc/67/41/48/167674148.db2.gz QPJCHPVABPOGKL-UHFFFAOYSA-N 1 0 203.289 2.155 10 0 BEAERO CC[NH+](CC)[C@H]1CCN(c2ccccc2CO)C1 ZINC000062966417 169802076 /nfs/dbraw/zinc/80/20/76/169802076.db2.gz VWKWAXQEFJHDAL-AWEZNQCLSA-N 1 0 248.370 2.099 10 0 BEAERO CC(C)n1c2cnccc2nc1[C@H]1CCC[NH2+]C1 ZINC000097673560 167740727 /nfs/dbraw/zinc/74/07/27/167740727.db2.gz PUKXUZLGXHSGOX-NSHDSACASA-N 1 0 244.342 2.479 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000048221078 411180262 /nfs/dbraw/zinc/18/02/62/411180262.db2.gz ABWDGESTKKXMGX-MPEURRAXSA-N 1 0 238.375 2.293 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655697494 411244460 /nfs/dbraw/zinc/24/44/60/411244460.db2.gz QONBMRGSBWAEKO-AVGNSLFASA-N 1 0 242.432 2.344 10 0 BEAERO CC(C)CC[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128933379 411192549 /nfs/dbraw/zinc/19/25/49/411192549.db2.gz YCAWLMNKPJHYAZ-VXGBXAGGSA-N 1 0 228.380 2.301 10 0 BEAERO CC(C)n1ncnc1C[NH2+][C@@H](C)C1CCC1 ZINC000124026752 411194451 /nfs/dbraw/zinc/19/44/51/411194451.db2.gz DJGMCBIXCJQMEU-JTQLQIEISA-N 1 0 222.336 2.137 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)CC1 ZINC000129062741 411216862 /nfs/dbraw/zinc/21/68/62/411216862.db2.gz NIOJDSMWBOWHTI-NEPJUHHUSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCCC[C@@H]1C ZINC000129082618 411218159 /nfs/dbraw/zinc/21/81/59/411218159.db2.gz UBDUPXUDLQCEBK-NWDGAFQWSA-N 1 0 226.364 2.151 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000313456200 411229596 /nfs/dbraw/zinc/22/95/96/411229596.db2.gz DHSIXRCIZVQDNZ-WDEREUQCSA-N 1 0 228.380 2.302 10 0 BEAERO COCC1(C[N@@H+]2CCC[C@H]2CCCO)CCC1 ZINC000310465808 411238364 /nfs/dbraw/zinc/23/83/64/411238364.db2.gz ZKFNZSBXTDPSTI-ZDUSSCGKSA-N 1 0 241.375 2.040 10 0 BEAERO [NH3+]CC1(NC(=O)C2CCCCC2)CCCCC1 ZINC000111369166 411167468 /nfs/dbraw/zinc/16/74/68/411167468.db2.gz BLDKMOQUCDQZNA-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO Cc1ccccc1C(=O)NC1(C[NH3+])CCCCC1 ZINC000111369251 411167557 /nfs/dbraw/zinc/16/75/57/411167557.db2.gz SEGJFBJSIQNBSW-UHFFFAOYSA-N 1 0 246.354 2.386 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000660147122 411262158 /nfs/dbraw/zinc/26/21/58/411262158.db2.gz MIZFXKKGIRGOEJ-HBNTYKKESA-N 1 0 233.302 2.125 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000660147116 411262177 /nfs/dbraw/zinc/26/21/77/411262177.db2.gz MIZFXKKGIRGOEJ-GARJFASQSA-N 1 0 233.302 2.125 10 0 BEAERO CCCN(CC(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000062912040 411328911 /nfs/dbraw/zinc/32/89/11/411328911.db2.gz ZIVGSCNAIBZVKR-JTQLQIEISA-N 1 0 238.297 2.260 10 0 BEAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])C1CCCC1 ZINC000069805799 411295596 /nfs/dbraw/zinc/29/55/96/411295596.db2.gz NBGPBJKREBUDCW-JTQLQIEISA-N 1 0 226.364 2.199 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C2CC(CO)C2)c(C)o1 ZINC000658355443 411298333 /nfs/dbraw/zinc/29/83/33/411298333.db2.gz HRDVKYQUULYHBM-GCVQQVDUSA-N 1 0 223.316 2.318 10 0 BEAERO C[C@@]1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1(F)F ZINC000658220120 411299299 /nfs/dbraw/zinc/29/92/99/411299299.db2.gz PIBDNNOEQZYJKJ-SVDPJWKOSA-N 1 0 245.313 2.435 10 0 BEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC(CO)C1 ZINC000658356910 411303555 /nfs/dbraw/zinc/30/35/55/411303555.db2.gz QLQKNTXEIQAJGD-HKLPJWPXSA-N 1 0 211.349 2.172 10 0 BEAERO CN(CC(C)(C)[NH3+])c1ncccc1C(F)(F)F ZINC000656608303 411307440 /nfs/dbraw/zinc/30/74/40/411307440.db2.gz DTZBUJQNROURQE-UHFFFAOYSA-N 1 0 247.264 2.274 10 0 BEAERO CN(CC(C)(C)[NH3+])c1ccc(C(F)(F)F)cn1 ZINC000656609776 411308639 /nfs/dbraw/zinc/30/86/39/411308639.db2.gz ULPJSEONXBKDDY-UHFFFAOYSA-N 1 0 247.264 2.274 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658241540 411309491 /nfs/dbraw/zinc/30/94/91/411309491.db2.gz XWJJXGWWHULTBJ-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658243724 411310188 /nfs/dbraw/zinc/31/01/88/411310188.db2.gz GFCQYNVLMIKYHY-QWHCGFSZSA-N 1 0 246.354 2.124 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCCC1 ZINC000658245203 411310305 /nfs/dbraw/zinc/31/03/05/411310305.db2.gz PYYJHUOKRFDAAH-VXGBXAGGSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658243782 411310528 /nfs/dbraw/zinc/31/05/28/411310528.db2.gz GUPIWKPIMPBNEN-JSGCOSHPSA-N 1 0 246.354 2.206 10 0 BEAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658243722 411310717 /nfs/dbraw/zinc/31/07/17/411310717.db2.gz GFCQYNVLMIKYHY-OLZOCXBDSA-N 1 0 246.354 2.124 10 0 BEAERO CC1(C)CC[NH+](Cc2csc(N)n2)CC1 ZINC000061820146 167921069 /nfs/dbraw/zinc/92/10/69/167921069.db2.gz RXGPJLPXZUEKPH-UHFFFAOYSA-N 1 0 225.361 2.347 10 0 BEAERO CCC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000660135010 411252499 /nfs/dbraw/zinc/25/24/99/411252499.db2.gz VHWWBDKCZDDZDU-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)[C@@H]1C ZINC000050565437 411259032 /nfs/dbraw/zinc/25/90/32/411259032.db2.gz HOEODLWWEMKNJA-OKZRHMCRSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1cc(C)cc(CNC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000659345547 411372710 /nfs/dbraw/zinc/37/27/10/411372710.db2.gz OICZGAOFOFOTHT-OAHLLOKOSA-N 1 0 246.354 2.062 10 0 BEAERO C[C@H](Cc1ccsc1)[NH2+]C1CC(CO)C1 ZINC000658350562 411352216 /nfs/dbraw/zinc/35/22/16/411352216.db2.gz GGMFKMLTRIPNQF-OIKLOGQESA-N 1 0 225.357 2.040 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cc(F)cc(F)c1 ZINC000658350599 411352528 /nfs/dbraw/zinc/35/25/28/411352528.db2.gz GOKXOOGMPYGNKX-BGQFSCJGSA-N 1 0 241.281 2.386 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCc3occc32)C1 ZINC000658351833 411353454 /nfs/dbraw/zinc/35/34/54/411353454.db2.gz ASNCGZASGXUIBV-CBINBANVSA-N 1 0 221.300 2.018 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000658351876 411354611 /nfs/dbraw/zinc/35/46/11/411354611.db2.gz QIDSEXXFMBDYGJ-WIQPZXRYSA-N 1 0 235.302 2.174 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1cccs1 ZINC000658352903 411355808 /nfs/dbraw/zinc/35/58/08/411355808.db2.gz ZUVWEXNPZVRQHK-IDKOKCKLSA-N 1 0 211.330 2.170 10 0 BEAERO C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000658352959 411355987 /nfs/dbraw/zinc/35/59/87/411355987.db2.gz IPMRPLZEWFPWQU-XVSSEFHLSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCCCC[C@H]1[NH2+]C1CC(CO)C1 ZINC000658352957 411356873 /nfs/dbraw/zinc/35/68/73/411356873.db2.gz IPMRPLZEWFPWQU-IKWCTNDRSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@@]1(C)CO ZINC000662143041 411366703 /nfs/dbraw/zinc/36/67/03/411366703.db2.gz MSWQXDVVFOGSHA-XPKDYRNWSA-N 1 0 245.366 2.277 10 0 BEAERO Cc1cc2ccccc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000063106321 411341745 /nfs/dbraw/zinc/34/17/45/411341745.db2.gz LQZPXOVMGAMXPE-CYBMUJFWSA-N 1 0 241.338 2.471 10 0 BEAERO CC1(C)[C@H]([NH2+]C2CC(F)(F)C2)[C@H]2CCO[C@H]21 ZINC000309418818 168004814 /nfs/dbraw/zinc/00/48/14/168004814.db2.gz JORHBYPAMPLLNM-OPRDCNLKSA-N 1 0 231.286 2.187 10 0 BEAERO CC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)COC1 ZINC000336753821 168044988 /nfs/dbraw/zinc/04/49/88/168044988.db2.gz HUJHVGSEMOKDSO-GHMZBOCLSA-N 1 0 215.312 2.141 10 0 BEAERO CC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000300359951 168045813 /nfs/dbraw/zinc/04/58/13/168045813.db2.gz SMCSFWIWJYVJKX-GMTAPVOTSA-N 1 0 209.333 2.190 10 0 BEAERO CC1(NC(=O)C2([NH3+])CCCCC2)CCCC1 ZINC000042188034 168054432 /nfs/dbraw/zinc/05/44/32/168054432.db2.gz CWDLZIXTPFCGIA-UHFFFAOYSA-N 1 0 224.348 2.097 10 0 BEAERO CC1([NH2+]Cc2ccncn2)CCCCC1 ZINC000054789871 168064096 /nfs/dbraw/zinc/06/40/96/168064096.db2.gz UKEWGSYVQAYTIY-UHFFFAOYSA-N 1 0 205.305 2.289 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC(C)C1 ZINC000348117636 168145369 /nfs/dbraw/zinc/14/53/69/168145369.db2.gz MFRTUJKJUBXLEP-POOIEITISA-N 1 0 211.349 2.436 10 0 BEAERO CC1CCC(CN)([N@H+](C)[C@@H]2CCSC2)CC1 ZINC000037174629 168152979 /nfs/dbraw/zinc/15/29/79/168152979.db2.gz BCVAKCFPTMGDAH-OTTFEQOBSA-N 1 0 242.432 2.331 10 0 BEAERO C[C@@H]1CC[N@@H+](C2(CN)CCC(C)CC2)C1 ZINC000040717203 168153270 /nfs/dbraw/zinc/15/32/70/168153270.db2.gz RSCQZUHETVAWTC-OTTFEQOBSA-N 1 0 210.365 2.236 10 0 BEAERO CC1CCC(C[NH2+]Cc2cncnc2)CC1 ZINC000062103751 168156376 /nfs/dbraw/zinc/15/63/76/168156376.db2.gz YOTAAHQQTMITLN-UHFFFAOYSA-N 1 0 219.332 2.393 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000336617118 168157076 /nfs/dbraw/zinc/15/70/76/168157076.db2.gz VOWFNZQPDJBPIX-BPCQOVAHSA-N 1 0 238.375 2.023 10 0 BEAERO CC1CCC([N@H+](C)[C@@]2(CN)CCSC2)CC1 ZINC000042472996 168159467 /nfs/dbraw/zinc/15/94/67/168159467.db2.gz VXKCTOUCONECRP-WXRRBKDZSA-N 1 0 242.432 2.331 10 0 BEAERO CC1CCC(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000019506514 168161341 /nfs/dbraw/zinc/16/13/41/168161341.db2.gz HBGVDUCNWCTXBC-KPFVRQRISA-N 1 0 238.375 2.212 10 0 BEAERO CC1CCC([NH2+]C2CCS(=O)CC2)CC1 ZINC000042335658 168162943 /nfs/dbraw/zinc/16/29/43/168162943.db2.gz VFYCBORQWGSCCQ-UHFFFAOYSA-N 1 0 229.389 2.066 10 0 BEAERO CC1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000037490876 168165630 /nfs/dbraw/zinc/16/56/30/168165630.db2.gz UDIWHNDBKLQGCV-IFWUJCSASA-N 1 0 211.349 2.458 10 0 BEAERO CC1CCC(OC(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000048633069 168166599 /nfs/dbraw/zinc/16/65/99/168166599.db2.gz RIISBARVMXEEEE-QEIKUCIBSA-N 1 0 225.332 2.236 10 0 BEAERO CC1CCC(OC(=O)C2([NH3+])CCCC2)CC1 ZINC000048633068 168167298 /nfs/dbraw/zinc/16/72/98/168167298.db2.gz VCKPGXDBZVBXRB-UHFFFAOYSA-N 1 0 225.332 2.380 10 0 BEAERO CC1CCC(Oc2ccc(C(N)=[NH2+])cn2)CC1 ZINC000019477161 168168300 /nfs/dbraw/zinc/16/83/00/168168300.db2.gz GFLVBPPYZZVRPW-UHFFFAOYSA-N 1 0 233.315 2.323 10 0 BEAERO CC1CC[NH+](CC2(CO)CCCC2)CC1 ZINC000049815047 168178561 /nfs/dbraw/zinc/17/85/61/168178561.db2.gz RVAKBVAFJICFQZ-UHFFFAOYSA-N 1 0 211.349 2.271 10 0 BEAERO CCC(C)(C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055145506 168288018 /nfs/dbraw/zinc/28/80/18/168288018.db2.gz IUJLPHZECZRSKO-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1cccnc1 ZINC000042226150 168290692 /nfs/dbraw/zinc/29/06/92/168290692.db2.gz NIMIUBMXULVIQV-LLVKDONJSA-N 1 0 249.358 2.037 10 0 BEAERO CCC(C)(C)NC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055145497 168294066 /nfs/dbraw/zinc/29/40/66/168294066.db2.gz FDTQABAYCZPOEW-WDEREUQCSA-N 1 0 226.364 2.056 10 0 BEAERO CCC(C)(C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019487984 168296466 /nfs/dbraw/zinc/29/64/66/168296466.db2.gz CEZCOBFOVZOIIZ-SDDRHHMPSA-N 1 0 238.375 2.212 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659339356 411398471 /nfs/dbraw/zinc/39/84/71/411398471.db2.gz HOQVOORZOKYAAG-SRVKXCTJSA-N 1 0 240.391 2.445 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659341018 411400244 /nfs/dbraw/zinc/40/02/44/411400244.db2.gz YGMYGHIRGSLLEP-NWDGAFQWSA-N 1 0 240.391 2.317 10 0 BEAERO Cc1cc(C)cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000659345496 411400433 /nfs/dbraw/zinc/40/04/33/411400433.db2.gz MKDSFMXRGYKDAJ-KGLIPLIRSA-N 1 0 246.354 2.047 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000659359023 411401402 /nfs/dbraw/zinc/40/14/02/411401402.db2.gz VRCWVXWRRRTJEQ-LLVKDONJSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)CC1(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000659380742 411407648 /nfs/dbraw/zinc/40/76/48/411407648.db2.gz BTQCVVJXQVEMON-NWDGAFQWSA-N 1 0 238.375 2.199 10 0 BEAERO C[N@@H+]1CCCOC[C@H]1c1ccc2ccnnc2c1 ZINC000616648270 411410910 /nfs/dbraw/zinc/41/09/10/411410910.db2.gz CYQVSYKJMXSFSH-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO C[N@@H+]1CCO[C@H](c2cccc3ccnnc32)CC1 ZINC000616687256 411414952 /nfs/dbraw/zinc/41/49/52/411414952.db2.gz QLONRKMLCLTABT-ZDUSSCGKSA-N 1 0 243.310 2.023 10 0 BEAERO CC[C@H]1CCCC[C@H]1[NH2+]C1CC(CO)C1 ZINC000658354839 411416773 /nfs/dbraw/zinc/41/67/73/411416773.db2.gz DXYYBZUBLBSNNP-PYNQCMFNSA-N 1 0 211.349 2.316 10 0 BEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1ccccc1C ZINC000042441341 169880146 /nfs/dbraw/zinc/88/01/46/169880146.db2.gz TXPYYARYHCUUSH-NSHDSACASA-N 1 0 234.343 2.052 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000306026074 411430792 /nfs/dbraw/zinc/43/07/92/411430792.db2.gz MVAHUJREMSEMNQ-GXTWGEPZSA-N 1 0 233.355 2.323 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@H]([NH3+])C2CC2)n1 ZINC000122600865 411434351 /nfs/dbraw/zinc/43/43/51/411434351.db2.gz UABGXGPRUVIXIZ-NSHDSACASA-N 1 0 234.347 2.058 10 0 BEAERO CC[C@@H]1CN(c2nc(C)c(C)s2)CC[C@@H]1[NH3+] ZINC000123021338 411437570 /nfs/dbraw/zinc/43/75/70/411437570.db2.gz HAMGOPRYBYEVQQ-MNOVXSKESA-N 1 0 239.388 2.324 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000123209057 411438900 /nfs/dbraw/zinc/43/89/00/411438900.db2.gz PPKYFKHYSLDYQQ-XQHKEYJVSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655737266 411443024 /nfs/dbraw/zinc/44/30/24/411443024.db2.gz OOABXLMEPYYLCD-RCWTZXSCSA-N 1 0 215.362 2.038 10 0 BEAERO CCN(Cc1ccncc1)C(=[NH2+])NCC(C)C ZINC000052039249 169924173 /nfs/dbraw/zinc/92/41/73/169924173.db2.gz YAALNXJCNWRTFE-UHFFFAOYSA-N 1 0 234.347 2.084 10 0 BEAERO CC[C@@H]1C[C@@H]([NH2+][C@H](CC(C)C)CN(C)C)CO1 ZINC000657347074 411471673 /nfs/dbraw/zinc/47/16/73/411471673.db2.gz SDBMCJXIJVGULX-MGPQQGTHSA-N 1 0 242.407 2.120 10 0 BEAERO C[C@H](CCCC(F)(F)F)[NH2+]C1CC(CO)C1 ZINC000658354286 411475773 /nfs/dbraw/zinc/47/57/73/411475773.db2.gz ZHPRLSHQPFUVIP-XNWIYYODSA-N 1 0 239.281 2.468 10 0 BEAERO CCN(c1cc(C)ccc1C[NH3+])[C@H](C)COC ZINC000051579791 169941189 /nfs/dbraw/zinc/94/11/89/169941189.db2.gz GUAGLZFEENQIFR-GFCCVEGCSA-N 1 0 236.359 2.315 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657421933 411503324 /nfs/dbraw/zinc/50/33/24/411503324.db2.gz SBNPBENXTAYPBS-OIBJUYFYSA-N 1 0 245.244 2.371 10 0 BEAERO CC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000659941243 411504288 /nfs/dbraw/zinc/50/42/88/411504288.db2.gz WRZULOJTSAJPBQ-DGCLKSJQSA-N 1 0 211.349 2.412 10 0 BEAERO CC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CCO1 ZINC000069889601 411504793 /nfs/dbraw/zinc/50/47/93/411504793.db2.gz PFNCIZFFPXKDQU-XQQFMLRXSA-N 1 0 227.348 2.103 10 0 BEAERO Cc1c[nH]c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000657456643 411517717 /nfs/dbraw/zinc/51/77/17/411517717.db2.gz WCVBLGLGVOAEGA-QWRGUYRKSA-N 1 0 237.347 2.011 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccc(C)s1 ZINC000083346377 170000058 /nfs/dbraw/zinc/00/00/58/170000058.db2.gz NFUYPHIFHFZGEQ-SNVBAGLBSA-N 1 0 210.346 2.023 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000071531934 170000367 /nfs/dbraw/zinc/00/03/67/170000367.db2.gz FZVXVQLEWBXOGI-LBPRGKRZSA-N 1 0 224.735 2.306 10 0 BEAERO CCN1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000056894771 170000885 /nfs/dbraw/zinc/00/08/85/170000885.db2.gz ULOKDMONFNPDPB-GFCCVEGCSA-N 1 0 224.735 2.306 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](CO)C1 ZINC000079935324 170013904 /nfs/dbraw/zinc/01/39/04/170013904.db2.gz XPULMVDJJYGRIL-JSGCOSHPSA-N 1 0 237.318 2.243 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000328200512 170013941 /nfs/dbraw/zinc/01/39/41/170013941.db2.gz RUQXYLCEWICUMR-GHMZBOCLSA-N 1 0 208.305 2.024 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)C1 ZINC000336895515 170020257 /nfs/dbraw/zinc/02/02/57/170020257.db2.gz MZAGRJRUZNNMFA-MJBXVCDLSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000334578966 170022428 /nfs/dbraw/zinc/02/24/28/170022428.db2.gz MZSZOWFDNNGMKS-DZGCQCFKSA-N 1 0 248.345 2.497 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000328339210 170022699 /nfs/dbraw/zinc/02/26/99/170022699.db2.gz KIAZMQWXSLBHQD-JQWIXIFHSA-N 1 0 224.373 2.493 10 0 BEAERO CCN1CCc2nc([C@](C)([NH3+])CC)sc2C1 ZINC000041059529 170025819 /nfs/dbraw/zinc/02/58/19/170025819.db2.gz NYYBVURATATFMQ-GFCCVEGCSA-N 1 0 239.388 2.105 10 0 BEAERO CC[N@@H+]1C[C@@H](C)NC[C@@H]1C1CCCCC1 ZINC000082935498 170027487 /nfs/dbraw/zinc/02/74/87/170027487.db2.gz QUBGJBSFYUPXEJ-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000309897293 170029514 /nfs/dbraw/zinc/02/95/14/170029514.db2.gz GIYHLHVRSARQJU-OCCSQVGLSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccs2)C1 ZINC000336753923 170030594 /nfs/dbraw/zinc/03/05/94/170030594.db2.gz HCUNMUGDDUWZOL-PWSUYJOCSA-N 1 0 224.373 2.178 10 0 BEAERO CC[N@@H+]1C[C@H](C)NC[C@@H]1C1CCCCC1 ZINC000082935497 170033559 /nfs/dbraw/zinc/03/35/59/170033559.db2.gz QUBGJBSFYUPXEJ-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779496 170036873 /nfs/dbraw/zinc/03/68/73/170036873.db2.gz OMEJVAWPHZYCAS-QWHCGFSZSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000336778426 170037365 /nfs/dbraw/zinc/03/73/65/170037365.db2.gz LIMOKJHHXAGNLE-AVGNSLFASA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H]([NH2+][C@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000309907559 170037636 /nfs/dbraw/zinc/03/76/36/170037636.db2.gz KZLCTQWWBXWHDO-AVGNSLFASA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000336678613 170039268 /nfs/dbraw/zinc/03/92/68/170039268.db2.gz BXJAILTWRAYRNZ-ZOBORPQBSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000336763985 170039378 /nfs/dbraw/zinc/03/93/78/170039378.db2.gz PMFJRTVGBCFJQA-WUHRBBMRSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000309066130 170039566 /nfs/dbraw/zinc/03/95/66/170039566.db2.gz ZNKRKHLHGCFOGM-DMDPSCGWSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000309046083 170040049 /nfs/dbraw/zinc/04/00/49/170040049.db2.gz ORNZPOCMYHDFLA-MROQNXINSA-N 1 0 210.365 2.105 10 0 BEAERO CCNC(=[NH2+])N(C)Cc1ccccc1Cl ZINC000052038652 170041422 /nfs/dbraw/zinc/04/14/22/170041422.db2.gz XHOUFAOTMSSHMH-UHFFFAOYSA-N 1 0 225.723 2.316 10 0 BEAERO CCNC(=O)CC[N@H+](CC)Cc1ccccc1 ZINC000046502256 170050830 /nfs/dbraw/zinc/05/08/30/170050830.db2.gz ACUOKAFRSQABES-UHFFFAOYSA-N 1 0 234.343 2.035 10 0 BEAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccccc1F ZINC000047848311 170052892 /nfs/dbraw/zinc/05/28/92/170052892.db2.gz ALTOUJYIBQSQOG-JTQLQIEISA-N 1 0 238.306 2.003 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000036780361 170064558 /nfs/dbraw/zinc/06/45/58/170064558.db2.gz QGDFFYDTFSWFKV-LBPRGKRZSA-N 1 0 234.343 2.090 10 0 BEAERO CCNC(=O)Nc1ccccc1[C@@H](C)[NH2+]CC ZINC000035645802 170085355 /nfs/dbraw/zinc/08/53/55/170085355.db2.gz BTMYJTJVNLSKBB-SNVBAGLBSA-N 1 0 235.331 2.499 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@H](C)C[C@H]1C ZINC000061299429 170106710 /nfs/dbraw/zinc/10/67/10/170106710.db2.gz XPVWELSOXIEABT-WDEREUQCSA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000061299382 170106898 /nfs/dbraw/zinc/10/68/98/170106898.db2.gz BONDGFQLJIXHPA-GHMZBOCLSA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000061299883 170107442 /nfs/dbraw/zinc/10/74/42/170107442.db2.gz UKTFZOXOOUWOGP-QWHCGFSZSA-N 1 0 240.391 2.018 10 0 BEAERO CC[NH2+]C(C)(C)CN1C[C@H](C)C[C@H](C)C1 ZINC000061299625 170107638 /nfs/dbraw/zinc/10/76/38/170107638.db2.gz BCBHVKQJXVIWJD-TXEJJXNPSA-N 1 0 212.381 2.352 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1C ZINC000061287959 170107789 /nfs/dbraw/zinc/10/77/89/170107789.db2.gz NFGDQIAKYTWGNJ-UHFFFAOYSA-N 1 0 220.316 2.322 10 0 BEAERO CC[NH2+]C(C)(C)CN1CC[C@H](C)C[C@@H]1C ZINC000061299967 170107793 /nfs/dbraw/zinc/10/77/93/170107793.db2.gz MEVHRVPSLAHUKW-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000061291030 170107836 /nfs/dbraw/zinc/10/78/36/170107836.db2.gz XLHQIYYOLOFRHV-JTQLQIEISA-N 1 0 238.331 2.153 10 0 BEAERO CC[NH2+]CCC(=O)N(CC)CCc1ccccc1 ZINC000061295588 170111427 /nfs/dbraw/zinc/11/14/27/170111427.db2.gz AZLBRBTUTACCFK-UHFFFAOYSA-N 1 0 248.370 2.077 10 0 BEAERO CC[NH2+]CCC(=O)c1cc(F)ccc1OC ZINC000049820012 170111875 /nfs/dbraw/zinc/11/18/75/170111875.db2.gz FWIAPWLWZDGWDR-UHFFFAOYSA-N 1 0 225.263 2.017 10 0 BEAERO CC[NH2+]CCC(=O)N[C@H](CC)C1CCCCC1 ZINC000061299472 170111965 /nfs/dbraw/zinc/11/19/65/170111965.db2.gz GMONHUITHRZASX-CYBMUJFWSA-N 1 0 240.391 2.461 10 0 BEAERO CC[NH2+]CCCNc1nncc2ccccc21 ZINC000038043480 170113056 /nfs/dbraw/zinc/11/30/56/170113056.db2.gz RBGYFNPKFINFKM-UHFFFAOYSA-N 1 0 230.315 2.041 10 0 BEAERO CC[NH2+]CCC[C@H](O)c1ccc(OC)cc1 ZINC000076858652 170113413 /nfs/dbraw/zinc/11/34/13/170113413.db2.gz XQPYUVWGAMQAFT-ZDUSSCGKSA-N 1 0 223.316 2.118 10 0 BEAERO CC[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095091528 170117178 /nfs/dbraw/zinc/11/71/78/170117178.db2.gz YGFHVUBOUQQQQS-NSHDSACASA-N 1 0 242.363 2.243 10 0 BEAERO CC[NH2+]CCc1cccc2cccnc21 ZINC000053302048 170118009 /nfs/dbraw/zinc/11/80/09/170118009.db2.gz YYCRUZUMKIHCMC-UHFFFAOYSA-N 1 0 200.285 2.387 10 0 BEAERO CC[NH2+]CCc1nnc(-c2cc(F)ccc2C)o1 ZINC000062667242 170118037 /nfs/dbraw/zinc/11/80/37/170118037.db2.gz HPVAMSQDJFKUAG-UHFFFAOYSA-N 1 0 249.289 2.336 10 0 BEAERO CC[NH2+]CCc1nc2cc(OC)ccc2n1CC ZINC000074297982 170118067 /nfs/dbraw/zinc/11/80/67/170118067.db2.gz SBZGCLDTFYKVCZ-UHFFFAOYSA-N 1 0 247.342 2.217 10 0 BEAERO CC[NH2+]CCc1nnc(-c2cccc(F)c2)o1 ZINC000050619692 170118250 /nfs/dbraw/zinc/11/82/50/170118250.db2.gz RPSIPQNRDSSOGY-UHFFFAOYSA-N 1 0 235.262 2.028 10 0 BEAERO CC[NH2+]CCc1nc2c(cccc2F)n1CC ZINC000051784331 170118431 /nfs/dbraw/zinc/11/84/31/170118431.db2.gz GDUPOAZYFXASGL-UHFFFAOYSA-N 1 0 235.306 2.347 10 0 BEAERO CC[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000032102189 170119017 /nfs/dbraw/zinc/11/90/17/170119017.db2.gz ZDGKDVOLKBDSJD-CQSZACIVSA-N 1 0 245.322 2.189 10 0 BEAERO CC[NH2+]C[C@@H](C)n1ncc2ccccc21 ZINC000052574245 170119269 /nfs/dbraw/zinc/11/92/69/170119269.db2.gz XYYDAEGLMVBZCD-SNVBAGLBSA-N 1 0 203.289 2.207 10 0 BEAERO CC[NH2+]C[C@@H](C)c1nncn1C1CCCCC1 ZINC000061221523 170119395 /nfs/dbraw/zinc/11/93/95/170119395.db2.gz NTDHZZVMZDHNSD-LLVKDONJSA-N 1 0 236.363 2.496 10 0 BEAERO CC[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000052420212 170119465 /nfs/dbraw/zinc/11/94/65/170119465.db2.gz VNERVNMFDLXXHJ-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO CC[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000052382869 170119470 /nfs/dbraw/zinc/11/94/70/170119470.db2.gz YLXXCKRTMZDJLV-SNVBAGLBSA-N 1 0 224.373 2.104 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(SCC)cc1 ZINC000096890900 170119841 /nfs/dbraw/zinc/11/98/41/170119841.db2.gz XFWQZUMMGDXPFN-GFCCVEGCSA-N 1 0 225.357 2.442 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2cccc(F)c2)C1 ZINC000053010150 170120261 /nfs/dbraw/zinc/12/02/61/170120261.db2.gz JDMFDUFJDIAYPP-NSHDSACASA-N 1 0 222.307 2.262 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1ccc(C)c(C)c1 ZINC000032011827 170120775 /nfs/dbraw/zinc/12/07/75/170120775.db2.gz FYZTVDQNWBSERZ-CYBMUJFWSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000061267672 170120873 /nfs/dbraw/zinc/12/08/73/170120873.db2.gz PPWWZCYSJXLCOV-RWMBFGLXSA-N 1 0 240.391 2.269 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1ccc(F)c(Cl)c1 ZINC000055032867 170121287 /nfs/dbraw/zinc/12/12/87/170121287.db2.gz LGQIWNAMTGBRQO-LLVKDONJSA-N 1 0 231.698 2.296 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000054590667 170121351 /nfs/dbraw/zinc/12/13/51/170121351.db2.gz RCMBTSIYOUUEMW-AAEUAGOBSA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000061228022 170122015 /nfs/dbraw/zinc/12/20/15/170122015.db2.gz SUJCCVPYVPJRRQ-JTQLQIEISA-N 1 0 238.306 2.318 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)NC1CCCCCCC1 ZINC000061227529 170122220 /nfs/dbraw/zinc/12/22/20/170122220.db2.gz ZFIBCEAOFLWWQJ-LBPRGKRZSA-N 1 0 240.391 2.461 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000032101481 170122753 /nfs/dbraw/zinc/12/27/53/170122753.db2.gz SJCBQEVXEUKDFH-JTQLQIEISA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+]C[C@H](O)c1cc(Cl)ccc1F ZINC000083264699 170122848 /nfs/dbraw/zinc/12/28/48/170122848.db2.gz HMFCYAWNIQWRAI-JTQLQIEISA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1ccccc1OC ZINC000054590434 170123269 /nfs/dbraw/zinc/12/32/69/170123269.db2.gz AINYNDXNZLOIMT-ZYHUDNBSSA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000054590568 170123352 /nfs/dbraw/zinc/12/33/52/170123352.db2.gz KBACXFDWWKANJA-DGCLKSJQSA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]Cc1c(Cl)nc2sccn12 ZINC000040538461 170124505 /nfs/dbraw/zinc/12/45/05/170124505.db2.gz XSJQNJDZPOCMAX-UHFFFAOYSA-N 1 0 215.709 2.159 10 0 BEAERO CC[NH2+]Cc1ccc(CN2CCO[C@@H](C)C2)cc1 ZINC000052382656 170126130 /nfs/dbraw/zinc/12/61/30/170126130.db2.gz XNSJPXPIPNTDKW-ZDUSSCGKSA-N 1 0 248.370 2.017 10 0 BEAERO CC[NH2+]Cc1ccc(-n2cccn2)c(F)c1 ZINC000034653467 170126872 /nfs/dbraw/zinc/12/68/72/170126872.db2.gz UJJHJFAYYBLRSG-UHFFFAOYSA-N 1 0 219.263 2.121 10 0 BEAERO CC[NH2+]Cc1ccc(N2CCC[C@H](C)CC2)nn1 ZINC000104352142 170127327 /nfs/dbraw/zinc/12/73/27/170127327.db2.gz WCBQGVPQHJBXBS-LBPRGKRZSA-N 1 0 248.374 2.213 10 0 BEAERO CC[NH2+]Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000034816326 170127931 /nfs/dbraw/zinc/12/79/31/170127931.db2.gz JEBCFGPHLYKARS-CQSZACIVSA-N 1 0 235.327 2.354 10 0 BEAERO CC[NH2+]Cc1cccc(-c2cncnc2)c1 ZINC000052886617 170128189 /nfs/dbraw/zinc/12/81/89/170128189.db2.gz SYKMOXNRKRKBAP-UHFFFAOYSA-N 1 0 213.284 2.253 10 0 BEAERO CC[NH2+]Cc1cccc(N(C)CC(F)(F)F)n1 ZINC000051447798 170128255 /nfs/dbraw/zinc/12/82/55/170128255.db2.gz OGYIGSKXOJYDGA-UHFFFAOYSA-N 1 0 247.264 2.190 10 0 BEAERO CC[NH2+]Cc1cccc(CN2CCOC[C@@H]2C)c1 ZINC000052475773 170128409 /nfs/dbraw/zinc/12/84/09/170128409.db2.gz FISRQKKVXRBPDS-ZDUSSCGKSA-N 1 0 248.370 2.017 10 0 BEAERO CC[NH2+]Cc1cccc(N2CC[C@H](C)C2)n1 ZINC000051448249 170128580 /nfs/dbraw/zinc/12/85/80/170128580.db2.gz RXHMWCJHNBMICX-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)C1CC1 ZINC000036281435 170128858 /nfs/dbraw/zinc/12/88/58/170128858.db2.gz CSHKHYIZIUZULD-UHFFFAOYSA-N 1 0 218.300 2.145 10 0 BEAERO CC[NH2+]Cc1ccnc(-c2ccccc2)n1 ZINC000045206103 170129444 /nfs/dbraw/zinc/12/94/44/170129444.db2.gz SPLOXRITNYLTCO-UHFFFAOYSA-N 1 0 213.284 2.253 10 0 BEAERO CC[NH2+]Cc1csc(N2CCC[C@@H](C)C2)n1 ZINC000062214914 170130221 /nfs/dbraw/zinc/13/02/21/170130221.db2.gz WELOWIMEVBMICX-SNVBAGLBSA-N 1 0 239.388 2.489 10 0 BEAERO CC[NH2+]Cc1cnc(Cc2ccc(F)cc2)nc1 ZINC000054855602 170130562 /nfs/dbraw/zinc/13/05/62/170130562.db2.gz QPERUVWPUNYKAK-UHFFFAOYSA-N 1 0 245.301 2.316 10 0 BEAERO CC[NH2+]Cc1cnc(N2CC[C@H](C)C2)s1 ZINC000054905902 170130902 /nfs/dbraw/zinc/13/09/02/170130902.db2.gz YTPPYDYQMGQFLB-VIFPVBQESA-N 1 0 225.361 2.099 10 0 BEAERO CC[NH2+]Cc1nnnn1C1CCCCCCC1 ZINC000054745352 170131840 /nfs/dbraw/zinc/13/18/40/170131840.db2.gz KLBCXSCGJFFTQP-UHFFFAOYSA-N 1 0 237.351 2.068 10 0 BEAERO CC[NH2+]Cc1occc1COc1cccnc1 ZINC000052646481 170133118 /nfs/dbraw/zinc/13/31/18/170133118.db2.gz SZNUCQGVLQMKMP-UHFFFAOYSA-N 1 0 232.283 2.363 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OC)c(CC)c1 ZINC000071548270 170140604 /nfs/dbraw/zinc/14/06/04/170140604.db2.gz RBTRKPNXCYWGCE-IINYFYTJSA-N 1 0 237.343 2.289 10 0 BEAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(OC)c(Cl)c1 ZINC000071558199 170141154 /nfs/dbraw/zinc/14/11/54/170141154.db2.gz AQTYEZDBKAJYFV-UFBFGSQYSA-N 1 0 243.734 2.380 10 0 BEAERO CC[NH2+][C@@H](C)c1ccccc1N(CCO)C1CC1 ZINC000042479898 170142047 /nfs/dbraw/zinc/14/20/47/170142047.db2.gz GWKXZCPDCZGXJS-LBPRGKRZSA-N 1 0 248.370 2.318 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc(N2CCCC2)nc1C ZINC000054962916 170142807 /nfs/dbraw/zinc/14/28/07/170142807.db2.gz VKPRYNZUOGZGQL-JTQLQIEISA-N 1 0 234.347 2.056 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc(N2CCCC2)s1 ZINC000054900004 170142874 /nfs/dbraw/zinc/14/28/74/170142874.db2.gz HSUXAEJHENMAHH-VIFPVBQESA-N 1 0 225.361 2.414 10 0 BEAERO CC[NH2+][C@@H](CO[C@H]1CCOC1)c1ccccc1 ZINC000104102763 170145950 /nfs/dbraw/zinc/14/59/50/170145950.db2.gz NTNFBYCYLBXAKV-KBPBESRZSA-N 1 0 235.327 2.143 10 0 BEAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)c1cccnc1 ZINC000050542623 170146402 /nfs/dbraw/zinc/14/64/02/170146402.db2.gz SVUKAFJXKVOXKJ-AWEZNQCLSA-N 1 0 244.342 2.191 10 0 BEAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1cc(C)ccn1 ZINC000104407197 170146455 /nfs/dbraw/zinc/14/64/55/170146455.db2.gz JVEKPECGQUOWFS-AWEZNQCLSA-N 1 0 244.342 2.017 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccccc1OC ZINC000035570357 170146536 /nfs/dbraw/zinc/14/65/36/170146536.db2.gz WRGDXUHRVYHKRF-LBPRGKRZSA-N 1 0 245.326 2.312 10 0 BEAERO CC[NH2+][C@@H](COC)Cc1ccc(OC)c(F)c1 ZINC000060697442 170146869 /nfs/dbraw/zinc/14/68/69/170146869.db2.gz PMTXBIGRKBJJSY-LLVKDONJSA-N 1 0 241.306 2.001 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(F)cc1 ZINC000035570407 170146877 /nfs/dbraw/zinc/14/68/77/170146877.db2.gz GPTIOBLZNBSOOX-LBPRGKRZSA-N 1 0 233.290 2.442 10 0 BEAERO CC[NH2+][C@@H](c1cc(C)ccc1C)[C@H]1COCCO1 ZINC000055300049 170147532 /nfs/dbraw/zinc/14/75/32/170147532.db2.gz DHHYXXNKXQERLW-CABCVRRESA-N 1 0 249.354 2.369 10 0 BEAERO CC[NH2+][C@@H](c1cccc(OC)c1)[C@@H]1CCOC1 ZINC000104101594 170148261 /nfs/dbraw/zinc/14/82/61/170148261.db2.gz YRWNUYLWMPALMW-OCCSQVGLSA-N 1 0 235.327 2.382 10 0 BEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000035542419 170148482 /nfs/dbraw/zinc/14/84/82/170148482.db2.gz WPOMMKNOIMVUGT-GJZGRUSLSA-N 1 0 247.338 2.451 10 0 BEAERO CC[NH2+][C@@H](c1ccncc1)c1cccnc1 ZINC000037761936 170148733 /nfs/dbraw/zinc/14/87/33/170148733.db2.gz WRUBYHLJTUCAAL-ZDUSSCGKSA-N 1 0 213.284 2.176 10 0 BEAERO CC[NH2+][C@@H](c1cncc(F)c1)c1ccccn1 ZINC000049576290 170149666 /nfs/dbraw/zinc/14/96/66/170149666.db2.gz OKHBEIHEWFDWDO-ZDUSSCGKSA-N 1 0 231.274 2.315 10 0 BEAERO CC[NH2+][C@@H]1CCCCCC[C@H]1C(=O)OC ZINC000309034325 170150222 /nfs/dbraw/zinc/15/02/22/170150222.db2.gz HCIIUKDCKYAEIG-GHMZBOCLSA-N 1 0 213.321 2.108 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@H]1N(CC)CCOCC ZINC000104186839 170150855 /nfs/dbraw/zinc/15/08/55/170150855.db2.gz LHNZEZRVQBDBII-ZIAGYGMSSA-N 1 0 242.407 2.266 10 0 BEAERO CC[NH2+][C@@H]1CCC[S@](=O)c2c(F)cccc21 ZINC000040976274 170151399 /nfs/dbraw/zinc/15/13/99/170151399.db2.gz NHCKQJDJQDTBDJ-BDJLRTHQSA-N 1 0 241.331 2.378 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(F)cc2C)C1 ZINC000037241417 170152950 /nfs/dbraw/zinc/15/29/50/170152950.db2.gz XQNVVZLMJOVELM-GFCCVEGCSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(C)ccc2F)C1 ZINC000037242233 170152996 /nfs/dbraw/zinc/15/29/96/170152996.db2.gz ODDPTIHKZQFAHL-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H]2CCC[C@H](C)[C@@H]2C)C1=O ZINC000049647821 170153149 /nfs/dbraw/zinc/15/31/49/170153149.db2.gz YCQCFDCFLZAWHJ-WUHRBBMRSA-N 1 0 238.375 2.022 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(C)c2)C1 ZINC000037242087 170153313 /nfs/dbraw/zinc/15/33/13/170153313.db2.gz PMQSJPUZBFPHGQ-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO CC[NH2+][C@@H]1CCc2cc(OC)cc(OC)c21 ZINC000042405372 170153698 /nfs/dbraw/zinc/15/36/98/170153698.db2.gz RHOJIDVPEKIDTN-LLVKDONJSA-N 1 0 221.300 2.301 10 0 BEAERO CC[NH2+][C@@H]1CCc2c1cccc2O[C@H]1CCOC1 ZINC000070072003 170153782 /nfs/dbraw/zinc/15/37/82/170153782.db2.gz WXWARESXCTWQJF-SMDDNHRTSA-N 1 0 247.338 2.451 10 0 BEAERO CC[NH2+][C@@H]1COc2c1cccc2Br ZINC000035654534 170153982 /nfs/dbraw/zinc/15/39/82/170153982.db2.gz IOKLBDAWJDGNMH-SECBINFHSA-N 1 0 242.116 2.492 10 0 BEAERO CC[NH2+][C@@H]1COc2ccc(OCC)cc21 ZINC000035654094 170154212 /nfs/dbraw/zinc/15/42/12/170154212.db2.gz RZAZDTISVWETNW-LLVKDONJSA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@@H]1CCc2c1cccc2OCC(C)(C)O ZINC000062799626 170154365 /nfs/dbraw/zinc/15/43/65/170154365.db2.gz SBUXFDQPPVZGGH-CYBMUJFWSA-N 1 0 249.354 2.433 10 0 BEAERO CC[NH2+][C@H](C)CN1CCCc2ccccc2C1 ZINC000062944508 170156747 /nfs/dbraw/zinc/15/67/47/170156747.db2.gz HHDJEMBHZIFHKW-CYBMUJFWSA-N 1 0 232.371 2.433 10 0 BEAERO CC[NH2+][C@H](C)c1nnc(-c2occc2C)o1 ZINC000050618698 170160277 /nfs/dbraw/zinc/16/02/77/170160277.db2.gz LHTBWJVPNYGFDK-MRVPVSSYSA-N 1 0 221.260 2.309 10 0 BEAERO CC[NH2+][C@H](C)c1cccc(NC(=O)NC)c1 ZINC000041708898 170160474 /nfs/dbraw/zinc/16/04/74/170160474.db2.gz BVQXXZVBWLXBFB-SECBINFHSA-N 1 0 221.304 2.108 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)Cc1ccc(C)cc1 ZINC000035570046 170162270 /nfs/dbraw/zinc/16/22/70/170162270.db2.gz RHMKSFCWRYIPAK-CQSZACIVSA-N 1 0 243.354 2.481 10 0 BEAERO CC[NH2+][C@H](CN1CCCO[C@H](C)C1)C(C)(C)C ZINC000061917340 170162478 /nfs/dbraw/zinc/16/24/78/170162478.db2.gz LWDYJXBUBPVVGB-CHWSQXEVSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+][C@H](Cc1ccccc1F)c1cnn(C)c1 ZINC000035556054 170163212 /nfs/dbraw/zinc/16/32/12/170163212.db2.gz MXPSFAPNKKWWLT-CQSZACIVSA-N 1 0 247.317 2.453 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccccc1OC ZINC000035570359 170163267 /nfs/dbraw/zinc/16/32/67/170163267.db2.gz WRGDXUHRVYHKRF-GFCCVEGCSA-N 1 0 245.326 2.312 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)Cc1ccccc1C ZINC000035570214 170163313 /nfs/dbraw/zinc/16/33/13/170163313.db2.gz CKIDZVNENBFZIZ-AWEZNQCLSA-N 1 0 243.354 2.481 10 0 BEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cccc(OC)c1 ZINC000035555922 170164212 /nfs/dbraw/zinc/16/42/12/170164212.db2.gz QFWHIWKMUWUTHE-CQSZACIVSA-N 1 0 245.326 2.128 10 0 BEAERO CC[NH2+][C@H](c1ncccn1)C1CCCC1 ZINC000037469184 170165235 /nfs/dbraw/zinc/16/52/35/170165235.db2.gz NIFCGIQDRLSQGL-NSHDSACASA-N 1 0 205.305 2.317 10 0 BEAERO CC[NH2+][C@H](c1ccncc1)c1cccnc1 ZINC000037761937 170165324 /nfs/dbraw/zinc/16/53/24/170165324.db2.gz WRUBYHLJTUCAAL-CYBMUJFWSA-N 1 0 213.284 2.176 10 0 BEAERO CC[NH2+][C@@H]1c2ccc(OC3CCC3)cc2NC1=O ZINC000103923972 170165776 /nfs/dbraw/zinc/16/57/76/170165776.db2.gz VVNSYRIAANGBLU-CYBMUJFWSA-N 1 0 246.310 2.221 10 0 BEAERO CC[NH2+][C@H]1CCC[S@](=O)c2ccc(F)cc21 ZINC000040974230 170166376 /nfs/dbraw/zinc/16/63/76/170166376.db2.gz KMKOGNQFSHIOJN-MEDUHNTESA-N 1 0 241.331 2.378 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2C)C1=O ZINC000049647790 170167463 /nfs/dbraw/zinc/16/74/63/170167463.db2.gz QIVHGTLDNZRTRF-LBPRGKRZSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000037241383 170167551 /nfs/dbraw/zinc/16/75/51/170167551.db2.gz OCBUSIGUURFRKE-NSHDSACASA-N 1 0 208.280 2.014 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccccn2)C[C@@H]1C ZINC000049712750 170167739 /nfs/dbraw/zinc/16/77/39/170167739.db2.gz HGTUJNGLGSFZLV-IHRRRGAJSA-N 1 0 247.386 2.463 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccco2)C1 ZINC000035739380 170168132 /nfs/dbraw/zinc/16/81/32/170168132.db2.gz MTSLFTLAPFHYRY-QWRGUYRKSA-N 1 0 208.305 2.024 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(OCC)c2)C1 ZINC000049568559 170168285 /nfs/dbraw/zinc/16/82/85/170168285.db2.gz BCBASUAPOKPFQJ-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccccc2C)C1 ZINC000048265871 170168314 /nfs/dbraw/zinc/16/83/14/170168314.db2.gz GMAWXFKITHKDKF-AWEZNQCLSA-N 1 0 218.344 2.179 10 0 BEAERO CC[NH2+][C@H]1CCOc2c(F)c(F)ccc21 ZINC000062611258 170168605 /nfs/dbraw/zinc/16/86/05/170168605.db2.gz BPSQAGJFFGREHS-VIFPVBQESA-N 1 0 213.227 2.398 10 0 BEAERO CC[NH2+][C@H]1CCc2c1cccc2O[C@@H]1CCOC1 ZINC000070072002 170168766 /nfs/dbraw/zinc/16/87/66/170168766.db2.gz WXWARESXCTWQJF-RISCZKNCSA-N 1 0 247.338 2.451 10 0 BEAERO CC[NH2+][C@H]1CCOc2c(OC)cc(C)cc21 ZINC000035652535 170168909 /nfs/dbraw/zinc/16/89/09/170168909.db2.gz JPDYRQRBKFLMJU-NSHDSACASA-N 1 0 221.300 2.437 10 0 BEAERO CCNc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000036913839 170170343 /nfs/dbraw/zinc/17/03/43/170170343.db2.gz AWXXMGDGCSJYEM-UHFFFAOYSA-N 1 0 231.324 2.301 10 0 BEAERO CC[NH2+][C@](C)(CO)c1ccc(F)c(Cl)c1 ZINC000038120277 170170549 /nfs/dbraw/zinc/17/05/49/170170549.db2.gz CDSFFITXCCMFDQ-LLVKDONJSA-N 1 0 231.698 2.296 10 0 BEAERO CCNc1cc(C[N@@H+]2CCC[C@H]2C)ccn1 ZINC000052709426 170171869 /nfs/dbraw/zinc/17/18/69/170171869.db2.gz MTZYOEJDVWYGKS-LLVKDONJSA-N 1 0 219.332 2.498 10 0 BEAERO CCNc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000061714373 170177094 /nfs/dbraw/zinc/17/70/94/170177094.db2.gz RUZPPAXDMDPJPY-UHFFFAOYSA-N 1 0 225.361 2.341 10 0 BEAERO CCOC(=O)CC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000363926418 170207508 /nfs/dbraw/zinc/20/75/08/170207508.db2.gz WEDOQKLVMQSSAW-RYUDHWBXSA-N 1 0 225.332 2.204 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC000083371215 170208784 /nfs/dbraw/zinc/20/87/84/170208784.db2.gz KFFAQQHJKXQYQP-UHFFFAOYSA-N 1 0 243.253 2.008 10 0 BEAERO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034463617 170231946 /nfs/dbraw/zinc/23/19/46/170231946.db2.gz ULRZIHFFTUGEJT-AWEZNQCLSA-N 1 0 247.338 2.462 10 0 BEAERO CCOC(=O)C[C@H]1[NH2+]CCc2ccc(C)cc21 ZINC000049453867 170234540 /nfs/dbraw/zinc/23/45/40/170234540.db2.gz BWTFLVSPENULBC-CYBMUJFWSA-N 1 0 233.311 2.135 10 0 BEAERO CCOC(=O)N[C@H](C[NH3+])c1ccc(C)cc1C ZINC000019421457 170242939 /nfs/dbraw/zinc/24/29/39/170242939.db2.gz WKCSAYSVBQZJAR-GFCCVEGCSA-N 1 0 236.315 2.049 10 0 BEAERO CCOC(=O)[C@@]1(c2ccccc2)CCC[N@H+](C)C1 ZINC000005857817 170263106 /nfs/dbraw/zinc/26/31/06/170263106.db2.gz KYWYUHIJUSFICD-HNNXBMFYSA-N 1 0 247.338 2.213 10 0 BEAERO CC(C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660370281 411573277 /nfs/dbraw/zinc/57/32/77/411573277.db2.gz HKOBYQXDPLUGMP-JHJVBQTASA-N 1 0 211.349 2.268 10 0 BEAERO CCOCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC ZINC000083370827 170375122 /nfs/dbraw/zinc/37/51/22/170375122.db2.gz YXFLQDRAPSEXOJ-UONOGXRCSA-N 1 0 242.407 2.121 10 0 BEAERO CCOCCC[NH2+]CCN(C)c1ccccc1 ZINC000053343549 170380425 /nfs/dbraw/zinc/38/04/25/170380425.db2.gz IZJFXXVENZTGDZ-UHFFFAOYSA-N 1 0 236.359 2.139 10 0 BEAERO CCOCCC[NH2+]C[C@H](C)n1cnc(C)c1C ZINC000053535628 170380648 /nfs/dbraw/zinc/38/06/48/170380648.db2.gz KBSVVLNCVMWQKL-NSHDSACASA-N 1 0 239.363 2.077 10 0 BEAERO CCOCCC[NH2+]CCN(CC)C1CCCC1 ZINC000053382036 170380902 /nfs/dbraw/zinc/38/09/02/170380902.db2.gz MGKQQJPKGQSRAH-UHFFFAOYSA-N 1 0 242.407 2.267 10 0 BEAERO CCOCCCn1c(N)[nH+]c2ccc(F)cc21 ZINC000052122809 170385792 /nfs/dbraw/zinc/38/57/92/170385792.db2.gz XWBRUYTWOWYYNN-UHFFFAOYSA-N 1 0 237.278 2.184 10 0 BEAERO CCCc1nccnc1NC1CC[NH+](CC)CC1 ZINC000663354018 411635918 /nfs/dbraw/zinc/63/59/18/411635918.db2.gz IQXIJTGOGKBQJH-UHFFFAOYSA-N 1 0 248.374 2.325 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]C1CC(CO)C1 ZINC000657810541 411600081 /nfs/dbraw/zinc/60/00/81/411600081.db2.gz GNHHZNBAKDWIHS-IGJPJIBNSA-N 1 0 211.349 2.173 10 0 BEAERO C[C@H]1CCCC[C@@H]1C[NH2+]C1CC(CO)C1 ZINC000657810540 411600284 /nfs/dbraw/zinc/60/02/84/411600284.db2.gz GNHHZNBAKDWIHS-GMKTYKIGSA-N 1 0 211.349 2.173 10 0 BEAERO OCC1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000657808315 411600803 /nfs/dbraw/zinc/60/08/03/411600803.db2.gz DXBNJXHFZQPQKA-UHFFFAOYSA-N 1 0 225.719 2.201 10 0 BEAERO OCC1CC([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000657808540 411600967 /nfs/dbraw/zinc/60/09/67/411600967.db2.gz KLZXVJWSUOQCPJ-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC(CO)C1 ZINC000657810345 411602313 /nfs/dbraw/zinc/60/23/13/411602313.db2.gz BJVOHHJEQFWVQP-YYJSSNLHSA-N 1 0 211.349 2.172 10 0 BEAERO OCC1CC([NH2+]Cc2ccnc3ccccc23)C1 ZINC000657813449 411603706 /nfs/dbraw/zinc/60/37/06/411603706.db2.gz YTGITULGKQGENJ-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657844532 411610712 /nfs/dbraw/zinc/61/07/12/411610712.db2.gz HSGLDUROXONJJR-GRYCIOLGSA-N 1 0 229.389 2.165 10 0 BEAERO CCCc1nccnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000663450371 411659389 /nfs/dbraw/zinc/65/93/89/411659389.db2.gz YBJQVKSCHJVPSO-NSHDSACASA-N 1 0 246.358 2.078 10 0 BEAERO CCOc1cc(CC[NH3+])ccc1OCC1CC1 ZINC000037721175 170521549 /nfs/dbraw/zinc/52/15/49/170521549.db2.gz XCOPGXIQVQUKMG-UHFFFAOYSA-N 1 0 235.327 2.375 10 0 BEAERO CCOc1cc(F)ccc1NC1CC[NH2+]CC1 ZINC000038041256 170523867 /nfs/dbraw/zinc/52/38/67/170523867.db2.gz KZUFDCUSMZIUBX-UHFFFAOYSA-N 1 0 238.306 2.388 10 0 BEAERO CCOc1ccc(C(=O)CCC[NH3+])cc1 ZINC000074367632 170535818 /nfs/dbraw/zinc/53/58/18/170535818.db2.gz MKIMBGPFKBOTMX-UHFFFAOYSA-N 1 0 207.273 2.007 10 0 BEAERO C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000071400437 411676315 /nfs/dbraw/zinc/67/63/15/411676315.db2.gz XEQVTJYALJOVNR-FZMZJTMJSA-N 1 0 246.354 2.381 10 0 BEAERO CCOc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000375805893 170545752 /nfs/dbraw/zinc/54/57/52/170545752.db2.gz NVAVKNNKQVCKJF-QKDCVEJESA-N 1 0 247.338 2.067 10 0 BEAERO CCC(C)(C)[C@@H](C)[NH2+]Cc1nnnn1C(C)C ZINC000661233069 411736994 /nfs/dbraw/zinc/73/69/94/411736994.db2.gz UQUXRFDBJMJTBY-SNVBAGLBSA-N 1 0 239.367 2.168 10 0 BEAERO CCOc1ccccc1C[C@@H]1CC[NH2+]C1 ZINC000070627808 170594067 /nfs/dbraw/zinc/59/40/67/170594067.db2.gz MPDNWMPWCHHNCR-NSHDSACASA-N 1 0 205.301 2.237 10 0 BEAERO Cc1cccc(NC(=O)[C@]2(C)CCCC[NH2+]2)c1O ZINC000133552799 411815773 /nfs/dbraw/zinc/81/57/73/411815773.db2.gz KZFLNSOKKHKDNZ-AWEZNQCLSA-N 1 0 248.326 2.171 10 0 BEAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])c1ccccc1 ZINC000076616391 170745156 /nfs/dbraw/zinc/74/51/56/170745156.db2.gz UDVNAHMAKAEISW-YPMHNXCESA-N 1 0 234.343 2.034 10 0 BEAERO CC[C@@H](C)[NH2+]CCN(CC)Cc1ccncc1 ZINC000042516920 170751262 /nfs/dbraw/zinc/75/12/62/170751262.db2.gz SYEMEXBNVALATH-CYBMUJFWSA-N 1 0 235.375 2.292 10 0 BEAERO CC[C@@H](C)[NH2+]Cc1sc(OC)nc1C ZINC000045205489 170755527 /nfs/dbraw/zinc/75/55/27/170755527.db2.gz TZMNXGZREDIGTI-SSDOTTSWSA-N 1 0 214.334 2.348 10 0 BEAERO CCCc1nccnc1NCC[C@H](C)[NH+](C)C ZINC000664241432 411894797 /nfs/dbraw/zinc/89/47/97/411894797.db2.gz DUDJBJBUYBXGNV-NSHDSACASA-N 1 0 236.363 2.181 10 0 BEAERO CC[C@@H](C)[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000042558767 170788592 /nfs/dbraw/zinc/78/85/92/170788592.db2.gz OTBVIPGNJGXBON-QKEWWQLBSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000042556515 170792477 /nfs/dbraw/zinc/79/24/77/170792477.db2.gz QBLZCULQBJAGFH-WOPDTQHZSA-N 1 0 240.391 2.458 10 0 BEAERO CC[C@@H](C[NH3+])NC(=O)c1c(C)cc(C)cc1C ZINC000104325710 170821901 /nfs/dbraw/zinc/82/19/01/170821901.db2.gz KKGUWEQCWHJNGK-LBPRGKRZSA-N 1 0 234.343 2.079 10 0 BEAERO CC[C@@H]([NH3+])Cc1cccc(OC[C@H]2CCOC2)c1 ZINC000049689939 170866328 /nfs/dbraw/zinc/86/63/28/170866328.db2.gz OMHIHTRFQLOGJS-UONOGXRCSA-N 1 0 249.354 2.382 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C1(CC(C)C)CC1 ZINC000662066458 411970295 /nfs/dbraw/zinc/97/02/95/411970295.db2.gz MDWOJCCZCKFXRS-CYBMUJFWSA-N 1 0 243.391 2.332 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccccc1Br ZINC000036779357 170867495 /nfs/dbraw/zinc/86/74/95/170867495.db2.gz GMEAVCSSYXSQLK-NXEZZACHSA-N 1 0 244.132 2.220 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](n1nc(C)nc1C)C(C)(C)C ZINC000043295067 170868430 /nfs/dbraw/zinc/86/84/30/170868430.db2.gz QDGSJWKLZGPBSW-GHMZBOCLSA-N 1 0 224.352 2.219 10 0 BEAERO CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C(C)(C)C ZINC000336759859 170900322 /nfs/dbraw/zinc/90/03/22/170900322.db2.gz LEAGGLNJPPQCJC-SFYZADRCSA-N 1 0 227.270 2.324 10 0 BEAERO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]1CN ZINC000662246339 412042971 /nfs/dbraw/zinc/04/29/71/412042971.db2.gz SNBQWSCNHOJCEY-ZJUUUORDSA-N 1 0 220.307 2.091 10 0 BEAERO CC[C@@H]1CCN(Cc2ccc(C)o2)CC[NH2+]1 ZINC000053041931 171011074 /nfs/dbraw/zinc/01/10/74/171011074.db2.gz JNHKJDNYSLGOMV-GFCCVEGCSA-N 1 0 222.332 2.162 10 0 BEAERO CC[C@@H]1CCN(Cc2ccccn2)C[C@H](C)C[NH2+]1 ZINC000049666514 171012564 /nfs/dbraw/zinc/01/25/64/171012564.db2.gz CYDIQGXCKJLDPA-ZIAGYGMSSA-N 1 0 247.386 2.292 10 0 BEAERO CC[C@@H]1CCN(CCOC2CCCC2)CC[NH2+]1 ZINC000104436856 171012916 /nfs/dbraw/zinc/01/29/16/171012916.db2.gz WGTDQXYAXVSMPE-CYBMUJFWSA-N 1 0 240.391 2.020 10 0 BEAERO CC[C@@H]1CCN(c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000049662066 171014017 /nfs/dbraw/zinc/01/40/17/171014017.db2.gz FHWBVMNWXSSSSP-CYBMUJFWSA-N 1 0 247.386 2.331 10 0 BEAERO CC[C@@H]1CCc2nc(CC[NH2+]C)sc2C1 ZINC000053296454 171061033 /nfs/dbraw/zinc/06/10/33/171061033.db2.gz UIUDGPQDGRNMOI-SECBINFHSA-N 1 0 224.373 2.420 10 0 BEAERO CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC000095752881 171066457 /nfs/dbraw/zinc/06/64/57/171066457.db2.gz XZTTYDZWKRHNEG-GHMZBOCLSA-N 1 0 242.363 2.384 10 0 BEAERO CC[C@@H]1C[N@H+](C2CCCC2)[C@H](CC)CN1 ZINC000083088553 171076447 /nfs/dbraw/zinc/07/64/47/171076447.db2.gz NVBRTHDPNSCUAZ-VXGBXAGGSA-N 1 0 210.365 2.391 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(OC)cc2)[C@H](C)C[NH2+]1 ZINC000071343483 171089135 /nfs/dbraw/zinc/08/91/35/171089135.db2.gz UHWBGDZYGWNZAU-TZMCWYRMSA-N 1 0 248.370 2.268 10 0 BEAERO CC[C@@H]1CN([C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000036769362 171093939 /nfs/dbraw/zinc/09/39/39/171093939.db2.gz LQUWADOYYBEDGU-KGLIPLIRSA-N 1 0 240.391 2.005 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(F)(F)F ZINC000246433801 171098887 /nfs/dbraw/zinc/09/88/87/171098887.db2.gz HDMQXWFULGEORO-ZJUUUORDSA-N 1 0 236.281 2.107 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccco1 ZINC000246550267 171099039 /nfs/dbraw/zinc/09/90/39/171099039.db2.gz QYIXVJKHHWRSNC-OLZOCXBDSA-N 1 0 234.343 2.338 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccn1 ZINC000093436710 171099886 /nfs/dbraw/zinc/09/98/86/171099886.db2.gz PEPKJHHQXNRXKE-HUUCEWRRSA-N 1 0 245.370 2.140 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccnc1 ZINC000094448464 171100571 /nfs/dbraw/zinc/10/05/71/171100571.db2.gz CCDMBPWRAJRPRC-HUUCEWRRSA-N 1 0 245.370 2.140 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccc1OC ZINC000083379405 171101231 /nfs/dbraw/zinc/10/12/31/171101231.db2.gz ONWRZZFRSJYNCX-GXTWGEPZSA-N 1 0 248.370 2.268 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1cccnc1 ZINC000068695388 171101354 /nfs/dbraw/zinc/10/13/54/171101354.db2.gz LIOYAFYFFBNKNS-CABCVRRESA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccccc1F ZINC000083363978 171102368 /nfs/dbraw/zinc/10/23/68/171102368.db2.gz ZIHXAADVTDLSJB-DGCLKSJQSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccc(F)cc1 ZINC000068697266 171102557 /nfs/dbraw/zinc/10/25/57/171102557.db2.gz ZQYONWITJPXRJQ-BXUZGUMPSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1(CO)CCCC1 ZINC000051295471 171110131 /nfs/dbraw/zinc/11/01/31/171110131.db2.gz WCVPMVOIUMMGLV-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@@H]1CO[C@@H](c2nc3ccccc3n2C)C[NH2+]1 ZINC000036672786 171110578 /nfs/dbraw/zinc/11/05/78/171110578.db2.gz HIRCSYMWWBMASB-ZWNOBZJWSA-N 1 0 245.326 2.013 10 0 BEAERO CC[C@@H]1Cc2c(ccc(OC)c2OC)C[NH2+]1 ZINC000052095319 171143171 /nfs/dbraw/zinc/14/31/71/171143171.db2.gz QPNLHWDFEVLRPY-SNVBAGLBSA-N 1 0 221.300 2.128 10 0 BEAERO CC[C@@H]1Cc2c(OC)ccc(OC)c2C[NH2+]1 ZINC000052095295 171143316 /nfs/dbraw/zinc/14/33/16/171143316.db2.gz DCYZYUWMVHYESW-SECBINFHSA-N 1 0 221.300 2.128 10 0 BEAERO CC[C@@H]1[C@H](CC)[NH2+]CCN1C(=O)OC(C)(C)C ZINC000095752824 171145992 /nfs/dbraw/zinc/14/59/92/171145992.db2.gz LWQBEZTZVBCXBH-WDEREUQCSA-N 1 0 242.363 2.384 10 0 BEAERO CC[C@@H]1[NH2+]CCc2cc(OC)cc(OC)c21 ZINC000052095452 171150045 /nfs/dbraw/zinc/15/00/45/171150045.db2.gz RZRLAWOWVDYSIY-NSHDSACASA-N 1 0 221.300 2.301 10 0 BEAERO CC[C@@](C)([NH3+])c1ccc(OC)c(OC)c1 ZINC000055196875 171171438 /nfs/dbraw/zinc/17/14/38/171171438.db2.gz MIZTVSUULTVQAH-GFCCVEGCSA-N 1 0 209.289 2.288 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccccc1 ZINC000119394425 171177485 /nfs/dbraw/zinc/17/74/85/171177485.db2.gz QOIKLZDMBPAHMH-CYBMUJFWSA-N 1 0 207.317 2.279 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCc2ccccc2C1 ZINC000119400554 171180882 /nfs/dbraw/zinc/18/08/82/171180882.db2.gz OUIZDHCINNRGJC-CQSZACIVSA-N 1 0 219.328 2.206 10 0 BEAERO CC[C@@]([NH3+])(c1noc(C2CC2)n1)C(C)C ZINC000037755137 171192820 /nfs/dbraw/zinc/19/28/20/171192820.db2.gz IZSPFEKCIWTFLR-NSHDSACASA-N 1 0 209.293 2.167 10 0 BEAERO CC[C@@](O)(C[NH2+]C1CC1)c1ccc(OC)c(C)c1 ZINC000032104732 171195252 /nfs/dbraw/zinc/19/52/52/171195252.db2.gz VJSRNGWGNIYODN-OAHLLOKOSA-N 1 0 249.354 2.353 10 0 BEAERO CC[C@@]1(c2ccc(Cl)cc2)C[C@@]1(C[NH3+])CO ZINC000062670227 171216549 /nfs/dbraw/zinc/21/65/49/171216549.db2.gz LAMZEGQPPYJCLK-OLZOCXBDSA-N 1 0 239.746 2.329 10 0 BEAERO CC[C@@]1(c2nc3ccccc3n2C)CC[NH2+]C1 ZINC000062914807 171217898 /nfs/dbraw/zinc/21/78/98/171217898.db2.gz RUHVJBTWTCGKKR-CQSZACIVSA-N 1 0 229.327 2.214 10 0 BEAERO CC[C@H](C(=O)N(C)C[C@H](C)C[NH3+])c1ccccc1 ZINC000042455056 171221786 /nfs/dbraw/zinc/22/17/86/171221786.db2.gz PQABOVSKNJMIBR-OCCSQVGLSA-N 1 0 248.370 2.233 10 0 BEAERO CC[C@H](C)C(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950082 171247042 /nfs/dbraw/zinc/24/70/42/171247042.db2.gz ZONJAABARSWGPE-JTQLQIEISA-N 1 0 220.316 2.154 10 0 BEAERO CC[C@H](C)CN(C)[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053490592 171275100 /nfs/dbraw/zinc/27/51/00/171275100.db2.gz BKGYRIWGTLXSKQ-IHRRRGAJSA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@H](C)C[N@H+](C)C[C@H](O)c1ccc(N)cc1 ZINC000051324053 171275376 /nfs/dbraw/zinc/27/53/76/171275376.db2.gz RPRGDTFDPDJYCQ-FZMZJTMJSA-N 1 0 236.359 2.280 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000309611184 171285187 /nfs/dbraw/zinc/28/51/87/171285187.db2.gz AGLSQLBWXGSCFB-NWDGAFQWSA-N 1 0 221.348 2.081 10 0 BEAERO CC[C@H](C)C[C@](CC)([NH2+]CC1CC1)C(N)=O ZINC000037947028 171299137 /nfs/dbraw/zinc/29/91/37/171299137.db2.gz QMTXEPRUYJHGLX-GWCFXTLKSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@H](C)C[C@](CC)(C[NH3+])N1CCO[C@H](C)C1 ZINC000034689296 171299582 /nfs/dbraw/zinc/29/95/82/171299582.db2.gz LSGKDXYNRSPVHQ-BFHYXJOUSA-N 1 0 242.407 2.251 10 0 BEAERO CC[C@H](C)N(C)C(=O)C1CCC(C[NH3+])CC1 ZINC000055146624 171302153 /nfs/dbraw/zinc/30/21/53/171302153.db2.gz QWBWRHOKPFRMTJ-UNXYVOJBSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H](C)[N@@H+]1C[C@@H](CC)NC[C@H]1C(C)C ZINC000083088269 171319781 /nfs/dbraw/zinc/31/97/81/171319781.db2.gz WNTLBENZQXKIOD-XQQFMLRXSA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339515306 171334353 /nfs/dbraw/zinc/33/43/53/171334353.db2.gz KLEGBFHLULVPLV-QWRGUYRKSA-N 1 0 226.364 2.068 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1cccs1 ZINC000076622272 171335527 /nfs/dbraw/zinc/33/55/27/171335527.db2.gz NPNCUPPQJDNTAK-VHSXEESVSA-N 1 0 240.372 2.095 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1CC ZINC000037617554 171339574 /nfs/dbraw/zinc/33/95/74/171339574.db2.gz AKRNNYQGDXQQQG-AVGNSLFASA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819599 171339639 /nfs/dbraw/zinc/33/96/39/171339639.db2.gz KACHSGYQILSSMV-AAEUAGOBSA-N 1 0 249.358 2.066 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](C)N1C[C@H](C)OC(C)(C)C1 ZINC000053496651 171342098 /nfs/dbraw/zinc/34/20/98/171342098.db2.gz MROVTBQIRJLJCG-AVGNSLFASA-N 1 0 242.407 2.262 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](O)c1cc(F)ccc1OC ZINC000049830556 171342203 /nfs/dbraw/zinc/34/22/03/171342203.db2.gz ZMIGNYZNHCYLPH-CABZTGNLSA-N 1 0 241.306 2.256 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](O)c1ccc(OC)c(C)c1 ZINC000049828890 171342336 /nfs/dbraw/zinc/34/23/36/171342336.db2.gz JMLIZXKEPXBWKC-AAEUAGOBSA-N 1 0 237.343 2.425 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C)c(C)c1 ZINC000038065111 171345243 /nfs/dbraw/zinc/34/52/43/171345243.db2.gz HFJPLJPQDRAFQV-WCQYABFASA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(F)c(C)c1 ZINC000050559007 171345453 /nfs/dbraw/zinc/34/54/53/171345453.db2.gz RXPDBBHYCCUEIB-JOYOIKCWSA-N 1 0 238.306 2.049 10 0 BEAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000038064821 171347507 /nfs/dbraw/zinc/34/75/07/171347507.db2.gz WVHCMCITTDEJRQ-SUNKGSAMSA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@H](C)Oc1cccc(NC(=O)CC[NH3+])c1 ZINC000051780228 171355952 /nfs/dbraw/zinc/35/59/52/171355952.db2.gz BFVDLXVWDNZDCY-JTQLQIEISA-N 1 0 236.315 2.151 10 0 BEAERO CC[C@H](C)Oc1cc2c(cc1CC[NH3+])OCO2 ZINC000042877636 171356328 /nfs/dbraw/zinc/35/63/28/171356328.db2.gz DRALVKLXSSCBOJ-VIFPVBQESA-N 1 0 237.299 2.094 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969666 171372585 /nfs/dbraw/zinc/37/25/85/171372585.db2.gz QKAXLXMJWQAAAO-ISVAXAHUSA-N 1 0 218.300 2.227 10 0 BEAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CC(=O)N2 ZINC000035495777 171373563 /nfs/dbraw/zinc/37/35/63/171373563.db2.gz IZAPCUJAHLMFJR-LKFCYVNXSA-N 1 0 232.327 2.488 10 0 BEAERO CC[C@H](C)[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000107090555 171382199 /nfs/dbraw/zinc/38/21/99/171382199.db2.gz CEOFDGBRMUSCDU-QWRGUYRKSA-N 1 0 242.363 2.241 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000042555606 171389298 /nfs/dbraw/zinc/38/92/98/171389298.db2.gz OISCTPXAGVSCBC-SRVKXCTJSA-N 1 0 231.380 2.187 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336735722 171391252 /nfs/dbraw/zinc/39/12/52/171391252.db2.gz LXVDDKXKSDFOGC-DCAQKATOSA-N 1 0 226.364 2.068 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000040490630 171392798 /nfs/dbraw/zinc/39/27/98/171392798.db2.gz JMAZYJQNTUHYKK-CYDGBPFRSA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037017807 171395496 /nfs/dbraw/zinc/39/54/96/171395496.db2.gz UYSUOJLEXCPYQR-PEXQALLHSA-N 1 0 238.331 2.139 10 0 BEAERO CC[C@H](C[NH3+])CCC(=O)Nc1ccccc1 ZINC000076610327 171429845 /nfs/dbraw/zinc/42/98/45/171429845.db2.gz GPGAMECHFMKRFF-NSHDSACASA-N 1 0 220.316 2.390 10 0 BEAERO CC[C@H](C[NH3+])CC(=O)N[C@H](C)c1ccccc1 ZINC000076616633 171430489 /nfs/dbraw/zinc/43/04/89/171430489.db2.gz HCUADNNPURSXMX-NEPJUHHUSA-N 1 0 234.343 2.239 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000134177401 412113562 /nfs/dbraw/zinc/11/35/62/412113562.db2.gz HEUJRHWINFYUQD-GRYCIOLGSA-N 1 0 226.364 2.149 10 0 BEAERO CC[C@@H](NC(=O)[C@@H](CC)[NH2+]C)c1ccccc1 ZINC000662378188 412131528 /nfs/dbraw/zinc/13/15/28/412131528.db2.gz DONOCRMJCRHHIY-CHWSQXEVSA-N 1 0 234.343 2.252 10 0 BEAERO C[C@H]1CC(C[NH2+][C@@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000665239791 412179905 /nfs/dbraw/zinc/17/99/05/412179905.db2.gz ZGCXYWOZSVRBJP-NQBHXWOUSA-N 1 0 210.365 2.010 10 0 BEAERO CC[C@H]([NH3+])c1cccc(Br)n1 ZINC000095685638 171490890 /nfs/dbraw/zinc/49/08/90/171490890.db2.gz YIGYLEOPRNZMCB-LURJTMIESA-N 1 0 215.094 2.254 10 0 BEAERO CC[C@H]([NH2+]C[C@@H](C)CCO)C(C)(C)C ZINC000308626032 171523912 /nfs/dbraw/zinc/52/39/12/171523912.db2.gz WIGFHUHNBNHYGK-QWRGUYRKSA-N 1 0 201.354 2.419 10 0 BEAERO CC[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(O)cc1 ZINC000037738063 171528650 /nfs/dbraw/zinc/52/86/50/171528650.db2.gz ISLVJFZOJCQSBK-RISCZKNCSA-N 1 0 235.327 2.469 10 0 BEAERO CC[C@@H]1CN[C@@H](CC)C[N@@H+]1C1CCCC1 ZINC000083088556 171654401 /nfs/dbraw/zinc/65/44/01/171654401.db2.gz NVBRTHDPNSCUAZ-NWDGAFQWSA-N 1 0 210.365 2.391 10 0 BEAERO CC[C@]([NH3+])(c1ccccc1)c1cncnc1 ZINC000052887701 171709104 /nfs/dbraw/zinc/70/91/04/171709104.db2.gz AJMLQRHQXBCRQI-ZDUSSCGKSA-N 1 0 213.284 2.089 10 0 BEAERO CCc1cc(COC[C@H](C)[NH3+])ccc1OC ZINC000098124817 171759127 /nfs/dbraw/zinc/75/91/27/171759127.db2.gz VWSIKPLMMZHCJN-JTQLQIEISA-N 1 0 223.316 2.121 10 0 BEAERO CCc1cc([C@@H](C)OCC[NH3+])ccc1OC ZINC000071531128 171773480 /nfs/dbraw/zinc/77/34/80/171773480.db2.gz ZKHDHZACZALJCO-SNVBAGLBSA-N 1 0 223.316 2.294 10 0 BEAERO CCc1cc2c(ncnc2NCCC[NH3+])s1 ZINC000020321845 171775347 /nfs/dbraw/zinc/77/53/47/171775347.db2.gz GFXUMMJGAQMNTN-UHFFFAOYSA-N 1 0 236.344 2.014 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1nccnc1CCC ZINC000663271433 412403850 /nfs/dbraw/zinc/40/38/50/412403850.db2.gz AGMSFYIBMKIMFJ-NSHDSACASA-N 1 0 236.363 2.359 10 0 BEAERO CC(C)c1nsc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663276372 412406295 /nfs/dbraw/zinc/40/62/95/412406295.db2.gz UQCWJCPBBGZUMH-SECBINFHSA-N 1 0 242.392 2.447 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1ncnc2ccccc21 ZINC000663276495 412406307 /nfs/dbraw/zinc/40/63/07/412406307.db2.gz ZXBYEHWFZGFXSU-GFCCVEGCSA-N 1 0 244.342 2.415 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000663280106 412408601 /nfs/dbraw/zinc/40/86/01/412408601.db2.gz XWGBNZZVMXLXMM-SSDOTTSWSA-N 1 0 233.237 2.120 10 0 BEAERO CCc1ccc(C[C@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000041261338 171814735 /nfs/dbraw/zinc/81/47/35/171814735.db2.gz SVOORRFUZWTWCL-CABCVRRESA-N 1 0 233.355 2.152 10 0 BEAERO CCc1ccc(OC)c(COC[C@H](C)[NH3+])c1 ZINC000098124823 171824969 /nfs/dbraw/zinc/82/49/69/171824969.db2.gz FBLKBLKAYCTVPN-JTQLQIEISA-N 1 0 223.316 2.121 10 0 BEAERO CCc1ccc([C@@H]([NH3+])[C@H](C)n2cncn2)cc1 ZINC000037223904 171834408 /nfs/dbraw/zinc/83/44/08/171834408.db2.gz WGLVHFFOVYUFGE-GWCFXTLKSA-N 1 0 230.315 2.102 10 0 BEAERO CCc1ccc([C@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000032013455 171844728 /nfs/dbraw/zinc/84/47/28/171844728.db2.gz ZUWWEGRAUJWGCK-KBPBESRZSA-N 1 0 219.328 2.282 10 0 BEAERO CCc1ccc2[nH]c(CC[NH2+]C3CC3)nc2c1 ZINC000074326247 171850643 /nfs/dbraw/zinc/85/06/43/171850643.db2.gz OMXOXIXGJLEWBR-UHFFFAOYSA-N 1 0 229.327 2.420 10 0 BEAERO CCc1cccc2c([C@H]([NH3+])[C@H](C)O)c[nH]c21 ZINC000089204042 171868620 /nfs/dbraw/zinc/86/86/20/171868620.db2.gz HZNUOGINJUNPDU-QPUJVOFHSA-N 1 0 218.300 2.111 10 0 BEAERO CCc1ccccc1N1CC[NH2+][C@H](C)CC1 ZINC000049661395 171884673 /nfs/dbraw/zinc/88/46/73/171884673.db2.gz JSUOGZKZKMWNJH-GFCCVEGCSA-N 1 0 218.344 2.437 10 0 BEAERO CCc1csc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000335658608 171933183 /nfs/dbraw/zinc/93/31/83/171933183.db2.gz VFOMACIVDQIIDY-WCBMZHEXSA-N 1 0 225.361 2.115 10 0 BEAERO CCc1nc(N2CC[C@H](C)C2)sc1C[NH2+]C ZINC000054998449 171997096 /nfs/dbraw/zinc/99/70/96/171997096.db2.gz SLNPKNWFCRBYEV-VIFPVBQESA-N 1 0 239.388 2.271 10 0 BEAERO CCc1nc([C@H]([NH3+])C2CCCCC2)no1 ZINC000036762709 172007048 /nfs/dbraw/zinc/00/70/48/172007048.db2.gz MYTNFLDWINOMGH-SNVBAGLBSA-N 1 0 209.293 2.212 10 0 BEAERO CCc1nc([C@H]([NH2+]C)[C@H]2CCOC2)sc1C ZINC000041060665 172007380 /nfs/dbraw/zinc/00/73/80/172007380.db2.gz UTAQTWBNQJUQTL-GXSJLCMTSA-N 1 0 240.372 2.311 10 0 BEAERO CCc1nc2cc(C[NH3+])ccc2n1CC ZINC000062213980 172011107 /nfs/dbraw/zinc/01/11/07/172011107.db2.gz LQPUPWLXDYTHLD-UHFFFAOYSA-N 1 0 203.289 2.077 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)CC ZINC000122880710 172013982 /nfs/dbraw/zinc/01/39/82/172013982.db2.gz NNYSYVRAYYCBMC-NXEZZACHSA-N 1 0 222.336 2.064 10 0 BEAERO CCc1ncc2c(n1)CC(C)(C)C[C@H]2[NH2+]C ZINC000050101091 172024297 /nfs/dbraw/zinc/02/42/97/172024297.db2.gz FGQYMUYFWQCFEI-SNVBAGLBSA-N 1 0 219.332 2.272 10 0 BEAERO CCc1nccn1C[C@H]([NH3+])c1ccccc1 ZINC000042419741 172026089 /nfs/dbraw/zinc/02/60/89/172026089.db2.gz FXBVTRZAUBZWNE-LBPRGKRZSA-N 1 0 215.300 2.146 10 0 BEAERO CCc1nccn1[C@H](CC[NH3+])c1ccccc1 ZINC000055018269 172028805 /nfs/dbraw/zinc/02/88/05/172028805.db2.gz FCRXEAJVZOOCKA-CYBMUJFWSA-N 1 0 229.327 2.384 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906815 172028862 /nfs/dbraw/zinc/02/88/62/172028862.db2.gz WVGBPOIEURIYDL-ZDUSSCGKSA-N 1 0 229.327 2.302 10 0 BEAERO CCc1nccn1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000042419622 172029005 /nfs/dbraw/zinc/02/90/05/172029005.db2.gz JVWZJRRXJXKBCM-WDEREUQCSA-N 1 0 207.321 2.136 10 0 BEAERO CCc1[nH+]cn(Cc2ccccc2)c1N ZINC000105016929 172029354 /nfs/dbraw/zinc/02/93/54/172029354.db2.gz YPHVRMYYIZYCHW-UHFFFAOYSA-N 1 0 201.273 2.076 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000043029004 172029504 /nfs/dbraw/zinc/02/95/04/172029504.db2.gz ZSHDDEZHCZTNSL-ZDUSSCGKSA-N 1 0 245.326 2.002 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000042962434 172029548 /nfs/dbraw/zinc/02/95/48/172029548.db2.gz JGXHCJOBIRTSQZ-ZDUSSCGKSA-N 1 0 245.326 2.002 10 0 BEAERO CCc1nccn1[C@@H]1CCC[N@@H+](CC)C1 ZINC000105897401 172029727 /nfs/dbraw/zinc/02/97/27/172029727.db2.gz UFDYFERATYUVDE-LLVKDONJSA-N 1 0 207.321 2.102 10 0 BEAERO CCc1nsc(N[C@@H](C)CCCC[NH3+])n1 ZINC000308810012 172107006 /nfs/dbraw/zinc/10/70/06/172107006.db2.gz CBKZAVIECBCHDW-QMMMGPOBSA-N 1 0 228.365 2.030 10 0 BEAERO CCn1c2cccc(F)c2nc1C[C@H](C)[NH3+] ZINC000037442635 172145350 /nfs/dbraw/zinc/14/53/50/172145350.db2.gz XBPLMZFTWSHGSL-QMMMGPOBSA-N 1 0 221.279 2.085 10 0 BEAERO CCn1cc(-c2ccc(C[NH3+])c(F)c2)cn1 ZINC000043462666 172149728 /nfs/dbraw/zinc/14/97/28/172149728.db2.gz LAUGIFNROYYPGA-UHFFFAOYSA-N 1 0 219.263 2.168 10 0 BEAERO CCn1cc(C2([NH3+])CCC(C)CC2)cn1 ZINC000043467661 172158939 /nfs/dbraw/zinc/15/89/39/172158939.db2.gz CYHOAALLRMWEKU-UHFFFAOYSA-N 1 0 207.321 2.267 10 0 BEAERO CCn1cc(C[C@@]2([NH3+])CCCC[C@@H]2C)cn1 ZINC000050541617 172176718 /nfs/dbraw/zinc/17/67/18/172176718.db2.gz WFLLXEAOSKCKTL-AAEUAGOBSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000050540852 172176907 /nfs/dbraw/zinc/17/69/07/172176907.db2.gz GJRRSZAUBSKVRA-STQMWFEESA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc([C@@H]([NH3+])Cc2cccs2)cn1 ZINC000052900431 172193878 /nfs/dbraw/zinc/19/38/78/172193878.db2.gz BVPIOOGRRXCOBC-NSHDSACASA-N 1 0 221.329 2.207 10 0 BEAERO CCn1cccc1C(=O)Nc1cccc(C[NH3+])c1 ZINC000063190868 172202983 /nfs/dbraw/zinc/20/29/83/172202983.db2.gz WTCRPWMSBLQKJD-UHFFFAOYSA-N 1 0 243.310 2.219 10 0 BEAERO CCn1cccc1CNCCC[NH+]1CCCCC1 ZINC000091022876 172207289 /nfs/dbraw/zinc/20/72/89/172207289.db2.gz HUCZLAMRJYRERL-UHFFFAOYSA-N 1 0 249.402 2.474 10 0 BEAERO CCn1cccc1C[NH2+]Cc1cccc(CO)c1 ZINC000227457479 172208151 /nfs/dbraw/zinc/20/81/51/172208151.db2.gz KKLMSGGFBFBKJH-UHFFFAOYSA-N 1 0 244.338 2.290 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000234192905 172208797 /nfs/dbraw/zinc/20/87/97/172208797.db2.gz OANXCXCYHHZDRG-VXGBXAGGSA-N 1 0 222.332 2.165 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000158505367 172209500 /nfs/dbraw/zinc/20/95/00/172209500.db2.gz UPKQVHGJUHCALO-RYUDHWBXSA-N 1 0 222.332 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000091025320 172209705 /nfs/dbraw/zinc/20/97/05/172209705.db2.gz JMWPQSUHUUQRMN-NSHDSACASA-N 1 0 246.358 2.401 10 0 BEAERO CCn1cc[nH+]c1Nc1cccc(N)c1 ZINC000050608108 172227065 /nfs/dbraw/zinc/22/70/65/172227065.db2.gz LNJSJMWYONMIJI-UHFFFAOYSA-N 1 0 202.261 2.229 10 0 BEAERO CCn1ccnc1[C@@H]([NH2+]C)c1ccccc1 ZINC000041112567 172229396 /nfs/dbraw/zinc/22/93/96/172229396.db2.gz HYGKHWHJRHOTLK-LBPRGKRZSA-N 1 0 215.300 2.212 10 0 BEAERO CCn1cnnc1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000120175654 172239645 /nfs/dbraw/zinc/23/96/45/172239645.db2.gz STYVQAMPMUUPCJ-LBPRGKRZSA-N 1 0 248.374 2.420 10 0 BEAERO CCn1nc(C)c(C[NH2+]C(C)(C)C)c1C ZINC000054717458 172245117 /nfs/dbraw/zinc/24/51/17/172245117.db2.gz YLBPABJIVRPZGS-UHFFFAOYSA-N 1 0 209.337 2.408 10 0 BEAERO CCn1nccc1C[NH2+]CC1(C(C)C)CC1 ZINC000119513913 172269032 /nfs/dbraw/zinc/26/90/32/172269032.db2.gz ROQDMOGZIOYSHI-UHFFFAOYSA-N 1 0 221.348 2.429 10 0 BEAERO C[NH+](C)CCCc1c[nH]c2ccc(O)cc12 ZINC000028357809 172444735 /nfs/dbraw/zinc/44/47/35/172444735.db2.gz PZRSQMNQWPQQLE-UHFFFAOYSA-N 1 0 218.300 2.368 10 0 BEAERO CN([C@@H](C[NH3+])c1ccccc1Cl)C1CC1 ZINC000037080869 172596553 /nfs/dbraw/zinc/59/65/53/172596553.db2.gz NLRQHVNRERIYPI-LBPRGKRZSA-N 1 0 224.735 2.434 10 0 BEAERO CN(CC[NH2+]CC1CCCC1)Cc1ccoc1 ZINC000053438489 172744741 /nfs/dbraw/zinc/74/47/41/172744741.db2.gz XHPHFSUQFWDISE-UHFFFAOYSA-N 1 0 236.359 2.491 10 0 BEAERO CN(CC[NH2+]C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000053692226 172744793 /nfs/dbraw/zinc/74/47/93/172744793.db2.gz XAWFMKHSZPJENE-UHFFFAOYSA-N 1 0 246.358 2.387 10 0 BEAERO CN(C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000019485295 172808438 /nfs/dbraw/zinc/80/84/38/172808438.db2.gz IWLZJGQBGKKYCM-LBPRGKRZSA-N 1 0 204.317 2.265 10 0 BEAERO CN(c1cccc2cnccc21)C1CC[NH2+]CC1 ZINC000090502073 172948402 /nfs/dbraw/zinc/94/84/02/172948402.db2.gz OAUKWCZGWAVHKJ-UHFFFAOYSA-N 1 0 241.338 2.423 10 0 BEAERO CN1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000044562067 173009381 /nfs/dbraw/zinc/00/93/81/173009381.db2.gz RAKFFVFXFBSMFM-AWEZNQCLSA-N 1 0 236.334 2.400 10 0 BEAERO C[N@@H+]1CCCC[C@H]1CNc1cc(Cl)ncn1 ZINC000044565937 173009633 /nfs/dbraw/zinc/00/96/33/173009633.db2.gz WOLZFEHVHCWASU-VIFPVBQESA-N 1 0 240.738 2.026 10 0 BEAERO CN1CCC[N@H+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336278497 173015032 /nfs/dbraw/zinc/01/50/32/173015032.db2.gz XNIFZCLEYZNYMY-NSHDSACASA-N 1 0 232.318 2.059 10 0 BEAERO C[N@@H+]1CCC[C@@H]1CCOc1ccccc1N ZINC000042268144 173026872 /nfs/dbraw/zinc/02/68/72/173026872.db2.gz CIPLSYVYJHVKAY-LLVKDONJSA-N 1 0 220.316 2.132 10 0 BEAERO CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336722948 173035027 /nfs/dbraw/zinc/03/50/27/173035027.db2.gz ALQNFPTUEQUAKQ-YNEHKIRRSA-N 1 0 228.355 2.199 10 0 BEAERO C[N@@H+]1CCC[C@H]1CCOc1ccccc1N ZINC000042268147 173053769 /nfs/dbraw/zinc/05/37/69/173053769.db2.gz CIPLSYVYJHVKAY-NSHDSACASA-N 1 0 220.316 2.132 10 0 BEAERO C[N@@H+]1CCC[C@H]1Cc1cc2cccnc2[nH]1 ZINC000029130092 173060574 /nfs/dbraw/zinc/06/05/74/173060574.db2.gz IUWFNLKNENWKCN-LBPRGKRZSA-N 1 0 215.300 2.200 10 0 BEAERO CN1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000336144924 173085470 /nfs/dbraw/zinc/08/54/70/173085470.db2.gz ZEHQUIVMQDZENI-NSHDSACASA-N 1 0 232.318 2.059 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2cc(F)cc(F)c2)C1 ZINC000061984676 173125816 /nfs/dbraw/zinc/12/58/16/173125816.db2.gz NYQNIQRPGHYALV-SNVBAGLBSA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CC[C@@]2(c3cccc(O)c3)CC(=O)C[C@@H]1C2 ZINC000013738630 173140770 /nfs/dbraw/zinc/14/07/70/173140770.db2.gz CHWUTFJMLXHAEH-DOMZBBRYSA-N 1 0 245.322 2.087 10 0 BEAERO C[N@@H+]1CC[C@H](CNCc2ccccc2Cl)C1 ZINC000037484567 173147862 /nfs/dbraw/zinc/14/78/62/173147862.db2.gz WXWXWTBUNOZDSG-LLVKDONJSA-N 1 0 238.762 2.381 10 0 BEAERO CN1CC[C@H]([NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000042545983 173155138 /nfs/dbraw/zinc/15/51/38/173155138.db2.gz SVZULZVHRHRBEM-GXTWGEPZSA-N 1 0 248.395 2.268 10 0 BEAERO CN1C[C@H](CC[NH3+])c2cc(Cl)ccc21 ZINC000071483987 173193017 /nfs/dbraw/zinc/19/30/17/173193017.db2.gz DGUKDMSAEZWBOY-QMMMGPOBSA-N 1 0 210.708 2.222 10 0 BEAERO CNC(=O)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037224819 173278149 /nfs/dbraw/zinc/27/81/49/173278149.db2.gz LMTBJDYVBCHLLQ-LLVKDONJSA-N 1 0 248.370 2.381 10 0 BEAERO CNC(=O)Oc1cccc([C@H](C)[NH+](C)C)c1 ZINC000000967934 173293512 /nfs/dbraw/zinc/29/35/12/173293512.db2.gz KQOUPMYYRQWZLI-VIFPVBQESA-N 1 0 222.288 2.027 10 0 in-vitro BEAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1sccc1C ZINC000061317103 173317463 /nfs/dbraw/zinc/31/74/63/173317463.db2.gz OALQBLMEDISWEP-UHFFFAOYSA-N 1 0 240.372 2.013 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000061317147 173317533 /nfs/dbraw/zinc/31/75/33/173317533.db2.gz YQACQSUACJCKKD-GHMZBOCLSA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000061318821 173317762 /nfs/dbraw/zinc/31/77/62/173317762.db2.gz OJFBFFOWKULLKA-QWRGUYRKSA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000061317143 173317853 /nfs/dbraw/zinc/31/78/53/173317853.db2.gz YQACQSUACJCKKD-MNOVXSKESA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H](C)c1cccs1 ZINC000061317585 173317989 /nfs/dbraw/zinc/31/79/89/173317989.db2.gz IEDRHYNADXKTOJ-SECBINFHSA-N 1 0 240.372 2.266 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000061300328 173318244 /nfs/dbraw/zinc/31/82/44/173318244.db2.gz RYHHODUMPZTWRH-UHFFFAOYSA-N 1 0 244.697 2.416 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)cc1C ZINC000061300188 173318465 /nfs/dbraw/zinc/31/84/65/173318465.db2.gz VKAJDSDSEAFZDT-UHFFFAOYSA-N 1 0 220.316 2.240 10 0 BEAERO C[NH2+]C(C)(C)CN1CCc2ccccc2C1 ZINC000061319482 173319092 /nfs/dbraw/zinc/31/90/92/173319092.db2.gz OTAIDUPLCFZRGJ-UHFFFAOYSA-N 1 0 218.344 2.043 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1SC ZINC000061300756 173319321 /nfs/dbraw/zinc/31/93/21/173319321.db2.gz HUXXEKOVEXSLTI-UHFFFAOYSA-N 1 0 238.356 2.345 10 0 BEAERO C[NH2+]C(C)(C)c1nnc(C)n1C1CCCC1 ZINC000061152067 173321256 /nfs/dbraw/zinc/32/12/56/173321256.db2.gz LLTGETHGRKTJQH-UHFFFAOYSA-N 1 0 222.336 2.156 10 0 BEAERO C[NH2+]C(C)(C)c1nc(-c2ccsc2)no1 ZINC000061151395 173321535 /nfs/dbraw/zinc/32/15/35/173321535.db2.gz WXOQCKCQOVLJCJ-UHFFFAOYSA-N 1 0 223.301 2.253 10 0 BEAERO CNC1(c2nccs2)CC[NH+](C(C)C)CC1 ZINC000041060327 173321920 /nfs/dbraw/zinc/32/19/20/173321920.db2.gz FVHKYPVSWOSFME-UHFFFAOYSA-N 1 0 239.388 2.062 10 0 BEAERO C[NH2+]C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000050871799 173322745 /nfs/dbraw/zinc/32/27/45/173322745.db2.gz MRZZBTPQSCAEFZ-UHFFFAOYSA-N 1 0 240.297 2.149 10 0 BEAERO C[NH2+]C1CCN([C@H](C)c2ccco2)CC1 ZINC000035739392 173324012 /nfs/dbraw/zinc/32/40/12/173324012.db2.gz WDLKBNSWKLZEQG-SNVBAGLBSA-N 1 0 208.305 2.024 10 0 BEAERO C[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000095071546 173324282 /nfs/dbraw/zinc/32/42/82/173324282.db2.gz AWLPPBTWBUUEPP-UHFFFAOYSA-N 1 0 247.367 2.485 10 0 BEAERO C[NH2+]C1CCN(c2cc(F)cc(F)c2F)CC1 ZINC000061118236 173324387 /nfs/dbraw/zinc/32/43/87/173324387.db2.gz FETOVESXRKGHAC-UHFFFAOYSA-N 1 0 244.260 2.292 10 0 BEAERO C[NH2+]CC(=O)c1ccc(Br)c(C)c1 ZINC000082550313 173335838 /nfs/dbraw/zinc/33/58/38/173335838.db2.gz GMAIRTOASDBBTJ-UHFFFAOYSA-N 1 0 242.116 2.160 10 0 BEAERO C[NH2+]CC(=O)c1cc2cccc(Cl)c2o1 ZINC000083044120 173335945 /nfs/dbraw/zinc/33/59/45/173335945.db2.gz VCGCSFRWMSOLJT-UHFFFAOYSA-N 1 0 223.659 2.488 10 0 BEAERO C[NH2+]CC(C)(C)Oc1ccc(F)c(F)c1 ZINC000051957974 173336060 /nfs/dbraw/zinc/33/60/60/173336060.db2.gz NGSDHPUHEAQKTG-UHFFFAOYSA-N 1 0 215.243 2.342 10 0 BEAERO C[NH2+]CC(=O)c1cc(Cl)cc(Cl)c1 ZINC000082536361 173336325 /nfs/dbraw/zinc/33/63/25/173336325.db2.gz WBOOPQUOUZLHRS-UHFFFAOYSA-N 1 0 218.083 2.396 10 0 BEAERO C[NH2+]CCCN(C)c1cc(Cl)ccc1OC ZINC000077391611 173347420 /nfs/dbraw/zinc/34/74/20/173347420.db2.gz WMYBLMZQEIVWCY-UHFFFAOYSA-N 1 0 242.750 2.394 10 0 BEAERO C[NH2+]CCCNCc1cccc(C)c1Cl ZINC000083355110 173349744 /nfs/dbraw/zinc/34/97/44/173349744.db2.gz SEVWJKZENRIAFS-UHFFFAOYSA-N 1 0 226.751 2.348 10 0 BEAERO C[NH2+]CCCc1cnn(-c2ccccc2OC)c1 ZINC000062606347 173350490 /nfs/dbraw/zinc/35/04/90/173350490.db2.gz QEEJGTGBFLCSEI-UHFFFAOYSA-N 1 0 245.326 2.033 10 0 BEAERO C[NH2+]CCN(C)Cc1cc(C)n(C2CC2)c1C ZINC000077371623 173352805 /nfs/dbraw/zinc/35/28/05/173352805.db2.gz FFAOHPZWJTWFNY-UHFFFAOYSA-N 1 0 235.375 2.091 10 0 BEAERO C[NH2+]CCOCCc1ccc(C)c(C)c1 ZINC000077300889 173356577 /nfs/dbraw/zinc/35/65/77/173356577.db2.gz ZPXKETHTGJRNSN-UHFFFAOYSA-N 1 0 207.317 2.082 10 0 BEAERO C[NH2+]CCOCc1ccc2c(c1)ncn2C(C)C ZINC000077418414 173356779 /nfs/dbraw/zinc/35/67/79/173356779.db2.gz HIOYVLVDTGNILZ-UHFFFAOYSA-N 1 0 247.342 2.353 10 0 BEAERO C[NH2+]CCOCCc1ccc(F)c(Cl)c1 ZINC000077362197 173356839 /nfs/dbraw/zinc/35/68/39/173356839.db2.gz WRJMRUPHVHXVDD-UHFFFAOYSA-N 1 0 231.698 2.258 10 0 BEAERO C[NH2+]CCO[C@@H]1CCCc2ccccc21 ZINC000043498474 173357102 /nfs/dbraw/zinc/35/71/02/173357102.db2.gz IGPGZCSTCNFYHI-CYBMUJFWSA-N 1 0 205.301 2.300 10 0 BEAERO C[NH2+]CC[C@@H](C)c1ccc(OC)cc1OC ZINC000041242874 173357756 /nfs/dbraw/zinc/35/77/56/173357756.db2.gz VMPVNMXRBHPRRJ-SNVBAGLBSA-N 1 0 223.316 2.417 10 0 BEAERO C[NH2+]CC[C@@H](O)c1ccc(Br)cc1 ZINC000049831640 173358248 /nfs/dbraw/zinc/35/82/48/173358248.db2.gz VEHZIQGSFCXDJB-SNVBAGLBSA-N 1 0 244.132 2.092 10 0 BEAERO C[NH2+]CC[C@@H](O)c1ccc(C(C)C)cc1OC ZINC000071548382 173358453 /nfs/dbraw/zinc/35/84/53/173358453.db2.gz LZTHHISLXIVKQA-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO C[NH2+]CC[C@H](O)c1ccc(OC(C)C)c(C)c1 ZINC000071548319 173358831 /nfs/dbraw/zinc/35/88/31/173358831.db2.gz YEZTTYYQSQPBAT-ZDUSSCGKSA-N 1 0 237.343 2.425 10 0 BEAERO C[NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075959 173358931 /nfs/dbraw/zinc/35/89/31/173358931.db2.gz UCAQXFPIQMJRAJ-LLVKDONJSA-N 1 0 242.363 2.243 10 0 BEAERO C[NH2+]CCc1csc(Br)c1 ZINC000083303981 173360638 /nfs/dbraw/zinc/36/06/38/173360638.db2.gz KRQIHUQMFRMOBY-UHFFFAOYSA-N 1 0 220.135 2.273 10 0 BEAERO C[NH2+]CCc1nc2c(cccc2C)s1 ZINC000082933333 173360851 /nfs/dbraw/zinc/36/08/51/173360851.db2.gz QAFQPQHCMBTWIN-UHFFFAOYSA-N 1 0 206.314 2.367 10 0 BEAERO C[NH2+]CCc1nc(C)cc(-c2ccccc2)n1 ZINC000071396890 173360893 /nfs/dbraw/zinc/36/08/93/173360893.db2.gz KZCLEICNSSQJQJ-UHFFFAOYSA-N 1 0 227.311 2.214 10 0 BEAERO C[NH2+]CCc1noc(-c2cccc(C)c2C)n1 ZINC000051850806 173362231 /nfs/dbraw/zinc/36/22/31/173362231.db2.gz IADDZJHALVLVPG-UHFFFAOYSA-N 1 0 231.299 2.115 10 0 BEAERO C[NH2+]C[C@@H](C)COc1ccc(F)c(F)c1 ZINC000041228113 173364135 /nfs/dbraw/zinc/36/41/35/173364135.db2.gz YLTRIHCWDFJGHV-MRVPVSSYSA-N 1 0 215.243 2.199 10 0 BEAERO C[NH2+]C[C@@H](C)OCc1ccc2ncccc2c1 ZINC000051841947 173364859 /nfs/dbraw/zinc/36/48/59/173364859.db2.gz QPHOFALVLMLACG-LLVKDONJSA-N 1 0 230.311 2.359 10 0 BEAERO C[NH2+]C[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000052373555 173364877 /nfs/dbraw/zinc/36/48/77/173364877.db2.gz JKXNYYUQSRRWIG-LLVKDONJSA-N 1 0 212.381 2.352 10 0 BEAERO C[NH2+]C[C@@H](C)Sc1nc(C)cs1 ZINC000053611923 173364942 /nfs/dbraw/zinc/36/49/42/173364942.db2.gz BRPDUJBFFLSDLA-SSDOTTSWSA-N 1 0 202.348 2.152 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1ccc(Br)cc1 ZINC000052664075 173364975 /nfs/dbraw/zinc/36/49/75/173364975.db2.gz GXONJGRHSWQQMX-MRVPVSSYSA-N 1 0 244.132 2.436 10 0 BEAERO C[NH2+]C[C@@H](C)c1nc2c(s1)CCCC2 ZINC000041225109 173365006 /nfs/dbraw/zinc/36/50/06/173365006.db2.gz RIUZGZQWFDFZOQ-MRVPVSSYSA-N 1 0 210.346 2.345 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1ccc(F)c(Cl)c1 ZINC000053586543 173365073 /nfs/dbraw/zinc/36/50/73/173365073.db2.gz DEGDHGNUJZEGPD-SSDOTTSWSA-N 1 0 217.671 2.466 10 0 BEAERO C[NH2+]C[C@@H](O)CSc1ccc(C(C)C)cc1 ZINC000019686903 173365544 /nfs/dbraw/zinc/36/55/44/173365544.db2.gz HKJBMTVLKALBOD-GFCCVEGCSA-N 1 0 239.384 2.482 10 0 BEAERO C[NH2+]C[C@@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000019864615 173365566 /nfs/dbraw/zinc/36/55/66/173365566.db2.gz JZCYLQQLQRQXPX-GFCCVEGCSA-N 1 0 237.343 2.078 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1Cc1cccs1 ZINC000042407731 173367134 /nfs/dbraw/zinc/36/71/34/173367134.db2.gz UYPYICQNEQUJBX-NSHDSACASA-N 1 0 224.373 2.322 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2F)C1 ZINC000011892448 173370301 /nfs/dbraw/zinc/37/03/01/173370301.db2.gz COFAIKLMBPOGAY-QMMMGPOBSA-N 1 0 244.260 2.150 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cc(C)ccc2OC)C1 ZINC000011892321 173370669 /nfs/dbraw/zinc/37/06/69/173370669.db2.gz ZCSAEXAWOLLPFQ-LBPRGKRZSA-N 1 0 234.343 2.049 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000011892226 173370783 /nfs/dbraw/zinc/37/07/83/173370783.db2.gz KQZRTHFJBLGEJI-JTQLQIEISA-N 1 0 224.735 2.386 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(SC)cc2)C1 ZINC000053011538 173371344 /nfs/dbraw/zinc/37/13/44/173371344.db2.gz HLXYLLAOPVNSML-NSHDSACASA-N 1 0 236.384 2.454 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062720990 173371454 /nfs/dbraw/zinc/37/14/54/173371454.db2.gz FHGAICBITSRJLA-JGVFFNPUSA-N 1 0 215.218 2.427 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1cc(F)ccc1F ZINC000054589842 173371607 /nfs/dbraw/zinc/37/16/07/173371607.db2.gz SNIWEUJYISBKKL-QPUJVOFHSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)c(C)c1 ZINC000054589047 173371980 /nfs/dbraw/zinc/37/19/80/173371980.db2.gz MAWAEXALROCXEW-NWDGAFQWSA-N 1 0 205.301 2.327 10 0 BEAERO C[NH2+]C[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062720994 173372587 /nfs/dbraw/zinc/37/25/87/173372587.db2.gz FHGAICBITSRJLA-YUMQZZPRSA-N 1 0 215.218 2.427 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1cc(F)ccc1F ZINC000054589840 173372642 /nfs/dbraw/zinc/37/26/42/173372642.db2.gz SNIWEUJYISBKKL-UFBFGSQYSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@H](C(C)C)N1CCC(C)(C)CC1 ZINC000061823304 173373024 /nfs/dbraw/zinc/37/30/24/173373024.db2.gz TWGCGUZVOHZIME-GFCCVEGCSA-N 1 0 212.381 2.352 10 0 BEAERO C[NH2+]C[C@H](C(C)C)N1CCc2ccccc21 ZINC000052420189 173373062 /nfs/dbraw/zinc/37/30/62/173373062.db2.gz HMCWVEWNONRZJR-CQSZACIVSA-N 1 0 218.344 2.293 10 0 BEAERO C[NH2+]C[C@H](C(C)C)n1ncc2ccccc21 ZINC000052574289 173373395 /nfs/dbraw/zinc/37/33/95/173373395.db2.gz XTJXQBQWIRWRBH-CYBMUJFWSA-N 1 0 217.316 2.453 10 0 BEAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000130864405 173374756 /nfs/dbraw/zinc/37/47/56/173374756.db2.gz CXKWXSPMZTVFHZ-XQQFMLRXSA-N 1 0 240.391 2.173 10 0 BEAERO C[NH2+]C[C@H](C)Oc1ccnc2ccccc21 ZINC000051867873 173375988 /nfs/dbraw/zinc/37/59/88/173375988.db2.gz FPWQFQKQFFCOCD-JTQLQIEISA-N 1 0 216.284 2.222 10 0 BEAERO C[NH2+]C[C@H](C)Sc1nc(C)cs1 ZINC000053611921 173376000 /nfs/dbraw/zinc/37/60/00/173376000.db2.gz BRPDUJBFFLSDLA-ZETCQYMHSA-N 1 0 202.348 2.152 10 0 BEAERO C[NH2+]C[C@H](C)n1ccnc1-c1cccs1 ZINC000053542594 173376256 /nfs/dbraw/zinc/37/62/56/173376256.db2.gz ZNZLTTUERMDBPN-VIFPVBQESA-N 1 0 221.329 2.392 10 0 BEAERO C[NH2+]C[C@H](O)c1cc(Br)ccc1C ZINC000083256295 173376851 /nfs/dbraw/zinc/37/68/51/173376851.db2.gz DBHRGLWUAREWMW-JTQLQIEISA-N 1 0 244.132 2.010 10 0 BEAERO C[NH2+]C[C@H](OC)c1ccc(OC(C)C)cc1 ZINC000071531200 173377977 /nfs/dbraw/zinc/37/79/77/173377977.db2.gz ONGBZJOIOAAKRB-ZDUSSCGKSA-N 1 0 223.316 2.381 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cccc3cccnc32)C1 ZINC000053010954 173381283 /nfs/dbraw/zinc/38/12/83/173381283.db2.gz HOTCHHLZULFFTC-GFCCVEGCSA-N 1 0 241.338 2.281 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(F)cc2C)C1 ZINC000053012357 173381555 /nfs/dbraw/zinc/38/15/55/173381555.db2.gz HPMDRVFOQINYAA-LLVKDONJSA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@H]1CCN([C@H](C)c2ccc(C)o2)C1 ZINC000053031950 173381842 /nfs/dbraw/zinc/38/18/42/173381842.db2.gz KMVKCQPUNKXPNI-VXGBXAGGSA-N 1 0 222.332 2.190 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cc(C)ccc2C)C1 ZINC000011892152 173382299 /nfs/dbraw/zinc/38/22/99/173382299.db2.gz MHOZEJPRRZQHNV-CYBMUJFWSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1ccc(F)cc1F ZINC000054589555 173382610 /nfs/dbraw/zinc/38/26/10/173382610.db2.gz PTBSWGZAKVDUHP-PRHODGIISA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@](C)(CN(C)C1CC1)c1ccccc1 ZINC000051215174 173383367 /nfs/dbraw/zinc/38/33/67/173383367.db2.gz XCBJOVUIEXZWJE-OAHLLOKOSA-N 1 0 232.371 2.258 10 0 BEAERO C[NH2+]Cc1c(C)nc(-c2cc(C)ccn2)nc1C ZINC000104429246 173383892 /nfs/dbraw/zinc/38/38/92/173383892.db2.gz WAZMNUVZSZCBJS-UHFFFAOYSA-N 1 0 242.326 2.183 10 0 BEAERO C[NH2+]Cc1c(C)nc(C2CCCC2)nc1C ZINC000054854021 173383949 /nfs/dbraw/zinc/38/39/49/173383949.db2.gz HNNSRAPNEWMIMM-UHFFFAOYSA-N 1 0 219.332 2.470 10 0 BEAERO C[NH2+]Cc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000054830975 173385753 /nfs/dbraw/zinc/38/57/53/173385753.db2.gz PEFHOCLANSGYLO-UHFFFAOYSA-N 1 0 231.274 2.311 10 0 BEAERO C[NH2+]Cc1cc(C)ccc1OCc1cnn(C)c1 ZINC000071403554 173385934 /nfs/dbraw/zinc/38/59/34/173385934.db2.gz XHDQWXUSIYWYTK-UHFFFAOYSA-N 1 0 245.326 2.027 10 0 BEAERO C[NH2+]Cc1cc(C(F)(F)F)cnc1Cl ZINC000095756636 173386221 /nfs/dbraw/zinc/38/62/21/173386221.db2.gz HCCNNUZSXJUFQH-UHFFFAOYSA-N 1 0 224.613 2.473 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1-n1cc(Cl)cn1 ZINC000038053873 173386510 /nfs/dbraw/zinc/38/65/10/173386510.db2.gz JELXCYLKUYXQTJ-UHFFFAOYSA-N 1 0 239.681 2.384 10 0 BEAERO C[NH2+]Cc1cc(Cn2nc(C)c(C)c2C)c(C)o1 ZINC000052591679 173387175 /nfs/dbraw/zinc/38/71/75/173387175.db2.gz XQDWZYUPXNMZKD-UHFFFAOYSA-N 1 0 247.342 2.477 10 0 BEAERO C[NH2+]Cc1cc(Cl)cc(OC)c1OC ZINC000040722117 173387594 /nfs/dbraw/zinc/38/75/94/173387594.db2.gz SURCRPLZALWVGX-UHFFFAOYSA-N 1 0 215.680 2.077 10 0 BEAERO C[NH2+]Cc1ccc(OCc2ccccc2)nc1 ZINC000051523315 173388722 /nfs/dbraw/zinc/38/87/22/173388722.db2.gz CNCOSMNBDAFJOJ-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000036282576 173389498 /nfs/dbraw/zinc/38/94/98/173389498.db2.gz FDMFBEUZPLHOFQ-UHFFFAOYSA-N 1 0 241.294 2.053 10 0 BEAERO C[NH2+]Cc1ccccc1N1CCC[C@@H]1C ZINC000037911773 173390049 /nfs/dbraw/zinc/39/00/49/173390049.db2.gz FICDAFRIBUTEHV-NSHDSACASA-N 1 0 204.317 2.395 10 0 BEAERO C[NH2+]Cc1cccnc1N(C)CC(C)(C)C ZINC000051518101 173390192 /nfs/dbraw/zinc/39/01/92/173390192.db2.gz INYWUNUNAHBFLW-UHFFFAOYSA-N 1 0 221.348 2.283 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)c1ccncc1 ZINC000036280767 173390353 /nfs/dbraw/zinc/39/03/53/173390353.db2.gz DYKXKPFRZNKRNT-UHFFFAOYSA-N 1 0 241.294 2.053 10 0 BEAERO C[NH2+]Cc1ccccc1N(C)Cc1ccccn1 ZINC000036777848 173390672 /nfs/dbraw/zinc/39/06/72/173390672.db2.gz XITVKUQPWMNRHY-UHFFFAOYSA-N 1 0 241.338 2.437 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)c1cccnc1 ZINC000036280778 173390742 /nfs/dbraw/zinc/39/07/42/173390742.db2.gz UJFDWTICPJOYAM-UHFFFAOYSA-N 1 0 241.294 2.053 10 0 BEAERO C[NH2+]Cc1cn(C)nc1-c1ccc(C)cc1C ZINC000031886963 173390940 /nfs/dbraw/zinc/39/09/40/173390940.db2.gz ISDDFKHRQGLDJD-UHFFFAOYSA-N 1 0 229.327 2.423 10 0 BEAERO C[NH2+]Cc1cn(C)nc1-c1ccc(Cl)cc1 ZINC000031886974 173391143 /nfs/dbraw/zinc/39/11/43/173391143.db2.gz SEZYWXLDDAVFRM-UHFFFAOYSA-N 1 0 235.718 2.460 10 0 BEAERO C[NH2+]Cc1cnc2c(cnn2[C@@H](C)C2CC2)c1 ZINC000104326731 173392429 /nfs/dbraw/zinc/39/24/29/173392429.db2.gz BKPBYTVCQBBZMJ-VIFPVBQESA-N 1 0 230.315 2.122 10 0 BEAERO C[NH2+]Cc1cnc2c(cnn2[C@H](C)C2CC2)c1 ZINC000104326734 173392432 /nfs/dbraw/zinc/39/24/32/173392432.db2.gz BKPBYTVCQBBZMJ-SECBINFHSA-N 1 0 230.315 2.122 10 0 BEAERO C[NH2+]Cc1cnc(N2CC[C@H](C)C[C@H]2C)s1 ZINC000054905297 173392670 /nfs/dbraw/zinc/39/26/70/173392670.db2.gz AYOQETAOMFVKRF-VHSXEESVSA-N 1 0 239.388 2.487 10 0 BEAERO C[NH2+]Cc1cnn(Cc2cccc(Cl)c2)c1 ZINC000054719154 173393039 /nfs/dbraw/zinc/39/30/39/173393039.db2.gz XKXQOATVPNGZSM-UHFFFAOYSA-N 1 0 235.718 2.304 10 0 BEAERO C[NH2+]Cc1csc(Cc2nc(C)cs2)n1 ZINC000055269663 173393075 /nfs/dbraw/zinc/39/30/75/173393075.db2.gz OWXFERAGZBMORQ-UHFFFAOYSA-N 1 0 239.369 2.218 10 0 BEAERO C[NH2+]Cc1cnn(Cc2ccc(C)cc2)c1C ZINC000042355804 173393148 /nfs/dbraw/zinc/39/31/48/173393148.db2.gz DKDMCEBRAINKMY-UHFFFAOYSA-N 1 0 229.327 2.268 10 0 BEAERO C[NH2+]Cc1csc(N2CCC[C@H](C)C2)n1 ZINC000062214911 173393332 /nfs/dbraw/zinc/39/33/32/173393332.db2.gz SZEJTIVFCMVEAR-VIFPVBQESA-N 1 0 225.361 2.099 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(C)cc2)c[nH]1 ZINC000036877322 173394366 /nfs/dbraw/zinc/39/43/66/173394366.db2.gz KWGOVLASVBWYCU-UHFFFAOYSA-N 1 0 201.273 2.105 10 0 BEAERO C[NH2+]Cc1nc(CN2CCCCCC2)cs1 ZINC000052381714 173395453 /nfs/dbraw/zinc/39/54/53/173395453.db2.gz OMYMQDYDYXXHFF-UHFFFAOYSA-N 1 0 239.388 2.239 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(F)cc2)c(C)[nH]1 ZINC000036877249 173395636 /nfs/dbraw/zinc/39/56/36/173395636.db2.gz XFLXSECCSWWGQL-UHFFFAOYSA-N 1 0 219.263 2.244 10 0 BEAERO C[NH2+]Cc1nnc(-c2ccc(Cl)s2)o1 ZINC000051173461 173397664 /nfs/dbraw/zinc/39/76/64/173397664.db2.gz WUEYOCBWJPBWPJ-UHFFFAOYSA-N 1 0 229.692 2.171 10 0 BEAERO C[NH2+][C@@H](C)c1cc2c(cc1Cl)OCCO2 ZINC000035501344 173418454 /nfs/dbraw/zinc/41/84/54/173418454.db2.gz QZIDCPFQMPFGCK-ZETCQYMHSA-N 1 0 227.691 2.392 10 0 BEAERO C[NH2+][C@@H](C)c1sc(N2CCCC2)nc1C ZINC000054899932 173421990 /nfs/dbraw/zinc/42/19/90/173421990.db2.gz QUMSCICYINCLLX-QMMMGPOBSA-N 1 0 225.361 2.332 10 0 BEAERO C[NH2+][C@@H](Cc1ccc(C)cc1)[C@@H]1CCOC1 ZINC000048627957 173424942 /nfs/dbraw/zinc/42/49/42/173424942.db2.gz YRUISTMLZUZCBE-KGLIPLIRSA-N 1 0 219.328 2.162 10 0 BEAERO C[NH2+][C@@H](Cc1cccs1)c1cnccn1 ZINC000053828561 173425658 /nfs/dbraw/zinc/42/56/58/173425658.db2.gz TZBWAECGPUZFSE-JTQLQIEISA-N 1 0 219.313 2.041 10 0 BEAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000048623909 173427640 /nfs/dbraw/zinc/42/76/40/173427640.db2.gz NYQGKXCWWOTYAJ-SKDRFNHKSA-N 1 0 227.254 2.262 10 0 BEAERO C[NH2+][C@@H](c1ncccn1)C1CCCCC1 ZINC000037469150 173430171 /nfs/dbraw/zinc/43/01/71/173430171.db2.gz OVRZEAZOXGGSLE-LLVKDONJSA-N 1 0 205.305 2.317 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]1Oc1cccc(F)c1F ZINC000062614060 173434792 /nfs/dbraw/zinc/43/47/92/173434792.db2.gz DOKMQESUTLWTEE-NXEZZACHSA-N 1 0 227.254 2.484 10 0 BEAERO C[NH2+][C@H](C)c1ccccc1-n1ccc(C)n1 ZINC000052884434 173449400 /nfs/dbraw/zinc/44/94/00/173449400.db2.gz QSWKSESGADRGKO-LLVKDONJSA-N 1 0 215.300 2.461 10 0 BEAERO C[NH2+][C@H](C)c1sc(-c2cnn(C)c2)nc1C ZINC000040995266 173451297 /nfs/dbraw/zinc/45/12/97/173451297.db2.gz ZVTCHCXJDVLJSP-SSDOTTSWSA-N 1 0 236.344 2.132 10 0 BEAERO C[NH2+][C@H](Cc1cnn(C)c1)c1cc(F)ccc1C ZINC000052139374 173455310 /nfs/dbraw/zinc/45/53/10/173455310.db2.gz UEHFEXBIAFYINP-CQSZACIVSA-N 1 0 247.317 2.371 10 0 BEAERO C[NH2+][C@H](Cc1ccsc1)C1CCOCC1 ZINC000061672878 173455437 /nfs/dbraw/zinc/45/54/37/173455437.db2.gz XTGMWIVLIPGHHU-GFCCVEGCSA-N 1 0 225.357 2.305 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)[C@@H]1C[C@H]1C ZINC000035497363 173456998 /nfs/dbraw/zinc/45/69/98/173456998.db2.gz CGWYCMXDOLCPHO-DDHOLCJHSA-N 1 0 244.338 2.122 10 0 BEAERO C[NH2+][C@H]1CCOC[C@H]1Cc1ccc(C)cc1 ZINC000095075886 173467255 /nfs/dbraw/zinc/46/72/55/173467255.db2.gz AJJLKVPXIJBVJJ-KGLIPLIRSA-N 1 0 219.328 2.162 10 0 BEAERO C[NH2+][C@H]1CCOC[C@@H]1Oc1ccccc1Cl ZINC000049959750 173467361 /nfs/dbraw/zinc/46/73/61/173467361.db2.gz KFIMOKNZWMGZGX-JQWIXIFHSA-N 1 0 241.718 2.096 10 0 BEAERO C[NH2+][C@](C)(CO)c1cccc2ccccc21 ZINC000038121133 173469769 /nfs/dbraw/zinc/46/97/69/173469769.db2.gz JQGLYEONIMCBDC-CQSZACIVSA-N 1 0 215.296 2.267 10 0 BEAERO COC(=O)CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000083375243 173542358 /nfs/dbraw/zinc/54/23/58/173542358.db2.gz PTTZOWAOFWYKIM-UHFFFAOYSA-N 1 0 246.310 2.211 10 0 BEAERO COC(=O)CCC[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062334076 173545905 /nfs/dbraw/zinc/54/59/05/173545905.db2.gz CRFWOCPGRZHXJZ-CYBMUJFWSA-N 1 0 249.310 2.060 10 0 BEAERO COC(=O)[C@H](C)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000042493603 173766047 /nfs/dbraw/zinc/76/60/47/173766047.db2.gz RRTUCUGCJCGZTD-TUAOUCFPSA-N 1 0 227.348 2.306 10 0 BEAERO COC1CC[NH+](C[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000053883125 174028089 /nfs/dbraw/zinc/02/80/89/174028089.db2.gz PJRXQABFBHNCAH-JSGCOSHPSA-N 1 0 241.375 2.038 10 0 BEAERO COC1CC[NH+](Cc2ccc(N)c(C)c2)CC1 ZINC000037266484 174030112 /nfs/dbraw/zinc/03/01/12/174030112.db2.gz AFSPDMUJGSTPRO-UHFFFAOYSA-N 1 0 234.343 2.188 10 0 BEAERO COCC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000336726342 174074730 /nfs/dbraw/zinc/07/47/30/174074730.db2.gz VKXJAOZRSSMNIY-TUAOUCFPSA-N 1 0 241.375 2.062 10 0 BEAERO COCCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000044657329 174203556 /nfs/dbraw/zinc/20/35/56/174203556.db2.gz NCJJEXUDRDXKKJ-ZDUSSCGKSA-N 1 0 235.327 2.396 10 0 BEAERO COCCC[N@H+](C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O ZINC000062034309 174219884 /nfs/dbraw/zinc/21/98/84/174219884.db2.gz SKOPMDGKZQHLQF-MJBXVCDLSA-N 1 0 243.391 2.140 10 0 BEAERO COCCC[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000053487241 174247273 /nfs/dbraw/zinc/24/72/73/174247273.db2.gz PWVKTJWSRDNYCK-ZDUSSCGKSA-N 1 0 248.370 2.064 10 0 BEAERO COCCCO[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042969311 174256024 /nfs/dbraw/zinc/25/60/24/174256024.db2.gz IPMCISYNUXTGLT-OCCSQVGLSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043040350 174256525 /nfs/dbraw/zinc/25/65/25/174256525.db2.gz FPRMOQXSFATQJQ-GXTWGEPZSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCOc1ccc([C@@H](C)[NH3+])cc1OC ZINC000037753389 174256810 /nfs/dbraw/zinc/25/68/10/174256810.db2.gz YKAIUFDFDRDIJX-SNVBAGLBSA-N 1 0 239.315 2.130 10 0 BEAERO COCCN(C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557093 174274602 /nfs/dbraw/zinc/27/46/02/174274602.db2.gz LEOAVNDINBEUFN-UHFFFAOYSA-N 1 0 242.407 2.108 10 0 BEAERO COCCN([C@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042902219 174284473 /nfs/dbraw/zinc/28/44/73/174284473.db2.gz BSEQKBFUDFFABR-DOMZBBRYSA-N 1 0 248.370 2.186 10 0 BEAERO COCC[N@H+](CC(=O)C(C)(C)C)[C@H](C)C1CC1 ZINC000042680725 174284814 /nfs/dbraw/zinc/28/48/14/174284814.db2.gz HLAYDZVFAZIQNT-LLVKDONJSA-N 1 0 241.375 2.349 10 0 BEAERO COCCN([C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000042517856 174285386 /nfs/dbraw/zinc/28/53/86/174285386.db2.gz OLRBCNZBYUBKLR-AWEZNQCLSA-N 1 0 240.391 2.005 10 0 BEAERO COCCN([C@@H](C[NH2+]C(C)C)C(C)C)C1CC1 ZINC000052542337 174285396 /nfs/dbraw/zinc/28/53/96/174285396.db2.gz WDSXQZRYCUAXEO-AWEZNQCLSA-N 1 0 242.407 2.120 10 0 BEAERO COCC[N@H+](CCC(C)=O)Cc1ccccc1 ZINC000121018961 174289812 /nfs/dbraw/zinc/28/98/12/174289812.db2.gz SBNTVEFOIFNKTF-UHFFFAOYSA-N 1 0 235.327 2.114 10 0 BEAERO COCC[N@H+](C[C@H](N)C(C)(C)C)[C@H](C)C1CC1 ZINC000042616200 174297760 /nfs/dbraw/zinc/29/77/60/174297760.db2.gz QHZAAOJWXORWBW-YPMHNXCESA-N 1 0 242.407 2.107 10 0 BEAERO COCC[N@H+](Cc1ccc2c(c1)CCN2)C1CC1 ZINC000042519659 174299462 /nfs/dbraw/zinc/29/94/62/174299462.db2.gz UUKUMPGLAWKRIS-UHFFFAOYSA-N 1 0 246.354 2.265 10 0 BEAERO COCCN(c1ccc(C[C@@H](C)[NH3+])cc1)C1CC1 ZINC000104271175 174302187 /nfs/dbraw/zinc/30/21/87/174302187.db2.gz GLYOBLURICVJFG-GFCCVEGCSA-N 1 0 248.370 2.192 10 0 BEAERO COCC[N@H+]([C@H](C)C1CC1)[C@@H]1CCCC[C@@H]1O ZINC000042681143 174302632 /nfs/dbraw/zinc/30/26/32/174302632.db2.gz PWSRRKDBMQHPKK-BNOWGMLFSA-N 1 0 241.375 2.037 10 0 BEAERO COCC[N@H+]([C@H](CN)CC(C)C)[C@@H](C)C1CC1 ZINC000042615331 174302718 /nfs/dbraw/zinc/30/27/18/174302718.db2.gz UUDWUXQFYBYVSL-JSGCOSHPSA-N 1 0 242.407 2.107 10 0 BEAERO COCCN1CC[N@H+](CCC(C)(C)C)C[C@@H]1C ZINC000112697822 174310685 /nfs/dbraw/zinc/31/06/85/174310685.db2.gz VVOKTFQJSJTZEG-ZDUSSCGKSA-N 1 0 242.407 2.075 10 0 BEAERO COCCNC1=[NH+][C@@]2(CS1)CCC[C@H](C)C2 ZINC000053098592 174330291 /nfs/dbraw/zinc/33/02/91/174330291.db2.gz YRHJNJSCQNSKQZ-JQWIXIFHSA-N 1 0 242.388 2.274 10 0 BEAERO COCC[NH2+]CCOc1cc(C)ccc1Cl ZINC000041289590 174333859 /nfs/dbraw/zinc/33/38/59/174333859.db2.gz JNPPDSRUJWXMMF-UHFFFAOYSA-N 1 0 243.734 2.263 10 0 BEAERO COCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000054659701 174333966 /nfs/dbraw/zinc/33/39/66/174333966.db2.gz BPQMANYQJSYAHD-LBPRGKRZSA-N 1 0 207.317 2.101 10 0 BEAERO COCC[NH2+]Cc1oc2ccccc2c1C ZINC000045206667 174336917 /nfs/dbraw/zinc/33/69/17/174336917.db2.gz DMQIEZUBSLRUTC-UHFFFAOYSA-N 1 0 219.284 2.477 10 0 BEAERO COCCO[C@@]1(C[NH2+]C2CC2)CCC[C@H](C)C1 ZINC000050504587 174366959 /nfs/dbraw/zinc/36/69/59/174366959.db2.gz CTDMCEDILWRHDQ-JSGCOSHPSA-N 1 0 241.375 2.350 10 0 BEAERO COCCOc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000041251979 174368988 /nfs/dbraw/zinc/36/89/88/174368988.db2.gz CYKFLPCGPGHGIG-MRVPVSSYSA-N 1 0 229.707 2.385 10 0 BEAERO COCCOc1ccc([C@H]([NH3+])C2CC2)cc1 ZINC000071523178 174369312 /nfs/dbraw/zinc/36/93/12/174369312.db2.gz JRCYQZOZYVFJDQ-CYBMUJFWSA-N 1 0 221.300 2.122 10 0 BEAERO COCC[C@@H](C)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188652 174377895 /nfs/dbraw/zinc/37/78/95/174377895.db2.gz HQSYHJYEDRFUMH-HZSPNIEDSA-N 1 0 240.391 2.018 10 0 BEAERO COCC[C@@H](COC)[NH2+]CC1CCC(C)CC1 ZINC000336719599 174391075 /nfs/dbraw/zinc/39/10/75/174391075.db2.gz RMPKFEDUDCFEBR-RUXDESIVSA-N 1 0 243.391 2.454 10 0 BEAERO COCC[C@@H]([NH3+])CN(C)c1cc(C)cc(C)c1 ZINC000052811039 174391900 /nfs/dbraw/zinc/39/19/00/174391900.db2.gz GFIYFJYLTKRTAR-CYBMUJFWSA-N 1 0 236.359 2.103 10 0 BEAERO COCC[C@@H]([NH3+])c1ccc(F)c(F)c1F ZINC000061838581 174393058 /nfs/dbraw/zinc/39/30/58/174393058.db2.gz AKMYWHZYJOLPRK-MRVPVSSYSA-N 1 0 219.206 2.140 10 0 BEAERO COCC[C@@](C)([NH3+])c1cc(F)cc(F)c1 ZINC000055198392 174399587 /nfs/dbraw/zinc/39/95/87/174399587.db2.gz YBMFUPONVYZPLK-LLVKDONJSA-N 1 0 215.243 2.175 10 0 BEAERO COCCc1nc(-c2cccc(C[NH3+])c2)cs1 ZINC000062938481 174424259 /nfs/dbraw/zinc/42/42/59/174424259.db2.gz GSGKOFOGGKHEEL-UHFFFAOYSA-N 1 0 248.351 2.458 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336775009 174849134 /nfs/dbraw/zinc/84/91/34/174849134.db2.gz XUQWYPXZKMFEFB-OFTGVCEQSA-N 1 0 229.364 2.203 10 0 BEAERO COc1c(C)c[nH+]c(C[C@H]2CCC[C@H]2O)c1C ZINC000043656148 174926338 /nfs/dbraw/zinc/92/63/38/174926338.db2.gz YTFGPVRZCRFDSF-DGCLKSJQSA-N 1 0 235.327 2.411 10 0 BEAERO COc1cc(C)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043327272 174969458 /nfs/dbraw/zinc/96/94/58/174969458.db2.gz FEVXEQKISUSIBQ-NSHDSACASA-N 1 0 220.316 2.168 10 0 BEAERO COc1cc(Cl)c([C@@H](C)[NH3+])cc1OC ZINC000036926194 174988913 /nfs/dbraw/zinc/98/89/13/174988913.db2.gz VXFUKQHVDRQWAJ-ZCFIWIBFSA-N 1 0 215.680 2.377 10 0 BEAERO COc1cc(NC2=[NH+]CCC2)cc(OC)c1 ZINC000003866634 175001248 /nfs/dbraw/zinc/00/12/48/175001248.db2.gz HBKPBBQXFVCDTP-UHFFFAOYSA-N 1 0 220.272 2.308 10 0 BEAERO COc1cc(OC)c([C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000082548853 175008203 /nfs/dbraw/zinc/00/82/03/175008203.db2.gz FCHYQFHCBWCEPO-JTQLQIEISA-N 1 0 237.299 2.137 10 0 BEAERO COc1cc2[nH+]c(C)cc(N)c2c(OC)c1 ZINC000050869952 175008451 /nfs/dbraw/zinc/00/84/51/175008451.db2.gz SYSOAODJKWHKBW-UHFFFAOYSA-N 1 0 218.256 2.143 10 0 BEAERO COc1cc(OC)c2c(c1)OC(C)(C)C[C@H]2[NH3+] ZINC000059315849 175008611 /nfs/dbraw/zinc/00/86/11/175008611.db2.gz GULJGIRKVRSGOB-SECBINFHSA-N 1 0 237.299 2.265 10 0 BEAERO COc1cc(OC)cc(C2CC[NH2+]CC2)c1 ZINC000044135480 175010646 /nfs/dbraw/zinc/01/06/46/175010646.db2.gz DVWVBNPXZPXCMY-UHFFFAOYSA-N 1 0 221.300 2.171 10 0 BEAERO COc1cc(OC)cc([C@@H]2[NH2+]CC[C@H]2C)c1 ZINC000003733623 175011474 /nfs/dbraw/zinc/01/14/74/175011474.db2.gz NTHVLEJLYWYEJT-NOZJJQNGSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cc([C@H]2C[C@H](C)C[NH2+]2)c(C)cc1O ZINC000003705262 175016597 /nfs/dbraw/zinc/01/65/97/175016597.db2.gz IPOUCMSEJCUHPX-GZMMTYOYSA-N 1 0 221.300 2.380 10 0 BEAERO COc1cc2nc(C[NH2+]C(C)C)[nH]c2cc1OC ZINC000042173123 175027919 /nfs/dbraw/zinc/02/79/19/175027919.db2.gz WYCSABIDAREMTN-UHFFFAOYSA-N 1 0 249.314 2.078 10 0 BEAERO COc1cc2sc(C[NH3+])nc2cc1Cl ZINC000031894787 175028947 /nfs/dbraw/zinc/02/89/47/175028947.db2.gz ABEQKCSUBZDKLG-UHFFFAOYSA-N 1 0 228.704 2.417 10 0 BEAERO COc1ccc(-c2c[nH]c([C@@H](C)[NH3+])n2)cc1 ZINC000036872236 175029695 /nfs/dbraw/zinc/02/96/95/175029695.db2.gz GGLVKEPXVANSAQ-MRVPVSSYSA-N 1 0 217.272 2.105 10 0 BEAERO COc1ccc(-c2n[nH]c3c2C[N@H+](C)CC3)cc1 ZINC000082807630 175037985 /nfs/dbraw/zinc/03/79/85/175037985.db2.gz LMQSROFFRWSNIM-UHFFFAOYSA-N 1 0 243.310 2.073 10 0 BEAERO COc1ccc(-c2nc(C)c(C[NH3+])c(C)n2)cc1 ZINC000054836860 175038363 /nfs/dbraw/zinc/03/83/63/175038363.db2.gz SOLZPQUNZVMPOO-UHFFFAOYSA-N 1 0 243.310 2.228 10 0 BEAERO COc1ccc(C(=O)C2CC[NH2+]CC2)c(F)c1 ZINC000036766327 175053127 /nfs/dbraw/zinc/05/31/27/175053127.db2.gz DWQICEURHSFUNH-UHFFFAOYSA-N 1 0 237.274 2.017 10 0 BEAERO COc1ccc(C(=O)[C@@H]2CCCC[NH2+]2)cc1F ZINC000082607481 175065031 /nfs/dbraw/zinc/06/50/31/175065031.db2.gz PSOURYTWIKQGBH-NSHDSACASA-N 1 0 237.274 2.159 10 0 BEAERO COc1ccc(C(=O)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000058327597 175065652 /nfs/dbraw/zinc/06/56/52/175065652.db2.gz VVKBXCCBWKNIOH-NSHDSACASA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(C)cc1C(=O)[C@@H](C[NH3+])C(C)C ZINC000082332608 175073595 /nfs/dbraw/zinc/07/35/95/175073595.db2.gz BDHZHACSZAPGFI-LBPRGKRZSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc(C)cc1[C@@H](CCC[NH3+])OC ZINC000049819454 175079522 /nfs/dbraw/zinc/07/95/22/175079522.db2.gz PUYYVVZRYMFANH-GFCCVEGCSA-N 1 0 223.316 2.430 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])[C@H]1CCOC1 ZINC000048626168 175080467 /nfs/dbraw/zinc/08/04/67/175080467.db2.gz DDHUONPLQRRDML-GWCFXTLKSA-N 1 0 221.300 2.040 10 0 BEAERO COc1ccc(C)cc1[C@@H](C[NH3+])N(C)CC1CC1 ZINC000077424048 175080538 /nfs/dbraw/zinc/08/05/38/175080538.db2.gz AZCMZPQPPANWAA-CQSZACIVSA-N 1 0 248.370 2.345 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)C[N@H+](C)C1CC1 ZINC000042250727 175080666 /nfs/dbraw/zinc/08/06/66/175080666.db2.gz RCEGWXLOKFIAQU-ZDUSSCGKSA-N 1 0 235.327 2.131 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])c1cccnc1 ZINC000011832187 175082079 /nfs/dbraw/zinc/08/20/79/175082079.db2.gz BHHPYKFJZCJLBC-CQSZACIVSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc(C2(C[NH3+])CC2)c(Cl)c1 ZINC000071518425 175084044 /nfs/dbraw/zinc/08/40/44/175084044.db2.gz CXZOUNZHBIRSGK-UHFFFAOYSA-N 1 0 211.692 2.339 10 0 BEAERO COc1ccc(C2([NH3+])CCCC2)c(OC)c1 ZINC000055232536 175084629 /nfs/dbraw/zinc/08/46/29/175084629.db2.gz RVXLDFOWSLNQLT-UHFFFAOYSA-N 1 0 221.300 2.432 10 0 BEAERO COc1ccc(CCC[NH2+]C2CC2)c(OC)c1 ZINC000041265988 175089326 /nfs/dbraw/zinc/08/93/26/175089326.db2.gz URFZKBKQBFIVLP-UHFFFAOYSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(CCC[C@H](C)[NH3+])cc1OC ZINC000041242669 175089506 /nfs/dbraw/zinc/08/95/06/175089506.db2.gz TVRNSGXDJOYLLE-JTQLQIEISA-N 1 0 223.316 2.374 10 0 BEAERO COc1ccc(CC[NH2+]C2CC2)cc1C ZINC000057493401 175091696 /nfs/dbraw/zinc/09/16/96/175091696.db2.gz PVLLXJFJYKURPY-UHFFFAOYSA-N 1 0 205.301 2.298 10 0 BEAERO COc1ccc(CC[n+]2ccccc2)cc1 ZINC000005359785 175093422 /nfs/dbraw/zinc/09/34/22/175093422.db2.gz WTDUWYFKAPRORY-UHFFFAOYSA-N 1 0 214.288 2.225 10 0 BEAERO COc1ccc(CC[C@@H]2CCC[NH2+]2)cc1 ZINC000003732310 175093973 /nfs/dbraw/zinc/09/39/73/175093973.db2.gz SFDVQIVTCDPHGN-LBPRGKRZSA-N 1 0 205.301 2.380 10 0 BEAERO COc1ccc(C[NH3+])cc1COCC(F)(F)F ZINC000016941987 175096876 /nfs/dbraw/zinc/09/68/76/175096876.db2.gz AQUTWEXHVRCOOF-UHFFFAOYSA-N 1 0 249.232 2.233 10 0 BEAERO COc1ccc(CN(CC[NH3+])C2CCCC2)cc1 ZINC000032103939 175097424 /nfs/dbraw/zinc/09/74/24/175097424.db2.gz NHBGZWAUQOWDQJ-UHFFFAOYSA-N 1 0 248.370 2.399 10 0 BEAERO COc1ccc(C[NH3+])cc1OCC(C)C ZINC000020470948 175097717 /nfs/dbraw/zinc/09/77/17/175097717.db2.gz XRBRCJLXGSIRQP-UHFFFAOYSA-N 1 0 209.289 2.189 10 0 BEAERO COc1ccc(C[NH2+][C@H](C)c2cccs2)nn1 ZINC000283238815 175111479 /nfs/dbraw/zinc/11/14/79/175111479.db2.gz UPWYOXCXRZTTSH-SECBINFHSA-N 1 0 249.339 2.398 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])CC2CC2)cc1OC ZINC000049730944 175115907 /nfs/dbraw/zinc/11/59/07/175115907.db2.gz MDNMGSLEFWKIOU-LBPRGKRZSA-N 1 0 235.327 2.374 10 0 BEAERO COc1ccc(C[C@H]([NH3+])Cc2ccncc2)cc1 ZINC000088529989 175117248 /nfs/dbraw/zinc/11/72/48/175117248.db2.gz BASUDMFRMZIDJS-AWEZNQCLSA-N 1 0 242.322 2.203 10 0 BEAERO COc1ccc(C[C@H](C)[C@H](C)[NH3+])cc1F ZINC000037947432 175117357 /nfs/dbraw/zinc/11/73/57/175117357.db2.gz GCKLLJCOWPRSAU-IUCAKERBSA-N 1 0 211.280 2.360 10 0 BEAERO COc1ccc(Cl)c2c1NCC[C@H]2[NH3+] ZINC000082372187 175118409 /nfs/dbraw/zinc/11/84/09/175118409.db2.gz MMGMVAJEPJAXRO-SSDOTTSWSA-N 1 0 212.680 2.164 10 0 BEAERO COc1ccc(Cl)cc1C1(C)C[NH2+]C1 ZINC000071518401 175120632 /nfs/dbraw/zinc/12/06/32/175120632.db2.gz KOWFAYAUAFGCEP-UHFFFAOYSA-N 1 0 211.692 2.210 10 0 BEAERO COc1ccc(Cl)cc1C[C@H](C)C[NH3+] ZINC000052946738 175121045 /nfs/dbraw/zinc/12/10/45/175121045.db2.gz GINWBETXTSSILU-QMMMGPOBSA-N 1 0 213.708 2.486 10 0 BEAERO COc1ccc(F)cc1[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000040393076 175133201 /nfs/dbraw/zinc/13/32/01/175133201.db2.gz AZMKBJHIXZCVNL-CABZTGNLSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc(F)cc1[C@@H](OCC[NH3+])C1CC1 ZINC000071549352 175133302 /nfs/dbraw/zinc/13/33/02/175133302.db2.gz JWDXFSMPCXJKKY-ZDUSSCGKSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc(F)cc1[C@@H](O)C[NH2+]CC(C)C ZINC000049830553 175133375 /nfs/dbraw/zinc/13/33/75/175133375.db2.gz IEMIIGLIMJJYJZ-LBPRGKRZSA-N 1 0 241.306 2.113 10 0 BEAERO COc1ccc(F)cc1[C@H]1CC[C@H](CC[NH3+])O1 ZINC000040865760 175134798 /nfs/dbraw/zinc/13/47/98/175134798.db2.gz WFCMRRKVDOAHNR-ZWNOBZJWSA-N 1 0 239.290 2.403 10 0 BEAERO COc1ccc(NC(=O)CC[NH2+]C2CC2)cc1C ZINC000049532025 175141177 /nfs/dbraw/zinc/14/11/77/175141177.db2.gz ZVVKRYRIKLRJLW-UHFFFAOYSA-N 1 0 248.326 2.084 10 0 BEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000019505812 175145705 /nfs/dbraw/zinc/14/57/05/175145705.db2.gz ODXQOPHQNYPDDB-GWCFXTLKSA-N 1 0 248.326 2.164 10 0 BEAERO COc1ccc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000019430477 175146688 /nfs/dbraw/zinc/14/66/88/175146688.db2.gz YHDGNEINAYTTRI-MNOVXSKESA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000019505813 175146697 /nfs/dbraw/zinc/14/66/97/175146697.db2.gz ODXQOPHQNYPDDB-GXFFZTMASA-N 1 0 248.326 2.164 10 0 BEAERO COc1ccc(NCC[C@H](C)C[NH3+])cc1 ZINC000049814311 175150514 /nfs/dbraw/zinc/15/05/14/175150514.db2.gz AIIJHRYWXOKICH-JTQLQIEISA-N 1 0 208.305 2.092 10 0 BEAERO COc1ccc(NCc2c[nH]c(C)n2)cc1F ZINC000054821614 175151232 /nfs/dbraw/zinc/15/12/32/175151232.db2.gz BDOBCYODFOCXIZ-UHFFFAOYSA-N 1 0 235.262 2.478 10 0 BEAERO COc1ccc(N[C@H]2CC[N@H+](C)C2)cc1C ZINC000061989630 175155331 /nfs/dbraw/zinc/15/53/31/175155331.db2.gz FQXDUQRZAPUOAF-LBPRGKRZSA-N 1 0 220.316 2.120 10 0 BEAERO COc1ccc(OC)c([C@@H](C)[C@H](C)C[NH3+])c1 ZINC000082362350 175166825 /nfs/dbraw/zinc/16/68/25/175166825.db2.gz AUAZKFMBOCMSFD-ZJUUUORDSA-N 1 0 223.316 2.402 10 0 BEAERO COc1ccc(OC)c(NCCC[NH+](C)C)c1 ZINC000041280524 175167048 /nfs/dbraw/zinc/16/70/48/175167048.db2.gz FNSUDQBGLSZEMW-UHFFFAOYSA-N 1 0 238.331 2.067 10 0 BEAERO COc1ccc(OC)c([C@@H]2CC[NH2+][C@H]2C)c1 ZINC000051954178 175167945 /nfs/dbraw/zinc/16/79/45/175167945.db2.gz GJFVUUUZGGTNBN-GXSJLCMTSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc(OC)c([C@@H]2CSCC[NH2+]2)c1 ZINC000041282382 175168189 /nfs/dbraw/zinc/16/81/89/175168189.db2.gz TZOZVWPGVSQPDD-NSHDSACASA-N 1 0 239.340 2.081 10 0 BEAERO COc1ccc(OC)c2c1CC[NH2+][C@@H]2C1CC1 ZINC000028429929 175170693 /nfs/dbraw/zinc/17/06/93/175170693.db2.gz BUFVEHPXNPTIRG-CQSZACIVSA-N 1 0 233.311 2.301 10 0 BEAERO COc1ccc(OC)c2c1CCCC[C@H]2[NH3+] ZINC000019727445 175170868 /nfs/dbraw/zinc/17/08/68/175170868.db2.gz LXYUWDXJHHKIIZ-SNVBAGLBSA-N 1 0 221.300 2.430 10 0 BEAERO COc1ccc(OCC2CC2)c(C[C@H](C)[NH3+])c1 ZINC000037722730 175171883 /nfs/dbraw/zinc/17/18/83/175171883.db2.gz ZDGLLEWZBWYBOV-JTQLQIEISA-N 1 0 235.327 2.374 10 0 BEAERO COc1ccc(OCC[NH3+])c(C(C)(C)C)c1 ZINC000004227454 175172608 /nfs/dbraw/zinc/17/26/08/175172608.db2.gz CYFDICNNZXMSLE-UHFFFAOYSA-N 1 0 223.316 2.330 10 0 BEAERO COc1ccc(SC[C@@H]2CC[NH2+]C2)cc1 ZINC000051890850 175175415 /nfs/dbraw/zinc/17/54/15/175175415.db2.gz RYQDPOBBDIAMQK-SNVBAGLBSA-N 1 0 223.341 2.397 10 0 BEAERO COc1ccc([C@@H](C[NH3+])N(C)C(C)C)cc1F ZINC000077386335 175178608 /nfs/dbraw/zinc/17/86/08/175178608.db2.gz LRFKJBRKPXUTKM-GFCCVEGCSA-N 1 0 240.322 2.174 10 0 BEAERO COc1ccc([C@@H](N)C[N@H+](C)CC2CC2)cc1 ZINC000037925420 175179985 /nfs/dbraw/zinc/17/99/85/175179985.db2.gz RGWMSZIZSCKGKH-AWEZNQCLSA-N 1 0 234.343 2.037 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2cccnc2)c(OC)c1 ZINC000011832276 175180210 /nfs/dbraw/zinc/18/02/10/175180210.db2.gz MAKKVORGEZJWIL-AWEZNQCLSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccncc2)c(OC)c1 ZINC000011832590 175180321 /nfs/dbraw/zinc/18/03/21/175180321.db2.gz RPCSNYLFYCGIDC-AWEZNQCLSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc([C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000032104765 175180911 /nfs/dbraw/zinc/18/09/11/175180911.db2.gz HVXYFBRURKRMCY-HNNXBMFYSA-N 1 0 249.354 2.461 10 0 BEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000071558538 175181449 /nfs/dbraw/zinc/18/14/49/175181449.db2.gz IZUXSGBNMQJACZ-NWDGAFQWSA-N 1 0 243.734 2.365 10 0 BEAERO COc1ccc([C@@H]([C@H](C)[NH3+])N2CCCC2)cc1 ZINC000042960003 175181627 /nfs/dbraw/zinc/18/16/27/175181627.db2.gz QSBOOVHAANSDJY-SMDDNHRTSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccc([C@@H]([C@H](C)[NH3+])n2ccnc2C)cc1 ZINC000042962255 175182189 /nfs/dbraw/zinc/18/21/89/175182189.db2.gz WFAXUOJDAOAUIG-IINYFYTJSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccc([C@@H]2CCC[C@@H]2[NH3+])c(OC)c1 ZINC000055233097 175182546 /nfs/dbraw/zinc/18/25/46/175182546.db2.gz YMBRJJRMUKALRH-JQWIXIFHSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@@H]2CC[C@@H]([NH3+])C2)cc1F ZINC000070636577 175184023 /nfs/dbraw/zinc/18/40/23/175184023.db2.gz GABLSUYQTOJLEP-PSASIEDQSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc([C@@H]2[C@@H](C[NH3+])C2(C)C)cc1OC ZINC000076682594 175186167 /nfs/dbraw/zinc/18/61/67/175186167.db2.gz FMNKCRMRHBDCKZ-ZWNOBZJWSA-N 1 0 235.327 2.402 10 0 BEAERO COc1ccc([C@@H]2OCCC[NH2+][C@H]2C)cc1 ZINC000035598754 175186332 /nfs/dbraw/zinc/18/63/32/175186332.db2.gz XUIXGBUFDWBHHY-GXFFZTMASA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1O ZINC000289822280 175189047 /nfs/dbraw/zinc/18/90/47/175189047.db2.gz PXHSNUVYICEARC-WCABBAIRSA-N 1 0 221.300 2.460 10 0 BEAERO COc1ccc([C@H](N)C[NH+]2CCC(C)CC2)cc1 ZINC000019821428 175191977 /nfs/dbraw/zinc/19/19/77/175191977.db2.gz LAVYQPVLGRRLNQ-OAHLLOKOSA-N 1 0 248.370 2.427 10 0 BEAERO COc1ccc([C@H]([NH3+])c2ccc[nH]2)cc1 ZINC000011848739 175192802 /nfs/dbraw/zinc/19/28/02/175192802.db2.gz VCESYOUEWJYREN-LBPRGKRZSA-N 1 0 202.257 2.071 10 0 BEAERO COc1ccc([C@H]2C[NH2+]C[C@H](C)O2)cc1C ZINC000071523074 175196621 /nfs/dbraw/zinc/19/66/21/175196621.db2.gz CMJLOXIOSXREED-GXFFZTMASA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1OC ZINC000070586825 175196952 /nfs/dbraw/zinc/19/69/52/175196952.db2.gz MXUAFHLBUPMWPY-GXSJLCMTSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@](C)([NH3+])c2cccnc2)cc1 ZINC000037761483 175199808 /nfs/dbraw/zinc/19/98/08/175199808.db2.gz MPHFTOVJGRGZCA-AWEZNQCLSA-N 1 0 228.295 2.312 10 0 BEAERO COc1ccc2[nH]cc3c2c1C[C@H]([NH+](C)C)C3 ZINC000029465188 175202775 /nfs/dbraw/zinc/20/27/75/175202775.db2.gz ZHSVGDFOQZTIEK-SNVBAGLBSA-N 1 0 230.311 2.205 10 0 BEAERO COc1ccc2[nH]cc(CC(C)(C)[NH3+])c2c1 ZINC000039255288 175202776 /nfs/dbraw/zinc/20/27/76/175202776.db2.gz DLIULDHSVXWYRZ-UHFFFAOYSA-N 1 0 218.300 2.456 10 0 BEAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2C ZINC000071508635 175206881 /nfs/dbraw/zinc/20/68/81/175206881.db2.gz UXERRNWJAJPMEO-SECBINFHSA-N 1 0 203.285 2.391 10 0 BEAERO COc1ccc2c(c1)C1(CCC1)C[NH2+]C2 ZINC000211576858 175207160 /nfs/dbraw/zinc/20/71/60/175207160.db2.gz VGSDIFWDMJPJNJ-UHFFFAOYSA-N 1 0 203.285 2.220 10 0 BEAERO COc1ccc2c(c1)C=C(C[C@@H]1C[NH+]=CN1)CC2 ZINC000013862065 175208131 /nfs/dbraw/zinc/20/81/31/175208131.db2.gz YCIJYNVFOZVYJT-CQSZACIVSA-N 1 0 242.322 2.415 10 0 BEAERO COc1ccc2c(c1)CC[C@]1(CCC[NH2+]1)C2 ZINC000169315957 175209457 /nfs/dbraw/zinc/20/94/57/175209457.db2.gz WURMCWKJGZSFFQ-CQSZACIVSA-N 1 0 217.312 2.306 10 0 BEAERO COc1ccc2c(c1)[C@@H](C1CCOCC1)[NH2+]CC2 ZINC000083695898 175213155 /nfs/dbraw/zinc/21/31/55/175213155.db2.gz UYJPRSISSPDEJP-OAHLLOKOSA-N 1 0 247.338 2.309 10 0 BEAERO COc1ccc2c(c1)[C@H](CC[NH+](C)C)CN2 ZINC000027752647 175215985 /nfs/dbraw/zinc/21/59/85/175215985.db2.gz KLJAXTVFYKOOCM-SNVBAGLBSA-N 1 0 220.316 2.156 10 0 BEAERO COc1ccc2c(c1)nc([C@@H]1CCC[NH2+]1)n2C ZINC000075868331 175219813 /nfs/dbraw/zinc/21/98/13/175219813.db2.gz LZQZRYYGPKQOOI-JTQLQIEISA-N 1 0 231.299 2.006 10 0 BEAERO COc1ccc2c(c1OC)CC[NH2+][C@@H]2C1CC1 ZINC000052095633 175222079 /nfs/dbraw/zinc/22/20/79/175222079.db2.gz KFBGZVKQSZDDLZ-CYBMUJFWSA-N 1 0 233.311 2.301 10 0 BEAERO COc1ccc2cc([C@H](C[NH3+])N(C)C)ccc2c1 ZINC000019255873 175224648 /nfs/dbraw/zinc/22/46/48/175224648.db2.gz LXOUQZLCFHTHHK-HNNXBMFYSA-N 1 0 244.338 2.410 10 0 BEAERO COc1ccc2[nH]c(S[C@@H](C)C[NH3+])nc2c1 ZINC000043514679 175228639 /nfs/dbraw/zinc/22/86/39/175228639.db2.gz RCQXUONOCBTVKS-ZETCQYMHSA-N 1 0 237.328 2.011 10 0 BEAERO COc1ccc2nc([C@@H]([NH3+])C(C)C)oc2c1 ZINC000098096163 175228711 /nfs/dbraw/zinc/22/87/11/175228711.db2.gz DCBJONJZQDMPFK-NSHDSACASA-N 1 0 220.272 2.492 10 0 BEAERO COc1cccc(C(=O)C2([NH3+])CCCC2)c1 ZINC000071521235 175242657 /nfs/dbraw/zinc/24/26/57/175242657.db2.gz QJAHYYBYPRDBSR-UHFFFAOYSA-N 1 0 219.284 2.149 10 0 BEAERO COc1cccc(CCn2ccc(CC[NH3+])c2)c1 ZINC000071559150 175253270 /nfs/dbraw/zinc/25/32/70/175253270.db2.gz JLTXKSICRZQRAC-UHFFFAOYSA-N 1 0 244.338 2.241 10 0 BEAERO COc1cccc(CC[C@@H]2COC[C@H](C)[NH2+]2)c1 ZINC000071545512 175253404 /nfs/dbraw/zinc/25/34/04/175253404.db2.gz DRQQIIYYXXWLIP-WCQYABFASA-N 1 0 235.327 2.005 10 0 BEAERO COc1cccc(CC[C@@H]2CC[NH2+]C2)c1 ZINC000076639825 175253505 /nfs/dbraw/zinc/25/35/05/175253505.db2.gz LTZYQKZBYLYJFG-GFCCVEGCSA-N 1 0 205.301 2.237 10 0 in-vitro BEAERO COc1cccc(CC[C@H]2COC[C@H](C)[NH2+]2)c1 ZINC000071545510 175253971 /nfs/dbraw/zinc/25/39/71/175253971.db2.gz DRQQIIYYXXWLIP-AAEUAGOBSA-N 1 0 235.327 2.005 10 0 BEAERO COc1cccc(CN(C)C[C@]2(C)CC[NH2+]C2)c1 ZINC000062911582 175254668 /nfs/dbraw/zinc/25/46/68/175254668.db2.gz MNKXPHUOHUXXHC-OAHLLOKOSA-N 1 0 248.370 2.127 10 0 BEAERO COc1cccc(C[NH3+])c1OCc1ccccn1 ZINC000035413028 175256530 /nfs/dbraw/zinc/25/65/30/175256530.db2.gz NNEZISVSGYSCGY-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1cccc(C[NH3+])c1OCc1cccnc1 ZINC000035413027 175256858 /nfs/dbraw/zinc/25/68/58/175256858.db2.gz YEVPWYBHLXPYCG-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000077204297 175266251 /nfs/dbraw/zinc/26/62/51/175266251.db2.gz WLYYUJZYDYYCRN-UKRRQHHQSA-N 1 0 249.354 2.336 10 0 BEAERO COc1cccc(COCCCCC(N)=[NH2+])c1 ZINC000049579840 175269633 /nfs/dbraw/zinc/26/96/33/175269633.db2.gz LVWMXRYMTITLEZ-UHFFFAOYSA-N 1 0 236.315 2.318 10 0 BEAERO COc1cccc(COc2ccc(C[NH3+])cn2)c1 ZINC000019426787 175270067 /nfs/dbraw/zinc/27/00/67/175270067.db2.gz YVUZMWSBTBQSLC-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1cccc(C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000022129969 175271499 /nfs/dbraw/zinc/27/14/99/175271499.db2.gz KGYOHEQHPLVXPU-WCQYABFASA-N 1 0 205.301 2.365 10 0 BEAERO COc1cccc(C[C@@H]([NH3+])c2cncc(F)c2)c1 ZINC000049576506 175271809 /nfs/dbraw/zinc/27/18/09/175271809.db2.gz OOUXLRVTNZXLQQ-CQSZACIVSA-N 1 0 246.285 2.472 10 0 BEAERO COc1cccc(N(C)C[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000053872907 175275034 /nfs/dbraw/zinc/27/50/34/175275034.db2.gz RTNWPULDNHLWJG-RISCZKNCSA-N 1 0 234.343 2.259 10 0 BEAERO COc1cccc(N(CCC[NH3+])CC2CC2)c1 ZINC000036765318 175275138 /nfs/dbraw/zinc/27/51/38/175275138.db2.gz HIODOLQUIAPQDP-UHFFFAOYSA-N 1 0 234.343 2.260 10 0 BEAERO COc1cccc(NCC[C@H](C)C[NH3+])c1 ZINC000049814309 175278698 /nfs/dbraw/zinc/27/86/98/175278698.db2.gz BLQDLIQWNBTDMT-JTQLQIEISA-N 1 0 208.305 2.092 10 0 BEAERO COc1cccc(NC[C@@H](C)CC[NH3+])c1 ZINC000049814315 175279508 /nfs/dbraw/zinc/27/95/08/175279508.db2.gz WKVFFKCEBVXQRG-JTQLQIEISA-N 1 0 208.305 2.092 10 0 BEAERO COc1cccc(N[C@H](C[NH3+])c2cccnc2)c1 ZINC000057534194 175279726 /nfs/dbraw/zinc/27/97/26/175279726.db2.gz XAYASXNPOCRCBS-CQSZACIVSA-N 1 0 243.310 2.202 10 0 BEAERO COc1cccc(N[C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000104122324 175279966 /nfs/dbraw/zinc/27/99/66/175279966.db2.gz USMYESIYYMKKDM-MNOVXSKESA-N 1 0 235.331 2.162 10 0 BEAERO COc1cccc(N[C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000104122321 175279997 /nfs/dbraw/zinc/27/99/97/175279997.db2.gz USMYESIYYMKKDM-GHMZBOCLSA-N 1 0 235.331 2.162 10 0 BEAERO COc1cccc(OC)c1OCCC[C@@H](C)[NH3+] ZINC000041282100 175281494 /nfs/dbraw/zinc/28/14/94/175281494.db2.gz YQVCJBSJJYHKLX-SNVBAGLBSA-N 1 0 239.315 2.210 10 0 BEAERO COc1cccc(OC)c1OCCCCC[NH3+] ZINC000041282095 175281657 /nfs/dbraw/zinc/28/16/57/175281657.db2.gz YGHUJAXQUNMQNK-UHFFFAOYSA-N 1 0 239.315 2.212 10 0 BEAERO COc1cccc(OCC(C)(C)C[NH3+])c1OC ZINC000041282124 175283510 /nfs/dbraw/zinc/28/35/10/175283510.db2.gz JAMXJLKPSNKCOQ-UHFFFAOYSA-N 1 0 239.315 2.068 10 0 BEAERO COc1cccc(Oc2ccc(C(N)=[NH2+])cn2)c1 ZINC000019515459 175284662 /nfs/dbraw/zinc/28/46/62/175284662.db2.gz WBFWMEYAEGFARA-UHFFFAOYSA-N 1 0 243.266 2.167 10 0 BEAERO COc1cccc([C@@H](O)[C@H]([NH3+])c2ccccc2)c1 ZINC000054682503 175289839 /nfs/dbraw/zinc/28/98/39/175289839.db2.gz SBACAJZJLBCZAU-HUUCEWRRSA-N 1 0 243.306 2.429 10 0 BEAERO COc1cccc([C@@](O)(C[NH2+]C2CC2)C2CC2)c1 ZINC000049835634 175291782 /nfs/dbraw/zinc/29/17/82/175291782.db2.gz NTCKJRUKLZYBLU-OAHLLOKOSA-N 1 0 247.338 2.045 10 0 BEAERO COc1cccc([C@H](C)N2CCC[NH2+]CC2)c1 ZINC000022100336 175292634 /nfs/dbraw/zinc/29/26/34/175292634.db2.gz AEIWTZOUUDSJGJ-LBPRGKRZSA-N 1 0 234.343 2.052 10 0 BEAERO COc1cccc([C@H](C[NH3+])C(F)(F)F)c1 ZINC000082719062 175293877 /nfs/dbraw/zinc/29/38/77/175293877.db2.gz LIUNIQLWIXSNHF-VIFPVBQESA-N 1 0 219.206 2.300 10 0 BEAERO COc1cccc([C@H]([NH3+])c2ccc[nH]2)c1 ZINC000011848743 175294781 /nfs/dbraw/zinc/29/47/81/175294781.db2.gz DJDHUBHXLRFUJY-LBPRGKRZSA-N 1 0 202.257 2.071 10 0 BEAERO COc1cccc2c1CC[NH2+][C@@H]2C1CC1 ZINC000011598015 175301262 /nfs/dbraw/zinc/30/12/62/175301262.db2.gz MHYKTDZIGKYPBS-CYBMUJFWSA-N 1 0 203.285 2.292 10 0 BEAERO COc1cccc2c1C[C@@H]1CCC[NH2+][C@@H]1C2 ZINC000027416696 175303042 /nfs/dbraw/zinc/30/30/42/175303042.db2.gz XGPVZNWBBGCYKA-WCQYABFASA-N 1 0 217.312 2.162 10 0 BEAERO COc1cccc2c1[C@H]1CCC[NH2+][C@H]1CC2 ZINC000082286338 175305573 /nfs/dbraw/zinc/30/55/73/175305573.db2.gz BTORUPLYSBZCQJ-RYUDHWBXSA-N 1 0 217.312 2.477 10 0 BEAERO COc1cccc2ccc(CCC[NH3+])nc21 ZINC000062572177 175307361 /nfs/dbraw/zinc/30/73/61/175307361.db2.gz ROIVWNILHSOGRG-UHFFFAOYSA-N 1 0 216.284 2.135 10 0 BEAERO COc1ccccc1-c1c[nH]c([C@@H](C)[NH3+])n1 ZINC000036872266 175310298 /nfs/dbraw/zinc/31/02/98/175310298.db2.gz SZGDWXYBPODKLJ-MRVPVSSYSA-N 1 0 217.272 2.105 10 0 BEAERO COc1ccccc1-n1ncc([C@H](C)[NH3+])c1C ZINC000062605861 175313196 /nfs/dbraw/zinc/31/31/96/175313196.db2.gz JRHXNKSPGPDSHC-VIFPVBQESA-N 1 0 231.299 2.209 10 0 BEAERO COc1ccccc1CC(=[NH2+])N1CCCC1 ZINC000002576298 175320368 /nfs/dbraw/zinc/32/03/68/175320368.db2.gz URBIZGHUUJHILG-UHFFFAOYSA-N 1 0 218.300 2.311 10 0 BEAERO COc1ccccc1C[N@H+](C)C[C@@H]1CCCC1=O ZINC000053929408 175324946 /nfs/dbraw/zinc/32/49/46/175324946.db2.gz UKOXRJVYOBCAKO-LBPRGKRZSA-N 1 0 247.338 2.496 10 0 BEAERO COc1ccccc1C[N@H+](C[C@H](C)O)C(C)C ZINC000036102853 175325639 /nfs/dbraw/zinc/32/56/39/175325639.db2.gz YCIREIJVARIFSF-LBPRGKRZSA-N 1 0 237.343 2.286 10 0 BEAERO COc1ccccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000049801466 175325937 /nfs/dbraw/zinc/32/59/37/175325937.db2.gz PKBBTFXERYDXMT-CQSZACIVSA-N 1 0 249.354 2.432 10 0 BEAERO COc1ccccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762113 175326996 /nfs/dbraw/zinc/32/69/96/175326996.db2.gz HCQNDWNFTYKVDQ-CQSZACIVSA-N 1 0 249.354 2.432 10 0 BEAERO COc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000019918482 175329256 /nfs/dbraw/zinc/32/92/56/175329256.db2.gz VWRBHGMSRRZIMI-UHFFFAOYSA-N 1 0 235.327 2.088 10 0 BEAERO COc1ccccc1C[C@H]([NH3+])c1cncc(F)c1 ZINC000049576497 175333912 /nfs/dbraw/zinc/33/39/12/175333912.db2.gz QBUQDJQSGLERNN-ZDUSSCGKSA-N 1 0 246.285 2.472 10 0 BEAERO COc1ccccc1NCC[C@@H](C)C[NH3+] ZINC000049814308 175337637 /nfs/dbraw/zinc/33/76/37/175337637.db2.gz MSJMKRMKLLLNMO-SNVBAGLBSA-N 1 0 208.305 2.092 10 0 BEAERO COc1ccccc1OC1CCC([NH3+])CC1 ZINC000055144010 175340489 /nfs/dbraw/zinc/34/04/89/175340489.db2.gz YKAQVGHPRGMLCI-UHFFFAOYSA-N 1 0 221.300 2.344 10 0 BEAERO COc1ccccc1OC[C@@H]1CCCC[NH2+]1 ZINC000019486835 175341292 /nfs/dbraw/zinc/34/12/92/175341292.db2.gz ZTKFIAAHYJKIQJ-NSHDSACASA-N 1 0 221.300 2.216 10 0 BEAERO COc1ccccc1OC[C@H](C)CC[NH3+] ZINC000076584700 175341394 /nfs/dbraw/zinc/34/13/94/175341394.db2.gz VZEXWQFJXRPSJQ-SNVBAGLBSA-N 1 0 209.289 2.059 10 0 BEAERO COc1ccccc1OC[C@@H]([NH3+])C(C)(C)C ZINC000022566100 175341732 /nfs/dbraw/zinc/34/17/32/175341732.db2.gz VHHAUNBWOSHCPS-GFCCVEGCSA-N 1 0 223.316 2.447 10 0 BEAERO COc1ccccc1O[C@@H]1CCCC[C@H]1[NH3+] ZINC000019282972 175342746 /nfs/dbraw/zinc/34/27/46/175342746.db2.gz SQFBVLYRYFOYKG-GHMZBOCLSA-N 1 0 221.300 2.344 10 0 BEAERO COc1ccccc1[C@@H](N)C[N@@H+]1CCC[C@H](C)C1 ZINC000036878858 175347104 /nfs/dbraw/zinc/34/71/04/175347104.db2.gz UTBJSFFCQBRZOO-JSGCOSHPSA-N 1 0 248.370 2.427 10 0 BEAERO COc1ccccc1[C@@H](OCC[NH3+])C1CC1 ZINC000071523119 175347123 /nfs/dbraw/zinc/34/71/23/175347123.db2.gz WHYIKZJCVKDDKN-ZDUSSCGKSA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccccc1[C@@H](N)C[N@H+](C)CC(C)C ZINC000037108346 175347401 /nfs/dbraw/zinc/34/74/01/175347401.db2.gz FSSKDXJMNXOQOU-ZDUSSCGKSA-N 1 0 236.359 2.283 10 0 BEAERO COc1ccccc1[C@@H](N)C[N@H+](C)[C@@H](C)C1CC1 ZINC000036785242 175347891 /nfs/dbraw/zinc/34/78/91/175347891.db2.gz IHWYLLROIQHUDN-FZMZJTMJSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1C(C)C ZINC000077369926 175348514 /nfs/dbraw/zinc/34/85/14/175348514.db2.gz ZKWFBHXEHCYSET-ZDUSSCGKSA-N 1 0 234.343 2.050 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000131734364 175352041 /nfs/dbraw/zinc/35/20/41/175352041.db2.gz QSFCUCNEKRQPNN-SRVKXCTJSA-N 1 0 237.343 2.363 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)C[C@H]1C[C@H]1C ZINC000111765790 175353030 /nfs/dbraw/zinc/35/30/30/175353030.db2.gz LMCYWDHXBDCWLA-BZPMIXESSA-N 1 0 248.370 2.283 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)CC1CC1 ZINC000020225781 175353249 /nfs/dbraw/zinc/35/32/49/175353249.db2.gz MYJYRISYEWYOTQ-ZDUSSCGKSA-N 1 0 234.343 2.037 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)CC(C)C ZINC000020225779 175353286 /nfs/dbraw/zinc/35/32/86/175353286.db2.gz VLNQZHKYQWABKS-ZDUSSCGKSA-N 1 0 236.359 2.283 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)[C@H](C)C1CC1 ZINC000036783336 175353466 /nfs/dbraw/zinc/35/34/66/175353466.db2.gz RJGFVKPZARZQMG-RISCZKNCSA-N 1 0 248.370 2.425 10 0 BEAERO CSCc1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000054493859 175534326 /nfs/dbraw/zinc/53/43/26/175534326.db2.gz WBLMXNXHXYDOPJ-UHFFFAOYSA-N 1 0 235.312 2.058 10 0 BEAERO C[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])CC(C)(C)C ZINC000104318127 175640858 /nfs/dbraw/zinc/64/08/58/175640858.db2.gz FPUKGWVLRKPIBN-RYUDHWBXSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@@H](CC1CC1)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000070103838 175655822 /nfs/dbraw/zinc/65/58/22/175655822.db2.gz PUDPLDRUBZHFDW-NHYWBVRUSA-N 1 0 246.354 2.165 10 0 BEAERO C[C@@H](CC1CC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000070534036 175655971 /nfs/dbraw/zinc/65/59/71/175655971.db2.gz UKGAUJZPCIUHEI-JTQLQIEISA-N 1 0 232.327 2.064 10 0 BEAERO C[C@@H](C[NH+](C)C)C(=O)c1ccc(F)cc1 ZINC000049814531 175695625 /nfs/dbraw/zinc/69/56/25/175695625.db2.gz SRKRSCMXPYMZCR-VIFPVBQESA-N 1 0 209.264 2.206 10 0 BEAERO C[C@@H](C[NH3+])C(=O)Nc1cccc2ccccc21 ZINC000044797440 175706382 /nfs/dbraw/zinc/70/63/82/175706382.db2.gz HWPGTOBUXCSHIC-JTQLQIEISA-N 1 0 228.295 2.373 10 0 BEAERO C[C@@H](C[NH3+])CC(=O)Nc1ccc(Cl)cc1 ZINC000076612488 175706580 /nfs/dbraw/zinc/70/65/80/175706580.db2.gz VCAFZYLFRPOESW-MRVPVSSYSA-N 1 0 226.707 2.263 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2cccc(Cl)c2)n1 ZINC000054158709 175713698 /nfs/dbraw/zinc/71/36/98/175713698.db2.gz XHXXBEIPEUALCL-ZETCQYMHSA-N 1 0 237.690 2.452 10 0 BEAERO C[C@@H](C[C@@H]([NH2+]CC1CC1)C(N)=O)c1ccccc1 ZINC000043535521 175766319 /nfs/dbraw/zinc/76/63/19/175766319.db2.gz QCZGNTLJDFQHQH-SMDDNHRTSA-N 1 0 246.354 2.034 10 0 BEAERO C[C@@H]([NH3+])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096894303 175806561 /nfs/dbraw/zinc/80/65/61/175806561.db2.gz CZFRWVSGOHJHGD-GHMZBOCLSA-N 1 0 242.363 2.371 10 0 BEAERO C[C@@H]([NH3+])Cc1ccccc1N1CCCO[C@H](C)C1 ZINC000104265602 175806928 /nfs/dbraw/zinc/80/69/28/175806928.db2.gz GEICGSOYOHGLEM-CHWSQXEVSA-N 1 0 248.370 2.192 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccn1 ZINC000232685353 487631922 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/nfs/dbraw/zinc/01/23/53/176012353.db2.gz PIMCYCLINGXPQD-JOYOIKCWSA-N 1 0 231.299 2.359 10 0 BEAERO C[C@@H](c1ccc(Cl)s1)N1CC[C@H]([NH3+])C1=O ZINC000049649063 176014361 /nfs/dbraw/zinc/01/43/61/176014361.db2.gz ADKXGVQTJWMXLM-BQBZGAKWSA-N 1 0 244.747 2.022 10 0 BEAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)C1CCN(C)CC1 ZINC000042288412 176014998 /nfs/dbraw/zinc/01/49/98/176014998.db2.gz YHVADVXWNVVMHP-LBPRGKRZSA-N 1 0 247.386 2.356 10 0 BEAERO C[C@@H](c1cccc(N)c1)[NH+]1CCSCC1 ZINC000040908096 176017936 /nfs/dbraw/zinc/01/79/36/176017936.db2.gz MDLLDXVAINOCJW-JTQLQIEISA-N 1 0 222.357 2.379 10 0 BEAERO C[C@@H](c1ccccc1)N1CC[NH2+]CC1(C)C ZINC000062608998 176022069 /nfs/dbraw/zinc/02/20/69/176022069.db2.gz UVFVBCRRSVPGIZ-LBPRGKRZSA-N 1 0 218.344 2.431 10 0 BEAERO C[C@@H](c1ccccc1)[n+]1nn(C)c2ccccc21 ZINC000005368882 176024096 /nfs/dbraw/zinc/02/40/96/176024096.db2.gz UJHOVCNREXNLGK-LBPRGKRZSA-N 1 0 238.314 2.470 10 0 BEAERO C[C@@H](c1cccnc1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601999 176030475 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ZINC000094646991 176087487 /nfs/dbraw/zinc/08/74/87/176087487.db2.gz YIQDARVVVKSFQO-FDYHWXHSSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(N)=O ZINC000020052796 176088246 /nfs/dbraw/zinc/08/82/46/176088246.db2.gz LDHSYTYDTXQCNQ-BXUZGUMPSA-N 1 0 246.354 2.454 10 0 BEAERO C[C@@H]1CCCC[C@]1([NH3+])C(=O)OC1CCCC1 ZINC000041038376 176089974 /nfs/dbraw/zinc/08/99/74/176089974.db2.gz VULPFLCAHVPPSV-ZWNOBZJWSA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1CCCC[C@H]1Oc1ccnc(C[NH3+])c1 ZINC000051524784 176090554 /nfs/dbraw/zinc/09/05/54/176090554.db2.gz RBMSLZATAMUSSX-ZWNOBZJWSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055122593 176091784 /nfs/dbraw/zinc/09/17/84/176091784.db2.gz LSISHRKOXMANOR-UPJWGTAASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[NH2+]2)[C@@H]1C ZINC000050566563 176092394 /nfs/dbraw/zinc/09/23/94/176092394.db2.gz ICCKPQURTJKFSC-UPJWGTAASA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CCC[N@H+](CC2(CO)CCCC2)C1 ZINC000049815051 176096115 /nfs/dbraw/zinc/09/61/15/176096115.db2.gz RKBLYSAHONZACW-GFCCVEGCSA-N 1 0 211.349 2.271 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2N)C1 ZINC000022565501 176103085 /nfs/dbraw/zinc/10/30/85/176103085.db2.gz GXJJLPXSGBPRLS-DFBGVHRSSA-N 1 0 230.355 2.343 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@H](CN)Cc2ccccc2)C1 ZINC000036874651 176103131 /nfs/dbraw/zinc/10/31/31/176103131.db2.gz VIWDYINCGBDMID-HIFRSBDPSA-N 1 0 232.371 2.288 10 0 BEAERO C[C@@H]1CCC[N@@H+]1CCc1ccccc1N ZINC000052918411 176108115 /nfs/dbraw/zinc/10/81/15/176108115.db2.gz TWGNBQVWFOSPNS-LLVKDONJSA-N 1 0 204.317 2.296 10 0 BEAERO C[C@@H]1CCC[N@@H+]1CCc1nc2cc(N)ccc2[nH]1 ZINC000037909997 176108938 /nfs/dbraw/zinc/10/89/38/176108938.db2.gz BVJLTWRCBHISCA-SNVBAGLBSA-N 1 0 244.342 2.172 10 0 BEAERO C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1N ZINC000037909703 176109224 /nfs/dbraw/zinc/10/92/24/176109224.db2.gz UWYKUCIPHFIDFB-LLVKDONJSA-N 1 0 247.342 2.082 10 0 BEAERO C[C@@H]1CCC[N@@H+]1[C@@H](CN)c1ccccc1 ZINC000037910327 176109804 /nfs/dbraw/zinc/10/98/04/176109804.db2.gz KTGLRXNWBQJSFU-YPMHNXCESA-N 1 0 204.317 2.171 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCCCC2)[NH2+]1 ZINC000019514189 176112380 /nfs/dbraw/zinc/11/23/80/176112380.db2.gz IDLATLGKYILAAP-YPMHNXCESA-N 1 0 238.375 2.308 10 0 BEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)Nc1ccccc1 ZINC000051791922 176112774 /nfs/dbraw/zinc/11/27/74/176112774.db2.gz WOSWUXGBZWFEER-ZYHUDNBSSA-N 1 0 218.300 2.013 10 0 BEAERO C[C@@H]1CCC[C@@H](C[NH2+]CCCn2ccnn2)C1 ZINC000126489546 176118778 /nfs/dbraw/zinc/11/87/78/176118778.db2.gz YFUWPEREYWYXSJ-CHWSQXEVSA-N 1 0 236.363 2.084 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)C1CCCC1 ZINC000055126374 176120881 /nfs/dbraw/zinc/12/08/81/176120881.db2.gz NBGTXACTZCPHML-RAIGVLPGSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647214 176121852 /nfs/dbraw/zinc/12/18/52/176121852.db2.gz GFXULQKJPHUHQJ-FDYHWXHSSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)OC2CCCC2)C1 ZINC000041036822 176133931 /nfs/dbraw/zinc/13/39/31/176133931.db2.gz MAGCLUOVIYWTAD-MFKMUULPSA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1CCC[C@@](C[NH3+])(OC2CCOCC2)C1 ZINC000050503971 176134011 /nfs/dbraw/zinc/13/40/11/176134011.db2.gz STSXDYPSPFZNIE-DGCLKSJQSA-N 1 0 227.348 2.090 10 0 BEAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2ccc[nH]2)C1 ZINC000053117227 176134025 /nfs/dbraw/zinc/13/40/25/176134025.db2.gz TUMFQWIZEAPWBF-DGCLKSJQSA-N 1 0 222.332 2.046 10 0 BEAERO C[C@@H]1CCC[C@@]([NH2+]Cc2ccccc2)(C(N)=O)C1 ZINC000037941238 176134183 /nfs/dbraw/zinc/13/41/83/176134183.db2.gz XGDBVUADWFMIDR-DOMZBBRYSA-N 1 0 246.354 2.210 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)N(C)Cc2ccccc2)[NH2+]1 ZINC000019479802 176134437 /nfs/dbraw/zinc/13/44/37/176134437.db2.gz ULIPTJZIMZIANI-TZMCWYRMSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2)[NH2+]1 ZINC000019518965 176136075 /nfs/dbraw/zinc/13/60/75/176136075.db2.gz KCCYVMHRXKHSFG-ZYHUDNBSSA-N 1 0 218.300 2.156 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2F)[NH2+]1 ZINC000019509173 176136278 /nfs/dbraw/zinc/13/62/78/176136278.db2.gz NPZYWUWVHUZOLS-BXKDBHETSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+]CCCn2ccnn2)C1 ZINC000126489113 176138405 /nfs/dbraw/zinc/13/84/05/176138405.db2.gz YFUWPEREYWYXSJ-OLZOCXBDSA-N 1 0 236.363 2.084 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2O)C1 ZINC000128188096 176139564 /nfs/dbraw/zinc/13/95/64/176139564.db2.gz BTPVRWDEBJTGCT-XQHKEYJVSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCC[C@H]([N@H+](C)C2CC[NH2+]CC2)C1 ZINC000042493388 176140661 /nfs/dbraw/zinc/14/06/61/176140661.db2.gz ABOAHFDVBCZSAG-YPMHNXCESA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CN3CCC2CC3)C1 ZINC000019946240 176145396 /nfs/dbraw/zinc/14/53/96/176145396.db2.gz QKXDVYJIQBTSKB-KWCYVHTRSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@H]1CCC[C@H](Oc2cccc(C[NH3+])n2)C1 ZINC000051542214 176145990 /nfs/dbraw/zinc/14/59/90/176145990.db2.gz ALZZHSAXWVSHEJ-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@H](c2nccc(C[NH3+])n2)C1 ZINC000054791063 176146521 /nfs/dbraw/zinc/14/65/21/176146521.db2.gz MJOUPGHWWBAVRX-ZJUUUORDSA-N 1 0 205.305 2.229 10 0 BEAERO C[C@@H]1CCC[C@H](c2ncc(C[NH3+])cn2)C1 ZINC000054855302 176146768 /nfs/dbraw/zinc/14/67/68/176146768.db2.gz IRMNLMIQENOPMT-KOLCDFICSA-N 1 0 205.305 2.229 10 0 BEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2ccccn2)C1 ZINC000036777280 176151617 /nfs/dbraw/zinc/15/16/17/176151617.db2.gz DGHICEPDLNFVCI-HIFRSBDPSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2cccnc2)C1 ZINC000036771019 176151728 /nfs/dbraw/zinc/15/17/28/176151728.db2.gz HLWLDTCGRVYMLR-HIFRSBDPSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CC[N@H+](CCC2(O)CC2)C[C@@H](C)C1 ZINC000336561205 176168522 /nfs/dbraw/zinc/16/85/22/176168522.db2.gz CUSRLDYKDPQMFX-NEPJUHHUSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1CCN(Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661668 176173237 /nfs/dbraw/zinc/17/32/37/176173237.db2.gz QRXGDAOZZCOWMD-LLVKDONJSA-N 1 0 222.307 2.010 10 0 BEAERO C[C@@H]1CCN(Cc2cc(F)ccc2F)CC[NH2+]1 ZINC000104276900 176173507 /nfs/dbraw/zinc/17/35/07/176173507.db2.gz LUUMXLJBJNCIMP-SNVBAGLBSA-N 1 0 240.297 2.149 10 0 BEAERO C[C@@H]1CCN(Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000235331219 176173588 /nfs/dbraw/zinc/17/35/88/176173588.db2.gz GWTNWVVODVGPJG-BXUZGUMPSA-N 1 0 236.334 2.385 10 0 BEAERO C[C@@H]1CCN(Cc2ccccc2)C[C@H]([NH3+])C1 ZINC000038587391 176175724 /nfs/dbraw/zinc/17/57/24/176175724.db2.gz BXJFSICAWIZSFJ-TZMCWYRMSA-N 1 0 218.344 2.246 10 0 BEAERO C[C@@H]1CCN(c2cccc(F)c2)CC[NH2+]1 ZINC000049660734 176181293 /nfs/dbraw/zinc/18/12/93/176181293.db2.gz USJFOHALQBIUHL-SNVBAGLBSA-N 1 0 208.280 2.014 10 0 BEAERO C[C@@H]1CCN(c2ccccc2F)CCC[NH2+]1 ZINC000049664565 176181596 /nfs/dbraw/zinc/18/15/96/176181596.db2.gz RGAMDKQNRAVBCQ-LLVKDONJSA-N 1 0 222.307 2.404 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncc(Cl)cc1F ZINC000335657209 176185141 /nfs/dbraw/zinc/18/51/41/176185141.db2.gz OIXLFBVYFHDXLP-XCBNKYQSSA-N 1 0 243.713 2.284 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncccc1Cl ZINC000335655352 176186027 /nfs/dbraw/zinc/18/60/27/176186027.db2.gz ATIMKQPSOVMSDV-PSASIEDQSA-N 1 0 225.723 2.145 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2)C[NH2+]1 ZINC000019802776 176196449 /nfs/dbraw/zinc/19/64/49/176196449.db2.gz WHAXYXURPMGGSF-NXEZZACHSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCc1ccccc1 ZINC000042427370 176202525 /nfs/dbraw/zinc/20/25/25/176202525.db2.gz SHIOOIDCYVGEGV-HIFRSBDPSA-N 1 0 232.371 2.288 10 0 BEAERO C[C@@H]1CC[C@@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000294018883 176210265 /nfs/dbraw/zinc/21/02/65/176210265.db2.gz HFCZIAJOQQASIY-ZYHUDNBSSA-N 1 0 232.327 2.334 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)N(C)CC(C)(C)C)C[C@@H]1[NH3+] ZINC000055140748 176219328 /nfs/dbraw/zinc/21/93/28/176219328.db2.gz AVOKLOKYADMRQM-WOPDTQHZSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])CN1CCc1ccccc1 ZINC000040740163 176228842 /nfs/dbraw/zinc/22/88/42/176228842.db2.gz MVOVJUUIDPNHMW-OCCSQVGLSA-N 1 0 218.344 2.041 10 0 BEAERO C[C@@H]1CC[C@H](c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000077366174 176235699 /nfs/dbraw/zinc/23/56/99/176235699.db2.gz XAANZIRVRQHCJE-PWSUYJOCSA-N 1 0 233.311 2.313 10 0 BEAERO C[C@@H]1C[NH+](CC(=O)c2ccccc2)C[C@H]1C ZINC000039109879 176284126 /nfs/dbraw/zinc/28/41/26/176284126.db2.gz GRSOHFFQZNBUTE-VXGBXAGGSA-N 1 0 217.312 2.457 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCCC2=O)CC(C)(C)O1 ZINC000060720374 176297309 /nfs/dbraw/zinc/29/73/09/176297309.db2.gz BTPSNZFDHYZVSS-NEPJUHHUSA-N 1 0 239.359 2.245 10 0 BEAERO C[C@@H]1CN(c2cc(F)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000061094241 176318890 /nfs/dbraw/zinc/31/88/90/176318890.db2.gz DKUPTXNOGGTQCZ-HQJQHLMTSA-N 1 0 244.260 2.277 10 0 BEAERO C[C@@H]1CN(c2ccc(Cl)cc2)[NH+]=C1N ZINC000034592821 176318969 /nfs/dbraw/zinc/31/89/69/176318969.db2.gz DKGDVRCBCBXYMF-SSDOTTSWSA-N 1 0 209.680 2.068 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(c2ccc(F)cc2F)C1 ZINC000049664617 176323944 /nfs/dbraw/zinc/32/39/44/176323944.db2.gz CJINPVSPRVWUPA-SNVBAGLBSA-N 1 0 240.297 2.401 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@@H](C)S1)c1ccco1 ZINC000035739656 176324161 /nfs/dbraw/zinc/32/41/61/176324161.db2.gz YCWMCJFUFYANFM-HTQZYQBOSA-N 1 0 210.302 2.422 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(Cc2cccc(F)c2)C1 ZINC000049665716 176324537 /nfs/dbraw/zinc/32/45/37/176324537.db2.gz NVQNKLBIYKTEBS-GFCCVEGCSA-N 1 0 236.334 2.257 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(c2ccccc2F)C1 ZINC000049664584 176324841 /nfs/dbraw/zinc/32/48/41/176324841.db2.gz GLLLIFFOTFJKET-LLVKDONJSA-N 1 0 222.307 2.262 10 0 BEAERO C[C@@H]1CNCC[N@@H+](C2CCCCCC2)C1 ZINC000049661872 176325110 /nfs/dbraw/zinc/32/51/10/176325110.db2.gz CGPDYGZXPLLVNW-GFCCVEGCSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nnc(C2CCCCC2)[nH]1 ZINC000104211211 176328629 /nfs/dbraw/zinc/32/86/29/176328629.db2.gz ABVMFGAMMKOXRE-KOLCDFICSA-N 1 0 234.347 2.175 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000083101798 176329021 /nfs/dbraw/zinc/32/90/21/176329021.db2.gz TXUHHDWJFTYALO-JQWIXIFHSA-N 1 0 233.311 2.171 10 0 BEAERO C[C@@H]1CSC(NCc2cccs2)=[NH+]1 ZINC000035295321 176349402 /nfs/dbraw/zinc/34/94/02/176349402.db2.gz FUGXAVPWEKWVFR-SSDOTTSWSA-N 1 0 212.343 2.329 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccccc2)[C@@H]1C ZINC000068593184 176371190 /nfs/dbraw/zinc/37/11/90/176371190.db2.gz NVIRYIHNKWLTFW-YRGRVCCFSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)N(C)C ZINC000036794197 176377607 /nfs/dbraw/zinc/37/76/07/176377607.db2.gz BIWNYDKDKDHDPT-GRYCIOLGSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1COc2ccccc21 ZINC000336769545 176397992 /nfs/dbraw/zinc/39/79/92/176397992.db2.gz VSMOEONOHQICJE-CKYFFXLPSA-N 1 0 203.285 2.366 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)CCCO1 ZINC000383509759 487633816 /nfs/dbraw/zinc/63/38/16/487633816.db2.gz KYCLHGKQHXOKRV-MELADBBJSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000052287796 176403893 /nfs/dbraw/zinc/40/38/93/176403893.db2.gz UFUQKNCLTVSVDB-KCJUWKMLSA-N 1 0 238.718 2.277 10 0 BEAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000296362397 176504423 /nfs/dbraw/zinc/50/44/23/176504423.db2.gz SDNKOESZKPFRRE-UXIGCNINSA-N 1 0 231.339 2.172 10 0 BEAERO C[C@@]([NH3+])(CCO)c1ccc(F)c(Cl)c1 ZINC000082536337 176511700 /nfs/dbraw/zinc/51/17/00/176511700.db2.gz FRUQBASQIHKMNG-SNVBAGLBSA-N 1 0 217.671 2.035 10 0 BEAERO C[C@@](O)(C[NH3+])c1ccc(Cl)cc1Cl ZINC000055032621 176516612 /nfs/dbraw/zinc/51/66/12/176516612.db2.gz UMWHFQTUKCKDSH-SECBINFHSA-N 1 0 220.099 2.160 10 0 BEAERO C[C@@]12C[C@H]3C[C@@H](c4ccc(O)cc41)[C@@H](C2)[NH2+]3 ZINC000169338125 176550862 /nfs/dbraw/zinc/55/08/62/176550862.db2.gz YMLNNUOOKXDDIS-VAYSNVFOSA-N 1 0 215.296 2.271 10 0 BEAERO C[C@H](CCC[NH3+])N1CCc2ccccc21 ZINC000052420311 176620228 /nfs/dbraw/zinc/62/02/28/176620228.db2.gz VBRSIKFSOBJISM-LLVKDONJSA-N 1 0 204.317 2.177 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ccc(OC(F)F)cn1 ZINC000327998399 176621051 /nfs/dbraw/zinc/62/10/51/176621051.db2.gz HUISFTGTWAXKNS-MRVPVSSYSA-N 1 0 245.273 2.222 10 0 BEAERO C[C@H](CC[NH3+])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000076628236 176625888 /nfs/dbraw/zinc/62/58/88/176625888.db2.gz XRNUDMYTQWAHIN-SSDOTTSWSA-N 1 0 244.697 2.403 10 0 BEAERO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309599096 176639343 /nfs/dbraw/zinc/63/93/43/176639343.db2.gz XDEHWCNQUQWVAF-JBBSTSQOSA-N 1 0 249.395 2.261 10 0 BEAERO C[C@H](C[NH3+])Cc1cccc2cccnc21 ZINC000082779694 176659718 /nfs/dbraw/zinc/65/97/18/176659718.db2.gz OFEWVEJWQSHPOT-JTQLQIEISA-N 1 0 200.285 2.372 10 0 BEAERO C[C@H](C[NH3+])NC(=O)C1CCC(C(C)(C)C)CC1 ZINC000104218658 176660784 /nfs/dbraw/zinc/66/07/84/176660784.db2.gz JSRHHLAHNSSJGT-VOMCLLRMSA-N 1 0 240.391 2.302 10 0 BEAERO C[C@H](C[NH3+])Sc1ncnc2ccccc21 ZINC000043514742 176661837 /nfs/dbraw/zinc/66/18/37/176661837.db2.gz CSCSGNPFQDXEKJ-MRVPVSSYSA-N 1 0 219.313 2.069 10 0 BEAERO C[C@H](C[NH+]1CCCC1)Nc1ccc(F)cn1 ZINC000049184099 176664683 /nfs/dbraw/zinc/66/46/83/176664683.db2.gz PBCMYYSEBYTIMR-SNVBAGLBSA-N 1 0 223.295 2.117 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H](C)CO ZINC000131715041 176711116 /nfs/dbraw/zinc/71/11/16/176711116.db2.gz WTNNYLBOEBZZPS-LALPHHSUSA-N 1 0 233.355 2.150 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000130584568 176722458 /nfs/dbraw/zinc/72/24/58/176722458.db2.gz WGNPRVUZGATJCW-ZLDLUXBVSA-N 1 0 249.354 2.074 10 0 BEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000038092919 176756853 /nfs/dbraw/zinc/75/68/53/176756853.db2.gz LLJGTTDSIHZYQO-DTWKUNHWSA-N 1 0 240.734 2.255 10 0 BEAERO C[C@H]([NH3+])Cc1ccnc(-c2ccc(F)c(F)c2)n1 ZINC000054834429 176762478 /nfs/dbraw/zinc/76/24/78/176762478.db2.gz UWZBPDDESGFYQQ-QMMMGPOBSA-N 1 0 249.264 2.312 10 0 BEAERO C[C@H]([NH3+])Cc1noc(C2CCCCC2)n1 ZINC000054161351 176763588 /nfs/dbraw/zinc/76/35/88/176763588.db2.gz ZNAFENWBIWHLJR-QMMMGPOBSA-N 1 0 209.293 2.007 10 0 BEAERO C[C@H]([NH3+])[C@H](c1ccccc1)N1CCOCC1(C)C ZINC000042902015 176771163 /nfs/dbraw/zinc/77/11/63/176771163.db2.gz BKGYSUZZRCANIE-GXTWGEPZSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@H]([NH3+])c1cccc(NC(=O)CC2CC2)c1 ZINC000049728872 176777439 /nfs/dbraw/zinc/77/74/39/176777439.db2.gz JERKPSPNAWXKBH-VIFPVBQESA-N 1 0 218.300 2.445 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCCO1 ZINC000308888015 176893832 /nfs/dbraw/zinc/89/38/32/176893832.db2.gz WKOYQWGZDWSJEA-SDDRHHMPSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CCCO1 ZINC000336768055 176902747 /nfs/dbraw/zinc/90/27/47/176902747.db2.gz UGSCRRNKGHHHKW-WKSBVSIWSA-N 1 0 209.333 2.332 10 0 BEAERO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCF ZINC000309060374 177001104 /nfs/dbraw/zinc/00/11/04/177001104.db2.gz WDUBZPNCTXYKJU-BJDJZHNGSA-N 1 0 217.328 2.264 10 0 BEAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000162761369 177009867 /nfs/dbraw/zinc/00/98/67/177009867.db2.gz CBMHGFHXKRXJIT-YUTCNCBUSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@H](O)c1cc(Cl)ccc1OCC[NH+](C)C ZINC000041289599 177016558 /nfs/dbraw/zinc/01/65/58/177016558.db2.gz VNVPAMGZIZOEMB-VIFPVBQESA-N 1 0 243.734 2.334 10 0 BEAERO C[C@H](O)c1ccc(OCCC[NH+](C)C)cc1 ZINC000041243185 177017170 /nfs/dbraw/zinc/01/71/70/177017170.db2.gz URUCCBWSDZVJSZ-NSHDSACASA-N 1 0 223.316 2.070 10 0 BEAERO C[C@H](O)c1ccccc1OCCC[NH+](C)C ZINC000041243197 177017952 /nfs/dbraw/zinc/01/79/52/177017952.db2.gz XCYCIXTWDDHRHB-NSHDSACASA-N 1 0 223.316 2.070 10 0 BEAERO C[C@H](O)c1ccccc1N(C)CC[NH+]1CCCC1 ZINC000063052340 177018240 /nfs/dbraw/zinc/01/82/40/177018240.db2.gz XZUVGYAPJNROPY-ZDUSSCGKSA-N 1 0 248.370 2.272 10 0 BEAERO C[C@H](OCC[NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000053554498 177021214 /nfs/dbraw/zinc/02/12/14/177021214.db2.gz ALCWMBVVILXQHD-UONOGXRCSA-N 1 0 249.354 2.390 10 0 BEAERO C[C@H](c1ccc(N)cc1)[NH+]1CCSCC1 ZINC000040908761 177035414 /nfs/dbraw/zinc/03/54/14/177035414.db2.gz DIKOMBGMUWMJQU-SNVBAGLBSA-N 1 0 222.357 2.379 10 0 BEAERO C[C@H](c1ccc2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000079902921 177035945 /nfs/dbraw/zinc/03/59/45/177035945.db2.gz PUHUMLDHCOHCNK-PWSUYJOCSA-N 1 0 233.311 2.171 10 0 BEAERO C[C@H](c1ccccn1)n1c(N)[nH+]c2ccccc21 ZINC000035695302 177044050 /nfs/dbraw/zinc/04/40/50/177044050.db2.gz PXFXCLMTMYBVRF-SNVBAGLBSA-N 1 0 238.294 2.453 10 0 BEAERO C[C@H](c1cccs1)N(C)C(=O)C(C)(C)[NH3+] ZINC000040923975 177049382 /nfs/dbraw/zinc/04/93/82/177049382.db2.gz DYJRSFIGACKGCH-MRVPVSSYSA-N 1 0 226.345 2.005 10 0 BEAERO C[C@H]1CC(C)(C)C[C@](CN)([NH2+]C2CC2)C1 ZINC000050271075 177063637 /nfs/dbraw/zinc/06/36/37/177063637.db2.gz ZFEMCQQENHKGCO-GXFFZTMASA-N 1 0 210.365 2.282 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H](C)CCC2=O)C[C@H](C)O1 ZINC000053925115 177068883 /nfs/dbraw/zinc/06/88/83/177068883.db2.gz OEZTUDVIXGAWGE-RVMXOQNASA-N 1 0 239.359 2.101 10 0 BEAERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccncn1 ZINC000054789832 177080232 /nfs/dbraw/zinc/08/02/32/177080232.db2.gz IGJLTZGUMUGVDG-NWDGAFQWSA-N 1 0 219.332 2.393 10 0 BEAERO C[C@H]1CCCC[C@@H]1N(C)c1ncccc1C(N)=[NH2+] ZINC000042607912 177081847 /nfs/dbraw/zinc/08/18/47/177081847.db2.gz YTUIMNOWSLSASU-JQWIXIFHSA-N 1 0 246.358 2.381 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000020052542 177082628 /nfs/dbraw/zinc/08/26/28/177082628.db2.gz LCCRCIDABACCJV-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(N)=O ZINC000020052794 177083494 /nfs/dbraw/zinc/08/34/94/177083494.db2.gz LDHSYTYDTXQCNQ-FZMZJTMJSA-N 1 0 246.354 2.454 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncn1 ZINC000054788660 177083559 /nfs/dbraw/zinc/08/35/59/177083559.db2.gz JETFDLPEBCNVBU-JQWIXIFHSA-N 1 0 205.305 2.145 10 0 BEAERO C[C@H]1CCCC[C@@H]1Oc1ncccc1C(N)=[NH2+] ZINC000019423989 177084047 /nfs/dbraw/zinc/08/40/47/177084047.db2.gz HZQCLDIBKMRTTG-ONGXEEELSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@H]1CCCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042868018 177086270 /nfs/dbraw/zinc/08/62/70/177086270.db2.gz VLLGJGAXGZLLTG-AVGNSLFASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000094646992 177088329 /nfs/dbraw/zinc/08/83/29/177088329.db2.gz YIQDARVVVKSFQO-UMSGYPCISA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CCCC[C@H]1OCc1cc(C[NH3+])no1 ZINC000052620775 177089616 /nfs/dbraw/zinc/08/96/16/177089616.db2.gz NWGNYMKUKYXGMQ-JOYOIKCWSA-N 1 0 224.304 2.229 10 0 BEAERO C[C@H]1CCCC[C@]1(CN)[N@@H+]1CCCO[C@H](C)C1 ZINC000061916242 177090321 /nfs/dbraw/zinc/09/03/21/177090321.db2.gz OJTCOTWJVZVHCU-BFHYXJOUSA-N 1 0 240.391 2.005 10 0 BEAERO C[C@H]1CCCC[C@H]1Oc1cccc(C[NH3+])n1 ZINC000051524766 177090649 /nfs/dbraw/zinc/09/06/49/177090649.db2.gz CPQYWYKPDVWPQP-CMPLNLGQSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000014193731 177096498 /nfs/dbraw/zinc/09/64/98/177096498.db2.gz ZPKSYGVNZDDWQZ-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(N)cc2)C1 ZINC000051323888 177099659 /nfs/dbraw/zinc/09/96/59/177099659.db2.gz FBZPVTYEBYZUCK-FZMZJTMJSA-N 1 0 234.343 2.034 10 0 BEAERO C[C@H]1CCC[N@H+](C[C@H](N)c2ccccc2)C1 ZINC000036879455 177100474 /nfs/dbraw/zinc/10/04/74/177100474.db2.gz YMKNPGROUHWQOQ-JSGCOSHPSA-N 1 0 218.344 2.418 10 0 BEAERO C[C@H]1CCCN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000104247805 177111947 /nfs/dbraw/zinc/11/19/47/177111947.db2.gz WGSMHZYVZFTFJO-CABZTGNLSA-N 1 0 240.297 2.449 10 0 BEAERO C[C@@H]1CCC[C@H](C)[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121366690 177114646 /nfs/dbraw/zinc/11/46/46/177114646.db2.gz MPHWBQSLMYAXLP-UTLUCORTSA-N 1 0 239.281 2.420 10 0 BEAERO C[C@H]1[C@H]([NH2+]C[C@@H]2CCOC2)CCC[C@@H]1C ZINC000019963322 177122754 /nfs/dbraw/zinc/12/27/54/177122754.db2.gz XCORLMDZPNHIQZ-QNWHQSFQSA-N 1 0 211.349 2.437 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2)[NH2+]1 ZINC000019425535 177129254 /nfs/dbraw/zinc/12/92/54/177129254.db2.gz YGXGPIQISVLDPM-JOYOIKCWSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@H]1CCC[C@H](C)[NH+]1CCCC(N)=S ZINC000019518816 177131131 /nfs/dbraw/zinc/13/11/31/177131131.db2.gz NZSYGLHLRHVWSH-UWVGGRQHSA-N 1 0 214.378 2.316 10 0 BEAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NC1CCCCC1 ZINC000055091744 177135007 /nfs/dbraw/zinc/13/50/07/177135007.db2.gz LYIKEKOASWPGRR-WCFLWFBJSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCCC1(C)C ZINC000063075174 177135650 /nfs/dbraw/zinc/13/56/50/177135650.db2.gz WLDMPLUPZPIHEA-SDDRHHMPSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]CCn2ccc(=O)cc2)C1 ZINC000061628618 177137236 /nfs/dbraw/zinc/13/72/36/177137236.db2.gz QXGQLPAAUNKHTP-STQMWFEESA-N 1 0 234.343 2.017 10 0 BEAERO C[C@H]1CCC[C@](CO)([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000053117249 177143505 /nfs/dbraw/zinc/14/35/05/177143505.db2.gz CIHNNBLTFGIWTR-IHRRRGAJSA-N 1 0 239.359 2.210 10 0 BEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)OC2CCCC2)C1 ZINC000041036821 177143858 /nfs/dbraw/zinc/14/38/58/177143858.db2.gz MAGCLUOVIYWTAD-GXFFZTMASA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CCN(CCC(F)(F)F)C1 ZINC000063101194 177159365 /nfs/dbraw/zinc/15/93/65/177159365.db2.gz UVHFEUZJAZZGPH-ZJUUUORDSA-N 1 0 238.297 2.259 10 0 BEAERO C[C@H]1CCN(Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661671 177164030 /nfs/dbraw/zinc/16/40/30/177164030.db2.gz QRXGDAOZZCOWMD-NSHDSACASA-N 1 0 222.307 2.010 10 0 BEAERO C[C@H]1CCN(Cc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666613 177166695 /nfs/dbraw/zinc/16/66/95/177166695.db2.gz YSOGIQDBJVRFQZ-STQMWFEESA-N 1 0 233.359 2.044 10 0 BEAERO C[C@H]1CCN([C@@H](C[NH3+])c2ccsc2)C1 ZINC000042278870 177169799 /nfs/dbraw/zinc/16/97/99/177169799.db2.gz DLEBKCRWGSRUFA-ONGXEEELSA-N 1 0 210.346 2.090 10 0 BEAERO C[C@H]1CCN(c2cc(F)ccc2F)CC[NH2+]1 ZINC000049661137 177171172 /nfs/dbraw/zinc/17/11/72/177171172.db2.gz GFMBVXUKHPOSIZ-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)NCCC2CCCC2)C[NH2+]1 ZINC000037741555 177181271 /nfs/dbraw/zinc/18/12/71/177181271.db2.gz OFFNZYGVDJTBIP-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C)c2ccccc21 ZINC000124829659 177192169 /nfs/dbraw/zinc/19/21/69/177192169.db2.gz DJHRVXPZNRMBMQ-SMDDNHRTSA-N 1 0 246.354 2.303 10 0 BEAERO C[C@H]1CC[C@H](C(=O)Nc2ccccc2F)C[NH2+]1 ZINC000019428143 177197408 /nfs/dbraw/zinc/19/74/08/177197408.db2.gz CXVABHIMEXLIOG-UWVGGRQHSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@H]1CC[C@H]([NH3+])[C@H](C)N1Cc1ccccc1 ZINC000068593072 177203926 /nfs/dbraw/zinc/20/39/26/177203926.db2.gz ULXWOSFIBHNQLH-OBJOEFQTSA-N 1 0 218.344 2.387 10 0 BEAERO C[C@H]1CN(C(=[NH2+])Nc2ccccc2)CCCO1 ZINC000061934099 177210660 /nfs/dbraw/zinc/21/06/60/177210660.db2.gz RHLOSQYSTIWLHI-NSHDSACASA-N 1 0 233.315 2.144 10 0 BEAERO C[C@H]1C[N@H+](CCCNc2ccccc2)CCN1C ZINC000104132453 177249715 /nfs/dbraw/zinc/24/97/15/177249715.db2.gz TWNIJFLASWCRLA-AWEZNQCLSA-N 1 0 247.386 2.125 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCS1 ZINC000221540197 177257369 /nfs/dbraw/zinc/25/73/69/177257369.db2.gz LQDHDQHYTSDRQJ-WCQYABFASA-N 1 0 237.368 2.157 10 0 BEAERO C[C@H]1CN(Cc2ccccc2)[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000068592991 177266438 /nfs/dbraw/zinc/26/64/38/177266438.db2.gz MCYADVOUXKSBRH-KYEXWDHISA-N 1 0 232.371 2.490 10 0 BEAERO C[C@H]1CN(Cc2ccccc2F)CCC[NH2+]1 ZINC000062611090 177266670 /nfs/dbraw/zinc/26/66/70/177266670.db2.gz IROVDISDGCWKKU-NSHDSACASA-N 1 0 222.307 2.010 10 0 BEAERO C[C@@H](c1cccc(O)c1)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070075187 177273681 /nfs/dbraw/zinc/27/36/81/177273681.db2.gz NSIAZYOMYXRCRX-SRVKXCTJSA-N 1 0 234.343 2.135 10 0 BEAERO C[C@@H]([NH3+])Cc1ccccc1N1CCCO[C@@H](C)C1 ZINC000104265605 177277381 /nfs/dbraw/zinc/27/73/81/177277381.db2.gz GEICGSOYOHGLEM-OLZOCXBDSA-N 1 0 248.370 2.192 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2cc(F)cc(F)c2)C1 ZINC000049665343 177281300 /nfs/dbraw/zinc/28/13/00/177281300.db2.gz GXZOELRITHOUQP-JTQLQIEISA-N 1 0 240.297 2.401 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1Cc1ccc(F)cc1 ZINC000041271408 177281460 /nfs/dbraw/zinc/28/14/60/177281460.db2.gz OGJDIQAAUSUNRM-NSHDSACASA-N 1 0 236.334 2.398 10 0 BEAERO C[C@H](NC1=[NH+]C[C@H](C)S1)c1cccnc1 ZINC000035692469 177281951 /nfs/dbraw/zinc/28/19/51/177281951.db2.gz KJSPEXHLZQCLNN-IUCAKERBSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2ccccc2F)C1 ZINC000049664586 177282106 /nfs/dbraw/zinc/28/21/06/177282106.db2.gz GLLLIFFOTFJKET-NSHDSACASA-N 1 0 222.307 2.262 10 0 BEAERO C[C@H]1C[NH2+]CCN(c2c(F)cccc2F)C1 ZINC000049661853 177283056 /nfs/dbraw/zinc/28/30/56/177283056.db2.gz AFFWGIRLZBVGBB-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[C@H]1CNCC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000083086973 177283809 /nfs/dbraw/zinc/28/38/09/177283809.db2.gz YJMJNWMFMHSXIG-NSHDSACASA-N 1 0 212.381 2.495 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(Cc2cccs2)no1 ZINC000104209416 177285774 /nfs/dbraw/zinc/28/57/74/177285774.db2.gz ISYXAMZWSDBLTB-WPRPVWTQSA-N 1 0 249.339 2.045 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000083008493 177285812 /nfs/dbraw/zinc/28/58/12/177285812.db2.gz LMVKSJQVKNHHOX-YPMHNXCESA-N 1 0 218.344 2.466 10 0 BEAERO C[C@@H]1C[N@@H+](C2CCCCCC2)[C@@H](C)CN1 ZINC000071512337 177286558 /nfs/dbraw/zinc/28/65/58/177286558.db2.gz SPLVGFVUSCGSGW-NEPJUHHUSA-N 1 0 210.365 2.391 10 0 BEAERO C[C@H]1COCCN1C1(C[NH3+])CCCCCCC1 ZINC000035774940 177290492 /nfs/dbraw/zinc/29/04/92/177290492.db2.gz WBYAJKNKJKPFCE-ZDUSSCGKSA-N 1 0 240.391 2.149 10 0 BEAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCOC[C@@H]1C ZINC000040908165 177293758 /nfs/dbraw/zinc/29/37/58/177293758.db2.gz KOMSFGSCYBWTOK-QWRGUYRKSA-N 1 0 220.316 2.051 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccccc1 ZINC000120978111 177298871 /nfs/dbraw/zinc/29/88/71/177298871.db2.gz HSPOZEDSMWQHCR-TXEJJXNPSA-N 1 0 205.301 2.296 10 0 BEAERO C[C@H]1CSC(NCc2cccs2)=[NH+]1 ZINC000035295322 177303170 /nfs/dbraw/zinc/30/31/70/177303170.db2.gz FUGXAVPWEKWVFR-ZETCQYMHSA-N 1 0 212.343 2.329 10 0 BEAERO C[C@H]1CSC(NCc2ccccc2)=[NH+]1 ZINC000035294407 177303349 /nfs/dbraw/zinc/30/33/49/177303349.db2.gz BXPGWSKMTAYXJF-VIFPVBQESA-N 1 0 206.314 2.268 10 0 BEAERO C[C@H]1CSC(NCCc2cccs2)=[NH+]1 ZINC000035294984 177303368 /nfs/dbraw/zinc/30/33/68/177303368.db2.gz ACCLSCXDEQDJAB-QMMMGPOBSA-N 1 0 226.370 2.372 10 0 BEAERO C[C@H]1C[C@@H](C(=O)N2CCCCCC2)CC[C@@H]1[NH3+] ZINC000055122661 177307856 /nfs/dbraw/zinc/30/78/56/177307856.db2.gz HGTWIIQKDNCVNK-AVGNSLFASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000190952112 177349690 /nfs/dbraw/zinc/34/96/90/177349690.db2.gz JGUKRVQZKVZLJO-AAEUAGOBSA-N 1 0 227.311 2.370 10 0 BEAERO C[C@@H]1CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000051732977 177355008 /nfs/dbraw/zinc/35/50/08/177355008.db2.gz OYIRRAYJKSUNQQ-NEPJUHHUSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@H]1C[C@H](C)C[NH+]([C@@H]2CCCC[C@@H]2N)C1 ZINC000019390128 177358630 /nfs/dbraw/zinc/35/86/30/177358630.db2.gz XBCBFSSRCVGIEN-ZDEQEGDKSA-N 1 0 210.365 2.234 10 0 BEAERO C[C@H]1C[C@H](C)C[NH+](Cc2ccoc2CN)C1 ZINC000052420665 177359176 /nfs/dbraw/zinc/35/91/76/177359176.db2.gz KQUWQTLHPQKKMX-QWRGUYRKSA-N 1 0 222.332 2.216 10 0 BEAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)CC(C)(C)C1 ZINC000037998161 177370511 /nfs/dbraw/zinc/37/05/11/177370511.db2.gz PTYGRLVLEZAHCK-RWMBFGLXSA-N 1 0 241.375 2.206 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295321384 177385823 /nfs/dbraw/zinc/38/58/23/177385823.db2.gz GSZCGSVKXJYPGO-GXFFZTMASA-N 1 0 219.328 2.412 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000052273024 177386124 /nfs/dbraw/zinc/38/61/24/177386124.db2.gz MMQFQGQMIHBUQH-SWLSCSKDSA-N 1 0 241.338 2.429 10 0 BEAERO C[C@H]1Cc2c(cnn2-c2ccccc2)[C@@H]([NH3+])C1 ZINC000072415621 177388332 /nfs/dbraw/zinc/38/83/32/177388332.db2.gz DDRABPXZQSDSNK-MFKMUULPSA-N 1 0 227.311 2.454 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]CCCCOC(C)(C)C ZINC000348189833 177406881 /nfs/dbraw/zinc/40/68/81/177406881.db2.gz PHOLVABBIXEHHD-VXGBXAGGSA-N 1 0 229.364 2.349 10 0 BEAERO C[C@]1(c2cccc(O)c2)CCCC[NH2+]C1 ZINC000039105377 177479008 /nfs/dbraw/zinc/47/90/08/177479008.db2.gz CFBMVIZSBHZLEM-ZDUSSCGKSA-N 1 0 205.301 2.423 10 0 BEAERO C[C@]1(c2cccs2)C[C@@H]1C[NH2+][C@H]1CCOC1 ZINC000364021860 177480254 /nfs/dbraw/zinc/48/02/54/177480254.db2.gz KNELMSKISVHBLD-MDZLAQPJSA-N 1 0 237.368 2.404 10 0 BEAERO Cc1c(C[NH2+]CCCc2ccccc2)cnn1C ZINC000093649269 177591547 /nfs/dbraw/zinc/59/15/47/177591547.db2.gz SNPPUGIGFQNGAG-UHFFFAOYSA-N 1 0 243.354 2.451 10 0 BEAERO Cc1c(Cl)ccc2ccc(C(N)=[NH2+])nc12 ZINC000067173640 177598118 /nfs/dbraw/zinc/59/81/18/177598118.db2.gz PUHPGWMRMOQTFT-UHFFFAOYSA-N 1 0 219.675 2.481 10 0 BEAERO CCC1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079520342 487641083 /nfs/dbraw/zinc/64/10/83/487641083.db2.gz JRXZWONCEGLNJR-YIZWMMSDSA-N 1 0 238.375 2.214 10 0 BEAERO COc1ccc2c(c1)CN(C[C@H]1CCC[NH2+]C1)C2 ZINC000058012252 487648564 /nfs/dbraw/zinc/64/85/64/487648564.db2.gz BGKIZORCACFHIB-LBPRGKRZSA-N 1 0 246.354 2.010 10 0 BEAERO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000400353902 226341711 /nfs/dbraw/zinc/34/17/11/226341711.db2.gz ANJKMOQCIAHGTE-WOPDTQHZSA-N 1 0 222.332 2.237 10 0 BEAERO C[C@H](Nc1cccc(CCCO)c1)[C@H]1CC[NH2+]C1 ZINC000400503979 226345241 /nfs/dbraw/zinc/34/52/41/226345241.db2.gz CSJMDOQVTYTQTR-JSGCOSHPSA-N 1 0 248.370 2.021 10 0 BEAERO C[C@H](C[N@@H+]1C[C@H](C)C[C@@H](O)C1)c1ccccc1 ZINC000401577510 226359520 /nfs/dbraw/zinc/35/95/20/226359520.db2.gz IRBUBPSEKCQRFE-UMVBOHGHSA-N 1 0 233.355 2.493 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000228479013 487656864 /nfs/dbraw/zinc/65/68/64/487656864.db2.gz JYXZLQUEMPXAQJ-QJPTWQEYSA-N 1 0 226.364 2.055 10 0 BEAERO COc1cc(C)ccc1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400388626 533684274 /nfs/dbraw/zinc/68/42/74/533684274.db2.gz MMTYWTGPSCHBME-RYUDHWBXSA-N 1 0 234.343 2.414 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000054074546 487681181 /nfs/dbraw/zinc/68/11/81/487681181.db2.gz SHLVTOGVMIMSRF-RYUDHWBXSA-N 1 0 234.343 2.089 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cccc2c1CCCC2 ZINC000054071557 487681015 /nfs/dbraw/zinc/68/10/15/487681015.db2.gz CLFIWGMRUZMLIU-SNVBAGLBSA-N 1 0 232.327 2.112 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000054076396 487683596 /nfs/dbraw/zinc/68/35/96/487683596.db2.gz ABADRQMBLOWTKL-RKDXNWHRSA-N 1 0 240.734 2.125 10 0 BEAERO COc1ccc(C[NH2+][C@H]2C[C@H]2C)c(F)c1 ZINC000228597728 487684628 /nfs/dbraw/zinc/68/46/28/487684628.db2.gz RAQCCCVFACIBGL-PELKAZGASA-N 1 0 209.264 2.332 10 0 BEAERO COc1ccc([C@@H]([NH3+])CF)cc1Cl ZINC000306821711 262775629 /nfs/dbraw/zinc/77/56/29/262775629.db2.gz PMJDMECQABLWPR-QMMMGPOBSA-N 1 0 203.644 2.318 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC1CCCCC1 ZINC000399159368 262777550 /nfs/dbraw/zinc/77/75/50/262777550.db2.gz JRZAQOKQHGGGHP-AAEUAGOBSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@H](N(C)C(=O)C[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000054292050 487709053 /nfs/dbraw/zinc/70/90/53/487709053.db2.gz KVFKVVYTKREBSA-RYUDHWBXSA-N 1 0 240.391 2.269 10 0 BEAERO CC(=O)c1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136437745 487736171 /nfs/dbraw/zinc/73/61/71/487736171.db2.gz POGSXASGMZDMOE-CYBMUJFWSA-N 1 0 248.326 2.201 10 0 BEAERO CC[C@@]1(C)CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000399351680 487745073 /nfs/dbraw/zinc/74/50/73/487745073.db2.gz MISDEYXUVROTCY-AAEUAGOBSA-N 1 0 226.364 2.008 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000399758961 487751741 /nfs/dbraw/zinc/75/17/41/487751741.db2.gz RATDHGLQKRGDNF-NWDGAFQWSA-N 1 0 240.391 2.399 10 0 BEAERO CN(C(=O)Nc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000226459818 487751791 /nfs/dbraw/zinc/75/17/91/487751791.db2.gz GOXFICKIHCBYFR-ZDUSSCGKSA-N 1 0 247.342 2.292 10 0 BEAERO CN(CC1CCCCC1)[C@H](C[NH3+])C(F)(F)F ZINC000042491770 487751819 /nfs/dbraw/zinc/75/18/19/487751819.db2.gz PZAJJLINRMCPEP-SNVBAGLBSA-N 1 0 238.297 2.388 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000251287350 487752992 /nfs/dbraw/zinc/75/29/92/487752992.db2.gz FMDWKXWDXKIGMO-BFHYXJOUSA-N 1 0 246.354 2.032 10 0 BEAERO CC(C)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251424430 487755808 /nfs/dbraw/zinc/75/58/08/487755808.db2.gz QOCGAGIEZKCYQP-XQQFMLRXSA-N 1 0 238.375 2.008 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ncnc2ccccc21 ZINC000089092391 487761958 /nfs/dbraw/zinc/76/19/58/487761958.db2.gz GUFUQMWWNADRBT-PWSUYJOCSA-N 1 0 242.326 2.169 10 0 BEAERO CC[C@@H]1CN(c2nc3ccccc3[nH]2)CC[C@H]1[NH3+] ZINC000251527972 487766266 /nfs/dbraw/zinc/76/62/66/487766266.db2.gz AFWNZTDBFYHYPX-GHMZBOCLSA-N 1 0 244.342 2.127 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000251564378 487769711 /nfs/dbraw/zinc/76/97/11/487769711.db2.gz BLYCZEJYSDCKEB-UMSGYPCISA-N 1 0 240.391 2.301 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000251564390 487769741 /nfs/dbraw/zinc/76/97/41/487769741.db2.gz BLYCZEJYSDCKEB-WUHRBBMRSA-N 1 0 240.391 2.301 10 0 BEAERO C[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000251643014 487781059 /nfs/dbraw/zinc/78/10/59/487781059.db2.gz JHYNHAIQTDKNPB-WUHRBBMRSA-N 1 0 238.375 2.151 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)o1 ZINC000051724154 487783818 /nfs/dbraw/zinc/78/38/18/487783818.db2.gz APRVYTLTCHIPMU-GHMZBOCLSA-N 1 0 223.316 2.235 10 0 BEAERO COc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089449752 487817111 /nfs/dbraw/zinc/81/71/11/487817111.db2.gz MKZCLNCHXQCSQW-GWCFXTLKSA-N 1 0 248.326 2.009 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCC1CCCC1 ZINC000089454475 487819191 /nfs/dbraw/zinc/81/91/91/487819191.db2.gz WLUVSGWVUUWHBN-QWHCGFSZSA-N 1 0 238.375 2.058 10 0 BEAERO CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457619 487819709 /nfs/dbraw/zinc/81/97/09/487819709.db2.gz KFMJYNQBEXIPEJ-CHWSQXEVSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000089456578 487819778 /nfs/dbraw/zinc/81/97/78/487819778.db2.gz WIYYTJJLYKAKPV-STQMWFEESA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1CCCN(c2ncccc2Cl)[C@H]1C[NH3+] ZINC000252208460 487821939 /nfs/dbraw/zinc/82/19/39/487821939.db2.gz VQMRFNSOLGDKIA-KOLCDFICSA-N 1 0 239.750 2.299 10 0 BEAERO CN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462523 487822485 /nfs/dbraw/zinc/82/24/85/487822485.db2.gz SFGUXHRADQEMDK-STQMWFEESA-N 1 0 238.375 2.010 10 0 BEAERO CN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462518 487822581 /nfs/dbraw/zinc/82/25/81/487822581.db2.gz SFGUXHRADQEMDK-OLZOCXBDSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)N(CC1CC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089460711 487823227 /nfs/dbraw/zinc/82/32/27/487823227.db2.gz ZMHZFERZOGSJIF-CHWSQXEVSA-N 1 0 238.375 2.008 10 0 BEAERO CC[NH+](CC)CCN1CC2CCC1CC2 ZINC000373122864 487859558 /nfs/dbraw/zinc/85/95/58/487859558.db2.gz LXLNOHVSEUOHHR-UHFFFAOYSA-N 1 0 210.365 2.203 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCNC2=O)c1 ZINC000395811077 487875135 /nfs/dbraw/zinc/87/51/35/487875135.db2.gz LBXVSPXKZWKPHL-OLZOCXBDSA-N 1 0 246.354 2.172 10 0 BEAERO CCC(C)(CC)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000227428216 487879443 /nfs/dbraw/zinc/87/94/43/487879443.db2.gz FXESETTUWKKYDD-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO Clc1cscc1CNC[C@@H]1CC[NH2+]C1 ZINC000666845578 487889693 /nfs/dbraw/zinc/88/96/93/487889693.db2.gz WWEMQQATZDZQEJ-MRVPVSSYSA-N 1 0 230.764 2.101 10 0 BEAERO C[C@H]([NH2+]Cc1cncnc1)c1cccc(O)c1 ZINC000054767836 487897130 /nfs/dbraw/zinc/89/71/30/487897130.db2.gz DUQGRNIKGAKDSH-JTQLQIEISA-N 1 0 229.283 2.033 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCN[C@@H]1C ZINC000666887471 487898208 /nfs/dbraw/zinc/89/82/08/487898208.db2.gz QWKBORHGOVMIBX-NQBHXWOUSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncnc2ccccc21 ZINC000229599084 487930350 /nfs/dbraw/zinc/93/03/50/487930350.db2.gz YOUWDOFVWLJBKW-ZYHUDNBSSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229665053 487935251 /nfs/dbraw/zinc/93/52/51/487935251.db2.gz ACOFQETUSDSVSA-MFKMUULPSA-N 1 0 230.311 2.435 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000659339770 487941602 /nfs/dbraw/zinc/94/16/02/487941602.db2.gz LTJCHVCRPRIJET-GWCFXTLKSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H](C[NH2+]C1CCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000047848572 487945056 /nfs/dbraw/zinc/94/50/56/487945056.db2.gz GIXFVOGOZKVVEZ-RWMBFGLXSA-N 1 0 240.391 2.016 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403435498 323002258 /nfs/dbraw/zinc/00/22/58/323002258.db2.gz YUZDTXDCGYSHJR-KIJLLGNVSA-N 1 0 209.333 2.068 10 0 BEAERO CCOC(=O)C[N@H+](CCCF)C(C)(C)C ZINC000130809119 323012061 /nfs/dbraw/zinc/01/20/61/323012061.db2.gz GRLGRFRNHGECFQ-UHFFFAOYSA-N 1 0 219.300 2.010 10 0 BEAERO CC(C)CSCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000562959590 323035289 /nfs/dbraw/zinc/03/52/89/323035289.db2.gz KUAHTPVJSGXZOO-OLZOCXBDSA-N 1 0 244.448 2.353 10 0 BEAERO CC(C)C(C[NH2+]CC1CC(O)C1)C(C)C ZINC000308930758 323081684 /nfs/dbraw/zinc/08/16/84/323081684.db2.gz NTJHLCBVVKABAB-UHFFFAOYSA-N 1 0 213.365 2.275 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCSC1 ZINC000324607165 323088274 /nfs/dbraw/zinc/08/82/74/323088274.db2.gz KSRLTAINPXMONP-WDEREUQCSA-N 1 0 231.405 2.126 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000313492847 323091948 /nfs/dbraw/zinc/09/19/48/323091948.db2.gz PQJOBGHOXZKROO-WDEREUQCSA-N 1 0 226.364 2.056 10 0 BEAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2)C1 ZINC000048769037 323154949 /nfs/dbraw/zinc/15/49/49/323154949.db2.gz KDGMEGSRTGYEIQ-CYBMUJFWSA-N 1 0 247.342 2.292 10 0 BEAERO CSCCCC[NH2+]Cc1cncs1 ZINC000136174557 323181146 /nfs/dbraw/zinc/18/11/46/323181146.db2.gz MJEUODKFJWFEEZ-UHFFFAOYSA-N 1 0 216.375 2.376 10 0 BEAERO COc1ccc(Br)cc1[C@@H]([NH3+])CF ZINC000211906780 323195202 /nfs/dbraw/zinc/19/52/02/323195202.db2.gz HMAJDDWOZGWOEM-QMMMGPOBSA-N 1 0 248.095 2.427 10 0 BEAERO COc1ccc(Br)cc1[C@H]([NH3+])CF ZINC000211906704 323195233 /nfs/dbraw/zinc/19/52/33/323195233.db2.gz HMAJDDWOZGWOEM-MRVPVSSYSA-N 1 0 248.095 2.427 10 0 BEAERO [NH3+]Cc1nccc2c(F)cc(F)c(F)c21 ZINC000521401942 323201140 /nfs/dbraw/zinc/20/11/40/323201140.db2.gz SGAVOURRTUJNNX-UHFFFAOYSA-N 1 0 212.174 2.111 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(F)c1 ZINC000399300859 323203001 /nfs/dbraw/zinc/20/30/01/323203001.db2.gz XFNYFWNKFMWGNQ-GWCFXTLKSA-N 1 0 223.291 2.171 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(F)cc1 ZINC000399292583 323203121 /nfs/dbraw/zinc/20/31/21/323203121.db2.gz SMNBJBAVGQFGFS-GXFFZTMASA-N 1 0 223.291 2.171 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399310286 323203336 /nfs/dbraw/zinc/20/33/36/323203336.db2.gz QVCKREMUELAQFP-GXTWGEPZSA-N 1 0 249.354 2.349 10 0 BEAERO CC1(C)CCC(C[NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000309157516 323320820 /nfs/dbraw/zinc/32/08/20/323320820.db2.gz XTIDPTVZQNJVOF-NWDGAFQWSA-N 1 0 211.349 2.173 10 0 BEAERO Cc1oncc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000181670572 323375430 /nfs/dbraw/zinc/37/54/30/323375430.db2.gz QZDJSDOPPPTINO-UHFFFAOYSA-N 1 0 246.314 2.086 10 0 BEAERO CC[C@@H]([NH2+]CC1CC(O)C1)c1ccc(F)cn1 ZINC000161345752 323496134 /nfs/dbraw/zinc/49/61/34/323496134.db2.gz YWFIUWCMXICSDM-QEWOUOOISA-N 1 0 238.306 2.032 10 0 BEAERO CSC[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162559186 323626788 /nfs/dbraw/zinc/62/67/88/323626788.db2.gz FAPPWHRMHOTKCJ-YTWAJWBKSA-N 1 0 229.389 2.141 10 0 BEAERO C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000396694037 323653501 /nfs/dbraw/zinc/65/35/01/323653501.db2.gz IYBFKIZBJQQLPV-SDDRHHMPSA-N 1 0 210.365 2.295 10 0 BEAERO [NH3+]C[C@@H](c1ccc(F)cc1)C1(CO)CCC1 ZINC000536953377 323960606 /nfs/dbraw/zinc/96/06/06/323960606.db2.gz JEDSSBQQAKMUJQ-LBPRGKRZSA-N 1 0 223.291 2.031 10 0 BEAERO [NH3+]C[C@H](c1cccc(F)c1)C1(CO)CCC1 ZINC000536954195 323962386 /nfs/dbraw/zinc/96/23/86/323962386.db2.gz PJQQBLFOSPERFE-GFCCVEGCSA-N 1 0 223.291 2.031 10 0 BEAERO CC(C)(C)OC(=O)c1ccc2c(c1)C[C@H]([NH3+])C2 ZINC000536954429 323962486 /nfs/dbraw/zinc/96/24/86/323962486.db2.gz UPKBMFUMVLWEAC-GFCCVEGCSA-N 1 0 233.311 2.068 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](c2cccc(F)c2)CO1 ZINC000536958535 323970222 /nfs/dbraw/zinc/97/02/22/323970222.db2.gz PXOUEWKTBXNPJJ-JQWIXIFHSA-N 1 0 209.264 2.047 10 0 BEAERO CC(C)n1ccc([C@@H]2[NH2+]C[C@]23CCOC3)c1 ZINC000536959478 323972009 /nfs/dbraw/zinc/97/20/09/323972009.db2.gz KPEZWJHBOSQLCB-STQMWFEESA-N 1 0 220.316 2.120 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)CO)c1cccc(OC)c1 ZINC000123303252 324221389 /nfs/dbraw/zinc/22/13/89/324221389.db2.gz AFFKXSOLEWMDRF-GXFFZTMASA-N 1 0 223.316 2.117 10 0 BEAERO CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)s1 ZINC000125718875 324648538 /nfs/dbraw/zinc/64/85/38/324648538.db2.gz FENNBVZBVNRPNJ-UWVGGRQHSA-N 1 0 227.373 2.417 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000227691300 324858931 /nfs/dbraw/zinc/85/89/31/324858931.db2.gz JNODKUZHOOEWAI-QUANKSPYSA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1nc(C)no1 ZINC000129385502 324943826 /nfs/dbraw/zinc/94/38/26/324943826.db2.gz SVFLSQYAAVGPHJ-MNOVXSKESA-N 1 0 223.320 2.089 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229665013 324971875 /nfs/dbraw/zinc/97/18/75/324971875.db2.gz ODMVXTCDHWTLFC-GWCFXTLKSA-N 1 0 230.311 2.435 10 0 BEAERO COC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000071264474 325064971 /nfs/dbraw/zinc/06/49/71/325064971.db2.gz LEGIIEZONVASSV-IGQOVBAYSA-N 1 0 243.391 2.044 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CC3=CCCCC3)C[C@H]12 ZINC000311051132 325124473 /nfs/dbraw/zinc/12/44/73/325124473.db2.gz GSLMATHKWAUADX-HZSPNIEDSA-N 1 0 248.370 2.073 10 0 BEAERO CC(C)c1ncc(C[NH2+]CC[C@@H](C)O)s1 ZINC000132653523 325233202 /nfs/dbraw/zinc/23/32/02/325233202.db2.gz CQVLJFCYVRWZIN-SECBINFHSA-N 1 0 228.361 2.127 10 0 BEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]1C ZINC000245894475 325532295 /nfs/dbraw/zinc/53/22/95/325532295.db2.gz CSIUTLIPMAZJBQ-BBBLOLIVSA-N 1 0 213.321 2.105 10 0 BEAERO C[C@@H](CCc1ccccc1)[NH2+]CC1CC(O)C1 ZINC000091524916 325687263 /nfs/dbraw/zinc/68/72/63/325687263.db2.gz AMVCGMPMCZIISY-GRTSSRMGSA-N 1 0 233.355 2.368 10 0 BEAERO CCC[C@H]([NH2+]CC1CC(O)C1)C1CCC1 ZINC000322519788 326114477 /nfs/dbraw/zinc/11/44/77/326114477.db2.gz IZXNRZAQSQDMEE-GDKBPFBDSA-N 1 0 211.349 2.316 10 0 BEAERO COc1cccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000567647157 326238169 /nfs/dbraw/zinc/23/81/69/326238169.db2.gz WUTOXTAPJJZQIE-RYUDHWBXSA-N 1 0 234.343 2.495 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(Cl)cn1 ZINC000165739972 326426021 /nfs/dbraw/zinc/42/60/21/326426021.db2.gz HNJQAWZCKVEGEU-SFYZADRCSA-N 1 0 213.712 2.273 10 0 BEAERO CCCc1nc2ccccc2n1C[C@@H](C)[NH3+] ZINC000166337459 326432465 /nfs/dbraw/zinc/43/24/65/326432465.db2.gz IIPNAHGVGIQLES-SNVBAGLBSA-N 1 0 217.316 2.336 10 0 BEAERO CC[NH2+]CCNc1nccc2ccccc21 ZINC000123790430 488010611 /nfs/dbraw/zinc/01/06/11/488010611.db2.gz WNZKGDZRPHEEPW-UHFFFAOYSA-N 1 0 215.300 2.256 10 0 BEAERO C[C@H]1CCCN(c2nccc3occc32)[C@@H]1C[NH3+] ZINC000235719991 488011303 /nfs/dbraw/zinc/01/13/03/488011303.db2.gz MSQGOIHKLZHJGK-CMPLNLGQSA-N 1 0 245.326 2.391 10 0 BEAERO CCCC[N@H+](CC)CC(=O)NC(C)(C)C ZINC000052877693 488019046 /nfs/dbraw/zinc/01/90/46/488019046.db2.gz YOGRPKNNGURTAJ-UHFFFAOYSA-N 1 0 214.353 2.023 10 0 BEAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)C[C@H]1CCCCO1 ZINC000310504939 488035466 /nfs/dbraw/zinc/03/54/66/488035466.db2.gz KGIDHJRAGNWXMJ-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)c1nsc(N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084212836 488037872 /nfs/dbraw/zinc/03/78/72/488037872.db2.gz DCTARCQCFGUFAV-IUCAKERBSA-N 1 0 240.376 2.201 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000084308438 488042239 /nfs/dbraw/zinc/04/22/39/488042239.db2.gz HKGLKKYCQSVKGV-PWSUYJOCSA-N 1 0 218.300 2.000 10 0 BEAERO Cc1cc(C[NH2+]CC2CC(O)C2)c(C)s1 ZINC000084446344 488052534 /nfs/dbraw/zinc/05/25/34/488052534.db2.gz KWUVLLBXZAJTCI-UHFFFAOYSA-N 1 0 225.357 2.225 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000136125347 488081794 /nfs/dbraw/zinc/08/17/94/488081794.db2.gz UWFSZEXFNFPPEI-YWPUVAFDSA-N 1 0 238.375 2.293 10 0 BEAERO Cc1ccc(CN(C)C(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136307267 488094155 /nfs/dbraw/zinc/09/41/55/488094155.db2.gz BEGYGMYNWXZSQA-CQSZACIVSA-N 1 0 248.370 2.327 10 0 BEAERO Cc1cccc(CN(C)C(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136387509 488101651 /nfs/dbraw/zinc/10/16/51/488101651.db2.gz KESPHIOXTDMIQD-CQSZACIVSA-N 1 0 248.370 2.327 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(F)c1F ZINC000136413310 488101696 /nfs/dbraw/zinc/10/16/96/488101696.db2.gz AXWHLVXVVWWXOY-VIFPVBQESA-N 1 0 242.269 2.277 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)c1ccccc1 ZINC000136437444 488102426 /nfs/dbraw/zinc/10/24/26/488102426.db2.gz WVRNJUBLINNSKC-JSGCOSHPSA-N 1 0 248.370 2.280 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000136427062 488102491 /nfs/dbraw/zinc/10/24/91/488102491.db2.gz ULZXJKAAJIQJAW-GFCCVEGCSA-N 1 0 245.326 2.480 10 0 BEAERO CCC1(C)CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136459693 488102539 /nfs/dbraw/zinc/10/25/39/488102539.db2.gz MNJYZSSWUPVAMX-LBPRGKRZSA-N 1 0 240.391 2.399 10 0 BEAERO CC(=O)c1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136434878 488102262 /nfs/dbraw/zinc/10/22/62/488102262.db2.gz CMLVJIRZBBIUEP-ZDUSSCGKSA-N 1 0 248.326 2.201 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H]1C ZINC000389627618 488103052 /nfs/dbraw/zinc/10/30/52/488103052.db2.gz LBFATMKEMHSILQ-YVECIDJPSA-N 1 0 211.349 2.268 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000148541638 488103100 /nfs/dbraw/zinc/10/31/00/488103100.db2.gz FVTHCSCEJCJKPT-OBJOEFQTSA-N 1 0 246.354 2.170 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C1CCC(C)CC1 ZINC000148559791 488103798 /nfs/dbraw/zinc/10/37/98/488103798.db2.gz QVNNKMMFQSPTMD-WXRRBKDZSA-N 1 0 240.391 2.397 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000378797627 488106319 /nfs/dbraw/zinc/10/63/19/488106319.db2.gz RMSLPVPPWZGIHI-REWJHTLYSA-N 1 0 223.360 2.458 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000252210285 487536514 /nfs/dbraw/zinc/53/65/14/487536514.db2.gz WDVLVBWIXCFQLO-JHJVBQTASA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCS1 ZINC000309723906 488111532 /nfs/dbraw/zinc/11/15/32/488111532.db2.gz CPCKIVDEZIUISV-YNEHKIRRSA-N 1 0 243.416 2.365 10 0 BEAERO Cc1ccc(O)c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000094574283 487543989 /nfs/dbraw/zinc/54/39/89/487543989.db2.gz IKMABTADARCGIM-QWRGUYRKSA-N 1 0 248.326 2.014 10 0 BEAERO Cc1cc(C)c(O)c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000094574600 487546641 /nfs/dbraw/zinc/54/66/41/487546641.db2.gz GPKAFNRXUISONA-GHMZBOCLSA-N 1 0 248.326 2.075 10 0 BEAERO CC(C)[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)C1CC1 ZINC000324195402 487553764 /nfs/dbraw/zinc/55/37/64/487553764.db2.gz XIMACSCRYXTBRY-OCCSQVGLSA-N 1 0 238.375 2.069 10 0 BEAERO CCN1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)[C@@H](C)C1 ZINC000382103927 487531725 /nfs/dbraw/zinc/53/17/25/487531725.db2.gz CIMUTOWEXFOKDX-HPCHECBXSA-N 1 0 222.376 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382103940 487531808 /nfs/dbraw/zinc/53/18/08/487531808.db2.gz CIMUTOWEXFOKDX-PDWCTOEPSA-N 1 0 222.376 2.105 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN[C@@H]1C ZINC000396709921 487532081 /nfs/dbraw/zinc/53/20/81/487532081.db2.gz OXJMJALYXUSVLY-NDBYEHHHSA-N 1 0 210.365 2.295 10 0 BEAERO CCN(CC)C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000061589431 487477022 /nfs/dbraw/zinc/47/70/22/487477022.db2.gz MHNHTTGTHMDZTR-RYUDHWBXSA-N 1 0 230.421 2.202 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1O ZINC000093654440 487481183 /nfs/dbraw/zinc/48/11/83/487481183.db2.gz QXEHVXRXGSRPBO-QWRGUYRKSA-N 1 0 248.326 2.157 10 0 BEAERO CC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000227727677 487493798 /nfs/dbraw/zinc/49/37/98/487493798.db2.gz PGCNQSKNKJORTG-CHWSQXEVSA-N 1 0 211.349 2.269 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CC)[C@H](C)CC ZINC000300229481 487505176 /nfs/dbraw/zinc/50/51/76/487505176.db2.gz XELFYEMNPINLHV-CHWSQXEVSA-N 1 0 231.380 2.284 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304619495 487512318 /nfs/dbraw/zinc/51/23/18/487512318.db2.gz SXJUGGUCAQYRLN-HPCHECBXSA-N 1 0 223.360 2.316 10 0 BEAERO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC1 ZINC000381585290 487513810 /nfs/dbraw/zinc/51/38/10/487513810.db2.gz HIDFSLQGPFZIIU-KWCYVHTRSA-N 1 0 217.312 2.229 10 0 BEAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)CC1CCCC1 ZINC000232129556 487516242 /nfs/dbraw/zinc/51/62/42/487516242.db2.gz GSTWACNMNIGETI-KBPBESRZSA-N 1 0 241.375 2.086 10 0 BEAERO C[N@@H+](Cc1ccoc1)C[C@H]1CCC[C@@H](O)C1 ZINC000381690456 487520249 /nfs/dbraw/zinc/52/02/49/487520249.db2.gz ZQUNXPUTZLELFW-WCQYABFASA-N 1 0 223.316 2.263 10 0 BEAERO CC(C)[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000324100869 487520744 /nfs/dbraw/zinc/52/07/44/487520744.db2.gz JMCGNYFPWGSBIW-TZMCWYRMSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC(CO)C1 ZINC000668780080 487526367 /nfs/dbraw/zinc/52/63/67/487526367.db2.gz VYKFXGSKCKNJGW-LMWSTFAQSA-N 1 0 249.354 2.074 10 0 BEAERO CCC[C@H](C)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000053486356 487611136 /nfs/dbraw/zinc/61/11/36/487611136.db2.gz YLHSIIRRISDYRI-XDQVBPFNSA-N 1 0 242.407 2.262 10 0 BEAERO Cc1cccc(C[N@H+](C)C[C@H]2CCC[C@@H](O)C2)n1 ZINC000386733515 487892919 /nfs/dbraw/zinc/89/29/19/487892919.db2.gz BGDCHCSEGQUMDH-DZGCQCFKSA-N 1 0 248.370 2.373 10 0 BEAERO C[C@H](CC[NH3+])Nc1nccc2ccccc21 ZINC000134269263 487976739 /nfs/dbraw/zinc/97/67/39/487976739.db2.gz ZCEYSAAZDGBBRE-SNVBAGLBSA-N 1 0 215.300 2.384 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)CCS1 ZINC000379465367 488138409 /nfs/dbraw/zinc/13/84/09/488138409.db2.gz HYFULEFTLFEMAA-UPJWGTAASA-N 1 0 243.416 2.365 10 0 BEAERO CCC1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085372476 488164299 /nfs/dbraw/zinc/16/42/99/488164299.db2.gz ZBHBOHFOAFOSSM-TUUUFIMRSA-N 1 0 238.375 2.199 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085371847 488164345 /nfs/dbraw/zinc/16/43/45/488164345.db2.gz WASMDZZHFZCBIZ-YUTCNCBUSA-N 1 0 246.354 2.300 10 0 BEAERO CO[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H](C)C1 ZINC000380027834 488168342 /nfs/dbraw/zinc/16/83/42/488168342.db2.gz FQRJEIVBKUFFNK-YIYPIFLZSA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000380095717 488174571 /nfs/dbraw/zinc/17/45/71/488174571.db2.gz OFXSKRQWWZARQP-AGIUHOORSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@H](CO)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000678044813 488179738 /nfs/dbraw/zinc/17/97/38/488179738.db2.gz HDAOWXBDVBECQY-QWRGUYRKSA-N 1 0 240.372 2.299 10 0 BEAERO C[C@H](NC(=O)CC[NH2+]C1CC1)c1cccs1 ZINC000037478333 488185325 /nfs/dbraw/zinc/18/53/25/488185325.db2.gz PSQPQNSCPQLCFX-VIFPVBQESA-N 1 0 238.356 2.067 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000054073533 488205779 /nfs/dbraw/zinc/20/57/79/488205779.db2.gz YNNZCHADZHXWMJ-RNFRBKRXSA-N 1 0 246.763 2.187 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC2(CCC2)CC1 ZINC000308690505 488214663 /nfs/dbraw/zinc/21/46/63/488214663.db2.gz FYZDTIIVOTWMPW-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCC1CCC1 ZINC000398491968 488217965 /nfs/dbraw/zinc/21/79/65/488217965.db2.gz YRSPHAJUNVFSRJ-ZDUSSCGKSA-N 1 0 211.349 2.414 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398773340 488223440 /nfs/dbraw/zinc/22/34/40/488223440.db2.gz HYATVBPRSMDOAP-ZDEQEGDKSA-N 1 0 211.349 2.124 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000037163967 490145967 /nfs/dbraw/zinc/14/59/67/490145967.db2.gz QYCFDFKNLCAOQB-NEPJUHHUSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000037163974 490145992 /nfs/dbraw/zinc/14/59/92/490145992.db2.gz QYCFDFKNLCAOQB-NWDGAFQWSA-N 1 0 241.281 2.358 10 0 BEAERO Cc1nn(C)cc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000235820285 490181584 /nfs/dbraw/zinc/18/15/84/490181584.db2.gz LFDAROREXICWTR-AWEZNQCLSA-N 1 0 227.311 2.342 10 0 BEAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cncnc2)C1(C)C ZINC000129949258 490183473 /nfs/dbraw/zinc/18/34/73/490183473.db2.gz XMKLHAIQMQRHAH-CHWSQXEVSA-N 1 0 249.358 2.112 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc(O)c1 ZINC000217671328 490480303 /nfs/dbraw/zinc/48/03/03/490480303.db2.gz NLWIZLHGCCNTIV-ZKYQVNSYSA-N 1 0 235.327 2.346 10 0 BEAERO CC1CCC(C[NH2+]CCc2cncn2C)CC1 ZINC000401888896 490588263 /nfs/dbraw/zinc/58/82/63/490588263.db2.gz VZQXGINTDOSGEQ-UHFFFAOYSA-N 1 0 235.375 2.379 10 0 BEAERO C[C@@H](CC1CCC1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000128779781 490591069 /nfs/dbraw/zinc/59/10/69/490591069.db2.gz NPYMQNIHUANIMB-NSHDSACASA-N 1 0 246.354 2.454 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000129031794 490597907 /nfs/dbraw/zinc/59/79/07/490597907.db2.gz NUCVPBDIFHYXFY-UTUOFQBUSA-N 1 0 226.364 2.007 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086929293 491065237 /nfs/dbraw/zinc/06/52/37/491065237.db2.gz DOENEUMWYMJDBD-CHWSQXEVSA-N 1 0 210.365 2.201 10 0 BEAERO Cc1cc(C(C)C)nc(NCC[C@H](C)[NH3+])n1 ZINC000229930015 491121296 /nfs/dbraw/zinc/12/12/96/491121296.db2.gz PMZXXTYPELSLTM-VIFPVBQESA-N 1 0 222.336 2.058 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000233303441 491121826 /nfs/dbraw/zinc/12/18/26/491121826.db2.gz ZLRAISBCGPSHIN-YPMHNXCESA-N 1 0 247.342 2.455 10 0 BEAERO OCCC[N@H+](C[C@@H]1Cc2ccccc21)C1CC1 ZINC000404313383 491127090 /nfs/dbraw/zinc/12/70/90/491127090.db2.gz RHPACKXKJKKDCR-ZDUSSCGKSA-N 1 0 231.339 2.173 10 0 BEAERO C[C@H](CC1CCC1)[NH2+]C1CCN(C)CC1 ZINC000132240274 491134853 /nfs/dbraw/zinc/13/48/53/491134853.db2.gz QULQTGHRZDPXCN-LLVKDONJSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cncs1 ZINC000132339609 491135238 /nfs/dbraw/zinc/13/52/38/491135238.db2.gz RAEGWEUXRQSAGP-NXEZZACHSA-N 1 0 226.345 2.363 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000309090155 491144528 /nfs/dbraw/zinc/14/45/28/491144528.db2.gz BWDRROSVBZHVQW-AVGNSLFASA-N 1 0 212.381 2.352 10 0 BEAERO CC[N@H+]1C[C@H](Nc2cccc(C)n2)[C@@H](C)C1 ZINC000309412597 491148844 /nfs/dbraw/zinc/14/88/44/491148844.db2.gz CATWNURORWCIFD-JQWIXIFHSA-N 1 0 219.332 2.142 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CS1 ZINC000309608637 491152327 /nfs/dbraw/zinc/15/23/27/491152327.db2.gz LZWMGHSKVKNDSL-VOAKCMCISA-N 1 0 243.416 2.410 10 0 BEAERO C[C@@H]1CC[C@]2(CCCN2CC(F)(F)F)C[NH2+]1 ZINC000757125205 582499832 /nfs/dbraw/zinc/49/98/32/582499832.db2.gz DFJYGFKYGROJQK-NXEZZACHSA-N 1 0 236.281 2.155 10 0 BEAERO CC[C@H](C)C(=O)c1nc(CNC)cs1 ZINC000757124864 582500299 /nfs/dbraw/zinc/50/02/99/582500299.db2.gz QKLHZMQLJHNAJJ-ZETCQYMHSA-N 1 0 212.318 2.091 10 0 BEAERO CCC1(CC)CC[NH2+][C@]2(CCCOCC2)O1 ZINC000757138639 582518740 /nfs/dbraw/zinc/51/87/40/582518740.db2.gz CWZXIFPITJJVSE-CYBMUJFWSA-N 1 0 227.348 2.452 10 0 BEAERO FC(F)(F)[C@@H]1CCC[C@@]2(C1)[NH2+]CCCO2 ZINC000757139955 582520050 /nfs/dbraw/zinc/52/00/50/582520050.db2.gz KERPATRLVUSXGW-RKDXNWHRSA-N 1 0 223.238 2.445 10 0 BEAERO CC(C)(C)[C@@H]1CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757143445 582523564 /nfs/dbraw/zinc/52/35/64/582523564.db2.gz XNGNUPXNESSOQA-WCQYABFASA-N 1 0 227.348 2.308 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757145348 582527518 /nfs/dbraw/zinc/52/75/18/582527518.db2.gz IILYLCOBYVLYNI-FZMZJTMJSA-N 1 0 239.359 2.308 10 0 BEAERO CC1(C)CCC2(CC1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757147728 582531394 /nfs/dbraw/zinc/53/13/94/582531394.db2.gz SRQWGIHEHQZLNG-CYBMUJFWSA-N 1 0 239.359 2.452 10 0 BEAERO [NH3+]C[C@@H]1CCN1Cc1ccc(Cl)c(F)c1 ZINC000757147991 582531896 /nfs/dbraw/zinc/53/18/96/582531896.db2.gz VAXREZOZBBNAEH-VIFPVBQESA-N 1 0 228.698 2.012 10 0 BEAERO CCC1(CC)C[NH2+][C@]2(COC(C)(C)C2)OC1 ZINC000757151786 582536232 /nfs/dbraw/zinc/53/62/32/582536232.db2.gz TVQWEDPHPILVTH-ZDUSSCGKSA-N 1 0 227.348 2.308 10 0 BEAERO CC[NH2+]C[C@@H](O)CSCc1ccc(Cl)o1 ZINC000757169009 582549946 /nfs/dbraw/zinc/54/99/46/582549946.db2.gz FGWYVRMPFCFPOY-MRVPVSSYSA-N 1 0 249.763 2.137 10 0 BEAERO CC[C@@H](C)[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265174 535566490 /nfs/dbraw/zinc/56/64/90/535566490.db2.gz DHBFMPPCHWETTO-GFCCVEGCSA-N 1 0 233.359 2.189 10 0 BEAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309615973 517415411 /nfs/dbraw/zinc/41/54/11/517415411.db2.gz NVWGOILUJDPQMY-SRVKXCTJSA-N 1 0 226.364 2.068 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087611790 518850719 /nfs/dbraw/zinc/85/07/19/518850719.db2.gz KYSSUBYNEALTEJ-GFCCVEGCSA-N 1 0 233.311 2.215 10 0 BEAERO CCCc1noc(NCCC[NH+](CC)CC)n1 ZINC000057353941 521592654 /nfs/dbraw/zinc/59/26/54/521592654.db2.gz JORPTLHOXIGWNF-UHFFFAOYSA-N 1 0 240.351 2.166 10 0 BEAERO CCC(CC)[C@H]([NH3+])c1noc(C(F)F)n1 ZINC000095532872 521618517 /nfs/dbraw/zinc/61/85/17/521618517.db2.gz VIUMCSMVIXWWPE-LURJTMIESA-N 1 0 219.235 2.443 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cccc(COC)c2)[C@@H](C)C1 ZINC000049713780 536378123 /nfs/dbraw/zinc/37/81/23/536378123.db2.gz SLZBFENQSHRRSY-GXTWGEPZSA-N 1 0 248.370 2.410 10 0 BEAERO CN1CC[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000238857298 523961715 /nfs/dbraw/zinc/96/17/15/523961715.db2.gz YSPYNRIBDIUMEQ-GHMZBOCLSA-N 1 0 210.708 2.044 10 0 BEAERO Cc1ccc(C(=O)NCCCCC[NH3+])c(C)c1 ZINC000079867986 526159666 /nfs/dbraw/zinc/15/96/66/526159666.db2.gz HFDWFHVSYDLQFA-UHFFFAOYSA-N 1 0 234.343 2.162 10 0 BEAERO C[NH2+]Cc1cccnc1N1CCCC[C@H]1C ZINC000051399344 536470868 /nfs/dbraw/zinc/47/08/68/536470868.db2.gz CXVGFXYYMWILHK-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO C[NH2+]Cc1cc(N2CC[C@H](C)C[C@H]2C)ccn1 ZINC000051748750 536468854 /nfs/dbraw/zinc/46/88/54/536468854.db2.gz JEWNBMXEJWMFOH-NWDGAFQWSA-N 1 0 233.359 2.426 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1N1CCSCC1 ZINC000037236486 536468952 /nfs/dbraw/zinc/46/89/52/536468952.db2.gz CGIAFQZOBVKRQS-UHFFFAOYSA-N 1 0 240.347 2.098 10 0 BEAERO [NH3+]CCCCCNC(=O)CC1CCCCC1 ZINC000070671065 527174507 /nfs/dbraw/zinc/17/45/07/527174507.db2.gz ZHSNNEGMFQFARN-UHFFFAOYSA-N 1 0 226.364 2.202 10 0 BEAERO COC[C@@H](C)[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000173983858 536550679 /nfs/dbraw/zinc/55/06/79/536550679.db2.gz SMXBTWSSHVBAFH-CHWSQXEVSA-N 1 0 248.370 2.235 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000214949213 535059204 /nfs/dbraw/zinc/05/92/04/535059204.db2.gz FCZRQKWTNYPHEB-AVGNSLFASA-N 1 0 240.391 2.301 10 0 BEAERO CC(C)(C)c1ccnc(N[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000261553425 535135253 /nfs/dbraw/zinc/13/52/53/535135253.db2.gz AJBKZGPOBBYRPK-MNOVXSKESA-N 1 0 248.374 2.313 10 0 BEAERO CC(C)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000252662137 535140772 /nfs/dbraw/zinc/14/07/72/535140772.db2.gz VBFKZBKDFGZFOU-OLZOCXBDSA-N 1 0 210.365 2.201 10 0 BEAERO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000170872508 535167479 /nfs/dbraw/zinc/16/74/79/535167479.db2.gz UOBIHOBQPZRFCX-GFCCVEGCSA-N 1 0 249.362 2.019 10 0 BEAERO CCCN(C(=O)C[C@H](C)C(C)C)[C@H]1CC[NH2+]C1 ZINC000178935201 535208573 /nfs/dbraw/zinc/20/85/73/535208573.db2.gz HDZVBSRUMZVRJA-STQMWFEESA-N 1 0 240.391 2.269 10 0 BEAERO CC/C=C/CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248635610 535231569 /nfs/dbraw/zinc/23/15/69/535231569.db2.gz VESYKDKXTBDXTG-OOPCZODUSA-N 1 0 208.349 2.123 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ccccn2)C1 ZINC000268211579 535260600 /nfs/dbraw/zinc/26/06/00/535260600.db2.gz IJHJWAWLBHONKL-VXGBXAGGSA-N 1 0 219.332 2.222 10 0 BEAERO CC[NH2+]Cc1ccc(N2C[C@H](C)C[C@H](C)C2)nn1 ZINC000051435696 535479566 /nfs/dbraw/zinc/47/95/66/535479566.db2.gz IMBSJLRIEYLBIR-TXEJJXNPSA-N 1 0 248.374 2.068 10 0 BEAERO CC[NH2+][C@H](C)CCN1CCN(C)c2ccccc21 ZINC000104277691 535507834 /nfs/dbraw/zinc/50/78/34/535507834.db2.gz JSZFOHJGPYGVMS-CYBMUJFWSA-N 1 0 247.386 2.331 10 0 BEAERO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1nnc[nH]1 ZINC000070646218 535536438 /nfs/dbraw/zinc/53/64/38/535536438.db2.gz YVEFSOZEOWJHEK-MNOVXSKESA-N 1 0 224.352 2.152 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC000176994816 535584238 /nfs/dbraw/zinc/58/42/38/535584238.db2.gz IXDJJPNZRQAHLU-LBPRGKRZSA-N 1 0 240.391 2.365 10 0 BEAERO CC[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164493438 535798511 /nfs/dbraw/zinc/79/85/11/535798511.db2.gz QCPSOWWFXIGLOT-BXUZGUMPSA-N 1 0 246.354 2.109 10 0 BEAERO CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000173758240 535812741 /nfs/dbraw/zinc/81/27/41/535812741.db2.gz OMPAAYDBFXWUNV-MNOVXSKESA-N 1 0 209.289 2.187 10 0 BEAERO CCc1nn(C)cc1C[NH2+]Cc1cccn1CC ZINC000168669783 535828139 /nfs/dbraw/zinc/82/81/39/535828139.db2.gz RTGLBQPLEIHTFV-UHFFFAOYSA-N 1 0 246.358 2.094 10 0 BEAERO C[NH+](C)CCN1CCCc2ccccc21 ZINC000001622061 535873550 /nfs/dbraw/zinc/87/35/50/535873550.db2.gz IVHOSOFUEVLNPA-UHFFFAOYSA-N 1 0 204.317 2.001 10 0 BEAERO CC[C@H]([NH2+]CC1(CCO)CCC1)C1CC1 ZINC000130979965 535897072 /nfs/dbraw/zinc/89/70/72/535897072.db2.gz UECUHKDNILVAHA-LBPRGKRZSA-N 1 0 211.349 2.317 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(CC)C1 ZINC000251863870 535942592 /nfs/dbraw/zinc/94/25/92/535942592.db2.gz OUHDEXDCASUPAF-AVGNSLFASA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000171508566 536063686 /nfs/dbraw/zinc/06/36/86/536063686.db2.gz UXLZFGKFJXJLNT-OLZOCXBDSA-N 1 0 240.391 2.221 10 0 BEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCSC ZINC000086929616 536162166 /nfs/dbraw/zinc/16/21/66/536162166.db2.gz PSSMYUISDWGELX-QWHCGFSZSA-N 1 0 242.432 2.298 10 0 BEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccon1 ZINC000251704296 536164341 /nfs/dbraw/zinc/16/43/41/536164341.db2.gz JDBBDSNCBMWHMA-KBPBESRZSA-N 1 0 249.358 2.123 10 0 BEAERO CCc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049708816 536185172 /nfs/dbraw/zinc/18/51/72/536185172.db2.gz USSBQXDTOFPEOU-RISCZKNCSA-N 1 0 218.344 2.423 10 0 BEAERO C[NH2+][C@@H](C)c1cnc(N2CCCCC2)nc1C ZINC000054962737 536351183 /nfs/dbraw/zinc/35/11/83/536351183.db2.gz HGBBKBFUOYSIPJ-JTQLQIEISA-N 1 0 234.347 2.056 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000049709850 536378422 /nfs/dbraw/zinc/37/84/22/536378422.db2.gz QLWCSHGWBJWXGL-NWDGAFQWSA-N 1 0 234.343 2.272 10 0 BEAERO COc1ccc(Cl)cc1N1CC[NH2+][C@@H](C)C1 ZINC000054348246 536567201 /nfs/dbraw/zinc/56/72/01/536567201.db2.gz CMNSWFLFMWHMDG-VIFPVBQESA-N 1 0 240.734 2.147 10 0 BEAERO COC1(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CCC1 ZINC000336187006 536629886 /nfs/dbraw/zinc/62/98/86/536629886.db2.gz KQLRZAYCBRPOBX-OLZOCXBDSA-N 1 0 239.359 2.199 10 0 BEAERO FC(F)(F)c1cccc([C@H]2COCC[NH2+]2)c1 ZINC000076136658 566281041 /nfs/dbraw/zinc/28/10/41/566281041.db2.gz ACXAOKYNNKWHDN-SNVBAGLBSA-N 1 0 231.217 2.366 10 0 BEAERO C[C@H]1Cc2nc(CC[NH3+])sc2[C@@H](C)C1 ZINC000082830176 566419907 /nfs/dbraw/zinc/41/99/07/566419907.db2.gz VICCQSCFIXJJNI-SFYZADRCSA-N 1 0 210.346 2.330 10 0 BEAERO CC(C)C(=O)N1c2ccccc2CCC[C@H]1C[NH3+] ZINC000725262726 566308974 /nfs/dbraw/zinc/30/89/74/566308974.db2.gz NOVYRLOVALGIFC-ZDUSSCGKSA-N 1 0 246.354 2.339 10 0 BEAERO CC[N@H+](CCOC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000216967148 588825731 /nfs/dbraw/zinc/82/57/31/588825731.db2.gz OPEJPMSBYDMHAN-TZMCWYRMSA-N 1 0 237.343 2.077 10 0 BEAERO CCCC[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757125650 582499943 /nfs/dbraw/zinc/49/99/43/582499943.db2.gz FFKPRNAUGXVDOJ-OLZOCXBDSA-N 1 0 210.365 2.393 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+][C@H](C1CC1)CCO2 ZINC000757138338 582517489 /nfs/dbraw/zinc/51/74/89/582517489.db2.gz BSDKYGOHGLYWFA-JTQLQIEISA-N 1 0 231.286 2.190 10 0 BEAERO CC[C@H]1CCC[C@@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757139361 582519784 /nfs/dbraw/zinc/51/97/84/582519784.db2.gz GRYHEHULPCLYJS-GXTWGEPZSA-N 1 0 239.359 2.309 10 0 BEAERO CC(C)(C)[C@@H]1CCO[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757141423 582521832 /nfs/dbraw/zinc/52/18/32/582521832.db2.gz PBRLTCCDXGICSJ-GWCFXTLKSA-N 1 0 227.348 2.306 10 0 BEAERO COc1ccc([C@@H]2CCO[C@H](C)[NH2+]2)cc1 ZINC000757143389 582523675 /nfs/dbraw/zinc/52/36/75/582523675.db2.gz WMRLINFWQQPDEE-SKDRFNHKSA-N 1 0 207.273 2.092 10 0 BEAERO C1C[C@@]2(CS1)[NH2+]CC1(CCCCC1)CO2 ZINC000757143724 582523883 /nfs/dbraw/zinc/52/38/83/582523883.db2.gz FGAYTPDXXACNRW-GFCCVEGCSA-N 1 0 227.373 2.390 10 0 BEAERO C[C@@H]1C[C@@H](C)OC2(CC(CF)(CF)C2)[NH2+]1 ZINC000757144686 582525398 /nfs/dbraw/zinc/52/53/98/582525398.db2.gz HBESDEZJIREZHZ-RKDXNWHRSA-N 1 0 219.275 2.189 10 0 BEAERO CC(C)[C@@H]1[NH2+][C@@]2(CCSC2)OCC1(C)C ZINC000757144792 582525315 /nfs/dbraw/zinc/52/53/15/582525315.db2.gz HISMWOVUOUALRJ-JQWIXIFHSA-N 1 0 229.389 2.490 10 0 BEAERO CC[C@H]1CCNC2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757147415 582531352 /nfs/dbraw/zinc/53/13/52/582531352.db2.gz SARXNMWQYRJENT-NSHDSACASA-N 1 0 240.391 2.412 10 0 BEAERO Cc1ccc(CN2CC[C@@H]2C[NH3+])c(Cl)c1 ZINC000757148018 582532253 /nfs/dbraw/zinc/53/22/53/582532253.db2.gz VSOMDXLNMZEWCG-LLVKDONJSA-N 1 0 224.735 2.181 10 0 BEAERO CCC1(CC)CC[NH2+][C@@]2(COC(C)(C)C2)O1 ZINC000757150219 582533749 /nfs/dbraw/zinc/53/37/49/582533749.db2.gz XICMVVCJNYCKTN-CYBMUJFWSA-N 1 0 227.348 2.450 10 0 BEAERO C[C@H]1CC(C)(C)O[C@@]2(CCCOCC2)[NH2+]1 ZINC000757153385 582537134 /nfs/dbraw/zinc/53/71/34/582537134.db2.gz VCLBKGRCFDYXFJ-CMPLNLGQSA-N 1 0 213.321 2.060 10 0 BEAERO Cc1cc(C[S@@](=O)C[C@H](C)[NH3+])ccc1Cl ZINC000757155962 582539620 /nfs/dbraw/zinc/53/96/20/582539620.db2.gz GFRFRPFJUHCTPQ-VFZGTOFNSA-N 1 0 245.775 2.244 10 0 BEAERO C[NH2+][C@H](COC)Cc1ccc(Cl)c(C)c1 ZINC000757157451 582541174 /nfs/dbraw/zinc/54/11/74/582541174.db2.gz LDWDFYVARHGEEA-NSHDSACASA-N 1 0 227.735 2.425 10 0 BEAERO Cc1cc(C[N@H+](C)CC(N)=S)ccc1Cl ZINC000757160570 582543992 /nfs/dbraw/zinc/54/39/92/582543992.db2.gz ROEAKEZNEOOYTC-UHFFFAOYSA-N 1 0 242.775 2.366 10 0 BEAERO COC[C@H](C[NH3+])SCc1ccc(Cl)o1 ZINC000757171555 582551444 /nfs/dbraw/zinc/55/14/44/582551444.db2.gz UUFKOWWDVWOGKL-QMMMGPOBSA-N 1 0 235.736 2.140 10 0 BEAERO C[NH2+][C@H](COC)CSCc1ccc(Cl)o1 ZINC000757172734 582552100 /nfs/dbraw/zinc/55/21/00/582552100.db2.gz YWUHOTHYKKGXCA-MRVPVSSYSA-N 1 0 249.763 2.401 10 0 BEAERO CC[C@@H]1CCC[C@@]2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000757217870 582562478 /nfs/dbraw/zinc/56/24/78/582562478.db2.gz KMGSTOHHLRMDPN-WZRBSPASSA-N 1 0 225.332 2.237 10 0 BEAERO CC(=O)c1cccc([C@@H]2CC[C@H]([NH3+])[C@@H](C)N2)c1 ZINC000757218556 582562810 /nfs/dbraw/zinc/56/28/10/582562810.db2.gz WFASCCHLKQNSFA-IIMNLJJBSA-N 1 0 232.327 2.030 10 0 BEAERO CC[C@@H]1CCCC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000400482685 582579224 /nfs/dbraw/zinc/57/92/24/582579224.db2.gz ZFDQZXSECLFGOR-MFKMUULPSA-N 1 0 219.332 2.351 10 0 BEAERO CCCC1(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000225561908 582584526 /nfs/dbraw/zinc/58/45/26/582584526.db2.gz JLCUFXBPUWFEJQ-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](c1ccccn1)CC2 ZINC000236044318 582636577 /nfs/dbraw/zinc/63/65/77/582636577.db2.gz ULLDCOPUYIYRAT-NSHDSACASA-N 1 0 214.272 2.143 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](c1cccnc1)CC2 ZINC000236044336 582636779 /nfs/dbraw/zinc/63/67/79/582636779.db2.gz OZTNZVJVLMKQTD-NSHDSACASA-N 1 0 214.272 2.143 10 0 BEAERO Fc1ccccc1[C@@H]1CCNc2[nH+]ccn21 ZINC000236169147 582640241 /nfs/dbraw/zinc/64/02/41/582640241.db2.gz AVSOIZXWXTUURA-NSHDSACASA-N 1 0 217.247 2.427 10 0 BEAERO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000235445619 582641781 /nfs/dbraw/zinc/64/17/81/582641781.db2.gz JWSQQIXHBHNZLR-CORIIIEPSA-N 1 0 231.339 2.483 10 0 BEAERO Fc1cccc([C@H]2CCNc3[nH+]ccn32)c1 ZINC000236231076 582642447 /nfs/dbraw/zinc/64/24/47/582642447.db2.gz IZCHKOVMARBJEL-LLVKDONJSA-N 1 0 217.247 2.427 10 0 BEAERO [NH3+][C@@H](CCc1ccccc1)c1ncccn1 ZINC000037467262 582674907 /nfs/dbraw/zinc/67/49/07/582674907.db2.gz DHHYWILQBBLDLS-LBPRGKRZSA-N 1 0 213.284 2.109 10 0 BEAERO Nc1[nH+]ccn1Cc1cccc(Cl)c1 ZINC000037483206 582674949 /nfs/dbraw/zinc/67/49/49/582674949.db2.gz WWYDTNRIOGDZSA-UHFFFAOYSA-N 1 0 207.664 2.167 10 0 BEAERO [NH3+]CC[C@H](O)c1cc(Cl)sc1Cl ZINC000236211006 582743099 /nfs/dbraw/zinc/74/30/99/582743099.db2.gz TXGNXQGNDHBUKY-YFKPBYRVSA-N 1 0 226.128 2.437 10 0 BEAERO CC(C)CC[N@H+](C[C@H](O)C1CC1)C1CC1 ZINC000113769463 588853753 /nfs/dbraw/zinc/85/37/53/588853753.db2.gz OYCKVSNNLUAOQU-ZDUSSCGKSA-N 1 0 211.349 2.268 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000393736917 582921534 /nfs/dbraw/zinc/92/15/34/582921534.db2.gz CLMBWRKXTQDPKU-ZWNOBZJWSA-N 1 0 222.332 2.018 10 0 BEAERO O=C1[C@H]([C@@H]2CCCCC[NH2+]2)CCC12CC2 ZINC000706578615 582960457 /nfs/dbraw/zinc/96/04/57/582960457.db2.gz DFHXGQPZKSGXIO-QWRGUYRKSA-N 1 0 207.317 2.278 10 0 BEAERO Cc1cnn(C)c1[C@@H]1[NH2+]CCc2sccc21 ZINC000709190149 582993339 /nfs/dbraw/zinc/99/33/39/582993339.db2.gz MXSIKCZLKANDIV-LLVKDONJSA-N 1 0 233.340 2.025 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1N1CC(C)(C)OC(C)(C)C1 ZINC000396624448 583086927 /nfs/dbraw/zinc/08/69/27/583086927.db2.gz DJUHUNRCNKYWRJ-NWDGAFQWSA-N 1 0 240.391 2.016 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1N1CCC(C)(C)CC1 ZINC000396731718 583089307 /nfs/dbraw/zinc/08/93/07/583089307.db2.gz YYKXVXKYSOGLMP-NEPJUHHUSA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@H](C(=O)[C@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000397689602 583106394 /nfs/dbraw/zinc/10/63/94/583106394.db2.gz WSUYOCPYDHCPRR-AXFHLTTASA-N 1 0 209.333 2.380 10 0 BEAERO CC[N@H+](CCOC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000216967133 583171114 /nfs/dbraw/zinc/17/11/14/583171114.db2.gz OPEJPMSBYDMHAN-GXTWGEPZSA-N 1 0 237.343 2.077 10 0 BEAERO COCC(C)(C)[NH2+]CCSC(F)(F)F ZINC000123425336 583205554 /nfs/dbraw/zinc/20/55/54/583205554.db2.gz AUFWRZXJSVNWRB-UHFFFAOYSA-N 1 0 231.283 2.254 10 0 BEAERO CC(=O)c1cccc(C2CC[NH2+]CC2)c1 ZINC000143617994 583924008 /nfs/dbraw/zinc/92/40/08/583924008.db2.gz ZHAZOKNIGPOQJC-UHFFFAOYSA-N 1 0 203.285 2.356 10 0 BEAERO C[C@H]1CC[C@H](C[NH2+]CCc2ccccc2)O1 ZINC000148375713 583924200 /nfs/dbraw/zinc/92/42/00/583924200.db2.gz FUYLEUHFYYUGOT-GXTWGEPZSA-N 1 0 219.328 2.386 10 0 BEAERO COc1cc(Cl)cc2c1OC[C@@H]([C@@H](C)[NH3+])C2 ZINC000675063385 584892833 /nfs/dbraw/zinc/89/28/33/584892833.db2.gz DYMRJLAMFPFMFO-APPZFPTMSA-N 1 0 241.718 2.247 10 0 BEAERO COc1cc(Cl)cc2c1OC[C@H]([C@@H](C)[NH3+])C2 ZINC000675063389 584892842 /nfs/dbraw/zinc/89/28/42/584892842.db2.gz DYMRJLAMFPFMFO-VXNVDRBHSA-N 1 0 241.718 2.247 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@H]2CCC[C@H]2C)n1 ZINC000300215267 585501568 /nfs/dbraw/zinc/50/15/68/585501568.db2.gz VJWYBHFFHDHSCJ-HLTSFMKQSA-N 1 0 209.293 2.035 10 0 BEAERO C[C@H](N1CCC[C@]12CCC[NH2+]C2)C(F)(F)F ZINC000757134224 586427206 /nfs/dbraw/zinc/42/72/06/586427206.db2.gz WVUMGHUBNKUGOC-UWVGGRQHSA-N 1 0 236.281 2.155 10 0 BEAERO CCC1CCC2(CC1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757151529 586428819 /nfs/dbraw/zinc/42/88/19/586428819.db2.gz ZPUNUEPLDHRCFF-ROKHWSDSSA-N 1 0 239.359 2.452 10 0 BEAERO CC1(C)CCC[C@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757153090 586429537 /nfs/dbraw/zinc/42/95/37/586429537.db2.gz WIVHREPIPDZYIA-ZDUSSCGKSA-N 1 0 225.332 2.062 10 0 BEAERO Cc1cc(C[S@](=O)CCC[NH3+])ccc1Cl ZINC000757159492 586430559 /nfs/dbraw/zinc/43/05/59/586430559.db2.gz OUYMKQJQPFYWLC-OAHLLOKOSA-N 1 0 245.775 2.246 10 0 BEAERO C[N@@H+]1CCC[C@H]1C(=O)c1c[nH]c2ccc(N)cc12 ZINC000757176159 586433502 /nfs/dbraw/zinc/43/35/02/586433502.db2.gz CCXZOEWUVRMDAQ-ZDUSSCGKSA-N 1 0 243.310 2.027 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CCCC2 ZINC000757184103 586433939 /nfs/dbraw/zinc/43/39/39/586433939.db2.gz JEMBKBDAEFJSED-SNVBAGLBSA-N 1 0 225.332 2.108 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CC(C)(C)C2 ZINC000757185250 586434197 /nfs/dbraw/zinc/43/41/97/586434197.db2.gz QQWZTAZJGORRPO-SNVBAGLBSA-N 1 0 239.359 2.354 10 0 BEAERO CC(C)(C)OC(=O)C=C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000757183478 586434208 /nfs/dbraw/zinc/43/42/08/586434208.db2.gz CLRMHVXMHXLSNU-PHIMTYICSA-N 1 0 223.316 2.169 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CC(C)(C)C2 ZINC000757185248 586434233 /nfs/dbraw/zinc/43/42/33/586434233.db2.gz QQWZTAZJGORRPO-JTQLQIEISA-N 1 0 239.359 2.354 10 0 BEAERO CCc1cncc(SCC[C@H](C)[NH3+])c1 ZINC000757207910 586438021 /nfs/dbraw/zinc/43/80/21/586438021.db2.gz CPICRGJEAXSENX-VIFPVBQESA-N 1 0 210.346 2.473 10 0 BEAERO C[C@H]1C[NH2+]CC[C@H]1c1cccc(C=O)c1 ZINC000757208044 586438096 /nfs/dbraw/zinc/43/80/96/586438096.db2.gz CCNZRDFIVIPZKG-GXFFZTMASA-N 1 0 203.285 2.212 10 0 BEAERO C[C@@H]1CC[C@@H](N)[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757212971 586439331 /nfs/dbraw/zinc/43/93/31/586439331.db2.gz KPHPZTYJGWHIOV-GAJTVXKRSA-N 1 0 229.327 2.308 10 0 BEAERO CC(=O)c1cccc([C@@H]2N[C@H](C)CC[C@@H]2[NH3+])c1 ZINC000757212298 586439472 /nfs/dbraw/zinc/43/94/72/586439472.db2.gz HXFJYGIDPXQBIF-IIMNLJJBSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@H]1C[C@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757212844 586439670 /nfs/dbraw/zinc/43/96/70/586439670.db2.gz JZYQSSCSLICQNX-DTWKUNHWSA-N 1 0 209.314 2.416 10 0 BEAERO CC(C)(C)OC(=O)NC[C@]12CC[C@H](C1)CC[NH2+]2 ZINC000757214387 586440137 /nfs/dbraw/zinc/44/01/37/586440137.db2.gz SDWXIJQPHGQTQI-GWCFXTLKSA-N 1 0 240.347 2.043 10 0 BEAERO C[C@@H]1C[C@@H](c2cccc(C=O)c2)CC[NH2+]1 ZINC000757215166 586440192 /nfs/dbraw/zinc/44/01/92/586440192.db2.gz MSHMKSPJSRIZDJ-MFKMUULPSA-N 1 0 203.285 2.355 10 0 BEAERO C[C@H]1CC[C@H](c2cccc(C=O)c2)C[NH2+]1 ZINC000757215338 586440702 /nfs/dbraw/zinc/44/07/02/586440702.db2.gz NDILJHGBSQBBFA-GWCFXTLKSA-N 1 0 203.285 2.355 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1CCC[NH2+][C@@H]1C ZINC000757229249 586442581 /nfs/dbraw/zinc/44/25/81/586442581.db2.gz DOEVLMJUIDYDFA-ZYHUDNBSSA-N 1 0 204.317 2.433 10 0 BEAERO C[NH2+]CCCOc1ccc(C2=CCOCC2)cc1 ZINC000757569054 586462491 /nfs/dbraw/zinc/46/24/91/586462491.db2.gz VHVVAAAIOVTOBV-UHFFFAOYSA-N 1 0 247.338 2.479 10 0 BEAERO CC(C)[N@@H+]1CCC=C(c2ccc(C(N)=O)cc2)C1 ZINC000757572678 586463022 /nfs/dbraw/zinc/46/30/22/586463022.db2.gz SNZJPWSQYMBDIR-UHFFFAOYSA-N 1 0 244.338 2.283 10 0 BEAERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000117101495 589074500 /nfs/dbraw/zinc/07/45/00/589074500.db2.gz SSIYTEZJZWJGLY-AWEZNQCLSA-N 1 0 245.322 2.214 10 0 BEAERO C[C@@H]1C[N@H+](CC2(O)CCCCC2)CC(C)(C)O1 ZINC000106383869 588269471 /nfs/dbraw/zinc/26/94/71/588269471.db2.gz JODNHWGHBMXKRX-GFCCVEGCSA-N 1 0 241.375 2.181 10 0 BEAERO C[C@H](C[NH+]1CCCC1)OC(=O)/C=C\c1ccco1 ZINC000847848819 588337006 /nfs/dbraw/zinc/33/70/06/588337006.db2.gz WBVUULMKYNVCAE-ZHRWSRJISA-N 1 0 249.310 2.320 10 0 BEAERO CC(=O)CC[N@@H+](C)CCN(C)c1ccccc1 ZINC000107681657 588398630 /nfs/dbraw/zinc/39/86/30/588398630.db2.gz SAAWIYUMUVOWHI-UHFFFAOYSA-N 1 0 234.343 2.034 10 0 BEAERO Cc1ccccc1-c1noc(CC[C@H](C)[NH3+])n1 ZINC000109493767 588563822 /nfs/dbraw/zinc/56/38/22/588563822.db2.gz DNSZHRMIJJFWJG-JTQLQIEISA-N 1 0 231.299 2.325 10 0 BEAERO C[C@@H]1CC[C@@H](C)[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120787328 589466110 /nfs/dbraw/zinc/46/61/10/589466110.db2.gz HQLAMEJYLORRFP-IJLUTSLNSA-N 1 0 225.332 2.060 10 0 BEAERO O[C@@H](C[NH2+][C@H]1CSc2ccccc21)C1CC1 ZINC000123557946 589752519 /nfs/dbraw/zinc/75/25/19/589752519.db2.gz ZISYMJHAVGVRGG-RYUDHWBXSA-N 1 0 235.352 2.194 10 0 BEAERO CC[NH+](CC)C[C@H](O)c1ccccc1C ZINC000019784812 589978764 /nfs/dbraw/zinc/97/87/64/589978764.db2.gz YIMXNOHUYDEAAZ-ZDUSSCGKSA-N 1 0 207.317 2.370 10 0 BEAERO CCCC[NH2+]C[C@H](c1ccco1)N(C)C ZINC000020122354 590076497 /nfs/dbraw/zinc/07/64/97/590076497.db2.gz HNISRZWZGOHFLS-LLVKDONJSA-N 1 0 210.321 2.272 10 0 BEAERO CC(C)[C@H](O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000124922447 590102245 /nfs/dbraw/zinc/10/22/45/590102245.db2.gz HUKUQEBNXJDWOH-CHWSQXEVSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000020364212 590104830 /nfs/dbraw/zinc/10/48/30/590104830.db2.gz MMCKBFXELFGFLY-CHWSQXEVSA-N 1 0 248.370 2.122 10 0 BEAERO CSCC[C@@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000125025767 590114418 /nfs/dbraw/zinc/11/44/18/590114418.db2.gz IBSZBOWCZXYWSJ-SECBINFHSA-N 1 0 240.372 2.327 10 0 BEAERO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccoc1 ZINC000125106948 590120796 /nfs/dbraw/zinc/12/07/96/590120796.db2.gz AYSIUOQAAZHXGA-NSHDSACASA-N 1 0 211.305 2.166 10 0 BEAERO COC(C[NH2+][C@@H]1CCCC[C@H]1C(C)C)OC ZINC000125689360 590181756 /nfs/dbraw/zinc/18/17/56/590181756.db2.gz UPSAHLKAIDNWGI-NWDGAFQWSA-N 1 0 229.364 2.410 10 0 BEAERO CC[C@@H]([NH2+]Cc1ccoc1)[C@H]1CCCO1 ZINC000126312513 590272784 /nfs/dbraw/zinc/27/27/84/590272784.db2.gz VQYBROFGLVJERR-VXGBXAGGSA-N 1 0 209.289 2.327 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1occc1C ZINC000126732709 590429157 /nfs/dbraw/zinc/42/91/57/590429157.db2.gz RFVVJPSIOZYWHJ-WDEREUQCSA-N 1 0 209.289 2.245 10 0 BEAERO Nc1cc[nH+]cc1C(=O)NCCC1CCCCC1 ZINC000127309580 590617429 /nfs/dbraw/zinc/61/74/29/590617429.db2.gz UKKQKMNWCXTFGW-UHFFFAOYSA-N 1 0 247.342 2.364 10 0 BEAERO CC[C@@H](C[NH2+][C@@H]1CCCSC1)N1CCCC1 ZINC000128242639 590949980 /nfs/dbraw/zinc/94/99/80/590949980.db2.gz ZWAAHAQILSCEIP-OLZOCXBDSA-N 1 0 242.432 2.346 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCCCCC1 ZINC000128885560 591175451 /nfs/dbraw/zinc/17/54/51/591175451.db2.gz HNDDHRQWHZCEQY-LBPRGKRZSA-N 1 0 226.364 2.153 10 0 BEAERO CCSCC[NH2+]C[C@@H](C)N1CCCCC1 ZINC000128928647 591187959 /nfs/dbraw/zinc/18/79/59/591187959.db2.gz DYUWNYLYVNEAAC-GFCCVEGCSA-N 1 0 230.421 2.204 10 0 BEAERO Cc1ccc(-c2cnn(CC[NH3+])c2)cc1Cl ZINC000211568235 591201593 /nfs/dbraw/zinc/20/15/93/591201593.db2.gz QWSJVOXANVCBQM-UHFFFAOYSA-N 1 0 235.718 2.471 10 0 BEAERO CSCCCCNC(=[NH2+])NC(C)(C)C ZINC000129538733 591321645 /nfs/dbraw/zinc/32/16/45/591321645.db2.gz RMWLHYYSINWUDY-UHFFFAOYSA-N 1 0 217.382 2.042 10 0 BEAERO CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000213132562 591448606 /nfs/dbraw/zinc/44/86/06/591448606.db2.gz FVPCTJPPLWCRAK-FRRDWIJNSA-N 1 0 238.375 2.295 10 0 BEAERO CCC(=CC(=O)N1CCCC[C@H]1C[NH3+])CC ZINC000130929226 591536710 /nfs/dbraw/zinc/53/67/10/591536710.db2.gz KNBNONCUVUBWDC-LBPRGKRZSA-N 1 0 224.348 2.073 10 0 BEAERO COC(=O)/C(C)=C\C[N@@H+]1CCCCC[C@H]1C ZINC000214563790 591634776 /nfs/dbraw/zinc/63/47/76/591634776.db2.gz AKRFPAJHWURNSC-NXIHDVOMSA-N 1 0 225.332 2.370 10 0 BEAERO C([NH2+][C@@H]1CCCSC1)[C@H]1CSCCS1 ZINC000131700884 591642788 /nfs/dbraw/zinc/64/27/88/591642788.db2.gz PYBDOTMYGSILOB-ZJUUUORDSA-N 1 0 249.470 2.320 10 0 BEAERO C[C@H](CCO)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000132968002 591751941 /nfs/dbraw/zinc/75/19/41/591751941.db2.gz IFQDAVUKGGYCCO-SECBINFHSA-N 1 0 242.388 2.301 10 0 BEAERO CCCCCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000133111488 591766344 /nfs/dbraw/zinc/76/63/44/591766344.db2.gz HSLZEHGCBVBIJX-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCC(C)=O ZINC000133435074 591792188 /nfs/dbraw/zinc/79/21/88/591792188.db2.gz IQMAZMXZEPTFDA-QWHCGFSZSA-N 1 0 241.375 2.491 10 0 BEAERO C[C@@H]([NH2+]CC[S@](C)=O)c1cccc(Cl)c1 ZINC000133820727 591862716 /nfs/dbraw/zinc/86/27/16/591862716.db2.gz HUVOPEBUIBDSSJ-RFAUZJTJSA-N 1 0 245.775 2.369 10 0 BEAERO CC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000215175009 591928920 /nfs/dbraw/zinc/92/89/20/591928920.db2.gz ZIHVNDAIFFWKRY-CYBMUJFWSA-N 1 0 203.285 2.356 10 0 BEAERO CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CCCSC1 ZINC000134815431 591951865 /nfs/dbraw/zinc/95/18/65/591951865.db2.gz UJSMXKWHGJHKPW-MNOVXSKESA-N 1 0 231.405 2.269 10 0 BEAERO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCCSC2)[nH]n1 ZINC000134815093 591951935 /nfs/dbraw/zinc/95/19/35/591951935.db2.gz SROYGDHEUJVUEA-MWLCHTKSSA-N 1 0 239.388 2.134 10 0 BEAERO CC[C@@H](O)CCC[NH2+][C@@H]1CCCSC1 ZINC000134812547 591952050 /nfs/dbraw/zinc/95/20/50/591952050.db2.gz NTAYVWHZHKMAHS-GHMZBOCLSA-N 1 0 217.378 2.023 10 0 BEAERO Cc1cnc([C@H](C)Nc2cc(C)[nH+]c(N)n2)s1 ZINC000134931083 591962078 /nfs/dbraw/zinc/96/20/78/591962078.db2.gz DLNWVTPGBHRXEY-QMMMGPOBSA-N 1 0 249.343 2.305 10 0 BEAERO CC[C@@](C)(O)C[NH2+]Cc1cncc2ccccc21 ZINC000135378712 592010664 /nfs/dbraw/zinc/01/06/64/592010664.db2.gz GWDHVCIONRKLSD-OAHLLOKOSA-N 1 0 244.338 2.485 10 0 BEAERO C[C@@H](CCO)[NH2+]Cc1cncc2ccccc21 ZINC000135379886 592010718 /nfs/dbraw/zinc/01/07/18/592010718.db2.gz SIIQFOACMZLHQK-NSHDSACASA-N 1 0 230.311 2.095 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cnccc1C ZINC000135458233 592012118 /nfs/dbraw/zinc/01/21/18/592012118.db2.gz WXWDCELNKFPXSL-STQMWFEESA-N 1 0 220.316 2.047 10 0 BEAERO C[C@H]1CN(Cc2cncc3ccccc32)CC[NH2+]1 ZINC000135632950 592026618 /nfs/dbraw/zinc/02/66/18/592026618.db2.gz BDFQQXJGHDXTQQ-LBPRGKRZSA-N 1 0 241.338 2.029 10 0 BEAERO C[C@@H]1C[C@@H](CCNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000217120779 592099670 /nfs/dbraw/zinc/09/96/70/592099670.db2.gz IAIZJKYUFUMGRL-GHMZBOCLSA-N 1 0 242.363 2.289 10 0 BEAERO C[C@H]1C[C@H](CCNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000217120766 592100132 /nfs/dbraw/zinc/10/01/32/592100132.db2.gz IAIZJKYUFUMGRL-QWRGUYRKSA-N 1 0 242.363 2.289 10 0 BEAERO C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C(C)(C)C ZINC000136188479 592100672 /nfs/dbraw/zinc/10/06/72/592100672.db2.gz UUFLPVNNAAWZPA-RISCZKNCSA-N 1 0 240.391 2.317 10 0 BEAERO Cc1cc(F)cc(-c2nc([C@H](C)C[NH3+])no2)c1 ZINC000136952898 592153655 /nfs/dbraw/zinc/15/36/55/592153655.db2.gz JOURUUQXJWOHCU-MRVPVSSYSA-N 1 0 235.262 2.246 10 0 BEAERO C[C@H](C[NH2+]CCc1ccccc1)N(C)C1CC1 ZINC000221112181 592397948 /nfs/dbraw/zinc/39/79/48/592397948.db2.gz PQXOIJULORHCMB-CYBMUJFWSA-N 1 0 232.371 2.301 10 0 BEAERO FC1(F)CC[C@H](c2noc([C@H]3CCC[NH2+]3)n2)C1 ZINC000302392737 592547958 /nfs/dbraw/zinc/54/79/58/592547958.db2.gz POTMBQVYXRLKIB-JGVFFNPUSA-N 1 0 243.257 2.397 10 0 BEAERO C(CC1CC[NH2+]CC1)c1nc(CC2CCC2)no1 ZINC000302648938 592551505 /nfs/dbraw/zinc/55/15/05/592551505.db2.gz YCMAUDOGKXUTFM-UHFFFAOYSA-N 1 0 249.358 2.344 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCc2cccnc21)[C@H]1CCCO1 ZINC000299930353 634401793 /nfs/dbraw/zinc/40/17/93/634401793.db2.gz YTLRHYWYSHSMAD-CYZMBNFOSA-N 1 0 232.327 2.226 10 0 BEAERO [NH3+]CC[C@@H]1CCN(c2nc3ccccc3o2)C1 ZINC000125463283 634508535 /nfs/dbraw/zinc/50/85/35/634508535.db2.gz MLVYJFNBENWARA-SNVBAGLBSA-N 1 0 231.299 2.003 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000335914089 634547789 /nfs/dbraw/zinc/54/77/89/634547789.db2.gz TVUXZKXNQZNDON-KOLCDFICSA-N 1 0 207.321 2.421 10 0 BEAERO C[C@@H]([NH3+])Cc1nc(-c2ccc(Cl)s2)no1 ZINC000258056612 634555041 /nfs/dbraw/zinc/55/50/41/634555041.db2.gz PKPVXFVQSLTMCP-RXMQYKEDSA-N 1 0 243.719 2.341 10 0 BEAERO COc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H](C)O ZINC000336664618 635199112 /nfs/dbraw/zinc/19/91/12/635199112.db2.gz CUYPEUCTMHJMQN-VGMNWLOBSA-N 1 0 229.345 2.177 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)O)cc1C ZINC000336766943 635284364 /nfs/dbraw/zinc/28/43/64/635284364.db2.gz SOZSSVKPMRISMS-VXGBXAGGSA-N 1 0 207.317 2.162 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)[C@H]1CCSC1 ZINC000054026427 635327712 /nfs/dbraw/zinc/32/77/12/635327712.db2.gz QMOWXDMAYLIFSQ-JTQLQIEISA-N 1 0 229.389 2.429 10 0 BEAERO CC[N@H+](CCC(=O)C(C)(C)C)C[C@H]1CCCO1 ZINC000054026573 635329025 /nfs/dbraw/zinc/32/90/25/635329025.db2.gz TVAUBNMYZOCELI-GFCCVEGCSA-N 1 0 241.375 2.493 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000225473658 635409708 /nfs/dbraw/zinc/40/97/08/635409708.db2.gz RASMHTDVYNCSRK-DJLDLDEBSA-N 1 0 221.304 2.178 10 0 BEAERO CC1(C)C[C@@H]1c1noc(CCCCC[NH3+])n1 ZINC000232867376 635517115 /nfs/dbraw/zinc/51/71/15/635517115.db2.gz WEWPQOUJFGYGLB-SECBINFHSA-N 1 0 223.320 2.255 10 0 BEAERO [NH3+]C[C@H](Nc1cncc(Cl)n1)C1CCCC1 ZINC000236235316 635597652 /nfs/dbraw/zinc/59/76/52/635597652.db2.gz BCCNCGFKUPHZOZ-VIFPVBQESA-N 1 0 240.738 2.059 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](CCCCF)C1 ZINC000308533429 631421348 /nfs/dbraw/zinc/42/13/48/631421348.db2.gz LMYHMMSLMXWXBO-LLVKDONJSA-N 1 0 201.285 2.037 10 0 BEAERO Clc1ccc(Cl)c(COC2C[NH2+]C2)c1 ZINC000083698718 631427722 /nfs/dbraw/zinc/42/77/22/631427722.db2.gz CHVHWGAWWNDLSS-UHFFFAOYSA-N 1 0 232.110 2.482 10 0 BEAERO CC[C@@H]([NH2+]CC[S@](=O)CC)C(C)(C)C ZINC000308726259 631554954 /nfs/dbraw/zinc/55/49/54/631554954.db2.gz GRNVDSIRYUGIHX-QMTHXVAHSA-N 1 0 219.394 2.169 10 0 BEAERO C[NH2+][C@@H](C)CNC(=O)C1CCCCCCC1 ZINC000234415570 631511895 /nfs/dbraw/zinc/51/18/95/631511895.db2.gz TZEXCUUORLERJC-NSHDSACASA-N 1 0 226.364 2.071 10 0 BEAERO Cc1ccc(COC2C[NH2+]C2)c(Cl)c1 ZINC000235908254 631527523 /nfs/dbraw/zinc/52/75/23/631527523.db2.gz LNVZZHVGZZXCBO-UHFFFAOYSA-N 1 0 211.692 2.137 10 0 BEAERO Cc1cc2c(ncnc2NCC2CC([NH3+])C2)s1 ZINC000091537941 631541082 /nfs/dbraw/zinc/54/10/82/631541082.db2.gz FWSAQMGHXJSILS-UHFFFAOYSA-N 1 0 248.355 2.149 10 0 BEAERO COC1CC([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000308907396 631723849 /nfs/dbraw/zinc/72/38/49/631723849.db2.gz CWIKWUWYITZQHH-YYJSSNLHSA-N 1 0 215.312 2.282 10 0 BEAERO COC1CC([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000308960431 631769634 /nfs/dbraw/zinc/76/96/34/631769634.db2.gz RUNUSWWIZDTYDJ-TUUUFIMRSA-N 1 0 209.333 2.332 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000309029786 631804029 /nfs/dbraw/zinc/80/40/29/631804029.db2.gz CYMCUUANCRGYAQ-SQNXGDPESA-N 1 0 211.349 2.338 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309051065 631824446 /nfs/dbraw/zinc/82/44/46/631824446.db2.gz RDRRRVRGOCTETH-NAKRPEOUSA-N 1 0 231.405 2.266 10 0 BEAERO COc1ccccc1C[N@H+](C)CCC(C)=O ZINC000047979704 631850870 /nfs/dbraw/zinc/85/08/70/631850870.db2.gz AZWVRPWENQIMJN-UHFFFAOYSA-N 1 0 221.300 2.106 10 0 BEAERO CCCCC[C@@H](C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000178702608 632037668 /nfs/dbraw/zinc/03/76/68/632037668.db2.gz XGNAGSREQDEMJQ-VXGBXAGGSA-N 1 0 228.380 2.446 10 0 BEAERO FC(F)C1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000308878310 632064822 /nfs/dbraw/zinc/06/48/22/632064822.db2.gz ORZDNKZEYCCDPC-RTBKNWGFSA-N 1 0 219.275 2.189 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000161573235 632089516 /nfs/dbraw/zinc/08/95/16/632089516.db2.gz WRBKZXDUTWJTIN-AAEUAGOBSA-N 1 0 239.359 2.450 10 0 BEAERO Cc1cccc(-c2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158769 635776291 /nfs/dbraw/zinc/77/62/91/635776291.db2.gz MIUAJSYAYKXBSS-VIFPVBQESA-N 1 0 217.272 2.107 10 0 BEAERO C[C@@H](C[NH3+])c1noc([C@H]2CC[C@@H](C)C2)n1 ZINC000309515131 632433763 /nfs/dbraw/zinc/43/37/63/632433763.db2.gz YLINHCBBPWCJQI-VGMNWLOBSA-N 1 0 209.293 2.035 10 0 BEAERO CC[C@@H]([NH2+]Cc1cn(C)cn1)C(C)(C)C ZINC000308922317 632449923 /nfs/dbraw/zinc/44/99/23/632449923.db2.gz HJASDEQVPPLELS-LLVKDONJSA-N 1 0 209.337 2.334 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000308933289 632514821 /nfs/dbraw/zinc/51/48/21/632514821.db2.gz OQDSEZCVVITHLG-LBPRGKRZSA-N 1 0 215.312 2.427 10 0 BEAERO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)O)c1C ZINC000309043855 632624962 /nfs/dbraw/zinc/62/49/62/632624962.db2.gz MZQVJTRSKQLUTJ-VXGBXAGGSA-N 1 0 207.317 2.162 10 0 BEAERO CCCc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)cc1 ZINC000309663651 632626679 /nfs/dbraw/zinc/62/66/79/632626679.db2.gz SJHNUUICXQJGKH-NWDGAFQWSA-N 1 0 221.344 2.498 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C ZINC000309087188 632634206 /nfs/dbraw/zinc/63/42/06/632634206.db2.gz ZETCQOBAKJAGLD-NDBYEHHHSA-N 1 0 211.349 2.436 10 0 BEAERO C/C=C\C[C@@H](CO)[NH2+]CCc1ccccc1 ZINC000309966047 632688437 /nfs/dbraw/zinc/68/84/37/632688437.db2.gz NNRJKZKBMAENMI-SFAKSCPVSA-N 1 0 219.328 2.146 10 0 BEAERO CCC1(c2nc(C[C@H]3CCC[NH2+]C3)no2)CC1 ZINC000310294499 632716760 /nfs/dbraw/zinc/71/67/60/632716760.db2.gz OONJAZWPEDJLJL-SNVBAGLBSA-N 1 0 235.331 2.053 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@@H](C)c2ccccc2)n1 ZINC000235453386 632742293 /nfs/dbraw/zinc/74/22/93/632742293.db2.gz NRJSHGRXWGQGJU-ZJUUUORDSA-N 1 0 231.299 2.284 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cnc2ccccc2c1 ZINC000310967426 633037778 /nfs/dbraw/zinc/03/77/78/633037778.db2.gz VDMCRXYMDIUQBS-RISCZKNCSA-N 1 0 241.338 2.156 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000309459638 633091568 /nfs/dbraw/zinc/09/15/68/633091568.db2.gz NMNZZFMMSCQPLF-NEPJUHHUSA-N 1 0 227.348 2.308 10 0 BEAERO CC[C@@H]1CCC[C@]2(C[NH2+]C[C@@H]2C(=O)OC)CC1 ZINC000166439021 633114188 /nfs/dbraw/zinc/11/41/88/633114188.db2.gz MMFMQBKUUVYOQO-YRGRVCCFSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]CC12CCCCCCC2 ZINC000166531707 633115683 /nfs/dbraw/zinc/11/56/83/633115683.db2.gz PTWTYJQVCSVPDZ-GFCCVEGCSA-N 1 0 239.359 2.500 10 0 BEAERO CC(C)(C)SCCn1cc(C(C)(C)[NH3+])nn1 ZINC000304425738 635940846 /nfs/dbraw/zinc/94/08/46/635940846.db2.gz QCIMQHGXZPHFLK-UHFFFAOYSA-N 1 0 242.392 2.004 10 0 BEAERO CCC[NH2+][C@H](C)c1nc(CC2CCC2)no1 ZINC000304677257 635947503 /nfs/dbraw/zinc/94/75/03/635947503.db2.gz YCNIBAHRDQBPJK-SECBINFHSA-N 1 0 223.320 2.473 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2c(C)noc2C)C1 ZINC000328177719 633734274 /nfs/dbraw/zinc/73/42/74/633734274.db2.gz LQNFNEPSCRABKM-JOYOIKCWSA-N 1 0 237.347 2.036 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CCC[C@H](SC)C2)C1 ZINC000328385354 633761145 /nfs/dbraw/zinc/76/11/45/633761145.db2.gz WKXOLIJBLGORHK-AVGNSLFASA-N 1 0 242.432 2.344 10 0 BEAERO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccs1 ZINC000328417117 633762757 /nfs/dbraw/zinc/76/27/57/633762757.db2.gz IPZSRTOWWMBTJY-FRVSTRGASA-N 1 0 248.395 2.395 10 0 BEAERO COC1CC([NH2+][C@@H]2CS[C@H](C(C)C)C2)C1 ZINC000308969152 633838435 /nfs/dbraw/zinc/83/84/35/633838435.db2.gz XYEQNASXVICAFC-ADPBJBESSA-N 1 0 229.389 2.284 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000309903114 633920425 /nfs/dbraw/zinc/92/04/25/633920425.db2.gz ITQGUYMAASVVEV-IGQOVBAYSA-N 1 0 224.392 2.351 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000309952622 633976059 /nfs/dbraw/zinc/97/60/59/633976059.db2.gz GVZFCTHEPQVLKX-CIUDSAMLSA-N 1 0 229.270 2.385 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000309980035 634019355 /nfs/dbraw/zinc/01/93/55/634019355.db2.gz VTHHFJJSXNZRGG-AFWXGSBKSA-N 1 0 239.281 2.466 10 0 BEAERO CCC[C@@](C)(CO)[NH2+]CCc1ccccc1 ZINC000310008183 634063300 /nfs/dbraw/zinc/06/33/00/634063300.db2.gz HOVVMXHXSRXRGW-AWEZNQCLSA-N 1 0 221.344 2.370 10 0 BEAERO C[C@@H]1CCC[N@H+](CCNCc2ccoc2)C1 ZINC000053343792 634169975 /nfs/dbraw/zinc/16/99/75/634169975.db2.gz AROLQNDSZNTFSO-GFCCVEGCSA-N 1 0 222.332 2.101 10 0 BEAERO CCCC[N@H+](C)CCNCc1ccoc1 ZINC000053345033 634170225 /nfs/dbraw/zinc/17/02/25/634170225.db2.gz NMEHSMZTLRUIJX-UHFFFAOYSA-N 1 0 210.321 2.101 10 0 BEAERO c1cc(C[NH2+]CCN2CCc3ccccc32)co1 ZINC000053344381 634171002 /nfs/dbraw/zinc/17/10/02/634171002.db2.gz KLQJTPNNFAFACL-UHFFFAOYSA-N 1 0 242.322 2.432 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000053534460 634229495 /nfs/dbraw/zinc/22/94/95/634229495.db2.gz ONEYDZJHTXHULK-CHWSQXEVSA-N 1 0 221.348 2.360 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000123358819 634236662 /nfs/dbraw/zinc/23/66/62/634236662.db2.gz GHSSGMGADNAHAK-SFYZADRCSA-N 1 0 243.294 2.397 10 0 BEAERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)[C@H](C)O ZINC000336764591 634250988 /nfs/dbraw/zinc/25/09/88/634250988.db2.gz QGXQKSIZZBTQHN-SFYZADRCSA-N 1 0 231.698 2.338 10 0 BEAERO C(COC1CCOCC1)[NH2+]C1CCCCCC1 ZINC000053591113 634256749 /nfs/dbraw/zinc/25/67/49/634256749.db2.gz QQGLTOJOYXAORS-UHFFFAOYSA-N 1 0 241.375 2.494 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)C(C)(C)C ZINC000162746300 634331595 /nfs/dbraw/zinc/33/15/95/634331595.db2.gz KRQWSHHYSYGRQD-WDEREUQCSA-N 1 0 228.380 2.158 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000308973520 635134011 /nfs/dbraw/zinc/13/40/11/635134011.db2.gz ANEBVNFIBYCSEU-YRRQLQLVSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000308973514 635134118 /nfs/dbraw/zinc/13/41/18/635134118.db2.gz ANEBVNFIBYCSEU-UKJIMTQDSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccoc1 ZINC000162905689 635177135 /nfs/dbraw/zinc/17/71/35/635177135.db2.gz BVSANWJYIKVISR-TZMCWYRMSA-N 1 0 234.343 2.338 10 0 BEAERO [NH3+]C1CC(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000258716021 635192521 /nfs/dbraw/zinc/19/25/21/635192521.db2.gz LHDYNTXHNXYHRJ-UHFFFAOYSA-N 1 0 224.691 2.016 10 0 BEAERO COc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H](C)O ZINC000336664615 635198938 /nfs/dbraw/zinc/19/89/38/635198938.db2.gz CUYPEUCTMHJMQN-HRDYMLBCSA-N 1 0 229.345 2.177 10 0 BEAERO Cc1ncccc1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000105436393 635237049 /nfs/dbraw/zinc/23/70/49/635237049.db2.gz BTHUPSPUIHRBSS-HNNXBMFYSA-N 1 0 249.402 2.456 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)O)oc1C ZINC000336756639 635282980 /nfs/dbraw/zinc/28/29/80/635282980.db2.gz IWPFZAWNWGKLRB-UTLUCORTSA-N 1 0 211.305 2.316 10 0 BEAERO c1c(C[C@H]2CCC[NH2+]C2)onc1C1CC1 ZINC000107242830 635373884 /nfs/dbraw/zinc/37/38/84/635373884.db2.gz GISXZSUSQGTNEL-SECBINFHSA-N 1 0 206.289 2.094 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)C[NH3+])no2)cc1C ZINC000054158657 635774653 /nfs/dbraw/zinc/77/46/53/635774653.db2.gz ZCKMYNUHMRRALK-JTQLQIEISA-N 1 0 231.299 2.416 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2ccc(F)c(F)c2)n1 ZINC000054158677 635775061 /nfs/dbraw/zinc/77/50/61/635775061.db2.gz ANHXWERPLFDDEO-LURJTMIESA-N 1 0 239.225 2.077 10 0 BEAERO Cc1ccc2cc(C[NH2+][C@H](C)[C@H](C)O)ccc2n1 ZINC000342184653 636328335 /nfs/dbraw/zinc/32/83/35/636328335.db2.gz CUQFZUDSPDDJEL-NEPJUHHUSA-N 1 0 244.338 2.402 10 0 BEAERO Cc1ccc(N(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054292582 636338760 /nfs/dbraw/zinc/33/87/60/636338760.db2.gz RUPHHPQTRQEPTE-ZDUSSCGKSA-N 1 0 246.354 2.348 10 0 BEAERO Cc1ccc(N(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054292584 636339176 /nfs/dbraw/zinc/33/91/76/636339176.db2.gz RUPHHPQTRQEPTE-CYBMUJFWSA-N 1 0 246.354 2.348 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C(OC)OC)[C@H]1C[C@H]1C ZINC000321483019 636648214 /nfs/dbraw/zinc/64/82/14/636648214.db2.gz JEAHSWHBSKQVBC-ZNSHCXBVSA-N 1 0 215.337 2.018 10 0 BEAERO c1ccc(CC[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000035151009 636898590 /nfs/dbraw/zinc/89/85/90/636898590.db2.gz SKAXZAODANBAIM-AWEZNQCLSA-N 1 0 219.328 2.388 10 0 BEAERO C[N@H+](CC1CCCCC1)C1(CN)CCOCC1 ZINC000042492106 637273972 /nfs/dbraw/zinc/27/39/72/637273972.db2.gz GYDNMTYMOSYXDG-UHFFFAOYSA-N 1 0 240.391 2.006 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(CC2CC2)no1 ZINC000149014101 637899765 /nfs/dbraw/zinc/89/97/65/637899765.db2.gz GWVBEHYKZLDOBJ-MNOVXSKESA-N 1 0 235.331 2.255 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)c(F)c1 ZINC000348310550 638997566 /nfs/dbraw/zinc/99/75/66/638997566.db2.gz CGSVYWCEVLVNOJ-KXUCPTDWSA-N 1 0 241.306 2.254 10 0 BEAERO C[C@@H]([NH2+]C1CC(c2ccccc2F)C1)[C@H](C)O ZINC000348315863 639045093 /nfs/dbraw/zinc/04/50/93/639045093.db2.gz IHJLXRJUIGQBPE-QKEWWQLBSA-N 1 0 237.318 2.431 10 0 BEAERO C[C@H](NC(=O)C1CCCCC1)C1CC[NH2+]CC1 ZINC000035689839 639835491 /nfs/dbraw/zinc/83/54/91/639835491.db2.gz SLZIJMGOJWOPQY-NSHDSACASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H](NC(=O)CCCCCC[NH3+])c1cccnc1 ZINC000035692168 639840065 /nfs/dbraw/zinc/84/00/65/639840065.db2.gz IARLDDJOBDLIQA-LBPRGKRZSA-N 1 0 249.358 2.168 10 0 BEAERO C[C@@H](NC(=O)CCCCC[NH3+])c1cccs1 ZINC000035736829 639890409 /nfs/dbraw/zinc/89/04/09/639890409.db2.gz KPPHTPAZZUYVDR-SNVBAGLBSA-N 1 0 240.372 2.444 10 0 BEAERO CCC[C@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699738 640320288 /nfs/dbraw/zinc/32/02/88/640320288.db2.gz JUWLEJLKTTTYAC-QMMMGPOBSA-N 1 0 236.344 2.344 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699133 640320906 /nfs/dbraw/zinc/32/09/06/640320906.db2.gz WOOSCWIZHKEPIF-SNVBAGLBSA-N 1 0 222.336 2.273 10 0 BEAERO Cn1nc(C2CCCCC2)nc1C(C)(C)[NH3+] ZINC000054699383 640321780 /nfs/dbraw/zinc/32/17/80/640321780.db2.gz PNLPGASURSJXPR-UHFFFAOYSA-N 1 0 222.336 2.057 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699739 640321881 /nfs/dbraw/zinc/32/18/81/640321881.db2.gz JUWLEJLKTTTYAC-MRVPVSSYSA-N 1 0 236.344 2.344 10 0 BEAERO c1ncc(C[NH2+]C2C3CC4CC(C3)CC2C4)[nH]1 ZINC000054764699 640404263 /nfs/dbraw/zinc/40/42/63/640404263.db2.gz JKYWUSNBJGNMTN-UHFFFAOYSA-N 1 0 231.343 2.324 10 0 BEAERO c1ncc(C[NH2+][C@@H]2CCc3ccccc3C2)[nH]1 ZINC000054765325 640408344 /nfs/dbraw/zinc/40/83/44/640408344.db2.gz UGIDAQGYJAJYQP-CYBMUJFWSA-N 1 0 227.311 2.057 10 0 BEAERO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1cncnc1 ZINC000054767085 640408955 /nfs/dbraw/zinc/40/89/55/640408955.db2.gz HJXAYFBJNSRDKB-CQSZACIVSA-N 1 0 225.295 2.254 10 0 BEAERO C[C@@H](c1nc(C[C@H]2CCC[NH2+]C2)no1)C1CC1 ZINC000164053306 640440034 /nfs/dbraw/zinc/44/00/34/640440034.db2.gz VJTBBSLQXSUBKM-NXEZZACHSA-N 1 0 235.331 2.125 10 0 BEAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000044648323 640446582 /nfs/dbraw/zinc/44/65/82/640446582.db2.gz VPTZQQJUHOYQQB-ZETCQYMHSA-N 1 0 246.763 2.188 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000164425099 640481697 /nfs/dbraw/zinc/48/16/97/640481697.db2.gz VAJFEHYRIMFADM-LBPRGKRZSA-N 1 0 227.348 2.103 10 0 BEAERO C[NH+]1CCC(Nc2cncc3cccnc32)CC1 ZINC000223130805 640535531 /nfs/dbraw/zinc/53/55/31/640535531.db2.gz NPFOLKCZNJDUPI-UHFFFAOYSA-N 1 0 242.326 2.136 10 0 BEAERO CC[C@@H]1CC[NH2+][C@H](CC(=O)C(F)(F)F)C1 ZINC000167557597 640731998 /nfs/dbraw/zinc/73/19/98/640731998.db2.gz QREMSNGUARVWJK-SFYZADRCSA-N 1 0 223.238 2.286 10 0 BEAERO CC(C)(CO)[NH2+]CC/C=C/c1ccccc1 ZINC000323844217 640821069 /nfs/dbraw/zinc/82/10/69/640821069.db2.gz NXEKARHLJHPDDY-UXBLZVDNSA-N 1 0 219.328 2.450 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2ccncc2Cl)C1 ZINC000227645124 640842871 /nfs/dbraw/zinc/84/28/71/640842871.db2.gz OQMSFEZILXIPDS-DTWKUNHWSA-N 1 0 225.723 2.274 10 0 BEAERO CC(C)c1nsc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227644877 640843272 /nfs/dbraw/zinc/84/32/72/640843272.db2.gz FJMXVUBKLYNFHK-BDAKNGLRSA-N 1 0 240.376 2.201 10 0 BEAERO [NH3+]Cc1ccc(Oc2ncnc3c2CCC3)cc1 ZINC000061278023 640947836 /nfs/dbraw/zinc/94/78/36/640947836.db2.gz IBGWXZHCQKXFDT-UHFFFAOYSA-N 1 0 241.294 2.216 10 0 BEAERO C1C[NH2+][C@@H](c2nc([C@@H]3CCCS3)no2)C1 ZINC000087699714 640976547 /nfs/dbraw/zinc/97/65/47/640976547.db2.gz AWCMYEPLEOWLCP-SFYZADRCSA-N 1 0 225.317 2.062 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc([C@@H]2CCCS2)no1 ZINC000087717076 640989919 /nfs/dbraw/zinc/98/99/19/640989919.db2.gz XDGKUZADTBRZIM-IUCAKERBSA-N 1 0 241.360 2.164 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc([C@H]2CCCS2)no1 ZINC000087717080 640990583 /nfs/dbraw/zinc/99/05/83/640990583.db2.gz XDGKUZADTBRZIM-DTWKUNHWSA-N 1 0 241.360 2.164 10 0 BEAERO C[C@H](CNCc1ccoc1)C[NH+]1CCCC1 ZINC000062103678 641021420 /nfs/dbraw/zinc/02/14/20/641021420.db2.gz WQOAVWZXCQLALC-GFCCVEGCSA-N 1 0 222.332 2.101 10 0 BEAERO C[C@@H]1CCC[C@H](c2noc([C@@H]3CC[NH2+]C3)n2)C1 ZINC000062119782 641022921 /nfs/dbraw/zinc/02/29/21/641022921.db2.gz QMAFZVVHNMMXFE-OUAUKWLOSA-N 1 0 235.331 2.440 10 0 BEAERO Cc1occc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084730 641127874 /nfs/dbraw/zinc/12/78/74/641127874.db2.gz PTZMAWJEMSNIMC-JTQLQIEISA-N 1 0 247.298 2.180 10 0 BEAERO [NH3+]CC[C@H]1CN(C[C@@H]2CCCO2)c2ccccc21 ZINC000063128803 641137666 /nfs/dbraw/zinc/13/76/66/641137666.db2.gz OTRZTYLMGUMAKT-STQMWFEESA-N 1 0 246.354 2.118 10 0 BEAERO C[C@H]1C[NH+](CCCCCCCO)C[C@H](C)O1 ZINC000173453514 641178175 /nfs/dbraw/zinc/17/81/75/641178175.db2.gz QXQMYCVGFMAVDQ-STQMWFEESA-N 1 0 229.364 2.038 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCSC1 ZINC000061588150 641184066 /nfs/dbraw/zinc/18/40/66/641184066.db2.gz MJZAIMVKMCPHAS-QWHCGFSZSA-N 1 0 244.448 2.448 10 0 BEAERO c1cc2c(s1)[C@H](c1ccncc1)[NH2+]CC2 ZINC000084483337 641359528 /nfs/dbraw/zinc/35/95/28/641359528.db2.gz OJSFUBLAYKCIKY-NSHDSACASA-N 1 0 216.309 2.378 10 0 BEAERO Cc1ccc(Cl)cc1-c1cnn(CC[NH3+])c1 ZINC000211568042 641514216 /nfs/dbraw/zinc/51/42/16/641514216.db2.gz NJMBOERXUUVEBS-UHFFFAOYSA-N 1 0 235.718 2.471 10 0 BEAERO CC[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000042013595 641547292 /nfs/dbraw/zinc/54/72/92/641547292.db2.gz YJDDIYRRNIEXDG-JTQLQIEISA-N 1 0 230.315 2.360 10 0 BEAERO COCC[N@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000044177478 641591263 /nfs/dbraw/zinc/59/12/63/641591263.db2.gz NCVALRQKLQKQQB-LBPRGKRZSA-N 1 0 249.310 2.044 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1CCSC(F)(F)F ZINC000123633402 641873446 /nfs/dbraw/zinc/87/34/46/641873446.db2.gz MLPGKLJNJYQEJN-JGVFFNPUSA-N 1 0 242.310 2.051 10 0 BEAERO CC1(C)C[C@H]1c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000232863222 641885177 /nfs/dbraw/zinc/88/51/77/641885177.db2.gz DHGBQOLPJJFHDA-YUMQZZPRSA-N 1 0 207.277 2.008 10 0 BEAERO CC(C)(C)Cc1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000070617942 642437151 /nfs/dbraw/zinc/43/71/51/642437151.db2.gz MALXSGZUPQIOFB-GFCCVEGCSA-N 1 0 223.320 2.257 10 0 BEAERO CCC[C@@H]([NH3+])c1cc(F)c([O-])c(F)c1 ZINC000238231869 642800677 /nfs/dbraw/zinc/80/06/77/642800677.db2.gz ZBQHZQXMSGEMGU-SECBINFHSA-N 1 0 201.216 2.470 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc(C)cc1Cl ZINC000238361094 642804953 /nfs/dbraw/zinc/80/49/53/642804953.db2.gz PSNZLHQOVKRERO-JTQLQIEISA-N 1 0 227.691 2.211 10 0 BEAERO CCn1nccc1-c1ccc(F)c(C[NH3+])c1 ZINC000069022347 642820953 /nfs/dbraw/zinc/82/09/53/642820953.db2.gz CFIWKCCXPUWSII-UHFFFAOYSA-N 1 0 219.263 2.168 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCC12CCCC2 ZINC000353505033 642859157 /nfs/dbraw/zinc/85/91/57/642859157.db2.gz UINVNVUSMICLBM-SDDRHHMPSA-N 1 0 211.349 2.458 10 0 BEAERO CCC[C@H]([NH3+])c1ncc(Br)cn1 ZINC000070948060 643085547 /nfs/dbraw/zinc/08/55/47/643085547.db2.gz ZKQBQNSHBBIIFX-ZETCQYMHSA-N 1 0 230.109 2.039 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000183154454 643093151 /nfs/dbraw/zinc/09/31/51/643093151.db2.gz ABIDIGMWKRZYAV-YGRLFVJLSA-N 1 0 248.301 2.354 10 0 BEAERO CCN(c1nc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000071314125 643124927 /nfs/dbraw/zinc/12/49/27/643124927.db2.gz FUNZIHVAHNVRJX-JTQLQIEISA-N 1 0 231.299 2.016 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](CC2=CCCC2)C1 ZINC000306918062 643275432 /nfs/dbraw/zinc/27/54/32/643275432.db2.gz YXCOVDRRFSUMDE-CYBMUJFWSA-N 1 0 207.317 2.398 10 0 BEAERO C1CCC2(CC1)C[NH2+][C@]1(CCCOCC1)OC2 ZINC000757143488 643308463 /nfs/dbraw/zinc/30/84/63/643308463.db2.gz DCNSSWDWWQSUMX-CQSZACIVSA-N 1 0 239.359 2.454 10 0 BEAERO CC[C@@H](C)c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000082561092 643343006 /nfs/dbraw/zinc/34/30/06/643343006.db2.gz YZUWOJJSOKVPAA-NXEZZACHSA-N 1 0 223.320 2.125 10 0 BEAERO CC[C@H](C)c1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000082563231 643343654 /nfs/dbraw/zinc/34/36/54/643343654.db2.gz BSDNLDUZHSHPPB-DTWKUNHWSA-N 1 0 211.309 2.109 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])[C@](F)(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000757182468 643357843 /nfs/dbraw/zinc/35/78/43/643357843.db2.gz JIIRQWJMCSLJOP-COMAGPEQSA-N 1 0 245.338 2.430 10 0 BEAERO CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000082863303 643386994 /nfs/dbraw/zinc/38/69/94/643386994.db2.gz GFNWEAVZFFOKBG-LPEHRKFASA-N 1 0 239.281 2.468 10 0 BEAERO C[C@@H]1CC[C@@]2(C[C@@H]1C)[NH2+]CCc1nc[nH]c12 ZINC000400462515 643388490 /nfs/dbraw/zinc/38/84/90/643388490.db2.gz OZIIPHASYPIVDQ-NRUUGDAUSA-N 1 0 219.332 2.207 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000336763027 643459940 /nfs/dbraw/zinc/45/99/40/643459940.db2.gz OTMIKLWKXVSORP-ZDEQEGDKSA-N 1 0 211.349 2.314 10 0 BEAERO CC(C)c1cnc(C[NH2+][C@@H](C)[C@@H](C)O)s1 ZINC000336773579 643460430 /nfs/dbraw/zinc/46/04/30/643460430.db2.gz YZCVCNZRDLEJIA-DTWKUNHWSA-N 1 0 228.361 2.125 10 0 BEAERO CCc1ccc(-c2cnn(CC[NH3+])c2)cc1 ZINC000049815879 643464216 /nfs/dbraw/zinc/46/42/16/643464216.db2.gz ITWBNEIXPGSRCB-UHFFFAOYSA-N 1 0 215.300 2.071 10 0 BEAERO CCc1ccc(-c2ccc(=O)n(CC[NH3+])c2)cc1 ZINC000049831014 643471410 /nfs/dbraw/zinc/47/14/10/643471410.db2.gz XSOHKXFAYQYDEI-UHFFFAOYSA-N 1 0 242.322 2.036 10 0 BEAERO O[C@@H](C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000049830480 643472905 /nfs/dbraw/zinc/47/29/05/643472905.db2.gz FNQFHXCESNSBMH-ZDUSSCGKSA-N 1 0 241.281 2.484 10 0 BEAERO FC(F)(F)COCC[NH2+]CCc1ccccc1 ZINC000042238557 643507749 /nfs/dbraw/zinc/50/77/49/643507749.db2.gz VEWBLNPXOWNUIL-UHFFFAOYSA-N 1 0 247.260 2.398 10 0 BEAERO CC[C@H](NC(=O)c1cccc(C[NH3+])c1)C(C)C ZINC000042584573 643508884 /nfs/dbraw/zinc/50/88/84/643508884.db2.gz SZWDCELXICOEBZ-ZDUSSCGKSA-N 1 0 234.343 2.310 10 0 BEAERO C[C@H]([NH3+])[C@H](C)c1nc(CC(C)(C)C)no1 ZINC000082675378 643521789 /nfs/dbraw/zinc/52/17/89/643521789.db2.gz WQYFBOCFIJMHBY-YUMQZZPRSA-N 1 0 211.309 2.109 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000307620737 643537806 /nfs/dbraw/zinc/53/78/06/643537806.db2.gz FQKQMRPMVCWWFR-ZJUUUORDSA-N 1 0 242.363 2.288 10 0 BEAERO CCc1nsc(NCCCCCC[NH3+])n1 ZINC000234160273 643543465 /nfs/dbraw/zinc/54/34/65/643543465.db2.gz WFSVYENTRFOWIA-UHFFFAOYSA-N 1 0 228.365 2.032 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000049948900 643564170 /nfs/dbraw/zinc/56/41/70/643564170.db2.gz DUQTUTBJAPTJAF-WDEREUQCSA-N 1 0 211.330 2.405 10 0 BEAERO CCN(C(=O)CC[NH2+]C1CC1)c1ccc(C)cc1 ZINC000049988992 643576203 /nfs/dbraw/zinc/57/62/03/643576203.db2.gz UVJMQEBGPVHMKX-UHFFFAOYSA-N 1 0 246.354 2.490 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@@H](C[NH3+])CC(=O)N2 ZINC000084036174 643642654 /nfs/dbraw/zinc/64/26/54/643642654.db2.gz LUAXCWXOJLVOEI-SECBINFHSA-N 1 0 232.327 2.369 10 0 BEAERO CCCCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301361 643657092 /nfs/dbraw/zinc/65/70/92/643657092.db2.gz QVXLPZQWEVEWOR-NEPJUHHUSA-N 1 0 226.364 2.058 10 0 BEAERO CCCCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301374 643658031 /nfs/dbraw/zinc/65/80/31/643658031.db2.gz QVXLPZQWEVEWOR-RYUDHWBXSA-N 1 0 226.364 2.058 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])C1CCCCCC1 ZINC000084328232 643658187 /nfs/dbraw/zinc/65/81/87/643658187.db2.gz WBJKCQALBSMNTD-NSHDSACASA-N 1 0 213.321 2.237 10 0 BEAERO COc1ccccc1OCC[NH2+]Cc1ccoc1 ZINC000053567023 643659334 /nfs/dbraw/zinc/65/93/34/643659334.db2.gz SQKTZIKTPMAHEM-UHFFFAOYSA-N 1 0 247.294 2.457 10 0 BEAERO [NH3+]C[C@@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000050249833 643664073 /nfs/dbraw/zinc/66/40/73/643664073.db2.gz UEUBFZWGTYJLOB-NSHDSACASA-N 1 0 227.311 2.020 10 0 BEAERO CC(C)(C)Cc1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000085007954 643677737 /nfs/dbraw/zinc/67/77/37/643677737.db2.gz MPAJMPGWUFZQJM-IUCAKERBSA-N 1 0 223.320 2.253 10 0 BEAERO CC(C)(C)Cc1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000085007952 643677938 /nfs/dbraw/zinc/67/79/38/643677938.db2.gz MPAJMPGWUFZQJM-BDAKNGLRSA-N 1 0 223.320 2.253 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000050372712 643692285 /nfs/dbraw/zinc/69/22/85/643692285.db2.gz IXXTXNOSZWPPDX-UONOGXRCSA-N 1 0 235.327 2.223 10 0 BEAERO CC[C@H](C)c1noc([C@H]2CC[NH2+][C@@H]2C)n1 ZINC000086258830 643974908 /nfs/dbraw/zinc/97/49/08/643974908.db2.gz KMBHDOSTHQFRRD-YIZRAAEISA-N 1 0 209.293 2.049 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1c1ccncc1Cl ZINC000086839838 644186295 /nfs/dbraw/zinc/18/62/95/644186295.db2.gz GHIARINGBIBDOH-JTQLQIEISA-N 1 0 239.750 2.313 10 0 BEAERO c1csc(-c2nc(C[C@H]3CCC[NH2+]3)no2)c1 ZINC000083335407 644404036 /nfs/dbraw/zinc/40/40/36/644404036.db2.gz QFOCOFCKNBFYGZ-MRVPVSSYSA-N 1 0 235.312 2.093 10 0 BEAERO Cc1cc(-c2nc([C@H](C)C[NH3+])no2)sc1C ZINC000083631940 644406731 /nfs/dbraw/zinc/40/67/31/644406731.db2.gz RLMYDEXESWKVEW-SSDOTTSWSA-N 1 0 237.328 2.477 10 0 BEAERO Cc1ccc(-c2cnn(CC[NH3+])c2)cc1C ZINC000083990557 644415189 /nfs/dbraw/zinc/41/51/89/644415189.db2.gz WWDHLIBGDUXIKN-UHFFFAOYSA-N 1 0 215.300 2.126 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(C2CC2)no1 ZINC000084300343 644423839 /nfs/dbraw/zinc/42/38/39/644423839.db2.gz SBGNIQYYRJHKRJ-NXEZZACHSA-N 1 0 221.304 2.180 10 0 BEAERO CCC1(c2nc(CC[NH2+]C)no2)CCCC1 ZINC000087318894 644490383 /nfs/dbraw/zinc/49/03/83/644490383.db2.gz BKTLXGJGPPNXGR-UHFFFAOYSA-N 1 0 223.320 2.053 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1 ZINC000089385675 644547110 /nfs/dbraw/zinc/54/71/10/644547110.db2.gz UBRDVZFIEITCKD-UONOGXRCSA-N 1 0 246.354 2.068 10 0 BEAERO CCCCCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089388543 644548669 /nfs/dbraw/zinc/54/86/69/644548669.db2.gz AXDOQLYNVBQGMG-QWHCGFSZSA-N 1 0 240.391 2.448 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H]1CCC=CO1 ZINC000248994590 644706301 /nfs/dbraw/zinc/70/63/01/644706301.db2.gz OLXKYYZDECEPKG-UONOGXRCSA-N 1 0 238.375 2.095 10 0 BEAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ccc(O)cc3)no2)C1 ZINC000097067686 644868494 /nfs/dbraw/zinc/86/84/94/644868494.db2.gz RPLGFFDQXASRBF-ZJUUUORDSA-N 1 0 245.282 2.037 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccoc1 ZINC000252738530 644896919 /nfs/dbraw/zinc/89/69/19/644896919.db2.gz BVSANWJYIKVISR-JSGCOSHPSA-N 1 0 234.343 2.338 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC[S@](C)=O)cc1F ZINC000133802270 645867382 /nfs/dbraw/zinc/86/73/82/645867382.db2.gz DIKLNNGRBZWHOA-QLJPJBMISA-N 1 0 243.347 2.163 10 0 BEAERO C[C@@]1(O)CCC[N@H+](CCSC(F)(F)F)C1 ZINC000123715228 645920766 /nfs/dbraw/zinc/92/07/66/645920766.db2.gz YCYYJOGQQHPOIQ-MRVPVSSYSA-N 1 0 243.294 2.086 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)[C@@H]1CC1(C)C ZINC000724872830 711621927 /nfs/dbraw/zinc/62/19/27/711621927.db2.gz RCVJMIDKXFBZPH-UMSGYPCISA-N 1 0 241.375 2.205 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000721166786 711688422 /nfs/dbraw/zinc/68/84/22/711688422.db2.gz JYTPVKVTQXJFSC-GMKTYKIGSA-N 1 0 227.348 2.101 10 0 BEAERO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ncc(C)o2)C1 ZINC000721994573 711863311 /nfs/dbraw/zinc/86/33/11/711863311.db2.gz MAZMIOTVKCIADX-MXWKQRLJSA-N 1 0 224.304 2.059 10 0 BEAERO CCCN(CC1CC1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128938460 711943749 /nfs/dbraw/zinc/94/37/49/711943749.db2.gz OVBKVHANWCJTDK-GFCCVEGCSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCOC2CCCCC2)C1 ZINC000701330889 712020604 /nfs/dbraw/zinc/02/06/04/712020604.db2.gz PIUOHRQPQIXHOR-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@]1(C)CC1(C)C ZINC000702403503 712050888 /nfs/dbraw/zinc/05/08/88/712050888.db2.gz GQFZDNSMXIYSKO-ZWNOBZJWSA-N 1 0 213.365 2.419 10 0 BEAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CC(C)(C)C1 ZINC000708817162 712199620 /nfs/dbraw/zinc/19/96/20/712199620.db2.gz AWENPLUOTKRPEG-XKGSQUFQSA-N 1 0 238.375 2.055 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000709946031 712234559 /nfs/dbraw/zinc/23/45/59/712234559.db2.gz CZFXSYWUCHRLLF-STQMWFEESA-N 1 0 222.376 2.393 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711045398 712276663 /nfs/dbraw/zinc/27/66/63/712276663.db2.gz IBRVMRJQFQYQFB-XVIXHAIJSA-N 1 0 223.360 2.316 10 0 BEAERO COCc1nc(C[NH2+]C[C@@H]2C=CCC2)cs1 ZINC000711681956 712316922 /nfs/dbraw/zinc/31/69/22/712316922.db2.gz ZCOMCUPUVHKPKU-SNVBAGLBSA-N 1 0 238.356 2.345 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711817739 712332526 /nfs/dbraw/zinc/33/25/26/712332526.db2.gz NTMOGAZYYUOVFI-PWSUYJOCSA-N 1 0 219.332 2.496 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc(CC2CCCC2)no1 ZINC000379112474 712369197 /nfs/dbraw/zinc/36/91/97/712369197.db2.gz VLWQXHAYKULLOJ-NSHDSACASA-N 1 0 237.347 2.328 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000379465651 712385754 /nfs/dbraw/zinc/38/57/54/712385754.db2.gz XGYFGGRLZKHXHC-AUXWQGHOSA-N 1 0 237.265 2.078 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712648571 712439616 /nfs/dbraw/zinc/43/96/16/712439616.db2.gz DGCGZFANEFWRNS-XJFOESAGSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C)CC(C)(C)C1 ZINC000712556769 712444944 /nfs/dbraw/zinc/44/49/44/712444944.db2.gz KRVGKNAEKJULEO-AGIUHOORSA-N 1 0 224.392 2.495 10 0 BEAERO C=C/C=C\CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000713739899 712470834 /nfs/dbraw/zinc/47/08/34/712470834.db2.gz RLUZCAWUIURDIU-VSVUCHCSSA-N 1 0 220.360 2.287 10 0 BEAERO COCC1CC([NH2+]Cc2cccc(OC)c2)C1 ZINC000713936269 712474050 /nfs/dbraw/zinc/47/40/50/712474050.db2.gz WZRXJAOIISMJRU-UHFFFAOYSA-N 1 0 235.327 2.210 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715073769 712506253 /nfs/dbraw/zinc/50/62/53/712506253.db2.gz VWMDWZJPQCTOFR-PHIMTYICSA-N 1 0 234.347 2.058 10 0 BEAERO C[C@H]1C[C@@H](O)C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715529118 712525909 /nfs/dbraw/zinc/52/59/09/712525909.db2.gz DGRVGSOAJOLMFL-ASEORRQLSA-N 1 0 223.360 2.125 10 0 BEAERO Cc1c(C[NH2+]CCCCC2CC2)cnn1C ZINC000716318243 712554724 /nfs/dbraw/zinc/55/47/24/712554724.db2.gz XRFNVYYZXDXLJP-UHFFFAOYSA-N 1 0 221.348 2.398 10 0 BEAERO CC(C)[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717155508 712638092 /nfs/dbraw/zinc/63/80/92/712638092.db2.gz OJZWZKNUIRENTM-AEJSXWLSSA-N 1 0 238.297 2.242 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCC(C)(F)F ZINC000718701355 712778286 /nfs/dbraw/zinc/77/82/86/712778286.db2.gz DBTNGRXZSIBZNN-UWVGGRQHSA-N 1 0 221.291 2.267 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000718861853 712786509 /nfs/dbraw/zinc/78/65/09/712786509.db2.gz TWLMSKISEPGSFG-WUHRBBMRSA-N 1 0 227.348 2.101 10 0 BEAERO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719236306 712800670 /nfs/dbraw/zinc/80/06/70/712800670.db2.gz JRZAFCPBPWVGNZ-WDEREUQCSA-N 1 0 226.364 2.199 10 0 BEAERO Cc1c(C[NH2+]C2(C)CC(F)(F)C2)cnn1C ZINC000720949851 712881818 /nfs/dbraw/zinc/88/18/18/712881818.db2.gz RSBUIYOTFOZVRZ-UHFFFAOYSA-N 1 0 229.274 2.006 10 0 BEAERO Cc1ccc(-c2cnn(CCC[NH3+])c2)c(F)c1 ZINC000721215283 712899094 /nfs/dbraw/zinc/89/90/94/712899094.db2.gz XRRTYIUVCDLYIC-UHFFFAOYSA-N 1 0 233.290 2.346 10 0 BEAERO CCCCCCNc1cc(C)[nH+]c(N)n1 ZINC000038586029 710687296 /nfs/dbraw/zinc/68/72/96/710687296.db2.gz MPRYYGUHSJVJLH-UHFFFAOYSA-N 1 0 208.309 2.359 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000724294762 710738729 /nfs/dbraw/zinc/73/87/29/710738729.db2.gz CIYQXGQALSWIGH-AUZPSNTRSA-N 1 0 241.375 2.347 10 0 BEAERO CC[C@H]([NH2+]CC1CC(OC)C1)[C@@H]1CCCOC1 ZINC000723954303 710734006 /nfs/dbraw/zinc/73/40/06/710734006.db2.gz HVCQUIVLGIDYNW-HHTDUIENSA-N 1 0 241.375 2.206 10 0 BEAERO Cc1cnc(C[NH2+]C[C@@H]2C[C@@H]2C)c(C)c1 ZINC000724087629 710737024 /nfs/dbraw/zinc/73/70/24/710737024.db2.gz XCYLHYLLJJOVTH-JQWIXIFHSA-N 1 0 204.317 2.444 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc2ccccc2n1 ZINC000721970170 710695569 /nfs/dbraw/zinc/69/55/69/710695569.db2.gz AYSJSHWFENZQFZ-ZWNOBZJWSA-N 1 0 227.311 2.255 10 0 BEAERO CCN(CC)C[C@@H](C)[NH2+]CC1(O)CCCCC1 ZINC000045704484 711487951 /nfs/dbraw/zinc/48/79/51/711487951.db2.gz FALNRTZSOYFMLG-CYBMUJFWSA-N 1 0 242.407 2.002 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723625038 711526834 /nfs/dbraw/zinc/52/68/34/711526834.db2.gz NGHNEDSVKLQTMF-SJHCENCUSA-N 1 0 209.333 2.190 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncc(Cl)cc1F ZINC000723825410 711537712 /nfs/dbraw/zinc/53/77/12/711537712.db2.gz BYPYOCGOPMAKHZ-SFYZADRCSA-N 1 0 243.713 2.142 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@@H]1CCCOC1 ZINC000723991838 711551652 /nfs/dbraw/zinc/55/16/52/711551652.db2.gz BDLSAKGYTLYXGI-RQJABVFESA-N 1 0 241.375 2.085 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2CCSC2)c(C)c1 ZINC000724047702 711557378 /nfs/dbraw/zinc/55/73/78/711557378.db2.gz JVNAXLCEOYLZNU-LLVKDONJSA-N 1 0 222.357 2.294 10 0 BEAERO Cc1cnc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(C)c1 ZINC000724094891 711560492 /nfs/dbraw/zinc/56/04/92/711560492.db2.gz CQVBSEOWAMUISB-HIFRSBDPSA-N 1 0 246.354 2.356 10 0 BEAERO Cc1c(C[NH2+]CCC2CC=CC2)cnn1C ZINC000724187259 711567604 /nfs/dbraw/zinc/56/76/04/711567604.db2.gz SOPZECWTKGBSNR-UHFFFAOYSA-N 1 0 219.332 2.174 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]CCC1CC=CC1 ZINC000724198596 711568805 /nfs/dbraw/zinc/56/88/05/711568805.db2.gz NIJAHUQDBXSQAY-AWEZNQCLSA-N 1 0 241.375 2.110 10 0 BEAERO C[C@H]1OC[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H]1C ZINC000724264665 711573142 /nfs/dbraw/zinc/57/31/42/711573142.db2.gz MISNQLGDKWWWQQ-KLVXDSBYSA-N 1 0 241.375 2.203 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC=CO2)C[C@H](C)O1 ZINC000724269071 711573315 /nfs/dbraw/zinc/57/33/15/711573315.db2.gz QWPQQDIKCQEISK-XJFOESAGSA-N 1 0 239.359 2.472 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)[C@H](C)O ZINC000309054607 711586305 /nfs/dbraw/zinc/58/63/05/711586305.db2.gz SYJZMHNGJOYUGL-VGMNWLOBSA-N 1 0 228.723 2.155 10 0 BEAERO OC1CC2(C[C@H]2[NH2+][C@H]2CCc3ccccc32)C1 ZINC000724968098 711638400 /nfs/dbraw/zinc/63/84/00/711638400.db2.gz ZPAPBUSCJNORMN-PIBLMLOJSA-N 1 0 229.323 2.177 10 0 BEAERO CC(C)CCCC[NH2+]CC(=O)NC1CCCC1 ZINC000134302058 711643065 /nfs/dbraw/zinc/64/30/65/711643065.db2.gz AHISOADWOWLLNA-UHFFFAOYSA-N 1 0 240.391 2.461 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2C)cc(Cl)n1 ZINC000309962878 711700195 /nfs/dbraw/zinc/70/01/95/711700195.db2.gz MDPVYTUVLKMKBB-GXSJLCMTSA-N 1 0 240.734 2.310 10 0 BEAERO CC(C)C1CC([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000232539875 711709527 /nfs/dbraw/zinc/70/95/27/711709527.db2.gz YEWOOMWQOCWLDG-MVKMKZAISA-N 1 0 211.349 2.314 10 0 BEAERO [NH3+]C1CC(C(=O)Nc2cccc(Cl)c2)C1 ZINC000258735148 711741435 /nfs/dbraw/zinc/74/14/35/711741435.db2.gz MVQVGOVCGDWGSQ-UHFFFAOYSA-N 1 0 224.691 2.016 10 0 BEAERO CCCn1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000722374275 711751696 /nfs/dbraw/zinc/75/16/96/711751696.db2.gz HTVCYUSBELEGMH-VXGBXAGGSA-N 1 0 236.363 2.093 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)Nc1cc(F)ncn1 ZINC000136889541 711756304 /nfs/dbraw/zinc/75/63/04/711756304.db2.gz MAMYAOUTDIAOSW-SNVBAGLBSA-N 1 0 240.326 2.004 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2ccc3c(c2)CCC3)n1 ZINC000054158609 711766345 /nfs/dbraw/zinc/76/63/45/711766345.db2.gz YUOFBYHPHWKHNB-VIFPVBQESA-N 1 0 243.310 2.288 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000307174800 711773630 /nfs/dbraw/zinc/77/36/30/711773630.db2.gz FFWVASQYSKPGKC-KAMPLNKDSA-N 1 0 229.414 2.364 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1Nc1nc2ccccc2o1 ZINC000721986635 711861373 /nfs/dbraw/zinc/86/13/73/711861373.db2.gz XYXDQEWGLLUCDW-LLVKDONJSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@H]1[C@H](O)CCCN1Cc1scnc1Cl ZINC000721931889 711939541 /nfs/dbraw/zinc/93/95/41/711939541.db2.gz MAGYBSJOICFOAV-JGVFFNPUSA-N 1 0 246.763 2.142 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2cccnc2)no1 ZINC000132139496 711955721 /nfs/dbraw/zinc/95/57/21/711955721.db2.gz MACAMVUTRJDWIL-LLVKDONJSA-N 1 0 246.314 2.048 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CC3CCC2CC3)n1 ZINC000700482198 711994555 /nfs/dbraw/zinc/99/45/55/711994555.db2.gz HZLZGCDUYLPQBI-HTAVTVPLSA-N 1 0 247.342 2.159 10 0 BEAERO [NH3+]CC1(c2nc([C@H]3CC34CC4)no2)CCCC1 ZINC000700539322 711996650 /nfs/dbraw/zinc/99/66/50/711996650.db2.gz GOAHRZFUSBRKDJ-SECBINFHSA-N 1 0 233.315 2.108 10 0 BEAERO OCC[C@@H]1CC[N@H+](CCOC2CCCCC2)C1 ZINC000701325086 712020371 /nfs/dbraw/zinc/02/03/71/712020371.db2.gz AIUNTLKBKQBLCY-ZDUSSCGKSA-N 1 0 241.375 2.040 10 0 BEAERO CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000702392849 712050079 /nfs/dbraw/zinc/05/00/79/712050079.db2.gz AXFXRFYNLRIJIP-NQBHXWOUSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1nnc(C)[nH]1)[C@@H]1C[C@@H]1C ZINC000321925883 712080712 /nfs/dbraw/zinc/08/07/12/712080712.db2.gz RTYYAHKQUHHGRL-URPMGSGRSA-N 1 0 222.336 2.198 10 0 BEAERO C[C@@H]1C[C@H](O)CCN1CC=C(Cl)Cl ZINC000705231112 712124683 /nfs/dbraw/zinc/12/46/83/712124683.db2.gz AAWUCSGCLXAHEF-HTQZYQBOSA-N 1 0 224.131 2.151 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705553852 712132671 /nfs/dbraw/zinc/13/26/71/712132671.db2.gz GNLYZDGRNFBGFQ-RNFRBKRXSA-N 1 0 249.688 2.477 10 0 BEAERO O[C@@H](C[N@@H+]1C[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000706782498 712155140 /nfs/dbraw/zinc/15/51/40/712155140.db2.gz BKLGRIJUNVIROX-RDBSUJKOSA-N 1 0 217.312 2.204 10 0 BEAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706791265 712155555 /nfs/dbraw/zinc/15/55/55/712155555.db2.gz RMEZHCVLIROWBY-XQQFMLRXSA-N 1 0 229.364 2.085 10 0 BEAERO CSC1CC([NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000706813757 712156456 /nfs/dbraw/zinc/15/64/56/712156456.db2.gz DVKSJEBJSPQCDZ-BMNUFHGDSA-N 1 0 217.403 2.364 10 0 BEAERO CCSCC[NH2+]C1CC(SC)C1 ZINC000706859478 712157238 /nfs/dbraw/zinc/15/72/38/712157238.db2.gz ORSHAHNTEPRIAX-UHFFFAOYSA-N 1 0 205.392 2.223 10 0 BEAERO CSC1CC([NH2+]Cc2ccc(C)cn2)C1 ZINC000706887636 712159006 /nfs/dbraw/zinc/15/90/06/712159006.db2.gz KLOOVIDVYFXDDS-UHFFFAOYSA-N 1 0 222.357 2.374 10 0 BEAERO CSC1CC([NH2+]Cc2ccns2)C1 ZINC000706887706 712159053 /nfs/dbraw/zinc/15/90/53/712159053.db2.gz LPOKBRJZFGZPTP-UHFFFAOYSA-N 1 0 214.359 2.127 10 0 BEAERO CSC1CC([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000706927177 712161758 /nfs/dbraw/zinc/16/17/58/712161758.db2.gz INEIAFCOKRECFV-HBIQZDMRSA-N 1 0 229.389 2.021 10 0 BEAERO COc1cncc(C[NH2+]C2CC(SC)C2)c1 ZINC000706954792 712163002 /nfs/dbraw/zinc/16/30/02/712163002.db2.gz FGLNQOLRBLFAJW-UHFFFAOYSA-N 1 0 238.356 2.074 10 0 BEAERO CSC1CC([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000708269951 712184521 /nfs/dbraw/zinc/18/45/21/712184521.db2.gz PKIHILUZLHPZSY-CPCZMJQVSA-N 1 0 243.416 2.411 10 0 BEAERO CSC1CC([NH2+]Cc2nc(C)ccc2O)C1 ZINC000708290262 712185776 /nfs/dbraw/zinc/18/57/76/712185776.db2.gz USRGABCKPULYOX-UHFFFAOYSA-N 1 0 238.356 2.079 10 0 BEAERO CCCCCCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708842605 712200833 /nfs/dbraw/zinc/20/08/33/712200833.db2.gz ZNDYGDNGFFJHRV-NEPJUHHUSA-N 1 0 226.364 2.010 10 0 BEAERO Nc1cc[nH+]cc1-c1ccnc2c1CCCC2 ZINC000709052219 712206848 /nfs/dbraw/zinc/20/68/48/712206848.db2.gz GJJVHECWOZQGJI-UHFFFAOYSA-N 1 0 225.295 2.435 10 0 BEAERO CN(CCCCCC[NH3+])c1ccc(F)cn1 ZINC000710760943 712256712 /nfs/dbraw/zinc/25/67/12/712256712.db2.gz VSISCEMXMODTMV-UHFFFAOYSA-N 1 0 225.311 2.176 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCC1(OC)OC)C(C)C ZINC000710966887 712269452 /nfs/dbraw/zinc/26/94/52/712269452.db2.gz LMRCVRXFTGAALV-GHMZBOCLSA-N 1 0 215.337 2.162 10 0 BEAERO CC[C@H](C)c1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000711076053 712278750 /nfs/dbraw/zinc/27/87/50/712278750.db2.gz VGOJNUTXBYLCLC-IUCAKERBSA-N 1 0 223.320 2.296 10 0 BEAERO COC1CC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711119776 712282309 /nfs/dbraw/zinc/28/23/09/712282309.db2.gz PAPPQQVQVDFOOS-XWCWTXAISA-N 1 0 209.333 2.332 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711117002 712282462 /nfs/dbraw/zinc/28/24/62/712282462.db2.gz DVCXQANQSXPNNR-YYHQMBLXSA-N 1 0 209.333 2.332 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711147332 712286317 /nfs/dbraw/zinc/28/63/17/712286317.db2.gz RWWHKGCQOMZRBH-XHJNMGKDSA-N 1 0 223.360 2.458 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711147330 712286565 /nfs/dbraw/zinc/28/65/65/712286565.db2.gz RWWHKGCQOMZRBH-MEBFFEOJSA-N 1 0 223.360 2.458 10 0 BEAERO CSC1CC([NH2+]Cc2nccn2C2CC2)C1 ZINC000711796592 712331127 /nfs/dbraw/zinc/33/11/27/712331127.db2.gz UNAPAOWPYOVPPH-UHFFFAOYSA-N 1 0 237.372 2.202 10 0 BEAERO Cc1c(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)cnn1C ZINC000712639364 712439201 /nfs/dbraw/zinc/43/92/01/712439201.db2.gz OFEZMQVOJNJDHK-OCCSQVGLSA-N 1 0 233.359 2.254 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000713936235 712474278 /nfs/dbraw/zinc/47/42/78/712474278.db2.gz VYTIJMVTYZMZEN-XSRFYTQQSA-N 1 0 235.327 2.468 10 0 BEAERO COCc1ccc(C[NH2+]C2CC(COC)C2)cc1 ZINC000713984621 712475890 /nfs/dbraw/zinc/47/58/90/712475890.db2.gz KGJXDNGAUKWQGA-UHFFFAOYSA-N 1 0 249.354 2.348 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000713978856 712476033 /nfs/dbraw/zinc/47/60/33/712476033.db2.gz OAGNYVCOSOEIHF-UXUKBGGZSA-N 1 0 246.354 2.474 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2ccco2)C1 ZINC000713994856 712476530 /nfs/dbraw/zinc/47/65/30/712476530.db2.gz FNPCAXBVEZESID-KPPDAEKUSA-N 1 0 209.289 2.355 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2ccco2)C1 ZINC000713994857 712476625 /nfs/dbraw/zinc/47/66/25/712476625.db2.gz FNPCAXBVEZESID-WHXUTIOJSA-N 1 0 209.289 2.355 10 0 BEAERO CCCn1cc(C[NH2+][C@@H](CC)C(C)C)nn1 ZINC000714487346 712492248 /nfs/dbraw/zinc/49/22/48/712492248.db2.gz MLSUFFGYEOQVJK-LBPRGKRZSA-N 1 0 224.352 2.212 10 0 BEAERO CCC1([NH3+])CCN([C@H](C)c2ccncc2)CC1 ZINC000714758856 712497525 /nfs/dbraw/zinc/49/75/25/712497525.db2.gz OXPUJNONCZTLHV-GFCCVEGCSA-N 1 0 233.359 2.346 10 0 BEAERO C[C@@H]([NH2+]CCOC1CC1)c1cncc(F)c1 ZINC000714985640 712502891 /nfs/dbraw/zinc/50/28/91/712502891.db2.gz KMUGGIODQQIYIA-SECBINFHSA-N 1 0 224.279 2.050 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCOC1CC1 ZINC000715026709 712503858 /nfs/dbraw/zinc/50/38/58/712503858.db2.gz GGUAIONBPJLYPV-ZDUSSCGKSA-N 1 0 233.311 2.148 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2ccc(C(F)(F)F)cn2)C1 ZINC000715095679 712508325 /nfs/dbraw/zinc/50/83/25/712508325.db2.gz IJRWEZZQSJBIMU-XWEPSHTISA-N 1 0 245.248 2.250 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2cc(C(F)(F)F)ccn2)C1 ZINC000715095008 712508391 /nfs/dbraw/zinc/50/83/91/712508391.db2.gz APDBJBQKNCIWGL-XWEPSHTISA-N 1 0 245.248 2.250 10 0 BEAERO CCCc1noc(C[C@H]([NH3+])c2ccccc2)n1 ZINC000036915762 712515341 /nfs/dbraw/zinc/51/53/41/712515341.db2.gz TXZQEOINEVFRBE-NSHDSACASA-N 1 0 231.299 2.265 10 0 BEAERO CCC(CC)NC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715487108 712516614 /nfs/dbraw/zinc/51/66/14/712516614.db2.gz SQOQAFZIXBAUHE-BXUZGUMPSA-N 1 0 238.375 2.071 10 0 BEAERO OCC[C@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715490962 712522848 /nfs/dbraw/zinc/52/28/48/712522848.db2.gz NRWQUBVRQOHIJI-BNOWGMLFSA-N 1 0 223.360 2.127 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715529122 712525969 /nfs/dbraw/zinc/52/59/69/712525969.db2.gz DGRVGSOAJOLMFL-GHYVTOPFSA-N 1 0 223.360 2.125 10 0 BEAERO c1ccc(CC[NH2+][C@@H]2CCCC23OCCO3)cc1 ZINC000715600329 712527805 /nfs/dbraw/zinc/52/78/05/712527805.db2.gz WHCZKCFQASPQJR-CQSZACIVSA-N 1 0 247.338 2.114 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C1CC1)c1cn(C)nn1 ZINC000715928800 712543714 /nfs/dbraw/zinc/54/37/14/712543714.db2.gz QGHLYWDGKBRPNX-UHTWSYAYSA-N 1 0 248.374 2.435 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCCCC1CC1 ZINC000716358451 712556390 /nfs/dbraw/zinc/55/63/90/712556390.db2.gz CTSKLHUXAHBNSM-OLZOCXBDSA-N 1 0 238.375 2.058 10 0 BEAERO C[C@]1(C(=O)NCCCCC2CC2)CCCC[NH2+]1 ZINC000716362079 712556664 /nfs/dbraw/zinc/55/66/64/712556664.db2.gz VVTKIJDEFLQBTC-CQSZACIVSA-N 1 0 238.375 2.215 10 0 BEAERO C[C@@]1(C(=O)NCCCCC2CC2)CCCC[NH2+]1 ZINC000716362078 712556671 /nfs/dbraw/zinc/55/66/71/712556671.db2.gz VVTKIJDEFLQBTC-AWEZNQCLSA-N 1 0 238.375 2.215 10 0 BEAERO CCC[C@H]([NH2+]C1CC(C(N)=O)C1)C1CCCC1 ZINC000716705491 712570458 /nfs/dbraw/zinc/57/04/58/712570458.db2.gz JTYWDVXEIVNAKJ-BPCQOVAHSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)CC(CC(C)C)[NH2+]C1CC(C(N)=O)C1 ZINC000716687593 712570466 /nfs/dbraw/zinc/57/04/66/712570466.db2.gz PMZXTLWLMIOVCM-UHFFFAOYSA-N 1 0 240.391 2.301 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)c2ccccc21 ZINC000716724152 712571108 /nfs/dbraw/zinc/57/11/08/712571108.db2.gz SQSWCERRFMERIF-JSRZKYIESA-N 1 0 244.338 2.088 10 0 BEAERO CCc1ccc([C@H](C)[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716723289 712571124 /nfs/dbraw/zinc/57/11/24/712571124.db2.gz OJDKSHXOKJINKT-FNBIGBAISA-N 1 0 246.354 2.164 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)c2ccccc21 ZINC000716724163 712571254 /nfs/dbraw/zinc/57/12/54/712571254.db2.gz SQSWCERRFMERIF-ZIOCXDFPSA-N 1 0 244.338 2.088 10 0 BEAERO CCC[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716722781 712571263 /nfs/dbraw/zinc/57/12/63/712571263.db2.gz LGPJCWKALOEAHW-RUXDESIVSA-N 1 0 246.354 2.381 10 0 BEAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)c1cccs1 ZINC000716769265 712572856 /nfs/dbraw/zinc/57/28/56/712572856.db2.gz HZLJPYYQMYPOTE-RTBKNWGFSA-N 1 0 238.356 2.053 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2nccc3cccnc32)C1 ZINC000716889890 712580734 /nfs/dbraw/zinc/58/07/34/712580734.db2.gz CPVGPPCCUNEDNM-JQWIXIFHSA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2nccc3cccnc32)C1 ZINC000716889900 712580796 /nfs/dbraw/zinc/58/07/96/712580796.db2.gz CPVGPPCCUNEDNM-PWSUYJOCSA-N 1 0 242.326 2.169 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1nccc2cccnc21 ZINC000716901175 712581071 /nfs/dbraw/zinc/58/10/71/712581071.db2.gz VOFFAGDSUPYLHK-UWVGGRQHSA-N 1 0 230.315 2.168 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CCSC(F)(F)F ZINC000380006093 712669742 /nfs/dbraw/zinc/66/97/42/712669742.db2.gz LCIQDOUVDRWALY-ZETCQYMHSA-N 1 0 245.310 2.236 10 0 BEAERO CCn1c(C)nnc1C[NH2+]C1(C2CC2)CCC1 ZINC000717842710 712692361 /nfs/dbraw/zinc/69/23/61/712692361.db2.gz HWBLTCOEXPFLMJ-UHFFFAOYSA-N 1 0 234.347 2.029 10 0 BEAERO [NH3+]C[C@@H]1CCCCN1CCSC(F)(F)F ZINC000123491517 712693740 /nfs/dbraw/zinc/69/37/40/712693740.db2.gz RBJGAFYJRPKEBD-QMMMGPOBSA-N 1 0 242.310 2.053 10 0 BEAERO O[C@H]1CCC[C@H](C[NH2+]C2(C3CC3)CCC2)C1 ZINC000717885774 712731117 /nfs/dbraw/zinc/73/11/17/712731117.db2.gz XMDDPYOUMSFWHS-AAEUAGOBSA-N 1 0 223.360 2.460 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCC(C)(F)F ZINC000718701357 712777696 /nfs/dbraw/zinc/77/76/96/712777696.db2.gz DBTNGRXZSIBZNN-VHSXEESVSA-N 1 0 221.291 2.267 10 0 BEAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000718785572 712783058 /nfs/dbraw/zinc/78/30/58/712783058.db2.gz DGEHINLKZUIZKF-JHJVBQTASA-N 1 0 243.391 2.331 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000718786753 712783117 /nfs/dbraw/zinc/78/31/17/712783117.db2.gz HFTDMZJTUXBXKG-XDQVBPFNSA-N 1 0 241.375 2.227 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCC[C@H](OC)CC2)C1 ZINC000718811797 712783559 /nfs/dbraw/zinc/78/35/59/712783559.db2.gz PKQQBEMGRMNICL-HHTDUIENSA-N 1 0 241.375 2.349 10 0 BEAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC=CCCC1 ZINC000718973431 712790996 /nfs/dbraw/zinc/79/09/96/712790996.db2.gz WEHVXRWPEFAKPF-OLZOCXBDSA-N 1 0 236.359 2.073 10 0 BEAERO [NH3+]CC1(CCNc2ccnc3ncccc23)CC1 ZINC000718985454 712791690 /nfs/dbraw/zinc/79/16/90/712791690.db2.gz GEPSIJPUSVSLJU-UHFFFAOYSA-N 1 0 242.326 2.171 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ccnc3ncccc23)C[NH2+]1 ZINC000718989406 712792091 /nfs/dbraw/zinc/79/20/91/712792091.db2.gz MEKBLRIUOYVMSC-WDEREUQCSA-N 1 0 242.326 2.182 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C/C=C/CO ZINC000719209431 712800494 /nfs/dbraw/zinc/80/04/94/712800494.db2.gz YQCYMXMSXBPYEP-NNNHXZLVSA-N 1 0 211.349 2.483 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]CCn1cncn1 ZINC000719274851 712803081 /nfs/dbraw/zinc/80/30/81/712803081.db2.gz GXONDDDWDRBBEO-GFCCVEGCSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@@H](C)c1noc(CCCC[NH2+]C)n1 ZINC000719673381 712818694 /nfs/dbraw/zinc/81/86/94/712818694.db2.gz WCPSNISDEVZPIH-SECBINFHSA-N 1 0 211.309 2.125 10 0 BEAERO Cc1cccc(-c2cnn(CC[NH3+])c2)c1Cl ZINC000719779680 712824718 /nfs/dbraw/zinc/82/47/18/712824718.db2.gz JKFOQHMZQABJLL-UHFFFAOYSA-N 1 0 235.718 2.471 10 0 BEAERO Cc1conc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000720365531 712835940 /nfs/dbraw/zinc/83/59/40/712835940.db2.gz CCDSJSXBHQSCNH-STQMWFEESA-N 1 0 249.358 2.042 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC12CCC2)c1cn(C)nn1 ZINC000720592197 712855864 /nfs/dbraw/zinc/85/58/64/712855864.db2.gz UMVXUZVWBGQXNS-CMPLNLGQSA-N 1 0 234.347 2.189 10 0 BEAERO CC1(c2nc(C[C@@H]3CCC[NH2+]C3)no2)CCC1 ZINC000720676597 712861460 /nfs/dbraw/zinc/86/14/60/712861460.db2.gz UGSRNZLRHCVDMH-JTQLQIEISA-N 1 0 235.331 2.053 10 0 BEAERO CC(C)(C)Cc1noc(CC(C)(C)C[NH3+])n1 ZINC000720850597 712870912 /nfs/dbraw/zinc/87/09/12/712870912.db2.gz KTSMTAJKOKBHIW-UHFFFAOYSA-N 1 0 225.336 2.186 10 0 BEAERO C[NH2+]C[C@H](C)c1noc([C@H]2CCC[C@@H]2C)n1 ZINC000721049678 712888286 /nfs/dbraw/zinc/88/82/86/712888286.db2.gz FYWNLQFERPZODX-GUBZILKMSA-N 1 0 223.320 2.296 10 0 BEAERO COc1ccc(/C=C/C(=O)CC[N+](C)(C)C)cc1 ZINC000000162358 717087370 /nfs/dbraw/zinc/08/73/70/717087370.db2.gz XJUKULGFGBNLQV-VMPITWQZSA-N 1 0 248.346 2.374 10 0 BEAERO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C1(C)CC1 ZINC000037155176 1165795691 /nfs/dbraw/zinc/79/56/91/1165795691.db2.gz AZHUZTHVVXNZNS-MNOVXSKESA-N 1 0 207.321 2.050 10 0 BEAERO CCCCCCC(=O)NCC[N@H+](C)CC ZINC000119996967 1166270241 /nfs/dbraw/zinc/27/02/41/1166270241.db2.gz HQXARZOYAWYZCB-UHFFFAOYSA-N 1 0 214.353 2.025 10 0 BEAERO FCCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000134860542 1167713995 /nfs/dbraw/zinc/71/39/95/1167713995.db2.gz KDRRHLAOULIZKT-UHFFFAOYSA-N 1 0 239.319 2.383 10 0 BEAERO CCCCC[NH2+]Cc1cnccc1N(C)C ZINC000134997772 1168255713 /nfs/dbraw/zinc/25/57/13/1168255713.db2.gz JEYNLCHXMJTKJU-UHFFFAOYSA-N 1 0 221.348 2.427 10 0 BEAERO C[C@@H]1CCC[C@H]([N@H+](C)CN2CCOC2=S)C1 ZINC000124598358 1168382154 /nfs/dbraw/zinc/38/21/54/1168382154.db2.gz BFOPEMZMJMBCAG-MNOVXSKESA-N 1 0 242.388 2.072 10 0 BEAERO CC[C@H](C)CN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055087089 1169142265 /nfs/dbraw/zinc/14/22/65/1169142265.db2.gz LKGUPTABDQXKOU-SRVKXCTJSA-N 1 0 226.364 2.008 10 0 BEAERO CCN(CC(C)C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055086904 1169142904 /nfs/dbraw/zinc/14/29/04/1169142904.db2.gz OKBCJAGVKNJABV-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCCCCCC1 ZINC000055086778 1169142916 /nfs/dbraw/zinc/14/29/16/1169142916.db2.gz XWSPNTAPTZGDKD-STQMWFEESA-N 1 0 238.375 2.297 10 0 BEAERO FC(F)(F)[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000043495797 985238730 /nfs/dbraw/zinc/23/87/30/985238730.db2.gz OPGQTCMWYKNIIL-VHSXEESVSA-N 1 0 236.281 2.013 10 0 BEAERO C[C@H](Cn1cccn1)[NH2+][C@H](C)C1(C)CC1 ZINC000037155180 1170933154 /nfs/dbraw/zinc/93/31/54/1170933154.db2.gz AZHUZTHVVXNZNS-GHMZBOCLSA-N 1 0 207.321 2.050 10 0 BEAERO O[C@@H](C[NH2+]CCc1ccc(F)cc1)c1ccco1 ZINC000037862829 1170983896 /nfs/dbraw/zinc/98/38/96/1170983896.db2.gz WLNPEOBCYATEQT-ZDUSSCGKSA-N 1 0 249.285 2.284 10 0 BEAERO c1ccc2c(c1)C[C@H](CNc1cc[nH+]cc1)O2 ZINC000038010172 1171002972 /nfs/dbraw/zinc/00/29/72/1171002972.db2.gz BROKPZDYEWNKMR-CYBMUJFWSA-N 1 0 226.279 2.497 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCCN1C)c1ccccn1 ZINC000044562054 1171391665 /nfs/dbraw/zinc/39/16/65/1171391665.db2.gz DQFBLTRVAWEUDJ-QWHCGFSZSA-N 1 0 233.359 2.217 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C)c1ccccn1 ZINC000044562053 1171393703 /nfs/dbraw/zinc/39/37/03/1171393703.db2.gz DQFBLTRVAWEUDJ-OLZOCXBDSA-N 1 0 233.359 2.217 10 0 BEAERO COc1cccc(C[NH2+]C[C@@H]2CCCCN2C)c1 ZINC000044562185 1171399288 /nfs/dbraw/zinc/39/92/88/1171399288.db2.gz MNTSUELPSZBJCD-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CCc1ccccc1C[NH2+][C@H]1CCCCNC1=O ZINC000052201489 1171948999 /nfs/dbraw/zinc/94/89/99/1171948999.db2.gz WDLLBZUAZRHOIG-AWEZNQCLSA-N 1 0 246.354 2.007 10 0 BEAERO C[C@H]1C[C@]2(CC(C)(C)C1)C(=O)CC[N@H+]2C ZINC000685954574 538899449 /nfs/dbraw/zinc/89/94/49/538899449.db2.gz OHOAXCVQODNSEP-MFKMUULPSA-N 1 0 209.333 2.476 10 0 BEAERO CC[N@@H+]1CCC(=O)[C@]12C[C@@H](C)CC[C@H]2C ZINC000685955091 538899926 /nfs/dbraw/zinc/89/99/26/538899926.db2.gz SUYQGVMPHXQSPK-DMDPSCGWSA-N 1 0 209.333 2.476 10 0 BEAERO CC[NH2+]Cc1cnc(C(Cl)(Cl)Cl)[nH]1 ZINC000685958695 538906439 /nfs/dbraw/zinc/90/64/39/538906439.db2.gz DSANXKOUDDVOFJ-UHFFFAOYSA-N 1 0 242.537 2.346 10 0 BEAERO CC[C@]1(C(=O)OC(C)(C)C)C[C@@H](C)C[C@@H]1[NH3+] ZINC000685959262 538906787 /nfs/dbraw/zinc/90/67/87/538906787.db2.gz LLCVERXTXJBKNS-KWBADKCTSA-N 1 0 227.348 2.482 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000685959760 538907012 /nfs/dbraw/zinc/90/70/12/538907012.db2.gz RVTTZEIBHASZGJ-LNLATYFQSA-N 1 0 213.321 2.092 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000685959758 538907188 /nfs/dbraw/zinc/90/71/88/538907188.db2.gz RVTTZEIBHASZGJ-KBVBSXBZSA-N 1 0 213.321 2.092 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C)CC(C)(C)C[C@H]1[NH3+] ZINC000685959876 538907203 /nfs/dbraw/zinc/90/72/03/538907203.db2.gz UHDCGCOBGZKWOA-NOZJJQNGSA-N 1 0 227.348 2.482 10 0 BEAERO COCC[C@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960500 538907846 /nfs/dbraw/zinc/90/78/46/538907846.db2.gz NHQMVJWXCDCOIW-LBPRGKRZSA-N 1 0 235.327 2.018 10 0 BEAERO CC(C)[C@@]1(CO)C[C@H]1C[NH2+]Cc1ccccc1 ZINC000685961817 538908452 /nfs/dbraw/zinc/90/84/52/538908452.db2.gz WQSUJEYFMKDCPZ-GJZGRUSLSA-N 1 0 233.355 2.431 10 0 BEAERO CC[C@@H](C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961406 538908739 /nfs/dbraw/zinc/90/87/39/538908739.db2.gz HPZTZJKEQFPDGX-TZMCWYRMSA-N 1 0 248.370 2.061 10 0 BEAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)C(C)(C)C ZINC000685961444 538908771 /nfs/dbraw/zinc/90/87/71/538908771.db2.gz IIAXDBRXSKMBLK-ZDUSSCGKSA-N 1 0 248.370 2.061 10 0 BEAERO COCCC[NH2+]CCC1(CCOC)CCC1 ZINC000685961759 538908804 /nfs/dbraw/zinc/90/88/04/538908804.db2.gz WAXFWPJHTJGASZ-UHFFFAOYSA-N 1 0 229.364 2.209 10 0 BEAERO C[NH2+][C@@H](C)C(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962436 538908931 /nfs/dbraw/zinc/90/89/31/538908931.db2.gz IBIXXPRIDCGSQH-OLZOCXBDSA-N 1 0 249.354 2.406 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@H]1CCCC(C)(C)C1 ZINC000685963076 538910104 /nfs/dbraw/zinc/91/01/04/538910104.db2.gz GDXPDBIMNNYFPP-NWDGAFQWSA-N 1 0 213.365 2.421 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@H]1CCCC(C)(C)C1 ZINC000685963077 538910172 /nfs/dbraw/zinc/91/01/72/538910172.db2.gz GDXPDBIMNNYFPP-RYUDHWBXSA-N 1 0 213.365 2.421 10 0 BEAERO C=C(OCC)c1cnc(C[NH2+]CC)s1 ZINC000685965275 538911382 /nfs/dbraw/zinc/91/13/82/538911382.db2.gz WZOUIYRYTCWNGO-UHFFFAOYSA-N 1 0 212.318 2.260 10 0 BEAERO C[C@H]1C[C@H]2CC[C@@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000685965650 538912411 /nfs/dbraw/zinc/91/24/11/538912411.db2.gz MWGXDHITUGAYCN-UMSGYPCISA-N 1 0 221.344 2.476 10 0 BEAERO Cc1cc(C)nc(Nc2ccc(CC[NH3+])cc2)n1 ZINC000104319541 177947100 /nfs/dbraw/zinc/94/71/00/177947100.db2.gz AEGDQVQXJULVFQ-UHFFFAOYSA-N 1 0 242.326 2.338 10 0 BEAERO Cc1cc(CC[NH3+])cc(C)c1OC[C@H]1CCOC1 ZINC000049689795 177962534 /nfs/dbraw/zinc/96/25/34/177962534.db2.gz DSRQGILUUYNWNK-AWEZNQCLSA-N 1 0 249.354 2.220 10 0 BEAERO C=Cn1cc(C[NH2+][C@@H]2C[C@H]2CCC)cn1 ZINC000219389581 192025825 /nfs/dbraw/zinc/02/58/25/192025825.db2.gz KXRRXVYUCNLLHW-VXGBXAGGSA-N 1 0 205.305 2.262 10 0 BEAERO CCC(CC)(C[NH2+]C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000051209752 168325468 /nfs/dbraw/zinc/32/54/68/168325468.db2.gz GFSRYYSLOCBPTD-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ccc(N)nc1 ZINC000616598047 398145737 /nfs/dbraw/zinc/14/57/37/398145737.db2.gz MRKXZEQPFVHPQK-LBPRGKRZSA-N 1 0 249.358 2.056 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cccc3nnccc32)C1 ZINC000616611910 349474865 /nfs/dbraw/zinc/47/48/65/349474865.db2.gz WOPFDUCESUFAEM-LLVKDONJSA-N 1 0 227.311 2.439 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)C(C)(C)C ZINC000378720805 346813224 /nfs/dbraw/zinc/81/32/24/346813224.db2.gz GAOUBLFECPNOQA-QJPTWQEYSA-N 1 0 211.349 2.338 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000161599960 349484341 /nfs/dbraw/zinc/48/43/41/349484341.db2.gz BZFSVVBUJKLRFT-LLVKDONJSA-N 1 0 223.291 2.030 10 0 BEAERO CC(C)Cn1cnc2cc(C[NH3+])ccc21 ZINC000062214008 187322803 /nfs/dbraw/zinc/32/28/03/187322803.db2.gz BHLHWWLYRBMYNT-UHFFFAOYSA-N 1 0 203.289 2.151 10 0 BEAERO CC(C)C[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C ZINC000062571017 187323703 /nfs/dbraw/zinc/32/37/03/187323703.db2.gz VBXVSCNNXICGAT-QWHCGFSZSA-N 1 0 212.381 2.351 10 0 BEAERO Cc1noc(C)c1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746586 398168678 /nfs/dbraw/zinc/16/86/78/398168678.db2.gz DOVUALPJEFLLEF-FUNVUKJBSA-N 1 0 249.358 2.006 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC1=CCCCC1 ZINC000379795319 398168794 /nfs/dbraw/zinc/16/87/94/398168794.db2.gz CGGCIEBJRIPQPC-LBPRGKRZSA-N 1 0 211.349 2.483 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCO[C@@H]2C)cs1 ZINC000285817392 178039530 /nfs/dbraw/zinc/03/95/30/178039530.db2.gz HTYKYMDNYLVUTJ-KOLCDFICSA-N 1 0 211.330 2.324 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](c2ccc(O)c(F)c2)S1 ZINC000232448126 398179009 /nfs/dbraw/zinc/17/90/09/398179009.db2.gz INOSUDMLJCMQAZ-LHLIQPBNSA-N 1 0 213.277 2.255 10 0 BEAERO Cc1cc(COc2ccccc2C[C@H](C)[NH3+])on1 ZINC000037724395 178051002 /nfs/dbraw/zinc/05/10/02/178051002.db2.gz LZIWONADRWSEGK-JTQLQIEISA-N 1 0 246.310 2.452 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616617199 398180407 /nfs/dbraw/zinc/18/04/07/398180407.db2.gz MWZVQRWICNGAGH-CYBMUJFWSA-N 1 0 227.311 2.439 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1snnc1C ZINC000379657527 398160469 /nfs/dbraw/zinc/16/04/69/398160469.db2.gz MNHKERVLNGBVCS-IUCAKERBSA-N 1 0 211.334 2.125 10 0 BEAERO Cc1cc(Cl)ccc1OCC[C@@H](O)CC[NH3+] ZINC000041289575 178068675 /nfs/dbraw/zinc/06/86/75/178068675.db2.gz IGDCRZQUWWHTBA-NSHDSACASA-N 1 0 243.734 2.127 10 0 BEAERO Cc1cc(N2CCC[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000274353936 178114682 /nfs/dbraw/zinc/11/46/82/178114682.db2.gz LIFWVSDXOILEKW-CQSZACIVSA-N 1 0 242.326 2.465 10 0 BEAERO CC(C)[C@H](CCO)[NH2+]C[C@H]1Cc2ccccc21 ZINC000231077653 187325819 /nfs/dbraw/zinc/32/58/19/187325819.db2.gz ULXMGLMRNWWLLN-HIFRSBDPSA-N 1 0 233.355 2.323 10 0 BEAERO CCC(CC)(CC)[NH2+]Cc1nnnn1C(C)C ZINC000118989960 398190740 /nfs/dbraw/zinc/19/07/40/398190740.db2.gz HLKWRUWTFXUSGV-UHFFFAOYSA-N 1 0 239.367 2.312 10 0 BEAERO Cc1cc(F)ccc1[C@@H](O)C[NH2+]C(C)C ZINC000055028886 178092355 /nfs/dbraw/zinc/09/23/55/178092355.db2.gz WYPVGOXGRFLDFL-LBPRGKRZSA-N 1 0 211.280 2.166 10 0 BEAERO Cc1cc(F)ccc1[C@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000104123845 178092387 /nfs/dbraw/zinc/09/23/87/178092387.db2.gz SVJVEIRJKUZNAZ-SMDDNHRTSA-N 1 0 237.318 2.341 10 0 BEAERO Cc1cc(N(C)CCC(C)C)[nH+]cc1N ZINC000077300918 178098252 /nfs/dbraw/zinc/09/82/52/178098252.db2.gz CORZGZOCYXVBSD-UHFFFAOYSA-N 1 0 207.321 2.455 10 0 BEAERO Cc1[nH+]ccc(N2CC[C@@H](CCO)C2)c1Cl ZINC000309325304 136217935 /nfs/dbraw/zinc/21/79/35/136217935.db2.gz HUVOEFWXBBEBRP-JTQLQIEISA-N 1 0 240.734 2.252 10 0 BEAERO COc1ccccc1[C@@H]1C[C@@H]2C[NH2+]C[C@@H]12 ZINC000308751982 398196647 /nfs/dbraw/zinc/19/66/47/398196647.db2.gz NFDCQXVGLRUBCP-ADEWGFFLSA-N 1 0 203.285 2.018 10 0 BEAERO Cc1cc(N)ccc1OCC[NH+]1CCCC1 ZINC000040240058 178107481 /nfs/dbraw/zinc/10/74/81/178107481.db2.gz HQVGRSFQLBYLSP-UHFFFAOYSA-N 1 0 220.316 2.052 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCCN2C)s1 ZINC000386253346 398202835 /nfs/dbraw/zinc/20/28/35/398202835.db2.gz SFRHTISLCRBCIT-QWRGUYRKSA-N 1 0 239.388 2.196 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)s1 ZINC000386253345 398202852 /nfs/dbraw/zinc/20/28/52/398202852.db2.gz SFRHTISLCRBCIT-MNOVXSKESA-N 1 0 239.388 2.196 10 0 BEAERO Cc1nccn1CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000162876933 538925334 /nfs/dbraw/zinc/92/53/34/538925334.db2.gz QPMWMLKDTUZUDC-LLVKDONJSA-N 1 0 223.364 2.463 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000380774528 398208003 /nfs/dbraw/zinc/20/80/03/398208003.db2.gz ZSFGUHZPQBMSPA-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO C[N@H+](CCc1ccncc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000386559541 398213497 /nfs/dbraw/zinc/21/34/97/398213497.db2.gz VFMSSSNZJDYWCH-HUUCEWRRSA-N 1 0 248.370 2.107 10 0 BEAERO Cc1cc(NC(=O)[C@@](C)([NH3+])C2CC2)ccc1F ZINC000061119356 178147120 /nfs/dbraw/zinc/14/71/20/178147120.db2.gz XHYDHMIBMUQAIP-ZDUSSCGKSA-N 1 0 236.290 2.200 10 0 BEAERO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)ccn1 ZINC000082698009 178149708 /nfs/dbraw/zinc/14/97/08/178149708.db2.gz GHUPISDJCKSZBL-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO C[C@@H](CC1CCC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638997592 398219027 /nfs/dbraw/zinc/21/90/27/398219027.db2.gz RFKJQJHMLWPINZ-DMDPSCGWSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1cc(NC2CC[NH2+]CC2)nc(C(C)C)n1 ZINC000035663817 178155158 /nfs/dbraw/zinc/15/51/58/178155158.db2.gz UIJUNEATMZEJFT-UHFFFAOYSA-N 1 0 234.347 2.072 10 0 BEAERO Cc1cc(NCc2ccccc2C[NH3+])nc(C)n1 ZINC000061841441 178173411 /nfs/dbraw/zinc/17/34/11/178173411.db2.gz AWQAPQORSAXVJZ-UHFFFAOYSA-N 1 0 242.326 2.164 10 0 BEAERO Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)ncn1 ZINC000097829689 178173806 /nfs/dbraw/zinc/17/38/06/178173806.db2.gz PNFQOKQBBAIPBV-UHFFFAOYSA-N 1 0 240.310 2.000 10 0 BEAERO C[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)CCC1=O ZINC000251798261 187331019 /nfs/dbraw/zinc/33/10/19/187331019.db2.gz NUQKFGFHNWXGHD-KWCYVHTRSA-N 1 0 229.323 2.453 10 0 BEAERO Cc1cc(NN)[nH+]c(Cc2ccc(Cl)cc2)n1 ZINC000051152282 178177758 /nfs/dbraw/zinc/17/77/58/178177758.db2.gz NKEZZUCECXPCLM-UHFFFAOYSA-N 1 0 248.717 2.315 10 0 BEAERO Cc1cc(N[C@@H](C)C[NH+]2CCCC2)ccc1N ZINC000042598626 178179068 /nfs/dbraw/zinc/17/90/68/178179068.db2.gz NHZHXDSIWOAVRM-LBPRGKRZSA-N 1 0 233.359 2.473 10 0 BEAERO Cc1cc(N[C@H](C[NH+](C)C)C(C)C)nc(C)n1 ZINC000049218294 178187563 /nfs/dbraw/zinc/18/75/63/178187563.db2.gz REBVMZOVHMSDMZ-GFCCVEGCSA-N 1 0 236.363 2.092 10 0 BEAERO Cc1cc(O[C@H](C[NH3+])C(F)(F)F)ccc1F ZINC000089065012 178214215 /nfs/dbraw/zinc/21/42/15/178214215.db2.gz BRRAKFWQXRIXKS-SECBINFHSA-N 1 0 237.196 2.403 10 0 BEAERO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]23)ccc1N ZINC000049564625 178190803 /nfs/dbraw/zinc/19/08/03/178190803.db2.gz RJAVKSWWZJLIEZ-UONOGXRCSA-N 1 0 231.343 2.226 10 0 BEAERO CCC[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187696357 259302559 /nfs/dbraw/zinc/30/25/59/259302559.db2.gz WGVPJGOYCWNLBP-RYUDHWBXSA-N 1 0 221.348 2.398 10 0 BEAERO Cc1cc(Oc2cccc(C[NH3+])c2)ncn1 ZINC000011849406 178214010 /nfs/dbraw/zinc/21/40/10/178214010.db2.gz FCQFCJYBUQMVJV-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1cc(O[C@H]2COCC[C@H]2[NH3+])ccc1Cl ZINC000049956242 178214081 /nfs/dbraw/zinc/21/40/81/178214081.db2.gz GEKOOOJSOWXPFW-NEPJUHHUSA-N 1 0 241.718 2.143 10 0 BEAERO Cc1cc(OCC[C@@H](O)CC[NH3+])ccc1Cl ZINC000041289584 178211275 /nfs/dbraw/zinc/21/12/75/178211275.db2.gz JIEIWIOMTGUBJR-JTQLQIEISA-N 1 0 243.734 2.127 10 0 BEAERO Cc1cc(O[C@@H]2COCC[C@@H]2[NH3+])ccc1Cl ZINC000049956239 178213557 /nfs/dbraw/zinc/21/35/57/178213557.db2.gz GEKOOOJSOWXPFW-NWDGAFQWSA-N 1 0 241.718 2.143 10 0 BEAERO Cc1cc(O[C@@H]2COCC[C@H]2[NH3+])ccc1Cl ZINC000049956241 178213580 /nfs/dbraw/zinc/21/35/80/178213580.db2.gz GEKOOOJSOWXPFW-VXGBXAGGSA-N 1 0 241.718 2.143 10 0 BEAERO Cc1cc(SCCOCC[NH3+])ccc1F ZINC000057518201 178217921 /nfs/dbraw/zinc/21/79/21/178217921.db2.gz BGWQSMRYLGBGJE-UHFFFAOYSA-N 1 0 229.320 2.202 10 0 BEAERO Cc1cc(Sc2cnn(C)c2)ccc1CC[NH3+] ZINC000104449503 178219184 /nfs/dbraw/zinc/21/91/84/178219184.db2.gz XMCXXWHRRJQGFD-UHFFFAOYSA-N 1 0 247.367 2.381 10 0 BEAERO C[NH2+]C[C@@H]1C[C@H]1c1ncc(Cl)s1 ZINC000223244947 398232839 /nfs/dbraw/zinc/23/28/39/398232839.db2.gz VFMPBQKSYPOQCO-NTSWFWBYSA-N 1 0 202.710 2.119 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]C2COC2)c(C)s1 ZINC000082488367 178222598 /nfs/dbraw/zinc/22/25/98/178222598.db2.gz DBYPCLCVYWHGNY-MRVPVSSYSA-N 1 0 211.330 2.414 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@H]2CCCOC2)c(C)o1 ZINC000062234651 178237003 /nfs/dbraw/zinc/23/70/03/178237003.db2.gz YNJPKKRKJPTXCX-JQWIXIFHSA-N 1 0 209.289 2.323 10 0 BEAERO Cc1cc([C@@H](O)C2CC[NH2+]CC2)ccc1F ZINC000011630789 178237756 /nfs/dbraw/zinc/23/77/56/178237756.db2.gz QHFGISNAURARAG-ZDUSSCGKSA-N 1 0 223.291 2.167 10 0 BEAERO Cc1cc([C@@H](O)C[NH2+]CC(C)C)ccc1F ZINC000049820122 178239035 /nfs/dbraw/zinc/23/90/35/178239035.db2.gz AYGQRFMHNDUNTC-ZDUSSCGKSA-N 1 0 225.307 2.413 10 0 BEAERO C[C@H]([NH3+])c1csc(CC(F)(F)F)n1 ZINC000070840010 361782150 /nfs/dbraw/zinc/78/21/50/361782150.db2.gz VMROLCVUHCITTM-BYPYZUCNSA-N 1 0 210.224 2.268 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C(C)(C)C(N)=O)c(C)s1 ZINC000040674392 178245526 /nfs/dbraw/zinc/24/55/26/178245526.db2.gz JPWRDEYLAZYOGU-QMMMGPOBSA-N 1 0 240.372 2.279 10 0 BEAERO Cc1cc([C@H](O)C(C)(C)C[NH3+])ccc1F ZINC000082641650 178264584 /nfs/dbraw/zinc/26/45/84/178264584.db2.gz ZNCLKMXHYQTJPV-NSHDSACASA-N 1 0 211.280 2.152 10 0 BEAERO CC(=O)N1CC[C@H](n2ccnc2)c2ccccc21 ZINC000616589182 349528480 /nfs/dbraw/zinc/52/84/80/349528480.db2.gz QSMTZEJBBYNNFF-ZDUSSCGKSA-N 1 0 241.294 2.229 10 0 BEAERO CCC(CC)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000037784316 168362480 /nfs/dbraw/zinc/36/24/80/168362480.db2.gz TXGCLSVQTRITDN-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO CCC(CC)C[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000037784317 168363213 /nfs/dbraw/zinc/36/32/13/168363213.db2.gz TXGCLSVQTRITDN-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1cc2c(c(C)c1Cl)C[C@H](C[NH3+])O2 ZINC000020221787 178282011 /nfs/dbraw/zinc/28/20/11/178282011.db2.gz PXPZGLCWZZMZJG-MRVPVSSYSA-N 1 0 211.692 2.219 10 0 BEAERO Cc1cc2c(cc1C)[S@](=O)CCC[C@@H]2[NH3+] ZINC000040974996 178287094 /nfs/dbraw/zinc/28/70/94/178287094.db2.gz WONRZYBSIWCUNT-NHYWBVRUSA-N 1 0 223.341 2.205 10 0 BEAERO COc1c(C[NH2+]C[C@H]2CC=CCC2)c(C)nn1C ZINC000134150120 398240590 /nfs/dbraw/zinc/24/05/90/398240590.db2.gz AYEVJOJPCFPJJU-LBPRGKRZSA-N 1 0 249.358 2.183 10 0 BEAERO Cc1cc2nc(C(C)(C)[NH3+])[nH]c2cc1C ZINC000051848086 178300662 /nfs/dbraw/zinc/30/06/62/178300662.db2.gz VOQMQSVMEHWMAS-UHFFFAOYSA-N 1 0 203.289 2.374 10 0 BEAERO Cc1cc2nc(C[C@H](C)[NH3+])[nH]c2cc1C ZINC000051847962 178301404 /nfs/dbraw/zinc/30/14/04/178301404.db2.gz PWUNFSKTLWUTGA-VIFPVBQESA-N 1 0 203.289 2.069 10 0 BEAERO Cc1nc2cc(C)c(C)cc2n1CCC[NH3+] ZINC000004057636 178302556 /nfs/dbraw/zinc/30/25/56/178302556.db2.gz PXYRYUMOPIPCSY-UHFFFAOYSA-N 1 0 217.316 2.310 10 0 BEAERO Cc1cc2ncc(C[NH2+]C3CCCCC3)cn2n1 ZINC000070166145 178303875 /nfs/dbraw/zinc/30/38/75/178303875.db2.gz SPLTUYNPZSERJY-UHFFFAOYSA-N 1 0 244.342 2.460 10 0 BEAERO Cc1cc2c(n1C[C@H]1CCOC1)CCC[C@@H]2[NH3+] ZINC000061148226 178293288 /nfs/dbraw/zinc/29/32/88/178293288.db2.gz RBFFWSXXLUZBHJ-YPMHNXCESA-N 1 0 234.343 2.169 10 0 BEAERO CC1(C)C[NH2+]CCN1C[C@@H]1CCCCC1(F)F ZINC000381585509 398254158 /nfs/dbraw/zinc/25/41/58/398254158.db2.gz CMPHVQGHSMXBDJ-NSHDSACASA-N 1 0 246.345 2.496 10 0 BEAERO Cc1ccc(-c2n[nH]c3c2C[N@H+](C)CC3)cc1 ZINC000028022542 178316753 /nfs/dbraw/zinc/31/67/53/178316753.db2.gz VCSQYSFKBXAEFY-UHFFFAOYSA-N 1 0 227.311 2.373 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000037504892 168367158 /nfs/dbraw/zinc/36/71/58/168367158.db2.gz BIAFAZMZTKJRQI-AWEZNQCLSA-N 1 0 248.370 2.203 10 0 BEAERO CCC(CC)N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000050942496 168367205 /nfs/dbraw/zinc/36/72/05/168367205.db2.gz OFWXRHAQGRHNSR-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO CCC(CC)N(C)C(=O)C1(CC)CC[NH2+]CC1 ZINC000062848271 168367341 /nfs/dbraw/zinc/36/73/41/168367341.db2.gz DAOFPQVSKJLLHD-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO CCC(CC)N(C)C(=O)c1cccc(C[NH3+])c1 ZINC000036788532 168367419 /nfs/dbraw/zinc/36/74/19/168367419.db2.gz IWSJXLUVLCLKQF-UHFFFAOYSA-N 1 0 234.343 2.406 10 0 BEAERO Cc1ccc(-c2nc(C[NH3+])co2)cc1F ZINC000082639995 178334152 /nfs/dbraw/zinc/33/41/52/178334152.db2.gz ZHAKHQYHZRDCCY-UHFFFAOYSA-N 1 0 206.220 2.248 10 0 BEAERO Cc1ccc(-c2nnsc2C[NH3+])c(C)c1 ZINC000082366339 178342854 /nfs/dbraw/zinc/34/28/54/178342854.db2.gz RVCNFDJWFGADGH-UHFFFAOYSA-N 1 0 219.313 2.281 10 0 BEAERO Cc1ccc(-n2ncc(C[NH2+]C(C)(C)C)n2)cc1 ZINC000051174656 178349987 /nfs/dbraw/zinc/34/99/87/178349987.db2.gz VIKRKSXXNYLKQB-UHFFFAOYSA-N 1 0 244.342 2.464 10 0 BEAERO Cc1c(C[NH3+])cnn1-c1ccc(C)cc1C ZINC000048218334 178349282 /nfs/dbraw/zinc/34/92/82/178349282.db2.gz DQDLIWQCYMKMQV-UHFFFAOYSA-N 1 0 215.300 2.256 10 0 BEAERO Cc1ccc(-c2csc(CC[NH3+])n2)o1 ZINC000019478494 178329745 /nfs/dbraw/zinc/32/97/45/178329745.db2.gz WVJSHHXTAOPIFM-UHFFFAOYSA-N 1 0 208.286 2.213 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000378731042 346819832 /nfs/dbraw/zinc/81/98/32/346819832.db2.gz KYFMGGLIJGEMNS-IGQOVBAYSA-N 1 0 223.360 2.482 10 0 BEAERO CCC(CC)N(CC[NH3+])C(=O)c1occc1C ZINC000104325804 168372219 /nfs/dbraw/zinc/37/22/19/168372219.db2.gz JYXGVFOIOHJOOA-UHFFFAOYSA-N 1 0 238.331 2.178 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCCC2(F)F)CC[NH2+]1 ZINC000381600478 398266296 /nfs/dbraw/zinc/26/62/96/398266296.db2.gz GHSQGFFJBANONJ-GHMZBOCLSA-N 1 0 232.318 2.106 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@@H](CN)C(C)(C)C ZINC000042614993 168373548 /nfs/dbraw/zinc/37/35/48/168373548.db2.gz FMXAKVHLCMZMDC-ZDUSSCGKSA-N 1 0 244.423 2.497 10 0 BEAERO Cc1ccc(C(=O)C[NH2+]C2CC2)c(C)c1 ZINC000041612640 178373319 /nfs/dbraw/zinc/37/33/19/178373319.db2.gz PLSRECNAYKPFEO-UHFFFAOYSA-N 1 0 203.285 2.238 10 0 BEAERO CCC(CC)[N@H+](CCOC)C1(CN)CCCC1 ZINC000042615122 168374796 /nfs/dbraw/zinc/37/47/96/168374796.db2.gz VOVVHLSAOUQYBK-UHFFFAOYSA-N 1 0 242.407 2.395 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@@H]1CCCC[C@@H]1N ZINC000042616016 168375172 /nfs/dbraw/zinc/37/51/72/168375172.db2.gz WPGVJAISNFLIGV-UONOGXRCSA-N 1 0 242.407 2.393 10 0 BEAERO CCC(CC)N(CCOC)c1cc[nH+]cc1N ZINC000042614417 168376144 /nfs/dbraw/zinc/37/61/44/168376144.db2.gz YRWOUAZITBXOJF-UHFFFAOYSA-N 1 0 237.347 2.305 10 0 BEAERO C[C@@H](C[NH2+][C@@H]1C[C@H]1CO)c1cccc(Cl)c1 ZINC000378800965 346838120 /nfs/dbraw/zinc/83/81/20/346838120.db2.gz UEAOBMAMXQIAHT-XHVZSJERSA-N 1 0 239.746 2.414 10 0 BEAERO C[C@@H]([NH3+])[C@@](C)(O)c1cccc(Br)c1 ZINC000096985904 343999447 /nfs/dbraw/zinc/99/94/47/343999447.db2.gz OIRMXUMJCBWAQQ-GMSGAONNSA-N 1 0 244.132 2.004 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616613113 349600544 /nfs/dbraw/zinc/60/05/44/349600544.db2.gz MMACEGNQZQVGDX-CYBMUJFWSA-N 1 0 227.311 2.439 10 0 BEAERO Cc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1C ZINC000189097792 346858213 /nfs/dbraw/zinc/85/82/13/346858213.db2.gz FDMGSKVFDZVRFI-ZDUSSCGKSA-N 1 0 246.354 2.014 10 0 BEAERO Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC000038048932 178424710 /nfs/dbraw/zinc/42/47/10/178424710.db2.gz RBBYELVZEXZYLK-UONOGXRCSA-N 1 0 246.354 2.303 10 0 BEAERO C[C@@H]1[NH2+]CCO[C@@H]1c1cccc(Cl)c1 ZINC000037405043 538962886 /nfs/dbraw/zinc/96/28/86/538962886.db2.gz BOFUZZAQNVYZFF-KWQFWETISA-N 1 0 211.692 2.389 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1c1cccc(C(F)(F)F)n1 ZINC000385213628 342692662 /nfs/dbraw/zinc/69/26/62/342692662.db2.gz FGAQQNCTPVUAGV-SFYZADRCSA-N 1 0 245.248 2.026 10 0 BEAERO Cc1ccc2c(cccc2N2CC[NH2+][C@@H](C)C2)n1 ZINC000083369690 398278121 /nfs/dbraw/zinc/27/81/21/398278121.db2.gz MYNPYFPLJSFGGY-LBPRGKRZSA-N 1 0 241.338 2.341 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccco1 ZINC000037165960 538961747 /nfs/dbraw/zinc/96/17/47/538961747.db2.gz QYLRZEGIXWRCLA-AXFHLTTASA-N 1 0 209.289 2.234 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)cs1 ZINC000037166259 538961819 /nfs/dbraw/zinc/96/18/19/538961819.db2.gz MBNVBLHJGAKLOK-GDPRMGEGSA-N 1 0 240.372 2.406 10 0 BEAERO CN(C)c1ccc2ccc(N(C)C)[nH+]c2c1 ZINC000001871601 342713314 /nfs/dbraw/zinc/71/33/14/342713314.db2.gz BJMKWCAYYIEIQS-UHFFFAOYSA-N 1 0 215.300 2.367 10 0 BEAERO CN(C)c1ccc2[nH]cc(C[NH+](C)C)c2c1 ZINC000002029789 342714943 /nfs/dbraw/zinc/71/49/43/342714943.db2.gz FRUJOVGZUUVHGQ-UHFFFAOYSA-N 1 0 217.316 2.296 10 0 BEAERO [NH3+]Cc1cccc2c1cnn2[C@H]1CCCCO1 ZINC000144776966 342750302 /nfs/dbraw/zinc/75/03/02/342750302.db2.gz ZCOAYWRMIOYYQP-CYBMUJFWSA-N 1 0 231.299 2.194 10 0 BEAERO CCC(CC)NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019427783 168384590 /nfs/dbraw/zinc/38/45/90/168384590.db2.gz OCNIQQYWRGVVRN-KGYLQXTDSA-N 1 0 238.375 2.212 10 0 BEAERO Cc1cc2c(c(Br)c1)OC[C@H]2[NH3+] ZINC000035653842 342754137 /nfs/dbraw/zinc/75/41/37/342754137.db2.gz RDKIDNXSTFYSBI-MRVPVSSYSA-N 1 0 228.089 2.150 10 0 BEAERO COc1ccc2c(c1)CC[C@@]1(CCCC[NH2+]1)C2=O ZINC000146586305 342770003 /nfs/dbraw/zinc/77/00/03/342770003.db2.gz GBSSQDLOVJWBJA-HNNXBMFYSA-N 1 0 245.322 2.336 10 0 BEAERO COc1ccc(CNc2cc(C[NH3+])ccn2)cc1 ZINC000147274856 342774341 /nfs/dbraw/zinc/77/43/41/342774341.db2.gz QGXGLQYHZYGNTP-UHFFFAOYSA-N 1 0 243.310 2.161 10 0 BEAERO Cn1cc[nH+]c1NCc1cccc(F)c1 ZINC000008699740 342802533 /nfs/dbraw/zinc/80/25/33/342802533.db2.gz JNWFELRZCGGAPE-UHFFFAOYSA-N 1 0 205.236 2.171 10 0 BEAERO [NH3+]Cc1ccc(CCF)c(Br)c1 ZINC000147714171 342779202 /nfs/dbraw/zinc/77/92/02/342779202.db2.gz SNFWICDFJPQYHR-UHFFFAOYSA-N 1 0 232.096 2.420 10 0 BEAERO CC[C@@H]1C[C@]1([NH3+])c1cccc(-n2cccn2)c1 ZINC000147697924 342779551 /nfs/dbraw/zinc/77/95/51/342779551.db2.gz VTOJIHOHIGHWJD-BXUZGUMPSA-N 1 0 227.311 2.456 10 0 BEAERO [NH3+][C@H]1COc2c1cc(Cl)cc2Cl ZINC000008699628 342802638 /nfs/dbraw/zinc/80/26/38/342802638.db2.gz OKEOLIUJGZJCIX-ZETCQYMHSA-N 1 0 204.056 2.386 10 0 BEAERO COCc1nc(C[NH2+]C[C@H]2CC2(C)C)cs1 ZINC000309684450 342787742 /nfs/dbraw/zinc/78/77/42/342787742.db2.gz GZSZJQCDGLLLRV-SECBINFHSA-N 1 0 240.372 2.425 10 0 BEAERO CO[C@H]1CCc2cccc([C@H](C)C[NH3+])c2C1 ZINC000148523870 342791458 /nfs/dbraw/zinc/79/14/58/342791458.db2.gz VHRHMUHVBFVMHE-PWSUYJOCSA-N 1 0 219.328 2.253 10 0 BEAERO C[C@H]1CCC[N@@H+]1[C@@H]1Cc2ccc(O)cc2C1 ZINC000148651910 342791833 /nfs/dbraw/zinc/79/18/33/342791833.db2.gz IVUPHSONVWIOPG-GXFFZTMASA-N 1 0 217.312 2.344 10 0 BEAERO O=C1CCC2=C(CC[NH2+]C2)N1c1ccccc1 ZINC000149826139 342794907 /nfs/dbraw/zinc/79/49/07/342794907.db2.gz BEYCQKWBUUHVAE-UHFFFAOYSA-N 1 0 228.295 2.061 10 0 BEAERO CC[NH2+][C@H](C)CNc1nccc2occc21 ZINC000387487463 342798586 /nfs/dbraw/zinc/79/85/86/342798586.db2.gz XYTADLHQPXLIFA-SECBINFHSA-N 1 0 219.288 2.238 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccsc1 ZINC000085535174 488181591 /nfs/dbraw/zinc/18/15/91/488181591.db2.gz CMXQRYFIAXCEAU-WPRPVWTQSA-N 1 0 224.329 2.062 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCN(C)C1 ZINC000040672722 538972844 /nfs/dbraw/zinc/97/28/44/538972844.db2.gz FJTHYLCPZMNSTN-CHWSQXEVSA-N 1 0 236.359 2.285 10 0 BEAERO C[C@]1(c2cncn2Cc2ccccc2)CC[NH2+]C1 ZINC000097007762 344003887 /nfs/dbraw/zinc/00/38/87/344003887.db2.gz GYOOFSWQFAEGDY-HNNXBMFYSA-N 1 0 241.338 2.182 10 0 BEAERO CC(C)[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000085576459 398289383 /nfs/dbraw/zinc/28/93/83/398289383.db2.gz STHSREAKTDKTMW-ZDUSSCGKSA-N 1 0 219.328 2.029 10 0 BEAERO [NH3+]C1CC(Oc2ccc(Cl)c(F)c2)C1 ZINC000134399113 342826559 /nfs/dbraw/zinc/82/65/59/342826559.db2.gz BUDHFQGCESNIBI-UHFFFAOYSA-N 1 0 215.655 2.348 10 0 BEAERO [NH3+][C@H](c1ccsn1)C1CCSCC1 ZINC000401488842 342827064 /nfs/dbraw/zinc/82/70/64/342827064.db2.gz WRBODNVFUUHTTP-VIFPVBQESA-N 1 0 214.359 2.286 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382407427 361936184 /nfs/dbraw/zinc/93/61/84/361936184.db2.gz BVFNSEFONHYIHQ-NEPJUHHUSA-N 1 0 248.374 2.448 10 0 BEAERO CCC(CC)[C@@H](C)[NH2+]C[C@H](O)COCC(C)C ZINC000104441980 168399774 /nfs/dbraw/zinc/39/97/74/168399774.db2.gz IUZWAONOIMVWFN-OCCSQVGLSA-N 1 0 245.407 2.434 10 0 BEAERO COC[C@H](CC(C)C)[NH2+]CC[C@@H]1CCCO1 ZINC000381346118 538998592 /nfs/dbraw/zinc/99/85/92/538998592.db2.gz ZCJKKXTVCMIDHA-STQMWFEESA-N 1 0 229.364 2.206 10 0 BEAERO CCC(CC)[C@@H](C)[NH2+]CC(=O)NC1CCCC1 ZINC000104437340 168399600 /nfs/dbraw/zinc/39/96/00/168399600.db2.gz XTDIGXJCKZKVIE-LLVKDONJSA-N 1 0 240.391 2.460 10 0 BEAERO C[C@H]1C[C@@]2(CS1)[NH2+]C[C@@H](C)CS2 ZINC000226587285 342842504 /nfs/dbraw/zinc/84/25/04/342842504.db2.gz YFMNBZORCATZLI-HRDYMLBCSA-N 1 0 203.376 2.181 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@@H]1c1cc(F)ccc1F ZINC000211640926 539026236 /nfs/dbraw/zinc/02/62/36/539026236.db2.gz DECBJGFGSJTVLI-JOYOIKCWSA-N 1 0 226.270 2.059 10 0 BEAERO CC(C)C[NH2+]Cc1nc(CN2CCC2)cs1 ZINC000390605701 539026519 /nfs/dbraw/zinc/02/65/19/539026519.db2.gz XOLYQZGOFWEGJZ-UHFFFAOYSA-N 1 0 239.388 2.094 10 0 BEAERO CC[C@@](C)(OC)[C@H]1[NH2+]CCc2occc21 ZINC000709945850 539027895 /nfs/dbraw/zinc/02/78/95/539027895.db2.gz WWXKPCBQSXIIAK-NWDGAFQWSA-N 1 0 209.289 2.282 10 0 BEAERO [NH3+][C@@]1(c2sccc2Cl)CCCOC1 ZINC000229927364 342855689 /nfs/dbraw/zinc/85/56/89/342855689.db2.gz FRQMQQPJTTUGFM-VIFPVBQESA-N 1 0 217.721 2.366 10 0 BEAERO [NH3+][C@H]1CC[C@](O)(c2sccc2Cl)C1 ZINC000229924922 342855695 /nfs/dbraw/zinc/85/56/95/342855695.db2.gz RTJHAPUUHGYONV-IMTBSYHQSA-N 1 0 217.721 2.100 10 0 BEAERO [NH3+][C@H]1CC[C@@](O)(c2sccc2Cl)C1 ZINC000229924904 342855680 /nfs/dbraw/zinc/85/56/80/342855680.db2.gz RTJHAPUUHGYONV-RCOVLWMOSA-N 1 0 217.721 2.100 10 0 BEAERO CC[C@H]1CN=C(NCC(F)(F)F)S1 ZINC000229999968 342862830 /nfs/dbraw/zinc/86/28/30/342862830.db2.gz CTOOUAQUQHRTIV-YFKPBYRVSA-N 1 0 212.240 2.020 10 0 BEAERO Cn1cccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091979364 398304244 /nfs/dbraw/zinc/30/42/44/398304244.db2.gz GFFHVKIIEUQWBM-KBPBESRZSA-N 1 0 234.343 2.169 10 0 BEAERO CS[C@H]1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000117393723 398311486 /nfs/dbraw/zinc/31/14/86/398311486.db2.gz RWYUTHGVVSMAQF-RYUDHWBXSA-N 1 0 237.372 2.240 10 0 BEAERO [NH3+][C@@H]1CSCc2cc(F)cc(F)c21 ZINC000165053569 342872174 /nfs/dbraw/zinc/87/21/74/342872174.db2.gz YURPOXJXYMGNJX-MRVPVSSYSA-N 1 0 201.241 2.211 10 0 BEAERO [NH3+][C@H]1CSCc2cc(F)cc(F)c21 ZINC000165053451 342872193 /nfs/dbraw/zinc/87/21/93/342872193.db2.gz YURPOXJXYMGNJX-QMMMGPOBSA-N 1 0 201.241 2.211 10 0 BEAERO C[C@](F)(C[NH3+])Cc1cc(F)cc(F)c1 ZINC000165061824 342873348 /nfs/dbraw/zinc/87/33/48/342873348.db2.gz MFOHBRQIDWCXKL-SNVBAGLBSA-N 1 0 203.207 2.194 10 0 BEAERO C[C@@H]1CN(c2sccc2Cl)CC[NH2+]1 ZINC000229947125 342858380 /nfs/dbraw/zinc/85/83/80/342858380.db2.gz MXOIZTWJCXYSIX-SSDOTTSWSA-N 1 0 216.737 2.200 10 0 BEAERO [NH3+]Cc1c(Br)cccc1NC1CC1 ZINC000164949773 342860541 /nfs/dbraw/zinc/86/05/41/342860541.db2.gz XBYNGODFUZDZOW-UHFFFAOYSA-N 1 0 241.132 2.482 10 0 BEAERO CC(C)[C@H](C)C[NH2+]CCNC(=O)OC(C)(C)C ZINC000134729683 342879633 /nfs/dbraw/zinc/87/96/33/342879633.db2.gz UVNKOBYBUZHKHA-LLVKDONJSA-N 1 0 244.379 2.393 10 0 BEAERO CC(C)[C@@H](C)C[NH2+]CCNC(=O)OC(C)(C)C ZINC000134729664 342879792 /nfs/dbraw/zinc/87/97/92/342879792.db2.gz UVNKOBYBUZHKHA-NSHDSACASA-N 1 0 244.379 2.393 10 0 BEAERO Cc1ccsc1[C@@H](CO)[NH2+]CC(C)C ZINC000041675025 398320790 /nfs/dbraw/zinc/32/07/90/398320790.db2.gz UFZUGDBHNHVTQB-SNVBAGLBSA-N 1 0 213.346 2.336 10 0 BEAERO [NH3+][C@H]1CCOc2ccc(C(F)(F)F)cc21 ZINC000016082998 342905894 /nfs/dbraw/zinc/90/58/94/342905894.db2.gz UPEDVFHMBQZINU-QMMMGPOBSA-N 1 0 217.190 2.488 10 0 BEAERO CCOC(=O)c1ccccc1[C@H]1CCC[NH2+]1 ZINC000309168550 342900361 /nfs/dbraw/zinc/90/03/61/342900361.db2.gz JBAGHMVOPQCXNP-GFCCVEGCSA-N 1 0 219.284 2.288 10 0 BEAERO C[N@H+](Cc1nc2ccccc2o1)C(C)(C)CO ZINC000134847123 342901679 /nfs/dbraw/zinc/90/16/79/342901679.db2.gz WZOMMTMMLCEROO-UHFFFAOYSA-N 1 0 234.299 2.031 10 0 BEAERO C[C@](C[NH3+])(Nc1nc(Cl)cs1)C1CC1 ZINC000165341193 342915376 /nfs/dbraw/zinc/91/53/76/342915376.db2.gz SSQVIUAOUVIHOE-SECBINFHSA-N 1 0 231.752 2.336 10 0 BEAERO CC[N@H+](CC(C)C)C[C@@H](N)CC(C)C ZINC000037111780 342920830 /nfs/dbraw/zinc/92/08/30/342920830.db2.gz ICPRVSIBQFRFDV-LBPRGKRZSA-N 1 0 200.370 2.338 10 0 BEAERO CC[N@H+](CC(C)C)C[C@H](N)CC(C)C ZINC000037111779 342920879 /nfs/dbraw/zinc/92/08/79/342920879.db2.gz ICPRVSIBQFRFDV-GFCCVEGCSA-N 1 0 200.370 2.338 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000047980083 342930359 /nfs/dbraw/zinc/93/03/59/342930359.db2.gz YVGZXEAEUBHFKN-SSDOTTSWSA-N 1 0 246.232 2.252 10 0 BEAERO CC[C@H]([NH3+])c1coc(Br)c1 ZINC000238320085 398338588 /nfs/dbraw/zinc/33/85/88/398338588.db2.gz HKFIFIBCVZAWTA-LURJTMIESA-N 1 0 204.067 2.452 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)C ZINC000042975098 398331538 /nfs/dbraw/zinc/33/15/38/398331538.db2.gz UXYJAUSHLNYSMD-LDYMZIIASA-N 1 0 212.724 2.290 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000037765415 398334269 /nfs/dbraw/zinc/33/42/69/398334269.db2.gz ITFRPVOKVAOERY-DGCLKSJQSA-N 1 0 234.343 2.218 10 0 BEAERO c1cc2c(c(C[NH2+]CC[C@H]3CCCO3)c1)OCO2 ZINC000037991374 398335469 /nfs/dbraw/zinc/33/54/69/398335469.db2.gz VDMABBAEXKFQSN-GFCCVEGCSA-N 1 0 249.310 2.074 10 0 BEAERO c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000037988629 398335491 /nfs/dbraw/zinc/33/54/91/398335491.db2.gz HSJVJRZOINWGKY-CYBMUJFWSA-N 1 0 205.301 2.345 10 0 BEAERO CCc1nnc(C[NH2+][C@H]2CCCC[C@@H]2C)n1C ZINC000162375439 349677289 /nfs/dbraw/zinc/67/72/89/349677289.db2.gz NUZCRLULROUBGL-QWRGUYRKSA-N 1 0 236.363 2.046 10 0 BEAERO CCC(CC)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158837178 398341561 /nfs/dbraw/zinc/34/15/61/398341561.db2.gz JTMQCCDPGLUWAN-WCQYABFASA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000335598242 398341787 /nfs/dbraw/zinc/34/17/87/398341787.db2.gz VSNDFPRJNZWEPE-PWSUYJOCSA-N 1 0 246.310 2.173 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000335598217 398341820 /nfs/dbraw/zinc/34/18/20/398341820.db2.gz VSNDFPRJNZWEPE-CMPLNLGQSA-N 1 0 246.310 2.173 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC000335768385 398342531 /nfs/dbraw/zinc/34/25/31/398342531.db2.gz DYVXFWXDEKKUEG-WCQYABFASA-N 1 0 238.375 2.214 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCc1ccncc1 ZINC000175361106 346895425 /nfs/dbraw/zinc/89/54/25/346895425.db2.gz ZMPFXCMACYJLOW-OAHLLOKOSA-N 1 0 247.386 2.040 10 0 BEAERO CC(C)CN1C[C@H]([NH3+])c2cc(F)ccc21 ZINC000019795820 342958328 /nfs/dbraw/zinc/95/83/28/342958328.db2.gz BOJBTFAOPRSYFI-NSHDSACASA-N 1 0 208.280 2.302 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000123173737 178475262 /nfs/dbraw/zinc/47/52/62/178475262.db2.gz UYOFXDPWPNPQPT-STQMWFEESA-N 1 0 221.344 2.410 10 0 BEAERO Cc1cccc(C)c1NC(=O)CC[C@H](C)[NH3+] ZINC000027893897 187208475 /nfs/dbraw/zinc/20/84/75/187208475.db2.gz HHAZTDHVUNAVFB-NSHDSACASA-N 1 0 220.316 2.369 10 0 BEAERO CCc1cc(NC[C@H]2CCC[C@H]2O)cc[nH+]1 ZINC000307775039 529557697 /nfs/dbraw/zinc/55/76/97/529557697.db2.gz GGEDGAAANSWFTC-ZWNOBZJWSA-N 1 0 220.316 2.217 10 0 BEAERO Cc1ccc(C)c(Cn2cnc(C[NH3+])c2)c1 ZINC000071519344 178478301 /nfs/dbraw/zinc/47/83/01/178478301.db2.gz XIXKDXSIYGOISJ-UHFFFAOYSA-N 1 0 215.300 2.007 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000042205078 342995737 /nfs/dbraw/zinc/99/57/37/342995737.db2.gz NVFDGSNBFSLHNN-RYUDHWBXSA-N 1 0 246.354 2.313 10 0 BEAERO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000042579479 343000353 /nfs/dbraw/zinc/00/03/53/343000353.db2.gz UOTSBMJNWFOBOV-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000308892976 259340582 /nfs/dbraw/zinc/34/05/82/259340582.db2.gz XUNZXIBXWJWFQK-WRWORJQWSA-N 1 0 246.137 2.464 10 0 BEAERO CCCC(CCC)C(=O)N1CCC([NH2+]C)CC1 ZINC000211864749 343012650 /nfs/dbraw/zinc/01/26/50/343012650.db2.gz ZQEJHQASHCDVNT-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO Clc1cccc(C[NH2+]CCc2c[nH]cn2)c1 ZINC000045946319 343013104 /nfs/dbraw/zinc/01/31/04/343013104.db2.gz GEOOJYJTMIQBQG-UHFFFAOYSA-N 1 0 235.718 2.395 10 0 BEAERO OCC[C@]1(c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000117710120 343013249 /nfs/dbraw/zinc/01/32/49/343013249.db2.gz GABAJZNDUMSNHH-CYBMUJFWSA-N 1 0 239.746 2.344 10 0 BEAERO C[C@H]([NH3+])[C@@H](n1cc(Cl)cn1)C(C)(C)C ZINC000043294978 343038013 /nfs/dbraw/zinc/03/80/13/343038013.db2.gz MCBZCUJVBNSDCP-IONNQARKSA-N 1 0 215.728 2.471 10 0 BEAERO C[NH+]1CCC(n2ccc3cc(N)ccc32)CC1 ZINC000118488668 343046610 /nfs/dbraw/zinc/04/66/10/343046610.db2.gz YTPNSDHHVNXWKT-UHFFFAOYSA-N 1 0 229.327 2.490 10 0 BEAERO Cc1ccc(C[NH3+])c(OCc2ccccc2)n1 ZINC000043396106 343062712 /nfs/dbraw/zinc/06/27/12/343062712.db2.gz MHIGPPAESXKCQE-UHFFFAOYSA-N 1 0 228.295 2.428 10 0 BEAERO [NH3+][C@H](CO)c1cccc(C(F)(F)F)c1Cl ZINC000072198896 343068900 /nfs/dbraw/zinc/06/89/00/343068900.db2.gz JOXZGGCLGYXDON-SSDOTTSWSA-N 1 0 239.624 2.351 10 0 BEAERO Cc1c(C)c(C)c([C@H]([NH3+])CO)c(C)c1C ZINC000072198046 343069248 /nfs/dbraw/zinc/06/92/48/343069248.db2.gz NIDOJZPGODHVAW-GFCCVEGCSA-N 1 0 207.317 2.221 10 0 BEAERO Cc1nccc(CNCc2ccccc2F)n1 ZINC000037997713 187229901 /nfs/dbraw/zinc/22/99/01/187229901.db2.gz VLYISDAPBNHSBG-UHFFFAOYSA-N 1 0 231.274 2.214 10 0 BEAERO CC[C@@H]1CSC(NC[C@@H]2CCSC2)=[NH+]1 ZINC000228589085 362006249 /nfs/dbraw/zinc/00/62/49/362006249.db2.gz NBSQGOYCBSLPHG-DTWKUNHWSA-N 1 0 230.402 2.211 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1Oc1nc(Cl)cs1 ZINC000165387553 343072772 /nfs/dbraw/zinc/07/27/72/343072772.db2.gz KUMABVQHSIZMBU-RNFRBKRXSA-N 1 0 232.736 2.303 10 0 BEAERO Cc1ccc(C)c(OC[C@H]2CC[C@H](C[NH3+])O2)c1 ZINC000052665619 178490426 /nfs/dbraw/zinc/49/04/26/178490426.db2.gz BMPLRQFKUAINEC-CHWSQXEVSA-N 1 0 235.327 2.189 10 0 BEAERO CC[C@@H](NC(=O)C(C)(C)C(N)=[NH2+])c1ccccc1 ZINC000584880897 343081541 /nfs/dbraw/zinc/08/15/41/343081541.db2.gz QSZGTBCAHYUNPH-LLVKDONJSA-N 1 0 247.342 2.216 10 0 BEAERO CNc1c(N)c[nH+]c2ccc(C)c(Cl)c21 ZINC000584881806 343082781 /nfs/dbraw/zinc/08/27/81/343082781.db2.gz BRGSQRRGWCZMHK-UHFFFAOYSA-N 1 0 221.691 2.242 10 0 BEAERO Cc1c(Cl)ccc2c(N)c(N)c[nH+]c12 ZINC000584881840 343083366 /nfs/dbraw/zinc/08/33/66/343083366.db2.gz DKYZJQSTCXDTFC-UHFFFAOYSA-N 1 0 207.664 2.361 10 0 BEAERO Cc1ccc(Cl)c2[nH+]cc(N)c(N)c12 ZINC000584882439 343084653 /nfs/dbraw/zinc/08/46/53/343084653.db2.gz HLQWNQBPBIJBMI-UHFFFAOYSA-N 1 0 207.664 2.191 10 0 BEAERO Nc1c[nH+]c2ccc(OC(F)(F)F)cc2c1N ZINC000584882272 343084700 /nfs/dbraw/zinc/08/47/00/343084700.db2.gz YJWNPKZBVLXIGM-UHFFFAOYSA-N 1 0 243.188 2.128 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+][C@@H](C(C)(C)C)C1 ZINC000584882961 343085603 /nfs/dbraw/zinc/08/56/03/343085603.db2.gz CBGRHXKJNFCPLV-NXEZZACHSA-N 1 0 242.363 2.288 10 0 BEAERO Cc1cccc(-c2cc3c([nH+]c2N)NCCC3)c1 ZINC000584883326 343086191 /nfs/dbraw/zinc/08/61/91/343086191.db2.gz PUZPJYVOIYJTDA-UHFFFAOYSA-N 1 0 239.322 2.344 10 0 BEAERO CO[C@H]1Cc2ccccc2C2(CC[NH+](C)CC2)O1 ZINC000013472037 343089370 /nfs/dbraw/zinc/08/93/70/343089370.db2.gz BMBFJAYAIYTGJO-CQSZACIVSA-N 1 0 247.338 2.153 10 0 BEAERO NC[C@@H]([NH3+])CC1=Cc2c(Cl)cccc2CC1 ZINC000141263147 343090718 /nfs/dbraw/zinc/09/07/18/343090718.db2.gz FVZGZMMVAJIXCC-NSHDSACASA-N 1 0 236.746 2.346 10 0 BEAERO CC(C)(C)c1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000071534907 362007570 /nfs/dbraw/zinc/00/75/70/362007570.db2.gz TVXINOQPAUENGI-UHFFFAOYSA-N 1 0 230.315 2.228 10 0 BEAERO [NH3+][C@@H]1CCOc2c(OC(F)(F)F)cccc21 ZINC000095639005 343075452 /nfs/dbraw/zinc/07/54/52/343075452.db2.gz DDCZLPCCTJEGSL-SSDOTTSWSA-N 1 0 233.189 2.368 10 0 BEAERO COc1ccc(C(C)C)cc1[C@H]([NH3+])CCO ZINC000071525219 362008092 /nfs/dbraw/zinc/00/80/92/362008092.db2.gz DUFGLNUXQJIGPG-GFCCVEGCSA-N 1 0 223.316 2.201 10 0 BEAERO [NH3+][C@H]1CCOc2c(OC(F)(F)F)cccc21 ZINC000095638869 343075628 /nfs/dbraw/zinc/07/56/28/343075628.db2.gz DDCZLPCCTJEGSL-ZETCQYMHSA-N 1 0 233.189 2.368 10 0 BEAERO Nc1ccc(S[C@H]2CCC[NH2+]C2)cc1 ZINC000043501752 343099505 /nfs/dbraw/zinc/09/95/05/343099505.db2.gz AXEWJSIILFITMK-NSHDSACASA-N 1 0 208.330 2.113 10 0 BEAERO Nc1ccc(OCCC[NH+]2CCCC2)c(F)c1 ZINC000049331661 343103570 /nfs/dbraw/zinc/10/35/70/343103570.db2.gz GVAIVIHNQVMGPC-UHFFFAOYSA-N 1 0 238.306 2.273 10 0 BEAERO CCC[NH2+][C@H]1CCc2cccc(OC)c2[C@H]1CO ZINC000013826072 343105209 /nfs/dbraw/zinc/10/52/09/343105209.db2.gz JHZWCHHCPPHTLZ-STQMWFEESA-N 1 0 249.354 2.086 10 0 BEAERO CC(C)[NH2+]CCC(=O)c1ccc(F)cc1 ZINC000049814522 343121763 /nfs/dbraw/zinc/12/17/63/343121763.db2.gz ONKPXOJYKNETAJ-UHFFFAOYSA-N 1 0 209.264 2.397 10 0 BEAERO C[C@@H](C(N)=S)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000043514421 343116527 /nfs/dbraw/zinc/11/65/27/343116527.db2.gz SNEBMEIBHVUGFG-KXUCPTDWSA-N 1 0 214.378 2.172 10 0 BEAERO [NH3+]C[C@@H]1CCCN1Cc1ccnc2ccccc12 ZINC000092348389 343147841 /nfs/dbraw/zinc/14/78/41/343147841.db2.gz CGDKQAZMCLKHLE-ZDUSSCGKSA-N 1 0 241.338 2.158 10 0 BEAERO Cc1cc(N(C)Cc2ccccc2)nc(N)[nH+]1 ZINC000043531905 343130800 /nfs/dbraw/zinc/13/08/00/343130800.db2.gz MAJRFKKTARZMPY-UHFFFAOYSA-N 1 0 228.299 2.004 10 0 BEAERO CC[C@@H]1CS[C@]2(CCC[C@@H](OC)C2)[NH2+]1 ZINC000233940550 343144710 /nfs/dbraw/zinc/14/47/10/343144710.db2.gz DHDDVMXMDHKRRQ-MXWKQRLJSA-N 1 0 215.362 2.387 10 0 BEAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCc3ccccc32)C1 ZINC000097092555 343155028 /nfs/dbraw/zinc/15/50/28/343155028.db2.gz VQMFXWSVZHBINV-QWHCGFSZSA-N 1 0 244.338 2.093 10 0 BEAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCc3ccccc32)C1 ZINC000097092552 343155088 /nfs/dbraw/zinc/15/50/88/343155088.db2.gz VQMFXWSVZHBINV-OLZOCXBDSA-N 1 0 244.338 2.093 10 0 BEAERO CC(=O)O[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000004626654 187242426 /nfs/dbraw/zinc/24/24/26/187242426.db2.gz BKPLVPRTTWIDNL-KBPBESRZSA-N 1 0 233.311 2.433 10 0 in-man BEAERO CC1(C)CCCC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000126530632 343170170 /nfs/dbraw/zinc/17/01/70/343170170.db2.gz DTKAHPVQMSBYRX-LBPRGKRZSA-N 1 0 236.363 2.227 10 0 BEAERO C[C@@H](Nc1cc(N)cc[nH+]1)c1ccccn1 ZINC000043568906 343174065 /nfs/dbraw/zinc/17/40/65/343174065.db2.gz ZBVNPHQVCHIBJV-SECBINFHSA-N 1 0 214.272 2.232 10 0 BEAERO C[C@H](Nc1cc(N)cc[nH+]1)c1ccccn1 ZINC000043568905 343174135 /nfs/dbraw/zinc/17/41/35/343174135.db2.gz ZBVNPHQVCHIBJV-VIFPVBQESA-N 1 0 214.272 2.232 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1nc2ccccc2o1 ZINC000165730920 343212098 /nfs/dbraw/zinc/21/20/98/343212098.db2.gz NUMRTJXESLFDQC-DTWKUNHWSA-N 1 0 219.288 2.366 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219845746 343215817 /nfs/dbraw/zinc/21/58/17/343215817.db2.gz SUXGTKNWRBQZJK-DYEKYZERSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1ccc(C)c([C@](C)(O)C[NH2+]C2CC2)c1 ZINC000032013487 178503766 /nfs/dbraw/zinc/50/37/66/178503766.db2.gz GQVCCANZCMGHPT-CQSZACIVSA-N 1 0 219.328 2.263 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]1c1nc(C(C)C)no1 ZINC000071000880 343224749 /nfs/dbraw/zinc/22/47/49/343224749.db2.gz KCDGCTAOJANRDK-RKDXNWHRSA-N 1 0 209.293 2.049 10 0 BEAERO CCC[C@H]([NH3+])c1cnc2c(C)cccn12 ZINC000031911678 343225947 /nfs/dbraw/zinc/22/59/47/343225947.db2.gz ZQSSIPQIUVJZCK-JTQLQIEISA-N 1 0 203.289 2.443 10 0 BEAERO [NH3+]C[C@@H]1CCCN1C(=O)C1CCCCCCC1 ZINC000086582417 136280961 /nfs/dbraw/zinc/28/09/61/136280961.db2.gz BPTYQNJEPMOYFS-ZDUSSCGKSA-N 1 0 238.375 2.297 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@H](O)c1ccccc1OC ZINC000032014516 343228510 /nfs/dbraw/zinc/22/85/10/343228510.db2.gz YYAVNFDQCFRVPU-PWSUYJOCSA-N 1 0 223.316 2.117 10 0 BEAERO CC(C)(C)c1ccc(C[C@H](C[NH3+])CO)cc1 ZINC000011978568 187250878 /nfs/dbraw/zinc/25/08/78/187250878.db2.gz BXGSSAICRGUICN-GFCCVEGCSA-N 1 0 221.344 2.094 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CCCCS2)cnn1C ZINC000087684289 136282236 /nfs/dbraw/zinc/28/22/36/136282236.db2.gz XZQILWUKUAPFTP-LBPRGKRZSA-N 1 0 239.388 2.104 10 0 BEAERO [NH3+]Cc1ccccc1Sc1ncccn1 ZINC000035719941 187249661 /nfs/dbraw/zinc/24/96/61/187249661.db2.gz APDGPVTZQOEOOA-UHFFFAOYSA-N 1 0 217.297 2.087 10 0 BEAERO [NH3+]Cc1ccc(Sc2nncs2)c(F)c1 ZINC000036887080 187249859 /nfs/dbraw/zinc/24/98/59/187249859.db2.gz JKSQHVQDHFRRNM-UHFFFAOYSA-N 1 0 241.316 2.287 10 0 BEAERO [NH3+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000033426906 343253792 /nfs/dbraw/zinc/25/37/92/343253792.db2.gz NBOULRXVDQMSTM-ZETCQYMHSA-N 1 0 214.671 2.017 10 0 BEAERO COc1ccc2c3c1CCC[C@@H]3C[NH2+]C2 ZINC000238356947 343255535 /nfs/dbraw/zinc/25/55/35/343255535.db2.gz HYIDHUKVFCKYSJ-SECBINFHSA-N 1 0 203.285 2.218 10 0 BEAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(N)=O)cc1 ZINC000035138479 343286420 /nfs/dbraw/zinc/28/64/20/343286420.db2.gz SMQLVNPHQHVTMH-MNOVXSKESA-N 1 0 234.343 2.334 10 0 BEAERO COc1ccc2c3c1CCC[C@H]3C[NH2+]C2 ZINC000238356930 343255728 /nfs/dbraw/zinc/25/57/28/343255728.db2.gz HYIDHUKVFCKYSJ-VIFPVBQESA-N 1 0 203.285 2.218 10 0 BEAERO C[N@H+]1CC=C(Cc2ccc(O)cc2)CC1 ZINC000238360614 343255827 /nfs/dbraw/zinc/25/58/27/343255827.db2.gz RAHTYEFRBBUIAT-UHFFFAOYSA-N 1 0 203.285 2.197 10 0 BEAERO CO[C@@]1(c2cccc3[nH]ccc32)CCC[NH2+]C1 ZINC000033885385 343262414 /nfs/dbraw/zinc/26/24/14/343262414.db2.gz HWVLANZOAMRQDN-AWEZNQCLSA-N 1 0 230.311 2.393 10 0 BEAERO Cc1ccc(OCC[C@@](C)(C[NH3+])N(C)C)cc1 ZINC000019667660 187252765 /nfs/dbraw/zinc/25/27/65/187252765.db2.gz WJEKHBCQOXBHCZ-AWEZNQCLSA-N 1 0 236.359 2.043 10 0 BEAERO CC1CCC(Oc2ncccc2C(N)=[NH2+])CC1 ZINC000019475248 187252809 /nfs/dbraw/zinc/25/28/09/187252809.db2.gz HBORQTKJDZPGPX-UHFFFAOYSA-N 1 0 233.315 2.323 10 0 BEAERO CC(C)([NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000019684307 187252928 /nfs/dbraw/zinc/25/29/28/187252928.db2.gz PYQYNZYWOPUGGQ-SECBINFHSA-N 1 0 244.132 2.220 10 0 BEAERO CCOC(=O)CCC[NH2+]CCc1ccccc1 ZINC000034457855 343271582 /nfs/dbraw/zinc/27/15/82/343271582.db2.gz MHUXVXRCZCVZHT-UHFFFAOYSA-N 1 0 235.327 2.162 10 0 BEAERO C[NH+]1CCN(c2cc(C(C)(C)C)ccc2N)CC1 ZINC000146082232 343278972 /nfs/dbraw/zinc/27/89/72/343278972.db2.gz RSEHASAFVQVLGB-UHFFFAOYSA-N 1 0 247.386 2.318 10 0 BEAERO CC(C)C[C@H](C[NH3+])N1CCc2ccccc2C1 ZINC000022166758 187254878 /nfs/dbraw/zinc/25/48/78/187254878.db2.gz UHXHWZNDRWCFMS-OAHLLOKOSA-N 1 0 232.371 2.418 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969641 187253374 /nfs/dbraw/zinc/25/33/74/187253374.db2.gz CKEAGQOERLBUEL-LLVKDONJSA-N 1 0 218.300 2.227 10 0 BEAERO C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1C ZINC000020439440 187253708 /nfs/dbraw/zinc/25/37/08/187253708.db2.gz VCAJVHNKEBLJMR-UHFFFAOYSA-N 1 0 219.263 2.039 10 0 BEAERO C[N@H+](CC1CC1)[C@H]1CCCCCC[C@@H]1N ZINC000037925467 187253847 /nfs/dbraw/zinc/25/38/47/187253847.db2.gz BLBRCVVIXPNEMW-STQMWFEESA-N 1 0 210.365 2.378 10 0 BEAERO Cc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])nc1 ZINC000038050611 343367748 /nfs/dbraw/zinc/36/77/48/343367748.db2.gz RLBJCCJNCPIJFA-QWRGUYRKSA-N 1 0 205.305 2.072 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000038050679 343368112 /nfs/dbraw/zinc/36/81/12/343368112.db2.gz QOFLSJOPNUNVRI-UWVGGRQHSA-N 1 0 230.315 2.245 10 0 BEAERO [NH3+][C@@H](CO)c1cccc(Oc2ccccc2)c1 ZINC000038124688 343371895 /nfs/dbraw/zinc/37/18/95/343371895.db2.gz VHTXXANHTMMDDV-AWEZNQCLSA-N 1 0 229.279 2.471 10 0 BEAERO [NH3+]Cc1ncccc1OCc1ccccc1 ZINC000038846142 343379850 /nfs/dbraw/zinc/37/98/50/343379850.db2.gz QBVBHQWWNOQBSP-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1[NH3+])O[C@H](C)C2 ZINC000037381380 343344278 /nfs/dbraw/zinc/34/42/78/343344278.db2.gz WSQZNUSPGAJJGI-QRTLGDNMSA-N 1 0 233.311 2.223 10 0 BEAERO COC(C[NH2+][C@@H](C)CCc1ccccc1)OC ZINC000037566458 343348407 /nfs/dbraw/zinc/34/84/07/343348407.db2.gz RGSCCMZEPKDAME-LBPRGKRZSA-N 1 0 237.343 2.216 10 0 BEAERO OC1(CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)CC1 ZINC000335678491 136319459 /nfs/dbraw/zinc/31/94/59/136319459.db2.gz IRBQWMUDCOGUHN-NEPJUHHUSA-N 1 0 241.400 2.261 10 0 BEAERO COc1ccc([C@H](CN)[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000036783318 187259396 /nfs/dbraw/zinc/25/93/96/187259396.db2.gz IFASYWPCLWQGMT-ABAIWWIYSA-N 1 0 248.370 2.425 10 0 BEAERO CC(C)Cc1ccc([C@H](O)[C@@H](C)[NH3+])cc1 ZINC000071510680 187260131 /nfs/dbraw/zinc/26/01/31/187260131.db2.gz HZEJXYSZCXVFGJ-ZWNOBZJWSA-N 1 0 207.317 2.266 10 0 BEAERO Cc1c2sccc2nc2c1C[NH2+]CC2 ZINC000039105320 343384937 /nfs/dbraw/zinc/38/49/37/343384937.db2.gz SSRUZQZXCRSSBK-UHFFFAOYSA-N 1 0 204.298 2.250 10 0 BEAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000040941964 343411908 /nfs/dbraw/zinc/41/19/08/343411908.db2.gz BNJICPSSJZQIOE-MWLCHTKSSA-N 1 0 211.692 2.376 10 0 BEAERO [NH3+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000040941963 343412029 /nfs/dbraw/zinc/41/20/29/343412029.db2.gz BNJICPSSJZQIOE-KOLCDFICSA-N 1 0 211.692 2.376 10 0 BEAERO CCC1(C(=O)N[C@H]2CCC[C@@H]2C)CC[NH2+]CC1 ZINC000071209034 168440786 /nfs/dbraw/zinc/44/07/86/168440786.db2.gz MEGWCTVMJGDECP-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO CC[C@@H]([NH2+]Cc1cnc(C)nc1)C(C)C ZINC000308904962 346936925 /nfs/dbraw/zinc/93/69/25/346936925.db2.gz CGBNRHSOIYEKHJ-GFCCVEGCSA-N 1 0 207.321 2.309 10 0 BEAERO C[C@]12CC[N@H+](CC3(O)CCCC3)C[C@H]1C2(F)F ZINC000335731829 136349031 /nfs/dbraw/zinc/34/90/31/136349031.db2.gz FOGYLHCRMZVLIN-MNOVXSKESA-N 1 0 245.313 2.269 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)C1CC1 ZINC000377995830 136333332 /nfs/dbraw/zinc/33/33/32/136333332.db2.gz HDQIZQROLAKRCV-PWSUYJOCSA-N 1 0 219.332 2.149 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)C1CC1 ZINC000377995799 136333793 /nfs/dbraw/zinc/33/37/93/136333793.db2.gz HDQIZQROLAKRCV-CMPLNLGQSA-N 1 0 219.332 2.149 10 0 BEAERO Fc1cccc2c1[C@H]([NH2+][C@H]1CCSC1)CO2 ZINC000374685643 136357139 /nfs/dbraw/zinc/35/71/39/136357139.db2.gz ZFGPJFQIAVANGF-WCBMZHEXSA-N 1 0 239.315 2.354 10 0 BEAERO C[C@@H](CCCC(F)(F)F)[NH2+]C1COC1 ZINC000166686372 136362782 /nfs/dbraw/zinc/36/27/82/136362782.db2.gz YTKUHAZKTHOITA-ZETCQYMHSA-N 1 0 211.227 2.096 10 0 BEAERO [NH3+]CCN1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000616621939 343524876 /nfs/dbraw/zinc/52/48/76/343524876.db2.gz VQJZYDQGBSAUIV-LBPRGKRZSA-N 1 0 238.762 2.478 10 0 BEAERO C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616627794 343525589 /nfs/dbraw/zinc/52/55/89/343525589.db2.gz NYBVISVMJIAWPL-NSHDSACASA-N 1 0 242.363 2.243 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2cccc(N)c2)CC1 ZINC000616687467 343537015 /nfs/dbraw/zinc/53/70/15/343537015.db2.gz ZOYKUZXWZPIDDP-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC[C@@H](CSC)[NH2+]C[C@H](O)C(C)(C)C ZINC000379528147 343571911 /nfs/dbraw/zinc/57/19/11/343571911.db2.gz TYOGNHAEDKCLKC-UWVGGRQHSA-N 1 0 219.394 2.125 10 0 BEAERO Cc1ccccc1[C@@H](N)C[N@H+]1CC[C@H](C)C1 ZINC000040718015 187264250 /nfs/dbraw/zinc/26/42/50/187264250.db2.gz FIZAPPKMVZSDGS-FZMZJTMJSA-N 1 0 218.344 2.337 10 0 BEAERO COC[C@@]1(C2CC2)[NH2+]CCc2ccsc21 ZINC000712514802 537787022 /nfs/dbraw/zinc/78/70/22/537787022.db2.gz HCWICHDLUHCMNV-LBPRGKRZSA-N 1 0 223.341 2.146 10 0 BEAERO C[C@]1([C@@H]2CCOC2)[NH2+]CCc2ccsc21 ZINC000712513793 537787645 /nfs/dbraw/zinc/78/76/45/537787645.db2.gz YBBPJGGFQBVFSE-ZYHUDNBSSA-N 1 0 223.341 2.146 10 0 BEAERO Cc1nccc([C@@H]2[NH2+]CCc3ccsc32)n1 ZINC000712501033 537787966 /nfs/dbraw/zinc/78/79/66/537787966.db2.gz DFMYXHPFTHFZAK-NSHDSACASA-N 1 0 231.324 2.082 10 0 BEAERO Cc1nccnc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712521675 537788722 /nfs/dbraw/zinc/78/87/22/537788722.db2.gz BXYFTBZOFOFLQW-NSHDSACASA-N 1 0 231.324 2.082 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N(CCO)C1CCCC1 ZINC000042509905 187265411 /nfs/dbraw/zinc/26/54/11/187265411.db2.gz QIBYUEUQISGZIH-GFCCVEGCSA-N 1 0 248.370 2.448 10 0 BEAERO COC[C@]1(C(C)C)[NH2+]CCc2ccsc21 ZINC000712512362 537786567 /nfs/dbraw/zinc/78/65/67/537786567.db2.gz HEYHVLMGXWSEKJ-GFCCVEGCSA-N 1 0 225.357 2.392 10 0 BEAERO CCCC1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624236256 343580587 /nfs/dbraw/zinc/58/05/87/343580587.db2.gz ZSRVOAMFRXYAQI-PQAZSJQKSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1n[nH]c(C)c1[C@H]1[NH2+]CCc2ccsc21 ZINC000712501282 537786711 /nfs/dbraw/zinc/78/67/11/537786711.db2.gz XYDRPRPJZLNCCE-LLVKDONJSA-N 1 0 233.340 2.323 10 0 BEAERO C[C@H]1CCC[C@@H](OC(=O)C2([NH3+])CCCC2)C1 ZINC000040953545 187264434 /nfs/dbraw/zinc/26/44/34/187264434.db2.gz ZMPHZNDTQSDKGI-WDEREUQCSA-N 1 0 225.332 2.380 10 0 BEAERO CN1CCC[C@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712541937 537791555 /nfs/dbraw/zinc/79/15/55/537791555.db2.gz HIHWLQSBOUQDPS-CYBMUJFWSA-N 1 0 236.384 2.205 10 0 BEAERO COC[C@H](C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712553171 537792067 /nfs/dbraw/zinc/79/20/67/537792067.db2.gz CGAALFKKXZJNHU-WPRPVWTQSA-N 1 0 211.330 2.217 10 0 BEAERO C[C@@H]1C[C@@]2(CCO1)[NH2+]CCc1ccsc12 ZINC000712542001 537792107 /nfs/dbraw/zinc/79/21/07/537792107.db2.gz IJNGSVLVEUKAJW-BXKDBHETSA-N 1 0 223.341 2.288 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000052395696 343600129 /nfs/dbraw/zinc/60/01/29/343600129.db2.gz XGXYFCNXAMBRIP-GFCCVEGCSA-N 1 0 234.343 2.032 10 0 BEAERO C[C@H](CC[NH+](C)C)Nc1ncnc2ccccc21 ZINC000049558652 343602285 /nfs/dbraw/zinc/60/22/85/343602285.db2.gz QDJTWQXKFQTNQE-LLVKDONJSA-N 1 0 244.342 2.382 10 0 BEAERO C[C@@H](CC[NH+](C)C)Nc1ncnc2ccccc21 ZINC000049558651 343602745 /nfs/dbraw/zinc/60/27/45/343602745.db2.gz QDJTWQXKFQTNQE-NSHDSACASA-N 1 0 244.342 2.382 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000309486827 343603884 /nfs/dbraw/zinc/60/38/84/343603884.db2.gz VRERNZUKHKXKNA-QWHCGFSZSA-N 1 0 222.376 2.393 10 0 BEAERO CCCN1CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712553198 537792859 /nfs/dbraw/zinc/79/28/59/537792859.db2.gz FYJWRSYCYZCGCU-ZDUSSCGKSA-N 1 0 236.384 2.205 10 0 BEAERO Cc1c([C@@H]2[NH2+]CCc3ccsc32)cnn1C ZINC000712545280 537793960 /nfs/dbraw/zinc/79/39/60/537793960.db2.gz KYGGUFYPBFYIKZ-NSHDSACASA-N 1 0 233.340 2.025 10 0 BEAERO FC1(F)CC[C@@H]([C@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000712970868 537796322 /nfs/dbraw/zinc/79/63/22/537796322.db2.gz MGIJDAIWYZWYQU-VXNVDRBHSA-N 1 0 227.258 2.032 10 0 BEAERO CC[C@H](C[NH3+])C(=O)N[C@@H](CC)c1ccccc1 ZINC000051627452 343627220 /nfs/dbraw/zinc/62/72/20/343627220.db2.gz QVMUURRMEHGKDK-YPMHNXCESA-N 1 0 234.343 2.239 10 0 BEAERO COC(=O)C[C@](C)([NH3+])c1cccc(Cl)c1 ZINC000086851530 343631044 /nfs/dbraw/zinc/63/10/44/343631044.db2.gz HCLPAOARYVKXGO-NSHDSACASA-N 1 0 227.691 2.077 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1CO)C1CCCCCC1 ZINC000309071619 349826677 /nfs/dbraw/zinc/82/66/77/349826677.db2.gz DUSUGTZVIMGXOA-WCFLWFBJSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)(C)c1nccc(C2CC[NH2+]CC2)n1 ZINC000043673959 187268517 /nfs/dbraw/zinc/26/85/17/187268517.db2.gz SESHYYOZOYKPFA-UHFFFAOYSA-N 1 0 219.332 2.241 10 0 BEAERO CSC1(C[NH2+][C@@H]2CCC[C@@H](O)C2)CCC1 ZINC000379956255 343659468 /nfs/dbraw/zinc/65/94/68/343659468.db2.gz GDZPNDLEPSRMDT-GHMZBOCLSA-N 1 0 229.389 2.165 10 0 BEAERO CC[C@H]1CN(C/C=C/Cl)C(C)(C)C[NH2+]1 ZINC000234205136 343662233 /nfs/dbraw/zinc/66/22/33/343662233.db2.gz BOLJDSMHAVPJSM-PORFMDCZSA-N 1 0 216.756 2.201 10 0 BEAERO CC(C)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023400 343693706 /nfs/dbraw/zinc/69/37/06/343693706.db2.gz NMOYPMNQAPYZNO-OLZOCXBDSA-N 1 0 211.349 2.269 10 0 BEAERO CC(C)[C@H](C[NH+](C)C)Nc1cccc(F)c1N ZINC000049194852 187269846 /nfs/dbraw/zinc/26/98/46/187269846.db2.gz PQZVQBWMXKYDTG-LBPRGKRZSA-N 1 0 239.338 2.406 10 0 BEAERO CCc1nccn1-c1cc(C)ccc1C[NH3+] ZINC000051580266 187271042 /nfs/dbraw/zinc/27/10/42/187271042.db2.gz ICFPHEVHWDNVEC-UHFFFAOYSA-N 1 0 215.300 2.202 10 0 BEAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc(O)cc1 ZINC000049195015 187270495 /nfs/dbraw/zinc/27/04/95/187270495.db2.gz RXNAYXBRIUWINP-AWEZNQCLSA-N 1 0 236.359 2.068 10 0 BEAERO CC(C)(C)c1ccc([C@@H](C[NH3+])CO)cc1 ZINC000071510609 343687353 /nfs/dbraw/zinc/68/73/53/343687353.db2.gz LSCYMINYWHRLIE-NSHDSACASA-N 1 0 207.317 2.019 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](N(C)Cc2ccccc2)C1 ZINC000401832734 343735314 /nfs/dbraw/zinc/73/53/14/343735314.db2.gz JLZZTIWHHRYUPG-GXTWGEPZSA-N 1 0 218.344 2.116 10 0 BEAERO C/C=C/COC[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052594952 187271439 /nfs/dbraw/zinc/27/14/39/187271439.db2.gz RUBQYRHQYCKQSP-OOPLNXAUSA-N 1 0 241.375 2.372 10 0 BEAERO CC[N@H+](C)CCNc1ccc(N)c2cccnc12 ZINC000054111853 187272481 /nfs/dbraw/zinc/27/24/81/187272481.db2.gz PSAOPRDQUDZMOJ-UHFFFAOYSA-N 1 0 244.342 2.181 10 0 BEAERO CC[C@](C)(O)C[NH2+]Cc1ccnc2ccccc12 ZINC000096478645 343746873 /nfs/dbraw/zinc/74/68/73/343746873.db2.gz AHYCWPHEXXKZQR-HNNXBMFYSA-N 1 0 244.338 2.485 10 0 BEAERO CO[C@@H]1C[NH2+]CC[C@@H]1Cc1cccc(C)c1 ZINC000221690587 346963650 /nfs/dbraw/zinc/96/36/50/346963650.db2.gz MFEKTZMQWDABAG-ZIAGYGMSSA-N 1 0 219.328 2.162 10 0 BEAERO CO[C@H]1C[NH2+]CC[C@@H]1Cc1cccc(C)c1 ZINC000221690501 346963840 /nfs/dbraw/zinc/96/38/40/346963840.db2.gz MFEKTZMQWDABAG-KGLIPLIRSA-N 1 0 219.328 2.162 10 0 BEAERO CC(C)N(CC[NH3+])c1nc2ccccc2s1 ZINC000053706317 187272429 /nfs/dbraw/zinc/27/24/29/187272429.db2.gz YQVHTZCFODJUGI-UHFFFAOYSA-N 1 0 235.356 2.470 10 0 BEAERO Cc1nc(NCCc2ccccc2)cc(N)[nH+]1 ZINC000128492462 343787468 /nfs/dbraw/zinc/78/74/68/343787468.db2.gz KXYPNBGYBUDFSQ-UHFFFAOYSA-N 1 0 228.299 2.022 10 0 BEAERO Cc1nc(NCc2ccccc2F)cc(N)[nH+]1 ZINC000128593849 343787596 /nfs/dbraw/zinc/78/75/96/343787596.db2.gz ZSDZYBVYNOTMQU-UHFFFAOYSA-N 1 0 232.262 2.118 10 0 BEAERO Cc1ccc(CNc2cc(N)[nH+]c(C)n2)cc1 ZINC000128637932 343787708 /nfs/dbraw/zinc/78/77/08/343787708.db2.gz UJQXDPMUJPHWGJ-UHFFFAOYSA-N 1 0 228.299 2.288 10 0 BEAERO CCn1c2ccc(F)cc2nc1[C@@H]1CC[NH2+]C1 ZINC000062119383 187273300 /nfs/dbraw/zinc/27/33/00/187273300.db2.gz YHTCMXYRTNUTCQ-SECBINFHSA-N 1 0 233.290 2.272 10 0 BEAERO CC(C)=CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000063189168 187273649 /nfs/dbraw/zinc/27/36/49/187273649.db2.gz AAHQNHBZKFGUHF-OLZOCXBDSA-N 1 0 236.359 2.086 10 0 BEAERO CN(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2CF)cc1 ZINC000409421970 343812105 /nfs/dbraw/zinc/81/21/05/343812105.db2.gz ARFMLVDSIVEQAW-AAEUAGOBSA-N 1 0 222.307 2.025 10 0 BEAERO FC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Br)o1 ZINC000409422448 343813961 /nfs/dbraw/zinc/81/39/61/343813961.db2.gz FYUWREHJIJGBCQ-RQJHMYQMSA-N 1 0 248.095 2.315 10 0 BEAERO C[C@H]1C[C@H](c2ccc3c(c2)CCN3C)C[NH2+]1 ZINC000070586699 187274939 /nfs/dbraw/zinc/27/49/39/187274939.db2.gz ANIRPVXXTYXSKE-GWCFXTLKSA-N 1 0 216.328 2.144 10 0 BEAERO CC(C)C1CCC(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000409424305 343817359 /nfs/dbraw/zinc/81/73/59/343817359.db2.gz UIWAOGKLVAQCPQ-WXRRBKDZSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)[N@H+](Cc1cccc(N)c1)[C@@H]1CCOC1 ZINC000070533300 187275124 /nfs/dbraw/zinc/27/51/24/187275124.db2.gz SJSADVFSHQNXOO-CQSZACIVSA-N 1 0 234.343 2.268 10 0 BEAERO CC[NH2+][C@H](C)CNc1ncc(Cl)cc1F ZINC000387639766 346982762 /nfs/dbraw/zinc/98/27/62/346982762.db2.gz HWHYUKWNUSOBRB-SSDOTTSWSA-N 1 0 231.702 2.284 10 0 BEAERO COC(=O)[C@]12CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409431648 343823865 /nfs/dbraw/zinc/82/38/65/343823865.db2.gz RRJBIWLHSMLLKD-ZFWWWQNUSA-N 1 0 245.322 2.072 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1OCc1ccccc1 ZINC000409430109 343807485 /nfs/dbraw/zinc/80/74/85/343807485.db2.gz FDTULMBDJZHEDR-GFCCVEGCSA-N 1 0 205.301 2.201 10 0 BEAERO C[NH2+]Cc1c(-c2cccnc2)n[nH]c1C1CC1 ZINC000409439982 343854055 /nfs/dbraw/zinc/85/40/55/343854055.db2.gz LGBKWZZRKJWWOO-UHFFFAOYSA-N 1 0 228.299 2.069 10 0 BEAERO Cc1nc(C[NH3+])cc(CC2CCCCC2)n1 ZINC000409439976 343854081 /nfs/dbraw/zinc/85/40/81/343854081.db2.gz USLFZADLNGEPHG-UHFFFAOYSA-N 1 0 219.332 2.367 10 0 BEAERO [NH3+]CCc1c(-c2ccco2)n[nH]c1C1CC1 ZINC000409441016 343854998 /nfs/dbraw/zinc/85/49/98/343854998.db2.gz PEJZORTUEDJPKB-UHFFFAOYSA-N 1 0 217.272 2.048 10 0 BEAERO Cc1[nH]nc(-c2ccsc2)c1CCC(N)=[NH2+] ZINC000409441095 343855170 /nfs/dbraw/zinc/85/51/70/343855170.db2.gz QHIGDWGYQCJEKK-UHFFFAOYSA-N 1 0 234.328 2.315 10 0 BEAERO [NH3+]Cc1c(C2CC2)[nH]nc1C1CCCC1 ZINC000409441292 343855933 /nfs/dbraw/zinc/85/59/33/343855933.db2.gz QRQFMISJYUNZFT-UHFFFAOYSA-N 1 0 205.305 2.403 10 0 BEAERO c1cc(-c2cnn(C[C@H]3CCC[NH2+]C3)c2)co1 ZINC000409440840 343856063 /nfs/dbraw/zinc/85/60/63/343856063.db2.gz VCOKWWWKUUMZCQ-NSHDSACASA-N 1 0 231.299 2.143 10 0 BEAERO [NH3+]CCn1nc(-c2ccsc2)c2c1CCC2 ZINC000409437270 343842854 /nfs/dbraw/zinc/84/28/54/343842854.db2.gz FKYLWEJZUNHOAT-UHFFFAOYSA-N 1 0 233.340 2.059 10 0 BEAERO [NH3+]CCn1ccn2nc(C3CCCCC3)cc12 ZINC000409438404 343843670 /nfs/dbraw/zinc/84/36/70/343843670.db2.gz MPPUEDNXBADRSX-UHFFFAOYSA-N 1 0 232.331 2.142 10 0 BEAERO Cc1nc(C[NH3+])cc(Cc2ccc(Cl)cc2)n1 ZINC000409438739 343845398 /nfs/dbraw/zinc/84/53/98/343845398.db2.gz ODCSMDCPNVDPNT-UHFFFAOYSA-N 1 0 247.729 2.488 10 0 BEAERO CC(C)c1cc(-c2ccccn2)nn1CC[NH3+] ZINC000409438796 343845525 /nfs/dbraw/zinc/84/55/25/343845525.db2.gz FZLQFSQTGZNCPI-UHFFFAOYSA-N 1 0 230.315 2.027 10 0 BEAERO Cc1nc(C[NH3+])cc(CCc2ccccc2)n1 ZINC000409439142 343846615 /nfs/dbraw/zinc/84/66/15/343846615.db2.gz PWRQDVVASKWBQT-UHFFFAOYSA-N 1 0 227.311 2.029 10 0 BEAERO CC(C)c1[nH]nc(C2CCC2)c1CC[NH3+] ZINC000409439671 343847865 /nfs/dbraw/zinc/84/78/65/343847865.db2.gz JMQGMCZTOQKTFX-UHFFFAOYSA-N 1 0 207.321 2.302 10 0 BEAERO [NH3+]CCc1cn(CCF)nc1-c1ccsc1 ZINC000409437835 343848855 /nfs/dbraw/zinc/84/88/55/343848855.db2.gz JDZGPAKWEVMMFZ-UHFFFAOYSA-N 1 0 239.319 2.082 10 0 BEAERO CC(C)c1[nH]nc(-c2ccco2)c1CC[NH3+] ZINC000409437800 343848986 /nfs/dbraw/zinc/84/89/86/343848986.db2.gz ABTNJGKRXYCMJV-UHFFFAOYSA-N 1 0 219.288 2.294 10 0 BEAERO CCn1nc([C@H]2CCC[NH2+]C2)c2c1CCCC2 ZINC000409440177 343851240 /nfs/dbraw/zinc/85/12/40/343851240.db2.gz SGKRJCBODYZJGP-NSHDSACASA-N 1 0 233.359 2.249 10 0 BEAERO C[NH2+]Cc1c(-c2cccnc2)n[nH]c1C(C)C ZINC000409440287 343851873 /nfs/dbraw/zinc/85/18/73/343851873.db2.gz MAPIEDKZPGXQCB-UHFFFAOYSA-N 1 0 230.315 2.315 10 0 BEAERO CCCCn1cc(C2CC[NH2+]CC2)cn1 ZINC000575623289 343875797 /nfs/dbraw/zinc/87/57/97/343875797.db2.gz FWMQTXOESNPPDZ-UHFFFAOYSA-N 1 0 207.321 2.150 10 0 BEAERO CC(C)CCn1cc(C2CC[NH2+]CC2)cn1 ZINC000575623433 343876159 /nfs/dbraw/zinc/87/61/59/343876159.db2.gz QVDNVOLSNWIZKM-UHFFFAOYSA-N 1 0 221.348 2.396 10 0 BEAERO [NH3+]CCCc1cnn(CCc2ccccc2)c1 ZINC000575623388 343876307 /nfs/dbraw/zinc/87/63/07/343876307.db2.gz NUTRBVVKCDIOAF-UHFFFAOYSA-N 1 0 229.327 2.017 10 0 BEAERO C[NH2+]Cc1c(CC(C)C)[nH]nc1C(C)C ZINC000409442394 343857829 /nfs/dbraw/zinc/85/78/29/343857829.db2.gz ZGXYGWLDURFALV-UHFFFAOYSA-N 1 0 209.337 2.451 10 0 BEAERO C[N@@H+]1C[C@H](CO)C[C@H]1c1cccc(Cl)c1 ZINC000409442301 343857971 /nfs/dbraw/zinc/85/79/71/343857971.db2.gz UPUMMBCBMAMHRE-SKDRFNHKSA-N 1 0 225.719 2.325 10 0 BEAERO c1csc(-c2ccn(C[C@H]3CCC[NH2+]3)n2)c1 ZINC000409441729 343860896 /nfs/dbraw/zinc/86/08/96/343860896.db2.gz SXMHWRKRVROADH-SNVBAGLBSA-N 1 0 233.340 2.364 10 0 BEAERO [NH2+]=C(NO)[C@H](c1cccs1)N1CCCCC1 ZINC000409441803 343861444 /nfs/dbraw/zinc/86/14/44/343861444.db2.gz RDBXAKHBGGGDBH-JTQLQIEISA-N 1 0 239.344 2.231 10 0 BEAERO NC(=[NH2+])c1cc(-c2cccs2)nn1CC1CC1 ZINC000409443604 343861935 /nfs/dbraw/zinc/86/19/35/343861935.db2.gz QGQZAPYABIHQRS-UHFFFAOYSA-N 1 0 246.339 2.306 10 0 BEAERO CCn1nc(-c2cccs2)cc1C[NH2+]C ZINC000409443623 343862474 /nfs/dbraw/zinc/86/24/74/343862474.db2.gz QOHWCJKGCQVWNV-UHFFFAOYSA-N 1 0 221.329 2.351 10 0 BEAERO Cc1cc(C(F)(F)F)nn1C[C@H]1CCC[NH2+]C1 ZINC000409444028 343863908 /nfs/dbraw/zinc/86/39/08/343863908.db2.gz YZYRNLAYPKTHLH-VIFPVBQESA-N 1 0 247.264 2.210 10 0 BEAERO [NH3+]Cc1cc(-c2ccsc2)nn1CC1CC1 ZINC000409442888 343864910 /nfs/dbraw/zinc/86/49/10/343864910.db2.gz COJYETQFBSISQM-UHFFFAOYSA-N 1 0 233.340 2.480 10 0 BEAERO C[NH2+]Cc1cc(-c2ccsc2)nn1CCF ZINC000409443047 343865616 /nfs/dbraw/zinc/86/56/16/343865616.db2.gz FZWMJSMLLLLOLF-UHFFFAOYSA-N 1 0 239.319 2.301 10 0 BEAERO [NH3+]Cc1cc(-c2ccccc2)nn1CC1CC1 ZINC000409443195 343866013 /nfs/dbraw/zinc/86/60/13/343866013.db2.gz IPBJFGILUCMMGU-UHFFFAOYSA-N 1 0 227.311 2.419 10 0 BEAERO NC(=[NH2+])c1cc(-c2ccsc2)nn1CC1CC1 ZINC000409443289 343866637 /nfs/dbraw/zinc/86/66/37/343866637.db2.gz KNGDIPQQQBLYLA-UHFFFAOYSA-N 1 0 246.339 2.306 10 0 BEAERO [NH3+]CCc1cnn(C/C=C/c2ccccc2)c1 ZINC000575623335 343875662 /nfs/dbraw/zinc/87/56/62/343875662.db2.gz KEGYCRKZNWBNOT-QPJJXVBHSA-N 1 0 227.311 2.098 10 0 BEAERO CC(=O)Nc1ccc([C@H]2CCC[N@@H+](C)C2)cc1 ZINC000075906539 187278380 /nfs/dbraw/zinc/27/83/80/187278380.db2.gz DVZNIDZTOLZKRG-ZDUSSCGKSA-N 1 0 232.327 2.454 10 0 BEAERO C/C(=C/c1coc(Br)c1)C[NH3+] ZINC000393564622 343893301 /nfs/dbraw/zinc/89/33/01/343893301.db2.gz OSJBGOZUWZSCBF-KXFIGUGUSA-N 1 0 216.078 2.404 10 0 BEAERO CC(C)(C[NH3+])c1c(F)cc(F)cc1F ZINC000075934444 187279177 /nfs/dbraw/zinc/27/91/77/187279177.db2.gz GORHSMVOVDNSFK-UHFFFAOYSA-N 1 0 203.207 2.340 10 0 BEAERO Cc1ccsc1[C@@H](C)N1CC[NH2+]CC1 ZINC000022129281 343908298 /nfs/dbraw/zinc/90/82/98/343908298.db2.gz VAUINVNKWKXDAP-SNVBAGLBSA-N 1 0 210.346 2.023 10 0 BEAERO [NH3+][C@]1(c2cccc(Cl)c2)CCCOC1 ZINC000070012106 343945919 /nfs/dbraw/zinc/94/59/19/343945919.db2.gz AFTYNYDITNEQNH-LLVKDONJSA-N 1 0 211.692 2.304 10 0 BEAERO Cc1ccsc1[C@H](CN)[NH+]1CCCC1 ZINC000022170200 343916432 /nfs/dbraw/zinc/91/64/32/343916432.db2.gz UKNRTWWCIVPZRC-JTQLQIEISA-N 1 0 210.346 2.152 10 0 BEAERO CC(C)C[C@@H](C[NH3+])CCC(=O)N1CCCC1 ZINC000076612384 187279498 /nfs/dbraw/zinc/27/94/98/187279498.db2.gz VBPPWYZVMJSXIX-LBPRGKRZSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)[C@H](C[NH3+])CCC(=O)NC1CCCC1 ZINC000076612386 187279545 /nfs/dbraw/zinc/27/95/45/187279545.db2.gz SXDCSFYDWZEUDH-NSHDSACASA-N 1 0 226.364 2.056 10 0 BEAERO CC(=O)c1ccc(NC(=O)CC[C@H](C)C[NH3+])cc1 ZINC000076633790 187279925 /nfs/dbraw/zinc/27/99/25/187279925.db2.gz KFTGQKQZFZXMOU-JTQLQIEISA-N 1 0 248.326 2.203 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000634724459 343932643 /nfs/dbraw/zinc/93/26/43/343932643.db2.gz QMIWWEHYQBMZJA-CHWSQXEVSA-N 1 0 241.375 2.086 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC000070573301 343952707 /nfs/dbraw/zinc/95/27/07/343952707.db2.gz RLIAWTOGZWDQPF-CHWSQXEVSA-N 1 0 233.311 2.247 10 0 BEAERO CCc1cccc(CC)c1NC(=O)C1(C[NH3+])CC1 ZINC000077403062 187280954 /nfs/dbraw/zinc/28/09/54/187280954.db2.gz DPQOVFJORZDFJO-UHFFFAOYSA-N 1 0 246.354 2.489 10 0 BEAERO Cc1ncccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000092785335 343961144 /nfs/dbraw/zinc/96/11/44/343961144.db2.gz UUNXMUKAWLVFPZ-CQSZACIVSA-N 1 0 234.343 2.127 10 0 BEAERO CC(C)([NH3+])[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000082368798 187281856 /nfs/dbraw/zinc/28/18/56/187281856.db2.gz TXBAAORNIZPCIK-VIFPVBQESA-N 1 0 217.671 2.250 10 0 BEAERO Cc1cc(C)cc(C[C@@H]2COCC[C@H]2[NH3+])c1 ZINC000082366277 187281900 /nfs/dbraw/zinc/28/19/00/187281900.db2.gz YSTJBPVTMGWINR-ZIAGYGMSSA-N 1 0 219.328 2.210 10 0 BEAERO C[NH2+][C@@H]1CCCC[C@@H]1Sc1ncc[nH]1 ZINC000234450996 343969120 /nfs/dbraw/zinc/96/91/20/343969120.db2.gz BWFQPNLSSNEAQA-BDAKNGLRSA-N 1 0 211.334 2.032 10 0 BEAERO Nc1cccc(S[C@H]2CCC[NH2+]C2)c1 ZINC000083324038 187284114 /nfs/dbraw/zinc/28/41/14/187284114.db2.gz ITXDLPSGPRCDLS-NSHDSACASA-N 1 0 208.330 2.113 10 0 BEAERO CCN(C)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788781 347022885 /nfs/dbraw/zinc/02/28/85/347022885.db2.gz GPWFWXPNKWRUGV-UHFFFAOYSA-N 1 0 211.696 2.080 10 0 BEAERO CC(C)[N@H+](C)Cc1cccc2c1NCC2 ZINC000130465917 187286183 /nfs/dbraw/zinc/28/61/83/187286183.db2.gz WOHXMVYOMSQJAR-UHFFFAOYSA-N 1 0 204.317 2.495 10 0 BEAERO CC(C)N(C[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000095088178 187286642 /nfs/dbraw/zinc/28/66/42/187286642.db2.gz OXJQYKMAIYRWNY-VIFPVBQESA-N 1 0 224.270 2.359 10 0 BEAERO CCC1=C(OC)S[C@@](CC[NH3+])(OC)C1 ZINC000095080158 187287229 /nfs/dbraw/zinc/28/72/29/187287229.db2.gz WUMZFYYGFAVZOU-SNVBAGLBSA-N 1 0 217.334 2.083 10 0 BEAERO CSc1ccc(C[NH3+])c(OC2CC2)c1 ZINC000095738050 187287352 /nfs/dbraw/zinc/28/73/52/187287352.db2.gz OXTPTBXILIAENO-UHFFFAOYSA-N 1 0 209.314 2.408 10 0 BEAERO CSC[C@H](C)Nc1[nH+]cc(C)cc1N ZINC000127249860 344079339 /nfs/dbraw/zinc/07/93/39/344079339.db2.gz GREZMXOQEBFSFW-QMMMGPOBSA-N 1 0 211.334 2.136 10 0 BEAERO C1CCC([N@@H+]2CCC[C@@H]3COCC[C@@H]32)C1 ZINC000335914847 344085672 /nfs/dbraw/zinc/08/56/72/344085672.db2.gz PVXTYNIIQGOXDA-YPMHNXCESA-N 1 0 209.333 2.430 10 0 BEAERO CCCC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616570641 344174472 /nfs/dbraw/zinc/17/44/72/344174472.db2.gz NUHSYONURXERAM-UONOGXRCSA-N 1 0 246.354 2.130 10 0 BEAERO c1ncc(C[N@H+](C2CC2)C2CCCC2)cn1 ZINC000130207547 344122498 /nfs/dbraw/zinc/12/24/98/344122498.db2.gz MQJHLHUNIOWLJF-UHFFFAOYSA-N 1 0 217.316 2.384 10 0 BEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(C)C ZINC000249745917 362360889 /nfs/dbraw/zinc/36/08/89/362360889.db2.gz ZPBWFDYMOVZCPM-AGIUHOORSA-N 1 0 239.359 2.449 10 0 BEAERO Fc1cc(Cl)cnc1NCC1CC[NH2+]CC1 ZINC000086711143 344221532 /nfs/dbraw/zinc/22/15/32/344221532.db2.gz JYEDMYLUIHGXDS-UHFFFAOYSA-N 1 0 243.713 2.286 10 0 BEAERO C[C@@H](O)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000131182334 344229410 /nfs/dbraw/zinc/22/94/10/344229410.db2.gz DCIAXPKGXREKDB-RKDXNWHRSA-N 1 0 225.357 2.268 10 0 BEAERO C[C@@H]([NH2+]C[C@H](C)O)c1cc2c(s1)CCC2 ZINC000131182110 344229426 /nfs/dbraw/zinc/22/94/26/344229426.db2.gz DCIAXPKGXREKDB-DTWKUNHWSA-N 1 0 225.357 2.268 10 0 BEAERO C[C@H](NC(=O)C(C)(C)C)c1cccc(C[NH3+])c1 ZINC000616574409 344186867 /nfs/dbraw/zinc/18/68/67/344186867.db2.gz ZMIRRMALMKBXKV-JTQLQIEISA-N 1 0 234.343 2.369 10 0 BEAERO COCc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000088553514 344240677 /nfs/dbraw/zinc/24/06/77/344240677.db2.gz AGAISIBLOPNTAZ-CABCVRRESA-N 1 0 249.354 2.226 10 0 BEAERO O=C1CCCC[C@H]1C[N@@H+]1CCCSCC1 ZINC000060720476 344198803 /nfs/dbraw/zinc/19/88/03/344198803.db2.gz HXKDGCGRJLGTEK-NSHDSACASA-N 1 0 227.373 2.185 10 0 BEAERO CC[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)C1 ZINC000616577446 344200776 /nfs/dbraw/zinc/20/07/76/344200776.db2.gz XCJXWWRRTKJFFN-ZDUSSCGKSA-N 1 0 223.291 2.129 10 0 BEAERO CC(C)[C@H](C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236630958 187289805 /nfs/dbraw/zinc/28/98/05/187289805.db2.gz PBYCJCQUVINFJQ-CHWSQXEVSA-N 1 0 240.391 2.175 10 0 BEAERO Fc1cc(F)cc(CC[NH2+]Cc2cncnc2)c1 ZINC000054768256 344250178 /nfs/dbraw/zinc/25/01/78/344250178.db2.gz SZLUPSDKJMEXIX-UHFFFAOYSA-N 1 0 249.264 2.087 10 0 BEAERO CCOCCC[NH2+][C@@H]1CCCC[C@H]1F ZINC000616581460 344254307 /nfs/dbraw/zinc/25/43/07/344254307.db2.gz SGGYWPFJJCBYMB-GHMZBOCLSA-N 1 0 203.301 2.283 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCN(CC)CC1 ZINC000132289483 344297250 /nfs/dbraw/zinc/29/72/50/344297250.db2.gz CFRBCQNEUVAZNW-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO CCc1csc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000309371199 347043658 /nfs/dbraw/zinc/04/36/58/347043658.db2.gz BFLRXJDPSSEOKY-BXKDBHETSA-N 1 0 239.388 2.127 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@](C)(O)CSC ZINC000133270579 344315936 /nfs/dbraw/zinc/31/59/36/344315936.db2.gz NTMZVNWSUAMJDD-MNOVXSKESA-N 1 0 219.394 2.126 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCN1CCSCC1 ZINC000133670064 344320722 /nfs/dbraw/zinc/32/07/22/344320722.db2.gz FCEFMQJAIYTCJQ-GFCCVEGCSA-N 1 0 230.421 2.061 10 0 BEAERO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C=O)o2)C1 ZINC000158062532 344355029 /nfs/dbraw/zinc/35/50/29/344355029.db2.gz RTNCXOAHXBJOAF-NXEZZACHSA-N 1 0 207.273 2.322 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cccc(F)n1 ZINC000092665306 344300607 /nfs/dbraw/zinc/30/06/07/344300607.db2.gz HKFQMQGERCFMGJ-NSHDSACASA-N 1 0 237.322 2.141 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccnc(C(F)(F)F)c1 ZINC000385226703 344378311 /nfs/dbraw/zinc/37/83/11/344378311.db2.gz IFCCDOALMDIODK-JGVFFNPUSA-N 1 0 245.248 2.026 10 0 BEAERO Nc1c2cccc(CO)c2[nH+]c2c1CCCC2 ZINC000028638355 344380077 /nfs/dbraw/zinc/38/00/77/344380077.db2.gz LUWHOGXZYIVPJP-UHFFFAOYSA-N 1 0 228.295 2.188 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CCCCC1(F)F ZINC000385264056 344384893 /nfs/dbraw/zinc/38/48/93/344384893.db2.gz QWCWPILJAMKASF-VWYCJHECSA-N 1 0 232.318 2.233 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000228276187 259375631 /nfs/dbraw/zinc/37/56/31/259375631.db2.gz RQEQCOPNQBMYLJ-NTZNESFSSA-N 1 0 210.365 2.103 10 0 BEAERO CCOC(=O)[C@@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000167778624 347050456 /nfs/dbraw/zinc/05/04/56/347050456.db2.gz NVPIFHWSQGHKJC-SNVBAGLBSA-N 1 0 213.321 2.060 10 0 BEAERO CCNc1cc(Br)ccc1C(N)=[NH2+] ZINC000166035962 344407136 /nfs/dbraw/zinc/40/71/36/344407136.db2.gz ABCFFLSJPAEQKW-UHFFFAOYSA-N 1 0 242.120 2.165 10 0 BEAERO CCC(CC)(C[NH3+])CNC(=O)OC(C)(C)C ZINC000230205070 344443338 /nfs/dbraw/zinc/44/33/38/344443338.db2.gz IZBMHZIZHOBHHN-UHFFFAOYSA-N 1 0 230.352 2.276 10 0 BEAERO CC(C)(C)OC(=O)N1CC(C)(C)[NH2+]CC1(C)C ZINC000258082429 344463243 /nfs/dbraw/zinc/46/32/43/344463243.db2.gz VWFVTERSSBCUMP-UHFFFAOYSA-N 1 0 242.363 2.384 10 0 BEAERO CCc1ccc(CC[NH+]2CCCC2)nc1 ZINC000029131629 344475321 /nfs/dbraw/zinc/47/53/21/344475321.db2.gz LTRFAPGENZNRNS-UHFFFAOYSA-N 1 0 204.317 2.282 10 0 in-vivo BEAERO Cc1nc(C[C@]2(F)CCC[NH2+]C2)cs1 ZINC000158090783 344479330 /nfs/dbraw/zinc/47/93/30/344479330.db2.gz UGOCPQYMXIRDQP-SNVBAGLBSA-N 1 0 214.309 2.086 10 0 BEAERO Brc1cnccc1C[C@@H]1CCC[NH2+]1 ZINC000217086038 344482523 /nfs/dbraw/zinc/48/25/23/344482523.db2.gz SUFBPOKXRYDRMJ-VIFPVBQESA-N 1 0 241.132 2.139 10 0 BEAERO CC[C@@H](C)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000037109140 344488178 /nfs/dbraw/zinc/48/81/78/344488178.db2.gz JUKIDVCWNVGFIN-SNVBAGLBSA-N 1 0 220.316 2.016 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)C(C)(C)C ZINC000310002922 344494124 /nfs/dbraw/zinc/49/41/24/344494124.db2.gz FMRHAAFOYFBNDF-WDEREUQCSA-N 1 0 226.364 2.022 10 0 BEAERO CSCCNc1ccc2c([nH+]1)CCC2 ZINC000127597434 344570197 /nfs/dbraw/zinc/57/01/97/344570197.db2.gz GBJQTPXVMNQTLG-UHFFFAOYSA-N 1 0 208.330 2.345 10 0 BEAERO Cc1ccc(F)c([C@](C)(F)C[NH3+])c1F ZINC000158241205 344570835 /nfs/dbraw/zinc/57/08/35/344570835.db2.gz OFOLNUMIMYAURO-SNVBAGLBSA-N 1 0 203.207 2.417 10 0 BEAERO CCCCC[N@H+](C)[C@H](C)C(=O)OCC ZINC000043638563 344529197 /nfs/dbraw/zinc/52/91/97/344529197.db2.gz QBHCZLIFGAWEGI-SNVBAGLBSA-N 1 0 201.310 2.060 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccnc(N)c1 ZINC000616615380 344541724 /nfs/dbraw/zinc/54/17/24/344541724.db2.gz IAXGOJHXDDTCJY-LBPRGKRZSA-N 1 0 219.332 2.430 10 0 BEAERO C[C@](F)(C[NH3+])Cc1ccc(F)cc1F ZINC000158247663 344574496 /nfs/dbraw/zinc/57/44/96/344574496.db2.gz DWYUADQISSZOLE-SNVBAGLBSA-N 1 0 203.207 2.194 10 0 BEAERO C[C@H]1C[C@](O)(c2ccc(Cl)s2)C[N@@H+]1C ZINC000127474056 344545240 /nfs/dbraw/zinc/54/52/40/344545240.db2.gz DBCWRBNEPSGTCV-OIBJUYFYSA-N 1 0 231.748 2.313 10 0 BEAERO Brc1ccc(NCC2C[NH2+]C2)cc1 ZINC000217131728 344548080 /nfs/dbraw/zinc/54/80/80/344548080.db2.gz LKCLAPZTOWJTGL-UHFFFAOYSA-N 1 0 241.132 2.080 10 0 BEAERO Cc1ccc(F)c(NC(=O)[C@](C)([NH3+])C2CC2)c1 ZINC000037614428 178674512 /nfs/dbraw/zinc/67/45/12/178674512.db2.gz FJDABVZYLQYJDZ-CYBMUJFWSA-N 1 0 236.290 2.200 10 0 BEAERO [NH3+]C1CC(F)(c2cc(F)cc(F)c2)C1 ZINC000158151784 344556274 /nfs/dbraw/zinc/55/62/74/344556274.db2.gz VAZQFVPLMRXKLZ-UHFFFAOYSA-N 1 0 201.191 2.251 10 0 BEAERO F[C@H](Cc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000158262584 344576436 /nfs/dbraw/zinc/57/64/36/344576436.db2.gz DLOWSTKRKBEXPR-DTWKUNHWSA-N 1 0 214.309 2.023 10 0 BEAERO Cc1nn(C)cc1-c1ccc(C[NH3+])c(C)c1 ZINC000395298145 362426668 /nfs/dbraw/zinc/42/66/68/362426668.db2.gz IQBMXVXHQGOJQB-UHFFFAOYSA-N 1 0 215.300 2.163 10 0 BEAERO [NH3+][C@@H](CC=Cc1ccccc1)Cc1c[nH]cn1 ZINC000029401863 344595888 /nfs/dbraw/zinc/59/58/88/344595888.db2.gz JQCKGYNRROHKNT-LVDDQXARSA-N 1 0 227.311 2.383 10 0 BEAERO C[C@H](C[NH3+])CNc1ncccc1C(F)(F)F ZINC000083387668 133524723 /nfs/dbraw/zinc/52/47/23/133524723.db2.gz LJKUTKSHZQTCNX-SSDOTTSWSA-N 1 0 233.237 2.107 10 0 BEAERO Cc1nc(C[C@@]2(F)CC[C@@H]([NH3+])C2)cs1 ZINC000158300722 344583266 /nfs/dbraw/zinc/58/32/66/344583266.db2.gz IIESLCDVUMRAPT-PSASIEDQSA-N 1 0 214.309 2.214 10 0 BEAERO [NH3+][C@H]1CCC[C@@](F)(Cc2nccs2)C1 ZINC000158425255 344649517 /nfs/dbraw/zinc/64/95/17/344649517.db2.gz HPUMCFIZYAKRPG-WPRPVWTQSA-N 1 0 214.309 2.295 10 0 BEAERO CC(C)[C@@](F)(C[NH3+])c1cncc(F)c1 ZINC000158391512 344639760 /nfs/dbraw/zinc/63/97/60/344639760.db2.gz SFOVMFLIBVAEER-JTQLQIEISA-N 1 0 200.232 2.000 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@H]1CC ZINC000348160100 344641890 /nfs/dbraw/zinc/64/18/90/344641890.db2.gz KTHWJQPBACSHQC-MCIONIFRSA-N 1 0 243.391 2.332 10 0 BEAERO Nc1cc(NCc2cccs2)cc[nH+]1 ZINC000227651007 344726487 /nfs/dbraw/zinc/72/64/87/344726487.db2.gz UCWCFWNSUWVPQK-UHFFFAOYSA-N 1 0 205.286 2.337 10 0 BEAERO CCCC1(CCC)[NH2+]CCc2nc[nH]c21 ZINC000400410442 537855008 /nfs/dbraw/zinc/85/50/08/537855008.db2.gz WESMYJXXLRHEER-UHFFFAOYSA-N 1 0 207.321 2.351 10 0 BEAERO C[C@@H]1CN(c2ccccc2C=O)C[C@@H](C)[NH+]1C ZINC000116974416 344738659 /nfs/dbraw/zinc/73/86/59/344738659.db2.gz CUDTXLRAKIIRLG-VXGBXAGGSA-N 1 0 232.327 2.028 10 0 BEAERO OCc1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000231512372 344745350 /nfs/dbraw/zinc/74/53/50/344745350.db2.gz QFILDJGXACMQNJ-CYBMUJFWSA-N 1 0 205.301 2.384 10 0 BEAERO CC1CCC([C@@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000400399062 537855183 /nfs/dbraw/zinc/85/51/83/537855183.db2.gz NIYGNRVXNAXHRS-CBINBANVSA-N 1 0 219.332 2.423 10 0 BEAERO C[C@@H]1C[C@H](Nc2nsnc2Cl)CC[N@@H+]1C ZINC000158598063 344689706 /nfs/dbraw/zinc/68/97/06/344689706.db2.gz CECONFHYKQHXGL-RNFRBKRXSA-N 1 0 246.767 2.086 10 0 BEAERO C[C@H]1C[C@H](Nc2nsnc2Cl)CC[N@@H+]1C ZINC000158598190 344690430 /nfs/dbraw/zinc/69/04/30/344690430.db2.gz CECONFHYKQHXGL-NKWVEPMBSA-N 1 0 246.767 2.086 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400378088 537855239 /nfs/dbraw/zinc/85/52/39/537855239.db2.gz DLCVRMBCDXDIPS-JFGNBEQYSA-N 1 0 219.332 2.423 10 0 BEAERO Oc1ccc([C@H]2[NH2+]CCS2)cc1Cl ZINC000050522981 344706288 /nfs/dbraw/zinc/70/62/88/344706288.db2.gz VQCINHIXIHFANQ-VIFPVBQESA-N 1 0 215.705 2.381 10 0 BEAERO [NH3+]CCn1nc(-c2cccs2)cc1C1CC1 ZINC000231565811 344716029 /nfs/dbraw/zinc/71/60/29/344716029.db2.gz VMVCUDNRIDWOSO-UHFFFAOYSA-N 1 0 233.340 2.448 10 0 BEAERO COc1ccc([C@H](O)[C@@H]([NH3+])CC(C)C)cc1C ZINC000033466275 344758437 /nfs/dbraw/zinc/75/84/37/344758437.db2.gz GEGBNEYSIHNNIN-JSGCOSHPSA-N 1 0 237.343 2.410 10 0 BEAERO CS[C@@H]1CCCC[C@@H]1NC1=[NH+]CCS1 ZINC000235083144 344774816 /nfs/dbraw/zinc/77/48/16/344774816.db2.gz KJPWBMMTHAZRID-DTWKUNHWSA-N 1 0 230.402 2.353 10 0 BEAERO CC[C@H]1CC=C([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052728 537859767 /nfs/dbraw/zinc/85/97/67/537859767.db2.gz IGRHHORDNMIIEX-WCBMZHEXSA-N 1 0 237.265 2.375 10 0 BEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000039110029 178744311 /nfs/dbraw/zinc/74/43/11/178744311.db2.gz WKAZULKSMPUDAA-VXGBXAGGSA-N 1 0 218.300 2.061 10 0 BEAERO Cc1ccc(NC(=O)[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000051791609 178745312 /nfs/dbraw/zinc/74/53/12/178745312.db2.gz YOTOZWIGYXSFTJ-WCQYABFASA-N 1 0 232.327 2.322 10 0 BEAERO CC(C)C1CCC2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000675053281 537864750 /nfs/dbraw/zinc/86/47/50/537864750.db2.gz MEVHDSHMIAQNHE-QWKFWESOSA-N 1 0 225.332 2.093 10 0 BEAERO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000166447530 344898679 /nfs/dbraw/zinc/89/86/79/344898679.db2.gz KZFOJQGXYGCYLM-GHMZBOCLSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]1SCC[C@@]12[NH2+]C(C)(C)CS2 ZINC000235643973 344965486 /nfs/dbraw/zinc/96/54/86/344965486.db2.gz NPAFOKYPBICJCG-APPZFPTMSA-N 1 0 203.376 2.323 10 0 BEAERO [NH3+][C@]12CN(Cc3ccccc3)C[C@H]1CCCC2 ZINC000307124521 344984085 /nfs/dbraw/zinc/98/40/85/344984085.db2.gz YSRKXDRZBDXBAH-HUUCEWRRSA-N 1 0 230.355 2.390 10 0 BEAERO COc1ccc2cc([C@@H]([NH3+])CCO)ccc2c1 ZINC000044233109 344988285 /nfs/dbraw/zinc/98/82/85/344988285.db2.gz BLVUUPFBKADXGK-AWEZNQCLSA-N 1 0 231.295 2.231 10 0 BEAERO CCC([NH3+])(CC)CNc1ncc(C)c(C)n1 ZINC000386497829 344995886 /nfs/dbraw/zinc/99/58/86/344995886.db2.gz UBDRFEJHHDJSGN-UHFFFAOYSA-N 1 0 222.336 2.023 10 0 BEAERO CCC[NH2+]C[C@H](O)CO[C@H]1CCCC[C@H]1CC ZINC000247991770 345002522 /nfs/dbraw/zinc/00/25/22/345002522.db2.gz KSDDUNYKTRCMMO-RDBSUJKOSA-N 1 0 243.391 2.332 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C=C1CCC1 ZINC000153978336 345004426 /nfs/dbraw/zinc/00/44/26/345004426.db2.gz YPZBAZTVLKPCSU-UONOGXRCSA-N 1 0 248.370 2.182 10 0 BEAERO C[C@H]([NH3+])Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000011883679 345051486 /nfs/dbraw/zinc/05/14/86/345051486.db2.gz GYEXSCNUZQSGJM-YUMQZZPRSA-N 1 0 210.346 2.158 10 0 BEAERO C[C@H](N[C@H]1CCCC[C@H]1[NH3+])c1ccco1 ZINC000248021940 345015380 /nfs/dbraw/zinc/01/53/80/345015380.db2.gz JCBLCHTZHBNZCG-AXFHLTTASA-N 1 0 208.305 2.200 10 0 BEAERO C([C@H]1CCC2(CCCC2)C[NH2+]1)N1CCC1 ZINC000667594193 537884062 /nfs/dbraw/zinc/88/40/62/537884062.db2.gz CYEIKTSMAJLLKD-GFCCVEGCSA-N 1 0 208.349 2.005 10 0 BEAERO CCC[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155364600 345077291 /nfs/dbraw/zinc/07/72/91/345077291.db2.gz KPNANEFQAQQMBJ-AVGNSLFASA-N 1 0 240.391 2.268 10 0 BEAERO CC[C@H]([NH3+])Cc1ccc(Br)cn1 ZINC000044405400 345055917 /nfs/dbraw/zinc/05/59/17/345055917.db2.gz NTBNWCFAFWUTTI-QMMMGPOBSA-N 1 0 229.121 2.124 10 0 BEAERO Clc1cccnc1C[C@H]1CCC[NH2+]C1 ZINC000238506072 345063729 /nfs/dbraw/zinc/06/37/29/345063729.db2.gz WDMZIEWXIMYGNH-SECBINFHSA-N 1 0 210.708 2.277 10 0 BEAERO CC(C)[N@H+]1C[C@H](NC(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000155659893 345095133 /nfs/dbraw/zinc/09/51/33/345095133.db2.gz DDRLQCLSRDGNOQ-RYUDHWBXSA-N 1 0 240.391 2.268 10 0 BEAERO Cc1ccc(SC[C@H]2CCC[NH2+]C2)nc1 ZINC000095069159 178828372 /nfs/dbraw/zinc/82/83/72/178828372.db2.gz ITNJBORDVZBJHO-NSHDSACASA-N 1 0 222.357 2.482 10 0 BEAERO [NH3+]Cc1ccc(Cl)c(OC(F)(F)F)n1 ZINC000238679926 345108318 /nfs/dbraw/zinc/10/83/18/345108318.db2.gz OXKKPIZBMIXPSC-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO [NH3+]Cc1ccnc(Cl)c1OC(F)(F)F ZINC000238690280 345112779 /nfs/dbraw/zinc/11/27/79/345112779.db2.gz GLMPFKITAAOMSQ-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000156216257 345140132 /nfs/dbraw/zinc/14/01/32/345140132.db2.gz GGQBJRZBKONRQX-CQSZACIVSA-N 1 0 248.374 2.017 10 0 BEAERO COc1ccc([C@@H]2[C@@H](C[NH3+])C2(F)F)cc1 ZINC000675054422 537894509 /nfs/dbraw/zinc/89/45/09/537894509.db2.gz UUSGHCHULJWDBY-NXEZZACHSA-N 1 0 213.227 2.003 10 0 BEAERO CCCN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158743059 345370040 /nfs/dbraw/zinc/37/00/40/345370040.db2.gz UHZXMUQSRWHADO-LBPRGKRZSA-N 1 0 209.289 2.371 10 0 BEAERO [NH2+]=C(NC[C@@H]1CCSC1)C1CCCC1 ZINC000228612708 345375409 /nfs/dbraw/zinc/37/54/09/345375409.db2.gz NRWHKQYGPKGVOX-VIFPVBQESA-N 1 0 212.362 2.497 10 0 BEAERO CC(C)C(=O)C[N@@H+]1CC[C@H]2CCCC[C@@H]21 ZINC000134829864 345423331 /nfs/dbraw/zinc/42/33/31/345423331.db2.gz YBYMDZIMAWTILN-NEPJUHHUSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1ccc([C@@H](O)C2CC[NH2+]CC2)cc1C ZINC000011630779 178863149 /nfs/dbraw/zinc/86/31/49/178863149.db2.gz UUYYMCTVTFFGCG-AWEZNQCLSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1ccc([C@@H](O)C[NH2+]C(C)C)cc1C ZINC000049814008 178866620 /nfs/dbraw/zinc/86/66/20/178866620.db2.gz CLWGTSXQVPJMOG-ZDUSSCGKSA-N 1 0 207.317 2.335 10 0 BEAERO Cc1ccc([C@@H](O)[C@H]2CCC[NH2+]C2)cc1C ZINC000032013458 178869179 /nfs/dbraw/zinc/86/91/79/178869179.db2.gz IUWVWRSHPDTBCS-UONOGXRCSA-N 1 0 219.328 2.336 10 0 BEAERO CC(C)(C)OC(=O)c1cccc(CC[NH3+])c1 ZINC000082599482 345480931 /nfs/dbraw/zinc/48/09/31/345480931.db2.gz VEFODRCVLNFLRY-UHFFFAOYSA-N 1 0 221.300 2.143 10 0 BEAERO [NH3+][C@@H](c1ccoc1Br)C1CC1 ZINC000229299671 345484806 /nfs/dbraw/zinc/48/48/06/345484806.db2.gz BQYIYFCHLDGWQK-SSDOTTSWSA-N 1 0 216.078 2.452 10 0 BEAERO Cc1ccc([C@@H]2C[NH2+]CCCO2)cc1C ZINC000035598905 178875255 /nfs/dbraw/zinc/87/52/55/178875255.db2.gz XIVWGVKDEAULAP-ZDUSSCGKSA-N 1 0 205.301 2.354 10 0 BEAERO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2CO)C[C@H]1C ZINC000378768475 345560819 /nfs/dbraw/zinc/56/08/19/345560819.db2.gz DSPQMTSHFUTEJU-IKOXMDCHSA-N 1 0 225.376 2.418 10 0 BEAERO COc1cccc([C@H](O)[C@@H]([NH3+])CC(C)C)c1 ZINC000054929597 345562214 /nfs/dbraw/zinc/56/22/14/345562214.db2.gz JSVJYTXIPHCJMM-STQMWFEESA-N 1 0 223.316 2.102 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1cc(F)ccc1F ZINC000054929339 345565571 /nfs/dbraw/zinc/56/55/71/345565571.db2.gz WOQLZBYKWTVNJV-NWDGAFQWSA-N 1 0 229.270 2.372 10 0 BEAERO CC[C@](C)(C[NH3+])C(=O)Nc1ccsc1 ZINC000128177536 345519331 /nfs/dbraw/zinc/51/93/31/345519331.db2.gz RHOHHCYIHLGGGL-SNVBAGLBSA-N 1 0 212.318 2.062 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])c(C)c1 ZINC000037765427 178885667 /nfs/dbraw/zinc/88/56/67/178885667.db2.gz DZZBASLBPPCLLY-NEPJUHHUSA-N 1 0 234.343 2.218 10 0 BEAERO c1cc([C@H]2[NH2+]CCc3sccc32)sn1 ZINC000404452757 537903581 /nfs/dbraw/zinc/90/35/81/537903581.db2.gz JVBUURONCVMEGM-JTQLQIEISA-N 1 0 222.338 2.440 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000393635779 259383915 /nfs/dbraw/zinc/38/39/15/259383915.db2.gz WDGGRNIIJIFDSB-GRYCIOLGSA-N 1 0 215.312 2.283 10 0 BEAERO C[C@H](O)C[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000216464543 345743572 /nfs/dbraw/zinc/74/35/72/345743572.db2.gz YJIIIXKWENKDFO-FTPDJBBVSA-N 1 0 223.360 2.029 10 0 BEAERO Cc1ccccc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000150061353 345717714 /nfs/dbraw/zinc/71/77/14/345717714.db2.gz RLNBYBOWBVPODK-FZMZJTMJSA-N 1 0 219.328 2.198 10 0 BEAERO CNC(=O)CCC[NH2+]CCCC1CCCCC1 ZINC000200740175 345728851 /nfs/dbraw/zinc/72/88/51/345728851.db2.gz YEELREDUKSHWJX-UHFFFAOYSA-N 1 0 240.391 2.463 10 0 BEAERO Cc1ccc([C@H](O)CC[NH+](C)C)c(C)c1 ZINC000041166249 178911610 /nfs/dbraw/zinc/91/16/10/178911610.db2.gz AHUXBNFDRREZQG-CYBMUJFWSA-N 1 0 207.317 2.289 10 0 BEAERO COC(=O)CCCCc1ccc2c([nH+]1)NCCC2 ZINC000140393459 345808402 /nfs/dbraw/zinc/80/84/02/345808402.db2.gz WNPFGIUGMLXQRD-UHFFFAOYSA-N 1 0 248.326 2.326 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000074010477 537912228 /nfs/dbraw/zinc/91/22/28/537912228.db2.gz YDXVZAXBJZIPGH-NWDGAFQWSA-N 1 0 224.735 2.434 10 0 BEAERO C[C@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCCCC1 ZINC000168701576 345821553 /nfs/dbraw/zinc/82/15/53/345821553.db2.gz TUBOXDVNLNZONF-BXUZGUMPSA-N 1 0 235.327 2.300 10 0 BEAERO C[C@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCCCC1 ZINC000168701678 345821561 /nfs/dbraw/zinc/82/15/61/345821561.db2.gz TUBOXDVNLNZONF-RISCZKNCSA-N 1 0 235.327 2.300 10 0 BEAERO C[C@H]1CCCc2nc(C3CC[NH2+]CC3)cn21 ZINC000258447074 345783573 /nfs/dbraw/zinc/78/35/73/345783573.db2.gz PJEUGNBTTVMCCU-JTQLQIEISA-N 1 0 219.332 2.247 10 0 BEAERO [NH3+]CC1([C@@H](O)c2ccsc2Cl)CC1 ZINC000306267812 537912261 /nfs/dbraw/zinc/91/22/61/537912261.db2.gz HTSZHCCJLKZITE-ZETCQYMHSA-N 1 0 217.721 2.174 10 0 BEAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCOC[C@@H]2C)cc1 ZINC000042908418 178917448 /nfs/dbraw/zinc/91/74/48/178917448.db2.gz HCORKXWWWMGUJJ-YDHLFZDLSA-N 1 0 248.370 2.104 10 0 BEAERO CCCC(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000020233071 168535630 /nfs/dbraw/zinc/53/56/30/168535630.db2.gz GHKCXLXCDNVWLY-UHFFFAOYSA-N 1 0 238.306 2.308 10 0 BEAERO COc1ccc2c3c1[C@H](C[NH3+])CCC[C@@H]3CO2 ZINC000035049938 345847517 /nfs/dbraw/zinc/84/75/17/345847517.db2.gz IYUCMLOTRIBKPG-VHSXEESVSA-N 1 0 233.311 2.397 10 0 BEAERO CC[C@@H](O)CC[N@H+](C)Cc1ccccc1 ZINC000219154215 345856959 /nfs/dbraw/zinc/85/69/59/345856959.db2.gz YWKPWLUQHKQVEA-CYBMUJFWSA-N 1 0 207.317 2.279 10 0 BEAERO O=C(c1ccccc1)[C@@H]1CC2CC[NH+]1CC2 ZINC000136887111 345825193 /nfs/dbraw/zinc/82/51/93/345825193.db2.gz DNDSUVVGUXQWAH-ZDUSSCGKSA-N 1 0 215.296 2.354 10 0 BEAERO C[C@](O)(C[NH3+])c1ccccc1Cc1ccccc1 ZINC000034582211 345832919 /nfs/dbraw/zinc/83/29/19/345832919.db2.gz TVQYYFOLOZYHED-INIZCTEOSA-N 1 0 241.334 2.444 10 0 BEAERO COc1ccc2c(c1)C[C@H](CC[NH+](C)C)C2=O ZINC000034432556 345833526 /nfs/dbraw/zinc/83/35/26/345833526.db2.gz KNYFXBDLDVROFU-JTQLQIEISA-N 1 0 233.311 2.002 10 0 BEAERO COc1cccc2c1CC[C@@H]1CC[NH2+][C@H]21 ZINC000034484849 345835155 /nfs/dbraw/zinc/83/51/55/345835155.db2.gz NNMVGGQODPIWQI-RNCFNFMXSA-N 1 0 203.285 2.292 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336758492 187311477 /nfs/dbraw/zinc/31/14/77/187311477.db2.gz KRONKSUCEUWRTF-QJPTWQEYSA-N 1 0 211.349 2.172 10 0 BEAERO Brc1ccc(C2=CC[NH2+]C2)cc1 ZINC000143368891 345898864 /nfs/dbraw/zinc/89/88/64/345898864.db2.gz SMLMIGBZLAKLAP-UHFFFAOYSA-N 1 0 224.101 2.436 10 0 BEAERO Cc1ccc([C@H]([NH3+])CC2OCCO2)cc1C ZINC000235912295 345965684 /nfs/dbraw/zinc/96/56/84/345965684.db2.gz SNXZRJWATHZFFL-GFCCVEGCSA-N 1 0 221.300 2.066 10 0 BEAERO CC(C)CO[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000019268636 187312846 /nfs/dbraw/zinc/31/28/46/187312846.db2.gz ZRMVKXRSZHWSTQ-CHWSQXEVSA-N 1 0 205.301 2.284 10 0 BEAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc[nH]1 ZINC000190750957 345986330 /nfs/dbraw/zinc/98/63/30/345986330.db2.gz LADUGIKTMROYIN-NSHDSACASA-N 1 0 230.311 2.441 10 0 BEAERO Cc1cc(C)c([C@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000719502515 537931605 /nfs/dbraw/zinc/93/16/05/537931605.db2.gz ZGTGDKVRZVEMGP-NSHDSACASA-N 1 0 233.340 2.323 10 0 BEAERO [NH3+][C@H]1CCOc2c1ccc1c2CCCC1 ZINC000095638958 346080008 /nfs/dbraw/zinc/08/00/08/346080008.db2.gz HAJKFYXWBZOLKM-LBPRGKRZSA-N 1 0 203.285 2.348 10 0 BEAERO Cc1ccc(-c2cccc(N)c2)c(C[NH3+])n1 ZINC000669371970 537948153 /nfs/dbraw/zinc/94/81/53/537948153.db2.gz DSLDECKNHLHRFK-UHFFFAOYSA-N 1 0 213.284 2.098 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CNc1ccnc(Cl)n1 ZINC000051849418 346148172 /nfs/dbraw/zinc/14/81/72/346148172.db2.gz NCKDHCANHPIPIJ-VIFPVBQESA-N 1 0 240.738 2.026 10 0 BEAERO CC1(C)CC2(CC(=O)O[C@@H]2C[NH3+])CC(C)(C)C1 ZINC000675054649 537952857 /nfs/dbraw/zinc/95/28/57/537952857.db2.gz WJFZWAZNYFNVFN-SNVBAGLBSA-N 1 0 239.359 2.483 10 0 BEAERO Cc1cccc(=O)n1CC[NH2+]CCCC(C)C ZINC000053534246 179003224 /nfs/dbraw/zinc/00/32/24/179003224.db2.gz VUPVBJCZSIQJOD-UHFFFAOYSA-N 1 0 236.359 2.183 10 0 BEAERO Cc1cccc(=O)n1CC[NH2+]CCC(C)(C)C ZINC000053534260 179003346 /nfs/dbraw/zinc/00/33/46/179003346.db2.gz PHTGDJIBWAHXCK-UHFFFAOYSA-N 1 0 236.359 2.183 10 0 BEAERO [NH3+][C@@H]1CCCCC[C@H]1Sc1ncc[nH]1 ZINC000236298511 346223256 /nfs/dbraw/zinc/22/32/56/346223256.db2.gz UURBEXCYBFWJKY-RKDXNWHRSA-N 1 0 211.334 2.162 10 0 BEAERO c1ccc(CNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000034409277 346267194 /nfs/dbraw/zinc/26/71/94/346267194.db2.gz LAYCNBGYPRUPJI-BETUJISGSA-N 1 0 229.327 2.047 10 0 BEAERO CC(C)([NH3+])c1csc(C(F)(F)F)n1 ZINC000083289604 187319294 /nfs/dbraw/zinc/31/92/94/187319294.db2.gz CNKJOKRUPOLIGM-UHFFFAOYSA-N 1 0 210.224 2.356 10 0 BEAERO C[C@H]1C[C@H]([C@@](O)(C[NH3+])C(F)(F)F)C[C@@H](C)C1 ZINC000675052607 537964071 /nfs/dbraw/zinc/96/40/71/537964071.db2.gz GTXZWDVSRKYPOE-JLIMGVALSA-N 1 0 239.281 2.311 10 0 BEAERO CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000005650431 346295994 /nfs/dbraw/zinc/29/59/94/346295994.db2.gz QPNOCGKQRUGZAP-JTQLQIEISA-N 1 0 211.692 2.253 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(O)c1 ZINC000156084434 346360173 /nfs/dbraw/zinc/36/01/73/346360173.db2.gz LHJNNGSTLXOIHK-AWEZNQCLSA-N 1 0 248.370 2.308 10 0 BEAERO [NH3+][C@H](c1cscn1)C1CCSCC1 ZINC000401706829 362701173 /nfs/dbraw/zinc/70/11/73/362701173.db2.gz QZAURDVUGQRAIK-VIFPVBQESA-N 1 0 214.359 2.286 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@H](C)C(C)(C)C ZINC000172263628 346387504 /nfs/dbraw/zinc/38/75/04/346387504.db2.gz QUVVJKMGGGJQMY-SECBINFHSA-N 1 0 224.352 2.131 10 0 BEAERO Cc1cccc(CN(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000043501467 179069039 /nfs/dbraw/zinc/06/90/39/179069039.db2.gz SFNCLFRUMTYFFM-CQSZACIVSA-N 1 0 218.344 2.179 10 0 BEAERO CC[C@@](O)(C[N@H+](C)C(C)C)C(F)(F)F ZINC000669379718 537980832 /nfs/dbraw/zinc/98/08/32/537980832.db2.gz KQHVYLXRGOIXFX-MRVPVSSYSA-N 1 0 213.243 2.030 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1C(C)(C)C ZINC000725241769 537980861 /nfs/dbraw/zinc/98/08/61/537980861.db2.gz PHZBDKVALWOEDK-UWVGGRQHSA-N 1 0 227.348 2.210 10 0 BEAERO CC1(C)C[C@]([NH3+])(c2ccccc2)CCO1 ZINC000199301087 346464119 /nfs/dbraw/zinc/46/41/19/346464119.db2.gz NRDJCWQGQIQAEE-ZDUSSCGKSA-N 1 0 205.301 2.430 10 0 BEAERO Cc1cccc(C[NH2+]CCN(C)C)c1Cl ZINC000083355108 179092823 /nfs/dbraw/zinc/09/28/23/179092823.db2.gz ZFZQNJWWHHIQDO-UHFFFAOYSA-N 1 0 226.751 2.300 10 0 BEAERO CCCC[NH2+][C@H](CC)CC(=O)OCC ZINC000148875138 346473481 /nfs/dbraw/zinc/47/34/81/346473481.db2.gz OQSJBRZLIJQHHT-SNVBAGLBSA-N 1 0 201.310 2.108 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000037164504 179098954 /nfs/dbraw/zinc/09/89/54/179098954.db2.gz WBCXLTOKDPYIMH-ZIAGYGMSSA-N 1 0 219.328 2.388 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]CC2CC(O)C2)[C@@H](C)C1 ZINC000227793043 346507619 /nfs/dbraw/zinc/50/76/19/346507619.db2.gz DLWVMQLWJSFYKP-OVIZCXLRSA-N 1 0 211.349 2.172 10 0 BEAERO CCC[N@H+](CC)C[C@](O)(CC)C(F)(F)F ZINC000669379827 537982242 /nfs/dbraw/zinc/98/22/42/537982242.db2.gz KUCROASUPWCBHQ-SECBINFHSA-N 1 0 227.270 2.422 10 0 BEAERO OCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000020188246 259390521 /nfs/dbraw/zinc/39/05/21/259390521.db2.gz WHUJHZMNZCQCMJ-AWEZNQCLSA-N 1 0 231.295 2.341 10 0 BEAERO C[C@@H](c1nc([C@H]2CC[NH2+]C2)no1)C(C)(C)C ZINC000669379808 537981652 /nfs/dbraw/zinc/98/16/52/537981652.db2.gz HAHZUNPQFXCJID-IUCAKERBSA-N 1 0 223.320 2.296 10 0 BEAERO Cc1cccc(C[C@@](C)(O)[C@@H]2CCC[NH2+]C2)c1 ZINC000104120957 179105125 /nfs/dbraw/zinc/10/51/25/179105125.db2.gz UXALIBDFYXRQEX-HUUCEWRRSA-N 1 0 233.355 2.288 10 0 BEAERO Cc1cccc(N(C)C(=O)c2c[nH+]ccc2N)c1 ZINC000127414093 179114411 /nfs/dbraw/zinc/11/44/11/179114411.db2.gz VUVBKFRBRAQBOI-UHFFFAOYSA-N 1 0 241.294 2.249 10 0 BEAERO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000300379709 346531151 /nfs/dbraw/zinc/53/11/51/346531151.db2.gz CBSRFJITOTVQQK-DDHJBXDOSA-N 1 0 229.389 2.164 10 0 BEAERO CCC[N@H+](CC)C[C@@](O)(CC)C(F)(F)F ZINC000669379828 537983042 /nfs/dbraw/zinc/98/30/42/537983042.db2.gz KUCROASUPWCBHQ-VIFPVBQESA-N 1 0 227.270 2.422 10 0 BEAERO Cc1cccc(N2CC[NH2+]C[C@H](C)C2)c1C ZINC000049661616 179122183 /nfs/dbraw/zinc/12/21/83/179122183.db2.gz LEJYRDORWFIHNM-NSHDSACASA-N 1 0 218.344 2.349 10 0 BEAERO Cc1cccc(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000051360560 179122909 /nfs/dbraw/zinc/12/29/09/179122909.db2.gz QUNUDDQZAUTLBR-QWHCGFSZSA-N 1 0 231.343 2.111 10 0 BEAERO C[C@H]([NH3+])C[C@H](O)c1ccc(F)c(Cl)c1 ZINC000164149155 346592497 /nfs/dbraw/zinc/59/24/97/346592497.db2.gz UJZHWFUCGDICAW-WKEGUHRASA-N 1 0 217.671 2.250 10 0 BEAERO C[C@H]([NH3+])C[C@H](O)c1ccccc1Br ZINC000164146800 346592658 /nfs/dbraw/zinc/59/26/58/346592658.db2.gz ZTCSMPNAODOSGT-XVKPBYJWSA-N 1 0 244.132 2.220 10 0 BEAERO COC[C@H]([NH3+])[C@H]1CCCc2sccc21 ZINC000164296314 346599111 /nfs/dbraw/zinc/59/91/11/346599111.db2.gz VCCAVKRUWYFPMA-WPRPVWTQSA-N 1 0 211.330 2.142 10 0 BEAERO Cc1cccc(NC(=O)C2(C)CC[NH2+]CC2)c1 ZINC000062839640 179125524 /nfs/dbraw/zinc/12/55/24/179125524.db2.gz YEMHUGKVIBVROE-UHFFFAOYSA-N 1 0 232.327 2.323 10 0 BEAERO Cc1cccc(NC(=O)CC[C@@H](C)C[NH3+])c1 ZINC000076610338 179126048 /nfs/dbraw/zinc/12/60/48/179126048.db2.gz WEDHYAAPKWKTOU-LLVKDONJSA-N 1 0 220.316 2.309 10 0 BEAERO C[C@@]1([C@@H]([NH3+])Cc2nccs2)CCCS1 ZINC000164533566 346607988 /nfs/dbraw/zinc/60/79/88/346607988.db2.gz DTLZRWOQRJDGOO-WPRPVWTQSA-N 1 0 228.386 2.299 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2ncc(C)s2)C1 ZINC000302769171 346610370 /nfs/dbraw/zinc/61/03/70/346610370.db2.gz AZYATQXARUVQSX-JTQLQIEISA-N 1 0 225.361 2.348 10 0 BEAERO COc1cc([C@@H]2CCC[C@H](C)[NH2+]2)ccn1 ZINC000725242412 537984168 /nfs/dbraw/zinc/98/41/68/537984168.db2.gz ANKJOFURSWKHAT-ONGXEEELSA-N 1 0 206.289 2.293 10 0 BEAERO C[C@H]1CCCC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000187910525 346648970 /nfs/dbraw/zinc/64/89/70/346648970.db2.gz PGDKPKUMLWVIAL-NSHDSACASA-N 1 0 248.374 2.315 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ncnc2sccc21 ZINC000165729947 346657108 /nfs/dbraw/zinc/65/71/08/346657108.db2.gz JZWYWPKGPNKIKS-JGVFFNPUSA-N 1 0 236.344 2.229 10 0 BEAERO [NH3+][C@@H](c1ccccc1)[C@H](O)Cc1ccccc1 ZINC000034505586 346657804 /nfs/dbraw/zinc/65/78/04/346657804.db2.gz ATWURDULSBRNEK-CABCVRRESA-N 1 0 227.307 2.290 10 0 BEAERO Cc1cccc(NC(=O)N(C)C[C@H](C)C[NH3+])c1 ZINC000042455481 179130972 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/nfs/dbraw/zinc/18/43/85/179184385.db2.gz VXOPYDHBTBNISH-CQSZACIVSA-N 1 0 218.344 2.337 10 0 BEAERO Cc1cccc([C@@H](O)C(C)(C)C[NH3+])c1C ZINC000082640507 179185863 /nfs/dbraw/zinc/18/58/63/179185863.db2.gz OMEJLVRMEOFPGS-GFCCVEGCSA-N 1 0 207.317 2.322 10 0 BEAERO Cc1cccc([C@@H](O)[C@H]2CCC[NH2+]2)c1C ZINC000041214065 179188023 /nfs/dbraw/zinc/18/80/23/179188023.db2.gz WGZIOTAVWHYBBX-CHWSQXEVSA-N 1 0 205.301 2.089 10 0 BEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])n2ccnc2)c1 ZINC000042967743 179188047 /nfs/dbraw/zinc/18/80/47/179188047.db2.gz NBIAEIWHRBCQGN-DGCLKSJQSA-N 1 0 215.300 2.128 10 0 BEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C2CC2)c1 ZINC000042965921 179188460 /nfs/dbraw/zinc/18/84/60/179188460.db2.gz UUAIIOZRZXDUCU-BXUZGUMPSA-N 1 0 218.344 2.478 10 0 BEAERO Cc1cccc([C@@H]([C@H](C)[NH3+])n2cccn2)c1 ZINC000042967725 179189132 /nfs/dbraw/zinc/18/91/32/179189132.db2.gz PCULPZGXXNYLSR-WCQYABFASA-N 1 0 215.300 2.128 10 0 BEAERO Cc1cccc([C@@H]2CC3(CC[NH2+]2)OCCO3)c1 ZINC000041260662 179189508 /nfs/dbraw/zinc/18/95/08/179189508.db2.gz ICQLNJAQQMMHIW-ZDUSSCGKSA-N 1 0 233.311 2.163 10 0 BEAERO CCN1CCC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250329572 362800007 /nfs/dbraw/zinc/80/00/07/362800007.db2.gz OHWMLHVCDQOEQZ-WDEREUQCSA-N 1 0 210.346 2.232 10 0 BEAERO Cc1cccc([C@H]2CC3(CC[NH2+]2)OCCO3)c1 ZINC000041260664 179204174 /nfs/dbraw/zinc/20/41/74/179204174.db2.gz ICQLNJAQQMMHIW-CYBMUJFWSA-N 1 0 233.311 2.163 10 0 BEAERO Cc1nc(C)n([C@H](c2cccc(C)c2)[C@H](C)[NH3+])n1 ZINC000042967864 179204204 /nfs/dbraw/zinc/20/42/04/179204204.db2.gz DZVVWJHQFQMRLK-HZMBPMFUSA-N 1 0 244.342 2.140 10 0 BEAERO Cc1cccc([C@H](OC[C@@H]2CCOC2)[C@H](C)[NH3+])c1 ZINC000042969476 179204249 /nfs/dbraw/zinc/20/42/49/179204249.db2.gz ULDXXXDOZYAQGM-GZBFAFLISA-N 1 0 249.354 2.436 10 0 BEAERO Cc1cccc([C@H](CN)[NH+]2CCCC2)c1C ZINC000043314382 179198448 /nfs/dbraw/zinc/19/84/48/179198448.db2.gz WTEAFYNKRAVLNK-AWEZNQCLSA-N 1 0 218.344 2.399 10 0 BEAERO Cc1cccc([C@H](C[NH3+])N2CCCOCC2)c1C ZINC000061916511 179199225 /nfs/dbraw/zinc/19/92/25/179199225.db2.gz LMKHIEKTPZNMGQ-HNNXBMFYSA-N 1 0 248.370 2.026 10 0 BEAERO Cc1cccc([C@H](CCC[NH3+])C(=O)NC(C)C)c1 ZINC000076634567 179199266 /nfs/dbraw/zinc/19/92/66/179199266.db2.gz ZSUWXGLKZIYYKR-AWEZNQCLSA-N 1 0 248.370 2.342 10 0 BEAERO c1cc2c(o1)CC[NH2+][C@]21C[C@@H]2CCC[C@@H]21 ZINC000725242867 537988752 /nfs/dbraw/zinc/98/87/52/537988752.db2.gz HIBWAUBCRGTXDN-KWBADKCTSA-N 1 0 203.285 2.441 10 0 BEAERO CC(C)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188138500 347273305 /nfs/dbraw/zinc/27/33/05/347273305.db2.gz OYQQTOCQPOAGGD-STQMWFEESA-N 1 0 239.384 2.412 10 0 BEAERO Cc1cccc([C@H]([C@H](C)N)[NH+]2CCCC2)c1 ZINC000042965339 179203573 /nfs/dbraw/zinc/20/35/73/179203573.db2.gz UUKCLRCTMQHDLJ-JSGCOSHPSA-N 1 0 218.344 2.479 10 0 BEAERO Cc1cccc2c(NCCCO)cc[nH+]c12 ZINC000301663192 179211909 /nfs/dbraw/zinc/21/19/09/179211909.db2.gz KHPNYBNZYRDZMA-UHFFFAOYSA-N 1 0 216.284 2.338 10 0 BEAERO CCCC(=O)OC[C@H]1CCC[N@H+](CCF)C1 ZINC000090416093 168569988 /nfs/dbraw/zinc/56/99/88/168569988.db2.gz RMQZYSMOIGZVSU-NSHDSACASA-N 1 0 231.311 2.011 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CCC)C1CC1 ZINC000193246999 347392991 /nfs/dbraw/zinc/39/29/91/347392991.db2.gz YCBOGFCQCZEGSQ-ZDUSSCGKSA-N 1 0 229.364 2.038 10 0 BEAERO Cc1cccc2sc(C[C@@H]3COCC[NH2+]3)nc21 ZINC000076167416 179234090 /nfs/dbraw/zinc/23/40/90/179234090.db2.gz LRDWFMKLWZBNGG-SNVBAGLBSA-N 1 0 248.351 2.136 10 0 BEAERO Cc1cccc2sc([C@H]3C[NH2+]CCO3)nc21 ZINC000083113500 179234190 /nfs/dbraw/zinc/23/41/90/179234190.db2.gz JXDUDGONQMUDER-SECBINFHSA-N 1 0 234.324 2.266 10 0 BEAERO Cc1ccccc1-c1c[nH]c(C[C@H](C)[NH3+])n1 ZINC000037476828 179236366 /nfs/dbraw/zinc/23/63/66/179236366.db2.gz UWPMETMRLFGWAU-JTQLQIEISA-N 1 0 215.300 2.275 10 0 BEAERO Cc1ccccc1-c1nc([C@@H](C)[NH3+])no1 ZINC000041052263 179238665 /nfs/dbraw/zinc/23/86/65/179238665.db2.gz YOURBXWFUJPVEB-MRVPVSSYSA-N 1 0 203.245 2.065 10 0 BEAERO Cc1ccccc1C(=O)CC[NH+]1CCC(O)CC1 ZINC000054013216 179246043 /nfs/dbraw/zinc/24/60/43/179246043.db2.gz GQRAZNPFHGOOQK-UHFFFAOYSA-N 1 0 247.338 2.025 10 0 BEAERO Cc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000051572950 179249914 /nfs/dbraw/zinc/24/99/14/179249914.db2.gz BGHVOAXTWYKLFT-OLZOCXBDSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1ccccc1C(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000035690778 179251429 /nfs/dbraw/zinc/25/14/29/179251429.db2.gz AEXDPTAYDBPYIC-GXTWGEPZSA-N 1 0 246.354 2.255 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccccc1OC(F)F ZINC000036779200 347572914 /nfs/dbraw/zinc/57/29/14/347572914.db2.gz DGXAOTIJWUKTOL-WCBMZHEXSA-N 1 0 231.242 2.059 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000036779451 347576840 /nfs/dbraw/zinc/57/68/40/347576840.db2.gz LATAZQFZWNFBLV-ZJUUUORDSA-N 1 0 231.242 2.059 10 0 BEAERO Cc1ccccc1CN(C)c1cccc(C[NH3+])n1 ZINC000051397895 179271393 /nfs/dbraw/zinc/27/13/93/179271393.db2.gz DDSQGIBNBQWWJH-UHFFFAOYSA-N 1 0 241.338 2.485 10 0 BEAERO Cc1ccccc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000035255399 179281375 /nfs/dbraw/zinc/28/13/75/179281375.db2.gz OKPNWNRUSJPJER-UHFFFAOYSA-N 1 0 246.354 2.129 10 0 BEAERO Cc1ccccc1CN1CC[NH2+][C@@H](C)CC1 ZINC000049662205 179273741 /nfs/dbraw/zinc/27/37/41/179273741.db2.gz GYUAJUNIKWOQQX-ZDUSSCGKSA-N 1 0 218.344 2.179 10 0 BEAERO Cc1ccccc1CNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000048265963 179278155 /nfs/dbraw/zinc/27/81/55/179278155.db2.gz ISDTZAIQEPSFEC-AWEZNQCLSA-N 1 0 246.354 2.143 10 0 BEAERO Cc1ccccc1COC[C@@H]1CCC[NH2+]1 ZINC000028521828 179286182 /nfs/dbraw/zinc/28/61/82/179286182.db2.gz QKPJSXPVVLIKDU-ZDUSSCGKSA-N 1 0 205.301 2.264 10 0 BEAERO Cc1ccccc1Cn1ccc(CC[NH3+])c1 ZINC000071519073 179294845 /nfs/dbraw/zinc/29/48/45/179294845.db2.gz LWKZPEXTCMHYQA-UHFFFAOYSA-N 1 0 214.312 2.346 10 0 BEAERO Cc1ccccc1N(C)[C@@H]1CCC[NH2+]C1 ZINC000049986713 179294858 /nfs/dbraw/zinc/29/48/58/179294858.db2.gz IAVAFOIDFLZIOZ-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccccc1C[C@H](C)[NH2+]Cc1nccn1C ZINC000051923723 179290922 /nfs/dbraw/zinc/29/09/22/179290922.db2.gz LJNSGITWIIRWNB-ZDUSSCGKSA-N 1 0 243.354 2.449 10 0 BEAERO Cc1ccccc1C[C@H](C[NH3+])C(=O)NC(C)(C)C ZINC000050304477 179291758 /nfs/dbraw/zinc/29/17/58/179291758.db2.gz NOZXRYISMBGFHT-CYBMUJFWSA-N 1 0 248.370 2.027 10 0 BEAERO CC[C@H]([NH3+])CNc1cccc(C(F)(F)F)n1 ZINC000082579388 347859313 /nfs/dbraw/zinc/85/93/13/347859313.db2.gz ONCLZFUIVBNFSU-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO CC[C@H]([NH3+])CNc1ncccc1C(F)(F)F ZINC000082579350 347858638 /nfs/dbraw/zinc/85/86/38/347858638.db2.gz BTLNUTBEUQUQKA-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO Cc1ccccc1O[C@H](C[NH3+])C(F)(F)F ZINC000037169976 179313789 /nfs/dbraw/zinc/31/37/89/179313789.db2.gz ODBVAQSCYHAGJD-SECBINFHSA-N 1 0 219.206 2.263 10 0 BEAERO Cc1ccccc1Oc1ccnc(C(N)=[NH2+])c1 ZINC000061814464 179314624 /nfs/dbraw/zinc/31/46/24/179314624.db2.gz ZRCXWYNSIAKVRY-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO C[C@@H]1CCC[N@H+](CC[C@@H]2CCC2=O)[C@H]1C ZINC000669381552 537994736 /nfs/dbraw/zinc/99/47/36/537994736.db2.gz NYFNRVZHCZJONM-WOPDTQHZSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1ccccc1[C@@H](O)[C@H]1CCCC[NH2+]1 ZINC000041213737 179325994 /nfs/dbraw/zinc/32/59/94/179325994.db2.gz MWLFTQBITNMDIO-CHWSQXEVSA-N 1 0 205.301 2.171 10 0 BEAERO Cc1ccccc1[C@@H]([C@H](C)N)[NH+]1CCCC1 ZINC000043033261 179328663 /nfs/dbraw/zinc/32/86/63/179328663.db2.gz WAFPXFYLPSMKFY-GXTWGEPZSA-N 1 0 218.344 2.479 10 0 BEAERO C[C@@H]1C[C@H](C)[NH2+][C@H](CN2CCC[C@H](C)C2)C1 ZINC000669381570 537995769 /nfs/dbraw/zinc/99/57/69/537995769.db2.gz OKSRYYLMNCNEAG-CRWXNKLISA-N 1 0 224.392 2.495 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000037163631 348027852 /nfs/dbraw/zinc/02/78/52/348027852.db2.gz PPAXWXOMQOPXMH-QWRGUYRKSA-N 1 0 225.357 2.450 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000148553585 179336876 /nfs/dbraw/zinc/33/68/76/179336876.db2.gz WASMDZZHFZCBIZ-FPMFFAJLSA-N 1 0 246.354 2.300 10 0 BEAERO Cc1ccccc1[C@@H]1[NH2+]CCn2cccc21 ZINC000032500382 179332196 /nfs/dbraw/zinc/33/21/96/179332196.db2.gz PSKNSMKKAVBFAY-AWEZNQCLSA-N 1 0 212.296 2.489 10 0 BEAERO Cc1ccccc1[C@@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784345 179332847 /nfs/dbraw/zinc/33/28/47/179332847.db2.gz LLEDXZSNQZQCRP-WPRPVWTQSA-N 1 0 233.233 2.092 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037166120 348024962 /nfs/dbraw/zinc/02/49/62/348024962.db2.gz XTZCDDHMCCCFKA-ZIAGYGMSSA-N 1 0 249.354 2.397 10 0 BEAERO CCCC(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616570844 348075329 /nfs/dbraw/zinc/07/53/29/348075329.db2.gz CVUBRCBIWDTADW-SNVBAGLBSA-N 1 0 220.316 2.123 10 0 BEAERO Cc1ccccc1[C@H]([NH2+]C1CCCCC1)C(N)=O ZINC000037969721 179343510 /nfs/dbraw/zinc/34/35/10/179343510.db2.gz NLKVWGRGXNUCAN-AWEZNQCLSA-N 1 0 246.354 2.444 10 0 BEAERO Cc1nccn1C[C@@H]([NH3+])c1ccccc1C ZINC000023067421 179344020 /nfs/dbraw/zinc/34/40/20/179344020.db2.gz BFOZONSTONXGKD-CYBMUJFWSA-N 1 0 215.300 2.200 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CN1C[C@H](C)OC[C@@H]1C ZINC000035784151 179344279 /nfs/dbraw/zinc/34/42/79/179344279.db2.gz YUNUVWSBCYWIND-KCQAQPDRSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1ccccc1[C@H](O)[C@H]([NH3+])CC(C)C ZINC000054929571 179345079 /nfs/dbraw/zinc/34/50/79/179345079.db2.gz KEYODPLQBUWIQW-OLZOCXBDSA-N 1 0 207.317 2.402 10 0 BEAERO CCN1CC[N@H+](CC)Cc2ccccc21 ZINC000196895298 348053893 /nfs/dbraw/zinc/05/38/93/348053893.db2.gz KOLSWCJZPKTQOG-UHFFFAOYSA-N 1 0 204.317 2.348 10 0 BEAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCO[C@H](C)C1 ZINC000043033459 179346599 /nfs/dbraw/zinc/34/65/99/179346599.db2.gz QXQXFBZLFGZYED-NFAWXSAZSA-N 1 0 248.370 2.104 10 0 BEAERO CCSC1(C[NH2+]Cc2cnn(C)c2C)CC1 ZINC000594987098 348166440 /nfs/dbraw/zinc/16/64/40/348166440.db2.gz RMLDTJRAOUQIMD-UHFFFAOYSA-N 1 0 239.388 2.104 10 0 BEAERO COc1nsc(C[NH2+]C2CCC2)c1Cl ZINC000616571547 348200004 /nfs/dbraw/zinc/20/00/04/348200004.db2.gz LUIVOVZVBQYBOC-UHFFFAOYSA-N 1 0 232.736 2.447 10 0 BEAERO Cc1cccnc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000161797392 179382084 /nfs/dbraw/zinc/38/20/84/179382084.db2.gz RLPILNWNZXBFEB-WCQYABFASA-N 1 0 220.316 2.047 10 0 BEAERO C[NH2+]CCCc1cnn(CCC(C)C)c1 ZINC000054681020 348270086 /nfs/dbraw/zinc/27/00/86/348270086.db2.gz XQTJLADBURQVCF-UHFFFAOYSA-N 1 0 209.337 2.081 10 0 BEAERO Cc1cccnc1[C@@H]1[NH2+]CCc2cc(O)ccc21 ZINC000038805225 179397123 /nfs/dbraw/zinc/39/71/23/179397123.db2.gz QNCOEDSGEFGFNB-OAHLLOKOSA-N 1 0 240.306 2.331 10 0 BEAERO C[C@H]([NH3+])[C@H](C)[S@@](=O)[C@H]1CCC[C@@H](C)C1 ZINC000251679039 362896889 /nfs/dbraw/zinc/89/68/89/362896889.db2.gz GTAAITNSROVSJG-ADADXYTCSA-N 1 0 217.378 2.050 10 0 BEAERO Cc1ccnc(N2CCC[C@H]2C[NH2+]C2CC2)c1 ZINC000053695274 179431959 /nfs/dbraw/zinc/43/19/59/179431959.db2.gz PPTFFHIAYXEAAB-ZDUSSCGKSA-N 1 0 231.343 2.111 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1ccc(Br)cc1F ZINC000037381831 348394685 /nfs/dbraw/zinc/39/46/85/348394685.db2.gz JECUOTQOACDIOO-APPZFPTMSA-N 1 0 230.080 2.403 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1ccc(F)c(Br)c1 ZINC000037381347 348394757 /nfs/dbraw/zinc/39/47/57/348394757.db2.gz YCPMAXAYNKVODH-RCOVLWMOSA-N 1 0 230.080 2.403 10 0 BEAERO CC(C)N(C)c1nc(C[NH3+])ccc1Cl ZINC000669382886 538005100 /nfs/dbraw/zinc/00/51/00/538005100.db2.gz NGVRIQKVGPTNJN-UHFFFAOYSA-N 1 0 213.712 2.038 10 0 BEAERO CC[C@@H](C)c1nc([C@@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669382888 538005348 /nfs/dbraw/zinc/00/53/48/538005348.db2.gz NHHYARQSCFKOAX-BDAKNGLRSA-N 1 0 221.304 2.120 10 0 BEAERO Cc1ccnc(Oc2cccc(F)c2C[NH3+])n1 ZINC000061859849 179463494 /nfs/dbraw/zinc/46/34/94/179463494.db2.gz FWTMKURVLHGTMP-UHFFFAOYSA-N 1 0 233.246 2.175 10 0 BEAERO Cc1ccnc(SC[C@@H]2CC[NH2+]C2)c1 ZINC000095069309 179464054 /nfs/dbraw/zinc/46/40/54/179464054.db2.gz FENYARHSDQZNMX-SNVBAGLBSA-N 1 0 208.330 2.092 10 0 BEAERO Cc1ccnc(S[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000051331837 179464677 /nfs/dbraw/zinc/46/46/77/179464677.db2.gz JHFBXEHDRXUBPY-VHSXEESVSA-N 1 0 223.345 2.005 10 0 BEAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037164890 179548372 /nfs/dbraw/zinc/54/83/72/179548372.db2.gz BUGILJPPLUOZDB-MNOVXSKESA-N 1 0 225.357 2.450 10 0 BEAERO Cc1ccccc1[C@@H](C)[NH2+]CCCn1ccnn1 ZINC000125630386 348592786 /nfs/dbraw/zinc/59/27/86/348592786.db2.gz OTXXTSGWKQKGLC-CYBMUJFWSA-N 1 0 244.342 2.327 10 0 BEAERO Cc1ccc2c(c1Cl)NC[C@@]21C[C@@H]1[NH3+] ZINC000725246900 538008117 /nfs/dbraw/zinc/00/81/17/538008117.db2.gz ADUCDHONSHYVOH-KWQFWETISA-N 1 0 208.692 2.043 10 0 BEAERO Cc1cnc(C[NH2+]Cc2cccs2)cn1 ZINC000037927595 179606439 /nfs/dbraw/zinc/60/64/39/179606439.db2.gz ONWOVXSVMZBXGV-UHFFFAOYSA-N 1 0 219.313 2.136 10 0 BEAERO Cc1ccc(N2CC[C@H]([NH3+])C2)c(Cl)c1 ZINC000037483551 348621350 /nfs/dbraw/zinc/62/13/50/348621350.db2.gz WNERNGLLHIQBEI-VIFPVBQESA-N 1 0 210.708 2.186 10 0 BEAERO C[C@H]1CS[C@@]2(CCN(Cc3ccccc3)C2)[NH2+]1 ZINC000159143010 348624952 /nfs/dbraw/zinc/62/49/52/348624952.db2.gz LJQODBBJMSUZCS-GXTWGEPZSA-N 1 0 248.395 2.314 10 0 BEAERO CC(C)CN1C[C@@]2(C[C@H]2[NH3+])c2ccccc21 ZINC000725246921 538008421 /nfs/dbraw/zinc/00/84/21/538008421.db2.gz BAQKMAWXSPRXCI-KGLIPLIRSA-N 1 0 216.328 2.131 10 0 BEAERO CCCN1C[C@]2(C[C@@H]2[NH3+])c2cc(C)ccc21 ZINC000725246944 538008856 /nfs/dbraw/zinc/00/88/56/538008856.db2.gz BJWJKNXVHFYOCV-UONOGXRCSA-N 1 0 216.328 2.194 10 0 BEAERO CC(C)CN1C[C@]2(C[C@@H]2[NH3+])c2ccccc21 ZINC000725246922 538009646 /nfs/dbraw/zinc/00/96/46/538009646.db2.gz BAQKMAWXSPRXCI-UONOGXRCSA-N 1 0 216.328 2.131 10 0 BEAERO CCCNC(=O)C[NH2+]CC1CCCCCC1 ZINC000084328567 535078623 /nfs/dbraw/zinc/07/86/23/535078623.db2.gz JRKLCLOKFVHKMI-UHFFFAOYSA-N 1 0 226.364 2.073 10 0 BEAERO CC(C)c1ccc2c(c1)[C@]1(C[C@H]1[NH3+])CN2 ZINC000725247814 538013959 /nfs/dbraw/zinc/01/39/59/538013959.db2.gz ZMFWDDIVVICYAF-OLZOCXBDSA-N 1 0 202.301 2.204 10 0 BEAERO CC(C)c1cccc2c1NC[C@@]21C[C@@H]1[NH3+] ZINC000725247783 538013840 /nfs/dbraw/zinc/01/38/40/538013840.db2.gz YBIFVVKPINJEDY-AAEUAGOBSA-N 1 0 202.301 2.204 10 0 BEAERO CC(C)c1ccc2c(c1)[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725247816 538014433 /nfs/dbraw/zinc/01/44/33/538014433.db2.gz ZMFWDDIVVICYAF-STQMWFEESA-N 1 0 202.301 2.204 10 0 BEAERO CC1(NC(=O)C[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000054292306 348963581 /nfs/dbraw/zinc/96/35/81/348963581.db2.gz KODBYAUHMIIQOM-GFCCVEGCSA-N 1 0 238.375 2.215 10 0 BEAERO CCC[C@@H](CC)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292660 348964063 /nfs/dbraw/zinc/96/40/63/348964063.db2.gz DGBFIKAMMRWFEK-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000054292715 348964214 /nfs/dbraw/zinc/96/42/14/348964214.db2.gz LPBMNWAKYGBEKI-AGIUHOORSA-N 1 0 238.375 2.023 10 0 BEAERO CCC[C@H](CC)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292669 348964258 /nfs/dbraw/zinc/96/42/58/348964258.db2.gz DGBFIKAMMRWFEK-NEPJUHHUSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)[C@@H]2CC2(C)C)c1 ZINC000309402503 179740648 /nfs/dbraw/zinc/74/06/48/179740648.db2.gz HNXHIVFFGQRONT-NEPJUHHUSA-N 1 0 221.348 2.216 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CCC23CCC3)c1 ZINC000309612797 179740875 /nfs/dbraw/zinc/74/08/75/179740875.db2.gz AROCILWQEHGVRM-LBPRGKRZSA-N 1 0 219.332 2.114 10 0 BEAERO Cc1cnn([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])c1 ZINC000043365518 179746492 /nfs/dbraw/zinc/74/64/92/179746492.db2.gz YTHCVRVQINNHKY-ZYHUDNBSSA-N 1 0 219.288 2.030 10 0 BEAERO CC(C)CC(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616573414 349070009 /nfs/dbraw/zinc/07/00/09/349070009.db2.gz RZGFHYRDRRKHFS-NSHDSACASA-N 1 0 234.343 2.369 10 0 BEAERO CCC(C)(C)[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616575773 349094427 /nfs/dbraw/zinc/09/44/27/349094427.db2.gz DJFPMSSUBPPWSU-GFCCVEGCSA-N 1 0 222.376 2.391 10 0 BEAERO Cc1ccc(OC(F)(F)F)c(C[NH3+])c1 ZINC000616575993 349094859 /nfs/dbraw/zinc/09/48/59/349094859.db2.gz KFDKTOIJIRBNJE-UHFFFAOYSA-N 1 0 205.179 2.352 10 0 BEAERO C/C=C(\C)C(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616573194 349068010 /nfs/dbraw/zinc/06/80/10/349068010.db2.gz QPZRBAZEUAGVMY-INJWIWPUSA-N 1 0 232.327 2.289 10 0 BEAERO C/C=C(\C)C(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616573196 349068021 /nfs/dbraw/zinc/06/80/21/349068021.db2.gz QPZRBAZEUAGVMY-LLMHMKPQSA-N 1 0 232.327 2.289 10 0 BEAERO Cc1csc(C[C@H]([NH3+])CC2CCOCC2)n1 ZINC000055267878 179781788 /nfs/dbraw/zinc/78/17/88/179781788.db2.gz OBTCCUGUKQQFJT-LLVKDONJSA-N 1 0 240.372 2.138 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000251577287 349187936 /nfs/dbraw/zinc/18/79/36/349187936.db2.gz JHRRTNZZVDHOOE-YNEHKIRRSA-N 1 0 238.375 2.166 10 0 BEAERO Cc1csc(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000050164030 179788731 /nfs/dbraw/zinc/78/87/31/179788731.db2.gz OQNDDSCKSXWQQM-UWVGGRQHSA-N 1 0 225.361 2.252 10 0 BEAERO CC(C)[NH2+]C[C@H](O)c1ccnn1C1CCCC1 ZINC000725253531 538037643 /nfs/dbraw/zinc/03/76/43/538037643.db2.gz QHQINSORNKMJSR-ZDUSSCGKSA-N 1 0 237.347 2.030 10 0 BEAERO CCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1F ZINC000616581449 349264190 /nfs/dbraw/zinc/26/41/90/349264190.db2.gz RPFCUZSDLLHAFP-HBNTYKKESA-N 1 0 203.301 2.282 10 0 BEAERO Cn1c(C(C)(C)C)nc2c1[C@H]([NH3+])CCC2 ZINC000725253508 538038074 /nfs/dbraw/zinc/03/80/74/538038074.db2.gz OPKCWYXSBFKLBI-MRVPVSSYSA-N 1 0 207.321 2.054 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccncc1 ZINC000160984516 349350542 /nfs/dbraw/zinc/35/05/42/349350542.db2.gz BYSIZXZXWFNVKT-FPMFFAJLSA-N 1 0 234.343 2.426 10 0 BEAERO CC(C)C1CCC([NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000309019322 349305067 /nfs/dbraw/zinc/30/50/67/349305067.db2.gz WCDXXKILKABWDM-PYNQCMFNSA-N 1 0 211.349 2.172 10 0 BEAERO COc1cccc([C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC000143796199 349313389 /nfs/dbraw/zinc/31/33/89/349313389.db2.gz HJNMSNZVROLPNP-KGYLQXTDSA-N 1 0 203.285 2.018 10 0 BEAERO Cc1nc(-c2ccccc2)nc(C)c1CC[NH3+] ZINC000020397238 179867018 /nfs/dbraw/zinc/86/70/18/179867018.db2.gz OMPAENZDGDMMRQ-UHFFFAOYSA-N 1 0 227.311 2.262 10 0 BEAERO CC(C)(C)N1c2ccccc2NC[C@@H]1CC[NH3+] ZINC000616586546 349398239 /nfs/dbraw/zinc/39/82/39/349398239.db2.gz XNJLLKFEUXDAAG-NSHDSACASA-N 1 0 233.359 2.434 10 0 BEAERO C[NH2+][C@@H]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000309048825 349403261 /nfs/dbraw/zinc/40/32/61/349403261.db2.gz WSVVXECRHMYUHE-BFHYXJOUSA-N 1 0 219.328 2.498 10 0 BEAERO C[C@@]([NH3+])(Cc1ccc(F)cc1)c1ncccn1 ZINC000725255054 538050058 /nfs/dbraw/zinc/05/00/58/538050058.db2.gz PTXLJPJRNRLIGE-CYBMUJFWSA-N 1 0 231.274 2.032 10 0 BEAERO Cc1nc(N)sc1SCC1CC[NH2+]CC1 ZINC000043498270 180001129 /nfs/dbraw/zinc/00/11/29/180001129.db2.gz SONMIIYXGQCBBG-UHFFFAOYSA-N 1 0 243.401 2.125 10 0 BEAERO Cc1nc(N2CCCCC2)sc1[C@H](C)[NH3+] ZINC000040543792 180001344 /nfs/dbraw/zinc/00/13/44/180001344.db2.gz UODSFEHHQUMWGQ-QMMMGPOBSA-N 1 0 225.361 2.462 10 0 BEAERO Cc1nc(N2CCC[C@H]2C)sc1[C@@H](C)[NH3+] ZINC000054863886 180002789 /nfs/dbraw/zinc/00/27/89/180002789.db2.gz RPPYKNSWXWGTFL-HTQZYQBOSA-N 1 0 225.361 2.460 10 0 BEAERO Cc1nc(NCCC(C)C)sc1CC[NH3+] ZINC000057517730 180017977 /nfs/dbraw/zinc/01/79/77/180017977.db2.gz KWYCCTJBKPPDBQ-UHFFFAOYSA-N 1 0 227.377 2.411 10 0 BEAERO Cc1nc(NC[C@@H]2CCC[NH2+]C2)cc(C(C)C)n1 ZINC000045954979 180019293 /nfs/dbraw/zinc/01/92/93/180019293.db2.gz ROGXNYHCQHNZNV-GFCCVEGCSA-N 1 0 248.374 2.320 10 0 BEAERO Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000335577376 180025616 /nfs/dbraw/zinc/02/56/16/180025616.db2.gz DGCNQAUFIXHJHS-ZJUUUORDSA-N 1 0 225.361 2.442 10 0 BEAERO Cc1nc([C@@H]2C[NH2+]CC23CCCCC3)no1 ZINC000328579435 180044969 /nfs/dbraw/zinc/04/49/69/180044969.db2.gz IGSXBLBJGXREID-JTQLQIEISA-N 1 0 221.304 2.015 10 0 BEAERO Cc1nc([C@H](C)N[C@@H]2C[N@H+](C)C[C@@H]2C)cs1 ZINC000336731346 180050458 /nfs/dbraw/zinc/05/04/58/180050458.db2.gz FFYBSETZPDNCPO-ATZCPNFKSA-N 1 0 239.388 2.052 10 0 BEAERO Cc1nc([C@H]2CCCO2)sc1[C@@H](C)[NH3+] ZINC000082420716 180057839 /nfs/dbraw/zinc/05/78/39/180057839.db2.gz NEMSDFLEDKFITB-HTRCEHHLSA-N 1 0 212.318 2.323 10 0 BEAERO C[C@@H](N[C@@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000422731685 192445764 /nfs/dbraw/zinc/44/57/64/192445764.db2.gz OAGSXVRVOOXANM-BDAKNGLRSA-N 1 0 240.297 2.223 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)s1 ZINC000132583233 191034238 /nfs/dbraw/zinc/03/42/38/191034238.db2.gz MZBGJMFXKIVBCB-ZUZCIYMTSA-N 1 0 245.413 2.303 10 0 BEAERO Fc1ccc(F)c(COC[C@@H]2CCC[NH2+]C2)c1 ZINC000051815596 350136599 /nfs/dbraw/zinc/13/65/99/350136599.db2.gz VZNNWXJEYCVALO-SNVBAGLBSA-N 1 0 241.281 2.481 10 0 BEAERO Cc1nc2ccccc2nc1NC(C)(C)C[NH3+] ZINC000063020949 180106058 /nfs/dbraw/zinc/10/60/58/180106058.db2.gz NMXZLMIKOSFSGW-UHFFFAOYSA-N 1 0 230.315 2.087 10 0 BEAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000083021537 538062272 /nfs/dbraw/zinc/06/22/72/538062272.db2.gz MUPRBTBUCCHHTQ-XNCJUZBTSA-N 1 0 205.710 2.030 10 0 BEAERO CC1CCC(C[NH2+]CCC[S@@](C)=O)CC1 ZINC000133131086 191037484 /nfs/dbraw/zinc/03/74/84/191037484.db2.gz DYJHBVNFIWDXQO-QOZQQMKHSA-N 1 0 231.405 2.171 10 0 BEAERO Cc1nc2cccc(Cl)n2c1[C@@H](C)[NH3+] ZINC000074375099 180099385 /nfs/dbraw/zinc/09/93/85/180099385.db2.gz SDIAKFFUTYFGLY-ZCFIWIBFSA-N 1 0 209.680 2.316 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000133712722 191042322 /nfs/dbraw/zinc/04/23/22/191042322.db2.gz KWOOUBUCLFJTFL-VXGBXAGGSA-N 1 0 207.317 2.417 10 0 BEAERO COC[C@H]([NH2+]CCCCSC)C1CC1 ZINC000133742534 191042982 /nfs/dbraw/zinc/04/29/82/191042982.db2.gz OUAIINWYEYIEPO-NSHDSACASA-N 1 0 217.378 2.144 10 0 BEAERO Cc1nc2ccccc2n1CCC[NH+](C)C ZINC000040389596 180102755 /nfs/dbraw/zinc/10/27/55/180102755.db2.gz TZSKMPLKJRSIRC-UHFFFAOYSA-N 1 0 217.316 2.296 10 0 BEAERO Cc1nc2ccccc2n1CC[C@@H](C)[NH3+] ZINC000020429236 180103756 /nfs/dbraw/zinc/10/37/56/180103756.db2.gz SUVMBHNUVOXXFS-SECBINFHSA-N 1 0 203.289 2.082 10 0 BEAERO Cc1nc2ccccc2n1CC[C@H](C)[NH3+] ZINC000020429237 180104423 /nfs/dbraw/zinc/10/44/23/180104423.db2.gz SUVMBHNUVOXXFS-VIFPVBQESA-N 1 0 203.289 2.082 10 0 BEAERO Cc1nc[nH]c1C[NH2+]CC1CCCCC1 ZINC000035776089 180122313 /nfs/dbraw/zinc/12/23/13/180122313.db2.gz AZQVKSPYTOHCGG-UHFFFAOYSA-N 1 0 207.321 2.388 10 0 BEAERO Cc1noc(CC[NH2+]Cc2cc(C)ccc2C)n1 ZINC000105470482 191067211 /nfs/dbraw/zinc/06/72/11/191067211.db2.gz JGMXXTVZSWQIAK-UHFFFAOYSA-N 1 0 245.326 2.327 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c(C)n1 ZINC000120456942 180174404 /nfs/dbraw/zinc/17/44/04/180174404.db2.gz RUYQTIZAUDVDSE-QOSJWCAFSA-N 1 0 205.305 2.152 10 0 BEAERO Cc1ncc(CNC2=[NH+]CCCS2)s1 ZINC000049534269 180150756 /nfs/dbraw/zinc/15/07/56/180150756.db2.gz GEUSHOHLGGNYIM-UHFFFAOYSA-N 1 0 227.358 2.034 10 0 BEAERO Cc1nccc(C[NH2+][C@H](C)C2CCCC2)n1 ZINC000054080883 180191490 /nfs/dbraw/zinc/19/14/90/180191490.db2.gz KALXMGNYLQFWFM-SNVBAGLBSA-N 1 0 219.332 2.453 10 0 BEAERO CCC[C@H]1CCCC[C@@H]1[NH2+]CCN(C)C ZINC000309237492 350215881 /nfs/dbraw/zinc/21/58/81/350215881.db2.gz XTQGMOUBYATGCW-STQMWFEESA-N 1 0 212.381 2.497 10 0 BEAERO Cc1ncccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128062492 180226288 /nfs/dbraw/zinc/22/62/88/180226288.db2.gz WWMSYRVMYFQVHR-CHWSQXEVSA-N 1 0 231.343 2.429 10 0 BEAERO Cc1cccc(-c2cc(C[NH3+])nc(C)n2)c1 ZINC000074141476 350238625 /nfs/dbraw/zinc/23/86/25/350238625.db2.gz HVFPRDPQBDCFEZ-UHFFFAOYSA-N 1 0 213.284 2.219 10 0 BEAERO Cc1nccn1CC[NH2+]CCc1ccc(F)cc1 ZINC000049329741 180260662 /nfs/dbraw/zinc/26/06/62/180260662.db2.gz RFNLCDMRRAIYJO-UHFFFAOYSA-N 1 0 247.317 2.163 10 0 BEAERO CCCC[C@H](CC)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000336642749 350275959 /nfs/dbraw/zinc/27/59/59/350275959.db2.gz ABAINXZLJVSANI-SDDRHHMPSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCF ZINC000151438274 180269988 /nfs/dbraw/zinc/26/99/88/180269988.db2.gz HFEQVGXIKGATBZ-GFCCVEGCSA-N 1 0 225.311 2.016 10 0 BEAERO Cc1nccn1[C@@H](c1cccs1)[C@H](C)[NH3+] ZINC000043107027 180271000 /nfs/dbraw/zinc/27/10/00/180271000.db2.gz UNPLLYGCDHEOGU-GZMMTYOYSA-N 1 0 221.329 2.190 10 0 BEAERO Cc1nccn1[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043046118 180271082 /nfs/dbraw/zinc/27/10/82/180271082.db2.gz UMBZKDATENRKFE-NOZJJQNGSA-N 1 0 233.290 2.267 10 0 BEAERO CC(C)[C@H]1CCc2nc(C[NH3+])sc2C1 ZINC000054556829 350279601 /nfs/dbraw/zinc/27/96/01/350279601.db2.gz SYRMYHVNVPXVPH-QMMMGPOBSA-N 1 0 210.346 2.363 10 0 BEAERO Cc1ncn([C@@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC000051926451 180289745 /nfs/dbraw/zinc/28/97/45/180289745.db2.gz LDMPNTXERQRTJD-ZIAGYGMSSA-N 1 0 227.311 2.297 10 0 BEAERO Cc1ncn([C@@H](C[NH3+])c2cccc(F)c2)c1C ZINC000051925875 180289823 /nfs/dbraw/zinc/28/98/23/180289823.db2.gz NBCVFBSPEZXJLZ-ZDUSSCGKSA-N 1 0 233.290 2.187 10 0 BEAERO Cc1ncn([C@H]2COc3ccccc3[C@@H]2[NH3+])c1C ZINC000051926484 180290098 /nfs/dbraw/zinc/29/00/98/180290098.db2.gz OWPDHQGHSRHIOS-JSGCOSHPSA-N 1 0 243.310 2.133 10 0 BEAERO Cc1nccnc1OCCC[C@@H]1CCCC[NH2+]1 ZINC000095069470 180280565 /nfs/dbraw/zinc/28/05/65/180280565.db2.gz NPXMNJMKQRPCGC-LBPRGKRZSA-N 1 0 235.331 2.086 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]C1CC(C)C1 ZINC000219195423 180282278 /nfs/dbraw/zinc/28/22/78/180282278.db2.gz BTRBHMBDGVLRJG-JZQLECPJSA-N 1 0 205.305 2.234 10 0 BEAERO CC[C@@H]1CCC[N@@H+]1Cc1csc(N)n1 ZINC000037913926 350290807 /nfs/dbraw/zinc/29/08/07/350290807.db2.gz UWHGYTBGFHWCOB-SECBINFHSA-N 1 0 211.334 2.100 10 0 BEAERO Cc1ncn(CC[NH2+]C2CCCCC2)c1C ZINC000053536000 180287038 /nfs/dbraw/zinc/28/70/38/180287038.db2.gz VCNUFARYTLKXGT-UHFFFAOYSA-N 1 0 221.348 2.422 10 0 BEAERO CCC(C)(C)NC(=O)N[C@@]1(CC)CCC[NH2+]C1 ZINC000725264232 538090744 /nfs/dbraw/zinc/09/07/44/538090744.db2.gz QGORRLIDPBFYHY-ZDUSSCGKSA-N 1 0 241.379 2.006 10 0 BEAERO COC(=O)c1csc(C[NH+]2CCCC2)c1 ZINC000039341917 350338595 /nfs/dbraw/zinc/33/85/95/350338595.db2.gz PQVBUAGPYDYKFZ-UHFFFAOYSA-N 1 0 225.313 2.131 10 0 BEAERO F[C@H]([C@H]1CCC[NH2+]C1)C(F)(F)Br ZINC000225684359 350370173 /nfs/dbraw/zinc/37/01/73/350370173.db2.gz XWVOTDKBUJQUMX-NTSWFWBYSA-N 1 0 246.070 2.312 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000037215349 180326202 /nfs/dbraw/zinc/32/62/02/180326202.db2.gz VHRDKMBPVSLZQN-SCZZXKLOSA-N 1 0 226.345 2.281 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000037215352 180327171 /nfs/dbraw/zinc/32/71/71/180327171.db2.gz VHRDKMBPVSLZQN-WCBMZHEXSA-N 1 0 226.345 2.281 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000037201951 180327249 /nfs/dbraw/zinc/32/72/49/180327249.db2.gz AVOQENHVEMWRIY-KPPDAEKUSA-N 1 0 240.372 2.406 10 0 BEAERO Cc1ncsc1[C@H](C)NC[C@H]1CC[N@H+](C)C1 ZINC000037484865 180327485 /nfs/dbraw/zinc/32/74/85/180327485.db2.gz WITRMZNSDGBMJC-GXSJLCMTSA-N 1 0 239.388 2.054 10 0 BEAERO Cc1ncsc1CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235620559 180319011 /nfs/dbraw/zinc/31/90/11/180319011.db2.gz SFDYCMUUPNBXLS-GXSJLCMTSA-N 1 0 239.388 2.011 10 0 BEAERO CC(C)(C)OC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC000725265174 538091267 /nfs/dbraw/zinc/09/12/67/538091267.db2.gz LQIIZGIXEOHLFC-UHFFFAOYSA-N 1 0 249.310 2.124 10 0 BEAERO C[N@@H+]1CCC[C@@H]1CNc1cccc(Cl)n1 ZINC000226138246 350401905 /nfs/dbraw/zinc/40/19/05/350401905.db2.gz LXOWWMRPEFOBHE-SECBINFHSA-N 1 0 225.723 2.241 10 0 BEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000045172924 180347486 /nfs/dbraw/zinc/34/74/86/180347486.db2.gz URKWWFQWIJTTDW-LDYMZIIASA-N 1 0 221.348 2.486 10 0 BEAERO c1ncc(C[N@@H+]2CCC[C@@H]2C2CCC2)cn1 ZINC000127242993 490542136 /nfs/dbraw/zinc/54/21/36/490542136.db2.gz QOCZLBBPMTZDNY-CYBMUJFWSA-N 1 0 217.316 2.241 10 0 BEAERO CC(C)(C)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000041120223 350415933 /nfs/dbraw/zinc/41/59/33/350415933.db2.gz HPPJHVDOIDWYHW-LLVKDONJSA-N 1 0 235.327 2.462 10 0 BEAERO Cc1c(N)cncc1C1=CC[C@@]2(C[C@@H]2[NH3+])CC1 ZINC000725265117 538092606 /nfs/dbraw/zinc/09/26/06/538092606.db2.gz GXTHDMZKUGOETO-KBPBESRZSA-N 1 0 229.327 2.257 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616592585 350467683 /nfs/dbraw/zinc/46/76/83/350467683.db2.gz CNXGBGBXGKJQIH-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO COc1ccccc1[C@H]1CC[N@H+](C)CCO1 ZINC000616592671 350469354 /nfs/dbraw/zinc/46/93/54/350469354.db2.gz FNXQNSRBYMFMFP-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cncnc1 ZINC000127772980 490558220 /nfs/dbraw/zinc/55/82/20/490558220.db2.gz QPTGELZUHGPEKY-WDEREUQCSA-N 1 0 205.305 2.097 10 0 BEAERO CCc1noc([C@H]2C[NH2+]CC23CCCCC3)n1 ZINC000409422383 350473958 /nfs/dbraw/zinc/47/39/58/350473958.db2.gz DGTSBGYJZSGIKC-SNVBAGLBSA-N 1 0 235.331 2.269 10 0 BEAERO C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000409424852 350475642 /nfs/dbraw/zinc/47/56/42/350475642.db2.gz YWJVYHINTULTFB-JSGCOSHPSA-N 1 0 219.328 2.074 10 0 BEAERO Fc1ccc(-c2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000725266028 538093879 /nfs/dbraw/zinc/09/38/79/538093879.db2.gz GLIYXSJPMMCMKO-LBPRGKRZSA-N 1 0 246.289 2.009 10 0 BEAERO [NH3+]Cc1cnc(-c2cccnc2)c(Cl)c1 ZINC000409436572 350479884 /nfs/dbraw/zinc/47/98/84/350479884.db2.gz JTQJLAWSFBABGC-UHFFFAOYSA-N 1 0 219.675 2.256 10 0 BEAERO CC[C@H]1CCc2[nH]nc(C3=CC[NH2+]CC3)c2C1 ZINC000725265631 538093203 /nfs/dbraw/zinc/09/32/03/538093203.db2.gz QOEOJWYOAJRJSC-JTQLQIEISA-N 1 0 231.343 2.301 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000227905587 350518656 /nfs/dbraw/zinc/51/86/56/350518656.db2.gz XZZSYWNGDUTXIM-STQMWFEESA-N 1 0 231.380 2.140 10 0 BEAERO Cc1nn(CC2CC[NH2+]CC2)c(C)c1Cl ZINC000050586802 180386237 /nfs/dbraw/zinc/38/62/37/180386237.db2.gz JFBQZYLOTJPVDB-UHFFFAOYSA-N 1 0 227.739 2.153 10 0 BEAERO Cc1nn(C[C@H]([NH3+])C(C)(C)C)c(C)c1C ZINC000040729692 180390262 /nfs/dbraw/zinc/39/02/62/180390262.db2.gz DFGCPFQQNOQYFU-NSHDSACASA-N 1 0 209.337 2.182 10 0 BEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCCF ZINC000163177020 350505150 /nfs/dbraw/zinc/50/51/50/350505150.db2.gz SROBOSDYRGOIHC-RWMBFGLXSA-N 1 0 229.339 2.362 10 0 BEAERO CCc1csc(N2CCCC[C@H]2C[NH3+])n1 ZINC000061894866 350533446 /nfs/dbraw/zinc/53/34/46/350533446.db2.gz FVWISJLUOGYJEZ-JTQLQIEISA-N 1 0 225.361 2.023 10 0 BEAERO CC1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000063144487 350573732 /nfs/dbraw/zinc/57/37/32/350573732.db2.gz QRYRCUUJZGGOEF-WXRRBKDZSA-N 1 0 211.349 2.439 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2ccccc2N)CC1 ZINC000616593404 350580328 /nfs/dbraw/zinc/58/03/28/350580328.db2.gz JWGFAMXJCDSNIG-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C)C[C@@H](C2CC2)C[C@@H]1[NH3+] ZINC000725266659 538096623 /nfs/dbraw/zinc/09/66/23/538096623.db2.gz SBOOSJQMAIPIBT-COPLHBTASA-N 1 0 239.359 2.482 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616595476 350608044 /nfs/dbraw/zinc/60/80/44/350608044.db2.gz WCEYMBSNCCJEQU-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(=O)Nc1ccccc1[C@@H]1CC[N@H+](C)CCO1 ZINC000616595861 350611394 /nfs/dbraw/zinc/61/13/94/350611394.db2.gz ZJKQIKIXTUXNIU-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2COCCC[N@H+]2C)cc1 ZINC000616597136 350640608 /nfs/dbraw/zinc/64/06/08/350640608.db2.gz NQOIBTCOYJQFCT-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO COCC[NH2+]CC[C@H](CO)C1CCCCCC1 ZINC000725267136 538097749 /nfs/dbraw/zinc/09/77/49/538097749.db2.gz RLTSEPIXPSVKLJ-CQSZACIVSA-N 1 0 243.391 2.191 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@@H](C)c1cc(F)cc(F)c1 ZINC000725266979 538097761 /nfs/dbraw/zinc/09/77/61/538097761.db2.gz OOCBSCWJFFUUPK-ZJUUUORDSA-N 1 0 243.297 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cnoc1 ZINC000616596623 350633270 /nfs/dbraw/zinc/63/32/70/350633270.db2.gz FGFBROHZAFRHPQ-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccc(CO)cc1 ZINC000616597874 350653134 /nfs/dbraw/zinc/65/31/34/350653134.db2.gz LWSRFQAQQVJMMS-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1cccc(N)c1 ZINC000616597742 350653333 /nfs/dbraw/zinc/65/33/33/350653333.db2.gz JQTWHBGRJPAGKT-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccccc1N ZINC000616598312 350660051 /nfs/dbraw/zinc/66/00/51/350660051.db2.gz KFZVHOUMXVGQGD-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO CCC[NH2+][C@H]1CCCc2c(O)c(O)ccc2C1 ZINC000201295609 350666263 /nfs/dbraw/zinc/66/62/63/350666263.db2.gz PGXJHBACGVMLOC-NSHDSACASA-N 1 0 235.327 2.345 10 0 BEAERO COc1c[nH+]c(C)cc1NCC(F)F ZINC000234936366 350707193 /nfs/dbraw/zinc/70/71/93/350707193.db2.gz BKXUQNALWHTXEE-UHFFFAOYSA-N 1 0 202.204 2.076 10 0 BEAERO CCC(CC)[NH2+]CC[C@@H](CO)[C@@H]1CCCOC1 ZINC000725267536 538099269 /nfs/dbraw/zinc/09/92/69/538099269.db2.gz NZFNPZZSDGJEIK-QWHCGFSZSA-N 1 0 243.391 2.190 10 0 BEAERO CC(C)([NH3+])Cc1ccncc1Br ZINC000216570759 350777713 /nfs/dbraw/zinc/77/77/13/350777713.db2.gz AYVMTOHBNNBACN-UHFFFAOYSA-N 1 0 229.121 2.124 10 0 BEAERO CCN1CC[NH2+][C@@H](c2cncc3ccccc32)C1 ZINC000616600786 350780193 /nfs/dbraw/zinc/78/01/93/350780193.db2.gz MADLUWMLKTYRKF-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cccnn2)CC1 ZINC000616600586 350780216 /nfs/dbraw/zinc/78/02/16/350780216.db2.gz GWRYJOYVTWWIIU-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ncccn2)CC1 ZINC000616601047 350781243 /nfs/dbraw/zinc/78/12/43/350781243.db2.gz IPQQJNNPCCZFDV-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccnnc2)CC1 ZINC000616601843 350787433 /nfs/dbraw/zinc/78/74/33/350787433.db2.gz NQGHAYYHQGAPIB-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO c1ccc2nnc([C@H]3CCCC[NH2+]C3)cc2c1 ZINC000616602702 350788194 /nfs/dbraw/zinc/78/81/94/350788194.db2.gz NWMLOYARLXDAEA-LBPRGKRZSA-N 1 0 227.311 2.487 10 0 BEAERO OCCc1cccc([C@@H]2CCC[NH2+]CC2)c1 ZINC000616603750 350790070 /nfs/dbraw/zinc/79/00/70/350790070.db2.gz VXACFTAZCTYEJP-CYBMUJFWSA-N 1 0 219.328 2.079 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2cncnc2)C1 ZINC000616602171 350790786 /nfs/dbraw/zinc/79/07/86/350790786.db2.gz HLHNTMIBMNVYJF-NSHDSACASA-N 1 0 205.305 2.066 10 0 BEAERO CCN1CC[NH2+][C@H](c2cccc3ncccc32)C1 ZINC000616602605 350791538 /nfs/dbraw/zinc/79/15/38/350791538.db2.gz LTIKGWPBAGFHQK-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CNc1ccc([C@H]2CCCC[N@H+](CCN)C2)cc1 ZINC000616604871 350793174 /nfs/dbraw/zinc/79/31/74/350793174.db2.gz RPAQSQWVYNPLET-AWEZNQCLSA-N 1 0 247.386 2.257 10 0 BEAERO c1cc2ccc([C@@H]3CCCC[NH2+]C3)cc2nn1 ZINC000616604429 350793214 /nfs/dbraw/zinc/79/32/14/350793214.db2.gz CSSWCUHTHJFBQD-CYBMUJFWSA-N 1 0 227.311 2.487 10 0 BEAERO c1cc2ccnnc2c([C@@H]2CCCC[NH2+]C2)c1 ZINC000616604565 350793313 /nfs/dbraw/zinc/79/33/13/350793313.db2.gz FYMBWFWMSCFVHV-GFCCVEGCSA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](n2ccnc2)C1 ZINC000616604478 350793318 /nfs/dbraw/zinc/79/33/18/350793318.db2.gz PTSZQAKSUQZHQM-LBPRGKRZSA-N 1 0 207.321 2.319 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2cccc(CO)c2)C1 ZINC000616605685 350795015 /nfs/dbraw/zinc/79/50/15/350795015.db2.gz UNYGVDIKWCGRGJ-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1cccc2cccnc21 ZINC000616608218 350796640 /nfs/dbraw/zinc/79/66/40/350796640.db2.gz PGFSSKCLGWRVET-AWEZNQCLSA-N 1 0 242.322 2.364 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1c1cccc(CCO)c1 ZINC000616606460 350797324 /nfs/dbraw/zinc/79/73/24/350797324.db2.gz IEXVJJCIBMHZGP-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO CC(=O)Nc1ccc([C@H]2CCC[N@H+]2C)cc1 ZINC000616607656 350802412 /nfs/dbraw/zinc/80/24/12/350802412.db2.gz WVSQKPDBGQLYOQ-CYBMUJFWSA-N 1 0 218.300 2.412 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1ccc2ncccc2c1 ZINC000616608291 350804514 /nfs/dbraw/zinc/80/45/14/350804514.db2.gz REVVAOMOOAPYOL-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H]1c1ccnc(N)c1 ZINC000616608641 350805686 /nfs/dbraw/zinc/80/56/86/350805686.db2.gz YYQMECFVRJXKIC-NSHDSACASA-N 1 0 205.305 2.039 10 0 BEAERO CC(=O)Nc1ccccc1[C@H]1CC[N@@H+](C)C1 ZINC000616610299 350808644 /nfs/dbraw/zinc/80/86/44/350808644.db2.gz MYDKUZIZPJONGG-NSHDSACASA-N 1 0 218.300 2.064 10 0 BEAERO c1onnc1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000616611659 350810209 /nfs/dbraw/zinc/81/02/09/350810209.db2.gz ITMGLEGZWACRAW-GFCCVEGCSA-N 1 0 229.283 2.059 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccnc(N)c2)C1 ZINC000616614616 350836169 /nfs/dbraw/zinc/83/61/69/350836169.db2.gz SBZNKJXDWDRPEN-LLVKDONJSA-N 1 0 219.332 2.082 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1c[nH]nn1 ZINC000616614844 350840431 /nfs/dbraw/zinc/84/04/31/350840431.db2.gz WVJZQRXMRUCQCM-SNVBAGLBSA-N 1 0 208.309 2.130 10 0 BEAERO CNc1ccccc1[C@H]1CCCCN1CC[NH3+] ZINC000616615194 350845346 /nfs/dbraw/zinc/84/53/46/350845346.db2.gz SFBGPLUJBGGXGF-CQSZACIVSA-N 1 0 233.359 2.214 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1c[nH]nc1N ZINC000616615212 350845448 /nfs/dbraw/zinc/84/54/48/350845448.db2.gz GLPQVSDCVPLWEO-JTQLQIEISA-N 1 0 222.336 2.148 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccc3nnccc3c2)C1 ZINC000616617213 350863443 /nfs/dbraw/zinc/86/34/43/350863443.db2.gz JSBXPPDFKNYXLT-ZDUSSCGKSA-N 1 0 227.311 2.439 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616614139 350827130 /nfs/dbraw/zinc/82/71/30/350827130.db2.gz FASRUBBMZDKINN-CQSZACIVSA-N 1 0 242.322 2.016 10 0 BEAERO CSC1([C@H]2[NH2+]C[C@H](C)S2)CCC1 ZINC000306727420 350898640 /nfs/dbraw/zinc/89/86/40/350898640.db2.gz AUJWGUWYJXNTLI-YUMQZZPRSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H]1CCC[N@H+](CC[C@H]2CCCC2=O)C1 ZINC000252172505 350909156 /nfs/dbraw/zinc/90/91/56/350909156.db2.gz OGCYEQLZIMHSBO-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO C[C@@H]1CCCN(C/C(Cl)=C/Cl)[C@H]1C[NH3+] ZINC000252644719 350913696 /nfs/dbraw/zinc/91/36/96/350913696.db2.gz PDHPLQNXZLBOBN-VDARXQCZSA-N 1 0 237.174 2.365 10 0 BEAERO CC[C@@H]1SCCS[C@H]1C(=[NH2+])NC1CC1 ZINC000252717797 350914982 /nfs/dbraw/zinc/91/49/82/350914982.db2.gz CGRNNDRWYCPJDG-DTWKUNHWSA-N 1 0 230.402 2.343 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](OC(F)(F)F)C1 ZINC000616618515 350918016 /nfs/dbraw/zinc/91/80/16/350918016.db2.gz YEDNTIQBUUIQSN-QMMMGPOBSA-N 1 0 211.227 2.396 10 0 BEAERO C[NH+]1CCC(c2ccc3nnccc3c2)CC1 ZINC000616619371 350926911 /nfs/dbraw/zinc/92/69/11/350926911.db2.gz LNDQDYJBRJVIPA-UHFFFAOYSA-N 1 0 227.311 2.439 10 0 BEAERO CC[NH+]1CCC(c2ccc(CCO)cc2)CC1 ZINC000616619733 350928635 /nfs/dbraw/zinc/92/86/35/350928635.db2.gz XOABUBNJLMHIJM-UHFFFAOYSA-N 1 0 233.355 2.421 10 0 BEAERO Brc1ncccc1[C@H]1CCC[NH2+]1 ZINC000003732498 350870773 /nfs/dbraw/zinc/87/07/73/350870773.db2.gz SNCRTOHSYUOHKO-MRVPVSSYSA-N 1 0 227.105 2.269 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccccc2C(N)=O)C1 ZINC000616617740 350872547 /nfs/dbraw/zinc/87/25/47/350872547.db2.gz ICQNVSNPKVHALT-LBPRGKRZSA-N 1 0 246.354 2.373 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616617731 350873360 /nfs/dbraw/zinc/87/33/60/350873360.db2.gz HNKVMWISZSTDLQ-AWEZNQCLSA-N 1 0 246.354 2.373 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000616618201 350884213 /nfs/dbraw/zinc/88/42/13/350884213.db2.gz RRHQOHZSFLUIDZ-NSHDSACASA-N 1 0 219.332 2.455 10 0 BEAERO C[NH2+][C@@H]1COc2c1cc(Cl)cc2F ZINC000306721324 350888442 /nfs/dbraw/zinc/88/84/42/350888442.db2.gz DPMFSTXKESTUDQ-MRVPVSSYSA-N 1 0 201.628 2.132 10 0 BEAERO CNC(=[NH2+])N[C@@H](C)c1ccccc1Cl ZINC000052035968 350890133 /nfs/dbraw/zinc/89/01/33/350890133.db2.gz RIDDVHCLBPMWLK-ZETCQYMHSA-N 1 0 211.696 2.145 10 0 BEAERO CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1 ZINC000052035822 350890446 /nfs/dbraw/zinc/89/04/46/350890446.db2.gz PGXBZFATCBCADX-ZETCQYMHSA-N 1 0 211.696 2.145 10 0 BEAERO CC(C)NC(=[NH2+])N[C@H](C)c1cccs1 ZINC000052041933 350895419 /nfs/dbraw/zinc/89/54/19/350895419.db2.gz HOANXDHESQVJIC-MRVPVSSYSA-N 1 0 211.334 2.331 10 0 BEAERO CCNC(=[NH2+])Nc1ccc(F)c(Cl)c1 ZINC000052041495 350895983 /nfs/dbraw/zinc/89/59/83/350895983.db2.gz IKAXJDKANOOTHP-UHFFFAOYSA-N 1 0 215.659 2.435 10 0 BEAERO CCNC(=[NH2+])N[C@H](C)c1ccc(C)s1 ZINC000052044820 350895987 /nfs/dbraw/zinc/89/59/87/350895987.db2.gz NWBUDXBSHIXTEG-MRVPVSSYSA-N 1 0 211.334 2.251 10 0 BEAERO Cc1occc1CN(C)c1cc[nH+]cc1N ZINC000042449398 180541275 /nfs/dbraw/zinc/54/12/75/180541275.db2.gz GXGMWZZUEKCDRL-UHFFFAOYSA-N 1 0 217.272 2.202 10 0 BEAERO Cc1occc1CN(C)c1cc(N)cc[nH+]1 ZINC000043569082 180542186 /nfs/dbraw/zinc/54/21/86/180542186.db2.gz SJEAXHBVGFRUBH-UHFFFAOYSA-N 1 0 217.272 2.202 10 0 BEAERO Cc1cccc([C@H](O)[C@H](C)C[NH3+])c1Cl ZINC000129180029 351002947 /nfs/dbraw/zinc/00/29/47/351002947.db2.gz ZCMGQOSIGKZGLP-LDYMZIIASA-N 1 0 213.708 2.277 10 0 BEAERO C[N@@H+]1CCCCC[C@H]1c1ccc(N)nc1 ZINC000616620961 350948565 /nfs/dbraw/zinc/94/85/65/350948565.db2.gz INUUQJVBXMEVTB-NSHDSACASA-N 1 0 205.305 2.041 10 0 BEAERO C[C@@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)[C@H]1C ZINC000306776273 351018125 /nfs/dbraw/zinc/01/81/25/351018125.db2.gz YKGHUIUGRADSIL-MDZLAQPJSA-N 1 0 231.343 2.345 10 0 BEAERO Cc1cc(C)c(NC(N)=[NH2+])c(Br)c1 ZINC000159940309 351066077 /nfs/dbraw/zinc/06/60/77/351066077.db2.gz NHEAGBFICRXDQM-UHFFFAOYSA-N 1 0 242.120 2.371 10 0 BEAERO CCc1ccccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510940 351067139 /nfs/dbraw/zinc/06/71/39/351067139.db2.gz KINQKLGNLXRHQI-AWEZNQCLSA-N 1 0 232.327 2.330 10 0 BEAERO C[NH2+][C@H](c1cncs1)c1cocc1C ZINC000306808742 351060650 /nfs/dbraw/zinc/06/06/50/351060650.db2.gz PYQXZXLHVYFOLS-JTQLQIEISA-N 1 0 208.286 2.353 10 0 BEAERO [NH3+]Cc1cnc(OCc2ccccc2)s1 ZINC000306809335 351061966 /nfs/dbraw/zinc/06/19/66/351061966.db2.gz RQTGEYRLBUZWRW-UHFFFAOYSA-N 1 0 220.297 2.181 10 0 BEAERO F[C@@H](Cc1cncs1)[C@H]1CCC[NH2+]C1 ZINC000159842120 351013131 /nfs/dbraw/zinc/01/31/31/351013131.db2.gz XVIUUQPWDSORLO-WPRPVWTQSA-N 1 0 214.309 2.023 10 0 BEAERO OCCc1ccc([C@H]2CCC[NH2+]CC2)cc1 ZINC000616630161 351101471 /nfs/dbraw/zinc/10/14/71/351101471.db2.gz SFQOMWGLUHUCOD-ZDUSSCGKSA-N 1 0 219.328 2.079 10 0 BEAERO CNc1ccc([C@@H]2CCCC[N@H+](CCN)C2)cc1 ZINC000616630633 351103900 /nfs/dbraw/zinc/10/39/00/351103900.db2.gz RPAQSQWVYNPLET-CQSZACIVSA-N 1 0 247.386 2.257 10 0 BEAERO CNc1ccccc1[C@H]1C[N@@H+](C(C)C)CCN1 ZINC000616631650 351106114 /nfs/dbraw/zinc/10/61/14/351106114.db2.gz ATERPYJNFIQVFA-CQSZACIVSA-N 1 0 233.359 2.083 10 0 BEAERO COc1ccccc1[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC000616631810 351108526 /nfs/dbraw/zinc/10/85/26/351108526.db2.gz DWBUXIFTGTWMMI-CYBMUJFWSA-N 1 0 248.370 2.440 10 0 BEAERO CC[N@@H+]1CCN[C@H](c2ccc3ccncc3c2)C1 ZINC000616632039 351110278 /nfs/dbraw/zinc/11/02/78/351110278.db2.gz FGUCAQNPZHQPDO-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1nccc2ccccc21 ZINC000616633663 351115956 /nfs/dbraw/zinc/11/59/56/351115956.db2.gz RBKUONCKLXQNBN-AWEZNQCLSA-N 1 0 242.322 2.364 10 0 BEAERO CC1CCC(N(C)C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079516993 351070401 /nfs/dbraw/zinc/07/04/01/351070401.db2.gz CTHXVELADAFJMU-YIZWMMSDSA-N 1 0 238.375 2.166 10 0 BEAERO CCCC[N@H+](CC)CC(=O)NC(C)(C)CC ZINC000052889763 351075515 /nfs/dbraw/zinc/07/55/15/351075515.db2.gz QJBKVTKIOJXTRC-UHFFFAOYSA-N 1 0 228.380 2.413 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@H]1c1cc(N)n[nH]1 ZINC000616622430 351086033 /nfs/dbraw/zinc/08/60/33/351086033.db2.gz YDVQPYMSVAHYRY-NSHDSACASA-N 1 0 222.336 2.148 10 0 BEAERO [NH3+]CCN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000616627547 351095968 /nfs/dbraw/zinc/09/59/68/351095968.db2.gz HEIQHFLIIDXIQV-LBPRGKRZSA-N 1 0 236.334 2.354 10 0 BEAERO c1ccc2nnc([C@H]3CCC[NH2+]CC3)cc2c1 ZINC000616627937 351096572 /nfs/dbraw/zinc/09/65/72/351096572.db2.gz FIXSRKLOCBPRPT-NSHDSACASA-N 1 0 227.311 2.487 10 0 BEAERO O=C(c1ccc(Cl)cc1F)[C@H]1CC[NH2+]C1 ZINC000226331840 351125438 /nfs/dbraw/zinc/12/54/38/351125438.db2.gz PORTVAGRLKSULI-ZETCQYMHSA-N 1 0 227.666 2.271 10 0 BEAERO [NH3+]CCN1CCC[C@H](c2cccc(F)c2)CC1 ZINC000616628556 351098405 /nfs/dbraw/zinc/09/84/05/351098405.db2.gz MXJJOUGIGPBMJG-LBPRGKRZSA-N 1 0 236.334 2.354 10 0 BEAERO CNc1cccc([C@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616628569 351098662 /nfs/dbraw/zinc/09/86/62/351098662.db2.gz OZWLJGVSNZZVHB-AWEZNQCLSA-N 1 0 247.386 2.257 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccc(N)cc1 ZINC000616642193 351153406 /nfs/dbraw/zinc/15/34/06/351153406.db2.gz ZETYTEJKTWVJDI-ZDUSSCGKSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccncc1 ZINC000616644730 351161971 /nfs/dbraw/zinc/16/19/71/351161971.db2.gz DAOOKDDOGQKZLT-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1ccno1 ZINC000616645200 351166868 /nfs/dbraw/zinc/16/68/68/351166868.db2.gz IMLSKYOQQHXPHS-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cccnc1N ZINC000616645983 351169258 /nfs/dbraw/zinc/16/92/58/351169258.db2.gz MOJMDRCITFBMLF-GFCCVEGCSA-N 1 0 249.358 2.226 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccccc1CO ZINC000616646574 351171362 /nfs/dbraw/zinc/17/13/62/351171362.db2.gz QYVZFKWMFPOCHW-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccc(N)nc2)C1 ZINC000616650348 351176178 /nfs/dbraw/zinc/17/61/78/351176178.db2.gz YGUQCTBVHMDAOO-LBPRGKRZSA-N 1 0 249.358 2.056 10 0 BEAERO C[N@@H+]1CCCO[C@H](c2cccc3ccnnc32)C1 ZINC000616648772 351177041 /nfs/dbraw/zinc/17/70/41/351177041.db2.gz BNVNJJHPYCHIGU-ZDUSSCGKSA-N 1 0 243.310 2.023 10 0 BEAERO CC[N@@H+]1CCCO[C@H](c2cccc(N)c2)C1 ZINC000616648799 351177244 /nfs/dbraw/zinc/17/72/44/351177244.db2.gz CMIOJNTVBKOPFE-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](OC(F)(F)F)C1 ZINC000616648780 351177304 /nfs/dbraw/zinc/17/73/04/351177304.db2.gz BVJOJQZDDGLLTK-MRVPVSSYSA-N 1 0 241.253 2.370 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](C(F)(F)F)C1 ZINC000616653481 351194032 /nfs/dbraw/zinc/19/40/32/351194032.db2.gz QEHURPBPKXYHPH-MRVPVSSYSA-N 1 0 211.227 2.048 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ncco2)C1 ZINC000616649478 351178641 /nfs/dbraw/zinc/17/86/41/351178641.db2.gz KNQSNRORGIIWMJ-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO c1cnc2cc([C@H]3C[NH2+]CCCO3)ccc2c1 ZINC000616651163 351181817 /nfs/dbraw/zinc/18/18/17/351181817.db2.gz KJUZERFVCLGRSK-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO c1ccc2c(c1)cncc2[C@H]1C[NH2+]CCCO1 ZINC000616651354 351181835 /nfs/dbraw/zinc/18/18/35/351181835.db2.gz MLVUISQDBIBSNG-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCCO[C@H](c2cccc(F)c2)C1 ZINC000616650824 351185355 /nfs/dbraw/zinc/18/53/55/351185355.db2.gz HFFMYKLVHPSKCV-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccnnc2)C1 ZINC000616652653 351186120 /nfs/dbraw/zinc/18/61/20/351186120.db2.gz IFWKXWODKRINKM-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO c1cc2ccncc2c([C@@H]2C[NH2+]CCCO2)c1 ZINC000616652656 351186471 /nfs/dbraw/zinc/18/64/71/351186471.db2.gz MYTAQSORPXPITG-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CNc1ccc([C@@H]2C[N@H+](C)CCCO2)cc1 ZINC000616653032 351186810 /nfs/dbraw/zinc/18/68/10/351186810.db2.gz WYMRAYJRUWHNEC-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO C[N@@H+]1CCCO[C@@H](c2cnnc3ccccc32)C1 ZINC000616653007 351187030 /nfs/dbraw/zinc/18/70/30/351187030.db2.gz RNAHKWHSEFNXSV-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+](C)C1 ZINC000616651978 351190144 /nfs/dbraw/zinc/19/01/44/351190144.db2.gz CFQKCZREOAQUPJ-LLVKDONJSA-N 1 0 242.363 2.338 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccc2ccncc2c1 ZINC000616636746 351128073 /nfs/dbraw/zinc/12/80/73/351128073.db2.gz BWZKTUKJTQNZSO-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc(CCO)c1 ZINC000616636993 351131263 /nfs/dbraw/zinc/13/12/63/351131263.db2.gz IXPCMAMXOMCAMQ-OAHLLOKOSA-N 1 0 249.354 2.003 10 0 BEAERO CN1CCOC[C@@H]1c1cc2ccccc2cn1 ZINC000616637059 351131544 /nfs/dbraw/zinc/13/15/44/351131544.db2.gz KBXZSERACAFSMN-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2ccccc2N)C1 ZINC000616654828 351191235 /nfs/dbraw/zinc/19/12/35/351191235.db2.gz NWSMVEONUZYCAH-LLVKDONJSA-N 1 0 204.317 2.468 10 0 BEAERO c1ccc2c(c1)cncc2[C@@H]1C[NH2+]CCCO1 ZINC000616652409 351191281 /nfs/dbraw/zinc/19/12/81/351191281.db2.gz MLVUISQDBIBSNG-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO C[C@H]1C[C@H]1Nc1cc(N)[nH+]cc1Br ZINC000306829642 351139191 /nfs/dbraw/zinc/13/91/91/351139191.db2.gz KFKAGVNAMAAVID-CAHLUQPWSA-N 1 0 242.120 2.247 10 0 BEAERO C[C@@H]1C[C@@H]1Nc1cc(N)[nH+]cc1Br ZINC000306829645 351139202 /nfs/dbraw/zinc/13/92/02/351139202.db2.gz KFKAGVNAMAAVID-VDTYLAMSSA-N 1 0 242.120 2.247 10 0 BEAERO Nc1c[nH+]ccc1NCCC(F)(F)F ZINC000063099299 351140546 /nfs/dbraw/zinc/14/05/46/351140546.db2.gz ZHPLEFVVVGTWLN-UHFFFAOYSA-N 1 0 205.183 2.028 10 0 BEAERO CC(=O)N1c2ccccc2CC[C@H]1c1ncc[nH]1 ZINC000616669310 351228925 /nfs/dbraw/zinc/22/89/25/351228925.db2.gz GEYVDCRRPGKKPV-ZDUSSCGKSA-N 1 0 241.294 2.450 10 0 BEAERO CN1CCO[C@@H](c2cnc3ccccc3c2)C1 ZINC000616677664 351244564 /nfs/dbraw/zinc/24/45/64/351244564.db2.gz OEPBGDVWFWLXDN-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1cccc(N)n1 ZINC000616678748 351249300 /nfs/dbraw/zinc/24/93/00/351249300.db2.gz FUMFPNKGMMWFQC-HNNXBMFYSA-N 1 0 239.322 2.241 10 0 BEAERO CCN1CCc2ccccc2[C@H]1c1ncc[nH]1 ZINC000616679229 351250288 /nfs/dbraw/zinc/25/02/88/351250288.db2.gz MMLUURGVLJCTGD-ZDUSSCGKSA-N 1 0 227.311 2.377 10 0 BEAERO OCc1ccccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000616679534 351250559 /nfs/dbraw/zinc/25/05/59/351250559.db2.gz CHZKLIDINMFLRI-INIZCTEOSA-N 1 0 239.318 2.414 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2ccccc2N)CC1 ZINC000616686409 351256990 /nfs/dbraw/zinc/25/69/90/351256990.db2.gz JWGFAMXJCDSNIG-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO C[N@@H+]1CCO[C@H](c2cnnc3ccccc32)CC1 ZINC000616687422 351258538 /nfs/dbraw/zinc/25/85/38/351258538.db2.gz YCIAFPVLYJDWDX-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccc(N)cc2)C1 ZINC000616658209 351196461 /nfs/dbraw/zinc/19/64/61/351196461.db2.gz CBUZPLYCZSYNEC-CYBMUJFWSA-N 1 0 248.370 2.483 10 0 BEAERO CC(=O)Nc1cccc([C@@H]2CCOCC[N@H+]2C)c1 ZINC000616656910 351197100 /nfs/dbraw/zinc/19/71/00/351197100.db2.gz JTPMODGTXLWPIS-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO CC(=O)Nc1cccc([C@H]2CCOCC[N@H+]2C)c1 ZINC000616655652 351200634 /nfs/dbraw/zinc/20/06/34/351200634.db2.gz JTPMODGTXLWPIS-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H](c2ccccc2CO)C1 ZINC000616658081 351200851 /nfs/dbraw/zinc/20/08/51/351200851.db2.gz BGCFWFJYBCVJLJ-CQSZACIVSA-N 1 0 249.354 2.003 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cccnn1 ZINC000616656432 351202627 /nfs/dbraw/zinc/20/26/27/351202627.db2.gz VJOUEWFCNYLRDG-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2cccc(NC)c2)C1 ZINC000616658453 351204239 /nfs/dbraw/zinc/20/42/39/351204239.db2.gz FQZBJTPFPUGIHW-CYBMUJFWSA-N 1 0 234.343 2.164 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccccc2N)C1 ZINC000616661631 351211025 /nfs/dbraw/zinc/21/10/25/351211025.db2.gz VJPXYWHGJYYNCJ-LBPRGKRZSA-N 1 0 234.343 2.093 10 0 BEAERO c1ccc2c(c1)ccnc2[C@@H]1CCOCC[NH2+]1 ZINC000616661258 351213829 /nfs/dbraw/zinc/21/38/29/351213829.db2.gz YHCOYOLTGWHQAS-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO c1cnc2c(c1)cccc2[C@@H]1CC[NH2+]CCO1 ZINC000616663437 351215693 /nfs/dbraw/zinc/21/56/93/351215693.db2.gz IPEWMIPHJVGLHO-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000616666253 351225849 /nfs/dbraw/zinc/22/58/49/351225849.db2.gz LSAKEWATFRZHDZ-MRVPVSSYSA-N 1 0 207.264 2.141 10 0 BEAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1cccc(CC2CCC2)c1 ZINC000725268224 538100139 /nfs/dbraw/zinc/10/01/39/538100139.db2.gz PXVMCDZZNAUMHM-HZPDHXFCSA-N 1 0 244.382 2.433 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@H]1C(F)F ZINC000616668662 351227444 /nfs/dbraw/zinc/22/74/44/351227444.db2.gz CCMPDUWJGYJCTF-NSHDSACASA-N 1 0 226.270 2.032 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1ncco1 ZINC000616669187 351228108 /nfs/dbraw/zinc/22/81/08/351228108.db2.gz PZZSEQKGOQZLOQ-CYBMUJFWSA-N 1 0 243.310 2.127 10 0 BEAERO CC(C)[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616668775 351228249 /nfs/dbraw/zinc/22/82/49/351228249.db2.gz FSPSRYOMSCHYLG-ZDUSSCGKSA-N 1 0 218.344 2.423 10 0 BEAERO CCOC(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC000616669282 351228541 /nfs/dbraw/zinc/22/85/41/351228541.db2.gz FRTVUEIGRBRVSG-LLVKDONJSA-N 1 0 248.326 2.171 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](C)Nc1ccc(Cl)cn1 ZINC000306883106 351287187 /nfs/dbraw/zinc/28/71/87/351287187.db2.gz OLWWPAFHILSXKG-VXNVDRBHSA-N 1 0 213.712 2.273 10 0 BEAERO C[NH2+][C@H](c1ccsn1)[C@]1(C)C[C@H]1F ZINC000306917433 351328447 /nfs/dbraw/zinc/32/84/47/351328447.db2.gz YANMADMMCCSBLG-IWSPIJDZSA-N 1 0 200.282 2.152 10 0 BEAERO F[C@H](c1ccns1)[C@H]1CCCC[NH2+]1 ZINC000306875929 351270607 /nfs/dbraw/zinc/27/06/07/351270607.db2.gz BBMHWTMAUCVARZ-APPZFPTMSA-N 1 0 200.282 2.296 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@]2(C)C[C@@H]2F)cs1 ZINC000306879710 351271387 /nfs/dbraw/zinc/27/13/87/351271387.db2.gz FCRNBTASBNUTDY-XHNCKOQMSA-N 1 0 200.282 2.199 10 0 BEAERO N[C@@H](CC[NH3+])c1c(F)ccc(Cl)c1Cl ZINC000306878494 351271796 /nfs/dbraw/zinc/27/17/96/351271796.db2.gz DBHONYIMUJSQBQ-ZETCQYMHSA-N 1 0 237.105 2.481 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000168293985 351368367 /nfs/dbraw/zinc/36/83/67/351368367.db2.gz JYDSJHXENCLIGB-JTQLQIEISA-N 1 0 245.681 2.432 10 0 BEAERO Cc1ncc([C@@H]2CCC[C@H](C[NH3+])O2)s1 ZINC000306950714 351378578 /nfs/dbraw/zinc/37/85/78/351378578.db2.gz ZXHKDUZWILRMJG-BDAKNGLRSA-N 1 0 212.318 2.020 10 0 BEAERO Cc1ccc(Br)cc1C1=[NH+]CCN1 ZINC000306988361 351405609 /nfs/dbraw/zinc/40/56/09/351405609.db2.gz AERQXSUKKJEDJP-UHFFFAOYSA-N 1 0 239.116 2.107 10 0 BEAERO CC1(Cc2ccc(Br)o2)C[NH2+]C1 ZINC000306989086 351405814 /nfs/dbraw/zinc/40/58/14/351405814.db2.gz HCBAHTFQMODADI-UHFFFAOYSA-N 1 0 230.105 2.194 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1CCC2(CC2)C1 ZINC000306973002 351394936 /nfs/dbraw/zinc/39/49/36/351394936.db2.gz VBAXBEHHMXDBJE-UHFFFAOYSA-N 1 0 229.327 2.197 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1cccc(Br)c1F ZINC000306980323 351397358 /nfs/dbraw/zinc/39/73/58/351397358.db2.gz PLMUUYFXMUXFNC-POYBYMJQSA-N 1 0 230.080 2.403 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1cccc2cccnc21 ZINC000069050760 351348166 /nfs/dbraw/zinc/34/81/66/351348166.db2.gz IGBQNBGCCZEVRX-WCQYABFASA-N 1 0 216.284 2.006 10 0 BEAERO CCC[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000034936819 351351158 /nfs/dbraw/zinc/35/11/58/351351158.db2.gz BUTQKKMHSZGXKN-NEPJUHHUSA-N 1 0 226.364 2.166 10 0 BEAERO C[NH2+][C@H](C1=CCCO1)[C@H]1CCCCS1 ZINC000168246381 351352366 /nfs/dbraw/zinc/35/23/66/351352366.db2.gz UPACIEAOYXDUSL-GHMZBOCLSA-N 1 0 213.346 2.164 10 0 BEAERO CCCCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC ZINC000034938619 351352911 /nfs/dbraw/zinc/35/29/11/351352911.db2.gz XNODQAJUALPQLM-QWRGUYRKSA-N 1 0 214.353 2.069 10 0 BEAERO CN1c2ccc([C@H]([NH3+])C(C)(C)C)cc2CC1=O ZINC000034940673 351356821 /nfs/dbraw/zinc/35/68/21/351356821.db2.gz JGIHHFRNNOIGLQ-ZDUSSCGKSA-N 1 0 232.327 2.251 10 0 BEAERO Cn1cc([C@H]([NH3+])c2cccc(Cl)c2)cn1 ZINC000034957676 351362713 /nfs/dbraw/zinc/36/27/13/351362713.db2.gz NBALQFDCQRRWCN-LLVKDONJSA-N 1 0 221.691 2.122 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1sccc1Cl ZINC000307031069 351432548 /nfs/dbraw/zinc/43/25/48/351432548.db2.gz OSHLGIFDKKFQDF-RQJHMYQMSA-N 1 0 203.694 2.190 10 0 BEAERO Cc1nc([C@@H]([NH3+])C[C@@H]2CCCO2)cs1 ZINC000307052601 351451466 /nfs/dbraw/zinc/45/14/66/351451466.db2.gz USUCDDNHARBGRA-IUCAKERBSA-N 1 0 212.318 2.020 10 0 BEAERO Cc1nc(C(=O)C[C@H]2CC[C@H]([NH3+])C2)cs1 ZINC000307054638 351455361 /nfs/dbraw/zinc/45/53/61/351455361.db2.gz XSQMEHPUUJBTLA-IUCAKERBSA-N 1 0 224.329 2.152 10 0 BEAERO C=CC[C@@H](C[NH3+])Cc1ccccc1OC ZINC000386705099 363030669 /nfs/dbraw/zinc/03/06/69/363030669.db2.gz WGPWCAGCYFZHTD-LLVKDONJSA-N 1 0 205.301 2.389 10 0 BEAERO Cc1cc(C(=O)[C@H]2CCC[C@H]([NH3+])C2)sn1 ZINC000307065131 351462624 /nfs/dbraw/zinc/46/26/24/351462624.db2.gz RAWTUENEUPNRAX-IUCAKERBSA-N 1 0 224.329 2.152 10 0 BEAERO Clc1cccc([C@@H]2C[NH2+]CCOC2)c1 ZINC000071518396 180591646 /nfs/dbraw/zinc/59/16/46/180591646.db2.gz PYHPYRPAVOTUTM-SNVBAGLBSA-N 1 0 211.692 2.043 10 0 BEAERO CCSc1ncc(Br)cc1C[NH3+] ZINC000307009499 351416599 /nfs/dbraw/zinc/41/65/99/351416599.db2.gz ILCSYTSPLABZBX-UHFFFAOYSA-N 1 0 247.161 2.415 10 0 BEAERO C[C@H]1CC2(C[C@H](C)O1)[NH2+]C(C)(C)CS2 ZINC000133638740 351425268 /nfs/dbraw/zinc/42/52/68/351425268.db2.gz HVKVQKXTHSMSGQ-IUCAKERBSA-N 1 0 215.362 2.385 10 0 BEAERO Cc1cc(CC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cs1 ZINC000307133007 351496909 /nfs/dbraw/zinc/49/69/09/351496909.db2.gz WLLQRXNRDAWSMG-MNOVXSKESA-N 1 0 221.325 2.072 10 0 BEAERO C[C@@H]1Oc2c(c(F)ccc2Cl)[C@H]1[NH3+] ZINC000307100170 351479299 /nfs/dbraw/zinc/47/92/99/351479299.db2.gz GPVIRXNKQQVPFN-NVNXEXLPSA-N 1 0 201.628 2.260 10 0 BEAERO C[C@@H]([NH3+])c1cc2c(cc1Br)OCC2 ZINC000307111877 351485004 /nfs/dbraw/zinc/48/50/04/351485004.db2.gz OENXZGJMLMGVQE-ZCFIWIBFSA-N 1 0 242.116 2.404 10 0 BEAERO C/C(=C\Cl)CN1C[C@@H](C)[NH2+]CC1(C)C ZINC000232012606 351529629 /nfs/dbraw/zinc/52/96/29/351529629.db2.gz LZYIKVQPFJZASH-NAZIUFLLSA-N 1 0 216.756 2.201 10 0 BEAERO Cc1cc(NCC[NH3+])c(F)cc1Br ZINC000307169290 351543266 /nfs/dbraw/zinc/54/32/66/351543266.db2.gz XSTYCXWLPBZXEY-UHFFFAOYSA-N 1 0 247.111 2.267 10 0 BEAERO C[C@@](F)(c1cscn1)[C@@H]1CCC[NH2+]1 ZINC000307186717 351586979 /nfs/dbraw/zinc/58/69/79/351586979.db2.gz VALBSHFVKRJRPO-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO Cc1cnc(C(C)(C)[NH3+])c(Br)c1 ZINC000307197429 351597790 /nfs/dbraw/zinc/59/77/90/351597790.db2.gz RQBWNYVCJPCBFJ-UHFFFAOYSA-N 1 0 229.121 2.346 10 0 BEAERO O=C(NCc1ccccc1)[C@@H]1CCCCCC[NH2+]1 ZINC000307206636 351609074 /nfs/dbraw/zinc/60/90/74/351609074.db2.gz LJNDEUQVXVXXHQ-AWEZNQCLSA-N 1 0 246.354 2.225 10 0 BEAERO [NH3+]C[C@H]1COc2c1ccc(Cl)c2Cl ZINC000606303991 351559712 /nfs/dbraw/zinc/55/97/12/351559712.db2.gz KXKATMRQCXEKLL-YFKPBYRVSA-N 1 0 218.083 2.428 10 0 BEAERO [NH3+][C@H](c1cnsc1)C1CC(F)(F)C1 ZINC000404625678 351629040 /nfs/dbraw/zinc/62/90/40/351629040.db2.gz RAOQKHPCBSFVOL-ZETCQYMHSA-N 1 0 204.245 2.188 10 0 BEAERO CC(C)CC[NH2+]CC1CC(n2ccnc2)C1 ZINC000725269282 538101246 /nfs/dbraw/zinc/10/12/46/538101246.db2.gz OEMLANCULNOGPQ-UHFFFAOYSA-N 1 0 221.348 2.470 10 0 BEAERO CC[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637906068 351779151 /nfs/dbraw/zinc/77/91/51/351779151.db2.gz XLFRKEAICKVHNG-KBPBESRZSA-N 1 0 244.338 2.301 10 0 BEAERO CC[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637906070 351779336 /nfs/dbraw/zinc/77/93/36/351779336.db2.gz XLFRKEAICKVHNG-UONOGXRCSA-N 1 0 244.338 2.301 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000637917301 351792086 /nfs/dbraw/zinc/79/20/86/351792086.db2.gz INEZSNGVEHOVAN-OLZOCXBDSA-N 1 0 248.370 2.479 10 0 BEAERO Cc1nsc([C@]2([NH3+])CCCC[C@@H]2C)n1 ZINC000307252613 351771177 /nfs/dbraw/zinc/77/11/77/351771177.db2.gz SPJZSPVPSGKDNQ-XVKPBYJWSA-N 1 0 211.334 2.211 10 0 BEAERO CC(C)(C)c1cccc([C@@H]2CC[NH2+]C[C@H]2N)c1 ZINC000725269197 538101310 /nfs/dbraw/zinc/10/13/10/538101310.db2.gz FSSDMTMAEKQYBO-UONOGXRCSA-N 1 0 232.371 2.388 10 0 BEAERO Cn1cc(C[NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000057353183 180649766 /nfs/dbraw/zinc/64/97/66/180649766.db2.gz HZCDTVKNDDKYFS-CYBMUJFWSA-N 1 0 244.338 2.447 10 0 BEAERO CC(C)n1nnnc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000170872509 535167592 /nfs/dbraw/zinc/16/75/92/535167592.db2.gz UOBIHOBQPZRFCX-LBPRGKRZSA-N 1 0 249.362 2.019 10 0 BEAERO Cn1cc(C[C@H]([NH3+])C2(c3ccccc3)CC2)cn1 ZINC000062781031 180654654 /nfs/dbraw/zinc/65/46/54/180654654.db2.gz PNFRWCIAJCGYMV-AWEZNQCLSA-N 1 0 241.338 2.022 10 0 BEAERO Cn1cc(SCc2cccc(C[NH3+])c2)cn1 ZINC000042406471 180663596 /nfs/dbraw/zinc/66/35/96/180663596.db2.gz JOMSBUDUKWSOQH-UHFFFAOYSA-N 1 0 233.340 2.171 10 0 BEAERO c1snnc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000037067675 358467564 /nfs/dbraw/zinc/46/75/64/358467564.db2.gz ZSPSXNYYDDBHEB-UHFFFAOYSA-N 1 0 249.383 2.452 10 0 BEAERO [NH3+]CCCc1ccccc1OC(F)(F)F ZINC000043559367 187605519 /nfs/dbraw/zinc/60/55/19/187605519.db2.gz WVRLJPBSCNAEPF-UHFFFAOYSA-N 1 0 219.206 2.477 10 0 BEAERO CC[C@@H]1C[NH+]=C(N[C@@H]2CS[C@@H](C)C2)S1 ZINC000307347511 352102308 /nfs/dbraw/zinc/10/23/08/352102308.db2.gz QEJFBPQYGHRVFJ-XHNCKOQMSA-N 1 0 230.402 2.351 10 0 BEAERO CC(C)(C)c1ccnc([C@@H]2CCC[NH2+]2)n1 ZINC000070951602 187596723 /nfs/dbraw/zinc/59/67/23/187596723.db2.gz NFADZQOZLPKUHQ-VIFPVBQESA-N 1 0 205.305 2.199 10 0 BEAERO CC(C)[C@@H]([NH3+])c1nccc(C(F)(F)F)n1 ZINC000070948169 187597143 /nfs/dbraw/zinc/59/71/43/187597143.db2.gz UBXQIJLYGHTBOC-SSDOTTSWSA-N 1 0 219.210 2.151 10 0 BEAERO C1=C[C@H]2C[C@@H]1C[C@@H]2[NH2+]C[C@@H]1CCCS1 ZINC000307348173 352112552 /nfs/dbraw/zinc/11/25/52/352112552.db2.gz QWWBFEGNWURSHF-RHYQMDGZSA-N 1 0 209.358 2.436 10 0 BEAERO [NH3+]CCCc1cnn(-c2cccc(Cl)c2)c1 ZINC000054679895 187611107 /nfs/dbraw/zinc/61/11/07/187611107.db2.gz FYZAECGQWJGGSZ-UHFFFAOYSA-N 1 0 235.718 2.417 10 0 BEAERO Cc1nnc([C@@H](C)C[NH3+])n1C1CCCCC1 ZINC000054335033 187611411 /nfs/dbraw/zinc/61/14/11/187611411.db2.gz YPKRFSSVIHKKAE-VIFPVBQESA-N 1 0 222.336 2.154 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152089 358468605 /nfs/dbraw/zinc/46/86/05/358468605.db2.gz BRCZCBFVMLURHN-QKEWWQLBSA-N 1 0 226.364 2.055 10 0 BEAERO COc1ccc([C@@H](C)N2CC[NH2+]C[C@H]2C)cc1 ZINC000083361298 187623652 /nfs/dbraw/zinc/62/36/52/187623652.db2.gz WZAUQYDZUUTNLV-VXGBXAGGSA-N 1 0 234.343 2.050 10 0 BEAERO CC1(C)[C@H]([NH2+]C2CC(F)(F)C2)[C@H]2CCO[C@@H]21 ZINC000309418813 187653963 /nfs/dbraw/zinc/65/39/63/187653963.db2.gz JORHBYPAMPLLNM-BBBLOLIVSA-N 1 0 231.286 2.187 10 0 BEAERO C[C@@H](CC(N)=S)[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000224700790 363178858 /nfs/dbraw/zinc/17/88/58/363178858.db2.gz AXZRQEOVCMXCDW-UTLUCORTSA-N 1 0 214.378 2.172 10 0 BEAERO [NH3+]Cc1ccccc1OCc1ccco1 ZINC000020075983 187660347 /nfs/dbraw/zinc/66/03/47/187660347.db2.gz BIQOJVIQKWKZIN-UHFFFAOYSA-N 1 0 203.241 2.317 10 0 BEAERO CC(C)C(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725270894 538102557 /nfs/dbraw/zinc/10/25/57/538102557.db2.gz GNDLASAGSZFEPF-LLVKDONJSA-N 1 0 218.300 2.227 10 0 BEAERO CC(C)([NH3+])CCNc1ccc(Cl)nc1 ZINC000307357596 352330051 /nfs/dbraw/zinc/33/00/51/352330051.db2.gz CVKQKRCRJTTZCT-UHFFFAOYSA-N 1 0 213.712 2.274 10 0 BEAERO C[NH2+]CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000725270701 538102761 /nfs/dbraw/zinc/10/27/61/538102761.db2.gz RESHCERPCSJCBN-QWRGUYRKSA-N 1 0 242.363 2.289 10 0 BEAERO CC[N@@H+]1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000389481521 352364499 /nfs/dbraw/zinc/36/44/99/352364499.db2.gz XMLQBEIRZHLOHX-QMMMGPOBSA-N 1 0 241.316 2.162 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])[C@H]1CCCC(C)(C)C1 ZINC000725271900 538103320 /nfs/dbraw/zinc/10/33/20/538103320.db2.gz DSENLHVQWIPYFR-WDEREUQCSA-N 1 0 227.348 2.483 10 0 BEAERO Brc1csnc1[C@@H]1CCC[NH2+]1 ZINC000404781354 352430913 /nfs/dbraw/zinc/43/09/13/352430913.db2.gz CKASUWDAQRXIDJ-LURJTMIESA-N 1 0 233.134 2.330 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[C@H]1CC=CCC1 ZINC000638601478 352436657 /nfs/dbraw/zinc/43/66/57/352436657.db2.gz QJTJKWYHVGUFGW-STQMWFEESA-N 1 0 238.375 2.222 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@H]1CCCC(C)(C)C1 ZINC000725271899 538103436 /nfs/dbraw/zinc/10/34/36/538103436.db2.gz DSENLHVQWIPYFR-QWRGUYRKSA-N 1 0 227.348 2.483 10 0 BEAERO CC(C)([NH3+])CCNc1cccnc1Cl ZINC000307366071 352450196 /nfs/dbraw/zinc/45/01/96/352450196.db2.gz MSBBHMLJQQWIAC-UHFFFAOYSA-N 1 0 213.712 2.274 10 0 BEAERO CC(C)[C@H]1C[C@@H](N(C(C)C)C(C)C)C[NH2+]1 ZINC000725272366 538104174 /nfs/dbraw/zinc/10/41/74/538104174.db2.gz MDDNWZRIYFOHEM-CHWSQXEVSA-N 1 0 212.381 2.492 10 0 BEAERO CCCCCCOC[C@@H](O)C[NH2+][C@H](C)C1CC1 ZINC000037889494 168672032 /nfs/dbraw/zinc/67/20/32/168672032.db2.gz AYLRWVRSMPJOSX-OCCSQVGLSA-N 1 0 243.391 2.332 10 0 BEAERO FCCNC1=[NH+]C2(CS1)CCCCC2 ZINC000307433015 352595355 /nfs/dbraw/zinc/59/53/55/352595355.db2.gz NMWVVHFXYBQWOD-UHFFFAOYSA-N 1 0 216.325 2.351 10 0 BEAERO C/C(=C\c1coc(Br)c1)C[NH3+] ZINC000307444808 352601303 /nfs/dbraw/zinc/60/13/03/352601303.db2.gz OSJBGOZUWZSCBF-QHHAFSJGSA-N 1 0 216.078 2.404 10 0 BEAERO Cc1ccoc1C[N@@H+](C)[C@H]1CCC(=O)C1 ZINC000307450653 352602258 /nfs/dbraw/zinc/60/22/58/352602258.db2.gz OZCRUGNAYXOFRA-JTQLQIEISA-N 1 0 207.273 2.141 10 0 BEAERO C[C@@]1([NH2+]Cc2ccccc2)CCC[C@]1(C)O ZINC000307455775 352608893 /nfs/dbraw/zinc/60/88/93/352608893.db2.gz DSRCGOPPZHHEDQ-KGLIPLIRSA-N 1 0 219.328 2.470 10 0 BEAERO Cc1nc([C@@]2(F)CC[C@@H]([NH3+])C2)cs1 ZINC000307465021 352615531 /nfs/dbraw/zinc/61/55/31/352615531.db2.gz CUJMYUYJECOQNW-VXNVDRBHSA-N 1 0 200.282 2.128 10 0 BEAERO [NH3+]Cc1cc(F)cc(F)c1OC(F)F ZINC000307467675 352616717 /nfs/dbraw/zinc/61/67/17/352616717.db2.gz PUIPHIDGSBZKAP-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO Cc1cc([C@H](C)N2CC[NH2+]CC2)cs1 ZINC000307399408 352572071 /nfs/dbraw/zinc/57/20/71/352572071.db2.gz WLZQDOJXRLSFBU-JTQLQIEISA-N 1 0 210.346 2.023 10 0 BEAERO C[C@@H]1C[C@H](c2cnn(Cc3ccccc3)c2)C[NH2+]1 ZINC000307551848 352648231 /nfs/dbraw/zinc/64/82/31/352648231.db2.gz TYOILWPHSWGMJJ-OCCSQVGLSA-N 1 0 241.338 2.397 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000307568558 352657439 /nfs/dbraw/zinc/65/74/39/352657439.db2.gz WBNSVMJUJSKOFN-YPMHNXCESA-N 1 0 233.311 2.118 10 0 BEAERO C[C@@H]1CC(Cc2cncs2)=C[C@H]([NH3+])C1 ZINC000307572819 352658493 /nfs/dbraw/zinc/65/84/93/352658493.db2.gz FEKQRAAWJLZGAS-PSASIEDQSA-N 1 0 208.330 2.369 10 0 BEAERO CN(C)[C@@H](C[NH3+])c1cccc(Cl)c1F ZINC000229239995 352664991 /nfs/dbraw/zinc/66/49/91/352664991.db2.gz HODLUOJBEIFNCY-VIFPVBQESA-N 1 0 216.687 2.041 10 0 BEAERO [NH3+][C@H]1CC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000307500706 352627836 /nfs/dbraw/zinc/62/78/36/352627836.db2.gz UKCWTHJPAWLRJC-NTSWFWBYSA-N 1 0 217.725 2.088 10 0 BEAERO CSC[C@@H]([NH3+])c1cc(F)c(F)cc1F ZINC000307526787 352634766 /nfs/dbraw/zinc/63/47/66/352634766.db2.gz IVZUOPJCKOMNST-SECBINFHSA-N 1 0 221.247 2.467 10 0 BEAERO Cc1ccnc([C@]2(C[NH3+])CCCS2)c1 ZINC000307521542 352635775 /nfs/dbraw/zinc/63/57/75/352635775.db2.gz VWXFHVNGKRYGPC-LLVKDONJSA-N 1 0 208.330 2.071 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC2(CC2)CC1 ZINC000638755464 352688963 /nfs/dbraw/zinc/68/89/63/352688963.db2.gz AWWZWZGAGDMNDR-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CSC[C@@]12[NH2+]C(C)(C)CS2 ZINC000307621304 352691392 /nfs/dbraw/zinc/69/13/92/352691392.db2.gz BVLVBJUWQANWJX-APPZFPTMSA-N 1 0 203.376 2.181 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000638758334 352693209 /nfs/dbraw/zinc/69/32/09/352693209.db2.gz ZCQPULUIYJTQGA-ZWNOBZJWSA-N 1 0 248.326 2.027 10 0 BEAERO CC[C@](C)(C(C)=O)[N@@H+]1CCSC[C@@H]1C ZINC000307618586 352675918 /nfs/dbraw/zinc/67/59/18/352675918.db2.gz ZCKKCZGAIKRQTM-GXSJLCMTSA-N 1 0 215.362 2.181 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](c2ccc(Br)o2)O1 ZINC000307638903 352725286 /nfs/dbraw/zinc/72/52/86/352725286.db2.gz YYECUGSGFYKJKZ-RNFRBKRXSA-N 1 0 246.104 2.221 10 0 BEAERO COc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)cc1C ZINC000032014639 352735502 /nfs/dbraw/zinc/73/55/02/352735502.db2.gz WCFVKVQRMONDAW-CHWSQXEVSA-N 1 0 223.316 2.020 10 0 BEAERO COc1ccc([C@H](O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000032014646 352735520 /nfs/dbraw/zinc/73/55/20/352735520.db2.gz ZDPDXFMSJLMHEC-STQMWFEESA-N 1 0 223.316 2.102 10 0 BEAERO CC(C)[C@](O)(C[NH3+])c1ccc(Cl)cc1 ZINC000032012880 352735697 /nfs/dbraw/zinc/73/56/97/352735697.db2.gz CIWKGSQOTQWXTM-LLVKDONJSA-N 1 0 213.708 2.142 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055086721 1172154526 /nfs/dbraw/zinc/15/45/26/1172154526.db2.gz SRCNJESZHHOJRY-NWDGAFQWSA-N 1 0 226.364 2.153 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC12CC2 ZINC000638796713 352900681 /nfs/dbraw/zinc/90/06/81/352900681.db2.gz VUGBOSTVWHMKNY-NWDGAFQWSA-N 1 0 238.375 2.056 10 0 BEAERO CCCN(CCC)c1nc2c(s1)C[NH2+]CC2 ZINC000086662854 323941250 /nfs/dbraw/zinc/94/12/50/323941250.db2.gz QIGUDIZVDLIMLD-UHFFFAOYSA-N 1 0 239.388 2.415 10 0 BEAERO CCCCCN(C)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055146839 168684687 /nfs/dbraw/zinc/68/46/87/168684687.db2.gz UCFZCTSGAGAAMK-QWHCGFSZSA-N 1 0 240.391 2.400 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000319011029 538106129 /nfs/dbraw/zinc/10/61/29/538106129.db2.gz PJESMXHPGHOUCU-DTWKUNHWSA-N 1 0 225.254 2.030 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000319011032 538106148 /nfs/dbraw/zinc/10/61/48/538106148.db2.gz PJESMXHPGHOUCU-RKDXNWHRSA-N 1 0 225.254 2.030 10 0 BEAERO CC[C@](C)(NC(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000638858591 353034926 /nfs/dbraw/zinc/03/49/26/353034926.db2.gz UCAXQVGABSGPSO-AAEUAGOBSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)Cc1nnc([C@@H](C[NH3+])Cc2ccco2)o1 ZINC000020222446 187936581 /nfs/dbraw/zinc/93/65/81/187936581.db2.gz HXGDYPAVGWAXFV-SNVBAGLBSA-N 1 0 249.314 2.146 10 0 BEAERO CNC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000306354351 353006613 /nfs/dbraw/zinc/00/66/13/353006613.db2.gz QZNLQOSLUFHTNW-UHFFFAOYSA-N 1 0 238.143 2.299 10 0 BEAERO C[C@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1C[NH3+] ZINC000638889273 353057851 /nfs/dbraw/zinc/05/78/51/353057851.db2.gz ZYKHBAYUDYNVII-AAEUAGOBSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@]1([C@@H]([NH3+])c2nccs2)CCCS1 ZINC000307247459 353063110 /nfs/dbraw/zinc/06/31/10/353063110.db2.gz MSMGXBNPIMDOEQ-IONNQARKSA-N 1 0 214.359 2.429 10 0 BEAERO [NH3+][C@@H]1CC[C@](O)(c2ccsc2Cl)C1 ZINC000307434722 353076859 /nfs/dbraw/zinc/07/68/59/353076859.db2.gz MPHOCWYBYHDAPW-HZGVNTEJSA-N 1 0 217.721 2.100 10 0 BEAERO [NH3+]C[C@H]1CCC2(CCC(F)(F)CC2)O1 ZINC000536950634 323954314 /nfs/dbraw/zinc/95/43/14/323954314.db2.gz QGIUBDUKXMHEQO-MRVPVSSYSA-N 1 0 205.248 2.072 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638865439 353038935 /nfs/dbraw/zinc/03/89/35/353038935.db2.gz HFGGMQHWLHDOGE-NWDGAFQWSA-N 1 0 240.391 2.446 10 0 BEAERO O=C1CC[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)C1 ZINC000306837868 353042190 /nfs/dbraw/zinc/04/21/90/353042190.db2.gz WOPDJHDEEANZJF-SRVKXCTJSA-N 1 0 207.317 2.230 10 0 BEAERO C[C@@](F)(c1cnsc1)[C@@H]1CCC[NH2+]1 ZINC000405106154 353106848 /nfs/dbraw/zinc/10/68/48/353106848.db2.gz XMYZOSRTXKTRQH-DTWKUNHWSA-N 1 0 200.282 2.080 10 0 BEAERO CC(C)([NH3+])C(=O)c1cnc(C(F)(F)F)s1 ZINC000232527816 353106892 /nfs/dbraw/zinc/10/68/92/353106892.db2.gz MUIBOTIOXKWTIU-UHFFFAOYSA-N 1 0 238.234 2.082 10 0 BEAERO C(c1nc2c(s1)CCCC2)[C@H]1CCC[NH2+]1 ZINC000011883918 187993407 /nfs/dbraw/zinc/99/34/07/187993407.db2.gz UWDWIRMMRVOXLH-SECBINFHSA-N 1 0 222.357 2.316 10 0 BEAERO CCCCC[NH+]1CCC(n2cncn2)CC1 ZINC000078775035 168695571 /nfs/dbraw/zinc/69/55/71/168695571.db2.gz XXPFOAYQPMJBAX-UHFFFAOYSA-N 1 0 222.336 2.105 10 0 BEAERO CC(C)[C@H]1CCc2nc(CC[NH3+])sc2C1 ZINC000054556825 188007462 /nfs/dbraw/zinc/00/74/62/188007462.db2.gz SELMYNGSGVACBB-VIFPVBQESA-N 1 0 224.373 2.405 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1cccc(F)c1 ZINC000054929454 188007634 /nfs/dbraw/zinc/00/76/34/188007634.db2.gz OVEBQMUXDGQYTR-NEPJUHHUSA-N 1 0 211.280 2.233 10 0 BEAERO C[C@@H]([NH3+])c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000022220707 188008354 /nfs/dbraw/zinc/00/83/54/188008354.db2.gz XMSJWGSEYUTNLU-SBMIAAHKSA-N 1 0 218.300 2.301 10 0 BEAERO CC(C)N(C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000022215943 188008476 /nfs/dbraw/zinc/00/84/76/188008476.db2.gz PSVPRQHVVCRNTM-GFCCVEGCSA-N 1 0 210.296 2.166 10 0 BEAERO COc1ccc(C[C@H]2CC[NH2+]C2)cc1C ZINC000057938260 188009111 /nfs/dbraw/zinc/00/91/11/188009111.db2.gz WXUVVAJHMDMQQA-GFCCVEGCSA-N 1 0 205.301 2.156 10 0 BEAERO CC(C)Cc1ccc(NC2=[NH+]CCN2)cc1 ZINC000033900927 188012725 /nfs/dbraw/zinc/01/27/25/188012725.db2.gz VKSYBUBFDSVUQC-UHFFFAOYSA-N 1 0 217.316 2.256 10 0 BEAERO CCOc1cncc(/C=C/C[C@@H](C)[NH2+]C)c1 ZINC000034017308 188012822 /nfs/dbraw/zinc/01/28/22/188012822.db2.gz KJZMFQZAEDAMAE-OKPNEXGHSA-N 1 0 220.316 2.492 10 0 BEAERO [NH3+]Cc1ccc(SC2CCOCC2)cc1 ZINC000062055130 188013595 /nfs/dbraw/zinc/01/35/95/188013595.db2.gz SOYGPPNDXUWFJI-UHFFFAOYSA-N 1 0 223.341 2.416 10 0 BEAERO CN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000062569166 188013710 /nfs/dbraw/zinc/01/37/10/188013710.db2.gz CTOBALXPEQYGEO-LBPRGKRZSA-N 1 0 204.317 2.041 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2ccn(C)c2)C[C@H](C)O1 ZINC000282106414 188032099 /nfs/dbraw/zinc/03/20/99/188032099.db2.gz DMGRASQIYPIPAB-RYUDHWBXSA-N 1 0 236.359 2.318 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000050269097 188045898 /nfs/dbraw/zinc/04/58/98/188045898.db2.gz BOEVCUFPFMFZNW-ZIAGYGMSSA-N 1 0 240.391 2.245 10 0 BEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCCSC1 ZINC000061588149 188050294 /nfs/dbraw/zinc/05/02/94/188050294.db2.gz MJZAIMVKMCPHAS-STQMWFEESA-N 1 0 244.448 2.448 10 0 BEAERO C[C@@H]1CC(C[NH2+]C[C@@H]2CCCOC2)C[C@@H](C)O1 ZINC000341490463 188045223 /nfs/dbraw/zinc/04/52/23/188045223.db2.gz SNLZBNIUDIJJGW-UPJWGTAASA-N 1 0 241.375 2.206 10 0 BEAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CC ZINC000034938601 168710104 /nfs/dbraw/zinc/71/01/04/168710104.db2.gz IILZUOQZSKQACI-GHMZBOCLSA-N 1 0 214.353 2.069 10 0 BEAERO C/C(=C\c1ccc(Br)cn1)C[NH3+] ZINC000307920744 353187827 /nfs/dbraw/zinc/18/78/27/353187827.db2.gz CAPZOGHSALQANO-QPJJXVBHSA-N 1 0 227.105 2.206 10 0 BEAERO FC(F)(F)C1CC([NH2+][C@H]2CCSC2)C1 ZINC000306694083 180879312 /nfs/dbraw/zinc/87/93/12/180879312.db2.gz SDBJSXVCGRDWHC-WTIBDHCWSA-N 1 0 225.279 2.422 10 0 BEAERO FC(F)(F)N1CCCC[C@H]1C[NH2+]C1CC1 ZINC000095077013 180886764 /nfs/dbraw/zinc/88/67/64/180886764.db2.gz ZUHXVXODGHNKDT-VIFPVBQESA-N 1 0 222.254 2.113 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1csc(C)c1 ZINC000638999990 353248406 /nfs/dbraw/zinc/24/84/06/353248406.db2.gz PCGJJBVMJPKHIZ-SECBINFHSA-N 1 0 212.318 2.122 10 0 BEAERO C[NH2+][C@H](c1cncs1)C1=COCCC1 ZINC000160137226 353250105 /nfs/dbraw/zinc/25/01/05/353250105.db2.gz SCVNFFPDFDOOGG-JTQLQIEISA-N 1 0 210.302 2.098 10 0 BEAERO CC(C)c1ccc(N2C[C@@H]([NH3+])CCC2=O)cc1 ZINC000084036636 538112961 /nfs/dbraw/zinc/11/29/61/538112961.db2.gz DLKULVSJRVONFP-LBPRGKRZSA-N 1 0 232.327 2.264 10 0 BEAERO C[C@@H]1OCC[C@]1([NH3+])Cc1ccc(Cl)s1 ZINC000127313309 353265909 /nfs/dbraw/zinc/26/59/09/353265909.db2.gz ZQWLFSFASICRGZ-XVKPBYJWSA-N 1 0 231.748 2.450 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000304555654 188250483 /nfs/dbraw/zinc/25/04/83/188250483.db2.gz VCTTVTUUBPDLPU-YNEHKIRRSA-N 1 0 244.448 2.304 10 0 BEAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336662727 188256040 /nfs/dbraw/zinc/25/60/40/188256040.db2.gz KPNTXEXOCGXQSJ-GHMZBOCLSA-N 1 0 226.364 2.068 10 0 BEAERO Cc1cc(C)cc(C[NH2+]CCCn2ccnn2)c1 ZINC000126422763 188258352 /nfs/dbraw/zinc/25/83/52/188258352.db2.gz YCBNNQFZBOQNOV-UHFFFAOYSA-N 1 0 244.342 2.075 10 0 BEAERO CC(C)=CC[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000372996751 188274247 /nfs/dbraw/zinc/27/42/47/188274247.db2.gz LZUYPPLCETZIAK-LBPRGKRZSA-N 1 0 225.332 2.228 10 0 BEAERO [NH3+]Cc1ccccc1CN1CCCCCCC1=O ZINC000019385176 188280373 /nfs/dbraw/zinc/28/03/73/188280373.db2.gz FZYCXCVEOBDTNV-UHFFFAOYSA-N 1 0 246.354 2.438 10 0 BEAERO CC(C)C[C@H](C)Oc1ncccc1C(N)=[NH2+] ZINC000019518404 188281735 /nfs/dbraw/zinc/28/17/35/188281735.db2.gz MLYNUTXZDOMKKS-VIFPVBQESA-N 1 0 221.304 2.179 10 0 BEAERO CCOc1ccccc1[C@@H](O)C[NH+](CC)CC ZINC000019784835 188281939 /nfs/dbraw/zinc/28/19/39/188281939.db2.gz PKTXZBBOMNLFKQ-ZDUSSCGKSA-N 1 0 237.343 2.461 10 0 BEAERO Cc1cccc(NCC[C@H]2CCCO2)[nH+]1 ZINC000038097440 188282947 /nfs/dbraw/zinc/28/29/47/188282947.db2.gz JDVXCFNNIHYDQV-LLVKDONJSA-N 1 0 206.289 2.371 10 0 BEAERO C[NH2+]Cc1ccc(Br)cc1OC ZINC000034825791 188284707 /nfs/dbraw/zinc/28/47/07/188284707.db2.gz HOEKNIQDUPEVDW-UHFFFAOYSA-N 1 0 230.105 2.177 10 0 BEAERO CC(C)C[C@@](C)(C[NH3+])N(C)Cc1ccccn1 ZINC000036777259 188285863 /nfs/dbraw/zinc/28/58/63/188285863.db2.gz BMYPWAQVQHFAOV-AWEZNQCLSA-N 1 0 235.375 2.277 10 0 BEAERO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])c1ncon1 ZINC000036762007 188285922 /nfs/dbraw/zinc/28/59/22/188285922.db2.gz GEWUGPBKFFGLBS-JOYOIKCWSA-N 1 0 223.320 2.460 10 0 BEAERO COc1ccc(C[C@H](C)[NH3+])cc1OCC(F)F ZINC000037756466 188288444 /nfs/dbraw/zinc/28/84/44/188288444.db2.gz ZCQVYFVQAPNIER-QMMMGPOBSA-N 1 0 245.269 2.229 10 0 BEAERO CC(C)N1CC[NH2+]C[C@H]1c1ccccc1F ZINC000077334350 188290909 /nfs/dbraw/zinc/29/09/09/188290909.db2.gz JVSOSQPHZQHMNN-ZDUSSCGKSA-N 1 0 222.307 2.180 10 0 BEAERO CCCn1ccnc1[C@@H]([NH3+])c1ccccc1 ZINC000041110153 188292925 /nfs/dbraw/zinc/29/29/25/188292925.db2.gz LIDSNCJJRGXYGN-LBPRGKRZSA-N 1 0 215.300 2.341 10 0 BEAERO C[NH2+]Cc1cnn(-c2ccc(C)cc2C)c1 ZINC000040932530 188293039 /nfs/dbraw/zinc/29/30/39/188293039.db2.gz YISQEUCNDVOPMK-UHFFFAOYSA-N 1 0 215.300 2.209 10 0 BEAERO CC(C)N(CCO)c1cccc(F)c1[C@H](C)[NH3+] ZINC000042479753 188294202 /nfs/dbraw/zinc/29/42/02/188294202.db2.gz DEOVCMVUNCKNJU-JTQLQIEISA-N 1 0 240.322 2.053 10 0 BEAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccncc1 ZINC000049195697 188298277 /nfs/dbraw/zinc/29/82/77/188298277.db2.gz OAFHOSXUSCGDDF-JSGCOSHPSA-N 1 0 235.375 2.318 10 0 BEAERO CC(C)(C)c1ccc([C@@H]2OC[C@H](C[NH3+])O2)cc1 ZINC000049827411 188298923 /nfs/dbraw/zinc/29/89/23/188298923.db2.gz RGWNVDRIZRMZEW-QWHCGFSZSA-N 1 0 235.327 2.357 10 0 BEAERO CC(C)[C@H](C[NH+](C)C)N1Cc2cccc(N)c2C1 ZINC000049224239 188299030 /nfs/dbraw/zinc/29/90/30/188299030.db2.gz RSXVCBQFUHISKN-HNNXBMFYSA-N 1 0 247.386 2.171 10 0 BEAERO COc1ccc([C@]2(C)CCC[NH2+]2)cc1F ZINC000085698153 188299048 /nfs/dbraw/zinc/29/90/48/188299048.db2.gz QPOIWWRTDOBIQC-LBPRGKRZSA-N 1 0 209.264 2.433 10 0 BEAERO COc1ccc([C@](O)(C[NH2+]C2CC2)C2CC2)cc1 ZINC000049835631 188299184 /nfs/dbraw/zinc/29/91/84/188299184.db2.gz AZIQVHIQJMEKDO-HNNXBMFYSA-N 1 0 247.338 2.045 10 0 BEAERO Cc1ccc(OCC[C@H]2CCC[NH2+]C2)nc1 ZINC000051918714 188299521 /nfs/dbraw/zinc/29/95/21/188299521.db2.gz SMWKJPDNMNBJRQ-GFCCVEGCSA-N 1 0 220.316 2.159 10 0 BEAERO Cc1ncn([C@H](C[NH3+])c2ccccc2C)c1C ZINC000051925681 188299624 /nfs/dbraw/zinc/29/96/24/188299624.db2.gz FHAQKFKKDRZWKV-CQSZACIVSA-N 1 0 229.327 2.356 10 0 BEAERO CC(C)(CO)[NH2+]Cc1cccc2cnccc21 ZINC000061125035 188302673 /nfs/dbraw/zinc/30/26/73/188302673.db2.gz XDBJNQIRCWVVLO-UHFFFAOYSA-N 1 0 230.311 2.095 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccncc1 ZINC000252677275 353303482 /nfs/dbraw/zinc/30/34/82/353303482.db2.gz ZELGFJWVYZUHOM-HIFRSBDPSA-N 1 0 245.370 2.140 10 0 BEAERO [NH3+]CCCc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000062798149 188302949 /nfs/dbraw/zinc/30/29/49/188302949.db2.gz RUZSUMTUNUMPKR-UHFFFAOYSA-N 1 0 242.282 2.109 10 0 BEAERO CC(C)C[C@@H]1CN(Cc2ccco2)CCC[NH2+]1 ZINC000062618207 188303211 /nfs/dbraw/zinc/30/32/11/188303211.db2.gz HNRGYELGWRADFP-CYBMUJFWSA-N 1 0 236.359 2.490 10 0 BEAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1Cc1ccco1 ZINC000062611121 188303688 /nfs/dbraw/zinc/30/36/88/188303688.db2.gz XADANQQDOGULTP-YPMHNXCESA-N 1 0 222.332 2.098 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccnc1 ZINC000252661388 353303841 /nfs/dbraw/zinc/30/38/41/353303841.db2.gz JHEBYCNPQKMHEU-ZFWWWQNUSA-N 1 0 245.370 2.140 10 0 BEAERO Cc1cccc(C(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000071508662 188305474 /nfs/dbraw/zinc/30/54/74/188305474.db2.gz PCWKGIFCATZCSJ-LBPRGKRZSA-N 1 0 203.285 2.320 10 0 BEAERO FCCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127922501 180931719 /nfs/dbraw/zinc/93/17/19/180931719.db2.gz VJFGWFJKBNXLJG-NEPJUHHUSA-N 1 0 225.311 2.316 10 0 BEAERO COc1ccc([C@H](C)[C@H](C)C[NH3+])cc1OC ZINC000082362352 188312764 /nfs/dbraw/zinc/31/27/64/188312764.db2.gz XFAVKWWTLRRVOA-NXEZZACHSA-N 1 0 223.316 2.402 10 0 BEAERO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C)CCN1 ZINC000083060050 188315362 /nfs/dbraw/zinc/31/53/62/188315362.db2.gz AHRJNOXBFOJLSG-MELADBBJSA-N 1 0 224.392 2.495 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@]12CCC[NH2+]2 ZINC000091690520 188318753 /nfs/dbraw/zinc/31/87/53/188318753.db2.gz SSPFZTCMBZHRDB-CYBMUJFWSA-N 1 0 240.347 2.487 10 0 BEAERO Cc1ccc(OCCC[C@@H]2CCCC[NH2+]2)nn1 ZINC000095069136 188318895 /nfs/dbraw/zinc/31/88/95/188318895.db2.gz UOOYEHCBCPIPLQ-LBPRGKRZSA-N 1 0 235.331 2.086 10 0 BEAERO COc1ncc(C(F)(F)F)cc1[C@H](C)[NH3+] ZINC000095756625 188320520 /nfs/dbraw/zinc/32/05/20/188320520.db2.gz FXESPSURMBYAFY-YFKPBYRVSA-N 1 0 220.194 2.129 10 0 BEAERO Cn1cc(C[NH2+][C@H]2CCc3c2cccc3F)cn1 ZINC000111356498 188327247 /nfs/dbraw/zinc/32/72/47/188327247.db2.gz GCMUSLGVBLXQDZ-AWEZNQCLSA-N 1 0 245.301 2.336 10 0 BEAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc(Br)cn1 ZINC000130095103 353339989 /nfs/dbraw/zinc/33/99/89/353339989.db2.gz KAFIEWCXBYAHGW-APPZFPTMSA-N 1 0 241.132 2.167 10 0 BEAERO CCC(CC)n1ccc(C[NH2+][C@H](C)COC)n1 ZINC000085172470 538115708 /nfs/dbraw/zinc/11/57/08/538115708.db2.gz BMHLOPIBYUTDPY-LLVKDONJSA-N 1 0 239.363 2.369 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2CCSC2)C[C@@H](C)O1 ZINC000309114331 188343375 /nfs/dbraw/zinc/34/33/75/188343375.db2.gz KUCGIBQQHJACHY-CKYFFXLPSA-N 1 0 229.389 2.285 10 0 BEAERO CC(C)(C)[C@@](F)(C[NH3+])C1=COCCC1 ZINC000160172577 353374619 /nfs/dbraw/zinc/37/46/19/353374619.db2.gz LLFRHXJYKACOJT-LLVKDONJSA-N 1 0 201.285 2.394 10 0 BEAERO Cc1ccc(Br)cc1C(=O)[C@@H](C)[NH3+] ZINC000083255750 188355671 /nfs/dbraw/zinc/35/56/71/188355671.db2.gz KZCSMFLTQSRPLU-SSDOTTSWSA-N 1 0 242.116 2.287 10 0 BEAERO CC(C)C[C@@H]1CNCC[N@@H+]1C1CCCC1 ZINC000062570362 188360458 /nfs/dbraw/zinc/36/04/58/188360458.db2.gz XKZKXTGARAGHDI-CYBMUJFWSA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)C1CC[NH2+]CC1 ZINC000135197263 188404493 /nfs/dbraw/zinc/40/44/93/188404493.db2.gz DDJCRRBBEJANAG-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000134359497 353480263 /nfs/dbraw/zinc/48/02/63/353480263.db2.gz DBRCTMZLYFVKEL-QJPTWQEYSA-N 1 0 226.364 2.151 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccn1 ZINC000037889252 358479036 /nfs/dbraw/zinc/47/90/36/358479036.db2.gz YJMKRUFZKGKVOS-UBHSHLNASA-N 1 0 234.343 2.426 10 0 BEAERO Fc1ccc2oc(C3CC[NH2+]CC3)nc2c1 ZINC000041568886 180993284 /nfs/dbraw/zinc/99/32/84/180993284.db2.gz SKOIPFMPHPQLJA-UHFFFAOYSA-N 1 0 220.247 2.434 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]CCC(C)C ZINC000190778975 353723855 /nfs/dbraw/zinc/72/38/55/353723855.db2.gz ANAOMNFVIVWBMV-NSHDSACASA-N 1 0 222.336 2.057 10 0 BEAERO Fc1cccc2[nH]c([C@H]3CCC[NH2+]3)nc21 ZINC000037442420 181003948 /nfs/dbraw/zinc/00/39/48/181003948.db2.gz FPADLUAARNKZCF-SECBINFHSA-N 1 0 205.236 2.127 10 0 BEAERO Fc1ccccc1Cc1noc([C@@H]2CCC[NH2+]2)n1 ZINC000049671267 181013891 /nfs/dbraw/zinc/01/38/91/181013891.db2.gz NLLSZDMZALLIEY-NSHDSACASA-N 1 0 247.273 2.224 10 0 BEAERO Fc1ccccc1Cc1noc([C@H]2CCC[NH2+]2)n1 ZINC000049671268 181014123 /nfs/dbraw/zinc/01/41/23/181014123.db2.gz NLLSZDMZALLIEY-LLVKDONJSA-N 1 0 247.273 2.224 10 0 BEAERO Cc1ccc([C@@H](O)CC[NH3+])c(Br)c1 ZINC000129606487 353818672 /nfs/dbraw/zinc/81/86/72/353818672.db2.gz DVETULWYAQTCMW-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@]2(CCCCO2)C1 ZINC000366833389 353927434 /nfs/dbraw/zinc/92/74/34/353927434.db2.gz KQFRDBZYBIRVDQ-CQSZACIVSA-N 1 0 240.391 2.020 10 0 BEAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCOC1 ZINC000343560768 353934158 /nfs/dbraw/zinc/93/41/58/353934158.db2.gz ZLVSFHUAYPEZFU-HKUMRIAESA-N 1 0 241.375 2.205 10 0 BEAERO COC(C)(C)c1csc([C@@H](C)[NH3+])n1 ZINC000301015896 363295575 /nfs/dbraw/zinc/29/55/75/363295575.db2.gz OZSYGVISRUWFPO-ZCFIWIBFSA-N 1 0 200.307 2.044 10 0 BEAERO CC(C)([NH3+])C(=O)C[C@H]1CCC(F)(F)C1 ZINC000301028960 363338476 /nfs/dbraw/zinc/33/84/76/363338476.db2.gz UADLGSUMKONUEX-SSDOTTSWSA-N 1 0 205.248 2.118 10 0 BEAERO CC1(C)[C@H](c2ncc(Cl)s2)[C@@H]1C[NH3+] ZINC000301042205 363369372 /nfs/dbraw/zinc/36/93/72/363369372.db2.gz ZTCUXYGXBGBWPH-FSPLSTOPSA-N 1 0 216.737 2.495 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1C=CCC1 ZINC000113230593 354310768 /nfs/dbraw/zinc/31/07/68/354310768.db2.gz ZWJILILBTWUGDQ-HZSPNIEDSA-N 1 0 248.370 2.038 10 0 BEAERO CCNc1cc(Br)ccc1C[NH3+] ZINC000165953583 354385606 /nfs/dbraw/zinc/38/56/06/354385606.db2.gz QJJALYKXEQAGQF-UHFFFAOYSA-N 1 0 229.121 2.340 10 0 BEAERO Cc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)nc1C ZINC000578004872 366173638 /nfs/dbraw/zinc/17/36/38/366173638.db2.gz CRBPHMYLOQRABW-KGLIPLIRSA-N 1 0 247.386 2.176 10 0 BEAERO Cc1c[nH+]ccc1N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334645280 354403934 /nfs/dbraw/zinc/40/39/34/354403934.db2.gz OESZUUVPOXLLTL-GXTWGEPZSA-N 1 0 244.338 2.395 10 0 BEAERO CC(C)C1([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000379457041 358489256 /nfs/dbraw/zinc/48/92/56/358489256.db2.gz QNBCEZQLLXTRAK-LBPRGKRZSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000233307494 363399748 /nfs/dbraw/zinc/39/97/48/363399748.db2.gz SERPZODMCRUMHD-RKDXNWHRSA-N 1 0 227.739 2.352 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cncn1CC ZINC000233416693 363400644 /nfs/dbraw/zinc/40/06/44/363400644.db2.gz HGTMIZKKYZJFNZ-JQWIXIFHSA-N 1 0 207.321 2.181 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000040502206 358492840 /nfs/dbraw/zinc/49/28/40/358492840.db2.gz TYSUAUATUFGURP-NWDGAFQWSA-N 1 0 222.332 2.415 10 0 BEAERO NC(=[NH2+])CCCCOCCCc1ccncc1 ZINC000049579966 181186836 /nfs/dbraw/zinc/18/68/36/181186836.db2.gz ARVSZHVXGMVZRJ-UHFFFAOYSA-N 1 0 235.331 2.137 10 0 BEAERO NC(=[NH2+])CCO[C@@H]1CCCc2ccccc21 ZINC000019516317 181186766 /nfs/dbraw/zinc/18/67/66/181186766.db2.gz HTEJMMLWWWUJPF-GFCCVEGCSA-N 1 0 218.300 2.407 10 0 BEAERO Cc1nc(C[NH2+]C(C)C)c2n1CCCC2 ZINC000134037754 355366138 /nfs/dbraw/zinc/36/61/38/355366138.db2.gz PBBNVJYKKIPXPO-UHFFFAOYSA-N 1 0 207.321 2.026 10 0 BEAERO NC(=[NH2+])c1cc(F)ccc1-n1ccc(C2CC2)n1 ZINC000104236869 181193552 /nfs/dbraw/zinc/19/35/52/181193552.db2.gz JMMQZIJWGKMFSI-UHFFFAOYSA-N 1 0 244.273 2.173 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1ccc(Cl)s1 ZINC000166412455 355409323 /nfs/dbraw/zinc/40/93/23/355409323.db2.gz MGFJQWPULRYRAW-RXMQYKEDSA-N 1 0 203.694 2.322 10 0 BEAERO NC(=[NH2+])c1c(F)cccc1C(F)(F)F ZINC000001443063 181192152 /nfs/dbraw/zinc/19/21/52/181192152.db2.gz APYHNPYRPUZYAD-UHFFFAOYSA-N 1 0 206.142 2.129 10 0 BEAERO NC(=[NH2+])c1c(F)cccc1N1CCCCC1 ZINC000062566017 181192397 /nfs/dbraw/zinc/19/23/97/181192397.db2.gz IWUMMPURJVUJBW-UHFFFAOYSA-N 1 0 221.279 2.100 10 0 BEAERO NC(=[NH2+])c1ccc(Oc2ccc(F)cc2F)nc1 ZINC000019505910 181194996 /nfs/dbraw/zinc/19/49/96/181194996.db2.gz KBVIQIRHNGZISI-UHFFFAOYSA-N 1 0 249.220 2.436 10 0 BEAERO NC(=[NH2+])c1ccc(OCC(F)(F)F)c(F)c1 ZINC000036887997 181195311 /nfs/dbraw/zinc/19/53/11/181195311.db2.gz KUYGTEUUZBCFSB-UHFFFAOYSA-N 1 0 236.168 2.051 10 0 BEAERO NC(=[NH2+])c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000019430561 181197259 /nfs/dbraw/zinc/19/72/59/181197259.db2.gz GWBFGVJPCPSFRC-UHFFFAOYSA-N 1 0 249.220 2.436 10 0 BEAERO [NH2+]=C(NC1CC1)N[C@H]1CCCc2sccc21 ZINC000061368224 181197390 /nfs/dbraw/zinc/19/73/90/181197390.db2.gz JGAFGKHPTNNEMD-JTQLQIEISA-N 1 0 235.356 2.402 10 0 BEAERO [NH2+]=C([C@@H]1COc2ccccc2O1)N1CCCCC1 ZINC000049926568 181206981 /nfs/dbraw/zinc/20/69/81/181206981.db2.gz MZXSHTVREBBPKU-ZDUSSCGKSA-N 1 0 246.310 2.290 10 0 BEAERO [NH2+]=C1c2cc(F)ccc2CN1C[C@@H]1CCCOC1 ZINC000071269077 181207249 /nfs/dbraw/zinc/20/72/49/181207249.db2.gz VKDOXUQBCHSHFL-JTQLQIEISA-N 1 0 248.301 2.393 10 0 BEAERO NC(=[NH2+])SC[C@H]1CCC2(CCCCC2)O1 ZINC000191698116 355833983 /nfs/dbraw/zinc/83/39/83/355833983.db2.gz ZOBLWNXSIJJFOD-SECBINFHSA-N 1 0 228.361 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC000389197801 355839584 /nfs/dbraw/zinc/83/95/84/355839584.db2.gz XUZSUFBXXMLVGJ-ZDUSSCGKSA-N 1 0 236.334 2.318 10 0 BEAERO [NH3+][C@@H](CC1CCSCC1)C1=CCCO1 ZINC000168478140 355849319 /nfs/dbraw/zinc/84/93/19/355849319.db2.gz LSTWKVHOTRFPHD-JTQLQIEISA-N 1 0 213.346 2.151 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000399287344 355903123 /nfs/dbraw/zinc/90/31/23/355903123.db2.gz ZTYGHWJOWFGUOU-NXEZZACHSA-N 1 0 235.287 2.147 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000085010999 355911049 /nfs/dbraw/zinc/91/10/49/355911049.db2.gz MBCSAIRGXAMVEJ-AXFHLTTASA-N 1 0 226.364 2.007 10 0 BEAERO C/C=C/C=C/C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167355623 355984580 /nfs/dbraw/zinc/98/45/80/355984580.db2.gz FMLGCLJZJWRFAC-CRBCFSCISA-N 1 0 242.322 2.403 10 0 BEAERO CC[N@@H+]1CC[C@@H](Nc2ncnc3sccc32)C1 ZINC000389268902 355943495 /nfs/dbraw/zinc/94/34/95/355943495.db2.gz QNSYFTFGMRYVJD-SECBINFHSA-N 1 0 248.355 2.197 10 0 BEAERO CC[N@@H+]1CC[C@@H](Nc2cc(C(C)C)ncn2)C1 ZINC000389326172 355966081 /nfs/dbraw/zinc/96/60/81/355966081.db2.gz HBCSHSJLXAAKNE-LLVKDONJSA-N 1 0 234.347 2.106 10 0 BEAERO CC[N@@H+]1CC[C@H](Nc2ncnc3ccccc32)C1 ZINC000389341858 355972927 /nfs/dbraw/zinc/97/29/27/355972927.db2.gz JITWQALHNXAEGF-NSHDSACASA-N 1 0 242.326 2.136 10 0 BEAERO NC(=O)CC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037483920 181226675 /nfs/dbraw/zinc/22/66/75/181226675.db2.gz FIVHFJAXEOKOIG-SECBINFHSA-N 1 0 247.125 2.259 10 0 BEAERO NC(=O)CC[C@H]([NH3+])c1csc2ccccc21 ZINC000037483917 181227479 /nfs/dbraw/zinc/22/74/79/181227479.db2.gz YKGYVMPNRBRXCN-JTQLQIEISA-N 1 0 234.324 2.167 10 0 BEAERO NC(=O)CC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037483927 181227969 /nfs/dbraw/zinc/22/79/69/181227969.db2.gz ZYARZEFMXKVZRK-VIFPVBQESA-N 1 0 247.125 2.259 10 0 BEAERO CCC(F)(F)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000639489705 356306688 /nfs/dbraw/zinc/30/66/88/356306688.db2.gz SOUVJMAZHMDJNU-QWRGUYRKSA-N 1 0 232.318 2.200 10 0 BEAERO CCC(F)(F)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000639489701 356306724 /nfs/dbraw/zinc/30/67/24/356306724.db2.gz SOUVJMAZHMDJNU-GHMZBOCLSA-N 1 0 232.318 2.200 10 0 BEAERO OC[C@@H]1CCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336144555 134101697 /nfs/dbraw/zinc/10/16/97/134101697.db2.gz CBIMUGBMENEGHW-MNOVXSKESA-N 1 0 233.302 2.126 10 0 BEAERO C[C@]([NH3+])(C(=O)c1ccc(F)cc1)C1CC1 ZINC000168566871 356422362 /nfs/dbraw/zinc/42/23/62/356422362.db2.gz RXJLMPNFTTZTEV-GFCCVEGCSA-N 1 0 207.248 2.136 10 0 BEAERO Cc1ccccc1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000168584136 356426480 /nfs/dbraw/zinc/42/64/80/356426480.db2.gz ZCRPHPLSLQUVNJ-ZDUSSCGKSA-N 1 0 203.285 2.305 10 0 BEAERO Fc1cccc2cccc(N3CC[NH2+]CC3)c12 ZINC000139234219 356435089 /nfs/dbraw/zinc/43/50/89/356435089.db2.gz CIRXNMWOLOTGND-UHFFFAOYSA-N 1 0 230.286 2.389 10 0 BEAERO NC(=O)[C@H]([NH2+]C1CCCCC1)[C@@H]1CC=CCC1 ZINC000037969809 181278541 /nfs/dbraw/zinc/27/85/41/181278541.db2.gz XLSFHDJNFAFEIG-DGCLKSJQSA-N 1 0 236.359 2.119 10 0 BEAERO N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000020260087 356488057 /nfs/dbraw/zinc/48/80/57/356488057.db2.gz PMDGVUJWHYIPGG-ZIAGYGMSSA-N 1 0 216.328 2.097 10 0 BEAERO CC(C)(C)c1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000020558266 356489647 /nfs/dbraw/zinc/48/96/47/356489647.db2.gz JAVHXWXZJAOXPH-UHFFFAOYSA-N 1 0 231.299 2.493 10 0 BEAERO C[C@@H]1CO[C@H](c2ccc(Cl)s2)C[NH2+]1 ZINC000035286469 356474708 /nfs/dbraw/zinc/47/47/08/356474708.db2.gz PQHXSCSSYWJBPU-RQJHMYQMSA-N 1 0 217.721 2.451 10 0 BEAERO C[C@@H]1COCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336193315 134124847 /nfs/dbraw/zinc/12/48/47/134124847.db2.gz MQGRGPBGWHYINB-WDEREUQCSA-N 1 0 233.302 2.390 10 0 BEAERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)NC ZINC000449781836 202035715 /nfs/dbraw/zinc/03/57/15/202035715.db2.gz XDWDXMAGCQPLEQ-UTUOFQBUSA-N 1 0 240.391 2.315 10 0 BEAERO COc1c(C[NH2+]CCCC2CC2)c(C)nn1C ZINC000130613425 363520193 /nfs/dbraw/zinc/52/01/93/363520193.db2.gz GJVHXMAYSMCRKZ-UHFFFAOYSA-N 1 0 237.347 2.017 10 0 BEAERO CCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000382245081 538469213 /nfs/dbraw/zinc/46/92/13/538469213.db2.gz SSJZFJXNCUBCBJ-ZDEQEGDKSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@]1(C(F)(F)F)CC[C@H](CC[NH3+])O1 ZINC000675056487 538479225 /nfs/dbraw/zinc/47/92/25/538479225.db2.gz KUILUSRQLLUDOV-HTQZYQBOSA-N 1 0 211.227 2.225 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)CO)C1C2CC3CC(C2)CC1C3 ZINC000675057527 538479670 /nfs/dbraw/zinc/47/96/70/538479670.db2.gz DRLJQFLYFWQSAG-UIJZZRANSA-N 1 0 237.387 2.418 10 0 BEAERO C[C@H](CO)[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057525 538480215 /nfs/dbraw/zinc/48/02/15/538480215.db2.gz DRLJQFLYFWQSAG-SZNDMFOPSA-N 1 0 237.387 2.418 10 0 BEAERO O=Cc1cccc(C=C2CC[NH2+]CC2)c1 ZINC000675051102 538473547 /nfs/dbraw/zinc/47/35/47/538473547.db2.gz ADWFAYCMJMOUTN-UHFFFAOYSA-N 1 0 201.269 2.266 10 0 BEAERO c1cn([C@H]2CCCC[C@H]2[NH2+]CC2CC2)cn1 ZINC000675055548 538475710 /nfs/dbraw/zinc/47/57/10/538475710.db2.gz VYXKXBZJIAJSJJ-OLZOCXBDSA-N 1 0 219.332 2.366 10 0 BEAERO C[C@@H]1CCCN(CC23CCC(CC2)[NH2+]3)[C@H]1C ZINC000675056025 538476973 /nfs/dbraw/zinc/47/69/73/538476973.db2.gz IJJZVLHCRWUGLT-KBHBFKLGSA-N 1 0 222.376 2.391 10 0 BEAERO CCOc1ccc([C@H](C)[NH2+]CCCOC)o1 ZINC000675056130 538477726 /nfs/dbraw/zinc/47/77/26/538477726.db2.gz CVZHJLYFJFKCMS-JTQLQIEISA-N 1 0 227.304 2.365 10 0 BEAERO Cc1cc(F)cc(N2CC[NH2+][C@H](C)CC2)c1 ZINC000675059668 538485510 /nfs/dbraw/zinc/48/55/10/538485510.db2.gz TXDRBFGVQDOCGA-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])c1nnc([C@@H](C)CC)[nH]1 ZINC000675061370 538487159 /nfs/dbraw/zinc/48/71/59/538487159.db2.gz ZWRAZIVBBAEYLO-HRDYMLBCSA-N 1 0 210.325 2.364 10 0 BEAERO Cc1cccc([C@@H]2CC[C@@H](C[NH3+])OC2)c1 ZINC000675061034 538487310 /nfs/dbraw/zinc/48/73/10/538487310.db2.gz WOZLPPBNDLWQGR-OLZOCXBDSA-N 1 0 205.301 2.216 10 0 BEAERO CCN1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389421814 356656838 /nfs/dbraw/zinc/65/68/38/356656838.db2.gz VORQFCKPMIDUPW-AJHXJQRKSA-N 1 0 230.355 2.384 10 0 BEAERO CCc1cn2c(n1)[C@H](CC(F)F)[NH2+]CCC2 ZINC000675067658 538495246 /nfs/dbraw/zinc/49/52/46/538495246.db2.gz GKVOFGMUDGTBIH-VIFPVBQESA-N 1 0 229.274 2.135 10 0 BEAERO Cc1cn2c(n1)[C@H](C(C)(C)C)[NH2+]CCC2 ZINC000675068207 538495779 /nfs/dbraw/zinc/49/57/79/538495779.db2.gz NPXNHZHRIJRYJA-SNVBAGLBSA-N 1 0 207.321 2.272 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(OC)ns1 ZINC000399097630 366324585 /nfs/dbraw/zinc/32/45/85/366324585.db2.gz ZGCGAPVZSNDNEX-PSASIEDQSA-N 1 0 226.345 2.430 10 0 BEAERO CCc1cn2c(n1)[C@H](CC1CC1)[NH2+]CCC2 ZINC000675070030 538499731 /nfs/dbraw/zinc/49/97/31/538499731.db2.gz ZTUJTGXLDJYVQV-LBPRGKRZSA-N 1 0 219.332 2.280 10 0 BEAERO COc1nc2c(C)c(F)ccc2cc1C[NH3+] ZINC000675070248 538499916 /nfs/dbraw/zinc/49/99/16/538499916.db2.gz TXWPCMPBSMLDBT-UHFFFAOYSA-N 1 0 220.247 2.150 10 0 BEAERO COc1ncccc1[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000675072299 538502622 /nfs/dbraw/zinc/50/26/22/538502622.db2.gz BFLOLNUPNRBJNJ-MWLCHTKSSA-N 1 0 206.289 2.293 10 0 BEAERO CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)C ZINC000167640879 134153482 /nfs/dbraw/zinc/15/34/82/134153482.db2.gz HLXJBQMITAAHIU-MNOVXSKESA-N 1 0 201.354 2.418 10 0 BEAERO COC(=O)[C@H](C[NH3+])[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000675072434 538503399 /nfs/dbraw/zinc/50/33/99/538503399.db2.gz CHRPOSXEYGVLLH-GMTAPVOTSA-N 1 0 227.348 2.197 10 0 BEAERO [NH3+]CCCC1(NC(=O)CC2CC2)CCCCC1 ZINC000675072614 538503487 /nfs/dbraw/zinc/50/34/87/538503487.db2.gz ARNMFHYIPZHGIK-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C(C)C ZINC000167766720 134153906 /nfs/dbraw/zinc/15/39/06/134153906.db2.gz LQVXGMSKJZTRLH-MNOVXSKESA-N 1 0 236.363 2.310 10 0 BEAERO Clc1cncc(OCC[NH+]2CCCC2)c1 ZINC000675076018 538510489 /nfs/dbraw/zinc/51/04/89/538510489.db2.gz IMPZYQDFPCQDBT-UHFFFAOYSA-N 1 0 226.707 2.210 10 0 BEAERO COc1nc2c(F)cc(F)c(F)c2cc1C[NH3+] ZINC000675069197 538498678 /nfs/dbraw/zinc/49/86/78/538498678.db2.gz CUHYUYNFBFBIFY-UHFFFAOYSA-N 1 0 242.200 2.119 10 0 BEAERO [NH3+]CC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000083557700 538513654 /nfs/dbraw/zinc/51/36/54/538513654.db2.gz DWSACBLRYAIXOO-SECBINFHSA-N 1 0 220.099 2.376 10 0 BEAERO [NH3+]CC[C@@H](O)c1cc(Cl)ccc1Cl ZINC000083557800 538513733 /nfs/dbraw/zinc/51/37/33/538513733.db2.gz UNAYQVOLXXLOTB-SECBINFHSA-N 1 0 220.099 2.376 10 0 BEAERO CC[C@H](C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000083564491 538513926 /nfs/dbraw/zinc/51/39/26/538513926.db2.gz ULUJMJLHLSPHDH-HZGVNTEJSA-N 1 0 248.120 2.060 10 0 BEAERO COc1ccc([C@]23C[C@H](CC2)[C@@H]3[NH3+])cc1 ZINC000675081263 538521231 /nfs/dbraw/zinc/52/12/31/538521231.db2.gz OOISVIBOZJZTAW-TVYUQYBPSA-N 1 0 203.285 2.074 10 0 BEAERO [NH3+]CC[C@H](O)c1cc(Cl)ccc1Cl ZINC000083557801 538513179 /nfs/dbraw/zinc/51/31/79/538513179.db2.gz UNAYQVOLXXLOTB-VIFPVBQESA-N 1 0 220.099 2.376 10 0 BEAERO C[C@](O)(CC[NH3+])c1cccc(Br)c1 ZINC000084554344 538534493 /nfs/dbraw/zinc/53/44/93/538534493.db2.gz ZKMSMCMQCWQLGE-JTQLQIEISA-N 1 0 244.132 2.005 10 0 BEAERO CC(C)(C)OC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000126862391 538536644 /nfs/dbraw/zinc/53/66/44/538536644.db2.gz VUIQCLKFOWDKRD-MRVPVSSYSA-N 1 0 201.310 2.092 10 0 BEAERO CC[C@H](C[NH3+])[C@H](O)c1cc(Cl)cs1 ZINC000086334994 538553763 /nfs/dbraw/zinc/55/37/63/538553763.db2.gz QQWWIMBJMCLNSQ-MUWHJKNJSA-N 1 0 219.737 2.420 10 0 BEAERO Cc1ccsc1C(=O)C[C@H]1CCC[NH2+]1 ZINC000086499636 538555706 /nfs/dbraw/zinc/55/57/06/538555706.db2.gz YQOLSNBBUULCOA-SECBINFHSA-N 1 0 209.314 2.381 10 0 BEAERO Cc1nc(C(=O)C[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000086499633 538555747 /nfs/dbraw/zinc/55/57/47/538555747.db2.gz QSDDYYHMCLYSLU-VIFPVBQESA-N 1 0 224.329 2.085 10 0 BEAERO C[C@@H](C(=O)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000086499578 538556212 /nfs/dbraw/zinc/55/62/12/538556212.db2.gz ZQSXXJIARFBZQA-BDAKNGLRSA-N 1 0 209.314 2.319 10 0 BEAERO O=C1c2ccsc2CC[C@H]1[C@H]1CCC[NH2+]1 ZINC000086499621 538556347 /nfs/dbraw/zinc/55/63/47/538556347.db2.gz KWDAZMKAHWIBBX-WCBMZHEXSA-N 1 0 221.325 2.245 10 0 BEAERO Fc1cccc([C@@H]2C[C@@H](F)C[NH2+]2)c1F ZINC000675082622 538523619 /nfs/dbraw/zinc/52/36/19/538523619.db2.gz QJGSIERRBPZAFW-MUWHJKNJSA-N 1 0 201.191 2.337 10 0 BEAERO CCC[NH2+]CCc1ccccc1COC ZINC000083969057 538525730 /nfs/dbraw/zinc/52/57/30/538525730.db2.gz VIOIAPUYSPGNDC-UHFFFAOYSA-N 1 0 207.317 2.375 10 0 BEAERO CC[C@@H](C[NH3+])[C@H](O)c1sccc1Cl ZINC000087723041 538569554 /nfs/dbraw/zinc/56/95/54/538569554.db2.gz UATHPIJMEMUKKQ-XPUUQOCRSA-N 1 0 219.737 2.420 10 0 BEAERO C[C@@H]1CCC[C@@H](CC(=O)C(F)(F)F)[NH2+]1 ZINC000130345100 538587848 /nfs/dbraw/zinc/58/78/48/538587848.db2.gz SDAGMUBYCAHXRH-RQJHMYQMSA-N 1 0 209.211 2.039 10 0 BEAERO C[C@H]1CC[NH2+][C@@H](CC(=O)c2ccoc2)C1 ZINC000130366507 538589307 /nfs/dbraw/zinc/58/93/07/538589307.db2.gz MYVXERIWCOKEDB-GXSJLCMTSA-N 1 0 207.273 2.241 10 0 BEAERO C[C@H]1CC[NH2+][C@H](CC(=O)c2cscn2)C1 ZINC000130388381 538589954 /nfs/dbraw/zinc/58/99/54/538589954.db2.gz CUTUVDHCOYEWPG-IUCAKERBSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@@H]1CCC[C@@H](CC(=O)c2cscn2)[NH2+]1 ZINC000130390433 538590122 /nfs/dbraw/zinc/59/01/22/538590122.db2.gz KBLISXNUOGQLDC-BDAKNGLRSA-N 1 0 224.329 2.247 10 0 BEAERO C[C@@H]1CCC[C@@H](CC(=O)c2ccco2)[NH2+]1 ZINC000130298920 538590331 /nfs/dbraw/zinc/59/03/31/538590331.db2.gz OMKMDXFOHJGXDC-ZJUUUORDSA-N 1 0 207.273 2.383 10 0 BEAERO C[C@@H]1CCC[C@H](CC(=O)c2ccco2)[NH2+]1 ZINC000130298498 538590884 /nfs/dbraw/zinc/59/08/84/538590884.db2.gz OMKMDXFOHJGXDC-NXEZZACHSA-N 1 0 207.273 2.383 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)c(F)c1 ZINC000257585629 538738069 /nfs/dbraw/zinc/73/80/69/538738069.db2.gz KDJJDGQYCDVRRQ-SKDRFNHKSA-N 1 0 226.270 2.059 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000389547847 356987307 /nfs/dbraw/zinc/98/73/07/356987307.db2.gz NAPZMTXDPSLENO-CYBMUJFWSA-N 1 0 243.354 2.352 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)C1 ZINC000389586877 356995857 /nfs/dbraw/zinc/99/58/57/356995857.db2.gz ZCLLSMKBPCVGDQ-ZOBORPQBSA-N 1 0 224.392 2.495 10 0 BEAERO CC(C)c1cc(N[C@@H]2C[NH2+]CC[C@H]2C)ncn1 ZINC000389741630 357023551 /nfs/dbraw/zinc/02/35/51/357023551.db2.gz ZURUJURXOHQREX-ZYHUDNBSSA-N 1 0 234.347 2.010 10 0 BEAERO CCCCOc1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000120369477 357045957 /nfs/dbraw/zinc/04/59/57/357045957.db2.gz RLMGDYCHKMLOKG-UHFFFAOYSA-N 1 0 249.354 2.480 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncnc2ccccc21 ZINC000389693229 357015798 /nfs/dbraw/zinc/01/57/98/357015798.db2.gz AFBAEJJTAWKGHJ-ZWNOBZJWSA-N 1 0 242.326 2.040 10 0 BEAERO CCOP(=O)(OCC)[C@@]1(C)CCC=[N+]1O ZINC000223788273 357068094 /nfs/dbraw/zinc/06/80/94/357068094.db2.gz UDBVYMDWZYWQCC-VIFPVBQESA-N 1 0 236.228 2.235 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CCCC(C)(F)F ZINC000390115193 357082365 /nfs/dbraw/zinc/08/23/65/357082365.db2.gz ZRUMSZXRGWYHHY-VIFPVBQESA-N 1 0 223.307 2.418 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CC[C@@H](C)C2)cnn1C ZINC000230412142 357522270 /nfs/dbraw/zinc/52/22/70/357522270.db2.gz NRBQYKPYGKJBRR-ZYHUDNBSSA-N 1 0 221.348 2.254 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCc2ccncc2)o1 ZINC000231742487 357623857 /nfs/dbraw/zinc/62/38/57/357623857.db2.gz YPZANFBMPVZWLE-NSHDSACASA-N 1 0 231.299 2.271 10 0 BEAERO CCC(F)(F)C(C)(C)C[NH2+]CC(C)(C)O ZINC000623412708 357598137 /nfs/dbraw/zinc/59/81/37/357598137.db2.gz XTYARUCSFAXMIE-UHFFFAOYSA-N 1 0 223.307 2.418 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)[C@@H]1CCCO1 ZINC000232128806 357646736 /nfs/dbraw/zinc/64/67/36/357646736.db2.gz KPRVCDIZGDDMQL-UBHSHLNASA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@]1(N)C[NH2+]C[C@@H]1c1cc(C)cc(C)c1 ZINC000685945920 538887517 /nfs/dbraw/zinc/88/75/17/538887517.db2.gz GECQDGFIQMNVFW-KGLIPLIRSA-N 1 0 218.344 2.098 10 0 BEAERO CCC[C@H](C)C(=O)N1CCC[C@@]([NH3+])(CC)C1 ZINC000685947728 538889838 /nfs/dbraw/zinc/88/98/38/538889838.db2.gz QSUPSJJNXSQXRR-AAEUAGOBSA-N 1 0 226.364 2.153 10 0 BEAERO c1ccc(C[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000063517818 357660784 /nfs/dbraw/zinc/66/07/84/357660784.db2.gz SLPZMKHUUCULQX-UHFFFAOYSA-N 1 0 230.355 2.357 10 0 BEAERO [NH3+]C1(c2ccc([C@@H]3CCO3)cc2)CCC1 ZINC000685950493 538893771 /nfs/dbraw/zinc/89/37/71/538893771.db2.gz RRORIZFSQPEOBT-LBPRGKRZSA-N 1 0 203.285 2.486 10 0 BEAERO COc1cc2[nH]ccc2cc1CCC[NH3+] ZINC000685951752 538895546 /nfs/dbraw/zinc/89/55/46/538895546.db2.gz XJHYXSVSJPZKTM-UHFFFAOYSA-N 1 0 204.273 2.068 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H](O)C2CCCCC2)CCS1 ZINC000190515555 357713678 /nfs/dbraw/zinc/71/36/78/357713678.db2.gz YMTPEICVMZBCRA-YPMHNXCESA-N 1 0 243.416 2.365 10 0 BEAERO CC[C@@H]([NH2+]CC1CC(O)C1)[C@H]1CC1(C)C ZINC000397850630 357737698 /nfs/dbraw/zinc/73/76/98/357737698.db2.gz VZGWEXKYHDDXBQ-KIDURHIOSA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@H](c1ccccc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191084113 357748682 /nfs/dbraw/zinc/74/86/82/357748682.db2.gz YNWORIJVAAXLEE-CQSZACIVSA-N 1 0 246.354 2.302 10 0 BEAERO CCN(C)C(=O)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000217361227 357868282 /nfs/dbraw/zinc/86/82/82/357868282.db2.gz GPFSPHMMVLKSGJ-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO C[C@@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000399265782 357900562 /nfs/dbraw/zinc/90/05/62/357900562.db2.gz NXAGGSXLYSWSIN-RYUDHWBXSA-N 1 0 240.391 2.269 10 0 BEAERO Cc1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000584457371 357973805 /nfs/dbraw/zinc/97/38/05/357973805.db2.gz RDYMRTLKXDPAKL-VXGBXAGGSA-N 1 0 219.332 2.190 10 0 BEAERO Cc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000584457370 357974227 /nfs/dbraw/zinc/97/42/27/357974227.db2.gz RDYMRTLKXDPAKL-RYUDHWBXSA-N 1 0 219.332 2.190 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1C/C(Cl)=C/Cl ZINC000168970135 358001957 /nfs/dbraw/zinc/00/19/57/358001957.db2.gz SBFKLTUJRSPMFT-BVQMJAIZSA-N 1 0 223.147 2.117 10 0 BEAERO C[C@@H](CC(=O)NCC1=CC[NH2+]CC1)C(C)(C)C ZINC000169275306 134249800 /nfs/dbraw/zinc/24/98/00/134249800.db2.gz ZLXBKUGDTHQDMS-NSHDSACASA-N 1 0 238.375 2.095 10 0 BEAERO C1=CC[C@H](CCOCC2=[NH+]CCCN2)CC1 ZINC000584651331 358129250 /nfs/dbraw/zinc/12/92/50/358129250.db2.gz WWLIVDJBODFJQF-LBPRGKRZSA-N 1 0 222.332 2.141 10 0 BEAERO OCCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000171065505 134257244 /nfs/dbraw/zinc/25/72/44/134257244.db2.gz HSYYIMPGPCWZOW-LLVKDONJSA-N 1 0 240.372 2.095 10 0 BEAERO [NH3+]CCN1CC[C@@H](C2CC2)c2ccccc21 ZINC000584612713 358276195 /nfs/dbraw/zinc/27/61/95/358276195.db2.gz AZVGEFUCOBUWEJ-LBPRGKRZSA-N 1 0 216.328 2.349 10 0 BEAERO O[C@@H](c1ccccc1[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000584613489 358277530 /nfs/dbraw/zinc/27/75/30/358277530.db2.gz LWBDAKSOQHCXQH-KCJUWKMLSA-N 1 0 245.244 2.359 10 0 BEAERO Cc1ccc(C)c2c1OC[C@H]([C@@H](C)[NH+](C)C)O2 ZINC000584615055 358279439 /nfs/dbraw/zinc/27/94/39/358279439.db2.gz IOCBSRRBFCLPNI-VXGBXAGGSA-N 1 0 235.327 2.393 10 0 BEAERO NC(=[NH2+])c1cccc(CCc2cccnc2)c1 ZINC000584595026 358252208 /nfs/dbraw/zinc/25/22/08/358252208.db2.gz UOTSKAGQYXHAKZ-UHFFFAOYSA-N 1 0 225.295 2.151 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc[nH]1)[C@@H](O)c1ccccc1 ZINC000584596089 358253956 /nfs/dbraw/zinc/25/39/56/358253956.db2.gz MXSFBJQVSIKKTL-BXUZGUMPSA-N 1 0 230.311 2.226 10 0 BEAERO CCCC[C@H]1C[S@](=O)C[C@@H](CCC)[NH2+]1 ZINC000584607373 358267757 /nfs/dbraw/zinc/26/77/57/358267757.db2.gz ZSGAFOHYCGFXFP-UHIISALHSA-N 1 0 217.378 2.066 10 0 BEAERO [NH2+]=C(Cc1ccccc1O)[C@H]1CCCO1 ZINC000584608093 358268578 /nfs/dbraw/zinc/26/85/78/358268578.db2.gz NZEYIYHITYXUHL-GFCCVEGCSA-N 1 0 205.257 2.133 10 0 BEAERO C[N@@H+]1CCCC[C@H]1CN1CC2CCC1CC2 ZINC000584624946 358293566 /nfs/dbraw/zinc/29/35/66/358293566.db2.gz QRJVUEJYNVVXFM-RUXDESIVSA-N 1 0 222.376 2.345 10 0 BEAERO Fc1ccccc1-c1nncn1C1CC[NH2+]CC1 ZINC000584649678 358304349 /nfs/dbraw/zinc/30/43/49/358304349.db2.gz IEKYVGBACTUIAJ-UHFFFAOYSA-N 1 0 246.289 2.009 10 0 BEAERO CCO[C@H](c1ccccc1OC)C1=[NH+]CCCN1 ZINC000584650929 358305471 /nfs/dbraw/zinc/30/54/71/358305471.db2.gz XIOIOLWSOFEWEH-CYBMUJFWSA-N 1 0 248.326 2.165 10 0 BEAERO C[C@H](O)c1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H]1N2C ZINC000584650765 358305813 /nfs/dbraw/zinc/30/58/13/358305813.db2.gz MKSOESVDRVQKQV-COLVAYQJSA-N 1 0 246.354 2.109 10 0 BEAERO COC(=O)[C@@H]1CC[C@H](CCc2ccccc2)[NH2+]C1 ZINC000584631630 358314074 /nfs/dbraw/zinc/31/40/74/358314074.db2.gz FZFOQIJNDDCCLL-KGLIPLIRSA-N 1 0 247.338 2.160 10 0 BEAERO C[N@@H+]1CCC[C@@H]([C@H](O)c2ccccc2)C1 ZINC000584631652 358314243 /nfs/dbraw/zinc/31/42/43/358314243.db2.gz ICUIFJSALYQOQF-CHWSQXEVSA-N 1 0 205.301 2.062 10 0 BEAERO CC[N@@H+]1CC[C@H]([C@@H](O)c2ccccc2)C1 ZINC000584633994 358317982 /nfs/dbraw/zinc/31/79/82/358317982.db2.gz VWFIZHXBKQSZQF-STQMWFEESA-N 1 0 205.301 2.062 10 0 BEAERO CC(C)(C(=[NH2+])c1ccccc1)N1CCOCC1 ZINC000584636045 358320531 /nfs/dbraw/zinc/32/05/31/358320531.db2.gz SUBLQIGHQQPIHV-UHFFFAOYSA-N 1 0 232.327 2.165 10 0 BEAERO O=C1C[C@@H]2CCCC[N@@H+]2[C@@H]2CCCC[C@@H]12 ZINC000584640294 358326100 /nfs/dbraw/zinc/32/61/00/358326100.db2.gz WCDUTRLMENMCKQ-QJPTWQEYSA-N 1 0 207.317 2.373 10 0 BEAERO C[C@@]1(C[NH2+][C@@H]2CCCC[C@H]2O)CCCS1 ZINC000226234490 358336716 /nfs/dbraw/zinc/33/67/16/358336716.db2.gz SJJGCKCKIZZEFR-UTUOFQBUSA-N 1 0 229.389 2.165 10 0 BEAERO COC[C@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000173414382 134274306 /nfs/dbraw/zinc/27/43/06/134274306.db2.gz WRVMWWPXRBFTES-WDEREUQCSA-N 1 0 209.289 2.451 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1cnc2ccccc2n1 ZINC000228271080 358372106 /nfs/dbraw/zinc/37/21/06/358372106.db2.gz MMCKYWFXFHPRAZ-NXEZZACHSA-N 1 0 230.315 2.168 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nccc(C(F)(F)F)n1 ZINC000228270184 358372324 /nfs/dbraw/zinc/37/23/24/358372324.db2.gz GCPOLKVLQSUWMS-RNFRBKRXSA-N 1 0 248.252 2.033 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ncnc2ccccc21 ZINC000228267047 358372374 /nfs/dbraw/zinc/37/23/74/358372374.db2.gz KBNNRVPSCJQGDZ-UWVGGRQHSA-N 1 0 230.315 2.168 10 0 BEAERO CSCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000173606134 134276211 /nfs/dbraw/zinc/27/62/11/134276211.db2.gz RDCNNPNBNVQHHS-UHFFFAOYSA-N 1 0 239.388 2.342 10 0 BEAERO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000230673390 358409026 /nfs/dbraw/zinc/40/90/26/358409026.db2.gz CVLUYBDVDQZINS-YVECIDJPSA-N 1 0 211.349 2.316 10 0 BEAERO c1ccc2c(c1)ncnc2NC[C@@H]1CCC[NH2+]C1 ZINC000044502957 358388490 /nfs/dbraw/zinc/38/84/90/358388490.db2.gz GHIADFIEDFEUME-LLVKDONJSA-N 1 0 242.326 2.041 10 0 BEAERO COC[C@H](C)[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000173983825 134277216 /nfs/dbraw/zinc/27/72/16/134277216.db2.gz SMXBTWSSHVBAFH-STQMWFEESA-N 1 0 248.370 2.235 10 0 BEAERO COC[C@H](C)C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000131901397 491132227 /nfs/dbraw/zinc/13/22/27/491132227.db2.gz YLNNEEZCUKOECY-GFCCVEGCSA-N 1 0 243.391 2.190 10 0 BEAERO CC[NH+](CC)[C@H](C)[C@H](O)c1ccc(OC)cc1 ZINC000044115991 358403871 /nfs/dbraw/zinc/40/38/71/358403871.db2.gz ZADXTHKYPSXLTR-RISCZKNCSA-N 1 0 237.343 2.459 10 0 BEAERO CC(C)CC[C@H]([NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC000310199860 358443634 /nfs/dbraw/zinc/44/36/34/358443634.db2.gz BBPFQZGWIIXTHM-QWHCGFSZSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CCC(=O)[C@H](C[NH+]2CCCCC2)C1 ZINC000053925343 358581056 /nfs/dbraw/zinc/58/10/56/358581056.db2.gz JTTIDDPLJQVLFI-RYUDHWBXSA-N 1 0 209.333 2.478 10 0 BEAERO CCCC[C@H](COC)[NH2+]CC[C@H]1CCCO1 ZINC000131976978 491134373 /nfs/dbraw/zinc/13/43/73/491134373.db2.gz HXVPLFMJDVBPTB-CHWSQXEVSA-N 1 0 229.364 2.350 10 0 BEAERO CCCC[C@@H](COC)[NH2+]CC[C@@H]1CCCO1 ZINC000131976333 491134377 /nfs/dbraw/zinc/13/43/77/491134377.db2.gz HXVPLFMJDVBPTB-STQMWFEESA-N 1 0 229.364 2.350 10 0 BEAERO CCC(=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000231055648 358579358 /nfs/dbraw/zinc/57/93/58/358579358.db2.gz GPXIFVQOOBUGLG-UHFFFAOYSA-N 1 0 215.362 2.183 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392933737 259480260 /nfs/dbraw/zinc/48/02/60/259480260.db2.gz LPFLDZJWSMXMFQ-WYUUTHIRSA-N 1 0 238.375 2.068 10 0 BEAERO CC[C@@H]1CS[C@@H]([C@H]2CCSC2)[NH2+]1 ZINC000300213002 358537496 /nfs/dbraw/zinc/53/74/96/358537496.db2.gz YVFCHCFLXKEWJG-YIZRAAEISA-N 1 0 203.376 2.181 10 0 BEAERO C[C@@H]1CCS[C@H]([C@H]2CCSC2)[NH2+]1 ZINC000300210487 358539156 /nfs/dbraw/zinc/53/91/56/358539156.db2.gz LQLIJEPBHNYBSU-HRDYMLBCSA-N 1 0 203.376 2.181 10 0 BEAERO C[C@@H]([NH2+]CCOC1CCCCC1)[C@H]1CCOC1 ZINC000129958831 358603141 /nfs/dbraw/zinc/60/31/41/358603141.db2.gz ODWRBBXSNPSLHQ-OLZOCXBDSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)CC[C@H](C)[NH2+]CCCn1ccnn1 ZINC000130069609 358606565 /nfs/dbraw/zinc/60/65/65/358606565.db2.gz XMUQLAOTFXLDDK-LBPRGKRZSA-N 1 0 224.352 2.083 10 0 BEAERO c1ccc(C[NH2+][C@H]2CCN3CCC[C@@H]23)cc1 ZINC000224145214 358610768 /nfs/dbraw/zinc/61/07/68/358610768.db2.gz SCTRVPQBVADAOD-KBPBESRZSA-N 1 0 216.328 2.013 10 0 BEAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCF)C1 ZINC000130273612 358615923 /nfs/dbraw/zinc/61/59/23/358615923.db2.gz OKOVFZYGFXIHDK-GFCCVEGCSA-N 1 0 239.338 2.442 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@H](C)CC2CC2)c1 ZINC000130785213 358643628 /nfs/dbraw/zinc/64/36/28/358643628.db2.gz LIUSCTZGCBABGG-SECBINFHSA-N 1 0 237.299 2.344 10 0 BEAERO CC[C@H](COC)[NH2+][C@H](CO)c1sccc1C ZINC000130454082 358626387 /nfs/dbraw/zinc/62/63/87/358626387.db2.gz OYOMEPGBEVEQSV-GHMZBOCLSA-N 1 0 243.372 2.105 10 0 BEAERO COCC[C@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000130446951 358626499 /nfs/dbraw/zinc/62/64/99/358626499.db2.gz KQSKHUQJWQXKAY-QWRGUYRKSA-N 1 0 243.372 2.105 10 0 BEAERO CCN1CCC[C@@H]1C[N@H+](C)CCC(C)C ZINC000175343047 134285805 /nfs/dbraw/zinc/28/58/05/134285805.db2.gz BQMKIPNOAWTTGB-CYBMUJFWSA-N 1 0 212.381 2.449 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000130873279 358650683 /nfs/dbraw/zinc/65/06/83/358650683.db2.gz GVEROQBXUHZDIB-MNOVXSKESA-N 1 0 236.363 2.310 10 0 BEAERO CC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000131030976 358657794 /nfs/dbraw/zinc/65/77/94/358657794.db2.gz ONNXTAHFIVIHKE-VHSXEESVSA-N 1 0 222.336 2.064 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000131276967 358667421 /nfs/dbraw/zinc/66/74/21/358667421.db2.gz QDIUKKIPIGMVOJ-ONGXEEELSA-N 1 0 237.299 2.344 10 0 BEAERO c1ccc2oc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000049320842 358682551 /nfs/dbraw/zinc/68/25/51/358682551.db2.gz SPAYTAIOGBTFKG-LLVKDONJSA-N 1 0 243.310 2.112 10 0 BEAERO COCCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000131938339 358701299 /nfs/dbraw/zinc/70/12/99/358701299.db2.gz SWVAHDGUOUWSEA-ZIAGYGMSSA-N 1 0 241.375 2.040 10 0 BEAERO COCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052011961 358771522 /nfs/dbraw/zinc/77/15/22/358771522.db2.gz GBCFZEXAEYEURJ-AWEZNQCLSA-N 1 0 237.318 2.479 10 0 BEAERO C[N@H+](CCNCc1ccccn1)C1CCCCC1 ZINC000049918460 358707000 /nfs/dbraw/zinc/70/70/00/358707000.db2.gz ZYKZBYKQJMOJNL-UHFFFAOYSA-N 1 0 247.386 2.436 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)c(C)c1 ZINC000050394361 358726199 /nfs/dbraw/zinc/72/61/99/358726199.db2.gz GPNSLEIWCOHGAM-TZMCWYRMSA-N 1 0 246.354 2.233 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1cccs1 ZINC000050394686 358726332 /nfs/dbraw/zinc/72/63/32/358726332.db2.gz RESAWFSTGDUSGT-VHSXEESVSA-N 1 0 238.356 2.067 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cccs1 ZINC000050394687 358726602 /nfs/dbraw/zinc/72/66/02/358726602.db2.gz RESAWFSTGDUSGT-NXEZZACHSA-N 1 0 238.356 2.067 10 0 BEAERO c1c(C[NH2+]C2CC2)[nH]nc1-c1ccccc1 ZINC000050479241 358729951 /nfs/dbraw/zinc/72/99/51/358729951.db2.gz PMUJOIKZRAJTMV-UHFFFAOYSA-N 1 0 213.284 2.329 10 0 BEAERO [NH3+][C@@H]1[C@H](O)c2ccccc2[C@H]2CCCC[C@@H]12 ZINC000389754329 358730553 /nfs/dbraw/zinc/73/05/53/358730553.db2.gz ODVVAFUODGOJKC-QIRAZROLSA-N 1 0 217.312 2.335 10 0 BEAERO CC(C)[C@H]1CCSC(NCC(F)F)=[NH+]1 ZINC000231099317 358741856 /nfs/dbraw/zinc/74/18/56/358741856.db2.gz HMGSHGXVONFVQD-SSDOTTSWSA-N 1 0 222.304 2.359 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000134099322 358779120 /nfs/dbraw/zinc/77/91/20/358779120.db2.gz QMYXRKYRWWEYTE-PRHODGIISA-N 1 0 227.254 2.232 10 0 BEAERO CC(C)(C)OC1CC([NH2+][C@H]2CCCOC2)C1 ZINC000134559853 358795295 /nfs/dbraw/zinc/79/52/95/358795295.db2.gz MYNBKWLBHBKGEW-UNXYVOJBSA-N 1 0 227.348 2.101 10 0 BEAERO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)COC(C)C ZINC000134730200 358803967 /nfs/dbraw/zinc/80/39/67/358803967.db2.gz GPDRKUHNDAHKBL-KBPBESRZSA-N 1 0 243.391 2.427 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cncs1 ZINC000132632050 491137424 /nfs/dbraw/zinc/13/74/24/491137424.db2.gz JGVRKPDWYGORGA-GUBZILKMSA-N 1 0 226.345 2.097 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCC(=O)N1CCCCC1 ZINC000135757039 358848681 /nfs/dbraw/zinc/84/86/81/358848681.db2.gz ANXNKNFDXDSPGV-CYBMUJFWSA-N 1 0 240.391 2.415 10 0 BEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054080052 358850598 /nfs/dbraw/zinc/85/05/98/358850598.db2.gz ALFCJWAAFPVHNW-VXGBXAGGSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC1(C)CCC1 ZINC000640224808 358911627 /nfs/dbraw/zinc/91/16/27/358911627.db2.gz NHVZLTBDKRFCLH-NEPJUHHUSA-N 1 0 211.349 2.269 10 0 BEAERO Brc1cccnc1/C=C1/CC[NH2+]C1 ZINC000306161057 358965861 /nfs/dbraw/zinc/96/58/61/358965861.db2.gz QXEYCYFVJAGTFB-VURMDHGXSA-N 1 0 239.116 2.221 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])C[C@@H]1CCOC1 ZINC000160860323 358970476 /nfs/dbraw/zinc/97/04/76/358970476.db2.gz KHKFTSNGRCEVDH-VHSXEESVSA-N 1 0 211.330 2.483 10 0 BEAERO CS[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C ZINC000300358251 358971688 /nfs/dbraw/zinc/97/16/88/358971688.db2.gz DHUSWVYCHPOCFO-ZRUFSTJUSA-N 1 0 215.362 2.038 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CCCCC1 ZINC000177311114 134299516 /nfs/dbraw/zinc/29/95/16/134299516.db2.gz ZAFBGVKMONASGN-DGCLKSJQSA-N 1 0 248.374 2.151 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1cccs1 ZINC000035736827 358948678 /nfs/dbraw/zinc/94/86/78/358948678.db2.gz VWMURHUMHCYYAZ-NXEZZACHSA-N 1 0 240.372 2.299 10 0 BEAERO CC[C@@]1(C(=O)N[C@@H](C)C2CCCC2)CC[NH2+]C1 ZINC000070307674 359049027 /nfs/dbraw/zinc/04/90/27/359049027.db2.gz SJCOSIKHOQBMQA-SMDDNHRTSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccc(Cl)c([C@H](O)[C@@H](C)C[NH3+])c1 ZINC000306183187 359000012 /nfs/dbraw/zinc/00/00/12/359000012.db2.gz YSHRFHUKGWFDNW-GZMMTYOYSA-N 1 0 213.708 2.277 10 0 BEAERO [NH3+][C@@H](c1ccsn1)[C@@H]1CCCCS1 ZINC000306184751 359002283 /nfs/dbraw/zinc/00/22/83/359002283.db2.gz FBOIDNVUBFRSKC-IUCAKERBSA-N 1 0 214.359 2.429 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ncccc1C(F)(F)F ZINC000070447901 359056357 /nfs/dbraw/zinc/05/63/57/359056357.db2.gz SPLIZVHWVPEISE-VIFPVBQESA-N 1 0 247.264 2.496 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CCCOC1 ZINC000070528884 359058565 /nfs/dbraw/zinc/05/85/65/359058565.db2.gz JVXUBWCXXSGCJC-YPMHNXCESA-N 1 0 233.311 2.136 10 0 BEAERO CCCCC[N@@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000246725528 359159765 /nfs/dbraw/zinc/15/97/65/359159765.db2.gz OTNJEGGTXMEENO-AWEZNQCLSA-N 1 0 242.407 2.219 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000246869123 359171074 /nfs/dbraw/zinc/17/10/74/359171074.db2.gz CVWYNKGSKLAJEI-WOPDTQHZSA-N 1 0 234.347 2.281 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000246869097 359171498 /nfs/dbraw/zinc/17/14/98/359171498.db2.gz CVWYNKGSKLAJEI-UTUOFQBUSA-N 1 0 234.347 2.281 10 0 BEAERO CCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248087884 359252622 /nfs/dbraw/zinc/25/26/22/359252622.db2.gz SYDDIGFZSNQYMV-ZFWWWQNUSA-N 1 0 246.354 2.348 10 0 BEAERO COCCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248165454 359257586 /nfs/dbraw/zinc/25/75/86/359257586.db2.gz SWVAHDGUOUWSEA-UONOGXRCSA-N 1 0 241.375 2.040 10 0 BEAERO Cc1ccc(CN[C@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC000247479208 359223316 /nfs/dbraw/zinc/22/33/16/359223316.db2.gz VZBLLNPKQPHVSA-RISCZKNCSA-N 1 0 236.359 2.406 10 0 BEAERO F[C@H](c1ccsn1)C1CC[NH2+]CC1 ZINC000306214377 359316162 /nfs/dbraw/zinc/31/61/62/359316162.db2.gz YPENWAGIBMALRX-VIFPVBQESA-N 1 0 200.282 2.153 10 0 BEAERO C[C@H]1C[N@H+](CCCCO)[C@H]1c1ccccc1 ZINC000248339484 359265937 /nfs/dbraw/zinc/26/59/37/359265937.db2.gz IEPRMVLFPRAKJU-GXTWGEPZSA-N 1 0 219.328 2.452 10 0 BEAERO C[C@@H]([NH3+])[C@@](C)(F)c1ccc(F)c(F)c1 ZINC000306216067 359323004 /nfs/dbraw/zinc/32/30/04/359323004.db2.gz PCNKCOQDFRIFJO-LHLIQPBNSA-N 1 0 203.207 2.497 10 0 BEAERO Cc1nnc([C@@]2([NH3+])CCC[C@H](C)C2)s1 ZINC000306217510 359331878 /nfs/dbraw/zinc/33/18/78/359331878.db2.gz DCDRXVXHNQAAGT-OIBJUYFYSA-N 1 0 211.334 2.211 10 0 BEAERO C[C@H]1C[NH+]=C(NCCC(C)(F)F)S1 ZINC000306221643 359343573 /nfs/dbraw/zinc/34/35/73/359343573.db2.gz QDNPDQJTIUWKSJ-LURJTMIESA-N 1 0 208.277 2.113 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1CCC(F)(F)C1 ZINC000306222558 359344343 /nfs/dbraw/zinc/34/43/43/359344343.db2.gz XGYRLEQHDHOZKN-UHFFFAOYSA-N 1 0 239.269 2.052 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]CC1(F)CCCC1 ZINC000306232636 359389124 /nfs/dbraw/zinc/38/91/24/359389124.db2.gz DUILJOBAVPRAGE-UWVGGRQHSA-N 1 0 201.285 2.036 10 0 BEAERO Cc1cc(C2(C[NH3+])CC2)ncc1Br ZINC000306276156 359506941 /nfs/dbraw/zinc/50/69/41/359506941.db2.gz RSHFVVQYDJHIAV-UHFFFAOYSA-N 1 0 241.132 2.143 10 0 BEAERO [NH3+]CCC1CCN(c2ccncc2Cl)CC1 ZINC000086840042 359542683 /nfs/dbraw/zinc/54/26/83/359542683.db2.gz QKXWNKSPBYATRX-UHFFFAOYSA-N 1 0 239.750 2.300 10 0 BEAERO Brc1ccc(C=C2C[NH2+]C2)cc1 ZINC000086882143 359582364 /nfs/dbraw/zinc/58/23/64/359582364.db2.gz AXCXKLYWCHOJAC-UHFFFAOYSA-N 1 0 224.101 2.436 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035663 491142942 /nfs/dbraw/zinc/14/29/42/491142942.db2.gz HXXQQPXGOAOECU-ZYHUDNBSSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000309035661 491142975 /nfs/dbraw/zinc/14/29/75/491142975.db2.gz HXXQQPXGOAOECU-JQWIXIFHSA-N 1 0 210.365 2.105 10 0 BEAERO [NH3+][C@@H](c1ccoc1Br)C1=COCC1 ZINC000306369167 359698832 /nfs/dbraw/zinc/69/88/32/359698832.db2.gz IDAQYYQLIUKXFU-MRVPVSSYSA-N 1 0 244.088 2.346 10 0 BEAERO CC(C)C[C@H]1CC[N@@H+]([C@@H]2CCC(=O)C2)C1 ZINC000306402781 359785517 /nfs/dbraw/zinc/78/55/17/359785517.db2.gz FCOHXUYMPCUMBX-VXGBXAGGSA-N 1 0 209.333 2.476 10 0 BEAERO CC[C@H](Cc1cccs1)[NH2+][C@@H]1C[C@H]1CO ZINC000309093626 491144673 /nfs/dbraw/zinc/14/46/73/491144673.db2.gz DCFYGPYYZNILOK-HOSYDEDBSA-N 1 0 225.357 2.040 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CCC1(F)CCC1 ZINC000578880920 366666513 /nfs/dbraw/zinc/66/65/13/366666513.db2.gz OJFVXGZJHKSDCX-SNVBAGLBSA-N 1 0 217.328 2.265 10 0 BEAERO FC(F)(F)[C@@H]1CC[C@H]1[NH2+]C1CSC1 ZINC000306449334 360015519 /nfs/dbraw/zinc/01/55/19/360015519.db2.gz YDALIYLCYSILGP-RNFRBKRXSA-N 1 0 211.252 2.032 10 0 BEAERO C[NH2+]Cc1ccc2c(c1)OCC(C)(C)CO2 ZINC000213056562 360027595 /nfs/dbraw/zinc/02/75/95/360027595.db2.gz JCQBYPDYXLOOOM-UHFFFAOYSA-N 1 0 221.300 2.203 10 0 BEAERO [NH3+][C@@H](Cc1csc(Cl)c1)[C@@H]1CCOC1 ZINC000306471150 360094944 /nfs/dbraw/zinc/09/49/44/360094944.db2.gz RKFBRZROUZXRJB-BDAKNGLRSA-N 1 0 231.748 2.308 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C1CCC1 ZINC000090227138 360067176 /nfs/dbraw/zinc/06/71/76/360067176.db2.gz KOJUOGQFIDNDLE-JOYOIKCWSA-N 1 0 234.347 2.200 10 0 BEAERO [NH3+]CC[C@H](F)c1cc(F)cc(F)c1F ZINC000306474439 360111441 /nfs/dbraw/zinc/11/14/41/360111441.db2.gz VYRTZEKKJDQUJA-ZETCQYMHSA-N 1 0 207.170 2.463 10 0 BEAERO CC[C@H](C)C[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000091796478 360130791 /nfs/dbraw/zinc/13/07/91/360130791.db2.gz DZHLATFNBNEIOG-JTQLQIEISA-N 1 0 239.363 2.215 10 0 BEAERO c1coc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810921 360201219 /nfs/dbraw/zinc/20/12/19/360201219.db2.gz ZUNGPTORLFPKMF-UHFFFAOYSA-N 1 0 231.299 2.382 10 0 BEAERO [NH3+][C@H](c1ccc(Br)o1)C1=COCC1 ZINC000306484321 360159204 /nfs/dbraw/zinc/15/92/04/360159204.db2.gz PSMXOYDQVVNYLD-VIFPVBQESA-N 1 0 244.088 2.346 10 0 BEAERO CC[C@@H](C)C[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000093066661 360213479 /nfs/dbraw/zinc/21/34/79/360213479.db2.gz IEOQKEFEHSHTPG-ZYHUDNBSSA-N 1 0 221.348 2.142 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309440418 491148271 /nfs/dbraw/zinc/14/82/71/491148271.db2.gz IIDFVMYKBQJBBO-MELADBBJSA-N 1 0 222.376 2.249 10 0 BEAERO COC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1 ZINC000306517396 360344369 /nfs/dbraw/zinc/34/43/69/360344369.db2.gz AGPBZMAHNYDWIY-NWDGAFQWSA-N 1 0 207.317 2.447 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000094687862 360316348 /nfs/dbraw/zinc/31/63/48/360316348.db2.gz LVPCFCFYLOLTLQ-ZDUSSCGKSA-N 1 0 235.327 2.129 10 0 BEAERO COc1cc(C2([NH3+])CCCCC2)sn1 ZINC000306532859 360392334 /nfs/dbraw/zinc/39/23/34/360392334.db2.gz GVIXKMARTXUUAR-UHFFFAOYSA-N 1 0 212.318 2.270 10 0 BEAERO C[C@@H](n1cncc1[C@H](C)[NH3+])C(C)(F)F ZINC000306521580 360359184 /nfs/dbraw/zinc/35/91/84/360359184.db2.gz NHVYLSSMWSVWLY-NKWVEPMBSA-N 1 0 203.236 2.119 10 0 BEAERO Cc1c(C[NH3+])ccn1Cc1ccccc1 ZINC000300741693 360436730 /nfs/dbraw/zinc/43/67/30/360436730.db2.gz HVRVLPHQKRYPND-UHFFFAOYSA-N 1 0 200.285 2.304 10 0 BEAERO COC1([C@H]2[NH2+]C[C@@H](C)S2)CCCCC1 ZINC000306536964 360403087 /nfs/dbraw/zinc/40/30/87/360403087.db2.gz KYGOBGDORRYVBI-ZJUUUORDSA-N 1 0 215.362 2.387 10 0 BEAERO COC1([C@@H]2[NH2+]C[C@@H](C)S2)CCCCC1 ZINC000306536961 360403181 /nfs/dbraw/zinc/40/31/81/360403181.db2.gz KYGOBGDORRYVBI-NXEZZACHSA-N 1 0 215.362 2.387 10 0 BEAERO CC[C@]1([C@H]2CCOC2)[NH2+][C@@H](C)CCS1 ZINC000306545437 360414456 /nfs/dbraw/zinc/41/44/56/360414456.db2.gz VXDIKEWZBNMVPI-DCAQKATOSA-N 1 0 215.362 2.244 10 0 BEAERO CS[C@H]1CCCN(C(=[NH2+])C(C)C)C1 ZINC000306551312 360424549 /nfs/dbraw/zinc/42/45/49/360424549.db2.gz ADEXOJVXWMSWPW-VIFPVBQESA-N 1 0 200.351 2.447 10 0 BEAERO C[C@@H]1CC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306558354 360432184 /nfs/dbraw/zinc/43/21/84/360432184.db2.gz OQCVKDFLHBUWIR-ZYHUDNBSSA-N 1 0 217.316 2.099 10 0 BEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1ccsc1Cl ZINC000306588413 360492537 /nfs/dbraw/zinc/49/25/37/360492537.db2.gz NJWKRBXXIFAUDZ-SFYZADRCSA-N 1 0 216.737 2.105 10 0 BEAERO CC[C@@H](NC(N)=[NH2+])c1cccc(Cl)c1 ZINC000306590620 360497597 /nfs/dbraw/zinc/49/75/97/360497597.db2.gz VCUGPQCXRYKEHN-SECBINFHSA-N 1 0 211.696 2.274 10 0 BEAERO CC[C@@]1(C)C[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306576594 360466362 /nfs/dbraw/zinc/46/63/62/360466362.db2.gz KNCGTKTWHVAJGY-JSGCOSHPSA-N 1 0 231.343 2.489 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)c2ccsc2)C[NH2+]1 ZINC000306591261 360504754 /nfs/dbraw/zinc/50/47/54/360504754.db2.gz YJKTUPBTPKDLGA-RKDXNWHRSA-N 1 0 209.314 2.319 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)c2ccsc2)C[NH2+]1 ZINC000306591259 360504840 /nfs/dbraw/zinc/50/48/40/360504840.db2.gz YJKTUPBTPKDLGA-DTWKUNHWSA-N 1 0 209.314 2.319 10 0 BEAERO C[C@@H](NC(N)=[NH2+])c1ccc(Br)s1 ZINC000306595751 360517589 /nfs/dbraw/zinc/51/75/89/360517589.db2.gz YDAOICWJOSHHRE-SCSAIBSYSA-N 1 0 248.149 2.055 10 0 BEAERO C[C@@H]1CSC[C@H]1[NH2+]Cc1sccc1N ZINC000306596804 360518960 /nfs/dbraw/zinc/51/89/60/360518960.db2.gz ZAUVSLSXIULUFP-VXNVDRBHSA-N 1 0 228.386 2.171 10 0 BEAERO Cc1ccc([C@H]2[C@H]([NH3+])CCCN2C)s1 ZINC000069798552 360557314 /nfs/dbraw/zinc/55/73/14/360557314.db2.gz FQRWSNZJFFPWQY-MWLCHTKSSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1ccc([C@@H]2[C@@H]([NH3+])CCCN2C)s1 ZINC000069798554 360557427 /nfs/dbraw/zinc/55/74/27/360557427.db2.gz FQRWSNZJFFPWQY-ONGXEEELSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1ccc([C@@H]2[C@H]([NH3+])CCCN2C)s1 ZINC000069798551 360557726 /nfs/dbraw/zinc/55/77/26/360557726.db2.gz FQRWSNZJFFPWQY-KOLCDFICSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1ccsc1[C@H]1[C@H]([NH3+])CCCN1C ZINC000069798598 360559092 /nfs/dbraw/zinc/55/90/92/360559092.db2.gz YEJWTMZVXQDRQE-NXEZZACHSA-N 1 0 210.346 2.151 10 0 BEAERO C[NH2+][C@H](C)c1ccncc1Br ZINC000238338593 360884418 /nfs/dbraw/zinc/88/44/18/360884418.db2.gz GFHCDVNFANIQAO-ZCFIWIBFSA-N 1 0 215.094 2.125 10 0 BEAERO NC(=S)CC[N@H+](CCc1ccccc1)C1CC1 ZINC000042546650 181315035 /nfs/dbraw/zinc/31/50/35/181315035.db2.gz IPKDAMSNYSPIHC-UHFFFAOYSA-N 1 0 248.395 2.370 10 0 BEAERO CCCCN(C(=O)[C@@H](C)[NH2+]C)c1ccccc1 ZINC000081581324 360943698 /nfs/dbraw/zinc/94/36/98/360943698.db2.gz YJUALWWBHSUWDR-GFCCVEGCSA-N 1 0 234.343 2.428 10 0 BEAERO COc1cc2c(cc1Br)[C@H]([NH3+])CC2 ZINC000238392569 360994372 /nfs/dbraw/zinc/99/43/72/360994372.db2.gz GXKHWXDVLJWSSZ-SECBINFHSA-N 1 0 242.116 2.404 10 0 BEAERO Fc1cccc(F)c1C[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC000238545187 361147134 /nfs/dbraw/zinc/14/71/34/361147134.db2.gz KUSCLFMPJKYYFT-UBJUHAIHSA-N 1 0 209.239 2.115 10 0 BEAERO Clc1ccc(C[C@H]2CCC[NH2+]C2)nc1 ZINC000238566778 361152393 /nfs/dbraw/zinc/15/23/93/361152393.db2.gz FRWQIHOGWLSMBZ-SECBINFHSA-N 1 0 210.708 2.277 10 0 BEAERO [NH3+][C@@H](CF)c1cc2c(cc1Cl)OCO2 ZINC000238575470 361157142 /nfs/dbraw/zinc/15/71/42/361157142.db2.gz SZFJFRPZGRTNRS-ZETCQYMHSA-N 1 0 217.627 2.038 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000306617400 361173277 /nfs/dbraw/zinc/17/32/77/361173277.db2.gz QOGZDRMAFHGVOT-IUCAKERBSA-N 1 0 211.334 2.206 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1cc(Cl)cnc1N ZINC000069943637 361178090 /nfs/dbraw/zinc/17/80/90/361178090.db2.gz PHVAJJONPAGZFQ-RCOVLWMOSA-N 1 0 213.712 2.363 10 0 BEAERO [NH3+]C/C=C/c1cc(Br)cs1 ZINC000069049918 181324898 /nfs/dbraw/zinc/32/48/98/181324898.db2.gz BBFSHEYVILKPAE-OWOJBTEDSA-N 1 0 218.119 2.483 10 0 BEAERO [NH3+][C@@H](c1nc2c(s1)CCCC2)C1CC1 ZINC000041059400 361221371 /nfs/dbraw/zinc/22/13/71/361221371.db2.gz SONKJVIYOOMHOJ-SNVBAGLBSA-N 1 0 208.330 2.432 10 0 BEAERO Cc1cc(CC(=O)[C@H]2CC[C@H]([NH3+])C2)cs1 ZINC000306635913 361384371 /nfs/dbraw/zinc/38/43/71/361384371.db2.gz ANTUWIJQMUQLSE-QWRGUYRKSA-N 1 0 223.341 2.296 10 0 BEAERO [NH3+]C1(c2ccc(O)c(Br)c2)CCC1 ZINC000096877767 181333514 /nfs/dbraw/zinc/33/35/14/181333514.db2.gz LBECIZBAOWYFKV-UHFFFAOYSA-N 1 0 242.116 2.493 10 0 BEAERO [NH3+]C1(c2nc3c(s2)CCCCC3)CC1 ZINC000083345582 181334793 /nfs/dbraw/zinc/33/47/93/181334793.db2.gz DKSIWVWTBMXNOF-UHFFFAOYSA-N 1 0 208.330 2.360 10 0 BEAERO [NH3+]C1(c2nc3cccnc3[nH]2)CCCCC1 ZINC000044264489 181335066 /nfs/dbraw/zinc/33/50/66/181335066.db2.gz ILBKKNIPYHNFPC-UHFFFAOYSA-N 1 0 216.288 2.076 10 0 BEAERO [NH3+]C1(c2noc(Cc3ccccc3)n2)CCCC1 ZINC000041153254 181336278 /nfs/dbraw/zinc/33/62/78/181336278.db2.gz ZSMSOQIJPVNRQV-UHFFFAOYSA-N 1 0 243.310 2.388 10 0 BEAERO [NH3+]C1(c2noc(-c3cccnc3)n2)CCCCC1 ZINC000041153527 181336285 /nfs/dbraw/zinc/33/62/85/181336285.db2.gz OJKUVXABIGEJNH-UHFFFAOYSA-N 1 0 244.298 2.250 10 0 BEAERO CC(C)c1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000041213185 361463965 /nfs/dbraw/zinc/46/39/65/361463965.db2.gz SVTQFGVSHBOYMR-ZDUSSCGKSA-N 1 0 204.317 2.044 10 0 BEAERO [NH3+]C1(c2nncn2-c2ccccc2)CCCCC1 ZINC000054526709 181336594 /nfs/dbraw/zinc/33/65/94/181336594.db2.gz WFPYYVKZFKICHJ-UHFFFAOYSA-N 1 0 242.326 2.385 10 0 BEAERO [NH3+]C12CC3(F)CC(F)(C1)CC(F)(C2)C3 ZINC000000007410 181336795 /nfs/dbraw/zinc/33/67/95/181336795.db2.gz QYMFPRLENUMWKV-UHFFFAOYSA-N 1 0 205.223 2.190 10 0 BEAERO Cc1cc(/C=C\[C@@H]2COCC[NH2+]2)cs1 ZINC000381611715 361495437 /nfs/dbraw/zinc/49/54/37/361495437.db2.gz PHRBUWHJXROODL-OTDNITJGSA-N 1 0 209.314 2.058 10 0 BEAERO [NH3+]C1(c2noc(C(F)(F)F)n2)CCCCC1 ZINC000036765076 181336848 /nfs/dbraw/zinc/33/68/48/181336848.db2.gz AVAJALZMEVIFSD-UHFFFAOYSA-N 1 0 235.209 2.207 10 0 BEAERO C[C@H]([NH2+]CC1(O)CCCC1)c1cncs1 ZINC000133627936 491158472 /nfs/dbraw/zinc/15/84/72/491158472.db2.gz OOKCACXOAFMLGL-VIFPVBQESA-N 1 0 226.345 2.099 10 0 BEAERO Cc1ccc(C[NH2+]Cc2cn[nH]c2)c(C)c1 ZINC000038005569 361513193 /nfs/dbraw/zinc/51/31/93/361513193.db2.gz PMXJKOSFNZYEND-UHFFFAOYSA-N 1 0 215.300 2.316 10 0 BEAERO [NH2+]=C1N[C@@H](C2CCC2)Nc2cccc(F)c21 ZINC000013493542 181339397 /nfs/dbraw/zinc/33/93/97/181339397.db2.gz TWDKMKHCHFFGDT-LBPRGKRZSA-N 1 0 219.263 2.083 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])c1ccncc1Br ZINC000306637881 361585691 /nfs/dbraw/zinc/58/56/91/361585691.db2.gz MPNVPPYKUXDUTH-HZGVNTEJSA-N 1 0 227.105 2.038 10 0 BEAERO Clc1ccc(S[C@@H]2CC[NH2+]C2)nc1 ZINC000070615575 361631503 /nfs/dbraw/zinc/63/15/03/361631503.db2.gz LZNWFAOIJMUMQQ-MRVPVSSYSA-N 1 0 214.721 2.189 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@H]1CC ZINC000310036236 491159838 /nfs/dbraw/zinc/15/98/38/491159838.db2.gz UIRZVRJOFBQUOL-UHTWSYAYSA-N 1 0 226.364 2.022 10 0 BEAERO CC[C@@H]([NH2+]Cc1cnn(C)c1)C(C)(C)C ZINC000163915906 361654394 /nfs/dbraw/zinc/65/43/94/361654394.db2.gz PBNIEDVRRKBZCM-LLVKDONJSA-N 1 0 209.337 2.334 10 0 BEAERO [NH3+]C1CCC([S@@](=O)Cc2ccccc2)CC1 ZINC000055144816 181342690 /nfs/dbraw/zinc/34/26/90/181342690.db2.gz ZUPSMLZQBVPRSV-SEEARECTSA-N 1 0 237.368 2.205 10 0 BEAERO [NH3+]C1CCC([S@@](=O)C2CCCCC2)CC1 ZINC000055144894 181342691 /nfs/dbraw/zinc/34/26/91/181342691.db2.gz YJFWUJSNWFXCBJ-MBRGGSNBSA-N 1 0 229.389 2.338 10 0 BEAERO [NH3+]C[C@@H]1CCO[C@H]1c1ccccc1Cl ZINC000070627256 361680617 /nfs/dbraw/zinc/68/06/17/361680617.db2.gz SFVHTKDCMAAJFU-GZMMTYOYSA-N 1 0 211.692 2.376 10 0 BEAERO [NH3+]C[C@H]1CCO[C@@H]1c1ccccc1Cl ZINC000070627257 361681044 /nfs/dbraw/zinc/68/10/44/361681044.db2.gz SFVHTKDCMAAJFU-KCJUWKMLSA-N 1 0 211.692 2.376 10 0 BEAERO Cc1nn(C2CCC([NH3+])CC2)cc1Cl ZINC000070630473 361684016 /nfs/dbraw/zinc/68/40/16/361684016.db2.gz VTNIINUCCHXEPR-UHFFFAOYSA-N 1 0 213.712 2.287 10 0 BEAERO [NH3+]C1CCC(Oc2ccc3c(c2)OCO3)CC1 ZINC000055144068 181342772 /nfs/dbraw/zinc/34/27/72/181342772.db2.gz ZUEFFSMRGNAYRF-UHFFFAOYSA-N 1 0 235.283 2.064 10 0 BEAERO NC(=S)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070663589 361707676 /nfs/dbraw/zinc/70/76/76/361707676.db2.gz IWDZVHRSDWROAK-GFCCVEGCSA-N 1 0 234.368 2.185 10 0 BEAERO Brc1ccccc1NCC1C[NH2+]C1 ZINC000217131753 363985060 /nfs/dbraw/zinc/98/50/60/363985060.db2.gz ZCSWZCNBOMQLRF-UHFFFAOYSA-N 1 0 241.132 2.080 10 0 BEAERO Cc1c(C[NH2+]C2CCC2)ccc2c1OCCO2 ZINC000725263902 541337035 /nfs/dbraw/zinc/33/70/35/541337035.db2.gz AOXNTAVYBKMFOF-UHFFFAOYSA-N 1 0 233.311 2.408 10 0 BEAERO CCC(C)(C)NC(=O)NC1CCC(C)([NH3+])CC1 ZINC000725263350 541337229 /nfs/dbraw/zinc/33/72/29/541337229.db2.gz QJFDTWJDXKGKBR-UHFFFAOYSA-N 1 0 241.379 2.134 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630532155 364221931 /nfs/dbraw/zinc/22/19/31/364221931.db2.gz FFGGYUHUBBFUKH-PWSUYJOCSA-N 1 0 248.374 2.461 10 0 BEAERO c1ccc2c(c1)ccnc2NCC12CC(C1)C[NH2+]2 ZINC000630518020 364203115 /nfs/dbraw/zinc/20/31/15/364203115.db2.gz CSZWWZQZPPLFCI-UHFFFAOYSA-N 1 0 239.322 2.399 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccc2occc21 ZINC000630526308 364213180 /nfs/dbraw/zinc/21/31/80/364213180.db2.gz SJTCOFFJPNYSPX-WDEREUQCSA-N 1 0 231.299 2.380 10 0 BEAERO C[C@H]1CC[C@H](N=c2[nH]c3ccccc3s2)C[NH2+]1 ZINC000630532052 364220395 /nfs/dbraw/zinc/22/03/95/364220395.db2.gz FIXYRHREXIVSJA-UWVGGRQHSA-N 1 0 247.367 2.271 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000630544378 364238935 /nfs/dbraw/zinc/23/89/35/364238935.db2.gz HFZMNYTVMAGBNQ-IONNQARKSA-N 1 0 245.248 2.263 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000630546773 364240048 /nfs/dbraw/zinc/24/00/48/364240048.db2.gz VVCMNHODYVDLPT-IONNQARKSA-N 1 0 245.248 2.263 10 0 BEAERO Cc1nc(N2CCCCC[C@@H]([NH3+])C2)sc1C ZINC000630549313 364242296 /nfs/dbraw/zinc/24/22/96/364242296.db2.gz MUVCMLAUPWIHBZ-LLVKDONJSA-N 1 0 239.388 2.468 10 0 BEAERO [NH3+][C@@H]1CCCCCN(c2ccncc2Cl)C1 ZINC000630550765 364243913 /nfs/dbraw/zinc/24/39/13/364243913.db2.gz ULLQJJOWOBLRJL-SNVBAGLBSA-N 1 0 239.750 2.443 10 0 BEAERO CCCc1nccnc1N1CCCCC[C@@H]([NH3+])C1 ZINC000630550921 364245060 /nfs/dbraw/zinc/24/50/60/364245060.db2.gz ZKKQAENGPGSSPB-GFCCVEGCSA-N 1 0 248.374 2.137 10 0 BEAERO [NH3+]CC1(C(=O)Nc2ccccc2Cl)CC1 ZINC000077337659 181359366 /nfs/dbraw/zinc/35/93/66/181359366.db2.gz WJYHTODHLQRPAZ-UHFFFAOYSA-N 1 0 224.691 2.017 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](N=c2[nH]c3ccccc3o2)CC1 ZINC000630558182 364257803 /nfs/dbraw/zinc/25/78/03/364257803.db2.gz XTSPVRYAFDFGMW-XYPYZODXSA-N 1 0 245.326 2.179 10 0 BEAERO [NH3+]CC1(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000077391375 181359627 /nfs/dbraw/zinc/35/96/27/181359627.db2.gz LHANRRNVTJAJNG-UHFFFAOYSA-N 1 0 242.681 2.157 10 0 BEAERO [NH3+]CC1(Cc2ccsc2)CCOCC1 ZINC000061673956 181359923 /nfs/dbraw/zinc/35/99/23/181359923.db2.gz NZXWVORSRXOABU-UHFFFAOYSA-N 1 0 211.330 2.046 10 0 BEAERO [NH3+]CC1([NH3+])CCC(c2ccccc2)CC1 ZINC000035676996 181359980 /nfs/dbraw/zinc/35/99/80/181359980.db2.gz WMSSLSOXQYDRIZ-UHFFFAOYSA-N 1 0 204.317 2.000 10 0 BEAERO [NH3+][C@@H](CCNc1ccccn1)Cc1ccccc1 ZINC000630572278 364268781 /nfs/dbraw/zinc/26/87/81/364268781.db2.gz QOCVVMHQJXSCJR-AWEZNQCLSA-N 1 0 241.338 2.454 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ncccc2Cl)C[NH2+]1 ZINC000630533656 364225814 /nfs/dbraw/zinc/22/58/14/364225814.db2.gz FRNKEWJRYAENQL-BDAKNGLRSA-N 1 0 225.723 2.287 10 0 BEAERO C[C@@H]1CN(c2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000630574992 364273883 /nfs/dbraw/zinc/27/38/83/364273883.db2.gz WJHDHGKKPOJWPU-NXEZZACHSA-N 1 0 247.367 2.327 10 0 BEAERO [NH3+]CC1(Cc2cccs2)CCOCC1 ZINC000061673927 181360392 /nfs/dbraw/zinc/36/03/92/181360392.db2.gz LPNKZXYXTKUNBB-UHFFFAOYSA-N 1 0 211.330 2.046 10 0 BEAERO CN(C(=O)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000037623106 364338614 /nfs/dbraw/zinc/33/86/14/364338614.db2.gz CAPKLWUDJLBHAF-UHFFFAOYSA-N 1 0 238.375 2.295 10 0 BEAERO COc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037623232 364338846 /nfs/dbraw/zinc/33/88/46/364338846.db2.gz UGYZVHDIKRLIHT-UHFFFAOYSA-N 1 0 248.326 2.151 10 0 BEAERO [NH3+]C1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000037623138 364338880 /nfs/dbraw/zinc/33/88/80/364338880.db2.gz BGBNNFIRAZSUOV-UHFFFAOYSA-N 1 0 236.290 2.282 10 0 BEAERO [NH3+]CC1(O)CCC(c2ccccc2)CC1 ZINC000035278975 181361316 /nfs/dbraw/zinc/36/13/16/181361316.db2.gz WDADYAOKCUJDNL-UHFFFAOYSA-N 1 0 205.301 2.034 10 0 BEAERO [NH3+]CC1(c2ccccc2)CCC(=O)CC1 ZINC000044249122 181362665 /nfs/dbraw/zinc/36/26/65/181362665.db2.gz LPFXJNOQWFQIFT-UHFFFAOYSA-N 1 0 203.285 2.026 10 0 BEAERO [NH3+]CC1(c2nc3cc(F)ccc3o2)CCC1 ZINC000096872487 181363648 /nfs/dbraw/zinc/36/36/48/181363648.db2.gz NJDXPPXNRBPACC-UHFFFAOYSA-N 1 0 220.247 2.347 10 0 BEAERO [NH3+]CC1(c2csc(C3CC3)n2)CCC1 ZINC000083288346 181363739 /nfs/dbraw/zinc/36/37/39/181363739.db2.gz PMJHYUHDMYGFEV-UHFFFAOYSA-N 1 0 208.330 2.401 10 0 BEAERO CC(C)C[C@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868576 364546647 /nfs/dbraw/zinc/54/66/47/364546647.db2.gz DJFDXFVSDUOVMQ-QWHCGFSZSA-N 1 0 240.391 2.221 10 0 BEAERO C[NH+](C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000170868215 364546923 /nfs/dbraw/zinc/54/69/23/364546923.db2.gz DKSSMZLUGUBYSJ-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO CC(C)C[C@@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868575 364546989 /nfs/dbraw/zinc/54/69/89/364546989.db2.gz DJFDXFVSDUOVMQ-CHWSQXEVSA-N 1 0 240.391 2.221 10 0 BEAERO CC(C)C[C@@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868571 364547055 /nfs/dbraw/zinc/54/70/55/364547055.db2.gz DJFDXFVSDUOVMQ-OLZOCXBDSA-N 1 0 240.391 2.221 10 0 BEAERO [NH3+]CCC(=O)c1cc(Cl)ccc1F ZINC000082592118 181370085 /nfs/dbraw/zinc/37/00/85/181370085.db2.gz DIFPHMSBHMHFHX-UHFFFAOYSA-N 1 0 201.628 2.011 10 0 BEAERO [NH3+]CCC(=O)c1cc(Br)cs1 ZINC000071543370 181370093 /nfs/dbraw/zinc/37/00/93/181370093.db2.gz YKHGVYSDFNZQTQ-UHFFFAOYSA-N 1 0 234.118 2.042 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000328001470 364804749 /nfs/dbraw/zinc/80/47/49/364804749.db2.gz NYQLRYAROSMJKO-WXRRBKDZSA-N 1 0 223.360 2.460 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000328145137 364812366 /nfs/dbraw/zinc/81/23/66/364812366.db2.gz AGKNNKXHZRLTCV-AAEUAGOBSA-N 1 0 238.400 2.363 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCN(CC)C2)s1 ZINC000328177179 364814807 /nfs/dbraw/zinc/81/48/07/364814807.db2.gz LOVJYCDSOXCADC-LLVKDONJSA-N 1 0 238.400 2.494 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000328205506 364818897 /nfs/dbraw/zinc/81/88/97/364818897.db2.gz TXNPRKVWLQSSHG-CHWSQXEVSA-N 1 0 236.359 2.285 10 0 BEAERO [NH3+]CCCCOc1ccc(F)cc1F ZINC000019386611 181378078 /nfs/dbraw/zinc/37/80/78/181378078.db2.gz ADFIEROGTMIDJU-UHFFFAOYSA-N 1 0 201.216 2.083 10 0 BEAERO [NH3+]CCCN1c2cccc3cccc(c23)C1=O ZINC000019519455 181379912 /nfs/dbraw/zinc/37/99/12/181379912.db2.gz CAQYGNRCACEKGU-UHFFFAOYSA-N 1 0 226.279 2.149 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252545763 541450035 /nfs/dbraw/zinc/45/00/35/541450035.db2.gz JRLOWOSKDNLSAZ-MCIONIFRSA-N 1 0 246.354 2.352 10 0 BEAERO [NH3+]CCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000127405898 181384052 /nfs/dbraw/zinc/38/40/52/181384052.db2.gz UIZSDROUHDAPBK-GFCCVEGCSA-N 1 0 224.735 2.266 10 0 BEAERO [NH3+]CCCOc1ccc(F)c(Cl)c1 ZINC000055346052 181384831 /nfs/dbraw/zinc/38/48/31/181384831.db2.gz KUYNUWMWSJLWBC-UHFFFAOYSA-N 1 0 203.644 2.207 10 0 BEAERO [NH3+]CCC[C@H]1C(=O)Nc2c1cccc2Cl ZINC000106974534 181385902 /nfs/dbraw/zinc/38/59/02/181385902.db2.gz ADMABNHZKKQQCE-MRVPVSSYSA-N 1 0 224.691 2.115 10 0 BEAERO [NH3+]CCCc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000036876219 181387760 /nfs/dbraw/zinc/38/77/60/181387760.db2.gz QPEFSBCKTWWRID-UHFFFAOYSA-N 1 0 219.263 2.107 10 0 BEAERO [NH3+]CCNc1ccc(Cl)c(Cl)c1 ZINC000019732758 181398411 /nfs/dbraw/zinc/39/84/11/181398411.db2.gz OQPNJMXFIQFACK-UHFFFAOYSA-N 1 0 205.088 2.364 10 0 BEAERO [NH3+]CCOCc1ccc(F)cc1Br ZINC000051864465 181399102 /nfs/dbraw/zinc/39/91/02/181399102.db2.gz UTYQGQZBQNWBDI-UHFFFAOYSA-N 1 0 248.095 2.064 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125053361 541451957 /nfs/dbraw/zinc/45/19/57/541451957.db2.gz OGQQJKIKEOZTNF-NEPJUHHUSA-N 1 0 226.364 2.153 10 0 BEAERO [NH3+]CCc1cnc(C(F)(F)F)cc1Cl ZINC000095768373 181412976 /nfs/dbraw/zinc/41/29/76/181412976.db2.gz DRSJRGHYTBBZPD-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]CCc1noc(-c2c(F)cccc2Cl)n1 ZINC000041061999 181414933 /nfs/dbraw/zinc/41/49/33/181414933.db2.gz XFESVQQSLAKQHX-UHFFFAOYSA-N 1 0 241.653 2.030 10 0 BEAERO [NH3+]C[C@@H](Cc1cccnc1)c1ccccc1 ZINC000011570488 181418901 /nfs/dbraw/zinc/41/89/01/181418901.db2.gz KBGMITKERXLSSV-CQSZACIVSA-N 1 0 212.296 2.367 10 0 BEAERO CCN(Cc1nnc(C(C)C)n1C)CC1CC1 ZINC000171973865 365264467 /nfs/dbraw/zinc/26/44/67/365264467.db2.gz SSAKUQYXXAYRFI-UHFFFAOYSA-N 1 0 236.363 2.170 10 0 BEAERO c1coc([C@H]2CCCN2Cc2ncccn2)c1 ZINC000192028853 365270800 /nfs/dbraw/zinc/27/08/00/365270800.db2.gz SUMVSCVLSJLTJI-LLVKDONJSA-N 1 0 229.283 2.407 10 0 BEAERO C[C@H]([NH3+])[C@H]1COc2c(F)cc(Cl)cc2C1 ZINC000675063313 541464633 /nfs/dbraw/zinc/46/46/33/541464633.db2.gz CBGFJSIKHQFCAJ-POYBYMJQSA-N 1 0 229.682 2.377 10 0 BEAERO C[C@H]([NH3+])[C@@H]1COc2ccc(Cl)cc2C1 ZINC000675063796 541465085 /nfs/dbraw/zinc/46/50/85/541465085.db2.gz PACYWYCIUTWDAK-CBAPKCEASA-N 1 0 211.692 2.238 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367683043 367087924 /nfs/dbraw/zinc/08/79/24/367087924.db2.gz BYTDJABDGANCOQ-POQQGIQPSA-N 1 0 223.360 2.437 10 0 BEAERO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367704342 367089025 /nfs/dbraw/zinc/08/90/25/367089025.db2.gz FHVMSLBDPGKYQV-WISYIIOYSA-N 1 0 209.333 2.047 10 0 BEAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1C[C@H]1CO ZINC000380284351 367170935 /nfs/dbraw/zinc/17/09/35/367170935.db2.gz ZPBVAXWEXZZEOX-WCQYABFASA-N 1 0 213.365 2.418 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000382098570 367485875 /nfs/dbraw/zinc/48/58/75/367485875.db2.gz AZQBVTRWFWDFIZ-IJLUTSLNSA-N 1 0 209.333 2.476 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000382480161 367529411 /nfs/dbraw/zinc/52/94/11/367529411.db2.gz WFDMVUMEPOLADR-QWRGUYRKSA-N 1 0 242.326 2.169 10 0 BEAERO CC1(C)[C@@H]([NH2+]C2CC(F)(F)C2)[C@@H]2CCO[C@@H]21 ZINC000382284482 367504255 /nfs/dbraw/zinc/50/42/55/367504255.db2.gz JORHBYPAMPLLNM-GUBZILKMSA-N 1 0 231.286 2.187 10 0 BEAERO [NH3+]CC[C@H](Nc1ncccc1Cl)C(F)F ZINC000383485691 367627138 /nfs/dbraw/zinc/62/71/38/367627138.db2.gz PCHGNHPFRLYKBH-ZETCQYMHSA-N 1 0 235.665 2.129 10 0 BEAERO CC(C)CN(C(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000384284575 367681999 /nfs/dbraw/zinc/68/19/99/367681999.db2.gz VCUTYROAOKNMDS-WCQYABFASA-N 1 0 238.375 2.022 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1n1ccc(C(F)(F)F)n1 ZINC000043298362 181432813 /nfs/dbraw/zinc/43/28/13/181432813.db2.gz VFVQGQFLMHNNKT-JGVFFNPUSA-N 1 0 233.237 2.202 10 0 BEAERO CC[NH2+][C@H](C)[C@@H]1SCCS[C@H]1C ZINC000252719455 367828894 /nfs/dbraw/zinc/82/88/94/367828894.db2.gz HZMKHTZVNRULIO-VGMNWLOBSA-N 1 0 205.392 2.222 10 0 BEAERO COc1c(C[NH2+][C@H]2CC23CCCC3)c(C)nn1C ZINC000386901910 368032794 /nfs/dbraw/zinc/03/27/94/368032794.db2.gz LYRACLPTZXSWMB-LBPRGKRZSA-N 1 0 249.358 2.159 10 0 BEAERO C[C@H]1C[N@H+](C[C@H]2CCCCC2=O)CCS1 ZINC000252980716 368176857 /nfs/dbraw/zinc/17/68/57/368176857.db2.gz NSNAJGSINAMNIW-WDEREUQCSA-N 1 0 227.373 2.183 10 0 BEAERO C[C@H](CN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000399551609 368178566 /nfs/dbraw/zinc/17/85/66/368178566.db2.gz AAYLCTUNKANFJN-WOPDTQHZSA-N 1 0 240.391 2.254 10 0 BEAERO CC[NH2+][C@H](C)CNc1ncnc2sccc21 ZINC000387461502 368213668 /nfs/dbraw/zinc/21/36/68/368213668.db2.gz PYMXJAOIEDOGSK-MRVPVSSYSA-N 1 0 236.344 2.101 10 0 BEAERO CC(=O)Nc1cccc(C(=O)[C@H](C)[NH2+]C(C)C)c1 ZINC000033638438 368320804 /nfs/dbraw/zinc/32/08/04/368320804.db2.gz CIYUJYPWSOZEMA-JTQLQIEISA-N 1 0 248.326 2.214 10 0 BEAERO CC(C)([NH3+])Cc1cc(F)c(F)cc1F ZINC000231440146 368369211 /nfs/dbraw/zinc/36/92/11/368369211.db2.gz ZTLGCDYFGXELRC-UHFFFAOYSA-N 1 0 203.207 2.384 10 0 BEAERO CC(C)CC[N@@H+]1CCc2ccc(N)c(N)c2C1 ZINC000038436205 368326627 /nfs/dbraw/zinc/32/66/27/368326627.db2.gz XUGXPXLEKKGEEM-UHFFFAOYSA-N 1 0 233.359 2.255 10 0 BEAERO [NH3+]CCc1n[nH]c2ccc(C(F)(F)F)cc21 ZINC000216387677 368362214 /nfs/dbraw/zinc/36/22/14/368362214.db2.gz OJQVZILNLSXRSS-UHFFFAOYSA-N 1 0 229.205 2.083 10 0 BEAERO CCC[C@H]1[NH2+]CCN2CCNc3cccc1c32 ZINC000224595987 368366337 /nfs/dbraw/zinc/36/63/37/368366337.db2.gz PEHPQLMKTRVFLZ-GFCCVEGCSA-N 1 0 231.343 2.363 10 0 BEAERO C[C@H]([NH3+])c1nn(C)c2c1cccc2Cl ZINC000107449094 368489275 /nfs/dbraw/zinc/48/92/75/368489275.db2.gz VZZANOOMKCPQQS-LURJTMIESA-N 1 0 209.680 2.246 10 0 BEAERO C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000000346678 368539601 /nfs/dbraw/zinc/53/96/01/368539601.db2.gz ISGZTZNRWOQFNW-UHFFFAOYSA-N 1 0 221.275 2.350 10 0 BEAERO CCOC(=O)C1CC[NH+]([C@@H](C)C(C)C)CC1 ZINC000259645390 370927952 /nfs/dbraw/zinc/92/79/52/370927952.db2.gz IXAGGSOUHJTCKK-NSHDSACASA-N 1 0 227.348 2.306 10 0 BEAERO C[NH+](C)CC[C@H](O)c1cc(-c2ccccc2)no1 ZINC000002029653 368740450 /nfs/dbraw/zinc/74/04/50/368740450.db2.gz KWJLXLLJFQTXHJ-ZDUSSCGKSA-N 1 0 246.310 2.327 10 0 BEAERO CCO[C@@H](C1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000002010280 368734446 /nfs/dbraw/zinc/73/44/46/368734446.db2.gz QQBOGZMGQOAYOZ-ZYHUDNBSSA-N 1 0 218.300 2.154 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000085637647 368867557 /nfs/dbraw/zinc/86/75/57/368867557.db2.gz GAIKMRXLJLWJHI-IHRRRGAJSA-N 1 0 246.354 2.293 10 0 BEAERO C[C@@H]([NH2+]CC(=O)N1CCCCC1)C(C)(C)C ZINC000114196946 368930372 /nfs/dbraw/zinc/93/03/72/368930372.db2.gz FKRBHQUKNWTWHQ-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO [NH3+][C@@H]1COc2cccc(-c3cccnc3)c2C1 ZINC000114691137 368947100 /nfs/dbraw/zinc/94/71/00/368947100.db2.gz GOVSOQLVHHGISJ-NSHDSACASA-N 1 0 226.279 2.011 10 0 BEAERO C[C@H](c1nc2c(c(=O)[nH]1)CC(C)(C)CC2)N(C)C ZINC000114721440 368949178 /nfs/dbraw/zinc/94/91/78/368949178.db2.gz ZBKWRYXQSRLFPS-SECBINFHSA-N 1 0 249.358 2.320 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH3+])CC(C)(C)C2=O ZINC000114854652 368956663 /nfs/dbraw/zinc/95/66/63/368956663.db2.gz OUESEJKQHNDBKF-LLVKDONJSA-N 1 0 219.284 2.308 10 0 BEAERO CCc1ccc(F)c(CC)c1CC1=[NH+]CCN1 ZINC000114909469 368957511 /nfs/dbraw/zinc/95/75/11/368957511.db2.gz RQQROTYYYVWPPA-UHFFFAOYSA-N 1 0 234.318 2.495 10 0 BEAERO C[C@@H]1SCCS[C@@H]1[C@H]([NH3+])C1CCC1 ZINC000161460499 369095476 /nfs/dbraw/zinc/09/54/76/369095476.db2.gz BOXVJSWYJTZBQF-SFGNSQDASA-N 1 0 217.403 2.351 10 0 BEAERO [NH3+]C[C@@]1(CO)C[C@@H]1c1c(Cl)cccc1Cl ZINC000070500424 181441941 /nfs/dbraw/zinc/44/19/41/181441941.db2.gz TWNYIEFGMCVKNA-RDDDGLTNSA-N 1 0 246.137 2.418 10 0 BEAERO [NH3+]C[C@H](O)c1cc2cccc(Cl)c2o1 ZINC000082964463 181451353 /nfs/dbraw/zinc/45/13/53/181451353.db2.gz JWYXPTOZKCLOJY-QMMMGPOBSA-N 1 0 211.648 2.078 10 0 BEAERO CC[N@H+](Cc1ncccc1C(=O)OC)C1CCC1 ZINC000459379169 203271007 /nfs/dbraw/zinc/27/10/07/203271007.db2.gz RFAFQYDUEURQDO-UHFFFAOYSA-N 1 0 248.326 2.243 10 0 BEAERO C(c1noc2c1CCCC2)[NH+]1CCCC1 ZINC000108850222 369411516 /nfs/dbraw/zinc/41/15/16/369411516.db2.gz MNDAEYGIGZGVJY-UHFFFAOYSA-N 1 0 206.289 2.149 10 0 BEAERO [NH3+]Cc1ccc(C(=O)Nc2cccc(F)c2)o1 ZINC000011628137 181481206 /nfs/dbraw/zinc/48/12/06/181481206.db2.gz IACPVXMYNMMPIM-UHFFFAOYSA-N 1 0 234.230 2.130 10 0 BEAERO CCCCNC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459781145 203367181 /nfs/dbraw/zinc/36/71/81/203367181.db2.gz WBFJHJXRGUJHDJ-UHFFFAOYSA-N 1 0 238.375 2.215 10 0 BEAERO [NH3+]Cc1ccc(OCc2ncccn2)c(Cl)c1 ZINC000054458127 181485405 /nfs/dbraw/zinc/48/54/05/181485405.db2.gz UOWXGKNACHNLBM-UHFFFAOYSA-N 1 0 249.701 2.168 10 0 BEAERO [NH3+]Cc1ccc(O[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000043477357 181485796 /nfs/dbraw/zinc/48/57/96/181485796.db2.gz UXTKDIUQLXCYCL-JQWIXIFHSA-N 1 0 241.718 2.091 10 0 BEAERO OCCc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000215287161 370418361 /nfs/dbraw/zinc/41/83/61/370418361.db2.gz CYKDNBOKIVXLER-CYBMUJFWSA-N 1 0 205.301 2.036 10 0 BEAERO c1cn(C2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000113932926 370515815 /nfs/dbraw/zinc/51/58/15/370515815.db2.gz QLNLFUAELHBSFU-UHFFFAOYSA-N 1 0 219.332 2.368 10 0 BEAERO CC1(C)[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@@H]2CCO[C@H]21 ZINC000621734637 370491777 /nfs/dbraw/zinc/49/17/77/370491777.db2.gz RHFRJDTYYSVHHN-LMLFDSFASA-N 1 0 245.313 2.435 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cccc(CCO)c2)C1 ZINC000216070273 370592207 /nfs/dbraw/zinc/59/22/07/370592207.db2.gz ZXYKCCIKQBXWFN-CQSZACIVSA-N 1 0 219.328 2.031 10 0 BEAERO C(=C\c1ccccc1)\CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255753282 370598801 /nfs/dbraw/zinc/59/88/01/370598801.db2.gz DZTMROKQUCQRHH-LWAXHKBTSA-N 1 0 242.366 2.480 10 0 BEAERO C[C@@H]1CN[C@@H](c2nccs2)SC1 ZINC000161612149 370603156 /nfs/dbraw/zinc/60/31/56/370603156.db2.gz GUOUUISSVXVLRR-HTRCEHHLSA-N 1 0 200.332 2.114 10 0 BEAERO C[C@@H]1CN[C@H](c2cncs2)SC1 ZINC000161612368 370604664 /nfs/dbraw/zinc/60/46/64/370604664.db2.gz HIXVKZOIPQVNKJ-SVRRBLITSA-N 1 0 200.332 2.114 10 0 BEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000078642185 370583069 /nfs/dbraw/zinc/58/30/69/370583069.db2.gz NDKHNGAJTAXILL-ZFWWWQNUSA-N 1 0 248.370 2.058 10 0 BEAERO CC(C)(C)CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000313471100 370590365 /nfs/dbraw/zinc/59/03/65/370590365.db2.gz PIEHLFCLADXMRS-LBPRGKRZSA-N 1 0 240.391 2.319 10 0 BEAERO CC(C)[C@H]1C[NH2+]CC[C@H]1c1nccs1 ZINC000161793416 371139786 /nfs/dbraw/zinc/13/97/86/371139786.db2.gz FEMBOCQOGZILNR-NXEZZACHSA-N 1 0 210.346 2.492 10 0 BEAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1cncnc1 ZINC000052886985 181555586 /nfs/dbraw/zinc/55/55/86/181555586.db2.gz ITKKUUDDAMQBFS-LBPRGKRZSA-N 1 0 233.702 2.373 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000006580464 181556695 /nfs/dbraw/zinc/55/66/95/181556695.db2.gz USTQWSXTPXSCQL-HNNXBMFYSA-N 1 0 239.318 2.368 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1Cl)c1ncccn1 ZINC000037467278 181557533 /nfs/dbraw/zinc/55/75/33/181557533.db2.gz YOSYSVUCUDLFJS-NSHDSACASA-N 1 0 233.702 2.373 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000037466725 181557990 /nfs/dbraw/zinc/55/79/90/181557990.db2.gz YGCIGOXVLDVJHX-NWDGAFQWSA-N 1 0 223.291 2.265 10 0 BEAERO [NH3+][C@@H](c1ccc(F)cc1F)[C@H]1CCOC1 ZINC000040942069 181562710 /nfs/dbraw/zinc/56/27/10/181562710.db2.gz JYMMFUUZDJKQGE-WRWORJQWSA-N 1 0 213.227 2.001 10 0 BEAERO [NH3+][C@@H]1CCCCC[C@@H]1OCC1CCOCC1 ZINC000052150614 181573900 /nfs/dbraw/zinc/57/39/00/181573900.db2.gz BIYWWBADZCFQRT-OLZOCXBDSA-N 1 0 227.348 2.090 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(Cc2ccccc2)no1 ZINC000104055931 181584677 /nfs/dbraw/zinc/58/46/77/181584677.db2.gz NCFYSBBXWFRULO-VXGBXAGGSA-N 1 0 243.310 2.255 10 0 BEAERO [NH3+][C@@H]1CCCc2ccc(Cl)cc2[C@H]1O ZINC000019795572 181586109 /nfs/dbraw/zinc/58/61/09/181586109.db2.gz PGZGJVAXNJLLBI-GHMZBOCLSA-N 1 0 211.692 2.037 10 0 BEAERO [NH3+][C@@H]1CCC[S@@](=O)c2c(Cl)cccc21 ZINC000040973855 181586509 /nfs/dbraw/zinc/58/65/09/181586509.db2.gz BASJHFHBNVWQNC-OTYXRUKQSA-N 1 0 229.732 2.241 10 0 BEAERO [NH3+][C@H](COC[C@@H]1CCCCO1)c1ccccc1 ZINC000019268775 181621475 /nfs/dbraw/zinc/62/14/75/181621475.db2.gz DTUISGFGHVXWRI-UONOGXRCSA-N 1 0 235.327 2.272 10 0 BEAERO [NH3+][C@H](Cc1ccncc1)c1ccc(F)cc1 ZINC000053134695 181626933 /nfs/dbraw/zinc/62/69/33/181626933.db2.gz FYXPPLRWOBNPCR-CYBMUJFWSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@H](Cc1cccs1)c1cscn1 ZINC000082374055 181627043 /nfs/dbraw/zinc/62/70/43/181627043.db2.gz CSIWMQJBPFJUOB-MRVPVSSYSA-N 1 0 210.327 2.447 10 0 BEAERO [NH3+][C@H](Cc1ccccn1)c1ccccc1F ZINC000020429132 181627321 /nfs/dbraw/zinc/62/73/21/181627321.db2.gz MGYXVXSZAHLGDM-CYBMUJFWSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@H]1CC[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000070636669 181653867 /nfs/dbraw/zinc/65/38/67/181653867.db2.gz FXVFCXDFWDTTPG-ONGXEEELSA-N 1 0 219.284 2.053 10 0 BEAERO [NH3+][C@H](c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000062230350 181630536 /nfs/dbraw/zinc/63/05/36/181630536.db2.gz VYHZUGCELDZRAI-ZYHUDNBSSA-N 1 0 209.264 2.252 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc(Cl)cn1 ZINC000038051029 181642335 /nfs/dbraw/zinc/64/23/35/181642335.db2.gz OKQUGTIISLZBDT-VHSXEESVSA-N 1 0 225.723 2.417 10 0 BEAERO [NH3+][C@H]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000033867557 181648460 /nfs/dbraw/zinc/64/84/60/181648460.db2.gz DAZNTCWAWDDQMO-KBPBESRZSA-N 1 0 219.328 2.206 10 0 BEAERO Nc1cc(F)ccc1SC[C@H]1CC[NH2+]C1 ZINC000051891119 181688285 /nfs/dbraw/zinc/68/82/85/181688285.db2.gz KKJJTEXVBVFNFW-QMMMGPOBSA-N 1 0 226.320 2.110 10 0 BEAERO C[C@@H](Cc1cccs1)[NH2+]CC1CC(O)C1 ZINC000624215683 371402689 /nfs/dbraw/zinc/40/26/89/371402689.db2.gz YIHRURQTQFOQAS-WHXUTIOJSA-N 1 0 225.357 2.040 10 0 BEAERO CCCCN(CC[NH3+])C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104306600 168811161 /nfs/dbraw/zinc/81/11/61/168811161.db2.gz NVQFDLVZULXURL-YNEHKIRRSA-N 1 0 238.375 2.010 10 0 BEAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000624234958 371421824 /nfs/dbraw/zinc/42/18/24/371421824.db2.gz ADGFNRHGFIKZJZ-QEJZJMRPSA-N 1 0 249.354 2.104 10 0 BEAERO CCC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000624235441 371422893 /nfs/dbraw/zinc/42/28/93/371422893.db2.gz KIGHWRVPLKJKCY-KKUMJFAQSA-N 1 0 249.354 2.267 10 0 BEAERO Nc1cccc(NC(=O)CCC[NH+]2CCCC2)c1 ZINC000022153589 181745883 /nfs/dbraw/zinc/74/58/83/181745883.db2.gz QRQDZNWMJQLOMR-UHFFFAOYSA-N 1 0 247.342 2.083 10 0 BEAERO Nc1c[nH+]ccc1NCc1cccc(F)c1 ZINC000020473483 181769897 /nfs/dbraw/zinc/76/98/97/181769897.db2.gz AVIBUCSTLIXEQC-UHFFFAOYSA-N 1 0 217.247 2.415 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1c(C)cccc1C ZINC000126526342 371532136 /nfs/dbraw/zinc/53/21/36/371532136.db2.gz DAFSIGBANZHXSM-LLVKDONJSA-N 1 0 221.300 2.256 10 0 BEAERO C[C@@H]1C[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]2O1 ZINC000249701304 259547393 /nfs/dbraw/zinc/54/73/93/259547393.db2.gz YJUILXHWEKGUKU-BZPMIXESSA-N 1 0 232.327 2.081 10 0 BEAERO Nc1ccccc1SCC[NH+]1CCCC1 ZINC000020254075 181758285 /nfs/dbraw/zinc/75/82/85/181758285.db2.gz LAWVXRHTWFAOCE-UHFFFAOYSA-N 1 0 222.357 2.457 10 0 BEAERO C[NH2+][C@@H]1COc2c1c(Br)ccc2F ZINC000126645988 371541888 /nfs/dbraw/zinc/54/18/88/371541888.db2.gz JBXILIQTGMGFPT-SSDOTTSWSA-N 1 0 246.079 2.241 10 0 BEAERO Cc1nc([C@H]2N[C@@H](C)CS2)cs1 ZINC000126785128 371550863 /nfs/dbraw/zinc/55/08/63/371550863.db2.gz GPEOUHPGPHCAIZ-XNCJUZBTSA-N 1 0 200.332 2.175 10 0 BEAERO F[C@@H]([C@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225685513 371566281 /nfs/dbraw/zinc/56/62/81/371566281.db2.gz GHFPVZVJSIAQII-RITPCOANSA-N 1 0 246.070 2.454 10 0 BEAERO [NH3+]C1(Cc2cncc(Br)c2)CCC1 ZINC000161825811 371569123 /nfs/dbraw/zinc/56/91/23/371569123.db2.gz OYERPOSHQYQMQC-UHFFFAOYSA-N 1 0 241.132 2.268 10 0 BEAERO CC[C@H]([NH2+]C)[C@@H]1SCCS[C@H]1C ZINC000162182843 371626829 /nfs/dbraw/zinc/62/68/29/371626829.db2.gz MRBITFWSEBVRPB-XHNCKOQMSA-N 1 0 205.392 2.222 10 0 BEAERO CC(C)([NH3+])c1ccncc1Br ZINC000215754440 371626910 /nfs/dbraw/zinc/62/69/10/371626910.db2.gz LYTXTGLEZDNFPX-UHFFFAOYSA-N 1 0 215.094 2.038 10 0 BEAERO C1CSC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000131671056 371646482 /nfs/dbraw/zinc/64/64/82/371646482.db2.gz YTVNVZKEMMLDQO-UWVGGRQHSA-N 1 0 217.403 2.367 10 0 BEAERO [NH3+][C@@H](Cc1ccoc1)[C@@H]1CCCCS1 ZINC000131730398 371662608 /nfs/dbraw/zinc/66/26/08/371662608.db2.gz QXWIEJJNJYJGEJ-QWRGUYRKSA-N 1 0 211.330 2.435 10 0 BEAERO Cc1ccc(C(=O)c2ccc(C[NH3+])o2)s1 ZINC000226658307 371717726 /nfs/dbraw/zinc/71/77/26/371717726.db2.gz KFBGUADCYUMMRM-UHFFFAOYSA-N 1 0 221.281 2.339 10 0 BEAERO Cc1cc(C(=O)C2(C[NH3+])CCC2)cs1 ZINC000226792400 371744836 /nfs/dbraw/zinc/74/48/36/371744836.db2.gz MHCIKFKGFVBGJK-UHFFFAOYSA-N 1 0 209.314 2.368 10 0 BEAERO Cc1cc(F)ccc1C(=O)C1(C[NH3+])CC1 ZINC000226797415 371746665 /nfs/dbraw/zinc/74/66/65/371746665.db2.gz MQHYQKFXAURWFN-UHFFFAOYSA-N 1 0 207.248 2.056 10 0 BEAERO Cc1nnc(S[C@@H]2CCCC[NH2+]C2)s1 ZINC000132148336 371757646 /nfs/dbraw/zinc/75/76/46/371757646.db2.gz KMTSLXIIZUBDEH-MRVPVSSYSA-N 1 0 229.374 2.081 10 0 BEAERO C[C@H](O[C@@H]1C[C@@H]([NH3+])C1(C)C)C(F)(F)F ZINC000227278110 371823187 /nfs/dbraw/zinc/82/31/87/371823187.db2.gz VJPWDIJZSNKXQP-RRKCRQDMSA-N 1 0 211.227 2.080 10 0 BEAERO C[C@H]1SCC[N@H+](CC(=O)C(C)(C)C)[C@@H]1C ZINC000132579758 371864707 /nfs/dbraw/zinc/86/47/07/371864707.db2.gz LFIWGJYQUSBQSK-NXEZZACHSA-N 1 0 229.389 2.427 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1OCc1ccccc1 ZINC000230196972 371869550 /nfs/dbraw/zinc/86/95/50/371869550.db2.gz YBMOKITWBRYVCY-YPMHNXCESA-N 1 0 205.301 2.201 10 0 BEAERO C[C@H](CO)S[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000162895581 371876862 /nfs/dbraw/zinc/87/68/62/371876862.db2.gz BFKJIOJDRGYTRZ-KXUCPTDWSA-N 1 0 217.378 2.006 10 0 BEAERO Nc1cc(Sc2ccncc2)ccn1 ZINC000227674879 371919903 /nfs/dbraw/zinc/91/99/03/371919903.db2.gz CBYNLDVXXDYYSR-UHFFFAOYSA-N 1 0 203.270 2.210 10 0 BEAERO O=C1CCC[C@@H]1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000228043442 371981216 /nfs/dbraw/zinc/98/12/16/371981216.db2.gz MICSIFOWSHRJRA-IJLUTSLNSA-N 1 0 207.317 2.088 10 0 BEAERO Cc1sccc1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000227878511 371950901 /nfs/dbraw/zinc/95/09/01/371950901.db2.gz DKBQWOVOKUNXFO-JTQLQIEISA-N 1 0 209.314 2.381 10 0 BEAERO C[NH2+][C@@H]1COc2c1c(Br)ccc2C ZINC000228358043 372018897 /nfs/dbraw/zinc/01/88/97/372018897.db2.gz DYRCJSGVKAMRCH-MRVPVSSYSA-N 1 0 242.116 2.410 10 0 BEAERO CC(C)(C)c1nnsc1[C@@H]([NH3+])C1CC1 ZINC000163615145 372020248 /nfs/dbraw/zinc/02/02/48/372020248.db2.gz YPIWLLVGKRUOBL-ZETCQYMHSA-N 1 0 211.334 2.245 10 0 BEAERO C[C@H]1C[C@]1([NH3+])c1ccc(Br)cn1 ZINC000133347909 372027718 /nfs/dbraw/zinc/02/77/18/372027718.db2.gz RCXAGVMYYZARSM-IMTBSYHQSA-N 1 0 227.105 2.038 10 0 BEAERO CC[C@@H]1C[C@@]1([NH3+])c1ncccc1Br ZINC000133348934 372027770 /nfs/dbraw/zinc/02/77/70/372027770.db2.gz NZSFFWIJHCSJKT-XCBNKYQSSA-N 1 0 241.132 2.428 10 0 BEAERO Nc1cc[nH+]cc1NCc1ccsc1 ZINC000306562609 372037338 /nfs/dbraw/zinc/03/73/38/372037338.db2.gz OHMJMHHSEHKUMS-UHFFFAOYSA-N 1 0 205.286 2.337 10 0 BEAERO C[C@@H]1C[C@H](C)[C@@H](OCC(F)F)[C@@H]([NH3+])C1 ZINC000228575404 372050388 /nfs/dbraw/zinc/05/03/88/372050388.db2.gz MZEOJXQFBNKBRC-CHIQAWFVSA-N 1 0 207.264 2.030 10 0 BEAERO CC(C)(C)C(=[NH2+])NC[C@@H]1CCSC1 ZINC000228612844 372056038 /nfs/dbraw/zinc/05/60/38/372056038.db2.gz UAOITWZNQNDIQS-QMMMGPOBSA-N 1 0 200.351 2.352 10 0 BEAERO C1C[C@H]2CC3(C[C@@H]1S2)[NH2+]CCCS3 ZINC000403559853 372006171 /nfs/dbraw/zinc/00/61/71/372006171.db2.gz CCDCHQGEWVIKLG-ULKQDVFKSA-N 1 0 215.387 2.467 10 0 BEAERO Cc1cc([C@H](F)[C@@H]2CCC[NH2+]2)sn1 ZINC000306346974 372012856 /nfs/dbraw/zinc/01/28/56/372012856.db2.gz BUKOBZFDIOFKGO-IONNQARKSA-N 1 0 200.282 2.214 10 0 BEAERO Cc1ccsc1[C@@H]1C[NH2+][C@H](C)CCO1 ZINC000133811138 372115327 /nfs/dbraw/zinc/11/53/27/372115327.db2.gz IIVXIJOBRRSRDD-ZJUUUORDSA-N 1 0 211.330 2.496 10 0 BEAERO [NH3+][C@@H](c1nscc1Br)C1CC1 ZINC000404804737 372116818 /nfs/dbraw/zinc/11/68/18/372116818.db2.gz MOZFGMFTWZLUNC-ZCFIWIBFSA-N 1 0 233.134 2.315 10 0 BEAERO CC(C)([NH3+])c1nc(-c2cncs2)cs1 ZINC000229139369 372122682 /nfs/dbraw/zinc/12/26/82/372122682.db2.gz IEZMJIDAWLANHK-UHFFFAOYSA-N 1 0 225.342 2.460 10 0 BEAERO Cc1nc(-c2csc(CC[NH3+])n2)cs1 ZINC000229140085 372122707 /nfs/dbraw/zinc/12/27/07/372122707.db2.gz QNCLTOTYANJGPK-UHFFFAOYSA-N 1 0 225.342 2.076 10 0 BEAERO C[C@@H]1CCSC(NC[C@H]2CCCS2)=[NH+]1 ZINC000133718597 372095080 /nfs/dbraw/zinc/09/50/80/372095080.db2.gz VXRIQZBIAYHWQN-RKDXNWHRSA-N 1 0 230.402 2.353 10 0 BEAERO CC[C@@H]([NH3+])c1ccoc1Br ZINC000229299909 372137998 /nfs/dbraw/zinc/13/79/98/372137998.db2.gz FJJXROTWFJZFCQ-ZCFIWIBFSA-N 1 0 204.067 2.452 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2OCC[C@@H]2C)cs1 ZINC000229451635 372152996 /nfs/dbraw/zinc/15/29/96/372152996.db2.gz ZEUPLSQHQUUIRV-BKDNQFJXSA-N 1 0 211.330 2.481 10 0 BEAERO C[C@@H]1C[C@](C)(CO)C[N@@H+]1Cc1ccccc1 ZINC000164577346 372167138 /nfs/dbraw/zinc/16/71/38/372167138.db2.gz ZNOPMPNKAXGTMO-OCCSQVGLSA-N 1 0 219.328 2.279 10 0 BEAERO CCSCC[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000133879878 372124551 /nfs/dbraw/zinc/12/45/51/372124551.db2.gz ORQVHNYYWFVQPA-YUMQZZPRSA-N 1 0 245.310 2.031 10 0 BEAERO CCSCC[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000133880079 372125492 /nfs/dbraw/zinc/12/54/92/372125492.db2.gz ORQVHNYYWFVQPA-HTQZYQBOSA-N 1 0 245.310 2.031 10 0 BEAERO CCN1c2ccc(C[NH3+])c3cccc(c23)C1=O ZINC000008226964 372528591 /nfs/dbraw/zinc/52/85/91/372528591.db2.gz FNUIHLXUZQWHPC-UHFFFAOYSA-N 1 0 226.279 2.279 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@@H](CN)c2ccccc2)C1 ZINC000038860725 372794772 /nfs/dbraw/zinc/79/47/72/372794772.db2.gz LHQTWACZUTUCKS-JSGCOSHPSA-N 1 0 218.344 2.418 10 0 BEAERO O=C(C[C@H]1CCCC[NH2+]1)NCC1CCCCC1 ZINC000037260040 182026904 /nfs/dbraw/zinc/02/69/04/182026904.db2.gz NERKQRJTRCTCRE-CYBMUJFWSA-N 1 0 238.375 2.215 10 0 BEAERO O=C(C[C@H]1CCCC[NH2+]1)N1CCCCCCC1 ZINC000020597538 182027356 /nfs/dbraw/zinc/02/73/56/182027356.db2.gz AOEULFQDPIPVQD-CYBMUJFWSA-N 1 0 238.375 2.311 10 0 BEAERO O=C(Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000041243583 182035503 /nfs/dbraw/zinc/03/55/03/182035503.db2.gz OJVDTAVDEAAUEK-NSHDSACASA-N 1 0 223.703 2.204 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@H]2CCCC[C@H]2C1 ZINC000245224859 373198596 /nfs/dbraw/zinc/19/85/96/373198596.db2.gz GRAYTPDGPOMPSD-KGLIPLIRSA-N 1 0 224.392 2.497 10 0 BEAERO O=C(NCCC1CC[NH2+]CC1)Oc1ccccc1 ZINC000048263306 182158623 /nfs/dbraw/zinc/15/86/23/182158623.db2.gz RYJNCPUCTFZKBX-UHFFFAOYSA-N 1 0 248.326 2.165 10 0 BEAERO NC(=[NH2+])Sc1ccc(F)c(Cl)c1 ZINC000069763805 373726395 /nfs/dbraw/zinc/72/63/95/373726395.db2.gz XXHMWACCMILRMH-UHFFFAOYSA-N 1 0 204.657 2.465 10 0 BEAERO CN1CCCC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799268 373807222 /nfs/dbraw/zinc/80/72/22/373807222.db2.gz QCBIQUCYHQZHNA-QWRGUYRKSA-N 1 0 210.346 2.232 10 0 BEAERO CCc1ccc([C@H]2[C@@H]([NH3+])CCN2C)s1 ZINC000069799061 373807880 /nfs/dbraw/zinc/80/78/80/373807880.db2.gz QGKVGOILMQULDH-GXSJLCMTSA-N 1 0 210.346 2.014 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(C)=O)cc1 ZINC000040854136 373837196 /nfs/dbraw/zinc/83/71/96/373837196.db2.gz GPPCICGSVGYVCX-TVQRCGJNSA-N 1 0 248.326 2.201 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](C/C=C/Cl)CC2 ZINC000220393488 134306320 /nfs/dbraw/zinc/30/63/20/134306320.db2.gz YFFFRCZWKOHWOI-BKZLJMBUSA-N 1 0 229.751 2.366 10 0 BEAERO CCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106424573 168855320 /nfs/dbraw/zinc/85/53/20/168855320.db2.gz OTJIEGDNYOMOBL-CQSZACIVSA-N 1 0 248.370 2.076 10 0 BEAERO C[C@@H](CC(N)=S)[N@@H+]1CCCCC[C@H]1C ZINC000069944911 374089731 /nfs/dbraw/zinc/08/97/31/374089731.db2.gz JVXSQGNGZBHOHZ-ZJUUUORDSA-N 1 0 214.378 2.316 10 0 BEAERO CO[C@@H]1CCC[C@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC000070329772 374138402 /nfs/dbraw/zinc/13/84/02/374138402.db2.gz ITDVKJOYKBWBGW-MJBXVCDLSA-N 1 0 241.375 2.350 10 0 BEAERO C[C@@H]([NH3+])CCc1occc1Br ZINC000070636229 374168133 /nfs/dbraw/zinc/16/81/33/374168133.db2.gz GZIGWUCOIPMGMQ-ZCFIWIBFSA-N 1 0 218.094 2.322 10 0 BEAERO CC(C)(C)[NH+]1CCC(n2ccnc2)CC1 ZINC000143401646 374178132 /nfs/dbraw/zinc/17/81/32/374178132.db2.gz JUUOSQUHDREBBU-UHFFFAOYSA-N 1 0 207.321 2.319 10 0 BEAERO CC[C@@](C)(C[NH3+])Nc1ccc(Cl)cn1 ZINC000070894742 374226160 /nfs/dbraw/zinc/22/61/60/374226160.db2.gz NEOIACHBOBAEOI-JTQLQIEISA-N 1 0 213.712 2.274 10 0 BEAERO Cc1ncsc1CNC1=[NH+][C@@H](C)CS1 ZINC000070916986 374229935 /nfs/dbraw/zinc/22/99/35/374229935.db2.gz FGZGCHOHDBPWOB-LURJTMIESA-N 1 0 227.358 2.032 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH+]1CCC(=O)CC1 ZINC000042863749 374295089 /nfs/dbraw/zinc/29/50/89/374295089.db2.gz LHZRHDMATNZBID-RYUDHWBXSA-N 1 0 209.333 2.478 10 0 BEAERO O=C(Nc1ccc(F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000062112654 182356172 /nfs/dbraw/zinc/35/61/72/182356172.db2.gz GGLZXVXOCJYYIU-ZETCQYMHSA-N 1 0 242.681 2.027 10 0 BEAERO O=C(Nc1ccc(F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000062112653 182357246 /nfs/dbraw/zinc/35/72/46/182357246.db2.gz GGLZXVXOCJYYIU-SSDOTTSWSA-N 1 0 242.681 2.027 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000459544149 206133139 /nfs/dbraw/zinc/13/31/39/206133139.db2.gz QGDLJNUKRFLTMY-PEGIJTEDSA-N 1 0 238.331 2.276 10 0 BEAERO Cc1cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)no1 ZINC000459544147 206134373 /nfs/dbraw/zinc/13/43/73/206134373.db2.gz QGDLJNUKRFLTMY-NXEZZACHSA-N 1 0 238.331 2.276 10 0 BEAERO O=C(Nc1cc(Cl)ccc1F)[C@H]1CCC[NH2+]1 ZINC000035084249 182348694 /nfs/dbraw/zinc/34/86/94/182348694.db2.gz UVNKSEKIQSDTBH-SECBINFHSA-N 1 0 242.681 2.170 10 0 BEAERO CCCC[NH2+]CCN1CCO[C@H]2CCCC[C@@H]21 ZINC000053443915 168866507 /nfs/dbraw/zinc/86/65/07/168866507.db2.gz GSHCDFHVUXDXRT-KBPBESRZSA-N 1 0 240.391 2.020 10 0 BEAERO O=C(Nc1cccc(Cl)c1F)[C@@H]1CCC[NH2+]1 ZINC000020362769 182369884 /nfs/dbraw/zinc/36/98/84/182369884.db2.gz RXTZEVPQQWLIGL-VIFPVBQESA-N 1 0 242.681 2.170 10 0 BEAERO O=C(c1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000041245420 182650633 /nfs/dbraw/zinc/65/06/33/182650633.db2.gz PWDZEFOYEBROBC-QMMMGPOBSA-N 1 0 225.238 2.147 10 0 BEAERO CC1(C)C[C@@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224729713 259578870 /nfs/dbraw/zinc/57/88/70/259578870.db2.gz ICTSTSZCNKMTSM-RHYQMDGZSA-N 1 0 223.360 2.436 10 0 BEAERO O=C1Nc2ccccc2CN1C[C@@H]1CCC[NH2+]C1 ZINC000095077846 182824348 /nfs/dbraw/zinc/82/43/48/182824348.db2.gz PLPICVCRBRDOMT-LLVKDONJSA-N 1 0 245.326 2.034 10 0 BEAERO OC1(CC[NH2+][C@@H]2CCC[C@H]2CCF)CCC1 ZINC000336711355 183017035 /nfs/dbraw/zinc/01/70/35/183017035.db2.gz SGHWCHKNXJOUPW-NWDGAFQWSA-N 1 0 229.339 2.409 10 0 BEAERO OCC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC000038343350 183040799 /nfs/dbraw/zinc/04/07/99/183040799.db2.gz IAWCMDPGKZNLSF-YHWZYXNKSA-N 1 0 209.333 2.022 10 0 BEAERO OCC1([NH2+]CC2CC2)CCCCCCC1 ZINC000038124937 183036439 /nfs/dbraw/zinc/03/64/39/183036439.db2.gz DVENVGASHZOLDF-UHFFFAOYSA-N 1 0 211.349 2.461 10 0 BEAERO OCCCSCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309611365 183061867 /nfs/dbraw/zinc/06/18/67/183061867.db2.gz ZOEDQUURCBVNNQ-VXGBXAGGSA-N 1 0 249.395 2.220 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCC1CCOCC1 ZINC000336656010 183063120 /nfs/dbraw/zinc/06/31/20/183063120.db2.gz KSTUPLXYCRJGQN-AWEZNQCLSA-N 1 0 241.375 2.040 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCCCCF ZINC000336662665 183064792 /nfs/dbraw/zinc/06/47/92/183064792.db2.gz COUATEIMBUTRGN-GFCCVEGCSA-N 1 0 217.328 2.363 10 0 BEAERO OCC[NH2+]C1c2ccccc2Cc2ccccc21 ZINC000061669812 183076432 /nfs/dbraw/zinc/07/64/32/183076432.db2.gz UMEYTRIJHYNYQY-UHFFFAOYSA-N 1 0 239.318 2.262 10 0 BEAERO OCC[NH2+]C1c2ccccc2Oc2ccccc21 ZINC000037376490 183077479 /nfs/dbraw/zinc/07/74/79/183077479.db2.gz BAXBSFCJNGGMEJ-UHFFFAOYSA-N 1 0 241.290 2.464 10 0 BEAERO CCCC[C@H](C[NH3+])N1CCC[C@H](OCCC)C1 ZINC000042421217 169002632 /nfs/dbraw/zinc/00/26/32/169002632.db2.gz FZQKGDZYWACAOX-KGLIPLIRSA-N 1 0 242.407 2.395 10 0 BEAERO OC[C@@H]1CCCC[N@H+](Cc2ccccc2F)C1 ZINC000374051015 183116224 /nfs/dbraw/zinc/11/62/24/183116224.db2.gz NVTRZAOTHNLJGR-GFCCVEGCSA-N 1 0 237.318 2.420 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000309470650 183118141 /nfs/dbraw/zinc/11/81/41/183118141.db2.gz AMZDVFNBTYJSKZ-XQQFMLRXSA-N 1 0 223.360 2.460 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000219011702 183118541 /nfs/dbraw/zinc/11/85/41/183118541.db2.gz IDDOLDGPUGJXJA-GXTWGEPZSA-N 1 0 237.318 2.466 10 0 BEAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1CCO ZINC000019750294 169009615 /nfs/dbraw/zinc/00/96/15/169009615.db2.gz BDPVFNDXFXFWFF-NSHDSACASA-N 1 0 247.342 2.219 10 0 BEAERO OC[C@@H]([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000038125056 183107023 /nfs/dbraw/zinc/10/70/23/183107023.db2.gz PVVJSROJAFIMOK-GFCCVEGCSA-N 1 0 225.719 2.373 10 0 BEAERO OC[C@@H]([NH2+]C1CCCC1)c1ccsc1 ZINC000038122869 183107090 /nfs/dbraw/zinc/10/70/90/183107090.db2.gz CAQFKGHKIHHTIM-LLVKDONJSA-N 1 0 211.330 2.314 10 0 BEAERO CCCC[C@H](CC)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000310001453 169000068 /nfs/dbraw/zinc/00/00/68/169000068.db2.gz FBFLHFRYJMGJIW-WOPDTQHZSA-N 1 0 226.364 2.212 10 0 BEAERO OC[C@@H]([NH2+]C1CCCC1)[C@H]1CC=CCC1 ZINC000038123033 183108319 /nfs/dbraw/zinc/10/83/19/183108319.db2.gz NHUBKKZXXMOEPY-WCQYABFASA-N 1 0 209.333 2.236 10 0 BEAERO OC[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000062999419 183108383 /nfs/dbraw/zinc/10/83/83/183108383.db2.gz PXCIPTXXZJEHDW-CQSZACIVSA-N 1 0 231.339 2.498 10 0 BEAERO CCCCc1ccc(C(=O)C[NH2+]C)cc1 ZINC000041213901 169019533 /nfs/dbraw/zinc/01/95/33/169019533.db2.gz WELJWQXUNVLBPG-UHFFFAOYSA-N 1 0 205.301 2.431 10 0 BEAERO CCCCc1ccc(-n2nnnc2[C@@H](C)[NH3+])cc1 ZINC000062493949 169019665 /nfs/dbraw/zinc/01/96/65/169019665.db2.gz CHYZQBNEGVGWCP-SNVBAGLBSA-N 1 0 245.330 2.025 10 0 BEAERO CCCCc1ccc(N2CC[C@@H]([NH2+]C)C2=O)cc1 ZINC000049648134 169021157 /nfs/dbraw/zinc/02/11/57/169021157.db2.gz FFWLTHSQOJRUAG-CQSZACIVSA-N 1 0 246.354 2.354 10 0 BEAERO OC[C@H]([NH2+]C1CCCC1)c1ccsc1 ZINC000038122870 183140041 /nfs/dbraw/zinc/14/00/41/183140041.db2.gz CAQFKGHKIHHTIM-NSHDSACASA-N 1 0 211.330 2.314 10 0 BEAERO CCCCc1ccc([C@H](O)CC[NH3+])cc1 ZINC000036158257 169023344 /nfs/dbraw/zinc/02/33/44/169023344.db2.gz BSYNWWXFZMQOEU-CYBMUJFWSA-N 1 0 207.317 2.411 10 0 BEAERO CCCCc1nc2c(c(NCCC[NH3+])n1)CCC2 ZINC000057328803 169027660 /nfs/dbraw/zinc/02/76/60/169027660.db2.gz JBTMXPRAACTGFK-UHFFFAOYSA-N 1 0 248.374 2.069 10 0 BEAERO OC[C@H]1CCCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000374054689 183147432 /nfs/dbraw/zinc/14/74/32/183147432.db2.gz ZRBZIEVYXWPYMQ-STQMWFEESA-N 1 0 209.333 2.190 10 0 BEAERO OC[C@H]1CCCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000367738739 183147627 /nfs/dbraw/zinc/14/76/27/183147627.db2.gz UPPHTDDIEGWAMM-DZGCQCFKSA-N 1 0 245.366 2.421 10 0 BEAERO CCCN(C(=O)C1CCC([NH3+])CC1)C(C)C ZINC000037481961 169040365 /nfs/dbraw/zinc/04/03/65/169040365.db2.gz HICINVDGYJGABR-UHFFFAOYSA-N 1 0 226.364 2.151 10 0 BEAERO CCCN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000055086977 169045456 /nfs/dbraw/zinc/04/54/56/169045456.db2.gz GJPLIKJRVAEXKS-VXGBXAGGSA-N 1 0 226.364 2.151 10 0 BEAERO CCCN(C(=O)[C@@H]1[NH2+]CCC[C@H]1C)C(C)C ZINC000051792558 169044773 /nfs/dbraw/zinc/04/47/73/169044773.db2.gz YDYVRACSYAUGKJ-VXGBXAGGSA-N 1 0 226.364 2.022 10 0 BEAERO O[C@@H](c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000032015118 183184407 /nfs/dbraw/zinc/18/44/07/183184407.db2.gz UAJJHEOQQHUXAG-JQWIXIFHSA-N 1 0 225.719 2.373 10 0 BEAERO OCc1ccccc1OCCC[NH+]1CCCC1 ZINC000049333353 183168576 /nfs/dbraw/zinc/16/85/76/183168576.db2.gz CUDLUJMFHVAVQH-UHFFFAOYSA-N 1 0 235.327 2.044 10 0 BEAERO O[C@@H](c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000083160456 183184826 /nfs/dbraw/zinc/18/48/26/183184826.db2.gz VXPFEIKADOXZSQ-CQSZACIVSA-N 1 0 231.295 2.466 10 0 BEAERO O[C@@H](c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000034180987 183184833 /nfs/dbraw/zinc/18/48/33/183184833.db2.gz DBZBXEVTIAXPOA-RYUDHWBXSA-N 1 0 209.264 2.001 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000104238355 183196222 /nfs/dbraw/zinc/19/62/22/183196222.db2.gz UVBRAHASPKQPHQ-WDEREUQCSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CC[N@@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645431 183200531 /nfs/dbraw/zinc/20/05/31/183200531.db2.gz VYNNWWZBPKXCNX-RBSFLKMASA-N 1 0 231.339 2.389 10 0 BEAERO O[C@@H]1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000041225906 183201700 /nfs/dbraw/zinc/20/17/00/183201700.db2.gz XRZQAVLNSRKLHS-MNOVXSKESA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000336711888 183203835 /nfs/dbraw/zinc/20/38/35/183203835.db2.gz SLAGFQDECPHPIJ-UMSGYPCISA-N 1 0 229.339 2.265 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCCO2)C1CC[NH2+]CC1 ZINC000038058304 183185845 /nfs/dbraw/zinc/18/58/45/183185845.db2.gz RAPPYXYKJAFCND-OAHLLOKOSA-N 1 0 247.338 2.045 10 0 BEAERO O[C@@H](c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000041225898 183185889 /nfs/dbraw/zinc/18/58/89/183185889.db2.gz DBNLVCOMVDGCDS-QWRGUYRKSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1CCC2=C(C[C@H]([NH+]3CCCCC3)C2)C1 ZINC000169343094 183186857 /nfs/dbraw/zinc/18/68/57/183186857.db2.gz CKBBOXSCVJQABJ-ZIAGYGMSSA-N 1 0 221.344 2.476 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(C2CC2)CC1 ZINC000368336719 183187937 /nfs/dbraw/zinc/18/79/37/183187937.db2.gz PWFHACONTIYIOK-UONOGXRCSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000042896231 183188402 /nfs/dbraw/zinc/18/84/02/183188402.db2.gz PATUPOYGAFZDGP-LSDHHAIUSA-N 1 0 249.354 2.349 10 0 BEAERO O[C@@H]1CCCCC[C@H]1[NH2+]CC1CCCC1 ZINC000037886813 183188451 /nfs/dbraw/zinc/18/84/51/183188451.db2.gz RNCOOCJHOBQTEL-CHWSQXEVSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000051017291 183188816 /nfs/dbraw/zinc/18/88/16/183188816.db2.gz JHFJIAYKZJCHAW-QWHCGFSZSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000037490890 183189562 /nfs/dbraw/zinc/18/95/62/183189562.db2.gz BPAIEUUQGPYDQR-QWHCGFSZSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335620932 183195235 /nfs/dbraw/zinc/19/52/35/183195235.db2.gz LFMPBGBLKCMXOQ-DGCLKSJQSA-N 1 0 223.360 2.460 10 0 BEAERO O[C@@]1(c2ccccc2C(F)(F)F)CCC[NH2+]C1 ZINC000104108250 183218235 /nfs/dbraw/zinc/21/82/35/183218235.db2.gz PKBWQGIRBOKSQV-NSHDSACASA-N 1 0 245.244 2.276 10 0 BEAERO O[C@H](CCc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000071532482 183220743 /nfs/dbraw/zinc/22/07/43/183220743.db2.gz RJBKRAGCQDMLQP-ZYHUDNBSSA-N 1 0 225.357 2.041 10 0 BEAERO O[C@H](C[NH2+]C1CC1)c1cc(Cl)ccc1F ZINC000083264710 183222754 /nfs/dbraw/zinc/22/27/54/183222754.db2.gz LZLKCBFEYWYLJM-LLVKDONJSA-N 1 0 229.682 2.265 10 0 BEAERO O[C@H](Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000041289542 183227763 /nfs/dbraw/zinc/22/77/63/183227763.db2.gz BTTKPPZCZURHKN-VXGBXAGGSA-N 1 0 243.709 2.135 10 0 BEAERO O[C@H](c1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000036162544 183228430 /nfs/dbraw/zinc/22/84/30/183228430.db2.gz OJXFFKWTXGQWAU-XVKPBYJWSA-N 1 0 231.748 2.435 10 0 BEAERO CCCN(C)[C@@H](C[NH3+])c1ccc(OCC)cc1 ZINC000020226248 169087051 /nfs/dbraw/zinc/08/70/51/169087051.db2.gz AHKVLIKWRYLQOI-AWEZNQCLSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@H](c1ccc2c(c1)CCCC2)[C@@H]1CCC[NH2+]1 ZINC000032016089 183229378 /nfs/dbraw/zinc/22/93/78/183229378.db2.gz NFYYJJXCCOCBRQ-LSDHHAIUSA-N 1 0 231.339 2.351 10 0 BEAERO CCCN(C)[C@H](C[NH3+])c1ccccc1OCC ZINC000020226159 169087885 /nfs/dbraw/zinc/08/78/85/169087885.db2.gz KVXQGZSHIZXKPW-CYBMUJFWSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@H](c1ccccc1)[C@@H]1CC2CC[NH+]1CC2 ZINC000029489160 183229736 /nfs/dbraw/zinc/22/97/36/183229736.db2.gz PWPTXBISWPQFLV-UONOGXRCSA-N 1 0 217.312 2.204 10 0 BEAERO O[C@H]1/C(=C\c2ccsc2)[NH+]2CCC1CC2 ZINC000033477351 183230389 /nfs/dbraw/zinc/23/03/89/183230389.db2.gz HNBVTNPDDZRELH-YTRUQHMWSA-N 1 0 221.325 2.176 10 0 BEAERO CCC[N@@H+](C/C=C\c1ccccc1OC)CCO ZINC000005870665 169090623 /nfs/dbraw/zinc/09/06/23/169090623.db2.gz YRFDGJPOYVTSQM-VURMDHGXSA-N 1 0 249.354 2.413 10 0 BEAERO O[C@H](c1ccnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001599840 183230785 /nfs/dbraw/zinc/23/07/85/183230785.db2.gz BPVZGZYCAMIBMO-HUUCEWRRSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000028232207 183231771 /nfs/dbraw/zinc/23/17/71/183231771.db2.gz TYFVIIFOPODLOW-GJZGRUSLSA-N 1 0 231.339 2.348 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCc2ccc(F)cc2C1 ZINC000270544783 183231888 /nfs/dbraw/zinc/23/18/88/183231888.db2.gz SBISLWQYZAWJBQ-GJZGRUSLSA-N 1 0 249.329 2.487 10 0 BEAERO CCCN(CC)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055126280 169112620 /nfs/dbraw/zinc/11/26/20/169112620.db2.gz RHMRCYTURTYMRF-NEPJUHHUSA-N 1 0 226.364 2.153 10 0 BEAERO CCCN(CC)C(=O)c1cccc(CC[NH3+])c1 ZINC000053661989 169119146 /nfs/dbraw/zinc/11/91/46/169119146.db2.gz JRTKIWIUYPDFHN-UHFFFAOYSA-N 1 0 234.343 2.060 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCc2ccc(F)cc2C1 ZINC000270544780 183232405 /nfs/dbraw/zinc/23/24/05/183232405.db2.gz SBISLWQYZAWJBQ-CABCVRRESA-N 1 0 249.329 2.487 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000045629499 183232489 /nfs/dbraw/zinc/23/24/89/183232489.db2.gz GMSUKELKMRJWFW-XQQFMLRXSA-N 1 0 209.333 2.236 10 0 BEAERO O[C@H]1CCC[NH2+][C@H]1c1cccc(Cl)c1 ZINC000060114287 183235824 /nfs/dbraw/zinc/23/58/24/183235824.db2.gz FWZXKAJWPUSUIW-QWRGUYRKSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1CCC[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000060114285 183235924 /nfs/dbraw/zinc/23/59/24/183235924.db2.gz FWZXKAJWPUSUIW-WDEREUQCSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000037164937 183235954 /nfs/dbraw/zinc/23/59/54/183235954.db2.gz OWCYDCTVYNJWPV-OLZOCXBDSA-N 1 0 211.349 2.460 10 0 BEAERO CCC[N@H+](CC(C)C)[C@](C)(CC)CN ZINC000050092168 169107485 /nfs/dbraw/zinc/10/74/85/169107485.db2.gz XEBKQWWNSDZBRX-GFCCVEGCSA-N 1 0 200.370 2.482 10 0 BEAERO CCCN(CC(F)(F)F)c1cccc(C[NH3+])n1 ZINC000051397242 169107570 /nfs/dbraw/zinc/10/75/70/169107570.db2.gz NJAZAIYZSVSNIU-UHFFFAOYSA-N 1 0 247.264 2.319 10 0 BEAERO CCC[N@H+](CC)[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000037094464 169132680 /nfs/dbraw/zinc/13/26/80/169132680.db2.gz QSDIZJTYOPFVNG-LLVKDONJSA-N 1 0 249.358 2.328 10 0 BEAERO CCC[NH+](CCC)[C@H]1CCn2nccc2C1 ZINC000013672665 169152026 /nfs/dbraw/zinc/15/20/26/169152026.db2.gz LVAZPFMWSRDRRK-LBPRGKRZSA-N 1 0 221.348 2.320 10 0 BEAERO CCC[N@H+](C[C@@H](N)CC(C)C)CC1CC1 ZINC000042491173 169138478 /nfs/dbraw/zinc/13/84/78/169138478.db2.gz KQTKIUKWZJOHSA-ZDUSSCGKSA-N 1 0 212.381 2.482 10 0 BEAERO Oc1ccc2c(c1)C[C@H]([NH+]1CCCCC1)C2 ZINC000039219921 183280123 /nfs/dbraw/zinc/28/01/23/183280123.db2.gz MRIPIXMSNCGISW-CYBMUJFWSA-N 1 0 217.312 2.345 10 0 BEAERO O=c1cc(C(F)(F)F)nc([C@@H]2CCCC[NH2+]2)[nH]1 ZINC000071396344 183256822 /nfs/dbraw/zinc/25/68/22/183256822.db2.gz ALAKRTUESKWHDP-LURJTMIESA-N 1 0 247.220 2.016 10 0 BEAERO CCC[NH+](CCC)C[C@@H](N)[C@H](C)CC ZINC000039141053 169147255 /nfs/dbraw/zinc/14/72/55/169147255.db2.gz YJLWEGPFWMDFOF-VXGBXAGGSA-N 1 0 200.370 2.482 10 0 BEAERO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@@H]1C ZINC000107352643 169147586 /nfs/dbraw/zinc/14/75/86/169147586.db2.gz MZOACACWSXLHAI-QWHCGFSZSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[N@H+](C[C@H](O)c1cccc(N)c1)C(C)C ZINC000051326101 169173225 /nfs/dbraw/zinc/17/32/25/169173225.db2.gz WXQBBEREXUYGQA-AWEZNQCLSA-N 1 0 236.359 2.423 10 0 BEAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)[NH2+]C ZINC000054074771 169174477 /nfs/dbraw/zinc/17/44/77/169174477.db2.gz WXOYPRPAFLQBNM-CYBMUJFWSA-N 1 0 248.370 2.342 10 0 BEAERO CCCN(CC[NH3+])Cc1ccc(CC)cc1 ZINC000032013792 169157829 /nfs/dbraw/zinc/15/78/29/169157829.db2.gz LZMRJMQGEAEKQI-UHFFFAOYSA-N 1 0 220.360 2.420 10 0 BEAERO CCCN(CC[NH2+]C)c1cc(C(C)C)ncn1 ZINC000053707438 169160053 /nfs/dbraw/zinc/16/00/53/169160053.db2.gz DWXYJUGAYKAUJE-UHFFFAOYSA-N 1 0 236.363 2.036 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCOC1 ZINC000037738628 183295130 /nfs/dbraw/zinc/29/51/30/183295130.db2.gz PXCJTILZYFTYDM-GWCFXTLKSA-N 1 0 233.311 2.006 10 0 BEAERO Oc1cccc2c1CC[C@@H]1[NH2+]CCC[C@@H]21 ZINC000012355898 183295963 /nfs/dbraw/zinc/29/59/63/183295963.db2.gz RWDHALOKAOEZPC-JQWIXIFHSA-N 1 0 203.285 2.174 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@H]1O ZINC000250218211 183296058 /nfs/dbraw/zinc/29/60/58/183296058.db2.gz QIELQZXJBSIDOD-KCQAQPDRSA-N 1 0 247.338 2.273 10 0 BEAERO c1c2c(cc3c1CC[NH2+][C@@H]3C1CCC1)OCO2 ZINC000075655852 183321097 /nfs/dbraw/zinc/32/10/97/183321097.db2.gz XQUHPAJLGOJPDR-CQSZACIVSA-N 1 0 231.295 2.402 10 0 BEAERO c1c2c(cc3c1OCCO3)[C@@H](C1CC1)[NH2+]CC2 ZINC000011599033 183322159 /nfs/dbraw/zinc/32/21/59/183322159.db2.gz QLEWNLQHQMUUFF-CQSZACIVSA-N 1 0 231.295 2.055 10 0 BEAERO c1c2c(cc3c1CC[NH2+][C@H]3CC1CC1)OCO2 ZINC000075655295 183323873 /nfs/dbraw/zinc/32/38/73/183323873.db2.gz KAWIKXINVFOTMT-LBPRGKRZSA-N 1 0 231.295 2.402 10 0 BEAERO CCC[N@@H+]1CCO[C@@H](c2ccc(O)cc2)C1 ZINC000028957453 169205424 /nfs/dbraw/zinc/20/54/24/169205424.db2.gz IZHCCKWRFAIIPH-CYBMUJFWSA-N 1 0 221.300 2.176 10 0 BEAERO CCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178330120 169200106 /nfs/dbraw/zinc/20/01/06/169200106.db2.gz BVEARDKCZNMTGI-LBPRGKRZSA-N 1 0 207.321 2.066 10 0 BEAERO CCC[N@@H+]1CCC[C@@]2(C1)c1ccccc1NC2=O ZINC000136866130 169202022 /nfs/dbraw/zinc/20/20/22/169202022.db2.gz GAXMORXVWSKSBO-OAHLLOKOSA-N 1 0 244.338 2.382 10 0 BEAERO CCC[N@@H+]1CCO[C@@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000026824949 169204482 /nfs/dbraw/zinc/20/44/82/169204482.db2.gz JCSREICEMHWFAY-LSDHHAIUSA-N 1 0 247.338 2.490 10 0 in-vitro BEAERO c1cc(CCNC2=[NH+]C[C@H](C3CC3)S2)ccn1 ZINC000071307301 183338428 /nfs/dbraw/zinc/33/84/28/183338428.db2.gz CTZCNNPKAXVBFS-GFCCVEGCSA-N 1 0 247.367 2.095 10 0 BEAERO CCCNC(=O)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043533469 169226300 /nfs/dbraw/zinc/22/63/00/169226300.db2.gz FLPFWDSMLYTOGD-CYBMUJFWSA-N 1 0 248.370 2.296 10 0 BEAERO c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000037916387 183342503 /nfs/dbraw/zinc/34/25/03/183342503.db2.gz IQBRZZXSXZGHJP-CABCVRRESA-N 1 0 245.370 2.046 10 0 BEAERO CCC[N@@H+]1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000328454650 169206723 /nfs/dbraw/zinc/20/67/23/169206723.db2.gz DZWRJTQPYQPHBB-CQSZACIVSA-N 1 0 237.318 2.215 10 0 BEAERO CCCNC(=[NH2+])Nc1ccc(OCC)cc1 ZINC000052069200 169212351 /nfs/dbraw/zinc/21/23/51/169212351.db2.gz ITZQSUQXGGPUSP-UHFFFAOYSA-N 1 0 221.304 2.432 10 0 BEAERO c1cc(CS[C@@H]2CCC[NH2+]C2)ccn1 ZINC000095092729 183355600 /nfs/dbraw/zinc/35/56/00/183355600.db2.gz FXUPWAGNOQQUJL-LLVKDONJSA-N 1 0 208.330 2.067 10 0 BEAERO c1cc(C2CC2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000070951548 183335475 /nfs/dbraw/zinc/33/54/75/183335475.db2.gz DTGAKBNIGMUGEN-NSHDSACASA-N 1 0 203.289 2.169 10 0 BEAERO c1cc2c(ccnc2[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000074211611 183363362 /nfs/dbraw/zinc/36/33/62/183363362.db2.gz MWCMLSIEMSZLRK-SECBINFHSA-N 1 0 201.273 2.030 10 0 BEAERO CCC[NH2+]C[C@@H](C)Oc1ccc(OC)cc1 ZINC000052676495 169262867 /nfs/dbraw/zinc/26/28/67/169262867.db2.gz VHMSCVGBLWGCKR-LLVKDONJSA-N 1 0 223.316 2.462 10 0 BEAERO CCC[NH2+]C[C@@H]1CCc2ncsc2C1 ZINC000033874370 169262893 /nfs/dbraw/zinc/26/28/93/169262893.db2.gz NPNURABQPHGRPL-SECBINFHSA-N 1 0 210.346 2.248 10 0 BEAERO CCC[NH2+]CC(=O)NC(C)(C)c1ccccc1 ZINC000002013686 169255661 /nfs/dbraw/zinc/25/56/61/169255661.db2.gz VFFIBFFLDDIALY-UHFFFAOYSA-N 1 0 234.343 2.038 10 0 BEAERO CCC[NH2+]C1CCN([C@H](C)[C@H]2CCCO2)CC1 ZINC000035735966 169255665 /nfs/dbraw/zinc/25/56/65/169255665.db2.gz GPQKCPPKVJHLAN-TZMCWYRMSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[NH2+]CC(=O)c1ccc(CC)cc1 ZINC000041611804 169256235 /nfs/dbraw/zinc/25/62/35/169256235.db2.gz PAGAXEPJPPLXLI-UHFFFAOYSA-N 1 0 205.301 2.431 10 0 BEAERO CCC[NH2+]CCCOc1ccccc1OC ZINC000020525236 169256629 /nfs/dbraw/zinc/25/66/29/169256629.db2.gz SSESLDWRFOQHGF-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1ccc(C)cc1 ZINC000072417536 169257232 /nfs/dbraw/zinc/25/72/32/169257232.db2.gz UUEYIESWWJIGEM-UHFFFAOYSA-N 1 0 220.316 2.323 10 0 BEAERO CCC[NH2+]CCCOc1ccc(OC)cc1 ZINC000020361265 169257313 /nfs/dbraw/zinc/25/73/13/169257313.db2.gz MSJOQJBXQPRKGR-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO CCC[NH2+]CCC(=O)N1c2ccccc2C[C@H]1C ZINC000072417534 169257459 /nfs/dbraw/zinc/25/74/59/169257459.db2.gz ZSLKREJFBWVZKA-GFCCVEGCSA-N 1 0 246.354 2.354 10 0 BEAERO CCC[NH2+]CCN1CC[C@H]2CCCC[C@@H]2C1 ZINC000044381088 169258164 /nfs/dbraw/zinc/25/81/64/169258164.db2.gz XJJYIGYEJPSVBJ-ZIAGYGMSSA-N 1 0 224.392 2.498 10 0 BEAERO c1cc2c(cc1C[C@H]1CCC[NH2+]C1)OCCCO2 ZINC000036171654 183368956 /nfs/dbraw/zinc/36/89/56/183368956.db2.gz KILQKSZCOFICQB-CYBMUJFWSA-N 1 0 247.338 2.390 10 0 BEAERO CCC[NH2+]C[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000052648870 169263079 /nfs/dbraw/zinc/26/30/79/169263079.db2.gz YOCICWKADUPRHT-JTQLQIEISA-N 1 0 237.299 2.182 10 0 BEAERO CCC[NH2+]CC[C@@H](O)c1ccc(Cl)c(N)c1 ZINC000098126705 169260401 /nfs/dbraw/zinc/26/04/01/169260401.db2.gz VCQCAHBPIXCJMA-GFCCVEGCSA-N 1 0 242.750 2.345 10 0 BEAERO CCC[NH2+]CC[C@@H](O)c1ccc(C)c(N)c1 ZINC000098124786 169260562 /nfs/dbraw/zinc/26/05/62/169260562.db2.gz KLGWWVXKNAYYLV-CYBMUJFWSA-N 1 0 222.332 2.000 10 0 BEAERO CCC[NH2+]CCOc1ccc(F)cc1F ZINC000020525332 169260778 /nfs/dbraw/zinc/26/07/78/169260778.db2.gz BNHXCNBLUSTWDR-UHFFFAOYSA-N 1 0 215.243 2.343 10 0 BEAERO CCC[NH2+]CC[C@H](O)c1cc(F)ccc1F ZINC000049821368 169261071 /nfs/dbraw/zinc/26/10/71/169261071.db2.gz ODRGUSFROPPPMD-LBPRGKRZSA-N 1 0 229.270 2.388 10 0 BEAERO CCC[NH2+]CCc1nc2ccccc2n1C ZINC000074536127 169261439 /nfs/dbraw/zinc/26/14/39/169261439.db2.gz BKEVREBRALDRFV-UHFFFAOYSA-N 1 0 217.316 2.115 10 0 BEAERO CCC[NH2+]CC[C@H](O)c1ccc(F)cc1 ZINC000049814986 169261513 /nfs/dbraw/zinc/26/15/13/169261513.db2.gz UDMAHRBITFRPAT-LBPRGKRZSA-N 1 0 211.280 2.249 10 0 BEAERO CCC[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000053302187 169261579 /nfs/dbraw/zinc/26/15/79/169261579.db2.gz JTCBEMDQCZNBNF-UHFFFAOYSA-N 1 0 229.327 2.414 10 0 BEAERO CCC[NH2+]CC[C@H](O)c1ccc(F)c(F)c1 ZINC000049821372 169261676 /nfs/dbraw/zinc/26/16/76/169261676.db2.gz LSOBKVQVRTVGCP-LBPRGKRZSA-N 1 0 229.270 2.388 10 0 BEAERO CCC[NH2+]C[C@@H]1CCc2ccc(O)cc2O1 ZINC000003959253 169262135 /nfs/dbraw/zinc/26/21/35/169262135.db2.gz PEHTUJKNDCNRDK-LBPRGKRZSA-N 1 0 221.300 2.085 10 0 BEAERO c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367703553 183373185 /nfs/dbraw/zinc/37/31/85/183373185.db2.gz DGVZQQSRAWKYPP-FVCCEPFGSA-N 1 0 233.311 2.139 10 0 BEAERO CCC[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000020147677 169262524 /nfs/dbraw/zinc/26/25/24/169262524.db2.gz IBMAUBZHDLJFHA-JTQLQIEISA-N 1 0 212.362 2.350 10 0 BEAERO c1cc2nc(CC[C@@H]3CCCC[NH2+]3)[nH]c2cn1 ZINC000071166679 183377294 /nfs/dbraw/zinc/37/72/94/183377294.db2.gz HLXMRSRUJIIZRI-JTQLQIEISA-N 1 0 230.315 2.033 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042862084 169242098 /nfs/dbraw/zinc/24/20/98/169242098.db2.gz QOZNJEXCSYCWNT-XQQFMLRXSA-N 1 0 240.391 2.317 10 0 BEAERO c1nc(-c2ccccn2)sc1C[NH2+]C1CC1 ZINC000040996764 183383712 /nfs/dbraw/zinc/38/37/12/183383712.db2.gz CKZAXXFOYBXFIE-UHFFFAOYSA-N 1 0 231.324 2.457 10 0 BEAERO CCCNC(=O)[C@H](CC[NH3+])C1CCCCC1 ZINC000076612230 169248268 /nfs/dbraw/zinc/24/82/68/169248268.db2.gz YLDIUOPXTSARTC-GFCCVEGCSA-N 1 0 226.364 2.058 10 0 BEAERO CCC[NH2+][C@H]1CCCCCC[C@@H]1S(C)(=O)=O ZINC000054930527 169290652 /nfs/dbraw/zinc/29/06/52/169290652.db2.gz YLSDOEPGXRSLEY-RYUDHWBXSA-N 1 0 247.404 2.122 10 0 BEAERO CCC[NH2+][C@H](C)CN1CCc2ccccc2C1 ZINC000043814912 169285857 /nfs/dbraw/zinc/28/58/57/169285857.db2.gz KWKJUYSOSSASRD-CYBMUJFWSA-N 1 0 232.371 2.433 10 0 BEAERO CCC[NH2+][C@H](C)CCCn1ccc(C)cc1=O ZINC000061909126 169286037 /nfs/dbraw/zinc/28/60/37/169286037.db2.gz ICOGPBMFRSLWNU-CYBMUJFWSA-N 1 0 236.359 2.325 10 0 BEAERO c1nn(-c2ccccc2)cc1[C@H]1CCC[NH2+]1 ZINC000075868068 183386638 /nfs/dbraw/zinc/38/66/38/183386638.db2.gz PFWMTBALLZBAIB-CYBMUJFWSA-N 1 0 213.284 2.297 10 0 BEAERO c1cc([C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000075868478 183387785 /nfs/dbraw/zinc/38/77/85/183387785.db2.gz CVKRXDMGVMQUHT-LBPRGKRZSA-N 1 0 213.284 2.297 10 0 BEAERO CCC[NH2+][C@H](C)c1nc2cccnc2[nH]1 ZINC000062366689 169288248 /nfs/dbraw/zinc/28/82/48/169288248.db2.gz BOASYROIPMOVHF-MRVPVSSYSA-N 1 0 204.277 2.019 10 0 BEAERO c1ccc(C2CC(C[NH2+]C3COC3)C2)cc1 ZINC000309627226 183389563 /nfs/dbraw/zinc/38/95/63/183389563.db2.gz QKLFBJCZIZRDCH-UHFFFAOYSA-N 1 0 217.312 2.169 10 0 BEAERO CCC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000037927054 169263270 /nfs/dbraw/zinc/26/32/70/169263270.db2.gz ISFAVGAFLQHMJN-ZDUSSCGKSA-N 1 0 205.301 2.300 10 0 BEAERO CCC[NH2+]C[C@H](C)Oc1cccc(OC)c1 ZINC000052654972 169263694 /nfs/dbraw/zinc/26/36/94/169263694.db2.gz LCICNLWQLQKPQN-NSHDSACASA-N 1 0 223.316 2.462 10 0 BEAERO CCC[NH2+]C[C@H](C)CN1C[C@H](C)OC[C@@H]1CC ZINC000052570832 169263841 /nfs/dbraw/zinc/26/38/41/169263841.db2.gz VMDQIVAQGOVXOO-IHRRRGAJSA-N 1 0 242.407 2.121 10 0 BEAERO c1ccc(CCC[NH2+]CCN2CCCC2)cc1 ZINC000020127030 183391488 /nfs/dbraw/zinc/39/14/88/183391488.db2.gz OURSPYYUNXNPLL-UHFFFAOYSA-N 1 0 232.371 2.305 10 0 BEAERO CCC[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000055028407 169264529 /nfs/dbraw/zinc/26/45/29/169264529.db2.gz UQQNDJNOGFANEZ-CQSZACIVSA-N 1 0 219.328 2.210 10 0 BEAERO CCC[NH2+]C[C@H](O)c1cc(C)ccc1C ZINC000049814009 169264553 /nfs/dbraw/zinc/26/45/53/169264553.db2.gz MRMKTNMOWOSAFN-ZDUSSCGKSA-N 1 0 207.317 2.336 10 0 BEAERO CCC[NH2+]C[C@H](c1cccc(OC)c1)N(C)C ZINC000019903809 169264777 /nfs/dbraw/zinc/26/47/77/169264777.db2.gz CLDJVYLGOOAXJT-CQSZACIVSA-N 1 0 236.359 2.298 10 0 BEAERO CCC[NH2+]Cc1cc(NC(C)=O)ccc1OC ZINC000096890684 169265357 /nfs/dbraw/zinc/26/53/57/169265357.db2.gz ZAFUIOCLLAZDNU-UHFFFAOYSA-N 1 0 236.315 2.153 10 0 BEAERO CCC[NH2+]Cc1csc(N(CC)CC)n1 ZINC000070681758 169268877 /nfs/dbraw/zinc/26/88/77/169268877.db2.gz FDMTWFJWADLXLQ-UHFFFAOYSA-N 1 0 227.377 2.489 10 0 BEAERO CCC[NH2+]Cc1sc(COC)nc1CC ZINC000082424763 169270012 /nfs/dbraw/zinc/27/00/12/169270012.db2.gz NKINZOVSBAOBKS-UHFFFAOYSA-N 1 0 228.361 2.352 10 0 BEAERO c1ccc(CN2CCC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000076677780 183399096 /nfs/dbraw/zinc/39/90/96/183399096.db2.gz LKNBKHREDVCVHZ-LSDHHAIUSA-N 1 0 230.355 2.261 10 0 BEAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1CCOCC ZINC000111712152 169275983 /nfs/dbraw/zinc/27/59/83/169275983.db2.gz IUXINOUYLROXQS-UONOGXRCSA-N 1 0 242.407 2.266 10 0 BEAERO CCC[NH2+][C@@H](CC(=O)OC)c1ccccc1 ZINC000083351356 169277038 /nfs/dbraw/zinc/27/70/38/169277038.db2.gz FZPTVQGQIZVXEV-LBPRGKRZSA-N 1 0 221.300 2.290 10 0 BEAERO CCC[NH2+][C@H](c1cncnc1)c1cccc(C)n1 ZINC000104163684 169290537 /nfs/dbraw/zinc/29/05/37/169290537.db2.gz NOFZIASNFLLMSH-CQSZACIVSA-N 1 0 242.326 2.269 10 0 BEAERO CCC[NH2+][C@@H](C[C@@H]1CCCO1)c1cncnc1 ZINC000052887143 169278841 /nfs/dbraw/zinc/27/88/41/169278841.db2.gz MQWQYOYANPJBDV-STQMWFEESA-N 1 0 235.331 2.086 10 0 BEAERO CCC[NH2+][C@@H](Cc1cccnc1)c1cnn(C)c1 ZINC000053132230 169279311 /nfs/dbraw/zinc/27/93/11/169279311.db2.gz AEBIHQQYQGKIDF-AWEZNQCLSA-N 1 0 244.342 2.099 10 0 BEAERO c1ccc(COCCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095092569 183406325 /nfs/dbraw/zinc/40/63/25/183406325.db2.gz XKAHQBJCUSUXAU-ZDUSSCGKSA-N 1 0 234.343 2.378 10 0 BEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000043988080 169281666 /nfs/dbraw/zinc/28/16/66/169281666.db2.gz BHDISSCSHSIICV-NEPJUHHUSA-N 1 0 207.321 2.366 10 0 BEAERO CCC[NH2+][C@@H]1CCC[C@H]1c1cncnc1 ZINC000060716525 169282132 /nfs/dbraw/zinc/28/21/32/169282132.db2.gz XHZWMQIESYOYDM-NWDGAFQWSA-N 1 0 205.305 2.112 10 0 BEAERO CCC[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)[C@H](C)C1 ZINC000049694054 169282503 /nfs/dbraw/zinc/28/25/03/169282503.db2.gz ZQAKWUWWKDQIOG-MCIONIFRSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[NH2+][C@@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976242 169283144 /nfs/dbraw/zinc/28/31/44/169283144.db2.gz KXBWDHBFPYXWCO-BDJLRTHQSA-N 1 0 241.331 2.378 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@H]2CCC[C@H](C)C2)C1=O ZINC000049648071 169283240 /nfs/dbraw/zinc/28/32/40/169283240.db2.gz NQCWCFSBTPSQFG-RWMBFGLXSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2ccncc2)[C@H](C)C1 ZINC000049712483 169283242 /nfs/dbraw/zinc/28/32/42/169283242.db2.gz FUTBRCYSWXENCB-UKRRQHHQSA-N 1 0 247.386 2.434 10 0 BEAERO CCCOc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000071536945 169317218 /nfs/dbraw/zinc/31/72/18/169317218.db2.gz CQCDEMDXFAAXBK-CYBMUJFWSA-N 1 0 233.311 2.410 10 0 BEAERO c1coc(CC[NH2+]CCOc2ccccc2)c1 ZINC000049857933 183420692 /nfs/dbraw/zinc/42/06/92/183420692.db2.gz JUYIXSWVEIJQET-UHFFFAOYSA-N 1 0 231.295 2.491 10 0 BEAERO c1ccc(OCCOC[C@@H]2CCCC[NH2+]2)cc1 ZINC000019431963 183421291 /nfs/dbraw/zinc/42/12/91/183421291.db2.gz IJRJTKANQBWTCR-ZDUSSCGKSA-N 1 0 235.327 2.224 10 0 BEAERO CCCOCCOCc1ccc(C[NH3+])cc1F ZINC000104252986 169310171 /nfs/dbraw/zinc/31/01/71/169310171.db2.gz RIUXAHPBILLSBQ-UHFFFAOYSA-N 1 0 241.306 2.228 10 0 BEAERO CCCO[C@H]1CCCN(C2(C[NH3+])CCCC2)C1 ZINC000042421295 169311943 /nfs/dbraw/zinc/31/19/43/169311943.db2.gz OEUFJLAQYDTYAE-ZDUSSCGKSA-N 1 0 240.391 2.149 10 0 BEAERO CCCO[C@@H]1CC[C@@H](C(F)(F)F)C[C@@H]1[NH3+] ZINC000020286041 169312039 /nfs/dbraw/zinc/31/20/39/169312039.db2.gz DPMIUWYTUBBRNQ-HRDYMLBCSA-N 1 0 225.254 2.471 10 0 BEAERO CCCO[C@H]1CCCN(CC2([NH3+])CCCC2)C1 ZINC000042425519 169312410 /nfs/dbraw/zinc/31/24/10/169312410.db2.gz MGFCOXJZKSVTDT-ZDUSSCGKSA-N 1 0 240.391 2.149 10 0 BEAERO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000042423653 169312733 /nfs/dbraw/zinc/31/27/33/169312733.db2.gz JBNYVKVUBHJCQW-QWHCGFSZSA-N 1 0 239.359 2.389 10 0 BEAERO CCCO[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000037024987 169312821 /nfs/dbraw/zinc/31/28/21/169312821.db2.gz IOWJCHVCCUZEAF-KBPBESRZSA-N 1 0 235.327 2.436 10 0 BEAERO CCC[NH2+][C@H]1CCN([C@@H]2CCCC[C@@H]2C)C1=O ZINC000049647858 169291797 /nfs/dbraw/zinc/29/17/97/169291797.db2.gz FSFUZXDWYNJCJS-RWMBFGLXSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1=O ZINC000049647586 169291959 /nfs/dbraw/zinc/29/19/59/169291959.db2.gz HABCACJIOVGOIP-JSGCOSHPSA-N 1 0 246.354 2.348 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cccc(CC)c2)C1=O ZINC000049647840 169292026 /nfs/dbraw/zinc/29/20/26/169292026.db2.gz ITCIGFXWYLMRDQ-AWEZNQCLSA-N 1 0 246.354 2.354 10 0 BEAERO CCC[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000054932004 169292704 /nfs/dbraw/zinc/29/27/04/169292704.db2.gz MCUNTSUHDDNMIT-VIFPVBQESA-N 1 0 213.227 2.398 10 0 BEAERO CCC[NH2+][C@H]1CCc2cccc(O)c2C1 ZINC000027560347 169292807 /nfs/dbraw/zinc/29/28/07/169292807.db2.gz PNYMUTZDLKGATA-NSHDSACASA-N 1 0 205.301 2.249 10 0 BEAERO CCC[NH2+][C@H]1COc2c1cc(C)cc2OC ZINC000035652543 169292919 /nfs/dbraw/zinc/29/29/19/169292919.db2.gz DZGRSOVNCBQJIZ-NSHDSACASA-N 1 0 221.300 2.437 10 0 BEAERO CCC[NH2+][C@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000037870077 169293379 /nfs/dbraw/zinc/29/33/79/169293379.db2.gz PYBHMVOUYBJXLG-ZWNOBZJWSA-N 1 0 226.364 2.056 10 0 BEAERO CCCNc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788982 169293697 /nfs/dbraw/zinc/29/36/97/169293697.db2.gz QCVJZIOHHMOWMV-UHFFFAOYSA-N 1 0 211.696 2.446 10 0 BEAERO CCCNc1nc2c(s1)C[N@H+](CC)CC2 ZINC000061714429 169297018 /nfs/dbraw/zinc/29/70/18/169297018.db2.gz PWNOULYEMBHGMM-UHFFFAOYSA-N 1 0 225.361 2.343 10 0 BEAERO c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000054309145 183415183 /nfs/dbraw/zinc/41/51/83/183415183.db2.gz KMZRCDZZOBTCPQ-GFCCVEGCSA-N 1 0 204.317 2.488 10 0 BEAERO CCCOc1ccc(C[NH2+]CCN(C)C)cc1 ZINC000020083550 169318338 /nfs/dbraw/zinc/31/83/38/169318338.db2.gz RUGULPWAKZZMED-UHFFFAOYSA-N 1 0 236.359 2.127 10 0 BEAERO CCCOc1ccc([C@@H](O)C[NH+](C)C)cc1 ZINC000044122500 169321312 /nfs/dbraw/zinc/32/13/12/169321312.db2.gz JGFUQEHTYFXFAG-ZDUSSCGKSA-N 1 0 223.316 2.070 10 0 BEAERO CCCOc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000071548176 169321398 /nfs/dbraw/zinc/32/13/98/169321398.db2.gz IHJQLEKYNIMJEM-UONOGXRCSA-N 1 0 237.343 2.492 10 0 BEAERO CCCOc1ccc([C@H](CN)[NH2+]C(C)C)cc1 ZINC000052920127 169322376 /nfs/dbraw/zinc/32/23/76/169322376.db2.gz GNIFUQYSKOPKNL-AWEZNQCLSA-N 1 0 236.359 2.473 10 0 BEAERO CCCOc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000071548175 169322560 /nfs/dbraw/zinc/32/25/60/169322560.db2.gz IHJQLEKYNIMJEM-KBPBESRZSA-N 1 0 237.343 2.492 10 0 BEAERO CCCOc1cccc2c1OC[C@H]2[NH2+]C ZINC000035655258 169327021 /nfs/dbraw/zinc/32/70/21/169327021.db2.gz CRAMDXIHUCVXIW-SNVBAGLBSA-N 1 0 207.273 2.128 10 0 BEAERO CCCOc1ccccc1[C@@H](O)C[NH2+]C1CC1 ZINC000033465505 169327499 /nfs/dbraw/zinc/32/74/99/169327499.db2.gz JAPIFMATYRPWLG-ZDUSSCGKSA-N 1 0 235.327 2.261 10 0 BEAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CN2CCC1CC2 ZINC000019946918 183446504 /nfs/dbraw/zinc/44/65/04/183446504.db2.gz RSXVULTVCFPDHE-HOTGVXAUSA-N 1 0 242.366 2.358 10 0 BEAERO c1cnc2ccc(OC[C@@H]3CCC[NH2+]3)cc2c1 ZINC000041249938 183486521 /nfs/dbraw/zinc/48/65/21/183486521.db2.gz FOYXKVNKVSCALH-LBPRGKRZSA-N 1 0 228.295 2.366 10 0 BEAERO CCC[C@@H](C(=O)Nc1cccc(O)c1)[NH+](C)C ZINC000093900461 169346036 /nfs/dbraw/zinc/34/60/36/169346036.db2.gz WWORHGNIAYFXPR-LBPRGKRZSA-N 1 0 236.315 2.061 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358148 169349379 /nfs/dbraw/zinc/34/93/79/169349379.db2.gz GZBXPYWQKYVFHK-AGIUHOORSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[C@@H](C)C(=O)N[C@@H](C[NH3+])c1ccccc1 ZINC000104319329 169352285 /nfs/dbraw/zinc/35/22/85/169352285.db2.gz LDTBSLAGJOVYIP-YPMHNXCESA-N 1 0 234.343 2.239 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCN(CC)CC ZINC000020089740 169358867 /nfs/dbraw/zinc/35/88/67/169358867.db2.gz ZYWDLPSORKDCAW-GFCCVEGCSA-N 1 0 200.370 2.354 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCN1CCCCC1 ZINC000049574614 169359149 /nfs/dbraw/zinc/35/91/49/169359149.db2.gz HFNLPCSLCUZDRI-CYBMUJFWSA-N 1 0 212.381 2.498 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C1(C)CC[NH2+]CC1 ZINC000062839868 169362346 /nfs/dbraw/zinc/36/23/46/169362346.db2.gz KNOAQXIWSATZTM-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C(C)(C)[NH2+]CC ZINC000061289432 169362509 /nfs/dbraw/zinc/36/25/09/169362509.db2.gz KNDZUXSNESBLCD-SNVBAGLBSA-N 1 0 214.353 2.022 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Cc1cccc(C)c1 ZINC000082379447 169387115 /nfs/dbraw/zinc/38/71/15/169387115.db2.gz HLVLUXFEJIFTFL-GFCCVEGCSA-N 1 0 205.301 2.234 10 0 BEAERO CCC[C@@H](C[NH3+])C(=O)N1CCC(C)(CC)CC1 ZINC000062955212 169383067 /nfs/dbraw/zinc/38/30/67/169383067.db2.gz AFBBCPNYOXKVKU-LBPRGKRZSA-N 1 0 240.391 2.400 10 0 BEAERO CCC[C@@H](C[NH3+])N1CCc2ccccc2C1 ZINC000022167885 169383645 /nfs/dbraw/zinc/38/36/45/169383645.db2.gz VLUJGDFFOMQRJF-AWEZNQCLSA-N 1 0 218.344 2.172 10 0 BEAERO CCC[C@@H]([NH3+])[C@H](CC)N(C)CCc1ccncc1 ZINC000048260039 169392589 /nfs/dbraw/zinc/39/25/89/169392589.db2.gz ZAQZODPZGRALHM-CABCVRRESA-N 1 0 249.402 2.462 10 0 BEAERO C1CC1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179297375 134319533 /nfs/dbraw/zinc/31/95/33/134319533.db2.gz OXYCMYNLUDPIBZ-UHFFFAOYSA-N 1 0 208.349 2.099 10 0 BEAERO c1coc(CC[NH2+]CCc2ccncc2)c1 ZINC000037980806 183506880 /nfs/dbraw/zinc/50/68/80/183506880.db2.gz KQDQNYIEASZNPF-UHFFFAOYSA-N 1 0 216.284 2.049 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000336726225 169418221 /nfs/dbraw/zinc/41/82/21/169418221.db2.gz GCSASQZERKLLCC-AGIUHOORSA-N 1 0 243.416 2.413 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCNC(C)=O ZINC000310022073 169418245 /nfs/dbraw/zinc/41/82/45/169418245.db2.gz NWCITLALVRDKML-OLZOCXBDSA-N 1 0 226.364 2.071 10 0 BEAERO c1csc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000051871279 183520211 /nfs/dbraw/zinc/52/02/11/183520211.db2.gz VUQQUBBNCIHVGK-SECBINFHSA-N 1 0 212.318 2.054 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000336726228 169418740 /nfs/dbraw/zinc/41/87/40/169418740.db2.gz GCSASQZERKLLCC-JHJVBQTASA-N 1 0 243.416 2.413 10 0 BEAERO CCC[C@@]1(C(=O)N[C@H]2CCC[C@@H]2C)CC[NH2+]C1 ZINC000071209052 169460466 /nfs/dbraw/zinc/46/04/66/169460466.db2.gz AWGJBLFMNZDDGR-SGMGOOAPSA-N 1 0 238.375 2.071 10 0 BEAERO CCC[C@H](C)N(C)C(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062854033 169486667 /nfs/dbraw/zinc/48/66/67/169486667.db2.gz WEKVIFDVDFKINQ-JSGCOSHPSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000020040819 169492936 /nfs/dbraw/zinc/49/29/36/169492936.db2.gz ZVMQHGABZHIYGM-LBPRGKRZSA-N 1 0 226.364 2.167 10 0 BEAERO CCC[C@H](CC)NC(=O)C1(CC)CC[NH2+]CC1 ZINC000062850229 169496229 /nfs/dbraw/zinc/49/62/29/169496229.db2.gz CMVKNBYMYBOUFI-LBPRGKRZSA-N 1 0 240.391 2.461 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CCSC1 ZINC000224427571 134347110 /nfs/dbraw/zinc/34/71/10/134347110.db2.gz UDDHEENFTIDDPP-ZYHUDNBSSA-N 1 0 235.352 2.463 10 0 BEAERO CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336739343 169519828 /nfs/dbraw/zinc/51/98/28/169519828.db2.gz SLVTYVKJQUQUFL-WOPDTQHZSA-N 1 0 217.328 2.265 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC(C)C ZINC000336737995 169526157 /nfs/dbraw/zinc/52/61/57/169526157.db2.gz NXTKPDMPSQBFPT-RYUDHWBXSA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@@H]1CCN(c2cccc(COC)c2)CC[NH2+]1 ZINC000049662527 171014226 /nfs/dbraw/zinc/01/42/26/171014226.db2.gz YYKVTESYXLOUOE-CQSZACIVSA-N 1 0 248.370 2.411 10 0 BEAERO CCCc1ccc(-c2c[nH]c(C[NH3+])n2)cc1 ZINC000036870963 169568761 /nfs/dbraw/zinc/56/87/61/169568761.db2.gz AFEXFPDZRKSWSI-UHFFFAOYSA-N 1 0 215.300 2.488 10 0 BEAERO CCCc1ccc(CCCN2CC[NH2+]CC2)cc1 ZINC000049834769 169571210 /nfs/dbraw/zinc/57/12/10/169571210.db2.gz PFDVZELZOWJJHF-UHFFFAOYSA-N 1 0 246.398 2.477 10 0 BEAERO CCCc1ccc([C@H](O)C[NH2+]C2CC2)cc1 ZINC000049817380 169575710 /nfs/dbraw/zinc/57/57/10/169575710.db2.gz HWZQNMLXAAUVBW-CQSZACIVSA-N 1 0 219.328 2.425 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ncc(Cl)s1 ZINC000225359600 134354857 /nfs/dbraw/zinc/35/48/57/134354857.db2.gz ILXMKFQPRWERHN-HTQZYQBOSA-N 1 0 246.763 2.047 10 0 BEAERO CCCc1nnc(N[C@H](C)CC[NH+](C)C)s1 ZINC000301646739 169599481 /nfs/dbraw/zinc/59/94/81/169599481.db2.gz DLTQHKKXRFJLCV-SECBINFHSA-N 1 0 242.392 2.243 10 0 BEAERO CCCn1c(CC[NH2+]C)nc2ccccc21 ZINC000019750570 169613280 /nfs/dbraw/zinc/61/32/80/169613280.db2.gz RRJMFLRZFPQYRL-UHFFFAOYSA-N 1 0 217.316 2.208 10 0 BEAERO CCN(C(=O)CC[C@H](C)C[NH3+])c1ccccc1 ZINC000076617132 169633874 /nfs/dbraw/zinc/63/38/74/169633874.db2.gz HQAANTPUEDPODL-LBPRGKRZSA-N 1 0 234.343 2.415 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])Cn1ccc(C(F)(F)F)n1 ZINC000043298500 166695900 /nfs/dbraw/zinc/69/59/00/166695900.db2.gz XTBBYAAXIGJZCO-ZETCQYMHSA-N 1 0 235.253 2.275 10 0 BEAERO CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1C)C1CC1 ZINC000049292535 169636488 /nfs/dbraw/zinc/63/64/88/169636488.db2.gz JEBUIWPWFINHOB-DGCLKSJQSA-N 1 0 238.375 2.166 10 0 BEAERO CCN(C(=O)[C@@H]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000055146783 169649856 /nfs/dbraw/zinc/64/98/56/169649856.db2.gz UNKLDSNKFIEXJX-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCc2nccn2C1)C(C)C ZINC000371480738 383830824 /nfs/dbraw/zinc/83/08/24/383830824.db2.gz QLLSDOMAFRVHLF-RYUDHWBXSA-N 1 0 221.348 2.222 10 0 BEAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccs1 ZINC000035138567 383833953 /nfs/dbraw/zinc/83/39/53/383833953.db2.gz FLDHKDGTHZIQTJ-VIFPVBQESA-N 1 0 240.372 2.313 10 0 BEAERO CCOCC[NH2+][C@H]1CCc2c1cccc2O ZINC000036852843 383913496 /nfs/dbraw/zinc/91/34/96/383913496.db2.gz HXGYEUVWOJKMEO-LBPRGKRZSA-N 1 0 221.300 2.006 10 0 BEAERO CC(C)[C@@H]([NH3+])COc1ccc(F)c(F)c1 ZINC000111929539 383885433 /nfs/dbraw/zinc/88/54/33/383885433.db2.gz NHYPNRASDWDXTA-NSHDSACASA-N 1 0 215.243 2.327 10 0 BEAERO CCC[C@@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732318 383991243 /nfs/dbraw/zinc/99/12/43/383991243.db2.gz DLLWVLNEUVLLKQ-OLZOCXBDSA-N 1 0 248.374 2.224 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)C ZINC000043051065 383997782 /nfs/dbraw/zinc/99/77/82/383997782.db2.gz MOOMLKPPACHIFF-KCJUWKMLSA-N 1 0 212.724 2.290 10 0 BEAERO CC(C)[C@@H]([NH3+])CCN(C)c1ncccc1F ZINC000227739297 134385584 /nfs/dbraw/zinc/38/55/84/134385584.db2.gz NUBJHTSBRQURML-NSHDSACASA-N 1 0 225.311 2.030 10 0 BEAERO [NH3+][C@@H](COC(F)(F)F)c1ccccc1 ZINC000068576568 383999152 /nfs/dbraw/zinc/99/91/52/383999152.db2.gz LRUXMHNYRNKJEM-QMMMGPOBSA-N 1 0 205.179 2.223 10 0 BEAERO CCc1cccc2c([C@H]([NH3+])C(C)=O)c[nH]c21 ZINC000089203997 383946481 /nfs/dbraw/zinc/94/64/81/383946481.db2.gz HWLHIJIGNPGOEU-GFCCVEGCSA-N 1 0 216.284 2.319 10 0 BEAERO [NH3+]Cc1ccc(C(=O)c2ccsc2)s1 ZINC000090397614 384044788 /nfs/dbraw/zinc/04/47/88/384044788.db2.gz FIJWNBRMTBKCFS-UHFFFAOYSA-N 1 0 223.322 2.499 10 0 BEAERO CC(C)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000073653099 384028354 /nfs/dbraw/zinc/02/83/54/384028354.db2.gz KDCVTJAXNWOGBD-ZDUSSCGKSA-N 1 0 210.365 2.345 10 0 BEAERO C[C@@H](NCC(C)(C)[NH+](C)C)c1cncs1 ZINC000132047725 384055904 /nfs/dbraw/zinc/05/59/04/384055904.db2.gz AHWSVLMMGXWWEZ-SECBINFHSA-N 1 0 227.377 2.134 10 0 BEAERO [NH3+][C@@H]1CSC[C@@H]1Cc1ccccc1F ZINC000098099415 384056776 /nfs/dbraw/zinc/05/67/76/384056776.db2.gz ZMPJDPGDZVZIQT-GXSJLCMTSA-N 1 0 211.305 2.059 10 0 BEAERO C[NH2+]C/C=C/c1occc1Br ZINC000234348541 384066084 /nfs/dbraw/zinc/06/60/84/384066084.db2.gz CTSQGUJYUABFMI-NSCUHMNNSA-N 1 0 216.078 2.275 10 0 BEAERO C[NH+](C)C[C@]1(C)Cc2sccc2C1=O ZINC000004934687 384091574 /nfs/dbraw/zinc/09/15/74/384091574.db2.gz WBSYDCDKHPIOFZ-NSHDSACASA-N 1 0 209.314 2.055 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1ccccn1 ZINC000035723853 384097472 /nfs/dbraw/zinc/09/74/72/384097472.db2.gz CHUNRVISIRCDQQ-VHSXEESVSA-N 1 0 208.330 2.301 10 0 BEAERO CC(C)N1CC[C@@H]([NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000070299224 384099191 /nfs/dbraw/zinc/09/91/91/384099191.db2.gz NYTMJOXACKSUEO-OLZOCXBDSA-N 1 0 240.297 2.447 10 0 BEAERO [NH3+][C@H]1CCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000070299441 384099246 /nfs/dbraw/zinc/09/92/46/384099246.db2.gz MFOXIVRDVQGIJV-QWHCGFSZSA-N 1 0 238.281 2.201 10 0 BEAERO [NH3+][C@@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000070299440 384099254 /nfs/dbraw/zinc/09/92/54/384099254.db2.gz MFOXIVRDVQGIJV-OLZOCXBDSA-N 1 0 238.281 2.201 10 0 BEAERO COC(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000091351952 384121306 /nfs/dbraw/zinc/12/13/06/384121306.db2.gz XIAQEULQNRTMIE-UHFFFAOYSA-N 1 0 228.251 2.117 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1(C)C ZINC000310300763 384122975 /nfs/dbraw/zinc/12/29/75/384122975.db2.gz OFFDWQYRJIPYEI-SDDRHHMPSA-N 1 0 243.391 2.187 10 0 BEAERO CC[C@H](COC)[NH2+][C@H]1COc2ccccc21 ZINC000070624490 384124670 /nfs/dbraw/zinc/12/46/70/384124670.db2.gz XDMUTOJXWQWLJR-PWSUYJOCSA-N 1 0 221.300 2.135 10 0 BEAERO CC[C@@H](CC[NH3+])NC(=O)OCc1ccccc1 ZINC000039952298 384125786 /nfs/dbraw/zinc/12/57/86/384125786.db2.gz FFSDFBUXIKTRNW-LBPRGKRZSA-N 1 0 236.315 2.040 10 0 BEAERO c1cn2c(n1)[C@H](C1CCCC1)[NH2+]CCC2 ZINC000257196338 384145877 /nfs/dbraw/zinc/14/58/77/384145877.db2.gz YAPYVPQZPIXNLJ-NSHDSACASA-N 1 0 205.305 2.108 10 0 BEAERO [NH3+][C@@H]1CCOc2cc(F)c(Br)cc21 ZINC000116924320 384161009 /nfs/dbraw/zinc/16/10/09/384161009.db2.gz SBMBPLQOIUUGJK-MRVPVSSYSA-N 1 0 246.079 2.371 10 0 BEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)cn1 ZINC000092195564 384167391 /nfs/dbraw/zinc/16/73/91/384167391.db2.gz PHAXSFRYJUURLX-KWBADKCTSA-N 1 0 238.306 2.439 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000071522140 384169065 /nfs/dbraw/zinc/16/90/65/384169065.db2.gz MBEDDSTWDAYQMU-IUCAKERBSA-N 1 0 219.737 2.418 10 0 BEAERO CC[N@H+](C[C@H]1Cc2ccccc21)CC(C)(C)O ZINC000092981961 384204901 /nfs/dbraw/zinc/20/49/01/384204901.db2.gz DHJBNTSSJYVBEL-CYBMUJFWSA-N 1 0 233.355 2.419 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000227907990 134399188 /nfs/dbraw/zinc/39/91/88/134399188.db2.gz WBBNSDQZHTUHEX-HZSPNIEDSA-N 1 0 243.391 2.142 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccccc1 ZINC000282340743 384236752 /nfs/dbraw/zinc/23/67/52/384236752.db2.gz MCVWISZUMKGHSP-XBFCOCLRSA-N 1 0 246.354 2.394 10 0 BEAERO COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]C(C)C ZINC000309459710 384239881 /nfs/dbraw/zinc/23/98/81/384239881.db2.gz NNZVKYDPDUBWOJ-RYUDHWBXSA-N 1 0 227.348 2.496 10 0 BEAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1CO ZINC000132241012 384223326 /nfs/dbraw/zinc/22/33/26/384223326.db2.gz LVGLSHAECRMYOL-UKRRQHHQSA-N 1 0 233.355 2.322 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1C ZINC000282346713 384242923 /nfs/dbraw/zinc/24/29/23/384242923.db2.gz MNAOXMJPAFDQRU-TZMCWYRMSA-N 1 0 246.354 2.060 10 0 BEAERO Cc1ccc(O)c(C[NH+]2C[C@@H](C)[C@H](C)C2)n1 ZINC000132752125 384249112 /nfs/dbraw/zinc/24/91/12/384249112.db2.gz MAAAYZDEEFLEDW-NXEZZACHSA-N 1 0 220.316 2.183 10 0 BEAERO c1snnc1C[NH2+]CCC1=CCCC1 ZINC000133525141 384255860 /nfs/dbraw/zinc/25/58/60/384255860.db2.gz UGLQWTOGTZIPGK-UHFFFAOYSA-N 1 0 209.318 2.128 10 0 BEAERO CCc1ccccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282393681 384259895 /nfs/dbraw/zinc/25/98/95/384259895.db2.gz PCVVPWQPPIOPBO-RISCZKNCSA-N 1 0 246.354 2.006 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c(C)c1 ZINC000282419123 384273506 /nfs/dbraw/zinc/27/35/06/384273506.db2.gz QRBRWMXXWLDOAG-TZMCWYRMSA-N 1 0 246.354 2.060 10 0 BEAERO [NH3+]CC1CCN(c2nccc3occc32)CC1 ZINC000236204531 384241632 /nfs/dbraw/zinc/24/16/32/384241632.db2.gz UJOTTXXSUOLRRB-UHFFFAOYSA-N 1 0 231.299 2.003 10 0 BEAERO CC1CCC(C[NH2+]CCc2cn(C)cn2)CC1 ZINC000313300127 384241978 /nfs/dbraw/zinc/24/19/78/384241978.db2.gz NWUCRECURGBPLP-UHFFFAOYSA-N 1 0 235.375 2.379 10 0 BEAERO CC1(C)[C@@H]([NH2+]Cc2cscn2)[C@@H]2CCO[C@@H]21 ZINC000082944463 384276838 /nfs/dbraw/zinc/27/68/38/384276838.db2.gz SJVYTOMOWDTVSI-DCAQKATOSA-N 1 0 238.356 2.046 10 0 BEAERO CCc1ccc(C[NH2+]C[C@H](O)C(C)(C)C)o1 ZINC000133699325 384308658 /nfs/dbraw/zinc/30/86/58/384308658.db2.gz HPILEMABVIVNJB-LBPRGKRZSA-N 1 0 225.332 2.339 10 0 BEAERO CCSCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000300045858 384285732 /nfs/dbraw/zinc/28/57/32/384285732.db2.gz AVRJUHZSLKBSMX-CHWSQXEVSA-N 1 0 242.432 2.298 10 0 BEAERO CCC[C@@H](C(=O)NC[C@@H](C)C(C)C)[NH+](C)C ZINC000179404204 384286609 /nfs/dbraw/zinc/28/66/09/384286609.db2.gz TZFGYNXHOZMLCW-NEPJUHHUSA-N 1 0 228.380 2.125 10 0 BEAERO C[C@@H]1Sc2cc(F)c(F)cc2[C@H]1[NH3+] ZINC000043636038 384290095 /nfs/dbraw/zinc/29/00/95/384290095.db2.gz OUOGPHPRMJHWJU-IGJIYHIXSA-N 1 0 201.241 2.459 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cccs1 ZINC000282498947 384297332 /nfs/dbraw/zinc/29/73/32/384297332.db2.gz YADXDOIWVNXOSI-LPEHRKFASA-N 1 0 238.356 2.066 10 0 BEAERO CC[C@@H](C)C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000133526164 384298252 /nfs/dbraw/zinc/29/82/52/384298252.db2.gz MJFVBXWXQDFPOI-GFCCVEGCSA-N 1 0 244.342 2.403 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000134244475 384342542 /nfs/dbraw/zinc/34/25/42/384342542.db2.gz OODLEELZDBEJMN-CPCISQLKSA-N 1 0 245.244 2.371 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@H](CN(C)C)c2ccccc2)CO1 ZINC000401961353 384344787 /nfs/dbraw/zinc/34/47/87/384344787.db2.gz WUALGIJVVNNWQF-BPLDGKMQSA-N 1 0 248.370 2.056 10 0 BEAERO C[NH+](C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074223 384349766 /nfs/dbraw/zinc/34/97/66/384349766.db2.gz VRYYQRAUDOOWNF-CYBMUJFWSA-N 1 0 242.363 2.338 10 0 BEAERO CC[C@@H](C)C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000120388549 384349818 /nfs/dbraw/zinc/34/98/18/384349818.db2.gz ZAQNMQMYBOTLBF-CHWSQXEVSA-N 1 0 248.374 2.081 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000120389017 384349830 /nfs/dbraw/zinc/34/98/30/384349830.db2.gz ZAQNMQMYBOTLBF-STQMWFEESA-N 1 0 248.374 2.081 10 0 BEAERO COCc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000083969537 384351667 /nfs/dbraw/zinc/35/16/67/384351667.db2.gz IPUFBDGUAUNFSB-GWCFXTLKSA-N 1 0 205.301 2.331 10 0 BEAERO FC(F)(F)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000095077051 384353700 /nfs/dbraw/zinc/35/37/00/384353700.db2.gz KRSGXPURGXELAI-VIFPVBQESA-N 1 0 222.254 2.113 10 0 BEAERO c1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]1)N=N2 ZINC000095079756 384357907 /nfs/dbraw/zinc/35/79/07/384357907.db2.gz YKQYZTLTYVJIHB-NSHDSACASA-N 1 0 216.288 2.253 10 0 BEAERO CCC1=C(OC)S[C@](CC[NH3+])(OC)C1 ZINC000095080159 384359278 /nfs/dbraw/zinc/35/92/78/384359278.db2.gz WUMZFYYGFAVZOU-JTQLQIEISA-N 1 0 217.334 2.083 10 0 BEAERO c1ncc(COCC[C@@H]2CCCC[NH2+]2)s1 ZINC000095092482 384361014 /nfs/dbraw/zinc/36/10/14/384361014.db2.gz UBQINSXJZBXSKL-JTQLQIEISA-N 1 0 226.345 2.192 10 0 BEAERO c1ccc2c(c1)snc2N[C@@H]1CC[NH2+]C1 ZINC000095092777 384362235 /nfs/dbraw/zinc/36/22/35/384362235.db2.gz KBTGBXRNBBIGSJ-MRVPVSSYSA-N 1 0 219.313 2.070 10 0 BEAERO c1ccc2c(c1)snc2NC[C@H]1CCC[NH2+]1 ZINC000095092623 384362528 /nfs/dbraw/zinc/36/25/28/384362528.db2.gz CYQPQONLWYYMLW-SECBINFHSA-N 1 0 233.340 2.460 10 0 BEAERO c1ccc(OCCC[C@H]2CCC[NH2+]C2)nc1 ZINC000095092515 384362841 /nfs/dbraw/zinc/36/28/41/384362841.db2.gz IKQUNAOXYALCBG-GFCCVEGCSA-N 1 0 220.316 2.240 10 0 BEAERO c1ncc(COCCC[C@H]2CCC[NH2+]C2)s1 ZINC000095092585 384363979 /nfs/dbraw/zinc/36/39/79/384363979.db2.gz NTAPPAPMXVWVHT-LLVKDONJSA-N 1 0 240.372 2.440 10 0 BEAERO Cc1cnc(SC2CC[NH2+]CC2)nc1Cl ZINC000095068730 384329735 /nfs/dbraw/zinc/32/97/35/384329735.db2.gz SKQLUXREJOASDM-UHFFFAOYSA-N 1 0 243.763 2.283 10 0 BEAERO Clc1cnc(SC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095070075 384334596 /nfs/dbraw/zinc/33/45/96/384334596.db2.gz WWPMFDSUXTUCDF-MRVPVSSYSA-N 1 0 243.763 2.222 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)s1 ZINC000084447869 384396722 /nfs/dbraw/zinc/39/67/22/384396722.db2.gz GTJPYYLNUGLMKV-KPPDAEKUSA-N 1 0 225.357 2.478 10 0 BEAERO COC[C@H]([NH3+])c1cccc(Br)c1 ZINC000077358930 384404684 /nfs/dbraw/zinc/40/46/84/384404684.db2.gz OXIKOZKITYOZAS-VIFPVBQESA-N 1 0 230.105 2.095 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCC[C@H]2CCOC2)o1 ZINC000400528575 384408695 /nfs/dbraw/zinc/40/86/95/384408695.db2.gz GSPWZYLKDNRJAA-RYUDHWBXSA-N 1 0 238.331 2.450 10 0 BEAERO FC(F)(F)[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000095930327 384410528 /nfs/dbraw/zinc/41/05/28/384410528.db2.gz CTFBUVNLDHEKNL-LLVKDONJSA-N 1 0 244.260 2.023 10 0 BEAERO CC(C)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000616673425 384411713 /nfs/dbraw/zinc/41/17/13/384411713.db2.gz SIXNRDMNHXCXNP-CYBMUJFWSA-N 1 0 218.344 2.388 10 0 BEAERO CC(C)([NH3+])CNc1cc(C(F)(F)F)ccn1 ZINC000095936698 384415555 /nfs/dbraw/zinc/41/55/55/384415555.db2.gz XKUIVUHYUWZHQI-UHFFFAOYSA-N 1 0 233.237 2.250 10 0 BEAERO Fc1ccc(CN2CCCC3(C[NH2+]C3)C2)cc1 ZINC000095937448 384417469 /nfs/dbraw/zinc/41/74/69/384417469.db2.gz IKORRSDRCYVOLY-UHFFFAOYSA-N 1 0 234.318 2.011 10 0 BEAERO C[NH2+][C@]1(C)CCCN(Cc2ccccc2)C1 ZINC000076647055 384381057 /nfs/dbraw/zinc/38/10/57/384381057.db2.gz BNJRIWMGWFXOQI-CQSZACIVSA-N 1 0 218.344 2.261 10 0 BEAERO C1CC([NH2+][C@H]2CCN(C3CCCC3)C2)C1 ZINC000134682467 384384788 /nfs/dbraw/zinc/38/47/88/384384788.db2.gz UZSNPPGTZNGCGO-LBPRGKRZSA-N 1 0 208.349 2.145 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOC(C)(C)C ZINC000175347444 384425603 /nfs/dbraw/zinc/42/56/03/384425603.db2.gz QCGXJPKINDJJJT-ZDUSSCGKSA-N 1 0 242.407 2.218 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccnc1 ZINC000160912177 384446046 /nfs/dbraw/zinc/44/60/46/384446046.db2.gz KPGRJYWKXIZNBH-IACUBPJLSA-N 1 0 234.343 2.426 10 0 BEAERO C[C@@H]1CCCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000648168827 384450488 /nfs/dbraw/zinc/45/04/88/384450488.db2.gz YDRZMPPYLLZMOR-UPJWGTAASA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000135295947 384430602 /nfs/dbraw/zinc/43/06/02/384430602.db2.gz LZIYLINQGCVIJU-NILFDRSVSA-N 1 0 231.339 2.311 10 0 BEAERO CC1(C)CC([NH2+][C@H]2CCCC[C@H]2CO)C1 ZINC000309148898 384430834 /nfs/dbraw/zinc/43/08/34/384430834.db2.gz VXKLPULCMFSBOA-JQWIXIFHSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc2c(c1)OCO2 ZINC000135300547 384434731 /nfs/dbraw/zinc/43/47/31/384434731.db2.gz UBSCRJBEUIZFKU-JBLDHEPKSA-N 1 0 249.310 2.243 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334746164 384486697 /nfs/dbraw/zinc/48/66/97/384486697.db2.gz OHGOXMWVUZSJSD-TZMCWYRMSA-N 1 0 249.354 2.206 10 0 BEAERO C[C@H](NC(=O)[C@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000048419030 384489663 /nfs/dbraw/zinc/48/96/63/384489663.db2.gz NSYHBMRVQMRYRE-STQMWFEESA-N 1 0 246.354 2.348 10 0 BEAERO [NH3+]C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 ZINC000026014257 384511259 /nfs/dbraw/zinc/51/12/59/384511259.db2.gz BPDAOPLNZXIVQI-JKSUJKDBSA-N 1 0 236.318 2.089 10 0 BEAERO Cc1c(C[NH2+][C@@H]2CC23CCCC3)cnn1C ZINC000335868490 384531099 /nfs/dbraw/zinc/53/10/99/384531099.db2.gz PZIRHANQGCWPPA-GFCCVEGCSA-N 1 0 219.332 2.151 10 0 BEAERO CC(C)[C@H](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236630931 384542404 /nfs/dbraw/zinc/54/24/04/384542404.db2.gz PBYCJCQUVINFJQ-OLZOCXBDSA-N 1 0 240.391 2.175 10 0 BEAERO CC(C)OCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085630975 384550909 /nfs/dbraw/zinc/55/09/09/384550909.db2.gz ZRHSWCHAQZUJRK-AVGNSLFASA-N 1 0 241.375 2.205 10 0 BEAERO CCc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]C ZINC000052395622 384537435 /nfs/dbraw/zinc/53/74/35/384537435.db2.gz JORPPYMZDZTTDY-SNVBAGLBSA-N 1 0 220.316 2.104 10 0 BEAERO [NH3+]C[C@@]1(O)CC[C@@H](Cc2ccc(F)cc2)CC1 ZINC000100032321 384611076 /nfs/dbraw/zinc/61/10/76/384611076.db2.gz FMUNWGKEWASYJL-MQMHXKEQSA-N 1 0 237.318 2.248 10 0 BEAERO c1nn(C[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000050526035 384633062 /nfs/dbraw/zinc/63/30/62/384633062.db2.gz JOVWGEAMAQOPFV-NSHDSACASA-N 1 0 215.300 2.036 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)c(C)c1 ZINC000050394363 384622272 /nfs/dbraw/zinc/62/22/72/384622272.db2.gz GPNSLEIWCOHGAM-OCCSQVGLSA-N 1 0 246.354 2.233 10 0 BEAERO OC[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)CC1 ZINC000293025848 384591575 /nfs/dbraw/zinc/59/15/75/384591575.db2.gz FUJWHFMIYLSMIT-UKRRQHHQSA-N 1 0 245.366 2.421 10 0 BEAERO OC[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)CC1 ZINC000293025843 384592519 /nfs/dbraw/zinc/59/25/19/384592519.db2.gz FUJWHFMIYLSMIT-HIFRSBDPSA-N 1 0 245.366 2.421 10 0 BEAERO Nc1nc2c(s1)C[N@@H+](C1CCCCC1)CC2 ZINC000098179870 384600652 /nfs/dbraw/zinc/60/06/52/384600652.db2.gz JSONDQZTTLQUQL-UHFFFAOYSA-N 1 0 237.372 2.416 10 0 BEAERO CC[C@@H]([NH3+])COc1ccc(F)cc1F ZINC000050180780 384600976 /nfs/dbraw/zinc/60/09/76/384600976.db2.gz UULRYSOCYRGRAM-MRVPVSSYSA-N 1 0 201.216 2.081 10 0 BEAERO COc1ccc(Br)c([C@@H]([NH3+])CF)c1 ZINC000238432297 384665271 /nfs/dbraw/zinc/66/52/71/384665271.db2.gz HKYQWNQYKAGBTD-VIFPVBQESA-N 1 0 248.095 2.427 10 0 BEAERO [NH3+]Cc1cc(F)ccc1-c1cccnc1 ZINC000047213110 384670123 /nfs/dbraw/zinc/67/01/23/384670123.db2.gz FCZHUEDPTQKKOE-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO CCc1cccc2c([C@H](C[NH3+])N(C)C)c[nH]c21 ZINC000082345255 384670228 /nfs/dbraw/zinc/67/02/28/384670228.db2.gz WUWKHQMLFFVFKW-ZDUSSCGKSA-N 1 0 231.343 2.292 10 0 BEAERO Clc1cccc2c1cc1n2CC[NH2+]C1 ZINC000082378383 384674824 /nfs/dbraw/zinc/67/48/24/384674824.db2.gz SEKFVHALSLGJKW-UHFFFAOYSA-N 1 0 206.676 2.398 10 0 BEAERO c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000124480751 384646297 /nfs/dbraw/zinc/64/62/97/384646297.db2.gz KIDYKOZBJSZDHM-VXGBXAGGSA-N 1 0 232.331 2.059 10 0 BEAERO C[NH+](C)CCc1c[nH]c2cc3c(cc12)OCO3 ZINC000028771332 384648287 /nfs/dbraw/zinc/64/82/87/384648287.db2.gz QHEIGHVZMWJQHB-UHFFFAOYSA-N 1 0 232.283 2.001 10 0 BEAERO CC(C)(C)C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000374147552 384656849 /nfs/dbraw/zinc/65/68/49/384656849.db2.gz VLRFWEKRUXOLDD-NSHDSACASA-N 1 0 221.348 2.396 10 0 BEAERO Cn1ccnc1C[NH2+]CCC1=CCCC1 ZINC000125985024 384723264 /nfs/dbraw/zinc/72/32/64/384723264.db2.gz YDHMGXJNIDGJLK-UHFFFAOYSA-N 1 0 205.305 2.010 10 0 BEAERO c1ccc(COCC[C@H]2CCCC[NH2+]2)nc1 ZINC000051862242 384695250 /nfs/dbraw/zinc/69/52/50/384695250.db2.gz MDFVIEUTFJDFLG-GFCCVEGCSA-N 1 0 220.316 2.130 10 0 BEAERO c1ccc2[nH]c(OCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000051870828 384697394 /nfs/dbraw/zinc/69/73/94/384697394.db2.gz KPKIDSNMTKPUPV-LLVKDONJSA-N 1 0 245.326 2.474 10 0 BEAERO c1ccc2[nH]c(SC[C@H]3CC[NH2+]C3)nc2c1 ZINC000051890863 384701882 /nfs/dbraw/zinc/70/18/82/384701882.db2.gz WFLISDHOEXERLP-VIFPVBQESA-N 1 0 233.340 2.265 10 0 BEAERO C[C@H](Cc1cccs1)[NH2+]Cc1nccn1C ZINC000051922145 384705618 /nfs/dbraw/zinc/70/56/18/384705618.db2.gz ZOQSWEYPGRUSLY-SNVBAGLBSA-N 1 0 235.356 2.202 10 0 BEAERO c1ccc2nc(OC[C@H]3CCCC[NH2+]3)cnc2c1 ZINC000052018317 384710309 /nfs/dbraw/zinc/71/03/09/384710309.db2.gz SXLMBOOMPNTIRT-LLVKDONJSA-N 1 0 243.310 2.151 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1Nc1cnc2ccccc2n1 ZINC000052017823 384712112 /nfs/dbraw/zinc/71/21/12/384712112.db2.gz YRZBEZNTCNWSDH-WDEREUQCSA-N 1 0 242.326 2.312 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C1CCCC1 ZINC000086930669 384721259 /nfs/dbraw/zinc/72/12/59/384721259.db2.gz IBSXMLRMFKTHFE-DGCLKSJQSA-N 1 0 208.349 2.098 10 0 BEAERO COc1ccc(OC(F)(F)F)cc1C[C@@H](C)[NH3+] ZINC000044461196 384729829 /nfs/dbraw/zinc/72/98/29/384729829.db2.gz PCGSYAQAAJIDPZ-SSDOTTSWSA-N 1 0 249.232 2.484 10 0 BEAERO COC[C@@H](CC(C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309943431 384734038 /nfs/dbraw/zinc/73/40/38/384734038.db2.gz CLRPJJJQYFXBBC-NEPJUHHUSA-N 1 0 231.380 2.044 10 0 BEAERO Cc1[nH+]ccc(N2C[C@@H](C)C[C@H](O)C2)c1Cl ZINC000334812696 384735030 /nfs/dbraw/zinc/73/50/30/384735030.db2.gz MKRNTUBQLMOHIL-WPRPVWTQSA-N 1 0 240.734 2.251 10 0 BEAERO C[NH+](C)C[C@H](NC(=O)C1CCC1)c1ccccc1 ZINC000052554713 384736309 /nfs/dbraw/zinc/73/63/09/384736309.db2.gz IQSOQDUSBRYMFD-AWEZNQCLSA-N 1 0 246.354 2.206 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@H](C)CO)c(C)c1 ZINC000125767019 384748960 /nfs/dbraw/zinc/74/89/60/384748960.db2.gz ARDBVGSRGLPKMP-CHWSQXEVSA-N 1 0 221.344 2.410 10 0 BEAERO CC(C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052852868 384749683 /nfs/dbraw/zinc/74/96/83/384749683.db2.gz SDLUVJBMFMRGAJ-CYBMUJFWSA-N 1 0 234.343 2.062 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000309973871 384754923 /nfs/dbraw/zinc/75/49/23/384754923.db2.gz RFJKBIGIQIBISR-GZMMTYOYSA-N 1 0 238.356 2.288 10 0 BEAERO C[C@@H]([NH3+])COc1cccc(C(F)(F)F)c1 ZINC000075881370 384765942 /nfs/dbraw/zinc/76/59/42/384765942.db2.gz KQRUGYNJLMFAJK-SSDOTTSWSA-N 1 0 219.206 2.431 10 0 BEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2cccs2)C1 ZINC000053201183 384772046 /nfs/dbraw/zinc/77/20/46/384772046.db2.gz ZNEGBTJZMXSFAT-QWRGUYRKSA-N 1 0 224.373 2.493 10 0 BEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H]3CCCO3)C2)c1 ZINC000105900972 384815569 /nfs/dbraw/zinc/81/55/69/384815569.db2.gz UUFJOKAYXUBXFD-KBPBESRZSA-N 1 0 249.358 2.007 10 0 BEAERO C[C@]1(O)CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000163589507 384828792 /nfs/dbraw/zinc/82/87/92/384828792.db2.gz CSMJFWNRCOFKRJ-ZFWWWQNUSA-N 1 0 231.339 2.173 10 0 BEAERO CC[C@H]([NH2+]CCCF)c1c(C)nn(C)c1C ZINC000126997112 384829201 /nfs/dbraw/zinc/82/92/01/384829201.db2.gz JEXZKHQWFMHFPA-NSHDSACASA-N 1 0 227.327 2.437 10 0 BEAERO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000376060188 384832990 /nfs/dbraw/zinc/83/29/90/384832990.db2.gz UYCBAQDEJUVEBF-YHUYYLMFSA-N 1 0 245.366 2.490 10 0 BEAERO C[C@H]([NH2+]Cc1cn2c(n1)CCCC2)C1CC1 ZINC000309737594 384782168 /nfs/dbraw/zinc/78/21/68/384782168.db2.gz CRRHZFMNGLQUSJ-JTQLQIEISA-N 1 0 219.332 2.108 10 0 BEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000107786869 384783850 /nfs/dbraw/zinc/78/38/50/384783850.db2.gz ZERFQJUKSDDOJE-OCCSQVGLSA-N 1 0 248.370 2.440 10 0 BEAERO CCCC[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000310018624 384787602 /nfs/dbraw/zinc/78/76/02/384787602.db2.gz MBRBERACOFPLOY-NEPJUHHUSA-N 1 0 221.348 2.366 10 0 BEAERO Cc1cn2c(n1)CC[C@H]([NH2+]CCC(C)C)C2 ZINC000375511703 384790631 /nfs/dbraw/zinc/79/06/31/384790631.db2.gz PHCYNBDOBNYGQR-LBPRGKRZSA-N 1 0 221.348 2.142 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(Cl)c(F)c1 ZINC000043388737 384790899 /nfs/dbraw/zinc/79/08/99/384790899.db2.gz XJUIOTOLHUPYKB-NXEZZACHSA-N 1 0 217.671 2.250 10 0 BEAERO CC[C@@H]([NH2+]CCc1cnn(C)c1)C(C)(C)C ZINC000310014192 384792554 /nfs/dbraw/zinc/79/25/54/384792554.db2.gz KBTDWWIVDSCOEU-GFCCVEGCSA-N 1 0 223.364 2.377 10 0 BEAERO CC[N@H+](C)Cc1ccc(OCCOC)cc1 ZINC000126313873 384793596 /nfs/dbraw/zinc/79/35/96/384793596.db2.gz DHVQJQHBNCEIDD-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(F)c1 ZINC000375607587 384803740 /nfs/dbraw/zinc/80/37/40/384803740.db2.gz UHXWAVJUDXCBAZ-NZPIUUIZSA-N 1 0 235.302 2.369 10 0 BEAERO C[C@H]1Sc2c(c(F)ccc2F)[C@@H]1[NH3+] ZINC000043641003 384806153 /nfs/dbraw/zinc/80/61/53/384806153.db2.gz ZPWJGQHUSPVZDI-SPGJFGJESA-N 1 0 201.241 2.459 10 0 BEAERO Cc1nc(C)c([C@H](C)[NH2+]CC2CC(O)C2)s1 ZINC000084445932 384869916 /nfs/dbraw/zinc/86/99/16/384869916.db2.gz WFABXYZOORPVSB-ARTQYDKTSA-N 1 0 240.372 2.181 10 0 BEAERO c1ccc2c3c(ccc2c1)O[C@H](C1=[NH+]CCN1)C3 ZINC000013805911 384873913 /nfs/dbraw/zinc/87/39/13/384873913.db2.gz MUJUFNFDJQUVPB-AWEZNQCLSA-N 1 0 238.290 2.145 10 0 BEAERO C[C@@H]1Cc2c([nH+]c3ccccc3c2N)[C@@]1(C)O ZINC000013766029 384874031 /nfs/dbraw/zinc/87/40/31/384874031.db2.gz LEKKTQIRJGFRFP-CLAHSXSESA-N 1 0 228.295 2.217 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](C)CCO)C(C)(C)C ZINC000308626033 384876826 /nfs/dbraw/zinc/87/68/26/384876826.db2.gz WIGFHUHNBNHYGK-WDEREUQCSA-N 1 0 201.354 2.419 10 0 BEAERO Cc1ccoc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000126958244 384843814 /nfs/dbraw/zinc/84/38/14/384843814.db2.gz PICUYSARBKOGHM-RYUDHWBXSA-N 1 0 223.316 2.229 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403714799 384854816 /nfs/dbraw/zinc/85/48/16/384854816.db2.gz YHINWRWYWSQCNF-XGFWRYKXSA-N 1 0 223.360 2.173 10 0 BEAERO CC[C@@H]([NH2+]CC(C)(C)O)c1nc(C)cs1 ZINC000112544272 384858534 /nfs/dbraw/zinc/85/85/34/384858534.db2.gz XMCGRYGEUTWUKO-SECBINFHSA-N 1 0 228.361 2.263 10 0 BEAERO CC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2O)OC ZINC000310150576 384862620 /nfs/dbraw/zinc/86/26/20/384862620.db2.gz HZPNBXSNTQAZIP-GXFFZTMASA-N 1 0 235.327 2.394 10 0 BEAERO C[C@H]1c2ccsc2CCN1CC(C)(C)[NH3+] ZINC000042781810 384862562 /nfs/dbraw/zinc/86/25/62/384862562.db2.gz DBMSCGBWYUAEPM-VIFPVBQESA-N 1 0 224.373 2.405 10 0 BEAERO C[C@@H]1C[C@@H](O)CN(c2cc[nH+]c3ccccc32)C1 ZINC000335239222 384865536 /nfs/dbraw/zinc/86/55/36/384865536.db2.gz RYBDIEQFJFRUJT-VXGBXAGGSA-N 1 0 242.322 2.442 10 0 BEAERO C/C=C/C=C\C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000255709970 384955827 /nfs/dbraw/zinc/95/58/27/384955827.db2.gz ZJLALANTRJYGGM-LRLCXNCJSA-N 1 0 236.359 2.061 10 0 BEAERO Cc1nnsc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309895566 384895123 /nfs/dbraw/zinc/89/51/23/384895123.db2.gz FUEYCPUAXDRDGP-UWVGGRQHSA-N 1 0 243.351 2.464 10 0 BEAERO CC(C)CC[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000364611574 384898023 /nfs/dbraw/zinc/89/80/23/384898023.db2.gz YZMDLFKGGFRKBS-GFCCVEGCSA-N 1 0 221.348 2.081 10 0 BEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000249328592 384906305 /nfs/dbraw/zinc/90/63/05/384906305.db2.gz OGHIACMPDPRSPV-TUAOUCFPSA-N 1 0 228.380 2.314 10 0 BEAERO CC(C)=CC[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000365551590 384906992 /nfs/dbraw/zinc/90/69/92/384906992.db2.gz HYTYPGGEHMCJOV-GFCCVEGCSA-N 1 0 219.332 2.001 10 0 BEAERO Cc1cc[nH+]c(NC[C@@H](O)C2CCCC2)c1 ZINC000301667183 384908466 /nfs/dbraw/zinc/90/84/66/384908466.db2.gz XDRGTVVQKAGFKM-GFCCVEGCSA-N 1 0 220.316 2.353 10 0 BEAERO Clc1ccc(-c2nc([C@@H]3CC[NH2+]C3)no2)cc1 ZINC000257968497 384926668 /nfs/dbraw/zinc/92/66/68/384926668.db2.gz NFDYCTSUUYQRAL-SECBINFHSA-N 1 0 249.701 2.467 10 0 BEAERO CCOc1ccccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367607710 384928269 /nfs/dbraw/zinc/92/82/69/384928269.db2.gz YHWWLJUELQYJNJ-ZSOGYDGISA-N 1 0 247.338 2.067 10 0 BEAERO Clc1cccc(-c2nc([C@@H]3CC[NH2+]C3)no2)c1 ZINC000258071639 384929513 /nfs/dbraw/zinc/92/95/13/384929513.db2.gz UUYCABFEBRBSRN-SECBINFHSA-N 1 0 249.701 2.467 10 0 BEAERO C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367626979 384934450 /nfs/dbraw/zinc/93/44/50/384934450.db2.gz QVCCBVAVASGCTJ-DOERSZECSA-N 1 0 249.329 2.239 10 0 BEAERO C[C@@H]1[C@H]([NH2+]C2COC2)C[C@@H]1c1ccccc1 ZINC000376862587 384935111 /nfs/dbraw/zinc/93/51/11/384935111.db2.gz YHVUAORSDLVZST-LEWSCRJBSA-N 1 0 217.312 2.167 10 0 BEAERO Cc1ccc(N2CCCC[C@H]2C[NH3+])cc1 ZINC000106883719 384936009 /nfs/dbraw/zinc/93/60/09/384936009.db2.gz BRJAFVJIKBQMRA-ZDUSSCGKSA-N 1 0 204.317 2.313 10 0 BEAERO Clc1cncc(CC2CC[NH2+]CC2)c1 ZINC000150232043 384971079 /nfs/dbraw/zinc/97/10/79/384971079.db2.gz OUAQTSJETZPPQJ-UHFFFAOYSA-N 1 0 210.708 2.277 10 0 BEAERO CC(C)(C)SCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370507001 384971985 /nfs/dbraw/zinc/97/19/85/384971985.db2.gz HQDMAUNFGDHIHP-GFCCVEGCSA-N 1 0 242.432 2.298 10 0 BEAERO CCc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)o1 ZINC000085973537 384976201 /nfs/dbraw/zinc/97/62/01/384976201.db2.gz QXTLHEMKICSNKE-FZMZJTMJSA-N 1 0 237.343 2.483 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC12CCC2 ZINC000336761848 384990971 /nfs/dbraw/zinc/99/09/71/384990971.db2.gz NQLZUOWBAUWRLL-WDEREUQCSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1nc2ccccc2n1C ZINC000310350670 384994233 /nfs/dbraw/zinc/99/42/33/384994233.db2.gz PEDPPLQHZJTSKH-JTQLQIEISA-N 1 0 232.331 2.113 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000086256426 385004242 /nfs/dbraw/zinc/00/42/42/385004242.db2.gz LQFLSBQHIUCFQH-STQMWFEESA-N 1 0 222.332 2.165 10 0 BEAERO COc1ncc(C[NH2+][C@H](C)C(C)C)s1 ZINC000308711788 385008946 /nfs/dbraw/zinc/00/89/46/385008946.db2.gz ZHADAXKXXJUMCC-MRVPVSSYSA-N 1 0 214.334 2.286 10 0 BEAERO CCN(CC)C(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339509665 385009387 /nfs/dbraw/zinc/00/93/87/385009387.db2.gz UDEFXAQYGUWSCZ-NSHDSACASA-N 1 0 226.364 2.022 10 0 BEAERO Cc1cc[nH+]c(NCCOCC(C)C)c1 ZINC000131061590 385071203 /nfs/dbraw/zinc/07/12/03/385071203.db2.gz DHGRHLOPHADCLF-UHFFFAOYSA-N 1 0 208.305 2.475 10 0 BEAERO Cc1c[nH]c(C[NH+]2CCCCCC2)c(C)c1=O ZINC000058823370 385024567 /nfs/dbraw/zinc/02/45/67/385024567.db2.gz XYHIZMIQIUEESS-UHFFFAOYSA-N 1 0 234.343 2.368 10 0 BEAERO CCCCC[NH2+]Cc1nccc(OC)c1OC ZINC000058824392 385025173 /nfs/dbraw/zinc/02/51/73/385025173.db2.gz HSEDQZAXPPCEKE-UHFFFAOYSA-N 1 0 238.331 2.379 10 0 BEAERO C[Si](C)(C)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000377272568 385027886 /nfs/dbraw/zinc/02/78/86/385027886.db2.gz DYIHTOKEPIQDGV-MNOVXSKESA-N 1 0 213.397 2.021 10 0 BEAERO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000308789406 385108369 /nfs/dbraw/zinc/10/83/69/385108369.db2.gz ARFVNPRTSGIQAO-KIJLLGNVSA-N 1 0 209.333 2.190 10 0 BEAERO CC(C)=CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113271605 385127240 /nfs/dbraw/zinc/12/72/40/385127240.db2.gz FHBAIIFNTGAXPE-QWHCGFSZSA-N 1 0 208.349 2.121 10 0 BEAERO Cc1ccc([C@@H]([NH3+])[C@H]2CCCOC2)s1 ZINC000062230586 385097830 /nfs/dbraw/zinc/09/78/30/385097830.db2.gz SMYDNXIGQUWOBK-ONGXEEELSA-N 1 0 211.330 2.483 10 0 BEAERO C/C=C\[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000062722349 385185181 /nfs/dbraw/zinc/18/51/81/385185181.db2.gz UOCYGISMICKYAI-RXNFCKPNSA-N 1 0 233.311 2.467 10 0 BEAERO Cc1cc(C)nc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000129751239 385185426 /nfs/dbraw/zinc/18/54/26/385185426.db2.gz ADWMHJVGKQMHBN-GXFFZTMASA-N 1 0 248.374 2.234 10 0 BEAERO C(C1CC1)[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000119748400 385196922 /nfs/dbraw/zinc/19/69/22/385196922.db2.gz WRYOGNODVYZBIM-ZIAGYGMSSA-N 1 0 239.359 2.056 10 0 BEAERO COC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000061893262 385143972 /nfs/dbraw/zinc/14/39/72/385143972.db2.gz PGGHXJSPFWPOBV-NSHDSACASA-N 1 0 213.321 2.237 10 0 BEAERO [NH3+]CCc1nc2cccc(Br)c2o1 ZINC000062533334 385209581 /nfs/dbraw/zinc/20/95/81/385209581.db2.gz GHWKCRITJXZDAK-UHFFFAOYSA-N 1 0 241.088 2.092 10 0 BEAERO Cc1ccc(CC[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000090015179 385211483 /nfs/dbraw/zinc/21/14/83/385211483.db2.gz ZIDIECMKYWTZFY-TZMCWYRMSA-N 1 0 219.328 2.305 10 0 BEAERO C[C@H](CCO)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000308860039 385223195 /nfs/dbraw/zinc/22/31/95/385223195.db2.gz RDSOYUFQOQSSCA-WOPDTQHZSA-N 1 0 217.328 2.123 10 0 BEAERO [NH3+]CCc1cccc(OCC(F)(F)F)c1 ZINC000033424907 385230812 /nfs/dbraw/zinc/23/08/12/385230812.db2.gz ONOCHPDMHCAHDO-UHFFFAOYSA-N 1 0 219.206 2.129 10 0 BEAERO c1ccn([C@H]2c3ccccc3O[C@@]23CC[NH2+]C3)c1 ZINC000029319005 385241836 /nfs/dbraw/zinc/24/18/36/385241836.db2.gz UCLXLROUZUWSAQ-LSDHHAIUSA-N 1 0 240.306 2.202 10 0 BEAERO FC(F)(F)c1ccn(C[C@@H]2CCCC[NH2+]2)n1 ZINC000043494394 385305908 /nfs/dbraw/zinc/30/59/08/385305908.db2.gz GIROXIIKCFEAGS-QMMMGPOBSA-N 1 0 233.237 2.044 10 0 BEAERO Cc1nc(-c2ccc3c(c2)OCO3)sc1C[NH3+] ZINC000057536956 385318983 /nfs/dbraw/zinc/31/89/83/385318983.db2.gz MTZLTGISLITGQF-UHFFFAOYSA-N 1 0 248.307 2.306 10 0 BEAERO CC[C@@H]([NH2+]CCn1cccn1)C(C)(C)C ZINC000308967229 385318978 /nfs/dbraw/zinc/31/89/78/385318978.db2.gz WPWITCLAZNHYBD-LLVKDONJSA-N 1 0 209.337 2.297 10 0 BEAERO Cc1ccncc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000130675886 385274782 /nfs/dbraw/zinc/27/47/82/385274782.db2.gz KPMYMWHLMZSIRJ-ZIAGYGMSSA-N 1 0 234.343 2.173 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cncs1 ZINC000153754145 385278766 /nfs/dbraw/zinc/27/87/66/385278766.db2.gz SXAVDJHHKJCBGH-AXFHLTTASA-N 1 0 240.372 2.345 10 0 BEAERO COc1ccc([C@H](C)C[NH2+]C[C@@H](C)OC)cc1 ZINC000191147490 385286882 /nfs/dbraw/zinc/28/68/82/385286882.db2.gz NUFGBVHFCAIVRE-VXGBXAGGSA-N 1 0 237.343 2.423 10 0 BEAERO CC[C@@H]([NH2+]CCn1cncn1)c1ccsc1 ZINC000294160623 385288553 /nfs/dbraw/zinc/28/85/53/385288553.db2.gz AYXDPPUYVJTRRM-LLVKDONJSA-N 1 0 236.344 2.081 10 0 BEAERO CC[C@H]([NH2+]CCn1cncn1)c1ccsc1 ZINC000294160626 385288828 /nfs/dbraw/zinc/28/88/28/385288828.db2.gz AYXDPPUYVJTRRM-NSHDSACASA-N 1 0 236.344 2.081 10 0 BEAERO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCC[C@H]1O ZINC000308923695 385293703 /nfs/dbraw/zinc/29/37/03/385293703.db2.gz CTSDINPMSNXZQD-RAIGVLPGSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000409424592 385333692 /nfs/dbraw/zinc/33/36/92/385333692.db2.gz WRRGXIPNKICCCZ-DZGCQCFKSA-N 1 0 233.355 2.322 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccsc1 ZINC000309025322 385366351 /nfs/dbraw/zinc/36/63/51/385366351.db2.gz ZPGDDEXOMSPAJF-HKWIRBFKSA-N 1 0 223.341 2.291 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CC1(C)C ZINC000309024316 385367703 /nfs/dbraw/zinc/36/77/03/385367703.db2.gz YZTWRJVZYQWPNS-GARJFASQSA-N 1 0 213.365 2.418 10 0 BEAERO CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1cccs1 ZINC000165379492 385382921 /nfs/dbraw/zinc/38/29/21/385382921.db2.gz DWQMJGXJLISUDM-AEJSXWLSSA-N 1 0 240.372 2.299 10 0 BEAERO C=Cn1cc(CN2CCO[C@@H]3CCCC[C@@H]32)cn1 ZINC000193760015 385410832 /nfs/dbraw/zinc/41/08/32/385410832.db2.gz ZHIKMPIWYVKHMD-UONOGXRCSA-N 1 0 247.342 2.127 10 0 BEAERO C[NH2+][C@H](c1cn[nH]c1)c1sccc1C ZINC000062777207 385416159 /nfs/dbraw/zinc/41/61/59/385416159.db2.gz IHZWZQQYHXEQCR-SECBINFHSA-N 1 0 207.302 2.088 10 0 BEAERO CC[C@H]([NH2+]CCN1CCCC1)C(C)(C)C ZINC000309191177 385457761 /nfs/dbraw/zinc/45/77/61/385457761.db2.gz PQRNGFZYZYOAAQ-LBPRGKRZSA-N 1 0 212.381 2.497 10 0 BEAERO c1cn2c(n1)CC[C@H](C[NH2+]C[C@@H]1CC=CCC1)C2 ZINC000275507418 385453236 /nfs/dbraw/zinc/45/32/36/385453236.db2.gz KCESEVGRFPUTBG-ZIAGYGMSSA-N 1 0 245.370 2.391 10 0 BEAERO CC(C)[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H](C)O ZINC000111230130 385497239 /nfs/dbraw/zinc/49/72/39/385497239.db2.gz WTHSYNHMHZSRNO-LBPRGKRZSA-N 1 0 249.354 2.213 10 0 BEAERO CCCCN(CCCC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111263823 385499076 /nfs/dbraw/zinc/49/90/76/385499076.db2.gz ANAPVXMKJZMSDU-CHWSQXEVSA-N 1 0 240.391 2.271 10 0 BEAERO CSCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000171635749 385504058 /nfs/dbraw/zinc/50/40/58/385504058.db2.gz BLVDYTLJEBPLTA-LBPRGKRZSA-N 1 0 239.388 2.191 10 0 BEAERO [NH3+]C1(Cc2ccc(Br)o2)CCC1 ZINC000257896258 385508714 /nfs/dbraw/zinc/50/87/14/385508714.db2.gz DBEOUJKZNMZHCO-UHFFFAOYSA-N 1 0 230.105 2.466 10 0 BEAERO Cc1noc(C)c1C[N@@H+]1CCS[C@@H](C)C1 ZINC000171701475 385510559 /nfs/dbraw/zinc/51/05/59/385510559.db2.gz CGZGZEUKCOPAQH-QMMMGPOBSA-N 1 0 226.345 2.229 10 0 BEAERO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106429665 385511145 /nfs/dbraw/zinc/51/11/45/385511145.db2.gz PNYDEBVYGBFHKK-CQSZACIVSA-N 1 0 248.370 2.028 10 0 BEAERO OC[C@@H]1C[NH2+][C@H](c2ccccc2C(F)(F)F)C1 ZINC000258061294 385529487 /nfs/dbraw/zinc/52/94/87/385529487.db2.gz UDPADZMISZGNAA-KWQFWETISA-N 1 0 245.244 2.348 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccccc1Br ZINC000036779358 385535488 /nfs/dbraw/zinc/53/54/88/385535488.db2.gz GMEAVCSSYXSQLK-UWVGGRQHSA-N 1 0 244.132 2.220 10 0 BEAERO [NH3+][C@@H]1C[C@@]12CCc1ccc(Br)cc12 ZINC000258179745 385546929 /nfs/dbraw/zinc/54/69/29/385546929.db2.gz HCPSLGJNYBFEFE-GHMZBOCLSA-N 1 0 238.128 2.364 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccc(CCO)cc2)CC1 ZINC000258184278 385551532 /nfs/dbraw/zinc/55/15/32/385551532.db2.gz MOPCQUXEVRJQKD-CQSZACIVSA-N 1 0 233.355 2.421 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000336733151 385568971 /nfs/dbraw/zinc/56/89/71/385568971.db2.gz MDGLHAYKHCHEHM-WOPDTQHZSA-N 1 0 215.312 2.141 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(C)(C)OC)C1(C)C ZINC000309411639 385573490 /nfs/dbraw/zinc/57/34/90/385573490.db2.gz BWROCSUQLHXHHV-GMTAPVOTSA-N 1 0 229.364 2.061 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000054075282 385594558 /nfs/dbraw/zinc/59/45/58/385594558.db2.gz QDJRIEWSDYYGKM-DGCLKSJQSA-N 1 0 238.375 2.166 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000054072745 385596163 /nfs/dbraw/zinc/59/61/63/385596163.db2.gz DUGXFOUJNZYZOF-DTWKUNHWSA-N 1 0 240.372 2.150 10 0 BEAERO COc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037164367 385597446 /nfs/dbraw/zinc/59/74/46/385597446.db2.gz WSKDJMPTGAXBLN-OLZOCXBDSA-N 1 0 235.327 2.088 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000037164539 385597496 /nfs/dbraw/zinc/59/74/96/385597496.db2.gz XBOPWRVNKPSTHH-VHSXEESVSA-N 1 0 241.281 2.358 10 0 BEAERO COc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037164370 385597655 /nfs/dbraw/zinc/59/76/55/385597655.db2.gz WSKDJMPTGAXBLN-STQMWFEESA-N 1 0 235.327 2.088 10 0 BEAERO CC[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290710 385609759 /nfs/dbraw/zinc/60/97/59/385609759.db2.gz FVNYDYBCFLUNHX-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO c1ccc2c(c1)C[C@@H]2CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250853533 385611530 /nfs/dbraw/zinc/61/15/30/385611530.db2.gz NTRUBZPZKLCAOZ-CABCVRRESA-N 1 0 242.366 2.106 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cscn1 ZINC000252787839 385659524 /nfs/dbraw/zinc/65/95/24/385659524.db2.gz GSYLWRYUBBFREX-GARJFASQSA-N 1 0 240.372 2.345 10 0 BEAERO [NH3+][C@H](c1coc(Br)c1)C1=COCC1 ZINC000306946161 385660789 /nfs/dbraw/zinc/66/07/89/385660789.db2.gz LBXCHBYGSXYQRA-VIFPVBQESA-N 1 0 244.088 2.346 10 0 BEAERO C[NH2+][C@@H]1CCc2nc(C(C)C)sc2C1 ZINC000211847043 385695155 /nfs/dbraw/zinc/69/51/55/385695155.db2.gz PVLOMJTYPKXPAB-MRVPVSSYSA-N 1 0 210.346 2.343 10 0 BEAERO C[C@]1(c2ccccc2Br)C[C@H]1[NH3+] ZINC000052126198 385699891 /nfs/dbraw/zinc/69/98/91/385699891.db2.gz IZDIAOOMGGLPNZ-NXEZZACHSA-N 1 0 226.117 2.438 10 0 BEAERO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)C(C)C ZINC000188445573 385706757 /nfs/dbraw/zinc/70/67/57/385706757.db2.gz WVMJYSJLEDKBSC-GFCCVEGCSA-N 1 0 243.395 2.014 10 0 BEAERO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)C(C)C ZINC000188445550 385707205 /nfs/dbraw/zinc/70/72/05/385707205.db2.gz WVMJYSJLEDKBSC-LBPRGKRZSA-N 1 0 243.395 2.014 10 0 BEAERO Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336688100 385708060 /nfs/dbraw/zinc/70/80/60/385708060.db2.gz JMTSPTDQRVWQKI-GHMZBOCLSA-N 1 0 225.311 2.038 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000309583018 385715140 /nfs/dbraw/zinc/71/51/40/385715140.db2.gz RCOASHRCCUVRGK-OLZOCXBDSA-N 1 0 228.355 2.200 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)o1 ZINC000230197246 385716762 /nfs/dbraw/zinc/71/67/62/385716762.db2.gz JRQILWXUUHRMCA-BXUZGUMPSA-N 1 0 237.343 2.483 10 0 BEAERO c1cn2c(n1)CC[C@@H]([NH2+]C1CCCCC1)C2 ZINC000309672514 385786257 /nfs/dbraw/zinc/78/62/57/385786257.db2.gz KMZWZUOUYALGTC-GFCCVEGCSA-N 1 0 219.332 2.120 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccncc1 ZINC000271063534 385781093 /nfs/dbraw/zinc/78/10/93/385781093.db2.gz IDHJDGRVWUEEES-FPMFFAJLSA-N 1 0 234.343 2.283 10 0 BEAERO CCOC(=O)N1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616584076 385721258 /nfs/dbraw/zinc/72/12/58/385721258.db2.gz HUXSATDRDKMRTN-CYBMUJFWSA-N 1 0 248.326 2.091 10 0 BEAERO CC[N@@H+]1CCCCC[C@H]1c1cncnc1 ZINC000616621712 385806380 /nfs/dbraw/zinc/80/63/80/385806380.db2.gz ODPIIZDRDJWFEK-LBPRGKRZSA-N 1 0 205.305 2.414 10 0 BEAERO CCS[C@@H]1CCCC[N@H+](CC(C)(C)O)C1 ZINC000112088201 385832264 /nfs/dbraw/zinc/83/22/64/385832264.db2.gz XELVASNOHIKXRV-LLVKDONJSA-N 1 0 231.405 2.365 10 0 BEAERO [NH3+]Cc1cc(OCc2ccccc2)ccn1 ZINC000051523241 385841180 /nfs/dbraw/zinc/84/11/80/385841180.db2.gz AHSTYWKFBZIPLI-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(c2nccs2)CS1 ZINC000575533451 385893819 /nfs/dbraw/zinc/89/38/19/385893819.db2.gz BRQRVOBVKPPMCY-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO CC(C)CC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121686151 385899141 /nfs/dbraw/zinc/89/91/41/385899141.db2.gz JFUZMOZVZCNZIQ-NSHDSACASA-N 1 0 222.336 2.378 10 0 BEAERO CCNC(=[NH2+])c1ccc(F)cc1Cl ZINC000062994593 385917501 /nfs/dbraw/zinc/91/75/01/385917501.db2.gz XZFOJOPCZRRVGR-UHFFFAOYSA-N 1 0 200.644 2.414 10 0 BEAERO CNC(=[NH2+])Cc1ccc(F)cc1Cl ZINC000062994515 385917632 /nfs/dbraw/zinc/91/76/32/385917632.db2.gz JRSKRRBPYHIHNP-UHFFFAOYSA-N 1 0 200.644 2.218 10 0 BEAERO CC[C@H](CCO)[NH2+][C@H]1CCC[C@H]1CCF ZINC000336725844 385862890 /nfs/dbraw/zinc/86/28/90/385862890.db2.gz GLQJAXFHDBDECD-TUAOUCFPSA-N 1 0 217.328 2.265 10 0 BEAERO CCOC(=O)c1ccccc1[C@@H]1CC[N@H+](C)C1 ZINC000260465615 385866463 /nfs/dbraw/zinc/86/64/63/385866463.db2.gz RKLFFWDNPBIXSE-LLVKDONJSA-N 1 0 233.311 2.282 10 0 BEAERO c1ccc2oc(N3CCC4(CC[NH2+]4)CC3)nc2c1 ZINC000335018245 385976220 /nfs/dbraw/zinc/97/62/20/385976220.db2.gz REARTMDUAKZPDX-UHFFFAOYSA-N 1 0 243.310 2.160 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCSC2)C12CCC2 ZINC000336769675 385987262 /nfs/dbraw/zinc/98/72/62/385987262.db2.gz SGCYTUXIAJVJMI-NOOOWODRSA-N 1 0 241.400 2.285 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(CCC)CC(C)C ZINC000309011551 385935994 /nfs/dbraw/zinc/93/59/94/385935994.db2.gz PEFFVWFTKBIMNH-NSHDSACASA-N 1 0 214.353 2.008 10 0 BEAERO Fc1ccc(COC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000051816558 385940554 /nfs/dbraw/zinc/94/05/54/385940554.db2.gz JPZFSWKPRPLJQS-NSHDSACASA-N 1 0 227.254 2.233 10 0 BEAERO C[C@H](O)CC[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000219858961 385946998 /nfs/dbraw/zinc/94/69/98/385946998.db2.gz DETPGVTVHZDHQY-AAEUAGOBSA-N 1 0 219.328 2.029 10 0 BEAERO CCc1csc(N2CCC3(CC[NH2+]3)CC2)n1 ZINC000335015834 385973318 /nfs/dbraw/zinc/97/33/18/385973318.db2.gz DLQJLJPDRNIUDV-UHFFFAOYSA-N 1 0 237.372 2.038 10 0 BEAERO C[C@@H]1OCC[C@@]1([NH3+])c1ccsc1Cl ZINC000575559573 386008327 /nfs/dbraw/zinc/00/83/27/386008327.db2.gz IMYCYVDQVMPZJB-RCOVLWMOSA-N 1 0 217.721 2.364 10 0 BEAERO COc1cccnc1N[C@@H](C)CCCC[NH3+] ZINC000309445024 386010047 /nfs/dbraw/zinc/01/00/47/386010047.db2.gz MRLXYIZTLUSJIY-JTQLQIEISA-N 1 0 223.320 2.020 10 0 BEAERO CC(C)OC1CC([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000189539505 386022502 /nfs/dbraw/zinc/02/25/02/386022502.db2.gz DIVWMQNNLZYXEV-BLYZHGLHSA-N 1 0 241.375 2.083 10 0 BEAERO CC(=O)Nc1ccc(N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000128834583 386029378 /nfs/dbraw/zinc/02/93/78/386029378.db2.gz NWTKXHUUEXWPLZ-GFCCVEGCSA-N 1 0 247.342 2.199 10 0 BEAERO CC[C@H](C)[C@](C)([NH2+]Cc1ccccc1)C(N)=O ZINC000037941177 386104695 /nfs/dbraw/zinc/10/46/95/386104695.db2.gz CUJTWMHGMFJWCB-FZMZJTMJSA-N 1 0 234.343 2.066 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1nccn1C ZINC000336738559 386106039 /nfs/dbraw/zinc/10/60/39/386106039.db2.gz OIZBZTITDNFVPZ-RYUDHWBXSA-N 1 0 221.348 2.479 10 0 BEAERO C[C@H](C[NH3+])CNC(=O)c1cccc2ccccc21 ZINC000054139918 386111254 /nfs/dbraw/zinc/11/12/54/386111254.db2.gz WIYDSZLVIFGFGZ-LLVKDONJSA-N 1 0 242.322 2.164 10 0 BEAERO C[C@@H]([NH3+])c1cnc(-c2ccncc2)s1 ZINC000054159291 386112247 /nfs/dbraw/zinc/11/22/47/386112247.db2.gz QJJRTXALWSPHIW-SSDOTTSWSA-N 1 0 205.286 2.225 10 0 BEAERO COCc1ccc(C[NH2+][C@H](COC)C2CC2)cc1 ZINC000124467876 386061287 /nfs/dbraw/zinc/06/12/87/386061287.db2.gz FZKFPSSWKAEWRA-OAHLLOKOSA-N 1 0 249.354 2.348 10 0 BEAERO C[C@H]1CCc2ccccc2N1CCC[NH3+] ZINC000019406070 386090205 /nfs/dbraw/zinc/09/02/05/386090205.db2.gz CPVASPPYXIXZDW-NSHDSACASA-N 1 0 204.317 2.177 10 0 BEAERO C[C@@H]1CCc2ccccc2N1CCC[NH3+] ZINC000019406067 386090432 /nfs/dbraw/zinc/09/04/32/386090432.db2.gz CPVASPPYXIXZDW-LLVKDONJSA-N 1 0 204.317 2.177 10 0 BEAERO CC(C)(C)OC(=O)C1CCC(C[NH3+])CC1 ZINC000086480540 386152093 /nfs/dbraw/zinc/15/20/93/386152093.db2.gz IVWIMGAJPJCWHY-UHFFFAOYSA-N 1 0 213.321 2.093 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](c2occc2Br)O1 ZINC000307185398 386154122 /nfs/dbraw/zinc/15/41/22/386154122.db2.gz IFXWLZBETVWZGS-XPUUQOCRSA-N 1 0 246.104 2.221 10 0 BEAERO C[C@@H]1COC[C@]1([NH3+])c1ccsc1Cl ZINC000575573297 386162961 /nfs/dbraw/zinc/16/29/61/386162961.db2.gz WSVOSOPBGOYRHM-HZGVNTEJSA-N 1 0 217.721 2.222 10 0 BEAERO Cc1ccnc(N2CC[C@H]([NH3+])[C@@H](C)C2)c1Cl ZINC000335300814 386165155 /nfs/dbraw/zinc/16/51/55/386165155.db2.gz SRFIQVCNOAMMLX-UWVGGRQHSA-N 1 0 239.750 2.217 10 0 BEAERO C[C@H](O)C1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000235578996 386175944 /nfs/dbraw/zinc/17/59/44/386175944.db2.gz UZFFZCAGLBIIJQ-WFASDCNBSA-N 1 0 245.366 2.419 10 0 BEAERO Cc1sccc1[C@@H]1OCCC[C@H]1C[NH3+] ZINC000307183017 386140320 /nfs/dbraw/zinc/14/03/20/386140320.db2.gz WYVYAUJQXQTAPA-GXSJLCMTSA-N 1 0 211.330 2.483 10 0 BEAERO Cc1ncc([C@]2([NH3+])CCS[C@@H]2C)s1 ZINC000575571401 386142081 /nfs/dbraw/zinc/14/20/81/386142081.db2.gz UZKAKMVCDADOMK-MUWHJKNJSA-N 1 0 214.359 2.131 10 0 BEAERO C/C=C/[C@H]([NH3+])c1ncsc1Br ZINC000575588095 386305948 /nfs/dbraw/zinc/30/59/48/386305948.db2.gz HGJNTHYIYGSZTM-HRJJCQLASA-N 1 0 233.134 2.482 10 0 BEAERO Cc1cccc(C)c1NC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335278815 386345876 /nfs/dbraw/zinc/34/58/76/386345876.db2.gz PYDCOSQTSFDCDS-NWDGAFQWSA-N 1 0 247.342 2.257 10 0 BEAERO Cc1cccc(NC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000335268899 386351172 /nfs/dbraw/zinc/35/11/72/386351172.db2.gz KBNJRNYEBZYVRY-NEPJUHHUSA-N 1 0 247.342 2.257 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366346260 386375863 /nfs/dbraw/zinc/37/58/63/386375863.db2.gz KSEJRHUFJRVJEY-FRRDWIJNSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@]1(c2nc(-c3cccnc3)no2)CCCC[NH2+]1 ZINC000133833904 386378611 /nfs/dbraw/zinc/37/86/11/386378611.db2.gz ZDISDMZBMMGGSI-CYBMUJFWSA-N 1 0 244.298 2.120 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000347393055 386379752 /nfs/dbraw/zinc/37/97/52/386379752.db2.gz MCKFZDKIIBPPHZ-UONOGXRCSA-N 1 0 241.375 2.183 10 0 BEAERO CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366344216 386379958 /nfs/dbraw/zinc/37/99/58/386379958.db2.gz FFARPEPLDYMTHL-QJPTWQEYSA-N 1 0 238.375 2.151 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000336775007 386380452 /nfs/dbraw/zinc/38/04/52/386380452.db2.gz XUQWYPXZKMFEFB-FIQHERPVSA-N 1 0 229.364 2.203 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1nc2ccccc2o1 ZINC000399196931 386446775 /nfs/dbraw/zinc/44/67/75/386446775.db2.gz DMKAZUKLAINNEG-WDEREUQCSA-N 1 0 246.310 2.173 10 0 BEAERO C[C@@H]1C[C@@H](C)CC([NH3+])(C(=O)OC(C)(C)C)C1 ZINC000521401013 386450660 /nfs/dbraw/zinc/45/06/60/386450660.db2.gz VGXBIEBGSDJOHR-NXEZZACHSA-N 1 0 227.348 2.482 10 0 BEAERO Cc1nocc1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000339387132 386398451 /nfs/dbraw/zinc/39/84/51/386398451.db2.gz DXEPVVWLRNDIGU-UWVGGRQHSA-N 1 0 238.331 2.276 10 0 BEAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC(F)(F)C1 ZINC000277140840 386410664 /nfs/dbraw/zinc/41/06/64/386410664.db2.gz PGNKBRBGXOFULB-JTQLQIEISA-N 1 0 241.285 2.185 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000135283137 386499623 /nfs/dbraw/zinc/49/96/23/386499623.db2.gz JOXLXCZFBIDELT-OLZOCXBDSA-N 1 0 238.375 2.310 10 0 BEAERO [NH3+][C@@H]1CCOc2cc(F)cc(Br)c21 ZINC000238619824 386512844 /nfs/dbraw/zinc/51/28/44/386512844.db2.gz YSWPWJMKDVVYGT-SSDOTTSWSA-N 1 0 246.079 2.371 10 0 BEAERO Cc1cc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cs1 ZINC000399209647 386455784 /nfs/dbraw/zinc/45/57/84/386455784.db2.gz QFOLGVOUNZXTFN-CABZTGNLSA-N 1 0 225.357 2.402 10 0 BEAERO CC(C)(C)[C@@H]1CCC[C@@]1([NH3+])c1ncc[nH]1 ZINC000521401703 386460761 /nfs/dbraw/zinc/46/07/61/386460761.db2.gz NATQVRRMWWNESM-CABZTGNLSA-N 1 0 207.321 2.410 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000336644573 386594372 /nfs/dbraw/zinc/59/43/72/386594372.db2.gz CHOWTIBLUQBHTM-RISCZKNCSA-N 1 0 222.376 2.391 10 0 BEAERO CSCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000187782139 386594687 /nfs/dbraw/zinc/59/46/87/386594687.db2.gz KCOHUJGHGBJIHU-NWDGAFQWSA-N 1 0 239.388 2.319 10 0 BEAERO C[C@]1(CN2Cc3ccccc3C2)CC[NH2+]C1 ZINC000062912353 386531932 /nfs/dbraw/zinc/53/19/32/386531932.db2.gz IJVMJWNZACCMMK-AWEZNQCLSA-N 1 0 216.328 2.002 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nc2ccccc2[nH]1 ZINC000320571679 386619747 /nfs/dbraw/zinc/61/97/47/386619747.db2.gz SKWIDEKRINGKPB-BDAKNGLRSA-N 1 0 218.304 2.101 10 0 BEAERO Cc1cnc(C)c(N[C@H](C)CCCC[NH3+])n1 ZINC000336646049 386624998 /nfs/dbraw/zinc/62/49/98/386624998.db2.gz DNQXBEBWEUJYDL-SECBINFHSA-N 1 0 222.336 2.023 10 0 BEAERO CCN(CC)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336782301 386626069 /nfs/dbraw/zinc/62/60/69/386626069.db2.gz XEZSSLDFOGGOPB-STQMWFEESA-N 1 0 230.371 2.446 10 0 BEAERO C[C@@H]1CCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307414761 386645867 /nfs/dbraw/zinc/64/58/67/386645867.db2.gz MHBCOARUUKCLBM-YPMHNXCESA-N 1 0 231.343 2.489 10 0 BEAERO [NH3+][C@H](Cc1cccnc1)c1cccs1 ZINC000053130858 386664443 /nfs/dbraw/zinc/66/44/43/386664443.db2.gz PNJOOJXMPPETQT-SNVBAGLBSA-N 1 0 204.298 2.386 10 0 BEAERO c1cc2c(s1)CCC[C@H]2[NH2+]CCn1cncn1 ZINC000268807984 386665706 /nfs/dbraw/zinc/66/57/06/386665706.db2.gz IGUPTTMHEYRMFE-LLVKDONJSA-N 1 0 248.355 2.007 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@H]1CC12CCOCC2 ZINC000336738978 386668557 /nfs/dbraw/zinc/66/85/57/386668557.db2.gz RXURLWFQRMCXOU-VXGBXAGGSA-N 1 0 211.349 2.439 10 0 BEAERO C[C@@H](CNC(=O)Nc1ccccc1)[NH+]1CCCC1 ZINC000027350773 386681051 /nfs/dbraw/zinc/68/10/51/386681051.db2.gz BKYGPBVPKHMCBR-LBPRGKRZSA-N 1 0 247.342 2.292 10 0 BEAERO CC(C)[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000647960726 386731536 /nfs/dbraw/zinc/73/15/36/386731536.db2.gz FBFXKWWJZREYOY-DGCLKSJQSA-N 1 0 211.349 2.410 10 0 BEAERO Cc1c(C[NH2+][C@@H]2CCCC(F)(F)C2)cnn1C ZINC000334148469 386744886 /nfs/dbraw/zinc/74/48/86/386744886.db2.gz GDYRCWCLUTWYPB-LLVKDONJSA-N 1 0 243.301 2.396 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cccc(N)n2)C1 ZINC000616616966 386761754 /nfs/dbraw/zinc/76/17/54/386761754.db2.gz CDFFAKJVVKFFPU-LLVKDONJSA-N 1 0 219.332 2.252 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000293248655 386788515 /nfs/dbraw/zinc/78/85/15/386788515.db2.gz LWGOHSVCUCHDMM-SCZZXKLOSA-N 1 0 241.718 2.313 10 0 BEAERO F[C@@H](c1occc1Br)C1C[NH2+]C1 ZINC000575450350 386797172 /nfs/dbraw/zinc/79/71/72/386797172.db2.gz HQDCZHOYQLYGPF-SSDOTTSWSA-N 1 0 234.068 2.272 10 0 BEAERO C[C@@]([NH3+])(c1ccsn1)c1cccs1 ZINC000575453834 386829073 /nfs/dbraw/zinc/82/90/73/386829073.db2.gz AOUWXFNXFQSSNE-SECBINFHSA-N 1 0 210.327 2.427 10 0 BEAERO C(C1CCC1)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334791221 386856523 /nfs/dbraw/zinc/85/65/23/386856523.db2.gz XZPBNWIXKGZDPK-CHWSQXEVSA-N 1 0 221.344 2.287 10 0 BEAERO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000335747225 386869935 /nfs/dbraw/zinc/86/99/35/386869935.db2.gz HQZASUICNCXOKG-DTWKUNHWSA-N 1 0 237.265 2.174 10 0 BEAERO CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336739340 386879575 /nfs/dbraw/zinc/87/95/75/386879575.db2.gz SLVTYVKJQUQUFL-GRYCIOLGSA-N 1 0 217.328 2.265 10 0 BEAERO Cc1cnc(NC[C@@H]2CCC[N@H+]2CC(C)C)nc1 ZINC000301841895 386883557 /nfs/dbraw/zinc/88/35/57/386883557.db2.gz PWYRNTYHRCXRCZ-ZDUSSCGKSA-N 1 0 248.374 2.317 10 0 BEAERO C[C@H]1CC(C)(C)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000334854425 386905086 /nfs/dbraw/zinc/90/50/86/386905086.db2.gz MXRGYIRBIBGOLL-RYUDHWBXSA-N 1 0 210.365 2.106 10 0 BEAERO C[C@H]1CCC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000334855437 386907585 /nfs/dbraw/zinc/90/75/85/386907585.db2.gz XLFAUAQMAJKAEH-DTWKUNHWSA-N 1 0 221.304 2.311 10 0 BEAERO CC(C)[C@](C)(O)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368086692 386939184 /nfs/dbraw/zinc/93/91/84/386939184.db2.gz CAHTYDDDSXUFBZ-JHJVBQTASA-N 1 0 211.349 2.268 10 0 BEAERO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000398699631 386953788 /nfs/dbraw/zinc/95/37/88/386953788.db2.gz SLOXQRJVPYSGAL-IPYPFGDCSA-N 1 0 245.366 2.277 10 0 BEAERO CCCCC[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000117880088 387030152 /nfs/dbraw/zinc/03/01/52/387030152.db2.gz NHVBXJWQHJASAW-CQSZACIVSA-N 1 0 242.407 2.219 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])[C@]1(C)C[C@@H]1F ZINC000575457681 387030214 /nfs/dbraw/zinc/03/02/14/387030214.db2.gz KWSSLPDNYLWHBH-CNUIFLNQSA-N 1 0 200.282 2.199 10 0 BEAERO CCCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000117881713 387031778 /nfs/dbraw/zinc/03/17/78/387031778.db2.gz RLEDJYYQZGHPBQ-CYBMUJFWSA-N 1 0 236.363 2.180 10 0 BEAERO CC(C)c1cnc(N[C@H]2CC[NH2+]C2)s1 ZINC000334980880 387067557 /nfs/dbraw/zinc/06/75/57/387067557.db2.gz PNPQBFDGRFLJQF-QMMMGPOBSA-N 1 0 211.334 2.040 10 0 BEAERO [NH3+][C@H](c1cncs1)C1CC(F)(F)C1 ZINC000575462872 387041764 /nfs/dbraw/zinc/04/17/64/387041764.db2.gz XQLGRXALWGMRAZ-ZETCQYMHSA-N 1 0 204.245 2.188 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1cccc(C)c1 ZINC000336785386 387050703 /nfs/dbraw/zinc/05/07/03/387050703.db2.gz DCWKMGXEDKEPMM-UONOGXRCSA-N 1 0 246.354 2.314 10 0 BEAERO CCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398849404 387009065 /nfs/dbraw/zinc/00/90/65/387009065.db2.gz MEVUVSJJXWAPIN-YNEHKIRRSA-N 1 0 211.349 2.269 10 0 BEAERO c1cncc(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000246321246 387071534 /nfs/dbraw/zinc/07/15/34/387071534.db2.gz FMSIOIARHLEVPE-HUUCEWRRSA-N 1 0 246.354 2.268 10 0 BEAERO c1cncc(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000246321233 387072083 /nfs/dbraw/zinc/07/20/83/387072083.db2.gz FMSIOIARHLEVPE-CABCVRRESA-N 1 0 246.354 2.268 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1ccccc1F ZINC000119406712 387130304 /nfs/dbraw/zinc/13/03/04/387130304.db2.gz YCOZVRSLUBTYLY-ZDUSSCGKSA-N 1 0 225.307 2.419 10 0 BEAERO C[NH2+][C@@H]1CO[C@H](c2occc2Br)C1 ZINC000575468489 387074872 /nfs/dbraw/zinc/07/48/72/387074872.db2.gz YZEAWUQZKHXASC-XPUUQOCRSA-N 1 0 246.104 2.092 10 0 BEAERO [NH3+]Cc1csc2c1CCC(F)(F)C2 ZINC000575467643 387077346 /nfs/dbraw/zinc/07/73/46/387077346.db2.gz QIQOPKVIOHRJJR-UHFFFAOYSA-N 1 0 203.257 2.331 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccncc1 ZINC000246376887 387080620 /nfs/dbraw/zinc/08/06/20/387080620.db2.gz AUAUCKROQXDMJO-GJZGRUSLSA-N 1 0 245.370 2.140 10 0 BEAERO c1coc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000228348929 387083292 /nfs/dbraw/zinc/08/32/92/387083292.db2.gz SVJDKBOMLLMHLU-XQQFMLRXSA-N 1 0 221.300 2.327 10 0 BEAERO Cc1ncsc1[C@H](F)[C@@H]1CCC[NH2+]1 ZINC000575469240 387088664 /nfs/dbraw/zinc/08/86/64/387088664.db2.gz OQZZUCYQDRIPSA-JGVFFNPUSA-N 1 0 200.282 2.214 10 0 BEAERO O=C(c1ccccc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186490216 387098191 /nfs/dbraw/zinc/09/81/91/387098191.db2.gz WNLDOVIROKEDMQ-CYBMUJFWSA-N 1 0 244.338 2.043 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000418090402 387098617 /nfs/dbraw/zinc/09/86/17/387098617.db2.gz CMXJJBNMCSWNCR-PMPSAXMXSA-N 1 0 244.382 2.474 10 0 BEAERO CC(=O)Oc1cccc([C@H]([NH3+])CC(F)F)c1 ZINC000575437625 387109546 /nfs/dbraw/zinc/10/95/46/387109546.db2.gz KOXQLTDOLRXXTL-SNVBAGLBSA-N 1 0 229.226 2.267 10 0 BEAERO COc1ccc(F)c([C@H]([NH3+])CC(F)F)c1 ZINC000575437642 387109804 /nfs/dbraw/zinc/10/98/04/387109804.db2.gz LMWQHSCFFSFFJY-SECBINFHSA-N 1 0 219.206 2.489 10 0 BEAERO COc1cccc(F)c1[C@@H]([NH3+])CCF ZINC000575437876 387110586 /nfs/dbraw/zinc/11/05/86/387110586.db2.gz AVQDCEWJEBPPAO-QMMMGPOBSA-N 1 0 201.216 2.194 10 0 BEAERO CC(=O)Nc1ccc([C@H]([NH3+])CC(F)F)cc1 ZINC000575437833 387110653 /nfs/dbraw/zinc/11/06/53/387110653.db2.gz VSUHTHQNVJAEEV-SNVBAGLBSA-N 1 0 228.242 2.300 10 0 BEAERO COc1cccc(F)c1[C@H]([NH3+])CC(F)F ZINC000575437906 387112788 /nfs/dbraw/zinc/11/27/88/387112788.db2.gz XZYBQDXIOLMLOR-SSDOTTSWSA-N 1 0 219.206 2.489 10 0 BEAERO [NH3+][C@H](CCF)c1cc(F)cc(F)c1F ZINC000575438873 387119034 /nfs/dbraw/zinc/11/90/34/387119034.db2.gz DTBAAZXWBIEKRL-MRVPVSSYSA-N 1 0 207.170 2.463 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1cc(C(C)C)ncn1 ZINC000070543151 387120448 /nfs/dbraw/zinc/12/04/48/387120448.db2.gz OUKVFBWNVXXVEI-LLVKDONJSA-N 1 0 236.363 2.385 10 0 BEAERO [NH3+]CCC[C@@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575439400 387124494 /nfs/dbraw/zinc/12/44/94/387124494.db2.gz IUXQQDXVRQRBBC-SECBINFHSA-N 1 0 249.141 2.438 10 0 BEAERO [NH3+]CC[C@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575440171 387127979 /nfs/dbraw/zinc/12/79/79/387127979.db2.gz MEDFFGYKCPXMGK-QMMMGPOBSA-N 1 0 235.114 2.048 10 0 BEAERO [NH3+][C@H](CCF)c1cc2c(cc1Cl)OCO2 ZINC000575438368 387129077 /nfs/dbraw/zinc/12/90/77/387129077.db2.gz JOPJSKBZFUPPPS-MRVPVSSYSA-N 1 0 231.654 2.428 10 0 BEAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186978342 387159617 /nfs/dbraw/zinc/15/96/17/387159617.db2.gz XZGYJJRGBOYREV-GFCCVEGCSA-N 1 0 241.375 2.038 10 0 BEAERO CCn1ccc([C@@H]2C[NH2+]C[C@]2(C)CC)n1 ZINC000536951482 387163885 /nfs/dbraw/zinc/16/38/85/387163885.db2.gz RJQJYQWXEPODPT-JQWIXIFHSA-N 1 0 207.321 2.006 10 0 BEAERO C/C=C/[C@@H]([NH3+])c1ncsc1Br ZINC000575588096 387176858 /nfs/dbraw/zinc/17/68/58/387176858.db2.gz HGJNTHYIYGSZTM-WVSAJJKCSA-N 1 0 233.134 2.482 10 0 BEAERO C[C@@H]([NH3+])[C@H](O)c1cc2cscc2s1 ZINC000575479557 387177367 /nfs/dbraw/zinc/17/73/67/387177367.db2.gz ONLBEWOCDKPQME-ANLVUFKYSA-N 1 0 213.327 2.343 10 0 BEAERO Cn1cc([C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000120144387 387189334 /nfs/dbraw/zinc/18/93/34/387189334.db2.gz XOWSGFNHLUEJSJ-NSHDSACASA-N 1 0 219.332 2.152 10 0 BEAERO CC1(C)Cc2cccc(C[NH2+]C3(CO)CC3)c2O1 ZINC000120350682 387231882 /nfs/dbraw/zinc/23/18/82/387231882.db2.gz LFQOJUZMPNHTKS-UHFFFAOYSA-N 1 0 247.338 2.015 10 0 BEAERO Cc1cc(C)c(C[NH2+]C2(CO)CC2)cc1C ZINC000120371411 387234530 /nfs/dbraw/zinc/23/45/30/387234530.db2.gz BWXHULLLNZYNIT-UHFFFAOYSA-N 1 0 219.328 2.226 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c(C)n1 ZINC000187496020 387199850 /nfs/dbraw/zinc/19/98/50/387199850.db2.gz NAIFCSMVIOXLCB-GXTWGEPZSA-N 1 0 234.343 2.356 10 0 BEAERO COCCc1ccnc(NCC2CC2)c1 ZINC000285428099 387264742 /nfs/dbraw/zinc/26/47/42/387264742.db2.gz HHCUXDZRTRNCIZ-UHFFFAOYSA-N 1 0 206.289 2.092 10 0 BEAERO Cc1ncc([C@H]([NH3+])[C@H]2CCSC2)s1 ZINC000575491560 387277021 /nfs/dbraw/zinc/27/70/21/387277021.db2.gz XQHLUWLDVGSQSO-IONNQARKSA-N 1 0 214.359 2.204 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000285707790 387281263 /nfs/dbraw/zinc/28/12/63/387281263.db2.gz PJMATPSIJIWKCB-RYUDHWBXSA-N 1 0 225.311 2.001 10 0 BEAERO CCCC[C@H](CC)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392873125 387295582 /nfs/dbraw/zinc/29/55/82/387295582.db2.gz FJRNMEODOLIZED-AGIUHOORSA-N 1 0 240.391 2.460 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2cc(Cl)cs2)C1 ZINC000575506462 387373024 /nfs/dbraw/zinc/37/30/24/387373024.db2.gz AHPFERQKRSVZDE-RQJHMYQMSA-N 1 0 203.694 2.190 10 0 BEAERO CC1([C@H](O)c2ccc(Cl)s2)C[NH2+]C1 ZINC000575497804 387325962 /nfs/dbraw/zinc/32/59/62/387325962.db2.gz LWGUSJJNHNUFJC-MRVPVSSYSA-N 1 0 217.721 2.044 10 0 BEAERO C[C@]1(c2cncc(Br)c2)C[C@H]1C[NH3+] ZINC000575499418 387340455 /nfs/dbraw/zinc/34/04/55/387340455.db2.gz KVFUASHOIJPDKG-WCBMZHEXSA-N 1 0 241.132 2.080 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1CC[C@H]2C[C@H]2C1 ZINC000575499827 387344581 /nfs/dbraw/zinc/34/45/81/387344581.db2.gz OSRPPMRKRKLQPS-STQMWFEESA-N 1 0 229.327 2.053 10 0 BEAERO [NH3+][C@]1(c2nccs2)CCCSCC1 ZINC000575517343 387429459 /nfs/dbraw/zinc/42/94/59/387429459.db2.gz DTKKFFJCBDGMJR-SECBINFHSA-N 1 0 214.359 2.214 10 0 BEAERO CC1(C)[C@H]([NH3+])C[C@]1(F)c1cncs1 ZINC000575517744 387433833 /nfs/dbraw/zinc/43/38/33/387433833.db2.gz IKAWWHOXEYHPIS-MUWHJKNJSA-N 1 0 200.282 2.065 10 0 BEAERO CCOc1cc(OCC)c(C[NH3+])cc1F ZINC000575720556 387443445 /nfs/dbraw/zinc/44/34/45/387443445.db2.gz AFMJCWSQDDFXMR-UHFFFAOYSA-N 1 0 213.252 2.082 10 0 BEAERO C[C@@H]1CS[C@@H]2CC(F)(F)CC[C@H]2[NH2+]1 ZINC000575521176 387452298 /nfs/dbraw/zinc/45/22/98/387452298.db2.gz YARWSNZULMWZPT-BWZBUEFSSA-N 1 0 207.289 2.268 10 0 BEAERO C[C@@]1(C(N)=S)CC[N@H+](Cc2ccccc2)C1 ZINC000575523507 387458247 /nfs/dbraw/zinc/45/82/47/387458247.db2.gz LRHDVDKAQNYVLX-CYBMUJFWSA-N 1 0 234.368 2.185 10 0 BEAERO O[C@H](c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000575513479 387387585 /nfs/dbraw/zinc/38/75/85/387387585.db2.gz AXCLQDLJARAKFS-RCOVLWMOSA-N 1 0 217.721 2.044 10 0 BEAERO [NH3+][C@@H](c1cncs1)[C@@H]1CCCS1 ZINC000575514533 387390099 /nfs/dbraw/zinc/39/00/99/387390099.db2.gz KRPBRWAMRFAEOC-POYBYMJQSA-N 1 0 200.332 2.039 10 0 BEAERO [NH3+][C@H](c1cncs1)[C@@H]1CCCS1 ZINC000575514541 387390263 /nfs/dbraw/zinc/39/02/63/387390263.db2.gz KRPBRWAMRFAEOC-XPUUQOCRSA-N 1 0 200.332 2.039 10 0 BEAERO Cc1nnc(SC[C@H]2CC[C@@H]([NH3+])C2)s1 ZINC000306570200 387396617 /nfs/dbraw/zinc/39/66/17/387396617.db2.gz YDHYMEFTVFDNIM-JGVFFNPUSA-N 1 0 229.374 2.066 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCCN(C)C2)s1 ZINC000051718651 387406614 /nfs/dbraw/zinc/40/66/14/387406614.db2.gz YPDIJQANFGSHDP-NSHDSACASA-N 1 0 238.400 2.494 10 0 BEAERO C[C@@]1([C@H]([NH3+])c2cncs2)CCCS1 ZINC000575515262 387422075 /nfs/dbraw/zinc/42/20/75/387422075.db2.gz PRSXKYVIARDAGT-BDAKNGLRSA-N 1 0 214.359 2.429 10 0 BEAERO C[C@H](NC(=O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000192786790 387494674 /nfs/dbraw/zinc/49/46/74/387494674.db2.gz BVGAYUGKQAKWQC-VIFPVBQESA-N 1 0 240.734 2.079 10 0 BEAERO CC[NH+](CC)Cc1c(O)c(=O)oc2ccccc21 ZINC000584626207 387503950 /nfs/dbraw/zinc/50/39/50/387503950.db2.gz GMCDGBLJPYLCFN-UHFFFAOYSA-N 1 0 247.294 2.340 10 0 BEAERO C[NH2+][C@H]1CCCN([C@H](C)c2ccco2)C1 ZINC000053201239 387531672 /nfs/dbraw/zinc/53/16/72/387531672.db2.gz GDKHFJUURUXTQX-MNOVXSKESA-N 1 0 208.305 2.024 10 0 BEAERO C[C@@H]1NCCC[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000396696114 387485675 /nfs/dbraw/zinc/48/56/75/387485675.db2.gz FATWZOKLUVMXLT-GDLCADMTSA-N 1 0 222.376 2.295 10 0 BEAERO CCCCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000123540628 387586693 /nfs/dbraw/zinc/58/66/93/387586693.db2.gz SIOANTUMNHDEGS-UHFFFAOYSA-N 1 0 232.327 2.461 10 0 BEAERO [NH3+][C@H]1CCC[C@@](F)(c2ccsn2)C1 ZINC000306348176 387592143 /nfs/dbraw/zinc/59/21/43/387592143.db2.gz GIWPFTHDLPMCJC-CBAPKCEASA-N 1 0 200.282 2.209 10 0 BEAERO [NH3+][C@@H]1CCC[C@@](F)(c2ccsn2)C1 ZINC000306348175 387592535 /nfs/dbraw/zinc/59/25/35/387592535.db2.gz GIWPFTHDLPMCJC-APPZFPTMSA-N 1 0 200.282 2.209 10 0 BEAERO C/C(=C/Br)[C@@H]1CCCC[NH2+]1 ZINC000575545579 387628862 /nfs/dbraw/zinc/62/88/62/387628862.db2.gz MPBHJBWAXICQGP-UAPHAKCISA-N 1 0 204.111 2.427 10 0 BEAERO CC(C)(C)CC[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000123966557 387600847 /nfs/dbraw/zinc/60/08/47/387600847.db2.gz MAXFGCWUDFMXSO-OCCSQVGLSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)(C)CC[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000123966106 387601492 /nfs/dbraw/zinc/60/14/92/387601492.db2.gz MAXFGCWUDFMXSO-TZMCWYRMSA-N 1 0 241.375 2.350 10 0 BEAERO Cc1nnc(C[NH+]2[C@H](C)CC[C@H]2C)n1C1CC1 ZINC000122925221 387616821 /nfs/dbraw/zinc/61/68/21/387616821.db2.gz MGNSBSJGEAJYQM-NXEZZACHSA-N 1 0 234.347 2.294 10 0 BEAERO c1ccc([C@@H]2C[C@H]3[NH2+]CCC[C@@H]3O2)cc1 ZINC000319639075 387546937 /nfs/dbraw/zinc/54/69/37/387546937.db2.gz BYHKVRAIUQZFCW-AGIUHOORSA-N 1 0 203.285 2.269 10 0 BEAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000035206464 387562405 /nfs/dbraw/zinc/56/24/05/387562405.db2.gz IOEJHQFTEMCYEB-GRYCIOLGSA-N 1 0 249.358 2.035 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1CC ZINC000399703827 387565424 /nfs/dbraw/zinc/56/54/24/387565424.db2.gz WUOFXZMNBFTLGT-HZSPNIEDSA-N 1 0 243.391 2.284 10 0 BEAERO C[C@@]([NH3+])(c1ccsc1)c1ccns1 ZINC000575548505 387645958 /nfs/dbraw/zinc/64/59/58/387645958.db2.gz DYMIDKYASAWHBD-SECBINFHSA-N 1 0 210.327 2.427 10 0 BEAERO C[C@]([NH3+])(c1ccsc1)c1ccsn1 ZINC000575550719 387654532 /nfs/dbraw/zinc/65/45/32/387654532.db2.gz VUDCECNDPUNHSI-VIFPVBQESA-N 1 0 210.327 2.427 10 0 BEAERO CC[C@@H](C)C[C@H](CC)[NH2+]CCCn1ccnn1 ZINC000126412245 387682326 /nfs/dbraw/zinc/68/23/26/387682326.db2.gz XGZGQZWSMJIRKP-OLZOCXBDSA-N 1 0 238.379 2.473 10 0 BEAERO Cc1ccc(C[NH2+]CCCn2ccnn2)c(C)c1 ZINC000126470246 387683049 /nfs/dbraw/zinc/68/30/49/387683049.db2.gz RCBDDMDHZBXYFN-UHFFFAOYSA-N 1 0 244.342 2.075 10 0 BEAERO C[C@H]([NH2+]CCCn1ccnn1)C1CCCCC1 ZINC000126566924 387690319 /nfs/dbraw/zinc/69/03/19/387690319.db2.gz AUZQKDPZXGIENA-LBPRGKRZSA-N 1 0 236.363 2.227 10 0 BEAERO Cc1noc(C[NH2+]C2C3CC4CC(C3)CC2C4)n1 ZINC000038034150 387745559 /nfs/dbraw/zinc/74/55/59/387745559.db2.gz WPUHRBUMZICDND-UHFFFAOYSA-N 1 0 247.342 2.292 10 0 BEAERO Cc1cc([C@@]2([NH3+])CS[C@@H](C)C2)sn1 ZINC000575572819 387750456 /nfs/dbraw/zinc/75/04/56/387750456.db2.gz QOMMISYIFJATOD-CBAPKCEASA-N 1 0 214.359 2.131 10 0 BEAERO Cc1nc([C@]2([NH3+])CS[C@H](C)C2)cs1 ZINC000575572897 387751679 /nfs/dbraw/zinc/75/16/79/387751679.db2.gz RWVLVOUBVLXVBZ-HZGVNTEJSA-N 1 0 214.359 2.131 10 0 BEAERO CC[C@]1([NH3+])CCN(Cc2ccccc2)[C@H]1C ZINC000575562204 387700868 /nfs/dbraw/zinc/70/08/68/387700868.db2.gz ZHXPTTZXIIJRLF-JSGCOSHPSA-N 1 0 218.344 2.388 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])Cc1ccncc1Br ZINC000575562776 387703691 /nfs/dbraw/zinc/70/36/91/387703691.db2.gz DDPXKJMYLYYCPU-OIBJUYFYSA-N 1 0 241.132 2.124 10 0 BEAERO CC(=O)c1cc2c(cc1C)CC[C@H]([NH3+])C2 ZINC000013913379 387713179 /nfs/dbraw/zinc/71/31/79/387713179.db2.gz ISWMKVVVEVKRMT-LBPRGKRZSA-N 1 0 203.285 2.014 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CO)CCCO2 ZINC000127579600 387718113 /nfs/dbraw/zinc/71/81/13/387718113.db2.gz KNOWMQAQNCQSNC-WCQYABFASA-N 1 0 235.327 2.179 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1(C)CC1 ZINC000377569532 387730131 /nfs/dbraw/zinc/73/01/31/387730131.db2.gz BHUXVFJUCZSWOL-GRYCIOLGSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ncsc1[C@@]1([NH3+])CS[C@H](C)C1 ZINC000575569101 387731058 /nfs/dbraw/zinc/73/10/58/387731058.db2.gz BVZFLUVBSDGLIF-MUWHJKNJSA-N 1 0 214.359 2.131 10 0 BEAERO Cc1ncsc1[C@]1([NH3+])CCS[C@@H]1C ZINC000575565583 387732931 /nfs/dbraw/zinc/73/29/31/387732931.db2.gz ALCZUXLIMQFQGN-APPZFPTMSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@@H]1C[C@@]([NH3+])(c2ccc(Cl)s2)CO1 ZINC000575567769 387736246 /nfs/dbraw/zinc/73/62/46/387736246.db2.gz ZTJMUGRRCYPNTP-MUWHJKNJSA-N 1 0 217.721 2.364 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CO)CCCO2 ZINC000129341559 387766898 /nfs/dbraw/zinc/76/68/98/387766898.db2.gz KNOWMQAQNCQSNC-DGCLKSJQSA-N 1 0 235.327 2.179 10 0 BEAERO C[C@@H](CC[NH2+][C@@H]1CCCNC1=O)c1ccccc1 ZINC000050395559 387793746 /nfs/dbraw/zinc/79/37/46/387793746.db2.gz SHCLVFNRVFDPDF-GXTWGEPZSA-N 1 0 246.354 2.048 10 0 BEAERO CC(C)(C)OC(=O)[C@](C)(C[NH3+])c1ccccc1 ZINC000390821986 387840097 /nfs/dbraw/zinc/84/00/97/387840097.db2.gz WIOFDFKVQCVYNS-CQSZACIVSA-N 1 0 235.327 2.245 10 0 BEAERO Cc1cc(C)c([C@H](O)[C@@H]2CCC[NH2+]2)cc1C ZINC000071521932 177875743 /nfs/dbraw/zinc/87/57/43/177875743.db2.gz KPGJNJAOCHBHII-KBPBESRZSA-N 1 0 219.328 2.397 10 0 BEAERO COc1cccc2c1CC[N@H+](CCC(C)=O)CC2 ZINC000193714077 387862970 /nfs/dbraw/zinc/86/29/70/387862970.db2.gz OCVRHVUTBFQDQO-UHFFFAOYSA-N 1 0 247.338 2.075 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CCSCC1 ZINC000393195976 387864384 /nfs/dbraw/zinc/86/43/84/387864384.db2.gz TYTMCNPOVHLZLG-CKYFFXLPSA-N 1 0 229.389 2.285 10 0 BEAERO Cc1cc(C)c([C@@H](C)[NH2+]CCC(N)=O)c(C)c1 ZINC000036746962 177870839 /nfs/dbraw/zinc/87/08/39/177870839.db2.gz FSTQWEYXWHSYLT-GFCCVEGCSA-N 1 0 234.343 2.138 10 0 BEAERO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000134982341 387814852 /nfs/dbraw/zinc/81/48/52/387814852.db2.gz ALWVDZCXJHDFKK-VXGBXAGGSA-N 1 0 237.343 2.192 10 0 BEAERO O=C1CC[C@@H]2C[N@@H+](C3CCC3)CC[C@H]2N1C1CC1 ZINC000194728914 387893096 /nfs/dbraw/zinc/89/30/96/387893096.db2.gz PVCLSRBSFJYCOJ-BXUZGUMPSA-N 1 0 248.370 2.014 10 0 BEAERO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)[C@@H]1C[C@H]1C ZINC000321889796 387918263 /nfs/dbraw/zinc/91/82/63/387918263.db2.gz LDQDEFSSZVIOMI-HONMWMINSA-N 1 0 238.375 2.022 10 0 BEAERO CCC[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000019392397 387904874 /nfs/dbraw/zinc/90/48/74/387904874.db2.gz YNVKOXHIPWBJKI-JTQLQIEISA-N 1 0 220.316 2.064 10 0 BEAERO Cc1cc(C)c(C)c(CC2=[NH+]CCN2)c1C ZINC000033866818 177851881 /nfs/dbraw/zinc/85/18/81/177851881.db2.gz RRCGXPYFQWDTRF-UHFFFAOYSA-N 1 0 216.328 2.464 10 0 BEAERO CCCO[C@@H]1CC[C@H](C(F)(F)F)C[C@H]1[NH3+] ZINC000238850994 134850119 /nfs/dbraw/zinc/85/01/19/134850119.db2.gz DPMIUWYTUBBRNQ-DJLDLDEBSA-N 1 0 225.254 2.471 10 0 BEAERO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)o1 ZINC000396663477 387940378 /nfs/dbraw/zinc/94/03/78/387940378.db2.gz OMNGLZGGGDOHNP-GRYCIOLGSA-N 1 0 222.332 2.379 10 0 BEAERO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)o1 ZINC000396663486 387940401 /nfs/dbraw/zinc/94/04/01/387940401.db2.gz OMNGLZGGGDOHNP-WOPDTQHZSA-N 1 0 222.332 2.379 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)C(C)C ZINC000245426694 387945973 /nfs/dbraw/zinc/94/59/73/387945973.db2.gz GKUMBEOFYGOSSD-CHWSQXEVSA-N 1 0 240.391 2.221 10 0 BEAERO CCc1nnc(C[NH2+]CC2CCC(C)CC2)[nH]1 ZINC000392357675 387958264 /nfs/dbraw/zinc/95/82/64/387958264.db2.gz OGKBJUPCMOGNCJ-UHFFFAOYSA-N 1 0 236.363 2.283 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@H]1C[C@@H]1C ZINC000322031755 387960600 /nfs/dbraw/zinc/96/06/00/387960600.db2.gz MHDBUUOGWXHDTM-FPYNETTCSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)(C)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245688735 387973250 /nfs/dbraw/zinc/97/32/50/387973250.db2.gz ANYGYUCWVHVEFC-MNOVXSKESA-N 1 0 229.389 2.239 10 0 BEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(C)(C)C)[C@@H]2C1 ZINC000245719350 387977082 /nfs/dbraw/zinc/97/70/82/387977082.db2.gz DEMOPUKHCDYRKD-JHJVBQTASA-N 1 0 241.375 2.301 10 0 BEAERO CC(C)OCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245842766 387986728 /nfs/dbraw/zinc/98/67/28/387986728.db2.gz HNDZHHUSYGBIDS-ZIAGYGMSSA-N 1 0 241.375 2.445 10 0 BEAERO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c[nH]1 ZINC000246072318 388006575 /nfs/dbraw/zinc/00/65/75/388006575.db2.gz BROIZBWPNGIWSJ-MGPQQGTHSA-N 1 0 246.354 2.452 10 0 BEAERO CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1CC ZINC000246154268 388015492 /nfs/dbraw/zinc/01/54/92/388015492.db2.gz CNXYEIMDAGECST-QWHCGFSZSA-N 1 0 212.381 2.449 10 0 BEAERO CCc1ccc([C@H]2C[NH2+][C@@H](C)CO2)s1 ZINC000041062366 388017968 /nfs/dbraw/zinc/01/79/68/388017968.db2.gz DJPFIRLDTDXPQH-WCBMZHEXSA-N 1 0 211.330 2.360 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)C ZINC000083703849 388058751 /nfs/dbraw/zinc/05/87/51/388058751.db2.gz ZIGMPHJZDMKLLL-VXGBXAGGSA-N 1 0 238.375 2.118 10 0 BEAERO Cc1cc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)no1 ZINC000083704390 388059439 /nfs/dbraw/zinc/05/94/39/388059439.db2.gz VGBBSHPNAMSFSW-FZMZJTMJSA-N 1 0 249.358 2.042 10 0 BEAERO CSC1(C[NH2+]C[C@H]2CCC[C@H]2O)CCC1 ZINC000336657768 388072923 /nfs/dbraw/zinc/07/29/23/388072923.db2.gz ATAGVKQBRGGWQU-GHMZBOCLSA-N 1 0 229.389 2.023 10 0 BEAERO Cc1ccc([C@H](O)[C@H]([NH3+])C(C)C)c(C)c1 ZINC000071510666 388096225 /nfs/dbraw/zinc/09/62/25/388096225.db2.gz JWKRVXQHNUPVLP-OLZOCXBDSA-N 1 0 207.317 2.320 10 0 BEAERO C[C@H](C[NH3+])Sc1ccc(Cl)cn1 ZINC000070615326 388096378 /nfs/dbraw/zinc/09/63/78/388096378.db2.gz KHOKWHMOBHIAQI-ZCFIWIBFSA-N 1 0 202.710 2.174 10 0 BEAERO CC[N@H+](Cc1nnc(C2CC2)n1C)C1CCCC1 ZINC000195082549 388096730 /nfs/dbraw/zinc/09/67/30/388096730.db2.gz LLWTZRJRPLBVAG-UHFFFAOYSA-N 1 0 248.374 2.457 10 0 BEAERO [NH3+]C[C@H](CO)c1ccc(Cl)cc1Cl ZINC000071522148 388097001 /nfs/dbraw/zinc/09/70/01/388097001.db2.gz JZCVQGDVGULYCO-ZCFIWIBFSA-N 1 0 220.099 2.028 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000195183496 388115645 /nfs/dbraw/zinc/11/56/45/388115645.db2.gz WMZAOPVXDZOXTF-XQQFMLRXSA-N 1 0 229.364 2.037 10 0 BEAERO CCC[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000646220550 388167776 /nfs/dbraw/zinc/16/77/76/388167776.db2.gz HKNDWUKWVCFLSF-QWHCGFSZSA-N 1 0 240.391 2.399 10 0 BEAERO CCCC[C@H](COC)[NH2+]C[C@H](O)C(C)(C)C ZINC000164074105 388147488 /nfs/dbraw/zinc/14/74/88/388147488.db2.gz LJOCLOMHPVBIKF-NEPJUHHUSA-N 1 0 231.380 2.188 10 0 BEAERO CCC[C@@H]1[NH2+]CC[C@H](C)[S@](=O)[C@@H]1CC ZINC000251201690 388254910 /nfs/dbraw/zinc/25/49/10/388254910.db2.gz VLLGXMHTKGLYGG-DYNIEEOBSA-N 1 0 217.378 2.064 10 0 BEAERO [NH3+]C1CCC(OC(=O)N2CCCCCC2)CC1 ZINC000092743679 256585876 /nfs/dbraw/zinc/58/58/76/256585876.db2.gz RPPSBSJRBDRHBN-UHFFFAOYSA-N 1 0 240.347 2.269 10 0 BEAERO [NH3+]C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000008029032 388347436 /nfs/dbraw/zinc/34/74/36/388347436.db2.gz PNNUQEOGNSHGMN-CYBMUJFWSA-N 1 0 243.306 2.052 10 0 BEAERO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cnn(C)c1 ZINC000277024455 388352247 /nfs/dbraw/zinc/35/22/47/388352247.db2.gz DPLOOYIEDOOJRC-SNVBAGLBSA-N 1 0 229.274 2.259 10 0 BEAERO [NH3+][C@H]1CCC[C@@](F)(c2cncs2)C1 ZINC000575517379 388354350 /nfs/dbraw/zinc/35/43/50/388354350.db2.gz FAUUVHSHAFAJHW-CBAPKCEASA-N 1 0 200.282 2.209 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000327506735 388376119 /nfs/dbraw/zinc/37/61/19/388376119.db2.gz QADGLNCRFBJLGP-CHWSQXEVSA-N 1 0 242.432 2.346 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000293348989 388387980 /nfs/dbraw/zinc/38/79/80/388387980.db2.gz GVPBUZVBFGGCSP-JLLWLGSASA-N 1 0 221.300 2.424 10 0 BEAERO C[C@]1(C[NH2+]C[C@@H]2CCCC[C@@H]2O)CCCS1 ZINC000327918642 388396043 /nfs/dbraw/zinc/39/60/43/388396043.db2.gz SDOUQQCEBZNXEO-RWMBFGLXSA-N 1 0 243.416 2.413 10 0 BEAERO CC(C)C[C@@H](C)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000300974606 388396664 /nfs/dbraw/zinc/39/66/64/388396664.db2.gz SPVGDRSABDWKHF-SNVBAGLBSA-N 1 0 224.352 2.154 10 0 BEAERO Cc1cnc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)o1 ZINC000229726638 388396867 /nfs/dbraw/zinc/39/68/67/388396867.db2.gz UJBZIRGSKUVYBT-AAEUAGOBSA-N 1 0 249.358 2.042 10 0 BEAERO CC[C@H]([NH3+])c1nc2c(s1)CSCC2 ZINC000042335324 388443713 /nfs/dbraw/zinc/44/37/13/388443713.db2.gz LYKAJPNEMRLSDG-LURJTMIESA-N 1 0 214.359 2.342 10 0 BEAERO Clc1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000071518392 388444418 /nfs/dbraw/zinc/44/44/18/388444418.db2.gz GDHMPVYHZCYRRK-SECBINFHSA-N 1 0 211.692 2.043 10 0 BEAERO Cc1ccc(N[C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000335043106 388448588 /nfs/dbraw/zinc/44/85/88/388448588.db2.gz NEOYCZOFRSECLX-VXGBXAGGSA-N 1 0 204.317 2.405 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000336721904 388469208 /nfs/dbraw/zinc/46/92/08/388469208.db2.gz DPYAAGAVNHFDAJ-STQMWFEESA-N 1 0 221.348 2.442 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1ncn(C)n1)[C@@H]1CC1(C)C ZINC000397584886 388481567 /nfs/dbraw/zinc/48/15/67/388481567.db2.gz GZUZMAMSWRVYAJ-DCAQKATOSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](O)C1)C(C)(C)C ZINC000648862286 388473426 /nfs/dbraw/zinc/47/34/26/388473426.db2.gz KPRSSAJBUUBICV-WOPDTQHZSA-N 1 0 213.365 2.371 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1ncn(C)n1)[C@H]1CC1(C)C ZINC000397584880 388481801 /nfs/dbraw/zinc/48/18/01/388481801.db2.gz GZUZMAMSWRVYAJ-AXFHLTTASA-N 1 0 236.363 2.290 10 0 BEAERO c1cc2cc([C@H]3[NH2+]CCc4nc[nH]c43)ccc2[nH]1 ZINC000067714092 388407460 /nfs/dbraw/zinc/40/74/60/388407460.db2.gz RRTWGHODAFUTHP-CYBMUJFWSA-N 1 0 238.294 2.126 10 0 BEAERO C[C@@H]([N@H+](C)C[C@@H]1Cc2ccccc21)C(C)(C)O ZINC000295115080 388408468 /nfs/dbraw/zinc/40/84/68/388408468.db2.gz IBGPAKNBOZRENV-YPMHNXCESA-N 1 0 233.355 2.418 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000295131220 388408697 /nfs/dbraw/zinc/40/86/97/388408697.db2.gz YKWRNRBOJOEDFO-RNCFNFMXSA-N 1 0 241.281 2.310 10 0 BEAERO CC(C)c1nsc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000165761703 388411339 /nfs/dbraw/zinc/41/13/39/388411339.db2.gz LDACNASLKZJHKR-SFYZADRCSA-N 1 0 228.365 2.199 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCc1ccccc1 ZINC000296419915 388422788 /nfs/dbraw/zinc/42/27/88/388422788.db2.gz VNXNTRGZFFNMGE-HIFRSBDPSA-N 1 0 233.355 2.464 10 0 BEAERO C1CC1N1CCC[C@H]2C[N@@H+](C3CCC3)CC[C@H]21 ZINC000245595637 388424897 /nfs/dbraw/zinc/42/48/97/388424897.db2.gz IJMIXASKKHRQSM-SWLSCSKDSA-N 1 0 234.387 2.488 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)[C@H]1C[C@H]1C ZINC000322366735 388432193 /nfs/dbraw/zinc/43/21/93/388432193.db2.gz YCLWOXKIXPECFW-RXGFPQBGSA-N 1 0 211.349 2.172 10 0 BEAERO COC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000393496171 388432803 /nfs/dbraw/zinc/43/28/03/388432803.db2.gz XLGNHXFVGALJOC-SUZMYJTESA-N 1 0 223.291 2.306 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ccc(OC(F)F)cn1 ZINC000336891049 388434811 /nfs/dbraw/zinc/43/48/11/388434811.db2.gz OQMAZUKXSLRNIN-VIFPVBQESA-N 1 0 245.273 2.078 10 0 BEAERO [NH3+][C@@H]1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000066055196 388547222 /nfs/dbraw/zinc/54/72/22/388547222.db2.gz HVSJXEBSVMLFAW-GFCCVEGCSA-N 1 0 231.274 2.348 10 0 BEAERO Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cn1 ZINC000378721106 388485682 /nfs/dbraw/zinc/48/56/82/388485682.db2.gz GETXQJMNXMBWIT-YNEHKIRRSA-N 1 0 217.316 2.063 10 0 BEAERO CCC(C)(C)NC(=O)C[N@H+](C)CCC1CC1 ZINC000135248409 388486703 /nfs/dbraw/zinc/48/67/03/388486703.db2.gz UGARQKHFJDJGAN-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCN[C@H]1C)[C@@H]1CC1(C)C ZINC000397670609 388488748 /nfs/dbraw/zinc/48/87/48/388488748.db2.gz QDGOGMBTHLEUFQ-BJDJZHNGSA-N 1 0 210.365 2.151 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCN[C@H]1C)[C@H]1CC1(C)C ZINC000397670619 388488802 /nfs/dbraw/zinc/48/88/02/388488802.db2.gz QDGOGMBTHLEUFQ-YFKTTZPYSA-N 1 0 210.365 2.151 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000342603243 388497611 /nfs/dbraw/zinc/49/76/11/388497611.db2.gz XANXICZOOMVMKI-UTUOFQBUSA-N 1 0 240.391 2.458 10 0 BEAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC2CCCCC2)C1 ZINC000343952472 388503710 /nfs/dbraw/zinc/50/37/10/388503710.db2.gz JVWWTUNCENADLK-ZIAGYGMSSA-N 1 0 241.375 2.038 10 0 BEAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC2CCCCC2)C1 ZINC000343952466 388504043 /nfs/dbraw/zinc/50/40/43/388504043.db2.gz JVWWTUNCENADLK-KBPBESRZSA-N 1 0 241.375 2.038 10 0 BEAERO CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)nc1 ZINC000345102977 388510736 /nfs/dbraw/zinc/51/07/36/388510736.db2.gz OUTMESNILOSISL-SMDDNHRTSA-N 1 0 234.343 2.301 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCCN[C@H]1C ZINC000398161375 388518145 /nfs/dbraw/zinc/51/81/45/388518145.db2.gz IGIRFHSTGMGVRR-MDZLAQPJSA-N 1 0 210.365 2.295 10 0 BEAERO c1cc2c(s1)CCN[C@@H]2c1ccccn1 ZINC000066054605 388533679 /nfs/dbraw/zinc/53/36/79/388533679.db2.gz NBFMBZPUSOIWQS-LBPRGKRZSA-N 1 0 216.309 2.378 10 0 BEAERO C[NH2+][C@@H](C)Cc1cc(OC)c(C)cc1OC ZINC000003614060 388588385 /nfs/dbraw/zinc/58/83/85/388588385.db2.gz IWYGVDBZCSCJGT-JTQLQIEISA-N 1 0 223.316 2.163 10 0 BEAERO CCC[C@@]1(c2cccc(O)c2)CC[NH2+]C1 ZINC000003627782 388588437 /nfs/dbraw/zinc/58/84/37/388588437.db2.gz ODZIWWCDWKQCTQ-CYBMUJFWSA-N 1 0 205.301 2.423 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCSCC1 ZINC000328273925 388589017 /nfs/dbraw/zinc/58/90/17/388589017.db2.gz QFCDTYIBFKTRPY-CHWSQXEVSA-N 1 0 243.416 2.270 10 0 BEAERO N[C@@]1(c2ccccc2)CCC[N@@H+]2CCC[C@H]21 ZINC000114726829 388589692 /nfs/dbraw/zinc/58/96/92/388589692.db2.gz ROECKPIOTAYTTF-UONOGXRCSA-N 1 0 216.328 2.099 10 0 BEAERO COC(=O)c1ccc([C@H]2CCCC[NH2+]2)cc1OC ZINC000090513452 388591297 /nfs/dbraw/zinc/59/12/97/388591297.db2.gz LJPWDNYCAPRYJX-GFCCVEGCSA-N 1 0 249.310 2.296 10 0 BEAERO CSCc1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054496964 388593934 /nfs/dbraw/zinc/59/39/34/388593934.db2.gz JSUHDCGKDLCECV-ZCFIWIBFSA-N 1 0 214.359 2.342 10 0 BEAERO COc1cccc([C@@H]2C[NH2+]CC2(C)C)c1 ZINC000220133689 388601739 /nfs/dbraw/zinc/60/17/39/388601739.db2.gz NTWKZJDHRMTFSD-LBPRGKRZSA-N 1 0 205.301 2.408 10 0 BEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]1C ZINC000245894478 388609755 /nfs/dbraw/zinc/60/97/55/388609755.db2.gz CSIUTLIPMAZJBQ-OPRDCNLKSA-N 1 0 213.321 2.105 10 0 BEAERO [NH3+]CC[C@H]1CCc2cc3c(cc21)OCC3 ZINC000036448662 388611216 /nfs/dbraw/zinc/61/12/16/388611216.db2.gz CFTVJNKYTVMVCV-SECBINFHSA-N 1 0 203.285 2.000 10 0 BEAERO COC[C@@H](C)N[C@H]1COc2cccc(Cl)c21 ZINC000367408396 388565195 /nfs/dbraw/zinc/56/51/95/388565195.db2.gz SPLHMIQQQIPLIH-SCZZXKLOSA-N 1 0 241.718 2.398 10 0 BEAERO CC(C)C[C@H](C)C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000368583865 388569051 /nfs/dbraw/zinc/56/90/51/388569051.db2.gz LGYKBZYDHABGPC-ZDEQEGDKSA-N 1 0 211.349 2.151 10 0 BEAERO Cc1cc(C)cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000368618223 388569300 /nfs/dbraw/zinc/56/93/00/388569300.db2.gz ZRJMBJVCDDMPAT-QKDCVEJESA-N 1 0 231.339 2.285 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1cccc(F)c1 ZINC000054929452 388583214 /nfs/dbraw/zinc/58/32/14/388583214.db2.gz OVEBQMUXDGQYTR-VXGBXAGGSA-N 1 0 211.280 2.233 10 0 BEAERO C[C@H]([NH2+]CCCn1ccnn1)c1ccccc1F ZINC000125624857 388673220 /nfs/dbraw/zinc/67/32/20/388673220.db2.gz QFCBGUNAKYNFRN-NSHDSACASA-N 1 0 248.305 2.158 10 0 BEAERO COc1cc(O)ccc1[C@@H]([NH3+])CC(F)F ZINC000575438384 388623812 /nfs/dbraw/zinc/62/38/12/388623812.db2.gz JTGZTXQKOQWDII-QMMMGPOBSA-N 1 0 217.215 2.056 10 0 BEAERO [NH3+]Cc1c(F)ccc(F)c1Br ZINC000238606887 388624442 /nfs/dbraw/zinc/62/44/42/388624442.db2.gz CDBKFFLLILQXDI-UHFFFAOYSA-N 1 0 222.032 2.186 10 0 BEAERO CCc1cccc(C[NH2+][C@@H](C(=O)NC)C(C)C)c1 ZINC000189847746 388643966 /nfs/dbraw/zinc/64/39/66/388643966.db2.gz OUTDNQQADZCKBA-CQSZACIVSA-N 1 0 248.370 2.109 10 0 BEAERO CC(C)(O)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190957034 388659354 /nfs/dbraw/zinc/65/93/54/388659354.db2.gz XTJNYLYVHUAGLN-UHFFFAOYSA-N 1 0 241.375 2.181 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)OCC1CC1 ZINC000192912659 388689174 /nfs/dbraw/zinc/68/91/74/388689174.db2.gz SHLSPEPMFAVAHY-GFCCVEGCSA-N 1 0 242.363 2.099 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000248659960 388689982 /nfs/dbraw/zinc/68/99/82/388689982.db2.gz VRTDCOVKBRHVGQ-NWDGAFQWSA-N 1 0 236.363 2.276 10 0 BEAERO CC[N@H+](C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000126250013 388692667 /nfs/dbraw/zinc/69/26/67/388692667.db2.gz REQCSMXLMKEMRE-SNVBAGLBSA-N 1 0 235.327 2.470 10 0 BEAERO CCCC1(C[NH2+]Cc2cnn(C)c2C)CC1 ZINC000126291924 388693768 /nfs/dbraw/zinc/69/37/68/388693768.db2.gz FDJTYHPCXWNIOV-UHFFFAOYSA-N 1 0 221.348 2.398 10 0 BEAERO CCCC[C@@H](CCC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000226070817 388699590 /nfs/dbraw/zinc/69/95/90/388699590.db2.gz FEKQBIKNYOAQAS-JHJVBQTASA-N 1 0 240.391 2.317 10 0 BEAERO CCCC[C@@H](CCC)NC(=O)[C@@H](C)[NH2+]C ZINC000226064642 388699714 /nfs/dbraw/zinc/69/97/14/388699714.db2.gz RUNHOQANRUKKHA-GHMZBOCLSA-N 1 0 214.353 2.069 10 0 BEAERO CC[C@@H](CSC)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226238118 388712349 /nfs/dbraw/zinc/71/23/49/388712349.db2.gz GZSZBYZIRNBULT-HBNTYKKESA-N 1 0 217.378 2.021 10 0 BEAERO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1cnn(C)c1 ZINC000127205320 388717832 /nfs/dbraw/zinc/71/78/32/388717832.db2.gz FLHXCKFXIDCLCN-CQSZACIVSA-N 1 0 244.342 2.364 10 0 BEAERO CC[N@@H+]1CC[C@H](NCc2cccc(C)n2)[C@H](C)C1 ZINC000127236239 388718632 /nfs/dbraw/zinc/71/86/32/388718632.db2.gz PNBXBKBHDRNGRS-DOMZBBRYSA-N 1 0 247.386 2.210 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])Cc1ncccc1Br ZINC000575460364 388806988 /nfs/dbraw/zinc/80/69/88/388806988.db2.gz HPXWXKYGBZYEQY-XCBNKYQSSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cc(F)ccc1F ZINC000091415972 388763186 /nfs/dbraw/zinc/76/31/86/388763186.db2.gz JVDVPTINLBDYCA-FKTRJACZSA-N 1 0 241.281 2.386 10 0 BEAERO COc1ccccc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000091424962 388763757 /nfs/dbraw/zinc/76/37/57/388763757.db2.gz LXTKFXBHRTZISR-VOMCLLRMSA-N 1 0 235.327 2.117 10 0 BEAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000091538268 388767204 /nfs/dbraw/zinc/76/72/04/388767204.db2.gz QGDQIBFPCVLETN-ZUYNKMSQSA-N 1 0 235.327 2.264 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cnn(C)c1 ZINC000252732913 388778008 /nfs/dbraw/zinc/77/80/08/388778008.db2.gz XDCOKJUGXUTLML-CKYFFXLPSA-N 1 0 207.321 2.259 10 0 BEAERO CC[N@@H+]1CCC[C@@H](N[C@H](C)c2cscn2)C1 ZINC000252787490 388782719 /nfs/dbraw/zinc/78/27/19/388782719.db2.gz AETUNCZGALNFNL-GHMZBOCLSA-N 1 0 239.388 2.278 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)c2ccccc21 ZINC000288536570 388788538 /nfs/dbraw/zinc/78/85/38/388788538.db2.gz ADNZNMMIMZFAAL-RISCZKNCSA-N 1 0 242.326 2.116 10 0 BEAERO CC(C)CCOCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304258447 388863821 /nfs/dbraw/zinc/86/38/21/388863821.db2.gz SPPGPZVFVFCBOU-GFCCVEGCSA-N 1 0 231.380 2.046 10 0 BEAERO CC(C)CCOCC[NH2+]C[C@H](O)C(C)(C)C ZINC000304258449 388863958 /nfs/dbraw/zinc/86/39/58/388863958.db2.gz SPPGPZVFVFCBOU-LBPRGKRZSA-N 1 0 231.380 2.046 10 0 BEAERO O[C@H](c1sccc1Cl)[C@H]1CC[NH2+]C1 ZINC000575487168 388874406 /nfs/dbraw/zinc/87/44/06/388874406.db2.gz MGMZYNNSAAOTOB-XPUUQOCRSA-N 1 0 217.721 2.044 10 0 BEAERO CC[C@@]1(C)CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000566098395 388987045 /nfs/dbraw/zinc/98/70/45/388987045.db2.gz RHFDWSITGKAQHC-BZPMIXESSA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2cc(Cl)cs2)C1 ZINC000575506460 388992129 /nfs/dbraw/zinc/99/21/29/388992129.db2.gz AHPFERQKRSVZDE-NKWVEPMBSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2sccc2Br)C1 ZINC000575509326 389003657 /nfs/dbraw/zinc/00/36/57/389003657.db2.gz VHGQCJYXIVFBQX-FSPLSTOPSA-N 1 0 248.145 2.299 10 0 BEAERO O[C@H](c1ccsc1Cl)[C@H]1CC[NH2+]C1 ZINC000575513564 389021796 /nfs/dbraw/zinc/02/17/96/389021796.db2.gz GDIYGLUAOTWSLW-XPUUQOCRSA-N 1 0 217.721 2.044 10 0 BEAERO Cc1cc(C)cc(N2CC[NH2+][C@H](C)C2)c1 ZINC000016944768 132323597 /nfs/dbraw/zinc/32/35/97/132323597.db2.gz JXUAAUHXRNBYNU-GFCCVEGCSA-N 1 0 204.317 2.102 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1ccc(Br)c(F)c1 ZINC000161614193 224528129 /nfs/dbraw/zinc/52/81/29/224528129.db2.gz XEDSGSRYSSNECI-HZGVNTEJSA-N 1 0 230.080 2.403 10 0 BEAERO C[C@H](C[NH3+])CN1CCCc2ccccc21 ZINC000036677475 132342304 /nfs/dbraw/zinc/34/23/04/132342304.db2.gz KTJUHTFTCJFVLK-LLVKDONJSA-N 1 0 204.317 2.034 10 0 BEAERO CC1CC[NH+]([C@H](CN)CC(C)(C)C)CC1 ZINC000061839630 168187479 /nfs/dbraw/zinc/18/74/79/168187479.db2.gz ORLBMQGKLSYSRU-LBPRGKRZSA-N 1 0 212.381 2.482 10 0 BEAERO C[C@@H]1CCCN(c2ncc(C[NH3+])cc2Cl)C1 ZINC000051396207 132360020 /nfs/dbraw/zinc/36/00/20/132360020.db2.gz OOZMLGYWNTXGIT-SECBINFHSA-N 1 0 239.750 2.430 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1c1ncccc1Cl ZINC000053706622 132363295 /nfs/dbraw/zinc/36/32/95/132363295.db2.gz ZNGVZPJVVQFXCM-SNVBAGLBSA-N 1 0 239.750 2.313 10 0 BEAERO CSc1cccc(N2CC[NH2+]C[C@@H]2C)c1 ZINC000083086646 132419904 /nfs/dbraw/zinc/41/99/04/132419904.db2.gz WDCMAQREVHNLGY-JTQLQIEISA-N 1 0 222.357 2.207 10 0 BEAERO CC[C@@H]1[NH2+]CCc2c(OC)ccc(OC)c21 ZINC000019626242 171151085 /nfs/dbraw/zinc/15/10/85/171151085.db2.gz CJUCSLSYTLSBKR-JTQLQIEISA-N 1 0 221.300 2.301 10 0 BEAERO C(=C/c1ccccc1)\CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261553072 533354170 /nfs/dbraw/zinc/35/41/70/533354170.db2.gz ACBSYRKGRYGNKV-YOSLTCIPSA-N 1 0 242.366 2.384 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000084446432 322835169 /nfs/dbraw/zinc/83/51/69/322835169.db2.gz FDDRPEMGLXBXNT-POOIEITISA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H](C[NH2+]CC1CC(O)C1)c1ccccc1 ZINC000084446963 322835727 /nfs/dbraw/zinc/83/57/27/322835727.db2.gz DUVXFAWMMDICSM-LKSINWNRSA-N 1 0 219.328 2.151 10 0 BEAERO CC(C)CC[N@H+](C[C@H](O)C(F)(F)F)C1CC1 ZINC000109706766 166835138 /nfs/dbraw/zinc/83/51/38/166835138.db2.gz YDRLBKADGJWCOS-JTQLQIEISA-N 1 0 239.281 2.420 10 0 BEAERO Cc1cc(N2CC[NH2+]CC2)nc2ccc(F)cc12 ZINC000040175217 132295952 /nfs/dbraw/zinc/29/59/52/132295952.db2.gz SXMHMRBDAMOJOV-UHFFFAOYSA-N 1 0 245.301 2.092 10 0 BEAERO CC[N@H+](C)[C@@H]1CCN2COCc3cccc1c32 ZINC000005311361 132317411 /nfs/dbraw/zinc/31/74/11/132317411.db2.gz USMVFJXNGMKPFZ-CYBMUJFWSA-N 1 0 232.327 2.377 10 0 BEAERO CCc1ccccc1N1CC[NH2+][C@H](C)C1 ZINC000016944703 132323436 /nfs/dbraw/zinc/32/34/36/132323436.db2.gz MKKFSOBJPUSXMR-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO CCc1ccccc1N1CC[NH2+]C[C@@H]1C ZINC000016944929 132323590 /nfs/dbraw/zinc/32/35/90/132323590.db2.gz VKJBYRAUWANVHW-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO C[C@@H]1CCc2ccccc2N1CCC(N)=[NH2+] ZINC000019470628 132325081 /nfs/dbraw/zinc/32/50/81/132325081.db2.gz NQEDWYLQVDUMNH-SNVBAGLBSA-N 1 0 217.316 2.154 10 0 BEAERO [NH3+]C1CCN(c2cccc3c2CCCC3)CC1 ZINC000019483685 132325472 /nfs/dbraw/zinc/32/54/72/132325472.db2.gz SSMGXANGYOEYJF-UHFFFAOYSA-N 1 0 230.355 2.493 10 0 BEAERO Cc1ccc(N2CCC([NH3+])CC2)c(C)c1 ZINC000019519231 132325912 /nfs/dbraw/zinc/32/59/12/132325912.db2.gz CLXCBZDTKZMHSU-UHFFFAOYSA-N 1 0 204.317 2.231 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000019872087 132328571 /nfs/dbraw/zinc/32/85/71/132328571.db2.gz ITHSDFMIMRDPLW-IJLUTSLNSA-N 1 0 234.343 2.320 10 0 BEAERO CCCC[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265093 132330500 /nfs/dbraw/zinc/33/05/00/132330500.db2.gz GLFDTFRAQNPQHE-UHFFFAOYSA-N 1 0 233.359 2.191 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000034618124 132336882 /nfs/dbraw/zinc/33/68/82/132336882.db2.gz NMAJBBPAZUZNGD-JTQLQIEISA-N 1 0 224.735 2.447 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1cccc(F)c1F ZINC000035785003 132339789 /nfs/dbraw/zinc/33/97/89/132339789.db2.gz VMOCESUGFYLALB-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1ccc(F)cc1Cl ZINC000035976231 132340100 /nfs/dbraw/zinc/34/01/00/132340100.db2.gz YXSBPRDHVUGCQV-MRVPVSSYSA-N 1 0 228.698 2.277 10 0 BEAERO CC(C)[NH+]1CCN(c2ccccc2[C@H](C)O)CC1 ZINC000036190424 132340764 /nfs/dbraw/zinc/34/07/64/132340764.db2.gz ZIASMMZQSUHOPF-ZDUSSCGKSA-N 1 0 248.370 2.270 10 0 BEAERO Cc1cc[nH+]c(N2CCC[C@H](C)C2)c1N ZINC000036245158 132341230 /nfs/dbraw/zinc/34/12/30/132341230.db2.gz WYWFLVFSQCOQBV-VIFPVBQESA-N 1 0 205.305 2.209 10 0 BEAERO Cc1[nH+]c(N2C[C@H](C)C[C@@H](C)C2)ccc1N ZINC000036250937 132341626 /nfs/dbraw/zinc/34/16/26/132341626.db2.gz KKUKOVFGWFRHJK-NXEZZACHSA-N 1 0 219.332 2.455 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCO[C@@H](CC)C1 ZINC000036770462 132342753 /nfs/dbraw/zinc/34/27/53/132342753.db2.gz HSDWENALCCEBKM-AWEZNQCLSA-N 1 0 248.370 2.411 10 0 BEAERO [NH3+]Cc1cc(F)ccc1N1CCCCC1 ZINC000037236375 132343882 /nfs/dbraw/zinc/34/38/82/132343882.db2.gz SONOXTMQSRSULU-UHFFFAOYSA-N 1 0 208.280 2.275 10 0 BEAERO C[NH2+]C1CCN(c2ccc(C)cc2C)CC1 ZINC000037241776 132343921 /nfs/dbraw/zinc/34/39/21/132343921.db2.gz IKTANJGAMGFCTP-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO COC1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000037266447 132344119 /nfs/dbraw/zinc/34/41/19/132344119.db2.gz QYZHSIOWLMNFMV-NSHDSACASA-N 1 0 234.343 2.322 10 0 BEAERO C[C@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)C1CC1 ZINC000037259668 132344308 /nfs/dbraw/zinc/34/43/08/132344308.db2.gz XIJKYBJRCUTBMO-GXFFZTMASA-N 1 0 244.338 2.482 10 0 BEAERO Nc1cccc2c1CCN(c1cc[nH+]cc1)C2 ZINC000038032958 132345780 /nfs/dbraw/zinc/34/57/80/132345780.db2.gz RIEGRPHPZAICJM-UHFFFAOYSA-N 1 0 225.295 2.227 10 0 BEAERO CC1(C)CN(c2ccccc2F)CC[NH2+]1 ZINC000041217541 132349598 /nfs/dbraw/zinc/34/95/98/132349598.db2.gz MZZWFBYUXHMKSJ-UHFFFAOYSA-N 1 0 208.280 2.014 10 0 BEAERO C[C@H]([NH3+])c1ccccc1N1CCCC[C@@H]1CO ZINC000042432307 132352313 /nfs/dbraw/zinc/35/23/13/132352313.db2.gz KMMJDDGRORHESU-NWDGAFQWSA-N 1 0 234.343 2.058 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCC[C@H](C)C2)n1 ZINC000043395461 132352880 /nfs/dbraw/zinc/35/28/80/132352880.db2.gz GOJBTTSLCQDTOU-JTQLQIEISA-N 1 0 219.332 2.085 10 0 BEAERO Cc1ccc2c(c1)CCCN2[C@H](C)C[NH3+] ZINC000043513368 132353404 /nfs/dbraw/zinc/35/34/04/132353404.db2.gz QPVKIIWXKAQTBS-LLVKDONJSA-N 1 0 204.317 2.095 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1cccc(F)c1 ZINC000049693959 132356672 /nfs/dbraw/zinc/35/66/72/132356672.db2.gz OWOBPEFECWVNLW-ONGXEEELSA-N 1 0 208.280 2.142 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2OC)[C@H](C)C1 ZINC000049694243 132356703 /nfs/dbraw/zinc/35/67/03/132356703.db2.gz DEEBICOFUZVNQR-NEPJUHHUSA-N 1 0 234.343 2.272 10 0 BEAERO COc1ccccc1N1CC[C@H]([NH3+])C[C@H]1C ZINC000049694239 132356721 /nfs/dbraw/zinc/35/67/21/132356721.db2.gz RTAIYGMYCYCBOR-MNOVXSKESA-N 1 0 220.316 2.011 10 0 BEAERO C[NH2+][C@H]1CCN(c2cc(F)cc(F)c2)C[C@H]1C ZINC000049709534 132357397 /nfs/dbraw/zinc/35/73/97/132357397.db2.gz SCXWSBHRAHCGKN-RNCFNFMXSA-N 1 0 240.297 2.399 10 0 BEAERO Cc1ccc(F)c(N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000049710062 132357487 /nfs/dbraw/zinc/35/74/87/132357487.db2.gz PEFAJZOOPHEOFN-ZYHUDNBSSA-N 1 0 222.307 2.308 10 0 BEAERO C[C@H]1CN(c2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000049713144 132357897 /nfs/dbraw/zinc/35/78/97/132357897.db2.gz BKFYZQYEZYGJMS-WPRPVWTQSA-N 1 0 226.270 2.138 10 0 BEAERO COc1cc(F)ccc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049714390 132358134 /nfs/dbraw/zinc/35/81/34/132358134.db2.gz WLNBSUJHRLLZIZ-ONGXEEELSA-N 1 0 238.306 2.150 10 0 BEAERO CC[C@@H](C)C[NH+]1CCN(c2ccccc2N)CC1 ZINC000050425194 132358985 /nfs/dbraw/zinc/35/89/85/132358985.db2.gz DSMMFWCWYCOFKX-CYBMUJFWSA-N 1 0 247.386 2.437 10 0 BEAERO C[C@@H]1CCCN(c2ccc(C[NH3+])cn2)[C@@H]1C ZINC000050562852 132359143 /nfs/dbraw/zinc/35/91/43/132359143.db2.gz LQXGSBUJVDMVCM-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO C[NH2+]Cc1ccc(N2CCCC[C@@H]2C)nc1 ZINC000051399441 132360717 /nfs/dbraw/zinc/36/07/17/132360717.db2.gz SMSDJFJPJNNOFX-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO C[NH2+]Cc1cccc(N2CCCC[C@@H]2C)n1 ZINC000051399339 132360732 /nfs/dbraw/zinc/36/07/32/132360732.db2.gz PGKBENVYTRXUTG-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO [NH3+]Cc1cc(Cl)ccc1N1CCSCC1 ZINC000052856741 132362721 /nfs/dbraw/zinc/36/27/21/132362721.db2.gz SOAZDRDOJBSQLE-UHFFFAOYSA-N 1 0 242.775 2.352 10 0 BEAERO CCc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC000053296542 132362998 /nfs/dbraw/zinc/36/29/98/132362998.db2.gz JRQGJXRFOPMVDX-LBPRGKRZSA-N 1 0 204.317 2.177 10 0 BEAERO CC[NH2+]C[C@H]1CCCCN1c1ccccn1 ZINC000053698193 132363112 /nfs/dbraw/zinc/36/31/12/132363112.db2.gz AWYWRSCDRLGUMH-GFCCVEGCSA-N 1 0 219.332 2.050 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCN(c2cc(C)ncn2)C1 ZINC000053701592 132363135 /nfs/dbraw/zinc/36/31/35/132363135.db2.gz MRQRMLBECMCEEL-ZDUSSCGKSA-N 1 0 248.374 2.001 10 0 BEAERO CC[NH2+]C[C@H]1CCCCN1c1cc(C)nc(C)n1 ZINC000053698056 132363169 /nfs/dbraw/zinc/36/31/69/132363169.db2.gz KIRRHNJVOLFVRQ-CYBMUJFWSA-N 1 0 248.374 2.062 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCCN1c1ccccn1 ZINC000053699278 132363226 /nfs/dbraw/zinc/36/32/26/132363226.db2.gz DHSITIUPIMJKLI-CYBMUJFWSA-N 1 0 233.359 2.439 10 0 BEAERO CCC(=[NH2+])N1CCN(c2ccccc2OC)CC1 ZINC000062989884 132388390 /nfs/dbraw/zinc/38/83/90/132388390.db2.gz GERLHAXSUOCHBW-UHFFFAOYSA-N 1 0 247.342 2.204 10 0 BEAERO Cc1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc1 ZINC000063201223 132389278 /nfs/dbraw/zinc/38/92/78/132389278.db2.gz WBFJPEWKEZLHHN-CQSZACIVSA-N 1 0 245.370 2.358 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cnccc2C)[C@H](C)C1 ZINC000071414008 132392111 /nfs/dbraw/zinc/39/21/11/132392111.db2.gz CBCUDBSDPIFHMV-OLZOCXBDSA-N 1 0 233.359 2.357 10 0 BEAERO CC[C@@H]1CN(c2cc(F)ccc2F)CC[NH2+]1 ZINC000083059496 132419017 /nfs/dbraw/zinc/41/90/17/132419017.db2.gz JMFKVXPEBFJKTJ-SNVBAGLBSA-N 1 0 226.270 2.153 10 0 BEAERO CC[C@H]1CN(c2ccc(C)c(F)c2)CC[NH2+]1 ZINC000083059744 132419078 /nfs/dbraw/zinc/41/90/78/132419078.db2.gz NTWOAOQCWWWALF-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccccc1 ZINC000083085224 132420269 /nfs/dbraw/zinc/42/02/69/132420269.db2.gz GLIHSUDDTNAUJD-RYUDHWBXSA-N 1 0 204.317 2.263 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cc(F)cc(F)c1 ZINC000083085255 132420332 /nfs/dbraw/zinc/42/03/32/132420332.db2.gz ATJLSQFNUZSIHU-DTWKUNHWSA-N 1 0 226.270 2.151 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@H]2C(C)C)cc1 ZINC000083086539 132420506 /nfs/dbraw/zinc/42/05/06/132420506.db2.gz NTSFEGDOUUERJI-AWEZNQCLSA-N 1 0 218.344 2.429 10 0 BEAERO CC[C@@H]1CN(c2ccc(C)cn2)[C@@H](CC)C[NH2+]1 ZINC000083360322 132422850 /nfs/dbraw/zinc/42/28/50/132422850.db2.gz IFLMDRHMWPVIKZ-OLZOCXBDSA-N 1 0 233.359 2.357 10 0 BEAERO C[C@@H]1CN(c2ccc3ncccc3c2)[C@H](C)C[NH2+]1 ZINC000083369703 132424075 /nfs/dbraw/zinc/42/40/75/132424075.db2.gz HXTVNGDFTGNQPK-VXGBXAGGSA-N 1 0 241.338 2.421 10 0 BEAERO CC[C@@H]1CN(c2ccc(N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000083377666 132424826 /nfs/dbraw/zinc/42/48/26/132424826.db2.gz ASEQSYXENDUMDP-CHWSQXEVSA-N 1 0 247.386 2.329 10 0 BEAERO CC(C)C[C@@H](C[NH3+])N1CCN(C)c2ccccc21 ZINC000104273712 132435477 /nfs/dbraw/zinc/43/54/77/132435477.db2.gz QVIJKZZLVAIRND-ZDUSSCGKSA-N 1 0 247.386 2.316 10 0 BEAERO Cc1cccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000071509134 132439124 /nfs/dbraw/zinc/43/91/24/132439124.db2.gz GKWGSCLSLNLXRJ-RYUDHWBXSA-N 1 0 204.317 2.182 10 0 BEAERO O=C(N[C@H]1CC12CCCC2)C12CCC[NH+]1CCC2 ZINC000336011996 134051918 /nfs/dbraw/zinc/05/19/18/134051918.db2.gz MQIPGCSIIBPVJF-LBPRGKRZSA-N 1 0 248.370 2.064 10 0 BEAERO O[C@@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)C(F)(F)F ZINC000336215225 134136197 /nfs/dbraw/zinc/13/61/97/134136197.db2.gz MUULAJOEQHHKRI-SCZZXKLOSA-N 1 0 237.265 2.174 10 0 BEAERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000219024789 134273678 /nfs/dbraw/zinc/27/36/78/134273678.db2.gz FNEXJZHNAKCNDI-ZFWWWQNUSA-N 1 0 249.354 2.336 10 0 BEAERO CCC[N@H+](CC)CCNC(=O)N[C@H](C)C(C)C ZINC000175163480 134283485 /nfs/dbraw/zinc/28/34/85/134283485.db2.gz CGTUQAXJQCUKLQ-GFCCVEGCSA-N 1 0 243.395 2.062 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)C ZINC000175048848 134284485 /nfs/dbraw/zinc/28/44/85/134284485.db2.gz NCRSKODIOFINOW-CHWSQXEVSA-N 1 0 238.375 2.118 10 0 BEAERO CCC[C@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177035855 134293955 /nfs/dbraw/zinc/29/39/55/134293955.db2.gz KMRGEGQVSRFYHO-QWHCGFSZSA-N 1 0 240.391 2.365 10 0 BEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)C1CC1)CC2 ZINC000177274699 134298977 /nfs/dbraw/zinc/29/89/77/134298977.db2.gz OQITYBUNFOYITP-CMPLNLGQSA-N 1 0 248.374 2.104 10 0 BEAERO C[C@@H]([NH2+][C@H](C)C1CCC1)c1nnc2n1CCCC2 ZINC000178075052 134302894 /nfs/dbraw/zinc/30/28/94/134302894.db2.gz DWZNCKRENSNTLC-GHMZBOCLSA-N 1 0 248.374 2.454 10 0 BEAERO CN1CCC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000221149129 134317212 /nfs/dbraw/zinc/31/72/12/134317212.db2.gz AIFKGYWNPNWFCC-CGAUPDFVSA-N 1 0 248.414 2.495 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000181752387 134337673 /nfs/dbraw/zinc/33/76/73/134337673.db2.gz KREQNKDNCOXAOQ-UPJWGTAASA-N 1 0 248.374 2.151 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000223516842 134340433 /nfs/dbraw/zinc/34/04/33/134340433.db2.gz ONBPKATYEIJRHH-UTUOFQBUSA-N 1 0 229.389 2.023 10 0 BEAERO CO[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000182176807 134342563 /nfs/dbraw/zinc/34/25/63/134342563.db2.gz MRIOYZYMHUVRGC-WDEREUQCSA-N 1 0 209.289 2.451 10 0 BEAERO CC(C)n1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cn1 ZINC000226240994 134362141 /nfs/dbraw/zinc/36/21/41/134362141.db2.gz CSYMIXWSBXVSHQ-DGCLKSJQSA-N 1 0 237.347 2.121 10 0 BEAERO CCC(CC)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226457577 134363021 /nfs/dbraw/zinc/36/30/21/134363021.db2.gz OHRWEBNJBARFPS-GFCCVEGCSA-N 1 0 226.364 2.023 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000227565977 134383305 /nfs/dbraw/zinc/38/33/05/134383305.db2.gz WDJMSPKBOVCHRE-CYBMUJFWSA-N 1 0 249.354 2.208 10 0 BEAERO C[C@@H](O)CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000227572590 134383359 /nfs/dbraw/zinc/38/33/59/134383359.db2.gz QCNPTNIGCZPCDU-MFKMUULPSA-N 1 0 235.327 2.130 10 0 BEAERO OCC[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000227567919 134383407 /nfs/dbraw/zinc/38/34/07/134383407.db2.gz XZHJTSPZVRPRDT-CQSZACIVSA-N 1 0 249.354 2.160 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000227569827 134383518 /nfs/dbraw/zinc/38/35/18/134383518.db2.gz WFDFHJHNHAZEJF-NSHDSACASA-N 1 0 246.310 2.032 10 0 BEAERO COC[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)OC ZINC000227708096 134385119 /nfs/dbraw/zinc/38/51/19/134385119.db2.gz NBMPVEPRHXHJAS-AGIUHOORSA-N 1 0 243.391 2.452 10 0 BEAERO CCOC1CC([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000227834791 134390021 /nfs/dbraw/zinc/39/00/21/134390021.db2.gz FRZMGGLZKXFQBB-UHEGKEBESA-N 1 0 238.306 2.439 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2CCC[C@@H]2C)cnn1C ZINC000230665000 134519527 /nfs/dbraw/zinc/51/95/27/134519527.db2.gz XXUWQQQLBKUQPX-CMPLNLGQSA-N 1 0 221.348 2.254 10 0 BEAERO C[C@@H]([NH3+])CCNc1ncccc1C(F)(F)F ZINC000063171629 134524096 /nfs/dbraw/zinc/52/40/96/134524096.db2.gz HUGMZXAFBLDIDI-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO CCCn1ccc(C[NH2+][C@H](CCO)C(C)C)c1 ZINC000233386269 134562446 /nfs/dbraw/zinc/56/24/46/134562446.db2.gz NQRMVSKLCCHQJO-CQSZACIVSA-N 1 0 238.375 2.395 10 0 BEAERO COCC[C@@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000130447178 134619578 /nfs/dbraw/zinc/61/95/78/134619578.db2.gz KQSKHUQJWQXKAY-GHMZBOCLSA-N 1 0 243.372 2.105 10 0 BEAERO CC(C)CC[N@@H+]1CCCN(C2CC2)CC1 ZINC000195338074 134841910 /nfs/dbraw/zinc/84/19/10/134841910.db2.gz RJHDDYUBZUVMOW-UHFFFAOYSA-N 1 0 210.365 2.203 10 0 BEAERO CC[C@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000070642782 134922212 /nfs/dbraw/zinc/92/22/12/134922212.db2.gz RZVDQUVQZAGPGJ-QCXCNERSSA-N 1 0 211.349 2.458 10 0 BEAERO O=C1CC[C@H]2C[N@@H+](C3CCC3)CC[C@@H]2N1C1CC1 ZINC000248741044 135020817 /nfs/dbraw/zinc/02/08/17/135020817.db2.gz PVCLSRBSFJYCOJ-FZMZJTMJSA-N 1 0 248.370 2.014 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000248853799 135024043 /nfs/dbraw/zinc/02/40/43/135024043.db2.gz KHNGZFSFXKADSU-WOPDTQHZSA-N 1 0 248.374 2.007 10 0 BEAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC)C12CCOCC2 ZINC000248919766 135026678 /nfs/dbraw/zinc/02/66/78/135026678.db2.gz DVUFZOXPZJEDRJ-YNEHKIRRSA-N 1 0 241.375 2.349 10 0 BEAERO CC(C)(C)OCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000250303652 135051295 /nfs/dbraw/zinc/05/12/95/135051295.db2.gz ZELAOBODSVZMGS-OLZOCXBDSA-N 1 0 241.375 2.445 10 0 BEAERO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](C)C(=O)OC ZINC000251800355 135078153 /nfs/dbraw/zinc/07/81/53/135078153.db2.gz YDACQRAQPPBTKT-HBNTYKKESA-N 1 0 213.321 2.058 10 0 BEAERO CC[C@H]1CCC[N@H+](C[C@H](C)C(=O)OC)CC1 ZINC000251863465 135080033 /nfs/dbraw/zinc/08/00/33/135080033.db2.gz TUDKVXADGTUVCE-RYUDHWBXSA-N 1 0 227.348 2.308 10 0 BEAERO CC[C@@H]1CCC[N@H+](C[C@H](C)C(=O)OC)CC1 ZINC000251863463 135080120 /nfs/dbraw/zinc/08/01/20/135080120.db2.gz TUDKVXADGTUVCE-NWDGAFQWSA-N 1 0 227.348 2.308 10 0 BEAERO Cc1c(C[NH2+]C[C@H](C)C(C)C)cnn1C ZINC000086552137 135089520 /nfs/dbraw/zinc/08/95/20/135089520.db2.gz ZDKFNDVAWGNBSN-JTQLQIEISA-N 1 0 209.337 2.110 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCC1CC1 ZINC000252520620 135091991 /nfs/dbraw/zinc/09/19/91/135091991.db2.gz XCMAOHZLRWTTCU-JSGCOSHPSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC1CC1 ZINC000252520621 135092331 /nfs/dbraw/zinc/09/23/31/135092331.db2.gz XCMAOHZLRWTTCU-OCCSQVGLSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(F)(F)F ZINC000252661054 135094054 /nfs/dbraw/zinc/09/40/54/135094054.db2.gz KPQIKPDGFIVDMK-ZJUUUORDSA-N 1 0 236.281 2.107 10 0 BEAERO C[C@@H]([NH3+])CCNc1ncc(Cl)cc1F ZINC000086711210 135095320 /nfs/dbraw/zinc/09/53/20/135095320.db2.gz POVOUDLNYCPBSZ-ZCFIWIBFSA-N 1 0 217.675 2.023 10 0 BEAERO C[C@H]1CCCN(c2ccncc2Cl)[C@@H]1C[NH3+] ZINC000086840028 135097663 /nfs/dbraw/zinc/09/76/63/135097663.db2.gz MPXJOXMKTWTCFP-JOYOIKCWSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1CCCN(c2ccncc2Cl)[C@@H]1C[NH3+] ZINC000086840026 135097932 /nfs/dbraw/zinc/09/79/32/135097932.db2.gz MPXJOXMKTWTCFP-BXKDBHETSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000252713797 135100004 /nfs/dbraw/zinc/10/00/04/135100004.db2.gz QFLONRVMGKDWJY-KGYLQXTDSA-N 1 0 211.349 2.316 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000252727483 135102507 /nfs/dbraw/zinc/10/25/07/135102507.db2.gz GLDSCMYJYQBWQM-NMKXLXIOSA-N 1 0 222.376 2.390 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCC1 ZINC000086930750 135103391 /nfs/dbraw/zinc/10/33/91/135103391.db2.gz LPANDMUBWFVMJQ-UONOGXRCSA-N 1 0 222.376 2.345 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)O ZINC000087128942 135107182 /nfs/dbraw/zinc/10/71/82/135107182.db2.gz SSPRYUFBBIUFDJ-GRYCIOLGSA-N 1 0 207.317 2.415 10 0 BEAERO CC[C@H]([NH2+]C1COC1)c1ccc(C)cc1 ZINC000087194688 135111327 /nfs/dbraw/zinc/11/13/27/135111327.db2.gz TWCAYWPKQXVEKZ-ZDUSSCGKSA-N 1 0 205.301 2.435 10 0 BEAERO Cc1cscc1C[NH2+]Cc1cnn(C)c1C ZINC000087309672 135122899 /nfs/dbraw/zinc/12/28/99/135122899.db2.gz YUEAGAWKNYISCE-UHFFFAOYSA-N 1 0 235.356 2.388 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)C1 ZINC000253178627 135123388 /nfs/dbraw/zinc/12/33/88/135123388.db2.gz CBTUATDZUBUZLY-WISYIIOYSA-N 1 0 231.405 2.267 10 0 BEAERO Cc1nc(N[C@H](C)CCC[NH3+])sc1C ZINC000087362258 135126587 /nfs/dbraw/zinc/12/65/87/135126587.db2.gz KEDMMYUFDDBWTG-SSDOTTSWSA-N 1 0 213.350 2.299 10 0 BEAERO COc1ccccc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000258611460 135132655 /nfs/dbraw/zinc/13/26/55/135132655.db2.gz AYXCZAPNZWRIBX-CQSZACIVSA-N 1 0 248.370 2.254 10 0 BEAERO CC(C)CCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259138784 135137240 /nfs/dbraw/zinc/13/72/40/135137240.db2.gz VOEVYJPOLTYGQD-NSHDSACASA-N 1 0 226.364 2.008 10 0 BEAERO Cc1ncc(CN2CC[C@H](C)C[C@H]2C[NH3+])s1 ZINC000261532717 135163105 /nfs/dbraw/zinc/16/31/05/135163105.db2.gz DEJQXLKRWOCOHQ-ONGXEEELSA-N 1 0 239.388 2.011 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1nc(C)cnc1C ZINC000087780132 135168361 /nfs/dbraw/zinc/16/83/61/135168361.db2.gz WCMDNYTUJIZGDF-NSHDSACASA-N 1 0 222.336 2.023 10 0 BEAERO Cc1nc(N2CC[C@@H](C)C[C@H]2C[NH3+])sc1C ZINC000261534944 135168447 /nfs/dbraw/zinc/16/84/47/135168447.db2.gz UORHBDITEQYPQN-KCJUWKMLSA-N 1 0 239.388 2.324 10 0 BEAERO C[C@H]1CCN(Cc2cccs2)[C@H](C[NH3+])C1 ZINC000261535930 135170918 /nfs/dbraw/zinc/17/09/18/135170918.db2.gz PSQDEERQIOFTLM-QWRGUYRKSA-N 1 0 224.373 2.307 10 0 BEAERO C[C@H]1CCN(C(=O)CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000261537730 135174598 /nfs/dbraw/zinc/17/45/98/135174598.db2.gz UFBACYOUUFTSTN-RYUDHWBXSA-N 1 0 240.391 2.399 10 0 BEAERO C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538277 135175401 /nfs/dbraw/zinc/17/54/01/135175401.db2.gz VCIOJOMDSVQUED-NEPJUHHUSA-N 1 0 246.345 2.353 10 0 BEAERO CC1CCC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261540589 135180261 /nfs/dbraw/zinc/18/02/61/135180261.db2.gz AHJDQZHRDXWWPT-WUCCLRPBSA-N 1 0 236.403 2.354 10 0 BEAERO CC(C)c1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])ncn1 ZINC000261552055 135191574 /nfs/dbraw/zinc/19/15/74/135191574.db2.gz ZOTGCMIMZGQPCJ-NEPJUHHUSA-N 1 0 248.374 2.164 10 0 BEAERO CC[C@H](N[C@@H](C)[C@H](C)[NH3+])c1ccccc1OC ZINC000261554909 135194440 /nfs/dbraw/zinc/19/44/40/135194440.db2.gz PJYPOBKNDIFTPW-GVXVVHGQSA-N 1 0 236.359 2.472 10 0 BEAERO Cc1nc(CN2CC[C@H]([NH3+])C(C)(C)C2)cs1 ZINC000261585121 135225956 /nfs/dbraw/zinc/22/59/56/135225956.db2.gz QFGNKQXMRCFDNU-NSHDSACASA-N 1 0 239.388 2.011 10 0 BEAERO C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000261752797 135249804 /nfs/dbraw/zinc/24/98/04/135249804.db2.gz MVZACGMIRIALKZ-KGYLQXTDSA-N 1 0 238.375 2.199 10 0 BEAERO Nc1cccc2c1CCCN2CC1CC[NH2+]CC1 ZINC000261902694 135261651 /nfs/dbraw/zinc/26/16/51/135261651.db2.gz WHLJZPJDSMYYPE-UHFFFAOYSA-N 1 0 245.370 2.021 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262584968 135306910 /nfs/dbraw/zinc/30/69/10/135306910.db2.gz SCTBBQCGDMDARB-NEPJUHHUSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](CC1CC1)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263184215 135337830 /nfs/dbraw/zinc/33/78/30/135337830.db2.gz HDAVMIAIVVBPCR-QKCSRTOESA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000080456581 135374982 /nfs/dbraw/zinc/37/49/82/135374982.db2.gz ZILZQYBJUOCBDI-XVSSEFHLSA-N 1 0 238.375 2.199 10 0 BEAERO CCCn1ccc(C[NH2+][C@@H](C)C[C@H](C)O)c1 ZINC000164532981 135391124 /nfs/dbraw/zinc/39/11/24/135391124.db2.gz OOYONCBRRGRIDL-RYUDHWBXSA-N 1 0 224.348 2.147 10 0 BEAERO CCCn1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c1 ZINC000164532719 135391161 /nfs/dbraw/zinc/39/11/61/135391161.db2.gz OOYONCBRRGRIDL-NWDGAFQWSA-N 1 0 224.348 2.147 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000335676977 135422689 /nfs/dbraw/zinc/42/26/89/135422689.db2.gz AFGGHWGVULJDSB-POOIEITISA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000342603240 135445398 /nfs/dbraw/zinc/44/53/98/135445398.db2.gz XANXICZOOMVMKI-IJLUTSLNSA-N 1 0 240.391 2.458 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1C ZINC000085357080 135482367 /nfs/dbraw/zinc/48/23/67/135482367.db2.gz KRZZURDVTVLXJV-RYUDHWBXSA-N 1 0 232.327 2.369 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087121684 135501929 /nfs/dbraw/zinc/50/19/29/135501929.db2.gz MNPZVGZUIRGBNB-RYUDHWBXSA-N 1 0 226.364 2.023 10 0 BEAERO CCC[C@@H](CC)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122802 135502015 /nfs/dbraw/zinc/50/20/15/135502015.db2.gz DHMJGIYVLWWGHQ-IJLUTSLNSA-N 1 0 226.364 2.069 10 0 BEAERO CC1(C)CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000087657951 135510188 /nfs/dbraw/zinc/51/01/88/135510188.db2.gz PAOVIMKCUFYTHH-RYUDHWBXSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CC(CC[N@H+](C)CCO)C[C@H](C)C1 ZINC000089103537 135528694 /nfs/dbraw/zinc/52/86/94/135528694.db2.gz KUEFWZOXYFHSMS-VXGBXAGGSA-N 1 0 213.365 2.373 10 0 BEAERO Cc1ncccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000091495121 135562945 /nfs/dbraw/zinc/56/29/45/135562945.db2.gz WRBBQBVGIJPHPB-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC000097602895 135631328 /nfs/dbraw/zinc/63/13/28/135631328.db2.gz MLQDXMXDHLRZFH-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO COC[C@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020305274 135651244 /nfs/dbraw/zinc/65/12/44/135651244.db2.gz YMCLUSGZXPONCZ-NSHDSACASA-N 1 0 223.316 2.134 10 0 BEAERO CC(C)c1cnc(N2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000335294149 136005588 /nfs/dbraw/zinc/00/55/88/136005588.db2.gz AGBIHFJDXSZGGE-UWVGGRQHSA-N 1 0 239.388 2.440 10 0 BEAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2CC)n1C ZINC000348149138 136040013 /nfs/dbraw/zinc/04/00/13/136040013.db2.gz IZAZXXNNNJQIIT-WDEREUQCSA-N 1 0 236.363 2.046 10 0 BEAERO Cc1cnc([C@H](C)NCC[NH+]2CCCCC2)o1 ZINC000348360271 136072941 /nfs/dbraw/zinc/07/29/41/136072941.db2.gz PRIYQHRMPXMUQB-LBPRGKRZSA-N 1 0 237.347 2.120 10 0 BEAERO Cc1cnc([C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)o1 ZINC000335401019 136094045 /nfs/dbraw/zinc/09/40/45/136094045.db2.gz UTWZKPWIUUIJAK-MNOVXSKESA-N 1 0 237.347 2.103 10 0 BEAERO CC(C)CCOCC[NH2+]CCc1ccccn1 ZINC000049265531 166875982 /nfs/dbraw/zinc/87/59/82/166875982.db2.gz OXDBFKSWMACIJV-UHFFFAOYSA-N 1 0 236.359 2.276 10 0 BEAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000052338310 322854470 /nfs/dbraw/zinc/85/44/70/322854470.db2.gz CDOHAFSLMGXGBH-LLVKDONJSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@H]1CCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000388710871 397846625 /nfs/dbraw/zinc/84/66/25/397846625.db2.gz REFXDBSMMKSVOR-YWPUVAFDSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@H]1CCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000388710865 397846821 /nfs/dbraw/zinc/84/68/21/397846821.db2.gz REFXDBSMMKSVOR-WTIISPKJSA-N 1 0 238.375 2.199 10 0 BEAERO Cc1ccc([C@H]([NH3+])CC2OCCO2)c(F)c1F ZINC000231748177 397935931 /nfs/dbraw/zinc/93/59/31/397935931.db2.gz NABMHMAARVQUGC-SECBINFHSA-N 1 0 243.253 2.036 10 0 BEAERO CC[C@](C)([NH3+])c1ccc(Br)cn1 ZINC000306893912 397945051 /nfs/dbraw/zinc/94/50/51/397945051.db2.gz KISMXRMBYWMIPV-VIFPVBQESA-N 1 0 229.121 2.428 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000084447401 397966636 /nfs/dbraw/zinc/96/66/36/397966636.db2.gz SLVBWBXHZLAPBR-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N)c(F)c1 ZINC000020550857 397966688 /nfs/dbraw/zinc/96/66/88/397966688.db2.gz ZXIYVLSDDBRGRI-ONGXEEELSA-N 1 0 238.306 2.238 10 0 BEAERO OC1CC(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000084447409 397966695 /nfs/dbraw/zinc/96/66/95/397966695.db2.gz SJIHEGPHLGFDBZ-UHFFFAOYSA-N 1 0 225.719 2.201 10 0 BEAERO c1ccc([C@@H]2C[C@H]2C[NH2+]Cc2cncnc2)cc1 ZINC000111398092 397906319 /nfs/dbraw/zinc/90/63/19/397906319.db2.gz ZSZVMZQTAYZGRI-GJZGRUSLSA-N 1 0 239.322 2.370 10 0 BEAERO [NH3+][C@@H](CCOCc1ccccc1)C1=CCCO1 ZINC000307151417 397989723 /nfs/dbraw/zinc/98/97/23/397989723.db2.gz VUAMQEQBJWKQCZ-ZDUSSCGKSA-N 1 0 233.311 2.225 10 0 BEAERO C[C@H]([NH2+]CCCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000564826235 398045897 /nfs/dbraw/zinc/04/58/97/398045897.db2.gz HPDUFYKOJLAGFN-AAEUAGOBSA-N 1 0 210.365 2.154 10 0 BEAERO CN1CCC[C@H]1C[NH2+]C1(C2CCC2)CCC1 ZINC000649627597 398009085 /nfs/dbraw/zinc/00/90/85/398009085.db2.gz NOVCBGMNRJKWNQ-ZDUSSCGKSA-N 1 0 222.376 2.393 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](c2occc2Br)O1 ZINC000307185396 398015925 /nfs/dbraw/zinc/01/59/25/398015925.db2.gz IFXWLZBETVWZGS-POYBYMJQSA-N 1 0 246.104 2.221 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc2nc(C)sc2c1 ZINC000054073239 398025526 /nfs/dbraw/zinc/02/55/26/398025526.db2.gz IXZZRYXRPYJDSZ-SSDOTTSWSA-N 1 0 249.339 2.151 10 0 BEAERO CCCOc1cccc(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000054073590 398025590 /nfs/dbraw/zinc/02/55/90/398025590.db2.gz XLGUKVIEOHODRV-SNVBAGLBSA-N 1 0 236.315 2.022 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000383806697 398037731 /nfs/dbraw/zinc/03/77/31/398037731.db2.gz OWHZAMSISJRSIH-OLZOCXBDSA-N 1 0 240.391 2.269 10 0 BEAERO Fc1c(Br)ccc(C2C[NH2+]C2)c1F ZINC000575520059 397976746 /nfs/dbraw/zinc/97/67/46/397976746.db2.gz DKCIIRYXYSWWJT-UHFFFAOYSA-N 1 0 248.070 2.414 10 0 BEAERO [NH3+][C@H](c1ccsn1)C1CC(F)(F)C1 ZINC000307087935 397978977 /nfs/dbraw/zinc/97/89/77/397978977.db2.gz SKMHNDOQMVYLRI-ZETCQYMHSA-N 1 0 204.245 2.188 10 0 BEAERO Cc1cc(CC(=O)[C@H]2C=C[C@H]([NH3+])C2)cs1 ZINC000307133008 397985251 /nfs/dbraw/zinc/98/52/51/397985251.db2.gz WLLQRXNRDAWSMG-QWRGUYRKSA-N 1 0 221.325 2.072 10 0 BEAERO Cc1ccc(C(=O)[C@@H](C)C[NH3+])cc1Cl ZINC000231995767 397988138 /nfs/dbraw/zinc/98/81/38/397988138.db2.gz FTPVOSFHNOCKRX-QMMMGPOBSA-N 1 0 211.692 2.426 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC(O)C1 ZINC000394793036 398043896 /nfs/dbraw/zinc/04/38/96/398043896.db2.gz OCKUUXURIKRFPC-CQLXCSJHSA-N 1 0 211.349 2.173 10 0 BEAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CCO)C1 ZINC000161582618 398069149 /nfs/dbraw/zinc/06/91/49/398069149.db2.gz MEPMHPOFVWMHER-CHWSQXEVSA-N 1 0 219.328 2.452 10 0 BEAERO C[C@@H](C[N@@H+]1CCCC[C@@H]1CN)C(C)(C)C ZINC000389309839 398072805 /nfs/dbraw/zinc/07/28/05/398072805.db2.gz BIOPJRQWROLBEC-NWDGAFQWSA-N 1 0 212.381 2.482 10 0 BEAERO CC[NH2+]CCC1=N[C@@H](c2ccccc2)N(CC)O1 ZINC000584613891 398078005 /nfs/dbraw/zinc/07/80/05/398078005.db2.gz MANKAHVDIPGCDM-CQSZACIVSA-N 1 0 247.342 2.350 10 0 BEAERO CC[NH2+]CCC1=N[C@H](c2ccccc2)N(CC)O1 ZINC000584613890 398078113 /nfs/dbraw/zinc/07/81/13/398078113.db2.gz MANKAHVDIPGCDM-AWEZNQCLSA-N 1 0 247.342 2.350 10 0 BEAERO CC[NH2+][C@@H]1CCc2c(cc(OC)cc2OC)C1 ZINC000584626021 398079633 /nfs/dbraw/zinc/07/96/33/398079633.db2.gz CWOCUABSHZXOHN-LLVKDONJSA-N 1 0 235.327 2.171 10 0 BEAERO Cc1nnc(CN(C)[C@H](C)c2ccccc2)n1C ZINC000051709646 398057221 /nfs/dbraw/zinc/05/72/21/398057221.db2.gz NDPDJANJJGPJAQ-LLVKDONJSA-N 1 0 244.342 2.317 10 0 BEAERO FC(F)(F)c1cscc1C1C[NH2+]C1 ZINC000306175106 398120168 /nfs/dbraw/zinc/12/01/68/398120168.db2.gz UTGWYTIWNBGSJV-UHFFFAOYSA-N 1 0 207.220 2.454 10 0 BEAERO CCn1c(C)nnc1C[NH2+]C1(C2CCC2)CC1 ZINC000649807656 398114417 /nfs/dbraw/zinc/11/44/17/398114417.db2.gz ADDSJYDEAQPEQZ-UHFFFAOYSA-N 1 0 234.347 2.029 10 0 BEAERO CC[C@]1(C(=O)N2CCC[C@@H](C)[C@@H]2C)CC[NH2+]C1 ZINC000062903437 1172788270 /nfs/dbraw/zinc/78/82/70/1172788270.db2.gz JJSASUKTQBTLPW-DYEKYZERSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2ccco2)C1 ZINC000088668903 167028131 /nfs/dbraw/zinc/02/81/31/167028131.db2.gz OIVJWASEHOGFHN-YPMHNXCESA-N 1 0 222.332 2.098 10 0 BEAERO CC1(C)CCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000094327479 487528951 /nfs/dbraw/zinc/52/89/51/487528951.db2.gz QSEIWBHLVDGINK-MCIGGMRASA-N 1 0 238.375 2.199 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336654280 175551748 /nfs/dbraw/zinc/55/17/48/175551748.db2.gz MSURBXXRXMHUQJ-VPOLOUISSA-N 1 0 215.362 2.038 10 0 BEAERO Clc1cnccc1NC[C@H]1CCCC[NH2+]1 ZINC000086839749 487562381 /nfs/dbraw/zinc/56/23/81/487562381.db2.gz PHMCCOVEYZFTMF-SECBINFHSA-N 1 0 225.723 2.289 10 0 BEAERO CCc1ccc(CNC[C@@H](C)[NH2+]C)s1 ZINC000225381081 487563914 /nfs/dbraw/zinc/56/39/14/487563914.db2.gz ONDUZIWDVXMWII-SECBINFHSA-N 1 0 212.362 2.008 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094956506 487565305 /nfs/dbraw/zinc/56/53/05/487565305.db2.gz HOFYCNWPIZMXRF-BXKDBHETSA-N 1 0 238.306 2.049 10 0 BEAERO C[C@H](NC(=[NH2+])NC1CC1)c1cccs1 ZINC000052041935 176783965 /nfs/dbraw/zinc/78/39/65/176783965.db2.gz HGIWBTOCWGZUTC-ZETCQYMHSA-N 1 0 209.318 2.085 10 0 BEAERO OC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCSCC1 ZINC000393250026 487569262 /nfs/dbraw/zinc/56/92/62/487569262.db2.gz YVACVZVDFGRQJS-QJPTWQEYSA-N 1 0 241.400 2.023 10 0 BEAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1cccs1 ZINC000086853257 487570121 /nfs/dbraw/zinc/57/01/21/487570121.db2.gz FZEWWJKGMQSYJP-SECBINFHSA-N 1 0 238.356 2.197 10 0 BEAERO CC(C)OCCC1([NH3+])Cc2ccccc2C1 ZINC000053753967 167202021 /nfs/dbraw/zinc/20/20/21/167202021.db2.gz MONDVLFZJZMHRV-UHFFFAOYSA-N 1 0 219.328 2.298 10 0 BEAERO CC[N@H+](CCC1CC1)[C@@H]1CCCC[C@H]1O ZINC000355038470 487576982 /nfs/dbraw/zinc/57/69/82/487576982.db2.gz MTYRRCYXXBDICD-CHWSQXEVSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)OCC[N@@H+]1CC(C)(C)NC[C@H]1C(C)C ZINC000062620945 167231971 /nfs/dbraw/zinc/23/19/71/167231971.db2.gz CIBBXDNARZXOPZ-ZDUSSCGKSA-N 1 0 242.407 2.120 10 0 BEAERO CC(C)OCCO[C@H](C[NH3+])c1cccc(F)c1 ZINC000042973788 167249197 /nfs/dbraw/zinc/24/91/97/167249197.db2.gz ZLJLPNSAEIWRAY-CYBMUJFWSA-N 1 0 241.306 2.267 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccsc1 ZINC000084447100 322913234 /nfs/dbraw/zinc/91/32/34/322913234.db2.gz KZCAPEGJRJRJKS-SILCLGDVSA-N 1 0 211.330 2.170 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]CC2CC(O)C2)[C@H](C)C1 ZINC000084447190 322913317 /nfs/dbraw/zinc/91/33/17/322913317.db2.gz DLWVMQLWJSFYKP-KRDKVTMHSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000228194357 487596931 /nfs/dbraw/zinc/59/69/31/487596931.db2.gz DOJOXTBUNBXSJV-UXIGCNINSA-N 1 0 249.354 2.216 10 0 BEAERO CC(C)SCC[N@@H+]1CCCC[C@H](CO)C1 ZINC000369502235 167324361 /nfs/dbraw/zinc/32/43/61/167324361.db2.gz FLYLJQQAGYTWDY-LBPRGKRZSA-N 1 0 231.405 2.222 10 0 BEAERO CC[C@@H](C)N(CC)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122214 487609994 /nfs/dbraw/zinc/60/99/94/487609994.db2.gz KHJPYHQMQMKJGL-IJLUTSLNSA-N 1 0 226.364 2.022 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122216 487610026 /nfs/dbraw/zinc/61/00/26/487610026.db2.gz KHJPYHQMQMKJGL-QJPTWQEYSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)SCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000369504882 167329429 /nfs/dbraw/zinc/32/94/29/167329429.db2.gz VZOJEMHQWIIQDB-STQMWFEESA-N 1 0 242.432 2.297 10 0 BEAERO CC[C@@H](NC(=O)c1cccc2c1C[NH2+]C2)C(C)C ZINC000662410389 409701914 /nfs/dbraw/zinc/70/19/14/409701914.db2.gz YZAKXEFYBLEBJZ-CQSZACIVSA-N 1 0 246.354 2.454 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1F)c1cccnc1 ZINC000037466390 409739697 /nfs/dbraw/zinc/73/96/97/409739697.db2.gz UUMPGRZUCGEKSO-ZDUSSCGKSA-N 1 0 216.259 2.463 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662665530 409826440 /nfs/dbraw/zinc/82/64/40/409826440.db2.gz JVOLZRNRMOQIAO-CMPLNLGQSA-N 1 0 226.364 2.056 10 0 BEAERO CN(CC(C)(C)C)C(=O)C1CCC([NH3+])CC1 ZINC000045087871 409872476 /nfs/dbraw/zinc/87/24/76/409872476.db2.gz YHNVHUITNMOLHT-UHFFFAOYSA-N 1 0 226.364 2.008 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccnnc2)CC1 ZINC000616627005 409874223 /nfs/dbraw/zinc/87/42/23/409874223.db2.gz HKVVFQJPQPEIRY-NSHDSACASA-N 1 0 205.305 2.066 10 0 BEAERO Brc1cc2c(s1)CC[NH2+]CC2 ZINC000043103660 166096047 /nfs/dbraw/zinc/09/60/47/166096047.db2.gz MCKWBRANODTGNH-UHFFFAOYSA-N 1 0 232.146 2.199 10 0 BEAERO CC(C)(C)CCCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000313475474 410068393 /nfs/dbraw/zinc/06/83/93/410068393.db2.gz DXRGMQDAPWMWFQ-GFCCVEGCSA-N 1 0 240.391 2.461 10 0 BEAERO Brc1ccc(C2CC[NH2+]CC2)nc1 ZINC000095761533 166097238 /nfs/dbraw/zinc/09/72/38/166097238.db2.gz NJJRJGVTDADMTP-UHFFFAOYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccc([C@H]2CC[NH2+]C2)o1 ZINC000082370066 166099378 /nfs/dbraw/zinc/09/93/78/166099378.db2.gz CVQQXSTYIQLGMR-LURJTMIESA-N 1 0 216.078 2.119 10 0 BEAERO Brc1csc(C2CC[NH2+]CC2)n1 ZINC000044122186 166105683 /nfs/dbraw/zinc/10/56/83/166105683.db2.gz ZBFMWLRBFKKZJC-UHFFFAOYSA-N 1 0 247.161 2.373 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128933590 410365234 /nfs/dbraw/zinc/36/52/34/410365234.db2.gz YCAWLMNKPJHYAZ-NWDGAFQWSA-N 1 0 228.380 2.301 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC1CCC(C)CC1 ZINC000128875886 410365822 /nfs/dbraw/zinc/36/58/22/410365822.db2.gz UMYBYNCJBHUBAL-HTAVTVPLSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC1(C)CCCCC1 ZINC000129021188 410366015 /nfs/dbraw/zinc/36/60/15/410366015.db2.gz LCKRNHCSFUJOTL-NSHDSACASA-N 1 0 226.364 2.199 10 0 BEAERO CC(C)(C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000122170736 166567998 /nfs/dbraw/zinc/56/79/98/166567998.db2.gz QTQSGDTYDWQYMR-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)(C)C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309083094 166590300 /nfs/dbraw/zinc/59/03/00/166590300.db2.gz SKSDUSJBNSZZST-NSHDSACASA-N 1 0 211.349 2.439 10 0 BEAERO CC(C)(C)NC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145199 166626303 /nfs/dbraw/zinc/62/63/03/166626303.db2.gz USNCVVHONKDQOS-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000651198456 410857802 /nfs/dbraw/zinc/85/78/02/410857802.db2.gz NTTCTQKLZMVWGM-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000651199212 410860040 /nfs/dbraw/zinc/86/00/40/410860040.db2.gz FNLLOVMQIMHRJL-BFHYXJOUSA-N 1 0 223.360 2.458 10 0 BEAERO CC(C)CNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042862678 166985432 /nfs/dbraw/zinc/98/54/32/166985432.db2.gz AXYRAZMLBHVTDS-QWHCGFSZSA-N 1 0 240.391 2.175 10 0 BEAERO CC(C)[C@H]([NH2+][C@H]1CCCN[C@H]1C)C1CC1 ZINC000396654764 410892913 /nfs/dbraw/zinc/89/29/13/410892913.db2.gz FNPKIMXVFVSYEY-DRZSPHRISA-N 1 0 210.365 2.151 10 0 BEAERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCN[C@@H]1C ZINC000396640915 410894306 /nfs/dbraw/zinc/89/43/06/410894306.db2.gz MVHRREMUPQUICM-WZRBSPASSA-N 1 0 238.400 2.409 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000040852366 410894584 /nfs/dbraw/zinc/89/45/84/410894584.db2.gz WOCIJGCOGUTDAX-LDYMZIIASA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)C[NH2+]CCCOc1ccccn1 ZINC000057353401 167002560 /nfs/dbraw/zinc/00/25/60/167002560.db2.gz QULOXPQXHIIGCN-UHFFFAOYSA-N 1 0 208.305 2.096 10 0 BEAERO CC(C)C[NH2+]CC[C@H](O)c1cccs1 ZINC000049815467 167005077 /nfs/dbraw/zinc/00/50/77/167005077.db2.gz IGRDUXXPERACSF-JTQLQIEISA-N 1 0 213.346 2.417 10 0 BEAERO CC(C)C[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000037852143 167007011 /nfs/dbraw/zinc/00/70/11/167007011.db2.gz UGLAYENDUSNOSQ-MOKVOYLWSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)C[NH2+]Cc1cc(N2CCCC2)ccn1 ZINC000051399131 167008045 /nfs/dbraw/zinc/00/80/45/167008045.db2.gz ROSIIOCPDZFCOZ-UHFFFAOYSA-N 1 0 233.359 2.427 10 0 BEAERO CC(C)C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000378356641 167008823 /nfs/dbraw/zinc/00/88/23/167008823.db2.gz VXOALNWMIDKNGL-LLVKDONJSA-N 1 0 207.321 2.006 10 0 BEAERO CC(C)C[NH2+]Cc1ccc(OC[C@@H](C)O)cc1 ZINC000062728919 167010061 /nfs/dbraw/zinc/01/00/61/167010061.db2.gz ZYXBCDFYNMAPMQ-GFCCVEGCSA-N 1 0 237.343 2.192 10 0 BEAERO CC(C)C[NH2+][C@]1(C(N)=O)C[C@@H](C)CC(C)(C)C1 ZINC000037946060 167014644 /nfs/dbraw/zinc/01/46/44/167014644.db2.gz WJRCVBXEUHVQAT-SMDDNHRTSA-N 1 0 240.391 2.302 10 0 BEAERO CC(C)NC(=O)N(CCC[NH3+])C1CCCCC1 ZINC000036731718 167067126 /nfs/dbraw/zinc/06/71/26/167067126.db2.gz XPUVVXSFAJEIFH-UHFFFAOYSA-N 1 0 241.379 2.088 10 0 BEAERO CC(C)[NH2+]C1(c2nccs2)CCN(C)CC1 ZINC000041061597 167094618 /nfs/dbraw/zinc/09/46/18/167094618.db2.gz CIIQNBPNJPJFOP-UHFFFAOYSA-N 1 0 239.388 2.062 10 0 BEAERO CC(C)[NH2+]CCCc1nnc(-c2ccccn2)o1 ZINC000050617546 167101791 /nfs/dbraw/zinc/10/17/91/167101791.db2.gz JUORIUHQJCNRRE-UHFFFAOYSA-N 1 0 246.314 2.062 10 0 BEAERO CC(C)[NH2+]CCCCc1ccc2oc(=O)[nH]c2c1 ZINC000077423492 167102311 /nfs/dbraw/zinc/10/23/11/167102311.db2.gz NHUNOLAZEUERMP-UHFFFAOYSA-N 1 0 248.326 2.442 10 0 BEAERO CC(C)[NH2+]CCCc1nc(-c2ccncc2)no1 ZINC000037605502 167102955 /nfs/dbraw/zinc/10/29/55/167102955.db2.gz QUWWQJJKWQUTJR-UHFFFAOYSA-N 1 0 246.314 2.062 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1ccccc1F ZINC000042307446 167104557 /nfs/dbraw/zinc/10/45/57/167104557.db2.gz QCUPPOMBOMWJPI-UHFFFAOYSA-N 1 0 224.323 2.256 10 0 BEAERO CC(C)[NH2+]CCN1CCCC2(CCC2)C1 ZINC000308981816 167105086 /nfs/dbraw/zinc/10/50/86/167105086.db2.gz IKCZIWZTYKDCTN-UHFFFAOYSA-N 1 0 210.365 2.251 10 0 BEAERO CC(C)[NH2+]C[C@@H](C(C)C)N1CCCO[C@H](C)C1 ZINC000061935673 167109016 /nfs/dbraw/zinc/10/90/16/167109016.db2.gz LJCUBQUZKZCRKS-KGLIPLIRSA-N 1 0 242.407 2.120 10 0 BEAERO CC(C)[NH2+]CCOc1ncnc2ccccc21 ZINC000051871886 167109566 /nfs/dbraw/zinc/10/95/66/167109566.db2.gz MSTQAWLJQOQANZ-UHFFFAOYSA-N 1 0 231.299 2.007 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCN1c1nccs1 ZINC000053694028 167113020 /nfs/dbraw/zinc/11/30/20/167113020.db2.gz AQHFWJSAGJCWFE-JTQLQIEISA-N 1 0 225.361 2.110 10 0 BEAERO CC(C)[NH2+]C[C@H](C)N1Cc2ccccc2C1 ZINC000052374239 167113738 /nfs/dbraw/zinc/11/37/38/167113738.db2.gz DCMBJIYFBMKTEQ-LBPRGKRZSA-N 1 0 218.344 2.389 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCCN1Cc1ccccn1 ZINC000053651631 167114749 /nfs/dbraw/zinc/11/47/49/167114749.db2.gz UWJMEVHPMFYPRF-OAHLLOKOSA-N 1 0 247.386 2.434 10 0 BEAERO CC(C)[NH2+]Cc1cc(Cl)ccc1OCCO ZINC000034815492 167117365 /nfs/dbraw/zinc/11/73/65/167117365.db2.gz NBZKURHHMVYUKC-UHFFFAOYSA-N 1 0 243.734 2.209 10 0 BEAERO CC(C)[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000125251237 167140851 /nfs/dbraw/zinc/14/08/51/167140851.db2.gz FXWUUSRUFHBYBN-CQSZACIVSA-N 1 0 220.360 2.157 10 0 BEAERO CC[NH+](CC)CCNc1ncnc2ccccc21 ZINC000037488233 169782506 /nfs/dbraw/zinc/78/25/06/169782506.db2.gz YBAKAQCVFXIOIK-UHFFFAOYSA-N 1 0 244.342 2.384 10 0 BEAERO CC[NH+](CC)CCOc1ccccc1[C@@H](C)O ZINC000035199355 169783065 /nfs/dbraw/zinc/78/30/65/169783065.db2.gz ZFMMEZWBDLAZTH-GFCCVEGCSA-N 1 0 237.343 2.461 10 0 BEAERO CC[NH+](CC)CC[C@H](O)c1cccc(OC)c1 ZINC000041629605 169783633 /nfs/dbraw/zinc/78/36/33/169783633.db2.gz BVQZNTIEIIVTOA-AWEZNQCLSA-N 1 0 237.343 2.461 10 0 BEAERO CC(C)OCCN1C[C@H](C)[NH2+]Cc2ccccc21 ZINC000062623426 167238132 /nfs/dbraw/zinc/23/81/32/167238132.db2.gz ZQQSIGVOJHXNQZ-ZDUSSCGKSA-N 1 0 248.370 2.410 10 0 BEAERO CC(C)OCCOCC[NH2+][C@H](C)c1ccco1 ZINC000053556431 167248083 /nfs/dbraw/zinc/24/80/83/167248083.db2.gz GVSGTYJSIIFXIJ-GFCCVEGCSA-N 1 0 241.331 2.372 10 0 BEAERO CC(C)OCCO[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000019282837 167249119 /nfs/dbraw/zinc/24/91/19/167249119.db2.gz NKHKRQIQNKMOLD-UONOGXRCSA-N 1 0 235.327 2.053 10 0 BEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042861284 167262310 /nfs/dbraw/zinc/26/23/10/167262310.db2.gz DGCTYWRYSPMDFF-IHRRRGAJSA-N 1 0 243.391 2.188 10 0 BEAERO CC[NH+](CC)C[C@@H](N)c1ccc(F)cc1 ZINC000019821254 169786080 /nfs/dbraw/zinc/78/60/80/169786080.db2.gz PXCYKTJPNULJLO-GFCCVEGCSA-N 1 0 210.296 2.167 10 0 BEAERO CC(C)Oc1c(C[NH3+])cnc2ccccc21 ZINC000036913728 167283876 /nfs/dbraw/zinc/28/38/76/167283876.db2.gz JREHNGBTELKRDY-UHFFFAOYSA-N 1 0 216.284 2.481 10 0 BEAERO CC(C)Oc1ccc(C(=O)CCC[NH3+])cc1 ZINC000074367673 167289584 /nfs/dbraw/zinc/28/95/84/167289584.db2.gz RDCQKDCTLKUHJD-UHFFFAOYSA-N 1 0 221.300 2.395 10 0 BEAERO CC(C)Oc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000041260914 167291061 /nfs/dbraw/zinc/29/10/61/167291061.db2.gz NECDVAJNFOFUJL-CYBMUJFWSA-N 1 0 233.311 2.409 10 0 BEAERO CC(C)Oc1ccc(C2([NH3+])CCOCC2)cc1 ZINC000063077093 167292432 /nfs/dbraw/zinc/29/24/32/167292432.db2.gz ZQLOOFSPCZYRAJ-UHFFFAOYSA-N 1 0 235.327 2.438 10 0 BEAERO CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CC2)cc1 ZINC000033465487 167299788 /nfs/dbraw/zinc/29/97/88/167299788.db2.gz RGNDSRBHJIZCRP-AWEZNQCLSA-N 1 0 235.327 2.259 10 0 BEAERO CC(C)Oc1ccc([C@H](O)CC[NH+](C)C)cc1 ZINC000041146310 167301209 /nfs/dbraw/zinc/30/12/09/167301209.db2.gz JLVDDJSJYOCSBL-CQSZACIVSA-N 1 0 237.343 2.459 10 0 BEAERO CC(C)Oc1ccc([C@](C)(O)C[NH2+]C2CC2)cc1 ZINC000032104687 167301895 /nfs/dbraw/zinc/30/18/95/167301895.db2.gz FZMHFGZNPIFHQM-OAHLLOKOSA-N 1 0 249.354 2.433 10 0 BEAERO CC(C)Oc1ccc([C@]2(C)C[C@H]2[NH3+])cc1 ZINC000052126234 167302696 /nfs/dbraw/zinc/30/26/96/167302696.db2.gz CCPMRCYUDRNFIW-OLZOCXBDSA-N 1 0 205.301 2.463 10 0 BEAERO CC(C)Oc1cccc([C@H](O)CC[NH+](C)C)c1 ZINC000041629330 167308698 /nfs/dbraw/zinc/30/86/98/167308698.db2.gz YEPGBRXWPHNMSK-CQSZACIVSA-N 1 0 237.343 2.459 10 0 BEAERO CC(C)Oc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000038006232 167309755 /nfs/dbraw/zinc/30/97/55/167309755.db2.gz HRANBQKSHHDXEC-UHFFFAOYSA-N 1 0 245.326 2.487 10 0 BEAERO CC(C)Oc1ncccc1CNc1[nH+]ccn1C ZINC000050606278 167313965 /nfs/dbraw/zinc/31/39/65/167313965.db2.gz NTKCPQBYTRASIN-UHFFFAOYSA-N 1 0 246.314 2.214 10 0 BEAERO CC(C)Sc1ccc(C[NH2+]CCO)cc1 ZINC000098125018 167336874 /nfs/dbraw/zinc/33/68/74/167336874.db2.gz LBYRMLZWQABYIJ-UHFFFAOYSA-N 1 0 225.357 2.269 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)C1(C[NH3+])CCCC1 ZINC000044762849 167362306 /nfs/dbraw/zinc/36/23/06/167362306.db2.gz DJUDJUMBRVMECA-LLVKDONJSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@@H](C)N(C)c1ccc(C[NH3+])cn1 ZINC000036786379 167371148 /nfs/dbraw/zinc/37/11/48/167371148.db2.gz VFNLRBXRBIAPEB-SNVBAGLBSA-N 1 0 207.321 2.021 10 0 BEAERO CC(C)[C@@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000020309676 167380083 /nfs/dbraw/zinc/38/00/83/167380083.db2.gz HQPHMANTZFATNH-GFCCVEGCSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000309670069 167382842 /nfs/dbraw/zinc/38/28/42/167382842.db2.gz JMFBCUIFHDIUMO-NEPJUHHUSA-N 1 0 221.348 2.080 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000291214526 167384498 /nfs/dbraw/zinc/38/44/98/167384498.db2.gz OKVCMMJQQOONPB-MRVPVSSYSA-N 1 0 231.290 2.492 10 0 BEAERO CC(C)[C@@H](C[NH2+]C1COC1)c1ccccc1 ZINC000231359689 167398299 /nfs/dbraw/zinc/39/82/99/167398299.db2.gz KTTOLEQVYWZFOZ-CQSZACIVSA-N 1 0 219.328 2.415 10 0 BEAERO CC[C@@H]1C[C@@H](C)CN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000399496014 411045345 /nfs/dbraw/zinc/04/53/45/411045345.db2.gz AGFYXECOCXDGBT-IJLUTSLNSA-N 1 0 226.364 2.007 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CCC(C)(C)C ZINC000399832087 411065447 /nfs/dbraw/zinc/06/54/47/411065447.db2.gz ZDMOBGMJEPZHHR-RYUDHWBXSA-N 1 0 240.391 2.269 10 0 BEAERO CC[NH+](CC)[C@@H](CN)CCc1ccccc1 ZINC000032021403 169797635 /nfs/dbraw/zinc/79/76/35/169797635.db2.gz JPIPQKXKVPTYDA-CQSZACIVSA-N 1 0 220.360 2.288 10 0 BEAERO CC(C)c1ccc(C[C@](C)(O)C[NH3+])cc1 ZINC000019684383 167600687 /nfs/dbraw/zinc/60/06/87/167600687.db2.gz QDQFKFRROUVUBG-ZDUSSCGKSA-N 1 0 207.317 2.062 10 0 BEAERO CC(C)c1ccc2c(c1)[C@@H](CC[NH3+])C(=O)N2 ZINC000071483450 167624625 /nfs/dbraw/zinc/62/46/25/167624625.db2.gz DUJULJRXIHGUKP-SNVBAGLBSA-N 1 0 218.300 2.195 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657891329 411156021 /nfs/dbraw/zinc/15/60/21/411156021.db2.gz ZDFKAZAQUBMBQJ-JHJVBQTASA-N 1 0 243.416 2.413 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000657894362 411157549 /nfs/dbraw/zinc/15/75/49/411157549.db2.gz ZAOPTDXRGUQDGM-IJLUTSLNSA-N 1 0 209.333 2.070 10 0 BEAERO C[C@H](N(C)C(=O)CC[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000310589017 411242357 /nfs/dbraw/zinc/24/23/57/411242357.db2.gz XXHTXNOXMSAZSP-NWDGAFQWSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH+](CC)[C@H]1CCc2ccccc2[C@H]1N ZINC000020260146 169803032 /nfs/dbraw/zinc/80/30/32/169803032.db2.gz UFJFULDDAOIXSR-UONOGXRCSA-N 1 0 218.344 2.343 10 0 BEAERO C[N@H+](CCOC(C)(C)C)C[C@@H]1CCC[C@@H](O)C1 ZINC000660017538 411176713 /nfs/dbraw/zinc/17/67/13/411176713.db2.gz MVPBOJJQLJCUKK-CHWSQXEVSA-N 1 0 243.391 2.284 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CN(CC)C[C@H]1C)C(C)C ZINC000336773678 411181562 /nfs/dbraw/zinc/18/15/62/411181562.db2.gz ZAGDBLKGDPCSDG-FRRDWIJNSA-N 1 0 212.381 2.351 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CS1 ZINC000655698502 411248242 /nfs/dbraw/zinc/24/82/42/411248242.db2.gz GLPHYOQXVJOBBO-NOOOWODRSA-N 1 0 229.389 2.164 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000128952236 411194098 /nfs/dbraw/zinc/19/40/98/411194098.db2.gz CTCMVBFZAMAXQH-WDEREUQCSA-N 1 0 228.380 2.253 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC1(C)CCCCC1 ZINC000129020965 411201410 /nfs/dbraw/zinc/20/14/10/411201410.db2.gz LCKRNHCSFUJOTL-LLVKDONJSA-N 1 0 226.364 2.199 10 0 BEAERO C[C@H]1C[C@H](CC[N@H+](C)CCO)C[C@@H](C)C1 ZINC000246214523 411203206 /nfs/dbraw/zinc/20/32/06/411203206.db2.gz KUEFWZOXYFHSMS-ITGUQSILSA-N 1 0 213.365 2.373 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCCC[C@@H]1C ZINC000129082247 411218122 /nfs/dbraw/zinc/21/81/22/411218122.db2.gz UBDUPXUDLQCEBK-RYUDHWBXSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCNC2=O)cc1C ZINC000658055679 411222395 /nfs/dbraw/zinc/22/23/95/411222395.db2.gz UALZZMRSMGGEHU-TZMCWYRMSA-N 1 0 246.354 2.151 10 0 BEAERO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000658054222 411223529 /nfs/dbraw/zinc/22/35/29/411223529.db2.gz OXBREOGTNHARGC-UONOGXRCSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CS1 ZINC000655686510 411230225 /nfs/dbraw/zinc/23/02/25/411230225.db2.gz JOGONPWFDUWYHK-WOPDTQHZSA-N 1 0 229.389 2.429 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C2COCCOC2)CC(C)(C)C1 ZINC000310497818 411239902 /nfs/dbraw/zinc/23/99/02/411239902.db2.gz QERAWUOLXOUGSY-NEPJUHHUSA-N 1 0 241.375 2.206 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]C2COCCOC2)CC(C)(C)C1 ZINC000310497819 411239948 /nfs/dbraw/zinc/23/99/48/411239948.db2.gz QERAWUOLXOUGSY-NWDGAFQWSA-N 1 0 241.375 2.206 10 0 BEAERO C[N@H+](CCc1ccccn1)C[C@@H]1CCC[C@@H](O)C1 ZINC000310866751 411287750 /nfs/dbraw/zinc/28/77/50/411287750.db2.gz PAGUEBAZCCVSGL-UKRRQHHQSA-N 1 0 248.370 2.107 10 0 BEAERO CCCC[NH2+]C[C@H](O)CNc1ccc(C)cc1 ZINC000003636349 411292643 /nfs/dbraw/zinc/29/26/43/411292643.db2.gz LVUIVGRUWGKZII-AWEZNQCLSA-N 1 0 236.359 2.158 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC1CCCCCC1 ZINC000128891787 411296362 /nfs/dbraw/zinc/29/63/62/411296362.db2.gz UBZJOKHYTPPIDV-LBPRGKRZSA-N 1 0 226.364 2.199 10 0 BEAERO C[C@@]1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1(F)F ZINC000658220122 411299666 /nfs/dbraw/zinc/29/96/66/411299666.db2.gz PIBDNNOEQZYJKJ-XNDJQWLSSA-N 1 0 245.313 2.435 10 0 BEAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658236556 411306076 /nfs/dbraw/zinc/30/60/76/411306076.db2.gz JLESNLPMKGGCLV-KMUNFCNLSA-N 1 0 247.338 2.394 10 0 BEAERO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658241827 411308279 /nfs/dbraw/zinc/30/82/79/411308279.db2.gz OIHCOLHRLVPZPY-AGIUHOORSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658239817 411309412 /nfs/dbraw/zinc/30/94/12/411309412.db2.gz FGZIDBMJOCMDEJ-YPMHNXCESA-N 1 0 238.375 2.023 10 0 BEAERO CN1C[C@@H](C[NH2+][C@H]2CCCCC2(C)C)CC1=O ZINC000658244973 411310020 /nfs/dbraw/zinc/31/00/20/411310020.db2.gz VJGVEOXKTVLRQE-NEPJUHHUSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658243784 411310250 /nfs/dbraw/zinc/31/02/50/411310250.db2.gz GUPIWKPIMPBNEN-OCCSQVGLSA-N 1 0 246.354 2.206 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000658244209 411310328 /nfs/dbraw/zinc/31/03/28/411310328.db2.gz KJHAEDMNVOOVJJ-OLZOCXBDSA-N 1 0 246.354 2.124 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000658244211 411310369 /nfs/dbraw/zinc/31/03/69/411310369.db2.gz KJHAEDMNVOOVJJ-STQMWFEESA-N 1 0 246.354 2.124 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(F)c(F)c1 ZINC000658350588 411352014 /nfs/dbraw/zinc/35/20/14/411352014.db2.gz GKTTYTXCGCJQOP-SILCLGDVSA-N 1 0 241.281 2.386 10 0 BEAERO C[C@@H](Cc1cccs1)[NH2+]C1CC(CO)C1 ZINC000658350401 411352180 /nfs/dbraw/zinc/35/21/80/411352180.db2.gz DJQZHOWWCWWZFD-WHXUTIOJSA-N 1 0 225.357 2.040 10 0 BEAERO OCC1CC([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000658351874 411354549 /nfs/dbraw/zinc/35/45/49/411354549.db2.gz QIDSEXXFMBDYGJ-ASYNLNLVSA-N 1 0 235.302 2.174 10 0 BEAERO C[C@H](CCc1ccccc1)[NH2+]C1CC(CO)C1 ZINC000658352503 411354665 /nfs/dbraw/zinc/35/46/65/411354665.db2.gz XUCOSIZWKQWZDQ-LRVUVFPRSA-N 1 0 233.355 2.368 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000658352395 411354776 /nfs/dbraw/zinc/35/47/76/411354776.db2.gz GAMPUFCBQUVNIR-HTAVTVPLSA-N 1 0 209.333 2.070 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cccc(F)c1 ZINC000658352063 411355420 /nfs/dbraw/zinc/35/54/20/411355420.db2.gz SCFVKCQGWFRFTE-TTXORMCVSA-N 1 0 223.291 2.247 10 0 BEAERO CC1(C)CN(Cc2ccccc2)[C@](C)(C[NH3+])CO1 ZINC000096962384 167961224 /nfs/dbraw/zinc/96/12/24/167961224.db2.gz MDAPKSKZEXNNTL-OAHLLOKOSA-N 1 0 248.370 2.015 10 0 BEAERO C[C@@H]1CCCN(c2ncccc2Cl)[C@@H]1C[NH3+] ZINC000069727379 411357651 /nfs/dbraw/zinc/35/76/51/411357651.db2.gz VQMRFNSOLGDKIA-MWLCHTKSSA-N 1 0 239.750 2.299 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1ncnc2c1CCCC2 ZINC000130593673 411357743 /nfs/dbraw/zinc/35/77/43/411357743.db2.gz GOZUBPBYQBQNTG-NSHDSACASA-N 1 0 248.374 2.285 10 0 BEAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[C@H]1CCCO1 ZINC000130514267 411357797 /nfs/dbraw/zinc/35/77/97/411357797.db2.gz BPNVGSVTGVWHMY-SWLSCSKDSA-N 1 0 249.354 2.482 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@@H]1CCCO1 ZINC000130514095 411358776 /nfs/dbraw/zinc/35/87/76/411358776.db2.gz BPNVGSVTGVWHMY-DOMZBBRYSA-N 1 0 249.354 2.482 10 0 BEAERO C[C@H]1CCCN(c2ccc(Cl)cn2)[C@@H]1C[NH3+] ZINC000069727505 411359758 /nfs/dbraw/zinc/35/97/58/411359758.db2.gz HWKVIMQKGDLMJN-GXSJLCMTSA-N 1 0 239.750 2.299 10 0 BEAERO CC1(C)C[C@@](CC[NH3+])(c2ccccn2)CCO1 ZINC000097758099 167991009 /nfs/dbraw/zinc/99/10/09/167991009.db2.gz WCDLUVMLIKHZPR-AWEZNQCLSA-N 1 0 234.343 2.257 10 0 BEAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH+]1CCNCC1)C2 ZINC000039581740 168010855 /nfs/dbraw/zinc/01/08/55/168010855.db2.gz IICWXHFZZQZANF-OUCADQQQSA-N 1 0 222.376 2.106 10 0 BEAERO CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCC1 ZINC000308997343 168023272 /nfs/dbraw/zinc/02/32/72/168023272.db2.gz QDTGAMRMAIXZKT-GFCCVEGCSA-N 1 0 211.349 2.414 10 0 BEAERO CC1(CNC(=O)[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000236652212 168036409 /nfs/dbraw/zinc/03/64/09/168036409.db2.gz LKTRKTANFJUVRR-GFCCVEGCSA-N 1 0 238.375 2.215 10 0 BEAERO CC1(C[NH2+][C@@H]2CCOc3ccccc32)COC1 ZINC000079475267 168044966 /nfs/dbraw/zinc/04/49/66/168044966.db2.gz KJBIPXHLZFEBNR-GFCCVEGCSA-N 1 0 233.311 2.136 10 0 BEAERO CC1(C[C@@H]([NH3+])c2ccc(Cl)cc2)OCCO1 ZINC000041285766 168052258 /nfs/dbraw/zinc/05/22/58/168052258.db2.gz WYTFKKNBUWKGPS-LLVKDONJSA-N 1 0 241.718 2.493 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC1(C)CCCCC1 ZINC000077503799 168060204 /nfs/dbraw/zinc/06/02/04/168060204.db2.gz PVLHKQKHUIHETN-JTQLQIEISA-N 1 0 226.364 2.199 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000368053095 168130834 /nfs/dbraw/zinc/13/08/34/168130834.db2.gz BVIYJBGXLFOJBM-MFGQWXODSA-N 1 0 235.371 2.461 10 0 BEAERO CC1CC(C[NH3+])(c2ccc3c(c2)OCCO3)C1 ZINC000070527859 168139530 /nfs/dbraw/zinc/13/95/30/168139530.db2.gz BDFKDZDWICTXRZ-UHFFFAOYSA-N 1 0 233.311 2.084 10 0 BEAERO CC1CCC(C[N@@H+]2CCC[C@H](N)C2)CC1 ZINC000070585764 168152867 /nfs/dbraw/zinc/15/28/67/168152867.db2.gz BOWDMWLCZPVXCT-BPCQOVAHSA-N 1 0 210.365 2.236 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000659359113 411375273 /nfs/dbraw/zinc/37/52/73/411375273.db2.gz WMXMKRGJUZSRNY-YPMHNXCESA-N 1 0 238.375 2.023 10 0 BEAERO CC1CCC(C[NH2+]CCc2cn[nH]c2)CC1 ZINC000336777928 168154664 /nfs/dbraw/zinc/15/46/64/168154664.db2.gz JXJAZLXHBSPJAC-UHFFFAOYSA-N 1 0 221.348 2.368 10 0 BEAERO CC1CCC(CNC(=O)c2c[nH+]ccc2N)CC1 ZINC000127731916 168155309 /nfs/dbraw/zinc/15/53/09/168155309.db2.gz JBDBSFGKHUFZQN-UHFFFAOYSA-N 1 0 247.342 2.220 10 0 BEAERO CC1CCC(C[NH2+]CC(C)(C)OCCO)CC1 ZINC000310341914 168155560 /nfs/dbraw/zinc/15/55/60/168155560.db2.gz DAVIVNOKQXCTCR-UHFFFAOYSA-N 1 0 243.391 2.190 10 0 BEAERO CC1CCC(C[NH2+]CCCC(=O)N(C)C)CC1 ZINC000063145213 168155729 /nfs/dbraw/zinc/15/57/29/168155729.db2.gz HYOQZQQYODAEOB-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO CC1CCC(C[NH2+]CC(=O)N(C)C2CC2)CC1 ZINC000063145170 168155746 /nfs/dbraw/zinc/15/57/46/168155746.db2.gz HJGKHPJBGJQDFE-UHFFFAOYSA-N 1 0 238.375 2.023 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000336617119 168156052 /nfs/dbraw/zinc/15/60/52/168156052.db2.gz VOWFNZQPDJBPIX-WXRRBKDZSA-N 1 0 238.375 2.023 10 0 BEAERO CC1CCC(CO)([NH2+]Cc2ccc[nH]2)CC1 ZINC000053114060 168156589 /nfs/dbraw/zinc/15/65/89/168156589.db2.gz IOBGFBWVNDJXIT-UHFFFAOYSA-N 1 0 222.332 2.046 10 0 BEAERO CC1CCC(CO)([NH2+]C2CCCC2)CC1 ZINC000038122729 168156820 /nfs/dbraw/zinc/15/68/20/168156820.db2.gz UAWVQTFJUKDSBZ-UHFFFAOYSA-N 1 0 211.349 2.460 10 0 BEAERO CC1CCC(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055086449 168161551 /nfs/dbraw/zinc/16/15/51/168161551.db2.gz LPIXFMCJRYWHGT-FIYWTHMPSA-N 1 0 238.375 2.199 10 0 BEAERO CC1CCC(OC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000048633012 168166376 /nfs/dbraw/zinc/16/63/76/168166376.db2.gz KOBKJONQOGWJDF-CXQJBGSLSA-N 1 0 225.332 2.108 10 0 BEAERO CC1CCC(OC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062871058 168166453 /nfs/dbraw/zinc/16/64/53/168166453.db2.gz WFTUXZXHYKIXMT-YIZWMMSDSA-N 1 0 239.359 2.498 10 0 BEAERO CC1CCC(c2ncc(CC[NH3+])cn2)CC1 ZINC000054857368 168170082 /nfs/dbraw/zinc/17/00/82/168170082.db2.gz FVIJIENCBAZMEH-UHFFFAOYSA-N 1 0 219.332 2.272 10 0 BEAERO CC1CC[NH+](Cn2nnc3ccccc32)CC1 ZINC000002016786 168184503 /nfs/dbraw/zinc/18/45/03/168184503.db2.gz XVKUXOGKVYMCFD-UHFFFAOYSA-N 1 0 230.315 2.121 10 0 BEAERO CC1CC[NH+](Cc2ccc(O)c(N)c2)CC1 ZINC000037271957 168184944 /nfs/dbraw/zinc/18/49/44/168184944.db2.gz AZCNXHLURIPZGH-UHFFFAOYSA-N 1 0 220.316 2.206 10 0 BEAERO CC1CCN([C@H]2COc3ccccc3[C@H]2[NH3+])CC1 ZINC000019272116 168188128 /nfs/dbraw/zinc/18/81/28/168188128.db2.gz ODRLCXPWCDQCLZ-DZGCQCFKSA-N 1 0 246.354 2.179 10 0 BEAERO [NH3+]CCCCn1cc(-c2ccccc2)cn1 ZINC000054961017 411389804 /nfs/dbraw/zinc/38/98/04/411389804.db2.gz DZHARZKZFRJDEP-UHFFFAOYSA-N 1 0 215.300 2.289 10 0 BEAERO CCC(=O)Nc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040691 168245824 /nfs/dbraw/zinc/24/58/24/168245824.db2.gz OILUWJBJMZGXGO-UHFFFAOYSA-N 1 0 247.342 2.199 10 0 BEAERO CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000054402262 168266923 /nfs/dbraw/zinc/26/69/23/168266923.db2.gz KCVLKJXHWYAECM-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)CC[NH2+][C@@H](C(=O)NC)C(C)C ZINC000336782937 168276717 /nfs/dbraw/zinc/27/67/17/168276717.db2.gz ZBNDBDGHWUGTTJ-LLVKDONJSA-N 1 0 228.380 2.173 10 0 BEAERO CCC(C)(C)NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000112702789 168290007 /nfs/dbraw/zinc/29/00/07/168290007.db2.gz YAFAJQOWZIIDAX-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000049281719 168290690 /nfs/dbraw/zinc/29/06/90/168290690.db2.gz ZEGVBDAJYHGXNY-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)[NH2+]CCN(C)Cc1ccncc1 ZINC000053383869 168297965 /nfs/dbraw/zinc/29/79/65/168297965.db2.gz UMPLBRNMGUNULG-UHFFFAOYSA-N 1 0 235.375 2.292 10 0 BEAERO CCC(C)(CC)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227428194 168308286 /nfs/dbraw/zinc/30/82/86/168308286.db2.gz FXESETTUWKKYDD-GHMZBOCLSA-N 1 0 226.364 2.056 10 0 BEAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1cccs1 ZINC000069633622 411458211 /nfs/dbraw/zinc/45/82/11/411458211.db2.gz ZZPFWWNTDSOLTB-SECBINFHSA-N 1 0 240.372 2.443 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000659372363 411405531 /nfs/dbraw/zinc/40/55/31/411405531.db2.gz AHELVFINACBXIW-FDYHWXHSSA-N 1 0 238.375 2.151 10 0 BEAERO c1cnc2cc([C@@H]3COCCC[NH2+]3)ccc2c1 ZINC000616648966 411411524 /nfs/dbraw/zinc/41/15/24/411411524.db2.gz YRKFQMHECDOKHS-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccccc2CCO)C1 ZINC000616648132 411411646 /nfs/dbraw/zinc/41/16/46/411411646.db2.gz RHQRJBDSUZOERL-HNNXBMFYSA-N 1 0 249.354 2.003 10 0 BEAERO CC[N@H+](CCc1ccccc1N)C[C@H]1CCCO1 ZINC000052918483 169874836 /nfs/dbraw/zinc/87/48/36/169874836.db2.gz JWYSSTDRZGLVKY-CQSZACIVSA-N 1 0 248.370 2.312 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc(C2CCCC2)no1 ZINC000070999594 411428284 /nfs/dbraw/zinc/42/82/84/411428284.db2.gz DNORMTGIDFKHQA-JTQLQIEISA-N 1 0 223.320 2.253 10 0 BEAERO Cc1cc(C(C)C)nc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000122553760 411432587 /nfs/dbraw/zinc/43/25/87/411432587.db2.gz HPAMJKHSMHGKQH-GFCCVEGCSA-N 1 0 248.374 2.226 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000122582090 411432802 /nfs/dbraw/zinc/43/28/02/411432802.db2.gz DDHKIAONWRMOGX-NEPJUHHUSA-N 1 0 248.374 2.448 10 0 BEAERO CC[NH2+]CCCNc1nc(C)cc(C(C)C)n1 ZINC000122548951 411432887 /nfs/dbraw/zinc/43/28/87/411432887.db2.gz DAXMCXVNWDZNTI-UHFFFAOYSA-N 1 0 236.363 2.320 10 0 BEAERO Cc1cc(C(C)C)nc(N2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000122608900 411434680 /nfs/dbraw/zinc/43/46/80/411434680.db2.gz ZFFYPSWPFXVEBB-NWDGAFQWSA-N 1 0 248.374 2.082 10 0 BEAERO CC[C@H]1CN(c2nc(C)c(C)s2)CC[C@@H]1[NH3+] ZINC000123021536 411438031 /nfs/dbraw/zinc/43/80/31/411438031.db2.gz HAMGOPRYBYEVQQ-QWRGUYRKSA-N 1 0 239.388 2.324 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)CC1 ZINC000126487631 411439994 /nfs/dbraw/zinc/43/99/94/411439994.db2.gz BTGIOPAVELPKFX-CHWSQXEVSA-N 1 0 236.363 2.227 10 0 BEAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cccs1 ZINC000070618760 411441265 /nfs/dbraw/zinc/44/12/65/411441265.db2.gz HSUUAOIVERDKLW-BXKDBHETSA-N 1 0 238.356 2.067 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000406069811 411450782 /nfs/dbraw/zinc/45/07/82/411450782.db2.gz QVCWCLKBVHVKHN-JQWIXIFHSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(Cl)cn1 ZINC000658354218 411475127 /nfs/dbraw/zinc/47/51/27/411475127.db2.gz YBEMTTZVQCHRNT-SILCLGDVSA-N 1 0 240.734 2.157 10 0 BEAERO CCN(c1ccccc1)[C@H](C[NH3+])C(C)C ZINC000019261078 169943402 /nfs/dbraw/zinc/94/34/02/169943402.db2.gz FFVCCAWKJQNURY-CYBMUJFWSA-N 1 0 206.333 2.496 10 0 BEAERO CCN(c1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000050011920 169943991 /nfs/dbraw/zinc/94/39/91/169943991.db2.gz DELHQBMZLHFAAT-LLVKDONJSA-N 1 0 222.307 2.404 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657385594 411489112 /nfs/dbraw/zinc/48/91/12/411489112.db2.gz UPYPHWTYNSDWEY-CMPLNLGQSA-N 1 0 219.332 2.108 10 0 BEAERO OCC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659953988 411502225 /nfs/dbraw/zinc/50/22/25/411502225.db2.gz YYMWCCWRIPRJLM-ZDUSSCGKSA-N 1 0 211.349 2.271 10 0 BEAERO OCC1CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000658357954 411502236 /nfs/dbraw/zinc/50/22/36/411502236.db2.gz XWOYAXWDKLGSAC-KWCHVYNWSA-N 1 0 231.339 2.498 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657421934 411503079 /nfs/dbraw/zinc/50/30/79/411503079.db2.gz SBNPBENXTAYPBS-XCBNKYQSSA-N 1 0 245.244 2.371 10 0 BEAERO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](CCO)C1 ZINC000659953899 411509825 /nfs/dbraw/zinc/50/98/25/411509825.db2.gz XRQBJEYXLAMJIY-WDEREUQCSA-N 1 0 235.318 2.372 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CO1 ZINC000657455026 411516376 /nfs/dbraw/zinc/51/63/76/411516376.db2.gz FVBXITCJRQLVBK-MHDGFBEUSA-N 1 0 241.375 2.347 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000217742925 411529992 /nfs/dbraw/zinc/52/99/92/411529992.db2.gz WUPKADMPQJFLKB-BFHYXJOUSA-N 1 0 246.354 2.352 10 0 BEAERO CCN1CC[C@@H](C[NH2+]Cc2ccccc2)OC1=O ZINC000021987992 170008450 /nfs/dbraw/zinc/00/84/50/170008450.db2.gz WCEZIUVJQVCEAC-ZDUSSCGKSA-N 1 0 248.326 2.007 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2ccc(Cl)cn2)C1 ZINC000037484444 170008849 /nfs/dbraw/zinc/00/88/49/170008849.db2.gz QULGIOBQFQWZCL-JTQLQIEISA-N 1 0 239.750 2.489 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2ncccc2C)C1 ZINC000051040951 170009654 /nfs/dbraw/zinc/00/96/54/170009654.db2.gz UCNYRBQBCYXQSE-LBPRGKRZSA-N 1 0 219.332 2.144 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000328355345 170014583 /nfs/dbraw/zinc/01/45/83/170014583.db2.gz OTQWKQQFLALOQA-VXGBXAGGSA-N 1 0 222.332 2.333 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CO1 ZINC000657501027 411538563 /nfs/dbraw/zinc/53/85/63/411538563.db2.gz USOCSLPSVSTITQ-KIJLLGNVSA-N 1 0 209.333 2.332 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070298969 170019779 /nfs/dbraw/zinc/01/97/79/170019779.db2.gz XNDXBESKWCDSDL-JQWIXIFHSA-N 1 0 244.260 2.198 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328464203 170020718 /nfs/dbraw/zinc/02/07/18/170020718.db2.gz IOZYHDUGJQHWSX-STQMWFEESA-N 1 0 208.349 2.027 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000336895513 170020975 /nfs/dbraw/zinc/02/09/75/170020975.db2.gz MZAGRJRUZNNMFA-MCIONIFRSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000328221131 170021951 /nfs/dbraw/zinc/02/19/51/170021951.db2.gz YNAFHMLVFUQQTA-FQUUOJAGSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000336899007 170022505 /nfs/dbraw/zinc/02/25/05/170022505.db2.gz QXDSWSUQBDEYCF-XDQVBPFNSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000336899005 170022968 /nfs/dbraw/zinc/02/29/68/170022968.db2.gz QXDSWSUQBDEYCF-RFQIPJPRSA-N 1 0 224.392 2.495 10 0 BEAERO CC[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000328357058 170024427 /nfs/dbraw/zinc/02/44/27/170024427.db2.gz PENSNSMKNOTRSQ-ZDUSSCGKSA-N 1 0 239.746 2.339 10 0 BEAERO CC[NH+]1CCc2nc3ccccc3nc2CC1 ZINC000039102702 170024941 /nfs/dbraw/zinc/02/49/41/170024941.db2.gz DUGMAMPPGTVZQK-UHFFFAOYSA-N 1 0 227.311 2.050 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000309419806 170029331 /nfs/dbraw/zinc/02/93/31/170029331.db2.gz AKRMCUOWZKSCLU-YPMHNXCESA-N 1 0 242.432 2.059 10 0 BEAERO CCN1C[C@@H](C)[NH2+]C[C@@H]1c1cccs1 ZINC000083346380 170030716 /nfs/dbraw/zinc/03/07/16/170030716.db2.gz FZGMRMMTWOPYJU-NXEZZACHSA-N 1 0 210.346 2.103 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]C2CCCCC2)C1 ZINC000309055320 170031138 /nfs/dbraw/zinc/03/11/38/170031138.db2.gz UDIUNUBOGFKDCE-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779494 170031779 /nfs/dbraw/zinc/03/17/79/170031779.db2.gz OMEJVAWPHZYCAS-CHWSQXEVSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC000306333733 170031826 /nfs/dbraw/zinc/03/18/26/170031826.db2.gz DWPFYBUIICESKD-TZMCWYRMSA-N 1 0 218.344 2.116 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC000309040220 170032009 /nfs/dbraw/zinc/03/20/09/170032009.db2.gz KRHCOTPRDBZNCR-CHWSQXEVSA-N 1 0 212.381 2.352 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000309959775 170038680 /nfs/dbraw/zinc/03/86/80/170038680.db2.gz KKYDHBHGWKIHKH-SGMGOOAPSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779088 170039128 /nfs/dbraw/zinc/03/91/28/170039128.db2.gz NDVODXDNOMWVNU-GXFFZTMASA-N 1 0 238.400 2.486 10 0 BEAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000135716896 170053143 /nfs/dbraw/zinc/05/31/43/170053143.db2.gz SOSFCFHMODYLAD-ZDUSSCGKSA-N 1 0 248.370 2.480 10 0 BEAERO CCNC(=O)CC[C@H](C[NH3+])c1cc(C)ccc1C ZINC000076634658 170053695 /nfs/dbraw/zinc/05/36/95/170053695.db2.gz KDHMACAAJPEZCX-CYBMUJFWSA-N 1 0 248.370 2.262 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000035138675 170064123 /nfs/dbraw/zinc/06/41/23/170064123.db2.gz LAAVRPCSNWWNMD-VIFPVBQESA-N 1 0 240.734 2.127 10 0 BEAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000035138690 170065558 /nfs/dbraw/zinc/06/55/58/170065558.db2.gz CLOAAXHBQQXTCK-LLVKDONJSA-N 1 0 234.343 2.036 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000061288890 170107182 /nfs/dbraw/zinc/10/71/82/170107182.db2.gz OIUNXRIIPJWFMC-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]C(c1cccnc1)c1cccnc1 ZINC000037761926 170107611 /nfs/dbraw/zinc/10/76/11/170107611.db2.gz AGPUJFLRCHJGIM-UHFFFAOYSA-N 1 0 213.284 2.176 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000061299145 170107963 /nfs/dbraw/zinc/10/79/63/170107963.db2.gz YYOFHAJTYQAPEJ-RYUDHWBXSA-N 1 0 240.391 2.317 10 0 BEAERO CC[NH2+]C1CCN(Cc2nc(C)cs2)CC1 ZINC000049533925 170108085 /nfs/dbraw/zinc/10/80/85/170108085.db2.gz UCVOQHOHZVSKDQ-UHFFFAOYSA-N 1 0 239.388 2.025 10 0 BEAERO CC[NH2+]C1CCN(CCOC2CCCC2)CC1 ZINC000104436787 170108612 /nfs/dbraw/zinc/10/86/12/170108612.db2.gz HIEVUGLMXMCALP-UHFFFAOYSA-N 1 0 240.391 2.020 10 0 BEAERO CC[NH2+]CC(=O)c1ccc(OCC)c(C)c1 ZINC000071523209 170110350 /nfs/dbraw/zinc/11/03/50/170110350.db2.gz YSCKTLZUKJKBIB-UHFFFAOYSA-N 1 0 221.300 2.186 10 0 BEAERO CC[NH2+]CC(C)(C)CN(C)Cc1cccnc1 ZINC000051217648 170111348 /nfs/dbraw/zinc/11/13/48/170111348.db2.gz YJKMSOLNUJPUEI-UHFFFAOYSA-N 1 0 235.375 2.149 10 0 BEAERO CC[NH2+]CCCNc1cnc2ccccc2n1 ZINC000052017820 170112531 /nfs/dbraw/zinc/11/25/31/170112531.db2.gz OZMBHPOFARHOTA-UHFFFAOYSA-N 1 0 230.315 2.041 10 0 BEAERO CC[NH2+]CCCNc1nnc(C)c2ccccc21 ZINC000038043420 170112626 /nfs/dbraw/zinc/11/26/26/170112626.db2.gz IHFRCQNGBGDCCD-UHFFFAOYSA-N 1 0 244.342 2.350 10 0 BEAERO CC[NH2+]CCCOc1cccc(OC)c1 ZINC000020525145 170112994 /nfs/dbraw/zinc/11/29/94/170112994.db2.gz FOLJXZOBVZBHCW-UHFFFAOYSA-N 1 0 209.289 2.074 10 0 BEAERO CC[NH2+]CCCOc1cccc(N(C)C)c1 ZINC000032026899 170113054 /nfs/dbraw/zinc/11/30/54/170113054.db2.gz KDIADIOAWGWMEE-UHFFFAOYSA-N 1 0 222.332 2.131 10 0 BEAERO CC[NH2+]CC[C@H](O)c1ccc(OC)c(C)c1 ZINC000049819427 170117347 /nfs/dbraw/zinc/11/73/47/170117347.db2.gz KDVRWSSHJOPMDG-LBPRGKRZSA-N 1 0 223.316 2.037 10 0 BEAERO CC[NH2+]CCc1c(C)nc(C(C)C)nc1C ZINC000054838215 170117575 /nfs/dbraw/zinc/11/75/75/170117575.db2.gz FDKILSZTCDIOFP-UHFFFAOYSA-N 1 0 221.348 2.369 10 0 BEAERO CC[NH2+]CCn1cnc2cc(C)c(C)cc21 ZINC000042410079 170118158 /nfs/dbraw/zinc/11/81/58/170118158.db2.gz SKSSEKGLIMLIPB-UHFFFAOYSA-N 1 0 217.316 2.263 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000061230344 170118749 /nfs/dbraw/zinc/11/87/49/170118749.db2.gz WPUXFRVPFAFPFN-BXUZGUMPSA-N 1 0 246.354 2.036 10 0 BEAERO CC[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000033466162 170119257 /nfs/dbraw/zinc/11/92/57/170119257.db2.gz WWDGZIHOOWZWDZ-GFCCVEGCSA-N 1 0 237.343 2.159 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000061234546 170119457 /nfs/dbraw/zinc/11/94/57/170119457.db2.gz YGWXEYJMYGFVMD-CHWSQXEVSA-N 1 0 248.370 2.418 10 0 BEAERO CC[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000032013225 170119692 /nfs/dbraw/zinc/11/96/92/170119692.db2.gz CVCPLRLYQWIWHI-SECBINFHSA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+]C[C@@H](OCCOC)c1ccccc1C ZINC000050495757 170120148 /nfs/dbraw/zinc/12/01/48/170120148.db2.gz SQLXDZYMTWNFRA-CQSZACIVSA-N 1 0 237.343 2.309 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)c(OC)c1 ZINC000054590418 170120978 /nfs/dbraw/zinc/12/09/78/170120978.db2.gz SJEYCCXWIJDCES-RYUDHWBXSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@@](O)(CC)c1ccc(CC)cc1 ZINC000032014067 170121090 /nfs/dbraw/zinc/12/10/90/170121090.db2.gz WBYFHVZLUOMXST-AWEZNQCLSA-N 1 0 221.344 2.456 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000055032790 170121299 /nfs/dbraw/zinc/12/12/99/170121299.db2.gz QQAAVHITQHCVNF-LLVKDONJSA-N 1 0 213.708 2.157 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000054590570 170121364 /nfs/dbraw/zinc/12/13/64/170121364.db2.gz KBACXFDWWKANJA-AAEUAGOBSA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1CC ZINC000061228056 170121524 /nfs/dbraw/zinc/12/15/24/170121524.db2.gz AFFIZPUFRZDNLA-NSHDSACASA-N 1 0 234.343 2.433 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000061227760 170122252 /nfs/dbraw/zinc/12/22/52/170122252.db2.gz BQCLQRZKZFCKBX-NWDGAFQWSA-N 1 0 246.354 2.210 10 0 BEAERO CC[NH2+]C[C@H]1CCCN1c1ccc(Cl)cn1 ZINC000053696458 170122367 /nfs/dbraw/zinc/12/23/67/170122367.db2.gz XSGIWWGTUHJJBZ-LLVKDONJSA-N 1 0 239.750 2.313 10 0 BEAERO CC[NH2+]C[C@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC000053011092 170122781 /nfs/dbraw/zinc/12/27/81/170122781.db2.gz HFDCPUFMMNYHQQ-CQSZACIVSA-N 1 0 248.370 2.127 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000054590807 170123413 /nfs/dbraw/zinc/12/34/13/170123413.db2.gz VOQBCYRCVDAJMH-VXGBXAGGSA-N 1 0 233.311 2.171 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000055032813 170123465 /nfs/dbraw/zinc/12/34/65/170123465.db2.gz ZQVQQDORSOWGOX-NSHDSACASA-N 1 0 213.708 2.157 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000053012316 170123510 /nfs/dbraw/zinc/12/35/10/170123510.db2.gz RIZIKKLCVUVCKV-LLVKDONJSA-N 1 0 222.307 2.262 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(OC)cc1 ZINC000054590669 170123593 /nfs/dbraw/zinc/12/35/93/170123593.db2.gz RCMBTSIYOUUEMW-YPMHNXCESA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2ccccc2OC)C1 ZINC000053010436 170123673 /nfs/dbraw/zinc/12/36/73/170123673.db2.gz GUECSIWZOVSAEH-GFCCVEGCSA-N 1 0 234.343 2.131 10 0 BEAERO CC[NH2+]C[C@](C)(CC)CN1CCO[C@@H](CC)C1 ZINC000051217133 170123810 /nfs/dbraw/zinc/12/38/10/170123810.db2.gz RGORDFJFGKNORC-KBPBESRZSA-N 1 0 242.407 2.123 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2ccc(COC)cc2)C1 ZINC000076532491 170123843 /nfs/dbraw/zinc/12/38/43/170123843.db2.gz PLAKZNKOADHDFJ-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2ccc(C)cc2)C1 ZINC000053012918 170123870 /nfs/dbraw/zinc/12/38/70/170123870.db2.gz QNHRKVFXCYRECA-CYBMUJFWSA-N 1 0 218.344 2.431 10 0 BEAERO CC[NH2+]Cc1cc(OC)c(CC)cc1OC ZINC000096890019 170125858 /nfs/dbraw/zinc/12/58/58/170125858.db2.gz OGHUSEVJDOKOTQ-UHFFFAOYSA-N 1 0 223.316 2.376 10 0 BEAERO CC[NH2+]Cc1ccc(-n2nc(C)nc2C)c(C)c1 ZINC000050562519 170126140 /nfs/dbraw/zinc/12/61/40/170126140.db2.gz NCRANUBGFIXTAI-UHFFFAOYSA-N 1 0 244.342 2.302 10 0 BEAERO CC[NH2+]Cc1ccc(N2CC[C@@H](C)C2)nc1 ZINC000051448451 170127233 /nfs/dbraw/zinc/12/72/33/170127233.db2.gz BCDJDVOFULIFEO-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1ccccc1-n1cc(C)cn1 ZINC000037677822 170128712 /nfs/dbraw/zinc/12/87/12/170128712.db2.gz ZHDXUROUZPLOMC-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1ccnc(N2CCC[C@@H]2C)c1 ZINC000051398798 170128855 /nfs/dbraw/zinc/12/88/55/170128855.db2.gz KCFHODRVRJDLLC-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1cccnc1N(C)[C@H](C)C1CC1 ZINC000051445408 170128864 /nfs/dbraw/zinc/12/88/64/170128864.db2.gz ICCDOSXOEXBUIS-LLVKDONJSA-N 1 0 233.359 2.426 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc[nH]1 ZINC000036281697 170128875 /nfs/dbraw/zinc/12/88/75/170128875.db2.gz MSVUGSBGSBDJTE-UHFFFAOYSA-N 1 0 243.310 2.377 10 0 BEAERO CC[NH2+]Cc1cnn(C2CCCC2)c1C ZINC000042355973 170129847 /nfs/dbraw/zinc/12/98/47/170129847.db2.gz UZTPDCIVTSXUIL-UHFFFAOYSA-N 1 0 207.321 2.416 10 0 BEAERO CC[NH2+]Cc1csc(Br)n1 ZINC000095091532 170130044 /nfs/dbraw/zinc/13/00/44/170130044.db2.gz AFHPMRGYLGFCQZ-UHFFFAOYSA-N 1 0 221.123 2.015 10 0 BEAERO CC[NH2+]Cc1cnc(-n2ccnc2)c(Cl)c1 ZINC000051489933 170130078 /nfs/dbraw/zinc/13/00/78/170130078.db2.gz JLBRQBXKBXJREE-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1cnn(-c2cccc(F)c2)c1 ZINC000049668146 170130144 /nfs/dbraw/zinc/13/01/44/170130144.db2.gz VNAMSUWRBKDVJS-UHFFFAOYSA-N 1 0 219.263 2.121 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1C ZINC000062986683 170130179 /nfs/dbraw/zinc/13/01/79/170130179.db2.gz SWTDWURVSRHXTM-UHFFFAOYSA-N 1 0 245.326 2.299 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccccc2)c1C ZINC000042355325 170130422 /nfs/dbraw/zinc/13/04/22/170130422.db2.gz HKFHQLPINNUTLW-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1cnn(-c2cccc(F)c2)c1C ZINC000042356148 170130483 /nfs/dbraw/zinc/13/04/83/170130483.db2.gz IQCWXUBNJZLZJN-UHFFFAOYSA-N 1 0 233.290 2.429 10 0 BEAERO CC[NH2+]Cc1nc(-n2cccn2)ccc1Cl ZINC000051489103 170131506 /nfs/dbraw/zinc/13/15/06/170131506.db2.gz MVAXLFHZFAWODT-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)c1cc(CC)ccc1OC ZINC000071545976 170138154 /nfs/dbraw/zinc/13/81/54/170138154.db2.gz XNILSUZXYLMOLY-JTQLQIEISA-N 1 0 235.327 2.438 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000061270455 170138781 /nfs/dbraw/zinc/13/87/81/170138781.db2.gz SYCGASHIBNADFE-GXSJLCMTSA-N 1 0 238.331 2.153 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N1CCC(C)(C)CC1 ZINC000061820985 170139540 /nfs/dbraw/zinc/13/95/40/170139540.db2.gz WFSYPELGAKVCSN-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H](C)N1Cc2ccccc2C1 ZINC000050911089 170139891 /nfs/dbraw/zinc/13/98/91/170139891.db2.gz HTEGOLLULDCVMC-NWDGAFQWSA-N 1 0 218.344 2.389 10 0 BEAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(OCC)c(F)c1 ZINC000071550633 170140838 /nfs/dbraw/zinc/14/08/38/170140838.db2.gz KLWCUENBXNWZOJ-ZANVPECISA-N 1 0 241.306 2.256 10 0 BEAERO CC[NH2+][C@@H](C)[C@H](C)N1Cc2ccccc2C1 ZINC000050911091 170140929 /nfs/dbraw/zinc/14/09/29/170140929.db2.gz HTEGOLLULDCVMC-RYUDHWBXSA-N 1 0 218.344 2.389 10 0 BEAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(OCC)c(C)c1 ZINC000071548292 170141239 /nfs/dbraw/zinc/14/12/39/170141239.db2.gz BMABRODWIYITKI-FZMZJTMJSA-N 1 0 237.343 2.425 10 0 BEAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCCCO ZINC000062746734 170141819 /nfs/dbraw/zinc/14/18/19/170141819.db2.gz LGFQTGBCRHCMMX-JTQLQIEISA-N 1 0 241.306 2.257 10 0 BEAERO CC[NH2+][C@@H](C)c1ccccc1NC(C)=O ZINC000035643499 170142250 /nfs/dbraw/zinc/14/22/50/170142250.db2.gz RKZJFDAFARGMPO-VIFPVBQESA-N 1 0 206.289 2.316 10 0 BEAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)NC)c1 ZINC000041708895 170142307 /nfs/dbraw/zinc/14/23/07/170142307.db2.gz BVQXXZVBWLXBFB-VIFPVBQESA-N 1 0 221.304 2.108 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc([C@@H]2CCOC2)s1 ZINC000054160282 170142626 /nfs/dbraw/zinc/14/26/26/170142626.db2.gz JDLMJPCCHKUQMK-DTWKUNHWSA-N 1 0 226.345 2.318 10 0 BEAERO CC[NH2+][C@@H](C)c1nnc(-c2ncccc2C)o1 ZINC000051813812 170143332 /nfs/dbraw/zinc/14/33/32/170143332.db2.gz CEGRZEPHIAPVQZ-VIFPVBQESA-N 1 0 232.287 2.111 10 0 BEAERO CC[NH2+][C@@H](C)c1nc2cc(F)ccc2[nH]1 ZINC000062366133 170143371 /nfs/dbraw/zinc/14/33/71/170143371.db2.gz NPULCHLQNBNVNR-ZETCQYMHSA-N 1 0 207.252 2.373 10 0 BEAERO CC[NH2+][C@@H](CC)C(=O)c1ccc(OC)cc1 ZINC000071523043 170144272 /nfs/dbraw/zinc/14/42/72/170144272.db2.gz SZBBAOZTUVSHKF-LBPRGKRZSA-N 1 0 221.300 2.266 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc2ccccc2c1 ZINC000038120312 170144657 /nfs/dbraw/zinc/14/46/57/170144657.db2.gz OWQCYRXWOKMCME-AWEZNQCLSA-N 1 0 215.296 2.483 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc(OC(C)C)c(F)c1 ZINC000071550655 170144693 /nfs/dbraw/zinc/14/46/93/170144693.db2.gz IHAUZVKNOMGOTI-LBPRGKRZSA-N 1 0 241.306 2.256 10 0 BEAERO CC[NH2+][C@@H](Cc1ccccc1)c1cnn(C)c1 ZINC000035556201 170145931 /nfs/dbraw/zinc/14/59/31/170145931.db2.gz ARRXIWJFRGROLX-AWEZNQCLSA-N 1 0 229.327 2.313 10 0 BEAERO CC[NH2+][C@@H](c1ccc(C)cc1C)[C@H]1COCCO1 ZINC000055299979 170147191 /nfs/dbraw/zinc/14/71/91/170147191.db2.gz RKICHPIMUIPRSE-CABCVRRESA-N 1 0 249.354 2.369 10 0 BEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@H]1COCCO1 ZINC000055299918 170147362 /nfs/dbraw/zinc/14/73/62/170147362.db2.gz BQQSAMNZRBMDAC-KGLIPLIRSA-N 1 0 235.327 2.061 10 0 BEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1C[C@@H]1C ZINC000035550133 170148129 /nfs/dbraw/zinc/14/81/29/170148129.db2.gz RHBXGMPDUQBKOB-UAKXVISKSA-N 1 0 244.338 2.488 10 0 BEAERO CC[NH2+][C@H](c1cnn(C)c1)c1cccc(C)c1 ZINC000035556002 170148501 /nfs/dbraw/zinc/14/85/01/170148501.db2.gz OMXKAQKWFGCVIY-AWEZNQCLSA-N 1 0 229.327 2.427 10 0 BEAERO CC[NH2+][C@@H](c1ccco1)[C@H]1CCCOC1 ZINC000062234555 170148782 /nfs/dbraw/zinc/14/87/82/170148782.db2.gz UGRFARVEKRSUDG-CMPLNLGQSA-N 1 0 209.289 2.357 10 0 BEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1C[C@@H]1C ZINC000035556741 170148804 /nfs/dbraw/zinc/14/88/04/170148804.db2.gz NFPAAYZPFUFCBH-FWDPORAESA-N 1 0 246.310 2.428 10 0 BEAERO CC[NH2+][C@@H](c1cccc(F)c1)c1cnccn1 ZINC000037536046 170148856 /nfs/dbraw/zinc/14/88/56/170148856.db2.gz BJKWHTAVASWJBZ-ZDUSSCGKSA-N 1 0 231.274 2.315 10 0 BEAERO CC[NH2+][C@@H](c1nc(C)cs1)[C@@H]1CCOC1 ZINC000041061044 170149223 /nfs/dbraw/zinc/14/92/23/170149223.db2.gz KYJIKLBERHWDNE-NXEZZACHSA-N 1 0 226.345 2.139 10 0 BEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1C ZINC000035556096 170149414 /nfs/dbraw/zinc/14/94/14/170149414.db2.gz AVIHWPXCJIZNQI-AWEZNQCLSA-N 1 0 229.327 2.427 10 0 BEAERO CC[NH2+][C@@H](c1cnn(C)c1)C1CCCC1 ZINC000035556099 170149450 /nfs/dbraw/zinc/14/94/50/170149450.db2.gz WSKYXNVKFQGFBI-GFCCVEGCSA-N 1 0 207.321 2.261 10 0 BEAERO CC[NH2+][C@@H]1CCCOc2cc3c(cc21)OCO3 ZINC000035654439 170150319 /nfs/dbraw/zinc/15/03/19/170150319.db2.gz BHGVORYERMPAIL-SNVBAGLBSA-N 1 0 235.283 2.239 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@@H]1CN(C)Cc1cccnc1 ZINC000053867308 170150392 /nfs/dbraw/zinc/15/03/92/170150392.db2.gz BGFJEXBXUSHEMG-HUUCEWRRSA-N 1 0 247.386 2.292 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N(CC)CCOCC ZINC000104186833 170150487 /nfs/dbraw/zinc/15/04/87/170150487.db2.gz LHNZEZRVQBDBII-KGLIPLIRSA-N 1 0 242.407 2.266 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@@H]1N1CCCCCC1 ZINC000043812169 170150603 /nfs/dbraw/zinc/15/06/03/170150603.db2.gz OKOOQYQBGZMTOQ-OLZOCXBDSA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccccn2)[C@H](C)C1 ZINC000049712261 170151214 /nfs/dbraw/zinc/15/12/14/170151214.db2.gz USPCBTCCTHASNJ-CHWSQXEVSA-N 1 0 233.359 2.044 10 0 BEAERO CC[NH2+][C@@H]1CCN(CC2CCCCC2)C1 ZINC000037259759 170151460 /nfs/dbraw/zinc/15/14/60/170151460.db2.gz QAUIIZBIXPZVFO-CYBMUJFWSA-N 1 0 210.365 2.251 10 0 BEAERO CC[NH2+][C@@H]1CCN(C2(C)CCCCC2)C1 ZINC000045046008 170151810 /nfs/dbraw/zinc/15/18/10/170151810.db2.gz UBKANEHWEZUFIB-GFCCVEGCSA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@@H]1CCCc2nc(CSC)ncc21 ZINC000054497124 170152100 /nfs/dbraw/zinc/15/21/00/170152100.db2.gz ZPEHULBMEYMIFV-SNVBAGLBSA-N 1 0 237.372 2.327 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(C)c(F)c2)C1 ZINC000037241556 170152489 /nfs/dbraw/zinc/15/24/89/170152489.db2.gz UINWJHOGPRAWCB-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(F)c2)C1 ZINC000037240149 170152583 /nfs/dbraw/zinc/15/25/83/170152583.db2.gz GBTOUIUCSUIJJQ-LLVKDONJSA-N 1 0 208.280 2.014 10 0 BEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Cc1cccc(F)c1 ZINC000095091503 170153031 /nfs/dbraw/zinc/15/30/31/170153031.db2.gz QAUXKHASNAOBNA-GXTWGEPZSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc3c(c2)CCC3)C1 ZINC000037240856 170153090 /nfs/dbraw/zinc/15/30/90/170153090.db2.gz PMKUUJYDGKBWTN-CQSZACIVSA-N 1 0 230.355 2.364 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(F)c(C)c2)C1 ZINC000061118394 170153133 /nfs/dbraw/zinc/15/31/33/170153133.db2.gz NZUAPIPHSCLHRC-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(F)cc(F)c2)C1 ZINC000037241982 170153274 /nfs/dbraw/zinc/15/32/74/170153274.db2.gz RLGPFXRIRKKMOK-LLVKDONJSA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@@H]1CCc2c(O)cccc2[C@@H]1C ZINC000027712755 170153518 /nfs/dbraw/zinc/15/35/18/170153518.db2.gz QYSRVBJBCIBCQP-JOYOIKCWSA-N 1 0 205.301 2.420 10 0 BEAERO CC[NH2+][C@@]1(c2nc(C)cs2)CCSC1 ZINC000041061032 170155702 /nfs/dbraw/zinc/15/57/02/170155702.db2.gz JAALOOZXHDXDIB-JTQLQIEISA-N 1 0 228.386 2.393 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2ccccc2o1 ZINC000061213179 170158324 /nfs/dbraw/zinc/15/83/24/170158324.db2.gz NDTJHCLLZSAITK-SECBINFHSA-N 1 0 204.273 2.368 10 0 BEAERO CC[NH2+][C@H](C)[C@@H](C)N1Cc2ccccc2C1 ZINC000050911090 170158585 /nfs/dbraw/zinc/15/85/85/170158585.db2.gz HTEGOLLULDCVMC-VXGBXAGGSA-N 1 0 218.344 2.389 10 0 BEAERO CC[NH2+][C@H](CC)C(=O)c1ccccc1OC ZINC000071523113 170160900 /nfs/dbraw/zinc/16/09/00/170160900.db2.gz VXTCJBRVZUORLR-LLVKDONJSA-N 1 0 221.300 2.266 10 0 BEAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1cncc(F)c1 ZINC000049576348 170162720 /nfs/dbraw/zinc/16/27/20/170162720.db2.gz YRBDTSWDKNQQBW-CHWSQXEVSA-N 1 0 238.306 2.440 10 0 BEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000035545800 170164228 /nfs/dbraw/zinc/16/42/28/170164228.db2.gz LMVBCFISWWYWRF-LBPRGKRZSA-N 1 0 233.315 2.163 10 0 BEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CCC1 ZINC000035545928 170164254 /nfs/dbraw/zinc/16/42/54/170164254.db2.gz ROMOSSSAZRJKJV-ZDUSSCGKSA-N 1 0 245.326 2.307 10 0 BEAERO CC[NH2+][C@H](c1cnccn1)c1ccccc1C ZINC000037536052 170165178 /nfs/dbraw/zinc/16/51/78/170165178.db2.gz MGVVGJBRGCLVGX-AWEZNQCLSA-N 1 0 227.311 2.484 10 0 BEAERO CC[NH2+][C@H](c1nc(C)c(C)s1)[C@H]1CCOC1 ZINC000041061111 170165399 /nfs/dbraw/zinc/16/53/99/170165399.db2.gz NWGPQXKLACXNMF-QWRGUYRKSA-N 1 0 240.372 2.447 10 0 BEAERO CC[NH2+][C@H]1CCCCCC[C@@H]1C(=O)OC ZINC000309034327 170165931 /nfs/dbraw/zinc/16/59/31/170165931.db2.gz HCIIUKDCKYAEIG-QWRGUYRKSA-N 1 0 213.321 2.108 10 0 BEAERO CC[NH2+][C@H]1CCCCC[C@@H]1n1ccnc1 ZINC000043992901 170166269 /nfs/dbraw/zinc/16/62/69/170166269.db2.gz WNIQRWVHPINLPW-RYUDHWBXSA-N 1 0 207.321 2.366 10 0 BEAERO CC[NH2+][C@H]1CCC[C@H]1N1CCC(C)CC1 ZINC000043806638 170166641 /nfs/dbraw/zinc/16/66/41/170166641.db2.gz DVXOIIILVFUBOK-QWHCGFSZSA-N 1 0 210.365 2.249 10 0 BEAERO CC[NH2+][C@H]1CCC[C@H]1n1nc(C)cc1C ZINC000043994970 170167335 /nfs/dbraw/zinc/16/73/35/170167335.db2.gz PANRRIMJYOVGNM-NWDGAFQWSA-N 1 0 207.321 2.203 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000048266202 170167626 /nfs/dbraw/zinc/16/76/26/170167626.db2.gz SSFXMLYAQCZWES-AWEZNQCLSA-N 1 0 218.344 2.179 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccco2)[C@H](C)C1 ZINC000049708519 170168323 /nfs/dbraw/zinc/16/83/23/170168323.db2.gz KFPHSRYQWOJOGK-NEPJUHHUSA-N 1 0 222.332 2.242 10 0 BEAERO CC[NH2+][C@H]1CC[S@@](=O)c2cc(C)c(C)cc21 ZINC000040975102 170168814 /nfs/dbraw/zinc/16/88/14/170168814.db2.gz VDBKWOHFGIGVGE-LRDDRELGSA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(OC)cc1 ZINC000095091496 170169012 /nfs/dbraw/zinc/16/90/12/170169012.db2.gz UBZFEJXTFFPIFM-ZFWWWQNUSA-N 1 0 249.354 2.252 10 0 BEAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000043816137 170169357 /nfs/dbraw/zinc/16/93/57/170169357.db2.gz PQEVZUNPHAJIJC-KGLIPLIRSA-N 1 0 218.344 2.214 10 0 BEAERO CC[NH2+][C@](CC(C)C)(C(N)=O)c1ccccc1 ZINC000037447544 170170641 /nfs/dbraw/zinc/17/06/41/170170641.db2.gz BCMQVBQHCIQOSV-AWEZNQCLSA-N 1 0 234.343 2.023 10 0 BEAERO CCNc1cc(C[NH+]2CCCCC2)ccn1 ZINC000052716881 170172449 /nfs/dbraw/zinc/17/24/49/170172449.db2.gz NYJRDMIFYLJOSL-UHFFFAOYSA-N 1 0 219.332 2.499 10 0 BEAERO CCOC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404670 170206506 /nfs/dbraw/zinc/20/65/06/170206506.db2.gz FFQLBHBEAMGXJS-LLVKDONJSA-N 1 0 237.299 2.370 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccc(F)c(C)c1 ZINC000049957211 170209155 /nfs/dbraw/zinc/20/91/55/170209155.db2.gz QEMUAWOLFAISGN-UHFFFAOYSA-N 1 0 239.290 2.177 10 0 BEAERO CCOC(=O)CC[NH2+][C@@H](C)Cc1ccccc1 ZINC000006594806 170210173 /nfs/dbraw/zinc/21/01/73/170210173.db2.gz YDLSPUZJZJYTCB-LBPRGKRZSA-N 1 0 235.327 2.160 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCCC3(CC3)C2)C1 ZINC000660304676 411566837 /nfs/dbraw/zinc/56/68/37/411566837.db2.gz GUUZZVCUCAKIGH-CHWSQXEVSA-N 1 0 223.360 2.414 10 0 BEAERO CCOC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114564112 170220796 /nfs/dbraw/zinc/22/07/96/170220796.db2.gz HMWDNHPLNUBDLI-CQSZACIVSA-N 1 0 237.343 2.372 10 0 BEAERO Cc1c(C[NH2+]CCCOC(C)(C)C)cnn1C ZINC000657637234 411567649 /nfs/dbraw/zinc/56/76/49/411567649.db2.gz DQRPYUYMNFXOPK-UHFFFAOYSA-N 1 0 239.363 2.023 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C/C=C/CO)CC(C)(C)C1 ZINC000657592188 411556442 /nfs/dbraw/zinc/55/64/42/411556442.db2.gz FGGPLJSCFKMCSY-RVAOTSRCSA-N 1 0 211.349 2.339 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1cc(C)cc(C)c1 ZINC000003678320 170233655 /nfs/dbraw/zinc/23/36/55/170233655.db2.gz HLCCNLBRPAQXEI-LBPRGKRZSA-N 1 0 221.300 2.256 10 0 BEAERO CCOC(=O)N(CC[NH3+])[C@H](C)c1ccccc1 ZINC000253565812 170238317 /nfs/dbraw/zinc/23/83/17/170238317.db2.gz IEOLJATUUYILMD-LLVKDONJSA-N 1 0 236.315 2.165 10 0 BEAERO O[C@H]1CCC[C@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000660252736 411560199 /nfs/dbraw/zinc/56/01/99/411560199.db2.gz DJCJWOZIHMXLAF-JQWIXIFHSA-N 1 0 209.333 2.070 10 0 BEAERO CCOC(=O)[C@H](C)[N@@H+]1CCCCC[C@H]1C ZINC000250668890 170266415 /nfs/dbraw/zinc/26/64/15/170266415.db2.gz KGURDCFEXZQRQY-MNOVXSKESA-N 1 0 213.321 2.203 10 0 BEAERO CCOC(=O)[C@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000049954623 170269076 /nfs/dbraw/zinc/26/90/76/170269076.db2.gz LKPQOJJLNFDTNM-ZJUUUORDSA-N 1 0 237.299 2.037 10 0 BEAERO CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1[NH3+] ZINC000032154111 170286317 /nfs/dbraw/zinc/28/63/17/170286317.db2.gz BTKAMSWFNMGLGM-HIFRSBDPSA-N 1 0 245.322 2.165 10 0 BEAERO CCOCCC[N@@H+]1C[C@H](C(C)C)NC[C@H]1CC ZINC000083370826 170375481 /nfs/dbraw/zinc/37/54/81/170375481.db2.gz YXFLQDRAPSEXOJ-ZIAGYGMSSA-N 1 0 242.407 2.121 10 0 BEAERO CCOCCC[NH2+]C[C@@H](C)N1CCC[C@H](C)C1 ZINC000053486431 170380446 /nfs/dbraw/zinc/38/04/46/170380446.db2.gz UUSZFDHLULEZEJ-UONOGXRCSA-N 1 0 242.407 2.123 10 0 BEAERO CCOCCC[NH2+]C[C@H](C)OCc1ccco1 ZINC000053549835 170380592 /nfs/dbraw/zinc/38/05/92/170380592.db2.gz FKKIEFRUZAGAJL-LBPRGKRZSA-N 1 0 241.331 2.201 10 0 BEAERO CCOCCC[NH2+]C[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000035014731 170380663 /nfs/dbraw/zinc/38/06/63/170380663.db2.gz AUDJCRXUUJDOST-FRRDWIJNSA-N 1 0 209.333 2.215 10 0 BEAERO CCOCCC[NH2+]CCN(C)[C@H](C)C(C)(C)C ZINC000053391048 170381026 /nfs/dbraw/zinc/38/10/26/170381026.db2.gz AMZRHOHRQUELBD-CYBMUJFWSA-N 1 0 244.423 2.369 10 0 BEAERO CCOCCC[NH2+][C@H](C)CC(C)(C)OC ZINC000020524452 170382732 /nfs/dbraw/zinc/38/27/32/170382732.db2.gz IAYFXKOZZHEKNR-LLVKDONJSA-N 1 0 217.353 2.206 10 0 BEAERO CCOCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308574692 170413609 /nfs/dbraw/zinc/41/36/09/170413609.db2.gz DAUCTPKBEUIXEX-WDEREUQCSA-N 1 0 203.301 2.141 10 0 BEAERO CCOCCO[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043039069 170422581 /nfs/dbraw/zinc/42/25/81/170422581.db2.gz VPDTZZZTLCUZPH-OCCSQVGLSA-N 1 0 237.343 2.436 10 0 BEAERO C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000130187119 411578739 /nfs/dbraw/zinc/57/87/39/411578739.db2.gz JQEINCRBPNNGMV-FRRDWIJNSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]([NH2+]CC(O)(C1CC1)C1CC1)[C@@H]1C[C@H]1C ZINC000657699705 411582453 /nfs/dbraw/zinc/58/24/53/411582453.db2.gz NYPZXDUBNHYSQH-GIPNMCIBSA-N 1 0 223.360 2.172 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+]C1CC(CO)C1 ZINC000657810542 411600157 /nfs/dbraw/zinc/60/01/57/411600157.db2.gz GNHHZNBAKDWIHS-QCXCNERSSA-N 1 0 211.349 2.173 10 0 BEAERO Cc1cc(C)c(C[NH2+]C2CC(CO)C2)c(C)c1 ZINC000657808786 411600684 /nfs/dbraw/zinc/60/06/84/411600684.db2.gz OTXDBEGGPLEEEV-UHFFFAOYSA-N 1 0 233.355 2.472 10 0 BEAERO OCC1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000657808774 411600916 /nfs/dbraw/zinc/60/09/16/411600916.db2.gz OFNDCSPGVDSOSF-UHFFFAOYSA-N 1 0 225.719 2.201 10 0 BEAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000657808996 411601419 /nfs/dbraw/zinc/60/14/19/411601419.db2.gz RPPTUIAXLLWNOS-PGHLRGPGSA-N 1 0 235.327 2.264 10 0 BEAERO OCC1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000657809436 411601636 /nfs/dbraw/zinc/60/16/36/411601636.db2.gz YBJHFMGNXYVVDT-UHFFFAOYSA-N 1 0 231.295 2.293 10 0 BEAERO CCOCc1ccccc1C[NH2+]CCCOC ZINC000037762478 170459537 /nfs/dbraw/zinc/45/95/37/170459537.db2.gz WLMXNCRFHPSONK-UHFFFAOYSA-N 1 0 237.343 2.349 10 0 BEAERO OCC1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000657810796 411603205 /nfs/dbraw/zinc/60/32/05/411603205.db2.gz LSSLQULOAYRYAY-UHFFFAOYSA-N 1 0 231.339 2.425 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000657812315 411603593 /nfs/dbraw/zinc/60/35/93/411603593.db2.gz HVBXTNZDRXILAB-CQLXCSJHSA-N 1 0 211.349 2.316 10 0 BEAERO OCC1CC([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000657812314 411603724 /nfs/dbraw/zinc/60/37/24/411603724.db2.gz HUQUQSGIEZCGQS-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO c1ccc(C[NH2+][C@H]2CCCSCC2)nc1 ZINC000657814511 411605053 /nfs/dbraw/zinc/60/50/53/411605053.db2.gz APJLHUIZMRKSJR-NSHDSACASA-N 1 0 222.357 2.457 10 0 BEAERO CCOC1CCC([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000657832787 411609069 /nfs/dbraw/zinc/60/90/69/411609069.db2.gz BKTSAYXWEPEADF-RYSNWHEDSA-N 1 0 241.375 2.491 10 0 BEAERO CCOc1ccc([C@@H](CO)[NH2+]C2CC2)cc1F ZINC000071549375 170558518 /nfs/dbraw/zinc/55/85/18/170558518.db2.gz GMIRQRGJLQKBFI-GFCCVEGCSA-N 1 0 239.290 2.010 10 0 BEAERO CCCc1nccnc1NCC[N@H+](C)C(C)C ZINC000663521102 411697459 /nfs/dbraw/zinc/69/74/59/411697459.db2.gz IDFQMQIWWJSHGX-UHFFFAOYSA-N 1 0 236.363 2.181 10 0 BEAERO CCOc1cccc(N2CC[NH2+][C@@H](C)CC2)c1 ZINC000049662513 170581159 /nfs/dbraw/zinc/58/11/59/170581159.db2.gz VEPFYDURBGRAOB-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO CCOc1cccc(OC[C@@H](C)C[NH2+]C)c1 ZINC000041243006 170583699 /nfs/dbraw/zinc/58/36/99/170583699.db2.gz OEUZIYUVSFYUBE-NSHDSACASA-N 1 0 223.316 2.320 10 0 BEAERO CCc1nnc(C[NH2+][C@@H](C)C(C)(C)CC)n1C ZINC000661232329 411737167 /nfs/dbraw/zinc/73/71/67/411737167.db2.gz DEMZDIFVQWNMED-JTQLQIEISA-N 1 0 238.379 2.292 10 0 BEAERO CCOc1ccccc1NC(=O)[C@H](C)CC[NH3+] ZINC000076619022 170594719 /nfs/dbraw/zinc/59/47/19/170594719.db2.gz QYKZQDJQEKHFPA-SNVBAGLBSA-N 1 0 236.315 2.009 10 0 BEAERO c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CCCO1 ZINC000133545686 411815649 /nfs/dbraw/zinc/81/56/49/411815649.db2.gz AWVDQZVEDYEKBC-JTQLQIEISA-N 1 0 238.356 2.289 10 0 BEAERO CC[C@@H](C)NC(=O)C[C@H](C[NH3+])c1cccs1 ZINC000057533474 170741263 /nfs/dbraw/zinc/74/12/63/170741263.db2.gz OTVPVEVWCDTJEC-NXEZZACHSA-N 1 0 240.372 2.095 10 0 BEAERO CC[C@@H](C)[NH2+]CCC(=O)c1ccc(F)c(N)c1 ZINC000098126421 170751185 /nfs/dbraw/zinc/75/11/85/170751185.db2.gz LOHRSXVPXXKLAQ-SECBINFHSA-N 1 0 238.306 2.369 10 0 BEAERO CC[C@@H](C)[NH2+]CCOc1ccccc1N ZINC000041217947 170751385 /nfs/dbraw/zinc/75/13/85/170751385.db2.gz HYTAHFHYEPBZSK-SNVBAGLBSA-N 1 0 208.305 2.036 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(OC)c(C)c1 ZINC000049828891 170752583 /nfs/dbraw/zinc/75/25/83/170752583.db2.gz JMLIZXKEPXBWKC-DGCLKSJQSA-N 1 0 237.343 2.425 10 0 BEAERO CC[C@@H](C[NH3+])NC(=O)c1ccc2ccccc2c1 ZINC000104327132 170822074 /nfs/dbraw/zinc/82/20/74/170822074.db2.gz LSDNZCSGBDMYKO-AWEZNQCLSA-N 1 0 242.322 2.307 10 0 BEAERO CC[C@@H]([NH3+])Cc1cnn(Cc2cccc(F)c2)c1 ZINC000054741538 170866110 /nfs/dbraw/zinc/86/61/10/170866110.db2.gz HKGRKLBCIVBQMZ-CQSZACIVSA-N 1 0 247.317 2.350 10 0 BEAERO CCc1nnc(C[NH2+]C2(CC(C)C)CC2)n1C ZINC000662069471 411970032 /nfs/dbraw/zinc/97/00/32/411970032.db2.gz MGYMBDIKPKUMIA-UHFFFAOYSA-N 1 0 236.363 2.046 10 0 BEAERO CC[C@@H]([NH3+])[C@H](C)n1cnc2ccccc21 ZINC000023067113 170868441 /nfs/dbraw/zinc/86/84/41/170868441.db2.gz NPGPATLIOZTTMO-VHSXEESVSA-N 1 0 203.289 2.335 10 0 BEAERO CC[C@@H]([NH3+])c1ccccc1OCc1ncccn1 ZINC000054458271 170871391 /nfs/dbraw/zinc/87/13/91/170871391.db2.gz FTVVLAZPNXDJMF-GFCCVEGCSA-N 1 0 243.310 2.465 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662041818 411958818 /nfs/dbraw/zinc/95/88/18/411958818.db2.gz CLAQFRHGASSKIN-BFHYXJOUSA-N 1 0 223.360 2.412 10 0 BEAERO OC1(C[N@@H+]2CCC[C@@H](C3CCC3)C2)CCC1 ZINC000662042960 411961119 /nfs/dbraw/zinc/96/11/19/411961119.db2.gz GWCBYMOYYNVGLY-CYBMUJFWSA-N 1 0 223.360 2.414 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000042579194 170967102 /nfs/dbraw/zinc/96/71/02/170967102.db2.gz VMUPQNLWLGYSAQ-LOWVWBTDSA-N 1 0 238.375 2.212 10 0 BEAERO CC[C@@H]1CCN(Cc2ccccc2)CC[NH2+]1 ZINC000049661276 171012382 /nfs/dbraw/zinc/01/23/82/171012382.db2.gz MGUBGNWZQLCQMU-CQSZACIVSA-N 1 0 218.344 2.261 10 0 BEAERO CC[C@@H]1CCN(Cc2cccnc2)CCC[NH2+]1 ZINC000049666566 171012516 /nfs/dbraw/zinc/01/25/16/171012516.db2.gz IMMRMOCPYVBVEO-CQSZACIVSA-N 1 0 233.359 2.046 10 0 BEAERO CC[C@@H]1CCN(c2cccc(F)c2)CC[NH2+]1 ZINC000049660726 171014385 /nfs/dbraw/zinc/01/43/85/171014385.db2.gz YBFQTEJUHSKTLL-GFCCVEGCSA-N 1 0 222.307 2.404 10 0 BEAERO CC[C@@H]1CC[C@H](N)[C@H]([NH+]2CCC(OC)CC2)C1 ZINC000037266209 171056707 /nfs/dbraw/zinc/05/67/07/171056707.db2.gz DWSJLTLOLVOUDR-KWCYVHTRSA-N 1 0 240.391 2.003 10 0 BEAERO CC[C@@H]1CN(C(=[NH2+])c2ccccc2)CCN1C ZINC000104128290 171060528 /nfs/dbraw/zinc/06/05/28/171060528.db2.gz GWTBNWVIXKZLJB-CYBMUJFWSA-N 1 0 231.343 2.038 10 0 BEAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(CC)C1 ZINC000336732103 171061193 /nfs/dbraw/zinc/06/11/93/171061193.db2.gz LCSJJMLSWAFDKQ-JHJVBQTASA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CN(CC(C)(C)C[NH2+]C(C)C)CCO1 ZINC000051217076 171076539 /nfs/dbraw/zinc/07/65/39/171076539.db2.gz KVKKXEMRZHSDRZ-CYBMUJFWSA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@@H]1CN(CCCc2ccccc2)CC[NH2+]1 ZINC000083359049 171081400 /nfs/dbraw/zinc/08/14/00/171081400.db2.gz NUHVNGDBKKESFQ-OAHLLOKOSA-N 1 0 232.371 2.303 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(N)c(C)c2)CC[N@@H+]1C ZINC000104355866 171089176 /nfs/dbraw/zinc/08/91/76/171089176.db2.gz AJSGKQITPFJCNV-CQSZACIVSA-N 1 0 247.386 2.103 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(O)cc2)[C@H](CC)C[NH2+]1 ZINC000083379427 171089479 /nfs/dbraw/zinc/08/94/79/171089479.db2.gz WQCMTJRVVCVZDG-ZIAGYGMSSA-N 1 0 248.370 2.355 10 0 BEAERO CC[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH3+])CCO1 ZINC000036769704 171093666 /nfs/dbraw/zinc/09/36/66/171093666.db2.gz LJRUIQXONVWEJV-HZSPNIEDSA-N 1 0 240.391 2.147 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(OC)c1 ZINC000083379397 171100700 /nfs/dbraw/zinc/10/07/00/171100700.db2.gz UDIMRWMYWBXZRZ-GXTWGEPZSA-N 1 0 248.370 2.268 10 0 BEAERO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CC(C)C ZINC000068695126 171100831 /nfs/dbraw/zinc/10/08/31/171100831.db2.gz NASAYLRDCBETSW-OLZOCXBDSA-N 1 0 212.381 2.351 10 0 BEAERO CC[C@@H]1CNCC[N@@H+]1[C@@H]1CCCC[C@@H]1C ZINC000083086518 171101202 /nfs/dbraw/zinc/10/12/02/171101202.db2.gz MZMIKOWSYRPFQN-YNEHKIRRSA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C(C)(C)C ZINC000083084990 171101282 /nfs/dbraw/zinc/10/12/82/171101282.db2.gz GAIOBBAIHFBYPR-VXGBXAGGSA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(F)cc1 ZINC000068697269 171101455 /nfs/dbraw/zinc/10/14/55/171101455.db2.gz ZQYONWITJPXRJQ-SMDDNHRTSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@@H]1CO[C@@H](C)CN1CCC[NH2+]C(C)(C)C ZINC000042451720 171110085 /nfs/dbraw/zinc/11/00/85/171110085.db2.gz FFCYTIJVKMPRAC-QWHCGFSZSA-N 1 0 242.407 2.264 10 0 BEAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(CC)(CC)CO ZINC000051295432 171110536 /nfs/dbraw/zinc/11/05/36/171110536.db2.gz GNEHJWDCVCXBFJ-QWHCGFSZSA-N 1 0 243.391 2.284 10 0 BEAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1N ZINC000036797846 171110571 /nfs/dbraw/zinc/11/05/71/171110571.db2.gz DFAUDVDZBJUTPV-WCQYABFASA-N 1 0 234.343 2.268 10 0 BEAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1N ZINC000036797842 171113881 /nfs/dbraw/zinc/11/38/81/171113881.db2.gz DFAUDVDZBJUTPV-DGCLKSJQSA-N 1 0 234.343 2.268 10 0 BEAERO CC[C@@H]1CO[C@H](c2cccc(F)c2)C[NH2+]1 ZINC000036672756 171114752 /nfs/dbraw/zinc/11/47/52/171114752.db2.gz ALYPCOPSVXIWIW-NEPJUHHUSA-N 1 0 209.264 2.265 10 0 BEAERO CC[C@@H]1Cc2cc(OC)cc(OC)c2C[NH2+]1 ZINC000052095343 171143608 /nfs/dbraw/zinc/14/36/08/171143608.db2.gz ZYGWXAWREUAUSY-SNVBAGLBSA-N 1 0 221.300 2.128 10 0 BEAERO CC[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)OC(C)(C)C ZINC000096987039 171157410 /nfs/dbraw/zinc/15/74/10/171157410.db2.gz MXLRXTHRJBCSBD-GHMZBOCLSA-N 1 0 242.363 2.371 10 0 BEAERO CC[C@@](C)(C[NH3+])Oc1ccc(CCOC)cc1 ZINC000051959496 171166036 /nfs/dbraw/zinc/16/60/36/171166036.db2.gz HDSNSIOAHQJGSG-AWEZNQCLSA-N 1 0 237.343 2.382 10 0 BEAERO CC[C@@](C)(C[NH2+]C(C)C)CN1CCOC[C@@H]1C ZINC000051216831 171167520 /nfs/dbraw/zinc/16/75/20/171167520.db2.gz XCFWGZZTJXUKOY-KBPBESRZSA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@@]1(C(=O)N(C)[C@H](C)C(C)C)CCC[NH2+]C1 ZINC000062854015 171194707 /nfs/dbraw/zinc/19/47/07/171194707.db2.gz BEGWMRFKHZRPJQ-TZMCWYRMSA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@@]1(c2cccc(Cl)c2)C[C@]1(C[NH3+])CO ZINC000070500907 171216801 /nfs/dbraw/zinc/21/68/01/171216801.db2.gz PSWGMWOBQSWNHU-STQMWFEESA-N 1 0 239.746 2.329 10 0 BEAERO CC[C@H](C)C(=O)Nc1ccccc1OCC[NH3+] ZINC000036987938 171255383 /nfs/dbraw/zinc/25/53/83/171255383.db2.gz ZQIIHIJVFNJKQX-JTQLQIEISA-N 1 0 236.315 2.009 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000120454239 171280543 /nfs/dbraw/zinc/28/05/43/171280543.db2.gz UNAROKAXRGNYBB-KBPBESRZSA-N 1 0 242.407 2.075 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@@H](O)c1ccccc1OC ZINC000133535245 171284805 /nfs/dbraw/zinc/28/48/05/171284805.db2.gz ZRVBKBREHZOPSK-WCQYABFASA-N 1 0 237.343 2.364 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000054468887 171285861 /nfs/dbraw/zinc/28/58/61/171285861.db2.gz YJRVDILPSSBMRJ-IUCAKERBSA-N 1 0 237.347 2.083 10 0 BEAERO CC[C@H](C[C@@H](C)CC)[NH2+]CCCn1ccnn1 ZINC000126411986 171295753 /nfs/dbraw/zinc/29/57/53/171295753.db2.gz XGZGQZWSMJIRKP-QWHCGFSZSA-N 1 0 238.379 2.473 10 0 BEAERO CC[C@H](C)C[C@H](C[NH3+])C(=O)N1CCCCCC1 ZINC000051690263 171299206 /nfs/dbraw/zinc/29/92/06/171299206.db2.gz PFMUGIGWMAHNNV-QWHCGFSZSA-N 1 0 240.391 2.400 10 0 BEAERO CC[C@H](C)N(C)c1nc(C)cc(C)c1C[NH3+] ZINC000040509397 171309091 /nfs/dbraw/zinc/30/90/91/171309091.db2.gz DBISWAXVIWMMSQ-NSHDSACASA-N 1 0 221.348 2.392 10 0 BEAERO CC[C@H](C)N(C)c1nc2ccccn2c1C[NH2+]C ZINC000035449330 171309885 /nfs/dbraw/zinc/30/98/85/171309885.db2.gz RYTZQMUCNVFVQO-NSHDSACASA-N 1 0 246.358 2.288 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124348754 171317845 /nfs/dbraw/zinc/31/78/45/171317845.db2.gz PGDCSRFHPHSELS-RVMXOQNASA-N 1 0 211.349 2.410 10 0 BEAERO CC[C@H](C)[N@@H+]1C[C@@H](C(C)C)NC[C@H]1CC ZINC000083085099 171319885 /nfs/dbraw/zinc/31/98/85/171319885.db2.gz PWWBEEJNRJZIRS-XQQFMLRXSA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@H](C)[N@@H+]1C[C@H](C(C)C)NC[C@H]1CC ZINC000083085101 171320173 /nfs/dbraw/zinc/32/01/73/171320173.db2.gz PWWBEEJNRJZIRS-YNEHKIRRSA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000049234965 171335091 /nfs/dbraw/zinc/33/50/91/171335091.db2.gz FMTAQQRDGVGFSP-UWVGGRQHSA-N 1 0 238.375 2.068 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N(C)CCc1ccccc1 ZINC000037815652 171339438 /nfs/dbraw/zinc/33/94/38/171339438.db2.gz RWPZWPCQBQFFFE-ZDUSSCGKSA-N 1 0 248.370 2.076 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1F ZINC000020036572 171339562 /nfs/dbraw/zinc/33/95/62/171339562.db2.gz OAUHXHYPIKIDEB-VIFPVBQESA-N 1 0 224.279 2.152 10 0 BEAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1cccc(N)c1 ZINC000098124784 171339981 /nfs/dbraw/zinc/33/99/81/171339981.db2.gz RUPYYWUBGSAAIC-GXFFZTMASA-N 1 0 222.332 2.080 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](C)N(C)Cc1ccccn1 ZINC000053491324 171341153 /nfs/dbraw/zinc/34/11/53/171341153.db2.gz ZMYXIHMSWGYDAO-STQMWFEESA-N 1 0 235.375 2.290 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C)cc1C ZINC000038064893 171345493 /nfs/dbraw/zinc/34/54/93/171345493.db2.gz KVPGMAGJCMUWNE-WCQYABFASA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000019882706 171347482 /nfs/dbraw/zinc/34/74/82/171347482.db2.gz RUQFRMFGYJYARF-GZMMTYOYSA-N 1 0 207.273 2.214 10 0 BEAERO CC[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000026515192 171347894 /nfs/dbraw/zinc/34/78/94/171347894.db2.gz QELHMZRJHSHJIY-NWDGAFQWSA-N 1 0 226.364 2.166 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123955405 171365045 /nfs/dbraw/zinc/36/50/45/171365045.db2.gz COLKYNDHISSCOF-NWDGAFQWSA-N 1 0 209.337 2.216 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])CN1CCc2ccccc2C1 ZINC000020073098 171372225 /nfs/dbraw/zinc/37/22/25/171372225.db2.gz BJIGXIJBLGDALS-WFASDCNBSA-N 1 0 232.371 2.418 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502544 171390140 /nfs/dbraw/zinc/39/01/40/171390140.db2.gz OUHDEXDCASUPAF-RWMBFGLXSA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000042494730 171392821 /nfs/dbraw/zinc/39/28/21/171392821.db2.gz IXXRPJONFAAAKV-VOAKCMCISA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000042494724 171392864 /nfs/dbraw/zinc/39/28/64/171392864.db2.gz IXXRPJONFAAAKV-RVMXOQNASA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])CN(C)c1ccccc1 ZINC000011805206 171396434 /nfs/dbraw/zinc/39/64/34/171396434.db2.gz OWVIZZMNYRMODF-WCQYABFASA-N 1 0 206.333 2.496 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1OC ZINC000011959915 171396552 /nfs/dbraw/zinc/39/65/52/171396552.db2.gz SRMHWLICVOYIIQ-CABZTGNLSA-N 1 0 236.315 2.007 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000034940637 171396577 /nfs/dbraw/zinc/39/65/77/171396577.db2.gz YOQJVYLATNERIU-XPTSAGLGSA-N 1 0 232.327 2.251 10 0 BEAERO CC[C@H](C[NH2+]C)N1Cc2ccccc2C1 ZINC000052374254 171437885 /nfs/dbraw/zinc/43/78/85/171437885.db2.gz MAYNPNKRCRGHCI-CYBMUJFWSA-N 1 0 204.317 2.000 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000134215606 412127905 /nfs/dbraw/zinc/12/79/05/412127905.db2.gz PZHBEXWADQRZJX-UTUOFQBUSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000665239789 412179599 /nfs/dbraw/zinc/17/95/99/412179599.db2.gz ZGCXYWOZSVRBJP-LOWDOPEQSA-N 1 0 210.365 2.010 10 0 BEAERO CC[C@H]([NH3+])C(=O)N[C@@H](CC)c1cccs1 ZINC000049532178 171480952 /nfs/dbraw/zinc/48/09/52/171480952.db2.gz ZJVCDVQERKQGDC-IUCAKERBSA-N 1 0 226.345 2.053 10 0 BEAERO CC[C@H]([NH3+])COc1ccc(F)cc1F ZINC000050180779 171485859 /nfs/dbraw/zinc/48/58/59/171485859.db2.gz UULRYSOCYRGRAM-QMMMGPOBSA-N 1 0 201.216 2.081 10 0 BEAERO CC[C@H]([NH3+])[C@@H](C)n1ncc2ccccc21 ZINC000050525301 171487635 /nfs/dbraw/zinc/48/76/35/171487635.db2.gz YDNSBKCTOADYDB-KOLCDFICSA-N 1 0 203.289 2.335 10 0 BEAERO CC[C@H]([NH3+])[C@@H](C)n1cnc2ccccc21 ZINC000023067111 171487986 /nfs/dbraw/zinc/48/79/86/171487986.db2.gz NPGPATLIOZTTMO-ZJUUUORDSA-N 1 0 203.289 2.335 10 0 BEAERO CC[C@H]([NH3+])[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054932847 171488850 /nfs/dbraw/zinc/48/88/50/171488850.db2.gz DHKMJRQYTXKKHR-CPCISQLKSA-N 1 0 215.243 2.469 10 0 BEAERO CC[C@H]([NH3+])c1ccccc1OCCn1cccn1 ZINC000049313542 171491560 /nfs/dbraw/zinc/49/15/60/171491560.db2.gz FWZRYFXEYICRCT-ZDUSSCGKSA-N 1 0 245.326 2.372 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662517111 412202471 /nfs/dbraw/zinc/20/24/71/412202471.db2.gz QVIHGFBVBBNTCY-YGRLFVJLSA-N 1 0 244.338 2.208 10 0 BEAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000336729184 171550146 /nfs/dbraw/zinc/55/01/46/171550146.db2.gz HOFAHQGZHACHFL-DCAQKATOSA-N 1 0 225.332 2.106 10 0 BEAERO CC[C@H](O)C1(c2cccc(O)c2)CC[NH+](C)CC1 ZINC000082312290 171553692 /nfs/dbraw/zinc/55/36/92/171553692.db2.gz CUWNYXLTWXEDNK-AWEZNQCLSA-N 1 0 249.354 2.127 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCc1cc(C)cc(C)c1 ZINC000662647866 412254797 /nfs/dbraw/zinc/25/47/97/412254797.db2.gz SZIBLJUJROCQMH-ZDUSSCGKSA-N 1 0 234.343 2.047 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cc(C)cc(C)c1 ZINC000662646322 412255627 /nfs/dbraw/zinc/25/56/27/412255627.db2.gz INZFHJBFUPOYOU-GXTWGEPZSA-N 1 0 248.370 2.293 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662712550 412280126 /nfs/dbraw/zinc/28/01/26/412280126.db2.gz GEXRKYIIOAMJEQ-OLZOCXBDSA-N 1 0 238.375 2.153 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662712545 412280151 /nfs/dbraw/zinc/28/01/51/412280151.db2.gz GEXRKYIIOAMJEQ-CHWSQXEVSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000042579472 171609912 /nfs/dbraw/zinc/60/99/12/171609912.db2.gz UOTSBMJNWFOBOV-RYUDHWBXSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@H]1CCN(c2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049662980 171633319 /nfs/dbraw/zinc/63/33/19/171633319.db2.gz XVGYSTMSHAUZOC-STQMWFEESA-N 1 0 233.359 2.439 10 0 BEAERO CC[C@@H](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000662628437 412246074 /nfs/dbraw/zinc/24/60/74/412246074.db2.gz ZRAQXFUEZXPAAS-YPMHNXCESA-N 1 0 226.364 2.071 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000662856089 412325951 /nfs/dbraw/zinc/32/59/51/412325951.db2.gz YKZJKKDSZSLTBC-UNXYVOJBSA-N 1 0 240.391 2.445 10 0 BEAERO [NH3+]C1CCC(C(=O)NCCCC2CCC2)CC1 ZINC000662875841 412333379 /nfs/dbraw/zinc/33/33/79/412333379.db2.gz RWRNZADNXOTHIQ-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1ccccc1 ZINC000119394294 171699520 /nfs/dbraw/zinc/69/95/20/171699520.db2.gz QOIKLZDMBPAHMH-ZDUSSCGKSA-N 1 0 207.317 2.279 10 0 BEAERO CCc1c(C)nn([C@H](C)[C@H]([NH3+])CC)c1C ZINC000040732085 171741252 /nfs/dbraw/zinc/74/12/52/171741252.db2.gz UBTCQICEYJNYKN-ZYHUDNBSSA-N 1 0 209.337 2.361 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCCCC1CCCC1 ZINC000225809722 487623279 /nfs/dbraw/zinc/62/32/79/487623279.db2.gz KYTFRDAYVCGZMH-CYBMUJFWSA-N 1 0 240.391 2.446 10 0 BEAERO CCCc1nccnc1NCC[C@@H]([NH3+])C(C)C ZINC000663276012 412405082 /nfs/dbraw/zinc/40/50/82/412405082.db2.gz USIFLHCYEOQXHK-LLVKDONJSA-N 1 0 236.363 2.214 10 0 BEAERO C[NH2+]C[C@H](C)Nc1nc2ccccc2s1 ZINC000663278870 412407460 /nfs/dbraw/zinc/40/74/60/412407460.db2.gz NIIFIONUUVYDIG-QMMMGPOBSA-N 1 0 221.329 2.316 10 0 BEAERO C[NH2+]C[C@H](C)Nc1ncccc1C(F)(F)F ZINC000663280058 412408661 /nfs/dbraw/zinc/40/86/61/412408661.db2.gz XEMMERBZXDNWNQ-ZETCQYMHSA-N 1 0 233.237 2.120 10 0 BEAERO CCc1ccc(NC(=O)C[C@H](C)C[NH3+])cc1 ZINC000076610236 171818454 /nfs/dbraw/zinc/81/84/54/171818454.db2.gz HSQIWAONBQRZOA-JTQLQIEISA-N 1 0 220.316 2.172 10 0 BEAERO CCc1ccc([C@](C)(O)C[NH2+]C2CC2)cc1 ZINC000032013483 171846391 /nfs/dbraw/zinc/84/63/91/171846391.db2.gz FISUTAHMBWXXGF-CQSZACIVSA-N 1 0 219.328 2.209 10 0 BEAERO CCc1cccc2c([C@H](O)CC[NH3+])c[nH]c21 ZINC000082368275 171868182 /nfs/dbraw/zinc/86/81/82/171868182.db2.gz RPGYWRFVUOFFBV-GFCCVEGCSA-N 1 0 218.300 2.113 10 0 BEAERO CCc1nc([C@@H]([NH2+]C)[C@@H]2CCOC2)sc1C ZINC000041060664 172003603 /nfs/dbraw/zinc/00/36/03/172003603.db2.gz UTAQTWBNQJUQTL-KOLCDFICSA-N 1 0 240.372 2.311 10 0 BEAERO CCc1nc2ccccc2n1CCCC[NH3+] ZINC000057798903 172013260 /nfs/dbraw/zinc/01/32/60/172013260.db2.gz MZHFALVXLQIAEK-UHFFFAOYSA-N 1 0 217.316 2.338 10 0 BEAERO CCc1nc2ccccc2n1C[C@H]([NH3+])CC ZINC000057798926 172013734 /nfs/dbraw/zinc/01/37/34/172013734.db2.gz TUXWPCPHRCWQAM-SNVBAGLBSA-N 1 0 217.316 2.336 10 0 BEAERO CCc1nccn1[C@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043124269 172028783 /nfs/dbraw/zinc/02/87/83/172028783.db2.gz OIZROEMEJNARAH-CABZTGNLSA-N 1 0 235.356 2.444 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000042962436 172029152 /nfs/dbraw/zinc/02/91/52/172029152.db2.gz JGXHCJOBIRTSQZ-CYBMUJFWSA-N 1 0 245.326 2.002 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1ccsc1 ZINC000043124265 172029679 /nfs/dbraw/zinc/02/96/79/172029679.db2.gz JGANZEPDCDBKFW-SNVBAGLBSA-N 1 0 221.329 2.055 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916009 172029761 /nfs/dbraw/zinc/02/97/61/172029761.db2.gz VMQPIZMGYHIRIE-LBPRGKRZSA-N 1 0 233.290 2.133 10 0 BEAERO CCc1ncnc(N[C@H](C)CCCC[NH3+])c1F ZINC000310123192 172033407 /nfs/dbraw/zinc/03/34/07/172033407.db2.gz AEBOJHRWJZCLOS-SECBINFHSA-N 1 0 240.326 2.108 10 0 BEAERO CCc1nn(CC[NH3+])c2c3ccoc3ccc12 ZINC000000017687 172045619 /nfs/dbraw/zinc/04/56/19/172045619.db2.gz GJZACHZLWQBTPQ-UHFFFAOYSA-N 1 0 229.283 2.304 10 0 BEAERO CCn1c2ccc([C@H]([NH3+])C3CCC3)cc2oc1=O ZINC000051363218 172133611 /nfs/dbraw/zinc/13/36/11/172133611.db2.gz JMYVESMQYVRVEV-CYBMUJFWSA-N 1 0 246.310 2.414 10 0 BEAERO CCn1c2ccc(F)cc2nc1C(C)(C)[NH3+] ZINC000040911256 172134994 /nfs/dbraw/zinc/13/49/94/172134994.db2.gz NOINCXUMISYIHM-UHFFFAOYSA-N 1 0 221.279 2.389 10 0 BEAERO CCn1c(C)cc(C[C@@H]2CCC[NH2+]2)c1C ZINC000082594055 172135641 /nfs/dbraw/zinc/13/56/41/172135641.db2.gz SOFDKNUCSQJERH-ZDUSSCGKSA-N 1 0 206.333 2.419 10 0 BEAERO CCn1c(C)[nH+]c(-c2ccccc2)c1N ZINC000104907563 172137839 /nfs/dbraw/zinc/13/78/39/172137839.db2.gz PVDXLACKRCKRCN-UHFFFAOYSA-N 1 0 201.273 2.461 10 0 BEAERO CCn1c(C)nnc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000108864117 172139069 /nfs/dbraw/zinc/13/90/69/172139069.db2.gz HFUDZAWWOWBGGT-PHIMTYICSA-N 1 0 236.363 2.369 10 0 BEAERO CCn1c(C)nnc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000108864121 172139987 /nfs/dbraw/zinc/13/99/87/172139987.db2.gz HFUDZAWWOWBGGT-GHMZBOCLSA-N 1 0 236.363 2.369 10 0 BEAERO CCn1c2cccc(F)c2nc1CCC[NH3+] ZINC000037442661 172143533 /nfs/dbraw/zinc/14/35/33/172143533.db2.gz DWNWIKFIHQCTIK-UHFFFAOYSA-N 1 0 221.279 2.087 10 0 BEAERO CCn1c(CCC[NH2+]C)nc2cc(F)ccc21 ZINC000037439514 172143955 /nfs/dbraw/zinc/14/39/55/172143955.db2.gz LDBXZSBSBRCYHF-UHFFFAOYSA-N 1 0 235.306 2.347 10 0 BEAERO CCn1c2cccc(F)c2nc1C[C@@H](C)[NH3+] ZINC000037442634 172144849 /nfs/dbraw/zinc/14/48/49/172144849.db2.gz XBPLMZFTWSHGSL-MRVPVSSYSA-N 1 0 221.279 2.085 10 0 BEAERO CCn1cc(-c2cc(C[NH3+])ccc2F)cn1 ZINC000043462670 172148617 /nfs/dbraw/zinc/14/86/17/172148617.db2.gz YHAMFVMAPPFERY-UHFFFAOYSA-N 1 0 219.263 2.168 10 0 BEAERO CCn1cc(-c2csc([C@@H](C)[NH3+])n2)cn1 ZINC000044495433 172149644 /nfs/dbraw/zinc/14/96/44/172149644.db2.gz WMZWDSHQADNCEZ-SSDOTTSWSA-N 1 0 222.317 2.046 10 0 BEAERO CCn1cc(CC[NH3+])c2ccc(F)cc21 ZINC000068576884 172157802 /nfs/dbraw/zinc/15/78/02/172157802.db2.gz MPTXJBMWVSUJRJ-UHFFFAOYSA-N 1 0 206.264 2.302 10 0 BEAERO CCn1cc(CC2([NH3+])CCCCCC2)cn1 ZINC000050541591 172158397 /nfs/dbraw/zinc/15/83/97/172158397.db2.gz IXNKBEKJZUFNKF-UHFFFAOYSA-N 1 0 221.348 2.497 10 0 BEAERO CCn1cc(C2CC[NH+](CCC(C)=O)CC2)cn1 ZINC000103473288 172158552 /nfs/dbraw/zinc/15/85/52/172158552.db2.gz YCOPVVWURMCPHZ-UHFFFAOYSA-N 1 0 249.358 2.062 10 0 BEAERO CCn1cc(C[NH2+]CCc2ccsc2)cn1 ZINC000050539681 172170101 /nfs/dbraw/zinc/17/01/01/172170101.db2.gz LANLQOWFEROJFS-UHFFFAOYSA-N 1 0 235.356 2.297 10 0 BEAERO CCn1cc(C[C@@H]([NH3+])C2CCCCC2)cn1 ZINC000050542512 172176928 /nfs/dbraw/zinc/17/69/28/172176928.db2.gz JVUCNZVVRFUSSD-CYBMUJFWSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@@]2([NH3+])CCCC[C@H]2C)cn1 ZINC000050541619 172177237 /nfs/dbraw/zinc/17/72/37/172177237.db2.gz WFLLXEAOSKCKTL-YPMHNXCESA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2cccc(C)c2)cn1 ZINC000043469276 172193884 /nfs/dbraw/zinc/19/38/84/172193884.db2.gz HLJLLOPSRWFJHE-ZDUSSCGKSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1cc([C@H]([NH3+])c2cccs2)cn1 ZINC000043469018 172199515 /nfs/dbraw/zinc/19/95/15/172199515.db2.gz KFFPYWAMCMMZLQ-JTQLQIEISA-N 1 0 207.302 2.013 10 0 BEAERO CCn1cc([C@H]2CCCC[C@@H]2[NH2+]C)cn1 ZINC000060715339 172199711 /nfs/dbraw/zinc/19/97/11/172199711.db2.gz SZMKMILTQALBML-NEPJUHHUSA-N 1 0 207.321 2.149 10 0 BEAERO CCn1cccc1C[NH2+]CC(O)(CC)CC ZINC000085609981 172207063 /nfs/dbraw/zinc/20/70/63/172207063.db2.gz HWBSRAUJLTZFEO-UHFFFAOYSA-N 1 0 224.348 2.149 10 0 BEAERO CCn1cccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000091025166 172207196 /nfs/dbraw/zinc/20/71/96/172207196.db2.gz XGXGRQXUWNHKRB-UHFFFAOYSA-N 1 0 247.386 2.224 10 0 BEAERO CCn1cccc1C[NH2+]CCOCC1CC1 ZINC000234190192 172207612 /nfs/dbraw/zinc/20/76/12/172207612.db2.gz YPODCELUSDWPJS-UHFFFAOYSA-N 1 0 222.332 2.024 10 0 BEAERO CCn1cccc1C[NH2+]CCc1nccs1 ZINC000085609579 172207852 /nfs/dbraw/zinc/20/78/52/172207852.db2.gz BZGJRITUJCUYES-UHFFFAOYSA-N 1 0 235.356 2.297 10 0 BEAERO CCn1cccc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000158505511 172208656 /nfs/dbraw/zinc/20/86/56/172208656.db2.gz UPKQVHGJUHCALO-NEPJUHHUSA-N 1 0 222.332 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000336722874 172208777 /nfs/dbraw/zinc/20/87/77/172208777.db2.gz YJGOXWZACHQQRV-QWHCGFSZSA-N 1 0 236.359 2.149 10 0 BEAERO CCn1cc[nH+]c1N[C@@H](C)c1cccnc1 ZINC000050608452 172228263 /nfs/dbraw/zinc/22/82/63/172228263.db2.gz PYXSXEOKZJYIMQ-JTQLQIEISA-N 1 0 216.288 2.471 10 0 BEAERO CCn1nc(-c2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC000028011173 172241454 /nfs/dbraw/zinc/24/14/54/172241454.db2.gz NSAMZZPPLXKFND-UHFFFAOYSA-N 1 0 245.301 2.355 10 0 BEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCF)c1C ZINC000336720707 172248461 /nfs/dbraw/zinc/24/84/61/172248461.db2.gz ZVXKHMWYIGIBBL-MRVPVSSYSA-N 1 0 213.300 2.140 10 0 BEAERO CCn1ncc2c1CCC[C@H]2[NH2+]CC1CC1 ZINC000363815642 172255532 /nfs/dbraw/zinc/25/55/32/172255532.db2.gz ISSBLDLUXVWUFE-GFCCVEGCSA-N 1 0 219.332 2.280 10 0 BEAERO CCn1nccc1C[NH2+]C1(CC)CCC1 ZINC000119455995 172268326 /nfs/dbraw/zinc/26/83/26/172268326.db2.gz DAFMXAMIFQPURO-UHFFFAOYSA-N 1 0 207.321 2.325 10 0 BEAERO CN(/C=C/C1=[N+](C)CCS1)c1ccccc1 ZINC000005587093 172291458 /nfs/dbraw/zinc/29/14/58/172291458.db2.gz RBXHANJWVQZCFD-UHFFFAOYSA-N 1 0 233.360 2.424 10 0 BEAERO CN(C(=O)C[NH2+]C1CCCCCCC1)C1CC1 ZINC000049304451 172310133 /nfs/dbraw/zinc/31/01/33/172310133.db2.gz LSYATOVTXRUERE-UHFFFAOYSA-N 1 0 238.375 2.310 10 0 BEAERO CN(C)[C@@H](C[NH3+])c1cc(Cl)ccc1F ZINC000082596382 172518534 /nfs/dbraw/zinc/51/85/34/172518534.db2.gz XEVSAPLLPAIHJU-JTQLQIEISA-N 1 0 216.687 2.041 10 0 BEAERO CN(C)[C@@](C)(C[NH3+])c1cccc(Cl)c1 ZINC000082642093 172531298 /nfs/dbraw/zinc/53/12/98/172531298.db2.gz PJHPUAPKEYQKSZ-NSHDSACASA-N 1 0 212.724 2.076 10 0 BEAERO CN(CC(C)(C)C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055090524 172622570 /nfs/dbraw/zinc/62/25/70/172622570.db2.gz IHZJVBRKEJLBHJ-WDEREUQCSA-N 1 0 226.364 2.008 10 0 BEAERO CN(CC1CCC1)c1ccc(C(N)=[NH2+])cc1F ZINC000061458362 172657010 /nfs/dbraw/zinc/65/70/10/172657010.db2.gz XRSILZCYFWCKLV-UHFFFAOYSA-N 1 0 235.306 2.346 10 0 BEAERO CN(CC[NH2+]C1CC1)Cc1cccc(F)c1F ZINC000042691243 172743151 /nfs/dbraw/zinc/74/31/51/172743151.db2.gz LUQXQKXNWDJKNQ-UHFFFAOYSA-N 1 0 240.297 2.149 10 0 BEAERO CN(CCO)c1ccccc1C[NH2+]C(C)(C)C ZINC000062736422 172761871 /nfs/dbraw/zinc/76/18/71/172761871.db2.gz APKDCYUNWNDQHJ-UHFFFAOYSA-N 1 0 236.359 2.003 10 0 BEAERO CN(C[C@@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000053875675 172814458 /nfs/dbraw/zinc/81/44/58/172814458.db2.gz XBUFFPKATMLAPJ-GWCFXTLKSA-N 1 0 222.307 2.389 10 0 BEAERO CN(C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000050004417 172828164 /nfs/dbraw/zinc/82/81/64/172828164.db2.gz NRLXRUGQPJJBTH-LLVKDONJSA-N 1 0 208.280 2.014 10 0 BEAERO CN(C[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000062910745 172836953 /nfs/dbraw/zinc/83/69/53/172836953.db2.gz RSOKXADSXRVNIJ-CYBMUJFWSA-N 1 0 204.317 2.122 10 0 BEAERO CN(Cc1cccnc1)C[C@@H]([NH3+])c1ccccc1 ZINC000036771164 172884485 /nfs/dbraw/zinc/88/44/85/172884485.db2.gz MSBSYPLQQATNQM-OAHLLOKOSA-N 1 0 241.338 2.213 10 0 BEAERO CN(Cc1cscn1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042867641 172923935 /nfs/dbraw/zinc/92/39/35/172923935.db2.gz YDDFQEBJEHMOIP-NWDGAFQWSA-N 1 0 239.388 2.235 10 0 BEAERO CN(c1ccccc1)c1cc(C[NH3+])ccn1 ZINC000022169634 172950578 /nfs/dbraw/zinc/95/05/78/172950578.db2.gz KRNZHDPOZOWQRI-UHFFFAOYSA-N 1 0 213.284 2.308 10 0 BEAERO CN(c1ncccc1C(N)=[NH2+])C1CCCCC1 ZINC000019512154 172954637 /nfs/dbraw/zinc/95/46/37/172954637.db2.gz FGHRWFGZIGYSAN-UHFFFAOYSA-N 1 0 232.331 2.135 10 0 BEAERO CN1C(=[NH2+])NC[C@@H]1c1c(Cl)cccc1Cl ZINC000086458349 172973263 /nfs/dbraw/zinc/97/32/63/172973263.db2.gz YHYIPNSCIALSTN-MRVPVSSYSA-N 1 0 244.125 2.295 10 0 BEAERO CN1CCCC[C@@H]1C[NH2+]Cc1cccs1 ZINC000044561984 173005493 /nfs/dbraw/zinc/00/54/93/173005493.db2.gz NULVRGDAXXGRNB-LLVKDONJSA-N 1 0 224.373 2.322 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1CNc1cccc(N)c1 ZINC000044563744 173005925 /nfs/dbraw/zinc/00/59/25/173005925.db2.gz YNUPMPKQTZNCDU-CYBMUJFWSA-N 1 0 219.332 2.165 10 0 BEAERO C[N@@H+]1CCCN(c2ccc(Cl)cc2N)CC1 ZINC000020217458 173018251 /nfs/dbraw/zinc/01/82/51/173018251.db2.gz ILBKFOIXCCHGJM-UHFFFAOYSA-N 1 0 239.750 2.064 10 0 BEAERO CN1CCC[C@H](C[NH3+])[C@H]1c1ccc(F)cc1F ZINC000082327748 173040846 /nfs/dbraw/zinc/04/08/46/173040846.db2.gz VQTDMIXBJCXDCB-RNCFNFMXSA-N 1 0 240.297 2.306 10 0 BEAERO C[N@@H+]1CCC[C@H](n2ccc3cccnc32)C1 ZINC000090505000 173048751 /nfs/dbraw/zinc/04/87/51/173048751.db2.gz MFSOUDARVZQLKG-LBPRGKRZSA-N 1 0 215.300 2.303 10 0 BEAERO C[N@@H+]1CCC[C@H]1COc1cccc(F)c1 ZINC000026387348 173057640 /nfs/dbraw/zinc/05/76/40/173057640.db2.gz YMSPBBGEZQILFC-NSHDSACASA-N 1 0 209.264 2.299 10 0 BEAERO C[N@@H+]1CCOCC12C1CC3CC(C1)CC2C3 ZINC000026987381 173097967 /nfs/dbraw/zinc/09/79/67/173097967.db2.gz QUHRYIAHSALUPF-UHFFFAOYSA-N 1 0 221.344 2.143 10 0 BEAERO C[N@@H+]1CCS[C@H](c2cccc(O)c2)C1 ZINC000039316105 173110798 /nfs/dbraw/zinc/11/07/98/173110798.db2.gz AXSFOLPPBXFRJF-NSHDSACASA-N 1 0 209.314 2.112 10 0 BEAERO C[N@@H+]1CC[C@@H](CNc2c(N)cccc2Cl)C1 ZINC000037484588 173117124 /nfs/dbraw/zinc/11/71/24/173117124.db2.gz ADDPNWODEQKBHE-VIFPVBQESA-N 1 0 239.750 2.286 10 0 BEAERO C[N@@H+]1CC[C@@H]2C[C@H]1Cc1ccc(O)cc12 ZINC000027108822 173133102 /nfs/dbraw/zinc/13/31/02/173133102.db2.gz JANBJBABWKFLQT-GHMZBOCLSA-N 1 0 203.285 2.126 10 0 BEAERO CN1CC[C@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068592615 173145060 /nfs/dbraw/zinc/14/50/60/173145060.db2.gz ZIENPKRHFNGHTN-PWSUYJOCSA-N 1 0 224.735 2.292 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2N)C1 ZINC000042545179 173154375 /nfs/dbraw/zinc/15/43/75/173154375.db2.gz QOKYWDLDLLHNEH-VIFPVBQESA-N 1 0 225.723 2.038 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2c(F)cccc2F)C1 ZINC000061984923 173155046 /nfs/dbraw/zinc/15/50/46/173155046.db2.gz ITXJERRNDBRPRI-QMMMGPOBSA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000082807626 173168804 /nfs/dbraw/zinc/16/88/04/173168804.db2.gz ABKUFOHGGVDEEB-UHFFFAOYSA-N 1 0 231.274 2.204 10 0 BEAERO CN1Cc2c(c(Cl)ccc2Cl)[C@H]1C[NH3+] ZINC000082702808 173199986 /nfs/dbraw/zinc/19/99/86/173199986.db2.gz MNOVYNHTMPZYMU-SECBINFHSA-N 1 0 231.126 2.439 10 0 BEAERO CNC(=O)CCCCCc1cccc2c[nH+]cn21 ZINC000029405012 173236139 /nfs/dbraw/zinc/23/61/39/173236139.db2.gz ARNZODMJIMEWFV-UHFFFAOYSA-N 1 0 245.326 2.183 10 0 BEAERO CNC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000044988248 173260366 /nfs/dbraw/zinc/26/03/66/173260366.db2.gz RVSSSEFYTAQJLE-GFCCVEGCSA-N 1 0 234.343 2.090 10 0 BEAERO CNC(=O)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000044987555 173261145 /nfs/dbraw/zinc/26/11/45/173261145.db2.gz YAJSHTWTERKQBD-JHJVBQTASA-N 1 0 240.391 2.173 10 0 BEAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000037207570 173277347 /nfs/dbraw/zinc/27/73/47/173277347.db2.gz LXBGCXJKGFPRHO-LBPRGKRZSA-N 1 0 248.370 2.282 10 0 BEAERO CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037254061 173278068 /nfs/dbraw/zinc/27/80/68/173278068.db2.gz NNPAQTJWSOWQHV-UONOGXRCSA-N 1 0 246.354 2.048 10 0 BEAERO CNC(=O)[C@@H](CCC[NH3+])c1ccc(C(C)C)cc1 ZINC000076634532 173296286 /nfs/dbraw/zinc/29/62/86/173296286.db2.gz GZZIPFRSJUZIIH-AWEZNQCLSA-N 1 0 248.370 2.379 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000061317145 173317600 /nfs/dbraw/zinc/31/76/00/173317600.db2.gz YQACQSUACJCKKD-QWRGUYRKSA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000061318819 173317879 /nfs/dbraw/zinc/31/78/79/173317879.db2.gz OJFBFFOWKULLKA-MNOVXSKESA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)NC1CCCCCCC1 ZINC000061300121 173318378 /nfs/dbraw/zinc/31/83/78/173318378.db2.gz RRBHUKLLDPIRJW-UHFFFAOYSA-N 1 0 226.364 2.214 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)c(F)c1 ZINC000061300219 173318494 /nfs/dbraw/zinc/31/84/94/173318494.db2.gz ACASQTSLLCEOFI-UHFFFAOYSA-N 1 0 224.279 2.071 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1c(C)cccc1C ZINC000061300230 173318586 /nfs/dbraw/zinc/31/85/86/173318586.db2.gz UEAQAEOKHXWHGC-UHFFFAOYSA-N 1 0 220.316 2.240 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000061300567 173318709 /nfs/dbraw/zinc/31/87/09/173318709.db2.gz BIRQCFHFXKBNEX-VXGBXAGGSA-N 1 0 238.375 2.166 10 0 BEAERO C[NH2+]C(C)(C)CN(C)c1ccccc1C ZINC000061319810 173319276 /nfs/dbraw/zinc/31/92/76/173319276.db2.gz TYJBNLNPCBLMCU-UHFFFAOYSA-N 1 0 206.333 2.429 10 0 BEAERO C[NH2+]C(C)(C)CN1c2ccccc2C[C@@H]1C ZINC000061319472 173319504 /nfs/dbraw/zinc/31/95/04/173319504.db2.gz GWMAVLHGVPHKJT-NSHDSACASA-N 1 0 218.344 2.436 10 0 BEAERO C[NH2+]C(C)(C)c1nc2ccc(F)cc2n1C ZINC000061149875 173320926 /nfs/dbraw/zinc/32/09/26/173320926.db2.gz FWYMPESWJHLIFS-UHFFFAOYSA-N 1 0 221.279 2.167 10 0 BEAERO C[NH2+]C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000037536409 173322625 /nfs/dbraw/zinc/32/26/25/173322625.db2.gz GLYBWTHQCXWQGJ-UHFFFAOYSA-N 1 0 246.354 2.127 10 0 BEAERO C[NH2+]C1CCN(Cc2ccc(C)s2)CC1 ZINC000050225582 173323309 /nfs/dbraw/zinc/32/33/09/173323309.db2.gz ITMWLNPEAAVCFQ-UHFFFAOYSA-N 1 0 224.373 2.240 10 0 BEAERO C[NH2+]C1CN([C@@H]2CCCCc3ccccc32)C1 ZINC000169332918 173323830 /nfs/dbraw/zinc/32/38/30/173323830.db2.gz GJMVLBNPHMIQQG-OAHLLOKOSA-N 1 0 230.355 2.358 10 0 BEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(C)C ZINC000054601425 173323832 /nfs/dbraw/zinc/32/38/32/173323832.db2.gz WLOYKEKVJLYUKR-YHWZYXNKSA-N 1 0 210.365 2.247 10 0 BEAERO C[NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000045919743 173324947 /nfs/dbraw/zinc/32/49/47/173324947.db2.gz JSYPSYXJOVJJML-UHFFFAOYSA-N 1 0 234.343 2.033 10 0 BEAERO C[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000019431608 173334003 /nfs/dbraw/zinc/33/40/03/173334003.db2.gz ZGMFOFQHICORTN-UHFFFAOYSA-N 1 0 233.098 2.151 10 0 BEAERO C[NH2+]CC1(c2cccc(C)c2)CCOCC1 ZINC000053739438 173338002 /nfs/dbraw/zinc/33/80/02/173338002.db2.gz WPHUVGZNAQDLPA-UHFFFAOYSA-N 1 0 219.328 2.263 10 0 BEAERO C[NH2+]CCC(=O)OCc1c(C)cc(C)cc1C ZINC000077371105 173342157 /nfs/dbraw/zinc/34/21/57/173342157.db2.gz PXFWCJQGPKLTRN-UHFFFAOYSA-N 1 0 235.327 2.265 10 0 BEAERO C[NH2+]CCC(=O)OCc1ccc(F)c(Cl)c1 ZINC000077400438 173342253 /nfs/dbraw/zinc/34/22/53/173342253.db2.gz QUPOVPIJLFJQDQ-UHFFFAOYSA-N 1 0 245.681 2.132 10 0 BEAERO C[NH2+]CCC(=O)OCc1cc(Cl)ccc1F ZINC000077400442 173342298 /nfs/dbraw/zinc/34/22/98/173342298.db2.gz OTNOZSODTYBYEW-UHFFFAOYSA-N 1 0 245.681 2.132 10 0 BEAERO C[NH2+]CCCCC(=O)N(C)c1ccccc1C ZINC000077369702 173345068 /nfs/dbraw/zinc/34/50/68/173345068.db2.gz XBCPOYRIVZRWAU-UHFFFAOYSA-N 1 0 234.343 2.348 10 0 BEAERO C[NH2+]CCCCC(=O)N(C)c1cccc(F)c1 ZINC000077383952 173345265 /nfs/dbraw/zinc/34/52/65/173345265.db2.gz QAQNPACSYXLRQN-UHFFFAOYSA-N 1 0 238.306 2.178 10 0 BEAERO C[NH2+]CCCNC(=O)c1cccc2ccccc21 ZINC000036279983 173348685 /nfs/dbraw/zinc/34/86/85/173348685.db2.gz GLLZSPFMSUAUQD-UHFFFAOYSA-N 1 0 242.322 2.179 10 0 BEAERO C[NH2+]CCCOCc1c[nH]c2ccccc12 ZINC000077326755 173349814 /nfs/dbraw/zinc/34/98/14/173349814.db2.gz LKZJJTSEHBOVHR-UHFFFAOYSA-N 1 0 218.300 2.294 10 0 BEAERO C[NH2+]CCN(C)c1ccccc1OC(C)C ZINC000077334438 173354079 /nfs/dbraw/zinc/35/40/79/173354079.db2.gz APYLOIMTIDGRGC-UHFFFAOYSA-N 1 0 222.332 2.129 10 0 BEAERO C[NH2+]CCNc1cccc(Br)c1 ZINC000053387773 173356985 /nfs/dbraw/zinc/35/69/85/173356985.db2.gz PPQNTFPCAGNOAT-UHFFFAOYSA-N 1 0 229.121 2.080 10 0 BEAERO C[NH2+]CCOCCc1cc(Cl)ccc1F ZINC000077362200 173357048 /nfs/dbraw/zinc/35/70/48/173357048.db2.gz MVUFZGKQIWUAAT-UHFFFAOYSA-N 1 0 231.698 2.258 10 0 BEAERO C[NH2+]CC[C@H](O)c1cc(C(C)C)ccc1OC ZINC000049828982 173359164 /nfs/dbraw/zinc/35/91/64/173359164.db2.gz PNFIOILMMWPECJ-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO C[NH2+]CCc1cc(Br)ccc1OC ZINC000053301991 173359687 /nfs/dbraw/zinc/35/96/87/173359687.db2.gz BGTBJMDEHWQIPI-UHFFFAOYSA-N 1 0 244.132 2.220 10 0 BEAERO C[NH2+]CCc1coc2cc(OC)ccc12 ZINC000059177911 173360586 /nfs/dbraw/zinc/36/05/86/173360586.db2.gz NXORUJLPZCPOQK-UHFFFAOYSA-N 1 0 205.257 2.203 10 0 BEAERO C[NH2+]CCc1nc2c(s1)C[C@H](C)CC2 ZINC000041225099 173361016 /nfs/dbraw/zinc/36/10/16/173361016.db2.gz BBBQEFCBFWJWBX-MRVPVSSYSA-N 1 0 210.346 2.030 10 0 BEAERO C[NH2+]CCc1nnc(-c2cccc(Cl)c2)o1 ZINC000050619665 173361917 /nfs/dbraw/zinc/36/19/17/173361917.db2.gz QHIKJFHFOGVTDU-UHFFFAOYSA-N 1 0 237.690 2.152 10 0 BEAERO C[NH2+]C[C@@H](C)n1c(C)nc2ccccc21 ZINC000053524195 173364654 /nfs/dbraw/zinc/36/46/54/173364654.db2.gz IDHRTTYDOYXJPQ-SECBINFHSA-N 1 0 203.289 2.125 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1cccc(Br)c1 ZINC000052673869 173365129 /nfs/dbraw/zinc/36/51/29/173365129.db2.gz MULDQXXOPRPNCD-MRVPVSSYSA-N 1 0 244.132 2.436 10 0 BEAERO C[NH2+]C[C@@H](O)c1cc2cc(Cl)ccc2o1 ZINC000083048787 173365654 /nfs/dbraw/zinc/36/56/54/173365654.db2.gz NAWKHDGCPHCBHQ-SECBINFHSA-N 1 0 225.675 2.339 10 0 BEAERO C[NH2+]C[C@@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000041262203 173365819 /nfs/dbraw/zinc/36/58/19/173365819.db2.gz GAKNXFOLFQMLHM-QMMMGPOBSA-N 1 0 234.126 2.116 10 0 BEAERO C[NH2+]C[C@@H](O)Cc1ccc(C(C)(C)C)cc1 ZINC000041238209 173365855 /nfs/dbraw/zinc/36/58/55/173365855.db2.gz MNIPORAOANPMFU-ZDUSSCGKSA-N 1 0 221.344 2.107 10 0 BEAERO C[NH2+]C[C@@H](OCC1CC1)c1ccc(OC)cc1 ZINC000050485066 173366868 /nfs/dbraw/zinc/36/68/68/173366868.db2.gz KIJPQHKUWPXTBW-CQSZACIVSA-N 1 0 235.327 2.382 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1c1nc(C)cs1 ZINC000053706610 173367138 /nfs/dbraw/zinc/36/71/38/173367138.db2.gz FETKRMLFUCDARR-JTQLQIEISA-N 1 0 225.361 2.030 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cccc(C)c2)C1 ZINC000011892127 173370254 /nfs/dbraw/zinc/37/02/54/173370254.db2.gz BSKSGUFVODPIFZ-LBPRGKRZSA-N 1 0 204.317 2.041 10 0 BEAERO C[NH2+]C[C@@H]1C[C@H](O)c2cccc(Cl)c21 ZINC000057939199 173372194 /nfs/dbraw/zinc/37/21/94/173372194.db2.gz CZZORTIBKZLNKG-XVKPBYJWSA-N 1 0 211.692 2.080 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccc(C(F)(F)F)cc1 ZINC000055032747 173372330 /nfs/dbraw/zinc/37/23/30/173372330.db2.gz GERUIBBLZOEPNJ-SNVBAGLBSA-N 1 0 233.233 2.132 10 0 BEAERO C[NH2+]C[C@@H]1Cc2ccccc2CN1C(C)C ZINC000051860075 173372460 /nfs/dbraw/zinc/37/24/60/173372460.db2.gz MIKXIVNZXUSYHJ-AWEZNQCLSA-N 1 0 218.344 2.041 10 0 BEAERO C[NH2+]C[C@@]1(CCOc2ccccc2)CCCOC1 ZINC000062193709 173373193 /nfs/dbraw/zinc/37/31/93/173373193.db2.gz IXABTTKSELMMNZ-HNNXBMFYSA-N 1 0 249.354 2.472 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccccc1OCC(C)C ZINC000033466230 173373455 /nfs/dbraw/zinc/37/34/55/173373455.db2.gz DYIAYRWAOLGZAH-CQSZACIVSA-N 1 0 237.343 2.148 10 0 BEAERO C[NH2+]C[C@H](C)CCOc1ccc(OC)cc1 ZINC000041242936 173375162 /nfs/dbraw/zinc/37/51/62/173375162.db2.gz IYEMAHDQNBNSBN-LLVKDONJSA-N 1 0 223.316 2.320 10 0 BEAERO C[NH2+]C[C@H](C)CCOc1ccccc1F ZINC000041225662 173375316 /nfs/dbraw/zinc/37/53/16/173375316.db2.gz MSHYFWQIBJUGJC-SNVBAGLBSA-N 1 0 211.280 2.450 10 0 BEAERO C[NH2+]C[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000052693193 173375873 /nfs/dbraw/zinc/37/58/73/173375873.db2.gz SOHHVVUWOWFNJM-JTQLQIEISA-N 1 0 205.301 2.162 10 0 BEAERO C[NH2+]C[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000053608434 173375893 /nfs/dbraw/zinc/37/58/93/173375893.db2.gz XTMRULUCRZOFFV-QMMMGPOBSA-N 1 0 221.329 2.263 10 0 BEAERO C[NH2+]C[C@H](C)Cn1nc(C)c(Cl)c1C ZINC000052574079 173376296 /nfs/dbraw/zinc/37/62/96/173376296.db2.gz CFNVVEDKJVXLKX-ZETCQYMHSA-N 1 0 215.728 2.009 10 0 BEAERO C[NH2+]C[C@H](C)Oc1cccc2cccnc21 ZINC000052693721 173376337 /nfs/dbraw/zinc/37/63/37/173376337.db2.gz PRAVKUIJCJZBMC-JTQLQIEISA-N 1 0 216.284 2.222 10 0 BEAERO C[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000055027386 173377073 /nfs/dbraw/zinc/37/70/73/173377073.db2.gz NTOYFARVTSYYLK-QMMMGPOBSA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000041262202 173377076 /nfs/dbraw/zinc/37/70/76/173377076.db2.gz GAKNXFOLFQMLHM-MRVPVSSYSA-N 1 0 234.126 2.116 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1Cc1cccs1 ZINC000042407733 173377883 /nfs/dbraw/zinc/37/78/83/173377883.db2.gz UYPYICQNEQUJBX-LLVKDONJSA-N 1 0 224.373 2.322 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(C)c(C)c2)C1 ZINC000011892157 173381492 /nfs/dbraw/zinc/38/14/92/173381492.db2.gz COFXGIJVHGTEJA-CYBMUJFWSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000011892461 173381547 /nfs/dbraw/zinc/38/15/47/173381547.db2.gz LMZMYVHATAEZCK-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2c(C)cccc2C)C1 ZINC000011892169 173381809 /nfs/dbraw/zinc/38/18/09/173381809.db2.gz ZCKJHLOFZCPCOY-CYBMUJFWSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cc(C)ccc2OC)C1 ZINC000011892324 173382142 /nfs/dbraw/zinc/38/21/42/173382142.db2.gz ZCSAEXAWOLLPFQ-GFCCVEGCSA-N 1 0 234.343 2.049 10 0 BEAERO C[NH2+]C[C@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000054588420 173382447 /nfs/dbraw/zinc/38/24/47/173382447.db2.gz GTJOJPVWCGMEHG-RISCZKNCSA-N 1 0 227.311 2.195 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1ccc(OC)c(F)c1 ZINC000054589340 173382452 /nfs/dbraw/zinc/38/24/52/173382452.db2.gz XCBDHSMGNXCHSK-MFKMUULPSA-N 1 0 223.291 2.331 10 0 BEAERO C[NH2+]C[C@H]1C[C@H]1c1ccc(OC)c(C)c1 ZINC000054589041 173382565 /nfs/dbraw/zinc/38/25/65/173382565.db2.gz MAWAEXALROCXEW-NEPJUHHUSA-N 1 0 205.301 2.327 10 0 BEAERO C[NH2+]C[C@H]1C[C@H](O)c2cc(Cl)ccc21 ZINC000057939196 173382620 /nfs/dbraw/zinc/38/26/20/173382620.db2.gz GYZGBMDGOBCTDW-HQJQHLMTSA-N 1 0 211.692 2.080 10 0 BEAERO C[NH2+]C[C@H]1CC[C@H](COc2ccc(C)c(C)c2)O1 ZINC000052666112 173382842 /nfs/dbraw/zinc/38/28/42/173382842.db2.gz FDFSRWXXQCHXOV-HUUCEWRRSA-N 1 0 249.354 2.449 10 0 BEAERO C[NH2+]C[C@H]1CC[C@@H](CN(C)c2cccc(C)c2)O1 ZINC000052518098 173382901 /nfs/dbraw/zinc/38/29/01/173382901.db2.gz SBKSGBWBQABPIY-CABCVRRESA-N 1 0 248.370 2.198 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccc(Cl)cc1Cl ZINC000055032753 173383053 /nfs/dbraw/zinc/38/30/53/173383053.db2.gz PCNHBCQBLFDHRY-JTQLQIEISA-N 1 0 234.126 2.420 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccc(F)cc1F ZINC000054589553 173383353 /nfs/dbraw/zinc/38/33/53/173383353.db2.gz PTBSWGZAKVDUHP-PELKAZGASA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1cc(F)ccc1F ZINC000054589836 173383411 /nfs/dbraw/zinc/38/34/11/173383411.db2.gz SNIWEUJYISBKKL-PELKAZGASA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@]1(CCOCCC(C)C)CCOC1 ZINC000054663944 173384175 /nfs/dbraw/zinc/38/41/75/173384175.db2.gz LMZOOSFXIMLPBX-ZDUSSCGKSA-N 1 0 229.364 2.065 10 0 BEAERO C[NH2+]Cc1c(C)nn(-c2cccc(F)c2)c1C ZINC000049668137 173384183 /nfs/dbraw/zinc/38/41/83/173384183.db2.gz JDKRTGZOHRSURQ-UHFFFAOYSA-N 1 0 233.290 2.348 10 0 BEAERO C[NH2+]C[C@]1(Cc2ccccc2C)CCOC1 ZINC000054663835 173384458 /nfs/dbraw/zinc/38/44/58/173384458.db2.gz WKQMIPNFJISCND-CQSZACIVSA-N 1 0 219.328 2.164 10 0 BEAERO C[NH2+]Cc1cc(C)nc(-c2cccs2)n1 ZINC000054830982 173385670 /nfs/dbraw/zinc/38/56/70/173385670.db2.gz NNQIHNBVZPPENL-UHFFFAOYSA-N 1 0 219.313 2.233 10 0 BEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H]1CCC[C@@H]1O ZINC000071403596 173385735 /nfs/dbraw/zinc/38/57/35/173385735.db2.gz QRBMFYJAEJNBTC-GXTWGEPZSA-N 1 0 235.327 2.007 10 0 BEAERO C[NH2+]Cc1cc(C)nc(-c2ccccc2)n1 ZINC000054830889 173385962 /nfs/dbraw/zinc/38/59/62/173385962.db2.gz VSDMUVVCYMJOCM-UHFFFAOYSA-N 1 0 213.284 2.171 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1-n1cc(C)cn1 ZINC000037677826 173386945 /nfs/dbraw/zinc/38/69/45/173386945.db2.gz FASVJEADSNOIHZ-UHFFFAOYSA-N 1 0 219.263 2.039 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1-n1ccc(C)n1 ZINC000052884764 173386956 /nfs/dbraw/zinc/38/69/56/173386956.db2.gz WEJJRMSABUDKKH-UHFFFAOYSA-N 1 0 219.263 2.039 10 0 BEAERO C[NH2+]Cc1cc2c(cc1OC1CCCC1)OCO2 ZINC000042874080 173387039 /nfs/dbraw/zinc/38/70/39/173387039.db2.gz NGMVDSZPWOHQDU-UHFFFAOYSA-N 1 0 249.310 2.456 10 0 BEAERO C[NH2+]Cc1cc(N2CCc3ccccc32)ccn1 ZINC000051435155 173387302 /nfs/dbraw/zinc/38/73/02/173387302.db2.gz SGYCBBKPRCVVEB-UHFFFAOYSA-N 1 0 239.322 2.495 10 0 BEAERO C[NH2+]Cc1cc(N2CCCCCC2)ccn1 ZINC000051400054 173387572 /nfs/dbraw/zinc/38/75/72/173387572.db2.gz BLVWYSKTOHAGJX-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO C[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000051400068 173388583 /nfs/dbraw/zinc/38/85/83/173388583.db2.gz APMQSWZRCYMKNY-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO C[NH2+]Cc1ccc(O)c(C(F)(F)F)c1 ZINC000070953324 173388588 /nfs/dbraw/zinc/38/85/88/173388588.db2.gz WVNGGOJDGUNUAF-UHFFFAOYSA-N 1 0 205.179 2.130 10 0 BEAERO C[NH2+]Cc1ccc(O[C@@H](C)c2ccccc2)nn1 ZINC000051526122 173388968 /nfs/dbraw/zinc/38/89/68/173388968.db2.gz IHLCVNRTJNMYMC-NSHDSACASA-N 1 0 243.310 2.336 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)C1[C@@H]2CCC[C@H]12 ZINC000131123055 173390202 /nfs/dbraw/zinc/39/02/02/173390202.db2.gz CVEHDTCVJXJGSZ-ONXXMXGDSA-N 1 0 244.338 2.391 10 0 BEAERO C[NH2+]Cc1ccnc(Cc2cccc(Cl)c2)n1 ZINC000054791193 173391376 /nfs/dbraw/zinc/39/13/76/173391376.db2.gz WAALJTJJCQALEC-UHFFFAOYSA-N 1 0 247.729 2.440 10 0 BEAERO C[NH2+]Cc1cn(C)nc1-c1ccc(C)c(C)c1 ZINC000031886960 173391478 /nfs/dbraw/zinc/39/14/78/173391478.db2.gz LFPDNPAIBBTGDG-UHFFFAOYSA-N 1 0 229.327 2.423 10 0 BEAERO C[NH2+]Cc1ccoc1Cn1ncc2ccccc21 ZINC000052574109 173391750 /nfs/dbraw/zinc/39/17/50/173391750.db2.gz AQJYFWFMRPISOG-UHFFFAOYSA-N 1 0 241.294 2.397 10 0 BEAERO C[NH2+]Cc1cnc(N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000054899689 173392206 /nfs/dbraw/zinc/39/22/06/173392206.db2.gz FTSKHYNBSXNPNE-UWVGGRQHSA-N 1 0 239.388 2.345 10 0 BEAERO C[NH2+]Cc1cnc(N2CCC(C)CC2)s1 ZINC000054899877 173392307 /nfs/dbraw/zinc/39/23/07/173392307.db2.gz FPCWWJUAWNBYGW-UHFFFAOYSA-N 1 0 225.361 2.099 10 0 BEAERO C[NH2+]Cc1cnc(C2CCCCC2)nc1 ZINC000054855527 173392332 /nfs/dbraw/zinc/39/23/32/173392332.db2.gz TZHHWHNEWMLKKZ-UHFFFAOYSA-N 1 0 205.305 2.244 10 0 BEAERO C[NH2+]Cc1cnc(Cc2ccccc2OC)s1 ZINC000040996594 173392526 /nfs/dbraw/zinc/39/25/26/173392526.db2.gz GOUSYUFUTJEWLJ-UHFFFAOYSA-N 1 0 248.351 2.462 10 0 BEAERO C[NH2+]Cc1csc(Cc2ccc(OC)cc2)n1 ZINC000042390282 173393890 /nfs/dbraw/zinc/39/38/90/173393890.db2.gz SWEDVKKWLNSVCC-UHFFFAOYSA-N 1 0 248.351 2.462 10 0 BEAERO C[NH2+]Cc1csc(N2CCC(C)CC2)n1 ZINC000062214919 173393946 /nfs/dbraw/zinc/39/39/46/173393946.db2.gz VBPFWGXHVUMBFK-UHFFFAOYSA-N 1 0 225.361 2.099 10 0 BEAERO C[NH2+]Cc1nc(N2CCCC2)ccc1Cl ZINC000051399093 173394691 /nfs/dbraw/zinc/39/46/91/173394691.db2.gz VISICFVIQHNQNM-UHFFFAOYSA-N 1 0 225.723 2.055 10 0 BEAERO C[NH2+]Cc1nnc(-c2cccc(C)c2C)o1 ZINC000050615319 173397469 /nfs/dbraw/zinc/39/74/69/173397469.db2.gz DLTHFDKZRKYHKK-UHFFFAOYSA-N 1 0 217.272 2.073 10 0 BEAERO C[NH2+]Cc1nc(-c2ccccc2Cl)c[nH]1 ZINC000036877282 173397635 /nfs/dbraw/zinc/39/76/35/173397635.db2.gz LKCFVFAUUDRWPI-UHFFFAOYSA-N 1 0 221.691 2.450 10 0 BEAERO C[NH2+]Cc1ncc(-c2cccc(OC)c2)o1 ZINC000077325985 173397775 /nfs/dbraw/zinc/39/77/75/173397775.db2.gz OZDQWFKRWLMCGG-UHFFFAOYSA-N 1 0 218.256 2.070 10 0 BEAERO C[NH2+]Cc1nnc(-c2ccc3ncccc3c2)o1 ZINC000061439296 173398051 /nfs/dbraw/zinc/39/80/51/173398051.db2.gz VFSMMNBVHUPSME-UHFFFAOYSA-N 1 0 240.266 2.004 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(-c2cnn(C)c2)cc1 ZINC000038073053 173418516 /nfs/dbraw/zinc/41/85/16/173418516.db2.gz YYPPEDBFQMJCLP-JTQLQIEISA-N 1 0 215.300 2.368 10 0 BEAERO C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000021966588 173419288 /nfs/dbraw/zinc/41/92/88/173419288.db2.gz WIXITDHDKWUQDV-VIFPVBQESA-N 1 0 207.273 2.128 10 0 BEAERO C[NH2+][C@@H](C)c1cnc(CSC)s1 ZINC000054497017 173419992 /nfs/dbraw/zinc/41/99/92/173419992.db2.gz YFKCEKBKMBQYAA-LURJTMIESA-N 1 0 202.348 2.287 10 0 BEAERO C[NH2+][C@@H](c1sccc1C)[C@@H]1CCCO1 ZINC000042729398 173430872 /nfs/dbraw/zinc/43/08/72/173430872.db2.gz CXFXTXVNAAYKGT-VHSXEESVSA-N 1 0 211.330 2.496 10 0 BEAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1cnn(C)c1 ZINC000060716936 173431794 /nfs/dbraw/zinc/43/17/94/173431794.db2.gz AJNGDCMTLWLVQU-VXGBXAGGSA-N 1 0 207.321 2.056 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]1Oc1ccccc1F ZINC000044052931 173433931 /nfs/dbraw/zinc/43/39/31/173433931.db2.gz UVNHOPDDYCWVMT-ZYHUDNBSSA-N 1 0 209.264 2.345 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000037483261 173436678 /nfs/dbraw/zinc/43/66/78/173436678.db2.gz HAAZNBMYDLCZMN-LLVKDONJSA-N 1 0 224.735 2.447 10 0 BEAERO C[NH2+][C@H](C)CC12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000002010755 173445672 /nfs/dbraw/zinc/44/56/72/173445672.db2.gz STEFEEAVJHCPMZ-BFKVFCTQSA-N 1 0 223.360 2.316 10 0 BEAERO C[NH2+][C@H](C)COc1cnc(Cl)c(C)c1 ZINC000013819685 173447311 /nfs/dbraw/zinc/44/73/11/173447311.db2.gz WLKGRSYKSXOUEF-MRVPVSSYSA-N 1 0 214.696 2.030 10 0 BEAERO C[NH2+][C@H](C)[C@@H](C)Oc1cccc(F)c1F ZINC000062613713 173447478 /nfs/dbraw/zinc/44/74/78/173447478.db2.gz GHDGKCTUYJUFLT-HTQZYQBOSA-N 1 0 215.243 2.340 10 0 BEAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H]1CCOC1 ZINC000048623541 173456073 /nfs/dbraw/zinc/45/60/73/173456073.db2.gz NDTFFURZZHWACX-CHWSQXEVSA-N 1 0 205.301 2.292 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1C[C@H]1C ZINC000035495974 173456593 /nfs/dbraw/zinc/45/65/93/173456593.db2.gz AJABLIPUWTUJIG-XPLICSAQSA-N 1 0 230.311 2.098 10 0 BEAERO C[NH2+][C@H](c1sccc1C)[C@@H]1CCCO1 ZINC000042729401 173458372 /nfs/dbraw/zinc/45/83/72/173458372.db2.gz CXFXTXVNAAYKGT-UWVGGRQHSA-N 1 0 211.330 2.496 10 0 BEAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1ccccc1C ZINC000095075923 173466998 /nfs/dbraw/zinc/46/69/98/173466998.db2.gz PBCIAJBUGTVQTF-KBPBESRZSA-N 1 0 219.328 2.162 10 0 BEAERO COC(=O)[C@H](C[NH3+])Cc1ccc(C(C)C)cc1 ZINC000020579238 173796062 /nfs/dbraw/zinc/79/60/62/173796062.db2.gz GAKZQXIXBONYNU-ZDUSSCGKSA-N 1 0 235.327 2.100 10 0 BEAERO COC(OC)C(C)(C)[NH2+]C1CCCCC1 ZINC000001568227 173964756 /nfs/dbraw/zinc/96/47/56/173964756.db2.gz KCWZKXIVVSKFGO-UHFFFAOYSA-N 1 0 215.337 2.306 10 0 BEAERO COC1(C[N@@H+]2CC[C@H](CCO)C2)CCCCC1 ZINC000361550361 173996194 /nfs/dbraw/zinc/99/61/94/173996194.db2.gz FBOQSLMQVPJIQO-CYBMUJFWSA-N 1 0 241.375 2.040 10 0 BEAERO COC1CC[NH+]([C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000037266053 174030144 /nfs/dbraw/zinc/03/01/44/174030144.db2.gz PTXWVEAOBUQVTJ-WFASDCNBSA-N 1 0 248.370 2.186 10 0 BEAERO COCC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000336726341 174074052 /nfs/dbraw/zinc/07/40/52/174074052.db2.gz VKXJAOZRSSMNIY-QJPTWQEYSA-N 1 0 241.375 2.062 10 0 BEAERO COCC(C)(C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000125592696 174081782 /nfs/dbraw/zinc/08/17/82/174081782.db2.gz AQVLVBGDULBZFM-GFCCVEGCSA-N 1 0 235.327 2.005 10 0 BEAERO COCCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000117883815 174189696 /nfs/dbraw/zinc/18/96/96/174189696.db2.gz AVDKMNNTQPMZRL-ZDUSSCGKSA-N 1 0 237.347 2.363 10 0 BEAERO COCCC[N@H+](C)C[C@H](C)C(=O)c1ccccc1 ZINC000062035229 174218237 /nfs/dbraw/zinc/21/82/37/174218237.db2.gz HBFUELSRGWSHKX-ZDUSSCGKSA-N 1 0 249.354 2.474 10 0 BEAERO COCCC[N@H+](C)[C@@H]1C[C@@H](C(C)C)CC[C@H]1O ZINC000062034311 174221129 /nfs/dbraw/zinc/22/11/29/174221129.db2.gz SKOPMDGKZQHLQF-BFHYXJOUSA-N 1 0 243.391 2.140 10 0 BEAERO COCCCN(CCC[NH3+])c1cccc(C)c1 ZINC000037753562 174221795 /nfs/dbraw/zinc/22/17/95/174221795.db2.gz GEEVXQUUVAEMIS-UHFFFAOYSA-N 1 0 236.359 2.187 10 0 BEAERO COCCC[NH2+]CCN(C)[C@@H]1CCCC[C@@H]1C ZINC000053439031 174246984 /nfs/dbraw/zinc/24/69/84/174246984.db2.gz QUVNCWCYDVFQFP-UONOGXRCSA-N 1 0 242.407 2.123 10 0 BEAERO COCCC[NH2+]CCCN(C)c1ccccc1 ZINC000037753666 174247304 /nfs/dbraw/zinc/24/73/04/174247304.db2.gz PEJKJTPPAIBVND-UHFFFAOYSA-N 1 0 236.359 2.139 10 0 BEAERO COCCC[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000053487244 174247378 /nfs/dbraw/zinc/24/73/78/174247378.db2.gz PWVKTJWSRDNYCK-CYBMUJFWSA-N 1 0 248.370 2.064 10 0 BEAERO COCCC[NH2+]CCCOc1ccccc1 ZINC000041581902 174247467 /nfs/dbraw/zinc/24/74/67/174247467.db2.gz JNJKTAIYGPIFIM-UHFFFAOYSA-N 1 0 223.316 2.082 10 0 BEAERO COCCCOC[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000037747188 174255390 /nfs/dbraw/zinc/25/53/90/174255390.db2.gz QQMWCPMIXMVOCY-AWEZNQCLSA-N 1 0 237.343 2.356 10 0 BEAERO COCCCO[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043040345 174255922 /nfs/dbraw/zinc/25/59/22/174255922.db2.gz FPRMOQXSFATQJQ-TZMCWYRMSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@H](C)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000037747093 174256058 /nfs/dbraw/zinc/25/60/58/174256058.db2.gz WMRLSMTXSCDDCV-TZMCWYRMSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042969313 174256122 /nfs/dbraw/zinc/25/61/22/174256122.db2.gz IPMCISYNUXTGLT-GXTWGEPZSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000037747209 174256199 /nfs/dbraw/zinc/25/61/99/174256199.db2.gz UQBGBWCNBWCZCX-ZIAGYGMSSA-N 1 0 235.327 2.054 10 0 BEAERO COCCCOc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000037753385 174257216 /nfs/dbraw/zinc/25/72/16/174257216.db2.gz ZZYXLQZLSBQFTD-GFCCVEGCSA-N 1 0 237.343 2.382 10 0 BEAERO COCCC[C@@H](C[NH3+])Cc1ccccc1OC ZINC000052948719 174262218 /nfs/dbraw/zinc/26/22/18/174262218.db2.gz TUWBCSSDYYMNMA-GFCCVEGCSA-N 1 0 237.343 2.239 10 0 BEAERO COCC[N@H+](C)C[C@H](C)C(=O)c1ccccc1 ZINC000053936478 174279715 /nfs/dbraw/zinc/27/97/15/174279715.db2.gz VXEHWUOQSYQLBD-LBPRGKRZSA-N 1 0 235.327 2.084 10 0 BEAERO COCCN(C1CC1)[C@@](C)(C[NH3+])CCC(C)C ZINC000042517893 174284669 /nfs/dbraw/zinc/28/46/69/174284669.db2.gz UWHWQOIWKRXBNB-CQSZACIVSA-N 1 0 242.407 2.251 10 0 BEAERO COCCN([C@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000042902217 174284931 /nfs/dbraw/zinc/28/49/31/174284931.db2.gz BSEQKBFUDFFABR-WFASDCNBSA-N 1 0 248.370 2.186 10 0 BEAERO COCCN([C@@H](C)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518140 174285152 /nfs/dbraw/zinc/28/51/52/174285152.db2.gz FVKNOARXDDTBTB-WFASDCNBSA-N 1 0 248.370 2.186 10 0 BEAERO COCC[N@H+](C1CC1)[C@@]1(CN)CCCC[C@H]1C ZINC000042517899 174285540 /nfs/dbraw/zinc/28/55/40/174285540.db2.gz FEMBKSWMOJKWQO-TZMCWYRMSA-N 1 0 240.391 2.005 10 0 BEAERO COCCN(CC(C)C)c1ccc(C(N)=[NH2+])cc1 ZINC000042369411 174288408 /nfs/dbraw/zinc/28/84/08/174288408.db2.gz FINJPRSWBUKXSI-UHFFFAOYSA-N 1 0 249.358 2.079 10 0 BEAERO COCCN(C[C@H]([NH3+])c1ccccc1C)C1CC1 ZINC000042518167 174297571 /nfs/dbraw/zinc/29/75/71/174297571.db2.gz IYLRTCXTFGZLNU-HNNXBMFYSA-N 1 0 248.370 2.106 10 0 BEAERO COCC[N@H+](Cc1ccccc1N)C(C)C ZINC000035365792 174299137 /nfs/dbraw/zinc/29/91/37/174299137.db2.gz MIFFPUCQNMZZPK-UHFFFAOYSA-N 1 0 222.332 2.126 10 0 BEAERO COCC[N@@H+](Cc1ccccc1N)CC(C)C ZINC000042367188 174299740 /nfs/dbraw/zinc/29/97/40/174299740.db2.gz GTYUNYLHDXGVLN-UHFFFAOYSA-N 1 0 236.359 2.373 10 0 BEAERO COCC[N@H+]([C@@H](C)C1CC1)[C@@H]1CCCCC1=O ZINC000042680790 174302551 /nfs/dbraw/zinc/30/25/51/174302551.db2.gz RHDGPCHZWQWBET-WCQYABFASA-N 1 0 239.359 2.245 10 0 BEAERO COCC[N@H+]([C@H](C)C1CC1)C1(CN)CCCC1 ZINC000042615438 174302641 /nfs/dbraw/zinc/30/26/41/174302641.db2.gz YSAZLOVEUJHCAJ-GFCCVEGCSA-N 1 0 240.391 2.005 10 0 BEAERO COCC[N@H+]([C@@H](C)C1CC1)[C@@H]1CCCC[C@@H]1O ZINC000042681142 174302694 /nfs/dbraw/zinc/30/26/94/174302694.db2.gz PWSRRKDBMQHPKK-YUTCNCBUSA-N 1 0 241.375 2.037 10 0 BEAERO COCC[N@H+]([C@H](C)C1CC1)[C@@H](CN)C(C)(C)C ZINC000042615271 174303110 /nfs/dbraw/zinc/30/31/10/174303110.db2.gz BPVIEIAHTJDFCH-YPMHNXCESA-N 1 0 242.407 2.107 10 0 BEAERO COCCN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000062623358 174303743 /nfs/dbraw/zinc/30/37/43/174303743.db2.gz NIONGRJRSQTDPU-AWEZNQCLSA-N 1 0 248.370 2.058 10 0 BEAERO COCCNC1=[NH+][C@]2(CS1)CCC[C@@H](C)C2 ZINC000053098586 174330263 /nfs/dbraw/zinc/33/02/63/174330263.db2.gz YRHJNJSCQNSKQZ-ZYHUDNBSSA-N 1 0 242.388 2.274 10 0 BEAERO COCC[NH2+]CCCCOc1cccc(C)c1 ZINC000041582308 174332886 /nfs/dbraw/zinc/33/28/86/174332886.db2.gz GQYZLCCVBXUORJ-UHFFFAOYSA-N 1 0 237.343 2.390 10 0 BEAERO COCC[NH2+]C[C@@]1(CC2CCCC2)CCOC1 ZINC000054666503 174334517 /nfs/dbraw/zinc/33/45/17/174334517.db2.gz SLTRUAJIBBYFGL-AWEZNQCLSA-N 1 0 241.375 2.209 10 0 BEAERO COCC[NH2+]Cc1ccc(O)c(C(F)(F)F)c1 ZINC000071398841 174336429 /nfs/dbraw/zinc/33/64/29/174336429.db2.gz HMSXIYPWYPNGNJ-UHFFFAOYSA-N 1 0 249.232 2.147 10 0 BEAERO COCC[NH2+]Cc1nc2ccccc2s1 ZINC000037977617 174337476 /nfs/dbraw/zinc/33/74/76/174337476.db2.gz PGKAVILFQOFHRB-UHFFFAOYSA-N 1 0 222.313 2.032 10 0 BEAERO COCCO[C@@]1(C[NH2+]C2CC2)CCC[C@@H](C)C1 ZINC000050504585 174366180 /nfs/dbraw/zinc/36/61/80/174366180.db2.gz CTDMCEDILWRHDQ-OCCSQVGLSA-N 1 0 241.375 2.350 10 0 BEAERO COCC[C@@H]([NH3+])c1nc2c(cccc2Cl)[nH]1 ZINC000052785272 174393080 /nfs/dbraw/zinc/39/30/80/174393080.db2.gz GCKQGWDNAQYZCH-MRVPVSSYSA-N 1 0 239.706 2.253 10 0 BEAERO COCC[C@@](C)([NH3+])c1ccc(F)c(F)c1F ZINC000061837964 174399726 /nfs/dbraw/zinc/39/97/26/174399726.db2.gz RTGRRTHHMVRXIZ-LLVKDONJSA-N 1 0 233.233 2.314 10 0 BEAERO COC[C@@](C)(CCO)[NH2+]CC1CCCCCC1 ZINC000119098490 174520960 /nfs/dbraw/zinc/52/09/60/174520960.db2.gz NPUZRHFTUOYOCB-CQSZACIVSA-N 1 0 243.391 2.334 10 0 BEAERO COC[C@H](C)n1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000041728327 174560084 /nfs/dbraw/zinc/56/00/84/174560084.db2.gz HBQRSCXAGVCTGK-CMPLNLGQSA-N 1 0 222.332 2.340 10 0 BEAERO COCc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000089161720 174630214 /nfs/dbraw/zinc/63/02/14/174630214.db2.gz HGBNHZXKTYOYMS-HUUCEWRRSA-N 1 0 249.354 2.084 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2(C)CC2)C1(C)C ZINC000308937924 174784144 /nfs/dbraw/zinc/78/41/44/174784144.db2.gz LJBUKMOZKCWDGO-OUAUKWLOSA-N 1 0 211.349 2.436 10 0 BEAERO CO[C@]1(c2cccc3[nH]ccc32)CCC[NH2+]C1 ZINC000033885384 174917448 /nfs/dbraw/zinc/91/74/48/174917448.db2.gz HWVLANZOAMRQDN-CQSZACIVSA-N 1 0 230.311 2.393 10 0 BEAERO COc1cc(C[C@@H](C)[NH3+])c(SC)cc1OC ZINC000006036795 174987978 /nfs/dbraw/zinc/98/79/78/174987978.db2.gz GQUWSNDODZTHKC-MRVPVSSYSA-N 1 0 241.356 2.315 10 0 BEAERO COc1cc(Cl)c(C)c2c1NC(=[NH2+])N[C@H]2C ZINC000029131425 174988228 /nfs/dbraw/zinc/98/82/28/174988228.db2.gz VZZRHPWRULQIJU-LURJTMIESA-N 1 0 239.706 2.267 10 0 BEAERO COc1cc(OC)c([C@@H]2CCC[NH2+]2)cc1OC ZINC000034956930 175007831 /nfs/dbraw/zinc/00/78/31/175007831.db2.gz XSGKJKOAYLTMCH-JTQLQIEISA-N 1 0 237.299 2.137 10 0 BEAERO COc1cc(OC)c([C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000019967916 175007965 /nfs/dbraw/zinc/00/79/65/175007965.db2.gz LTYZEQZMTRHVIY-ZDUSSCGKSA-N 1 0 239.315 2.368 10 0 BEAERO COc1cc(OC)c2c(c1)OCC[C@@H]2[NH2+]C1CC1 ZINC000036204631 175008418 /nfs/dbraw/zinc/00/84/18/175008418.db2.gz ICRXXAHMEJNXQF-NSHDSACASA-N 1 0 249.310 2.279 10 0 BEAERO COc1cc(OC)cc([C@@H]2[NH2+]CC[C@@H]2C)c1 ZINC000003733622 175010962 /nfs/dbraw/zinc/01/09/62/175010962.db2.gz NTHVLEJLYWYEJT-TVQRCGJNSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cc(OC)cc([C@]2(C)CCC[NH2+]2)c1 ZINC000083020882 175011605 /nfs/dbraw/zinc/01/16/05/175011605.db2.gz RDVNTFWMOGQYGE-ZDUSSCGKSA-N 1 0 221.300 2.302 10 0 BEAERO COc1cc([C@@H](C)[NH3+])cc(Cl)c1OC ZINC000037895597 175012925 /nfs/dbraw/zinc/01/29/25/175012925.db2.gz WPBZHCJLHYAOAN-ZCFIWIBFSA-N 1 0 215.680 2.377 10 0 BEAERO COc1cc([C@@H](C)OCC[NH3+])c(OC)cc1C ZINC000071549502 175014206 /nfs/dbraw/zinc/01/42/06/175014206.db2.gz WTOMZGSWVVFQPM-SNVBAGLBSA-N 1 0 239.315 2.049 10 0 BEAERO COc1cc([C@@H]2C[C@H](C)C[NH2+]2)c(C)cc1O ZINC000003705263 175015008 /nfs/dbraw/zinc/01/50/08/175015008.db2.gz IPOUCMSEJCUHPX-KWQFWETISA-N 1 0 221.300 2.380 10 0 BEAERO COc1cc([C@H](C)[NH2+]C2CC2)ccc1O ZINC000022145471 175016045 /nfs/dbraw/zinc/01/60/45/175016045.db2.gz HHWYGGWWEGLTCE-QMMMGPOBSA-N 1 0 207.273 2.214 10 0 BEAERO COc1cc2c(c(C(C)(C)C)c1)OC[C@@H]2[NH3+] ZINC000035652776 175019236 /nfs/dbraw/zinc/01/92/36/175019236.db2.gz MLQJKWZWQUVLQS-NSHDSACASA-N 1 0 221.300 2.385 10 0 BEAERO COc1cc2c(c(OC)c1)[C@H](C1CC1)[NH2+]CC2 ZINC000052095649 175020472 /nfs/dbraw/zinc/02/04/72/175020472.db2.gz QOQLYRQKDQSEAX-AWEZNQCLSA-N 1 0 233.311 2.301 10 0 BEAERO COc1cc2c(cc1OC)[C@@H]([NH3+])C[C@H]2C ZINC000041216116 175025962 /nfs/dbraw/zinc/02/59/62/175025962.db2.gz BRJYCLBCIIEMID-XCBNKYQSSA-N 1 0 207.273 2.211 10 0 BEAERO COc1ccc(-c2csc(C[NH3+])n2)cc1F ZINC000003710482 175037769 /nfs/dbraw/zinc/03/77/69/175037769.db2.gz IJWQOCMKWKIZKP-UHFFFAOYSA-N 1 0 238.287 2.417 10 0 BEAERO COc1ccc(/C(C)=C/C[NH3+])c(OC)c1 ZINC000069049635 175045729 /nfs/dbraw/zinc/04/57/29/175045729.db2.gz OEEHJFOHPIHOSX-RMKNXTFCSA-N 1 0 207.273 2.066 10 0 BEAERO COc1ccc(Br)cc1C1C[NH2+]C1 ZINC000071551272 175050832 /nfs/dbraw/zinc/05/08/32/175050832.db2.gz QUSJNFJPYYYDOP-UHFFFAOYSA-N 1 0 242.116 2.145 10 0 BEAERO COc1ccc(Br)cc1[C@H]1C[C@H]1[NH3+] ZINC000037381719 175051018 /nfs/dbraw/zinc/05/10/18/175051018.db2.gz UGKJUJQEBHSVRC-VXNVDRBHSA-N 1 0 242.116 2.272 10 0 BEAERO COc1ccc(Br)cc1C[C@@H](C)[NH3+] ZINC000036894208 175051113 /nfs/dbraw/zinc/05/11/13/175051113.db2.gz NVKSCAJMYWSWJP-SSDOTTSWSA-N 1 0 244.132 2.347 10 0 BEAERO COc1ccc(Br)cc1C[C@H](C)[NH3+] ZINC000036894207 175051486 /nfs/dbraw/zinc/05/14/86/175051486.db2.gz NVKSCAJMYWSWJP-ZETCQYMHSA-N 1 0 244.132 2.347 10 0 BEAERO COc1ccc(C(=O)CC[NH2+]C2CC2)cc1F ZINC000049828574 175053445 /nfs/dbraw/zinc/05/34/45/175053445.db2.gz KULCZUMIRUDRSO-UHFFFAOYSA-N 1 0 237.274 2.159 10 0 BEAERO COc1ccc(C(=O)CC[NH2+]C(C)C)cc1F ZINC000049829671 175053557 /nfs/dbraw/zinc/05/35/57/175053557.db2.gz GDNYHUBUOIGZGR-UHFFFAOYSA-N 1 0 239.290 2.405 10 0 BEAERO COc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1Cl ZINC000036164263 175065035 /nfs/dbraw/zinc/06/50/35/175065035.db2.gz LWMHNPWILCUUDC-JTQLQIEISA-N 1 0 239.702 2.283 10 0 BEAERO COc1ccc(C(=O)[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000074368578 175065526 /nfs/dbraw/zinc/06/55/26/175065526.db2.gz KPCDJKQDIAWUCD-LBPRGKRZSA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(C(=O)[C@H]2CCCC[NH2+]2)cc1F ZINC000082607482 175066135 /nfs/dbraw/zinc/06/61/35/175066135.db2.gz PSOURYTWIKQGBH-LLVKDONJSA-N 1 0 237.274 2.159 10 0 BEAERO COc1ccc(C)cc1CC[NH2+]C1CC1 ZINC000053302513 175075123 /nfs/dbraw/zinc/07/51/23/175075123.db2.gz APLHSLKLERFRNQ-UHFFFAOYSA-N 1 0 205.301 2.298 10 0 BEAERO COc1ccc(C)cc1NCCC[NH+](C)C ZINC000041241351 175078263 /nfs/dbraw/zinc/07/82/63/175078263.db2.gz FWIFEHBNTWAFIS-UHFFFAOYSA-N 1 0 222.332 2.367 10 0 BEAERO COc1ccc(C)cc1[C@@H]1C[NH2+]CCCO1 ZINC000035598737 175080390 /nfs/dbraw/zinc/08/03/90/175080390.db2.gz NBOUKHFGIRDHBI-ZDUSSCGKSA-N 1 0 221.300 2.055 10 0 BEAERO COc1ccc(C)cc1[C@@H]1C[NH2+][C@H](C)CO1 ZINC000036673450 175080452 /nfs/dbraw/zinc/08/04/52/175080452.db2.gz ZPBUEGBBIKKHAP-MFKMUULPSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc(C)cc1[C@H](C[NH3+])N(C)CC1CC1 ZINC000077424053 175082289 /nfs/dbraw/zinc/08/22/89/175082289.db2.gz AZCMZPQPPANWAA-AWEZNQCLSA-N 1 0 248.370 2.345 10 0 BEAERO COc1ccc(C)cc1[C@H](CCC[NH3+])OC ZINC000049819455 175082340 /nfs/dbraw/zinc/08/23/40/175082340.db2.gz PUYYVVZRYMFANH-LBPRGKRZSA-N 1 0 223.316 2.430 10 0 BEAERO COc1ccc(C2(C)C[NH2+]C2)cc1Cl ZINC000071518400 175083799 /nfs/dbraw/zinc/08/37/99/175083799.db2.gz BWLDZJXFAGRVSL-UHFFFAOYSA-N 1 0 211.692 2.210 10 0 BEAERO COc1ccc(CCC[C@@H](C)[NH3+])cc1OC ZINC000041242672 175089118 /nfs/dbraw/zinc/08/91/18/175089118.db2.gz TVRNSGXDJOYLLE-SNVBAGLBSA-N 1 0 223.316 2.374 10 0 BEAERO COc1ccc(CN(CC[NH3+])C(C)C)cc1C ZINC000076619643 175097496 /nfs/dbraw/zinc/09/74/96/175097496.db2.gz HATFQDWCOGFFNM-UHFFFAOYSA-N 1 0 236.359 2.173 10 0 BEAERO COc1ccc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000234926990 175100740 /nfs/dbraw/zinc/10/07/40/175100740.db2.gz HVVBEFPZPBVKJE-TZMCWYRMSA-N 1 0 248.370 2.254 10 0 BEAERO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C)cc1 ZINC000044562173 175107305 /nfs/dbraw/zinc/10/73/05/175107305.db2.gz GEBMYPGULXMIHM-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO COc1ccc(CO[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000050503347 175114072 /nfs/dbraw/zinc/11/40/72/175114072.db2.gz ZYJRRSTWRICOTL-STQMWFEESA-N 1 0 221.300 2.092 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])c2cccn2C)cc1 ZINC000011848713 175115651 /nfs/dbraw/zinc/11/56/51/175115651.db2.gz WEKUWTFKJAGFTR-CYBMUJFWSA-N 1 0 230.311 2.276 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])C(C)C)cc1F ZINC000053818008 175115940 /nfs/dbraw/zinc/11/59/40/175115940.db2.gz IHFJNSZMMHNQEE-LLVKDONJSA-N 1 0 211.280 2.360 10 0 BEAERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000134236940 175117088 /nfs/dbraw/zinc/11/70/88/175117088.db2.gz TUUQARVAMJHLRY-HUBLWGQQSA-N 1 0 249.354 2.393 10 0 BEAERO COc1ccc(C[C@H]([NH3+])Cc2cncs2)cc1 ZINC000096962494 175117136 /nfs/dbraw/zinc/11/71/36/175117136.db2.gz LYALXPPLLYKSCM-NSHDSACASA-N 1 0 248.351 2.264 10 0 BEAERO COc1ccc(C[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000041266225 175117708 /nfs/dbraw/zinc/11/77/08/175117708.db2.gz JMFFEMGYIRXIGG-GFCCVEGCSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(Cl)c(N[C@H]2CC[N@H+](C)C2)c1 ZINC000061989672 175118808 /nfs/dbraw/zinc/11/88/08/175118808.db2.gz MFXNQILZKOWBLC-VIFPVBQESA-N 1 0 240.734 2.465 10 0 BEAERO COc1ccc(Cl)cc1[C@@H](O)[C@H]([NH3+])C(C)C ZINC000071558229 175122240 /nfs/dbraw/zinc/12/22/40/175122240.db2.gz PFOOKDWRAHLAMD-VXGBXAGGSA-N 1 0 243.734 2.365 10 0 BEAERO COc1ccc(F)c(CC2CC[NH2+]CC2)c1 ZINC000034751111 175124280 /nfs/dbraw/zinc/12/42/80/175124280.db2.gz IINFVMTZGXTPFP-UHFFFAOYSA-N 1 0 223.291 2.376 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])c1cccnc1 ZINC000034957094 175132704 /nfs/dbraw/zinc/13/27/04/175132704.db2.gz KPTTVYXBZHLADU-ZDUSSCGKSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccc(F)cc1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000077303199 175133803 /nfs/dbraw/zinc/13/38/03/175133803.db2.gz SHLAHWHQAJKNAX-PSASIEDQSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc(NC(=O)C2([NH3+])CCCC2)cc1C ZINC000049532033 175140804 /nfs/dbraw/zinc/14/08/04/175140804.db2.gz CXTFPXVTRQGPAB-UHFFFAOYSA-N 1 0 248.326 2.214 10 0 BEAERO COc1ccc(NCCC[NH+](C)C)cc1OC ZINC000041280528 175150840 /nfs/dbraw/zinc/15/08/40/175150840.db2.gz SZIZHMCYVJCHSL-UHFFFAOYSA-N 1 0 238.331 2.067 10 0 BEAERO COc1ccc(NCC2CC[NH2+]CC2)cc1 ZINC000041234283 175151058 /nfs/dbraw/zinc/15/10/58/175151058.db2.gz ZHKWGTRPUMGMOD-UHFFFAOYSA-N 1 0 220.316 2.107 10 0 BEAERO COc1ccc(N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000037208584 175153469 /nfs/dbraw/zinc/15/34/69/175153469.db2.gz RVNIBTWOIABYIG-NWDGAFQWSA-N 1 0 249.358 2.232 10 0 BEAERO COc1ccc(N[C@H](C[NH3+])C(C)C)cc1 ZINC000026442832 175155513 /nfs/dbraw/zinc/15/55/13/175155513.db2.gz DFACKGWGILCWAI-GFCCVEGCSA-N 1 0 208.305 2.090 10 0 BEAERO COc1ccc(OC)c(CC[C@@H](C)C[NH3+])c1 ZINC000011631479 175165607 /nfs/dbraw/zinc/16/56/07/175165607.db2.gz PBLUWYZYSOUDOZ-SNVBAGLBSA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(OC)c(CC[C@H](C)C[NH3+])c1 ZINC000011631480 175165805 /nfs/dbraw/zinc/16/58/05/175165805.db2.gz PBLUWYZYSOUDOZ-JTQLQIEISA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(OC)c(C[C@H](C)[NH+](C)C)c1 ZINC000006020978 175166511 /nfs/dbraw/zinc/16/65/11/175166511.db2.gz AZSJYUNXTSRXEI-JTQLQIEISA-N 1 0 223.316 2.196 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])[C@@H]2C[C@@H]2C)c1 ZINC000019967532 175167914 /nfs/dbraw/zinc/16/79/14/175167914.db2.gz GRLDNURJYBKDQY-PLMOITTCSA-N 1 0 221.300 2.360 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])[C@H]2C[C@@H]2C)c1 ZINC000019967534 175168276 /nfs/dbraw/zinc/16/82/76/175168276.db2.gz GRLDNURJYBKDQY-FWDPORAESA-N 1 0 221.300 2.360 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])C(C)C)c1 ZINC000019967562 175168447 /nfs/dbraw/zinc/16/84/47/175168447.db2.gz CPFFRWSVRNWYTM-LBPRGKRZSA-N 1 0 209.289 2.360 10 0 BEAERO COc1ccc(OC)c([C@H]2CC[NH2+][C@H]2C)c1 ZINC000051954181 175168618 /nfs/dbraw/zinc/16/86/18/175168618.db2.gz GJFVUUUZGGTNBN-ONGXEEELSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc(OC)c([C@H]([NH3+])c2ccoc2)c1 ZINC000035379800 175168721 /nfs/dbraw/zinc/16/87/21/175168721.db2.gz GPUMTTFQJQWPEB-CYBMUJFWSA-N 1 0 233.267 2.345 10 0 BEAERO COc1ccc(OC)c([C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000079902850 175168909 /nfs/dbraw/zinc/16/89/09/175168909.db2.gz UAMNTFVOOIFRPQ-MNOVXSKESA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc(OC)c([C@H]2[NH2+]CC[C@H]2C)c1 ZINC000003733909 175169844 /nfs/dbraw/zinc/16/98/44/175169844.db2.gz XGLJFGWSMCJVIW-RNCFNFMXSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(OC)c2c1CCC[C@@H]2[NH3+] ZINC000001998464 175170803 /nfs/dbraw/zinc/17/08/03/175170803.db2.gz BFKGQFXJSRWVQK-VIFPVBQESA-N 1 0 207.273 2.040 10 0 BEAERO COc1ccc(OCCC[C@H](C)[NH3+])cc1 ZINC000041218759 175172922 /nfs/dbraw/zinc/17/29/22/175172922.db2.gz BSNKBILMEXVERH-JTQLQIEISA-N 1 0 209.289 2.201 10 0 BEAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367683803 175177488 /nfs/dbraw/zinc/17/74/88/175177488.db2.gz DRAWNJSOMYKDTA-QZKOUSHUSA-N 1 0 247.338 2.238 10 0 BEAERO COc1ccc([C@@H](C)O)cc1C[NH+]1CCCC1 ZINC000050682532 175177909 /nfs/dbraw/zinc/17/79/09/175177909.db2.gz JKZRAZAFIIHGQO-LLVKDONJSA-N 1 0 235.327 2.344 10 0 BEAERO COc1ccc([C@@H](C[NH3+])OCC(F)(F)F)cc1 ZINC000042962511 175178146 /nfs/dbraw/zinc/17/81/46/175178146.db2.gz GSESKTHXXNHILS-SNVBAGLBSA-N 1 0 249.232 2.274 10 0 BEAERO COc1ccc([C@@H](C[NH3+])N2CCCCC2)cc1C ZINC000050596469 175178529 /nfs/dbraw/zinc/17/85/29/175178529.db2.gz FBSYJWXPUOTCPR-CQSZACIVSA-N 1 0 248.370 2.489 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2cccnc2)cc1OC ZINC000011737287 175180383 /nfs/dbraw/zinc/18/03/83/175180383.db2.gz XMILNLLZSOEZFQ-CQSZACIVSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc([C@@H](O)C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000042246771 175180761 /nfs/dbraw/zinc/18/07/61/175180761.db2.gz JGAOYEFHNPJWCN-ABAIWWIYSA-N 1 0 249.354 2.459 10 0 BEAERO COc1ccc([C@@H](O)[C@@H](C)[NH+]2CCCC2)cc1 ZINC000001712545 175181170 /nfs/dbraw/zinc/18/11/70/175181170.db2.gz RFEBYZJIZQCSBV-RISCZKNCSA-N 1 0 235.327 2.213 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+][C@@H]2C)cc1F ZINC000077303087 175183623 /nfs/dbraw/zinc/18/36/23/175183623.db2.gz HQBDEDMVVPGGDX-PSASIEDQSA-N 1 0 209.264 2.300 10 0 BEAERO COc1ccc([C@@H]2[NH2+]CCS2)cc1C ZINC000033885551 175185345 /nfs/dbraw/zinc/18/53/45/175185345.db2.gz ICIIFALJCTZJPJ-LLVKDONJSA-N 1 0 209.314 2.339 10 0 BEAERO COc1ccc([C@H](N)[C@@H](C)[N@H+](C)CC2CC2)cc1 ZINC000037925417 175191603 /nfs/dbraw/zinc/19/16/03/175191603.db2.gz IXKNXVHGBVFMRX-IAQYHMDHSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccc([C@H]([NH3+])CN2CCCCC2)cc1 ZINC000019821424 175191758 /nfs/dbraw/zinc/19/17/58/175191758.db2.gz VYIWEJLHONGZLP-CQSZACIVSA-N 1 0 234.343 2.181 10 0 BEAERO COc1ccc([C@H]([NH3+])c2cccnc2)c(F)c1 ZINC000036766568 175192595 /nfs/dbraw/zinc/19/25/95/175192595.db2.gz DUZAYCPXYKCQAR-CYBMUJFWSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccc([C@H]([NH3+])c2cccnc2)cc1OC ZINC000011737288 175192852 /nfs/dbraw/zinc/19/28/52/175192852.db2.gz XMILNLLZSOEZFQ-AWEZNQCLSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)c(OC)c1 ZINC000003704336 175197280 /nfs/dbraw/zinc/19/72/80/175197280.db2.gz GPCUARDWADMSDK-BXKDBHETSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)c(OC)c1 ZINC000003704335 175197872 /nfs/dbraw/zinc/19/78/72/175197872.db2.gz GPCUARDWADMSDK-JOYOIKCWSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@H]2[C@@H](C[NH3+])C2(C)C)cc1OC ZINC000076682591 175198553 /nfs/dbraw/zinc/19/85/53/175198553.db2.gz FMNKCRMRHBDCKZ-MFKMUULPSA-N 1 0 235.327 2.402 10 0 BEAERO COc1ccc2[nH]cc(CC[NH+](C)C)c2c1F ZINC000013835553 175202762 /nfs/dbraw/zinc/20/27/62/175202762.db2.gz CTEKFOKTEGQYLO-UHFFFAOYSA-N 1 0 236.290 2.420 10 0 BEAERO COc1ccc2c(c1)CC[C@H](n1ccnc1)[C@@H]2[NH3+] ZINC000019264104 175209667 /nfs/dbraw/zinc/20/96/67/175209667.db2.gz ZXNARMDEXQMJAQ-UONOGXRCSA-N 1 0 243.310 2.079 10 0 BEAERO COc1ccc2c(c1)C[C@]1([NH3+])CC[C@H]2C1 ZINC000027549226 175211858 /nfs/dbraw/zinc/21/18/58/175211858.db2.gz RJCPFAQZMAOKDN-ZANVPECISA-N 1 0 203.285 2.216 10 0 BEAERO COc1ccc2c(c1)[C@H](C1CCOCC1)[NH2+]CC2 ZINC000083695895 175215337 /nfs/dbraw/zinc/21/53/37/175215337.db2.gz UYJPRSISSPDEJP-HNNXBMFYSA-N 1 0 247.338 2.309 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](C)CS2 ZINC000035755411 175215953 /nfs/dbraw/zinc/21/59/53/175215953.db2.gz NGGXCQUQFDAAHV-RDDDGLTNSA-N 1 0 209.314 2.437 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH3+])CC1(CCC1)O2 ZINC000095616563 175216110 /nfs/dbraw/zinc/21/61/10/175216110.db2.gz CEYIVUSYTKCSHN-LLVKDONJSA-N 1 0 219.284 2.400 10 0 BEAERO COc1ccc2c(c1)nc([C@H](C)C[NH3+])n2C1CC1 ZINC000076015286 175220196 /nfs/dbraw/zinc/22/01/96/175220196.db2.gz SRIXFTUZODTQFM-SECBINFHSA-N 1 0 245.326 2.442 10 0 BEAERO COc1ccc2oc(C)c(CC[NH3+])c2c1 ZINC000002012056 175231122 /nfs/dbraw/zinc/23/11/22/175231122.db2.gz MHGCOBSOOYSFIT-UHFFFAOYSA-N 1 0 205.257 2.251 10 0 BEAERO COc1cccc(-c2ncc(C[NH2+]C3CC3)[nH]2)c1 ZINC000062821406 175236007 /nfs/dbraw/zinc/23/60/07/175236007.db2.gz OJAPTQRJDCNETP-UHFFFAOYSA-N 1 0 243.310 2.337 10 0 BEAERO COc1cccc(C(=O)CC[NH2+]C(C)C)c1 ZINC000049818366 175242277 /nfs/dbraw/zinc/24/22/77/175242277.db2.gz MQWMHXGEEXSWBO-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO COc1cccc(CC[NH2+]Cc2ccc[nH]2)c1 ZINC000083357521 175252664 /nfs/dbraw/zinc/25/26/64/175252664.db2.gz KJJPREFITPXJIR-UHFFFAOYSA-N 1 0 230.311 2.356 10 0 BEAERO COc1cccc(CC[NH2+][C@@H](C)c2cn[nH]c2)c1 ZINC000295841860 175252747 /nfs/dbraw/zinc/25/27/47/175252747.db2.gz FQQWOVKEMMUEGB-NSHDSACASA-N 1 0 245.326 2.312 10 0 BEAERO COc1cccc(CC[C@H]2CCC[NH2+]2)c1 ZINC000041213837 175254031 /nfs/dbraw/zinc/25/40/31/175254031.db2.gz JFIISBPEFKMTNP-GFCCVEGCSA-N 1 0 205.301 2.380 10 0 BEAERO COc1cccc(CN(C)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000062911581 175255342 /nfs/dbraw/zinc/25/53/42/175255342.db2.gz MNKXPHUOHUXXHC-HNNXBMFYSA-N 1 0 248.370 2.127 10 0 BEAERO COc1cccc(CNC2=[NH+][C@H](C)CS2)c1 ZINC000038078036 175263354 /nfs/dbraw/zinc/26/33/54/175263354.db2.gz OOGJCSJSDASYHU-SECBINFHSA-N 1 0 236.340 2.276 10 0 BEAERO COc1cccc(C[NH2+][C@H]2CCCCC[C@H]2O)c1 ZINC000037894669 175268283 /nfs/dbraw/zinc/26/82/83/175268283.db2.gz RBAYPPJASAEPCM-LSDHHAIUSA-N 1 0 249.354 2.478 10 0 BEAERO COc1cccc(C[C@@H]([NH3+])Cc2cccnc2)c1 ZINC000060707424 175271313 /nfs/dbraw/zinc/27/13/13/175271313.db2.gz NEBDUYKDVPCCIQ-CQSZACIVSA-N 1 0 242.322 2.203 10 0 BEAERO COc1cccc(C[C@H](C)[NH3+])c1OCC1CC1 ZINC000037727816 175271944 /nfs/dbraw/zinc/27/19/44/175271944.db2.gz GPNVAHSGLNZBTH-JTQLQIEISA-N 1 0 235.327 2.374 10 0 BEAERO COc1cccc(C[C@H]([NH3+])Cc2ccco2)c1 ZINC000011599711 175272210 /nfs/dbraw/zinc/27/22/10/175272210.db2.gz VSFCHYMAVINCSA-LBPRGKRZSA-N 1 0 231.295 2.401 10 0 BEAERO COc1cccc(C[C@H]([NH3+])c2ccccn2)c1 ZINC000053816988 175272684 /nfs/dbraw/zinc/27/26/84/175272684.db2.gz HWKPDUSKRKSPGV-ZDUSSCGKSA-N 1 0 228.295 2.333 10 0 BEAERO COc1cccc(C[C@H]2CCC[C@H]2[NH3+])c1 ZINC000006780120 175272743 /nfs/dbraw/zinc/27/27/43/175272743.db2.gz KGYOHEQHPLVXPU-DGCLKSJQSA-N 1 0 205.301 2.365 10 0 BEAERO COc1cccc(Cc2nc(CC[NH3+])cs2)c1 ZINC000041301427 175272872 /nfs/dbraw/zinc/27/28/72/175272872.db2.gz SMSSIURIWNYZRR-UHFFFAOYSA-N 1 0 248.351 2.244 10 0 BEAERO COc1cccc(Cc2nnc([C@@H](C)[NH3+])s2)c1 ZINC000088810782 175273144 /nfs/dbraw/zinc/27/31/44/175273144.db2.gz PFIPJRPXCHKNDZ-MRVPVSSYSA-N 1 0 249.339 2.157 10 0 BEAERO COc1cccc(N(C)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000062948982 175274937 /nfs/dbraw/zinc/27/49/37/175274937.db2.gz XUXFTDSEZFFQPC-DGCLKSJQSA-N 1 0 234.343 2.272 10 0 BEAERO COc1cccc(N2CCC[NH2+][C@@H](C)CC2)c1 ZINC000049665490 175275210 /nfs/dbraw/zinc/27/52/10/175275210.db2.gz ZVZPEJIXNWUESE-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO COc1cccc(OCC[C@H]([NH3+])C2CC2)c1 ZINC000032013982 175283295 /nfs/dbraw/zinc/28/32/95/175283295.db2.gz SDXSSVCAGPCZSV-ZDUSSCGKSA-N 1 0 221.300 2.201 10 0 BEAERO COc1cccc(SC[C@H]2CC[NH2+]C2)c1 ZINC000051890834 175285770 /nfs/dbraw/zinc/28/57/70/175285770.db2.gz IXWKKBXDKOKDMX-JTQLQIEISA-N 1 0 223.341 2.397 10 0 BEAERO COc1cccc([C@@H]([C@H](C)[NH3+])N(C)C2CC2)c1 ZINC000043026203 175289675 /nfs/dbraw/zinc/28/96/75/175289675.db2.gz NXTLNWWUAFRGCE-IINYFYTJSA-N 1 0 234.343 2.178 10 0 BEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C2CC2)c1 ZINC000043026206 175290240 /nfs/dbraw/zinc/29/02/40/175290240.db2.gz NXTLNWWUAFRGCE-QMTHXVAHSA-N 1 0 234.343 2.178 10 0 BEAERO COc1cccc([C@@H]2C[NH2+]CCS2)c1 ZINC000041218901 175291174 /nfs/dbraw/zinc/29/11/74/175291174.db2.gz UZPFXPXQLTUAKF-NSHDSACASA-N 1 0 209.314 2.073 10 0 BEAERO COc1cccc([C@H]([NH3+])C(C)C)c1OC ZINC000084388800 175293864 /nfs/dbraw/zinc/29/38/64/175293864.db2.gz CLUGXDVCZWRSBO-LLVKDONJSA-N 1 0 209.289 2.360 10 0 BEAERO COc1cccc([C@H](C[NH3+])N(C)CC2CC2)c1 ZINC000020225831 175294029 /nfs/dbraw/zinc/29/40/29/175294029.db2.gz ZUQNKRMCAAIEIO-AWEZNQCLSA-N 1 0 234.343 2.037 10 0 BEAERO COc1cccc([C@H](CN)[N@H+](C)[C@H](C)C2CC2)c1 ZINC000036783326 175294580 /nfs/dbraw/zinc/29/45/80/175294580.db2.gz QBLXGLNOIHHUEP-ABAIWWIYSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@H]([NH3+])c2cccn2C)c1 ZINC000011848702 175294942 /nfs/dbraw/zinc/29/49/42/175294942.db2.gz ODKJAZLAOBDMHB-ZDUSSCGKSA-N 1 0 216.284 2.082 10 0 BEAERO COc1cccc([C@H]([C@H](C)[NH3+])N(C)CC2CC2)c1 ZINC000043027314 175295864 /nfs/dbraw/zinc/29/58/64/175295864.db2.gz UGBKHBWSXSVVPJ-NHYWBVRUSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@](O)(C[NH2+]C2CC2)C2CC2)c1 ZINC000049835635 175297061 /nfs/dbraw/zinc/29/70/61/175297061.db2.gz NTCKJRUKLZYBLU-HNNXBMFYSA-N 1 0 247.338 2.045 10 0 BEAERO COc1cccc([C@](C)([NH3+])c2cncc(F)c2)c1 ZINC000049576013 175297083 /nfs/dbraw/zinc/29/70/83/175297083.db2.gz RYWIVRTWVSUMCE-AWEZNQCLSA-N 1 0 246.285 2.452 10 0 BEAERO COc1cccc2c1CC[NH2+][C@H]2C1CC1 ZINC000011598019 175302876 /nfs/dbraw/zinc/30/28/76/175302876.db2.gz MHYKTDZIGKYPBS-ZDUSSCGKSA-N 1 0 203.285 2.292 10 0 BEAERO COc1cccc2c1C[C@H]1[NH2+]CCC[C@H]1C2 ZINC000034204384 175303090 /nfs/dbraw/zinc/30/30/90/175303090.db2.gz RGBKZQPQBJSBKO-WCQYABFASA-N 1 0 217.312 2.162 10 0 BEAERO COc1cccc2c1SC[C@@H](C)[C@H]2[NH3+] ZINC000041030732 175305144 /nfs/dbraw/zinc/30/51/44/175305144.db2.gz AMCIBBNBXJISTB-GMSGAONNSA-N 1 0 209.314 2.437 10 0 BEAERO COc1cccc2c3c([nH]c21)C=[NH+]CC3 ZINC000011919626 175306429 /nfs/dbraw/zinc/30/64/29/175306429.db2.gz LIUNAKJFUYIJFE-UHFFFAOYSA-N 1 0 200.241 2.152 10 0 in-vivo BEAERO COc1ccccc1-c1ncc(C[NH2+]C2CC2)[nH]1 ZINC000062821410 175310417 /nfs/dbraw/zinc/31/04/17/175310417.db2.gz AZFJAUXICQEHPY-UHFFFAOYSA-N 1 0 243.310 2.337 10 0 BEAERO COc1ccccc1-c1nc([C@@H](C)[NH3+])c[nH]1 ZINC000082517049 175310908 /nfs/dbraw/zinc/31/09/08/175310908.db2.gz PTVCCQUBUZROIA-MRVPVSSYSA-N 1 0 217.272 2.105 10 0 BEAERO COc1ccccc1-c1n[nH]c2c1C[N@H+](C)CC2 ZINC000082807632 175311105 /nfs/dbraw/zinc/31/11/05/175311105.db2.gz LEUSCWWBRWWRIP-UHFFFAOYSA-N 1 0 243.310 2.073 10 0 BEAERO COc1ccccc1-n1ncc(CCC[NH3+])c1C ZINC000062606216 175312661 /nfs/dbraw/zinc/31/26/61/175312661.db2.gz ACZIMFMUIWZBAO-UHFFFAOYSA-N 1 0 245.326 2.081 10 0 BEAERO COc1ccccc1C1(F)CC[NH2+]CC1 ZINC000107150461 175320492 /nfs/dbraw/zinc/32/04/92/175320492.db2.gz QGRAAGLLDUYJDP-UHFFFAOYSA-N 1 0 209.264 2.243 10 0 BEAERO COc1ccccc1CN1CC(C)(C)[NH2+]C[C@@H]1C ZINC000041302226 175326564 /nfs/dbraw/zinc/32/65/64/175326564.db2.gz VONNYKBLPIEZIU-LBPRGKRZSA-N 1 0 248.370 2.268 10 0 BEAERO COc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000152307438 175331280 /nfs/dbraw/zinc/33/12/80/175331280.db2.gz BQRYUQBQCZVWMN-KGLIPLIRSA-N 1 0 249.354 2.336 10 0 BEAERO COc1ccccc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000152307584 175331396 /nfs/dbraw/zinc/33/13/96/175331396.db2.gz BQRYUQBQCZVWMN-KBPBESRZSA-N 1 0 249.354 2.336 10 0 BEAERO COc1ccccc1C[C@@]1(C)C[C@H]1C[NH3+] ZINC000054587815 175332805 /nfs/dbraw/zinc/33/28/05/175332805.db2.gz KEUOENRJGHUEOL-AAEUAGOBSA-N 1 0 205.301 2.223 10 0 BEAERO COc1ccccc1C[C@](C)(C[NH3+])N(C)C1CC1 ZINC000037734897 175333673 /nfs/dbraw/zinc/33/36/73/175333673.db2.gz MDEBHFMKLOXHCC-OAHLLOKOSA-N 1 0 248.370 2.049 10 0 BEAERO COc1ccccc1Cc1ncc(C[NH3+])s1 ZINC000040996544 175334869 /nfs/dbraw/zinc/33/48/69/175334869.db2.gz XQHIUYAEVMMLFS-UHFFFAOYSA-N 1 0 234.324 2.201 10 0 BEAERO COc1ccccc1N(C)C[C@]1(C)CC[NH2+]C1 ZINC000062912220 175335561 /nfs/dbraw/zinc/33/55/61/175335561.db2.gz OOQJGIJZFRCIGE-CQSZACIVSA-N 1 0 234.343 2.131 10 0 BEAERO COc1ccccc1N1CCC[NH2+]C[C@H](C)C1 ZINC000049663109 175335969 /nfs/dbraw/zinc/33/59/69/175335969.db2.gz IVVSGTDBVIKPFJ-LBPRGKRZSA-N 1 0 234.343 2.131 10 0 BEAERO COc1ccccc1NC[C@@H]1CCC[NH2+]C1 ZINC000041234286 175338032 /nfs/dbraw/zinc/33/80/32/175338032.db2.gz BDWXBHZYRGCISP-LLVKDONJSA-N 1 0 220.316 2.107 10 0 BEAERO COc1ccccc1N[C@@H](C[NH3+])c1cccnc1 ZINC000057534191 175338720 /nfs/dbraw/zinc/33/87/20/175338720.db2.gz GLLGNZLEAHEVHR-ZDUSSCGKSA-N 1 0 243.310 2.202 10 0 BEAERO COc1ccccc1OCC[C@@H]([NH3+])C(C)C ZINC000032014691 175341473 /nfs/dbraw/zinc/34/14/73/175341473.db2.gz CXVWTZXXGPHLPG-LLVKDONJSA-N 1 0 223.316 2.447 10 0 BEAERO COc1ccccc1OCC[C@@H]([NH3+])C1CC1 ZINC000032013979 175341991 /nfs/dbraw/zinc/34/19/91/175341991.db2.gz QHTBHEWGNGSYEK-LLVKDONJSA-N 1 0 221.300 2.201 10 0 BEAERO COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367626503 175345106 /nfs/dbraw/zinc/34/51/06/175345106.db2.gz OMPZEZXBQQIBOM-ZRJCITRHSA-N 1 0 247.338 2.238 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000082364254 175346868 /nfs/dbraw/zinc/34/68/68/175346868.db2.gz RYVKMRKYAXMVDX-GWCFXTLKSA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C1CC1 ZINC000043097119 175348174 /nfs/dbraw/zinc/34/81/74/175348174.db2.gz ZNJWOMXYNQDUJL-QMTHXVAHSA-N 1 0 234.343 2.178 10 0 BEAERO COc1ccccc1[C@@H]1C[NH2+]CC(C)(C)O1 ZINC000011803120 175348473 /nfs/dbraw/zinc/34/84/73/175348473.db2.gz IHUTXWDIXVHILB-LBPRGKRZSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCCC1 ZINC000043096600 175348732 /nfs/dbraw/zinc/34/87/32/175348732.db2.gz NDMSVXBADPAGEN-SMDDNHRTSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccccc1[C@@](C)(O)C[NH2+]C(C)(C)C ZINC000033466200 175349725 /nfs/dbraw/zinc/34/97/25/175349725.db2.gz GGSUDIMXLZIBHP-AWEZNQCLSA-N 1 0 237.343 2.291 10 0 BEAERO COc1ccccc1[C@H](C)N1CCC([NH3+])CC1 ZINC000020521568 175350632 /nfs/dbraw/zinc/35/06/32/175350632.db2.gz LHFQZJUYORBTPC-NSHDSACASA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000131734162 175351922 /nfs/dbraw/zinc/35/19/22/175351922.db2.gz QSFCUCNEKRQPNN-UTUOFQBUSA-N 1 0 237.343 2.363 10 0 BEAERO COc1ccccc1[C@H]([NH3+])C[C@@H]1CCCO1 ZINC000037466768 175352934 /nfs/dbraw/zinc/35/29/34/175352934.db2.gz DYTYLICZXXAQEH-CMPLNLGQSA-N 1 0 221.300 2.264 10 0 BEAERO COc1ccccc1[C@H]([NH3+])Cc1ccccn1 ZINC000020429148 175353041 /nfs/dbraw/zinc/35/30/41/175353041.db2.gz DWRKSLGDUDSAIF-CYBMUJFWSA-N 1 0 228.295 2.333 10 0 BEAERO COc1ccccc1[C@H]([NH3+])Cn1nc(C)cc1C ZINC000023066710 175353225 /nfs/dbraw/zinc/35/32/25/175353225.db2.gz PMLCWDKWKZWRIC-CYBMUJFWSA-N 1 0 245.326 2.209 10 0 BEAERO COc1ccccc1[C@H]([NH3+])[C@H]1CCSC1 ZINC000082362126 175353707 /nfs/dbraw/zinc/35/37/07/175353707.db2.gz KXIYBQYQQQIUPM-JOYOIKCWSA-N 1 0 223.341 2.448 10 0 BEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C(C)C ZINC000043096729 175354263 /nfs/dbraw/zinc/35/42/63/175354263.db2.gz NUFTWPBEYVUYKN-RISCZKNCSA-N 1 0 236.359 2.424 10 0 BEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])n1ccnc1C ZINC000043098687 175354302 /nfs/dbraw/zinc/35/43/02/175354302.db2.gz BBUVFTPIWHAMQQ-YGRLFVJLSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CC1CC1 ZINC000043097795 175354456 /nfs/dbraw/zinc/35/44/56/175354456.db2.gz DRCUNDYVCOMRHP-ABAIWWIYSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccccc1[C@H](OCC[NH3+])C1CC1 ZINC000071523118 175354481 /nfs/dbraw/zinc/35/44/81/175354481.db2.gz WHYIKZJCVKDDKN-CYBMUJFWSA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccccc1[C@](C)([NH3+])C[C@@H]1CCCO1 ZINC000053757854 175355134 /nfs/dbraw/zinc/35/51/34/175355134.db2.gz PIGSUSLOMFEYRH-SMDDNHRTSA-N 1 0 235.327 2.438 10 0 BEAERO COc1ccsc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000127312700 175378118 /nfs/dbraw/zinc/37/81/18/175378118.db2.gz OMYYZLYQEOHJMW-DTWKUNHWSA-N 1 0 227.329 2.024 10 0 BEAERO COc1ccsc1C[NH2+][C@H]1CCO[C@H]1C ZINC000127313196 175379730 /nfs/dbraw/zinc/37/97/30/175379730.db2.gz OMYYZLYQEOHJMW-IUCAKERBSA-N 1 0 227.329 2.024 10 0 BEAERO COc1c[nH+]c(-c2ccccc2)cc1N ZINC000039117503 175380731 /nfs/dbraw/zinc/38/07/31/175380731.db2.gz OGWAFOUOJWNZBS-UHFFFAOYSA-N 1 0 200.241 2.339 10 0 BEAERO COc1nc(C)c(C[NH2+]C2CCCC2)s1 ZINC000045205492 175389096 /nfs/dbraw/zinc/38/90/96/175389096.db2.gz NIJNLDZSXAILCL-UHFFFAOYSA-N 1 0 226.345 2.492 10 0 BEAERO COc1nc(Cl)c(C[NH2+]C2CC2)s1 ZINC000045206327 175391790 /nfs/dbraw/zinc/39/17/90/175391790.db2.gz DAPWZLGZRCAFEK-UHFFFAOYSA-N 1 0 218.709 2.057 10 0 BEAERO CS[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1[NH3+] ZINC000026837883 175552792 /nfs/dbraw/zinc/55/27/92/175552792.db2.gz YNJHXPKZSMEYTQ-VXGBXAGGSA-N 1 0 237.368 2.285 10 0 BEAERO C[C@@H](C[NH3+])CCC(=O)N[C@H](C)c1ccccc1 ZINC000076617035 175706572 /nfs/dbraw/zinc/70/65/72/175706572.db2.gz JEKBQILRASSCTF-VXGBXAGGSA-N 1 0 234.343 2.239 10 0 BEAERO C[C@@H](C[NH3+])Oc1ccccc1OC(F)(F)F ZINC000095751139 175711678 /nfs/dbraw/zinc/71/16/78/175711678.db2.gz AKTJQMPOKYODPN-ZETCQYMHSA-N 1 0 235.205 2.311 10 0 BEAERO C[C@@H](C[NH3+])c1nc2cc(F)ccc2s1 ZINC000054334441 175713529 /nfs/dbraw/zinc/71/35/29/175713529.db2.gz DSTUDBNZIQPVNU-LURJTMIESA-N 1 0 210.277 2.498 10 0 BEAERO C[C@@H]([NH3+])Cc1sccc1Br ZINC000044411362 175808234 /nfs/dbraw/zinc/80/82/34/175808234.db2.gz XXPGQCAEWNJZIS-RXMQYKEDSA-N 1 0 220.135 2.400 10 0 BEAERO C[C@@H]([NH3+])[C@@H](O)c1ccccc1C(F)(F)F ZINC000020216944 175809310 /nfs/dbraw/zinc/80/93/10/175809310.db2.gz BQGZPODSVVGWQB-HZGVNTEJSA-N 1 0 219.206 2.086 10 0 BEAERO C[C@@H]([NH2+]CCc1nnc2ccccn21)C1(C)CC1 ZINC000037468204 175885625 /nfs/dbraw/zinc/88/56/25/175885625.db2.gz WWZOTVTWVXDDTL-LLVKDONJSA-N 1 0 244.342 2.050 10 0 BEAERO C[C@@H]([NH2+][C@H](c1ncc[nH]1)c1cccnc1)C1CC1 ZINC000194966271 175911398 /nfs/dbraw/zinc/91/13/98/175911398.db2.gz PIVLPBVKEYVKQP-MFKMUULPSA-N 1 0 242.326 2.282 10 0 BEAERO C[C@@H](Nc1cc[nH+]cc1N)c1cccnc1 ZINC000035692038 175934843 /nfs/dbraw/zinc/93/48/43/175934843.db2.gz XIEPPORJCTYHSJ-SECBINFHSA-N 1 0 214.272 2.232 10 0 BEAERO C[C@@H](OCC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095068553 176002307 /nfs/dbraw/zinc/00/23/07/176002307.db2.gz WGVQQMCAQDRNAS-SNVBAGLBSA-N 1 0 208.305 2.092 10 0 BEAERO C[C@@H](OC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068457 176002592 /nfs/dbraw/zinc/00/25/92/176002592.db2.gz VQHGLWLKGRGKBI-MNOVXSKESA-N 1 0 208.305 2.234 10 0 BEAERO C[C@@H](OC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095068471 176003347 /nfs/dbraw/zinc/00/33/47/176003347.db2.gz OSWAQNSASOFTKP-VXGBXAGGSA-N 1 0 220.316 2.301 10 0 BEAERO C[C@@H](Oc1ccccc1Cl)C1=[NH+]CCN1 ZINC000073314283 176006661 /nfs/dbraw/zinc/00/66/61/176006661.db2.gz ARHDCTCZSSOSFG-MRVPVSSYSA-N 1 0 224.691 2.109 10 0 BEAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCOC[C@H]1C ZINC000040908828 176015383 /nfs/dbraw/zinc/01/53/83/176015383.db2.gz JBTNZBHQAFJPSB-MNOVXSKESA-N 1 0 220.316 2.051 10 0 BEAERO C[C@@H](c1cccc(O)c1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070075188 176019251 /nfs/dbraw/zinc/01/92/51/176019251.db2.gz NSIAZYOMYXRCRX-UTUOFQBUSA-N 1 0 234.343 2.135 10 0 BEAERO C[C@@H](c1ccccc1)[C@@H]([NH2+]C1CCCC1)C(N)=O ZINC000041085356 176023301 /nfs/dbraw/zinc/02/33/01/176023301.db2.gz IUMKWPVWNIGIKT-SMDDNHRTSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@@H](c1ccccn1)N(C)[C@H]1CCCC[NH2+]1 ZINC000242463736 176026798 /nfs/dbraw/zinc/02/67/98/176026798.db2.gz DILMUIWNBOBMBE-AAEUAGOBSA-N 1 0 219.332 2.174 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309816576 176051246 /nfs/dbraw/zinc/05/12/46/176051246.db2.gz VJLBWVYMRUFMNW-KVSVUVNWSA-N 1 0 223.360 2.293 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(c2cnn(C)c2)C1 ZINC000043461905 176052138 /nfs/dbraw/zinc/05/21/38/176052138.db2.gz FXAWBLPSAMJFAO-MFKMUULPSA-N 1 0 221.348 2.420 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2cncnc2)C1 ZINC000052887628 176052598 /nfs/dbraw/zinc/05/25/98/176052598.db2.gz NUTAVAIQYWIBHI-ZWNOBZJWSA-N 1 0 219.332 2.477 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@]([NH2+]CC2CC2)(C(N)=O)C1 ZINC000037947021 176052725 /nfs/dbraw/zinc/05/27/25/176052725.db2.gz NAROAVTZINAWIM-YGRLFVJLSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC000042860961 176077011 /nfs/dbraw/zinc/07/70/11/176077011.db2.gz KAYMWPIQIVKFEZ-VXGBXAGGSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CCCC[C@@H]1N(C)c1ncccc1C(N)=[NH2+] ZINC000042607911 176079196 /nfs/dbraw/zinc/07/91/96/176079196.db2.gz YTUIMNOWSLSASU-PWSUYJOCSA-N 1 0 246.358 2.381 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000020052540 176080783 /nfs/dbraw/zinc/08/07/83/176080783.db2.gz LCCRCIDABACCJV-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309112712 176080816 /nfs/dbraw/zinc/08/08/16/176080816.db2.gz KGCDDNZDWPNYNT-KVSVUVNWSA-N 1 0 209.333 2.047 10 0 BEAERO C[C@@H]1CCCC[C@H]1OC(=O)C1([NH3+])CCCC1 ZINC000048633464 176089472 /nfs/dbraw/zinc/08/94/72/176089472.db2.gz WREUVQMIXRTCTA-GHMZBOCLSA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000021952997 176095736 /nfs/dbraw/zinc/09/57/36/176095736.db2.gz PKTIQZCNYCUNOY-LLVKDONJSA-N 1 0 232.327 2.017 10 0 BEAERO C[C@@H]1CCC[N@H+](Cc2ccc(O)c(N)c2)C1 ZINC000037272151 176100814 /nfs/dbraw/zinc/10/08/14/176100814.db2.gz DHSHCFLJQRDAKC-SNVBAGLBSA-N 1 0 220.316 2.206 10 0 BEAERO C[C@@H]1CCCN(c2nc3ccccn3c2C[NH3+])C1 ZINC000035433964 176104049 /nfs/dbraw/zinc/10/40/49/176104049.db2.gz FMBPITMPURTXRR-LLVKDONJSA-N 1 0 244.342 2.029 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N2CCc3ccccc32)[NH2+]1 ZINC000019473945 176112703 /nfs/dbraw/zinc/11/27/03/176112703.db2.gz OKBDVQZEEQZMEZ-YPMHNXCESA-N 1 0 244.338 2.106 10 0 BEAERO C[C@@H]1CCC[C@@H](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000133312974 176117883 /nfs/dbraw/zinc/11/78/83/176117883.db2.gz CNUUGKSCTQCYHI-FRRDWIJNSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000309496863 176118710 /nfs/dbraw/zinc/11/87/10/176118710.db2.gz UAXCEWYSUYNKGI-KSTCHIGDSA-N 1 0 223.360 2.295 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000037152252 176122593 /nfs/dbraw/zinc/12/25/93/176122593.db2.gz QJGTVVGNBKNUBF-IKWCTNDRSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1C ZINC000020055129 176123647 /nfs/dbraw/zinc/12/36/47/176123647.db2.gz FXFPBXHFZDMTOV-IJLUTSLNSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2ccc(O)cc2)C1 ZINC000053114919 176133731 /nfs/dbraw/zinc/13/37/31/176133731.db2.gz YMAZSEYGFCKMNC-IUODEOHRSA-N 1 0 249.354 2.423 10 0 BEAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2ccco2)C1 ZINC000053115448 176133783 /nfs/dbraw/zinc/13/37/83/176133783.db2.gz FKIFQNVIQXVQSR-DGCLKSJQSA-N 1 0 223.316 2.310 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)N2CCc3ccccc32)[NH2+]1 ZINC000019473949 176135411 /nfs/dbraw/zinc/13/54/11/176135411.db2.gz OKBDVQZEEQZMEZ-DGCLKSJQSA-N 1 0 244.338 2.106 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2)[NH2+]1 ZINC000019425533 176136301 /nfs/dbraw/zinc/13/63/01/176136301.db2.gz YGXGPIQISVLDPM-BXKDBHETSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NC(C)(C)C)[C@@H]1C ZINC000020055133 176143251 /nfs/dbraw/zinc/14/32/51/176143251.db2.gz FXFPBXHFZDMTOV-UTUOFQBUSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]Cc2nccn2C)[C@@H]1C ZINC000036804639 176144624 /nfs/dbraw/zinc/14/46/24/176144624.db2.gz YKEVKKSZDXCMAY-UTUOFQBUSA-N 1 0 221.348 2.334 10 0 BEAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)c2ccccc2)C1 ZINC000104322332 176152439 /nfs/dbraw/zinc/15/24/39/176152439.db2.gz NHNVYOYYGKTZON-DOMZBBRYSA-N 1 0 246.354 2.324 10 0 BEAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2cncs2)C1 ZINC000054788483 176152459 /nfs/dbraw/zinc/15/24/59/176152459.db2.gz TUEGWIZIJWOCFW-PWSUYJOCSA-N 1 0 240.372 2.174 10 0 BEAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2cscn2)C1 ZINC000053117432 176152526 /nfs/dbraw/zinc/15/25/26/176152526.db2.gz CICZHGLUYNPLFD-PWSUYJOCSA-N 1 0 240.372 2.174 10 0 BEAERO C[C@@H]1CC[N@H+](C)CCc2ccc(O)cc21 ZINC000169317741 176165927 /nfs/dbraw/zinc/16/59/27/176165927.db2.gz VLUJHVQVULWSPP-SNVBAGLBSA-N 1 0 205.301 2.374 10 0 BEAERO C[C@@H]1CC[N@H+](CCNc2ccccc2)C1 ZINC000040725365 176171214 /nfs/dbraw/zinc/17/12/14/176171214.db2.gz BJICTFMWDFQSET-GFCCVEGCSA-N 1 0 204.317 2.440 10 0 BEAERO C[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000130502883 176175309 /nfs/dbraw/zinc/17/53/09/176175309.db2.gz XJCVAUVTIABIOJ-LLVKDONJSA-N 1 0 216.328 2.496 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H](CN)C2CCCCC2)C1 ZINC000040717150 176180514 /nfs/dbraw/zinc/18/05/14/176180514.db2.gz IYBODBOFRPSTOE-YPMHNXCESA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H](CN)c2cccs2)C1 ZINC000042278831 176180866 /nfs/dbraw/zinc/18/08/66/176180866.db2.gz YZGBRMQWPMUJNZ-ZJUUUORDSA-N 1 0 210.346 2.090 10 0 BEAERO C[C@@H]1CCN(c2ncccc2C[NH2+]C2CC2)C1 ZINC000051448275 176182513 /nfs/dbraw/zinc/18/25/13/176182513.db2.gz IISYFHWIJFUCNL-LLVKDONJSA-N 1 0 231.343 2.180 10 0 BEAERO C[C@@H]1CC[NH2+][C@H](C(=O)NCC2CCCCC2)C1 ZINC000126108172 176187422 /nfs/dbraw/zinc/18/74/22/176187422.db2.gz UZULDVZGGXHSNY-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000126540176 176200347 /nfs/dbraw/zinc/20/03/47/176200347.db2.gz QFBLSUHSBNHLEN-JHJVBQTASA-N 1 0 236.363 2.083 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC1CCCC1 ZINC000055127040 176208322 /nfs/dbraw/zinc/20/83/22/176208322.db2.gz AHIFRQFEYCAMHH-RTXFEEFZSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])CN1CCc1ccccc1 ZINC000040740166 176208664 /nfs/dbraw/zinc/20/86/64/176208664.db2.gz MVOVJUUIDPNHMW-TZMCWYRMSA-N 1 0 218.344 2.041 10 0 BEAERO C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C)c2ccccc21 ZINC000124828978 176231290 /nfs/dbraw/zinc/23/12/90/176231290.db2.gz DJHRVXPZNRMBMQ-RISCZKNCSA-N 1 0 246.354 2.303 10 0 BEAERO C[C@@H]1CCc2cc3c(cc2[C@H]([NH3+])C1)OCCO3 ZINC000061831643 176239245 /nfs/dbraw/zinc/23/92/45/176239245.db2.gz JEJXMFBDOSXIQF-BXKDBHETSA-N 1 0 233.311 2.430 10 0 BEAERO C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000358091782 176277828 /nfs/dbraw/zinc/27/78/28/176277828.db2.gz VWIROWHZCDCPTK-MRVWCRGKSA-N 1 0 246.354 2.050 10 0 BEAERO C[C@@H]1[C@H](C)CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000169616749 176306224 /nfs/dbraw/zinc/30/62/24/176306224.db2.gz NMWRIHNNQCIKCJ-YRGRVCCFSA-N 1 0 218.344 2.102 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2F)CCC[NH2+]1 ZINC000062611088 176307964 /nfs/dbraw/zinc/30/79/64/176307964.db2.gz IROVDISDGCWKKU-LLVKDONJSA-N 1 0 222.307 2.010 10 0 BEAERO C[C@@H]1CCCC[C@]1(CN)[N@@H+]1CCCO[C@H](C)C1 ZINC000061916241 176317250 /nfs/dbraw/zinc/31/72/50/176317250.db2.gz OJTCOTWJVZVHCU-MGPQQGTHSA-N 1 0 240.391 2.005 10 0 BEAERO C[C@@H]1CN(c2ccnc(Cl)c2)C[C@H]1[NH+](C)C ZINC000268146038 176320117 /nfs/dbraw/zinc/32/01/17/176320117.db2.gz DKFUKBFILGTRLY-MWLCHTKSSA-N 1 0 239.750 2.121 10 0 BEAERO C[C@@H]1CN(c2nc3ccccc3o2)C[C@@]1(C)C[NH3+] ZINC000311010377 176321074 /nfs/dbraw/zinc/32/10/74/176321074.db2.gz LSBKPIFRILOKBP-QMTHXVAHSA-N 1 0 245.326 2.249 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccsc1 ZINC000072324635 176322925 /nfs/dbraw/zinc/32/29/25/176322925.db2.gz OENMGDLWRDXQIX-DGCLKSJQSA-N 1 0 236.384 2.417 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2ccc(N(C)C)cc2)C1 ZINC000083008497 176329997 /nfs/dbraw/zinc/32/99/97/176329997.db2.gz LMVKSJQVKNHHOX-WCQYABFASA-N 1 0 218.344 2.466 10 0 BEAERO C[C@@H]1COCCN1C1(C[NH3+])CCCCCCC1 ZINC000035774937 176335767 /nfs/dbraw/zinc/33/57/67/176335767.db2.gz WBYAJKNKJKPFCE-CYBMUJFWSA-N 1 0 240.391 2.149 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])[C@@H](C)N(Cc2ccccc2)C1 ZINC000101417867 176370982 /nfs/dbraw/zinc/37/09/82/176370982.db2.gz MPGWATXLKGPBOP-YRGRVCCFSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC1CCCC1 ZINC000055127064 176371710 /nfs/dbraw/zinc/37/17/10/176371710.db2.gz NYRCRAYRHQXYDQ-WXHSDQCUSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000190952093 176404926 /nfs/dbraw/zinc/40/49/26/176404926.db2.gz JGUKRVQZKVZLJO-YPMHNXCESA-N 1 0 227.311 2.370 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000300908321 176447213 /nfs/dbraw/zinc/44/72/13/176447213.db2.gz JRUYUNUHWYPYFL-UTUOFQBUSA-N 1 0 209.333 2.334 10 0 BEAERO C[C@@]1(c2cccc3ccccc32)C[C@@]1(C[NH3+])CO ZINC000070553591 176547553 /nfs/dbraw/zinc/54/75/53/176547553.db2.gz RNROLULQPWSLLF-JKSUJKDBSA-N 1 0 241.334 2.439 10 0 BEAERO C[C@@]1(c2ccccc2)CCSC(=[NH2+])N1 ZINC000039221084 176547927 /nfs/dbraw/zinc/54/79/27/176547927.db2.gz JLGLPAHFIFVDIC-NSHDSACASA-N 1 0 206.314 2.353 10 0 BEAERO C[C@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000108943355 176599710 /nfs/dbraw/zinc/59/97/10/176599710.db2.gz FLOPEOJCLSUMJC-NEPJUHHUSA-N 1 0 240.391 2.317 10 0 BEAERO C[C@H](CC1CC1)NC(=O)CCC1CC[NH2+]CC1 ZINC000070103667 176611542 /nfs/dbraw/zinc/61/15/42/176611542.db2.gz MCYJSADLLLHNPE-LLVKDONJSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[C@H]1O ZINC000251066231 176641788 /nfs/dbraw/zinc/64/17/88/176641788.db2.gz DINUHYSURMBVMU-YRGRVCCFSA-N 1 0 237.343 2.351 10 0 BEAERO C[C@H](C[NH3+])CNc1ccnc(C(F)(F)F)c1 ZINC000304237921 176658910 /nfs/dbraw/zinc/65/89/10/176658910.db2.gz CKFWRFTZOPUDRF-SSDOTTSWSA-N 1 0 233.237 2.107 10 0 BEAERO C[C@H](C[NH3+])CSc1nc2ccccc2[nH]1 ZINC000035723629 176659004 /nfs/dbraw/zinc/65/90/04/176659004.db2.gz ZCBXENPHCILGRZ-MRVPVSSYSA-N 1 0 221.329 2.250 10 0 BEAERO C[C@H](C[NH+]1CCCC1)Nc1cccc(N)c1 ZINC000042598591 176664614 /nfs/dbraw/zinc/66/46/14/176664614.db2.gz KEQORDSHZRFNHW-LLVKDONJSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@H]([NH3+])CCn1cc(-c2ccccc2)cn1 ZINC000054961291 176759930 /nfs/dbraw/zinc/75/99/30/176759930.db2.gz UALJTYOKWXLRSY-NSHDSACASA-N 1 0 215.300 2.287 10 0 BEAERO C[C@H]([NH3+])Cc1csc(Br)c1 ZINC000083303993 176762346 /nfs/dbraw/zinc/76/23/46/176762346.db2.gz XNZQNYWSOHBKDJ-YFKPBYRVSA-N 1 0 220.135 2.400 10 0 BEAERO C[C@H]([NH3+])Cc1cnc(-c2cccs2)nc1 ZINC000054857814 176762534 /nfs/dbraw/zinc/76/25/34/176762534.db2.gz HSAXOTZZABVHKF-QMMMGPOBSA-N 1 0 219.313 2.095 10 0 BEAERO C[C@H]([NH3+])[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000020216851 176764722 /nfs/dbraw/zinc/76/47/22/176764722.db2.gz ZLZXLGAAIQXPKW-IMTBSYHQSA-N 1 0 219.206 2.086 10 0 BEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000040853900 176793259 /nfs/dbraw/zinc/79/32/59/176793259.db2.gz CXGISIJRPJCLDB-BDAKNGLRSA-N 1 0 240.734 2.255 10 0 BEAERO C[C@H]([NH2+]CC(C)(C)C)C(=O)N1CCCCC1 ZINC000040493678 176833800 /nfs/dbraw/zinc/83/38/00/176833800.db2.gz JMNFLIPOIZOEMO-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO C[C@H]([NH2+]Cc1[nH]nnc1-c1ccccc1)C1CC1 ZINC000104365224 176872523 /nfs/dbraw/zinc/87/25/23/176872523.db2.gz VDVCVOOAOBQQSJ-JTQLQIEISA-N 1 0 242.326 2.360 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccn1 ZINC000231634798 176895138 /nfs/dbraw/zinc/89/51/38/176895138.db2.gz PRMXIGTZMDONRN-OUCADQQQSA-N 1 0 234.343 2.283 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccnc1 ZINC000092751276 176895456 /nfs/dbraw/zinc/89/54/56/176895456.db2.gz BMWILGRRLHXLQZ-IACUBPJLSA-N 1 0 234.343 2.283 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cscn1 ZINC000252788101 176920441 /nfs/dbraw/zinc/92/04/41/176920441.db2.gz JQXBHYOYZBRUHQ-ATZCPNFKSA-N 1 0 226.345 2.097 10 0 BEAERO C[C@H](O)c1ccccc1NC1CC[NH+](C)CC1 ZINC000049541993 177018093 /nfs/dbraw/zinc/01/80/93/177018093.db2.gz BTJCTKFTQHEQJD-NSHDSACASA-N 1 0 234.343 2.246 10 0 BEAERO C[C@H]([C@@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000022564790 177030634 /nfs/dbraw/zinc/03/06/34/177030634.db2.gz MNFCLYMKKNXXHS-DGCLKSJQSA-N 1 0 204.317 2.171 10 0 BEAERO C[C@H](c1ccc(Cl)s1)N1CC[C@H]([NH3+])C1=O ZINC000049649064 177033442 /nfs/dbraw/zinc/03/34/42/177033442.db2.gz ADKXGVQTJWMXLM-RQJHMYQMSA-N 1 0 244.747 2.022 10 0 BEAERO C[C@H](c1ccc[nH]1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095068221 177035060 /nfs/dbraw/zinc/03/50/60/177035060.db2.gz STGUCIUDWFWLNH-VXGBXAGGSA-N 1 0 221.348 2.007 10 0 BEAERO C[C@H](c1ccc(N)cc1)[N@@H+]1CCCOCC1 ZINC000061914062 177035495 /nfs/dbraw/zinc/03/54/95/177035495.db2.gz ZNRUWZFLFSQIQU-LLVKDONJSA-N 1 0 220.316 2.052 10 0 BEAERO C[C@H](c1ccco1)N(C)C1CC[NH2+]CC1 ZINC000095068197 177047603 /nfs/dbraw/zinc/04/76/03/177047603.db2.gz PCTNHADVCXRGIB-SNVBAGLBSA-N 1 0 208.305 2.024 10 0 BEAERO C[C@H](c1ccncc1)n1c(N)[nH+]c2ccccc21 ZINC000035693997 177051840 /nfs/dbraw/zinc/05/18/40/177051840.db2.gz USDGDVHTRBAOME-SNVBAGLBSA-N 1 0 238.294 2.453 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(c2ncon2)C1 ZINC000036762104 177063686 /nfs/dbraw/zinc/06/36/86/177063686.db2.gz VSWUSITZJMVUPS-GZMMTYOYSA-N 1 0 209.293 2.070 10 0 BEAERO C[C@H]1CCCCN1CC[NH2+]Cc1cccnc1 ZINC000053343420 177075084 /nfs/dbraw/zinc/07/50/84/177075084.db2.gz FYYQZBXWYTYPOK-ZDUSSCGKSA-N 1 0 233.359 2.046 10 0 BEAERO C[C@H]1CCCC[N@@H+]1Cc1ccoc1CN ZINC000052378759 177076854 /nfs/dbraw/zinc/07/68/54/177076854.db2.gz CDZVPMKDVFVWQB-JTQLQIEISA-N 1 0 208.305 2.113 10 0 BEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037806785 177080921 /nfs/dbraw/zinc/08/09/21/177080921.db2.gz NFYSWXUGOXUMMQ-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cncnc1 ZINC000054766971 177083267 /nfs/dbraw/zinc/08/32/67/177083267.db2.gz XHZVKBMHTWPYQQ-JQWIXIFHSA-N 1 0 205.305 2.145 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC000034937815 177088605 /nfs/dbraw/zinc/08/86/05/177088605.db2.gz CSUDAPHSSUXYJZ-WDEREUQCSA-N 1 0 207.321 2.088 10 0 BEAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)CN1C ZINC000089927766 177089582 /nfs/dbraw/zinc/08/95/82/177089582.db2.gz CVSGAHKFSQPRPO-WUHRBBMRSA-N 1 0 210.365 2.247 10 0 BEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000051813267 177094670 /nfs/dbraw/zinc/09/46/70/177094670.db2.gz XWZYAZRDOPAKRI-RNJOBUHISA-N 1 0 238.375 2.022 10 0 BEAERO C[C@H]1CCC[N@H+](CC2(N)CCCCC2)C1 ZINC000020071960 177096639 /nfs/dbraw/zinc/09/66/39/177096639.db2.gz SVXMRRIHRIRPGX-LBPRGKRZSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@H]1CCC[N@H+](CCOc2cccc(N)c2)C1 ZINC000033465260 177099498 /nfs/dbraw/zinc/09/94/98/177099498.db2.gz MEJLQBBAARZQHH-LBPRGKRZSA-N 1 0 234.343 2.380 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1[C@@H](C[NH3+])c1ccccn1 ZINC000050563371 177103407 /nfs/dbraw/zinc/10/34/07/177103407.db2.gz RQQXXCADADSYNI-SCRDCRAPSA-N 1 0 233.359 2.202 10 0 BEAERO C[C@H]1CCC[N@@H+]1CC(=O)Cc1ccc(F)cc1 ZINC000037911585 177108927 /nfs/dbraw/zinc/10/89/27/177108927.db2.gz RQZLJRHSSWORCA-NSHDSACASA-N 1 0 235.302 2.422 10 0 BEAERO C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1N ZINC000037909704 177109045 /nfs/dbraw/zinc/10/90/45/177109045.db2.gz UWYKUCIPHFIDFB-NSHDSACASA-N 1 0 247.342 2.082 10 0 BEAERO C[C@H]1CCCN1c1ccc(Cl)c(C[NH3+])n1 ZINC000051396081 177111902 /nfs/dbraw/zinc/11/19/02/177111902.db2.gz ATYCMJOOWXADGY-QMMMGPOBSA-N 1 0 225.723 2.182 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N2Cc3ccccc3C2)[NH2+]1 ZINC000050912609 177112959 /nfs/dbraw/zinc/11/29/59/177112959.db2.gz WMRUMDZKXGIQII-FZMZJTMJSA-N 1 0 244.338 2.059 10 0 BEAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1cnn(C)c1 ZINC000041054636 177114194 /nfs/dbraw/zinc/11/41/94/177114194.db2.gz WOMLKOVEHKRARM-QYJAPNMZSA-N 1 0 221.348 2.334 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000122489750 177116112 /nfs/dbraw/zinc/11/61/12/177116112.db2.gz XZKAOOUUSAWTND-RNJOBUHISA-N 1 0 238.375 2.293 10 0 BEAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccnc1N ZINC000052717081 177116707 /nfs/dbraw/zinc/11/67/07/177116707.db2.gz YOFKIBUSDNTFSW-PHIMTYICSA-N 1 0 219.332 2.427 10 0 BEAERO C[C@H]1CCC[C@@H](CC[NH2+]Cc2cnnn2C)C1 ZINC000122012603 177119123 /nfs/dbraw/zinc/11/91/23/177119123.db2.gz WHOPLSKYTZUGNQ-RYUDHWBXSA-N 1 0 236.363 2.121 10 0 BEAERO C[C@H]1CCC[C@@H](Oc2ccnc(C[NH3+])c2)C1 ZINC000051542239 177123401 /nfs/dbraw/zinc/12/34/01/177123401.db2.gz LNQBBWZJLDAFQM-CMPLNLGQSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCC[C@@](C[NH3+])(OC2CCOCC2)C1 ZINC000050503972 177127359 /nfs/dbraw/zinc/12/73/59/177127359.db2.gz STSXDYPSPFZNIE-WCQYABFASA-N 1 0 227.348 2.090 10 0 BEAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2cncs2)C1 ZINC000054788482 177127754 /nfs/dbraw/zinc/12/77/54/177127754.db2.gz TUEGWIZIJWOCFW-CMPLNLGQSA-N 1 0 240.372 2.174 10 0 BEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)OC2CCCC2)C1 ZINC000041036823 177127962 /nfs/dbraw/zinc/12/79/62/177127962.db2.gz MAGCLUOVIYWTAD-GWCFXTLKSA-N 1 0 225.332 2.380 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)NC2CCCCCC2)[NH2+]1 ZINC000037390419 177129288 /nfs/dbraw/zinc/12/92/88/177129288.db2.gz VXAVNDLLJOGWCD-WCQYABFASA-N 1 0 238.375 2.356 10 0 BEAERO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946254 177129716 /nfs/dbraw/zinc/12/97/16/177129716.db2.gz LABIRVUHNMFDIS-SGMGOOAPSA-N 1 0 236.403 2.495 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+][C@@H]2CN3CCC2CC3)C1 ZINC000019946243 177138457 /nfs/dbraw/zinc/13/84/57/177138457.db2.gz QKXDVYJIQBTSKB-FPMFFAJLSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@H]1CCC[C@H](Oc2ccc(C[NH3+])cn2)C1 ZINC000034958114 177139281 /nfs/dbraw/zinc/13/92/81/177139281.db2.gz HKRBUKILSDYFOM-JQWIXIFHSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1C[C@@H](C)CCN1C(=O)C1CCC([NH3+])CC1 ZINC000051732785 177146036 /nfs/dbraw/zinc/14/60/36/177146036.db2.gz BMUYKBGGICEZCS-ZFDZMSFRSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1CCN(C(=O)CC(C)(C)C)[C@H](C[NH3+])C1 ZINC000235579964 177146220 /nfs/dbraw/zinc/14/62/20/177146220.db2.gz KGXBGILPSIXTHA-QWRGUYRKSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1CCN(C(=O)CC2CCCC2)[C@@H](C[NH3+])C1 ZINC000235650187 177147332 /nfs/dbraw/zinc/14/73/32/177147332.db2.gz JHKHXGSCHOZRNW-WCQYABFASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CCN(Cc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049664336 177164585 /nfs/dbraw/zinc/16/45/85/177164585.db2.gz MYTLHYOZKAFUTN-RYUDHWBXSA-N 1 0 222.332 2.242 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CCN(Cc2ccco2)C1 ZINC000049664341 177164892 /nfs/dbraw/zinc/16/48/92/177164892.db2.gz BZDBMEBSTGHCTD-NEPJUHHUSA-N 1 0 222.332 2.100 10 0 BEAERO C[C@@H]1CCN(c2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049662985 177172019 /nfs/dbraw/zinc/17/20/19/177172019.db2.gz BHTGWGMOUCNGRJ-TXEJJXNPSA-N 1 0 219.332 2.048 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncccc1Cl ZINC000335655354 177175802 /nfs/dbraw/zinc/17/58/02/177175802.db2.gz ATIMKQPSOVMSDV-WCBMZHEXSA-N 1 0 225.723 2.145 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)NCC2CCCCC2)C[NH2+]1 ZINC000037260058 177180988 /nfs/dbraw/zinc/18/09/88/177180988.db2.gz CTFGXKRDCJFIGR-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@H](C)N(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134578850 177181756 /nfs/dbraw/zinc/18/17/56/177181756.db2.gz IIOCJRCDBLVZDP-FRRDWIJNSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CO[C@@H](C)CN1C(=[NH2+])Nc1ccccc1 ZINC000060393274 177210738 /nfs/dbraw/zinc/21/07/38/177210738.db2.gz SFEZMFNMEWSXGO-MNOVXSKESA-N 1 0 233.315 2.142 10 0 BEAERO C[C@H]1CN(CC[NH2+]CCC(C)(C)C)C[C@H](C)O1 ZINC000053343646 177253000 /nfs/dbraw/zinc/25/30/00/177253000.db2.gz KFSQDHKOODDICQ-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO C[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCS1 ZINC000336467904 177253752 /nfs/dbraw/zinc/25/37/52/177253752.db2.gz UKGXMDKELSLFON-QWHCGFSZSA-N 1 0 242.432 2.298 10 0 BEAERO C[C@H]1CN(Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062611096 177263618 /nfs/dbraw/zinc/26/36/18/177263618.db2.gz LNBFOPVFHYHEPE-NSHDSACASA-N 1 0 222.307 2.010 10 0 BEAERO C[C@H]1C[N@H+](Cc2cccnc2)CCS1 ZINC000171690862 177266654 /nfs/dbraw/zinc/26/66/54/177266654.db2.gz MIOQXEIDYVQNCU-JTQLQIEISA-N 1 0 208.330 2.019 10 0 BEAERO C[C@@H](c1cccc(O)c1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070075186 177274186 /nfs/dbraw/zinc/27/41/86/177274186.db2.gz NSIAZYOMYXRCRX-TUAOUCFPSA-N 1 0 234.343 2.135 10 0 BEAERO C[C@@H](CCc1ccccc1)N1CC[NH2+][C@@H](C)C1 ZINC000083359028 177274391 /nfs/dbraw/zinc/27/43/91/177274391.db2.gz AVRDMNGTRHHEHO-KBPBESRZSA-N 1 0 232.371 2.301 10 0 BEAERO C[C@@H]1CCC[C@](C[NH3+])(N2C[C@H](C)OC[C@@H]2C)C1 ZINC000035783601 177275594 /nfs/dbraw/zinc/27/55/94/177275594.db2.gz DISCNNGLBZWTAV-RFGFWPKPSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(O)c1 ZINC000156077415 177280458 /nfs/dbraw/zinc/28/04/58/177280458.db2.gz UKDKJLAHJWLIGH-GXTWGEPZSA-N 1 0 246.354 2.061 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@H](C)S1)c1ccco1 ZINC000035739657 177281551 /nfs/dbraw/zinc/28/15/51/177281551.db2.gz YCWMCJFUFYANFM-JGVFFNPUSA-N 1 0 210.302 2.422 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1Cc1ccccc1F ZINC000041271402 177281955 /nfs/dbraw/zinc/28/19/55/177281955.db2.gz VMAJKYKUVJAAMR-NSHDSACASA-N 1 0 236.334 2.398 10 0 BEAERO C[C@H]1C[NH2+]CCN(c2ccc(F)cc2F)C1 ZINC000049661444 177282933 /nfs/dbraw/zinc/28/29/33/177282933.db2.gz APJJQHWIVNPJOK-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[C@H]1C[NH2+]CCc2oc(Br)cc21 ZINC000082348098 177285101 /nfs/dbraw/zinc/28/51/01/177285101.db2.gz URWXWQUIWWTFIO-LURJTMIESA-N 1 0 230.105 2.291 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N(C)C1CCCCCC1 ZINC000104213059 177285513 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/nfs/dbraw/zinc/30/30/24/177303024.db2.gz QFDFBZMYMHQPFV-IUCAKERBSA-N 1 0 224.329 2.292 10 0 BEAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021671 177314874 /nfs/dbraw/zinc/31/48/74/177314874.db2.gz YUWLNNQEMAPTNM-SCRDCRAPSA-N 1 0 233.359 2.059 10 0 BEAERO C[C@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CCN1C ZINC000123547567 177327413 /nfs/dbraw/zinc/32/74/13/177327413.db2.gz NBTYWYMYSVOWHV-ZFWWWQNUSA-N 1 0 247.386 2.039 10 0 BEAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](C)C2)CN1C ZINC000089927290 177333621 /nfs/dbraw/zinc/33/36/21/177333621.db2.gz IAVFJLYQOSGXDO-YVECIDJPSA-N 1 0 210.365 2.247 10 0 BEAERO C[C@H]1C[C@@H](c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000070586517 177338325 /nfs/dbraw/zinc/33/83/25/177338325.db2.gz WHXXKUJFFOPOOT-CMPLNLGQSA-N 1 0 204.317 2.218 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000061641159 177349653 /nfs/dbraw/zinc/34/96/53/177349653.db2.gz SMFBZHDZLMMMDZ-FZMZJTMJSA-N 1 0 227.311 2.370 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000052273020 177349665 /nfs/dbraw/zinc/34/96/65/177349665.db2.gz MMQFQGQMIHBUQH-WFASDCNBSA-N 1 0 241.338 2.429 10 0 BEAERO C[C@H]1C[C@H]1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336750962 177362598 /nfs/dbraw/zinc/36/25/98/177362598.db2.gz GCQJJHOHYDTQGA-WJTVCTBASA-N 1 0 211.349 2.436 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCOC2)C[C@H](C)O1 ZINC000341490464 177362863 /nfs/dbraw/zinc/36/28/63/177362863.db2.gz SNLZBNIUDIJJGW-XJFOESAGSA-N 1 0 241.375 2.206 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccn2C)C[C@H](C)O1 ZINC000282260011 177363275 /nfs/dbraw/zinc/36/32/75/177363275.db2.gz PCCPPAPPTZNYCK-CLLJXQQHSA-N 1 0 236.359 2.318 10 0 BEAERO C[C@H]1C[C@H]([N@H+](C)CCc2ccncc2)CCN1C ZINC000123547116 177364090 /nfs/dbraw/zinc/36/40/90/177364090.db2.gz NBTYWYMYSVOWHV-DZGCQCFKSA-N 1 0 247.386 2.039 10 0 BEAERO C[C@H]1C[C@H]([N@H+](C)CCOC(C)(C)C)CCN1C ZINC000123661062 177364714 /nfs/dbraw/zinc/36/47/14/177364714.db2.gz ZRDTXMRCKUHXIB-QWHCGFSZSA-N 1 0 242.407 2.216 10 0 BEAERO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000019257334 177377092 /nfs/dbraw/zinc/37/70/92/177377092.db2.gz UEOIJIJKCSFQPQ-YGOYTEALSA-N 1 0 218.300 2.301 10 0 BEAERO C[C@H]1C[C@H]1CN(C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428410 177379533 /nfs/dbraw/zinc/37/95/33/177379533.db2.gz XLUXKQHBEPTBAB-MJVIPROJSA-N 1 0 236.334 2.413 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000105437105 177385324 /nfs/dbraw/zinc/38/53/24/177385324.db2.gz XMOMPUVJHGXNEG-GXFFZTMASA-N 1 0 215.296 2.460 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000190952141 177386372 /nfs/dbraw/zinc/38/63/72/177386372.db2.gz JGUKRVQZKVZLJO-WCQYABFASA-N 1 0 227.311 2.370 10 0 BEAERO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCN(C)C2)o1 ZINC000042543990 177387497 /nfs/dbraw/zinc/38/74/97/177387497.db2.gz GGTYLLIEZDTAMZ-DMDPSCGWSA-N 1 0 234.343 2.197 10 0 BEAERO C[C@H]1Cc2c(cnn2-c2ccccc2)[C@H]([NH3+])C1 ZINC000072415619 177388163 /nfs/dbraw/zinc/38/81/63/177388163.db2.gz DDRABPXZQSDSNK-ZWNOBZJWSA-N 1 0 227.311 2.454 10 0 BEAERO C[C@H]1Cc2ccccc2N1CC1(C[NH3+])CC1 ZINC000049816165 177390849 /nfs/dbraw/zinc/39/08/49/177390849.db2.gz MDKYSYFWXGUIPV-NSHDSACASA-N 1 0 216.328 2.177 10 0 BEAERO C[C@]([NH3+])(CCO)c1cccc(Br)c1 ZINC000082551201 177444279 /nfs/dbraw/zinc/44/42/79/177444279.db2.gz JKZCGWAVLCHFCC-JTQLQIEISA-N 1 0 244.132 2.005 10 0 BEAERO C[C@](O)(c1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000104123830 177451852 /nfs/dbraw/zinc/45/18/52/177451852.db2.gz MTZVKICDJWTPAP-TVQRCGJNSA-N 1 0 241.281 2.172 10 0 BEAERO C[C@](O)(c1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000071560108 177451916 /nfs/dbraw/zinc/45/19/16/177451916.db2.gz ZYBRFSPLWUKTLJ-CVEARBPZSA-N 1 0 245.366 2.382 10 0 BEAERO C[C@]1([NH2+]C2CCCC2)CCO[C@H]1C1CC1 ZINC000335607260 177470161 /nfs/dbraw/zinc/47/01/61/177470161.db2.gz CRQAYEURFDFPSV-STQMWFEESA-N 1 0 209.333 2.476 10 0 BEAERO Cc1[nH]c2ccccc2c1[C@H](O)[C@H]1CCC[NH2+]1 ZINC000071534879 177516852 /nfs/dbraw/zinc/51/68/52/177516852.db2.gz XRGHMTGPRUYRPW-TZMCWYRMSA-N 1 0 230.311 2.262 10 0 BEAERO Cc1c(N)cccc1N[C@@H](C)C[NH+]1CCCC1 ZINC000062724959 177613569 /nfs/dbraw/zinc/61/35/69/177613569.db2.gz HGVSLHHLLJETJN-NSHDSACASA-N 1 0 233.359 2.473 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc(Cl)ccn1 ZINC000232724074 487642280 /nfs/dbraw/zinc/64/22/80/487642280.db2.gz LZAZINQXYJZEEY-SECBINFHSA-N 1 0 241.722 2.047 10 0 BEAERO [NH3+]Cc1cc2cc[nH]c2cc1Br ZINC000082360982 417338012 /nfs/dbraw/zinc/33/80/12/417338012.db2.gz YHVYHRSGUQORLG-UHFFFAOYSA-N 1 0 225.089 2.389 10 0 BEAERO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000400619275 226348063 /nfs/dbraw/zinc/34/80/63/226348063.db2.gz JEAMNIWRQNKVPL-GRYCIOLGSA-N 1 0 222.332 2.379 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCc2occc21)[C@@H]1CC[NH2+]C1 ZINC000400748856 226350998 /nfs/dbraw/zinc/35/09/98/226350998.db2.gz MJKVHNAHCGDSMW-LOWVWBTDSA-N 1 0 234.343 2.245 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CC2CCCCC2)C1 ZINC000401919943 226362937 /nfs/dbraw/zinc/36/29/37/226362937.db2.gz WMGJBZYJNHXYDF-AAEUAGOBSA-N 1 0 211.349 2.269 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000228479401 487656894 /nfs/dbraw/zinc/65/68/94/487656894.db2.gz BLYCZEJYSDCKEB-YVECIDJPSA-N 1 0 240.391 2.301 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378764573 487666533 /nfs/dbraw/zinc/66/65/33/487666533.db2.gz CKCBVRBLKUKZRD-KIJLLGNVSA-N 1 0 209.333 2.068 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000328367621 487670577 /nfs/dbraw/zinc/67/05/77/487670577.db2.gz RIIGIGGMUQYKGQ-RYUDHWBXSA-N 1 0 238.400 2.363 10 0 BEAERO COc1cc(C)ccc1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400388625 533683529 /nfs/dbraw/zinc/68/35/29/533683529.db2.gz MMTYWTGPSCHBME-NWDGAFQWSA-N 1 0 234.343 2.414 10 0 BEAERO CC[N@H+](Cc1ccoc1)CC1(O)CCC1 ZINC000675131393 487672692 /nfs/dbraw/zinc/67/26/92/487672692.db2.gz JRVVLQSMVVJSCR-UHFFFAOYSA-N 1 0 209.289 2.017 10 0 BEAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCC[C@H](O)C1 ZINC000383923940 487681117 /nfs/dbraw/zinc/68/11/17/487681117.db2.gz RKJQZNPOIVSSAI-JSGCOSHPSA-N 1 0 234.343 2.065 10 0 BEAERO C[C@@]1(C[NH2+]CC[C@@H]2CCCO2)CCCS1 ZINC000087793337 487687598 /nfs/dbraw/zinc/68/75/98/487687598.db2.gz IXLZTGFOKHHFQK-RYUDHWBXSA-N 1 0 229.389 2.431 10 0 BEAERO CC[C@H]([NH2+][C@H](CO)C(C)C)[C@H]1CC1(C)C ZINC000397746502 262931900 /nfs/dbraw/zinc/93/19/00/262931900.db2.gz OIVXCSBJMIPNND-GRYCIOLGSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@@H](N(C)C(=O)C[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000054292056 487709281 /nfs/dbraw/zinc/70/92/81/487709281.db2.gz KVFKVVYTKREBSA-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO COc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136303785 487724538 /nfs/dbraw/zinc/72/45/38/487724538.db2.gz CCLZOUWTBDOZPW-LBPRGKRZSA-N 1 0 236.315 2.007 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCc2ccccc21 ZINC000136304094 487724585 /nfs/dbraw/zinc/72/45/85/487724585.db2.gz GORLKCSMGIFEIH-CYBMUJFWSA-N 1 0 246.354 2.339 10 0 BEAERO Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)c(F)c1 ZINC000136307502 487725603 /nfs/dbraw/zinc/72/56/03/487725603.db2.gz UZSYFRRBTMPZQR-NSHDSACASA-N 1 0 238.306 2.446 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCc1ccccc1 ZINC000136365053 487731505 /nfs/dbraw/zinc/73/15/05/487731505.db2.gz HKGCOUUXBYTECN-AWEZNQCLSA-N 1 0 248.370 2.109 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCCCc1ccccc1 ZINC000136365016 487731761 /nfs/dbraw/zinc/73/17/61/487731761.db2.gz HKGCOUUXBYTECN-CQSZACIVSA-N 1 0 248.370 2.109 10 0 BEAERO CC[C@@]1(C)CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000399351686 487745041 /nfs/dbraw/zinc/74/50/41/487745041.db2.gz MISDEYXUVROTCY-YPMHNXCESA-N 1 0 226.364 2.008 10 0 BEAERO CC1(C)CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251153851 487749324 /nfs/dbraw/zinc/74/93/24/487749324.db2.gz LVDNQWWJTBWOCM-TUAOUCFPSA-N 1 0 238.375 2.056 10 0 BEAERO CCC1CCC(NC(=O)C[NH2+]C(C)C)CC1 ZINC000042581978 487760974 /nfs/dbraw/zinc/76/09/74/487760974.db2.gz HFXVJAAGIGCHPF-UHFFFAOYSA-N 1 0 226.364 2.069 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CC1=CCCCC1 ZINC000089091285 487760792 /nfs/dbraw/zinc/76/07/92/487760792.db2.gz SRHKUEQLTKXZDA-QWHCGFSZSA-N 1 0 236.359 2.121 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C[C@H](C)O1 ZINC000300415336 487782889 /nfs/dbraw/zinc/78/28/89/487782889.db2.gz TYNVCNNZSVIZRD-XVIXHAIJSA-N 1 0 241.375 2.083 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(CC)c1ccccc1C ZINC000223761283 487793186 /nfs/dbraw/zinc/79/31/86/487793186.db2.gz ZVRJAZMJDWGXCQ-LBPRGKRZSA-N 1 0 234.343 2.475 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccco2)no1 ZINC000089431208 487814507 /nfs/dbraw/zinc/81/45/07/487814507.db2.gz XPOHEUHWTIPPJJ-BDAKNGLRSA-N 1 0 233.271 2.172 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[C@H]1C ZINC000252086118 487814397 /nfs/dbraw/zinc/81/43/97/487814397.db2.gz CVOOTUVLCPUKGZ-JHJVBQTASA-N 1 0 240.391 2.302 10 0 BEAERO CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089450741 487816785 /nfs/dbraw/zinc/81/67/85/487816785.db2.gz XAFYZRGSVVDRGH-DGCLKSJQSA-N 1 0 238.375 2.153 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CCCCCC1 ZINC000089450404 487816831 /nfs/dbraw/zinc/81/68/31/487816831.db2.gz AZAXQBCOSFIZCE-DGCLKSJQSA-N 1 0 238.375 2.200 10 0 BEAERO CCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000089450745 487816879 /nfs/dbraw/zinc/81/68/79/487816879.db2.gz XAFYZRGSVVDRGH-WCQYABFASA-N 1 0 238.375 2.153 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089449822 487817054 /nfs/dbraw/zinc/81/70/54/487817054.db2.gz WKXVXDFUMWRWBJ-WCQYABFASA-N 1 0 232.327 2.309 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450471 487817570 /nfs/dbraw/zinc/81/75/70/487817570.db2.gz VWVLZBMXAFWBOE-UPJWGTAASA-N 1 0 238.375 2.153 10 0 BEAERO COc1ccccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089448699 487818343 /nfs/dbraw/zinc/81/83/43/487818343.db2.gz PMNIOUPTXDPTOD-MNOVXSKESA-N 1 0 248.326 2.009 10 0 BEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089448541 487818413 /nfs/dbraw/zinc/81/84/13/487818413.db2.gz IQVWAYVZUCDMQN-MFKMUULPSA-N 1 0 248.326 2.009 10 0 BEAERO CC(C)CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000089456221 487819724 /nfs/dbraw/zinc/81/97/24/487819724.db2.gz BPDFORCPYKAGIA-AAEUAGOBSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000089456574 487819794 /nfs/dbraw/zinc/81/97/94/487819794.db2.gz WIYYTJJLYKAKPV-OLZOCXBDSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000252181216 487820517 /nfs/dbraw/zinc/82/05/17/487820517.db2.gz QBHYBSBPNLQFCQ-FRRDWIJNSA-N 1 0 238.375 2.010 10 0 BEAERO CC1(C)CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000089462865 487823044 /nfs/dbraw/zinc/82/30/44/487823044.db2.gz XLEVZPGZEYZZMT-RYUDHWBXSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000252684530 487829518 /nfs/dbraw/zinc/82/95/18/487829518.db2.gz GLWJLLBAKLIOBD-LPWJVIDDSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000252684531 487829585 /nfs/dbraw/zinc/82/95/85/487829585.db2.gz GLWJLLBAKLIOBD-ZDEQEGDKSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H](C)S1 ZINC000309314201 487835054 /nfs/dbraw/zinc/83/50/54/487835054.db2.gz YEXMIIYDBWSZOY-YVECIDJPSA-N 1 0 243.416 2.363 10 0 BEAERO C[C@@H]1C[NH+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H](C)S1 ZINC000309314195 487835388 /nfs/dbraw/zinc/83/53/88/487835388.db2.gz YEXMIIYDBWSZOY-FDYHWXHSSA-N 1 0 243.416 2.363 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2c1cccc2C ZINC000153951770 487843239 /nfs/dbraw/zinc/84/32/39/487843239.db2.gz QUYBRACNLQGEKC-QMTHXVAHSA-N 1 0 246.354 2.258 10 0 BEAERO CCCCCCNC(=O)[C@H](CCC)[NH+](C)C ZINC000161408580 632002923 /nfs/dbraw/zinc/00/29/23/632002923.db2.gz BBUBTPFMGDAWEC-LBPRGKRZSA-N 1 0 228.380 2.413 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+]CC(=O)N(C)CC)CC1 ZINC000217376789 487851845 /nfs/dbraw/zinc/85/18/45/487851845.db2.gz SMJZGMHXNUVWMC-CHWSQXEVSA-N 1 0 240.391 2.413 10 0 BEAERO CC[C@H]1CCC[C@H]([NH2+]CC(=O)N(C)CC)CC1 ZINC000217377050 487855236 /nfs/dbraw/zinc/85/52/36/487855236.db2.gz SMJZGMHXNUVWMC-STQMWFEESA-N 1 0 240.391 2.413 10 0 BEAERO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCCNC1=O ZINC000303377414 487863788 /nfs/dbraw/zinc/86/37/88/487863788.db2.gz ZGRCZOMTXPLHQM-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H](C[N@@H+]1CC[C@H](CCO)C1)C(C)(C)C ZINC000670264404 487866556 /nfs/dbraw/zinc/86/65/56/487866556.db2.gz BBQSHNKBKFDWTQ-VXGBXAGGSA-N 1 0 213.365 2.373 10 0 BEAERO Cc1cccc(F)c1NC(=O)C[C@H]([NH3+])C(C)C ZINC000225025170 487874593 /nfs/dbraw/zinc/87/45/93/487874593.db2.gz CLXGMRUHRLJSGU-NSHDSACASA-N 1 0 238.306 2.446 10 0 BEAERO C[C@H](CC[NH2+]C1CCCCCC1)[S@@](C)=O ZINC000132589222 322969379 /nfs/dbraw/zinc/96/93/79/322969379.db2.gz ROIDNYDXEOEWLM-ABAIWWIYSA-N 1 0 231.405 2.456 10 0 BEAERO Cc1ccc2oc(CN[C@H]3CC[NH2+]C3)cc2c1 ZINC000666816405 487886091 /nfs/dbraw/zinc/88/60/91/487886091.db2.gz UAKZFTXLQRVHMX-LBPRGKRZSA-N 1 0 230.311 2.193 10 0 BEAERO COC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000395988103 487888945 /nfs/dbraw/zinc/88/89/45/487888945.db2.gz DIHARLXSMYOJFP-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCCN[C@@H]1C ZINC000666887473 487897932 /nfs/dbraw/zinc/89/79/32/487897932.db2.gz QWKBORHGOVMIBX-WZRBSPASSA-N 1 0 210.365 2.295 10 0 BEAERO CCCC(CCC)C(=O)NCC[C@@H](C)[NH3+] ZINC000132963209 487906690 /nfs/dbraw/zinc/90/66/90/487906690.db2.gz HPRRPJHFSFXXLY-SNVBAGLBSA-N 1 0 214.353 2.056 10 0 BEAERO CCCc1nsc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000083670157 487926495 /nfs/dbraw/zinc/92/64/95/487926495.db2.gz GFJZBUSXBDEMET-VIFPVBQESA-N 1 0 240.376 2.045 10 0 BEAERO CC(C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055090800 487934971 /nfs/dbraw/zinc/93/49/71/487934971.db2.gz BHZIZESWGFWZQV-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000211771743 487939706 /nfs/dbraw/zinc/93/97/06/487939706.db2.gz RJFPAYBFRJDHLY-OLZOCXBDSA-N 1 0 240.391 2.446 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CCC[C@H]1C[NH3+])C1(C)CC1 ZINC000385435137 487941236 /nfs/dbraw/zinc/94/12/36/487941236.db2.gz MWNYRNLIYJZFAR-SRVKXCTJSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@@H]1CN(c2nccc3ccccc32)C[C@@H]1[NH3+] ZINC000235397945 487949845 /nfs/dbraw/zinc/94/98/45/487949845.db2.gz WCNDWIUORFNDBP-MFKMUULPSA-N 1 0 227.311 2.018 10 0 BEAERO CC[C@@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000125206244 323000807 /nfs/dbraw/zinc/00/08/07/323000807.db2.gz DSWWNBZPLUSTKY-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO C[C@@H]([NH3+])CCNC(=O)c1cccc(C(C)(C)C)c1 ZINC000569708734 323038127 /nfs/dbraw/zinc/03/81/27/323038127.db2.gz RJMZFBFSBVGUDE-LLVKDONJSA-N 1 0 248.370 2.451 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000570507885 323061583 /nfs/dbraw/zinc/06/15/83/323061583.db2.gz MUDUDIBGNFQQIK-SRVKXCTJSA-N 1 0 246.345 2.400 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000570507886 323061693 /nfs/dbraw/zinc/06/16/93/323061693.db2.gz MUDUDIBGNFQQIK-TUAOUCFPSA-N 1 0 246.345 2.400 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000394739161 323096849 /nfs/dbraw/zinc/09/68/49/323096849.db2.gz WNFFLYZFIAFCFR-LLVKDONJSA-N 1 0 239.388 2.025 10 0 BEAERO CC(C)[NH2+]CCCN=c1[nH]c2ccccc2o1 ZINC000563660818 323134171 /nfs/dbraw/zinc/13/41/71/323134171.db2.gz HLXAPKRVSSQHRL-UHFFFAOYSA-N 1 0 233.315 2.050 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1COc2ccccc21 ZINC000324430080 323167128 /nfs/dbraw/zinc/16/71/28/323167128.db2.gz PWQKNLBZHYXAGD-BXUZGUMPSA-N 1 0 249.354 2.159 10 0 BEAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(c2ncc[nH]2)C1 ZINC000521402110 323201148 /nfs/dbraw/zinc/20/11/48/323201148.db2.gz VLQQUOXDKUDNEY-CABZTGNLSA-N 1 0 207.321 2.410 10 0 BEAERO Cc1ccccc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399307365 323203250 /nfs/dbraw/zinc/20/32/50/323203250.db2.gz ZRTAQJLLHUCMIW-JSGCOSHPSA-N 1 0 219.328 2.340 10 0 BEAERO CCC(F)(F)C(C)(C)CN[C@H]1CC[NH2+]C1 ZINC000530221074 323218320 /nfs/dbraw/zinc/21/83/20/323218320.db2.gz WNWMOUSWAJCBEC-VIFPVBQESA-N 1 0 220.307 2.009 10 0 BEAERO CCC[C@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000042147509 323243911 /nfs/dbraw/zinc/24/39/11/323243911.db2.gz JKYVXPXEMNMAMT-JTQLQIEISA-N 1 0 214.353 2.022 10 0 BEAERO CC(C)n1ncc2c1[C@@]1(CC2)CCC[NH2+]C1 ZINC000536950486 323953786 /nfs/dbraw/zinc/95/37/86/323953786.db2.gz ROBQHCMMGDQHRQ-CYBMUJFWSA-N 1 0 219.332 2.031 10 0 BEAERO Oc1ccccc1[C@H]1C[NH2+]CC12CCC2 ZINC000536950528 323954522 /nfs/dbraw/zinc/95/45/22/323954522.db2.gz PINXMZDRIKYQRD-LLVKDONJSA-N 1 0 203.285 2.249 10 0 BEAERO CCC[C@H]1C[NH2+]C[C@@H]1c1ccn(CC)n1 ZINC000536951757 323957550 /nfs/dbraw/zinc/95/75/50/323957550.db2.gz VPTQWJKAWPOSTK-QWRGUYRKSA-N 1 0 207.321 2.006 10 0 BEAERO [NH3+][C@@]1(c2c(Cl)cccc2Cl)C[C@@H](O)C1 ZINC000536961002 323974076 /nfs/dbraw/zinc/97/40/76/323974076.db2.gz UPVUOGNZUULGEZ-XGAOUMNUSA-N 1 0 232.110 2.302 10 0 BEAERO CCCC1(CNC(=O)[C@@]2(C)CCC[NH2+]2)CCC1 ZINC000121151974 324003578 /nfs/dbraw/zinc/00/35/78/324003578.db2.gz YRNHWYJBITYDQK-CYBMUJFWSA-N 1 0 238.375 2.215 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]Cc2cnnn2C)cc1F ZINC000123021678 324077508 /nfs/dbraw/zinc/07/75/08/324077508.db2.gz MXQIMHORCLDKGS-SNVBAGLBSA-N 1 0 248.305 2.113 10 0 BEAERO COCc1cccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400783531 324169088 /nfs/dbraw/zinc/16/90/88/324169088.db2.gz QBICPSNVEBHMJK-WCQYABFASA-N 1 0 234.343 2.243 10 0 BEAERO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(F)cc1 ZINC000125611715 324645457 /nfs/dbraw/zinc/64/54/57/324645457.db2.gz BZVOEZMNVLFVKZ-NSHDSACASA-N 1 0 248.305 2.158 10 0 BEAERO C[S@](=O)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000126759999 324714033 /nfs/dbraw/zinc/71/40/33/324714033.db2.gz YVMYZWYHYDFDMN-XJKSGUPXSA-N 1 0 237.368 2.032 10 0 BEAERO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000227691292 324859342 /nfs/dbraw/zinc/85/93/42/324859342.db2.gz JNODKUZHOOEWAI-KRDKVTMHSA-N 1 0 211.349 2.172 10 0 BEAERO CCC[C@H](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000132579744 325226351 /nfs/dbraw/zinc/22/63/51/325226351.db2.gz SMLOAMJNKFTSIR-LBPRGKRZSA-N 1 0 240.391 2.365 10 0 BEAERO CCC[C@@H](C(=O)NCC1(C)CCC1)[NH+](C)C ZINC000133885626 325326742 /nfs/dbraw/zinc/32/67/42/325326742.db2.gz RSMSRFSMMIDVHZ-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)nc1 ZINC000134349603 325354879 /nfs/dbraw/zinc/35/48/79/325354879.db2.gz XDCOLQGWTCPNMU-JSGCOSHPSA-N 1 0 234.343 2.031 10 0 BEAERO OC1(C[NH2+]Cc2ccnc3ccccc23)CCC1 ZINC000134517294 325362882 /nfs/dbraw/zinc/36/28/82/325362882.db2.gz JJHSNZSAJTWZCC-UHFFFAOYSA-N 1 0 242.322 2.239 10 0 BEAERO CCCC(C)(C)NC(=O)C1CCC([NH3+])CC1 ZINC000122158769 487968537 /nfs/dbraw/zinc/96/85/37/487968537.db2.gz LYPQWCCKNZLWRZ-UHFFFAOYSA-N 1 0 226.364 2.199 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086926 487970168 /nfs/dbraw/zinc/97/01/68/487970168.db2.gz IAHFZJJGSDGHPF-SRVKXCTJSA-N 1 0 226.364 2.151 10 0 BEAERO CCCC[N@H+](CC)Cc1c(C)nn(C)c1OC ZINC000158978112 326347217 /nfs/dbraw/zinc/34/72/17/326347217.db2.gz MAUBRDTVUOPDRD-UHFFFAOYSA-N 1 0 239.363 2.359 10 0 BEAERO CCCc1nsc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000165739452 326426164 /nfs/dbraw/zinc/42/61/64/326426164.db2.gz JUUVEQNVJWLOHE-JGVFFNPUSA-N 1 0 228.365 2.028 10 0 BEAERO CCc1csc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000165760208 326426401 /nfs/dbraw/zinc/42/64/01/326426401.db2.gz ORRVUNUTKDHBSN-SFYZADRCSA-N 1 0 213.350 2.243 10 0 BEAERO CCCC(C)(C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000158779306 487975429 /nfs/dbraw/zinc/97/54/29/487975429.db2.gz TXRHEGQLFOYMHF-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@@H]([NH2+]Cc1ncnn1C(C)C)C(C)C ZINC000083977873 487979256 /nfs/dbraw/zinc/97/92/56/487979256.db2.gz LVDYBSSWZCBLQB-LLVKDONJSA-N 1 0 224.352 2.383 10 0 BEAERO C[C@H](Cc1ccsc1)N[C@@H]1CCC[NH2+][C@H]1C ZINC000396689665 487996358 /nfs/dbraw/zinc/99/63/58/487996358.db2.gz ZYTZRHSZOZFCGJ-NTZNESFSSA-N 1 0 238.400 2.409 10 0 BEAERO CCC(CC)(CC)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000668617244 488012526 /nfs/dbraw/zinc/01/25/26/488012526.db2.gz XFQYIKOHWKWRSL-GFCCVEGCSA-N 1 0 240.391 2.271 10 0 BEAERO CCC(CC)(CC)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000668617245 488012638 /nfs/dbraw/zinc/01/26/38/488012638.db2.gz XFQYIKOHWKWRSL-LBPRGKRZSA-N 1 0 240.391 2.271 10 0 BEAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000037169652 488042152 /nfs/dbraw/zinc/04/21/52/488042152.db2.gz ZHNFLEHUWMUOJU-NSHDSACASA-N 1 0 246.276 2.316 10 0 BEAERO CC(C)(C)c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084305492 488042357 /nfs/dbraw/zinc/04/23/57/488042357.db2.gz UEIHHONNGWBZNG-IUCAKERBSA-N 1 0 223.320 2.210 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000084308446 488042390 /nfs/dbraw/zinc/04/23/90/488042390.db2.gz HKGLKKYCQSVKGV-JQWIXIFHSA-N 1 0 218.300 2.000 10 0 BEAERO CC(C)CCN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159565713 488062060 /nfs/dbraw/zinc/06/20/60/488062060.db2.gz AJOKPBDDKFUYCL-ZDUSSCGKSA-N 1 0 226.364 2.023 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000123209457 488070951 /nfs/dbraw/zinc/07/09/51/488070951.db2.gz PPKYFKHYSLDYQQ-RNJOBUHISA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@H]([NH3+])C(C)C ZINC000136129085 488082529 /nfs/dbraw/zinc/08/25/29/488082529.db2.gz JFZFSGPCQKZXIJ-UTUOFQBUSA-N 1 0 226.364 2.149 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CCC2 ZINC000136298615 488092702 /nfs/dbraw/zinc/09/27/02/488092702.db2.gz QMICLMJNGCMOGF-AWEZNQCLSA-N 1 0 246.354 2.487 10 0 BEAERO CC(C)CCN(C(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000136386625 488101548 /nfs/dbraw/zinc/10/15/48/488101548.db2.gz ONYHYURMADYPNZ-ZDUSSCGKSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)c1ccccc1 ZINC000136437367 488102589 /nfs/dbraw/zinc/10/25/89/488102589.db2.gz WVRNJUBLINNSKC-OCCSQVGLSA-N 1 0 248.370 2.280 10 0 BEAERO CCC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000389610903 488103316 /nfs/dbraw/zinc/10/33/16/488103316.db2.gz AZMYFQVIBPSVBG-DGCLKSJQSA-N 1 0 211.349 2.412 10 0 BEAERO CC[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136469769 488104742 /nfs/dbraw/zinc/10/47/42/488104742.db2.gz LSEZKZRBIXGCCU-OLZOCXBDSA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402927311 488108959 /nfs/dbraw/zinc/10/89/59/488108959.db2.gz KCFPGWHMQIQGGU-AGIUHOORSA-N 1 0 210.365 2.092 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000378970258 488114994 /nfs/dbraw/zinc/11/49/94/488114994.db2.gz ZTXFKJWKYNVEQI-OPRDCNLKSA-N 1 0 219.275 2.067 10 0 BEAERO Cc1ccc(O)c(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000094574282 487543518 /nfs/dbraw/zinc/54/35/18/487543518.db2.gz IKMABTADARCGIM-WDEREUQCSA-N 1 0 248.326 2.014 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1O ZINC000093655022 487482572 /nfs/dbraw/zinc/48/25/72/487482572.db2.gz HAWNNESDNFLGJC-WDEREUQCSA-N 1 0 248.326 2.014 10 0 BEAERO CC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000227727685 487493755 /nfs/dbraw/zinc/49/37/55/487493755.db2.gz PGCNQSKNKJORTG-STQMWFEESA-N 1 0 211.349 2.269 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](C3CC3)C2)C1 ZINC000399997723 487499089 /nfs/dbraw/zinc/49/90/89/487499089.db2.gz LLXQPHIQXSUCRS-KWCYVHTRSA-N 1 0 223.360 2.269 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304528135 487510416 /nfs/dbraw/zinc/51/04/16/487510416.db2.gz GIKJYAXRIRXBMW-RYMFRWLXSA-N 1 0 223.360 2.316 10 0 BEAERO OCC1(C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000118906877 487516165 /nfs/dbraw/zinc/51/61/65/487516165.db2.gz REMNDYIYQDJQOP-UHFFFAOYSA-N 1 0 242.322 2.097 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000313469916 487525178 /nfs/dbraw/zinc/52/51/78/487525178.db2.gz MOWFBOXPCNSRMA-VXGBXAGGSA-N 1 0 240.391 2.304 10 0 BEAERO Fc1cc(Cl)cnc1NC1CC[NH2+]CC1 ZINC000086711108 487535517 /nfs/dbraw/zinc/53/55/17/487535517.db2.gz NIEKPPLXHHDMAS-UHFFFAOYSA-N 1 0 229.686 2.038 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)o1 ZINC000051724155 487783961 /nfs/dbraw/zinc/78/39/61/487783961.db2.gz APRVYTLTCHIPMU-WDEREUQCSA-N 1 0 223.316 2.235 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229659464 487935740 /nfs/dbraw/zinc/93/57/40/487935740.db2.gz XDWZLUJDOOYTCP-ZFWWWQNUSA-N 1 0 244.338 2.419 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000235394819 487948465 /nfs/dbraw/zinc/94/84/65/487948465.db2.gz AAAOWOQWINYTIO-ABAIWWIYSA-N 1 0 230.355 2.343 10 0 BEAERO COc1ccc(C(C)C)cc1CN1CC[C@H]([NH3+])C1 ZINC000057956581 488157862 /nfs/dbraw/zinc/15/78/62/488157862.db2.gz IXBIXIXJRKXHSD-AWEZNQCLSA-N 1 0 248.370 2.352 10 0 BEAERO CC1(C)CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000380075743 488171627 /nfs/dbraw/zinc/17/16/27/488171627.db2.gz JQPGCIYRTHZNSU-VXGBXAGGSA-N 1 0 211.349 2.269 10 0 BEAERO CCC1CCC(NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136440266 488179785 /nfs/dbraw/zinc/17/97/85/488179785.db2.gz OBLYTDFPMIDFOY-WXRRBKDZSA-N 1 0 240.391 2.445 10 0 BEAERO COC[C@@H](C)[NH2+]CCCCOC(C)(C)C ZINC000380306335 488185142 /nfs/dbraw/zinc/18/51/42/488185142.db2.gz FRWNUQRCRIPPSH-LLVKDONJSA-N 1 0 217.353 2.206 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CCO1 ZINC000231296072 488196429 /nfs/dbraw/zinc/19/64/29/488196429.db2.gz QKFSMLGURLVMMC-AAVRWANBSA-N 1 0 241.375 2.085 10 0 BEAERO CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2C)N1 ZINC000034521773 488198491 /nfs/dbraw/zinc/19/84/91/488198491.db2.gz PZAYTALJRQEWMT-STQMWFEESA-N 1 0 233.311 2.351 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000054080355 488206229 /nfs/dbraw/zinc/20/62/29/488206229.db2.gz KPMYVVMRCIJKHQ-UHTWSYAYSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)(C)[C@H](CO)[NH2+]Cc1[nH]nc2ccccc21 ZINC000683723835 488213035 /nfs/dbraw/zinc/21/30/35/488213035.db2.gz ICNNFTGBJJYTLI-ZDUSSCGKSA-N 1 0 247.342 2.060 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398773334 488223620 /nfs/dbraw/zinc/22/36/20/488223620.db2.gz HYATVBPRSMDOAP-RVMXOQNASA-N 1 0 211.349 2.124 10 0 BEAERO C[N@H+](C[C@H](O)C1CC1)C[C@@H]1Cc2ccccc21 ZINC000672545236 488258983 /nfs/dbraw/zinc/25/89/83/488258983.db2.gz CRZKUBCOVORNFP-ZFWWWQNUSA-N 1 0 231.339 2.029 10 0 BEAERO CC(C)[NH2+]CC(=O)Nc1nc(C(C)C)cs1 ZINC000049237326 488277052 /nfs/dbraw/zinc/27/70/52/488277052.db2.gz XGPXWFBDVJZGFU-UHFFFAOYSA-N 1 0 241.360 2.203 10 0 BEAERO Cc1cc(-c2cnn(CCC[NH3+])c2)cs1 ZINC000382349854 490093317 /nfs/dbraw/zinc/09/33/17/490093317.db2.gz OXYNIFHXUSAJKQ-UHFFFAOYSA-N 1 0 221.329 2.269 10 0 BEAERO CC(C)C[N@H+](Cc1cncnc1)C1CC1 ZINC000122148724 490127317 /nfs/dbraw/zinc/12/73/17/490127317.db2.gz CSRQPEWMFFELHE-UHFFFAOYSA-N 1 0 205.305 2.097 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000037163972 490146028 /nfs/dbraw/zinc/14/60/28/490146028.db2.gz QYCFDFKNLCAOQB-VXGBXAGGSA-N 1 0 241.281 2.358 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC1CCC1 ZINC000252960812 490268728 /nfs/dbraw/zinc/26/87/28/490268728.db2.gz UWHGQSMDKXOCER-JSGCOSHPSA-N 1 0 222.376 2.345 10 0 BEAERO Fc1cc2c(cc1Br)CC[NH2+]C2 ZINC000216460976 490392450 /nfs/dbraw/zinc/39/24/50/490392450.db2.gz ARASSUFLYYKDGN-UHFFFAOYSA-N 1 0 230.080 2.234 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000308316914 490406161 /nfs/dbraw/zinc/40/61/61/490406161.db2.gz GNDMYZBKBJRDSQ-BBBLOLIVSA-N 1 0 213.321 2.105 10 0 BEAERO C[C@@H](O)CC[NH2+][C@@H](C)Cc1cccs1 ZINC000125233564 490421546 /nfs/dbraw/zinc/42/15/46/490421546.db2.gz HWGCJCOCLXVCJW-VHSXEESVSA-N 1 0 213.346 2.040 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccn1 ZINC000217637608 490476900 /nfs/dbraw/zinc/47/69/00/490476900.db2.gz YFLUNZHRXGGYBV-SDDRHHMPSA-N 1 0 220.316 2.036 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cs1 ZINC000217676067 490480215 /nfs/dbraw/zinc/48/02/15/490480215.db2.gz MBNVBLHJGAKLOK-INTQDDNPSA-N 1 0 240.372 2.406 10 0 BEAERO OCC1([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000126344677 490491500 /nfs/dbraw/zinc/49/15/00/490491500.db2.gz MNOZEEJCYXHXGN-UHFFFAOYSA-N 1 0 227.254 2.239 10 0 BEAERO CC(C)[C@H]1CCCC[N@@H+]1Cc1cncnc1 ZINC000126987716 490531575 /nfs/dbraw/zinc/53/15/75/490531575.db2.gz PSXAZVALELCYQX-CYBMUJFWSA-N 1 0 219.332 2.487 10 0 BEAERO CCCC[C@H](CC)CC[NH2+]CCC(=O)NC ZINC000128726491 490588281 /nfs/dbraw/zinc/58/82/81/490588281.db2.gz XMYIXUAENNUDCI-LBPRGKRZSA-N 1 0 228.380 2.319 10 0 BEAERO CC[C@@H](C)N(CC)C(=O)C[C@H]([NH3+])C(C)C ZINC000128899992 490593638 /nfs/dbraw/zinc/59/36/38/490593638.db2.gz JJOAMANPVWLLAO-MNOVXSKESA-N 1 0 214.353 2.007 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000227160738 491055311 /nfs/dbraw/zinc/05/53/11/491055311.db2.gz KPMYVVMRCIJKHQ-CYZMBNFOSA-N 1 0 211.349 2.458 10 0 BEAERO CCN(C[C@@H](C)CO)c1ccccc1C ZINC000121321888 491102555 /nfs/dbraw/zinc/10/25/55/491102555.db2.gz JPDUIERGRXAWJR-LLVKDONJSA-N 1 0 207.317 2.450 10 0 BEAERO [NH3+][C@@H]1c2c(Cl)cc(Cl)cc2CC[C@H]1O ZINC000039941507 491110665 /nfs/dbraw/zinc/11/06/65/491110665.db2.gz QASZXAAVJFJJSX-SCZZXKLOSA-N 1 0 232.110 2.300 10 0 BEAERO [NH3+][C@H]1c2cc(C(F)(F)F)ccc2CCC[C@H]1O ZINC000039941542 491110667 /nfs/dbraw/zinc/11/06/67/491110667.db2.gz TXQOOWJKBQMOQK-MNOVXSKESA-N 1 0 245.244 2.402 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]CCc2nc(C)no2)c(C)o1 ZINC000219284142 491132899 /nfs/dbraw/zinc/13/28/99/491132899.db2.gz KDEMAPFKLJKXGA-SECBINFHSA-N 1 0 249.314 2.481 10 0 BEAERO Cc1cc([C@H](C)[NH2+]CCc2nc(C)no2)c(C)o1 ZINC000219284679 491132905 /nfs/dbraw/zinc/13/29/05/491132905.db2.gz KDEMAPFKLJKXGA-VIFPVBQESA-N 1 0 249.314 2.481 10 0 BEAERO CO[C@H](C[NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000132441631 491136152 /nfs/dbraw/zinc/13/61/52/491136152.db2.gz LKVJTSFJMXRHLC-SECBINFHSA-N 1 0 237.196 2.491 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000132632690 491137443 /nfs/dbraw/zinc/13/74/43/491137443.db2.gz IUPLDZJKHJWMJO-RTXFEEFZSA-N 1 0 211.349 2.458 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc(C)s2)C1 ZINC000309030408 491142615 /nfs/dbraw/zinc/14/26/15/491142615.db2.gz DHIZXVZRYWDFJG-SCZZXKLOSA-N 1 0 225.361 2.204 10 0 BEAERO OC1(C[NH2+][C@H]2CCC[C@H]2CCF)CCCC1 ZINC000309602594 491152187 /nfs/dbraw/zinc/15/21/87/491152187.db2.gz XAIYLOJJPJQPJU-RYUDHWBXSA-N 1 0 229.339 2.409 10 0 BEAERO CCCC[C@H](CC)C(=O)NCCCCC[NH3+] ZINC000070671059 521159840 /nfs/dbraw/zinc/15/98/40/521159840.db2.gz ZVYVWIBWUQJYQV-LBPRGKRZSA-N 1 0 228.380 2.448 10 0 BEAERO CC[C@H](C)C(=O)c1nc(C)c(CC[NH3+])s1 ZINC000757124695 582499140 /nfs/dbraw/zinc/49/91/40/582499140.db2.gz NXESRPDGZRSYEP-ZETCQYMHSA-N 1 0 226.345 2.182 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757130759 582504544 /nfs/dbraw/zinc/50/45/44/582504544.db2.gz NYYNHKFEJDZOOO-AVGNSLFASA-N 1 0 210.365 2.391 10 0 BEAERO CCCC[C@H](O)c1nc(C[NH2+]C)cs1 ZINC000757134920 582513077 /nfs/dbraw/zinc/51/30/77/582513077.db2.gz ZHUGUBPRKUHZGG-VIFPVBQESA-N 1 0 214.334 2.086 10 0 BEAERO CCC[C@@H]1CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757138147 582517443 /nfs/dbraw/zinc/51/74/43/582517443.db2.gz BABOWOAWXRPWGW-NEPJUHHUSA-N 1 0 213.321 2.062 10 0 BEAERO CC(C)[C@@H]1O[C@]2(COC(C)(C)C2)[NH2+]CC12CC2 ZINC000757141239 582521614 /nfs/dbraw/zinc/52/16/14/582521614.db2.gz JJFDEMSLZHTIBY-SMDDNHRTSA-N 1 0 239.359 2.306 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+][C@]2(CCCOCC2)OC1 ZINC000757145199 582528268 /nfs/dbraw/zinc/52/82/68/582528268.db2.gz HYIFBFCXUYOUHG-DGCLKSJQSA-N 1 0 227.348 2.165 10 0 BEAERO CCC1(CC)C[NH2+][C@]2(CCSC2)OC1 ZINC000757145723 582528639 /nfs/dbraw/zinc/52/86/39/582528639.db2.gz IJMJDGKUUIHLJI-LLVKDONJSA-N 1 0 215.362 2.246 10 0 BEAERO CC[C@H]([NH3+])c1ccc(O)c2ccncc21 ZINC000757146832 582530303 /nfs/dbraw/zinc/53/03/03/582530303.db2.gz VPZSUCUYFRIASU-NSHDSACASA-N 1 0 202.257 2.350 10 0 BEAERO C1OCC12CCOC1(CCCCCCC1)[NH2+]2 ZINC000757147860 582531891 /nfs/dbraw/zinc/53/18/91/582531891.db2.gz MOSMABMUJUWCSE-UHFFFAOYSA-N 1 0 225.332 2.206 10 0 BEAERO Cc1cc(C[C@@]2([NH3+])CCOC2)ccc1Cl ZINC000757148010 582531953 /nfs/dbraw/zinc/53/19/53/582531953.db2.gz VMUMZZSPUVKMLS-LBPRGKRZSA-N 1 0 225.719 2.309 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+]C2(CCSCC2)OC1 ZINC000757151847 582536118 /nfs/dbraw/zinc/53/61/18/582536118.db2.gz RNSJEUDPHVGRBQ-SNVBAGLBSA-N 1 0 229.389 2.492 10 0 BEAERO C[C@@H]1OC2(CCSCC2)[NH2+]CC1(C)C ZINC000757152760 582537203 /nfs/dbraw/zinc/53/72/03/582537203.db2.gz UVVZTCAVXGMFNF-VIFPVBQESA-N 1 0 215.362 2.244 10 0 BEAERO C1CC2(C1)CC[NH2+][C@@]1(CCCSC1)O2 ZINC000757153557 582538185 /nfs/dbraw/zinc/53/81/85/582538185.db2.gz XOFZFVCQTFNLSS-NSHDSACASA-N 1 0 213.346 2.142 10 0 BEAERO C[NH2+][C@H](C)[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757158632 582540419 /nfs/dbraw/zinc/54/04/19/582540419.db2.gz OETXLLIJTMSYNY-BXKDBHETSA-N 1 0 227.735 2.160 10 0 BEAERO COCC[NH2+]CCSCc1occc1C ZINC000757163206 582545499 /nfs/dbraw/zinc/54/54/99/582545499.db2.gz CXSPIEIGFGQBKL-UHFFFAOYSA-N 1 0 229.345 2.057 10 0 BEAERO [NH3+]C[C@H]1CC(=O)Nc2c(Cl)c(Cl)ccc21 ZINC000757176088 582552309 /nfs/dbraw/zinc/55/23/09/582552309.db2.gz YUNGKZKZPPPVCS-RXMQYKEDSA-N 1 0 245.109 2.378 10 0 BEAERO C[C@H](NCc1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000400357279 533920372 /nfs/dbraw/zinc/92/03/72/533920372.db2.gz OUUFWOHNMJFTQP-UWVGGRQHSA-N 1 0 240.297 2.052 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)C(C)C ZINC000060955989 535646273 /nfs/dbraw/zinc/64/62/73/535646273.db2.gz QJZUIKZVKCCUNU-NWDGAFQWSA-N 1 0 243.395 2.060 10 0 BEAERO C[C@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401501984 534136982 /nfs/dbraw/zinc/13/69/82/534136982.db2.gz PFZBBKFEXYAVMD-YRGRVCCFSA-N 1 0 219.328 2.450 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087611791 518856919 /nfs/dbraw/zinc/85/69/19/518856919.db2.gz KYSSUBYNEALTEJ-LBPRGKRZSA-N 1 0 233.311 2.215 10 0 BEAERO CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251101764 534613955 /nfs/dbraw/zinc/61/39/55/534613955.db2.gz AJTJPCLJSALYBS-HBNTYKKESA-N 1 0 211.349 2.436 10 0 BEAERO Cc1cccc(C[N@H+]2CC[C@@H]3C[C@H](C)O[C@@H]3C2)n1 ZINC000503718563 534712531 /nfs/dbraw/zinc/71/25/31/534712531.db2.gz GDUVXQZJDDWPBZ-GZBFAFLISA-N 1 0 246.354 2.389 10 0 BEAERO CCc1ccc(C(=O)NCCCCC[NH3+])cc1 ZINC000079867793 523890171 /nfs/dbraw/zinc/89/01/71/523890171.db2.gz WFJIDGFPHZIUJF-UHFFFAOYSA-N 1 0 234.343 2.108 10 0 BEAERO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C ZINC000306274001 524594797 /nfs/dbraw/zinc/59/47/97/524594797.db2.gz JRWSHTPBPKDBAQ-VWYCJHECSA-N 1 0 242.363 2.288 10 0 BEAERO Cc1ccc(Nc2nc(C)c(C)c(NN)[nH+]2)cc1 ZINC000057331507 525324396 /nfs/dbraw/zinc/32/43/96/525324396.db2.gz CAPORBLETOCUDK-UHFFFAOYSA-N 1 0 243.314 2.431 10 0 BEAERO C[NH2+][C@H](C)c1ccccc1N1CCO[C@H](C)C1 ZINC000034838137 536406734 /nfs/dbraw/zinc/40/67/34/536406734.db2.gz CIJVVHCYVIJVSY-VXGBXAGGSA-N 1 0 234.343 2.192 10 0 BEAERO C[NH2+]Cc1cc(N2CCC(C)CC2)ccn1 ZINC000051399041 536469161 /nfs/dbraw/zinc/46/91/61/536469161.db2.gz ODRIAHMDPGNBBO-UHFFFAOYSA-N 1 0 219.332 2.037 10 0 BEAERO C[NH2+]Cc1cccnc1N1CCCC[C@@H]1C ZINC000051399345 536470349 /nfs/dbraw/zinc/47/03/49/536470349.db2.gz CXVGFXYYMWILHK-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO [NH3+][C@H]1CCCN(c2cc(-c3ccsc3)[nH]n2)C1 ZINC000229644858 527401017 /nfs/dbraw/zinc/40/10/17/527401017.db2.gz GBIYUHNSTKIUPY-JTQLQIEISA-N 1 0 248.355 2.066 10 0 BEAERO CC[C@@H]1CCCC[N@@H+]1Cc1nnc(C)n1CC ZINC000195007383 529274381 /nfs/dbraw/zinc/27/43/81/529274381.db2.gz AMYKAYPCWMLMAX-GFCCVEGCSA-N 1 0 236.363 2.371 10 0 BEAERO CCCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185124356 534978418 /nfs/dbraw/zinc/97/84/18/534978418.db2.gz GLQJLXUXIRSFMA-YNEHKIRRSA-N 1 0 238.375 2.153 10 0 BEAERO CCCNC(=O)CC[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000070762283 535049317 /nfs/dbraw/zinc/04/93/17/535049317.db2.gz GBQMZZRQFNWZIP-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@H]2CCSC2)[C@@H]2CCO[C@@H]21 ZINC000226382659 535073432 /nfs/dbraw/zinc/07/34/32/535073432.db2.gz XYWWRDMRGBUJKY-KXNHARMFSA-N 1 0 241.400 2.143 10 0 BEAERO CC1(C)[C@H]([NH2+]Cc2cncs2)[C@H]2CCO[C@H]21 ZINC000227977558 535075009 /nfs/dbraw/zinc/07/50/09/535075009.db2.gz SUAROUUWDFNPMV-GMTAPVOTSA-N 1 0 238.356 2.046 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2CC=CCC2)[C@H]2CCO[C@@H]21 ZINC000251135898 535076274 /nfs/dbraw/zinc/07/62/74/535076274.db2.gz HWWVCZSOBVLAKT-LPWJVIDDSA-N 1 0 221.344 2.498 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000226510026 535076666 /nfs/dbraw/zinc/07/66/66/535076666.db2.gz HWWVCZSOBVLAKT-XQHKEYJVSA-N 1 0 221.344 2.498 10 0 BEAERO CC(C)(C)c1ccnc(NC2CCC([NH3+])CC2)n1 ZINC000261564306 535134847 /nfs/dbraw/zinc/13/48/47/535134847.db2.gz HESUGFRRRKQQAZ-UHFFFAOYSA-N 1 0 248.374 2.456 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C ZINC000175835891 535165378 /nfs/dbraw/zinc/16/53/78/535165378.db2.gz XAUPVQSSBDJAAR-QWHCGFSZSA-N 1 0 238.375 2.260 10 0 BEAERO CC(C)[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1 ZINC000050395349 535226137 /nfs/dbraw/zinc/22/61/37/535226137.db2.gz JZPXWTBERVMVTH-ZIAGYGMSSA-N 1 0 246.354 2.252 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC)C12CCOCC2 ZINC000248919763 535512361 /nfs/dbraw/zinc/51/23/61/535512361.db2.gz DVUFZOXPZJEDRJ-RWMBFGLXSA-N 1 0 241.375 2.349 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000249614944 535541629 /nfs/dbraw/zinc/54/16/29/535541629.db2.gz TYSUAUATUFGURP-VXGBXAGGSA-N 1 0 222.332 2.415 10 0 BEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(C=O)cc2)CC1 ZINC000002458122 535566590 /nfs/dbraw/zinc/56/65/90/535566590.db2.gz RKPDSEUYOKGBBE-CYBMUJFWSA-N 1 0 246.354 2.420 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1cccc(F)c1F ZINC000035785000 535825288 /nfs/dbraw/zinc/82/52/88/535825288.db2.gz VMOCESUGFYLALB-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO CCc1cccc(N2CC[NH2+][C@H](CC)C2)c1 ZINC000016944829 535892360 /nfs/dbraw/zinc/89/23/60/535892360.db2.gz FKEOKZBCUIUIML-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO CCc1cccc(N2CC[NH2+][C@@H](C)C2)c1 ZINC000016944706 535892817 /nfs/dbraw/zinc/89/28/17/535892817.db2.gz DBWKTAJLPVRTQP-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261959106 535930046 /nfs/dbraw/zinc/93/00/46/535930046.db2.gz KSIIPWQUJDZSJT-UHIISALHSA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)C1CC1 ZINC000168001040 535932486 /nfs/dbraw/zinc/93/24/86/535932486.db2.gz SLEYBCITYXIAID-FRRDWIJNSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C)n1CC ZINC000348171733 536075919 /nfs/dbraw/zinc/07/59/19/536075919.db2.gz VQOHJZVOJILSRT-RYUDHWBXSA-N 1 0 236.363 2.275 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000227614339 536102572 /nfs/dbraw/zinc/10/25/72/536102572.db2.gz HWBJTXBQHXXLRO-TZMCWYRMSA-N 1 0 236.359 2.149 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180505154 536175082 /nfs/dbraw/zinc/17/50/82/536175082.db2.gz QXDDKRQRSFDCLS-WDEREUQCSA-N 1 0 236.363 2.104 10 0 BEAERO CCc1ccc(N2CC[NH2+][C@H](C)C2)cc1 ZINC000016944718 536184959 /nfs/dbraw/zinc/18/49/59/536184959.db2.gz VLSBBWDTQXQXNQ-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO C[NH2+][C@@H](C)Cc1noc(/C=C/C2CCC2)n1 ZINC000261777002 536347993 /nfs/dbraw/zinc/34/79/93/536347993.db2.gz NOJBISBOLIEITB-UCUJLANTSA-N 1 0 221.304 2.033 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccccc2F)[C@H](C)C1 ZINC000049708735 536378364 /nfs/dbraw/zinc/37/83/64/536378364.db2.gz RNGVQQFLAAGULC-GHMZBOCLSA-N 1 0 222.307 2.402 10 0 BEAERO C[NH2+][C@H](C)CN1CCCc2ccccc21 ZINC000043814922 536388584 /nfs/dbraw/zinc/38/85/84/536388584.db2.gz QICSNXYRXDVTDM-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO C[NH2+]C[C@@H]1CCCN1C[C@H]1CCCC(F)(F)C1 ZINC000261538215 536458496 /nfs/dbraw/zinc/45/84/96/536458496.db2.gz SHSNVGWNJXGSBF-RYUDHWBXSA-N 1 0 246.345 2.496 10 0 BEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000085374498 536807507 /nfs/dbraw/zinc/80/75/07/536807507.db2.gz MIMWGORFCDYHRV-RYUDHWBXSA-N 1 0 248.326 2.070 10 0 BEAERO CC[C@H](C(=O)C1CC1)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000308788521 566299847 /nfs/dbraw/zinc/29/98/47/566299847.db2.gz BDIYTTMKYDJPMT-ZMLRMANQSA-N 1 0 209.333 2.380 10 0 BEAERO COc1ccccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136292589 566318499 /nfs/dbraw/zinc/31/84/99/566318499.db2.gz CXQJTEGAQAVSQQ-SNVBAGLBSA-N 1 0 236.315 2.007 10 0 BEAERO C[C@H]1CC([C@@](O)(C[NH3+])C(F)(F)F)=C[C@@H](C)C1 ZINC000675052270 566374627 /nfs/dbraw/zinc/37/46/27/566374627.db2.gz CPDXNHCMYRADAN-XKSSXDPKSA-N 1 0 237.265 2.231 10 0 BEAERO [NH3+]CCc1c[nH]c(-c2cccc(Cl)c2)n1 ZINC000013531736 560218782 /nfs/dbraw/zinc/21/87/82/560218782.db2.gz DHGUFKPZDMQBED-UHFFFAOYSA-N 1 0 221.691 2.231 10 0 in-vitro BEAERO Cc1cccc(CCNc2cc(C)[nH+]c(N)n2)c1 ZINC000111249318 588737067 /nfs/dbraw/zinc/73/70/67/588737067.db2.gz ZXENVKKBKKVBHT-UHFFFAOYSA-N 1 0 242.326 2.330 10 0 BEAERO CC[C@@H](C)C(=O)c1nc(C)c(CC[NH3+])s1 ZINC000757124693 582499319 /nfs/dbraw/zinc/49/93/19/582499319.db2.gz NXESRPDGZRSYEP-SSDOTTSWSA-N 1 0 226.345 2.182 10 0 BEAERO C[NH2+]Cc1sc(C(=O)C2CCC2)nc1C ZINC000757125660 582499865 /nfs/dbraw/zinc/49/98/65/582499865.db2.gz SDXZZYVKHHIJCY-UHFFFAOYSA-N 1 0 224.329 2.154 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@]2(CCCN2CC(F)(F)F)C1 ZINC000757126862 582501187 /nfs/dbraw/zinc/50/11/87/582501187.db2.gz HHQKEGFNBFZOSR-VHSXEESVSA-N 1 0 236.281 2.013 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CC1CC1 ZINC000757126569 582501528 /nfs/dbraw/zinc/50/15/28/582501528.db2.gz GCQOXTAZGKOREY-WCQYABFASA-N 1 0 208.349 2.003 10 0 BEAERO C[NH2+]Cc1sc(C(=O)CC(C)C)nc1C ZINC000757127283 582502098 /nfs/dbraw/zinc/50/20/98/582502098.db2.gz YIJRBBCDBMCDHN-UHFFFAOYSA-N 1 0 226.345 2.400 10 0 BEAERO FC(F)(F)CN1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757132582 582507945 /nfs/dbraw/zinc/50/79/45/582507945.db2.gz RLPDQCLWOFYAQC-NSHDSACASA-N 1 0 248.292 2.109 10 0 BEAERO Nc1ccc(Br)cc1[C@H]([NH3+])CF ZINC000757133089 582509381 /nfs/dbraw/zinc/50/93/81/582509381.db2.gz GKYAGOGXXNQCJL-MRVPVSSYSA-N 1 0 233.084 2.001 10 0 BEAERO Cc1cc([C@H]2C[C@@H]3CC[NH2+]C[C@@H]32)c(C)[nH]1 ZINC000757139121 582518869 /nfs/dbraw/zinc/51/88/69/582518869.db2.gz DFZVFSHCTZRPSE-UHTWSYAYSA-N 1 0 204.317 2.345 10 0 BEAERO C1OCC12C[NH2+]C1(CCCCCCC1)OC2 ZINC000757139089 582519170 /nfs/dbraw/zinc/51/91/70/582519170.db2.gz FKBNCWCTEVBHHE-UHFFFAOYSA-N 1 0 225.332 2.063 10 0 BEAERO C[NH+]1CCC2(CC1)N[C@@H](c1ccccc1)CCO2 ZINC000757139015 582519318 /nfs/dbraw/zinc/51/93/18/582519318.db2.gz CRZSFNGUJQIPRS-CQSZACIVSA-N 1 0 246.354 2.160 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757139175 582519447 /nfs/dbraw/zinc/51/94/47/582519447.db2.gz GBXJNWCMMTTWAC-ZETCQYMHSA-N 1 0 241.228 2.046 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757139760 582520357 /nfs/dbraw/zinc/52/03/57/582520357.db2.gz HOGHXCNWASCMIS-FZMZJTMJSA-N 1 0 239.359 2.165 10 0 BEAERO CC(C)[C@@H]1[NH2+][C@@]2(CCCOC2)OCC1(C)C ZINC000757140805 582520709 /nfs/dbraw/zinc/52/07/09/582520709.db2.gz CARVZMJNGDFECI-AAEUAGOBSA-N 1 0 227.348 2.164 10 0 BEAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757141032 582521468 /nfs/dbraw/zinc/52/14/68/582521468.db2.gz KLHBRDPZWKCTML-TZMCWYRMSA-N 1 0 239.359 2.309 10 0 BEAERO c1ccc([C@@H]2CCOC3(CCOCC3)[NH2+]2)cc1 ZINC000757143049 582523285 /nfs/dbraw/zinc/52/32/85/582523285.db2.gz VAFZKFYRTSRKEE-ZDUSSCGKSA-N 1 0 233.311 2.244 10 0 BEAERO C[C@@H]1C[C@@H](C)OC2(CC(C)(C)[NH2+]C(C)(C)C2)N1 ZINC000757144953 582526720 /nfs/dbraw/zinc/52/67/20/582526720.db2.gz HMTXQMSQAKHVJY-GHMZBOCLSA-N 1 0 240.391 2.410 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+][C@]2(CCCSC2)OC1 ZINC000757152405 582536723 /nfs/dbraw/zinc/53/67/23/582536723.db2.gz RZXWORYEFQFPGW-ZYHUDNBSSA-N 1 0 229.389 2.492 10 0 BEAERO CC(C)[C@@H]1O[C@]2(CCCOC2)[NH2+]CC1(C)C ZINC000757152606 582537551 /nfs/dbraw/zinc/53/75/51/582537551.db2.gz SYCLMLJFRRCWFL-AAEUAGOBSA-N 1 0 227.348 2.164 10 0 BEAERO Cc1cc(CSC(=[NH2+])NN)ccc1Cl ZINC000757155432 582539674 /nfs/dbraw/zinc/53/96/74/582539674.db2.gz BQBZDTMHSRWLMT-UHFFFAOYSA-N 1 0 229.736 2.280 10 0 BEAERO Cc1cc(C[S@](=O)C[C@@H](C)[NH3+])ccc1Cl ZINC000757155961 582539691 /nfs/dbraw/zinc/53/96/91/582539691.db2.gz GFRFRPFJUHCTPQ-RFAUZJTJSA-N 1 0 245.775 2.244 10 0 BEAERO C[NH2+][C@H](C)C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757157492 582540252 /nfs/dbraw/zinc/54/02/52/582540252.db2.gz LWYZXENMIFIETO-SECBINFHSA-N 1 0 225.719 2.368 10 0 BEAERO Cc1ccoc1CSCCO[C@@H](C)C[NH3+] ZINC000757166088 582547976 /nfs/dbraw/zinc/54/79/76/582547976.db2.gz OLDTYFNCFYFNOG-JTQLQIEISA-N 1 0 229.345 2.185 10 0 BEAERO Cc1ccoc1CSCCO[C@H](C)C[NH3+] ZINC000757166090 582548214 /nfs/dbraw/zinc/54/82/14/582548214.db2.gz OLDTYFNCFYFNOG-SNVBAGLBSA-N 1 0 229.345 2.185 10 0 BEAERO [NH3+][C@@H]1CCOC[C@H]1SCc1ccc(Cl)o1 ZINC000757171610 582551228 /nfs/dbraw/zinc/55/12/28/582551228.db2.gz UVFIDVWSXTWAMS-RKDXNWHRSA-N 1 0 247.747 2.282 10 0 BEAERO [NH3+][C@@H]1CCOC[C@@H]1SCc1ccc(Cl)o1 ZINC000757171605 582551295 /nfs/dbraw/zinc/55/12/95/582551295.db2.gz UVFIDVWSXTWAMS-BDAKNGLRSA-N 1 0 247.747 2.282 10 0 BEAERO Cc1ccncc1C1(C[NH3+])CC(F)(F)C1 ZINC000757191444 582556570 /nfs/dbraw/zinc/55/65/70/582556570.db2.gz PNKMWYSICIUJEV-UHFFFAOYSA-N 1 0 212.243 2.016 10 0 BEAERO CC1(c2ccc([C@H]3CC[NH2+]C[C@H]3N)cc2)CC1 ZINC000757213020 582561142 /nfs/dbraw/zinc/56/11/42/582561142.db2.gz KRUKZVWMEUXDGR-ZIAGYGMSSA-N 1 0 230.355 2.142 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757218017 582562518 /nfs/dbraw/zinc/56/25/18/582562518.db2.gz UQJVWJSRKFMKCX-MFKMUULPSA-N 1 0 203.285 2.212 10 0 BEAERO COCCCC[N@H+](C)C1(CN)CCCCC1 ZINC000130813405 582595245 /nfs/dbraw/zinc/59/52/45/582595245.db2.gz KBRSKBZNEBVXHI-UHFFFAOYSA-N 1 0 228.380 2.006 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](C)C[C@H]2C(F)(F)F ZINC000235713885 582604894 /nfs/dbraw/zinc/60/48/94/582604894.db2.gz OOQNSERUCVUAMU-FSPLSTOPSA-N 1 0 219.210 2.499 10 0 BEAERO Fc1ccc([C@H]2CCNc3[nH+]ccn32)cc1 ZINC000236239646 582642274 /nfs/dbraw/zinc/64/22/74/582642274.db2.gz CMWLZCGTWUCOET-LLVKDONJSA-N 1 0 217.247 2.427 10 0 BEAERO Clc1ccc(-c2cnnn2[C@H]2CC[NH2+]C2)cc1 ZINC000259200931 582808742 /nfs/dbraw/zinc/80/87/42/582808742.db2.gz FOSAJZBKLNDVBF-NSHDSACASA-N 1 0 248.717 2.133 10 0 BEAERO CC[C@@H]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000128045203 582825107 /nfs/dbraw/zinc/82/51/07/582825107.db2.gz GXLXTGZXJUZONS-GHMZBOCLSA-N 1 0 247.342 2.362 10 0 BEAERO CC[C@H]1CC[NH2+][C@H](CC(=O)C2(Cl)CC2)C1 ZINC000702366379 582925998 /nfs/dbraw/zinc/92/59/98/582925998.db2.gz YHGBCJDPAJHICI-UWVGGRQHSA-N 1 0 229.751 2.495 10 0 BEAERO C[C@H](Cn1cc[nH+]c1N)CC(F)(F)F ZINC000702623200 582926442 /nfs/dbraw/zinc/92/64/42/582926442.db2.gz QTQDEJKVPYAOJT-LURJTMIESA-N 1 0 207.199 2.054 10 0 BEAERO Cc1cnn(C)c1[C@H]1[NH2+]CCc2sccc21 ZINC000709190152 582993326 /nfs/dbraw/zinc/99/33/26/582993326.db2.gz MXSIKCZLKANDIV-NSHDSACASA-N 1 0 233.340 2.025 10 0 BEAERO O=C1CCCN1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114445499 588874634 /nfs/dbraw/zinc/87/46/34/588874634.db2.gz XGVSQDGLILXVKI-HNNXBMFYSA-N 1 0 248.370 2.389 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1N1CC(C)(C)OC(C)(C)C1 ZINC000396624444 583086585 /nfs/dbraw/zinc/08/65/85/583086585.db2.gz DJUHUNRCNKYWRJ-NEPJUHHUSA-N 1 0 240.391 2.016 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCN[C@@H]2C)C1 ZINC000396662732 583087823 /nfs/dbraw/zinc/08/78/23/583087823.db2.gz HJADJLLIWJBNFI-YVECIDJPSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1N(C)C1CCCCC1 ZINC000396721488 583089600 /nfs/dbraw/zinc/08/96/00/583089600.db2.gz UDVHILGGRQWVIK-DGCLKSJQSA-N 1 0 210.365 2.391 10 0 BEAERO C[C@@H]1C[C@]2(CCO1)[NH2+]CCc1sccc12 ZINC000397127302 583097239 /nfs/dbraw/zinc/09/72/39/583097239.db2.gz CIWWESKFAGSEGM-SKDRFNHKSA-N 1 0 223.341 2.288 10 0 BEAERO C[C@@H]1C[C@@]2(CCO1)[NH2+]CCc1sccc12 ZINC000397127293 583097251 /nfs/dbraw/zinc/09/72/51/583097251.db2.gz CIWWESKFAGSEGM-BXKDBHETSA-N 1 0 223.341 2.288 10 0 BEAERO COCC[NH2+]C[C@H](CCOC)c1ccccc1 ZINC000088099425 584907394 /nfs/dbraw/zinc/90/73/94/584907394.db2.gz MKQDAYQNFDWMQK-AWEZNQCLSA-N 1 0 237.343 2.043 10 0 BEAERO Cc1nccnc1[C@@H](C)[NH2+]CCOCC(C)C ZINC000219117044 585125780 /nfs/dbraw/zinc/12/57/80/585125780.db2.gz KJRBTKWQJOATSA-GFCCVEGCSA-N 1 0 237.347 2.108 10 0 BEAERO CC[C@](O)(C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757161501 586432120 /nfs/dbraw/zinc/43/21/20/586432120.db2.gz VZOWJZKJYWTPBW-GFCCVEGCSA-N 1 0 227.735 2.291 10 0 BEAERO C[NH2+]CC[S@@](=O)Cc1ccc(Cl)c(C)c1 ZINC000757160908 586432213 /nfs/dbraw/zinc/43/22/13/586432213.db2.gz UGWXDPVMPUZQFR-OAHLLOKOSA-N 1 0 245.775 2.117 10 0 BEAERO Cc1cc(C[C@@H](O)C2([NH3+])CC2)ccc1Cl ZINC000757161335 586432298 /nfs/dbraw/zinc/43/22/98/586432298.db2.gz VFPDYNSJWPMCAZ-LLVKDONJSA-N 1 0 225.719 2.043 10 0 BEAERO Cc1cc(CC(=O)C2([NH3+])CC2)ccc1Cl ZINC000757161662 586432678 /nfs/dbraw/zinc/43/26/78/586432678.db2.gz XPYNWJSXCPUYSV-UHFFFAOYSA-N 1 0 223.703 2.251 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183299 586433469 /nfs/dbraw/zinc/43/34/69/586433469.db2.gz NMQANSDCKSXIPH-PTRXPTGYSA-N 1 0 231.311 2.184 10 0 BEAERO C[C@H]1C[NH2+]CC[C@@H]1c1ccc(C=O)s1 ZINC000757207083 586437500 /nfs/dbraw/zinc/43/75/00/586437500.db2.gz AYBRUFQURNVIGS-WPRPVWTQSA-N 1 0 209.314 2.274 10 0 BEAERO CC1(c2ccc([C@@H]3NCCC[C@@H]3[NH3+])cc2)CC1 ZINC000757208380 586437895 /nfs/dbraw/zinc/43/78/95/586437895.db2.gz CLSXFGSEKGYGBD-KBPBESRZSA-N 1 0 230.355 2.490 10 0 BEAERO C[C@H]1CC[C@@H](c2cccc(C=O)c2)C[NH2+]1 ZINC000757215341 586440662 /nfs/dbraw/zinc/44/06/62/586440662.db2.gz NDILJHGBSQBBFA-GXFFZTMASA-N 1 0 203.285 2.355 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1c1ccc(C=O)s1 ZINC000757217791 586441500 /nfs/dbraw/zinc/44/15/00/586441500.db2.gz SJGILBGZVUCIKP-WCBMZHEXSA-N 1 0 209.314 2.416 10 0 BEAERO CC1(C)CCC[C@]2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000757217992 586441631 /nfs/dbraw/zinc/44/16/31/586441631.db2.gz LVHUSVKIYXAGNU-ZWNOBZJWSA-N 1 0 225.332 2.237 10 0 BEAERO CCOC(=O)[C@@H]1CC[C@@H](c2ccsc2)[NH2+]C1 ZINC000757219360 586442212 /nfs/dbraw/zinc/44/22/12/586442212.db2.gz YETYJJCYMAYTKL-KOLCDFICSA-N 1 0 239.340 2.352 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1CCC[NH2+][C@H]1C ZINC000757228650 586442735 /nfs/dbraw/zinc/44/27/35/586442735.db2.gz DOEVLMJUIDYDFA-CMPLNLGQSA-N 1 0 204.317 2.433 10 0 BEAERO NC[C@@H]1C[C@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757234310 586443246 /nfs/dbraw/zinc/44/32/46/586443246.db2.gz KMIGZLYMDDDCPL-SFYZADRCSA-N 1 0 246.326 2.480 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000757232465 586443382 /nfs/dbraw/zinc/44/33/82/586443382.db2.gz IIVYYLPAIACXGM-KOLCDFICSA-N 1 0 204.317 2.290 10 0 BEAERO [NH3+]Cc1cccc(-c2ccc(C=O)nc2)c1 ZINC000757567338 586461810 /nfs/dbraw/zinc/46/18/10/586461810.db2.gz QEAVTFNAQDATOA-UHFFFAOYSA-N 1 0 212.252 2.020 10 0 BEAERO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000822162151 587321935 /nfs/dbraw/zinc/32/19/35/587321935.db2.gz SYJHBSWDHWCSML-QJPTWQEYSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCCN2C)c(C)o1 ZINC000119233225 589252234 /nfs/dbraw/zinc/25/22/34/589252234.db2.gz BANBFKWMQVXGNK-ZDUSSCGKSA-N 1 0 222.332 2.080 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)c(C)o1 ZINC000121059737 589492139 /nfs/dbraw/zinc/49/21/39/589492139.db2.gz XKTKPJNTZCVYIC-YPMHNXCESA-N 1 0 223.316 2.147 10 0 BEAERO [NH3+]C1CCC(Nc2cccc(Cl)n2)CC1 ZINC000122898142 589643125 /nfs/dbraw/zinc/64/31/25/589643125.db2.gz ZPGGCHBSGNTQMB-UHFFFAOYSA-N 1 0 225.723 2.417 10 0 BEAERO CSCC[C@@H](C)[N@H+](C)CCC(C)=O ZINC000122948717 589645332 /nfs/dbraw/zinc/64/53/32/589645332.db2.gz MBBRPZDPVYZHNJ-SECBINFHSA-N 1 0 203.351 2.039 10 0 BEAERO COc1c(C[NH2+]CCC2CCC2)c(C)nn1C ZINC000122996705 589647978 /nfs/dbraw/zinc/64/79/78/589647978.db2.gz ZGEVIVBBMBRFTK-UHFFFAOYSA-N 1 0 237.347 2.017 10 0 BEAERO COC(C[NH2+][C@H]1CCCC[C@@H]1C(C)C)OC ZINC000125689151 590181586 /nfs/dbraw/zinc/18/15/86/590181586.db2.gz UPSAHLKAIDNWGI-NEPJUHHUSA-N 1 0 229.364 2.410 10 0 BEAERO C[C@@H](CCO)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000127677001 590749697 /nfs/dbraw/zinc/74/96/97/590749697.db2.gz MHIBPMUAOICPQJ-IACUBPJLSA-N 1 0 219.328 2.151 10 0 BEAERO CCc1cc(C[NH2+][C@@H]2CCCSC2)on1 ZINC000128291099 590965485 /nfs/dbraw/zinc/96/54/85/590965485.db2.gz HYFCOIAURDQDJU-SNVBAGLBSA-N 1 0 226.345 2.222 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCCCCC1 ZINC000128885348 591175276 /nfs/dbraw/zinc/17/52/76/591175276.db2.gz HNDDHRQWHZCEQY-GFCCVEGCSA-N 1 0 226.364 2.153 10 0 BEAERO Cc1cc(O)c(Br)cc1[C@H](C)[NH3+] ZINC000212233081 591329260 /nfs/dbraw/zinc/32/92/60/591329260.db2.gz HEJWTBOIEYGQJY-LURJTMIESA-N 1 0 230.105 2.483 10 0 BEAERO COCCOC[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000130249446 591451619 /nfs/dbraw/zinc/45/16/19/591451619.db2.gz TXAFRLLXVSDQMD-NEPJUHHUSA-N 1 0 229.364 2.206 10 0 BEAERO CCCC[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000026399337 591490321 /nfs/dbraw/zinc/49/03/21/591490321.db2.gz FVGCWHKHUYQKMI-LLVKDONJSA-N 1 0 220.316 2.142 10 0 BEAERO COC(=O)/C(C)=C\CN(C)Cc1ccc(C)o1 ZINC000214587057 591635248 /nfs/dbraw/zinc/63/52/48/591635248.db2.gz HHFKBZRYXIQHPJ-YFHOEESVSA-N 1 0 237.299 2.139 10 0 BEAERO C([NH2+][C@H]1CCCSC1)[C@H]1CSCCS1 ZINC000131700717 591642577 /nfs/dbraw/zinc/64/25/77/591642577.db2.gz PYBDOTMYGSILOB-UWVGGRQHSA-N 1 0 249.470 2.320 10 0 BEAERO CCO[C@@H]1C[C@@H]([NH2+]CC2(C)CCCC2)[C@@H]1OC ZINC000131702365 591643954 /nfs/dbraw/zinc/64/39/54/591643954.db2.gz XWDHGDZKFXEFEE-UPJWGTAASA-N 1 0 241.375 2.349 10 0 BEAERO CC(C)CCCC[NH2+]C1CCN(C)CC1 ZINC000131825498 591666955 /nfs/dbraw/zinc/66/69/55/591666955.db2.gz KNDFLAZDTWOYEM-UHFFFAOYSA-N 1 0 212.381 2.497 10 0 BEAERO O[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000214665428 591701620 /nfs/dbraw/zinc/70/16/20/591701620.db2.gz YHPZSABRPMSIBK-ZIAGYGMSSA-N 1 0 235.302 2.174 10 0 BEAERO C[C@@H](CCO)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000132967797 591751116 /nfs/dbraw/zinc/75/11/16/591751116.db2.gz IFQDAVUKGGYCCO-VIFPVBQESA-N 1 0 242.388 2.301 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000133276936 591780870 /nfs/dbraw/zinc/78/08/70/591780870.db2.gz JJRAESMBLGXORC-AGVGLQIMSA-N 1 0 240.347 2.040 10 0 BEAERO CCC1(CC)[C@H]([N@H+](C)CCC(C)=O)C[C@@H]1OC ZINC000133434446 591791372 /nfs/dbraw/zinc/79/13/72/591791372.db2.gz IQMAZMXZEPTFDA-OLZOCXBDSA-N 1 0 241.375 2.491 10 0 BEAERO CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000133698391 591847886 /nfs/dbraw/zinc/84/78/86/591847886.db2.gz XCMPZLWUOHRRQN-VXGBXAGGSA-N 1 0 226.364 2.214 10 0 BEAERO CC[C@H](C)c1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000134615070 591942064 /nfs/dbraw/zinc/94/20/64/591942064.db2.gz CTVRDGRYTXJFMW-VHSXEESVSA-N 1 0 223.320 2.125 10 0 BEAERO O[C@@H](C[NH2+][C@H]1CCCSC1)c1ccsc1 ZINC000134806799 591951466 /nfs/dbraw/zinc/95/14/66/591951466.db2.gz CYJGTTHCDMNUNI-QWRGUYRKSA-N 1 0 243.397 2.267 10 0 BEAERO C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CCCSC1 ZINC000134812638 591952414 /nfs/dbraw/zinc/95/24/14/591952414.db2.gz VBSDXBMCIBMSCX-GHMZBOCLSA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@@H](O)CCC[NH2+][C@H]1CCCSC1 ZINC000134812591 591952425 /nfs/dbraw/zinc/95/24/25/591952425.db2.gz NTAYVWHZHKMAHS-WDEREUQCSA-N 1 0 217.378 2.023 10 0 BEAERO Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1cn[nH]c1)C2 ZINC000134848962 591953478 /nfs/dbraw/zinc/95/34/78/591953478.db2.gz KWCXBQRFPXOHQR-ZDUSSCGKSA-N 1 0 247.729 2.320 10 0 BEAERO CC[N@@H+]1CC[C@H](N(C)C/C=C/Cl)[C@H](C)C1 ZINC000135249286 591999603 /nfs/dbraw/zinc/99/96/03/591999603.db2.gz XZFBJBAKORTTNV-BAEOLTKYSA-N 1 0 230.783 2.401 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000135286575 592003098 /nfs/dbraw/zinc/00/30/98/592003098.db2.gz MRNOHURODHDYIG-CYBMUJFWSA-N 1 0 240.391 2.400 10 0 BEAERO O[C@@H](C[NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000135379309 592011066 /nfs/dbraw/zinc/01/10/66/592011066.db2.gz FVEMJHMZUJRIFQ-HNNXBMFYSA-N 1 0 242.322 2.095 10 0 BEAERO C[C@H](C[NH2+]Cc1cncc2ccccc21)N(C)C ZINC000135378090 592011108 /nfs/dbraw/zinc/01/11/08/592011108.db2.gz XLJVEDRPEAWOTK-GFCCVEGCSA-N 1 0 243.354 2.275 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cnccc1C ZINC000135458270 592013475 /nfs/dbraw/zinc/01/34/75/592013475.db2.gz WXWDCELNKFPXSL-QWHCGFSZSA-N 1 0 220.316 2.047 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)C1CC1 ZINC000216254137 592015833 /nfs/dbraw/zinc/01/58/33/592015833.db2.gz LYTMRCKOQNYODA-CKYFFXLPSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@H]1C[C@H](CCNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000217120753 592100026 /nfs/dbraw/zinc/10/00/26/592100026.db2.gz IAIZJKYUFUMGRL-MNOVXSKESA-N 1 0 242.363 2.289 10 0 BEAERO CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COC(C)C ZINC000218848348 592187344 /nfs/dbraw/zinc/18/73/44/592187344.db2.gz CFWSYPSOXLSOBL-BFHYXJOUSA-N 1 0 243.391 2.331 10 0 BEAERO Cc1nccnc1[C@H](C)NCc1cncs1 ZINC000219251682 592220462 /nfs/dbraw/zinc/22/04/62/592220462.db2.gz YZJSFIPIHCHHIC-VIFPVBQESA-N 1 0 234.328 2.092 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=[NH2+])NC1CCCC1 ZINC000300357924 592506946 /nfs/dbraw/zinc/50/69/46/592506946.db2.gz WNULOFOQPNGEFS-GXSJLCMTSA-N 1 0 209.337 2.232 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1c1nc([C@H]2CC2(C)C)no1 ZINC000300345228 592507545 /nfs/dbraw/zinc/50/75/45/592507545.db2.gz WGCUIHVKOXJAHV-DJLDLDEBSA-N 1 0 221.304 2.049 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000300374214 592509403 /nfs/dbraw/zinc/50/94/03/592509403.db2.gz BMWCUJRJTIRAFO-HZSPNIEDSA-N 1 0 219.328 2.498 10 0 BEAERO CCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000115629268 592709710 /nfs/dbraw/zinc/70/97/10/592709710.db2.gz IYUNTNKWVWFDAJ-LLVKDONJSA-N 1 0 242.363 2.386 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ncc[nH]2)CCO1 ZINC000124663450 634431420 /nfs/dbraw/zinc/43/14/20/634431420.db2.gz LCUYJZRGPRYDEU-HBNTYKKESA-N 1 0 223.320 2.018 10 0 BEAERO CCC1CCC([NH2+]Cc2cnc[nH]2)CC1 ZINC000054765208 634543882 /nfs/dbraw/zinc/54/38/82/634543882.db2.gz ARGXSAUBIRGETI-UHFFFAOYSA-N 1 0 207.321 2.468 10 0 BEAERO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)C(C)(C)C ZINC000054026711 635327400 /nfs/dbraw/zinc/32/74/00/635327400.db2.gz LBKSAAKRHYOKPA-RYUDHWBXSA-N 1 0 241.375 2.491 10 0 BEAERO C[C@@H]1C[N@H+](CCC(=O)C(C)(C)C)CC(C)(C)O1 ZINC000054026641 635329678 /nfs/dbraw/zinc/32/96/78/635329678.db2.gz VFYCTOXZKCFPEE-LLVKDONJSA-N 1 0 241.375 2.491 10 0 BEAERO CCO[C@H]1CCC[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000054026761 635330972 /nfs/dbraw/zinc/33/09/72/635330972.db2.gz UXSWJUGSZUDJKO-LBPRGKRZSA-N 1 0 241.375 2.493 10 0 BEAERO CCCCCC(C)(C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000094988670 635401404 /nfs/dbraw/zinc/40/14/04/635401404.db2.gz LFOSPSQYQPJSLW-LBPRGKRZSA-N 1 0 240.391 2.319 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000225473587 635409590 /nfs/dbraw/zinc/40/95/90/635409590.db2.gz RASMHTDVYNCSRK-IWSPIJDZSA-N 1 0 221.304 2.178 10 0 BEAERO CCCCCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996848 635509805 /nfs/dbraw/zinc/50/98/05/635509805.db2.gz INJACQDYEDKTRZ-NWDGAFQWSA-N 1 0 227.348 2.308 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000233378182 635533042 /nfs/dbraw/zinc/53/30/42/635533042.db2.gz CMUDDHPKWJTWEP-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1cccc(Cl)n1 ZINC000308561179 631433125 /nfs/dbraw/zinc/43/31/25/631433125.db2.gz XLGYKDLEHLBXRG-QMMMGPOBSA-N 1 0 213.712 2.274 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ncc[nH]1 ZINC000308998813 631785904 /nfs/dbraw/zinc/78/59/04/631785904.db2.gz YJIXRIYDWVWDTD-UKKRHICBSA-N 1 0 205.305 2.249 10 0 BEAERO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000051628321 631820529 /nfs/dbraw/zinc/82/05/29/631820529.db2.gz FJTDYBYSHRJLME-UONOGXRCSA-N 1 0 246.354 2.396 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000309058026 631832761 /nfs/dbraw/zinc/83/27/61/631832761.db2.gz VGPZHLHMPZQXRM-YUMQZZPRSA-N 1 0 231.698 2.338 10 0 BEAERO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000235097211 631953819 /nfs/dbraw/zinc/95/38/19/631953819.db2.gz ATCFOYADXKAGOP-DDHJBXDOSA-N 1 0 229.389 2.164 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000050369727 631979642 /nfs/dbraw/zinc/97/96/42/631979642.db2.gz LQNOEVVJBWAIPM-RYUDHWBXSA-N 1 0 209.333 2.332 10 0 BEAERO CCCNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000052044020 632051645 /nfs/dbraw/zinc/05/16/45/632051645.db2.gz FIVOPNQDQCGNSB-NEPJUHHUSA-N 1 0 217.316 2.066 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000161576340 632092310 /nfs/dbraw/zinc/09/23/10/632092310.db2.gz VCBQMKGQLQOPPD-HOSYDEDBSA-N 1 0 221.300 2.133 10 0 BEAERO C[C@@H]1C[C@@H]1c1noc([C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000252115823 635707913 /nfs/dbraw/zinc/70/79/13/635707913.db2.gz KFBNICUQTSYIIQ-RCWTZXSCSA-N 1 0 235.331 2.426 10 0 BEAERO COc1c(C)cnc(C[NH2+][C@H]2C[C@@H]2C)c1C ZINC000052287937 632116325 /nfs/dbraw/zinc/11/63/25/632116325.db2.gz YZLPGSCLBHHFTJ-KWQFWETISA-N 1 0 220.316 2.205 10 0 BEAERO Cc1ccc(Cc2nc([C@H](C)C[NH3+])no2)cc1 ZINC000054158916 635776265 /nfs/dbraw/zinc/77/62/65/635776265.db2.gz XWBIQFISXIAOPL-SNVBAGLBSA-N 1 0 231.299 2.031 10 0 BEAERO C[C@H](C[NH3+])c1noc(CCCc2ccccc2)n1 ZINC000054158888 635776275 /nfs/dbraw/zinc/77/62/75/635776275.db2.gz PCCXIQCTHWCQPX-LLVKDONJSA-N 1 0 245.326 2.307 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)C[NH3+])no2)cc1F ZINC000054158782 635776663 /nfs/dbraw/zinc/77/66/63/635776663.db2.gz WNXGTIVIGZPKMV-MRVPVSSYSA-N 1 0 235.262 2.246 10 0 BEAERO COC1CC([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000308907389 632394289 /nfs/dbraw/zinc/39/42/89/632394289.db2.gz CWIKWUWYITZQHH-WNYYMSAVSA-N 1 0 215.312 2.282 10 0 BEAERO CC[C@@H](C)c1noc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000309538216 632475926 /nfs/dbraw/zinc/47/59/26/632475926.db2.gz FLTJEVAHJGMXLY-ZJUUUORDSA-N 1 0 223.320 2.268 10 0 BEAERO COCC[C@@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309647000 632611934 /nfs/dbraw/zinc/61/19/34/632611934.db2.gz MOSUFTAPDGAFGS-ZWNOBZJWSA-N 1 0 222.332 2.407 10 0 BEAERO CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)C(C)(C)C ZINC000309700388 632654805 /nfs/dbraw/zinc/65/48/05/632654805.db2.gz MJKYHZPJXOFIHE-NSHDSACASA-N 1 0 249.420 2.224 10 0 BEAERO C[C@@H]1CN(Cc2cncc3ccccc32)C[C@@H]1[NH3+] ZINC000235396471 632698154 /nfs/dbraw/zinc/69/81/54/632698154.db2.gz KUDYTMZWJFJCEJ-ABAIWWIYSA-N 1 0 241.338 2.014 10 0 BEAERO CC1(C)[C@H](O)CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000310527507 632754762 /nfs/dbraw/zinc/75/47/62/632754762.db2.gz YJEBGOMAPOCUFX-GXTWGEPZSA-N 1 0 231.339 2.172 10 0 BEAERO CC(C)(C)c1ccnc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000310935221 633028685 /nfs/dbraw/zinc/02/86/85/633028685.db2.gz IHGOZVWQEBAEFE-MNOVXSKESA-N 1 0 248.374 2.313 10 0 BEAERO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]1O ZINC000704029454 633045838 /nfs/dbraw/zinc/04/58/38/633045838.db2.gz DCKBNBWCNIHSPS-QWHCGFSZSA-N 1 0 205.301 2.032 10 0 BEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C(C)C)cc1 ZINC000166459315 633113403 /nfs/dbraw/zinc/11/34/03/633113403.db2.gz YHJWCECYRGZTSG-KGLIPLIRSA-N 1 0 247.338 2.286 10 0 BEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000166474520 633114122 /nfs/dbraw/zinc/11/41/22/633114122.db2.gz DNHOQVXLRPVJDJ-KBPBESRZSA-N 1 0 245.322 2.040 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1C ZINC000166575925 633117064 /nfs/dbraw/zinc/11/70/64/633117064.db2.gz TWMUYELBQXWKIV-KGLIPLIRSA-N 1 0 247.338 2.170 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1CC ZINC000166590537 633117439 /nfs/dbraw/zinc/11/74/39/633117439.db2.gz NQXVYGLSIFYHGB-KGLIPLIRSA-N 1 0 247.338 2.115 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]CC12CCC(C)(C)CC2 ZINC000166606904 633118923 /nfs/dbraw/zinc/11/89/23/633118923.db2.gz HYBHDKKSBPBIKS-LLVKDONJSA-N 1 0 239.359 2.356 10 0 BEAERO Cc1ccc([C@H]([NH3+])CCO)cc1Br ZINC000095778159 636052397 /nfs/dbraw/zinc/05/23/97/636052397.db2.gz NIIWZIIFUFGQJK-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cccc(Cl)n2)C1 ZINC000309452603 633920512 /nfs/dbraw/zinc/92/05/12/633920512.db2.gz LOPYFQOFOADKJN-NXEZZACHSA-N 1 0 239.750 2.487 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000309903116 633921555 /nfs/dbraw/zinc/92/15/55/633921555.db2.gz ITQGUYMAASVVEV-REWJHTLYSA-N 1 0 224.392 2.351 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309921434 633942946 /nfs/dbraw/zinc/94/29/46/633942946.db2.gz SHGVIMVKEZIRAI-SCUASFONSA-N 1 0 222.376 2.105 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000309957722 633980578 /nfs/dbraw/zinc/98/05/78/633980578.db2.gz JIBHICOORVZLJN-WDEREUQCSA-N 1 0 219.328 2.423 10 0 BEAERO COc1cccc([C@H](CO)[NH2+]C/C=C/Cl)c1 ZINC000309916585 634043912 /nfs/dbraw/zinc/04/39/12/634043912.db2.gz PRCVRDPEEZDXFC-UXONFWTHSA-N 1 0 241.718 2.071 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000309957719 634053219 /nfs/dbraw/zinc/05/32/19/634053219.db2.gz JIBHICOORVZLJN-GHMZBOCLSA-N 1 0 219.328 2.423 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000053534456 634228841 /nfs/dbraw/zinc/22/88/41/634228841.db2.gz ONEYDZJHTXHULK-STQMWFEESA-N 1 0 221.348 2.360 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123597994 634249448 /nfs/dbraw/zinc/24/94/48/634249448.db2.gz PJHMQCZGJRRINP-IUCAKERBSA-N 1 0 225.254 2.486 10 0 BEAERO CCCC[N@H+](CN1CCOC1=S)[C@H](C)CC ZINC000123700718 634251949 /nfs/dbraw/zinc/25/19/49/634251949.db2.gz OCOZOAUHKWNWMR-LLVKDONJSA-N 1 0 244.404 2.462 10 0 BEAERO CC(C)CCC[NH2+]CCOC1CCOCC1 ZINC000053591002 634256273 /nfs/dbraw/zinc/25/62/73/634256273.db2.gz SSBPMYZPOCNUIL-UHFFFAOYSA-N 1 0 229.364 2.208 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccoc1 ZINC000162905785 635176337 /nfs/dbraw/zinc/17/63/37/635176337.db2.gz BVSANWJYIKVISR-GXTWGEPZSA-N 1 0 234.343 2.338 10 0 BEAERO CC(C)c1ncc(C[NH2+][C@H](C)[C@H](C)O)s1 ZINC000336772863 635288557 /nfs/dbraw/zinc/28/85/57/635288557.db2.gz YKVZYOQFZGKTMB-BDAKNGLRSA-N 1 0 228.361 2.125 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000336754259 635289384 /nfs/dbraw/zinc/28/93/84/635289384.db2.gz IDGMSDVHPDJUBW-HTQZYQBOSA-N 1 0 231.698 2.338 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000036135786 635346337 /nfs/dbraw/zinc/34/63/37/635346337.db2.gz UWGHPCCIHJGUPO-SDDRHHMPSA-N 1 0 228.380 2.445 10 0 BEAERO CCc1ccccc1-c1cnn(CCC[NH3+])c1 ZINC000310204724 635389221 /nfs/dbraw/zinc/38/92/21/635389221.db2.gz TVRYMGMNIPTEGP-UHFFFAOYSA-N 1 0 229.327 2.461 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2cccc(Cl)c2)n1 ZINC000054158710 635775346 /nfs/dbraw/zinc/77/53/46/635775346.db2.gz XHXXBEIPEUALCL-SSDOTTSWSA-N 1 0 237.690 2.452 10 0 BEAERO C[C@@H]1CCC[N@H+](Cc2nc(CO)cs2)[C@@H]1C ZINC000669379638 636576286 /nfs/dbraw/zinc/57/62/86/636576286.db2.gz GOXCLCNSJCBBIA-NXEZZACHSA-N 1 0 240.372 2.256 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C(OC)OC)[C@@H]1C[C@@H]1C ZINC000321483018 636649095 /nfs/dbraw/zinc/64/90/95/636649095.db2.gz JEAHSWHBSKQVBC-ZDCRXTMVSA-N 1 0 215.337 2.018 10 0 BEAERO C[C@@H]1C[C@H](N[C@H]2COc3ccccc32)CC[N@@H+]1C ZINC000252136126 636765367 /nfs/dbraw/zinc/76/53/67/636765367.db2.gz MORVBRDGKFHSKX-BZPMIXESSA-N 1 0 246.354 2.192 10 0 BEAERO CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000035136186 636855578 /nfs/dbraw/zinc/85/55/78/636855578.db2.gz SGVLKLBBMFYEEK-TUAOUCFPSA-N 1 0 240.391 2.315 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1cccc(Cl)c1F ZINC000095638499 636885557 /nfs/dbraw/zinc/88/55/57/636885557.db2.gz ZINRNMSTBOUEOE-QMMMGPOBSA-N 1 0 231.654 2.042 10 0 BEAERO O=S1CCC([NH2+]CCC2CCCC2)CC1 ZINC000042353697 637189625 /nfs/dbraw/zinc/18/96/25/637189625.db2.gz OAGKTVDJKBFVDI-UHFFFAOYSA-N 1 0 229.389 2.067 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)nc1 ZINC000149154434 638164436 /nfs/dbraw/zinc/16/44/36/638164436.db2.gz VFUAOPSEKDONSA-OIBJUYFYSA-N 1 0 241.722 2.047 10 0 BEAERO COCC1CC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000713983494 711455124 /nfs/dbraw/zinc/45/51/24/711455124.db2.gz CEGXXDNGWQLXIT-LSBUWSJDSA-N 1 0 209.333 2.190 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)c(F)c1 ZINC000348310548 638998265 /nfs/dbraw/zinc/99/82/65/638998265.db2.gz CGSVYWCEVLVNOJ-GUBZILKMSA-N 1 0 241.306 2.254 10 0 BEAERO Cc1ccccc1[C@H](O)C[N@@H+]1CCOC(C)(C)C1 ZINC000044159923 639895222 /nfs/dbraw/zinc/89/52/22/639895222.db2.gz FDQYKCSGEGPGQR-CQSZACIVSA-N 1 0 249.354 2.139 10 0 BEAERO CCC[C@](C)([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698540 640711002 /nfs/dbraw/zinc/71/10/02/640711002.db2.gz PBKSGSHKZDOVLA-LBPRGKRZSA-N 1 0 224.352 2.087 10 0 BEAERO Cn1nc(C(C)(C)C)nc1[C@H]([NH3+])C(C)(C)C ZINC000054698803 640711094 /nfs/dbraw/zinc/71/10/94/640711094.db2.gz CCYHCNCTVSUURT-QMMMGPOBSA-N 1 0 224.352 2.159 10 0 BEAERO COCC[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000058872073 640753825 /nfs/dbraw/zinc/75/38/25/640753825.db2.gz SYCMANMRAYQKDS-UHFFFAOYSA-N 1 0 223.316 2.048 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccoc1 ZINC000169278229 640846996 /nfs/dbraw/zinc/84/69/96/640846996.db2.gz AXFFVPPIOYKLEX-UONOGXRCSA-N 1 0 234.343 2.338 10 0 BEAERO C[C@H](CCNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000060394440 640858852 /nfs/dbraw/zinc/85/88/52/640858852.db2.gz ISQVSGZIGUXJLS-LLVKDONJSA-N 1 0 231.343 2.457 10 0 BEAERO CCCCCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228698580 640890484 /nfs/dbraw/zinc/89/04/84/640890484.db2.gz INJACQDYEDKTRZ-NEPJUHHUSA-N 1 0 227.348 2.308 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]CC12CCCCCCC2 ZINC000229203774 640932709 /nfs/dbraw/zinc/93/27/09/640932709.db2.gz NTUIYRAYDAVBGL-NSHDSACASA-N 1 0 225.332 2.110 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@@H](C)CC2 ZINC000229213528 640933651 /nfs/dbraw/zinc/93/36/51/640933651.db2.gz YFKLWSTXJOHDLV-DYEKYZERSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12C[C@@H](C)CC[C@@H]2C ZINC000229217369 640934363 /nfs/dbraw/zinc/93/43/63/640934363.db2.gz KOFCTUZTHSDJSA-MNXVOIDGSA-N 1 0 239.359 2.211 10 0 BEAERO Cc1ccc(F)c2c1C[C@@H]([C@H](C)[NH3+])CO2 ZINC000675064117 640961649 /nfs/dbraw/zinc/96/16/49/640961649.db2.gz VXVMCUMKNFKDHL-DTWKUNHWSA-N 1 0 209.264 2.032 10 0 BEAERO C[C@H]([NH3+])[C@H]1COc2cc(F)c(Cl)cc2C1 ZINC000675064389 640962041 /nfs/dbraw/zinc/96/20/41/640962041.db2.gz ZFCHUCQIDNTISV-POYBYMJQSA-N 1 0 229.682 2.377 10 0 BEAERO C1C[NH2+][C@H](c2nc([C@@H]3CCCS3)no2)C1 ZINC000087699716 640977893 /nfs/dbraw/zinc/97/78/93/640977893.db2.gz AWCMYEPLEOWLCP-YUMQZZPRSA-N 1 0 225.317 2.062 10 0 BEAERO C1C[C@@H](c2nc([C@H]3CCCCS3)no2)C[NH2+]1 ZINC000087700435 640979218 /nfs/dbraw/zinc/97/92/18/640979218.db2.gz WBOSIKRPFDOPEU-RKDXNWHRSA-N 1 0 239.344 2.105 10 0 BEAERO CC1CC[NH+](CCCNCc2ccoc2)CC1 ZINC000062103453 641019684 /nfs/dbraw/zinc/01/96/84/641019684.db2.gz BFBYAGHBNORJBF-UHFFFAOYSA-N 1 0 236.359 2.491 10 0 BEAERO C[C@@H](C[NH2+]Cc1ccoc1)N1CCCCC1 ZINC000062103705 641021452 /nfs/dbraw/zinc/02/14/52/641021452.db2.gz GPRWJMSGHJBZGG-LBPRGKRZSA-N 1 0 222.332 2.244 10 0 BEAERO c1cn(CCCC[NH2+]Cc2ccoc2)cn1 ZINC000062103714 641021646 /nfs/dbraw/zinc/02/16/46/641021646.db2.gz LZYCTENXOLZDDT-UHFFFAOYSA-N 1 0 219.288 2.046 10 0 BEAERO CCCCCC[C@@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114005 641022229 /nfs/dbraw/zinc/02/22/29/641022229.db2.gz FUCJNEPSGDIDOH-NEPJUHHUSA-N 1 0 226.364 2.071 10 0 BEAERO Fc1ccc2nc(N[C@@H]3CC[NH2+]C3)sc2c1 ZINC000062202660 641025228 /nfs/dbraw/zinc/02/52/28/641025228.db2.gz XEGGWCBMHHUINB-MRVPVSSYSA-N 1 0 237.303 2.209 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC(C)(C)O2)o1 ZINC000230203215 641037284 /nfs/dbraw/zinc/03/72/84/641037284.db2.gz SDIQTTDHLSMAMX-MNOVXSKESA-N 1 0 239.315 2.390 10 0 BEAERO Cc1occc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084731 641126972 /nfs/dbraw/zinc/12/69/72/641126972.db2.gz PTZMAWJEMSNIMC-SNVBAGLBSA-N 1 0 247.298 2.180 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCN(C)C2)CC1 ZINC000063144919 641138642 /nfs/dbraw/zinc/13/86/42/641138642.db2.gz GTYWZIXBWUGGEM-BPCQOVAHSA-N 1 0 210.365 2.106 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000050565719 641180964 /nfs/dbraw/zinc/18/09/64/641180964.db2.gz RNVJRTIUDFJVBC-MDZLAQPJSA-N 1 0 226.364 2.151 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=[NH2+])NC1CCCC1 ZINC000231676264 641195580 /nfs/dbraw/zinc/19/55/80/641195580.db2.gz WNULOFOQPNGEFS-ONGXEEELSA-N 1 0 209.337 2.232 10 0 BEAERO CC(C)(CCO)C[NH2+]CCc1ccccc1 ZINC000232013027 641228605 /nfs/dbraw/zinc/22/86/05/641228605.db2.gz FUASXTNQNNERGH-UHFFFAOYSA-N 1 0 221.344 2.227 10 0 BEAERO c1cc2c(s1)[C@@H](c1cccnc1)[NH2+]CC2 ZINC000084483331 641358487 /nfs/dbraw/zinc/35/84/87/641358487.db2.gz BHMPREZFTBOBBR-LLVKDONJSA-N 1 0 216.309 2.378 10 0 BEAERO Cc1ccc(CN(C)c2cc[nH+]c(CO)c2)o1 ZINC000040877768 641539238 /nfs/dbraw/zinc/53/92/38/641539238.db2.gz VQXBPNCKVPSUBV-UHFFFAOYSA-N 1 0 232.283 2.112 10 0 BEAERO Cc1cc(N[C@H]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000043532286 641565737 /nfs/dbraw/zinc/56/57/37/641565737.db2.gz HDYAUZPFJDOXNF-WPRPVWTQSA-N 1 0 220.320 2.358 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000089385511 641673501 /nfs/dbraw/zinc/67/35/01/641673501.db2.gz KJIUXORQGXDDPD-AAEUAGOBSA-N 1 0 232.327 2.390 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NC1CCCCC1 ZINC000089385504 641674445 /nfs/dbraw/zinc/67/44/45/641674445.db2.gz MZOSSLLNNNFQMJ-DGCLKSJQSA-N 1 0 238.375 2.200 10 0 BEAERO CN(C(=O)[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089385525 641674574 /nfs/dbraw/zinc/67/45/74/641674574.db2.gz MSKFLPBNIQKMOS-OCCSQVGLSA-N 1 0 246.354 2.415 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccoc2)no1 ZINC000089431336 641733978 /nfs/dbraw/zinc/73/39/78/641733978.db2.gz KPVNULCEJSDTAD-SCZZXKLOSA-N 1 0 233.271 2.172 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1C ZINC000227749631 641739723 /nfs/dbraw/zinc/73/97/23/641739723.db2.gz DKJLWTZGQGZMLG-WDEREUQCSA-N 1 0 227.348 2.164 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]CC12CCCCCC2 ZINC000229219240 641753332 /nfs/dbraw/zinc/75/33/32/641753332.db2.gz GCILYESWXWNXOT-LLVKDONJSA-N 1 0 225.332 2.110 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000233411284 642670550 /nfs/dbraw/zinc/67/05/50/642670550.db2.gz SERPZODMCRUMHD-DTWKUNHWSA-N 1 0 227.739 2.352 10 0 BEAERO CCCCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867781 642750320 /nfs/dbraw/zinc/75/03/20/642750320.db2.gz ZNNROWLIQLDTPR-LBPRGKRZSA-N 1 0 226.364 2.119 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCCC12CCCC2 ZINC000353505034 642859183 /nfs/dbraw/zinc/85/91/83/642859183.db2.gz UINVNVUSMICLBM-SRVKXCTJSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1C[C@H]1C ZINC000242339186 642934748 /nfs/dbraw/zinc/93/47/48/642934748.db2.gz ZFRCSZDMWCFDTD-OPRDCNLKSA-N 1 0 239.281 2.276 10 0 BEAERO C[C@H](NC(=O)c1cccc(C[NH3+])c1)C1CCCC1 ZINC000070305080 643012883 /nfs/dbraw/zinc/01/28/83/643012883.db2.gz GQLGENZIAGLCNY-NSHDSACASA-N 1 0 246.354 2.454 10 0 BEAERO CCCC[C@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757132714 643257999 /nfs/dbraw/zinc/25/79/99/643257999.db2.gz UHBIICVJHSEQQC-VIFPVBQESA-N 1 0 228.361 2.176 10 0 BEAERO c1ccc(C[C@@H]2CCO[C@]3(CCSC3)[NH2+]2)cc1 ZINC000757149077 643334143 /nfs/dbraw/zinc/33/41/43/643334143.db2.gz OOIYJYFOELXNAJ-KBPBESRZSA-N 1 0 249.379 2.441 10 0 BEAERO CC[C@H](C)c1noc(C[C@H]([NH3+])C(C)(C)C)n1 ZINC000082563167 643343249 /nfs/dbraw/zinc/34/32/49/643343249.db2.gz KVEAUCVCALROQB-IUCAKERBSA-N 1 0 225.336 2.499 10 0 BEAERO CCCCOCC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000082644572 643360504 /nfs/dbraw/zinc/36/05/04/643360504.db2.gz PTJGNCLFEBBCPY-CYBMUJFWSA-N 1 0 227.348 2.104 10 0 BEAERO C[C@@H]1CC[C@]2(C[C@@H]1C)[NH2+]CCc1nc[nH]c12 ZINC000400462509 643389114 /nfs/dbraw/zinc/38/91/14/643389114.db2.gz OZIIPHASYPIVDQ-GBIKHYSHSA-N 1 0 219.332 2.207 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CCN1c1cccc(Cl)n1 ZINC000083367679 643441801 /nfs/dbraw/zinc/44/18/01/643441801.db2.gz XRUHOROCQWQQCX-JTQLQIEISA-N 1 0 239.750 2.169 10 0 BEAERO O[C@@H](C[NH+]1CCCC1)c1cc(F)ccc1F ZINC000049820715 643464983 /nfs/dbraw/zinc/46/49/83/643464983.db2.gz HBKZAGYSUFQRQH-LBPRGKRZSA-N 1 0 227.254 2.094 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000049949020 643567514 /nfs/dbraw/zinc/56/75/14/643567514.db2.gz CXCHSOGGDICIQU-QWHCGFSZSA-N 1 0 223.291 2.483 10 0 BEAERO CCN(C(=O)C[NH2+]C(C)C)c1ccc(C)cc1 ZINC000049989004 643575157 /nfs/dbraw/zinc/57/51/57/643575157.db2.gz VUXZAKGORWSLMR-UHFFFAOYSA-N 1 0 234.343 2.346 10 0 BEAERO COc1c(C)cnc(C[NH2+][C@@H]2C[C@H]2C)c1C ZINC000052287940 643646925 /nfs/dbraw/zinc/64/69/25/643646925.db2.gz YZLPGSCLBHHFTJ-LDYMZIIASA-N 1 0 220.316 2.205 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)O ZINC000087128938 643649614 /nfs/dbraw/zinc/64/96/14/643649614.db2.gz SSPRYUFBBIUFDJ-SDDRHHMPSA-N 1 0 207.317 2.415 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000050372899 643692808 /nfs/dbraw/zinc/69/28/08/643692808.db2.gz SEUAPGWULGQCKM-OLZOCXBDSA-N 1 0 241.375 2.229 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]CCc1scnc1C ZINC000050372625 643693826 /nfs/dbraw/zinc/69/38/26/643693826.db2.gz ZYHBQIUEBACBFI-QWRGUYRKSA-N 1 0 240.372 2.151 10 0 BEAERO CC[C@@H](C)c1noc(CC2CC[NH2+]CC2)n1 ZINC000086573257 644152571 /nfs/dbraw/zinc/15/25/71/644152571.db2.gz KBEKRPIMQKYKAA-SECBINFHSA-N 1 0 223.320 2.125 10 0 BEAERO CC(C(=O)N[C@H]1CCC[NH2+][C@@H]1C)=C1CCCC1 ZINC000193549914 644253884 /nfs/dbraw/zinc/25/38/84/644253884.db2.gz OKOZTHASGLGSIY-YPMHNXCESA-N 1 0 236.359 2.134 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(C2CC2)no1 ZINC000084300341 644422809 /nfs/dbraw/zinc/42/28/09/644422809.db2.gz SBGNIQYYRJHKRJ-ZJUUUORDSA-N 1 0 221.304 2.180 10 0 BEAERO CC[C@H](C)c1noc(-c2ccc(C[NH3+])o2)n1 ZINC000087043510 644474669 /nfs/dbraw/zinc/47/46/69/644474669.db2.gz IMVHPVGOIPMJRW-ZETCQYMHSA-N 1 0 221.260 2.302 10 0 BEAERO CCC1(c2nc([C@@H](C)C[NH3+])no2)CCCC1 ZINC000087318911 644488790 /nfs/dbraw/zinc/48/87/90/644488790.db2.gz LUYJCWBNPVFQPN-VIFPVBQESA-N 1 0 223.320 2.354 10 0 BEAERO CCC[NH2+]Cc1nc(CN(C)C(C)C)cs1 ZINC000052419454 644536709 /nfs/dbraw/zinc/53/67/09/644536709.db2.gz AWIBIPXNEAAZAA-UHFFFAOYSA-N 1 0 241.404 2.483 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089461263 644550972 /nfs/dbraw/zinc/55/09/72/644550972.db2.gz FUBDGFWVNOLVTM-GXTWGEPZSA-N 1 0 246.354 2.333 10 0 BEAERO [NH3+]C1CC(CNc2ccc3ccccc3n2)C1 ZINC000091525623 644630210 /nfs/dbraw/zinc/63/02/10/644630210.db2.gz SHAFYNWCQNRORK-UHFFFAOYSA-N 1 0 227.311 2.384 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000092785295 644665836 /nfs/dbraw/zinc/66/58/36/644665836.db2.gz HMLIIUJLIZXLMS-GFCCVEGCSA-N 1 0 209.289 2.017 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CCC=CO1 ZINC000248994592 644707234 /nfs/dbraw/zinc/70/72/34/644707234.db2.gz OLXKYYZDECEPKG-ZIAGYGMSSA-N 1 0 238.375 2.095 10 0 BEAERO CCC[C@H](C)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000095019798 644739626 /nfs/dbraw/zinc/73/96/26/644739626.db2.gz OISSJWURSQTNSC-SDDRHHMPSA-N 1 0 227.348 2.164 10 0 BEAERO C1[C@@H]2C[C@@H](c3nc([C@H]4CCC[NH2+]C4)no3)C[C@H]12 ZINC000251022394 644790009 /nfs/dbraw/zinc/79/00/09/644790009.db2.gz FGHJNMNYPPUGTD-MMWGEVLESA-N 1 0 233.315 2.050 10 0 BEAERO C(c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1)[C@@H]1CCC[NH2+]C1 ZINC000251522998 644808091 /nfs/dbraw/zinc/80/80/91/644808091.db2.gz XAMBWKGBTZIOQP-YFKTTZPYSA-N 1 0 247.342 2.125 10 0 BEAERO C(c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1)[C@H]1CCC[NH2+]C1 ZINC000251522981 644808157 /nfs/dbraw/zinc/80/81/57/644808157.db2.gz XAMBWKGBTZIOQP-WISYIIOYSA-N 1 0 247.342 2.125 10 0 BEAERO C(=C\c1ccco1)\C[N@@H+]1CCCn2cncc2C1 ZINC000096837045 644840998 /nfs/dbraw/zinc/84/09/98/644840998.db2.gz IOEWUZJKPQGIGQ-RJRFIUFISA-N 1 0 243.310 2.395 10 0 BEAERO CC(C)(C)Cc1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000096877084 644844936 /nfs/dbraw/zinc/84/49/36/644844936.db2.gz BTLGBPVPFYZRFV-SNVBAGLBSA-N 1 0 237.347 2.200 10 0 BEAERO Nc1c(Cl)nccc1-c1cccc(C[NH3+])c1 ZINC000757572129 644850913 /nfs/dbraw/zinc/85/09/13/644850913.db2.gz OIIZNHPGCPAMGA-UHFFFAOYSA-N 1 0 233.702 2.443 10 0 BEAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ccc(O)cc3)no2)C1 ZINC000097067693 644868944 /nfs/dbraw/zinc/86/89/44/644868944.db2.gz RPLGFFDQXASRBF-VHSXEESVSA-N 1 0 245.282 2.037 10 0 BEAERO C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1cccs1 ZINC000304383787 644898732 /nfs/dbraw/zinc/89/87/32/644898732.db2.gz RIGSJVNDWUYKBH-WCBMZHEXSA-N 1 0 238.356 2.053 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](c2nc(CC3CCC3)no2)C1 ZINC000304620347 644922175 /nfs/dbraw/zinc/92/21/75/644922175.db2.gz PBHKONBGIPCWFY-NXEZZACHSA-N 1 0 221.304 2.007 10 0 BEAERO [NH3+]C[C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000132069902 645852167 /nfs/dbraw/zinc/85/21/67/645852167.db2.gz OZRSYLXVWUBSHC-GFCCVEGCSA-N 1 0 241.338 2.410 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC[S@@](=O)CC ZINC000309197780 711595431 /nfs/dbraw/zinc/59/54/31/711595431.db2.gz QUDYGSBCPBOIJX-JMSVASOKSA-N 1 0 231.405 2.313 10 0 BEAERO Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000724775507 711613075 /nfs/dbraw/zinc/61/30/75/711613075.db2.gz STDZWSZKJFOEOU-QJPTWQEYSA-N 1 0 219.332 2.305 10 0 BEAERO CC[NH2+]C[C@H]1CCCc2ccccc2N1 ZINC000196838936 711679954 /nfs/dbraw/zinc/67/99/54/711679954.db2.gz VWYDZUSWPWNLQO-GFCCVEGCSA-N 1 0 204.317 2.413 10 0 BEAERO c1cc2c([nH]1)CCC[C@H]2[NH2+]C1CSC1 ZINC000307212682 711774047 /nfs/dbraw/zinc/77/40/47/711774047.db2.gz VZTIOBDCQXVMFX-LLVKDONJSA-N 1 0 208.330 2.097 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000721246251 711794395 /nfs/dbraw/zinc/79/43/95/711794395.db2.gz QRNOVWZLDBBHGV-XJFOESAGSA-N 1 0 241.375 2.491 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1nnc(CC)s1 ZINC000702715184 712060090 /nfs/dbraw/zinc/06/00/90/712060090.db2.gz ZOFRUNVWHITGFQ-RKDXNWHRSA-N 1 0 225.361 2.379 10 0 BEAERO CC[C@H]1C[C@H]([NH2+]C2CC(SC)C2)CO1 ZINC000706955309 712163081 /nfs/dbraw/zinc/16/30/81/712163081.db2.gz FOWQUJKIYJQRTF-SEQHWMEXSA-N 1 0 215.362 2.038 10 0 BEAERO CSC1CC([NH2+]Cc2c(Cl)cnn2C)C1 ZINC000708264592 712184771 /nfs/dbraw/zinc/18/47/71/712184771.db2.gz LCBKWJBONZYHFF-UHFFFAOYSA-N 1 0 245.779 2.057 10 0 BEAERO COc1cccc(C[NH2+]C2CC(SC)C2)n1 ZINC000708289765 712185357 /nfs/dbraw/zinc/18/53/57/712185357.db2.gz UHBFREWWYKGYTR-UHFFFAOYSA-N 1 0 238.356 2.074 10 0 BEAERO CN(CCCCCC[NH3+])c1cncc(Cl)n1 ZINC000710779421 712256151 /nfs/dbraw/zinc/25/61/51/712256151.db2.gz HQYCERAJZHVAPF-UHFFFAOYSA-N 1 0 242.754 2.085 10 0 BEAERO C=C/C=C\CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000713742866 712471200 /nfs/dbraw/zinc/47/12/00/712471200.db2.gz COWNLAIEWBTRFG-NQHOJNORSA-N 1 0 220.360 2.289 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2nccs2)C1 ZINC000714005454 712476964 /nfs/dbraw/zinc/47/69/64/712476964.db2.gz BIVPWBILWXVFNN-IDKOKCKLSA-N 1 0 226.345 2.219 10 0 BEAERO COCC1CC([NH2+]CC2(C(C)C)CC2)C1 ZINC000713960097 712475160 /nfs/dbraw/zinc/47/51/60/712475160.db2.gz GPOSJPVNERFYTL-UHFFFAOYSA-N 1 0 211.349 2.437 10 0 BEAERO C[NH2+]CCc1noc([C@@H]2CCCC[C@@H]2C)n1 ZINC000714451063 712490386 /nfs/dbraw/zinc/49/03/86/712490386.db2.gz QKHQCAQMYPSKSV-VHSXEESVSA-N 1 0 223.320 2.125 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715874232 712538095 /nfs/dbraw/zinc/53/80/95/712538095.db2.gz DWMDEXUOLXPVAD-GHMZBOCLSA-N 1 0 236.363 2.435 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCCC1CC1 ZINC000716328396 712554878 /nfs/dbraw/zinc/55/48/78/712554878.db2.gz PNDCRQHAOOJGKF-CHWSQXEVSA-N 1 0 211.349 2.460 10 0 BEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716685713 712569827 /nfs/dbraw/zinc/56/98/27/712569827.db2.gz UPHKAQWXYFBQGK-CQLXCSJHSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716685215 712569912 /nfs/dbraw/zinc/56/99/12/712569912.db2.gz RUEPUFJNBYPIOE-GMKTYKIGSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCC(C)(F)F)C1 ZINC000718704686 712778107 /nfs/dbraw/zinc/77/81/07/712778107.db2.gz ROJWRKNMGOWPAI-NXEZZACHSA-N 1 0 221.291 2.125 10 0 BEAERO CC(C)NC(=O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719226485 712800831 /nfs/dbraw/zinc/80/08/31/712800831.db2.gz NLUWWQOXWOOKOE-GFCCVEGCSA-N 1 0 240.391 2.460 10 0 BEAERO C[C@@H](CC(N)=O)[NH2+][C@H]1CCCCCC1(C)C ZINC000719236304 712800832 /nfs/dbraw/zinc/80/08/32/712800832.db2.gz JRZAFCPBPWVGNZ-QWRGUYRKSA-N 1 0 226.364 2.199 10 0 BEAERO CCC1CCC(NC(=O)CC(C)(C)C[NH3+])CC1 ZINC000721196294 712897207 /nfs/dbraw/zinc/89/72/07/712897207.db2.gz AVNVGIZYYYUTMN-UHFFFAOYSA-N 1 0 240.391 2.446 10 0 BEAERO CN(CCC[NH2+]C1CC1)Cc1ccsc1 ZINC000037478596 711466888 /nfs/dbraw/zinc/46/68/88/711466888.db2.gz AOIDSBUOYZNUAF-UHFFFAOYSA-N 1 0 224.373 2.322 10 0 BEAERO COC(=O)[C@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1C ZINC000723557230 711517040 /nfs/dbraw/zinc/51/70/40/711517040.db2.gz KUUPKUGTMKXVSX-JQWIXIFHSA-N 1 0 239.359 2.164 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723625040 711526929 /nfs/dbraw/zinc/52/69/29/711526929.db2.gz NGHNEDSVKLQTMF-VEGXAWMVSA-N 1 0 209.333 2.190 10 0 BEAERO Cc1cnc(C[NH2+]C[C@H]2CCC=CO2)c(C)c1 ZINC000724033391 711556724 /nfs/dbraw/zinc/55/67/24/711556724.db2.gz JGLXPGHIICLONE-CYBMUJFWSA-N 1 0 232.327 2.481 10 0 BEAERO Cc1cnc(C[NH2+][C@H]2CCCOCC2)c(C)c1 ZINC000724042103 711557537 /nfs/dbraw/zinc/55/75/37/711557537.db2.gz HUFGDOSUDBGRAA-ZDUSSCGKSA-N 1 0 234.343 2.357 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+]Cc2ncc(C)cc2C)CO1 ZINC000724098708 711560358 /nfs/dbraw/zinc/56/03/58/711560358.db2.gz UMAPZKOACBITCS-QWHCGFSZSA-N 1 0 234.343 2.356 10 0 BEAERO C[C@H]1OC[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C ZINC000724264663 711573288 /nfs/dbraw/zinc/57/32/88/711573288.db2.gz MISNQLGDKWWWQQ-AJSWTNHPSA-N 1 0 241.375 2.203 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@H]2COCC2(C)C)C[C@@H](C)O1 ZINC000724265120 711573321 /nfs/dbraw/zinc/57/33/21/711573321.db2.gz RROAQDYVJQPXMB-WZRBSPASSA-N 1 0 241.375 2.205 10 0 BEAERO CC1CCC(C[NH2+]CCO[C@H]2CCOC2)CC1 ZINC000724930530 711630311 /nfs/dbraw/zinc/63/03/11/711630311.db2.gz KNXLXTCWCTUKQG-RUXDESIVSA-N 1 0 241.375 2.208 10 0 BEAERO CC1CCC(C[NH2+]CCO[C@@H]2CCOC2)CC1 ZINC000724930529 711630665 /nfs/dbraw/zinc/63/06/65/711630665.db2.gz KNXLXTCWCTUKQG-JXQTWKCFSA-N 1 0 241.375 2.208 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000724957175 711634585 /nfs/dbraw/zinc/63/45/85/711634585.db2.gz GODCSYCYXXOWHJ-PRTVBDMESA-N 1 0 223.360 2.316 10 0 BEAERO Cc1ccc(Cc2nc([C@@H](C)C[NH3+])no2)cc1C ZINC000054158525 711766201 /nfs/dbraw/zinc/76/62/01/711766201.db2.gz MNJOOWSKYBPLEB-NSHDSACASA-N 1 0 245.326 2.339 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC2(CCCC2)C1 ZINC000305878124 711773075 /nfs/dbraw/zinc/77/30/75/711773075.db2.gz ZIAHECXNPLYGBC-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2cccc(F)n2)C1 ZINC000049231059 711775971 /nfs/dbraw/zinc/77/59/71/711775971.db2.gz BBOAZGNECDOQAG-SNVBAGLBSA-N 1 0 223.295 2.117 10 0 BEAERO C[C@@H]1[C@@H](O)CCCN1Cc1scnc1Cl ZINC000721931891 711939557 /nfs/dbraw/zinc/93/95/57/711939557.db2.gz MAGYBSJOICFOAV-SFYZADRCSA-N 1 0 246.763 2.142 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2ccoc2)no1 ZINC000132178608 711955929 /nfs/dbraw/zinc/95/59/29/711955929.db2.gz FDKGTUYADJZYKK-SNVBAGLBSA-N 1 0 235.287 2.246 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCC2(C)C)n1 ZINC000700466383 711994035 /nfs/dbraw/zinc/99/40/35/711994035.db2.gz UHVBMDZEHHFCCA-SNVBAGLBSA-N 1 0 235.331 2.159 10 0 BEAERO [NH3+]CC1(c2nc([C@@H]3CC34CC4)no2)CCCC1 ZINC000700539324 711996645 /nfs/dbraw/zinc/99/66/45/711996645.db2.gz GOAHRZFUSBRKDJ-VIFPVBQESA-N 1 0 233.315 2.108 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CCOC2CCCCC2)C1 ZINC000701330892 712020521 /nfs/dbraw/zinc/02/05/21/712020521.db2.gz PIUOHRQPQIXHOR-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOC1CCCCC1 ZINC000701327895 712020717 /nfs/dbraw/zinc/02/07/17/712020717.db2.gz XDNXHJBFDYPBOB-QWHCGFSZSA-N 1 0 241.375 2.181 10 0 BEAERO Cc1cccc([C@@H](O)C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000701713949 712028037 /nfs/dbraw/zinc/02/80/37/712028037.db2.gz RKVBDEBMYBPTGT-OLZOCXBDSA-N 1 0 223.291 2.072 10 0 BEAERO C(c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1)C1CCC1 ZINC000701693655 712028083 /nfs/dbraw/zinc/02/80/83/712028083.db2.gz MWQQGPQOFVIWCC-FZMZJTMJSA-N 1 0 247.342 2.053 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1(Cl)CC1 ZINC000702262513 712042367 /nfs/dbraw/zinc/04/23/67/712042367.db2.gz HJJBAGUVRZPPPI-IUCAKERBSA-N 1 0 219.756 2.143 10 0 BEAERO [NH3+]Cc1cc(-c2cn3c(n2)CCCC3)ccc1F ZINC000706189968 712142150 /nfs/dbraw/zinc/14/21/50/712142150.db2.gz KJEHFEJNYUVAEJ-UHFFFAOYSA-N 1 0 245.301 2.484 10 0 BEAERO C[C@@H](C[NH3+])c1noc([C@H]2CCCC23CC3)n1 ZINC000706284275 712143836 /nfs/dbraw/zinc/14/38/36/712143836.db2.gz LRGWHVAQTTZZDT-DTWKUNHWSA-N 1 0 221.304 2.180 10 0 BEAERO CSC1CC([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000706927178 712161561 /nfs/dbraw/zinc/16/15/61/712161561.db2.gz INEIAFCOKRECFV-WNYYMSAVSA-N 1 0 229.389 2.021 10 0 BEAERO CSC1CC(Nc2cc[nH+]cc2C)C1 ZINC000708256300 712184837 /nfs/dbraw/zinc/18/48/37/712184837.db2.gz FITLCXSAXRJFRU-UHFFFAOYSA-N 1 0 208.330 2.118 10 0 BEAERO CSC1CC([NH2+][C@H](C)c2cnccn2)C1 ZINC000708243288 712185014 /nfs/dbraw/zinc/18/50/14/712185014.db2.gz LRAXBEPACLXFNY-XNWIYYODSA-N 1 0 223.345 2.021 10 0 BEAERO CCCCCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708842607 712200779 /nfs/dbraw/zinc/20/07/79/712200779.db2.gz ZNDYGDNGFFJHRV-RYUDHWBXSA-N 1 0 226.364 2.010 10 0 BEAERO C[C@H](C[NH2+]C(C)(C)CO)CC(C)(C)C ZINC000709143543 712210367 /nfs/dbraw/zinc/21/03/67/712210367.db2.gz KZCSCFNPSDBTSX-JTQLQIEISA-N 1 0 201.354 2.419 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000709946027 712234114 /nfs/dbraw/zinc/23/41/14/712234114.db2.gz CZFXSYWUCHRLLF-OLZOCXBDSA-N 1 0 222.376 2.393 10 0 BEAERO Cc1ccnc(N(C)CCCCCC[NH3+])c1 ZINC000710749603 712255752 /nfs/dbraw/zinc/25/57/52/712255752.db2.gz IVGOXMIRIDKEEG-UHFFFAOYSA-N 1 0 221.348 2.345 10 0 BEAERO CN(CCCCCC[NH3+])c1ncncc1Cl ZINC000710778301 712256679 /nfs/dbraw/zinc/25/66/79/712256679.db2.gz AWPCADILUWOMOJ-UHFFFAOYSA-N 1 0 242.754 2.085 10 0 BEAERO COC1(OC)CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000710991666 712273213 /nfs/dbraw/zinc/27/32/13/712273213.db2.gz ZKHOFCYCXFGZPM-UONOGXRCSA-N 1 0 247.338 2.415 10 0 BEAERO CC[C@H](Cc1nc(CC[NH2+]C)no1)C(C)(C)C ZINC000711151681 712286262 /nfs/dbraw/zinc/28/62/62/712286262.db2.gz ZUJXCHYCWAVJDI-SNVBAGLBSA-N 1 0 239.363 2.446 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711147337 712286515 /nfs/dbraw/zinc/28/65/15/712286515.db2.gz RWWHKGCQOMZRBH-ZUWCUPBKSA-N 1 0 223.360 2.458 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)c1 ZINC000711189696 712288151 /nfs/dbraw/zinc/28/81/51/712288151.db2.gz ALAILGZDZHETOK-WDNDVIMCSA-N 1 0 233.359 2.360 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@@H]2C=CCC2)[C@H]2CCO[C@H]21 ZINC000711725998 712322020 /nfs/dbraw/zinc/32/20/20/712322020.db2.gz CZNVAYWKQJXDJY-FDYHWXHSSA-N 1 0 221.344 2.356 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711782819 712329698 /nfs/dbraw/zinc/32/96/98/712329698.db2.gz HJZVEXVWJQDEQT-SNVBAGLBSA-N 1 0 207.321 2.352 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000378682897 712357766 /nfs/dbraw/zinc/35/77/66/712357766.db2.gz YJPWMPIHEZPERK-MEBFFEOJSA-N 1 0 223.360 2.316 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378954713 712368097 /nfs/dbraw/zinc/36/80/97/712368097.db2.gz KVPCGEXHGUTKOP-QNWJLWSRSA-N 1 0 209.333 2.068 10 0 BEAERO CC1CCC(C[NH2+]C[C@H]2CCN2C)CC1 ZINC000712616318 712438778 /nfs/dbraw/zinc/43/87/78/712438778.db2.gz YPRBQKSFMADLBG-WXRRBKDZSA-N 1 0 210.365 2.106 10 0 BEAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000713062626 712452054 /nfs/dbraw/zinc/45/20/54/712452054.db2.gz CEPISAXTKRGWFT-YYJSSNLHSA-N 1 0 238.375 2.055 10 0 BEAERO Cc1cnc(N(C)C2(C[NH3+])CCCCC2)nc1C ZINC000713307686 712458606 /nfs/dbraw/zinc/45/86/06/712458606.db2.gz SLJQEESCTXPWHE-UHFFFAOYSA-N 1 0 248.374 2.191 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1scnc1Cl ZINC000713504671 712464118 /nfs/dbraw/zinc/46/41/18/712464118.db2.gz RPFSDKSJJMLXPL-RNFRBKRXSA-N 1 0 232.736 2.064 10 0 BEAERO C=C/C=C\CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000713739898 712470701 /nfs/dbraw/zinc/47/07/01/712470701.db2.gz RLUZCAWUIURDIU-MRYXHSKJSA-N 1 0 220.360 2.287 10 0 BEAERO COCC1CC([NH2+]Cc2ccccc2F)C1 ZINC000713915327 712473003 /nfs/dbraw/zinc/47/30/03/712473003.db2.gz DPPXUOQZEYZXJF-UHFFFAOYSA-N 1 0 223.291 2.340 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCc3cccnc32)C1 ZINC000713934535 712473737 /nfs/dbraw/zinc/47/37/37/712473737.db2.gz DYWXWFVCGBLKBW-KGPNIALWSA-N 1 0 232.327 2.084 10 0 BEAERO COCC1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC000713962438 712475047 /nfs/dbraw/zinc/47/50/47/712475047.db2.gz XEPRFDRZNPNORH-UHFFFAOYSA-N 1 0 241.281 2.479 10 0 BEAERO CC[C@H]([NH2+]C1CC(COC)C1)[C@H]1C[C@@H]1C ZINC000713971589 712475707 /nfs/dbraw/zinc/47/57/07/712475707.db2.gz RIFHISQPFORFJK-JSPGJAJPSA-N 1 0 211.349 2.436 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2ccoc2)C1 ZINC000713996372 712477123 /nfs/dbraw/zinc/47/71/23/712477123.db2.gz LFTIOLNVROEYMJ-BMQDGWLCSA-N 1 0 209.289 2.355 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2cncs2)C1 ZINC000714007744 712477409 /nfs/dbraw/zinc/47/74/09/712477409.db2.gz OEJUNHWUUMLCAB-XNWIYYODSA-N 1 0 226.345 2.219 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714329044 712482293 /nfs/dbraw/zinc/48/22/93/712482293.db2.gz FEXNPOHDYQLJQK-UPJWGTAASA-N 1 0 241.375 2.037 10 0 BEAERO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)O1 ZINC000714328261 712482435 /nfs/dbraw/zinc/48/24/35/712482435.db2.gz AHXJYYHXLZNFGG-JHJVBQTASA-N 1 0 241.375 2.227 10 0 BEAERO CCC1([NH3+])CCN([C@@H](C)c2ccncc2)CC1 ZINC000714758860 712497589 /nfs/dbraw/zinc/49/75/89/712497589.db2.gz OXPUJNONCZTLHV-LBPRGKRZSA-N 1 0 233.359 2.346 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2ccc3ccccc3n2)C1 ZINC000715068051 712505796 /nfs/dbraw/zinc/50/57/96/712505796.db2.gz SHAFYNWCQNRORK-KLPPZKSPSA-N 1 0 227.311 2.384 10 0 BEAERO Cc1cc2c(ncnc2NC[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000715085224 712507762 /nfs/dbraw/zinc/50/77/62/712507762.db2.gz FWSAQMGHXJSILS-DTORHVGOSA-N 1 0 248.355 2.149 10 0 BEAERO CCCCCC[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037041803 712530636 /nfs/dbraw/zinc/53/06/36/712530636.db2.gz DMXOVKFZIRVZKD-QWHCGFSZSA-N 1 0 240.391 2.461 10 0 BEAERO CCCC[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715841225 712533017 /nfs/dbraw/zinc/53/30/17/712533017.db2.gz HVSUKOPBLYORNP-VHSXEESVSA-N 1 0 210.325 2.044 10 0 BEAERO CCC[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876583 712538709 /nfs/dbraw/zinc/53/87/09/712538709.db2.gz IDAXMGVXFJVGMK-CMPLNLGQSA-N 1 0 236.363 2.435 10 0 BEAERO O=C(CC[C@H]1CCC[NH2+]1)NCCCCC1CC1 ZINC000716359539 712556690 /nfs/dbraw/zinc/55/66/90/712556690.db2.gz HOPPUSPIAHMJTF-CYBMUJFWSA-N 1 0 238.375 2.215 10 0 BEAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000716574536 712564121 /nfs/dbraw/zinc/56/41/21/712564121.db2.gz CBKCDTZUQLFBKV-BUCHIQEDSA-N 1 0 223.360 2.172 10 0 BEAERO C[C@H](CC[NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716721280 712570930 /nfs/dbraw/zinc/57/09/30/712570930.db2.gz AZCJXXLOADGQOQ-LMWSTFAQSA-N 1 0 246.354 2.034 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2nccc3cccnc32)C[NH2+]1 ZINC000716918560 712582380 /nfs/dbraw/zinc/58/23/80/712582380.db2.gz QJEDURGECZFGMF-ZYHUDNBSSA-N 1 0 242.326 2.182 10 0 BEAERO Cc1c(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cnn1C ZINC000717087577 712630196 /nfs/dbraw/zinc/63/01/96/712630196.db2.gz GOHLHIBCDMQEIN-OUCADQQQSA-N 1 0 233.359 2.254 10 0 BEAERO CC(C)[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717155509 712638141 /nfs/dbraw/zinc/63/81/41/712638141.db2.gz OJZWZKNUIRENTM-GUBZILKMSA-N 1 0 238.297 2.242 10 0 BEAERO c1ccc2c(c1)CCN(CCC[NH2+]C1CC1)C2 ZINC000037613601 712679323 /nfs/dbraw/zinc/67/93/23/712679323.db2.gz NORFVXJYAFPFOG-UHFFFAOYSA-N 1 0 230.355 2.187 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)C)n(C)n1 ZINC000380026416 712683025 /nfs/dbraw/zinc/68/30/25/712683025.db2.gz PFKNSVVTINIOCH-MNOVXSKESA-N 1 0 209.337 2.424 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000380114269 712687296 /nfs/dbraw/zinc/68/72/96/712687296.db2.gz PACVLTUNAGFFCQ-SRVKXCTJSA-N 1 0 213.365 2.418 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000718789580 712780878 /nfs/dbraw/zinc/78/08/78/712780878.db2.gz MFGXJALFAZYFHI-MJBXVCDLSA-N 1 0 241.375 2.493 10 0 BEAERO CCC[C@H](C)C[NH2+]CC(=O)NCc1ccccc1 ZINC000037908608 712785442 /nfs/dbraw/zinc/78/54/42/712785442.db2.gz SCIIVNNUPUHKRQ-ZDUSSCGKSA-N 1 0 248.370 2.329 10 0 BEAERO CC[NH2+]CCCNc1ccnc2ncccc12 ZINC000718930131 712788362 /nfs/dbraw/zinc/78/83/62/712788362.db2.gz MXTYSOWJTWZLBG-UHFFFAOYSA-N 1 0 230.315 2.041 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccnc2ncccc12 ZINC000718981390 712791117 /nfs/dbraw/zinc/79/11/17/712791117.db2.gz JDSVMILPNWJWHS-PWSUYJOCSA-N 1 0 242.326 2.169 10 0 BEAERO CN(C)C(=O)CC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719228572 712800628 /nfs/dbraw/zinc/80/06/28/712800628.db2.gz UWFIBPORUKQWCB-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C[C@H]1CNC(=O)C1 ZINC000719235946 712800931 /nfs/dbraw/zinc/80/09/31/712800931.db2.gz INQZWRCBWUYULL-NWDGAFQWSA-N 1 0 238.375 2.071 10 0 BEAERO COc1cc(C)ccc1NC1CC[NH2+]CC1 ZINC000038041551 712801452 /nfs/dbraw/zinc/80/14/52/712801452.db2.gz UNSWMGMUHZTGGU-UHFFFAOYSA-N 1 0 220.316 2.168 10 0 BEAERO OCC1([NH2+]C[C@H]2CCCO2)CCCCCCC1 ZINC000038114627 712808602 /nfs/dbraw/zinc/80/86/02/712808602.db2.gz ZNWKNLVCTBRACE-CYBMUJFWSA-N 1 0 241.375 2.230 10 0 BEAERO [NH3+]C[C@H]1CCN(C[C@@H]2CCCO2)c2ccccc21 ZINC000719530047 712808966 /nfs/dbraw/zinc/80/89/66/712808966.db2.gz HRFMZOPBNLJAPU-OLZOCXBDSA-N 1 0 246.354 2.118 10 0 BEAERO C[NH2+]CCCCc1nc([C@H]2CC2(C)C)no1 ZINC000719672451 712818899 /nfs/dbraw/zinc/81/88/99/712818899.db2.gz DWVLVPJXBWYCNY-SECBINFHSA-N 1 0 223.320 2.125 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000720603416 712857872 /nfs/dbraw/zinc/85/78/72/712857872.db2.gz QFTNRKITQYKWRX-DRZSPHRISA-N 1 0 248.374 2.458 10 0 BEAERO CC[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC000720996209 712886462 /nfs/dbraw/zinc/88/64/62/712886462.db2.gz IIQCXZKCXQXBOF-QWHCGFSZSA-N 1 0 238.375 2.214 10 0 BEAERO OC1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCCCC1 ZINC000132057289 959418005 /nfs/dbraw/zinc/41/80/05/959418005.db2.gz APRPXRVPRGKKPG-BETUJISGSA-N 1 0 223.360 2.414 10 0 BEAERO CCCOC(=O)[C@@H](C)[N@H+](C)CC1CCC1 ZINC000119731338 1166256498 /nfs/dbraw/zinc/25/64/98/1166256498.db2.gz GBKGWJMLFYSFHL-SNVBAGLBSA-N 1 0 213.321 2.060 10 0 BEAERO CCc1ccccc1C[NH2+]CC[C@H](O)CC ZINC000218765889 1168761587 /nfs/dbraw/zinc/76/15/87/1168761587.db2.gz FSPQKBIEQRMTTK-CQSZACIVSA-N 1 0 221.344 2.500 10 0 BEAERO CCC(CC)C[N@H+](CC)CN1CCOC1=S ZINC000123902217 960581381 /nfs/dbraw/zinc/58/13/81/960581381.db2.gz HMXASWPGSAUVKX-UHFFFAOYSA-N 1 0 244.404 2.319 10 0 BEAERO CSCC[NH2+]CCc1ccc(F)cc1 ZINC000135829791 963279483 /nfs/dbraw/zinc/27/94/83/963279483.db2.gz RPVQHSFGTPKTGP-UHFFFAOYSA-N 1 0 213.321 2.321 10 0 BEAERO CC[C@H](CO)[NH2+][C@@H]1c2ccccc2OC1(C)C ZINC000234024091 973405642 /nfs/dbraw/zinc/40/56/42/973405642.db2.gz ABMUBFTUYYLZKE-ZWNOBZJWSA-N 1 0 235.327 2.259 10 0 BEAERO CC[C@H](CO)[NH2+][C@H]1c2ccccc2OC1(C)C ZINC000234027298 973405700 /nfs/dbraw/zinc/40/57/00/973405700.db2.gz ABMUBFTUYYLZKE-MFKMUULPSA-N 1 0 235.327 2.259 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@@H](C)c1ccc(F)cc1 ZINC000685963658 538910425 /nfs/dbraw/zinc/91/04/25/538910425.db2.gz VGZBDWGCVXLPMJ-JQWIXIFHSA-N 1 0 225.307 2.147 10 0 BEAERO Cc1cc(C)cc([C@H](O)C(C)(C)C[NH3+])c1 ZINC000082640508 177918487 /nfs/dbraw/zinc/91/84/87/177918487.db2.gz QPKPTJPEYZLEAY-LBPRGKRZSA-N 1 0 207.317 2.322 10 0 BEAERO C[C@H]1CCCC[C@@H]1OCC(F)(F)C[NH3+] ZINC000685956497 538903030 /nfs/dbraw/zinc/90/30/30/538903030.db2.gz VOGUYJIVHGPBRE-IUCAKERBSA-N 1 0 207.264 2.176 10 0 BEAERO CC[C@]1(C(=O)OC(C)(C)C)C[C@H](C)C[C@@H]1[NH3+] ZINC000685959265 538906964 /nfs/dbraw/zinc/90/69/64/538906964.db2.gz LLCVERXTXJBKNS-NRUUGDAUSA-N 1 0 227.348 2.482 10 0 BEAERO CC[C@@H]1C[C@H]([NH3+])[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000685959747 538907005 /nfs/dbraw/zinc/90/70/05/538907005.db2.gz RRVPVOJYUPYWKS-NRUUGDAUSA-N 1 0 227.348 2.482 10 0 BEAERO CC[C@@H]1C[C@@H]([NH3+])[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000685959746 538907308 /nfs/dbraw/zinc/90/73/08/538907308.db2.gz RRVPVOJYUPYWKS-GIPNMCIBSA-N 1 0 227.348 2.482 10 0 BEAERO COCC[C@@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960499 538907520 /nfs/dbraw/zinc/90/75/20/538907520.db2.gz NHQMVJWXCDCOIW-GFCCVEGCSA-N 1 0 235.327 2.018 10 0 BEAERO C[C@@H]([NH3+])C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962724 538909528 /nfs/dbraw/zinc/90/95/28/538909528.db2.gz RKJNCTHFOIQXTG-NWDGAFQWSA-N 1 0 235.327 2.146 10 0 BEAERO C[C@@H](COCc1ccccc1)CC(=O)[C@H](C)C[NH3+] ZINC000685962542 538909607 /nfs/dbraw/zinc/90/96/07/538909607.db2.gz MIMSHRPLTTWTKA-CHWSQXEVSA-N 1 0 249.354 2.393 10 0 BEAERO OC[C@H](CC[NH2+]C1CC1)C1CCCCC1 ZINC000685963114 538910212 /nfs/dbraw/zinc/91/02/12/538910212.db2.gz GOGSOTFQVBHVFQ-LBPRGKRZSA-N 1 0 211.349 2.317 10 0 BEAERO CC[N@@H+]1CCC(=O)C12C[C@@H](C)C[C@H](C)C2 ZINC000685952637 538896709 /nfs/dbraw/zinc/89/67/09/538896709.db2.gz BHLANSZPUVNLQN-QWRGUYRKSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1cc(C)n([C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000042915866 177932421 /nfs/dbraw/zinc/93/24/21/177932421.db2.gz NZBRGKMPGXIBFY-CYBMUJFWSA-N 1 0 233.290 2.187 10 0 BEAERO C[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc(O)cc2C1 ZINC000309057906 349439189 /nfs/dbraw/zinc/43/91/89/349439189.db2.gz IVUPHSONVWIOPG-MFKMUULPSA-N 1 0 217.312 2.344 10 0 BEAERO C[C@@H]1CN(c2cc(F)ccc2Cl)CC[NH2+]1 ZINC000083356424 132452762 /nfs/dbraw/zinc/45/27/62/132452762.db2.gz RSLCSEZIOLLJQJ-MRVPVSSYSA-N 1 0 228.698 2.277 10 0 BEAERO C=C(OCC)c1cncc([C@@H](C)[NH2+]C)c1 ZINC000685965187 538911317 /nfs/dbraw/zinc/91/13/17/538911317.db2.gz SHCXPBDBWWOVPG-SECBINFHSA-N 1 0 206.289 2.369 10 0 BEAERO Cc1cc2ccccc2nc1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000385212760 398140637 /nfs/dbraw/zinc/14/06/37/398140637.db2.gz KIWBLVIJPBEWQD-WCQYABFASA-N 1 0 241.338 2.469 10 0 BEAERO Cc1cc(C)nc(S[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000051607733 177948813 /nfs/dbraw/zinc/94/88/13/177948813.db2.gz DHHQOGSIRGTVCA-QWRGUYRKSA-N 1 0 237.372 2.313 10 0 BEAERO Cc1csc(C[C@@H]([NH3+])c2ccco2)n1 ZINC000036281325 343977337 /nfs/dbraw/zinc/97/73/37/343977337.db2.gz KRHJCLKQKVRQRH-MRVPVSSYSA-N 1 0 208.286 2.287 10 0 BEAERO CCC(CC)(C[NH3+])c1ccc2c(c1)OCO2 ZINC000037934529 168324093 /nfs/dbraw/zinc/32/40/93/168324093.db2.gz XRHBWYZCSSFXOF-UHFFFAOYSA-N 1 0 221.300 2.432 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](C(C)C)C1 ZINC000135428680 168321277 /nfs/dbraw/zinc/32/12/77/168321277.db2.gz JJYNVBWDAYWUNY-GFCCVEGCSA-N 1 0 240.391 2.256 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CC1CC1 ZINC000069666005 168323458 /nfs/dbraw/zinc/32/34/58/168323458.db2.gz VYOAVRXEZJGYMS-JTQLQIEISA-N 1 0 226.364 2.056 10 0 BEAERO CCn1nc(-c2ccccc2)cc1C[NH3+] ZINC000213483182 349486434 /nfs/dbraw/zinc/48/64/34/349486434.db2.gz YQGBHJLGNJJRCQ-UHFFFAOYSA-N 1 0 201.273 2.029 10 0 BEAERO C[NH2+]C[C@H](F)Cc1ccc(Cl)cc1 ZINC000257875007 349487494 /nfs/dbraw/zinc/48/74/94/349487494.db2.gz RAEMJKNUGSFVDC-SNVBAGLBSA-N 1 0 201.672 2.440 10 0 BEAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000062569182 187324216 /nfs/dbraw/zinc/32/42/16/187324216.db2.gz QNEDUVPWULUDID-CYBMUJFWSA-N 1 0 204.317 2.041 10 0 BEAERO Cc1cc(CN2CC[C@H]([NH3+])[C@H]2C)c(C)s1 ZINC000335913204 178004293 /nfs/dbraw/zinc/00/42/93/178004293.db2.gz UXJHFHVAOUKHIS-SKDRFNHKSA-N 1 0 224.373 2.286 10 0 BEAERO Cc1cc(C[NH2+][C@@H](C)CO)ccc1OC(C)C ZINC000098126318 178028877 /nfs/dbraw/zinc/02/88/77/178028877.db2.gz QZSOZKBRTJFMDY-LBPRGKRZSA-N 1 0 237.343 2.253 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CC2(C)C)ccc1N ZINC000045137693 178037885 /nfs/dbraw/zinc/03/78/85/178037885.db2.gz WODMZYCSVSSAJQ-LBPRGKRZSA-N 1 0 204.317 2.465 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@H]2O)cs1 ZINC000294083594 178040346 /nfs/dbraw/zinc/04/03/46/178040346.db2.gz ALWJXWJGJUWCQI-WDEREUQCSA-N 1 0 211.330 2.060 10 0 BEAERO F[C@@H](c1cncs1)[C@H]1CCCC[NH2+]1 ZINC000575517671 398178079 /nfs/dbraw/zinc/17/80/79/398178079.db2.gz GXHUGBBDYZAZLS-VXNVDRBHSA-N 1 0 200.282 2.296 10 0 BEAERO Cc1cc(COCC[NH3+])ccc1OC(C)C ZINC000077336036 178048578 /nfs/dbraw/zinc/04/85/78/178048578.db2.gz HTFFFZWWNUCSHE-UHFFFAOYSA-N 1 0 223.316 2.258 10 0 BEAERO Cc1cc(COc2cccc(C[C@@H](C)[NH3+])c2)no1 ZINC000037726546 178048763 /nfs/dbraw/zinc/04/87/63/178048763.db2.gz CJHQEAGALKMZKI-SNVBAGLBSA-N 1 0 246.310 2.452 10 0 BEAERO Cc1cc(COc2cccc(CC[NH3+])c2)on1 ZINC000037721277 178049431 /nfs/dbraw/zinc/04/94/31/178049431.db2.gz VUXGBUBQBGFZQU-UHFFFAOYSA-N 1 0 232.283 2.063 10 0 BEAERO Cc1cc(COc2ccccc2CC[NH3+])on1 ZINC000037720524 178049840 /nfs/dbraw/zinc/04/98/40/178049840.db2.gz HAFWDPVRKXFGCN-UHFFFAOYSA-N 1 0 232.283 2.063 10 0 BEAERO Cc1cc(COc2cccnc2)oc1C[NH3+] ZINC000052646564 178050191 /nfs/dbraw/zinc/05/01/91/178050191.db2.gz JZCUZZMREODRDR-UHFFFAOYSA-N 1 0 218.256 2.021 10 0 BEAERO C[C@@H]1CCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000307398487 398159935 /nfs/dbraw/zinc/15/99/35/398159935.db2.gz UAJYBKBWUDLHJN-LLVKDONJSA-N 1 0 217.316 2.053 10 0 BEAERO Cc1cc(Cl)nc(SC[C@@H]2CC[NH2+]C2)n1 ZINC000095069429 178070983 /nfs/dbraw/zinc/07/09/83/178070983.db2.gz HQEUXZVVBLZPMU-MRVPVSSYSA-N 1 0 243.763 2.140 10 0 BEAERO CCC[C@@H](C[NH2+][C@H](CC(C)C)CN(C)C)OC ZINC000386168151 398199434 /nfs/dbraw/zinc/19/94/34/398199434.db2.gz WARVGZQIOCBUEO-KGLIPLIRSA-N 1 0 244.423 2.367 10 0 BEAERO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000128036700 178085097 /nfs/dbraw/zinc/08/50/97/178085097.db2.gz REKKCLGFYNEYGK-GFCCVEGCSA-N 1 0 237.318 2.338 10 0 BEAERO Cc1cc(F)ccc1N1CC[NH2+]C[C@@H](C)C1 ZINC000049661402 178087979 /nfs/dbraw/zinc/08/79/79/178087979.db2.gz PXHNQMCULATPFO-SNVBAGLBSA-N 1 0 222.307 2.180 10 0 BEAERO Cc1cc([C@]2(F)CC[C@H]([NH3+])C2)sn1 ZINC000306426761 398190705 /nfs/dbraw/zinc/19/07/05/398190705.db2.gz WPEBLQDAEVXGFU-CBAPKCEASA-N 1 0 200.282 2.128 10 0 BEAERO Cc1cc(F)ccc1NC(=O)c1c[nH+]ccc1N ZINC000127069554 178089983 /nfs/dbraw/zinc/08/99/83/178089983.db2.gz XBGZMZUVRWYHPT-UHFFFAOYSA-N 1 0 245.257 2.364 10 0 BEAERO Cc1cc(F)ccc1[C@@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000104123849 178091690 /nfs/dbraw/zinc/09/16/90/178091690.db2.gz SVJVEIRJKUZNAZ-FZMZJTMJSA-N 1 0 237.318 2.341 10 0 BEAERO CC1(C)C[NH2+][C@@H]1c1ncc(Cl)s1 ZINC000307672685 398191639 /nfs/dbraw/zinc/19/16/39/398191639.db2.gz YWJUVWMGFGYTCM-ZCFIWIBFSA-N 1 0 202.710 2.467 10 0 BEAERO CC[C@H]([NH2+]CCc1cn[nH]c1)C(C)(C)C ZINC000289954505 398194214 /nfs/dbraw/zinc/19/42/14/398194214.db2.gz WPRYCQJTPYMHQY-NSHDSACASA-N 1 0 209.337 2.367 10 0 BEAERO CC(C)[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000309325364 136218088 /nfs/dbraw/zinc/21/80/88/136218088.db2.gz GHGIYWSRKXLPRI-JSGCOSHPSA-N 1 0 219.328 2.280 10 0 BEAERO Cc1cc(N)ccc1N(C)CC1CC[NH+](C)CC1 ZINC000063120421 178106006 /nfs/dbraw/zinc/10/60/06/178106006.db2.gz GBHNKLCZRBTQDH-UHFFFAOYSA-N 1 0 247.386 2.355 10 0 BEAERO Cc1cc(N)ccc1N[C@@H]1CCC[N@@H+](C)C1 ZINC000040715752 178106410 /nfs/dbraw/zinc/10/64/10/178106410.db2.gz ATOGJYHWTNXAAA-GFCCVEGCSA-N 1 0 219.332 2.083 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])C2(CO)CCC2)c1 ZINC000536954126 398198138 /nfs/dbraw/zinc/19/81/38/398198138.db2.gz OLBHCNXXTQQGKY-CYBMUJFWSA-N 1 0 219.328 2.200 10 0 BEAERO CO[C@@H](C(C)C)[C@@H]1[NH2+]C(C)(C)CS1 ZINC000306788998 398200839 /nfs/dbraw/zinc/20/08/39/398200839.db2.gz SQTYLPSVRYCMJE-DTWKUNHWSA-N 1 0 203.351 2.099 10 0 BEAERO Cc1cc(N2CC[NH2+]C[C@@H](C)C2)ccc1F ZINC000061122290 178116585 /nfs/dbraw/zinc/11/65/85/178116585.db2.gz VWNNJHAQIHYDKB-SNVBAGLBSA-N 1 0 222.307 2.180 10 0 BEAERO Cc1cc(N2CC[C@H]([NH3+])C[C@@H]2C)ccc1F ZINC000061118424 178119778 /nfs/dbraw/zinc/11/97/78/178119778.db2.gz OPFWKOGCJQIIFY-QWRGUYRKSA-N 1 0 222.307 2.450 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000336750783 398202006 /nfs/dbraw/zinc/20/20/06/398202006.db2.gz ZUJSOYFZAVYTEP-QWRGUYRKSA-N 1 0 221.348 2.293 10 0 BEAERO Cc1nc(C[NH2+]C[C@@H](O)C(C)(C)C)sc1C ZINC000324392876 398202514 /nfs/dbraw/zinc/20/25/14/398202514.db2.gz ZGRDPSDUWWIXKI-SNVBAGLBSA-N 1 0 242.388 2.257 10 0 BEAERO CC[C@H]1CCc2nc(CC[NH3+])sc2C1 ZINC000019518602 538926464 /nfs/dbraw/zinc/92/64/64/538926464.db2.gz RQPRMERBJLCIEQ-QMMMGPOBSA-N 1 0 210.346 2.159 10 0 BEAERO C[C@@H]([NH3+])CNc1nccc2ccsc21 ZINC000306590084 398214792 /nfs/dbraw/zinc/21/47/92/398214792.db2.gz XNOXYDCBJTXGBO-SSDOTTSWSA-N 1 0 207.302 2.055 10 0 BEAERO Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)nc(C(C)C)n1 ZINC000229606594 178189320 /nfs/dbraw/zinc/18/93/20/178189320.db2.gz MTCGMIWEMAINSG-RYUDHWBXSA-N 1 0 248.374 2.461 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000400496913 398227191 /nfs/dbraw/zinc/22/71/91/398227191.db2.gz FWNIBTUWRPZKDR-KBPBESRZSA-N 1 0 241.375 2.040 10 0 BEAERO Brc1ccc(C=C2C[NH2+]C2)o1 ZINC000306641379 361753883 /nfs/dbraw/zinc/75/38/83/361753883.db2.gz QQAPFWDIGGGCTA-UHFFFAOYSA-N 1 0 214.062 2.029 10 0 BEAERO Cc1cc(OCCO[C@@H](C)C[NH3+])ccc1Cl ZINC000074528088 178211202 /nfs/dbraw/zinc/21/12/02/178211202.db2.gz KXPNEDVLPNULFU-JTQLQIEISA-N 1 0 243.734 2.391 10 0 BEAERO Cc1cc(SCC[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000052311666 178218374 /nfs/dbraw/zinc/21/83/74/178218374.db2.gz OYCQTDKJQLXPIM-LLVKDONJSA-N 1 0 239.388 2.210 10 0 BEAERO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](O)C2)CCCS1 ZINC000382205034 361781005 /nfs/dbraw/zinc/78/10/05/361781005.db2.gz KBCDFGAZBCXIQV-IJLUTSLNSA-N 1 0 229.389 2.165 10 0 BEAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)nn1C ZINC000282176990 178229480 /nfs/dbraw/zinc/22/94/80/178229480.db2.gz MODHEAJYIRLDBN-WDEREUQCSA-N 1 0 209.337 2.424 10 0 BEAERO Cc1cc([C@@H](C[NH3+])N(C)C2CC2)c(C)s1 ZINC000049687289 178235379 /nfs/dbraw/zinc/23/53/79/178235379.db2.gz DMWRESWPYPRFLM-GFCCVEGCSA-N 1 0 224.373 2.459 10 0 BEAERO Cc1cc([C@@H](C[NH3+])N2CC[C@H](C)C2)ccc1F ZINC000050546171 178235471 /nfs/dbraw/zinc/23/54/71/178235471.db2.gz QBFSNXJOCXZSFX-IINYFYTJSA-N 1 0 236.334 2.476 10 0 BEAERO Cc1cc([C@@H](O)C(C)(C)C[NH3+])ccc1F ZINC000082641651 178236872 /nfs/dbraw/zinc/23/68/72/178236872.db2.gz ZNCLKMXHYQTJPV-LLVKDONJSA-N 1 0 211.280 2.152 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@H]2CCOC2)c(C)s1 ZINC000048622909 178237549 /nfs/dbraw/zinc/23/75/49/178237549.db2.gz PQQDDLBLZRWPDZ-ONGXEEELSA-N 1 0 211.330 2.401 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@@H]2CCCOC2)c(C)o1 ZINC000062234646 178237707 /nfs/dbraw/zinc/23/77/07/178237707.db2.gz YNJPKKRKJPTXCX-PWSUYJOCSA-N 1 0 209.289 2.323 10 0 BEAERO C[NH2+][C@H](C)c1csc(N2CCCC2)n1 ZINC000070844238 361795353 /nfs/dbraw/zinc/79/53/53/361795353.db2.gz VGFMQUUGIOTLLU-MRVPVSSYSA-N 1 0 211.334 2.024 10 0 BEAERO Cc1cc([C@H](C[NH3+])N2CCCC2)ccc1F ZINC000050545800 178260644 /nfs/dbraw/zinc/26/06/44/178260644.db2.gz PUGIYIVPUYKSIT-ZDUSSCGKSA-N 1 0 222.307 2.230 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CCCOC2)c(C)o1 ZINC000062234649 178263149 /nfs/dbraw/zinc/26/31/49/178263149.db2.gz YNJPKKRKJPTXCX-CMPLNLGQSA-N 1 0 209.289 2.323 10 0 BEAERO Cc1cc2c(ncnc2N[C@H]2CCC[NH2+]C2)s1 ZINC000104346002 178280727 /nfs/dbraw/zinc/28/07/27/178280727.db2.gz BGWLDCJDLINIGV-VIFPVBQESA-N 1 0 248.355 2.164 10 0 BEAERO CCC(CC)C[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000336756193 168363373 /nfs/dbraw/zinc/36/33/73/168363373.db2.gz IPMVIYZOEHFVLJ-WCQYABFASA-N 1 0 212.381 2.352 10 0 BEAERO Cc1cc2c(ncnc2SCC[NH3+])s1 ZINC000057832290 178282456 /nfs/dbraw/zinc/28/24/56/178282456.db2.gz FTCBHPFQSQSRBV-UHFFFAOYSA-N 1 0 225.342 2.051 10 0 BEAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)CO)CCCO2 ZINC000127581442 178287727 /nfs/dbraw/zinc/28/77/27/178287727.db2.gz JDYQZNSXFZTJAT-JSGCOSHPSA-N 1 0 249.354 2.488 10 0 BEAERO Cc1cc2c(cc1C)[S@@](=O)CCC[C@H]2[NH3+] ZINC000040974998 178288064 /nfs/dbraw/zinc/28/80/64/178288064.db2.gz WONRZYBSIWCUNT-IAQYHMDHSA-N 1 0 223.341 2.205 10 0 BEAERO Cc1cc2ccccc2c(NC[C@H](C)O)[nH+]1 ZINC000302026589 178297628 /nfs/dbraw/zinc/29/76/28/178297628.db2.gz GYIJVEXIAJZVME-JTQLQIEISA-N 1 0 216.284 2.336 10 0 BEAERO CCC(CC)C[NH2+][C@H]1CCc2nccn2C1 ZINC000370965100 168364859 /nfs/dbraw/zinc/36/48/59/168364859.db2.gz KFVRVFUCQKZITJ-LBPRGKRZSA-N 1 0 221.348 2.224 10 0 BEAERO Cc1ccc(-c2cccc(C(N)=[NH2+])n2)cc1 ZINC000071186715 178326529 /nfs/dbraw/zinc/32/65/29/178326529.db2.gz GWGFQSAUVFSBBC-UHFFFAOYSA-N 1 0 211.268 2.341 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051792908 168367295 /nfs/dbraw/zinc/36/72/95/168367295.db2.gz GRMRDQFSERYKAU-CMPLNLGQSA-N 1 0 226.364 2.022 10 0 BEAERO CCC(CC)N(C)C(=O)c1cccc(CC[NH3+])c1 ZINC000053662187 168367319 /nfs/dbraw/zinc/36/73/19/168367319.db2.gz XGRHBAWVCHHBCS-UHFFFAOYSA-N 1 0 248.370 2.448 10 0 BEAERO Cc1ccc(-c2nc(C)cc(C[NH3+])n2)cc1 ZINC000020388264 178333519 /nfs/dbraw/zinc/33/35/19/178333519.db2.gz VGYZUMDQUJFICX-UHFFFAOYSA-N 1 0 213.284 2.219 10 0 BEAERO Cc1ccc(-c2nc(C(C)(C)[NH3+])no2)cc1 ZINC000041052851 178333535 /nfs/dbraw/zinc/33/35/35/178333535.db2.gz IPDRQRAABOUEDJ-UHFFFAOYSA-N 1 0 217.272 2.239 10 0 BEAERO Cc1oc(-c2ccc(C)cc2)nc1C[NH3+] ZINC000021924367 178334840 /nfs/dbraw/zinc/33/48/40/178334840.db2.gz NTFPEQMQDBLFDO-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])no2)cc1F ZINC000041052279 178335893 /nfs/dbraw/zinc/33/58/93/178335893.db2.gz VVBKYWSMGUSVMM-SSDOTTSWSA-N 1 0 221.235 2.204 10 0 BEAERO CCC(CC)N(C)C(=O)C1CCC(C[NH3+])CC1 ZINC000055147597 168368151 /nfs/dbraw/zinc/36/81/51/168368151.db2.gz REIZQFGPMHCNJE-UHFFFAOYSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1ccc(-c2nccc(CC[NH3+])n2)cc1F ZINC000054833626 178338765 /nfs/dbraw/zinc/33/87/65/178338765.db2.gz PNQUCUHIALWEFN-UHFFFAOYSA-N 1 0 231.274 2.092 10 0 BEAERO Cc1ccc(-c2nnc(CCC[NH3+])o2)cc1F ZINC000050283558 178339849 /nfs/dbraw/zinc/33/98/49/178339849.db2.gz BQZWQZJTTOLOIF-UHFFFAOYSA-N 1 0 235.262 2.075 10 0 BEAERO Cc1ccc(-c2nnc(C[NH2+]C(C)C)o2)o1 ZINC000050615962 178341558 /nfs/dbraw/zinc/34/15/58/178341558.db2.gz PJWVADSLATZRKF-UHFFFAOYSA-N 1 0 221.260 2.136 10 0 BEAERO Cc1ccc(-n2cc(C[NH3+])cn2)cc1Cl ZINC000019481649 178346339 /nfs/dbraw/zinc/34/63/39/178346339.db2.gz FLGWBPIEKOWTAR-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO CCC(CC)[N@H+](CCO)Cc1cccc(N)c1 ZINC000042483370 168374448 /nfs/dbraw/zinc/37/44/48/168374448.db2.gz SFYWLPSDLKCKSO-UHFFFAOYSA-N 1 0 236.359 2.252 10 0 BEAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1C ZINC000082284063 178396366 /nfs/dbraw/zinc/39/63/66/178396366.db2.gz CXUDIIQPQSZCBI-CQSZACIVSA-N 1 0 246.354 2.080 10 0 BEAERO C[NH2+][C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381769525 398271663 /nfs/dbraw/zinc/27/16/63/398271663.db2.gz YEWGKMSTPHZLEB-MNOVXSKESA-N 1 0 232.318 2.106 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2cccc(N)n2)C1 ZINC000616613051 349604418 /nfs/dbraw/zinc/60/44/18/349604418.db2.gz HQFSRGFFJSHVQA-JTQLQIEISA-N 1 0 219.332 2.252 10 0 BEAERO CC1(C)[C@@H](O)CC[N@@H+]1C[C@H]1CCCC1(F)F ZINC000336144833 342694492 /nfs/dbraw/zinc/69/44/92/342694492.db2.gz VCHWVSQPWLTLOC-ZJUUUORDSA-N 1 0 233.302 2.267 10 0 BEAERO CC[N@H+](C)Cc1ccc2c(c1)CCCN2 ZINC000037078980 538961502 /nfs/dbraw/zinc/96/15/02/538961502.db2.gz STIOMCYCCUSPII-UHFFFAOYSA-N 1 0 204.317 2.496 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccco1 ZINC000037165962 538961636 /nfs/dbraw/zinc/96/16/36/538961636.db2.gz QYLRZEGIXWRCLA-DCAQKATOSA-N 1 0 209.289 2.234 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccn1 ZINC000037165119 538961727 /nfs/dbraw/zinc/96/17/27/538961727.db2.gz YFLUNZHRXGGYBV-TUAOUCFPSA-N 1 0 220.316 2.036 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037166297 538961757 /nfs/dbraw/zinc/96/17/57/538961757.db2.gz OGVJNBPEFGIYDB-AGIUHOORSA-N 1 0 237.343 2.494 10 0 BEAERO Nc1cc(C[NH+]2CCCCC2)cc2[nH]cnc21 ZINC000004343982 342746900 /nfs/dbraw/zinc/74/69/00/342746900.db2.gz SEKARZMERHWIHZ-UHFFFAOYSA-N 1 0 230.315 2.131 10 0 BEAERO CCC(CC)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019427781 168382924 /nfs/dbraw/zinc/38/29/24/168382924.db2.gz OCNIQQYWRGVVRN-WXHSDQCUSA-N 1 0 238.375 2.212 10 0 BEAERO CCC(CC)NC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339508027 168383082 /nfs/dbraw/zinc/38/30/82/168383082.db2.gz OGWSDZZJFDKYJS-NSHDSACASA-N 1 0 240.391 2.458 10 0 BEAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccco1 ZINC000038095479 538964598 /nfs/dbraw/zinc/96/45/98/538964598.db2.gz PVSPACSMLYIPEY-MNOVXSKESA-N 1 0 209.289 2.499 10 0 BEAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccco1 ZINC000038095480 538964733 /nfs/dbraw/zinc/96/47/33/538964733.db2.gz PVSPACSMLYIPEY-WDEREUQCSA-N 1 0 209.289 2.499 10 0 BEAERO CC[C@H]([NH2+]CC(C)(C)C(=O)OC)[C@H]1C[C@H]1C ZINC000321047321 342749991 /nfs/dbraw/zinc/74/99/91/342749991.db2.gz GDSZGOUQRVGHGI-VWYCJHECSA-N 1 0 227.348 2.210 10 0 BEAERO C[C@H]([NH3+])c1cnc(N2CCCCC2)s1 ZINC000054864390 398283889 /nfs/dbraw/zinc/28/38/89/398283889.db2.gz ZCFNOPGILYGZBA-QMMMGPOBSA-N 1 0 211.334 2.153 10 0 BEAERO C[C@H](O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000005641387 342767779 /nfs/dbraw/zinc/76/77/79/342767779.db2.gz APLPFTYDMDHGAR-LBPRGKRZSA-N 1 0 219.328 2.279 10 0 BEAERO c1ccc2sc([C@]34C[C@H]3C[NH2+]C4)nc2c1 ZINC000147312796 342774063 /nfs/dbraw/zinc/77/40/63/342774063.db2.gz IMAUFDNEOGMGSB-UFBFGSQYSA-N 1 0 216.309 2.157 10 0 BEAERO [NH3+][C@H](CCC(F)(F)F)c1ccccn1 ZINC000070917647 361885379 /nfs/dbraw/zinc/88/53/79/361885379.db2.gz IRBRCLYCGMBJRH-SSDOTTSWSA-N 1 0 204.195 2.424 10 0 BEAERO CCN1CC[N@H+](C[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000336255223 342795091 /nfs/dbraw/zinc/79/50/91/342795091.db2.gz CGDOSHBKKLEQKC-VXGBXAGGSA-N 1 0 246.345 2.448 10 0 BEAERO CCN1CC[N@H+](C[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000336255220 342795104 /nfs/dbraw/zinc/79/51/04/342795104.db2.gz CGDOSHBKKLEQKC-NEPJUHHUSA-N 1 0 246.345 2.448 10 0 BEAERO Oc1cccc(SC[C@H]2CC[NH2+]C2)c1 ZINC000127052017 342816973 /nfs/dbraw/zinc/81/69/73/342816973.db2.gz JFIWAUDSKSEASU-VIFPVBQESA-N 1 0 209.314 2.094 10 0 BEAERO CC(C)[N@H+](CCO)C[C@H]1Cc2ccccc21 ZINC000085576463 398289237 /nfs/dbraw/zinc/28/92/37/398289237.db2.gz STHSREAKTDKTMW-CYBMUJFWSA-N 1 0 219.328 2.029 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(=O)N(C)C ZINC000036794196 342834767 /nfs/dbraw/zinc/83/47/67/342834767.db2.gz BIWNYDKDKDHDPT-SRVKXCTJSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(=O)N(C)C ZINC000036794198 342834841 /nfs/dbraw/zinc/83/48/41/342834841.db2.gz BIWNYDKDKDHDPT-SDDRHHMPSA-N 1 0 240.391 2.268 10 0 BEAERO CCC[N@H+](C)C[C@H](O)c1cccc(C)c1 ZINC000044127634 538986943 /nfs/dbraw/zinc/98/69/43/538986943.db2.gz ZDDWIXYMFAZIHE-ZDUSSCGKSA-N 1 0 207.317 2.370 10 0 BEAERO Cc1[nH+]ccc(NCC[C@@H]2CCCO2)c1Cl ZINC000380728929 538992316 /nfs/dbraw/zinc/99/23/16/538992316.db2.gz PWVZZRSIHVSMAL-JTQLQIEISA-N 1 0 240.734 2.446 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C[C@H](C)CO)ccc1F ZINC000381444099 539000734 /nfs/dbraw/zinc/00/07/34/539000734.db2.gz FIBZLONADTWOGW-ONGXEEELSA-N 1 0 225.307 2.413 10 0 BEAERO CC[N@H+]1C[C@H](Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000381466794 539001329 /nfs/dbraw/zinc/00/13/29/539001329.db2.gz MTOCUOPYIYLJQA-ONGXEEELSA-N 1 0 239.750 2.487 10 0 BEAERO C[NH2+]C[C@@H](C)C(=O)CCCOCc1ccccc1 ZINC000381955753 539008017 /nfs/dbraw/zinc/00/80/17/539008017.db2.gz FCJBYGUMIVDONE-CYBMUJFWSA-N 1 0 249.354 2.408 10 0 BEAERO C[N@@H+]1CCC=C[C@H]1C[C@H](O)c1ccccc1 ZINC000138415678 342839208 /nfs/dbraw/zinc/83/92/08/342839208.db2.gz GWPTZCOGIWPPRH-KBPBESRZSA-N 1 0 217.312 2.370 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192547740 538995607 /nfs/dbraw/zinc/99/56/07/538995607.db2.gz CSBNUAKHAAXIRB-WPRPVWTQSA-N 1 0 248.351 2.098 10 0 BEAERO CCC(CC)[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000104416814 168399586 /nfs/dbraw/zinc/39/95/86/168399586.db2.gz KFJOHPAXPOETOJ-WXHSDQCUSA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)[C@H]1C[NH2+]CC[C@@H]1c1cscn1 ZINC000127078556 342836812 /nfs/dbraw/zinc/83/68/12/342836812.db2.gz CYBGZKKYPSAPGX-VHSXEESVSA-N 1 0 210.346 2.492 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000381423089 539000107 /nfs/dbraw/zinc/00/01/07/539000107.db2.gz XYAPBEAEFBGENS-XQQFMLRXSA-N 1 0 229.364 2.085 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC)cc1 ZINC000037016594 398299570 /nfs/dbraw/zinc/29/95/70/398299570.db2.gz AYZXZRHELGLNJQ-GXFFZTMASA-N 1 0 234.343 2.164 10 0 BEAERO COCCC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000061674470 539015398 /nfs/dbraw/zinc/01/53/98/539015398.db2.gz LTQJQCIJDSXBJK-UHFFFAOYSA-N 1 0 229.364 2.208 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000389600851 539016884 /nfs/dbraw/zinc/01/68/84/539016884.db2.gz UKUFMJMILKFGGC-IINYFYTJSA-N 1 0 201.313 2.399 10 0 BEAERO [NH3+]C1(c2sccc2Cl)CCOCC1 ZINC000229927345 342855658 /nfs/dbraw/zinc/85/56/58/342855658.db2.gz XDQUFZPBAWTRPG-UHFFFAOYSA-N 1 0 217.721 2.366 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000134543571 342863843 /nfs/dbraw/zinc/86/38/43/342863843.db2.gz YCOPIIIXXIEAAE-KWQFWETISA-N 1 0 226.707 2.002 10 0 BEAERO CC(C)[C@H]1CCC[C@]([NH3+])(c2ncc[nH]2)C1 ZINC000521401597 398305155 /nfs/dbraw/zinc/30/51/55/398305155.db2.gz LGWXCSHYQJEQSW-CMPLNLGQSA-N 1 0 207.321 2.410 10 0 BEAERO CCNC(=[NH2+])c1ccc(Cl)cc1OC ZINC000233492657 342868250 /nfs/dbraw/zinc/86/82/50/342868250.db2.gz AUFDTTCAVALPOG-UHFFFAOYSA-N 1 0 212.680 2.283 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)cc1F ZINC000132662701 398307958 /nfs/dbraw/zinc/30/79/58/398307958.db2.gz HIXOXOODJDHSJX-ZJUUUORDSA-N 1 0 238.306 2.049 10 0 BEAERO Cc1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000013727383 342870965 /nfs/dbraw/zinc/87/09/65/342870965.db2.gz YIQDEONQAFHPLW-UHFFFAOYSA-N 1 0 246.354 2.097 10 0 BEAERO CCOc1ccc([C@H](C[NH3+])N(CC)CC)cc1 ZINC000038809133 342878381 /nfs/dbraw/zinc/87/83/81/342878381.db2.gz QBQSTCHOUOHXHS-AWEZNQCLSA-N 1 0 236.359 2.427 10 0 BEAERO N[C@H](Cc1ccc(F)cc1F)C(F)F ZINC000229943544 342858174 /nfs/dbraw/zinc/85/81/74/342858174.db2.gz JNFKBJORTVAPBN-MRVPVSSYSA-N 1 0 207.170 2.100 10 0 BEAERO O=C1CCC[C@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134830290 342894952 /nfs/dbraw/zinc/89/49/52/342894952.db2.gz SIIIONZBJZDVPM-SDDRHHMPSA-N 1 0 207.317 2.373 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc(Cl)cs1 ZINC000165286901 342896553 /nfs/dbraw/zinc/89/65/53/342896553.db2.gz VCCCFHCFRKSPQS-RNFRBKRXSA-N 1 0 231.752 2.478 10 0 BEAERO [NH3+][C@@H](c1ncccc1Br)C1CC1 ZINC000134754950 342882500 /nfs/dbraw/zinc/88/25/00/342882500.db2.gz IMXZHLJEAVHAQC-MRVPVSSYSA-N 1 0 227.105 2.254 10 0 BEAERO CCS[C@H]1CCC[C@H]1[NH+]1CCC(=O)CC1 ZINC000233827139 342887818 /nfs/dbraw/zinc/88/78/18/342887818.db2.gz UEDMDHHFDWIXRS-NEPJUHHUSA-N 1 0 227.373 2.326 10 0 BEAERO CCC1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCC1 ZINC000232987697 342891130 /nfs/dbraw/zinc/89/11/30/342891130.db2.gz SRSXLDPKAMOOCW-LBPRGKRZSA-N 1 0 238.375 2.073 10 0 BEAERO COC(=O)CCC[NH2+][C@H](C)c1cccs1 ZINC000035737045 342891400 /nfs/dbraw/zinc/89/14/00/342891400.db2.gz SYWXNFNMTRPZHM-SECBINFHSA-N 1 0 227.329 2.352 10 0 BEAERO CCC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCC1 ZINC000232988586 342891452 /nfs/dbraw/zinc/89/14/52/342891452.db2.gz SRSXLDPKAMOOCW-GFCCVEGCSA-N 1 0 238.375 2.073 10 0 BEAERO [NH3+][C@@H]1CCOc2ccc(C(F)(F)F)cc21 ZINC000016082997 342905817 /nfs/dbraw/zinc/90/58/17/342905817.db2.gz UPEDVFHMBQZINU-MRVPVSSYSA-N 1 0 217.190 2.488 10 0 BEAERO CC[C@@H]1CN(C/C=C/Cl)C(C)(C)C[NH2+]1 ZINC000233914502 342900546 /nfs/dbraw/zinc/90/05/46/342900546.db2.gz BOLJDSMHAVPJSM-BRAIEQGRSA-N 1 0 216.756 2.201 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCN1C ZINC000134844409 342901108 /nfs/dbraw/zinc/90/11/08/342901108.db2.gz YGQYWGSFXQSUSW-RDBSUJKOSA-N 1 0 224.392 2.497 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037166981 342923353 /nfs/dbraw/zinc/92/33/53/342923353.db2.gz SKBSNWBPKVXLIG-NEPJUHHUSA-N 1 0 200.370 2.351 10 0 BEAERO CC(C)(C)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479923 344011447 /nfs/dbraw/zinc/01/14/47/344011447.db2.gz MPZWOXUHBXLSBH-FOSCPWQOSA-N 1 0 211.349 2.125 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)CCc2ccco2)c1 ZINC000123954721 398338708 /nfs/dbraw/zinc/33/87/08/398338708.db2.gz VTTNFDZXORNFFA-ZDUSSCGKSA-N 1 0 247.342 2.395 10 0 BEAERO C[NH2+]C[C@H]1CCCc2cc(OC)c(OC)cc21 ZINC000214297381 349670755 /nfs/dbraw/zinc/67/07/55/349670755.db2.gz OYQYYRSRGRYKKE-LLVKDONJSA-N 1 0 235.327 2.343 10 0 BEAERO Fc1cccc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000037988679 398335480 /nfs/dbraw/zinc/33/54/80/398335480.db2.gz IYEZIYBFXOUAII-CYBMUJFWSA-N 1 0 223.291 2.484 10 0 BEAERO CCc1nnc(C[NH2+][C@H]2CCCC[C@H]2C)n1C ZINC000162375686 349677029 /nfs/dbraw/zinc/67/70/29/349677029.db2.gz NUZCRLULROUBGL-MNOVXSKESA-N 1 0 236.363 2.046 10 0 BEAERO CCc1nnc(C[NH2+][C@@H]2CCCC[C@H]2C)n1C ZINC000162375559 349677064 /nfs/dbraw/zinc/67/70/64/349677064.db2.gz NUZCRLULROUBGL-GHMZBOCLSA-N 1 0 236.363 2.046 10 0 BEAERO CCc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2C)n1C ZINC000162375314 349677246 /nfs/dbraw/zinc/67/72/46/349677246.db2.gz NUZCRLULROUBGL-WDEREUQCSA-N 1 0 236.363 2.046 10 0 BEAERO CCC1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000335803670 398342808 /nfs/dbraw/zinc/34/28/08/398342808.db2.gz WJZWFBOHOASTLB-IKWCTNDRSA-N 1 0 238.375 2.212 10 0 BEAERO CCC[C@H](C)[NH2+]C[C@@H](C)N(CC)CC ZINC000053485996 346902133 /nfs/dbraw/zinc/90/21/33/346902133.db2.gz VKPIRMDZMKWPTK-NWDGAFQWSA-N 1 0 200.370 2.495 10 0 BEAERO COC(=O)C[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000019784027 342957424 /nfs/dbraw/zinc/95/74/24/342957424.db2.gz VUTKSGYZZKIRDU-MRVPVSSYSA-N 1 0 231.654 2.042 10 0 BEAERO [NH3+][C@@H]1CCc2cc(Cl)cc(Cl)c2[C@H]1O ZINC000019795455 342957862 /nfs/dbraw/zinc/95/78/62/342957862.db2.gz PUWWJJCITBSBLX-SCZZXKLOSA-N 1 0 232.110 2.300 10 0 BEAERO [NH3+][C@@H]1CCCc2ccc(Cl)cc2[C@@H]1O ZINC000019795569 342958167 /nfs/dbraw/zinc/95/81/67/342958167.db2.gz PGZGJVAXNJLLBI-MNOVXSKESA-N 1 0 211.692 2.037 10 0 BEAERO [NH3+][C@H]1CN(C2CCCC2)c2ccccc21 ZINC000019795792 342958222 /nfs/dbraw/zinc/95/82/22/342958222.db2.gz HFCUNTWVLDVQMT-LBPRGKRZSA-N 1 0 202.301 2.449 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@H](C)CO)c1 ZINC000123174155 178475371 /nfs/dbraw/zinc/47/53/71/178475371.db2.gz UYOFXDPWPNPQPT-OLZOCXBDSA-N 1 0 221.344 2.410 10 0 BEAERO N[C@@H](CC[NH+]1CCCC1)c1cccs1 ZINC000020274138 342979689 /nfs/dbraw/zinc/97/96/89/342979689.db2.gz PAHGGBYURHMNDK-JTQLQIEISA-N 1 0 210.346 2.234 10 0 BEAERO CCNc1cccnc1N(CC)C1CC[NH2+]CC1 ZINC000138659153 342985104 /nfs/dbraw/zinc/98/51/04/342985104.db2.gz QRUNCJSYXSLNMT-UHFFFAOYSA-N 1 0 248.374 2.092 10 0 BEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)C ZINC000043252049 343018491 /nfs/dbraw/zinc/01/84/91/343018491.db2.gz GAEBPYCKCZAEQC-RCOVLWMOSA-N 1 0 218.753 2.351 10 0 BEAERO CCC[C@]1(C)C[NH2+]C[C@@H](C(F)(F)F)O1 ZINC000230704039 346915876 /nfs/dbraw/zinc/91/58/76/346915876.db2.gz WQTCGIHCVFJRSK-JGVFFNPUSA-N 1 0 211.227 2.096 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1[C@H]3COC[C@H]31)CC2 ZINC000367710738 187229306 /nfs/dbraw/zinc/22/93/06/187229306.db2.gz YPCPHMMXEQXCDD-JONQDZQNSA-N 1 0 243.350 2.464 10 0 BEAERO CCOc1cc([C@H]2CCC[NH2+]2)ccc1O ZINC000072201952 343068450 /nfs/dbraw/zinc/06/84/50/343068450.db2.gz GGTBALFCCGIYEJ-SNVBAGLBSA-N 1 0 207.273 2.215 10 0 BEAERO C[C@@H]1CCSC(NC[C@@H]2CCSC2)=[NH+]1 ZINC000228589549 362006017 /nfs/dbraw/zinc/00/60/17/362006017.db2.gz WOFIAAQIJHLSKP-BDAKNGLRSA-N 1 0 230.402 2.211 10 0 BEAERO CC[C@H]([NH3+])C(=O)Nc1ccsc1Cl ZINC000306664394 362021544 /nfs/dbraw/zinc/02/15/44/362021544.db2.gz RXXIBVZQEAYVGW-YFKPBYRVSA-N 1 0 218.709 2.077 10 0 BEAERO CCCOc1ccc2[nH+]cc(N)c(N)c2c1 ZINC000584882202 343084144 /nfs/dbraw/zinc/08/41/44/343084144.db2.gz UHFDFVSWMNVYDK-UHFFFAOYSA-N 1 0 217.272 2.018 10 0 BEAERO CCNc1c(N)c[nH+]c2ccc(OC(C)C)cc21 ZINC000584882536 343085217 /nfs/dbraw/zinc/08/52/17/343085217.db2.gz JQVDCPHVAYPBSB-UHFFFAOYSA-N 1 0 245.326 2.458 10 0 BEAERO CNc1c(N)c[nH+]c2c(C)cc(Cl)cc12 ZINC000584882737 343085713 /nfs/dbraw/zinc/08/57/13/343085713.db2.gz OJCBWHBWNXAILD-UHFFFAOYSA-N 1 0 221.691 2.242 10 0 BEAERO CC(C)(C)OC(=O)N1CC2(CC2)CC[C@H]1C[NH3+] ZINC000584883373 343086221 /nfs/dbraw/zinc/08/62/21/343086221.db2.gz SMIFIWZXNGMPJS-JTQLQIEISA-N 1 0 240.347 2.125 10 0 BEAERO CN(C=O)CC1([NH+]2CCCCC2)CCCCC1 ZINC000142032740 343104186 /nfs/dbraw/zinc/10/41/86/343104186.db2.gz UUMDXVAJBXUBAV-UHFFFAOYSA-N 1 0 238.375 2.263 10 0 BEAERO CCCc1ccccc1OCC1=[NH+]CCN1 ZINC000013805961 343104478 /nfs/dbraw/zinc/10/44/78/343104478.db2.gz KJTFLBJQHBFQAF-UHFFFAOYSA-N 1 0 218.300 2.020 10 0 BEAERO CSc1ccc(C)c(NC(=O)[C@@H](C)[NH3+])c1 ZINC000261549674 187234177 /nfs/dbraw/zinc/23/41/77/187234177.db2.gz OYYRZJPZRPDJIS-MRVPVSSYSA-N 1 0 224.329 2.003 10 0 BEAERO CC[C@@H]([NH3+])[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000233893354 343115128 /nfs/dbraw/zinc/11/51/28/343115128.db2.gz BAGHFJKUKZIHPI-KDXUFGMBSA-N 1 0 205.392 2.349 10 0 BEAERO C[C@H](C(N)=S)[N@H+](C)C1CCC(C)CC1 ZINC000043514366 343116431 /nfs/dbraw/zinc/11/64/31/343116431.db2.gz YGPNOPHXYXBBJQ-HWOCKDDLSA-N 1 0 214.378 2.172 10 0 BEAERO C[C@@H](C(N)=S)[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000043514609 343116469 /nfs/dbraw/zinc/11/64/69/343116469.db2.gz HHHHTPQUWZYPOS-KXUCPTDWSA-N 1 0 214.378 2.172 10 0 BEAERO C[C@@H](C[NH3+])Sc1ccc(F)c(F)c1 ZINC000043514581 343116569 /nfs/dbraw/zinc/11/65/69/343116569.db2.gz JLGYHOGWIKYALC-LURJTMIESA-N 1 0 203.257 2.404 10 0 BEAERO CC[NH2+][C@H]1CCc2cccc(OC)c2C1 ZINC000039310965 343123962 /nfs/dbraw/zinc/12/39/62/343123962.db2.gz BOGGTGDIOROWLJ-NSHDSACASA-N 1 0 205.301 2.162 10 0 BEAERO CC[C@H]([NH3+])[C@@H]1CSc2ccccc2O1 ZINC000234032481 343124232 /nfs/dbraw/zinc/12/42/32/343124232.db2.gz JMBHWISCXJNGQH-WPRPVWTQSA-N 1 0 209.314 2.277 10 0 BEAERO CC(=O)Oc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000309301401 343128577 /nfs/dbraw/zinc/12/85/77/343128577.db2.gz VFTQOZHLTMRDLU-CYBMUJFWSA-N 1 0 219.284 2.427 10 0 BEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1C/C=C/Cl ZINC000233920082 343130071 /nfs/dbraw/zinc/13/00/71/343130071.db2.gz OVYIOUFGEVCANS-BRAIEQGRSA-N 1 0 216.756 2.201 10 0 BEAERO [NH3+]Cc1cccc2c1cnn2[C@@H]1CCCCO1 ZINC000144776779 343137844 /nfs/dbraw/zinc/13/78/44/343137844.db2.gz ZCOAYWRMIOYYQP-ZDUSSCGKSA-N 1 0 231.299 2.194 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc2ccncc21 ZINC000131153647 343182619 /nfs/dbraw/zinc/18/26/19/343182619.db2.gz LZXUXHGJKMOHEE-GFCCVEGCSA-N 1 0 243.310 2.301 10 0 BEAERO Cc1ccc(O)c(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000094574183 343156609 /nfs/dbraw/zinc/15/66/09/343156609.db2.gz DCKDPMCBXNQEIZ-NSHDSACASA-N 1 0 248.326 2.029 10 0 BEAERO C[C@H]1CC[C@@H](c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000077366182 187242217 /nfs/dbraw/zinc/24/22/17/187242217.db2.gz XAANZIRVRQHCJE-CMPLNLGQSA-N 1 0 233.311 2.313 10 0 BEAERO CC(C)([NH3+])Cc1ccc(Br)o1 ZINC000083301690 187242634 /nfs/dbraw/zinc/24/26/34/187242634.db2.gz KHCJSYZBXOSNEQ-UHFFFAOYSA-N 1 0 218.094 2.322 10 0 BEAERO Nc1cc[nH+]c(NCc2ccc(F)cc2)c1 ZINC000043568394 343173140 /nfs/dbraw/zinc/17/31/40/343173140.db2.gz KAQWLPCOVDCDID-UHFFFAOYSA-N 1 0 217.247 2.415 10 0 BEAERO CCC[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000128522917 343174905 /nfs/dbraw/zinc/17/49/05/343174905.db2.gz CTLRIKDXJJDADG-UHFFFAOYSA-N 1 0 218.344 2.174 10 0 BEAERO c1cc2c(ccnc2N[C@@H]2CCC[NH2+]C2)s1 ZINC000070950462 343214828 /nfs/dbraw/zinc/21/48/28/343214828.db2.gz VYZYKWACPTWBNB-SECBINFHSA-N 1 0 233.340 2.460 10 0 BEAERO CC[C@H]([NH3+])[C@H]1CSc2ccccc2O1 ZINC000234044109 343215610 /nfs/dbraw/zinc/21/56/10/343215610.db2.gz JMBHWISCXJNGQH-WCBMZHEXSA-N 1 0 209.314 2.277 10 0 BEAERO C[C@H](CC[NH2+]C1COC1)c1ccccc1 ZINC000082488685 136276594 /nfs/dbraw/zinc/27/65/94/136276594.db2.gz GFPXOHPDHDYZAR-LLVKDONJSA-N 1 0 205.301 2.169 10 0 BEAERO C/C=C/[N@H+](C)CCC[C@H](O)c1cccnc1 ZINC000006562317 187248992 /nfs/dbraw/zinc/24/89/92/187248992.db2.gz FXHQYUYOAGYBTE-FOWFJEMPSA-N 1 0 220.316 2.361 10 0 in-vitro BEAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000071000879 343224624 /nfs/dbraw/zinc/22/46/24/343224624.db2.gz KCDGCTAOJANRDK-IUCAKERBSA-N 1 0 209.293 2.049 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000011959163 187250868 /nfs/dbraw/zinc/25/08/68/187250868.db2.gz ZQHQVGFYRBCLNP-JTQLQIEISA-N 1 0 246.232 2.026 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2CCCCS2)cnn1C ZINC000087684291 136282313 /nfs/dbraw/zinc/28/23/13/136282313.db2.gz XZQILWUKUAPFTP-GFCCVEGCSA-N 1 0 239.388 2.104 10 0 BEAERO CC(C)(C[NH3+])N1CCC[C@H]2CCCC[C@@H]21 ZINC000036826755 187249213 /nfs/dbraw/zinc/24/92/13/187249213.db2.gz SFUVXJREDAMPLJ-NEPJUHHUSA-N 1 0 210.365 2.378 10 0 BEAERO CCN(CC)c1ccc(CC[NH3+])cc1C ZINC000036203701 187249982 /nfs/dbraw/zinc/24/99/82/187249982.db2.gz FHXZTLIXZNHLIE-UHFFFAOYSA-N 1 0 206.333 2.342 10 0 BEAERO COc1ccc([C@H]([NH3+])c2ccncc2)c(OC)c1 ZINC000011832592 187250490 /nfs/dbraw/zinc/25/04/90/187250490.db2.gz RPCSNYLFYCGIDC-CQSZACIVSA-N 1 0 244.294 2.147 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCc2nccn2C1)C(C)C ZINC000371480739 343286360 /nfs/dbraw/zinc/28/63/60/343286360.db2.gz QLLSDOMAFRVHLF-VXGBXAGGSA-N 1 0 221.348 2.222 10 0 BEAERO CCc1ccc(OCCCC(N)=[NH2+])cc1 ZINC000019432568 187252234 /nfs/dbraw/zinc/25/22/34/187252234.db2.gz CLMYZBWVKHICQC-UHFFFAOYSA-N 1 0 206.289 2.344 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000033867558 343261916 /nfs/dbraw/zinc/26/19/16/343261916.db2.gz DAZNTCWAWDDQMO-ZIAGYGMSSA-N 1 0 219.328 2.206 10 0 BEAERO Cn1cc(C=[N+]2CCCC2)c2ccccc21 ZINC000033868513 343262013 /nfs/dbraw/zinc/26/20/13/343262013.db2.gz QGBPQLVTZHTUNP-UHFFFAOYSA-N 1 0 213.304 2.404 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1nncn1C)[C@@H]1CC1(C)C ZINC000397653104 262928735 /nfs/dbraw/zinc/92/87/35/262928735.db2.gz BBBYWYLLJUXIAM-VWYCJHECSA-N 1 0 236.363 2.290 10 0 BEAERO COC(=O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000036803978 343324399 /nfs/dbraw/zinc/32/43/99/343324399.db2.gz SVNHTXYQINJLML-MRVPVSSYSA-N 1 0 243.253 2.179 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000060251013 343297333 /nfs/dbraw/zinc/29/73/33/343297333.db2.gz SCGKWJPDOYLEMK-UHFFFAOYSA-N 1 0 207.321 2.388 10 0 BEAERO COc1cccc(C[N@H+](C[C@@H](C)O)C(C)C)c1 ZINC000036098345 343308811 /nfs/dbraw/zinc/30/88/11/343308811.db2.gz VDSFABGAIYJRPN-GFCCVEGCSA-N 1 0 237.343 2.286 10 0 BEAERO C[N@H+](CC1CC1)[C@@H]1CCCCCC[C@@H]1N ZINC000037925466 187253676 /nfs/dbraw/zinc/25/36/76/187253676.db2.gz BLBRCVVIXPNEMW-QWHCGFSZSA-N 1 0 210.365 2.378 10 0 BEAERO CCOc1ccc(Br)cc1CC[NH3+] ZINC000036192979 343311702 /nfs/dbraw/zinc/31/17/02/343311702.db2.gz XBMBFABPLGJJGQ-UHFFFAOYSA-N 1 0 244.132 2.349 10 0 BEAERO Cc1ccc2c(c1)CC[C@@H]2C1=[NH+]CCN1 ZINC000039111306 187255541 /nfs/dbraw/zinc/25/55/41/187255541.db2.gz CIUWFCKGOVODNC-LBPRGKRZSA-N 1 0 200.285 2.027 10 0 BEAERO Cn1nc(-c2ccc(Cl)cc2)c2c1CC[NH2+]C2 ZINC000028009053 187255753 /nfs/dbraw/zinc/25/57/53/187255753.db2.gz PKABKNYAOQJPHD-UHFFFAOYSA-N 1 0 247.729 2.386 10 0 BEAERO CCOc1cc2c(cc1[C@H]1C[C@H]1[NH3+])O[C@H](C)C2 ZINC000037381390 343344212 /nfs/dbraw/zinc/34/42/12/343344212.db2.gz WSQZNUSPGAJJGI-HLUHBDAQSA-N 1 0 233.311 2.223 10 0 BEAERO [NH3+]Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000039216967 187256034 /nfs/dbraw/zinc/25/60/34/187256034.db2.gz ORINBWURJJMNPP-AWEZNQCLSA-N 1 0 213.280 2.227 10 0 BEAERO C([N@@H+]1CCCNCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036946315 187259138 /nfs/dbraw/zinc/25/91/38/187259138.db2.gz ODRGMBPEKPJJMU-UHFFFAOYSA-N 1 0 248.414 2.498 10 0 BEAERO OC1(CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000335678494 136319441 /nfs/dbraw/zinc/31/94/41/136319441.db2.gz IRBQWMUDCOGUHN-VXGBXAGGSA-N 1 0 241.400 2.261 10 0 BEAERO CCO[C@]1(c2ccco2)CC[NH2+]C[C@@H]1C ZINC000039099617 343383064 /nfs/dbraw/zinc/38/30/64/343383064.db2.gz HKOZBYYRUBFSPP-CMPLNLGQSA-N 1 0 209.289 2.141 10 0 BEAERO CCc1ccc(C2CC[NH2+]CC2)c(O)c1 ZINC000039101052 343383840 /nfs/dbraw/zinc/38/38/40/343383840.db2.gz LGWQLIQQDDQIOQ-UHFFFAOYSA-N 1 0 205.301 2.422 10 0 BEAERO Cc1cc(CC[NH3+])ccc1Br ZINC000039109526 343384888 /nfs/dbraw/zinc/38/48/88/343384888.db2.gz VOOSSNUFARORTK-UHFFFAOYSA-N 1 0 214.106 2.259 10 0 BEAERO CO[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000201869817 343391787 /nfs/dbraw/zinc/39/17/87/343391787.db2.gz YPGXFZXEZBGZLM-NEPJUHHUSA-N 1 0 209.264 2.265 10 0 BEAERO CC1(C)C[N@@H+](C2CCC2)C[C@]2(CCCOC2)O1 ZINC000335738180 136350926 /nfs/dbraw/zinc/35/09/26/136350926.db2.gz KTNAYENNJCISGU-AWEZNQCLSA-N 1 0 239.359 2.199 10 0 BEAERO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CCN(C)C1 ZINC000042544784 343443283 /nfs/dbraw/zinc/44/32/83/343443283.db2.gz YTZGWYJAGBGQIG-JHJVBQTASA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)(C)CCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000258965723 136374181 /nfs/dbraw/zinc/37/41/81/136374181.db2.gz CISZTMCAUMSVPA-LLVKDONJSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1ccc(CN(C(=O)CCC[NH3+])C2CC2)cc1 ZINC000037809021 178539174 /nfs/dbraw/zinc/53/91/74/178539174.db2.gz CXQFALAKMNUPTF-UHFFFAOYSA-N 1 0 246.354 2.225 10 0 BEAERO CC(C)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000082725346 343461080 /nfs/dbraw/zinc/46/10/80/343461080.db2.gz VBFKZBKDFGZFOU-CHWSQXEVSA-N 1 0 210.365 2.201 10 0 BEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)C ZINC000043252053 343467142 /nfs/dbraw/zinc/46/71/42/343467142.db2.gz GAEBPYCKCZAEQC-IMTBSYHQSA-N 1 0 218.753 2.351 10 0 BEAERO c1cc2ccc([C@H]3CCOCC[NH2+]3)cc2cn1 ZINC000616657507 343532024 /nfs/dbraw/zinc/53/20/24/343532024.db2.gz DBBHNFWZVZBTNV-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO [NH3+]Cc1cccc(Oc2cccnc2)c1 ZINC000039090713 187263675 /nfs/dbraw/zinc/26/36/75/187263675.db2.gz VYXXAQDHJHQUPN-UHFFFAOYSA-N 1 0 200.241 2.333 10 0 BEAERO CC[C@H](CSC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000379528146 343571862 /nfs/dbraw/zinc/57/18/62/343571862.db2.gz TYOGNHAEDKCLKC-NXEZZACHSA-N 1 0 219.394 2.125 10 0 BEAERO CC(C)c1nccc([C@@H]2CCC[NH2+]C2)n1 ZINC000048285381 343575754 /nfs/dbraw/zinc/57/57/54/343575754.db2.gz LZQUSLTZBZYBNL-SNVBAGLBSA-N 1 0 205.305 2.067 10 0 BEAERO c1cc([C@H]2[NH2+]CCc3ccsc32)sn1 ZINC000712513986 537787763 /nfs/dbraw/zinc/78/77/63/537787763.db2.gz BKYOCXIMTZCRQZ-SECBINFHSA-N 1 0 222.338 2.440 10 0 BEAERO COc1cc(C(=[NH2+])NO)cc(C2CCCC2)n1 ZINC000167262968 343589607 /nfs/dbraw/zinc/58/96/07/343589607.db2.gz WVDHWXNFUGTCJB-UHFFFAOYSA-N 1 0 235.287 2.052 10 0 BEAERO Cc1ccccc1[C@@H](C[NH3+])OC[C@H]1CCOC1 ZINC000043040564 187266986 /nfs/dbraw/zinc/26/69/86/187266986.db2.gz SLLIHGUCPWLPQV-GXTWGEPZSA-N 1 0 235.327 2.048 10 0 BEAERO CN1C[C@@]2(CC1(C)C)[NH2+]CCc1ccsc12 ZINC000712522132 537790861 /nfs/dbraw/zinc/79/08/61/537790861.db2.gz GQRLMBLNNDYPIE-CYBMUJFWSA-N 1 0 236.384 2.203 10 0 BEAERO Nc1cccc(SCC2CC[NH2+]CC2)c1 ZINC000083324066 187267436 /nfs/dbraw/zinc/26/74/36/187267436.db2.gz OMGHMHUHSYCYEA-UHFFFAOYSA-N 1 0 222.357 2.361 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000309486829 343603992 /nfs/dbraw/zinc/60/39/92/343603992.db2.gz VRERNZUKHKXKNA-STQMWFEESA-N 1 0 222.376 2.393 10 0 BEAERO Cc1ncc([C@H]2[NH2+]CCc3ccsc32)n1C ZINC000712523676 537789457 /nfs/dbraw/zinc/78/94/57/537789457.db2.gz PMJNMOWSTFJBBW-LLVKDONJSA-N 1 0 233.340 2.025 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(C)C ZINC000086194156 343614346 /nfs/dbraw/zinc/61/43/46/343614346.db2.gz PLTNRVHSFUUKNN-QWHCGFSZSA-N 1 0 210.365 2.201 10 0 BEAERO CC[N@@H+]1CC[C@H](c2cccc3nnccc32)C1 ZINC000616613397 349821490 /nfs/dbraw/zinc/82/14/90/349821490.db2.gz HSDGFQXAUHAAKT-NSHDSACASA-N 1 0 227.311 2.439 10 0 BEAERO Cc1ccc(C[NH3+])c(-n2ccc(C(C)C)n2)n1 ZINC000052884149 178560622 /nfs/dbraw/zinc/56/06/22/178560622.db2.gz PKMRMYJBBCBORY-UHFFFAOYSA-N 1 0 230.315 2.158 10 0 BEAERO Cc1ccc(C[NH3+])c(Sc2nccn2C)c1 ZINC000051581550 178561424 /nfs/dbraw/zinc/56/14/24/178561424.db2.gz GHVDTYJGEJMIFI-UHFFFAOYSA-N 1 0 233.340 2.338 10 0 BEAERO CC[C@@H](NC(=O)C(C)(C)C[NH3+])c1ccccc1 ZINC000051627445 343627312 /nfs/dbraw/zinc/62/73/12/343627312.db2.gz UFUVCHAHZPJHJL-GFCCVEGCSA-N 1 0 234.343 2.239 10 0 BEAERO CC[C@@H](C[NH3+])C(=O)N[C@@H](CC)c1ccccc1 ZINC000051627450 343627523 /nfs/dbraw/zinc/62/75/23/343627523.db2.gz QVMUURRMEHGKDK-AAEUAGOBSA-N 1 0 234.343 2.239 10 0 BEAERO CC(=O)Nc1ccc(C(=O)[C@H](C)C[NH+](C)C)cc1 ZINC000198480989 343671248 /nfs/dbraw/zinc/67/12/48/343671248.db2.gz UQYHQZCJEOICST-SNVBAGLBSA-N 1 0 248.326 2.025 10 0 BEAERO Cc1cc(C)n(-c2ccc(C[C@H](C)[NH3+])cc2)n1 ZINC000044463302 187268824 /nfs/dbraw/zinc/26/88/24/187268824.db2.gz ACEXRUBTIDJZIK-JTQLQIEISA-N 1 0 229.327 2.379 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1cccc(F)c1 ZINC000054685977 343690629 /nfs/dbraw/zinc/69/06/29/343690629.db2.gz RQJBXOAQMIQBTG-LSDHHAIUSA-N 1 0 245.297 2.429 10 0 BEAERO Cc1cnc(SCC[C@H]2CCC[NH2+]C2)nc1 ZINC000051920620 187270874 /nfs/dbraw/zinc/27/08/74/187270874.db2.gz QBBXMBPGRUGGJU-LLVKDONJSA-N 1 0 237.372 2.267 10 0 BEAERO O=C(OCc1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000049829945 187270400 /nfs/dbraw/zinc/27/04/00/187270400.db2.gz BCNWKDINMYPHDZ-NSHDSACASA-N 1 0 239.702 2.135 10 0 BEAERO CC(C)[C@H](C[NH+](C)C)Nc1ccc(F)cc1N ZINC000049194635 187270694 /nfs/dbraw/zinc/27/06/94/187270694.db2.gz YOCQLXFFVSWJIF-ZDUSSCGKSA-N 1 0 239.338 2.406 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](N(C)Cc2ccccc2)C1 ZINC000401832739 343735578 /nfs/dbraw/zinc/73/55/78/343735578.db2.gz JLZZTIWHHRYUPG-TZMCWYRMSA-N 1 0 218.344 2.116 10 0 BEAERO CC(C)CC[C@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309085974 346962939 /nfs/dbraw/zinc/96/29/39/346962939.db2.gz XPQAEFAWUVWSGU-ZDEQEGDKSA-N 1 0 211.349 2.293 10 0 BEAERO C[C@H](C[NH3+])[C@H](O)c1cccc(F)c1Cl ZINC000165552007 343717664 /nfs/dbraw/zinc/71/76/64/343717664.db2.gz GLWMXOKTESOBGA-LDWIPMOCSA-N 1 0 217.671 2.107 10 0 BEAERO CCN(C)c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856497 343729523 /nfs/dbraw/zinc/72/95/23/343729523.db2.gz GYCDQBZTEGHFCQ-UHFFFAOYSA-N 1 0 211.696 2.080 10 0 BEAERO CCOc1ccc(CC[NH2+]C2CC2)cc1 ZINC000055231327 187272516 /nfs/dbraw/zinc/27/25/16/187272516.db2.gz UKAUNPIYKVCLJS-UHFFFAOYSA-N 1 0 205.301 2.380 10 0 BEAERO Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054290363 187272554 /nfs/dbraw/zinc/27/25/54/187272554.db2.gz IUUYMWUXPWNLAX-AWEZNQCLSA-N 1 0 246.354 2.001 10 0 BEAERO CC(C)(C)SCc1ccc(NN)[nH+]c1 ZINC000051150287 346963821 /nfs/dbraw/zinc/96/38/21/346963821.db2.gz XPCKCKUNALQIDO-UHFFFAOYSA-N 1 0 211.334 2.399 10 0 BEAERO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](O)C2)CC(C)(C)C1 ZINC000092901897 343785312 /nfs/dbraw/zinc/78/53/12/343785312.db2.gz BZYBUSBTRXBPGF-UTUOFQBUSA-N 1 0 211.349 2.268 10 0 BEAERO Nc1cc(NCc2ccco2)nc(C2CC2)[nH+]1 ZINC000126884249 343786727 /nfs/dbraw/zinc/78/67/27/343786727.db2.gz YDLVSHUQCAEQOO-UHFFFAOYSA-N 1 0 230.271 2.141 10 0 BEAERO CC(C)(C)c1ccc([C@H]2NC(=O)CC[C@H]2[NH3+])cc1 ZINC000057535791 187272840 /nfs/dbraw/zinc/27/28/40/187272840.db2.gz SNVOUDBQNUBZAJ-TZMCWYRMSA-N 1 0 246.354 2.263 10 0 BEAERO C[C@@H](c1ccncc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093952457 537815445 /nfs/dbraw/zinc/81/54/45/537815445.db2.gz MVMIQTZTLIYTRI-DZGCQCFKSA-N 1 0 245.370 2.313 10 0 BEAERO [NH3+]C[C@@H](Cc1ccco1)CC(F)(F)F ZINC000409427695 343801707 /nfs/dbraw/zinc/80/17/07/343801707.db2.gz XGMWGMCCPUTVAD-ZETCQYMHSA-N 1 0 207.195 2.349 10 0 BEAERO CNc1cc(N2CCC(F)(F)CC2)nc(C)[nH+]1 ZINC000405053001 343812077 /nfs/dbraw/zinc/81/20/77/343812077.db2.gz JAZDWGRXNNOLTC-UHFFFAOYSA-N 1 0 242.273 2.062 10 0 BEAERO CN(C)c1ccc([C@@H]2C[NH2+]C[C@H]2CF)cc1 ZINC000409421973 343812238 /nfs/dbraw/zinc/81/22/38/343812238.db2.gz ARFMLVDSIVEQAW-YPMHNXCESA-N 1 0 222.307 2.025 10 0 BEAERO FC[C@@H]1C[NH2+]C[C@H]1c1ccc(Br)o1 ZINC000409422447 343813959 /nfs/dbraw/zinc/81/39/59/343813959.db2.gz FYUWREHJIJGBCQ-RNFRBKRXSA-N 1 0 248.095 2.315 10 0 BEAERO CC(C)Cc1noc([C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070501626 187274803 /nfs/dbraw/zinc/27/48/03/187274803.db2.gz BWQNVPIDCCZJCR-UWVGGRQHSA-N 1 0 223.320 2.253 10 0 BEAERO [NH3+]Cc1cn(C2CCCCCCC2)nn1 ZINC000409423891 343816459 /nfs/dbraw/zinc/81/64/59/343816459.db2.gz QYYRTJKWVKIVSG-UHFFFAOYSA-N 1 0 208.309 2.022 10 0 BEAERO C[C@@H]1C[C@H](c2ccc3c(c2)CCN3C)C[NH2+]1 ZINC000070586698 187275029 /nfs/dbraw/zinc/27/50/29/187275029.db2.gz ANIRPVXXTYXSKE-MFKMUULPSA-N 1 0 216.328 2.144 10 0 BEAERO C[NH2+]C[C@@H]1[C@@H](c2cccs2)C1(F)F ZINC000409432274 343825621 /nfs/dbraw/zinc/82/56/21/343825621.db2.gz NECQZNUGMPPRGH-SVRRBLITSA-N 1 0 203.257 2.316 10 0 BEAERO Cc1ccc(NC(N)=[NH2+])cc1Br ZINC000070994267 187275584 /nfs/dbraw/zinc/27/55/84/187275584.db2.gz ORLBDTIUTXZBDY-UHFFFAOYSA-N 1 0 228.093 2.063 10 0 BEAERO Cc1nc(NCCC2=CCCCC2)cc(N)[nH+]1 ZINC000409428470 343803541 /nfs/dbraw/zinc/80/35/41/343803541.db2.gz FXBWDISSPOIADP-UHFFFAOYSA-N 1 0 232.331 2.092 10 0 BEAERO C[C@@H]([NH3+])Cc1ccc(CC(=O)OC(C)(C)C)cc1 ZINC000409430204 343807616 /nfs/dbraw/zinc/80/76/16/343807616.db2.gz FZRUXXKZNICOSN-LLVKDONJSA-N 1 0 249.354 2.461 10 0 BEAERO CC(C)(C)[C@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000409433777 343830549 /nfs/dbraw/zinc/83/05/49/343830549.db2.gz STCOZWUYKYDOOB-UONOGXRCSA-N 1 0 232.371 2.492 10 0 BEAERO Cc1cccc([C@@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)c1 ZINC000072415292 187276457 /nfs/dbraw/zinc/27/64/57/187276457.db2.gz UYJLZFGNCCHEGR-WCQYABFASA-N 1 0 227.311 2.448 10 0 BEAERO C[N@@H+]1C[C@@H](CO)C[C@H]1c1ccccc1Cl ZINC000409438923 343846084 /nfs/dbraw/zinc/84/60/84/343846084.db2.gz FACRMOQYPDSYGX-CABZTGNLSA-N 1 0 225.719 2.325 10 0 BEAERO CCc1[nH]nc(-c2cccs2)c1C[NH3+] ZINC000409439678 343847926 /nfs/dbraw/zinc/84/79/26/343847926.db2.gz JNQCGAXWKDVXBM-UHFFFAOYSA-N 1 0 207.302 2.159 10 0 BEAERO CCN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000409440671 343852888 /nfs/dbraw/zinc/85/28/88/343852888.db2.gz LZACQZFRYLFSDK-VHSXEESVSA-N 1 0 228.336 2.123 10 0 BEAERO C[NH2+]C[C@@H](F)CCOCc1ccccc1 ZINC000575623228 343875857 /nfs/dbraw/zinc/87/58/57/343875857.db2.gz AKWLHCWCBMENIF-LBPRGKRZSA-N 1 0 211.280 2.151 10 0 BEAERO C[NH2+]C[C@H](F)CCOCc1ccccc1 ZINC000575623227 343875917 /nfs/dbraw/zinc/87/59/17/343875917.db2.gz AKWLHCWCBMENIF-GFCCVEGCSA-N 1 0 211.280 2.151 10 0 BEAERO C[NH2+]CCCc1cnn(CC=C(C)C)c1 ZINC000575623429 343876104 /nfs/dbraw/zinc/87/61/04/343876104.db2.gz QMWZQPNOLZADQQ-UHFFFAOYSA-N 1 0 207.321 2.001 10 0 BEAERO Cc1ccnc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000328153333 537828331 /nfs/dbraw/zinc/82/83/31/537828331.db2.gz FZKZOOOPLFSJCQ-DZGCQCFKSA-N 1 0 245.370 2.059 10 0 BEAERO NC(=[NH2+])Cn1nc(-c2ccsc2)cc1C1CC1 ZINC000409442401 343857721 /nfs/dbraw/zinc/85/77/21/343857721.db2.gz ZLBFFWFAPLPGGF-UHFFFAOYSA-N 1 0 246.339 2.425 10 0 BEAERO CCn1nc(-c2ccsc2)cc1C[NH2+]C ZINC000409443912 343863456 /nfs/dbraw/zinc/86/34/56/343863456.db2.gz WKTSIPZPPGVKKG-UHFFFAOYSA-N 1 0 221.329 2.351 10 0 BEAERO Cc1ccc(CNC2=[NH+]CCS2)s1 ZINC000050225738 178601002 /nfs/dbraw/zinc/60/10/02/178601002.db2.gz SVTQFUQWTDVSQF-UHFFFAOYSA-N 1 0 212.343 2.249 10 0 BEAERO Cc1cc(C(F)(F)F)nn1C[C@@H]1CCC[NH2+]C1 ZINC000409444027 343863990 /nfs/dbraw/zinc/86/39/90/343863990.db2.gz YZYRNLAYPKTHLH-SECBINFHSA-N 1 0 247.264 2.210 10 0 BEAERO NC(=[NH2+])c1cc(C(F)(F)F)nn1C1CCCC1 ZINC000409443090 343865725 /nfs/dbraw/zinc/86/57/25/343865725.db2.gz GWTSJSYZGQNJFZ-UHFFFAOYSA-N 1 0 246.236 2.301 10 0 BEAERO CC(C)Cn1nc(-c2ccncc2)cc1C[NH3+] ZINC000409444080 343867744 /nfs/dbraw/zinc/86/77/44/343867744.db2.gz ZRRIITLBZCNLDK-UHFFFAOYSA-N 1 0 230.315 2.060 10 0 BEAERO C[NH2+]Cc1cc(C(F)(F)F)nn1CC1CC1 ZINC000409443561 343867788 /nfs/dbraw/zinc/86/77/88/343867788.db2.gz PQKBGKCEAXKCRQ-UHFFFAOYSA-N 1 0 233.237 2.031 10 0 BEAERO CC(=O)Nc1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000075906542 187278772 /nfs/dbraw/zinc/27/87/72/187278772.db2.gz CKVKULWZRWKXMS-ZDUSSCGKSA-N 1 0 232.327 2.454 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000634724594 343938917 /nfs/dbraw/zinc/93/89/17/343938917.db2.gz SWJYQFXRUMFACF-UTUOFQBUSA-N 1 0 209.333 2.212 10 0 BEAERO C[NH2+][C@H]1CCCC[C@@H]1Sc1ncc[nH]1 ZINC000234477177 343974065 /nfs/dbraw/zinc/97/40/65/343974065.db2.gz BWFQPNLSSNEAQA-IUCAKERBSA-N 1 0 211.334 2.032 10 0 BEAERO Cc1cc[nH+]c(N)c1[C@@H]1CCCC(=O)C1 ZINC000070737999 343954804 /nfs/dbraw/zinc/95/48/04/343954804.db2.gz AIJFSHJIHKNBLU-SECBINFHSA-N 1 0 204.273 2.199 10 0 BEAERO Cc1ncsc1CNC1=[NH+]C[C@H](C)S1 ZINC000070837387 343956367 /nfs/dbraw/zinc/95/63/67/343956367.db2.gz CFGLWWGHARFGKH-LURJTMIESA-N 1 0 227.358 2.032 10 0 BEAERO Cc1ccnc(SC(C)C)c1C(N)=[NH2+] ZINC000135185868 343964239 /nfs/dbraw/zinc/96/42/39/343964239.db2.gz KBIQBVNPQXILRL-UHFFFAOYSA-N 1 0 209.318 2.175 10 0 BEAERO C[NH2+][C@@H](C)c1ccoc1Br ZINC000234420855 343965906 /nfs/dbraw/zinc/96/59/06/343965906.db2.gz WVNZNSDRLTXZMJ-YFKPBYRVSA-N 1 0 204.067 2.323 10 0 BEAERO CC(C)c1cncn1-c1cccc(C[NH3+])c1 ZINC000082656155 187282566 /nfs/dbraw/zinc/28/25/66/187282566.db2.gz VECZUZQSAGPARN-UHFFFAOYSA-N 1 0 215.300 2.454 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c(C)c1 ZINC000282419115 178623882 /nfs/dbraw/zinc/62/38/82/178623882.db2.gz QRBRWMXXWLDOAG-GXTWGEPZSA-N 1 0 246.354 2.060 10 0 BEAERO C[N@@H+]1CCC[C@@H](CNOCc2ccccc2)C1 ZINC000083106287 187284708 /nfs/dbraw/zinc/28/47/08/187284708.db2.gz PNHLBOHOGXPOGT-AWEZNQCLSA-N 1 0 234.343 2.050 10 0 BEAERO CC(C)(C)[C@H](C[NH3+])N1Cc2ccccc2C1 ZINC000084535091 187285280 /nfs/dbraw/zinc/28/52/80/187285280.db2.gz VMAKDCNKXDGGGO-ZDUSSCGKSA-N 1 0 218.344 2.376 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c(C)c1 ZINC000282419120 178631161 /nfs/dbraw/zinc/63/11/61/178631161.db2.gz QRBRWMXXWLDOAG-OCCSQVGLSA-N 1 0 246.354 2.060 10 0 BEAERO CC1(C)C[N@H+](C2CCC2)[C@H]1[C@H]1CCCO1 ZINC000335917415 344086329 /nfs/dbraw/zinc/08/63/29/344086329.db2.gz NWZKXCZDGQIQOO-NEPJUHHUSA-N 1 0 209.333 2.428 10 0 BEAERO C[NH2+]Cc1ccc(F)c(F)c1Br ZINC000216941484 344130898 /nfs/dbraw/zinc/13/08/98/344130898.db2.gz UMSKUCNYDJVOJF-UHFFFAOYSA-N 1 0 236.059 2.447 10 0 BEAERO Cc1cc(Cl)nc(Cl)c1NC1C[NH2+]C1 ZINC000235817002 344138661 /nfs/dbraw/zinc/13/86/61/344138661.db2.gz ARHYPMGLPHDURX-UHFFFAOYSA-N 1 0 232.114 2.081 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236628977 187289990 /nfs/dbraw/zinc/28/99/90/187289990.db2.gz XSOQCHPMLGBMFX-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)(CNC(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000236671118 187289999 /nfs/dbraw/zinc/28/99/99/187289999.db2.gz RINWMPNTOQXASZ-LBPRGKRZSA-N 1 0 238.375 2.071 10 0 BEAERO O=C(Nc1ccsc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755413 344211832 /nfs/dbraw/zinc/21/18/32/344211832.db2.gz YNADXOYRVWVZKS-CABZTGNLSA-N 1 0 236.340 2.076 10 0 BEAERO CC(=O)CCn1c(C)[nH+]c2c1CCCC2 ZINC000127351499 344236632 /nfs/dbraw/zinc/23/66/32/344236632.db2.gz XWNOLZVVNHOCON-UHFFFAOYSA-N 1 0 206.289 2.049 10 0 BEAERO CCC(=O)Nc1ccc(C)c(C[NH3+])c1C ZINC000616572422 344183680 /nfs/dbraw/zinc/18/36/80/344183680.db2.gz MLONOXSBCRYJCG-UHFFFAOYSA-N 1 0 206.289 2.111 10 0 BEAERO C/C=C\C(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616573367 344186596 /nfs/dbraw/zinc/18/65/96/344186596.db2.gz XVFZALUYMOBJHZ-PZBKNZOISA-N 1 0 236.359 2.073 10 0 BEAERO C[C@@H](NC(=O)C1CCC1)c1cccc(C[NH3+])c1 ZINC000616574393 344187218 /nfs/dbraw/zinc/18/72/18/344187218.db2.gz ZDEZJELXXGQKTC-SNVBAGLBSA-N 1 0 232.327 2.123 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000127315292 344190856 /nfs/dbraw/zinc/19/08/56/344190856.db2.gz MSHMIEFNHPMPRJ-LDYMZIIASA-N 1 0 238.356 2.288 10 0 BEAERO C[N@H+](C[C@H]1CCCCC1=O)[C@@H]1CCSC1 ZINC000060720110 344198573 /nfs/dbraw/zinc/19/85/73/344198573.db2.gz MDXDUBOBLGZWTO-GHMZBOCLSA-N 1 0 227.373 2.183 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](CC1CC1)CC2 ZINC000220387474 344267699 /nfs/dbraw/zinc/26/76/99/344267699.db2.gz QWOLKQWGBWLPBO-OLZOCXBDSA-N 1 0 209.333 2.023 10 0 BEAERO C[C@H]([NH3+])CSc1ccc(N)c(Cl)c1 ZINC000222946543 344284548 /nfs/dbraw/zinc/28/45/48/344284548.db2.gz KDQJEXJRWUMYCD-LURJTMIESA-N 1 0 216.737 2.362 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN1CCSC(C)(C)C1 ZINC000133340435 344315684 /nfs/dbraw/zinc/31/56/84/344315684.db2.gz FSKZPDRTIOMZIM-LLVKDONJSA-N 1 0 230.421 2.187 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H](C)[C@@H](CO)SC ZINC000133230157 344315695 /nfs/dbraw/zinc/31/56/95/344315695.db2.gz JJSOXVDESNLHMO-GARJFASQSA-N 1 0 219.394 2.125 10 0 BEAERO CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CC[NH2+]C1 ZINC000094080466 344325532 /nfs/dbraw/zinc/32/55/32/344325532.db2.gz OQHIZZXEUSNQAI-QWHCGFSZSA-N 1 0 248.370 2.486 10 0 BEAERO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)c2ccco2)C1 ZINC000158063096 344363704 /nfs/dbraw/zinc/36/37/04/344363704.db2.gz VSHQLNQGZSCENQ-NXEZZACHSA-N 1 0 207.273 2.193 10 0 BEAERO C[C@H]1C[C@H](C(=O)NCC[NH+](C)C)CC(C)(C)C1 ZINC000162145496 133518659 /nfs/dbraw/zinc/51/86/59/133518659.db2.gz YLOIIPFEJBNPJU-RYUDHWBXSA-N 1 0 240.391 2.127 10 0 BEAERO CCC[NH+](CCC)Cc1c(C)nn(C)c1OC ZINC000158052721 323071795 /nfs/dbraw/zinc/07/17/95/323071795.db2.gz JJHLVGLLDKZZPQ-UHFFFAOYSA-N 1 0 239.363 2.359 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH+]1CCCC1 ZINC000145941213 344390211 /nfs/dbraw/zinc/39/02/11/344390211.db2.gz AVFFLDRDOADVGG-LBPRGKRZSA-N 1 0 203.285 2.475 10 0 BEAERO Cc1nnc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)n1C ZINC000249774315 362388504 /nfs/dbraw/zinc/38/85/04/362388504.db2.gz VQQIBAYQQVUOPY-QWHCGFSZSA-N 1 0 248.374 2.278 10 0 BEAERO COc1ccc([C@@H](C)[C@H]2C=CC[NH2+]2)cc1 ZINC000238355170 344415600 /nfs/dbraw/zinc/41/56/00/344415600.db2.gz NPFQNACCVMWMTR-ZWNOBZJWSA-N 1 0 203.285 2.327 10 0 BEAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309615974 344415671 /nfs/dbraw/zinc/41/56/71/344415671.db2.gz NVWGOILUJDPQMY-TUAOUCFPSA-N 1 0 226.364 2.068 10 0 BEAERO CC(C)[C@H](C)[N@H+](C)C1(CN)CCSCC1 ZINC000042335076 187291396 /nfs/dbraw/zinc/29/13/96/187291396.db2.gz WNEPBYUYTPKEJJ-NSHDSACASA-N 1 0 230.421 2.187 10 0 BEAERO [NH3+][C@H]1CCCc2cn(CC(F)F)cc21 ZINC000135476804 344461961 /nfs/dbraw/zinc/46/19/61/344461961.db2.gz IWQRJRXMIBORBV-VIFPVBQESA-N 1 0 200.232 2.089 10 0 BEAERO C[C@@H]1c2ccsc2CCN1CC(C)(C)[NH3+] ZINC000042781809 344466406 /nfs/dbraw/zinc/46/64/06/344466406.db2.gz DBMSCGBWYUAEPM-SECBINFHSA-N 1 0 224.373 2.405 10 0 BEAERO CCCC[C@@H](C)[C@H](C)[NH2+]CCn1cncn1 ZINC000309995436 344492000 /nfs/dbraw/zinc/49/20/00/344492000.db2.gz CAMSSEZGLQZQLB-NEPJUHHUSA-N 1 0 224.352 2.083 10 0 BEAERO COc1ccc(Br)c([C@@H]2C[C@H]2[NH3+])c1 ZINC000234945879 344494154 /nfs/dbraw/zinc/49/41/54/344494154.db2.gz UWIHBCRGOXQXHF-WCBMZHEXSA-N 1 0 242.116 2.272 10 0 BEAERO CCOC(C[C@@H]1CCC[N@H+](C)C1)OCC ZINC000043503190 344524038 /nfs/dbraw/zinc/52/40/38/344524038.db2.gz LGWPJSUFWGBZCR-NSHDSACASA-N 1 0 215.337 2.117 10 0 BEAERO Fc1cc(Cl)ccc1C1(F)CNC1 ZINC000158136033 344550147 /nfs/dbraw/zinc/55/01/47/344550147.db2.gz DLNAFAOETSIFAG-UHFFFAOYSA-N 1 0 203.619 2.247 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)NCCC1CCCC1 ZINC000037740143 344575206 /nfs/dbraw/zinc/57/52/06/344575206.db2.gz HSYBVQAGWHIURL-ZDUSSCGKSA-N 1 0 226.364 2.200 10 0 BEAERO CCC[S@](=O)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000249794897 362415085 /nfs/dbraw/zinc/41/50/85/362415085.db2.gz FBZYXOKWZHNJBZ-RULNRJAQSA-N 1 0 217.378 2.051 10 0 BEAERO CC[C@@](F)(C[NH3+])c1ccc(F)c(F)c1 ZINC000158355572 344614098 /nfs/dbraw/zinc/61/40/98/344614098.db2.gz WIUMNFDZHQRDEA-SNVBAGLBSA-N 1 0 203.207 2.498 10 0 BEAERO CN(C)c1cccc(C[NH3+])c1OC(F)(F)F ZINC000396116517 344606935 /nfs/dbraw/zinc/60/69/35/344606935.db2.gz DAEAFDCGDBVIGZ-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO CN(C)c1ccc(OC(F)(F)F)c(C[NH3+])c1 ZINC000396118141 344607433 /nfs/dbraw/zinc/60/74/33/344607433.db2.gz HBLZARKGXCWCQM-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO CSC[C@@H](C)NC1=[NH+][C@H](C)CCS1 ZINC000127845241 344666907 /nfs/dbraw/zinc/66/69/07/344666907.db2.gz LVIGVVIUUHTQPU-HTQZYQBOSA-N 1 0 218.391 2.209 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000051813219 178695108 /nfs/dbraw/zinc/69/51/08/178695108.db2.gz JQSOMUKPDVZPBV-GXTWGEPZSA-N 1 0 246.354 2.346 10 0 BEAERO CCn1c([C@@H]2CCC[C@@H]([NH3+])C2)nc2cccnc21 ZINC000104317784 187291943 /nfs/dbraw/zinc/29/19/43/187291943.db2.gz PZOGHLGRLOFGIY-GHMZBOCLSA-N 1 0 244.342 2.436 10 0 BEAERO CCc1nccn1-c1ccc(CC[NH3+])cc1C ZINC000104293843 187292392 /nfs/dbraw/zinc/29/23/92/187292392.db2.gz KPWAWFSCTBSCRJ-UHFFFAOYSA-N 1 0 229.327 2.244 10 0 BEAERO Cc1ccc(N(C)C[C@]2(C[NH3+])CCCOC2)cc1 ZINC000104319936 178700601 /nfs/dbraw/zinc/70/06/01/178700601.db2.gz GGXXTVNRNSNBQB-OAHLLOKOSA-N 1 0 248.370 2.187 10 0 BEAERO CC[C@H]1CN(c2ccncc2Cl)CC[C@H]1[NH3+] ZINC000251937711 487535545 /nfs/dbraw/zinc/53/55/45/487535545.db2.gz ZXAYPIRHSRDFIW-GXSJLCMTSA-N 1 0 239.750 2.299 10 0 BEAERO OCc1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000231174062 344737465 /nfs/dbraw/zinc/73/74/65/344737465.db2.gz OKJBXGDIFRKNEB-ZDUSSCGKSA-N 1 0 205.301 2.384 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1CCc1nccs1 ZINC000135529342 344741998 /nfs/dbraw/zinc/74/19/98/344741998.db2.gz IHBMLHHEJOVSLZ-UWVGGRQHSA-N 1 0 210.346 2.321 10 0 BEAERO C[NH2+][C@@H](c1cnns1)C1CCCCC1 ZINC000158661917 344712296 /nfs/dbraw/zinc/71/22/96/344712296.db2.gz MNVPRBDDTVXRAC-SNVBAGLBSA-N 1 0 211.334 2.379 10 0 BEAERO CO[C@]1(C[NH3+])CCc2cc(Cl)ccc21 ZINC000128025454 344715858 /nfs/dbraw/zinc/71/58/58/344715858.db2.gz KKOGKTLUZMQDBP-NSHDSACASA-N 1 0 211.692 2.087 10 0 BEAERO Cc1ccc(NC(=O)N(C)C[C@H](C)C[NH3+])cc1 ZINC000042455511 178730966 /nfs/dbraw/zinc/73/09/66/178730966.db2.gz IMBBQDFRZWLPBU-LLVKDONJSA-N 1 0 235.331 2.054 10 0 BEAERO CSC1(CNC2=[NH+]CCC2)CCCC1 ZINC000235214498 344846779 /nfs/dbraw/zinc/84/67/79/344846779.db2.gz DERSXTIKCAQHMZ-UHFFFAOYSA-N 1 0 212.362 2.444 10 0 BEAERO C[NH+](C)CC[C@@]1(C)NCCc2ccsc21 ZINC000715208984 537868015 /nfs/dbraw/zinc/86/80/15/537868015.db2.gz RBCIBWUOSNVAIA-GFCCVEGCSA-N 1 0 224.373 2.061 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000037090189 534973284 /nfs/dbraw/zinc/97/32/84/534973284.db2.gz RJRLQCAPMHLOHM-STQMWFEESA-N 1 0 248.374 2.080 10 0 BEAERO Cc1ccc(NC2(C[NH3+])CCC(C)CC2)nn1 ZINC000104311404 178757182 /nfs/dbraw/zinc/75/71/82/178757182.db2.gz JOJNTWYLLWHWDW-UHFFFAOYSA-N 1 0 234.347 2.105 10 0 BEAERO C[C@@H]1C[C@@H]1Nc1c(N)c[nH+]cc1Br ZINC000235302041 344879166 /nfs/dbraw/zinc/87/91/66/344879166.db2.gz FWIMBYKGIWHDFY-XRGYYRRGSA-N 1 0 242.120 2.247 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(F)cc1C ZINC000050568792 344879985 /nfs/dbraw/zinc/87/99/85/344879985.db2.gz TVRRLBXSOWJART-LLVKDONJSA-N 1 0 225.263 2.087 10 0 BEAERO CC(C)(C[NH3+])CN1CCc2ccccc21 ZINC000049812990 187293966 /nfs/dbraw/zinc/29/39/66/187293966.db2.gz WMNGODSRMNVOAZ-UHFFFAOYSA-N 1 0 204.317 2.034 10 0 BEAERO CCC[C@H](C(=O)N(C)CCC(C)C)[NH+](C)C ZINC000179465591 537871425 /nfs/dbraw/zinc/87/14/25/537871425.db2.gz FVTCIPQOKHOYSB-GFCCVEGCSA-N 1 0 228.380 2.221 10 0 BEAERO CCN(Cc1ccccc1)C(=O)C(C)(C)[NH2+]C ZINC000061300344 344903393 /nfs/dbraw/zinc/90/33/93/344903393.db2.gz ZKZHKHCPXCCJBP-UHFFFAOYSA-N 1 0 234.343 2.033 10 0 BEAERO O[C@@H](C[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000166492007 344908530 /nfs/dbraw/zinc/90/85/30/344908530.db2.gz TZFTTZHWPUMXBT-UWVGGRQHSA-N 1 0 211.330 2.314 10 0 BEAERO Cc1[nH+]ccc(N2CCC2)c1Br ZINC000667362467 537875187 /nfs/dbraw/zinc/87/51/87/537875187.db2.gz WZGAJXIIMDICAZ-UHFFFAOYSA-N 1 0 227.105 2.363 10 0 BEAERO Brc1cnsc1C[NH2+]CC1CC1 ZINC000667413111 537875439 /nfs/dbraw/zinc/87/54/39/537875439.db2.gz KEBLHLMVHDEXET-UHFFFAOYSA-N 1 0 247.161 2.405 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000130584998 187297323 /nfs/dbraw/zinc/29/73/23/187297323.db2.gz WGNPRVUZGATJCW-KYOSRNDESA-N 1 0 249.354 2.074 10 0 BEAERO COc1ccc([C@H]([NH3+])CCO)c2ccccc12 ZINC000044232346 344988274 /nfs/dbraw/zinc/98/82/74/344988274.db2.gz HWBVVVKZJLWNHO-CYBMUJFWSA-N 1 0 231.295 2.231 10 0 BEAERO [NH3+][C@H](CCO)c1cccc(C(F)(F)F)c1F ZINC000044233018 344988454 /nfs/dbraw/zinc/98/84/54/344988454.db2.gz UCTGVFVBETVPMF-MRVPVSSYSA-N 1 0 237.196 2.227 10 0 BEAERO CCOc1ccc(OC(F)(F)F)cc1C[NH3+] ZINC000044249068 344993450 /nfs/dbraw/zinc/99/34/50/344993450.db2.gz YOHMKKGTUFRFKV-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO CN(C)CC(=O)c1ccc(F)c(Cl)c1 ZINC000238290794 345012886 /nfs/dbraw/zinc/01/28/86/345012886.db2.gz LNNAADADXVGHNG-UHFFFAOYSA-N 1 0 215.655 2.223 10 0 BEAERO [NH3+][C@@H](CCO)c1c(Cl)cccc1Cl ZINC000044396344 345050989 /nfs/dbraw/zinc/05/09/89/345050989.db2.gz RWDWDNMIKIBVGZ-QMMMGPOBSA-N 1 0 220.099 2.376 10 0 BEAERO Cc1cc(CC[NH3+])sc1Br ZINC000044399136 345051442 /nfs/dbraw/zinc/05/14/42/345051442.db2.gz RCUNYZNSEPHSCT-UHFFFAOYSA-N 1 0 220.135 2.320 10 0 BEAERO CC[NH2+][C@H](C)c1cn(Cc2ccc(F)cc2)nn1 ZINC000385653445 345019666 /nfs/dbraw/zinc/01/96/66/345019666.db2.gz BBLGBMYTXAJVGX-SNVBAGLBSA-N 1 0 248.305 2.136 10 0 BEAERO COC[C@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000238356883 345029349 /nfs/dbraw/zinc/02/93/49/345029349.db2.gz HPYUYGRGUHFGRH-ZETCQYMHSA-N 1 0 221.634 2.264 10 0 BEAERO Cn1cccc1[C@H]([NH3+])Cc1ccccc1 ZINC000011848712 345031271 /nfs/dbraw/zinc/03/12/71/345031271.db2.gz SJNNOJRIZZJYRY-GFCCVEGCSA-N 1 0 200.285 2.268 10 0 BEAERO Cc1cc(C)nc(Oc2ccccc2CC[NH3+])n1 ZINC000011849367 345032630 /nfs/dbraw/zinc/03/26/30/345032630.db2.gz MAAMXWUNKKMSQK-UHFFFAOYSA-N 1 0 243.310 2.387 10 0 BEAERO COc1cc2c(cc1Br)[C@@H]([NH3+])CC2 ZINC000238392901 345038268 /nfs/dbraw/zinc/03/82/68/345038268.db2.gz GXKHWXDVLJWSSZ-VIFPVBQESA-N 1 0 242.116 2.404 10 0 BEAERO C([C@H]1CCC2(CCCC2)C[NH2+]1)N1CCCC1 ZINC000667582270 537884335 /nfs/dbraw/zinc/88/43/35/537884335.db2.gz PMZDUQHXEQLVID-CYBMUJFWSA-N 1 0 222.376 2.395 10 0 BEAERO Cc1ccc(Br)c2c1[C@H]([NH3+])CO2 ZINC000238533058 345071161 /nfs/dbraw/zinc/07/11/61/345071161.db2.gz WVZRIHJQUQFGTI-SSDOTTSWSA-N 1 0 228.089 2.150 10 0 BEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCO ZINC000125263929 345073636 /nfs/dbraw/zinc/07/36/36/345073636.db2.gz WPKZFWJFMCZOPB-CYBMUJFWSA-N 1 0 219.328 2.282 10 0 BEAERO Cc1cnccc1[C@@H]([NH3+])CC(F)(F)F ZINC000238545040 345074249 /nfs/dbraw/zinc/07/42/49/345074249.db2.gz WWPLYCJYYJICIA-QMMMGPOBSA-N 1 0 204.195 2.342 10 0 BEAERO Cc1ccc(O[C@@H](C)C2=[NH+]CCN2)c(C)c1 ZINC000027707171 178817567 /nfs/dbraw/zinc/81/75/67/178817567.db2.gz CIPZHMSRWQNFRV-NSHDSACASA-N 1 0 218.300 2.072 10 0 BEAERO C[C@H]([NH3+])Cc1sccc1Br ZINC000044411359 345057416 /nfs/dbraw/zinc/05/74/16/345057416.db2.gz XXPGQCAEWNJZIS-YFKPBYRVSA-N 1 0 220.135 2.400 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000082432804 345060218 /nfs/dbraw/zinc/06/02/18/345060218.db2.gz KZDFSZQRCXODTG-ONGXEEELSA-N 1 0 215.300 2.071 10 0 BEAERO COc1ccc2c(c1)C[C@@H]1[NH2+]CCC[C@@H]1C2 ZINC000212988696 345120564 /nfs/dbraw/zinc/12/05/64/345120564.db2.gz OPFCGLLSLLZRQA-RISCZKNCSA-N 1 0 217.312 2.162 10 0 BEAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000156216385 345140167 /nfs/dbraw/zinc/14/01/67/345140167.db2.gz GGQBJRZBKONRQX-AWEZNQCLSA-N 1 0 248.374 2.017 10 0 BEAERO CC1(C)CN(CCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000226420270 537890441 /nfs/dbraw/zinc/89/04/41/537890441.db2.gz TWZWBLHKIRUPQI-UHFFFAOYSA-N 1 0 240.391 2.018 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)[C@@](C)([NH3+])C2CC2)cc1 ZINC000037765011 178837875 /nfs/dbraw/zinc/83/78/75/178837875.db2.gz BMAMWXWALSUQKP-ABAIWWIYSA-N 1 0 246.354 2.300 10 0 BEAERO CO[C@H](C[NH3+])c1ccc(C)cc1Br ZINC000129813974 345262872 /nfs/dbraw/zinc/26/28/72/345262872.db2.gz MSIDPZZKMIQNFC-SNVBAGLBSA-N 1 0 244.132 2.404 10 0 BEAERO CCO[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000053924347 1172059413 /nfs/dbraw/zinc/05/94/13/1172059413.db2.gz BMIRTLIIOALHQU-MJBXVCDLSA-N 1 0 241.375 2.038 10 0 BEAERO CN1CC2(CC[NH2+]CC2)c2cc(F)cc(F)c21 ZINC000139950285 345301694 /nfs/dbraw/zinc/30/16/94/345301694.db2.gz DSZLRBHVYIPSAJ-UHFFFAOYSA-N 1 0 238.281 2.036 10 0 BEAERO CCc1nnc(CN2CCC[C@H]2c2ccco2)[nH]1 ZINC000158588912 345352873 /nfs/dbraw/zinc/35/28/73/345352873.db2.gz HABMVUJNLOTNSY-JTQLQIEISA-N 1 0 246.314 2.297 10 0 BEAERO Cc1ccc([C@@H](CC[NH3+])C(=O)NCC(C)C)cc1 ZINC000076634109 178855028 /nfs/dbraw/zinc/85/50/28/178855028.db2.gz GVUABVQUUNIXCB-CQSZACIVSA-N 1 0 248.370 2.200 10 0 BEAERO Cc1ccc([C@@H]([NH3+])[C@@H]2CCCOC2)s1 ZINC000062230582 178860273 /nfs/dbraw/zinc/86/02/73/178860273.db2.gz SMYDNXIGQUWOBK-KOLCDFICSA-N 1 0 211.330 2.483 10 0 BEAERO C[C@H](CC[NH3+])Nc1ccc2ccccc2n1 ZINC000134273370 345406795 /nfs/dbraw/zinc/40/67/95/345406795.db2.gz DOKVKMWJRKWKBK-SNVBAGLBSA-N 1 0 215.300 2.384 10 0 BEAERO C[NH2+][C@@H]1CSC[C@@H]1Cc1ccsc1 ZINC000134585584 345415818 /nfs/dbraw/zinc/41/58/18/345415818.db2.gz VPAPMHXFQYPUBC-VHSXEESVSA-N 1 0 213.371 2.242 10 0 BEAERO CCCCN(CC)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159555508 345440421 /nfs/dbraw/zinc/44/04/21/345440421.db2.gz IDLMHXMUGXOHTQ-ZDUSSCGKSA-N 1 0 226.364 2.167 10 0 BEAERO C[NH2+][C@H]1CCCc2cn(C(F)F)cc21 ZINC000135507115 345443445 /nfs/dbraw/zinc/44/34/45/345443445.db2.gz VSDSDZLEVRXYRI-VIFPVBQESA-N 1 0 200.232 2.480 10 0 BEAERO Cc1ccc([C@@H]([NH3+])[C@@H]2CCOC2)cc1C ZINC000048622993 178860173 /nfs/dbraw/zinc/86/01/73/178860173.db2.gz OMXDDAYFRHAQRM-CHWSQXEVSA-N 1 0 205.301 2.340 10 0 BEAERO Cc1ccc([C@@](C)([NH2+]CC2CC2)C(N)=O)c(C)c1 ZINC000037952110 178879734 /nfs/dbraw/zinc/87/97/34/178879734.db2.gz BIWPMUCMDKSEKS-OAHLLOKOSA-N 1 0 246.354 2.004 10 0 BEAERO CCOC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000053884575 1172061641 /nfs/dbraw/zinc/06/16/41/1172061641.db2.gz ARVNRONGICIVHT-TZMCWYRMSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1O ZINC000253258976 345638483 /nfs/dbraw/zinc/63/84/83/345638483.db2.gz HGBZITKGXRUALW-TZMCWYRMSA-N 1 0 237.318 2.419 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])cc1F ZINC000094956318 178885805 /nfs/dbraw/zinc/88/58/05/178885805.db2.gz MYTMOPRWIPTYDE-ZJUUUORDSA-N 1 0 238.306 2.049 10 0 BEAERO c1cc([C@@H]2[NH2+]CCc3sccc32)sn1 ZINC000404452758 537903491 /nfs/dbraw/zinc/90/34/91/537903491.db2.gz JVBUURONCVMEGM-SNVBAGLBSA-N 1 0 222.338 2.440 10 0 BEAERO C[NH2+]Cc1c(C)[nH]nc1-c1cccs1 ZINC000066135257 345696714 /nfs/dbraw/zinc/69/67/14/345696714.db2.gz HISOVSLSKSCJIU-UHFFFAOYSA-N 1 0 207.302 2.166 10 0 BEAERO COc1cc(N)c2nc(C)cc(C)c2c1OC ZINC000032251942 345759210 /nfs/dbraw/zinc/75/92/10/345759210.db2.gz SBVWNKJQWHZWIV-UHFFFAOYSA-N 1 0 232.283 2.451 10 0 BEAERO CCOC(=O)[C@H](CC)C[NH2+]CCc1ccccc1 ZINC000032197203 345745943 /nfs/dbraw/zinc/74/59/43/345745943.db2.gz WWENWQINCNDYFU-CQSZACIVSA-N 1 0 249.354 2.408 10 0 BEAERO Cc1cnc(CC[NH+]2CCCC2)c(C)c1 ZINC000219900656 345745994 /nfs/dbraw/zinc/74/59/94/345745994.db2.gz ONFXZQKTJWOKFF-UHFFFAOYSA-N 1 0 204.317 2.337 10 0 BEAERO Cc1ccc([C@H]([NH3+])[C@@H]2CCCOC2)s1 ZINC000062230581 178908902 /nfs/dbraw/zinc/90/89/02/178908902.db2.gz SMYDNXIGQUWOBK-MWLCHTKSSA-N 1 0 211.330 2.483 10 0 BEAERO COc1ccc([C@@H]2[NH2+]C[C@H](C)S2)cc1 ZINC000033878030 345704561 /nfs/dbraw/zinc/70/45/61/345704561.db2.gz CUYFTBAWLQPXHY-GZMMTYOYSA-N 1 0 209.314 2.419 10 0 BEAERO O=C1Nc2ccccc2[C@H]1C[C@@H]1CCC[NH2+]C1 ZINC000214056541 345711993 /nfs/dbraw/zinc/71/19/93/345711993.db2.gz VLHPOKVWDSCPNN-CMPLNLGQSA-N 1 0 230.311 2.112 10 0 BEAERO [NH3+][C@H]1CCOc2cc(OC(F)(F)F)ccc21 ZINC000147916825 345757476 /nfs/dbraw/zinc/75/74/76/345757476.db2.gz SEOUBRKETCCMIL-QMMMGPOBSA-N 1 0 233.189 2.368 10 0 BEAERO CCOC(=O)/C=C/[C@H](C)[NH2+]C1CCCCC1 ZINC000207525416 345758815 /nfs/dbraw/zinc/75/88/15/345758815.db2.gz IJCOWKWXGHANKV-USKTWTLRSA-N 1 0 225.332 2.417 10 0 BEAERO CCN1CCOC[C@H]1c1ccccc1OC ZINC000221533056 345736800 /nfs/dbraw/zinc/73/68/00/345736800.db2.gz XNHJLVZQTQAVEB-LBPRGKRZSA-N 1 0 221.300 2.088 10 0 BEAERO O=C1CC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C1 ZINC000034234386 345819775 /nfs/dbraw/zinc/81/97/75/345819775.db2.gz AYJFKSDLUFEFNQ-AAEUAGOBSA-N 1 0 233.286 2.347 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1c1noc(-c2cccs2)n1 ZINC000257593116 345780955 /nfs/dbraw/zinc/78/09/55/345780955.db2.gz AFTBGKZVVZUXCY-HTQZYQBOSA-N 1 0 235.312 2.393 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)c(F)c1 ZINC000074001604 537911879 /nfs/dbraw/zinc/91/18/79/537911879.db2.gz KDJJDGQYCDVRRQ-BXKDBHETSA-N 1 0 226.270 2.059 10 0 BEAERO COC(=O)c1ccc([C@H]2CCC[NH2+]2)c(C)c1 ZINC000140272084 345853333 /nfs/dbraw/zinc/85/33/33/345853333.db2.gz CWTHCNXRFXYXDP-GFCCVEGCSA-N 1 0 219.284 2.206 10 0 BEAERO Cc1cc(N2CCOCC2)c2cccc(O)c2[nH+]1 ZINC000140871321 345858585 /nfs/dbraw/zinc/85/85/85/345858585.db2.gz SBDWJVPHAGVHHV-UHFFFAOYSA-N 1 0 244.294 2.085 10 0 BEAERO C[C@@](O)(C[NH3+])c1ccccc1Cc1ccccc1 ZINC000034582208 345832726 /nfs/dbraw/zinc/83/27/26/345832726.db2.gz TVQYYFOLOZYHED-MRXNPFEDSA-N 1 0 241.334 2.444 10 0 BEAERO C[NH+](C)CCC[C@H]1Cc2ccccc2C1=O ZINC000034586263 345834008 /nfs/dbraw/zinc/83/40/08/345834008.db2.gz WXUPJSRQWRDIFJ-LBPRGKRZSA-N 1 0 217.312 2.383 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C)CS1 ZINC000336751524 187310837 /nfs/dbraw/zinc/31/08/37/187310837.db2.gz GKWWSTHGIUVBES-YFKTTZPYSA-N 1 0 229.389 2.284 10 0 BEAERO CC(C)(C[NH3+])[C@@H](O)c1ccsc1Cl ZINC000307037481 537920637 /nfs/dbraw/zinc/92/06/37/537920637.db2.gz YTMGNIUFZSXCLF-ZETCQYMHSA-N 1 0 219.737 2.420 10 0 BEAERO C[C@H]([NH3+])CC(=O)CCCOCc1ccccc1 ZINC000307531557 537922848 /nfs/dbraw/zinc/92/28/48/537922848.db2.gz XPTLCMUWNJWXKH-LBPRGKRZSA-N 1 0 235.327 2.290 10 0 BEAERO CC(C)C[C@@H](NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000091406865 187360977 /nfs/dbraw/zinc/36/09/77/187360977.db2.gz QGAIOTQAKZVSRT-CQSZACIVSA-N 1 0 246.354 2.109 10 0 BEAERO Cc1cc(Cl)nc(Cl)c1NCCC[NH3+] ZINC000235818184 345924767 /nfs/dbraw/zinc/92/47/67/345924767.db2.gz QBUFWOZPTFAQAV-UHFFFAOYSA-N 1 0 234.130 2.458 10 0 BEAERO CC(C)Oc1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856874 345963654 /nfs/dbraw/zinc/96/36/54/345963654.db2.gz RCSMPHFHCXALGZ-UHFFFAOYSA-N 1 0 212.680 2.411 10 0 BEAERO CC(C)CCNc1cc(N)[nH+]c(C2CC2)n1 ZINC000087908998 345940211 /nfs/dbraw/zinc/94/02/11/345940211.db2.gz LQPNDQFHPDCJEO-UHFFFAOYSA-N 1 0 220.320 2.394 10 0 BEAERO CCCCN(CC)c1cc(NC)[nH+]c(C)n1 ZINC000087800887 345941158 /nfs/dbraw/zinc/94/11/58/345941158.db2.gz HWLWLKXVAVOURR-UHFFFAOYSA-N 1 0 222.336 2.453 10 0 BEAERO Cc1nc(N[C@@H]2CCCC[C@@H]2C)cc(N)[nH+]1 ZINC000087808215 345941872 /nfs/dbraw/zinc/94/18/72/345941872.db2.gz QYJBYPDUTCEYJY-WCBMZHEXSA-N 1 0 220.320 2.358 10 0 BEAERO CNc1cc(NCCC(C)C)nc(C)[nH+]1 ZINC000087808023 345942012 /nfs/dbraw/zinc/94/20/12/345942012.db2.gz CZMOSZHLRVJOLV-UHFFFAOYSA-N 1 0 208.309 2.285 10 0 BEAERO C[C@]1(N(O)/C=C2/C=CC=[NH+]2)CCCCC1=O ZINC000136163230 345948420 /nfs/dbraw/zinc/94/84/20/345948420.db2.gz LZUXUZZJGHPSST-PRDAAYKISA-N 1 0 220.272 2.061 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH3+])CC1(CCOCC1)O2 ZINC000019219300 178955113 /nfs/dbraw/zinc/95/51/13/178955113.db2.gz HVKDPZWGHHLWJR-GFCCVEGCSA-N 1 0 233.311 2.327 10 0 BEAERO CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648653 345991003 /nfs/dbraw/zinc/99/10/03/345991003.db2.gz LLBUBVWGIBFGNJ-FDYHWXHSSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(N)cc(Cl)c1 ZINC000148031484 346032353 /nfs/dbraw/zinc/03/23/53/346032353.db2.gz FDVANGJZRUXAGM-CPCISQLKSA-N 1 0 210.708 2.420 10 0 BEAERO CO[C@@H]1CCc2cccc([C@@H](C)C[NH3+])c2C1 ZINC000148523477 346036530 /nfs/dbraw/zinc/03/65/30/346036530.db2.gz VHRHMUHVBFVMHE-CMPLNLGQSA-N 1 0 219.328 2.253 10 0 BEAERO CC1(C)CCc2nc(CC[NH3+])sc2C1 ZINC000070623190 537947089 /nfs/dbraw/zinc/94/70/89/537947089.db2.gz BOVFONCNNZPVMR-UHFFFAOYSA-N 1 0 210.346 2.159 10 0 BEAERO C[C@@H]1CC[C@@H](C)[C@@H](n2cnc(C[NH3+])c2)C1 ZINC000669375219 537953391 /nfs/dbraw/zinc/95/33/91/537953391.db2.gz VOABZTQMTFYKNN-FOGDFJRCSA-N 1 0 207.321 2.339 10 0 BEAERO CC(C)([NH3+])C(=O)Cc1ccccc1Cl ZINC000136388199 346206862 /nfs/dbraw/zinc/20/68/62/346206862.db2.gz ZECRODLCRZBLCU-UHFFFAOYSA-N 1 0 211.692 2.189 10 0 BEAERO C[C@H](c1ccc(Cl)cc1)N(C)C(N)=[NH2+] ZINC000062013039 346190856 /nfs/dbraw/zinc/19/08/56/346190856.db2.gz DPZXGEBPIJKHDJ-SSDOTTSWSA-N 1 0 211.696 2.226 10 0 BEAERO Cc1c(Cl)cccc1NC1=[NH+]CCN1 ZINC000034180997 346216985 /nfs/dbraw/zinc/21/69/85/346216985.db2.gz VLRFJKYCIZGLAI-UHFFFAOYSA-N 1 0 209.680 2.020 10 0 BEAERO [NH3+][C@H]1C[C@]12CCc1c2cccc1Br ZINC000236320577 346224708 /nfs/dbraw/zinc/22/47/08/346224708.db2.gz FHPYTRUVDKROCY-QWRGUYRKSA-N 1 0 238.128 2.364 10 0 BEAERO [NH3+][C@H]1CCCCC[C@H]1Sc1ncc[nH]1 ZINC000236317022 346224729 /nfs/dbraw/zinc/22/47/29/346224729.db2.gz UURBEXCYBFWJKY-DTWKUNHWSA-N 1 0 211.334 2.162 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000381520528 346240207 /nfs/dbraw/zinc/24/02/07/346240207.db2.gz MOIZHMCIBNBOCA-HBNTYKKESA-N 1 0 233.302 2.315 10 0 BEAERO Nc1ccc(SC2CCC([NH3+])CC2)nc1 ZINC000055143848 187318075 /nfs/dbraw/zinc/31/80/75/187318075.db2.gz YQMZRRDEPMIADR-UHFFFAOYSA-N 1 0 223.345 2.026 10 0 BEAERO CCN(C)c1nc(C)c([C@@H](C)[NH2+]C)s1 ZINC000054902195 187318548 /nfs/dbraw/zinc/31/85/48/187318548.db2.gz DMJMOASDNLPSEK-SSDOTTSWSA-N 1 0 213.350 2.188 10 0 BEAERO Cc1cccc(C(=O)NC[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000062036679 179018709 /nfs/dbraw/zinc/01/87/09/179018709.db2.gz HZSNHEUOAGGKIY-CHWSQXEVSA-N 1 0 246.354 2.113 10 0 BEAERO CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000005650442 346295749 /nfs/dbraw/zinc/29/57/49/346295749.db2.gz QPNOCGKQRUGZAP-SNVBAGLBSA-N 1 0 211.692 2.253 10 0 BEAERO CC[C@@H](CSC)[NH2+]Cc1ncnn1C(C)C ZINC000217329786 346299210 /nfs/dbraw/zinc/29/92/10/346299210.db2.gz IRXIROIMAXLEJI-JTQLQIEISA-N 1 0 242.392 2.090 10 0 BEAERO Cc1cccc(C)c1-c1nnc(CCC[NH3+])o1 ZINC000083358278 179029295 /nfs/dbraw/zinc/02/92/95/179029295.db2.gz YQYJVVGHPFMKMG-UHFFFAOYSA-N 1 0 231.299 2.245 10 0 BEAERO Cc1cccc(C)c1C[C@@H](C)C1=[NH+]CCN1 ZINC000027656318 179038453 /nfs/dbraw/zinc/03/84/53/179038453.db2.gz IWPRDDXJQGBONK-GFCCVEGCSA-N 1 0 216.328 2.484 10 0 BEAERO O[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000381553178 346334861 /nfs/dbraw/zinc/33/48/61/346334861.db2.gz NNSZCHMOVFQAMB-LPWJVIDDSA-N 1 0 229.339 2.408 10 0 BEAERO Cc1cccc(C)c1OC[C@@H]1CCC[NH2+]1 ZINC000020221587 179047430 /nfs/dbraw/zinc/04/74/30/179047430.db2.gz XZFVUFDPZHMEKY-LBPRGKRZSA-N 1 0 205.301 2.434 10 0 BEAERO Cc1cccc(C2(C[NH3+])CCC(O)CC2)c1 ZINC000020443369 179050820 /nfs/dbraw/zinc/05/08/20/179050820.db2.gz GGSMXQSYKLWVNN-UHFFFAOYSA-N 1 0 219.328 2.126 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000641767290 362700608 /nfs/dbraw/zinc/70/06/08/362700608.db2.gz YORIECPHHUNQCQ-IMRBUKKESA-N 1 0 234.343 2.436 10 0 BEAERO OCC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000161581820 346338756 /nfs/dbraw/zinc/33/87/56/346338756.db2.gz AUZSEVZDWOTDKX-ZDUSSCGKSA-N 1 0 211.349 2.271 10 0 BEAERO Cc1cccc(CC[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000051669079 179060205 /nfs/dbraw/zinc/06/02/05/179060205.db2.gz CAFQTTNWJHXKFL-MRXNPFEDSA-N 1 0 244.382 2.221 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CC1 ZINC000641790182 362725091 /nfs/dbraw/zinc/72/50/91/362725091.db2.gz UYKVQCNBNLONJY-AGIUHOORSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1nc(C[NH3+])sc1-c1ccnc(C)c1 ZINC000669379303 537978250 /nfs/dbraw/zinc/97/82/50/537978250.db2.gz BHIDPRZXKVBUSA-UHFFFAOYSA-N 1 0 219.313 2.281 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)c1F ZINC000294995222 179097789 /nfs/dbraw/zinc/09/77/89/179097789.db2.gz HHOPLOZDPDVGMC-CMPLNLGQSA-N 1 0 223.291 2.401 10 0 BEAERO C[C@H]1Oc2c(c(F)ccc2Br)[C@H]1[NH3+] ZINC000160407530 346452421 /nfs/dbraw/zinc/45/24/21/346452421.db2.gz YUBQFJXFSKVORU-VHWMUFPASA-N 1 0 246.079 2.369 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1C(C)(C)C ZINC000725241768 537980944 /nfs/dbraw/zinc/98/09/44/537980944.db2.gz PHZBDKVALWOEDK-NXEZZACHSA-N 1 0 227.348 2.210 10 0 BEAERO CC1(C)C[N@H+](C[C@@H]2Cc3ccccc32)C[C@@H]1O ZINC000334271236 346457800 /nfs/dbraw/zinc/45/78/00/346457800.db2.gz GSNKFUUTGKPPNF-JSGCOSHPSA-N 1 0 231.339 2.029 10 0 BEAERO Cc1cccc(C[NH2+]CCCn2ccnn2)c1C ZINC000126437780 179091696 /nfs/dbraw/zinc/09/16/96/179091696.db2.gz ADIKEHRZWZDONN-UHFFFAOYSA-N 1 0 244.342 2.075 10 0 BEAERO Cc1ncc(C[NH2+]Cc2cccc(C)c2)[nH]1 ZINC000054798428 179094426 /nfs/dbraw/zinc/09/44/26/179094426.db2.gz RFPILEYIECDJNV-UHFFFAOYSA-N 1 0 215.300 2.316 10 0 BEAERO Cc1cccc(C[NH2+]Cc2ccncn2)c1 ZINC000054788783 179095516 /nfs/dbraw/zinc/09/55/16/179095516.db2.gz OTKYISFBDAZYAU-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000262593435 535049733 /nfs/dbraw/zinc/04/97/33/535049733.db2.gz VREHTBHPBFBHMP-RYUDHWBXSA-N 1 0 238.375 2.008 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1C ZINC000282306758 179098559 /nfs/dbraw/zinc/09/85/59/179098559.db2.gz KDKVXTSZOKWQMB-TZMCWYRMSA-N 1 0 246.354 2.060 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2CCO[C@H]2C)c1F ZINC000294995225 179101034 /nfs/dbraw/zinc/10/10/34/179101034.db2.gz HHOPLOZDPDVGMC-JQWIXIFHSA-N 1 0 223.291 2.401 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1C ZINC000282306750 179101337 /nfs/dbraw/zinc/10/13/37/179101337.db2.gz KDKVXTSZOKWQMB-JSGCOSHPSA-N 1 0 246.354 2.060 10 0 BEAERO Cc1cccc(C[C@H]2CSCC[NH2+]2)c1 ZINC000071510904 179105420 /nfs/dbraw/zinc/10/54/20/179105420.db2.gz HNDRMDLJOFSDBZ-LBPRGKRZSA-N 1 0 207.342 2.243 10 0 BEAERO Cc1cccc(C[C@H]([NH3+])C[C@H]2CCCO2)c1 ZINC000037466741 179105529 /nfs/dbraw/zinc/10/55/29/179105529.db2.gz PEHKPUUGPNGBHG-UONOGXRCSA-N 1 0 219.328 2.434 10 0 BEAERO Cc1cccc(C[C@H]2CSC[C@@H]2[NH3+])c1 ZINC000098099608 179106308 /nfs/dbraw/zinc/10/63/08/179106308.db2.gz IHTMGNPLJGQRNP-RYUDHWBXSA-N 1 0 207.342 2.228 10 0 BEAERO Fc1cccc2c1[C@@H]([NH2+]CC1CC1)CO2 ZINC000374674328 346543315 /nfs/dbraw/zinc/54/33/15/346543315.db2.gz CACINCQCSYVFIW-JTQLQIEISA-N 1 0 207.248 2.259 10 0 BEAERO C1CC([C@H]2COCC[N@@H+](C3CCC3)C2)C1 ZINC000336516482 187369317 /nfs/dbraw/zinc/36/93/17/187369317.db2.gz FTDVVPQOGGGFFI-GFCCVEGCSA-N 1 0 209.333 2.287 10 0 BEAERO Cc1nn(Cc2cccc(C)c2)c(C)c1CC[NH3+] ZINC000054740926 179109005 /nfs/dbraw/zinc/10/90/05/179109005.db2.gz KBRFNIXOJCWUNB-UHFFFAOYSA-N 1 0 243.354 2.358 10 0 BEAERO Cc1cccc(N2CCC[NH2+]CCC2)c1C ZINC000049665151 179121472 /nfs/dbraw/zinc/12/14/72/179121472.db2.gz VDIOESIJDQVJLV-UHFFFAOYSA-N 1 0 218.344 2.493 10 0 BEAERO Cc1cccc(N2CCC[C@H]2CC[NH3+])c1 ZINC000082380092 179122795 /nfs/dbraw/zinc/12/27/95/179122795.db2.gz ORZACYJDJPLERI-LBPRGKRZSA-N 1 0 204.317 2.313 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1ccc(Br)cc1 ZINC000164023613 346587020 /nfs/dbraw/zinc/58/70/20/346587020.db2.gz MKAZFJATWQHEHT-SSDOTTSWSA-N 1 0 242.116 2.369 10 0 BEAERO C[C@H]([NH3+])C[C@@H](O)c1cccc(Br)c1 ZINC000164166564 346594167 /nfs/dbraw/zinc/59/41/67/346594167.db2.gz FBCYDXXZESUMPF-OIBJUYFYSA-N 1 0 244.132 2.220 10 0 BEAERO Cc1cccc(NC(=O)C[NH2+]C2CCC2)c1 ZINC000052210470 179127928 /nfs/dbraw/zinc/12/79/28/179127928.db2.gz ALNYFYYKDLGYHQ-UHFFFAOYSA-N 1 0 218.300 2.076 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])Cc1nccs1 ZINC000164528008 346608207 /nfs/dbraw/zinc/60/82/07/346608207.db2.gz IQUUKLPYQDTPJD-SSDOTTSWSA-N 1 0 225.342 2.151 10 0 BEAERO [NH3+][C@H](c1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000034505577 346657859 /nfs/dbraw/zinc/65/78/59/346657859.db2.gz ATWURDULSBRNEK-LSDHHAIUSA-N 1 0 227.307 2.290 10 0 BEAERO CNc1cccc(N[C@@H](C)CSC)[nH+]1 ZINC000128308416 346670725 /nfs/dbraw/zinc/67/07/25/346670725.db2.gz ZEJMJIXPXPPCFW-QMMMGPOBSA-N 1 0 211.334 2.287 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1C ZINC000104223886 179139405 /nfs/dbraw/zinc/13/94/05/179139405.db2.gz ZWWUFGBGWKRPMO-CMPLNLGQSA-N 1 0 232.327 2.097 10 0 BEAERO COCCC[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000178681289 346707813 /nfs/dbraw/zinc/70/78/13/346707813.db2.gz FBARFKMJNCKNTR-UONOGXRCSA-N 1 0 244.423 2.367 10 0 BEAERO CCC(CC)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242533 537985084 /nfs/dbraw/zinc/98/50/84/537985084.db2.gz CKGSGTKILWNUBR-NSHDSACASA-N 1 0 207.321 2.043 10 0 BEAERO Cc1cccc(NC(=O)[C@](C)([NH3+])C2CC2)c1 ZINC000037478832 179141663 /nfs/dbraw/zinc/14/16/63/179141663.db2.gz NIGPXTSKVFLEBM-CYBMUJFWSA-N 1 0 218.300 2.061 10 0 BEAERO CC(C)CC(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675055124 537985403 /nfs/dbraw/zinc/98/54/03/537985403.db2.gz NMACHCBIAZEFQR-UHFFFAOYSA-N 1 0 238.375 2.166 10 0 BEAERO Cc1cccc(OCCO[C@@H](C)C[NH3+])c1C ZINC000074527838 179169459 /nfs/dbraw/zinc/16/94/59/179169459.db2.gz WRDFBJFHCYCMGI-NSHDSACASA-N 1 0 223.316 2.046 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000378663280 346798464 /nfs/dbraw/zinc/79/84/64/346798464.db2.gz BAOUMAKRZSBJQF-QNWHQSFQSA-N 1 0 210.365 2.247 10 0 BEAERO Cc1cccc(OCC[C@](C)(C[NH3+])N(C)C)c1 ZINC000019667654 179169360 /nfs/dbraw/zinc/16/93/60/179169360.db2.gz LDQHQVICIPLZSP-CQSZACIVSA-N 1 0 236.359 2.043 10 0 BEAERO C[NH+](C)[C@H]1[C@H]2CC[C@H](C[C@H]2O)[C@@H]1c1ccccc1 ZINC000038765363 347164183 /nfs/dbraw/zinc/16/41/83/347164183.db2.gz WSESHWZVUAAHCK-LEOABGAYSA-N 1 0 245.366 2.491 10 0 BEAERO CCN1CC[N@H+](CC)[C@H](c2ccccc2)C1 ZINC000019366322 347212244 /nfs/dbraw/zinc/21/22/44/347212244.db2.gz GKSICERYUXFYML-AWEZNQCLSA-N 1 0 218.344 2.385 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])n2cc(Cl)cn2)c1 ZINC000042967817 179184474 /nfs/dbraw/zinc/18/44/74/179184474.db2.gz LAOPCDRTFISHKC-GFCCVEGCSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1cccc([C@@H](CN)[N@H+]2CCC[C@@H]2C)c1 ZINC000037910421 179184876 /nfs/dbraw/zinc/18/48/76/179184876.db2.gz AXVDIQUVRUZWFX-GXTWGEPZSA-N 1 0 218.344 2.479 10 0 BEAERO CCCC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000019282127 168566863 /nfs/dbraw/zinc/56/68/63/168566863.db2.gz IIEYFBRRQOIKJY-SECBINFHSA-N 1 0 206.289 2.445 10 0 BEAERO CC[NH+](CC)CCNc1ccc(N)cc1OC ZINC000039151005 347178265 /nfs/dbraw/zinc/17/82/65/347178265.db2.gz BBSXHLXEFNERMQ-UHFFFAOYSA-N 1 0 237.347 2.031 10 0 BEAERO C[NH+]1CCC2(COc3cc4c(cc32)NCC4)CC1 ZINC000039151408 347181372 /nfs/dbraw/zinc/18/13/72/347181372.db2.gz FSMAYISEEYGVRG-UHFFFAOYSA-N 1 0 244.338 2.010 10 0 BEAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282443828 179196862 /nfs/dbraw/zinc/19/68/62/179196862.db2.gz SBKATQWJQKWORV-SGMGOOAPSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1cccc([C@@H](O)[C@@H]([NH3+])CC(C)C)c1 ZINC000054929466 179188383 /nfs/dbraw/zinc/18/83/83/179188383.db2.gz PWAIGLAHCUMNNR-QWHCGFSZSA-N 1 0 207.317 2.402 10 0 BEAERO Cc1cccc([C@@H]([C@@H](C)N)[NH+]2CCCC2)c1 ZINC000042965333 179188582 /nfs/dbraw/zinc/18/85/82/179188582.db2.gz UUKCLRCTMQHDLJ-TZMCWYRMSA-N 1 0 218.344 2.479 10 0 BEAERO Cc1cccc([C@@](O)([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784497 179191746 /nfs/dbraw/zinc/19/17/46/179191746.db2.gz CNHOSQVSNPCTLU-SCZZXKLOSA-N 1 0 233.233 2.092 10 0 BEAERO CCCC[C@H](CC)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000310141058 347237409 /nfs/dbraw/zinc/23/74/09/347237409.db2.gz NBDMMKRYQWZJHV-IHRRRGAJSA-N 1 0 243.391 2.284 10 0 BEAERO CCCC[C@H](CC)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000310141059 347237433 /nfs/dbraw/zinc/23/74/33/347237433.db2.gz NBDMMKRYQWZJHV-MELADBBJSA-N 1 0 243.391 2.284 10 0 BEAERO Cc1cccc([C@H](OC[C@@H]2CCOC2)[C@@H](C)[NH3+])c1 ZINC000042969472 179204296 /nfs/dbraw/zinc/20/42/96/179204296.db2.gz ULDXXXDOZYAQGM-UMVBOHGHSA-N 1 0 249.354 2.436 10 0 BEAERO Cc1cccc([C@](O)(C[NH3+])C(F)(F)F)c1C ZINC000062784584 179205000 /nfs/dbraw/zinc/20/50/00/179205000.db2.gz KCGMXFSRQCOMFS-SNVBAGLBSA-N 1 0 233.233 2.012 10 0 BEAERO CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)CS1 ZINC000382371246 347294533 /nfs/dbraw/zinc/29/45/33/347294533.db2.gz GKWWSTHGIUVBES-DDHJBXDOSA-N 1 0 229.389 2.284 10 0 BEAERO CC(C)[C@@](C)(O)C[N@@H+]1CCCC2(CC2)C1 ZINC000187567856 347258816 /nfs/dbraw/zinc/25/88/16/347258816.db2.gz ZOYGZCPXRFABJP-LBPRGKRZSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282443802 179198072 /nfs/dbraw/zinc/19/80/72/179198072.db2.gz SBKATQWJQKWORV-OBJOEFQTSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1cccc([C@H](CN)[N@H+]2CCC[C@@H]2C)c1 ZINC000037910422 179198293 /nfs/dbraw/zinc/19/82/93/179198293.db2.gz AXVDIQUVRUZWFX-JSGCOSHPSA-N 1 0 218.344 2.479 10 0 BEAERO Cc1cccc([C@H](C[NH3+])OCC2CCOCC2)c1 ZINC000052149145 179198432 /nfs/dbraw/zinc/19/84/32/179198432.db2.gz XTMBULKIADRLJS-HNNXBMFYSA-N 1 0 249.354 2.438 10 0 BEAERO Cc1cccc([C@H](C[NH3+])OC[C@@H]2CCOC2)c1 ZINC000042969466 179198937 /nfs/dbraw/zinc/19/89/37/179198937.db2.gz GTMMXBDUKQKZMJ-OCCSQVGLSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1cccc([C@H]([NH3+])c2cnn(C)c2)c1C ZINC000034957672 179200898 /nfs/dbraw/zinc/20/08/98/179200898.db2.gz YEKFTSDOGUQZOO-CYBMUJFWSA-N 1 0 215.300 2.085 10 0 BEAERO Cc1cccc([C@H](O)[C@H]([NH3+])CC(C)C)c1 ZINC000054929463 179201855 /nfs/dbraw/zinc/20/18/55/179201855.db2.gz PWAIGLAHCUMNNR-OLZOCXBDSA-N 1 0 207.317 2.402 10 0 BEAERO CN1CC[C@H]([NH3+])[C@H]1c1ccccc1Cl ZINC000250567354 362810925 /nfs/dbraw/zinc/81/09/25/362810925.db2.gz DMDITPVFHVVNOB-WDEREUQCSA-N 1 0 210.708 2.044 10 0 BEAERO Cc1cnn([C@H](c2cccc(C)c2)[C@@H](C)[NH3+])c1 ZINC000042967810 179203116 /nfs/dbraw/zinc/20/31/16/179203116.db2.gz SRFPDOLTCGESBQ-OCCSQVGLSA-N 1 0 229.327 2.437 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000343528693 136740674 /nfs/dbraw/zinc/74/06/74/136740674.db2.gz BBLUSJHDYLWYBV-ITGHMWBKSA-N 1 0 241.375 2.347 10 0 BEAERO O=C1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000725242899 537988878 /nfs/dbraw/zinc/98/88/78/537988878.db2.gz VPNAONJKRBXQBL-GFCCVEGCSA-N 1 0 221.325 2.232 10 0 BEAERO Cc1cccc2c3c([nH]c21)CC[C@H]([NH3+])C3 ZINC000071477430 179225908 /nfs/dbraw/zinc/22/59/08/179225908.db2.gz PVOOLUROQJSJBP-VIFPVBQESA-N 1 0 200.285 2.292 10 0 BEAERO CC[NH2+]C1(c2cn(C(C)(C)C)nn2)CCC1 ZINC000616568646 347450379 /nfs/dbraw/zinc/45/03/79/347450379.db2.gz DGBQGYPVSFXHRU-UHFFFAOYSA-N 1 0 222.336 2.022 10 0 BEAERO Cc1oc(-c2ccccc2C)nc1C[NH3+] ZINC000021634610 179238622 /nfs/dbraw/zinc/23/86/22/179238622.db2.gz KOARUWRZUVKAHI-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO Cc1ccccc1-c1c[nH]c([C@H](C)[NH3+])n1 ZINC000036872193 179236292 /nfs/dbraw/zinc/23/62/92/179236292.db2.gz WREZJOXWAGWJLS-VIFPVBQESA-N 1 0 201.273 2.405 10 0 BEAERO Cc1ccccc1-c1nc(C(C)(C)[NH3+])no1 ZINC000041052853 179236306 /nfs/dbraw/zinc/23/63/06/179236306.db2.gz XJMWOEJGPFXOPV-UHFFFAOYSA-N 1 0 217.272 2.239 10 0 BEAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCCCC1 ZINC000616568335 347446794 /nfs/dbraw/zinc/44/67/94/347446794.db2.gz ATMWQHRGNJXOCW-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO CCC[C@@H]1[NH2+][C@H](C)CC[S@@](=O)[C@H]1CC ZINC000251173315 362842601 /nfs/dbraw/zinc/84/26/01/362842601.db2.gz QCGOZGXXPYFGFN-YAMSLAJTSA-N 1 0 217.378 2.064 10 0 BEAERO c1ccc(CN2CCC[C@@]3(C2)[NH2+]CCS3)cc1 ZINC000159130271 347479803 /nfs/dbraw/zinc/47/98/03/347479803.db2.gz SQKCAGTYUGSRQB-CQSZACIVSA-N 1 0 248.395 2.315 10 0 BEAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]1CO ZINC000380126773 365892974 /nfs/dbraw/zinc/89/29/74/365892974.db2.gz RYIYAFXOKROTNV-HRDYMLBCSA-N 1 0 225.254 2.078 10 0 BEAERO C[NH2+]Cc1csc([C@@H]2CC[C@@H](C)O2)n1 ZINC000149939579 347570611 /nfs/dbraw/zinc/57/06/11/347570611.db2.gz WRJISYHYEIFNPA-APPZFPTMSA-N 1 0 212.318 2.103 10 0 BEAERO Cc1ccccc1CC1(C[NH3+])CCOCC1 ZINC000061673945 179260714 /nfs/dbraw/zinc/26/07/14/179260714.db2.gz OUEMOHWGYLQEFK-UHFFFAOYSA-N 1 0 219.328 2.293 10 0 BEAERO Cc1ccccc1CCC[NH2+]CCN(C)C ZINC000041234439 179261302 /nfs/dbraw/zinc/26/13/02/179261302.db2.gz XZDFSNHZCNMSQX-UHFFFAOYSA-N 1 0 220.360 2.079 10 0 BEAERO Cc1ccccc1CN(C)c1cc(C[NH3+])ccn1 ZINC000036791903 179271434 /nfs/dbraw/zinc/27/14/34/179271434.db2.gz SUXPUVDIDWDLNR-UHFFFAOYSA-N 1 0 241.338 2.485 10 0 BEAERO Cc1ccccc1CN1CC[NH2+][C@H](C)CC1 ZINC000049662207 179272990 /nfs/dbraw/zinc/27/29/90/179272990.db2.gz GYUAJUNIKWOQQX-CYBMUJFWSA-N 1 0 218.344 2.179 10 0 BEAERO Cc1ccccc1CN1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000019801243 179276701 /nfs/dbraw/zinc/27/67/01/179276701.db2.gz YYUOOAZKRLEQSS-STQMWFEESA-N 1 0 218.344 2.177 10 0 BEAERO Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000048265960 179280158 /nfs/dbraw/zinc/28/01/58/179280158.db2.gz KSYZTDQFWIHRIZ-OCCSQVGLSA-N 1 0 246.354 2.142 10 0 BEAERO Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037164468 179284035 /nfs/dbraw/zinc/28/40/35/179284035.db2.gz NONDEQQDPZZXGJ-UONOGXRCSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000038005610 179283009 /nfs/dbraw/zinc/28/30/09/179283009.db2.gz IQWXVVVEPDOVCN-UHFFFAOYSA-N 1 0 201.273 2.008 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@@H]([N@@H+]2CCNC[C@@H]2C)C1 ZINC000669380835 537992298 /nfs/dbraw/zinc/99/22/98/537992298.db2.gz XVXUGSXOPUEMDE-VOAKCMCISA-N 1 0 210.365 2.105 10 0 BEAERO Cc1ccccc1N(C)C[C@@]1(C[NH3+])CCCOC1 ZINC000104323156 179294307 /nfs/dbraw/zinc/29/43/07/179294307.db2.gz WHNBXUGHXRENEJ-HNNXBMFYSA-N 1 0 248.370 2.187 10 0 BEAERO Cc1ccccc1N(CCC[NH3+])C(=O)C(C)C ZINC000020232460 179295638 /nfs/dbraw/zinc/29/56/38/179295638.db2.gz BRMFQMWMHORXOI-UHFFFAOYSA-N 1 0 234.343 2.333 10 0 BEAERO Cc1ccccc1N1CCC[NH2+]CCC1 ZINC000049665575 179296087 /nfs/dbraw/zinc/29/60/87/179296087.db2.gz CEWRUOBQZOJXHR-UHFFFAOYSA-N 1 0 204.317 2.185 10 0 BEAERO Cc1ccccc1Cn1cc(C[C@@H](C)[NH3+])cn1 ZINC000054741355 179292882 /nfs/dbraw/zinc/29/28/82/179292882.db2.gz PQWXMFKCKYSHHL-GFCCVEGCSA-N 1 0 229.327 2.130 10 0 BEAERO Cc1ccccc1NC(=O)[C@@](C)([NH3+])C1CC1 ZINC000037478839 179301425 /nfs/dbraw/zinc/30/14/25/179301425.db2.gz CUZBYFUMAAXMDV-ZDUSSCGKSA-N 1 0 218.300 2.061 10 0 BEAERO Cc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000019439670 179302219 /nfs/dbraw/zinc/30/22/19/179302219.db2.gz SUHYMVVYTIPOSB-DGCLKSJQSA-N 1 0 232.327 2.464 10 0 BEAERO Cc1ccccc1NC(=O)[C@H]([NH3+])C(C)(C)C ZINC000077488094 179302343 /nfs/dbraw/zinc/30/23/43/179302343.db2.gz ZFYQEURKABSGRJ-NSHDSACASA-N 1 0 220.316 2.307 10 0 BEAERO Cc1ccccc1NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019435337 179303070 /nfs/dbraw/zinc/30/30/70/179303070.db2.gz PPLMSTITAAIYEB-NEPJUHHUSA-N 1 0 232.327 2.322 10 0 BEAERO CCOP(=O)(C[C@H]1CCC[NH2+]1)OCC ZINC000308580445 347874760 /nfs/dbraw/zinc/87/47/60/347874760.db2.gz JKZNJTVJBOTYTK-SECBINFHSA-N 1 0 221.237 2.005 10 0 BEAERO Cc1ccccc1Oc1ncccc1C(N)=[NH2+] ZINC000019511744 179314655 /nfs/dbraw/zinc/31/46/55/179314655.db2.gz FHYQPFPHQIVOBL-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])COC[C@H]1CCCO1 ZINC000019394065 179325331 /nfs/dbraw/zinc/32/53/31/179325331.db2.gz VOBDFOVCKJPFBK-OCCSQVGLSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1ccccc1[C@@H](O)C[NH+]1CCCC1 ZINC000019784863 179325808 /nfs/dbraw/zinc/32/58/08/179325808.db2.gz GULIVXAOHWMVQM-ZDUSSCGKSA-N 1 0 205.301 2.124 10 0 BEAERO Cc1ccc([C@H](O)[C@H]2CCC[NH2+]C2)s1 ZINC000036906299 347970852 /nfs/dbraw/zinc/97/08/52/347970852.db2.gz OHODNLGMFPXFDU-GXSJLCMTSA-N 1 0 211.330 2.090 10 0 BEAERO Cc1nccn1[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043037735 179328653 /nfs/dbraw/zinc/32/86/53/179328653.db2.gz FAKCYUYFGZZVQF-SMDDNHRTSA-N 1 0 229.327 2.437 10 0 BEAERO C[C@H]1CCC[C@@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725244067 537995782 /nfs/dbraw/zinc/99/57/82/537995782.db2.gz DIBYWEZACOEDRX-GXFFZTMASA-N 1 0 227.348 2.483 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000037163633 348027749 /nfs/dbraw/zinc/02/77/49/348027749.db2.gz PPAXWXOMQOPXMH-GHMZBOCLSA-N 1 0 225.357 2.450 10 0 BEAERO CC1CCN(C[C@@H]2C[C@@H](C)C[C@H](C)[NH2+]2)CC1 ZINC000669381534 537997495 /nfs/dbraw/zinc/99/74/95/537997495.db2.gz NKOBGUZTAKNETR-IHRRRGAJSA-N 1 0 224.392 2.495 10 0 BEAERO CCS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616570568 348069296 /nfs/dbraw/zinc/06/92/96/348069296.db2.gz SSOQTNAFSAOHGZ-SCSAIBSYSA-N 1 0 223.210 2.264 10 0 BEAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](C)C(C)(C)C ZINC000616570713 348071290 /nfs/dbraw/zinc/07/12/90/348071290.db2.gz OCRWEWGEGLOWNZ-QJPTWQEYSA-N 1 0 240.391 2.173 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CN(C)C1CC1 ZINC000037081027 179343487 /nfs/dbraw/zinc/34/34/87/179343487.db2.gz XGRYIZUESXAFEY-CYBMUJFWSA-N 1 0 204.317 2.089 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CN1C[C@@H](C)O[C@@H](C)C1 ZINC000023069421 179343928 /nfs/dbraw/zinc/34/39/28/179343928.db2.gz UEYBYDANMMMVHK-VNHYZAJKSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1ccccc1[C@H](O)[C@H]1CCCC[NH2+]1 ZINC000041213735 179345028 /nfs/dbraw/zinc/34/50/28/179345028.db2.gz MWLFTQBITNMDIO-OLZOCXBDSA-N 1 0 205.301 2.171 10 0 BEAERO Cc1ccccc1[C@H](Sc1nc[nH]n1)[C@@H](C)[NH3+] ZINC000043040755 179345836 /nfs/dbraw/zinc/34/58/36/179345836.db2.gz LKHNALAGVJEMPM-MWLCHTKSSA-N 1 0 248.355 2.294 10 0 BEAERO Cc1nc(-c2ncccc2C)sc1C[NH3+] ZINC000052330040 179355845 /nfs/dbraw/zinc/35/58/45/179355845.db2.gz SUKLAWRKHZSWRC-UHFFFAOYSA-N 1 0 219.313 2.281 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])C[C@@H]2CC[C@@H](C2)C1 ZINC000725244350 537997306 /nfs/dbraw/zinc/99/73/06/537997306.db2.gz HTJAVCSWYYLCQA-GNXNZQSNSA-N 1 0 239.359 2.483 10 0 BEAERO Cc1ccccc1[C@H]1Cc2c(cnn2C)[C@@H]([NH3+])C1 ZINC000072415869 179351083 /nfs/dbraw/zinc/35/10/83/179351083.db2.gz SJZRKNKVKYHUAE-RISCZKNCSA-N 1 0 241.338 2.458 10 0 BEAERO Cc1ccccc1[C@](C)(O)C[NH2+]C(C)C ZINC000055033089 179351302 /nfs/dbraw/zinc/35/13/02/179351302.db2.gz DFZWNXKMEKBJMJ-CYBMUJFWSA-N 1 0 207.317 2.201 10 0 BEAERO C[C@H]1CCCN(c2nc(C[NH3+])ccc2Cl)C1 ZINC000669381918 537998282 /nfs/dbraw/zinc/99/82/82/537998282.db2.gz ADFZGSGSJKUDQT-VIFPVBQESA-N 1 0 239.750 2.430 10 0 BEAERO Cc1cccn2c(N)c(C3CCOCC3)[nH+]c12 ZINC000104364343 179354648 /nfs/dbraw/zinc/35/46/48/179354648.db2.gz GRGGWYHLTNGLGS-UHFFFAOYSA-N 1 0 231.299 2.119 10 0 BEAERO CSCC1CCC([NH2+]C2CC(CO)C2)CC1 ZINC000595104715 348196969 /nfs/dbraw/zinc/19/69/69/348196969.db2.gz SJAHMZMWSAXBHG-UHFFFAOYSA-N 1 0 243.416 2.269 10 0 BEAERO CC[C@@]1(C(=O)OCc2ccccc2)CC[NH2+]C1 ZINC000062920202 348208325 /nfs/dbraw/zinc/20/83/25/348208325.db2.gz RVYDGBNBZJVLDV-CQSZACIVSA-N 1 0 233.311 2.120 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CCCCC[C@H]1C ZINC000251311694 362862415 /nfs/dbraw/zinc/86/24/15/362862415.db2.gz SYKTTWHMVXGPFQ-NXEZZACHSA-N 1 0 214.378 2.316 10 0 BEAERO Cc1cccnc1C[NH2+]Cc1cc[nH]c1 ZINC000080774070 179383094 /nfs/dbraw/zinc/38/30/94/179383094.db2.gz UQKUENODCVUAFO-UHFFFAOYSA-N 1 0 201.273 2.008 10 0 BEAERO Cc1cccnc1CNCC[C@H]1CCCC[N@H+]1C ZINC000071340135 179383221 /nfs/dbraw/zinc/38/32/21/179383221.db2.gz ASKVRENCCULRHP-CQSZACIVSA-N 1 0 247.386 2.354 10 0 BEAERO Cc1cccnc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000051041268 179395815 /nfs/dbraw/zinc/39/58/15/179395815.db2.gz DFYQRGLTAARHAP-WDEREUQCSA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cccnc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000051041291 179395849 /nfs/dbraw/zinc/39/58/49/179395849.db2.gz SANSQQDBIASHKE-RYUDHWBXSA-N 1 0 219.332 2.190 10 0 BEAERO Cc1cccnc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000019812116 179393691 /nfs/dbraw/zinc/39/36/91/179393691.db2.gz KOSUYIKCOTTWPB-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO Cc1cccnc1[C@@H]([NH3+])CC1CCOCC1 ZINC000060700663 179398421 /nfs/dbraw/zinc/39/84/21/179398421.db2.gz HGEFLZSHLDJFHQ-LBPRGKRZSA-N 1 0 220.316 2.207 10 0 BEAERO Cc1ccn(-c2cc(Cl)ccc2C[NH3+])n1 ZINC000062787098 179398974 /nfs/dbraw/zinc/39/89/74/179398974.db2.gz IUXIDQCHDOXLOJ-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO Cc1ccn(-c2ccc(F)cc2[C@H](C)[NH3+])n1 ZINC000052884405 179399189 /nfs/dbraw/zinc/39/91/89/179399189.db2.gz LAULOINZKZEMRE-VIFPVBQESA-N 1 0 219.263 2.340 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2cccnn2)C1 ZINC000616613608 349984266 /nfs/dbraw/zinc/98/42/66/349984266.db2.gz MMKRVJIMRIQEMZ-JTQLQIEISA-N 1 0 205.305 2.064 10 0 BEAERO C[C@H]([NH3+])[C@@H]1CCN(c2nccc3ccccc32)C1 ZINC000162195826 362899346 /nfs/dbraw/zinc/89/93/46/362899346.db2.gz DQHUKOJCUHJLQD-WCQYABFASA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)C2=O)C1 ZINC000251701605 362899953 /nfs/dbraw/zinc/89/99/53/362899953.db2.gz ODLJUZYOGJJHAK-GHMZBOCLSA-N 1 0 209.333 2.334 10 0 BEAERO CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218874521 259402470 /nfs/dbraw/zinc/40/24/70/259402470.db2.gz ACQNEANOMBZIEG-QWRGUYRKSA-N 1 0 242.363 2.241 10 0 BEAERO Cc1ccn(CC[NH2+][C@@H]2CCCC[C@@H]2C)c(=O)c1 ZINC000061909826 179410639 /nfs/dbraw/zinc/41/06/39/179410639.db2.gz AXNCVOVMPPIJRT-UONOGXRCSA-N 1 0 248.370 2.325 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)C[NH2+]C(C)C)cc1 ZINC000037389739 348404142 /nfs/dbraw/zinc/40/41/42/348404142.db2.gz ONEZTDMETDNHHY-LBPRGKRZSA-N 1 0 248.370 2.424 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2CCCC23CC3)cnn1C ZINC000623824402 348513339 /nfs/dbraw/zinc/51/33/39/348513339.db2.gz DGMXBERZSJONIR-CYBMUJFWSA-N 1 0 233.359 2.398 10 0 BEAERO Cc1ccsc1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000062234469 179554003 /nfs/dbraw/zinc/55/40/03/179554003.db2.gz LSDOPHKEKFGIBC-ZJUUUORDSA-N 1 0 211.330 2.483 10 0 BEAERO Cc1cnc(C[NH2+][C@H](C)C2(C)CC2)cn1 ZINC000061320421 179609935 /nfs/dbraw/zinc/60/99/35/179609935.db2.gz PHTGAGJWLXRPDC-SNVBAGLBSA-N 1 0 205.305 2.063 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000308826353 348759015 /nfs/dbraw/zinc/75/90/15/348759015.db2.gz DSSHYHPKBXMDJL-GZMMTYOYSA-N 1 0 201.273 2.061 10 0 BEAERO [NH3+][C@H]1C[C@@]12CNc1ccc(C(F)(F)F)cc12 ZINC000725247689 538013143 /nfs/dbraw/zinc/01/31/43/538013143.db2.gz USPJSFCLUODZPH-UWVGGRQHSA-N 1 0 228.217 2.100 10 0 BEAERO Cc1ccc(Cl)c2c1[C@@]1(C[C@H]1[NH3+])CN2 ZINC000725247602 538013791 /nfs/dbraw/zinc/01/37/91/538013791.db2.gz RVHRZLXDSIDEQA-KCJUWKMLSA-N 1 0 208.692 2.043 10 0 BEAERO Cc1cc2c(c(Cl)c1)NC[C@@]21C[C@@H]1[NH3+] ZINC000725247658 538014022 /nfs/dbraw/zinc/01/40/22/538014022.db2.gz UBMJZBUCFKWSTC-ONGXEEELSA-N 1 0 208.692 2.043 10 0 BEAERO Cc1nc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)sc1C ZINC000399244904 323201488 /nfs/dbraw/zinc/20/14/88/323201488.db2.gz NGFHETBMUMBLGN-KWQFWETISA-N 1 0 240.372 2.105 10 0 BEAERO CC(C)CN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000054307865 348974196 /nfs/dbraw/zinc/97/41/96/348974196.db2.gz VFZQYQXXGFVIMA-LBPRGKRZSA-N 1 0 238.375 2.023 10 0 BEAERO CCCN(CC1CC1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306231 348978947 /nfs/dbraw/zinc/97/89/47/348978947.db2.gz LNPCGORSSODURL-ZDUSSCGKSA-N 1 0 238.375 2.025 10 0 BEAERO CC(C)CC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306152 348979176 /nfs/dbraw/zinc/97/91/76/348979176.db2.gz BVCMVDIWKWQPHI-OLZOCXBDSA-N 1 0 240.391 2.317 10 0 BEAERO CN(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054289997 348961644 /nfs/dbraw/zinc/96/16/44/348961644.db2.gz OXYLMFQJYLRKRR-AWEZNQCLSA-N 1 0 246.354 2.035 10 0 BEAERO CN(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054289998 348961818 /nfs/dbraw/zinc/96/18/18/348961818.db2.gz OXYLMFQJYLRKRR-CQSZACIVSA-N 1 0 246.354 2.035 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(F)cc1 ZINC000054290255 348962105 /nfs/dbraw/zinc/96/21/05/348962105.db2.gz UAFPYBUDBUVEOC-SNVBAGLBSA-N 1 0 236.290 2.154 10 0 BEAERO CCC[C@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290909 348962843 /nfs/dbraw/zinc/96/28/43/348962843.db2.gz JKCIPIIAQFBTNB-RYUDHWBXSA-N 1 0 226.364 2.023 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054290765 348962859 /nfs/dbraw/zinc/96/28/59/348962859.db2.gz YOXHIUJIPIYHAR-AGIUHOORSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1cnn([C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])c1 ZINC000042915926 179748675 /nfs/dbraw/zinc/74/86/75/179748675.db2.gz AVZKAUXHEVAZDB-MFKMUULPSA-N 1 0 233.290 2.267 10 0 BEAERO Cc1cnn([C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000042902824 179747702 /nfs/dbraw/zinc/74/77/02/179747702.db2.gz HXLXKWQPTDDOMA-AAEUAGOBSA-N 1 0 215.300 2.128 10 0 BEAERO CC(C)CC(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616574405 349077760 /nfs/dbraw/zinc/07/77/60/349077760.db2.gz ZJPHWCWVCRFIPM-LLVKDONJSA-N 1 0 234.343 2.369 10 0 BEAERO [NH3+]Cc1ncccc1NC(=O)C1CCCCC1 ZINC000616574426 349079017 /nfs/dbraw/zinc/07/90/17/349079017.db2.gz ZQRCUEFNIKKMFJ-UHFFFAOYSA-N 1 0 233.315 2.059 10 0 BEAERO CCC[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000082917914 349082980 /nfs/dbraw/zinc/08/29/80/349082980.db2.gz DNQXICUIHJSVPX-GXTWGEPZSA-N 1 0 219.328 2.282 10 0 BEAERO CCC(C)(C)[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616575791 349094444 /nfs/dbraw/zinc/09/44/44/349094444.db2.gz DJFPMSSUBPPWSU-LBPRGKRZSA-N 1 0 222.376 2.391 10 0 BEAERO CC(C)C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)C ZINC000616572128 349065025 /nfs/dbraw/zinc/06/50/25/349065025.db2.gz VGAKHKNYVHDWKE-RYUDHWBXSA-N 1 0 240.391 2.173 10 0 BEAERO CC(C)C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)C ZINC000616572126 349065156 /nfs/dbraw/zinc/06/51/56/349065156.db2.gz VGAKHKNYVHDWKE-NEPJUHHUSA-N 1 0 240.391 2.173 10 0 BEAERO CC(C)=CC(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616572006 349065203 /nfs/dbraw/zinc/06/52/03/349065203.db2.gz JKUHEXPARMHOOQ-NSHDSACASA-N 1 0 232.327 2.289 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@H](CC)[C@@H]([NH3+])C1 ZINC000616572135 349065333 /nfs/dbraw/zinc/06/53/33/349065333.db2.gz VJXXHCOSSBILCL-SRVKXCTJSA-N 1 0 226.364 2.008 10 0 BEAERO COC(=O)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000599281361 349139522 /nfs/dbraw/zinc/13/95/22/349139522.db2.gz IPCIJPUQQHMYJF-GFCCVEGCSA-N 1 0 239.359 2.308 10 0 BEAERO COC(=O)CCCC[NH2+]C1(C(C)C)CC1 ZINC000599427652 349186024 /nfs/dbraw/zinc/18/60/24/349186024.db2.gz BLJUOOWRXRCGKG-UHFFFAOYSA-N 1 0 213.321 2.108 10 0 BEAERO O[C@H]1CCC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000599516514 349205202 /nfs/dbraw/zinc/20/52/02/349205202.db2.gz HSABMUJLFBWOIL-RYUDHWBXSA-N 1 0 242.322 2.372 10 0 BEAERO CC[C@@H](C)c1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253376 538037507 /nfs/dbraw/zinc/03/75/07/538037507.db2.gz JRVUMDZGUVFQLS-BDAKNGLRSA-N 1 0 207.321 2.270 10 0 BEAERO Cn1c(C(C)(C)C)nc2c1[C@@H]([NH3+])CCC2 ZINC000725253509 538037655 /nfs/dbraw/zinc/03/76/55/538037655.db2.gz OPKCWYXSBFKLBI-QMMMGPOBSA-N 1 0 207.321 2.054 10 0 BEAERO [NH3+]Cc1noc2ccc(Br)cc21 ZINC000020221761 349253558 /nfs/dbraw/zinc/25/35/58/349253558.db2.gz YQPBSHZZRACKMN-UHFFFAOYSA-N 1 0 227.061 2.049 10 0 BEAERO C[C@]1(COc2ccccc2)C[C@@H]2C[NH2+]CC[C@@H]2O1 ZINC000616580257 349256099 /nfs/dbraw/zinc/25/60/99/349256099.db2.gz VTMHIZPXAVXKBW-VHDGCEQUSA-N 1 0 247.338 2.223 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(CC)C1 ZINC000388620857 349275918 /nfs/dbraw/zinc/27/59/18/349275918.db2.gz HCWNRHXJBMQZQL-UPJWGTAASA-N 1 0 210.365 2.249 10 0 BEAERO [NH3+]Cc1nsc2cc(F)c(F)cc21 ZINC000725254071 538042865 /nfs/dbraw/zinc/04/28/65/538042865.db2.gz FOBUNCVDSYVGRU-UHFFFAOYSA-N 1 0 200.213 2.033 10 0 BEAERO CC(C)C[C@@](C)([NH2+]C1CCCCC1)C(N)=O ZINC000037969700 190992125 /nfs/dbraw/zinc/99/21/25/190992125.db2.gz RCOYEHHEAKKUHR-CYBMUJFWSA-N 1 0 226.364 2.199 10 0 BEAERO c1ccc([C@@H]2CCCCN2C2C[NH2+]C2)cc1 ZINC000397003733 350034406 /nfs/dbraw/zinc/03/44/06/350034406.db2.gz PXSAUIJISLCQKV-AWEZNQCLSA-N 1 0 216.328 2.185 10 0 BEAERO Cc1nc(CNC2=[NH+][C@H](C)CS2)cs1 ZINC000049534303 179968247 /nfs/dbraw/zinc/96/82/47/179968247.db2.gz SBVQZIQSYQFILY-ZCFIWIBFSA-N 1 0 227.358 2.032 10 0 BEAERO Cc1nc(C[C@H]([NH3+])c2cccnc2)sc1C ZINC000036279593 179984467 /nfs/dbraw/zinc/98/44/67/179984467.db2.gz HEOJHTJKLVPFHE-NSHDSACASA-N 1 0 233.340 2.397 10 0 BEAERO Cc1nc(N(C)C2CC2)sc1[C@H](C)[NH3+] ZINC000054895000 179996487 /nfs/dbraw/zinc/99/64/87/179996487.db2.gz MGLWUSSANDZEMD-LURJTMIESA-N 1 0 211.334 2.070 10 0 BEAERO C[C@H]([NH3+])C[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000218377371 350090821 /nfs/dbraw/zinc/09/08/21/350090821.db2.gz DPMQFMFRISKJTM-DCAQKATOSA-N 1 0 215.362 2.026 10 0 BEAERO Cc1nc(NCC2CC[NH2+]CC2)cc(C(C)C)n1 ZINC000045954797 180017886 /nfs/dbraw/zinc/01/78/86/180017886.db2.gz XRCMJGKSSDVLBG-UHFFFAOYSA-N 1 0 248.374 2.320 10 0 BEAERO Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000335577373 180021587 /nfs/dbraw/zinc/02/15/87/180021587.db2.gz DGCNQAUFIXHJHS-NXEZZACHSA-N 1 0 225.361 2.442 10 0 BEAERO Cc1nc(N[C@@H]2CC[C@H](C[NH3+])C2)sc1C ZINC000335577388 180024531 /nfs/dbraw/zinc/02/45/31/180024531.db2.gz DJWRALHNIFJYOC-VHSXEESVSA-N 1 0 225.361 2.299 10 0 BEAERO COc1ccc(CO[C@H]2CCC[NH2+]C2)cc1F ZINC000051787265 350114980 /nfs/dbraw/zinc/11/49/80/350114980.db2.gz DWFWGGBKRADPOV-NSHDSACASA-N 1 0 239.290 2.103 10 0 BEAERO Cc1nc([C@@]2([NH3+])C[C@@H](C)CC(C)(C)C2)no1 ZINC000036762415 180046567 /nfs/dbraw/zinc/04/65/67/180046567.db2.gz QRCKZJUMXYBVQZ-QPUJVOFHSA-N 1 0 223.320 2.378 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cs1 ZINC000134061433 180051434 /nfs/dbraw/zinc/05/14/34/180051434.db2.gz MMFUUHVDEIOXLC-QXFUBDJGSA-N 1 0 226.345 2.280 10 0 BEAERO C[C@H](c1ccccc1)[C@H]([NH3+])c1ncccn1 ZINC000725255290 538051075 /nfs/dbraw/zinc/05/10/75/538051075.db2.gz YRACVUZZXYMIFW-PWSUYJOCSA-N 1 0 213.284 2.280 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000132520745 191032582 /nfs/dbraw/zinc/03/25/82/191032582.db2.gz DBOSAVJNYGEVON-AAEUAGOBSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H](CC[NH2+]C1CCC(C)CC1)[S@@](C)=O ZINC000132560202 191034483 /nfs/dbraw/zinc/03/44/83/191034483.db2.gz PZPUPDGPTBQCNR-HMILFGGKSA-N 1 0 231.405 2.312 10 0 BEAERO CCc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)o1 ZINC000132574653 191034534 /nfs/dbraw/zinc/03/45/34/191034534.db2.gz GKZPVOWZSOTYOO-QFYYESIMSA-N 1 0 243.372 2.089 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)C1 ZINC000132561454 191034568 /nfs/dbraw/zinc/03/45/68/191034568.db2.gz BFZVAEUPDPCVQE-MCYUEQNJSA-N 1 0 231.405 2.312 10 0 BEAERO Cc1ccc(COC[C@H]2CCC[NH2+]2)cc1 ZINC000051816503 350136454 /nfs/dbraw/zinc/13/64/54/350136454.db2.gz CMEPFQSVHHGTSJ-CYBMUJFWSA-N 1 0 205.301 2.264 10 0 BEAERO C[C@@H](C[NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000083021606 538062560 /nfs/dbraw/zinc/06/25/60/538062560.db2.gz HOQPOWQDHWWGMD-OIBJUYFYSA-N 1 0 244.132 2.077 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000133059716 191036140 /nfs/dbraw/zinc/03/61/40/191036140.db2.gz IJILVFAXLKUUSO-RYUDHWBXSA-N 1 0 211.349 2.317 10 0 BEAERO OCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC000133068150 191036925 /nfs/dbraw/zinc/03/69/25/191036925.db2.gz KPGPQQARSZWMFP-UHFFFAOYSA-N 1 0 211.349 2.319 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CC1)C1CCCC1 ZINC000133150407 191037816 /nfs/dbraw/zinc/03/78/16/191037816.db2.gz NKMIGYCRVUDHBH-LLVKDONJSA-N 1 0 211.349 2.317 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC2(CCO)CC2)o1 ZINC000133152332 191038055 /nfs/dbraw/zinc/03/80/55/191038055.db2.gz HBLQCGWUZRGSAC-NSHDSACASA-N 1 0 223.316 2.401 10 0 BEAERO CCOC[C@@H](C)[NH2+]CCCCSC ZINC000133690244 191041191 /nfs/dbraw/zinc/04/11/91/191041191.db2.gz SZIHNDDLIUGIDB-SNVBAGLBSA-N 1 0 205.367 2.144 10 0 BEAERO Cc1nc2ccccc2n1CCCC(N)=[NH2+] ZINC000019482368 180103260 /nfs/dbraw/zinc/10/32/60/180103260.db2.gz FIUPJPJMCNYFBP-UHFFFAOYSA-N 1 0 216.288 2.061 10 0 BEAERO Cc1nc2ccccc2n1CCCCC(N)=[NH2+] ZINC000049579826 180103305 /nfs/dbraw/zinc/10/33/05/180103305.db2.gz RMSMAAJGUYQHBI-UHFFFAOYSA-N 1 0 230.315 2.451 10 0 BEAERO Cc1nc2ccccc2n1[C@@H](C)[C@@H](C)[NH3+] ZINC000041053914 180104399 /nfs/dbraw/zinc/10/43/99/180104399.db2.gz VDNQPTKYTAJBDP-BDAKNGLRSA-N 1 0 203.289 2.253 10 0 BEAERO Cc1nc2ccccc2nc1N[C@H]1CCC[C@@H]1[NH3+] ZINC000063177234 180105294 /nfs/dbraw/zinc/10/52/94/180105294.db2.gz UVBIFFAXCLCHTH-QWRGUYRKSA-N 1 0 242.326 2.230 10 0 BEAERO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2CO)s1 ZINC000152331157 180156257 /nfs/dbraw/zinc/15/62/57/180156257.db2.gz FLVOIHYEGWSQFE-CMPLNLGQSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1ncc(CNc2cc[nH+]cc2N)s1 ZINC000040997394 180160855 /nfs/dbraw/zinc/16/08/55/180160855.db2.gz FODCBSUMWWLRLZ-UHFFFAOYSA-N 1 0 220.301 2.041 10 0 BEAERO [NH3+][C@@H](C(=O)NCC1CCCCC1)c1ccccc1 ZINC000037259856 191069080 /nfs/dbraw/zinc/06/90/80/191069080.db2.gz QLSJXSHGJBNYBQ-CQSZACIVSA-N 1 0 246.354 2.383 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@H]2C[C@H]2C)c(C)n1 ZINC000252714366 180174424 /nfs/dbraw/zinc/17/44/24/180174424.db2.gz RUYQTIZAUDVDSE-FDOIEUKUSA-N 1 0 205.305 2.152 10 0 BEAERO Cc1ncc(CNC2=[NH+][C@@H](C)CS2)s1 ZINC000049534278 180150016 /nfs/dbraw/zinc/15/00/16/180150016.db2.gz QSXJPHDZDMLPCF-LURJTMIESA-N 1 0 227.358 2.032 10 0 BEAERO C[C@H](C[NH3+])CNc1cccc(C(F)(F)F)n1 ZINC000083387514 350191404 /nfs/dbraw/zinc/19/14/04/350191404.db2.gz BYWGCYDNACCJPE-SSDOTTSWSA-N 1 0 233.237 2.107 10 0 BEAERO Cc1nccc(C[NH2+][C@H](C)c2ccc(O)cc2)n1 ZINC000038037356 180191108 /nfs/dbraw/zinc/19/11/08/180191108.db2.gz VSIITGZJEZQEJP-SNVBAGLBSA-N 1 0 243.310 2.341 10 0 BEAERO CCC[C@H]1CCCC[C@H]1[NH2+]CCN(C)C ZINC000309237491 350216267 /nfs/dbraw/zinc/21/62/67/350216267.db2.gz XTQGMOUBYATGCW-QWHCGFSZSA-N 1 0 212.381 2.497 10 0 BEAERO Cc1nccc(Oc2cccc(C[NH3+])c2)n1 ZINC000054937309 180206906 /nfs/dbraw/zinc/20/69/06/180206906.db2.gz YXEXOXGIJUAVBZ-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1nccc(Oc2ccc(C[NH3+])cc2)n1 ZINC000054937311 180208341 /nfs/dbraw/zinc/20/83/41/180208341.db2.gz NSOXSGMKAXLFJW-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1nccc(C[NH2+]C2(C)CCCC2)n1 ZINC000054790834 180188376 /nfs/dbraw/zinc/18/83/76/180188376.db2.gz QLDBTKLOOPHHMA-UHFFFAOYSA-N 1 0 205.305 2.207 10 0 BEAERO Cc1nccc(C[NH2+]CCC(C)(C)C)n1 ZINC000038037864 180189190 /nfs/dbraw/zinc/18/91/90/180189190.db2.gz NHABFTKEENKHBM-UHFFFAOYSA-N 1 0 207.321 2.311 10 0 BEAERO Cc1nccc(C[NH2+]C[C@@H]2CC=CCC2)n1 ZINC000037997776 180189388 /nfs/dbraw/zinc/18/93/88/180189388.db2.gz WJULZOIGPMEYGM-GFCCVEGCSA-N 1 0 217.316 2.231 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1c1noc(C2CCCC2)n1 ZINC000074044790 350236417 /nfs/dbraw/zinc/23/64/17/350236417.db2.gz JJFHXKWOVXQTPB-NXEZZACHSA-N 1 0 221.304 2.322 10 0 BEAERO Cc1ccccc1-c1cc(C[NH3+])nc(C)n1 ZINC000074141479 350238561 /nfs/dbraw/zinc/23/85/61/350238561.db2.gz JYUCGUGGVFJOCJ-UHFFFAOYSA-N 1 0 213.284 2.219 10 0 BEAERO COc1ccc([C@@]2(C[NH3+])C[C@@H](F)C2)cc1 ZINC000725258863 538078067 /nfs/dbraw/zinc/07/80/67/538078067.db2.gz AIKKFCUWGHCVHL-KLPPZKSPSA-N 1 0 209.264 2.024 10 0 BEAERO [NH3+]C[C@@]1(c2ccc(F)c(F)c2)C[C@H](F)C1 ZINC000725259051 538078719 /nfs/dbraw/zinc/07/87/19/538078719.db2.gz VKFOMXPHRFEYHJ-DKTWLAJQSA-N 1 0 215.218 2.293 10 0 BEAERO COC1(OC)C[C@H](C)C[C@@H](C)[C@@H]1CC[NH3+] ZINC000725261710 538086694 /nfs/dbraw/zinc/08/66/94/538086694.db2.gz DFIDKDFLQWADKD-MXWKQRLJSA-N 1 0 215.337 2.007 10 0 BEAERO C=Cc1cncc(C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000725262151 538087688 /nfs/dbraw/zinc/08/76/88/538087688.db2.gz YVYDCTNSRYGEPP-LLVKDONJSA-N 1 0 217.316 2.004 10 0 BEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000178293891 180267811 /nfs/dbraw/zinc/26/78/11/180267811.db2.gz DSOKJAIHGONLGB-OGOUPESXSA-N 1 0 239.750 2.408 10 0 BEAERO Cc1nccn1[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000023067760 180271181 /nfs/dbraw/zinc/27/11/81/180271181.db2.gz JKRGFVMYJNGOCQ-ZWNOBZJWSA-N 1 0 215.300 2.453 10 0 BEAERO Cc1nccnc1C1CC[NH+](C(C)C)CC1 ZINC000072356949 180271208 /nfs/dbraw/zinc/27/12/08/180271208.db2.gz MZWLWOZNGDNTIS-UHFFFAOYSA-N 1 0 219.332 2.373 10 0 BEAERO Cc1nccn1[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000023069054 180271551 /nfs/dbraw/zinc/27/15/51/180271551.db2.gz KORPKIZVVPVRJG-RYUDHWBXSA-N 1 0 207.321 2.414 10 0 BEAERO Cc1nccn1[C@H]1CCCCC[C@H]1C[NH3+] ZINC000037159994 180271712 /nfs/dbraw/zinc/27/17/12/180271712.db2.gz RTCJNKCWBUVEJM-RYUDHWBXSA-N 1 0 207.321 2.272 10 0 BEAERO Cc1nccn1[C@@H](C[NH3+])c1ccccc1Cl ZINC000043053072 180271768 /nfs/dbraw/zinc/27/17/68/180271768.db2.gz BRJVCEVEULDMBA-LBPRGKRZSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1ncn([C@@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000051926503 180289155 /nfs/dbraw/zinc/28/91/55/180289155.db2.gz VXNNSWQIHMITJY-NWDGAFQWSA-N 1 0 207.321 2.332 10 0 BEAERO Cc1ncn([C@@H](c2ccco2)[C@@H](C)[NH3+])c1C ZINC000051925855 180289231 /nfs/dbraw/zinc/28/92/31/180289231.db2.gz WDUPEBQEOUGWGX-PRHODGIISA-N 1 0 219.288 2.030 10 0 BEAERO Cc1ncn([C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000051926065 180289797 /nfs/dbraw/zinc/28/97/97/180289797.db2.gz HSRPIGQHXDWNRT-NWDGAFQWSA-N 1 0 207.321 2.190 10 0 BEAERO Cc1ncn([C@@H]2COc3ccccc3[C@@H]2[NH3+])c1C ZINC000051926483 180289889 /nfs/dbraw/zinc/28/98/89/180289889.db2.gz OWPDHQGHSRHIOS-OCCSQVGLSA-N 1 0 243.310 2.133 10 0 BEAERO Cc1nccnc1[C@@H](C)[NH2+]CCc1ccncc1 ZINC000219181123 180279943 /nfs/dbraw/zinc/27/99/43/180279943.db2.gz PTSXRIXVYUXLIP-LLVKDONJSA-N 1 0 242.326 2.073 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]CCc1ccncc1 ZINC000219181211 180282771 /nfs/dbraw/zinc/28/27/71/180282771.db2.gz PTSXRIXVYUXLIP-NSHDSACASA-N 1 0 242.326 2.073 10 0 BEAERO Cc1cnc(NC(=O)c2ccc(C[NH3+])cc2)s1 ZINC000019422782 350286914 /nfs/dbraw/zinc/28/69/14/350286914.db2.gz LAZSBVRPICVYFR-UHFFFAOYSA-N 1 0 247.323 2.163 10 0 BEAERO CC(C)[C@H](C)C(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725264486 538091449 /nfs/dbraw/zinc/09/14/49/538091449.db2.gz QFFZFIBZJPYNLU-SGMGOOAPSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC000037738997 180327034 /nfs/dbraw/zinc/32/70/34/180327034.db2.gz LXGDSWJMMKKWPG-WCBMZHEXSA-N 1 0 226.345 2.139 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000250960341 180327337 /nfs/dbraw/zinc/32/73/37/180327337.db2.gz OXOKAISNNKVSTK-JMJZKYOTSA-N 1 0 240.372 2.263 10 0 BEAERO CCC(C)(C)NC(=O)N1CCC[C@@]([NH3+])(CC)C1 ZINC000725264258 538091052 /nfs/dbraw/zinc/09/10/52/538091052.db2.gz RXJXKEJFXGKOMK-ZDUSSCGKSA-N 1 0 241.379 2.088 10 0 BEAERO Cc1ncsc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000084149461 180321030 /nfs/dbraw/zinc/32/10/30/180321030.db2.gz XOYFJEWFFRJYLD-QWRGUYRKSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1nn(C)c(C)c1CC[NH2+]CCC(C)C ZINC000236726734 180336239 /nfs/dbraw/zinc/33/62/39/180336239.db2.gz RXGBVSMNAJJCSJ-UHFFFAOYSA-N 1 0 223.364 2.215 10 0 BEAERO Cc1nn(C)c(N(C)[C@H](C)CC(C)C)c1C[NH3+] ZINC000042588509 180353136 /nfs/dbraw/zinc/35/31/36/180353136.db2.gz XFRQLPLJAMVEKV-SNVBAGLBSA-N 1 0 238.379 2.058 10 0 BEAERO CC[C@@H](C)[NH+]1CCC(C)(C(N)=S)CC1 ZINC000226324280 350418354 /nfs/dbraw/zinc/41/83/54/350418354.db2.gz NLXSWHQVPXHMED-SECBINFHSA-N 1 0 214.378 2.173 10 0 BEAERO Cc1cc(C)c(C(=O)C2C[NH2+]C2)cc1C ZINC000226535745 350439601 /nfs/dbraw/zinc/43/96/01/350439601.db2.gz HZQWEGHIWIQUPP-UHFFFAOYSA-N 1 0 203.285 2.014 10 0 BEAERO C[C@H](CC[NH2+]Cc1ccc(F)cc1)[S@](C)=O ZINC000132575053 191103020 /nfs/dbraw/zinc/10/30/20/191103020.db2.gz WPPUYROIJFTKKP-QLJPJBMISA-N 1 0 243.347 2.072 10 0 BEAERO CC[C@@](C)([NH3+])C(=O)c1ccc(F)cc1C ZINC000226665516 350447264 /nfs/dbraw/zinc/44/72/64/350447264.db2.gz XFEGEUQJZODQHA-GFCCVEGCSA-N 1 0 209.264 2.444 10 0 BEAERO Cc1nn(C)c(Oc2ccccc2)c1C[C@H](C)[NH3+] ZINC000104298939 180361193 /nfs/dbraw/zinc/36/11/93/180361193.db2.gz JXYSIBIYVDFLOW-JTQLQIEISA-N 1 0 245.326 2.411 10 0 BEAERO C[C@H](O[C@H]1C[C@@H]([NH3+])C1(C)C)C(F)(F)F ZINC000227278121 350491020 /nfs/dbraw/zinc/49/10/20/350491020.db2.gz VJPWDIJZSNKXQP-XVMARJQXSA-N 1 0 211.227 2.080 10 0 BEAERO c1ccc2c(c1)cncc2[C@H]1CC[NH2+]CCO1 ZINC000616592658 350472137 /nfs/dbraw/zinc/47/21/37/350472137.db2.gz FHZBBVRTGUEHCI-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000409424851 350475627 /nfs/dbraw/zinc/47/56/27/350475627.db2.gz YWJVYHINTULTFB-GXTWGEPZSA-N 1 0 219.328 2.074 10 0 BEAERO c1csc(-c2cnn(C[C@@H]3CCC[NH2+]3)c2)c1 ZINC000409437384 350481141 /nfs/dbraw/zinc/48/11/41/350481141.db2.gz GNYFXBZGBLEYKT-NSHDSACASA-N 1 0 233.340 2.364 10 0 BEAERO CC[C@H](C)c1cc(C[NH3+])nc(C2CC2)n1 ZINC000409437389 350481315 /nfs/dbraw/zinc/48/13/15/350481315.db2.gz FZPQFLJXNVJLJP-QMMMGPOBSA-N 1 0 205.305 2.326 10 0 BEAERO Cc1nn(Cc2cc(C[NH3+])co2)c(C)c1Cl ZINC000052573918 180391499 /nfs/dbraw/zinc/39/14/99/180391499.db2.gz JTWAXKQMDDGQQN-UHFFFAOYSA-N 1 0 239.706 2.253 10 0 BEAERO Cc1nnc(C2CCC([NH3+])CC2)n1C(C)C ZINC000042030663 180398792 /nfs/dbraw/zinc/39/87/92/180398792.db2.gz UIVCEKVMVRZDLO-UHFFFAOYSA-N 1 0 222.336 2.152 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCC[C@H]2O)CC1 ZINC000063145635 350573388 /nfs/dbraw/zinc/57/33/88/350573388.db2.gz AULFHLDQQQBNHF-IFWUJCSASA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccccn2)CC1 ZINC000616593716 350584125 /nfs/dbraw/zinc/58/41/25/350584125.db2.gz LBARIZRYEBILJV-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccnnc2)CC1 ZINC000616594292 350593157 /nfs/dbraw/zinc/59/31/57/350593157.db2.gz FAALZKONHHEJAW-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO Cc1nnc(NC2CC[NH2+]CC2)c2ccccc12 ZINC000035660840 180432563 /nfs/dbraw/zinc/43/25/63/180432563.db2.gz WXZXMCTVFZTQGA-UHFFFAOYSA-N 1 0 242.326 2.102 10 0 BEAERO CCCCCC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000020481180 168637883 /nfs/dbraw/zinc/63/78/83/168637883.db2.gz ONTSPPKYJIDBLD-GFCCVEGCSA-N 1 0 226.364 2.215 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2ccccc2OC)CC1 ZINC000616595245 350606876 /nfs/dbraw/zinc/60/68/76/350606876.db2.gz VFSIJTLISTVFQN-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cccc(N)n1 ZINC000616596800 350637533 /nfs/dbraw/zinc/63/75/33/350637533.db2.gz HPVBXQBPROQQLT-LBPRGKRZSA-N 1 0 249.358 2.226 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@H](C)c1cc(F)cc(F)c1 ZINC000725266978 538097698 /nfs/dbraw/zinc/09/76/98/538097698.db2.gz OOCBSCWJFFUUPK-VHSXEESVSA-N 1 0 243.297 2.286 10 0 BEAERO CC(=O)Nc1ccccc1[C@@H]1C[N@H+](C)CCCO1 ZINC000616598602 350676818 /nfs/dbraw/zinc/67/68/18/350676818.db2.gz NXHHJAMIHYWNNB-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO CCC(CC)[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000725267535 538098884 /nfs/dbraw/zinc/09/88/84/538098884.db2.gz NZFNPZZSDGJEIK-OLZOCXBDSA-N 1 0 243.391 2.190 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2cccc(F)c2)C1 ZINC000616598869 350687150 /nfs/dbraw/zinc/68/71/50/350687150.db2.gz UHSUEDYBZBWCAQ-LBPRGKRZSA-N 1 0 223.291 2.261 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cccc(CO)c1 ZINC000616599419 350746879 /nfs/dbraw/zinc/74/68/79/350746879.db2.gz ZCAQXIVYBNZVTB-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616599782 350758282 /nfs/dbraw/zinc/75/82/82/350758282.db2.gz PHFGQKJDPXPISS-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc(CCO)c1 ZINC000616599861 350762263 /nfs/dbraw/zinc/76/22/63/350762263.db2.gz RMUGJYFCKSDQQP-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1cccc(CCO)c1 ZINC000616599303 350742818 /nfs/dbraw/zinc/74/28/18/350742818.db2.gz YFSMJIHOZGQTRV-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO CCn1c(C)nnc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177546984 366008712 /nfs/dbraw/zinc/00/87/12/366008712.db2.gz IZTZMHDRQWWYIK-STQMWFEESA-N 1 0 248.374 2.228 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2cccc3ccncc32)C1 ZINC000616613879 350817573 /nfs/dbraw/zinc/81/75/73/350817573.db2.gz UFHCFIRDNPNKNE-ZDUSSCGKSA-N 1 0 242.322 2.016 10 0 BEAERO COc1ccc(Br)c2c1[C@@H]([NH3+])CC2 ZINC000222258555 350767772 /nfs/dbraw/zinc/76/77/72/350767772.db2.gz VILHRYHMNSXHPY-QMMMGPOBSA-N 1 0 242.116 2.404 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2c[nH]nc2N)CC1 ZINC000616600508 350780732 /nfs/dbraw/zinc/78/07/32/350780732.db2.gz BQCIDGJTOXGJMC-JTQLQIEISA-N 1 0 236.363 2.190 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cnno2)CC1 ZINC000616601524 350782485 /nfs/dbraw/zinc/78/24/85/350782485.db2.gz QAGNEYOZVNXSGO-SNVBAGLBSA-N 1 0 223.320 2.438 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2ccnc(N)c2)C1 ZINC000616602888 350788091 /nfs/dbraw/zinc/78/80/91/350788091.db2.gz PMLQCSZAEWXGET-LBPRGKRZSA-N 1 0 219.332 2.084 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2ncccn2)C1 ZINC000616603220 350789201 /nfs/dbraw/zinc/78/92/01/350789201.db2.gz DDRLWWSPICIQHI-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H]1c1ccccc1CCO ZINC000616602941 350789388 /nfs/dbraw/zinc/78/93/88/350789388.db2.gz WMNPVPZRKZHKLC-HNNXBMFYSA-N 1 0 249.354 2.003 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2cccc(N)n2)C1 ZINC000616603591 350790199 /nfs/dbraw/zinc/79/01/99/350790199.db2.gz WUAUVDACAFRSKS-NSHDSACASA-N 1 0 219.332 2.253 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2cccc(N)c2)C1 ZINC000616602316 350791023 /nfs/dbraw/zinc/79/10/23/350791023.db2.gz KTLJUTQDCSOGNK-LBPRGKRZSA-N 1 0 204.317 2.468 10 0 BEAERO CNc1ccc([C@@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616602541 350792048 /nfs/dbraw/zinc/79/20/48/350792048.db2.gz ZIIUSJUPZLKXPS-CYBMUJFWSA-N 1 0 248.370 2.290 10 0 BEAERO OCC[N@@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616605021 350794169 /nfs/dbraw/zinc/79/41/69/350794169.db2.gz VUWAGVWNENBIEJ-LBPRGKRZSA-N 1 0 237.318 2.388 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2ccnnc2)C1 ZINC000616605376 350794787 /nfs/dbraw/zinc/79/47/87/350794787.db2.gz ZRGSMIQSZOBJLE-ZDUSSCGKSA-N 1 0 219.332 2.455 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2ccccc2CCO)C1 ZINC000616605603 350795038 /nfs/dbraw/zinc/79/50/38/350795038.db2.gz QNNIZPLOYSDEDG-CQSZACIVSA-N 1 0 233.355 2.421 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000616606374 350797281 /nfs/dbraw/zinc/79/72/81/350797281.db2.gz GUINBFPEMKNTSB-NSHDSACASA-N 1 0 242.363 2.384 10 0 BEAERO C[N@@H+]1CCC[C@@H]1c1cccc2nnccc21 ZINC000616606306 350797598 /nfs/dbraw/zinc/79/75/98/350797598.db2.gz AXXLJWJVJPRCIQ-CYBMUJFWSA-N 1 0 213.284 2.397 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616607551 350800968 /nfs/dbraw/zinc/80/09/68/350800968.db2.gz JZRQWJGNTSYGEJ-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO CC(=O)Nc1cccc([C@@H]2CCC[N@H+]2C)c1 ZINC000616607467 350801113 /nfs/dbraw/zinc/80/11/13/350801113.db2.gz SFCALAUPONZGLL-ZDUSSCGKSA-N 1 0 218.300 2.412 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1cccnn1 ZINC000616607469 350801307 /nfs/dbraw/zinc/80/13/07/350801307.db2.gz IDKZGJHPFDIPST-NSHDSACASA-N 1 0 205.305 2.412 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cccc(N)c2)CC1 ZINC000616609554 350803374 /nfs/dbraw/zinc/80/33/74/350803374.db2.gz BHESIQRVWREXSZ-LLVKDONJSA-N 1 0 204.317 2.468 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000616608344 350804376 /nfs/dbraw/zinc/80/43/76/350804376.db2.gz QPQFMDLSBUUSAJ-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616608454 350804385 /nfs/dbraw/zinc/80/43/85/350804385.db2.gz STXJPZVMHZGMDO-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1ccc2ccccc2n1 ZINC000616608412 350804451 /nfs/dbraw/zinc/80/44/51/350804451.db2.gz UENPJUYQRRDUIK-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616614336 350831887 /nfs/dbraw/zinc/83/18/87/350831887.db2.gz ISVMZSYCCINIHE-CYBMUJFWSA-N 1 0 242.322 2.016 10 0 BEAERO CC[N@@H+]1CCCC[C@@H]1c1cccc(N)n1 ZINC000616614525 350834881 /nfs/dbraw/zinc/83/48/81/350834881.db2.gz UJNINOZFZRJCAV-LLVKDONJSA-N 1 0 205.305 2.211 10 0 BEAERO Cc1sc(N(C)C2CC2)nc1[C@@H](C)[NH3+] ZINC000306683530 350841280 /nfs/dbraw/zinc/84/12/80/350841280.db2.gz WDFSPKJCSSULJM-ZCFIWIBFSA-N 1 0 211.334 2.070 10 0 BEAERO Cc1cc(-c2cnc(C[NH3+])s2)sn1 ZINC000306701831 350851259 /nfs/dbraw/zinc/85/12/59/350851259.db2.gz LNDPCHZGHLHRTQ-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])c1ncncc1Br ZINC000306703837 350852044 /nfs/dbraw/zinc/85/20/44/350852044.db2.gz BQZQXLLOOZQWNM-QMMMGPOBSA-N 1 0 244.136 2.285 10 0 BEAERO COc1ccc([C@@H]2CCCCN2CC[NH3+])cc1 ZINC000616616738 350856207 /nfs/dbraw/zinc/85/62/07/350856207.db2.gz WGTPCCUGWRGDDJ-AWEZNQCLSA-N 1 0 234.343 2.181 10 0 BEAERO CSCC[N@@H+]1C[C@@H]2CC[C@@H](F)[C@H]2C1 ZINC000306676203 350828630 /nfs/dbraw/zinc/82/86/30/350828630.db2.gz VLTSEPDCOYMPMP-LPEHRKFASA-N 1 0 203.326 2.029 10 0 BEAERO O=C(CC1CC1)[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000306731986 350901787 /nfs/dbraw/zinc/90/17/87/350901787.db2.gz REVAFFRDAIFFJL-TUAOUCFPSA-N 1 0 207.317 2.134 10 0 BEAERO [NH2+]=C(Nc1ccccc1Cl)NC1CC1 ZINC000052069667 350901916 /nfs/dbraw/zinc/90/19/16/350901916.db2.gz RGCOEOVAEOBFLS-UHFFFAOYSA-N 1 0 209.680 2.439 10 0 BEAERO CC(C)CNC(=[NH2+])[C@H]1SCCS[C@H]1C ZINC000252723204 350914801 /nfs/dbraw/zinc/91/48/01/350914801.db2.gz SXDMOAKOVRGWMT-IUCAKERBSA-N 1 0 232.418 2.446 10 0 BEAERO Cc1cc(C(C)C)nc(N2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000253038632 350918179 /nfs/dbraw/zinc/91/81/79/350918179.db2.gz ZFFYPSWPFXVEBB-NEPJUHHUSA-N 1 0 248.374 2.082 10 0 BEAERO CC[NH+]1CCC(c2ccc(CO)cc2)CC1 ZINC000616619301 350926923 /nfs/dbraw/zinc/92/69/23/350926923.db2.gz JHNRYXGKAYFDSJ-UHFFFAOYSA-N 1 0 219.328 2.378 10 0 BEAERO CC(C)[NH+]1CCC(c2ccc(N)nc2)CC1 ZINC000616619470 350927405 /nfs/dbraw/zinc/92/74/05/350927405.db2.gz PCFFMJQRJBBNNC-UHFFFAOYSA-N 1 0 219.332 2.082 10 0 BEAERO F[C@@]1(Cc2coc(Br)c2)CC[NH2+]C1 ZINC000306742814 350932711 /nfs/dbraw/zinc/93/27/11/350932711.db2.gz GHFGEQGMJKSONS-SECBINFHSA-N 1 0 248.095 2.286 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1C[C@@H]2CCC[C@H]2C1 ZINC000306747895 350934502 /nfs/dbraw/zinc/93/45/02/350934502.db2.gz KSDJNXFBEFIJFI-KBPBESRZSA-N 1 0 243.354 2.443 10 0 BEAERO C[C@H]1[C@@H](C)N(OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000306750514 350934614 /nfs/dbraw/zinc/93/46/14/350934614.db2.gz JBCNMUWCOCFGNK-SCRDCRAPSA-N 1 0 234.343 2.176 10 0 BEAERO CCc1cnc([C@@H]2NCCS2)s1 ZINC000306748881 350934684 /nfs/dbraw/zinc/93/46/84/350934684.db2.gz JUDUYUNNDLQMNA-SSDOTTSWSA-N 1 0 200.332 2.041 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccnnc2)C1 ZINC000616617751 350873933 /nfs/dbraw/zinc/87/39/33/350873933.db2.gz JHENHFKZYPTHBO-LBPRGKRZSA-N 1 0 205.305 2.064 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@H]1c1nnc[nH]1 ZINC000616620336 350938227 /nfs/dbraw/zinc/93/82/27/350938227.db2.gz HGOALQIIIDJFPU-JTQLQIEISA-N 1 0 208.309 2.130 10 0 BEAERO CC(C)[C@@H](C)Nc1[nH+]ncc(N)c1Cl ZINC000306723870 350890891 /nfs/dbraw/zinc/89/08/91/350890891.db2.gz HQTVAJKOGMJEEH-ZCFIWIBFSA-N 1 0 214.700 2.169 10 0 BEAERO C[C@H](C(N)=S)[N@@H+]1CCCC12CCCC2 ZINC000306724581 350893879 /nfs/dbraw/zinc/89/38/79/350893879.db2.gz IZJQLYGPFVKRSV-SECBINFHSA-N 1 0 212.362 2.070 10 0 BEAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000309524338 191127378 /nfs/dbraw/zinc/12/73/78/191127378.db2.gz AWLLNUWPEWNQJE-NEPJUHHUSA-N 1 0 221.348 2.222 10 0 BEAERO [NH3+][C@@H](Cc1cncs1)c1ccsc1 ZINC000159709468 350981477 /nfs/dbraw/zinc/98/14/77/350981477.db2.gz YLLMLQPRHHJIJZ-VIFPVBQESA-N 1 0 210.327 2.447 10 0 BEAERO C[NH2+][C@H](c1ccsc1)[C@@H]1OCC[C@H]1C ZINC000129229905 351008905 /nfs/dbraw/zinc/00/89/05/351008905.db2.gz XJSGDDWEAPKOPJ-FBIMIBRVSA-N 1 0 211.330 2.434 10 0 BEAERO C[NH2+][C@H](c1ccsc1)[C@@H]1OCC[C@@H]1C ZINC000129230129 351008925 /nfs/dbraw/zinc/00/89/25/351008925.db2.gz XJSGDDWEAPKOPJ-JMJZKYOTSA-N 1 0 211.330 2.434 10 0 BEAERO CO[C@H](C(C)C)[C@H]1[NH2+]CC[C@H](C)S1 ZINC000306761846 350987724 /nfs/dbraw/zinc/98/77/24/350987724.db2.gz DFAGZPFHFAOTRM-AEJSXWLSSA-N 1 0 203.351 2.099 10 0 BEAERO [NH3+][C@H](Cc1cncs1)[C@@H]1CCCCS1 ZINC000159739587 350989720 /nfs/dbraw/zinc/98/97/20/350989720.db2.gz SZSPRBDIOPSPNX-ZJUUUORDSA-N 1 0 228.386 2.299 10 0 BEAERO [NH3+][C@@H](Cc1cncs1)[C@H]1CCCCS1 ZINC000159739725 350990181 /nfs/dbraw/zinc/99/01/81/350990181.db2.gz SZSPRBDIOPSPNX-VHSXEESVSA-N 1 0 228.386 2.299 10 0 BEAERO CC[N@@H+](Cc1ccccc1)C[C@@H](C)C[NH2+]C ZINC000052443723 351001104 /nfs/dbraw/zinc/00/11/04/351001104.db2.gz LKFAZFPQXLOODJ-ZDUSSCGKSA-N 1 0 220.360 2.364 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccnc(N)c2)C1 ZINC000616620702 350944866 /nfs/dbraw/zinc/94/48/66/350944866.db2.gz MREYOBQIZFGOGH-GFCCVEGCSA-N 1 0 233.359 2.472 10 0 BEAERO Cc1cc(Br)cc2c1OC[C@@H]2[NH3+] ZINC000063061402 350948921 /nfs/dbraw/zinc/94/89/21/350948921.db2.gz PBWUFDLPDBDAJQ-QMMMGPOBSA-N 1 0 228.089 2.150 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000309526735 191127342 /nfs/dbraw/zinc/12/73/42/191127342.db2.gz COWNKVAHQKIKEN-GFCCVEGCSA-N 1 0 219.332 2.062 10 0 BEAERO C[C@@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)[C@@H]1C ZINC000306776276 351017757 /nfs/dbraw/zinc/01/77/57/351017757.db2.gz YKGHUIUGRADSIL-WZRBSPASSA-N 1 0 231.343 2.345 10 0 BEAERO CSC1(CNC2=[NH+][C@H](C)[C@H](C)S2)CC1 ZINC000306781105 351025870 /nfs/dbraw/zinc/02/58/70/351025870.db2.gz BOXGZPUPFOWGAP-SFYZADRCSA-N 1 0 230.402 2.351 10 0 BEAERO C[C@@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)CS1 ZINC000306782881 351028061 /nfs/dbraw/zinc/02/80/61/351028061.db2.gz RAYUIFRYLHSGAV-ZYHUDNBSSA-N 1 0 249.383 2.195 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000336700478 351044941 /nfs/dbraw/zinc/04/49/41/351044941.db2.gz AAHQORQDXPTFAM-CYBMUJFWSA-N 1 0 243.391 2.286 10 0 BEAERO [NH3+][C@H](c1nccs1)[C@@H]1CCCSC1 ZINC000306796648 351047540 /nfs/dbraw/zinc/04/75/40/351047540.db2.gz WVHHXVNHSOQDIF-SFYZADRCSA-N 1 0 214.359 2.286 10 0 BEAERO C[NH2+]C1(C(=O)c2ccc[nH]2)CCCCC1 ZINC000306806298 351056327 /nfs/dbraw/zinc/05/63/27/351056327.db2.gz JGCMVEAEUSKXJR-UHFFFAOYSA-N 1 0 206.289 2.120 10 0 BEAERO CC[C@@H]1CC[C@H]([C@@H]2[NH2+]C[C@H]3CCC[C@@H]23)O1 ZINC000306808530 351061201 /nfs/dbraw/zinc/06/12/01/351061201.db2.gz PJGLAWRTQMTWMB-SYLRKERUSA-N 1 0 209.333 2.332 10 0 BEAERO F[C@H](Cc1cncs1)[C@H]1CCC[NH2+]C1 ZINC000159842249 351012843 /nfs/dbraw/zinc/01/28/43/351012843.db2.gz XVIUUQPWDSORLO-WCBMZHEXSA-N 1 0 214.309 2.023 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000252710139 538099894 /nfs/dbraw/zinc/09/98/94/538099894.db2.gz FUNQNBQQBYYDPT-VOAKCMCISA-N 1 0 211.349 2.458 10 0 BEAERO CSC(C)(C)c1nc(C[NH3+])cs1 ZINC000306773767 351014900 /nfs/dbraw/zinc/01/49/00/351014900.db2.gz JBOZFGHCKRDYGI-UHFFFAOYSA-N 1 0 202.348 2.200 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1cccc2ncccc21 ZINC000616630728 351103463 /nfs/dbraw/zinc/10/34/63/351103463.db2.gz ALJTZQRTUYMYAD-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccc(N)cc2)CC1 ZINC000616626880 351107097 /nfs/dbraw/zinc/10/70/97/351107097.db2.gz DQMGJHBMRILJBK-NSHDSACASA-N 1 0 204.317 2.468 10 0 BEAERO CNc1ccccc1[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC000616631779 351108516 /nfs/dbraw/zinc/10/85/16/351108516.db2.gz CCVWTZOHVRZQCO-CQSZACIVSA-N 1 0 247.386 2.473 10 0 BEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cccc(N)c2)C1 ZINC000616632009 351110010 /nfs/dbraw/zinc/11/00/10/351110010.db2.gz DCDXQAQGPMOBQF-ZDUSSCGKSA-N 1 0 233.359 2.014 10 0 BEAERO COc1cccc([C@@H]2C[N@@H+](C(C)(C)C)CCN2)c1 ZINC000616632089 351110294 /nfs/dbraw/zinc/11/02/94/351110294.db2.gz HJRJGWDNFUBBOW-AWEZNQCLSA-N 1 0 248.370 2.440 10 0 BEAERO OCCc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000616632214 351110981 /nfs/dbraw/zinc/11/09/81/351110981.db2.gz MNQBWKYLOHFABA-CQSZACIVSA-N 1 0 219.328 2.426 10 0 BEAERO CC[N@@H+]1CCN[C@@H](c2ccc3cnccc3c2)C1 ZINC000616632693 351111987 /nfs/dbraw/zinc/11/19/87/351111987.db2.gz XPUZNTPGODQRQR-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@H](c3ccncn3)C2)cc1 ZINC000616634663 351117960 /nfs/dbraw/zinc/11/79/60/351117960.db2.gz WUHOWCLFTOKQEZ-AWEZNQCLSA-N 1 0 239.322 2.466 10 0 BEAERO CC(=O)Nc1ccccc1[C@H]1CCC[N@H+]1C ZINC000616634638 351118073 /nfs/dbraw/zinc/11/80/73/351118073.db2.gz WCTORZKWQZZMAB-CYBMUJFWSA-N 1 0 218.300 2.412 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]CCNC(=O)OC(C)(C)C ZINC000231674653 351072702 /nfs/dbraw/zinc/07/27/02/351072702.db2.gz MNODCYNUOYVJHY-GHMZBOCLSA-N 1 0 242.363 2.289 10 0 BEAERO Cc1cocc1C(=O)[C@@H]1CC[NH2+]C[C@H]1C ZINC000306811443 351079657 /nfs/dbraw/zinc/07/96/57/351079657.db2.gz WVZHWNSEFVRYDU-PSASIEDQSA-N 1 0 207.273 2.016 10 0 BEAERO Cc1cocc1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000306812181 351081549 /nfs/dbraw/zinc/08/15/49/351081549.db2.gz YMKZEHKFRCLPQX-NXEZZACHSA-N 1 0 207.273 2.146 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1c1ccccc1CCO ZINC000616625994 351086656 /nfs/dbraw/zinc/08/66/56/351086656.db2.gz OEAVWCULTPXNMX-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO OCC[N@@H+]1CCCCC[C@@H]1c1ccc(CO)cc1 ZINC000616622858 351087706 /nfs/dbraw/zinc/08/77/06/351087706.db2.gz JDZBVGLBZJOOFT-OAHLLOKOSA-N 1 0 249.354 2.088 10 0 BEAERO NCC[N@@H+]1CCCCC[C@@H]1c1cccc(N)c1 ZINC000616623778 351090073 /nfs/dbraw/zinc/09/00/73/351090073.db2.gz GZAUGEGTRMOJTE-CQSZACIVSA-N 1 0 233.359 2.145 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1cc(N)n[nH]1 ZINC000616624323 351091293 /nfs/dbraw/zinc/09/12/93/351091293.db2.gz YDVQPYMSVAHYRY-LLVKDONJSA-N 1 0 222.336 2.148 10 0 BEAERO OCCc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000616624101 351091322 /nfs/dbraw/zinc/09/13/22/351091322.db2.gz TYVGVMSQPFGASY-AWEZNQCLSA-N 1 0 219.328 2.426 10 0 BEAERO COc1ccc([C@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616627791 351096808 /nfs/dbraw/zinc/09/68/08/351096808.db2.gz NPMRTYITPQYUOF-ZDUSSCGKSA-N 1 0 249.354 2.257 10 0 BEAERO CNc1ccccc1[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616628171 351097567 /nfs/dbraw/zinc/09/75/67/351097567.db2.gz NLJLDFVBBVPHHP-CYBMUJFWSA-N 1 0 247.386 2.257 10 0 BEAERO OCc1ccccc1[C@H]1CCCC[NH2+]C1 ZINC000616628239 351097709 /nfs/dbraw/zinc/09/77/09/351097709.db2.gz DKAFMUWCLGGCQL-NSHDSACASA-N 1 0 205.301 2.036 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc(N)c2)C1 ZINC000616645228 351167481 /nfs/dbraw/zinc/16/74/81/351167481.db2.gz ACOFWYTYUQXRSE-ZDUSSCGKSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccc(N)nc2)C1 ZINC000616653894 351195024 /nfs/dbraw/zinc/19/50/24/351195024.db2.gz YGUQCTBVHMDAOO-GFCCVEGCSA-N 1 0 249.358 2.056 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccc(N)cc2)C1 ZINC000616646318 351170283 /nfs/dbraw/zinc/17/02/83/351170283.db2.gz ZMPZGAKWWURJOM-CYBMUJFWSA-N 1 0 220.316 2.051 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](C(F)F)C1 ZINC000616653637 351193886 /nfs/dbraw/zinc/19/38/86/351193886.db2.gz RKLAUNAAPDLQQH-MRVPVSSYSA-N 1 0 207.264 2.141 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccnc(N)c2)C1 ZINC000616650358 351177750 /nfs/dbraw/zinc/17/77/50/351177750.db2.gz YPCXMWHMMQXCEO-LBPRGKRZSA-N 1 0 249.358 2.056 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccnnc2)C1 ZINC000616649405 351178781 /nfs/dbraw/zinc/17/87/81/351178781.db2.gz IFWKXWODKRINKM-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccno2)C1 ZINC000616649919 351179797 /nfs/dbraw/zinc/17/97/97/351179797.db2.gz PVVUXUJMASHSIU-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO C[C@H]([NH3+])C(=O)c1cscc1Br ZINC000167987158 351181846 /nfs/dbraw/zinc/18/18/46/351181846.db2.gz OLPNIOCORYZUDA-BYPYZUCNSA-N 1 0 234.118 2.041 10 0 BEAERO Clc1cc(C[NH2+]C2CC2)nc(Cl)n1 ZINC000072194566 180575010 /nfs/dbraw/zinc/57/50/10/180575010.db2.gz ZURSGPRGPGZSLN-UHFFFAOYSA-N 1 0 218.087 2.035 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2C[N@H+](C)CCCO2)cc1 ZINC000616651701 351189292 /nfs/dbraw/zinc/18/92/92/351189292.db2.gz OKWFFWWFAPNPFQ-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](OC(F)(F)F)C1 ZINC000616651944 351189934 /nfs/dbraw/zinc/18/99/34/351189934.db2.gz BVJOJQZDDGLLTK-QMMMGPOBSA-N 1 0 241.253 2.370 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616654823 351190786 /nfs/dbraw/zinc/19/07/86/351190786.db2.gz NNSRNLUVDHUNPQ-GFCCVEGCSA-N 1 0 246.354 2.375 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2cc[nH]n2)C1 ZINC000616653988 351194900 /nfs/dbraw/zinc/19/49/00/351194900.db2.gz IECPKPRVIIGYHH-LLVKDONJSA-N 1 0 207.321 2.388 10 0 BEAERO CCN1CCOC[C@@H]1c1ccccc1NC ZINC000616636907 351130854 /nfs/dbraw/zinc/13/08/54/351130854.db2.gz HWRGRZAQFZHZHB-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccccc1N ZINC000616637146 351133104 /nfs/dbraw/zinc/13/31/04/351133104.db2.gz MCNQFPLRLDQJKA-CYBMUJFWSA-N 1 0 234.343 2.441 10 0 BEAERO c1cc2cc([C@H]3C[NH2+]CCCO3)ccc2cn1 ZINC000616652453 351191203 /nfs/dbraw/zinc/19/12/03/351191203.db2.gz ZAXBZKIAMKGOPX-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CNc1ccccc1[C@@H]1C[NH2+]CCN1C(C)C ZINC000616637634 351134962 /nfs/dbraw/zinc/13/49/62/351134962.db2.gz OSBJPJZTSZPTQT-AWEZNQCLSA-N 1 0 233.359 2.083 10 0 BEAERO CNc1ccc([C@@H]2CNCC[N@@H+]2C(C)(C)C)cc1 ZINC000616638503 351139969 /nfs/dbraw/zinc/13/99/69/351139969.db2.gz VVJUAIXGCFAPFF-AWEZNQCLSA-N 1 0 247.386 2.473 10 0 BEAERO CNc1ccc([C@@H]2C[NH2+]CCN2C(C)C)cc1 ZINC000616638568 351140288 /nfs/dbraw/zinc/14/02/88/351140288.db2.gz YPUZBYTXLDKVQL-AWEZNQCLSA-N 1 0 233.359 2.083 10 0 BEAERO C[C@@H]1CSC(NCCC(F)(F)F)=[NH+]1 ZINC000063100810 351140739 /nfs/dbraw/zinc/14/07/39/351140739.db2.gz NNNPSAPMMVHIDS-RXMQYKEDSA-N 1 0 212.240 2.020 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1ncco1 ZINC000616670485 351233303 /nfs/dbraw/zinc/23/33/03/351233303.db2.gz PZZSEQKGOQZLOQ-ZDUSSCGKSA-N 1 0 243.310 2.127 10 0 BEAERO CC(C)(C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000616672106 351235111 /nfs/dbraw/zinc/23/51/11/351235111.db2.gz IRUHKXYUZDIOGV-LLVKDONJSA-N 1 0 204.317 2.175 10 0 BEAERO CN1CCc2ccccc2[C@@H]1c1ncco1 ZINC000616676888 351241667 /nfs/dbraw/zinc/24/16/67/351241667.db2.gz CJHFKMGRZHOULQ-GFCCVEGCSA-N 1 0 214.268 2.252 10 0 BEAERO CN1CCc2ccccc2[C@@H]1c1cnco1 ZINC000616677779 351245216 /nfs/dbraw/zinc/24/52/16/351245216.db2.gz VEJVQNVGWYYUJV-CYBMUJFWSA-N 1 0 214.268 2.252 10 0 BEAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1cnno1 ZINC000616678436 351246134 /nfs/dbraw/zinc/24/61/34/351246134.db2.gz IEKRBLARBIKHNZ-AWEZNQCLSA-N 1 0 243.310 2.426 10 0 BEAERO OCc1cccc([C@H]2[NH2+]CCc3ccccc32)c1 ZINC000616680311 351247240 /nfs/dbraw/zinc/24/72/40/351247240.db2.gz MOYUZRMOTFKCBA-MRXNPFEDSA-N 1 0 239.318 2.414 10 0 BEAERO CC(C)(C)N1C[C@@H](CC[NH3+])Nc2ccccc21 ZINC000616680904 351248675 /nfs/dbraw/zinc/24/86/75/351248675.db2.gz IOFCENXJJVQCKP-LLVKDONJSA-N 1 0 233.359 2.434 10 0 BEAERO [NH3+]C[C@H](F)CCCOCc1ccccc1 ZINC000306866380 351251627 /nfs/dbraw/zinc/25/16/27/351251627.db2.gz NRSMIDPBSZYKHR-GFCCVEGCSA-N 1 0 211.280 2.280 10 0 BEAERO CC(C)N1C[C@H](CC[NH3+])Nc2ccccc21 ZINC000616683127 351253475 /nfs/dbraw/zinc/25/34/75/351253475.db2.gz PGQIJTQUNWWYPC-NSHDSACASA-N 1 0 219.332 2.044 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccon2)CC1 ZINC000616684145 351255199 /nfs/dbraw/zinc/25/51/99/351255199.db2.gz DSRALHVDPKCNLD-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO CNc1cccc([C@@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616657147 351198363 /nfs/dbraw/zinc/19/83/63/351198363.db2.gz ZUZBHGLENDDNKW-CQSZACIVSA-N 1 0 248.370 2.290 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cccnc1N ZINC000616655803 351201809 /nfs/dbraw/zinc/20/18/09/351201809.db2.gz CQDGETJZOFGTMO-LBPRGKRZSA-N 1 0 249.358 2.226 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2cccnc2N)C1 ZINC000616656391 351202524 /nfs/dbraw/zinc/20/25/24/351202524.db2.gz WRCCRUQULCPGMV-LLVKDONJSA-N 1 0 219.332 2.253 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccccn2)C1 ZINC000616659295 351207435 /nfs/dbraw/zinc/20/74/35/351207435.db2.gz FHSSSPXCPOHLNF-LBPRGKRZSA-N 1 0 234.343 2.296 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1ccc(F)cc1 ZINC000616660239 351210127 /nfs/dbraw/zinc/21/01/27/351210127.db2.gz WGCGDPTWWOGMMY-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cccnc2)C1 ZINC000616661545 351210539 /nfs/dbraw/zinc/21/05/39/351210539.db2.gz ULSNIUVBHKSXMG-CYBMUJFWSA-N 1 0 234.343 2.296 10 0 BEAERO c1cnc2cc([C@H]3CC[NH2+]CCO3)ccc2c1 ZINC000616664338 351219196 /nfs/dbraw/zinc/21/91/96/351219196.db2.gz RLKXULBELCQOBC-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccncn2)CC1 ZINC000616665653 351223452 /nfs/dbraw/zinc/22/34/52/351223452.db2.gz QPHXHMRNLMLPAI-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccc(CO)cc2)CC1 ZINC000616666156 351225864 /nfs/dbraw/zinc/22/58/64/351225864.db2.gz JSXALRRQAJAGQT-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccccn1 ZINC000267007153 351297203 /nfs/dbraw/zinc/29/72/03/351297203.db2.gz GYYYEZLKXSNYQZ-LBPRGKRZSA-N 1 0 219.332 2.002 10 0 BEAERO C[C@]1(N)C[NH2+]C[C@H]1c1cccc(CC2CCC2)c1 ZINC000725268223 538100181 /nfs/dbraw/zinc/10/01/81/538100181.db2.gz PXVMCDZZNAUMHM-HOTGVXAUSA-N 1 0 244.382 2.433 10 0 BEAERO Brc1ccoc1C1=CC[NH2+]CC1 ZINC000068980826 351311538 /nfs/dbraw/zinc/31/15/38/351311538.db2.gz SWSQBUCTUADMHV-UHFFFAOYSA-N 1 0 228.089 2.419 10 0 BEAERO Cc1ncc([C@H]2CCC[C@H](C[NH3+])O2)s1 ZINC000306950717 351378667 /nfs/dbraw/zinc/37/86/67/351378667.db2.gz ZXHKDUZWILRMJG-RKDXNWHRSA-N 1 0 212.318 2.020 10 0 BEAERO COc1ccc(C[NH3+])c(Br)c1F ZINC000231841176 351405732 /nfs/dbraw/zinc/40/57/32/351405732.db2.gz VHUIAEJQLMTYDL-UHFFFAOYSA-N 1 0 234.068 2.056 10 0 BEAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000306972329 351395270 /nfs/dbraw/zinc/39/52/70/351395270.db2.gz KUDHBROOJKCJGD-AATLWQCWSA-N 1 0 217.403 2.364 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1cccc(Br)c1F ZINC000306980319 351397115 /nfs/dbraw/zinc/39/71/15/351397115.db2.gz PLMUUYFXMUXFNC-HTRCEHHLSA-N 1 0 230.080 2.403 10 0 BEAERO CNc1ccc(C[NH3+])c(Br)c1F ZINC000231839731 351399725 /nfs/dbraw/zinc/39/97/25/351399725.db2.gz LHSTZHYQXKCDJJ-UHFFFAOYSA-N 1 0 233.084 2.089 10 0 BEAERO C[C@@]1([C@H]([NH3+])c2ccns2)CCCS1 ZINC000306981182 351400867 /nfs/dbraw/zinc/40/08/67/351400867.db2.gz HLUWDBDYYSRBEN-BDAKNGLRSA-N 1 0 214.359 2.429 10 0 BEAERO CC1CC([NH2+]CCN(C)C(=O)OC(C)(C)C)C1 ZINC000231787996 351341437 /nfs/dbraw/zinc/34/14/37/351341437.db2.gz JZKWOXZABXYXPY-UHFFFAOYSA-N 1 0 242.363 2.241 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccc2ncccc2c1 ZINC000069050755 351348387 /nfs/dbraw/zinc/34/83/87/351348387.db2.gz JCBCFWKHZJMUCR-WCQYABFASA-N 1 0 216.284 2.006 10 0 BEAERO CC(C)CC[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000034936798 351350050 /nfs/dbraw/zinc/35/00/50/351350050.db2.gz VSWHQEPLCPVMCX-GFCCVEGCSA-N 1 0 240.391 2.460 10 0 BEAERO CCCCC[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000034936729 351350415 /nfs/dbraw/zinc/35/04/15/351350415.db2.gz HWYWHEGWGUMBLZ-LBPRGKRZSA-N 1 0 226.364 2.167 10 0 BEAERO CCC[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000034936821 351351110 /nfs/dbraw/zinc/35/11/10/351351110.db2.gz BUTQKKMHSZGXKN-VXGBXAGGSA-N 1 0 226.364 2.166 10 0 BEAERO CCCCC[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC000034938620 351352984 /nfs/dbraw/zinc/35/29/84/351352984.db2.gz XNODQAJUALPQLM-WDEREUQCSA-N 1 0 214.353 2.069 10 0 BEAERO CCCCC[NH2+][C@@H](C)C(=O)N[C@H](C)CC ZINC000034938621 351353202 /nfs/dbraw/zinc/35/32/02/351353202.db2.gz XNODQAJUALPQLM-MNOVXSKESA-N 1 0 214.353 2.069 10 0 BEAERO CCOc1ccc([C@@H](F)C[NH3+])cc1OC ZINC000380106955 351355644 /nfs/dbraw/zinc/35/56/44/351355644.db2.gz QXVZZIBIOKHCAF-VIFPVBQESA-N 1 0 213.252 2.063 10 0 BEAERO Cn1cc([C@H]([NH3+])Cc2ccccc2Cl)cn1 ZINC000034957634 351362905 /nfs/dbraw/zinc/36/29/05/351362905.db2.gz WVSDNMHVQMSFLG-GFCCVEGCSA-N 1 0 235.718 2.316 10 0 BEAERO Cn1cc([C@H]([NH3+])c2cc(Cl)ccc2F)cn1 ZINC000034957626 351363019 /nfs/dbraw/zinc/36/30/19/351363019.db2.gz LGPVAFWJRKEOHT-NSHDSACASA-N 1 0 239.681 2.261 10 0 BEAERO C[C@H]1CCSC(NCCC(F)(F)F)=[NH+]1 ZINC000133641707 351427675 /nfs/dbraw/zinc/42/76/75/351427675.db2.gz VUMGWLGRFZBDNN-LURJTMIESA-N 1 0 226.267 2.410 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1c(F)cccc1Br ZINC000307038655 351436442 /nfs/dbraw/zinc/43/64/42/351436442.db2.gz HIQCLHHBGVFTLI-XRGYYRRGSA-N 1 0 230.080 2.403 10 0 BEAERO CC(C)(C)OC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000307040016 351437186 /nfs/dbraw/zinc/43/71/86/351437186.db2.gz QOIZRXYDSUBGIR-JTQLQIEISA-N 1 0 228.336 2.125 10 0 BEAERO CC(C)(C)OC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000307040019 351437443 /nfs/dbraw/zinc/43/74/43/351437443.db2.gz QOIZRXYDSUBGIR-SNVBAGLBSA-N 1 0 228.336 2.125 10 0 BEAERO Cc1nc([C@H]([NH3+])C[C@@H]2CCCO2)cs1 ZINC000307052600 351451227 /nfs/dbraw/zinc/45/12/27/351451227.db2.gz USUCDDNHARBGRA-DTWKUNHWSA-N 1 0 212.318 2.020 10 0 BEAERO C[C@H]([NH3+])c1cnc(-c2ccns2)s1 ZINC000404449872 351459364 /nfs/dbraw/zinc/45/93/64/351459364.db2.gz HTGFBJAMOGUQHJ-YFKPBYRVSA-N 1 0 211.315 2.286 10 0 BEAERO CO[C@H](C[NH3+])c1csc(Br)c1 ZINC000306994637 351410944 /nfs/dbraw/zinc/41/09/44/351410944.db2.gz OFHQDZYIDQSRQK-ZCFIWIBFSA-N 1 0 236.134 2.157 10 0 BEAERO O[C@@]1(c2ccoc2)CC[N@H+](Cc2ccccc2)C1 ZINC000307160203 351512218 /nfs/dbraw/zinc/51/22/18/351512218.db2.gz JWLXBUHKPVVSHV-HNNXBMFYSA-N 1 0 243.306 2.373 10 0 BEAERO C/C(=C\Cl)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000232012475 351529443 /nfs/dbraw/zinc/52/94/43/351529443.db2.gz FJWCUPMPZGNKEQ-CDCCAWJDSA-N 1 0 216.756 2.059 10 0 BEAERO Cn1c(CC[NH3+])cc2c1cccc2Cl ZINC000082376609 180617407 /nfs/dbraw/zinc/61/74/07/180617407.db2.gz GFLUCMRLZGJALD-UHFFFAOYSA-N 1 0 208.692 2.333 10 0 BEAERO C[C@](F)(c1cscn1)[C@@H]1CCC[NH2+]1 ZINC000307186718 351587092 /nfs/dbraw/zinc/58/70/92/351587092.db2.gz VALBSHFVKRJRPO-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO C[C@]1([C@H]([NH3+])c2cnsc2)CCCS1 ZINC000404592646 351593652 /nfs/dbraw/zinc/59/36/52/351593652.db2.gz MHOIQYVSAHGBOQ-RKDXNWHRSA-N 1 0 214.359 2.429 10 0 BEAERO F[C@H](c1ccns1)C1CC[NH2+]CC1 ZINC000307194675 351594137 /nfs/dbraw/zinc/59/41/37/351594137.db2.gz JVKYNTQURHHCBF-VIFPVBQESA-N 1 0 200.282 2.153 10 0 BEAERO CCC1CCC(NC(=O)CCC2C[NH2+]C2)CC1 ZINC000637918117 351793194 /nfs/dbraw/zinc/79/31/94/351793194.db2.gz NEDOSVJIRAWELN-UHFFFAOYSA-N 1 0 238.375 2.071 10 0 BEAERO [NH3+][C@@H](C1=CCCCO1)C1CC(F)(F)C1 ZINC000307247962 351756928 /nfs/dbraw/zinc/75/69/28/351756928.db2.gz NBFAYSADVXTFCX-SECBINFHSA-N 1 0 203.232 2.053 10 0 BEAERO Nc1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000638084976 351961142 /nfs/dbraw/zinc/96/11/42/351961142.db2.gz SIMIJIYNWMDITN-CABZTGNLSA-N 1 0 220.291 2.392 10 0 BEAERO Nc1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000638084977 351961297 /nfs/dbraw/zinc/96/12/97/351961297.db2.gz SIMIJIYNWMDITN-JOYOIKCWSA-N 1 0 220.291 2.392 10 0 BEAERO Cn1cc(S[C@@H](C[NH3+])c2cccs2)cn1 ZINC000043114895 180663330 /nfs/dbraw/zinc/66/33/30/180663330.db2.gz XZOPEXVZHWQTDS-JTQLQIEISA-N 1 0 239.369 2.274 10 0 BEAERO CC(C)(C)[C@H]([NH3+])CN1CCCCCCC1=O ZINC000019399607 187588937 /nfs/dbraw/zinc/58/89/37/187588937.db2.gz BWOVZFRTARJQBR-LLVKDONJSA-N 1 0 226.364 2.153 10 0 BEAERO CC(C)(C[NH3+])Oc1ccc(F)cc1F ZINC000020398670 187590862 /nfs/dbraw/zinc/59/08/62/187590862.db2.gz LULRBIKPVWCTBJ-UHFFFAOYSA-N 1 0 201.216 2.081 10 0 BEAERO CC[C@@H]1C[NH+]=C(N[C@H]2CS[C@@H](C)C2)S1 ZINC000307347507 352102353 /nfs/dbraw/zinc/10/23/53/352102353.db2.gz QEJFBPQYGHRVFJ-DJLDLDEBSA-N 1 0 230.402 2.351 10 0 BEAERO Cc1ccc(C)c(C(=O)C[NH2+]C2CC2)c1 ZINC000049812659 187608798 /nfs/dbraw/zinc/60/87/98/187608798.db2.gz UPHVTTGZZSGODB-UHFFFAOYSA-N 1 0 203.285 2.238 10 0 BEAERO CC(C)[C@H](C[NH2+]C1CC1)N(C)Cc1ccco1 ZINC000052456517 187610540 /nfs/dbraw/zinc/61/05/40/187610540.db2.gz NFFUXJPVNSQHSL-AWEZNQCLSA-N 1 0 236.359 2.488 10 0 BEAERO CC(C)Cn1cnnc1-c1ccc(CC[NH3+])cc1 ZINC000054526137 187611830 /nfs/dbraw/zinc/61/18/30/187611830.db2.gz JAFYOZLMZMHYNP-UHFFFAOYSA-N 1 0 244.342 2.102 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]([C@@H]2CCSC2)SC1 ZINC000224675528 363117440 /nfs/dbraw/zinc/11/74/40/363117440.db2.gz FVLHYXLDYYZLQJ-IWSPIJDZSA-N 1 0 203.376 2.038 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638407658 352212980 /nfs/dbraw/zinc/21/29/80/352212980.db2.gz CLKPUNVCQBXQOK-XJFOESAGSA-N 1 0 222.376 2.106 10 0 BEAERO CCN1CCC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000638409755 352216630 /nfs/dbraw/zinc/21/66/30/352216630.db2.gz RINXQTPSOJETLH-CYBMUJFWSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1CCC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000638409756 352216757 /nfs/dbraw/zinc/21/67/57/352216757.db2.gz RINXQTPSOJETLH-ZDUSSCGKSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@@H](C[N@@H+]1CCCCC[C@H]1C)C(N)=S ZINC000252113729 363124263 /nfs/dbraw/zinc/12/42/63/363124263.db2.gz IDSAPEDAZYCPBY-VHSXEESVSA-N 1 0 214.378 2.173 10 0 BEAERO CC(C)(C)c1ccc([C@@](C)(O)C[NH3+])cc1 ZINC000011803511 187647704 /nfs/dbraw/zinc/64/77/04/187647704.db2.gz QSVMSFDRUOZYHE-ZDUSSCGKSA-N 1 0 207.317 2.150 10 0 BEAERO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)CF ZINC000307352358 352280539 /nfs/dbraw/zinc/28/05/39/352280539.db2.gz QWOFAKHZDNHEEF-ZDUSSCGKSA-N 1 0 225.307 2.229 10 0 BEAERO C1CC1c1noc([C@@H]2C[NH2+]CC23CCCC3)n1 ZINC000328579751 187661501 /nfs/dbraw/zinc/66/15/01/187661501.db2.gz ZPOWELVUPBXBDO-JTQLQIEISA-N 1 0 233.315 2.194 10 0 BEAERO CCCC[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271155 538103232 /nfs/dbraw/zinc/10/32/32/538103232.db2.gz IBLPAOKFRTVXMJ-RNJOBUHISA-N 1 0 209.333 2.334 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271660 538103303 /nfs/dbraw/zinc/10/33/03/538103303.db2.gz QZEJQCCQUFDGKE-NWBUJAPZSA-N 1 0 209.333 2.332 10 0 BEAERO C1CC([NH2+][C@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)C1 ZINC000725271443 538102925 /nfs/dbraw/zinc/10/29/25/538102925.db2.gz NDHFSGWMRXXHRX-BQUFFADESA-N 1 0 207.317 2.086 10 0 BEAERO COC(=O)[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC000389490341 352419412 /nfs/dbraw/zinc/41/94/12/352419412.db2.gz SEQSWYSSFZCQJC-NSHDSACASA-N 1 0 227.348 2.356 10 0 BEAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000190420286 187709420 /nfs/dbraw/zinc/70/94/20/187709420.db2.gz PVKUHMCCHJRION-UPJWGTAASA-N 1 0 241.375 2.206 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(F)(F)C[C@H]1C ZINC000638630422 352469938 /nfs/dbraw/zinc/46/99/38/352469938.db2.gz MGAPFDRSTHMETL-ZJUUUORDSA-N 1 0 248.317 2.006 10 0 BEAERO Cn1ccnc1C[NH2+]CC1CCCCC1 ZINC000035373188 180746540 /nfs/dbraw/zinc/74/65/40/180746540.db2.gz WBSVWUNOWVVTQD-UHFFFAOYSA-N 1 0 207.321 2.090 10 0 BEAERO C[NH2+]CC1CCC(Nc2ccccn2)CC1 ZINC000725272450 538104267 /nfs/dbraw/zinc/10/42/67/538104267.db2.gz QGZGOXYLZMOERB-UHFFFAOYSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@H]([NH3+])CCc1coc(Br)c1 ZINC000307414221 352588734 /nfs/dbraw/zinc/58/87/34/352588734.db2.gz HZXDAIYQFNSWJN-LURJTMIESA-N 1 0 218.094 2.322 10 0 BEAERO C[C@H]1CCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307414757 352588814 /nfs/dbraw/zinc/58/88/14/352588814.db2.gz MHBCOARUUKCLBM-AAEUAGOBSA-N 1 0 231.343 2.489 10 0 BEAERO C[C@@H]([NH3+])c1c[nH]c(-c2ncc(Cl)s2)n1 ZINC000307425284 352592798 /nfs/dbraw/zinc/59/27/98/352592798.db2.gz PIYBEODJXHOWND-SCSAIBSYSA-N 1 0 228.708 2.206 10 0 BEAERO C/C=C/C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000307433443 352595445 /nfs/dbraw/zinc/59/54/45/352595445.db2.gz NZDIURAFJNIMEO-XYBNCVKDSA-N 1 0 230.355 2.427 10 0 BEAERO [NH3+][C@H](c1ccns1)[C@@H]1CCCS1 ZINC000307456184 352608187 /nfs/dbraw/zinc/60/81/87/352608187.db2.gz DHTDIUASCSJVSK-XPUUQOCRSA-N 1 0 200.332 2.039 10 0 BEAERO [NH3+][C@H](c1ccns1)[C@H]1CCCS1 ZINC000307456183 352608222 /nfs/dbraw/zinc/60/82/22/352608222.db2.gz DHTDIUASCSJVSK-SVRRBLITSA-N 1 0 200.332 2.039 10 0 BEAERO C[C@H]1[NH2+]CCC[C@]1(O)c1ccsc1Cl ZINC000307461106 352611295 /nfs/dbraw/zinc/61/12/95/352611295.db2.gz FUFNKHKPPUHBLV-GMSGAONNSA-N 1 0 231.748 2.361 10 0 BEAERO C[NH2+]Cc1c(Br)cccc1N(C)C ZINC000307474503 352613906 /nfs/dbraw/zinc/61/39/06/352613906.db2.gz JMTYFGUGUUTBNG-UHFFFAOYSA-N 1 0 243.148 2.235 10 0 BEAERO O=C(Cc1sccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000307540938 352645112 /nfs/dbraw/zinc/64/51/12/352645112.db2.gz WVAFPISBNUFACA-QMMMGPOBSA-N 1 0 229.732 2.265 10 0 BEAERO C[C@H]1CSC[C@H]1NC(=[NH2+])C(C)(C)C ZINC000307542473 352645799 /nfs/dbraw/zinc/64/57/99/352645799.db2.gz QCAFXXKMGIYEOY-JGVFFNPUSA-N 1 0 200.351 2.351 10 0 BEAERO [NH3+]Cc1ccc2ccc(Cl)c(F)c2n1 ZINC000307557249 352650149 /nfs/dbraw/zinc/65/01/49/352650149.db2.gz BHPXDMRPYCGIFB-UHFFFAOYSA-N 1 0 210.639 2.486 10 0 BEAERO [NH3+]Cc1cccc(OC(F)F)c1Cl ZINC000307608701 352667159 /nfs/dbraw/zinc/66/71/59/352667159.db2.gz HCXPNJRJSOWDKE-UHFFFAOYSA-N 1 0 207.607 2.400 10 0 BEAERO C[C@@H]([NH3+])CCc1ccc(Br)o1 ZINC000307605937 352668554 /nfs/dbraw/zinc/66/85/54/352668554.db2.gz ZOYFNNZBNLHVBQ-ZCFIWIBFSA-N 1 0 218.094 2.322 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(c2ncncc2Cl)C1 ZINC000307495164 352625386 /nfs/dbraw/zinc/62/53/86/352625386.db2.gz MAXFLYUPTOTRNS-XCBNKYQSSA-N 1 0 211.696 2.104 10 0 BEAERO CN(C(=[NH2+])NCc1ccccc1)[C@H]1CCSC1 ZINC000307503430 352630396 /nfs/dbraw/zinc/63/03/96/352630396.db2.gz OOKFSLZFEBZJSB-LBPRGKRZSA-N 1 0 249.383 2.148 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCC2(CC2)CC1 ZINC000638755720 352689353 /nfs/dbraw/zinc/68/93/53/352689353.db2.gz FRSCKNPFLXADKQ-VXGBXAGGSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CSC[C@]12[NH2+]C(C)(C)CS2 ZINC000307621309 352691547 /nfs/dbraw/zinc/69/15/47/352691547.db2.gz BVLVBJUWQANWJX-IONNQARKSA-N 1 0 203.376 2.181 10 0 BEAERO CSC1([C@H]2[NH2+][C@@H](C)CS2)CCC1 ZINC000307626771 352707625 /nfs/dbraw/zinc/70/76/25/352707625.db2.gz IALHFJRWSBCCSS-YUMQZZPRSA-N 1 0 203.376 2.323 10 0 BEAERO Cc1cc(C[C@@H]2CSC[C@@H]2[NH3+])cs1 ZINC000307616577 352674966 /nfs/dbraw/zinc/67/49/66/352674966.db2.gz QMEVHCNYRLIFEM-ZJUUUORDSA-N 1 0 213.371 2.289 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000638756346 352686589 /nfs/dbraw/zinc/68/65/89/352686589.db2.gz HHTYAFVJUSKKFT-MFKMUULPSA-N 1 0 248.326 2.014 10 0 BEAERO COc1ccc([C@@H](O)[C@H]([NH3+])CC(C)C)cc1 ZINC000032014647 352736262 /nfs/dbraw/zinc/73/62/62/352736262.db2.gz ZDPDXFMSJLMHEC-CHWSQXEVSA-N 1 0 223.316 2.102 10 0 BEAERO CC(C)N(C)C(=[NH2+])NCc1ccccc1 ZINC000307676802 352754353 /nfs/dbraw/zinc/75/43/53/352754353.db2.gz JSYWVJVDBLNBBS-UHFFFAOYSA-N 1 0 205.305 2.051 10 0 BEAERO CCC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055088791 1172154453 /nfs/dbraw/zinc/15/44/53/1172154453.db2.gz QFWDZQQTTSIXEH-STQMWFEESA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055087703 1172154532 /nfs/dbraw/zinc/15/45/32/1172154532.db2.gz PBFAKTDQQIRYCC-AVGNSLFASA-N 1 0 240.391 2.445 10 0 BEAERO Cn1nc(-c2ccccc2)c2c1CCC[C@@H]2[NH3+] ZINC000072415275 180799326 /nfs/dbraw/zinc/79/93/26/180799326.db2.gz IBCJQVYXDQPOIE-NSHDSACASA-N 1 0 227.311 2.423 10 0 BEAERO [NH3+][C@H]1CCC[C@@](F)(c2cnsc2)C1 ZINC000405072168 352791401 /nfs/dbraw/zinc/79/14/01/352791401.db2.gz HHMYCPQAQWQBHE-IUCAKERBSA-N 1 0 200.282 2.209 10 0 BEAERO C[C@H]1SCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307681838 352805301 /nfs/dbraw/zinc/80/53/01/352805301.db2.gz YXNPUMMXRMEWLX-PWSUYJOCSA-N 1 0 249.383 2.195 10 0 BEAERO C[C@H]1SCC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307681839 352806679 /nfs/dbraw/zinc/80/66/79/352806679.db2.gz YXNPUMMXRMEWLX-ZYHUDNBSSA-N 1 0 249.383 2.195 10 0 BEAERO CCCCN(CC)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055086719 1172155318 /nfs/dbraw/zinc/15/53/18/1172155318.db2.gz SRCNJESZHHOJRY-VXGBXAGGSA-N 1 0 226.364 2.153 10 0 BEAERO C[C@@H]1CC[C@H](OCc2ccccc2)C[NH2+]1 ZINC000307687274 352920497 /nfs/dbraw/zinc/92/04/97/352920497.db2.gz DEBGJUYVFNWVSW-YPMHNXCESA-N 1 0 205.301 2.344 10 0 BEAERO CC(C)CCN(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055090791 1172155016 /nfs/dbraw/zinc/15/50/16/1172155016.db2.gz XIBYUGLHAITPJI-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@@H](C)CO ZINC000122040538 187907910 /nfs/dbraw/zinc/90/79/10/187907910.db2.gz NJRBCRKHZBHPJF-QJPTWQEYSA-N 1 0 239.334 2.363 10 0 BEAERO C[C@](F)(Cc1nccs1)[C@@H]1CC[NH2+]C1 ZINC000306556007 353024240 /nfs/dbraw/zinc/02/42/40/353024240.db2.gz FRNKPZIJXAYOJE-SCZZXKLOSA-N 1 0 214.309 2.023 10 0 BEAERO Cc1cc(OCC[C@H](O)CC[NH3+])ccc1Cl ZINC000041289581 187946611 /nfs/dbraw/zinc/94/66/11/187946611.db2.gz JIEIWIOMTGUBJR-SNVBAGLBSA-N 1 0 243.734 2.127 10 0 BEAERO CC[C@](C)(NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000638857832 353034457 /nfs/dbraw/zinc/03/44/57/353034457.db2.gz IRHYYURLYQKIOI-OSMZGAPFSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)C1(C[NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000638858295 353034529 /nfs/dbraw/zinc/03/45/29/353034529.db2.gz NAXAROWQAPBCQB-NEPJUHHUSA-N 1 0 211.349 2.316 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638858334 353034586 /nfs/dbraw/zinc/03/45/86/353034586.db2.gz NWCGKXQWMZHXBQ-PEBLQZBPSA-N 1 0 223.360 2.316 10 0 BEAERO CC[C@](C)(NC(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000638858793 353035497 /nfs/dbraw/zinc/03/54/97/353035497.db2.gz VYHUXOXSEGWPIV-RISCZKNCSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCCN1C/C(Cl)=C/Cl ZINC000307702779 353010581 /nfs/dbraw/zinc/01/05/81/353010581.db2.gz UUWDCQSTRLVQHV-BVQMJAIZSA-N 1 0 223.147 2.117 10 0 BEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1C[C@H]1C ZINC000307270783 353064735 /nfs/dbraw/zinc/06/47/35/353064735.db2.gz HZLLIIOTWZNTOU-HBNTYKKESA-N 1 0 242.363 2.145 10 0 BEAERO Cc1ccc(OCCC[C@H]2CCCC[NH2+]2)nn1 ZINC000095069137 187974286 /nfs/dbraw/zinc/97/42/86/187974286.db2.gz UOOYEHCBCPIPLQ-GFCCVEGCSA-N 1 0 235.331 2.086 10 0 BEAERO Nc1cccc(SC[C@H]2CCC[NH2+]C2)c1 ZINC000083324058 187949654 /nfs/dbraw/zinc/94/96/54/187949654.db2.gz GZDRXAUWROZAOD-JTQLQIEISA-N 1 0 222.357 2.361 10 0 BEAERO Cc1c(F)cccc1N1CC[NH2+][C@@H](C)CC1 ZINC000044418857 187950654 /nfs/dbraw/zinc/95/06/54/187950654.db2.gz BNAYTKAKBWDSAG-JTQLQIEISA-N 1 0 222.307 2.322 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]1Cc1ccc(Br)o1 ZINC000307375110 353071335 /nfs/dbraw/zinc/07/13/35/353071335.db2.gz UZMMKTJWXCYJKW-HTRCEHHLSA-N 1 0 230.105 2.322 10 0 BEAERO CCC(C)(C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000638864824 353038605 /nfs/dbraw/zinc/03/86/05/353038605.db2.gz BUESEPKXKAHAIZ-GFCCVEGCSA-N 1 0 240.391 2.319 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638865416 353038912 /nfs/dbraw/zinc/03/89/12/353038912.db2.gz GLBCEAXYFQSXNJ-MNOVXSKESA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1CC(F)(F)F ZINC000062618671 187957557 /nfs/dbraw/zinc/95/75/57/187957557.db2.gz WIVGZWYMKXQNIT-NXEZZACHSA-N 1 0 238.297 2.257 10 0 BEAERO CC(C)([NH3+])CN1CCCC[C@@H]1c1nccs1 ZINC000335852133 535197382 /nfs/dbraw/zinc/19/73/82/535197382.db2.gz YJYCPMDQSVRUQL-SNVBAGLBSA-N 1 0 239.388 2.407 10 0 BEAERO CC(C)([NH3+])c1cnc(C(F)(F)F)s1 ZINC000232520585 353106216 /nfs/dbraw/zinc/10/62/16/353106216.db2.gz VVFNJMMUMMSWMT-UHFFFAOYSA-N 1 0 210.224 2.356 10 0 BEAERO CC(C)C[C@@](C)(CN)[NH+]1CCC(C)CC1 ZINC000019807613 188003542 /nfs/dbraw/zinc/00/35/42/188003542.db2.gz WYZWIYNWZWJTLV-ZDUSSCGKSA-N 1 0 212.381 2.482 10 0 BEAERO CC(C)=CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000200871744 188007736 /nfs/dbraw/zinc/00/77/36/188007736.db2.gz NIWYNYWDAWMZMZ-UHFFFAOYSA-N 1 0 219.284 2.471 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccn1C ZINC000267227304 188022772 /nfs/dbraw/zinc/02/27/72/188022772.db2.gz FCNXDQPOAYVXDJ-OCCSQVGLSA-N 1 0 236.359 2.176 10 0 BEAERO COC(=O)[C@@H]1CCCC[N@@H+]1CCC1CCC1 ZINC000398772621 353137734 /nfs/dbraw/zinc/13/77/34/353137734.db2.gz AQPCRTMYEYUKOT-LBPRGKRZSA-N 1 0 225.332 2.204 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ncc(Cl)s1 ZINC000223112252 353137766 /nfs/dbraw/zinc/13/77/66/353137766.db2.gz GMHWUVFYFNPFNG-JKUQZMGJSA-N 1 0 202.710 2.247 10 0 BEAERO C/C=C(\C)c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000278136358 188030221 /nfs/dbraw/zinc/03/02/21/188030221.db2.gz QHQHUIQALDEGHR-HJUGMNLHSA-N 1 0 249.314 2.029 10 0 BEAERO Clc1ccc(CC[C@@H]2COCC[NH2+]2)s1 ZINC000129424381 353118616 /nfs/dbraw/zinc/11/86/16/353118616.db2.gz VQCFMUQPRGIPRG-MRVPVSSYSA-N 1 0 231.748 2.323 10 0 BEAERO COc1ccc([C@@H](C)C[NH2+]C[C@H](C)OC)cc1 ZINC000191147507 188003791 /nfs/dbraw/zinc/00/37/91/188003791.db2.gz NUFGBVHFCAIVRE-RYUDHWBXSA-N 1 0 237.343 2.423 10 0 BEAERO CC(C)(C)C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000050348658 188045878 /nfs/dbraw/zinc/04/58/78/188045878.db2.gz REPWASJSJJBZQE-UHFFFAOYSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1CCCCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134569818 188049684 /nfs/dbraw/zinc/04/96/84/188049684.db2.gz JLORRAGHCALHBX-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)c2nccn21 ZINC000329303891 538108924 /nfs/dbraw/zinc/10/89/24/538108924.db2.gz WZOYEJGEBVSORS-FVCCEPFGSA-N 1 0 249.358 2.030 10 0 BEAERO CC[C@H]1CC[NH2+][C@@H](CP(=O)(OC)OC)C1 ZINC000308937548 538109515 /nfs/dbraw/zinc/10/95/15/538109515.db2.gz QOJDMVRVVSBJHW-VHSXEESVSA-N 1 0 235.264 2.251 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638995820 353238830 /nfs/dbraw/zinc/23/88/30/353238830.db2.gz GGFSZKOFMZWNEE-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO FC(F)(F)c1ccnc([C@@H]2CC[NH2+]C2)c1 ZINC000238512048 180896936 /nfs/dbraw/zinc/89/69/36/180896936.db2.gz HXHFCNMWXXGQHU-SSDOTTSWSA-N 1 0 216.206 2.177 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC000638996131 353239361 /nfs/dbraw/zinc/23/93/61/353239361.db2.gz JOLJXLBYNVKJHF-ZYHUDNBSSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H](CC1CCC1)NC(=O)C1CCC([NH3+])CC1 ZINC000638997815 353240502 /nfs/dbraw/zinc/24/05/02/353240502.db2.gz RUZCYQZCEVUXQM-PKSQDBQZSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCCN1[C@H](C[NH3+])c1ccsc1 ZINC000252194469 363210363 /nfs/dbraw/zinc/21/03/63/363210363.db2.gz SDMAHBJAIMFVAY-MWLCHTKSSA-N 1 0 210.346 2.232 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000084339332 538113774 /nfs/dbraw/zinc/11/37/74/538113774.db2.gz INJUDPZUGLNEBE-JXQTWKCFSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1cc(C(C)C)ncn1 ZINC000070543150 188258578 /nfs/dbraw/zinc/25/85/78/188258578.db2.gz OUKVFBWNVXXVEI-NSHDSACASA-N 1 0 236.363 2.385 10 0 BEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)C(C)C ZINC000121653345 188249176 /nfs/dbraw/zinc/24/91/76/188249176.db2.gz DRNCVDTXRXDXLX-LBPRGKRZSA-N 1 0 243.395 2.013 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CSC[C@@H]1C ZINC000304555653 188250975 /nfs/dbraw/zinc/25/09/75/188250975.db2.gz VCTTVTUUBPDLPU-XQQFMLRXSA-N 1 0 244.448 2.304 10 0 BEAERO C1OCC1[NH2+][C@H]1CCCCC12CCCC2 ZINC000368178967 188253746 /nfs/dbraw/zinc/25/37/46/188253746.db2.gz UXEDNZXVAXDCKC-LBPRGKRZSA-N 1 0 209.333 2.478 10 0 BEAERO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000368583864 188253854 /nfs/dbraw/zinc/25/38/54/188253854.db2.gz LGYKBZYDHABGPC-LPWJVIDDSA-N 1 0 211.349 2.151 10 0 BEAERO C1OCC1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000368178966 188254531 /nfs/dbraw/zinc/25/45/31/188254531.db2.gz UXEDNZXVAXDCKC-GFCCVEGCSA-N 1 0 209.333 2.478 10 0 BEAERO CC(C)C[NH2+][C@@H](C)[C@H](O)c1cccs1 ZINC000003625667 188269681 /nfs/dbraw/zinc/26/96/81/188269681.db2.gz UQQZLAWWRVNBKF-ONGXEEELSA-N 1 0 213.346 2.416 10 0 BEAERO COc1cc(C)cc(C)c1[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000082613203 188270245 /nfs/dbraw/zinc/27/02/45/188270245.db2.gz JQTHSKQQILLNOV-WFASDCNBSA-N 1 0 249.354 2.345 10 0 BEAERO C[C@@H]1CO[C@@H](c2ccc(F)cc2F)C[NH2+]1 ZINC000036673484 188278589 /nfs/dbraw/zinc/27/85/89/188278589.db2.gz LTDZVKIZVJJDGO-RDDDGLTNSA-N 1 0 213.227 2.014 10 0 BEAERO CC(C)[C@@H]([NH3+])c1nc(-c2ccco2)c[nH]1 ZINC000036877036 188278798 /nfs/dbraw/zinc/27/87/98/188278798.db2.gz YOVAKYQKRMWEHW-SNVBAGLBSA-N 1 0 205.261 2.326 10 0 BEAERO Cc1nn(Cc2cccs2)c(C)c1C[NH3+] ZINC000036868278 188278878 /nfs/dbraw/zinc/27/88/78/188278878.db2.gz JRWKSONAZBHYQG-UHFFFAOYSA-N 1 0 221.329 2.068 10 0 BEAERO NC(=S)c1cccc(C[NH+]2CCCCC2)c1 ZINC000019435301 188280323 /nfs/dbraw/zinc/28/03/23/188280323.db2.gz HHEVHOIZDJFICO-UHFFFAOYSA-N 1 0 234.368 2.307 10 0 BEAERO COc1ccc(Cl)cc1NC(=O)C(C)(C)[NH3+] ZINC000019672585 188281947 /nfs/dbraw/zinc/28/19/47/188281947.db2.gz LQPYENNUJFWRHE-UHFFFAOYSA-N 1 0 242.706 2.024 10 0 BEAERO [NH3+]Cc1ccccc1[C@H](O)c1ccccc1 ZINC000039216968 188283083 /nfs/dbraw/zinc/28/30/83/188283083.db2.gz ORINBWURJJMNPP-CQSZACIVSA-N 1 0 213.280 2.227 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](c2ccc(Cl)s2)O1 ZINC000035286466 188284955 /nfs/dbraw/zinc/28/49/55/188284955.db2.gz SHDWLCJZQZRVPB-NKWVEPMBSA-N 1 0 217.721 2.451 10 0 BEAERO CC(C)[N@H+](CCN(C)C)Cc1cccc(N)c1 ZINC000035365561 188285583 /nfs/dbraw/zinc/28/55/83/188285583.db2.gz YGCOXIIXEMSNEI-UHFFFAOYSA-N 1 0 235.375 2.041 10 0 BEAERO CC(C)[C@H](C)N(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000036788084 188286301 /nfs/dbraw/zinc/28/63/01/188286301.db2.gz ZFJSYIQBGFTXNQ-NWDGAFQWSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)Cc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1 ZINC000071510681 188287171 /nfs/dbraw/zinc/28/71/71/188287171.db2.gz HZEJXYSZCXVFGJ-MFKMUULPSA-N 1 0 207.317 2.266 10 0 BEAERO CC(C)C[C@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000037264853 188287185 /nfs/dbraw/zinc/28/71/85/188287185.db2.gz HBKCEIWNRAEEPA-ZDUSSCGKSA-N 1 0 240.391 2.413 10 0 BEAERO COc1ccc(CNc2cc[nH+]cc2)cc1N ZINC000037905989 188289269 /nfs/dbraw/zinc/28/92/69/188289269.db2.gz MHHGUJUROAABTJ-UHFFFAOYSA-N 1 0 229.283 2.285 10 0 BEAERO CC(C)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000077334355 188290699 /nfs/dbraw/zinc/29/06/99/188290699.db2.gz MJDVKYSMXXRNOR-ZDUSSCGKSA-N 1 0 222.307 2.180 10 0 BEAERO CC(C)[N@@H+]1CCN[C@@H](c2ccccc2F)C1 ZINC000077334364 188290976 /nfs/dbraw/zinc/29/09/76/188290976.db2.gz PHVFZRCSTVRTNJ-CYBMUJFWSA-N 1 0 222.307 2.180 10 0 BEAERO CC(C)N(CCO)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000042479751 188293798 /nfs/dbraw/zinc/29/37/98/188293798.db2.gz DEOVCMVUNCKNJU-SNVBAGLBSA-N 1 0 240.322 2.053 10 0 BEAERO Cc1cc(C)cc(C(=O)C[NH2+]C2CC2)c1 ZINC000082531948 188294262 /nfs/dbraw/zinc/29/42/62/188294262.db2.gz RYAOGJRIKXKBBE-UHFFFAOYSA-N 1 0 203.285 2.238 10 0 BEAERO Cc1ccc2oc([C@@H](O)CC[NH3+])cc2c1 ZINC000082929758 188296002 /nfs/dbraw/zinc/29/60/02/188296002.db2.gz XXGUXSYPDSFKSJ-JTQLQIEISA-N 1 0 205.257 2.123 10 0 BEAERO COc1ccc([C@H](CCC[NH3+])OC)cc1F ZINC000049820806 188298905 /nfs/dbraw/zinc/29/89/05/188298905.db2.gz NSUPQFJLBVLBNY-NSHDSACASA-N 1 0 227.279 2.261 10 0 BEAERO CC(C)(C[NH3+])CCOc1ccc2c(c1)OCO2 ZINC000057714094 188301645 /nfs/dbraw/zinc/30/16/45/188301645.db2.gz SQYHSNQGEFVFQA-UHFFFAOYSA-N 1 0 237.299 2.169 10 0 BEAERO CCOCCC1(C[NH2+]CC(C)C)CCOCC1 ZINC000061674558 188302552 /nfs/dbraw/zinc/30/25/52/188302552.db2.gz XXNKKLGLPHWOFR-UHFFFAOYSA-N 1 0 243.391 2.455 10 0 BEAERO C[NH2+]Cc1ccc(N2CCC(C)(C)CC2)nc1 ZINC000061822833 188302676 /nfs/dbraw/zinc/30/26/76/188302676.db2.gz JFEPQNAPPJLSDH-UHFFFAOYSA-N 1 0 233.359 2.427 10 0 BEAERO Cc1cccc(Oc2ccnc(C(N)=[NH2+])c2)c1 ZINC000061814462 188302790 /nfs/dbraw/zinc/30/27/90/188302790.db2.gz CSPAYXHZNOZBTR-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO CC(C)[C@H](C[NH2+][C@H](C)Cc1ccco1)N(C)C ZINC000062769744 188303139 /nfs/dbraw/zinc/30/31/39/188303139.db2.gz YBWKLUMNEQEUHF-OCCSQVGLSA-N 1 0 238.375 2.386 10 0 BEAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)Cc1ccco1 ZINC000062772000 188303192 /nfs/dbraw/zinc/30/31/92/188303192.db2.gz UHMDHZVSIAERTE-JSGCOSHPSA-N 1 0 238.375 2.386 10 0 BEAERO CC(C)C[C@H]1CN[C@H](c2ccccc2)C[NH2+]1 ZINC000062608979 188303490 /nfs/dbraw/zinc/30/34/90/188303490.db2.gz PGCSIZLIAWGJLF-KBPBESRZSA-N 1 0 218.344 2.335 10 0 BEAERO C[C@@H]1C[C@@H](c2ccc3c(c2)CCN3C)C[NH2+]1 ZINC000070586700 188304861 /nfs/dbraw/zinc/30/48/61/188304861.db2.gz ANIRPVXXTYXSKE-ZWNOBZJWSA-N 1 0 216.328 2.144 10 0 BEAERO CC(C)COc1ccc(Cl)c(C(N)=[NH2+])n1 ZINC000071186733 188305992 /nfs/dbraw/zinc/30/59/92/188305992.db2.gz OWDNLMKGVDBNDR-UHFFFAOYSA-N 1 0 227.695 2.054 10 0 BEAERO C([NH2+]CC1CCCCCC1)[C@@H]1[C@H]2COC[C@H]21 ZINC000309708772 188323709 /nfs/dbraw/zinc/32/37/09/188323709.db2.gz WIQFYWLMTOSVRT-ZSOGYDGISA-N 1 0 223.360 2.439 10 0 BEAERO CC(C)[C@H]([NH3+])c1nc2cccnc2s1 ZINC000075854192 188309093 /nfs/dbraw/zinc/30/90/93/188309093.db2.gz DXHGRFPDMGJDDI-QMMMGPOBSA-N 1 0 207.302 2.347 10 0 BEAERO Cc1ccccc1[C@@H](CC[NH3+])C(=O)NCC(C)C ZINC000076634100 188311141 /nfs/dbraw/zinc/31/11/41/188311141.db2.gz FDBAANBUJQJARU-CQSZACIVSA-N 1 0 248.370 2.200 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000336741978 180936537 /nfs/dbraw/zinc/93/65/37/180936537.db2.gz WDGGRNIIJIFDSB-TUAOUCFPSA-N 1 0 215.312 2.283 10 0 BEAERO CC[C@@H]1CN(Cc2ccccc2F)[C@H](C)C[NH2+]1 ZINC000083363944 188316363 /nfs/dbraw/zinc/31/63/63/188316363.db2.gz JQHYNQFPPQSLQU-DGCLKSJQSA-N 1 0 236.334 2.398 10 0 BEAERO Cc1ccc(C[N@H+](C)CC2CCOCC2)cc1N ZINC000104202488 188324385 /nfs/dbraw/zinc/32/43/85/188324385.db2.gz YUXPJCYYLWXEJX-UHFFFAOYSA-N 1 0 248.370 2.436 10 0 BEAERO [NH3+]Cc1cnc(-c2ncc(Cl)s2)s1 ZINC000223211979 353359918 /nfs/dbraw/zinc/35/99/18/353359918.db2.gz PZTIXNLZJXPGCI-UHFFFAOYSA-N 1 0 231.733 2.379 10 0 BEAERO CC[n+]1ccc(-c2nc3cc(N)ccc3o2)cc1 ZINC000226777817 188331160 /nfs/dbraw/zinc/33/11/60/188331160.db2.gz PNDJFVDYXQDUIS-UHFFFAOYSA-N 1 0 240.286 2.384 10 0 BEAERO Cc1cccc(Br)c1OCC[NH3+] ZINC000083357111 188356326 /nfs/dbraw/zinc/35/63/26/188356326.db2.gz JFUCSZXWKPUPHA-UHFFFAOYSA-N 1 0 230.105 2.095 10 0 BEAERO Cc1[nH+]ccc(N2CCC[C@H]2CO)c1Cl ZINC000308848625 188341760 /nfs/dbraw/zinc/34/17/60/188341760.db2.gz MCVRTRQJGLRUPY-VIFPVBQESA-N 1 0 226.707 2.005 10 0 BEAERO C([NH2+]C[C@@H]1CCSC1)[C@@H]1CC12CCOCC2 ZINC000309339263 188344736 /nfs/dbraw/zinc/34/47/36/188344736.db2.gz JSVQMZFOXYYQOU-RYUDHWBXSA-N 1 0 241.400 2.146 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000336746237 188346529 /nfs/dbraw/zinc/34/65/29/188346529.db2.gz BSBDLEFAMGIKTJ-RWMBFGLXSA-N 1 0 212.381 2.208 10 0 BEAERO CC(C)COc1ccc(CC(N)=[NH2+])cc1 ZINC000019474404 188349910 /nfs/dbraw/zinc/34/99/10/188349910.db2.gz AQGNYIARZQUWRC-UHFFFAOYSA-N 1 0 206.289 2.200 10 0 BEAERO CC(C)(C)c1ccc([C@@H]([NH3+])CCO)cc1 ZINC000019784054 188350511 /nfs/dbraw/zinc/35/05/11/188350511.db2.gz MJDGCGWYWYSKMH-LBPRGKRZSA-N 1 0 207.317 2.366 10 0 BEAERO CC(C)(O)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336770942 188352779 /nfs/dbraw/zinc/35/27/79/188352779.db2.gz XDFPIURNJWQMDK-GHMZBOCLSA-N 1 0 217.328 2.265 10 0 BEAERO CC(C)c1nccc(C[NH2+]C(C)(C)C)n1 ZINC000054792104 188355074 /nfs/dbraw/zinc/35/50/74/188355074.db2.gz LQODGMKOZWTYHK-UHFFFAOYSA-N 1 0 207.321 2.488 10 0 BEAERO COc1ccc([C@H](C)[C@H](C)[NH3+])cc1OC ZINC000034122163 188359510 /nfs/dbraw/zinc/35/95/10/188359510.db2.gz REDIVKCRDWMSQC-BDAKNGLRSA-N 1 0 209.289 2.155 10 0 BEAERO Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000230702648 188363652 /nfs/dbraw/zinc/36/36/52/188363652.db2.gz HIZFDSQVIVGARC-BXUZGUMPSA-N 1 0 237.318 2.385 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)c1cccc(F)c1 ZINC000071511524 188363760 /nfs/dbraw/zinc/36/37/60/188363760.db2.gz XRXBPYWURDNFRW-NSHDSACASA-N 1 0 209.264 2.382 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000309364184 538117756 /nfs/dbraw/zinc/11/77/56/538117756.db2.gz DLAPGVFMGNHIHX-NEPJUHHUSA-N 1 0 226.364 2.010 10 0 BEAERO Fc1ccc(CO[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051782438 180971296 /nfs/dbraw/zinc/97/12/96/180971296.db2.gz YKJFAAOBFHHORW-SNVBAGLBSA-N 1 0 229.682 2.358 10 0 BEAERO Fc1ccc(C[C@@H]2C[NH2+]CCS2)cc1 ZINC000071518275 180971999 /nfs/dbraw/zinc/97/19/99/180971999.db2.gz UQLFXNBMDTXLBM-LLVKDONJSA-N 1 0 211.305 2.073 10 0 BEAERO CC[C@@H]1CCSC(N[C@@H]2CCSC2)=[NH+]1 ZINC000231359885 353596153 /nfs/dbraw/zinc/59/61/53/353596153.db2.gz VSYYQRVZJXNFKU-RKDXNWHRSA-N 1 0 230.402 2.353 10 0 BEAERO Fc1cccc(-c2cc(C[NH2+]C3CC3)[nH]n2)c1 ZINC000050479250 180993279 /nfs/dbraw/zinc/99/32/79/180993279.db2.gz FOHOEIZBLWRVGL-UHFFFAOYSA-N 1 0 231.274 2.468 10 0 BEAERO Cc1cc(NCC[NH3+])cc(C)c1Br ZINC000232030915 353682969 /nfs/dbraw/zinc/68/29/69/353682969.db2.gz UZJSUCZJSUEURY-UHFFFAOYSA-N 1 0 243.148 2.437 10 0 BEAERO [NH3+][C@@H](C1CC1)[C@H]1Cc2ccccc2S1 ZINC000097239555 353715127 /nfs/dbraw/zinc/71/51/27/353715127.db2.gz CBZGLGRVEPMWKH-NEPJUHHUSA-N 1 0 205.326 2.441 10 0 BEAERO FC(F)(F)COc1ccc2c(c1)C[NH2+]C2 ZINC000147489165 353717977 /nfs/dbraw/zinc/71/79/77/353717977.db2.gz DOOIZTNNUVWWQT-UHFFFAOYSA-N 1 0 217.190 2.231 10 0 BEAERO C[N@H+]([C@@H]1CCSC1)[C@H]1CCCCCC1=O ZINC000252439831 363249431 /nfs/dbraw/zinc/24/94/31/363249431.db2.gz TWJLVFWRYMETTG-MNOVXSKESA-N 1 0 227.373 2.326 10 0 BEAERO Cc1cc(Br)c(F)cc1NC(N)=[NH2+] ZINC000160223304 353784202 /nfs/dbraw/zinc/78/42/02/353784202.db2.gz KJCNUPNMMJGOMZ-UHFFFAOYSA-N 1 0 246.083 2.202 10 0 BEAERO C[C@H]1CC[C@H](Nc2cccc(F)c2C#N)C[NH2+]1 ZINC000399047526 353741344 /nfs/dbraw/zinc/74/13/44/353741344.db2.gz VFFKRECICIBIDR-UWVGGRQHSA-N 1 0 233.290 2.250 10 0 BEAERO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000399049692 353745696 /nfs/dbraw/zinc/74/56/96/353745696.db2.gz WITKIVIFZYEEFJ-QWRGUYRKSA-N 1 0 249.314 2.456 10 0 BEAERO Fc1ccccc1CC[NH2+]C[C@@H]1CCCO1 ZINC000020047591 181011647 /nfs/dbraw/zinc/01/16/47/181011647.db2.gz TYKXOKUYJZKTML-LBPRGKRZSA-N 1 0 223.291 2.137 10 0 BEAERO COC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000343540898 353917492 /nfs/dbraw/zinc/91/74/92/353917492.db2.gz WYISVOIOIITWLW-XJFOESAGSA-N 1 0 243.391 2.451 10 0 BEAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCO1 ZINC000343528690 353928768 /nfs/dbraw/zinc/92/87/68/353928768.db2.gz BBLUSJHDYLWYBV-BYNQJWBRSA-N 1 0 241.375 2.347 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCOCC2)C[C@H](C)O1 ZINC000343626440 353947536 /nfs/dbraw/zinc/94/75/36/353947536.db2.gz XECGMWGUDBBUKN-XJFOESAGSA-N 1 0 241.375 2.349 10 0 BEAERO COCCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230643747 363315783 /nfs/dbraw/zinc/31/57/83/363315783.db2.gz WYROMTGHUYMCDR-JTQLQIEISA-N 1 0 212.293 2.060 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@H]1c1ccc(Br)cn1 ZINC000301031400 363356995 /nfs/dbraw/zinc/35/69/95/363356995.db2.gz UZIRYZKAKKHZHY-RKDXNWHRSA-N 1 0 241.132 2.295 10 0 BEAERO CCC[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113229783 354295145 /nfs/dbraw/zinc/29/51/45/354295145.db2.gz XGBNUFBLPAXUHJ-AVGNSLFASA-N 1 0 238.375 2.118 10 0 BEAERO Cc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)nc1C ZINC000578004873 366172867 /nfs/dbraw/zinc/17/28/67/366172867.db2.gz CRBPHMYLOQRABW-UONOGXRCSA-N 1 0 247.386 2.176 10 0 BEAERO COc1ccc([C@H]([NH3+])CF)cc1Br ZINC000238349193 259454323 /nfs/dbraw/zinc/45/43/23/259454323.db2.gz DUZLNEWFKVCWJF-MRVPVSSYSA-N 1 0 248.095 2.427 10 0 BEAERO COC1(C[N@@H+]2C[C@H](C)C[C@H](O)C2)CCCCC1 ZINC000334735995 354536615 /nfs/dbraw/zinc/53/66/15/354536615.db2.gz ZVDGYACZYJXNLT-OLZOCXBDSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1cccc(C)c1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000335108190 354693927 /nfs/dbraw/zinc/69/39/27/354693927.db2.gz HLTWZOWPSNIEJJ-LBPRGKRZSA-N 1 0 247.342 2.129 10 0 BEAERO CCOc1cc(Br)ccc1C(N)=[NH2+] ZINC000166040409 354876257 /nfs/dbraw/zinc/87/62/57/354876257.db2.gz VCKIBCIIDYLWEC-UHFFFAOYSA-N 1 0 243.104 2.132 10 0 BEAERO CSCCCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000235170648 363438943 /nfs/dbraw/zinc/43/89/43/363438943.db2.gz FVEWPZYPGZETRP-GFCCVEGCSA-N 1 0 230.421 2.251 10 0 BEAERO C1CC2(C1)C[N@H+](C1CCCC1)[C@@H]1COC[C@@H]12 ZINC000335162074 354914611 /nfs/dbraw/zinc/91/46/11/354914611.db2.gz NLNSIHPTYNHVCU-QWHCGFSZSA-N 1 0 221.344 2.430 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000040502379 358493988 /nfs/dbraw/zinc/49/39/88/358493988.db2.gz POVYAURBDUCNTH-ZDUSSCGKSA-N 1 0 236.334 2.400 10 0 BEAERO CCCCC[C@@H]([NH2+]C1CCCCC1)C(N)=O ZINC000037969611 168740747 /nfs/dbraw/zinc/74/07/47/168740747.db2.gz UYBYLRPUKIUWOX-GFCCVEGCSA-N 1 0 226.364 2.343 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000040502380 358494179 /nfs/dbraw/zinc/49/41/79/358494179.db2.gz POVYAURBDUCNTH-CYBMUJFWSA-N 1 0 236.334 2.400 10 0 BEAERO [NH2+]=C(C1CCCCC1)N1CCN(C2CC2)CC1 ZINC000062993897 181185071 /nfs/dbraw/zinc/18/50/71/181185071.db2.gz WQKIDSCOCRXVLK-UHFFFAOYSA-N 1 0 235.375 2.324 10 0 BEAERO [NH2+]=C(Cc1ccccn1)N1CCCCC1 ZINC000062995447 181185699 /nfs/dbraw/zinc/18/56/99/181185699.db2.gz VXHITRNJDQUYBP-UHFFFAOYSA-N 1 0 203.289 2.087 10 0 BEAERO NC(=[NH2+])NC(c1ccccc1)c1ccccc1 ZINC000002016701 181189499 /nfs/dbraw/zinc/18/94/99/181189499.db2.gz BODVXTIKMUAJII-UHFFFAOYSA-N 1 0 225.295 2.259 10 0 BEAERO NC(=[NH2+])c1cc(Cl)cc2cccnc21 ZINC000082768793 181193514 /nfs/dbraw/zinc/19/35/14/181193514.db2.gz SKDKHZPTEYGMTK-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1c(F)cccc1OC1CCCC1 ZINC000036307575 181192814 /nfs/dbraw/zinc/19/28/14/181192814.db2.gz FLHUOLDHGLGJJZ-UHFFFAOYSA-N 1 0 222.263 2.431 10 0 BEAERO NC(=[NH2+])c1cccc(-c2ccc(F)cc2F)n1 ZINC000071186741 181194949 /nfs/dbraw/zinc/19/49/49/181194949.db2.gz CKTLWKLFMVHFIQ-UHFFFAOYSA-N 1 0 233.221 2.311 10 0 BEAERO NC(=[NH2+])c1cccc(COC[C@H]2CCCCO2)c1 ZINC000019511800 181195777 /nfs/dbraw/zinc/19/57/77/181195777.db2.gz QUDINDMFXFMGAH-CYBMUJFWSA-N 1 0 248.326 2.056 10 0 BEAERO NC(=[NH2+])c1ccccc1OC1CCCC1 ZINC000019513518 181196004 /nfs/dbraw/zinc/19/60/04/181196004.db2.gz FDMFIYZEBGRQRR-UHFFFAOYSA-N 1 0 204.273 2.292 10 0 BEAERO NC(=[NH2+])c1ncccc1COCC1CCCCC1 ZINC000061658875 181198012 /nfs/dbraw/zinc/19/80/12/181198012.db2.gz CIYHEKOJVDDUGR-UHFFFAOYSA-N 1 0 247.342 2.463 10 0 BEAERO NC(=[NH2+])c1ccnc(Oc2cccc(F)c2)c1 ZINC000019503211 181197279 /nfs/dbraw/zinc/19/72/79/181197279.db2.gz AXTWWCXDLWVPND-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO [NH2+]=C(Nc1ccccc1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000249250343 181200619 /nfs/dbraw/zinc/20/06/19/181200619.db2.gz BYKIUHWSUIJEFJ-UPJWGTAASA-N 1 0 245.326 2.190 10 0 BEAERO CC[C@H]1C[NH2+]C(C)(C)CN1C/C=C\Cl ZINC000308421825 355567310 /nfs/dbraw/zinc/56/73/10/355567310.db2.gz OVYIOUFGEVCANS-OMMCCPJFSA-N 1 0 216.756 2.201 10 0 BEAERO [NH2+]=C(c1ccccc1)N1CCO[C@H]2CCC[C@@H]21 ZINC000062991767 181206377 /nfs/dbraw/zinc/20/63/77/181206377.db2.gz AXLIDKIPDNEKFO-STQMWFEESA-N 1 0 230.311 2.265 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC([NH3+])CCC1 ZINC000146720462 355763533 /nfs/dbraw/zinc/76/35/33/355763533.db2.gz HBJHSGVIYJXPJR-UHFFFAOYSA-N 1 0 228.336 2.125 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccoc1 ZINC000227301196 491084510 /nfs/dbraw/zinc/08/45/10/491084510.db2.gz ZOIJDNSPYHECRJ-ZMLRMANQSA-N 1 0 209.289 2.234 10 0 BEAERO CCN1CC[C@H]([NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000389188446 355778925 /nfs/dbraw/zinc/77/89/25/355778925.db2.gz TYFWBTQULKTCDL-UPJWGTAASA-N 1 0 224.392 2.495 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000399260168 355873809 /nfs/dbraw/zinc/87/38/09/355873809.db2.gz PJNKEPQGVRJQGP-GXSJLCMTSA-N 1 0 235.287 2.147 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000085011006 355911310 /nfs/dbraw/zinc/91/13/10/355911310.db2.gz MBCSAIRGXAMVEJ-DCAQKATOSA-N 1 0 226.364 2.007 10 0 BEAERO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399297809 355921458 /nfs/dbraw/zinc/92/14/58/355921458.db2.gz NZWAIOXLPBEFAY-WFASDCNBSA-N 1 0 244.338 2.212 10 0 BEAERO C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000216363758 355977064 /nfs/dbraw/zinc/97/70/64/355977064.db2.gz YDIKTWLMHKGHRG-MJBXVCDLSA-N 1 0 240.391 2.018 10 0 BEAERO C[C@@H](C(=O)Nc1cccc2c1C[NH2+]CC2)C1CC1 ZINC000167366273 355985495 /nfs/dbraw/zinc/98/54/95/355985495.db2.gz UYIBSVIKURSUPW-SNVBAGLBSA-N 1 0 244.338 2.317 10 0 BEAERO CC[N@@H+]1CC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000389287446 355956998 /nfs/dbraw/zinc/95/69/98/355956998.db2.gz WKYVVVVXQLGPHF-SECBINFHSA-N 1 0 248.355 2.197 10 0 BEAERO NC(=O)CCC[NH2+]Cc1csc2ccccc12 ZINC000054463507 181222710 /nfs/dbraw/zinc/22/27/10/181222710.db2.gz MGIHVOZRGXOSNX-UHFFFAOYSA-N 1 0 248.351 2.256 10 0 BEAERO NC(=O)CC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000037483926 181226919 /nfs/dbraw/zinc/22/69/19/181226919.db2.gz ZYARZEFMXKVZRK-SECBINFHSA-N 1 0 247.125 2.259 10 0 BEAERO C[C@H]1CCN(C)CC[N@@H+]1CC1(C)CCC1 ZINC000336138171 134096587 /nfs/dbraw/zinc/09/65/87/134096587.db2.gz FBRLXMNIFGIXMP-LBPRGKRZSA-N 1 0 210.365 2.203 10 0 BEAERO CCCCN(C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000126589566 168762083 /nfs/dbraw/zinc/76/20/83/168762083.db2.gz BKQLFPARLBSANY-GFCCVEGCSA-N 1 0 243.395 2.158 10 0 BEAERO Cc1ccccc1C(=O)[C@](C)([NH3+])C1CC1 ZINC000168584033 356426692 /nfs/dbraw/zinc/42/66/92/356426692.db2.gz ZCRPHPLSLQUVNJ-CYBMUJFWSA-N 1 0 203.285 2.305 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOCC1CCCC1 ZINC000421028835 192308872 /nfs/dbraw/zinc/30/88/72/192308872.db2.gz UQTWQVAUNVDPPV-JSGCOSHPSA-N 1 0 241.375 2.038 10 0 BEAERO O[C@H]([C@H]1CCC[N@@H+](C2CCC2)C1)C(F)(F)F ZINC000336215226 134136103 /nfs/dbraw/zinc/13/61/03/134136103.db2.gz MUULAJOEQHHKRI-WCBMZHEXSA-N 1 0 237.265 2.174 10 0 BEAERO CCC[C@@H](C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261671023 535324964 /nfs/dbraw/zinc/32/49/64/535324964.db2.gz AEIVCRUEBPPDLS-NEPJUHHUSA-N 1 0 240.391 2.399 10 0 BEAERO CCC[NH2+]Cc1nc(CN(C)CC)cs1 ZINC000052445721 538470485 /nfs/dbraw/zinc/47/04/85/538470485.db2.gz SWCOQKZHUPJDAC-UHFFFAOYSA-N 1 0 227.377 2.094 10 0 BEAERO CCN(C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052445779 538470500 /nfs/dbraw/zinc/47/05/00/538470500.db2.gz QWNLKKVEPKJYNU-UHFFFAOYSA-N 1 0 241.404 2.340 10 0 BEAERO COC(C)(C)C[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000162926894 202104767 /nfs/dbraw/zinc/10/47/67/202104767.db2.gz ICFSEKXPCIAOOV-JTQLQIEISA-N 1 0 239.363 2.022 10 0 BEAERO [NH3+]C1(c2ccc(Cl)cc2Cl)CC(O)C1 ZINC000675058419 538481426 /nfs/dbraw/zinc/48/14/26/538481426.db2.gz FBNJYZWCXHHEIT-UHFFFAOYSA-N 1 0 232.110 2.302 10 0 BEAERO O=Cc1ccc(C=C2CC[NH2+]CC2)cc1F ZINC000675051367 538474520 /nfs/dbraw/zinc/47/45/20/538474520.db2.gz IGMLFLUALHKCNM-UHFFFAOYSA-N 1 0 219.259 2.405 10 0 BEAERO CC(C)[NH2+]CCc1csc(-c2ccnnc2)n1 ZINC000675051567 538474685 /nfs/dbraw/zinc/47/46/85/538474685.db2.gz VMHUWQLPRLETFG-UHFFFAOYSA-N 1 0 248.355 2.141 10 0 BEAERO CC1(C)CCN(CC23CCC(CC2)[NH2+]3)CC1 ZINC000675055908 538476801 /nfs/dbraw/zinc/47/68/01/538476801.db2.gz CVEBXWAUWLYJET-UHFFFAOYSA-N 1 0 222.376 2.393 10 0 BEAERO C[C@@H]1CCCN(CC23CCC(CC2)[NH2+]3)[C@@H]1C ZINC000675056024 538476853 /nfs/dbraw/zinc/47/68/53/538476853.db2.gz IJJZVLHCRWUGLT-IWMBGFJWSA-N 1 0 222.376 2.391 10 0 BEAERO Cc1cc(NCC[C@@H]2CCCO2)cc[nH+]1 ZINC000167625448 134153122 /nfs/dbraw/zinc/15/31/22/134153122.db2.gz JQHALUJJZPTUFM-LBPRGKRZSA-N 1 0 206.289 2.371 10 0 BEAERO Cc1ccc([C@H]2CC[C@H](C[NH3+])OC2)cc1 ZINC000675060990 538487237 /nfs/dbraw/zinc/48/72/37/538487237.db2.gz UKUVAMIRLQHHIS-QWHCGFSZSA-N 1 0 205.301 2.216 10 0 BEAERO C[NH+](C)CCOc1ccc(C=O)c(Cl)c1 ZINC000090669237 363552789 /nfs/dbraw/zinc/55/27/89/363552789.db2.gz ILJLLQWHRGTMOY-UHFFFAOYSA-N 1 0 227.691 2.093 10 0 BEAERO C[C@@H]([NH3+])[C@H]1COc2ccc(Cl)c(F)c2C1 ZINC000675063480 538490189 /nfs/dbraw/zinc/49/01/89/538490189.db2.gz FWIBTHZVCHTERR-RNFRBKRXSA-N 1 0 229.682 2.377 10 0 BEAERO CCc1cn2c(n1)[C@H](C(C)C)[NH2+]CCC2 ZINC000675067343 538493696 /nfs/dbraw/zinc/49/36/96/538493696.db2.gz AMEVDHZMTGFMFR-NSHDSACASA-N 1 0 207.321 2.136 10 0 BEAERO CCCC[C@@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675067829 538494983 /nfs/dbraw/zinc/49/49/83/538494983.db2.gz JYHZLFCZKAMORJ-NSHDSACASA-N 1 0 207.321 2.416 10 0 BEAERO CC[C@H](C)[C@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675067779 538495376 /nfs/dbraw/zinc/49/53/76/538495376.db2.gz JKKRPTPXWIHLBU-GXSJLCMTSA-N 1 0 207.321 2.272 10 0 BEAERO CCc1cn2c(n1)[C@@H](C1CCC1)[NH2+]CCC2 ZINC000675067873 538495667 /nfs/dbraw/zinc/49/56/67/538495667.db2.gz KONMKWVGYSEZMU-GFCCVEGCSA-N 1 0 219.332 2.280 10 0 BEAERO Cc1cn2c(n1)[C@@H](C(C)(C)C)[NH2+]CCC2 ZINC000675068206 538495730 /nfs/dbraw/zinc/49/57/30/538495730.db2.gz NPXNHZHRIJRYJA-JTQLQIEISA-N 1 0 207.321 2.272 10 0 BEAERO CCCNC(=O)NCCCC1([NH3+])CCCCC1 ZINC000675072623 538503160 /nfs/dbraw/zinc/50/31/60/538503160.db2.gz AXIKQRBLCQFYJM-UHFFFAOYSA-N 1 0 241.379 2.137 10 0 BEAERO Cc1cc([C@@H]2CC[NH2+]C2)c(C)cc1C=O ZINC000675072375 538503374 /nfs/dbraw/zinc/50/33/74/538503374.db2.gz DYFVYMWVTWZOLV-LLVKDONJSA-N 1 0 203.285 2.193 10 0 BEAERO O[C@H]1C=C(CCC2=CCCCC2)C[NH2+]C1 ZINC000675076392 538511528 /nfs/dbraw/zinc/51/15/28/538511528.db2.gz CINYXPSKQLPUNY-ZDUSSCGKSA-N 1 0 207.317 2.158 10 0 BEAERO C[C@H](C(=O)Nc1nc(C[NH3+])cs1)C(C)(C)C ZINC000675073638 538506044 /nfs/dbraw/zinc/50/60/44/538506044.db2.gz RHHAEYXLSZZBPG-SSDOTTSWSA-N 1 0 241.360 2.223 10 0 BEAERO CC(C)C(=O)CCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000675075289 538509094 /nfs/dbraw/zinc/50/90/94/538509094.db2.gz KQGSMYABJPCDHL-CYBMUJFWSA-N 1 0 240.391 2.018 10 0 BEAERO CC[N@@H+]1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000389428901 356667865 /nfs/dbraw/zinc/66/78/65/356667865.db2.gz XOVVVAUBRTVVSQ-LLVKDONJSA-N 1 0 242.326 2.136 10 0 BEAERO CC(C)C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675078825 538515835 /nfs/dbraw/zinc/51/58/35/538515835.db2.gz UHFOFBAYDIRUBY-LLVKDONJSA-N 1 0 240.347 2.147 10 0 BEAERO CCC(O)(CC)C[N@@H+]1CCSC(C)(C)C1 ZINC000163022143 202146865 /nfs/dbraw/zinc/14/68/65/202146865.db2.gz HINPERYRQGEOQV-UHFFFAOYSA-N 1 0 231.405 2.365 10 0 BEAERO COc1ccc([C@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000675082640 538523452 /nfs/dbraw/zinc/52/34/52/538523452.db2.gz RNRNPNYBVVKFSV-VHSXEESVSA-N 1 0 225.263 2.076 10 0 BEAERO CC(C)c1nn(C)cc1-c1c[nH+]ccc1N ZINC000127008208 538538272 /nfs/dbraw/zinc/53/82/72/538538272.db2.gz WZIGUILWIGGYRQ-UHFFFAOYSA-N 1 0 216.288 2.188 10 0 BEAERO Cc1ccccc1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000086499565 538555922 /nfs/dbraw/zinc/55/59/22/538555922.db2.gz BTTWEDCUUMFGEW-NSHDSACASA-N 1 0 203.285 2.320 10 0 BEAERO O=C1c2ccsc2CC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086499620 538556206 /nfs/dbraw/zinc/55/62/06/538556206.db2.gz KWDAZMKAHWIBBX-SCZZXKLOSA-N 1 0 221.325 2.245 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000086499521 538556389 /nfs/dbraw/zinc/55/63/89/538556389.db2.gz PJFDRMJIHIURQW-VIFPVBQESA-N 1 0 207.248 2.151 10 0 BEAERO CC(C)(C)OC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573280 538557765 /nfs/dbraw/zinc/55/77/65/538557765.db2.gz NUOXZECVMPFYDW-FGWVZKOKSA-N 1 0 225.332 2.249 10 0 BEAERO Cn1cnc2c1C1(CCCCCC1)[NH2+]CC2 ZINC000084259031 538528916 /nfs/dbraw/zinc/52/89/16/538528916.db2.gz ZJDHDQDZORNHOE-UHFFFAOYSA-N 1 0 219.332 2.115 10 0 BEAERO C[C@@H](C[NH3+])[C@H](O)c1sccc1Cl ZINC000087723028 538569273 /nfs/dbraw/zinc/56/92/73/538569273.db2.gz HOUQGLFQWYXLRK-FSPLSTOPSA-N 1 0 205.710 2.030 10 0 BEAERO C[C@@H]1CCC[C@H](CC(=O)C(F)(F)F)[NH2+]1 ZINC000130344709 538588460 /nfs/dbraw/zinc/58/84/60/538588460.db2.gz SDAGMUBYCAHXRH-RNFRBKRXSA-N 1 0 209.211 2.039 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H](CC(=O)c2ccco2)C1 ZINC000130298121 538589497 /nfs/dbraw/zinc/58/94/97/538589497.db2.gz OBZQRSYDKTWHHQ-NXEZZACHSA-N 1 0 207.273 2.241 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H](CC(=O)c2cncs2)C1 ZINC000130391253 538590439 /nfs/dbraw/zinc/59/04/39/538590439.db2.gz SQFANLPOYKDDAY-RKDXNWHRSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H](CC(=O)c2ccoc2)C1 ZINC000130366324 538591069 /nfs/dbraw/zinc/59/10/69/538591069.db2.gz MYVXERIWCOKEDB-MWLCHTKSSA-N 1 0 207.273 2.241 10 0 BEAERO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000384955043 356815015 /nfs/dbraw/zinc/81/50/15/356815015.db2.gz VUVPZLXDNPFHLP-DOMZBBRYSA-N 1 0 244.338 2.212 10 0 BEAERO C[C@H]([NH3+])Cc1cc(Cl)cc2c1OCC2 ZINC000160475527 356989446 /nfs/dbraw/zinc/98/94/46/356989446.db2.gz IVWYKEZLNCVHMO-ZETCQYMHSA-N 1 0 211.692 2.165 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]CCCC1CCCCC1 ZINC000389838774 357051745 /nfs/dbraw/zinc/05/17/45/357051745.db2.gz HGQBIRQMHFXZEI-QWHCGFSZSA-N 1 0 211.349 2.317 10 0 BEAERO C[NH2+]C1([C@H](N)c2ccccc2)CCCC1 ZINC000145920013 491107465 /nfs/dbraw/zinc/10/74/65/491107465.db2.gz ITPILRQRLQJDAJ-GFCCVEGCSA-N 1 0 204.317 2.219 10 0 BEAERO CC[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300022590 357172753 /nfs/dbraw/zinc/17/27/53/357172753.db2.gz BAGHFJKUKZIHPI-JBDRJPRFSA-N 1 0 205.392 2.349 10 0 BEAERO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000393739673 357295719 /nfs/dbraw/zinc/29/57/19/357295719.db2.gz UEVHTCRELJCSLI-UTUOFQBUSA-N 1 0 213.365 2.419 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1nc2ccccc2n1C ZINC000320978634 357275471 /nfs/dbraw/zinc/27/54/71/357275471.db2.gz XJSVNWWTSHDEPH-UWVGGRQHSA-N 1 0 232.331 2.111 10 0 BEAERO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)CC(C)(C)C1 ZINC000393173740 357278477 /nfs/dbraw/zinc/27/84/77/357278477.db2.gz HLBXZDYZSPEYGA-FIQHERPVSA-N 1 0 211.349 2.172 10 0 BEAERO O[C@@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000393947012 357321287 /nfs/dbraw/zinc/32/12/87/357321287.db2.gz SBOGQPPDCFLAAE-JLIMGVALSA-N 1 0 237.265 2.078 10 0 BEAERO CC[C@](C)([C@@H](N)c1ccccc1)[NH+](C)C ZINC000085745451 357400646 /nfs/dbraw/zinc/40/06/46/357400646.db2.gz NLNPTDUECXXCML-QWHCGFSZSA-N 1 0 206.333 2.417 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CC[C@@H]2CCCO2)o1 ZINC000230417615 357524212 /nfs/dbraw/zinc/52/42/12/357524212.db2.gz AHYZPKWOUWPELO-QWRGUYRKSA-N 1 0 224.304 2.203 10 0 BEAERO CC(C)NC(=O)[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000063145541 357534071 /nfs/dbraw/zinc/53/40/71/357534071.db2.gz DBZUKFXMVYPUDU-OTTFEQOBSA-N 1 0 240.391 2.315 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCc2cccnc2)o1 ZINC000230647878 357544764 /nfs/dbraw/zinc/54/47/64/357544764.db2.gz SDCIIJNXHHXOFI-NSHDSACASA-N 1 0 231.299 2.271 10 0 BEAERO COC1CC([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000230673798 357548539 /nfs/dbraw/zinc/54/85/39/357548539.db2.gz JWCVECCHYFERCG-GCZXYKMCSA-N 1 0 233.311 2.277 10 0 BEAERO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CC1CCC1 ZINC000085697058 357553463 /nfs/dbraw/zinc/55/34/63/357553463.db2.gz ASGNGTXMRFXJSZ-GXTWGEPZSA-N 1 0 222.376 2.345 10 0 BEAERO COCC[C@](C)(O)C[NH2+]CC1CCC(C)CC1 ZINC000231329674 357612897 /nfs/dbraw/zinc/61/28/97/357612897.db2.gz CJNNEJNZXSAYBD-RUXDESIVSA-N 1 0 243.391 2.190 10 0 BEAERO CC1(C(=O)C[C@@H]2[NH2+]C[C@H]3CCC[C@@H]23)CC1 ZINC000229135303 538881330 /nfs/dbraw/zinc/88/13/30/538881330.db2.gz FUJMDLMVIDFBHT-MXWKQRLJSA-N 1 0 207.317 2.134 10 0 BEAERO COc1cc(N2CC[NH2+][C@H](C)CC2)ccc1F ZINC000160521074 538885342 /nfs/dbraw/zinc/88/53/42/538885342.db2.gz REZXVJKXZBTNJH-SNVBAGLBSA-N 1 0 238.306 2.023 10 0 BEAERO CC(C)[C@H](C)C(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947200 538888800 /nfs/dbraw/zinc/88/88/00/538888800.db2.gz GMPRFQYGYQGPQF-ZBOXLXRLSA-N 1 0 226.364 2.055 10 0 BEAERO CCC[C@H](C)C(=O)N1CCC[C@]([NH3+])(CC)C1 ZINC000685947779 538889683 /nfs/dbraw/zinc/88/96/83/538889683.db2.gz QSUPSJJNXSQXRR-WCQYABFASA-N 1 0 226.364 2.153 10 0 BEAERO Cc1ccc2c(C[NH2+]C(C)C)cnn2c1C ZINC000685948179 538890437 /nfs/dbraw/zinc/89/04/37/538890437.db2.gz ZMVKBCVYQWZCNE-UHFFFAOYSA-N 1 0 217.316 2.449 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000232870691 357686300 /nfs/dbraw/zinc/68/63/00/357686300.db2.gz TXBLQVFDHPRXOY-UONOGXRCSA-N 1 0 239.359 2.389 10 0 BEAERO CC(C)=CC[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000191109437 357750830 /nfs/dbraw/zinc/75/08/30/357750830.db2.gz VIDHNBNOXQQZPE-LBPRGKRZSA-N 1 0 249.333 2.355 10 0 BEAERO CCCO[C@H]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000193441851 357925574 /nfs/dbraw/zinc/92/55/74/357925574.db2.gz MRMREQNWCXXMGG-AWEZNQCLSA-N 1 0 242.407 2.266 10 0 BEAERO CC(C)[NH2+]CCN[C@H](C)[C@H]1COc2ccccc21 ZINC000193496875 357928822 /nfs/dbraw/zinc/92/88/22/357928822.db2.gz NTVNBSFZCZJXBL-TZMCWYRMSA-N 1 0 248.370 2.139 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCOCC1CCCC1 ZINC000639938558 357944094 /nfs/dbraw/zinc/94/40/94/357944094.db2.gz CNVMWCDGVMLNON-TZMCWYRMSA-N 1 0 241.375 2.038 10 0 BEAERO CCCC[N@H+](C)C[C@@H](O)c1ccc(OC)cc1 ZINC000042245032 168776001 /nfs/dbraw/zinc/77/60/01/168776001.db2.gz IPMSZOSHMNDYBL-CQSZACIVSA-N 1 0 237.343 2.461 10 0 BEAERO CC(C)(C[NH3+])CNc1ncccc1Cl ZINC000168946595 357999492 /nfs/dbraw/zinc/99/94/92/357999492.db2.gz VNTNPWLKGZRLAM-UHFFFAOYSA-N 1 0 213.712 2.132 10 0 BEAERO Clc1cccc([C@H]2C[NH2+]CCCO2)c1 ZINC000035598806 358002652 /nfs/dbraw/zinc/00/26/52/358002652.db2.gz MESPDKADWJYLLZ-LLVKDONJSA-N 1 0 211.692 2.391 10 0 BEAERO CS[C@H](C)CNc1[nH+]ccc(C)c1N ZINC000169040323 358014150 /nfs/dbraw/zinc/01/41/50/358014150.db2.gz ZOBIWPFKRPJPAG-MRVPVSSYSA-N 1 0 211.334 2.136 10 0 BEAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000220415752 358041261 /nfs/dbraw/zinc/04/12/61/358041261.db2.gz KKHBRNNEWWZVEH-MNOVXSKESA-N 1 0 226.364 2.199 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000036872959 358055318 /nfs/dbraw/zinc/05/53/18/358055318.db2.gz NQUOXNSBAPLGKU-GFCCVEGCSA-N 1 0 232.327 2.093 10 0 BEAERO C[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000038133997 358115915 /nfs/dbraw/zinc/11/59/15/358115915.db2.gz VUKVXFNMQOEJJD-STQMWFEESA-N 1 0 223.291 2.135 10 0 BEAERO CC[C@@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000171508562 134258793 /nfs/dbraw/zinc/25/87/93/134258793.db2.gz UXLZFGKFJXJLNT-STQMWFEESA-N 1 0 240.391 2.221 10 0 BEAERO Cc1cc2cc(N)ccc2n1CC[NH+](C)C ZINC000038313188 358147479 /nfs/dbraw/zinc/14/74/79/358147479.db2.gz NXILZWSHPBEPSK-UHFFFAOYSA-N 1 0 217.316 2.094 10 0 BEAERO CC(C)OCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000171499347 134259054 /nfs/dbraw/zinc/25/90/54/134259054.db2.gz HNDZHHUSYGBIDS-KBPBESRZSA-N 1 0 241.375 2.445 10 0 BEAERO O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1Cc3ccccc31)C2 ZINC000640075790 358172995 /nfs/dbraw/zinc/17/29/95/358172995.db2.gz HXTHJZHXECKREC-UNQGMJICSA-N 1 0 243.350 2.172 10 0 BEAERO C[C@H](Cc1ccsc1)[NH2+]C(C)(C)[C@H](C)O ZINC000134376220 325355960 /nfs/dbraw/zinc/35/59/60/325355960.db2.gz PSBXSONVBZHPQP-ZJUUUORDSA-N 1 0 227.373 2.428 10 0 BEAERO CSc1nc(NCc2ccccc2)cc(N)[nH+]1 ZINC000001745864 358219197 /nfs/dbraw/zinc/21/91/97/358219197.db2.gz QJXQRYOGPKRWFW-UHFFFAOYSA-N 1 0 246.339 2.393 10 0 BEAERO CC(C)(O)C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000086104158 358231912 /nfs/dbraw/zinc/23/19/12/358231912.db2.gz QGDCVIWCQBADBH-SNVBAGLBSA-N 1 0 237.368 2.236 10 0 BEAERO COc1ccc2cccc3c2c1C[C@H]([NH3+])C3 ZINC000039149681 358221467 /nfs/dbraw/zinc/22/14/67/358221467.db2.gz YYUGNDNEYIWPEY-LLVKDONJSA-N 1 0 213.280 2.274 10 0 BEAERO CCc1c(C)[nH]c2c1C(=O)C[C@H](CC[NH2+]C)C2 ZINC000039319607 358222243 /nfs/dbraw/zinc/22/22/43/358222243.db2.gz ZSJMJMPDZQLANV-SNVBAGLBSA-N 1 0 234.343 2.240 10 0 BEAERO [NH3+]CCN1CC[C@H](C(F)F)c2ccccc21 ZINC000584612731 358276272 /nfs/dbraw/zinc/27/62/72/358276272.db2.gz CTVLKESOSNMKEQ-JTQLQIEISA-N 1 0 226.270 2.204 10 0 BEAERO O[C@H](c1ccccc1[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000584613487 358277361 /nfs/dbraw/zinc/27/73/61/358277361.db2.gz LWBDAKSOQHCXQH-GZMMTYOYSA-N 1 0 245.244 2.359 10 0 BEAERO Cc1ccc(C)c2c1OC[C@@H]([C@@H](C)[NH+](C)C)O2 ZINC000584615049 358279431 /nfs/dbraw/zinc/27/94/31/358279431.db2.gz IOCBSRRBFCLPNI-NEPJUHHUSA-N 1 0 235.327 2.393 10 0 BEAERO CC[NH+](CC)C[C@@H]1Oc2cccc(C)c2O1 ZINC000584614802 358279629 /nfs/dbraw/zinc/27/96/29/358279629.db2.gz KZOMWVFKBGRANZ-GFCCVEGCSA-N 1 0 221.300 2.434 10 0 BEAERO [NH2+]=C(NO)c1ccc(C(F)(F)F)c(F)c1 ZINC000584594965 358252113 /nfs/dbraw/zinc/25/21/13/358252113.db2.gz HKNNBUXPQWGATC-UHFFFAOYSA-N 1 0 222.141 2.149 10 0 BEAERO C[C@H]([NH2+]Cc1ccc[nH]1)[C@@H](O)c1ccccc1 ZINC000584596092 358253996 /nfs/dbraw/zinc/25/39/96/358253996.db2.gz MXSFBJQVSIKKTL-SMDDNHRTSA-N 1 0 230.311 2.226 10 0 BEAERO C[NH+](C)[C@@H]1[C@H]2CC[C@H](C[C@@H]2O)[C@H]1c1ccccc1 ZINC000584599899 358256534 /nfs/dbraw/zinc/25/65/34/358256534.db2.gz WSESHWZVUAAHCK-LYYZXLFJSA-N 1 0 245.366 2.491 10 0 BEAERO C[C@@H]([C@@H](O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000584621042 358288002 /nfs/dbraw/zinc/28/80/02/358288002.db2.gz JYRDZJGDEGIFLW-GXFFZTMASA-N 1 0 223.291 2.343 10 0 BEAERO Nc1cc(OC/C=C/c2ccccc2)cc(N)[nH+]1 ZINC000584624311 358292314 /nfs/dbraw/zinc/29/23/14/358292314.db2.gz VJSSIPICNJENOW-QPJJXVBHSA-N 1 0 241.294 2.169 10 0 BEAERO Nc1cc(OCCCc2ccccc2)cc(N)[nH+]1 ZINC000584624290 358292406 /nfs/dbraw/zinc/29/24/06/358292406.db2.gz SIZZLOPPJBWOMB-UHFFFAOYSA-N 1 0 243.310 2.088 10 0 BEAERO O=C(N[C@H]1CCCC[NH2+]1)OCc1ccccc1 ZINC000584627079 358296655 /nfs/dbraw/zinc/29/66/55/358296655.db2.gz GBXBJHOAWMQCSY-LBPRGKRZSA-N 1 0 234.299 2.012 10 0 BEAERO c1ccc(CCCOCC2=[NH+]CCCN2)cc1 ZINC000584650878 358305743 /nfs/dbraw/zinc/30/57/43/358305743.db2.gz LTBRCANYOMKDKV-UHFFFAOYSA-N 1 0 232.327 2.028 10 0 BEAERO OCC1(c2ccc(C(F)F)cc2)CC[NH2+]CC1 ZINC000584636811 358321557 /nfs/dbraw/zinc/32/15/57/358321557.db2.gz FMRMTDBMQCVPFI-UHFFFAOYSA-N 1 0 241.281 2.238 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000226234354 358336206 /nfs/dbraw/zinc/33/62/06/358336206.db2.gz QFMRNNFCPWCCAP-IJLUTSLNSA-N 1 0 229.389 2.165 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000227246851 358352327 /nfs/dbraw/zinc/35/23/27/358352327.db2.gz LPBMNWAKYGBEKI-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncnc2ccccc21 ZINC000228267015 358372188 /nfs/dbraw/zinc/37/21/88/358372188.db2.gz KBNNRVPSCJQGDZ-NXEZZACHSA-N 1 0 230.315 2.168 10 0 BEAERO Cc1nc2ccccc2nc1N[C@H](C)C[C@H](C)[NH3+] ZINC000228268877 358372447 /nfs/dbraw/zinc/37/24/47/358372447.db2.gz QIDOTBPHQDWXQR-VHSXEESVSA-N 1 0 244.342 2.476 10 0 BEAERO CCC[C@](C)(O)C[NH2+]CCOc1ccccc1 ZINC000230702492 358410310 /nfs/dbraw/zinc/41/03/10/358410310.db2.gz DHBVISXNSIKKFJ-AWEZNQCLSA-N 1 0 237.343 2.206 10 0 BEAERO CN(CC1CC1)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596110 358383387 /nfs/dbraw/zinc/38/33/87/358383387.db2.gz CXJFQGRGOVCITA-HNNXBMFYSA-N 1 0 230.355 2.215 10 0 BEAERO CCOC(=O)C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000043622525 358384412 /nfs/dbraw/zinc/38/44/12/358384412.db2.gz XKUWPCSHXBZPCA-LBPRGKRZSA-N 1 0 247.338 2.386 10 0 BEAERO CCCC[C@H](CC)CC[NH2+][C@@H](C)CC(N)=O ZINC000128744442 491133148 /nfs/dbraw/zinc/13/31/48/491133148.db2.gz CMGNCYCEACSDQC-RYUDHWBXSA-N 1 0 228.380 2.446 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000126431601 358549598 /nfs/dbraw/zinc/54/95/98/358549598.db2.gz NYQTZFGHJZBCGB-OLZOCXBDSA-N 1 0 236.363 2.227 10 0 BEAERO CC(C)[C@]1(C(=O)c2ccoc2)CC[NH2+]C1 ZINC000300223468 358568698 /nfs/dbraw/zinc/56/86/98/358568698.db2.gz CQVFIUXZLKLICA-LBPRGKRZSA-N 1 0 207.273 2.098 10 0 BEAERO C[C@@H]1CCS[C@@H]([C@H]2CCSC2)[NH2+]1 ZINC000300210488 358538758 /nfs/dbraw/zinc/53/87/58/358538758.db2.gz LQLIJEPBHNYBSU-VGMNWLOBSA-N 1 0 203.376 2.181 10 0 BEAERO COc1cc([C@@H](C)[NH2+]C[C@H](C)CO)ccc1F ZINC000212707772 358620099 /nfs/dbraw/zinc/62/00/99/358620099.db2.gz UDOUJCMGVHDHNU-VHSXEESVSA-N 1 0 241.306 2.113 10 0 BEAERO CCc1nc(CC[NH2+][C@H](C)[C@H](C)CC)no1 ZINC000129290112 358585555 /nfs/dbraw/zinc/58/55/55/358585555.db2.gz DNWDEPHGZUFWIA-NXEZZACHSA-N 1 0 225.336 2.199 10 0 BEAERO Cn1cccc1[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000131712567 358691279 /nfs/dbraw/zinc/69/12/79/358691279.db2.gz NUNKSXHJNGPJKD-AWEZNQCLSA-N 1 0 234.343 2.341 10 0 BEAERO C[C@@H](CC1CCC1)[NH2+][C@H]1CCCN(C)C1 ZINC000132515073 491136461 /nfs/dbraw/zinc/13/64/61/491136461.db2.gz FPMXKPVTZMJGGO-AAEUAGOBSA-N 1 0 210.365 2.249 10 0 BEAERO OCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000132102365 358707488 /nfs/dbraw/zinc/70/74/88/358707488.db2.gz OIOWCEJBIRLZNH-LLVKDONJSA-N 1 0 241.718 2.136 10 0 BEAERO C[C@H](CCO)[NH2+]Cc1cccc(C2CC2)c1 ZINC000132415048 358723164 /nfs/dbraw/zinc/72/31/64/358723164.db2.gz YIFGMCMZSXHWGD-LLVKDONJSA-N 1 0 219.328 2.425 10 0 BEAERO O=C1NCCC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000050395478 358726137 /nfs/dbraw/zinc/72/61/37/358726137.db2.gz JCZVTTPZIVTYCM-ZIAGYGMSSA-N 1 0 244.338 2.006 10 0 BEAERO CC(=O)CC[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134232215 358784112 /nfs/dbraw/zinc/78/41/12/358784112.db2.gz AOCHWBIBLZWYAM-WFASDCNBSA-N 1 0 247.338 2.290 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000134359654 358787762 /nfs/dbraw/zinc/78/77/62/358787762.db2.gz QUHKWVAHLFYUFK-RYUDHWBXSA-N 1 0 226.364 2.151 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2ncccc2F)C1 ZINC000054700711 358872332 /nfs/dbraw/zinc/87/23/32/358872332.db2.gz SJKRBWDRUYXXNN-JTQLQIEISA-N 1 0 223.295 2.117 10 0 BEAERO C[N@@H+](C[C@H]1CCCC[C@@H]1O)C[C@@H]1CCCCO1 ZINC000053885196 358846609 /nfs/dbraw/zinc/84/66/09/358846609.db2.gz XVNRZNZZBRHOGR-RDBSUJKOSA-N 1 0 241.375 2.038 10 0 BEAERO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnccn1 ZINC000054765626 358872998 /nfs/dbraw/zinc/87/29/98/358872998.db2.gz KAXWEAIAPSSMKG-AWEZNQCLSA-N 1 0 225.295 2.254 10 0 BEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCNC1=O ZINC000214565357 358875177 /nfs/dbraw/zinc/87/51/77/358875177.db2.gz YQKLPHIMWWTGAC-RWMBFGLXSA-N 1 0 238.375 2.069 10 0 BEAERO c1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)n[nH]1 ZINC000136732057 358885745 /nfs/dbraw/zinc/88/57/45/358885745.db2.gz SCAUICDZXNZOQZ-LBPRGKRZSA-N 1 0 249.358 2.381 10 0 BEAERO CC(C)CCOCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000056267251 358896071 /nfs/dbraw/zinc/89/60/71/358896071.db2.gz WPBXPRFLVZMQJK-STQMWFEESA-N 1 0 229.364 2.158 10 0 BEAERO CC(C)CCOCC[N@H+](C)C[C@H]1CCCO1 ZINC000056494955 358897907 /nfs/dbraw/zinc/89/79/07/358897907.db2.gz MRRSVPROUBSXCE-CYBMUJFWSA-N 1 0 229.364 2.160 10 0 BEAERO CS[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C ZINC000300358249 358971253 /nfs/dbraw/zinc/97/12/53/358971253.db2.gz DHUSWVYCHPOCFO-VPOLOUISSA-N 1 0 215.362 2.038 10 0 BEAERO [NH3+]C1(c2ncc(Cl)cc2F)CCC1 ZINC000306166140 358975227 /nfs/dbraw/zinc/97/52/27/358975227.db2.gz MBNQLDHPYGRCJJ-UHFFFAOYSA-N 1 0 200.644 2.212 10 0 BEAERO C[C@@H]1SCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000299971934 358958429 /nfs/dbraw/zinc/95/84/29/358958429.db2.gz ZLSMFWBLMSFGQS-LPEHRKFASA-N 1 0 217.403 2.366 10 0 BEAERO [NH3+]Cc1ccc(F)c(-c2ccsn2)c1 ZINC000306179893 358990424 /nfs/dbraw/zinc/99/04/24/358990424.db2.gz IVPIQACVYNQBJD-UHFFFAOYSA-N 1 0 208.261 2.408 10 0 BEAERO C[C@]1([C@@H]([NH3+])c2ccsn2)CCCS1 ZINC000306179920 358991188 /nfs/dbraw/zinc/99/11/88/358991188.db2.gz IYXJRSBOJJVFFN-DTWKUNHWSA-N 1 0 214.359 2.429 10 0 BEAERO CC[C@]1(C(=O)N[C@@H](C)C2CCCC2)CC[NH2+]C1 ZINC000070307673 359048441 /nfs/dbraw/zinc/04/84/41/359048441.db2.gz SJCOSIKHOQBMQA-FZMZJTMJSA-N 1 0 238.375 2.071 10 0 BEAERO COCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000074352198 359116206 /nfs/dbraw/zinc/11/62/06/359116206.db2.gz ZWJDXYGWDNBOHP-STQMWFEESA-N 1 0 227.348 2.056 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ncccc1C(F)(F)F ZINC000070447900 359056753 /nfs/dbraw/zinc/05/67/53/359056753.db2.gz SPLIZVHWVPEISE-SECBINFHSA-N 1 0 247.264 2.496 10 0 BEAERO O[C@@H](C[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000070880824 359065214 /nfs/dbraw/zinc/06/52/14/359065214.db2.gz XMWODYYXPUHJNA-KBPBESRZSA-N 1 0 217.312 2.034 10 0 BEAERO CC[C@H]([NH2+]CCn1cc(C)cn1)[C@H]1C[C@@H]1C ZINC000321993768 259483122 /nfs/dbraw/zinc/48/31/22/259483122.db2.gz FMDMPGPIDCMQBO-AVGNSLFASA-N 1 0 221.348 2.216 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H]1C=CCC1 ZINC000247558362 359234115 /nfs/dbraw/zinc/23/41/15/359234115.db2.gz ZWJILILBTWUGDQ-MGPQQGTHSA-N 1 0 248.370 2.038 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1CO ZINC000248146684 359256613 /nfs/dbraw/zinc/25/66/13/359256613.db2.gz QFYXMFFOVBJMRB-MJBXVCDLSA-N 1 0 243.391 2.332 10 0 BEAERO CCc1nc(C[C@]2(C)CCC[NH2+]2)cs1 ZINC000306211335 359305202 /nfs/dbraw/zinc/30/52/02/359305202.db2.gz UWYLORONDBEWES-NSHDSACASA-N 1 0 210.346 2.390 10 0 BEAERO Cc1ccc(Cl)c([C@H]([NH3+])CN(C)C)c1 ZINC000306214681 359314818 /nfs/dbraw/zinc/31/48/18/359314818.db2.gz NMMZMBNJDOWTMC-LLVKDONJSA-N 1 0 212.724 2.210 10 0 BEAERO F[C@@H](c1ccsn1)C1CC[NH2+]CC1 ZINC000306214376 359316149 /nfs/dbraw/zinc/31/61/49/359316149.db2.gz YPENWAGIBMALRX-SECBINFHSA-N 1 0 200.282 2.153 10 0 BEAERO C1=C[C@@H](N2CC[N@H+]3CCCC[C@@H]3C2)CCC1 ZINC000248368771 359271216 /nfs/dbraw/zinc/27/12/16/359271216.db2.gz VOBUJXFOKVJJEZ-ZIAGYGMSSA-N 1 0 220.360 2.265 10 0 BEAERO Cc1nnc([C@]2([NH3+])CCC[C@H](C)C2)s1 ZINC000306217512 359331725 /nfs/dbraw/zinc/33/17/25/359331725.db2.gz DCDRXVXHNQAAGT-XVKPBYJWSA-N 1 0 211.334 2.211 10 0 BEAERO Cc1cc(CO[C@@H]2CCC[C@H]2[NH3+])cs1 ZINC000306221893 359343498 /nfs/dbraw/zinc/34/34/98/359343498.db2.gz JVNANLXFFAOQNV-GHMZBOCLSA-N 1 0 211.330 2.453 10 0 BEAERO Cc1ccc([C@@](C)(O)[C@H](C)[NH3+])cc1Cl ZINC000306245355 359428773 /nfs/dbraw/zinc/42/87/73/359428773.db2.gz NSABCZKQUGOVIY-KWQFWETISA-N 1 0 213.708 2.203 10 0 BEAERO CC1(C)C[N@H+](C[C@@H]2Cc3ccccc32)CC[C@@H]1O ZINC000287929396 359538220 /nfs/dbraw/zinc/53/82/20/359538220.db2.gz WPPGNIQAVPPVSA-ZFWWWQNUSA-N 1 0 245.366 2.419 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1CCCSCC1 ZINC000306294757 359532411 /nfs/dbraw/zinc/53/24/11/359532411.db2.gz FGJBVPSDUUOOIQ-UHFFFAOYSA-N 1 0 249.383 2.150 10 0 BEAERO C[C@@H]1CSC[C@]12[NH2+]C[C@@H](C)CS2 ZINC000306349156 359670095 /nfs/dbraw/zinc/67/00/95/359670095.db2.gz JFALHFAUEYJNTO-IWSPIJDZSA-N 1 0 203.376 2.038 10 0 BEAERO CC1=CC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000309124604 491145304 /nfs/dbraw/zinc/14/53/04/491145304.db2.gz PCBOONJFPMDQPN-AVGNSLFASA-N 1 0 209.333 2.378 10 0 BEAERO CCCCN(CC)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087121678 359899205 /nfs/dbraw/zinc/89/92/05/359899205.db2.gz MNPZVGZUIRGBNB-VXGBXAGGSA-N 1 0 226.364 2.023 10 0 BEAERO CCCCN(CC)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087121682 359899399 /nfs/dbraw/zinc/89/93/99/359899399.db2.gz MNPZVGZUIRGBNB-NWDGAFQWSA-N 1 0 226.364 2.023 10 0 BEAERO CSC1([C@H]2[NH2+]C[C@H](C)CS2)CC1 ZINC000306446624 360013302 /nfs/dbraw/zinc/01/33/02/360013302.db2.gz BOXSHDNABCMLLV-YUMQZZPRSA-N 1 0 203.376 2.181 10 0 BEAERO CCCNC(=O)CC[NH2+]CC1CCC(C)CC1 ZINC000089577008 360027879 /nfs/dbraw/zinc/02/78/79/360027879.db2.gz IACLQDIAGMCBBV-UHFFFAOYSA-N 1 0 240.391 2.319 10 0 BEAERO COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089163091 359995243 /nfs/dbraw/zinc/99/52/43/359995243.db2.gz WAJMJWOSXKUWSN-TZMCWYRMSA-N 1 0 249.354 2.254 10 0 BEAERO C[C@H](C[NH3+])CNc1cc(F)ccc1Cl ZINC000306471090 360093818 /nfs/dbraw/zinc/09/38/18/360093818.db2.gz RFMYWZRRXJFVKZ-SSDOTTSWSA-N 1 0 216.687 2.486 10 0 BEAERO C[C@@]1(O)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000306454973 360051345 /nfs/dbraw/zinc/05/13/45/360051345.db2.gz ZVEQSCRTRZHYTD-CHWSQXEVSA-N 1 0 205.301 2.080 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C(C)(C)C ZINC000090224339 360066870 /nfs/dbraw/zinc/06/68/70/360066870.db2.gz BCWFWXOBROBEFR-MWLCHTKSSA-N 1 0 236.363 2.446 10 0 BEAERO C[C@H]1C[N@H+](C)C[C@H]1Nc1ncc(Cl)s1 ZINC000306466077 360079724 /nfs/dbraw/zinc/07/97/24/360079724.db2.gz KHFPBAMUVZSYIL-NKWVEPMBSA-N 1 0 231.752 2.159 10 0 BEAERO [NH3+]CC[S@@](=O)c1ccc(Cl)cc1Cl ZINC000306482620 360157130 /nfs/dbraw/zinc/15/71/30/360157130.db2.gz DUHVSBJKRSGNFO-CYBMUJFWSA-N 1 0 238.139 2.060 10 0 BEAERO C[C@H]1C[C@]2(CN1Cc1ccccc1)[NH2+]CCS2 ZINC000306485962 360162339 /nfs/dbraw/zinc/16/23/39/360162339.db2.gz OGBQLBKULWLTOK-JSGCOSHPSA-N 1 0 248.395 2.314 10 0 BEAERO C[C@@H](C[NH2+]C1CCC1)N(C)C(=O)OC(C)(C)C ZINC000306488960 360190553 /nfs/dbraw/zinc/19/05/53/360190553.db2.gz SMFAPJQANFQQLL-JTQLQIEISA-N 1 0 242.363 2.384 10 0 BEAERO C[C@@H]1CCCN1C(=[NH2+])NCc1ccccc1 ZINC000306491622 360208782 /nfs/dbraw/zinc/20/87/82/360208782.db2.gz OMMNPPPKBXFCMQ-LLVKDONJSA-N 1 0 217.316 2.195 10 0 BEAERO CC[C@@H](C)C[NH2+][C@H]1CCCn2c(C)nnc21 ZINC000093079928 360215115 /nfs/dbraw/zinc/21/51/15/360215115.db2.gz UIZSFFBQYPWYGA-KOLCDFICSA-N 1 0 222.336 2.057 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](CC(=O)c2ccccc2)C1 ZINC000306493880 360217017 /nfs/dbraw/zinc/21/70/17/360217017.db2.gz SQNPHYBVJKEYLT-ZYHUDNBSSA-N 1 0 203.285 2.387 10 0 BEAERO C[C@@H]1C[C@H](C)CN1C(=[NH2+])NCc1ccccc1 ZINC000306501022 360296080 /nfs/dbraw/zinc/29/60/80/360296080.db2.gz ZKYNOAVNIJKLMI-NWDGAFQWSA-N 1 0 231.343 2.441 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1cc(F)c(F)c(F)c1 ZINC000306533732 360396046 /nfs/dbraw/zinc/39/60/46/360396046.db2.gz DDRHOMCYNUAHGR-YFKPBYRVSA-N 1 0 217.190 2.024 10 0 BEAERO CSC[C@H]([NH3+])c1c(F)cccc1F ZINC000069759095 360396088 /nfs/dbraw/zinc/39/60/88/360396088.db2.gz JIAKRENVCJUWBZ-QMMMGPOBSA-N 1 0 203.257 2.328 10 0 BEAERO COc1cc([C@H]2CCCCC[NH2+]2)sn1 ZINC000306534378 360396909 /nfs/dbraw/zinc/39/69/09/360396909.db2.gz IQNAYBSKJGPQEU-MRVPVSSYSA-N 1 0 212.318 2.356 10 0 BEAERO O=C(c1ccc(C(F)(F)F)s1)C1C[NH2+]C1 ZINC000306560695 360437691 /nfs/dbraw/zinc/43/76/91/360437691.db2.gz MPXYWYWHDQCHBK-UHFFFAOYSA-N 1 0 235.230 2.169 10 0 BEAERO C[NH2+][C@H]1CC[C@H](c2cc(OC)ns2)C1 ZINC000306542065 360412398 /nfs/dbraw/zinc/41/23/98/360412398.db2.gz QKMQXRGWXVKNLT-YUMQZZPRSA-N 1 0 212.318 2.007 10 0 BEAERO CC[C@@H]1CCO[C@@](C)(C(F)(F)F)C[NH2+]1 ZINC000306545213 360414725 /nfs/dbraw/zinc/41/47/25/360414725.db2.gz APQUCEDJHMIODC-HTQZYQBOSA-N 1 0 211.227 2.096 10 0 BEAERO C[S@@](=O)CCC1([NH3+])CCC(C)(C)CC1 ZINC000306546830 360417910 /nfs/dbraw/zinc/41/79/10/360417910.db2.gz AOFRMFOINDWFHH-CQSZACIVSA-N 1 0 217.378 2.053 10 0 BEAERO COc1cc(-c2csc(C[NH3+])c2)sn1 ZINC000306548808 360419567 /nfs/dbraw/zinc/41/95/67/360419567.db2.gz XUWLEOOIBWIRER-UHFFFAOYSA-N 1 0 226.326 2.339 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)CCS1 ZINC000306554016 360426574 /nfs/dbraw/zinc/42/65/74/360426574.db2.gz LGVMQWATXCWADS-GHMZBOCLSA-N 1 0 227.373 2.326 10 0 BEAERO [NH3+]C1(Cc2csnn2)CCCCCC1 ZINC000306552094 360426894 /nfs/dbraw/zinc/42/68/94/360426894.db2.gz ASUSVDLLESZRJN-UHFFFAOYSA-N 1 0 211.334 2.132 10 0 BEAERO C[C@@](F)(Cc1nccs1)[C@@H]1CC[NH2+]C1 ZINC000306556006 360430143 /nfs/dbraw/zinc/43/01/43/360430143.db2.gz FRNKPZIJXAYOJE-PSASIEDQSA-N 1 0 214.309 2.023 10 0 BEAERO C[C@H]1CC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306558351 360432287 /nfs/dbraw/zinc/43/22/87/360432287.db2.gz OQCVKDFLHBUWIR-CMPLNLGQSA-N 1 0 217.316 2.099 10 0 BEAERO c1ccc(S[C@@H]2CCC[NH2+]CC2)nc1 ZINC000300777194 360490645 /nfs/dbraw/zinc/49/06/45/360490645.db2.gz AXUTYSQFTJNXKY-SNVBAGLBSA-N 1 0 208.330 2.316 10 0 BEAERO C[C@H]1CC[C@@](F)(c2ccns2)C[NH2+]1 ZINC000306597768 360519529 /nfs/dbraw/zinc/51/95/29/360519529.db2.gz ZVDIBQYJFKGFTN-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO CCCN1CC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799982 360558434 /nfs/dbraw/zinc/55/84/34/360558434.db2.gz UJVFXUJJPZMMKH-QWRGUYRKSA-N 1 0 210.346 2.232 10 0 BEAERO CC(C)N1CC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069800118 360558599 /nfs/dbraw/zinc/55/85/99/360558599.db2.gz HGMGTWFYVBZVMA-QWRGUYRKSA-N 1 0 210.346 2.231 10 0 BEAERO CC(C)OC1CC([NH2+]Cc2ccccn2)C1 ZINC000309529117 491149990 /nfs/dbraw/zinc/14/99/90/491149990.db2.gz CZYABEBYVPMVGU-UHFFFAOYSA-N 1 0 220.316 2.127 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCN(C(C)C)C1=O ZINC000178394452 219865382 /nfs/dbraw/zinc/86/53/82/219865382.db2.gz VJAAFGKSRLWRBG-NWDGAFQWSA-N 1 0 226.364 2.020 10 0 BEAERO OC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCCC1 ZINC000309602592 491152162 /nfs/dbraw/zinc/15/21/62/491152162.db2.gz XAIYLOJJPJQPJU-NEPJUHHUSA-N 1 0 229.339 2.409 10 0 BEAERO COc1cc(C[NH3+])ccc1OC(F)(F)F ZINC000238403929 360996264 /nfs/dbraw/zinc/99/62/64/360996264.db2.gz BTPLKSGIXHPXFG-UHFFFAOYSA-N 1 0 221.178 2.053 10 0 BEAERO CC1(C)CN(C/C(Cl)=C\Cl)CC[C@@H]1[NH3+] ZINC000379518005 360998231 /nfs/dbraw/zinc/99/82/31/360998231.db2.gz AECLIHRACSFJFG-QRJSTWQJSA-N 1 0 237.174 2.365 10 0 BEAERO C[C@H](C[NH3+])CNc1ccc(Cl)cc1F ZINC000306613565 361086011 /nfs/dbraw/zinc/08/60/11/361086011.db2.gz KUVVSFXPXHSIMD-SSDOTTSWSA-N 1 0 216.687 2.486 10 0 BEAERO [NH3+]C[C@H](c1sccc1Cl)N1CCCC1 ZINC000306613249 361080579 /nfs/dbraw/zinc/08/05/79/361080579.db2.gz KLEFGPSFXZNDRH-SECBINFHSA-N 1 0 230.764 2.497 10 0 BEAERO [NH3+]Cc1cncc(Cl)c1OC(F)(F)F ZINC000238571627 361157661 /nfs/dbraw/zinc/15/76/61/361157661.db2.gz DRLJMTQHUWUYEX-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])c1cc(Cl)cnc1N ZINC000069943638 361177444 /nfs/dbraw/zinc/17/74/44/361177444.db2.gz PHVAJJONPAGZFQ-HZGVNTEJSA-N 1 0 213.712 2.363 10 0 BEAERO C[C@@H](c1sccc1Cl)N1CC[NH2+]CC1 ZINC000306622571 361236020 /nfs/dbraw/zinc/23/60/20/361236020.db2.gz ASXWGDZQQIULAT-QMMMGPOBSA-N 1 0 230.764 2.368 10 0 BEAERO [NH3+]C1(C(=O)OCC2CCCCC2)CCCC1 ZINC000052145441 181329404 /nfs/dbraw/zinc/32/94/04/181329404.db2.gz YJTXEJRJJMLYFG-UHFFFAOYSA-N 1 0 225.332 2.381 10 0 BEAERO [NH3+]C1(C(=O)OC2CCCCC2)CCCC1 ZINC000048632150 181329978 /nfs/dbraw/zinc/32/99/78/181329978.db2.gz CSLYYJQXPZPWIA-UHFFFAOYSA-N 1 0 211.305 2.134 10 0 BEAERO [NH3+]C1(c2c(F)cccc2Cl)CCOCC1 ZINC000036906428 181331714 /nfs/dbraw/zinc/33/17/14/181331714.db2.gz GZVSEKNUBAZZFM-UHFFFAOYSA-N 1 0 229.682 2.444 10 0 BEAERO [NH3+]C1(C(=O)c2cccc(F)c2)CCCC1 ZINC000071510262 181331370 /nfs/dbraw/zinc/33/13/70/181331370.db2.gz XLYNSTNKXSIAKL-UHFFFAOYSA-N 1 0 207.248 2.280 10 0 BEAERO [NH3+]C1(c2nc(-c3ccccn3)c[nH]2)CCCC1 ZINC000037616857 181334918 /nfs/dbraw/zinc/33/49/18/181334918.db2.gz OBHQREKYTCXMQQ-UHFFFAOYSA-N 1 0 228.299 2.200 10 0 BEAERO [NH3+]C12C[C@H]3CC(C[C@@H](C1)c1ccccc13)O2 ZINC000045337606 181336717 /nfs/dbraw/zinc/33/67/17/181336717.db2.gz CFHUMIMPNRPZKV-QLHKPRNWSA-N 1 0 215.296 2.495 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(CC)Cc1ccoc1 ZINC000629601235 361492814 /nfs/dbraw/zinc/49/28/14/361492814.db2.gz HZDYXVSRKGUTBG-ZYHUDNBSSA-N 1 0 238.331 2.002 10 0 BEAERO C[C@H]1CCC[C@H](CCN2CCC(=O)C2)C1 ZINC000070532643 361531517 /nfs/dbraw/zinc/53/15/17/361531517.db2.gz MYQNFOKMYVROSQ-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000310003506 491159004 /nfs/dbraw/zinc/15/90/04/491159004.db2.gz FPSCYWLDOOGMGI-GMXVVIOVSA-N 1 0 226.364 2.022 10 0 BEAERO [NH2+]=C1N[C@H](C2CCC2)Nc2cccc(F)c21 ZINC000013493543 181339339 /nfs/dbraw/zinc/33/93/39/181339339.db2.gz TWDKMKHCHFFGDT-GFCCVEGCSA-N 1 0 219.263 2.083 10 0 BEAERO [NH2+]=C1N[C@@H](Cc2c[nH]c3ccccc23)CS1 ZINC000031573112 181339454 /nfs/dbraw/zinc/33/94/54/181339454.db2.gz HPRYYZRCAOOUFJ-VIFPVBQESA-N 1 0 231.324 2.141 10 0 BEAERO Cc1c(C[NH2+][C@@]23C[C@@H]2CCCC3)cnn1C ZINC000631225508 361579193 /nfs/dbraw/zinc/57/91/93/361579193.db2.gz JSPOASODDRDYDL-STQMWFEESA-N 1 0 219.332 2.151 10 0 BEAERO CNC(=[NH2+])c1ccc(Br)s1 ZINC000070598082 361582063 /nfs/dbraw/zinc/58/20/63/361582063.db2.gz WSQXHBBIHXUYFM-UHFFFAOYSA-N 1 0 219.107 2.055 10 0 BEAERO [NH3+]C1CC(Nc2cccc(C(F)(F)F)n2)C1 ZINC000044271876 181340176 /nfs/dbraw/zinc/34/01/76/181340176.db2.gz KKTRYXJGILYMNO-UHFFFAOYSA-N 1 0 231.221 2.002 10 0 BEAERO Cc1sc(C(F)(F)F)nc1[C@@H](C)[NH3+] ZINC000306638473 361586285 /nfs/dbraw/zinc/58/62/85/361586285.db2.gz CEDHBRSFHRQLSC-GSVOUGTGSA-N 1 0 210.224 2.490 10 0 BEAERO Clc1ccc(SC[C@H]2CC[NH2+]C2)nc1 ZINC000070615578 361631689 /nfs/dbraw/zinc/63/16/89/361631689.db2.gz BJJZLNPYYJGIJC-QMMMGPOBSA-N 1 0 228.748 2.437 10 0 BEAERO Clc1cccnc1S[C@H]1CC[NH2+]C1 ZINC000070615602 361631914 /nfs/dbraw/zinc/63/19/14/361631914.db2.gz RLGGJOSLSYFWOZ-ZETCQYMHSA-N 1 0 214.721 2.189 10 0 BEAERO [NH3+]C1CC(Nc2ncccc2C(F)(F)F)C1 ZINC000036268790 181340428 /nfs/dbraw/zinc/34/04/28/181340428.db2.gz FLBUNTZSRVYOSP-UHFFFAOYSA-N 1 0 231.221 2.002 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000310036234 491159793 /nfs/dbraw/zinc/15/97/93/491159793.db2.gz UIRZVRJOFBQUOL-DRZSPHRISA-N 1 0 226.364 2.022 10 0 BEAERO [NH3+]C1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000055143421 181342724 /nfs/dbraw/zinc/34/27/24/181342724.db2.gz NFIWPKCXJQJXOJ-UHFFFAOYSA-N 1 0 226.707 2.384 10 0 BEAERO [NH3+]C1CCC([S@](=O)C2CCCCC2)CC1 ZINC000055144892 181342402 /nfs/dbraw/zinc/34/24/02/181342402.db2.gz YJFWUJSNWFXCBJ-QHAMSDLMSA-N 1 0 229.389 2.338 10 0 BEAERO CC(=O)NC1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000155201114 201304903 /nfs/dbraw/zinc/30/49/03/201304903.db2.gz NUABHAHCZWRBNQ-QFWMXSHPSA-N 1 0 226.364 2.068 10 0 BEAERO [NH3+]C1CCC(c2nc(-c3ccco3)no2)CC1 ZINC000054445117 181342777 /nfs/dbraw/zinc/34/27/77/181342777.db2.gz KHYSFMILVSIKGD-UHFFFAOYSA-N 1 0 233.271 2.315 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C=O)o1 ZINC000161262160 363865576 /nfs/dbraw/zinc/86/55/76/363865576.db2.gz UWXQVUFCAKFNGK-SNVBAGLBSA-N 1 0 207.273 2.467 10 0 BEAERO C[C@H]1CCCC[N@@H+]1Cc1ccc(C=O)o1 ZINC000161262276 363865712 /nfs/dbraw/zinc/86/57/12/363865712.db2.gz UWXQVUFCAKFNGK-JTQLQIEISA-N 1 0 207.273 2.467 10 0 BEAERO CC(C)([NH3+])C(=O)CCCOCc1ccccc1 ZINC000306477519 541313370 /nfs/dbraw/zinc/31/33/70/541313370.db2.gz ACLWOLHTDGPDEK-UHFFFAOYSA-N 1 0 235.327 2.290 10 0 BEAERO CC(C)(C[NH3+])[C@H](O)c1sccc1Cl ZINC000306817820 541314358 /nfs/dbraw/zinc/31/43/58/541314358.db2.gz BPQKHCMZQGPSSZ-MRVPVSSYSA-N 1 0 219.737 2.420 10 0 BEAERO Fc1cc(F)c(F)c2c3c([nH]c21)C[NH2+]CC3 ZINC000725253913 541331248 /nfs/dbraw/zinc/33/12/48/541331248.db2.gz QPNQZAHTNQACPA-UHFFFAOYSA-N 1 0 226.201 2.231 10 0 BEAERO CCCN(CCC)C(=O)C1CCC([NH3+])CC1 ZINC000037481684 364063498 /nfs/dbraw/zinc/06/34/98/364063498.db2.gz UYNIAPCYOATMGE-UHFFFAOYSA-N 1 0 226.364 2.153 10 0 BEAERO CO[C@@H]1CN(CCCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630366433 364086161 /nfs/dbraw/zinc/08/61/61/364086161.db2.gz KLHDANVAOUYKBX-UONOGXRCSA-N 1 0 240.391 2.005 10 0 BEAERO CO[C@H]1CN(CCCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630366432 364086547 /nfs/dbraw/zinc/08/65/47/364086547.db2.gz KLHDANVAOUYKBX-KGLIPLIRSA-N 1 0 240.391 2.005 10 0 BEAERO OC1CC(C[NH2+]Cc2coc3ccccc23)C1 ZINC000131015193 370732562 /nfs/dbraw/zinc/73/25/62/370732562.db2.gz JSABWGXOURYTBC-UHFFFAOYSA-N 1 0 231.295 2.293 10 0 BEAERO NCC([NH3+])(Cc1ccccc1)Cc1ccccc1 ZINC000035676969 181357159 /nfs/dbraw/zinc/35/71/59/181357159.db2.gz GRWKNBPOGBTZMN-UHFFFAOYSA-N 1 0 240.350 2.128 10 0 BEAERO CCC[C@H](C)C(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264596 541337447 /nfs/dbraw/zinc/33/74/47/541337447.db2.gz XQANPNOAEVXKPY-OUCADQQQSA-N 1 0 238.375 2.214 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1nccc2ccccc21 ZINC000630519548 364203395 /nfs/dbraw/zinc/20/33/95/364203395.db2.gz VKHFQAWQZYQYGS-SNVBAGLBSA-N 1 0 215.300 2.255 10 0 BEAERO C[C@H]1CC[C@@H](Nc2nccc3occc32)C[NH2+]1 ZINC000630531597 364219177 /nfs/dbraw/zinc/21/91/77/364219177.db2.gz BRMLJHUMATWUTI-VHSXEESVSA-N 1 0 231.299 2.380 10 0 BEAERO [NH3+]CC1(N2CCc3ccccc32)CCCC1 ZINC000019480403 181360664 /nfs/dbraw/zinc/36/06/64/181360664.db2.gz IIVRFMYADYEBIX-UHFFFAOYSA-N 1 0 216.328 2.321 10 0 BEAERO CC(C)c1cc(N2CCCCC[C@H]([NH3+])C2)ncn1 ZINC000630551137 364244958 /nfs/dbraw/zinc/24/49/58/364244958.db2.gz ZXRYVNRYXHQJHH-LBPRGKRZSA-N 1 0 248.374 2.308 10 0 BEAERO C[C@@H]1CN(c2ccc3ccccc3n2)C[C@@H]1C[NH3+] ZINC000630566697 364263686 /nfs/dbraw/zinc/26/36/86/364263686.db2.gz FLGODRVILRPHRH-YPMHNXCESA-N 1 0 241.338 2.266 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ncnc3ccccc32)C[NH2+]1 ZINC000630533498 364226248 /nfs/dbraw/zinc/22/62/48/364226248.db2.gz CQOWQVAYOOTHIM-MNOVXSKESA-N 1 0 242.326 2.182 10 0 BEAERO CCc1cc(CC)nc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630534326 364228246 /nfs/dbraw/zinc/22/82/46/364228246.db2.gz WFCPEPQNIYESCA-GXFFZTMASA-N 1 0 248.374 2.154 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ncc(Cl)cc2F)C[NH2+]1 ZINC000630535223 364229566 /nfs/dbraw/zinc/22/95/66/364229566.db2.gz SDLMQHCDOLSTNJ-IONNQARKSA-N 1 0 243.713 2.427 10 0 BEAERO [NH3+]CC1(Nc2ncnc3c2CCC3)CCCCC1 ZINC000104320826 181361885 /nfs/dbraw/zinc/36/18/85/181361885.db2.gz SBCNNXQXXXCNQH-UHFFFAOYSA-N 1 0 246.358 2.039 10 0 BEAERO [NH3+]CC1(c2ccc(-c3ccccc3)nn2)CC1 ZINC000095908448 181361899 /nfs/dbraw/zinc/36/18/99/181361899.db2.gz IWWWGDXOIPYUPU-UHFFFAOYSA-N 1 0 225.295 2.134 10 0 BEAERO COc1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037622780 364339405 /nfs/dbraw/zinc/33/94/05/364339405.db2.gz IRCJEEYRXFVROJ-UHFFFAOYSA-N 1 0 248.326 2.151 10 0 BEAERO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCCSC1 ZINC000134805940 364414154 /nfs/dbraw/zinc/41/41/54/364414154.db2.gz MKTYBAJANGBSPE-VXGBXAGGSA-N 1 0 230.421 2.202 10 0 BEAERO [NH3+]CC1=CCOc2c(Br)cccc21 ZINC000071485585 181363845 /nfs/dbraw/zinc/36/38/45/181363845.db2.gz RIFDMKPFQDSWLU-UHFFFAOYSA-N 1 0 240.100 2.184 10 0 BEAERO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)C(F)(F)F ZINC000136404526 364469716 /nfs/dbraw/zinc/46/97/16/364469716.db2.gz GANJIOAVRHWMLC-HLTSFMKQSA-N 1 0 225.254 2.173 10 0 BEAERO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@@H](C)CO ZINC000135125864 541361737 /nfs/dbraw/zinc/36/17/37/541361737.db2.gz RRIPGLDGXXHUTN-NXEZZACHSA-N 1 0 241.306 2.113 10 0 BEAERO C[NH+](C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000170863398 364544946 /nfs/dbraw/zinc/54/49/46/364544946.db2.gz RQBYJMRBYCRGRK-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO CC(C)=CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246992277 364615661 /nfs/dbraw/zinc/61/56/61/364615661.db2.gz FHBAIIFNTGAXPE-OLZOCXBDSA-N 1 0 208.349 2.121 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1C)C(N)=O ZINC000264898277 364721135 /nfs/dbraw/zinc/72/11/35/364721135.db2.gz VGTBPKKMYZCGST-WCQYABFASA-N 1 0 234.343 2.218 10 0 BEAERO CC[NH2+]CCCNc1ccc(OC(F)F)cn1 ZINC000327679216 364793222 /nfs/dbraw/zinc/79/32/22/364793222.db2.gz CGJCKIMALQCETK-UHFFFAOYSA-N 1 0 245.273 2.095 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000328205508 364817943 /nfs/dbraw/zinc/81/79/43/364817943.db2.gz TXNPRKVWLQSSHG-QWHCGFSZSA-N 1 0 236.359 2.285 10 0 BEAERO [NH3+]CCC1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000053705626 181371699 /nfs/dbraw/zinc/37/16/99/181371699.db2.gz JZACNCBGCHYVKZ-UHFFFAOYSA-N 1 0 244.342 2.128 10 0 BEAERO [NH3+]C1CCC(c2nccn2C2CC2)CC1 ZINC000675061250 541386658 /nfs/dbraw/zinc/38/66/58/541386658.db2.gz YNOLNDCPVJJBSU-UHFFFAOYSA-N 1 0 205.305 2.203 10 0 BEAERO [NH3+]CCCCCNC(=S)Nc1ccccc1 ZINC000001544817 181375366 /nfs/dbraw/zinc/37/53/66/181375366.db2.gz WMVYKFYMCPIMOG-UHFFFAOYSA-N 1 0 237.372 2.102 10 0 BEAERO [NH3+]CCCCCc1ccc2c(c1)CCO2 ZINC000083256208 181375411 /nfs/dbraw/zinc/37/54/11/181375411.db2.gz LDHGQEXYEWJOMV-UHFFFAOYSA-N 1 0 205.301 2.293 10 0 BEAERO [NH3+]CCCCOc1ccc(F)c(F)c1 ZINC000036749887 181378813 /nfs/dbraw/zinc/37/88/13/181378813.db2.gz DVGXSDZPIANOBV-UHFFFAOYSA-N 1 0 201.216 2.083 10 0 BEAERO C[C@H]1C[C@H]([N@@H+]2CCNC[C@H]2C)C[C@@H](C)C1 ZINC000250918942 541441190 /nfs/dbraw/zinc/44/11/90/541441190.db2.gz ZIHFKVJATPZKCY-XQHKEYJVSA-N 1 0 210.365 2.105 10 0 BEAERO CCOC(=O)C1(C[NH3+])CC(CC)(CC)C1 ZINC000083164655 541449955 /nfs/dbraw/zinc/44/99/55/541449955.db2.gz YWZYLGVLFVSDDC-UHFFFAOYSA-N 1 0 213.321 2.095 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000252548979 541450219 /nfs/dbraw/zinc/45/02/19/541450219.db2.gz NFINELIEMYHCAE-USWWRNFRSA-N 1 0 202.301 2.457 10 0 BEAERO [NH3+]CCCNc1ccc(Br)cc1 ZINC000020232104 181382900 /nfs/dbraw/zinc/38/29/00/181382900.db2.gz SUXHWUIXTDNBKR-UHFFFAOYSA-N 1 0 229.121 2.210 10 0 BEAERO [NH3+]CCCNc1ccc(F)c(Cl)c1 ZINC000020232148 181383364 /nfs/dbraw/zinc/38/33/64/181383364.db2.gz NAYRGGSHEHWMMN-UHFFFAOYSA-N 1 0 202.660 2.240 10 0 BEAERO [NH3+]CCC[S@](=O)c1ccc2ccccc2c1 ZINC000040954914 181385540 /nfs/dbraw/zinc/38/55/40/181385540.db2.gz MBXKDUVJFMSPFQ-MRXNPFEDSA-N 1 0 233.336 2.296 10 0 BEAERO [NH3+]CCN(c1ncccc1Cl)C1CCCC1 ZINC000053706171 181390176 /nfs/dbraw/zinc/39/01/76/181390176.db2.gz GRHXFALDGBTJFU-UHFFFAOYSA-N 1 0 239.750 2.443 10 0 BEAERO [NH3+]CCN(c1ccc2ccccc2n1)C1CC1 ZINC000104324398 181390420 /nfs/dbraw/zinc/39/04/20/181390420.db2.gz WITWHGOWRKXCCV-UHFFFAOYSA-N 1 0 227.311 2.162 10 0 BEAERO [NH3+]CCN(C(=O)c1ccccc1)C1CCCCC1 ZINC000020183532 181390696 /nfs/dbraw/zinc/39/06/96/181390696.db2.gz OEJIBKBWZIUHPG-UHFFFAOYSA-N 1 0 246.354 2.420 10 0 BEAERO [NH3+]CCN(C(=O)c1ccccc1)c1ccccc1 ZINC000020234458 181391079 /nfs/dbraw/zinc/39/10/79/181391079.db2.gz WOCFMZOKSZZTHQ-UHFFFAOYSA-N 1 0 240.306 2.292 10 0 BEAERO [NH3+]CCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000037902515 181394212 /nfs/dbraw/zinc/39/42/12/181394212.db2.gz LSIWPOBSDXHKDZ-UHFFFAOYSA-N 1 0 248.113 2.074 10 0 BEAERO [NH3+]CC[C@@H](O)Cc1ccc(Cl)cc1Cl ZINC000041262190 181402838 /nfs/dbraw/zinc/40/28/38/181402838.db2.gz QFZHEQWDVICBNG-SECBINFHSA-N 1 0 234.126 2.246 10 0 BEAERO [NH3+]CCOc1ccc(-c2ccccc2F)nc1 ZINC000090609944 181399675 /nfs/dbraw/zinc/39/96/75/181399675.db2.gz BZINEUBEORMCAP-UHFFFAOYSA-N 1 0 232.258 2.225 10 0 BEAERO [NH3+]CCc1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000036876272 181413415 /nfs/dbraw/zinc/41/34/15/181413415.db2.gz ZOOOOKBNLVSZGE-UHFFFAOYSA-N 1 0 221.691 2.231 10 0 BEAERO [NH3+]CCc1nccc(C(F)(F)F)c1Cl ZINC000095768324 181414092 /nfs/dbraw/zinc/41/40/92/181414092.db2.gz QHXJIBMJVMNQAU-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]C[C@@H](Nc1ccccc1)c1ccco1 ZINC000057491146 181421621 /nfs/dbraw/zinc/42/16/21/181421621.db2.gz WHXSEQJIINKLQV-LLVKDONJSA-N 1 0 202.257 2.392 10 0 BEAERO [NH3+]C[C@@H](Oc1cc(F)cc(F)c1)C(F)(F)F ZINC000054932131 181423379 /nfs/dbraw/zinc/42/33/79/181423379.db2.gz BLEFJXONLOHTLA-MRVPVSSYSA-N 1 0 241.159 2.233 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173809105 365448214 /nfs/dbraw/zinc/44/82/14/365448214.db2.gz OOEVLCLTJMIMDS-OLZOCXBDSA-N 1 0 248.374 2.371 10 0 BEAERO CC[NH2+]Cc1cnn2c1ccc(C)c2C ZINC000685947501 541496751 /nfs/dbraw/zinc/49/67/51/541496751.db2.gz OQEJRWYCKJPCBV-UHFFFAOYSA-N 1 0 203.289 2.061 10 0 BEAERO CCC[C@@H](C)C(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947590 541496760 /nfs/dbraw/zinc/49/67/60/541496760.db2.gz MHLUZIBYRRZQJV-XSRFYTQQSA-N 1 0 226.364 2.199 10 0 BEAERO CCC[C@H](C)C(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947592 541496905 /nfs/dbraw/zinc/49/69/05/541496905.db2.gz MHLUZIBYRRZQJV-ZBOXLXRLSA-N 1 0 226.364 2.199 10 0 BEAERO CC(C)C1CC([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000380261969 367162791 /nfs/dbraw/zinc/16/27/91/367162791.db2.gz RUXNZKMPHOIVAL-HTAVTVPLSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000380584166 367247160 /nfs/dbraw/zinc/24/71/60/367247160.db2.gz ZAMNTUIRYVOUAU-RYUDHWBXSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000380584168 367247339 /nfs/dbraw/zinc/24/73/39/367247339.db2.gz ZAMNTUIRYVOUAU-VXGBXAGGSA-N 1 0 238.375 2.023 10 0 BEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000380589988 367247777 /nfs/dbraw/zinc/24/77/77/367247777.db2.gz TWYRQCVSXRFTSK-GHMZBOCLSA-N 1 0 248.326 2.099 10 0 BEAERO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000381363030 367387963 /nfs/dbraw/zinc/38/79/63/367387963.db2.gz DLWXAHGYWLUPQN-AGIUHOORSA-N 1 0 231.355 2.369 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000381910464 367469679 /nfs/dbraw/zinc/46/96/79/367469679.db2.gz ZPUSRSIMDKLGSS-HUUCEWRRSA-N 1 0 249.354 2.096 10 0 BEAERO C[C@@H](CC[NH2+][C@@H]1C[C@H]1CO)c1ccccc1 ZINC000382204883 367498415 /nfs/dbraw/zinc/49/84/15/367498415.db2.gz FWMHGRSVWRFAQN-FPMFFAJLSA-N 1 0 219.328 2.151 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncnc3sccc32)C1 ZINC000382457365 367525923 /nfs/dbraw/zinc/52/59/23/367525923.db2.gz RTMUUONIFDXHGU-RKDXNWHRSA-N 1 0 248.355 2.231 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncnc3ccccc32)C1 ZINC000382472259 367529759 /nfs/dbraw/zinc/52/97/59/367529759.db2.gz QOOFAECSCCAOQW-MNOVXSKESA-N 1 0 242.326 2.169 10 0 BEAERO CC(C)c1cc(N[C@H]2CC[C@H](C[NH3+])C2)ncn1 ZINC000382488120 367530866 /nfs/dbraw/zinc/53/08/66/367530866.db2.gz HGDNSQBAIPIMGT-QWRGUYRKSA-N 1 0 234.347 2.139 10 0 BEAERO CCc1cc(CC)nc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382433783 367523206 /nfs/dbraw/zinc/52/32/06/367523206.db2.gz SZQHHXMMYRAWPR-GXFFZTMASA-N 1 0 248.374 2.141 10 0 BEAERO CCCN(CC1CC1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384296188 367682959 /nfs/dbraw/zinc/68/29/59/367682959.db2.gz XIGLYXRBUKIZAW-YPMHNXCESA-N 1 0 238.375 2.023 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384501090 367694036 /nfs/dbraw/zinc/69/40/36/367694036.db2.gz CKJAHLIZIPEMBT-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO COC[C@@H]([NH3+])c1ccc(C)cc1Br ZINC000161664725 370870979 /nfs/dbraw/zinc/87/09/79/370870979.db2.gz NTAKVBKPNJHSFV-SNVBAGLBSA-N 1 0 244.132 2.404 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000385078910 367784779 /nfs/dbraw/zinc/78/47/79/367784779.db2.gz HMUZBFRNONNXTR-OUAUKWLOSA-N 1 0 233.302 2.267 10 0 BEAERO Cc1cc2ccccc2nc1N1CC[C@H]([NH3+])[C@@H]1C ZINC000385212756 367809247 /nfs/dbraw/zinc/80/92/47/367809247.db2.gz KIWBLVIJPBEWQD-AAEUAGOBSA-N 1 0 241.338 2.469 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000075926698 367978851 /nfs/dbraw/zinc/97/88/51/367978851.db2.gz YASZJQILMBBZMV-CVEARBPZSA-N 1 0 241.334 2.160 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000075926694 367978884 /nfs/dbraw/zinc/97/88/84/367978884.db2.gz YASZJQILMBBZMV-HOTGVXAUSA-N 1 0 241.334 2.160 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000075951846 367981520 /nfs/dbraw/zinc/98/15/20/367981520.db2.gz USTQWSXTPXSCQL-OAHLLOKOSA-N 1 0 239.318 2.368 10 0 BEAERO Cc1cnc(NCC2([NH3+])CCCCC2)nc1C ZINC000386689305 368010051 /nfs/dbraw/zinc/01/00/51/368010051.db2.gz RLPWOVDIASMJSW-UHFFFAOYSA-N 1 0 234.347 2.167 10 0 BEAERO C[NH+]1CCC2(COc3ccccc32)CC1 ZINC000038951373 368327423 /nfs/dbraw/zinc/32/74/23/368327423.db2.gz LKMOKFJULSQBCR-UHFFFAOYSA-N 1 0 203.285 2.042 10 0 BEAERO Cc1ccc(OCc2ccc(C[NH3+])cc2)nc1 ZINC000059680145 368334184 /nfs/dbraw/zinc/33/41/84/368334184.db2.gz GKPPIYBIJGIZCH-UHFFFAOYSA-N 1 0 228.295 2.428 10 0 BEAERO C[C@](C[NH3+])(NCc1ccccc1)C(F)(F)F ZINC000165874890 368396762 /nfs/dbraw/zinc/39/67/62/368396762.db2.gz HGHVIDBNXSETQD-SNVBAGLBSA-N 1 0 232.249 2.056 10 0 BEAERO CCN1CC[N@H+](CC)[C@@H](c2ccccc2)C1 ZINC000105088111 368386642 /nfs/dbraw/zinc/38/66/42/368386642.db2.gz GKSICERYUXFYML-CQSZACIVSA-N 1 0 218.344 2.385 10 0 BEAERO C[C@@H]([NH3+])c1nn(C)c2c1cccc2Cl ZINC000107449096 368489912 /nfs/dbraw/zinc/48/99/12/368489912.db2.gz VZZANOOMKCPQQS-ZCFIWIBFSA-N 1 0 209.680 2.246 10 0 BEAERO O=C(C1CC1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000253167902 368581542 /nfs/dbraw/zinc/58/15/42/368581542.db2.gz YFWVFYFQPQFRLB-JLLWLGSASA-N 1 0 207.317 2.276 10 0 BEAERO Fc1ccc2nc(C3CC[NH2+]CC3)oc2c1 ZINC000082523945 368691034 /nfs/dbraw/zinc/69/10/34/368691034.db2.gz YAAVWFANPKDIGK-UHFFFAOYSA-N 1 0 220.247 2.434 10 0 BEAERO C[NH+]1CCC([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000003621404 368876176 /nfs/dbraw/zinc/87/61/76/368876176.db2.gz FLNPMFIPMFSRQX-GJZGRUSLSA-N 1 0 231.339 2.234 10 0 BEAERO CCCC1(c2cccc(O)c2)C[NH+](C)C1 ZINC000003631960 368876197 /nfs/dbraw/zinc/87/61/97/368876197.db2.gz CFDYNSALJJBAEH-UHFFFAOYSA-N 1 0 205.301 2.376 10 0 BEAERO Cc1cc(-c2ncc(C[NH3+])cc2C)ccn1 ZINC000113389584 368891750 /nfs/dbraw/zinc/89/17/50/368891750.db2.gz OXOQFAARMFKCKH-UHFFFAOYSA-N 1 0 213.284 2.219 10 0 BEAERO Nc1ccc([C@@H]2CNC(=[NH2+])c3ccccc32)cc1 ZINC000114426390 368939677 /nfs/dbraw/zinc/93/96/77/368939677.db2.gz UPWQEZZIGKLFKK-AWEZNQCLSA-N 1 0 237.306 2.120 10 0 BEAERO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)C(C)(C)C ZINC000114474295 368941174 /nfs/dbraw/zinc/94/11/74/368941174.db2.gz GAOMXVBIFSIEDD-GFCCVEGCSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@@H]([NH2+]Cc1cn2cccnc2n1)C(C)(C)C ZINC000114474737 368941232 /nfs/dbraw/zinc/94/12/32/368941232.db2.gz FUFZAXCKBAZSOW-SNVBAGLBSA-N 1 0 232.331 2.254 10 0 BEAERO C[C@H](CC(N)=S)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000225159506 369017741 /nfs/dbraw/zinc/01/77/41/369017741.db2.gz OQKNWTJPVYQZOS-OPRDCNLKSA-N 1 0 214.378 2.029 10 0 BEAERO [NH3+]C[C@@]1(Cc2c(F)cccc2Cl)CCOC1 ZINC000054637738 181441244 /nfs/dbraw/zinc/44/12/44/181441244.db2.gz FXSLSDALXZBQJD-LBPRGKRZSA-N 1 0 243.709 2.387 10 0 BEAERO NC[C@H](C1CCCC1)[NH+]1CCCCCC1 ZINC000050272041 181442156 /nfs/dbraw/zinc/44/21/56/181442156.db2.gz YPPZWWVLBJUCOG-CYBMUJFWSA-N 1 0 210.365 2.380 10 0 BEAERO [NH3+][C@]1(c2cccc(Br)c2)CCOC1 ZINC000105638714 369060521 /nfs/dbraw/zinc/06/05/21/369060521.db2.gz XLHVFJWPJVTGMG-SNVBAGLBSA-N 1 0 242.116 2.023 10 0 BEAERO [NH3+]C[C@H](Oc1cccnc1)c1ccccc1 ZINC000052646491 181453153 /nfs/dbraw/zinc/45/31/53/181453153.db2.gz QPBLVMRHHIHFNE-ZDUSSCGKSA-N 1 0 214.268 2.160 10 0 BEAERO [NH3+]C[C@H](c1ccco1)N1CCc2sccc2C1 ZINC000022223299 181454467 /nfs/dbraw/zinc/45/44/67/181454467.db2.gz AHUIVKSOFRUJHI-LLVKDONJSA-N 1 0 248.351 2.399 10 0 BEAERO NC(=[NH2+])CSc1cccc(Br)c1 ZINC000055307944 369189618 /nfs/dbraw/zinc/18/96/18/369189618.db2.gz JYJIZHQXLMBJPT-UHFFFAOYSA-N 1 0 245.145 2.477 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOCC1CCCC1 ZINC000459521823 203294876 /nfs/dbraw/zinc/29/48/76/203294876.db2.gz UMEJDJQZDFOQIV-OCCSQVGLSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCOCC1CCCC1 ZINC000459521821 203295623 /nfs/dbraw/zinc/29/56/23/203295623.db2.gz UMEJDJQZDFOQIV-GXTWGEPZSA-N 1 0 241.375 2.038 10 0 BEAERO [NH3+]Cc1ccc(F)c(COCC(F)(F)F)c1 ZINC000019387098 181483305 /nfs/dbraw/zinc/48/33/05/181483305.db2.gz RYYZDRHWFMVKGN-UHFFFAOYSA-N 1 0 237.196 2.363 10 0 BEAERO [NH3+]Cc1ccc(OCC(F)(F)C(F)F)cc1 ZINC000020352315 181485367 /nfs/dbraw/zinc/48/53/67/181485367.db2.gz LICSXPVUXZHBEY-UHFFFAOYSA-N 1 0 237.196 2.425 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2CO)ccn1 ZINC000621277524 370209242 /nfs/dbraw/zinc/20/92/42/370209242.db2.gz MRCZGUGDKPRMER-UONOGXRCSA-N 1 0 234.343 2.031 10 0 BEAERO Cc1cc(C[N@@H+]2CCC[C@@H]2CCCO)ccn1 ZINC000621254258 370187184 /nfs/dbraw/zinc/18/71/84/370187184.db2.gz NOWKIRXMNPNAGT-CQSZACIVSA-N 1 0 234.343 2.127 10 0 BEAERO CC(C)(C)c1cc(C[NH3+])n(-c2ccccn2)n1 ZINC000113515749 370417715 /nfs/dbraw/zinc/41/77/15/370417715.db2.gz UEBYLDWEXHKHFP-UHFFFAOYSA-N 1 0 230.315 2.024 10 0 BEAERO CC1(C)[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@H]2CCO[C@H]21 ZINC000621734636 370491840 /nfs/dbraw/zinc/49/18/40/370491840.db2.gz RHFRJDTYYSVHHN-GWOFURMSSA-N 1 0 245.313 2.435 10 0 BEAERO CC(C)(C[NH3+])Cc1ccc(Br)cn1 ZINC000161610408 370575359 /nfs/dbraw/zinc/57/53/59/370575359.db2.gz WULCJIJEDHDVNT-UHFFFAOYSA-N 1 0 243.148 2.372 10 0 BEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000092052822 371077869 /nfs/dbraw/zinc/07/78/69/371077869.db2.gz NDKHNGAJTAXILL-HIFRSBDPSA-N 1 0 248.370 2.058 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)[C@H]1CCCCO1 ZINC000623896901 371145308 /nfs/dbraw/zinc/14/53/08/371145308.db2.gz BSLNVRSYVOYJTD-REWJHTLYSA-N 1 0 241.375 2.085 10 0 BEAERO [NH3+][C@@H](Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000052944862 181554925 /nfs/dbraw/zinc/55/49/25/181554925.db2.gz WCLUJRYYWMVNFG-JQWIXIFHSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1 ZINC000013861276 181556383 /nfs/dbraw/zinc/55/63/83/181556383.db2.gz YASZJQILMBBZMV-JKSUJKDBSA-N 1 0 241.334 2.160 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C1CCCC1 ZINC000054685932 181557386 /nfs/dbraw/zinc/55/73/86/181557386.db2.gz JYIYTPHWOKLCEB-KBPBESRZSA-N 1 0 219.328 2.108 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000037466721 181558460 /nfs/dbraw/zinc/55/84/60/181558460.db2.gz YGCIGOXVLDVJHX-RYUDHWBXSA-N 1 0 223.291 2.265 10 0 BEAERO [NH3+][C@@H](c1ccc2c(c1)OCCCO2)C1CC1 ZINC000019968015 181564822 /nfs/dbraw/zinc/56/48/22/181564822.db2.gz QPOUYUZBWPQSOR-CYBMUJFWSA-N 1 0 219.284 2.258 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1Nc1ncccc1C(F)(F)F ZINC000063177431 181584761 /nfs/dbraw/zinc/58/47/61/181584761.db2.gz ZKDPQHYBIMQEDQ-RKDXNWHRSA-N 1 0 245.248 2.392 10 0 BEAERO [NH3+][C@H](Cc1cccc(F)c1)c1ccncc1 ZINC000037992515 181626421 /nfs/dbraw/zinc/62/64/21/181626421.db2.gz RKIGPADBEIKXAU-CYBMUJFWSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)Cc1ccncc1 ZINC000053134653 181626515 /nfs/dbraw/zinc/62/65/15/181626515.db2.gz QXKJKUUMACSWMI-CQSZACIVSA-N 1 0 212.296 2.194 10 0 BEAERO [NH3+][C@H](Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC000048627465 181627358 /nfs/dbraw/zinc/62/73/58/181627358.db2.gz FHSCYEIJPWBHAS-ZYHUDNBSSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H]1Cc2[nH]c3cc(Cl)ccc3c2C1 ZINC000082378399 181600868 /nfs/dbraw/zinc/60/08/68/181600868.db2.gz JMQDWOHPQHPAAT-ZETCQYMHSA-N 1 0 206.676 2.247 10 0 BEAERO [NH3+][C@H]1CCc2nc(-c3ccco3)sc2C1 ZINC000071522468 181654836 /nfs/dbraw/zinc/65/48/36/181654836.db2.gz FEMYOYBCLVKRBF-ZETCQYMHSA-N 1 0 220.297 2.219 10 0 BEAERO [NH3+][C@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095072333 181644832 /nfs/dbraw/zinc/64/48/32/181644832.db2.gz LPDHKGVWKWLLGL-VIFPVBQESA-N 1 0 233.340 2.224 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1OCCc1ccccc1 ZINC000034958176 181648805 /nfs/dbraw/zinc/64/88/05/181648805.db2.gz JCGHSNAJPQNWHW-QWHCGFSZSA-N 1 0 205.301 2.126 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1cc(Br)ccc1F ZINC000037381326 181658893 /nfs/dbraw/zinc/65/88/93/181658893.db2.gz JBBSYADOBQRXPS-APPZFPTMSA-N 1 0 230.080 2.403 10 0 BEAERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235042 371423077 /nfs/dbraw/zinc/42/30/77/371423077.db2.gz CAXYNGXOAVGCOB-UONOGXRCSA-N 1 0 243.391 2.187 10 0 BEAERO Nc1cccc2c1CC[N@H+](C[C@H]1CCCOC1)C2 ZINC000104305794 181749609 /nfs/dbraw/zinc/74/96/09/181749609.db2.gz TYJVWSFGKNKFKN-GFCCVEGCSA-N 1 0 246.354 2.054 10 0 BEAERO Nc1ccccc1S[C@H]1CCC[NH2+]C1 ZINC000043501734 181758376 /nfs/dbraw/zinc/75/83/76/181758376.db2.gz SZOOITRDLDSJAK-VIFPVBQESA-N 1 0 208.330 2.113 10 0 BEAERO C/C(=C\CC[NH3+])C(F)(F)Br ZINC000225682972 371565523 /nfs/dbraw/zinc/56/55/23/371565523.db2.gz WSDOHWXTPFPABX-HWKANZROSA-N 1 0 214.053 2.269 10 0 BEAERO F[C@@H](C1CC[NH2+]CC1)C(F)(F)Br ZINC000225683867 371565531 /nfs/dbraw/zinc/56/55/31/371565531.db2.gz IERDSJNPPKNMHX-LURJTMIESA-N 1 0 246.070 2.312 10 0 BEAERO C[NH2+][C@H]1COc2cc(F)c(Br)cc21 ZINC000131369751 371596062 /nfs/dbraw/zinc/59/60/62/371596062.db2.gz PDIBXVWVBBHSMN-QMMMGPOBSA-N 1 0 246.079 2.241 10 0 BEAERO C[C@H]([NH2+]CCC(N)=O)c1ccc2ccccc2c1 ZINC000028919624 371677021 /nfs/dbraw/zinc/67/70/21/371677021.db2.gz LSVWIKKCRUCXKK-NSHDSACASA-N 1 0 242.322 2.366 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)CC1 ZINC000215727081 371621615 /nfs/dbraw/zinc/62/16/15/371621615.db2.gz IFKMBAMNISCQMK-CYBMUJFWSA-N 1 0 219.328 2.378 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cccc(CO)c2)CC1 ZINC000215726917 371621712 /nfs/dbraw/zinc/62/17/12/371621712.db2.gz JKACOQKRYHORGN-ZDUSSCGKSA-N 1 0 219.328 2.378 10 0 BEAERO CC[C@](C)([NH3+])C(=O)c1ccc(F)cc1F ZINC000226662514 371720178 /nfs/dbraw/zinc/72/01/78/371720178.db2.gz AIGINSAGBAZROE-NSHDSACASA-N 1 0 213.227 2.275 10 0 BEAERO Cc1cccc(C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000226563597 371698343 /nfs/dbraw/zinc/69/83/43/371698343.db2.gz IXDXTYQJVHSIIV-VXGBXAGGSA-N 1 0 201.269 2.081 10 0 BEAERO O=C(C1CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000226581789 371701703 /nfs/dbraw/zinc/70/17/03/371701703.db2.gz YFWVFYFQPQFRLB-DLOVCJGASA-N 1 0 207.317 2.276 10 0 BEAERO C1CC(S[C@H]2CCCC[NH2+]C2)CCO1 ZINC000132166306 371760026 /nfs/dbraw/zinc/76/00/26/371760026.db2.gz LTRRGYUPHGODSY-NSHDSACASA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)(C)OC(=O)Nc1cc(C[NH3+])ccc1O ZINC000217074050 371882449 /nfs/dbraw/zinc/88/24/49/371882449.db2.gz RFYOOTUDPNJAMA-UHFFFAOYSA-N 1 0 238.287 2.198 10 0 BEAERO CC(C)[C@]1(C[NH3+])CCCN1C(=O)OC(C)(C)C ZINC000217340898 371939654 /nfs/dbraw/zinc/93/96/54/371939654.db2.gz JJEBZSQGWNITOM-CYBMUJFWSA-N 1 0 242.363 2.371 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000227556663 371890361 /nfs/dbraw/zinc/89/03/61/371890361.db2.gz NHDLATHUSRQORY-AXFHLTTASA-N 1 0 242.363 2.430 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000163017933 371911875 /nfs/dbraw/zinc/91/18/75/371911875.db2.gz NBPWLPKLBGERLA-SNVBAGLBSA-N 1 0 245.681 2.432 10 0 BEAERO Cc1sccc1[C@@](O)(C[NH3+])C(C)(C)C ZINC000227751436 371930856 /nfs/dbraw/zinc/93/08/56/371930856.db2.gz JVZSADYJYHKRCO-NSHDSACASA-N 1 0 213.346 2.249 10 0 BEAERO CC(C)C(=O)C[N@@H+]1CC[C@H]2CCCC[C@H]21 ZINC000227997230 371969295 /nfs/dbraw/zinc/96/92/95/371969295.db2.gz YBYMDZIMAWTILN-VXGBXAGGSA-N 1 0 209.333 2.476 10 0 BEAERO O=C1CC[C@H]([N@@H+]2CC[C@@H]3CCCC[C@H]32)C1 ZINC000227997720 371969362 /nfs/dbraw/zinc/96/93/62/371969362.db2.gz HBZOWCMHLJEJQJ-GMXVVIOVSA-N 1 0 207.317 2.373 10 0 BEAERO CC(C)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]21 ZINC000227997223 371969458 /nfs/dbraw/zinc/96/94/58/371969458.db2.gz YBYMDZIMAWTILN-NWDGAFQWSA-N 1 0 209.333 2.476 10 0 BEAERO CCc1nc(-c2cncs2)sc1C[NH3+] ZINC000163336299 371977628 /nfs/dbraw/zinc/97/76/28/371977628.db2.gz RKJWZXGKNCJCPO-UHFFFAOYSA-N 1 0 225.342 2.288 10 0 BEAERO CSc1nnc(S[C@H]2CCC[NH2+]C2)s1 ZINC000228043651 371981322 /nfs/dbraw/zinc/98/13/22/371981322.db2.gz OPNXSKMJTDWTFP-LURJTMIESA-N 1 0 247.414 2.104 10 0 BEAERO Fc1ccc(SCC2C[NH2+]C2)c(F)c1 ZINC000306147790 371990280 /nfs/dbraw/zinc/99/02/80/371990280.db2.gz ADRVJHASUNYHGL-UHFFFAOYSA-N 1 0 215.268 2.276 10 0 BEAERO CC(C)[C@H]([NH3+])[C@H]1SCCS[C@@H]1C ZINC000228104350 371991524 /nfs/dbraw/zinc/99/15/24/371991524.db2.gz MNKBIFWTIQJYGT-VGMNWLOBSA-N 1 0 205.392 2.207 10 0 BEAERO CC[NH2+][C@H](C)[C@H]1SCCS[C@@H]1C ZINC000228131840 371995258 /nfs/dbraw/zinc/99/52/58/371995258.db2.gz HZMKHTZVNRULIO-IWSPIJDZSA-N 1 0 205.392 2.222 10 0 BEAERO CCNc1ccc(C[NH3+])c(Br)c1 ZINC000228151270 371997934 /nfs/dbraw/zinc/99/79/34/371997934.db2.gz SETXIWCWPUHCNK-UHFFFAOYSA-N 1 0 229.121 2.340 10 0 BEAERO [NH3+]Cc1ccc(NC2CC2)cc1Br ZINC000228151317 371998511 /nfs/dbraw/zinc/99/85/11/371998511.db2.gz YHOWHMMINXWYQM-UHFFFAOYSA-N 1 0 241.132 2.482 10 0 BEAERO Cc1cnccc1[C@H]([NH3+])c1ccsc1 ZINC000132911147 371947407 /nfs/dbraw/zinc/94/74/07/371947407.db2.gz VBHMEICNNKQXET-LLVKDONJSA-N 1 0 204.298 2.500 10 0 BEAERO Cc1cnccc1[C@@H]([NH3+])c1ccsc1 ZINC000132911333 371947574 /nfs/dbraw/zinc/94/75/74/371947574.db2.gz VBHMEICNNKQXET-NSHDSACASA-N 1 0 204.298 2.500 10 0 BEAERO Cc1sccc1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000227881766 371955184 /nfs/dbraw/zinc/95/51/84/371955184.db2.gz OPHGKXDCZWPOOV-IONNQARKSA-N 1 0 209.314 2.237 10 0 BEAERO [NH3+][C@@H](COCc1ccccc1)C1=COCCC1 ZINC000306640830 372049364 /nfs/dbraw/zinc/04/93/64/372049364.db2.gz PWNKDYFSQFXGDX-AWEZNQCLSA-N 1 0 233.311 2.225 10 0 BEAERO CC[C@H]([NH3+])Cc1coc(Br)c1 ZINC000306676243 372054278 /nfs/dbraw/zinc/05/42/78/372054278.db2.gz VPJLGTWFHCXVMO-ZETCQYMHSA-N 1 0 218.094 2.322 10 0 BEAERO C[C@@H]([NH3+])c1cc2c(cc1Br)OCO2 ZINC000003705537 372056825 /nfs/dbraw/zinc/05/68/25/372056825.db2.gz ZPXVZRFLPIKCNH-RXMQYKEDSA-N 1 0 244.088 2.198 10 0 BEAERO CCNc1ccc(C(N)=[NH2+])c(Br)c1 ZINC000228244431 372007200 /nfs/dbraw/zinc/00/72/00/372007200.db2.gz RBENJONBTICHTE-UHFFFAOYSA-N 1 0 242.120 2.165 10 0 BEAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])c2cnsn2)C1 ZINC000163533923 372009328 /nfs/dbraw/zinc/00/93/28/372009328.db2.gz UGMGHRWZFLFDBR-WEDXCCLWSA-N 1 0 211.334 2.364 10 0 BEAERO Cc1ccc(Cl)c(N[C@H]2CC[NH2+]C2)c1 ZINC000232229171 372116521 /nfs/dbraw/zinc/11/65/21/372116521.db2.gz ZQZDSMLKCHINBO-VIFPVBQESA-N 1 0 210.708 2.422 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](NOCc2ccccc2)C1 ZINC000133501377 372064509 /nfs/dbraw/zinc/06/45/09/372064509.db2.gz RXNVRTFYWXCTBL-AWEZNQCLSA-N 1 0 234.343 2.191 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](NOCc2ccccc2)C1 ZINC000133501592 372064668 /nfs/dbraw/zinc/06/46/68/372064668.db2.gz RXNVRTFYWXCTBL-CQSZACIVSA-N 1 0 234.343 2.191 10 0 BEAERO C[C@H]([NH2+]Cc1ccccc1)c1ccncn1 ZINC000306880973 372074598 /nfs/dbraw/zinc/07/45/98/372074598.db2.gz LEWZQQJVVMACBW-NSHDSACASA-N 1 0 213.284 2.327 10 0 BEAERO CSCCCN(CC[NH3+])Cc1ccccc1 ZINC000231784342 372078634 /nfs/dbraw/zinc/07/86/34/372078634.db2.gz ZKTXZZGLNCQQMZ-UHFFFAOYSA-N 1 0 238.400 2.200 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1cc(F)c(F)cc1F ZINC000228763347 372079123 /nfs/dbraw/zinc/07/91/23/372079123.db2.gz HYQOSLCTPVTJNR-JTQLQIEISA-N 1 0 247.216 2.057 10 0 BEAERO C[C@@](O)(C[NH3+])Cc1cccc(Cl)c1Cl ZINC000228841346 372084434 /nfs/dbraw/zinc/08/44/34/372084434.db2.gz APFXNEIFRMLGAK-JTQLQIEISA-N 1 0 234.126 2.246 10 0 BEAERO [NH3+]CC[C@H]1COc2cc3c(cc21)CCC3 ZINC000606304445 372094692 /nfs/dbraw/zinc/09/46/92/372094692.db2.gz ZFQYIQGWBDUSOH-NSHDSACASA-N 1 0 203.285 2.000 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc(F)cc1 ZINC000032012539 372134659 /nfs/dbraw/zinc/13/46/59/372134659.db2.gz CZKFUUXODKJMEV-RYUDHWBXSA-N 1 0 211.280 2.233 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1cccc(Cl)c1F ZINC000229247216 372131700 /nfs/dbraw/zinc/13/17/00/372131700.db2.gz DZWHCZXLWKGPMD-SECBINFHSA-N 1 0 245.681 2.432 10 0 BEAERO C[C@@H](C[NH3+])Oc1ccc(Cl)c(F)c1 ZINC000134370225 372200302 /nfs/dbraw/zinc/20/03/02/372200302.db2.gz QEOBDCPQZHZNOH-LURJTMIESA-N 1 0 203.644 2.205 10 0 BEAERO C/C=C/C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000038293670 372531187 /nfs/dbraw/zinc/53/11/87/372531187.db2.gz RDCSOXNFDYSZJY-SNAWJCMRSA-N 1 0 221.300 2.370 10 0 BEAERO C[C@@H]1CN(Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000631837157 372628001 /nfs/dbraw/zinc/62/80/01/372628001.db2.gz NOTOHMCBKYUKHK-SCZZXKLOSA-N 1 0 244.791 2.428 10 0 BEAERO COc1ccc(F)cc1C(=O)C1CC[NH2+]CC1 ZINC000008492987 372739072 /nfs/dbraw/zinc/73/90/72/372739072.db2.gz OMQFUDXELKVQNN-UHFFFAOYSA-N 1 0 237.274 2.017 10 0 BEAERO C(C1CCOCC1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000171825997 372785441 /nfs/dbraw/zinc/78/54/41/372785441.db2.gz MTYUIYHPIGOFGP-KGLIPLIRSA-N 1 0 239.359 2.056 10 0 BEAERO C(C1CCOCC1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000171825993 372786177 /nfs/dbraw/zinc/78/61/77/372786177.db2.gz MTYUIYHPIGOFGP-ZIAGYGMSSA-N 1 0 239.359 2.056 10 0 BEAERO O=C(C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000039204363 182016626 /nfs/dbraw/zinc/01/66/26/182016626.db2.gz OTMIJRNUMNXFBO-LBPRGKRZSA-N 1 0 203.285 2.402 10 0 BEAERO CC[NH2+]Cc1cc2ccc(C)cc2n(CC)c1=O ZINC000039288578 372931991 /nfs/dbraw/zinc/93/19/91/372931991.db2.gz URLILSVIYUDLAY-UHFFFAOYSA-N 1 0 244.338 2.439 10 0 BEAERO C[NH2+]C/C(C)=C\c1ccc(Br)cn1 ZINC000379249046 372964039 /nfs/dbraw/zinc/96/40/39/372964039.db2.gz LOKYVMDZSSLYPE-YVMONPNESA-N 1 0 241.132 2.467 10 0 BEAERO O=C(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000041279485 182034620 /nfs/dbraw/zinc/03/46/20/182034620.db2.gz LJPVAJJYSRQUFR-UHFFFAOYSA-N 1 0 237.730 2.451 10 0 BEAERO O=C(Cc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000041279475 182045447 /nfs/dbraw/zinc/04/54/47/182045447.db2.gz RDKUPDXWLGGEAJ-LLVKDONJSA-N 1 0 237.730 2.451 10 0 BEAERO c1sc(C[C@@H]2CCC[NH2+]2)nc1C1CC1 ZINC000068906454 373087563 /nfs/dbraw/zinc/08/75/63/373087563.db2.gz YGJCIPUMZRYOQT-VIFPVBQESA-N 1 0 208.330 2.315 10 0 BEAERO CCn1nccc1[C@@H]([NH3+])c1ccsc1 ZINC000069024990 373108136 /nfs/dbraw/zinc/10/81/36/373108136.db2.gz JWPRFKBPCWZJJB-JTQLQIEISA-N 1 0 207.302 2.013 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000040502087 373359898 /nfs/dbraw/zinc/35/98/98/373359898.db2.gz HAKUNHCIOLVBJS-NSHDSACASA-N 1 0 224.373 2.322 10 0 BEAERO O=C(NC1CCCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000019409670 182114783 /nfs/dbraw/zinc/11/47/83/182114783.db2.gz YAAFBDNTLJTIPX-LBPRGKRZSA-N 1 0 238.375 2.215 10 0 BEAERO CN1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040672425 373588590 /nfs/dbraw/zinc/58/85/90/373588590.db2.gz ZCBXTTOLDSAPRQ-STQMWFEESA-N 1 0 208.349 2.027 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCCN(C)C1)c1ccccc1 ZINC000040672428 373589172 /nfs/dbraw/zinc/58/91/72/373589172.db2.gz LJBDHYKBJVSYSZ-UKRRQHHQSA-N 1 0 232.371 2.474 10 0 BEAERO CCOc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1 ZINC000040673183 373592258 /nfs/dbraw/zinc/59/22/58/373592258.db2.gz BEHDBQGVYWYIKI-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)CCC2CC2)c1 ZINC000186392428 205722214 /nfs/dbraw/zinc/72/22/14/205722214.db2.gz JMSVYROSCOUNDI-GFCCVEGCSA-N 1 0 221.348 2.360 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)CCC2CC2)c1 ZINC000186392411 205722242 /nfs/dbraw/zinc/72/22/42/205722242.db2.gz JMSVYROSCOUNDI-LBPRGKRZSA-N 1 0 221.348 2.360 10 0 BEAERO CN1CCCC[C@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799141 373807356 /nfs/dbraw/zinc/80/73/56/373807356.db2.gz BGMKFAOTMVIHHI-GXSJLCMTSA-N 1 0 210.346 2.232 10 0 BEAERO Cc1cc([C@@H]2[C@@H]([NH3+])CCN2C)c(C)s1 ZINC000069799068 373807571 /nfs/dbraw/zinc/80/75/71/373807571.db2.gz CSXFVOZKOIPULA-WDEREUQCSA-N 1 0 210.346 2.069 10 0 BEAERO O=C(NCC[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000019436518 182200074 /nfs/dbraw/zinc/20/00/74/182200074.db2.gz IKDKRDXNHWWHNF-CYBMUJFWSA-N 1 0 238.375 2.215 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ncccc1Cl ZINC000070010626 374109600 /nfs/dbraw/zinc/10/96/00/374109600.db2.gz FIJHCXAAFUEYPN-SECBINFHSA-N 1 0 213.712 2.130 10 0 BEAERO C[C@H](NC1=[NH+]C[C@@H](C)S1)c1nccs1 ZINC000070734416 374184433 /nfs/dbraw/zinc/18/44/33/374184433.db2.gz OXJNNLINXRDDJW-RQJHMYQMSA-N 1 0 227.358 2.285 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761687 170036693 /nfs/dbraw/zinc/03/66/93/170036693.db2.gz NBAPERNKSXZUFC-NWDGAFQWSA-N 1 0 210.365 2.106 10 0 BEAERO O=C(Nc1cc(F)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000150966453 182349810 /nfs/dbraw/zinc/34/98/10/182349810.db2.gz RPPCMIIEILOJDD-SSDOTTSWSA-N 1 0 242.681 2.027 10 0 BEAERO CCCC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000020245955 168871535 /nfs/dbraw/zinc/87/15/35/168871535.db2.gz SQGHSTXUIALSDC-UHFFFAOYSA-N 1 0 230.315 2.157 10 0 BEAERO O=C(c1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000041215708 182680438 /nfs/dbraw/zinc/68/04/38/182680438.db2.gz SKGYSRXERQEBQB-SECBINFHSA-N 1 0 207.248 2.008 10 0 BEAERO CCCCOCC[NH2+][C@H]1CCCSC1 ZINC000061588933 168904088 /nfs/dbraw/zinc/90/40/88/168904088.db2.gz BFACNWYIVJVQBR-NSHDSACASA-N 1 0 217.378 2.288 10 0 BEAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C1CCCC1 ZINC000113487575 183001073 /nfs/dbraw/zinc/00/10/73/183001073.db2.gz HBMPARVDXWZOQL-GFCCVEGCSA-N 1 0 232.327 2.285 10 0 BEAERO O=c1ccoc2cc(Cn3ccnc3)ccc12 ZINC000013861991 183007115 /nfs/dbraw/zinc/00/71/15/183007115.db2.gz KLOFOSXNENLIKT-UHFFFAOYSA-N 1 0 226.235 2.038 10 0 in-vivo BEAERO CCCC[C@@H](CC)CC[NH2+][C@H](C)C(=O)NC ZINC000128742381 168956267 /nfs/dbraw/zinc/95/62/67/168956267.db2.gz YIQILEUAKDEQON-VXGBXAGGSA-N 1 0 228.380 2.317 10 0 BEAERO OC1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000019919068 183027372 /nfs/dbraw/zinc/02/73/72/183027372.db2.gz LSUMCUPOBGLNFX-ORHYLEIMSA-N 1 0 247.338 2.403 10 0 BEAERO OC1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000019919070 183029250 /nfs/dbraw/zinc/02/92/50/183029250.db2.gz LSUMCUPOBGLNFX-YIZWMMSDSA-N 1 0 247.338 2.403 10 0 BEAERO CCCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)o1 ZINC000037619931 168969755 /nfs/dbraw/zinc/96/97/55/168969755.db2.gz VWGMEEKQYMVASP-GHMZBOCLSA-N 1 0 238.331 2.283 10 0 BEAERO OC1(C[NH2+]CCc2cccnc2)CCCCCC1 ZINC000037894745 183020184 /nfs/dbraw/zinc/02/01/84/183020184.db2.gz FEMRZBFRGGAWGG-UHFFFAOYSA-N 1 0 248.370 2.299 10 0 BEAERO OCCCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000229106996 183046678 /nfs/dbraw/zinc/04/66/78/183046678.db2.gz PUHXRFTUCSIJOY-ZDUSSCGKSA-N 1 0 235.327 2.132 10 0 BEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1Cc2ccccc21 ZINC000090981453 183032105 /nfs/dbraw/zinc/03/21/05/183032105.db2.gz WFKGVSHLLQMEOB-RDGKXADDSA-N 1 0 243.350 2.314 10 0 BEAERO OCC1([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000126355944 183037528 /nfs/dbraw/zinc/03/75/28/183037528.db2.gz VXBUNPHYCNJVIL-UHFFFAOYSA-N 1 0 217.721 2.016 10 0 BEAERO OCCCSCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309611360 183061426 /nfs/dbraw/zinc/06/14/26/183061426.db2.gz ZOEDQUURCBVNNQ-NWDGAFQWSA-N 1 0 249.395 2.220 10 0 BEAERO OCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000037250563 183079664 /nfs/dbraw/zinc/07/96/64/183079664.db2.gz UCGMEXNWWQSYNP-GFCCVEGCSA-N 1 0 225.719 2.373 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000128033996 183095732 /nfs/dbraw/zinc/09/57/32/183095732.db2.gz PWWSYKKPTYOTIA-JTQLQIEISA-N 1 0 241.281 2.169 10 0 BEAERO OC[C@@H]1CCCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000374054686 183115133 /nfs/dbraw/zinc/11/51/33/183115133.db2.gz ZRBZIEVYXWPYMQ-OLZOCXBDSA-N 1 0 209.333 2.190 10 0 BEAERO CCCC[C@]([NH3+])(CO)Cc1ccccc1 ZINC000118311411 169015160 /nfs/dbraw/zinc/01/51/60/169015160.db2.gz HTDZEACPLKPNFM-CYBMUJFWSA-N 1 0 207.317 2.109 10 0 BEAERO OC[C@@H]1CCCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000250859514 183116973 /nfs/dbraw/zinc/11/69/73/183116973.db2.gz RNYLZDOJNOEKLM-KGLIPLIRSA-N 1 0 231.339 2.173 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)NCC(CC)CC ZINC000083347979 169006394 /nfs/dbraw/zinc/00/63/94/169006394.db2.gz FKWHMMPGMVIUKH-NSHDSACASA-N 1 0 214.353 2.056 10 0 BEAERO OCC[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000301000452 183098335 /nfs/dbraw/zinc/09/83/35/183098335.db2.gz VSJPFXHTOFMJOS-GHMZBOCLSA-N 1 0 233.302 2.126 10 0 BEAERO OC[C@@H]([NH2+]CCCF)c1ccc(Cl)cc1 ZINC000272814268 183107869 /nfs/dbraw/zinc/10/78/69/183107869.db2.gz DAHYLASNPCANQW-LLVKDONJSA-N 1 0 231.698 2.323 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000335937727 183131758 /nfs/dbraw/zinc/13/17/58/183131758.db2.gz GDFLYIKQVOMGFR-WCQYABFASA-N 1 0 223.360 2.460 10 0 BEAERO CCCCc1ccc([C@@](C)(C[NH3+])CO)cc1 ZINC000071523569 169023464 /nfs/dbraw/zinc/02/34/64/169023464.db2.gz GBXXYZZYWJCULW-AWEZNQCLSA-N 1 0 221.344 2.238 10 0 BEAERO CCCCc1ccc([C@](C)(O)C[NH2+]C)cc1 ZINC000036160673 169024946 /nfs/dbraw/zinc/02/49/46/169024946.db2.gz RTHFZEULQHWPTH-CQSZACIVSA-N 1 0 221.344 2.456 10 0 BEAERO CCCCc1ccc([C@](C)(C[NH3+])CO)cc1 ZINC000071523570 169024965 /nfs/dbraw/zinc/02/49/65/169024965.db2.gz GBXXYZZYWJCULW-CQSZACIVSA-N 1 0 221.344 2.238 10 0 BEAERO CCCCn1c(N)[nH+]c2cc(OC)c(OC)cc21 ZINC000075415199 169033664 /nfs/dbraw/zinc/03/36/64/169033664.db2.gz HFSFBISKCNONTM-UHFFFAOYSA-N 1 0 249.314 2.436 10 0 BEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000219001749 183147742 /nfs/dbraw/zinc/14/77/42/183147742.db2.gz HQJGEUBRCLOQMI-TZMCWYRMSA-N 1 0 237.318 2.466 10 0 BEAERO CCCN(C(=O)C1([NH3+])CCCCC1)C(C)C ZINC000037096214 169040656 /nfs/dbraw/zinc/04/06/56/169040656.db2.gz MXHAYDSLTJZSHW-UHFFFAOYSA-N 1 0 226.364 2.295 10 0 BEAERO OC[C@]1([NH2+]C2CCCC2)CCc2ccccc21 ZINC000038122758 183158652 /nfs/dbraw/zinc/15/86/52/183158652.db2.gz TYRLILBUVSVJPT-OAHLLOKOSA-N 1 0 231.339 2.353 10 0 BEAERO OC[C@]1([NH2+]Cc2cccs2)CCCSC1 ZINC000061590908 183159112 /nfs/dbraw/zinc/15/91/12/183159112.db2.gz IBSGDNXNQHJYFY-LLVKDONJSA-N 1 0 243.397 2.096 10 0 BEAERO OCc1ccc(Cl)cc1[C@H]1CCC[NH2+]1 ZINC000072202030 183164294 /nfs/dbraw/zinc/16/42/94/183164294.db2.gz FOMGDRHMEKJUPM-LLVKDONJSA-N 1 0 211.692 2.257 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)c1cc(Cl)ccc1F ZINC000083264713 183177121 /nfs/dbraw/zinc/17/71/21/183177121.db2.gz LZLKCBFEYWYLJM-NSHDSACASA-N 1 0 229.682 2.265 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)c1c(F)cccc1Cl ZINC000032015824 183178070 /nfs/dbraw/zinc/17/80/70/183178070.db2.gz KYPZXOBWRODWDE-JTQLQIEISA-N 1 0 229.682 2.265 10 0 BEAERO O[C@@H](c1c(F)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000041251915 183184472 /nfs/dbraw/zinc/18/44/72/183184472.db2.gz LOMYMMWSHHSIDE-MWLCHTKSSA-N 1 0 229.682 2.265 10 0 BEAERO O[C@@H](c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000032012629 183184621 /nfs/dbraw/zinc/18/46/21/183184621.db2.gz LVFIHQWHTRBXQD-QWRGUYRKSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H](c1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000036159627 183184912 /nfs/dbraw/zinc/18/49/12/183184912.db2.gz VVFCJUFGVWIZQL-IMTBSYHQSA-N 1 0 217.721 2.187 10 0 BEAERO O[C@@H](C[NH+]1CCCC1)c1ccccc1Cl ZINC000019784881 183176561 /nfs/dbraw/zinc/17/65/61/183176561.db2.gz PIZOTVFAOKXIOI-LBPRGKRZSA-N 1 0 225.719 2.469 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1F ZINC000089164687 183196077 /nfs/dbraw/zinc/19/60/77/183196077.db2.gz DPICXMDLJDRMMY-BXKDBHETSA-N 1 0 241.281 2.215 10 0 BEAERO O[C@@H]1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000041225908 183200290 /nfs/dbraw/zinc/20/02/90/183200290.db2.gz XRZQAVLNSRKLHS-GHMZBOCLSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H](c1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000041218387 183186126 /nfs/dbraw/zinc/18/61/26/183186126.db2.gz PTPFYOFEDJEFPG-RYUDHWBXSA-N 1 0 209.264 2.001 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000335620180 183187662 /nfs/dbraw/zinc/18/76/62/183187662.db2.gz GZIYWDXEUKABFK-DGCLKSJQSA-N 1 0 223.360 2.460 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000077204122 183188459 /nfs/dbraw/zinc/18/84/59/183188459.db2.gz UENJHSACLNKCNV-TZMCWYRMSA-N 1 0 237.318 2.466 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000045629502 183189427 /nfs/dbraw/zinc/18/94/27/183189427.db2.gz GMSUKELKMRJWFW-RWMBFGLXSA-N 1 0 209.333 2.236 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000037490601 183189676 /nfs/dbraw/zinc/18/96/76/183189676.db2.gz JPAIYTGSQOJXTB-UONOGXRCSA-N 1 0 219.328 2.122 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH+]1CC2(C1)CCCC2 ZINC000123320499 183190122 /nfs/dbraw/zinc/19/01/22/183190122.db2.gz QMWMTUISYRTVQN-VXGBXAGGSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC000037741277 183190305 /nfs/dbraw/zinc/19/03/05/183190305.db2.gz OAUPAONWMJGLFO-CHWSQXEVSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@H](CC1CCCC1)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000352857758 183219540 /nfs/dbraw/zinc/21/95/40/183219540.db2.gz JNKOXOIXMMPFTM-MCIONIFRSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@H](CC[NH2+]CC1CCOCC1)c1ccccc1 ZINC000289450093 183219597 /nfs/dbraw/zinc/21/95/97/183219597.db2.gz NBWXGLUHQABGDT-OAHLLOKOSA-N 1 0 249.354 2.126 10 0 BEAERO O[C@H](C[NH+]1CCCC1)c1ccccc1Cl ZINC000019784882 183220629 /nfs/dbraw/zinc/22/06/29/183220629.db2.gz PIZOTVFAOKXIOI-GFCCVEGCSA-N 1 0 225.719 2.469 10 0 BEAERO O[C@H](C[NH2+]C1CCC1)c1cccc(F)c1 ZINC000052209931 183222583 /nfs/dbraw/zinc/22/25/83/183222583.db2.gz VWBSKOBKZQONBX-GFCCVEGCSA-N 1 0 209.264 2.001 10 0 BEAERO O[C@H](C[NH2+]C1CC1)c1ccc(Cl)c(F)c1 ZINC000055029449 183223265 /nfs/dbraw/zinc/22/32/65/183223265.db2.gz HVRXETSPZAMBJB-LLVKDONJSA-N 1 0 229.682 2.265 10 0 BEAERO CCCN(C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000020225876 169085942 /nfs/dbraw/zinc/08/59/42/169085942.db2.gz UUHDGOHMSVLBSK-ZDUSSCGKSA-N 1 0 222.332 2.037 10 0 BEAERO O[C@H](c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000034273280 183228140 /nfs/dbraw/zinc/22/81/40/183228140.db2.gz DBZBXEVTIAXPOA-NWDGAFQWSA-N 1 0 209.264 2.001 10 0 BEAERO CCCN(C)[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042960737 169088237 /nfs/dbraw/zinc/08/82/37/169088237.db2.gz WAGIAVCSLYQGLO-RISCZKNCSA-N 1 0 236.359 2.425 10 0 BEAERO CCC[N@H+](C1CC1)[C@H]1COc2ccccc2[C@@H]1N ZINC000037097173 169091650 /nfs/dbraw/zinc/09/16/50/169091650.db2.gz MPEKAABXLNKUBC-ZFWWWQNUSA-N 1 0 246.354 2.322 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000037741851 183238680 /nfs/dbraw/zinc/23/86/80/183238680.db2.gz MORWKOKQBWFACQ-OLZOCXBDSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@]1(c2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000071559606 183251742 /nfs/dbraw/zinc/25/17/42/183251742.db2.gz RFPXZCXMMBGXTE-LLVKDONJSA-N 1 0 245.244 2.276 10 0 BEAERO O[C@]1(c2ccc(F)c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000061987942 183252071 /nfs/dbraw/zinc/25/20/71/183252071.db2.gz VBDQFJWSWYRYJK-CYBMUJFWSA-N 1 0 239.265 2.021 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cccnc1)CC2 ZINC000019339012 183252529 /nfs/dbraw/zinc/25/25/29/183252529.db2.gz YLXVDEWNLHNDPV-GJZGRUSLSA-N 1 0 246.354 2.209 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000125645246 183232320 /nfs/dbraw/zinc/23/23/20/183232320.db2.gz IOCVGJKAJIXVFB-OLZOCXBDSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccs1 ZINC000077204853 183232864 /nfs/dbraw/zinc/23/28/64/183232864.db2.gz HCVRHONRWFQAOZ-JQWIXIFHSA-N 1 0 225.357 2.389 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577626 183233552 /nfs/dbraw/zinc/23/35/52/183233552.db2.gz PDUBGGUAZAAGGU-OLZOCXBDSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@H]1CCC[N@H+](C[C@H]2CCCC2(F)F)CC1 ZINC000336144742 183234520 /nfs/dbraw/zinc/23/45/20/183234520.db2.gz RBNWSEAZJRCMJY-MNOVXSKESA-N 1 0 233.302 2.269 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000037164913 183234902 /nfs/dbraw/zinc/23/49/02/183234902.db2.gz VEWJZJXSMJXHGI-MNOVXSKESA-N 1 0 211.330 2.141 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000037164916 183237103 /nfs/dbraw/zinc/23/71/03/183237103.db2.gz VEWJZJXSMJXHGI-QWRGUYRKSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000037489983 183237820 /nfs/dbraw/zinc/23/78/20/183237820.db2.gz IGYFYVCNGZIDTP-NEPJUHHUSA-N 1 0 225.719 2.343 10 0 BEAERO Oc1ccc(CCNc2cc[nH+]cc2)cc1 ZINC000040736759 183269229 /nfs/dbraw/zinc/26/92/29/183269229.db2.gz NTRCZHJPTXMNKD-UHFFFAOYSA-N 1 0 214.268 2.442 10 0 BEAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]CCc1ccco1 ZINC000035661586 183281619 /nfs/dbraw/zinc/28/16/19/183281619.db2.gz QMPCYDLCKOPXNY-ZDUSSCGKSA-N 1 0 245.278 2.251 10 0 BEAERO CCCN(CC1CC1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367995016 169135398 /nfs/dbraw/zinc/13/53/98/169135398.db2.gz XIGLYXRBUKIZAW-DGCLKSJQSA-N 1 0 238.375 2.023 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000019432147 169144747 /nfs/dbraw/zinc/14/47/47/169144747.db2.gz HBHXGDJOWYECMX-NWDGAFQWSA-N 1 0 226.364 2.166 10 0 BEAERO CCC[NH+](CCC)C[C@@H](N)CC(C)C ZINC000039141045 169146971 /nfs/dbraw/zinc/14/69/71/169146971.db2.gz ORNBJSRGPVXGEI-LBPRGKRZSA-N 1 0 200.370 2.482 10 0 BEAERO Oc1ccc2c(c1)[C@H]1CCC[NH2+][C@@H]1CC2 ZINC000029558930 183283657 /nfs/dbraw/zinc/28/36/57/183283657.db2.gz IETCXPRUYLQUEH-DGCLKSJQSA-N 1 0 203.285 2.174 10 0 BEAERO CCCN(CCC[NH3+])C(=O)c1ccc(F)cc1 ZINC000034960070 169156037 /nfs/dbraw/zinc/15/60/37/169156037.db2.gz VIXHFJRSDGTYQT-UHFFFAOYSA-N 1 0 238.306 2.027 10 0 BEAERO CCCN(CC[NH3+])Cc1ccc(C)cc1C ZINC000076610457 169157644 /nfs/dbraw/zinc/15/76/44/169157644.db2.gz ZMHPSKFIDFQQKD-UHFFFAOYSA-N 1 0 220.360 2.474 10 0 BEAERO CCCN(CC[NH3+])c1nc2ccccc2nc1C ZINC000104311336 169157710 /nfs/dbraw/zinc/15/77/10/169157710.db2.gz QDIFNUSBHQJJOM-UHFFFAOYSA-N 1 0 244.342 2.113 10 0 BEAERO CCCN(CC[NH2+]C)Cc1cccc(F)c1F ZINC000042404298 169159218 /nfs/dbraw/zinc/15/92/18/169159218.db2.gz UJYAGTMAGHDQCL-UHFFFAOYSA-N 1 0 242.313 2.396 10 0 BEAERO Oc1cccc(C[C@@H]2CCCCC[NH2+]2)c1 ZINC000076639821 183292666 /nfs/dbraw/zinc/29/26/66/183292666.db2.gz XINOKMHWZHILEP-LBPRGKRZSA-N 1 0 205.301 2.467 10 0 BEAERO CCCN(CC[NH2+]CCCOCC)CC1CC1 ZINC000053427602 169159549 /nfs/dbraw/zinc/15/95/49/169159549.db2.gz SFCPDJQPRZAMEY-UHFFFAOYSA-N 1 0 242.407 2.125 10 0 BEAERO Oc1cccnc1OCCC[C@H]1CCCC[NH2+]1 ZINC000095073857 183304977 /nfs/dbraw/zinc/30/49/77/183304977.db2.gz JYSLXWOFFPKOLU-LLVKDONJSA-N 1 0 236.315 2.088 10 0 BEAERO CCCN(c1cccc(OCC)n1)[C@@H]1CC[NH2+]C1 ZINC000104122332 169182988 /nfs/dbraw/zinc/18/29/88/169182988.db2.gz RCFHRJAFIMTNAN-GFCCVEGCSA-N 1 0 249.358 2.059 10 0 BEAERO c1c[nH]c(-c2cnc(C[NH2+]C3CC3)s2)c1 ZINC000083241376 183323950 /nfs/dbraw/zinc/32/39/50/183323950.db2.gz NGLOAENYYJHVNC-UHFFFAOYSA-N 1 0 219.313 2.390 10 0 BEAERO CCC[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062609113 169194921 /nfs/dbraw/zinc/19/49/21/169194921.db2.gz WJCASWSTXUXDJG-AWEZNQCLSA-N 1 0 218.344 2.433 10 0 BEAERO CCC[N@@H+]1CCC[C@@H](c2csc(N)n2)C1 ZINC000026937343 169195255 /nfs/dbraw/zinc/19/52/55/169195255.db2.gz GOVJAWLZFVFXRD-SECBINFHSA-N 1 0 225.361 2.315 10 0 BEAERO c1nc2c(nccc2C2CC[NH2+]CC2)s1 ZINC000074078696 183337274 /nfs/dbraw/zinc/33/72/74/183337274.db2.gz MKJKZLQLVBOERO-UHFFFAOYSA-N 1 0 219.313 2.158 10 0 BEAERO c1cc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)ccn1 ZINC000031994645 183341427 /nfs/dbraw/zinc/34/14/27/183341427.db2.gz XUWBWOUKLOMAIP-OAHLLOKOSA-N 1 0 245.370 2.047 10 0 BEAERO c1cc2c(cccc2C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)[nH]1 ZINC000367603146 183351513 /nfs/dbraw/zinc/35/15/13/183351513.db2.gz KMIMAWWNNDHYBW-ZSOGYDGISA-N 1 0 242.322 2.150 10 0 BEAERO CCCN1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054601437 169211481 /nfs/dbraw/zinc/21/14/81/169211481.db2.gz GFAFLIJMCUQQQT-YHWZYXNKSA-N 1 0 210.365 2.391 10 0 BEAERO c1cc(CSC[C@@H]2CCC[NH2+]2)ccn1 ZINC000095092756 183354619 /nfs/dbraw/zinc/35/46/19/183354619.db2.gz HKWXRKFGQOMFIR-NSHDSACASA-N 1 0 208.330 2.067 10 0 BEAERO CCCNC(=O)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000309486905 169216969 /nfs/dbraw/zinc/21/69/69/169216969.db2.gz VSWYFXALCUTNBW-NSHDSACASA-N 1 0 228.380 2.317 10 0 BEAERO c1cc2c(ccnc2C2CC[NH2+]CC2)[nH]1 ZINC000082382089 183364199 /nfs/dbraw/zinc/36/41/99/183364199.db2.gz AIGGEYKUXJSCGG-UHFFFAOYSA-N 1 0 201.273 2.030 10 0 BEAERO c1cc2c(c(C3CC[NH2+]CC3)c1)NCC2 ZINC000089210312 183365127 /nfs/dbraw/zinc/36/51/27/183365127.db2.gz FIFWMKJPWXGWJP-UHFFFAOYSA-N 1 0 202.301 2.122 10 0 BEAERO CCC[NH2+]C[C@@H](CC)N(C)CCc1ccccn1 ZINC000052423776 169262922 /nfs/dbraw/zinc/26/29/22/169262922.db2.gz WIYOHUCRQRFATC-OAHLLOKOSA-N 1 0 249.402 2.334 10 0 BEAERO CCC[NH2+]CC(C)(C)CN1C[C@@H](C)OC[C@@H]1C ZINC000051216957 169256213 /nfs/dbraw/zinc/25/62/13/169256213.db2.gz QUYLOIBJLLBINY-QWHCGFSZSA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1cscc1C ZINC000039110921 169257616 /nfs/dbraw/zinc/25/76/16/169257616.db2.gz ZALDJZWZYMWHKW-UHFFFAOYSA-N 1 0 226.345 2.385 10 0 BEAERO c1cc(N2CCC[NH2+]CCC2)cc2c1CCC2 ZINC000049663834 183369139 /nfs/dbraw/zinc/36/91/39/183369139.db2.gz MNMMDZSPHUEKDL-UHFFFAOYSA-N 1 0 230.355 2.365 10 0 BEAERO CCC[NH2+]CC[C@@H](C)N(C)Cc1cccnc1 ZINC000052479562 169260329 /nfs/dbraw/zinc/26/03/29/169260329.db2.gz JLKOUPKLMFRYMU-CYBMUJFWSA-N 1 0 235.375 2.292 10 0 BEAERO CCC[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000051869595 169260428 /nfs/dbraw/zinc/26/04/28/169260428.db2.gz MTMJPMIGEVFVJX-UHFFFAOYSA-N 1 0 248.248 2.479 10 0 BEAERO c1cc2c(cc1C[C@@H]1CCC[NH2+]C1)OCCCO2 ZINC000036171652 183369724 /nfs/dbraw/zinc/36/97/24/183369724.db2.gz KILQKSZCOFICQB-ZDUSSCGKSA-N 1 0 247.338 2.390 10 0 BEAERO c1cc2c(cc1NC1CC[NH2+]CC1)OCCCO2 ZINC000038040516 183369797 /nfs/dbraw/zinc/36/97/97/183369797.db2.gz FVTRSDUTIFIVHU-UHFFFAOYSA-N 1 0 248.326 2.012 10 0 BEAERO CCC[NH2+]CC[C@H](C)N(C)Cc1cccnc1 ZINC000052479563 169260979 /nfs/dbraw/zinc/26/09/79/169260979.db2.gz JLKOUPKLMFRYMU-ZDUSSCGKSA-N 1 0 235.375 2.292 10 0 BEAERO CCC[NH2+]CCc1nnc(-c2ccc(F)cc2)o1 ZINC000050620103 169261682 /nfs/dbraw/zinc/26/16/82/169261682.db2.gz PBZMBWJFMZVAGB-UHFFFAOYSA-N 1 0 249.289 2.418 10 0 BEAERO CCC[NH2+]C[C@@H](c1cccc(OC)c1)N(C)C ZINC000019903810 169262170 /nfs/dbraw/zinc/26/21/70/169262170.db2.gz CLDJVYLGOOAXJT-AWEZNQCLSA-N 1 0 236.359 2.298 10 0 BEAERO c1cc([C@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000082925865 183372294 /nfs/dbraw/zinc/37/22/94/183372294.db2.gz VEGMSZXDZFHVIL-GFCCVEGCSA-N 1 0 203.285 2.436 10 0 BEAERO c1cc2ccc(OC3CC[NH2+]CC3)cc2cn1 ZINC000040833578 183375773 /nfs/dbraw/zinc/37/57/73/183375773.db2.gz AFBRTRAWQSXGHM-UHFFFAOYSA-N 1 0 228.295 2.366 10 0 BEAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccc(C)cc1C ZINC000076634081 169243730 /nfs/dbraw/zinc/24/37/30/169243730.db2.gz RDCZDMNJLJSCHB-AWEZNQCLSA-N 1 0 248.370 2.262 10 0 BEAERO c1nc(-c2ccccc2)[nH]c1C[NH2+]C1CC1 ZINC000062821384 183381792 /nfs/dbraw/zinc/38/17/92/183381792.db2.gz RHYOXCHUKFFRQK-UHFFFAOYSA-N 1 0 213.284 2.329 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000042579112 169247383 /nfs/dbraw/zinc/24/73/83/169247383.db2.gz LNKCTHMYKQYAMS-RWMBFGLXSA-N 1 0 240.391 2.460 10 0 BEAERO c1cc(SC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000087110532 183360403 /nfs/dbraw/zinc/36/04/03/183360403.db2.gz ZYOPIAHCLJUVCO-JTQLQIEISA-N 1 0 208.330 2.316 10 0 BEAERO CCC[NH2+][C@H](C)CN(CC1CC1)C(C)C ZINC000043975146 169285700 /nfs/dbraw/zinc/28/57/00/169285700.db2.gz XWCPGKBVKMOHOP-GFCCVEGCSA-N 1 0 212.381 2.495 10 0 BEAERO CCC[NH2+][C@H](C)Cc1cn2ccsc2n1 ZINC000076788177 169285791 /nfs/dbraw/zinc/28/57/91/169285791.db2.gz MMYVHGZVZYXONL-SECBINFHSA-N 1 0 223.345 2.326 10 0 BEAERO CCC[NH2+][C@H](C)CN1CCC(C)(C)CC1 ZINC000061819877 169286002 /nfs/dbraw/zinc/28/60/02/169286002.db2.gz APBOCWMLUICQTQ-GFCCVEGCSA-N 1 0 212.381 2.497 10 0 BEAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1[C@@H]1CCOC1 ZINC000112174105 169287235 /nfs/dbraw/zinc/28/72/35/169287235.db2.gz LTMKKNQXXACDKL-MGPQQGTHSA-N 1 0 240.391 2.018 10 0 BEAERO c1c[n+]2ccccc2n1Cc1ccccc1 ZINC000005482949 183411980 /nfs/dbraw/zinc/41/19/80/183411980.db2.gz RWDIXNIIUVBORZ-UHFFFAOYSA-N 1 0 209.272 2.275 10 0 BEAERO CCC[NH2+]C[C@H](C(C)C)N1CCC(OC)CC1 ZINC000052455048 169263698 /nfs/dbraw/zinc/26/36/98/169263698.db2.gz RURCCXCUTAWZOY-CQSZACIVSA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000033466171 169263702 /nfs/dbraw/zinc/26/37/02/169263702.db2.gz JOJQINKLHKWJIG-ZDUSSCGKSA-N 1 0 237.343 2.043 10 0 BEAERO CCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000032101444 169263777 /nfs/dbraw/zinc/26/37/77/169263777.db2.gz HAVDJHWYZOCAQN-JTQLQIEISA-N 1 0 243.734 2.079 10 0 BEAERO CCC[NH2+]C[C@H]1CCCCN1CC(C)C ZINC000053651183 169264642 /nfs/dbraw/zinc/26/46/42/169264642.db2.gz HPSYNWKNUIZUGZ-CYBMUJFWSA-N 1 0 212.381 2.497 10 0 BEAERO c1ccc(CCC[NH2+]Cc2cncnc2)cc1 ZINC000054767042 183391635 /nfs/dbraw/zinc/39/16/35/183391635.db2.gz ONNNANWIFYBYHU-UHFFFAOYSA-N 1 0 227.311 2.199 10 0 BEAERO CCC[NH2+]C[C@H](O)c1cc(C)c(OC)cc1C ZINC000049828923 169264753 /nfs/dbraw/zinc/26/47/53/169264753.db2.gz ABWJQXUCSZIOGU-ZDUSSCGKSA-N 1 0 237.343 2.345 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000032012872 169264774 /nfs/dbraw/zinc/26/47/74/169264774.db2.gz FVXWOUUAKPEOEX-NSHDSACASA-N 1 0 213.708 2.373 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccccc1OCC ZINC000032014531 169264882 /nfs/dbraw/zinc/26/48/82/169264882.db2.gz SRQFGOPLISZXQM-LBPRGKRZSA-N 1 0 223.316 2.118 10 0 BEAERO CCC[NH2+]Cc1ccc(N2CCC[C@H]2CC)nn1 ZINC000051398717 169266371 /nfs/dbraw/zinc/26/63/71/169266371.db2.gz OXMDPQSAWOPGCX-CYBMUJFWSA-N 1 0 248.374 2.355 10 0 BEAERO CCC[NH2+]Cc1ccc(OC)c(NC(C)=O)c1 ZINC000096890563 169266541 /nfs/dbraw/zinc/26/65/41/169266541.db2.gz NHLZXJGROLYJKW-UHFFFAOYSA-N 1 0 236.315 2.153 10 0 BEAERO CCC[NH2+]Cc1ccnc(-c2cccc(C)n2)n1 ZINC000104160084 169267553 /nfs/dbraw/zinc/26/75/53/169267553.db2.gz OHHKNCFWCIMQTL-UHFFFAOYSA-N 1 0 242.326 2.347 10 0 BEAERO c1nc2c([nH]1)[C@H](CCc1ccccc1)[NH2+]CC2 ZINC000065406394 183395412 /nfs/dbraw/zinc/39/54/12/183395412.db2.gz PQJZTJQBRRCCRW-LBPRGKRZSA-N 1 0 227.311 2.229 10 0 BEAERO CCC[NH2+]Cc1sc(CCOC)nc1CC ZINC000082422638 169269012 /nfs/dbraw/zinc/26/90/12/169269012.db2.gz IDCXUXBWJPHQSF-UHFFFAOYSA-N 1 0 242.388 2.394 10 0 BEAERO CCC[NH2+]Cc1nc(C)c(C(C)=O)s1 ZINC000049815189 169269374 /nfs/dbraw/zinc/26/93/74/169269374.db2.gz MUJAQPIOANRIRA-UHFFFAOYSA-N 1 0 212.318 2.154 10 0 BEAERO c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037916504 183398981 /nfs/dbraw/zinc/39/89/81/183398981.db2.gz BSRRVURNVFKAFJ-HIFRSBDPSA-N 1 0 245.370 2.046 10 0 BEAERO CCC[NH2+][C@@H](C)CN1CCC(C)(C)CC1 ZINC000061819876 169275082 /nfs/dbraw/zinc/27/50/82/169275082.db2.gz APBOCWMLUICQTQ-LBPRGKRZSA-N 1 0 212.381 2.497 10 0 BEAERO CCC[NH2+][C@@H]1CCC[C@H]1OC[C@@H]1CCCCO1 ZINC000044065684 169281974 /nfs/dbraw/zinc/28/19/74/169281974.db2.gz YYKXGECYCYMDTK-BFHYXJOUSA-N 1 0 241.375 2.493 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@H](C)C(CC)CC)C1=O ZINC000070976970 169283142 /nfs/dbraw/zinc/28/31/42/169283142.db2.gz BMPGZGQTNLVVLJ-DGCLKSJQSA-N 1 0 240.391 2.412 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2cccnc2)[C@H](C)C1 ZINC000049712461 169283159 /nfs/dbraw/zinc/28/31/59/169283159.db2.gz WUHQVKCKXUZMFB-UKRRQHHQSA-N 1 0 247.386 2.434 10 0 BEAERO CCCOC[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000037025177 169309507 /nfs/dbraw/zinc/30/95/07/169309507.db2.gz AVXQBPCIHICKSJ-LBPRGKRZSA-N 1 0 239.315 2.130 10 0 BEAERO CCCO[C@@H]1CCC[N@H+](CCC(C)=O)CC1 ZINC000108398505 169310778 /nfs/dbraw/zinc/31/07/78/169310778.db2.gz HVPMFSHJPVOJAZ-CYBMUJFWSA-N 1 0 227.348 2.247 10 0 BEAERO CCCO[C@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000037024947 169312892 /nfs/dbraw/zinc/31/28/92/169312892.db2.gz JZNIIDPUPMUCPZ-QWHCGFSZSA-N 1 0 205.301 2.428 10 0 BEAERO CCCO[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000037024943 169313255 /nfs/dbraw/zinc/31/32/55/169313255.db2.gz JZNIIDPUPMUCPZ-STQMWFEESA-N 1 0 205.301 2.428 10 0 BEAERO CCC[NH2+][C@H]1CCCc2nc(N)sc21 ZINC000050330341 169291463 /nfs/dbraw/zinc/29/14/63/169291463.db2.gz VPSZYVYCPNCWFF-ZETCQYMHSA-N 1 0 211.334 2.102 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2ccco2)C[C@@H]1C ZINC000049708499 169291541 /nfs/dbraw/zinc/29/15/41/169291541.db2.gz USRJVVGMPIKJAQ-JSGCOSHPSA-N 1 0 236.359 2.490 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccccc2C)C1=O ZINC000049647944 169291748 /nfs/dbraw/zinc/29/17/48/169291748.db2.gz SUVYRZFTRPQQEZ-LBPRGKRZSA-N 1 0 232.327 2.100 10 0 BEAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC000037635835 169291960 /nfs/dbraw/zinc/29/19/60/169291960.db2.gz PJPXTNDFAAQYGL-STQMWFEESA-N 1 0 233.359 2.217 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccc(C)cc2C)C1=O ZINC000049647792 169292152 /nfs/dbraw/zinc/29/21/52/169292152.db2.gz OCNQIJHNAVFKEL-ZDUSSCGKSA-N 1 0 246.354 2.408 10 0 BEAERO CCC[NH2+][C@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974193 169292417 /nfs/dbraw/zinc/29/24/17/169292417.db2.gz MCFCTBBRHDFZAV-ZBEGNZNMSA-N 1 0 241.331 2.378 10 0 BEAERO CCC[NH2+][C@H]1COc2ccc(OC)cc21 ZINC000035652803 169292778 /nfs/dbraw/zinc/29/27/78/169292778.db2.gz RFNSXACMTXWQIQ-NSHDSACASA-N 1 0 207.273 2.128 10 0 BEAERO CCC[C@@H](C(=O)NCC1(C2CC2)CC1)[NH+](C)C ZINC000120512596 169343532 /nfs/dbraw/zinc/34/35/32/169343532.db2.gz NRHSJWIBBVNREV-LBPRGKRZSA-N 1 0 238.375 2.023 10 0 BEAERO c1ccc2nc(S[C@H]3CC[NH2+]C3)cnc2c1 ZINC000095092775 183459715 /nfs/dbraw/zinc/45/97/15/183459715.db2.gz CXCNEVZVDJEWTR-VIFPVBQESA-N 1 0 231.324 2.084 10 0 BEAERO c1ccn2c(c1)nnc2[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000034689315 183464592 /nfs/dbraw/zinc/46/45/92/183464592.db2.gz PTGANZXZLQJNQD-WOPDTQHZSA-N 1 0 242.326 2.323 10 0 BEAERO CCCOc1ccc([C@@H](O)C[NH2+]C2CC2)cc1 ZINC000033465503 169321558 /nfs/dbraw/zinc/32/15/58/169321558.db2.gz IZLDQTDCCMAHKE-AWEZNQCLSA-N 1 0 235.327 2.261 10 0 BEAERO CCCOc1ccc([C@@H](O)[C@@H](C)[NH2+]C)cc1 ZINC000071531039 169321845 /nfs/dbraw/zinc/32/18/45/169321845.db2.gz MYLWWGMKOXDOQI-MFKMUULPSA-N 1 0 223.316 2.117 10 0 BEAERO c1ccc2sc(O[C@@H]3CC[NH2+]C3)nc2c1 ZINC000051868416 183461923 /nfs/dbraw/zinc/46/19/23/183461923.db2.gz PHFCNQRCHFEDLO-MRVPVSSYSA-N 1 0 220.297 2.037 10 0 BEAERO CCCOc1ccc([C@H](O)[C@H](C)[NH2+]C)cc1 ZINC000071531040 169322453 /nfs/dbraw/zinc/32/24/53/169322453.db2.gz MYLWWGMKOXDOQI-GXFFZTMASA-N 1 0 223.316 2.117 10 0 BEAERO CCCOc1ccc([C@](C)(O)C[NH2+]CC)cc1 ZINC000033466249 169322698 /nfs/dbraw/zinc/32/26/98/169322698.db2.gz YEDSPFOXKXWXLQ-CQSZACIVSA-N 1 0 237.343 2.292 10 0 BEAERO CCCOc1cccc([C@H](O)C[NH2+]CC)c1 ZINC000032014626 169325704 /nfs/dbraw/zinc/32/57/04/169325704.db2.gz ZCQJGFJGRBFEAX-CYBMUJFWSA-N 1 0 223.316 2.118 10 0 BEAERO CCCOc1cccc2c1OCC[C@@H]2[NH3+] ZINC000036928689 169326938 /nfs/dbraw/zinc/32/69/38/169326938.db2.gz DMSLUEZJEVGGLD-JTQLQIEISA-N 1 0 207.273 2.258 10 0 BEAERO c1ccc2c(c1)CN(C[C@@H]1CC[NH2+]C1)N=N2 ZINC000095080684 183447255 /nfs/dbraw/zinc/44/72/55/183447255.db2.gz QZPMBZJJWISOAL-SNVBAGLBSA-N 1 0 216.288 2.110 10 0 BEAERO c1ccc2c(c1)OCC[C@H]2[C@H]1CCC[NH2+]1 ZINC000082556931 183451813 /nfs/dbraw/zinc/45/18/13/183451813.db2.gz KUXRXHCUFYNCTC-ZYHUDNBSSA-N 1 0 203.285 2.305 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCN(C)C(C)C ZINC000054111022 169359346 /nfs/dbraw/zinc/35/93/46/169359346.db2.gz IXCWHPWUEKUXBA-GFCCVEGCSA-N 1 0 200.370 2.352 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336736892 169360980 /nfs/dbraw/zinc/36/09/80/169360980.db2.gz NCDIVJMVRXVUAT-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CCC[C@@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC000034938773 169371807 /nfs/dbraw/zinc/37/18/07/169371807.db2.gz NGBDHGHOWVPXQG-HBNTYKKESA-N 1 0 214.353 2.068 10 0 BEAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000036949905 169373328 /nfs/dbraw/zinc/37/33/28/169373328.db2.gz QWKQWJRMYHUUEN-OTYXRUKQSA-N 1 0 248.326 2.454 10 0 BEAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccccc1 ZINC000076610077 169382043 /nfs/dbraw/zinc/38/20/43/169382043.db2.gz WBYPWHDOLWDFTL-NSHDSACASA-N 1 0 220.316 2.390 10 0 BEAERO CCC[C@@H](C[NH3+])N1CCc2sccc2C1 ZINC000022215145 169383587 /nfs/dbraw/zinc/38/35/87/169383587.db2.gz VQFOJASMHXXCER-NSHDSACASA-N 1 0 224.373 2.234 10 0 BEAERO CCC[C@@H](C[NH3+])CC(=O)N(C)c1ccccc1 ZINC000076616701 169383769 /nfs/dbraw/zinc/38/37/69/169383769.db2.gz ZSAMOOWWYWIIAD-GFCCVEGCSA-N 1 0 234.343 2.415 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)C1CCCC1 ZINC000236937776 169389580 /nfs/dbraw/zinc/38/95/80/169389580.db2.gz CLBBJFIKKGUDQZ-GFCCVEGCSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)(C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000002034676 166634206 /nfs/dbraw/zinc/63/42/06/166634206.db2.gz YKXCHWSPIFUXMT-NSHDSACASA-N 1 0 211.280 2.247 10 0 BEAERO CCC[C@@H]([NH3+])c1nncn1-c1ccccc1 ZINC000054526719 169394381 /nfs/dbraw/zinc/39/43/81/169394381.db2.gz RPPLSAYRISYXBY-LLVKDONJSA-N 1 0 216.288 2.067 10 0 BEAERO CCC[C@@H]([NH3+])c1noc(-c2occc2C)n1 ZINC000041052514 169394992 /nfs/dbraw/zinc/39/49/92/169394992.db2.gz JCHDJZRVCFNLFT-MRVPVSSYSA-N 1 0 221.260 2.438 10 0 BEAERO CC[C@H]([NH3+])CNc1ncnc2c(C)csc21 ZINC000222337368 134328843 /nfs/dbraw/zinc/32/88/43/134328843.db2.gz OZEVLWUHWIHTLF-QMMMGPOBSA-N 1 0 236.344 2.149 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[S@@](C)=O ZINC000336733598 169419199 /nfs/dbraw/zinc/41/91/99/169419199.db2.gz MMYBEGFGUWJKBU-MCYUEQNJSA-N 1 0 231.405 2.312 10 0 BEAERO c1ncc(N2CCCC2)cc1[C@H]1CCCC[NH2+]1 ZINC000097758307 183546369 /nfs/dbraw/zinc/54/63/69/183546369.db2.gz TWULGEZDDMDNIQ-CQSZACIVSA-N 1 0 231.343 2.496 10 0 BEAERO CCC[C@@](C)(O)C[NH2+]Cc1cccn1CC ZINC000230688676 169458169 /nfs/dbraw/zinc/45/81/69/169458169.db2.gz OQBBIIWIJXSBBT-CYBMUJFWSA-N 1 0 224.348 2.149 10 0 BEAERO CCC[C@H](C)C(=O)N(CCC)[C@@H]1CCC[NH2+]C1 ZINC000037541536 169469559 /nfs/dbraw/zinc/46/95/59/169469559.db2.gz ZXTYCHNJESWMHT-QWHCGFSZSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@H](CC)NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000104118860 169496488 /nfs/dbraw/zinc/49/64/88/169496488.db2.gz QHMDSWHKTVGOGZ-AWEZNQCLSA-N 1 0 248.370 2.383 10 0 BEAERO CCC[C@H](C[NH3+])CCC(=O)N1CCC(C)CC1 ZINC000076622579 169498611 /nfs/dbraw/zinc/49/86/11/169498611.db2.gz LOILFAXSUROUDF-ZDUSSCGKSA-N 1 0 240.391 2.400 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCC(C)(C)C1CCCC1 ZINC000236844848 169501320 /nfs/dbraw/zinc/50/13/20/169501320.db2.gz CLBBJFIKKGUDQZ-LBPRGKRZSA-N 1 0 240.391 2.446 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CCSC1 ZINC000224427527 134347257 /nfs/dbraw/zinc/34/72/57/134347257.db2.gz UDDHEENFTIDDPP-PWSUYJOCSA-N 1 0 235.352 2.463 10 0 BEAERO CCC[C@](C)(O)C[NH2+][C@@H]1CCCSC1 ZINC000128267827 169554176 /nfs/dbraw/zinc/55/41/76/169554176.db2.gz WSIOAIUNDJKXTL-MNOVXSKESA-N 1 0 217.378 2.023 10 0 BEAERO CCC[C@]1(C(=O)NCc2ccccc2)CC[NH2+]C1 ZINC000062887816 169555435 /nfs/dbraw/zinc/55/54/35/169555435.db2.gz YOHCSTYRVALJIU-HNNXBMFYSA-N 1 0 246.354 2.083 10 0 BEAERO CCCc1noc([C@H](C[NH3+])c2ccccc2)n1 ZINC000061609402 169605423 /nfs/dbraw/zinc/60/54/23/169605423.db2.gz XHSXYEQLWVDQLU-LLVKDONJSA-N 1 0 231.299 2.113 10 0 BEAERO CCCn1c2cccc(F)c2nc1CC[NH3+] ZINC000037442705 169613491 /nfs/dbraw/zinc/61/34/91/169613491.db2.gz DXHHAIAPNTVTMY-UHFFFAOYSA-N 1 0 221.279 2.087 10 0 BEAERO CCN(C(=O)OC(C)(C)C)[C@H]1CC[NH2+]C[C@@H]1C ZINC000073655347 169647431 /nfs/dbraw/zinc/64/74/31/169647431.db2.gz ZNOWOTXUHYPBBM-QWRGUYRKSA-N 1 0 242.363 2.241 10 0 BEAERO CCN(C(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(C)cc1 ZINC000062903116 169651627 /nfs/dbraw/zinc/65/16/27/169651627.db2.gz BIDPXDWDIWANQL-HNNXBMFYSA-N 1 0 246.354 2.348 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCSC2)o1 ZINC000226402952 134365685 /nfs/dbraw/zinc/36/56/85/134365685.db2.gz UBQAAFKOXHYLQF-NXEZZACHSA-N 1 0 226.345 2.387 10 0 BEAERO Nc1ccc(N(C2CC2)[C@@H]2CCSC2)nc1 ZINC000409434837 383839217 /nfs/dbraw/zinc/83/92/17/383839217.db2.gz QWMZRFGEGFFYLT-LLVKDONJSA-N 1 0 235.356 2.138 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCOC1)c1c(C)noc1C ZINC000131560092 383832729 /nfs/dbraw/zinc/83/27/29/383832729.db2.gz LSMILFBMAWTRQK-WDEREUQCSA-N 1 0 224.304 2.121 10 0 BEAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccs1 ZINC000035138568 383834751 /nfs/dbraw/zinc/83/47/51/383834751.db2.gz FLDHKDGTHZIQTJ-SECBINFHSA-N 1 0 240.372 2.313 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CC3=CCCC3)C[C@@H]2C1 ZINC000401132550 383980917 /nfs/dbraw/zinc/98/09/17/383980917.db2.gz XJRKDTBYOXWHEN-MELADBBJSA-N 1 0 221.344 2.190 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1cccs1 ZINC000037690169 383995017 /nfs/dbraw/zinc/99/50/17/383995017.db2.gz AWTATXOAVKZSNI-AEJSXWLSSA-N 1 0 211.330 2.312 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](C)N1Cc1ccccc1 ZINC000068593075 384003093 /nfs/dbraw/zinc/00/30/93/384003093.db2.gz ULXWOSFIBHNQLH-MBNYWOFBSA-N 1 0 218.344 2.387 10 0 BEAERO COCc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089161640 383938741 /nfs/dbraw/zinc/93/87/41/383938741.db2.gz HCLBDHWUVZSSSY-HUUCEWRRSA-N 1 0 249.354 2.084 10 0 BEAERO CN(C)CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037184148 383954593 /nfs/dbraw/zinc/95/45/93/383954593.db2.gz MHIQEMLFWOHRHG-AWEZNQCLSA-N 1 0 236.334 2.428 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C)c(C)c1 ZINC000037225374 383962032 /nfs/dbraw/zinc/96/20/32/383962032.db2.gz RVMBWIIARWGWDG-GFCCVEGCSA-N 1 0 234.343 2.042 10 0 BEAERO CO[C@H](C[N@@H+]1CCC[C@@H](O)[C@@H]1C)c1ccccc1 ZINC000296313988 384046394 /nfs/dbraw/zinc/04/63/94/384046394.db2.gz PXAWWJKHSWNMEW-NWANDNLSSA-N 1 0 249.354 2.219 10 0 BEAERO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000090981419 384086213 /nfs/dbraw/zinc/08/62/13/384086213.db2.gz LTZBZLFFGSKCOU-YPMHNXCESA-N 1 0 247.338 2.067 10 0 BEAERO C[NH2+][C@@H]1COc2c1cc(Br)cc2F ZINC000035653899 384088988 /nfs/dbraw/zinc/08/89/88/384088988.db2.gz JXZWJGLZYIVOOM-MRVPVSSYSA-N 1 0 246.079 2.241 10 0 BEAERO C[NH2+][C@H]1COc2c1cc(C)cc2Br ZINC000035653836 384089458 /nfs/dbraw/zinc/08/94/58/384089458.db2.gz NZVLETDDXHNJKP-VIFPVBQESA-N 1 0 242.116 2.410 10 0 BEAERO C[NH2+][C@H](c1cnsn1)C1CCCCC1 ZINC000135145886 384068978 /nfs/dbraw/zinc/06/89/78/384068978.db2.gz PJHRKTRRBVIEJD-JTQLQIEISA-N 1 0 211.334 2.379 10 0 BEAERO CCN(CCO)c1ccc([N+]#N)cc1C ZINC000038652013 384092216 /nfs/dbraw/zinc/09/22/16/384092216.db2.gz RSECNVZXKOUFNM-UHFFFAOYSA-N 1 0 206.269 2.298 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1nncs1 ZINC000035724573 384097164 /nfs/dbraw/zinc/09/71/64/384097164.db2.gz MAMFWZXVMKJOOA-JGVFFNPUSA-N 1 0 229.374 2.148 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1nncs1 ZINC000035724569 384097608 /nfs/dbraw/zinc/09/76/08/384097608.db2.gz MAMFWZXVMKJOOA-HTQZYQBOSA-N 1 0 229.374 2.148 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CO[C@H](C)C1 ZINC000401839833 384099556 /nfs/dbraw/zinc/09/95/56/384099556.db2.gz QPTGXCRSJJBSOK-UMVBOHGHSA-N 1 0 249.354 2.359 10 0 BEAERO CCC1(CC)N=C(C)C(C[NH+](C)C)=C(C)N1 ZINC000039102431 384103437 /nfs/dbraw/zinc/10/34/37/384103437.db2.gz CCOAHWMUXIJDEX-UHFFFAOYSA-N 1 0 223.364 2.402 10 0 BEAERO [NH3+][C@@H]1C[C@@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000072415359 384103677 /nfs/dbraw/zinc/10/36/77/384103677.db2.gz YXDFUYXDGFMFOH-BXKDBHETSA-N 1 0 231.274 2.279 10 0 BEAERO Cn1ncc2c1C[C@H](c1cccs1)C[C@@H]2[NH3+] ZINC000072415891 384108364 /nfs/dbraw/zinc/10/83/64/384108364.db2.gz XUSOXJVQYRKCEK-SCZZXKLOSA-N 1 0 233.340 2.211 10 0 BEAERO Cn1ncc2c1C[C@@H](c1ccccc1)C[C@@H]2[NH3+] ZINC000072415871 384108877 /nfs/dbraw/zinc/10/88/77/384108877.db2.gz COLBHMINQPMZHA-AAEUAGOBSA-N 1 0 227.311 2.150 10 0 BEAERO C[NH+](C)CCC(=O)c1nc2ccccc2s1 ZINC000072416264 384113048 /nfs/dbraw/zinc/11/30/48/384113048.db2.gz XBHGKIDPIDHLRP-UHFFFAOYSA-N 1 0 234.324 2.431 10 0 BEAERO c1ccc2c(c1)NC[C@@H]2C1CC[NH2+]CC1 ZINC000091301991 384116110 /nfs/dbraw/zinc/11/61/10/384116110.db2.gz DBFAOEHZZLGRFD-GFCCVEGCSA-N 1 0 202.301 2.195 10 0 BEAERO CCO[C@H](c1cccc(F)c1)C1=[NH+]CCCN1 ZINC000005861354 384137170 /nfs/dbraw/zinc/13/71/70/384137170.db2.gz VPFUOBXRNMBNCX-GFCCVEGCSA-N 1 0 236.290 2.295 10 0 BEAERO CC(C)Oc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091524095 384131530 /nfs/dbraw/zinc/13/15/30/384131530.db2.gz WOSZMICSAQFPJN-UHFFFAOYSA-N 1 0 249.354 2.334 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2=O)cc1C ZINC000116390564 384133119 /nfs/dbraw/zinc/13/31/19/384133119.db2.gz WXQGRMQGPPSJJK-GXTWGEPZSA-N 1 0 246.354 2.185 10 0 BEAERO COc1cc(N[C@@H](C)[C@@H]2CC[NH2+]C2)ccc1F ZINC000400509299 533037160 /nfs/dbraw/zinc/03/71/60/533037160.db2.gz KZMJGXDQJTXRDP-VHSXEESVSA-N 1 0 238.306 2.244 10 0 BEAERO Cc1cc(C)c(O[C@@H](C)C2=[NH+]CCN2)c(C)c1 ZINC000027707713 384164881 /nfs/dbraw/zinc/16/48/81/384164881.db2.gz ROBYBMQOIPJUIR-LBPRGKRZSA-N 1 0 232.327 2.381 10 0 BEAERO Fc1ccc([C@H]2CC[NH2+]C2)c(F)c1F ZINC000071508139 384168516 /nfs/dbraw/zinc/16/85/16/384168516.db2.gz YOONGFUTEYSCND-LURJTMIESA-N 1 0 201.191 2.181 10 0 BEAERO CC[C@H]([NH2+]C1CC(C)C1)c1nccn1C ZINC000132294500 384184668 /nfs/dbraw/zinc/18/46/68/384184668.db2.gz OJYNPHMYJYBDET-ILDUYXDCSA-N 1 0 207.321 2.259 10 0 BEAERO CO[C@H](C[NH3+])c1ccccc1Br ZINC000043094024 384181715 /nfs/dbraw/zinc/18/17/15/384181715.db2.gz VOIPGILBMJYRJP-SECBINFHSA-N 1 0 230.105 2.095 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282316767 384233410 /nfs/dbraw/zinc/23/34/10/384233410.db2.gz KUJBVCHMJLBQOV-JSGCOSHPSA-N 1 0 246.354 2.060 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccsc1 ZINC000282284918 384211267 /nfs/dbraw/zinc/21/12/67/384211267.db2.gz LHEHZHRJYLFHIC-ATZCPNFKSA-N 1 0 238.356 2.066 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccsc1 ZINC000282284931 384211479 /nfs/dbraw/zinc/21/14/79/384211479.db2.gz LHEHZHRJYLFHIC-QXEWZRGKSA-N 1 0 238.356 2.066 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCCC1 ZINC000043114967 384251793 /nfs/dbraw/zinc/25/17/93/384251793.db2.gz MKAZJKMXJKZHBH-KOLCDFICSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)cn1 ZINC000385089102 384258970 /nfs/dbraw/zinc/25/89/70/384258970.db2.gz JKWYQPVJOHCFNM-IONNQARKSA-N 1 0 245.248 2.026 10 0 BEAERO CCCC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000082725343 384259617 /nfs/dbraw/zinc/25/96/17/384259617.db2.gz AGEKQSOBLQJZEL-QWHCGFSZSA-N 1 0 210.365 2.345 10 0 BEAERO CC(C)n1ccnc1C[S@@](=O)CC1CC1 ZINC000133727056 384311724 /nfs/dbraw/zinc/31/17/24/384311724.db2.gz NQNYGCBTPFGOQB-OAHLLOKOSA-N 1 0 226.345 2.123 10 0 BEAERO Cc1cnn(C)c1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000352736753 384317036 /nfs/dbraw/zinc/31/70/36/384317036.db2.gz MUXJTZIHVANLQF-SNVBAGLBSA-N 1 0 248.305 2.113 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000314715971 384280853 /nfs/dbraw/zinc/28/08/53/384280853.db2.gz NCZPNKKWUZIMAB-CHWSQXEVSA-N 1 0 221.348 2.131 10 0 BEAERO CCC[C@H](C(=O)NCCC1CCCC1)[NH+](C)C ZINC000179438545 384292284 /nfs/dbraw/zinc/29/22/84/384292284.db2.gz HABHSICOCPOYDF-CYBMUJFWSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1nc(C)c(C[N@H+]2CCC[C@H](O)[C@H]2C)s1 ZINC000295084348 384292375 /nfs/dbraw/zinc/29/23/75/384292375.db2.gz SIUGXTIDGLVHGR-KOLCDFICSA-N 1 0 240.372 2.105 10 0 BEAERO CCC[C@@H](C(=O)NCCC1CCCC1)[NH+](C)C ZINC000179438539 384292492 /nfs/dbraw/zinc/29/24/92/384292492.db2.gz HABHSICOCPOYDF-ZDUSSCGKSA-N 1 0 240.391 2.413 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cccs1 ZINC000282498945 384297691 /nfs/dbraw/zinc/29/76/91/384297691.db2.gz YADXDOIWVNXOSI-GUBZILKMSA-N 1 0 238.356 2.066 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cccs1 ZINC000282498946 384298390 /nfs/dbraw/zinc/29/83/90/384298390.db2.gz YADXDOIWVNXOSI-KXUCPTDWSA-N 1 0 238.356 2.066 10 0 BEAERO Clc1ncc(COC[C@H]2CCC[NH2+]2)s1 ZINC000095070216 384336633 /nfs/dbraw/zinc/33/66/33/384336633.db2.gz VNJJRBGOQPJORN-SSDOTTSWSA-N 1 0 232.736 2.065 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(Cl)cc2F)C1 ZINC000335581059 384343370 /nfs/dbraw/zinc/34/33/70/384343370.db2.gz MKPUFEJPJIALSB-CBAPKCEASA-N 1 0 243.713 2.413 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncc(Cl)cc2F)C1 ZINC000335581061 384343791 /nfs/dbraw/zinc/34/37/91/384343791.db2.gz MKPUFEJPJIALSB-VXNVDRBHSA-N 1 0 243.713 2.413 10 0 BEAERO COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]1C ZINC000120483026 384356065 /nfs/dbraw/zinc/35/60/65/384356065.db2.gz KHMNRXIROOCSOZ-XBFCOCLRSA-N 1 0 219.328 2.242 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000300358046 384357483 /nfs/dbraw/zinc/35/74/83/384357483.db2.gz BAOUMAKRZSBJQF-RNJOBUHISA-N 1 0 210.365 2.247 10 0 BEAERO CC(C)=CCN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000300372236 384360790 /nfs/dbraw/zinc/36/07/90/384360790.db2.gz SJRLHFNOBLMKPN-ZDUSSCGKSA-N 1 0 208.349 2.123 10 0 BEAERO CC(C)(C)OC(=O)N1CCc2cccc(C[NH3+])c21 ZINC000076188329 384362401 /nfs/dbraw/zinc/36/24/01/384362401.db2.gz YQAKBUMNCPAWNH-UHFFFAOYSA-N 1 0 248.326 2.443 10 0 BEAERO c1ccc2c(c1)snc2OC[C@@H]1CC[NH2+]C1 ZINC000095092689 384363077 /nfs/dbraw/zinc/36/30/77/384363077.db2.gz YIRXAHHMUSWDHK-SECBINFHSA-N 1 0 234.324 2.285 10 0 BEAERO c1cncc(COCCC[C@H]2CCC[NH2+]C2)c1 ZINC000095092575 384363948 /nfs/dbraw/zinc/36/39/48/384363948.db2.gz WEXZZDBHZVJFHM-CYBMUJFWSA-N 1 0 234.343 2.378 10 0 BEAERO CC(=O)CCN1CCc2ccc(F)cc2C1 ZINC000133985256 384326148 /nfs/dbraw/zinc/32/61/48/384326148.db2.gz YCCBNGPAUAXEKL-UHFFFAOYSA-N 1 0 221.275 2.163 10 0 BEAERO C[C@@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000095068325 384331162 /nfs/dbraw/zinc/33/11/62/384331162.db2.gz QFBAZHKNXKPXAC-KXUCPTDWSA-N 1 0 225.361 2.064 10 0 BEAERO Cc1cc(C)nc(OCCCC2CC[NH2+]CC2)n1 ZINC000095068903 384333074 /nfs/dbraw/zinc/33/30/74/384333074.db2.gz ARTAUXQEJSKGQN-UHFFFAOYSA-N 1 0 249.358 2.252 10 0 BEAERO Cc1c(C[NH2+]C[C@@H](C)CC(F)F)cnn1C ZINC000647226443 384395568 /nfs/dbraw/zinc/39/55/68/384395568.db2.gz GXURXABTHZGZPL-QMMMGPOBSA-N 1 0 231.290 2.109 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1cccs1 ZINC000084447305 384397861 /nfs/dbraw/zinc/39/78/61/384397861.db2.gz AYXJUEPVWFSGDV-IDKOKCKLSA-N 1 0 211.330 2.170 10 0 BEAERO CCOc1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000077393447 384405663 /nfs/dbraw/zinc/40/56/63/384405663.db2.gz GSQJUYLOTPJFLZ-UHFFFAOYSA-N 1 0 243.310 2.121 10 0 BEAERO O=C1OCC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000095937752 384417512 /nfs/dbraw/zinc/41/75/12/384417512.db2.gz VFWDEMGXCRXMJU-HNNXBMFYSA-N 1 0 245.322 2.216 10 0 BEAERO [NH3+][C@H]1CCOC[C@@H]1Cc1c(F)cccc1Cl ZINC000076688010 384382191 /nfs/dbraw/zinc/38/21/91/384382191.db2.gz OUNREVSFGGIAJG-UFBFGSQYSA-N 1 0 243.709 2.385 10 0 BEAERO C[C@@H]1CCCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000648168825 384448900 /nfs/dbraw/zinc/44/89/00/384448900.db2.gz YDRZMPPYLLZMOR-AGIUHOORSA-N 1 0 238.375 2.010 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCCSC ZINC000175356469 384428228 /nfs/dbraw/zinc/42/82/28/384428228.db2.gz FOZRNTIMAKWIGW-LBPRGKRZSA-N 1 0 230.421 2.156 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000135296570 384432115 /nfs/dbraw/zinc/43/21/15/384432115.db2.gz NYPGCBXIOMBYGQ-WCFLWFBJSA-N 1 0 233.311 2.277 10 0 BEAERO CC1(C)CC([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000309148897 384432800 /nfs/dbraw/zinc/43/28/00/384432800.db2.gz VXKLPULCMFSBOA-CMPLNLGQSA-N 1 0 211.349 2.316 10 0 BEAERO CC1(C)CC([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000309148899 384432838 /nfs/dbraw/zinc/43/28/38/384432838.db2.gz VXKLPULCMFSBOA-PWSUYJOCSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc2c(c1)CCO2 ZINC000135311182 384434453 /nfs/dbraw/zinc/43/44/53/384434453.db2.gz GFYXLULFPXGNAZ-MJVIPROJSA-N 1 0 247.338 2.450 10 0 BEAERO c1cn2c(n1)[C@H](C[NH2+]C1CCCC1)CCC2 ZINC000309542378 384477179 /nfs/dbraw/zinc/47/71/79/384477179.db2.gz GSMIZCIPRNVGCP-NSHDSACASA-N 1 0 219.332 2.293 10 0 BEAERO CSCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453178 384485866 /nfs/dbraw/zinc/48/58/66/384485866.db2.gz TVTVRNNHLJHBHY-UHFFFAOYSA-N 1 0 238.356 2.050 10 0 BEAERO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)OCc1ccccc1 ZINC000079590302 384505708 /nfs/dbraw/zinc/50/57/08/384505708.db2.gz KIDIWSPNMARBQG-RFGFWPKPSA-N 1 0 245.322 2.103 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1c(F)cccc1F ZINC000054929478 384514677 /nfs/dbraw/zinc/51/46/77/384514677.db2.gz NVPFPDRZMQPWGV-ZYHUDNBSSA-N 1 0 229.270 2.372 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000123262962 384542961 /nfs/dbraw/zinc/54/29/61/384542961.db2.gz FGXFSVVMIJFYQD-NEPJUHHUSA-N 1 0 244.338 2.341 10 0 BEAERO Cc1ccsc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000123265457 384544354 /nfs/dbraw/zinc/54/43/54/384544354.db2.gz KDDVWIRBIPCNMF-VHSXEESVSA-N 1 0 213.346 2.163 10 0 BEAERO CCC[C@H](C(=O)Nc1cnccc1C)[NH+](C)C ZINC000162015481 384558117 /nfs/dbraw/zinc/55/81/17/384558117.db2.gz WZNONQVWOGFXEV-GFCCVEGCSA-N 1 0 235.331 2.059 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCO ZINC000020187822 384588873 /nfs/dbraw/zinc/58/88/73/384588873.db2.gz KAQXLSAOMMGBQJ-AGIUHOORSA-N 1 0 213.365 2.419 10 0 BEAERO CC1(C)C(c2ccccc2)[N+](=O)C(C)(C)N1O ZINC000100074222 384614070 /nfs/dbraw/zinc/61/40/70/384614070.db2.gz ZWDCBKCWJMCKOF-UHFFFAOYSA-N 1 0 233.291 2.162 10 0 BEAERO Cc1ccc(C[NH2+]Cc2ccoc2)cn1 ZINC000062103666 384615960 /nfs/dbraw/zinc/61/59/60/384615960.db2.gz GTNPPWVLOBLJQP-UHFFFAOYSA-N 1 0 202.257 2.273 10 0 BEAERO C[C@H](Nc1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000335007346 384616944 /nfs/dbraw/zinc/61/69/44/384616944.db2.gz BKAPZIHDBSVZHE-IUCAKERBSA-N 1 0 226.270 2.375 10 0 BEAERO CC(=O)CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000103481099 384633278 /nfs/dbraw/zinc/63/32/78/384633278.db2.gz AFVCEHAAUBMBJE-AWEZNQCLSA-N 1 0 232.327 2.152 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccccc1F ZINC000084446474 384619902 /nfs/dbraw/zinc/61/99/02/384619902.db2.gz JEFZEOINMMJVJX-WHXUTIOJSA-N 1 0 223.291 2.247 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1 ZINC000050394465 384621168 /nfs/dbraw/zinc/62/11/68/384621168.db2.gz WLEPUDXUIVQSMC-STQMWFEESA-N 1 0 232.327 2.006 10 0 BEAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)cc1 ZINC000050393727 384621261 /nfs/dbraw/zinc/62/12/61/384621261.db2.gz IUWSHCKIAABVDD-RISCZKNCSA-N 1 0 246.354 2.178 10 0 BEAERO CC(C)(C)[C@H]1[NH2+][C@H](C(N)=O)C[C@@H]2CCCC[C@H]21 ZINC000100188933 384621484 /nfs/dbraw/zinc/62/14/84/384621484.db2.gz QEVWIWYBRGIBPE-USZNOCQGSA-N 1 0 238.375 2.055 10 0 BEAERO CC(C)(C)Sc1cccc(C(N)=[NH2+])n1 ZINC000081622657 384626717 /nfs/dbraw/zinc/62/67/17/384626717.db2.gz WMZDCYOZVXCRNL-UHFFFAOYSA-N 1 0 209.318 2.256 10 0 BEAERO COC(=O)CC[C@]1(c2ccccc2)CCC[NH2+]C1 ZINC000082311215 384665240 /nfs/dbraw/zinc/66/52/40/384665240.db2.gz MSEHWUVSPRUWRQ-OAHLLOKOSA-N 1 0 247.338 2.261 10 0 BEAERO CC[C@@H]([NH3+])CSc1nc(C)cs1 ZINC000081870130 384639951 /nfs/dbraw/zinc/63/99/51/384639951.db2.gz UXULRRMJQBRRGZ-SSDOTTSWSA-N 1 0 202.348 2.281 10 0 BEAERO C[C@H]1Sc2c(cc(F)cc2F)[C@@H]1[NH3+] ZINC000043636136 384728116 /nfs/dbraw/zinc/72/81/16/384728116.db2.gz QIJCZAJCUQGCOK-SPGJFGJESA-N 1 0 201.241 2.459 10 0 BEAERO Cc1cc2c(c3c(n2C)CC[NH2+]C3)c(C)c1 ZINC000034983531 384677968 /nfs/dbraw/zinc/67/79/68/384677968.db2.gz ZVZBPFVUUSBKNL-UHFFFAOYSA-N 1 0 214.312 2.441 10 0 BEAERO [NH3+]C[C@H](c1ccc(Cl)s1)n1ccnc1 ZINC000043254324 384682917 /nfs/dbraw/zinc/68/29/17/384682917.db2.gz HZXJJIBVWFFKKH-SSDOTTSWSA-N 1 0 227.720 2.146 10 0 BEAERO Cc1ccc(O[C@H](C)C[NH3+])c(Br)c1 ZINC000011946624 384726748 /nfs/dbraw/zinc/72/67/48/384726748.db2.gz VTPWGWKDPSBUOT-MRVPVSSYSA-N 1 0 244.132 2.484 10 0 BEAERO c1ccc2[nH]c(OCC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000051918744 384701511 /nfs/dbraw/zinc/70/15/11/384701511.db2.gz HAZQDTFVVLIESA-NSHDSACASA-N 1 0 245.326 2.331 10 0 BEAERO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000051323748 384702130 /nfs/dbraw/zinc/70/21/30/384702130.db2.gz WVULPWVQXHINAZ-VXGBXAGGSA-N 1 0 227.348 2.450 10 0 BEAERO OC[C@]1(c2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000258952735 384714758 /nfs/dbraw/zinc/71/47/58/384714758.db2.gz ZAVKWIOSBDPPLX-NSHDSACASA-N 1 0 246.137 2.217 10 0 BEAERO C[C@@H]1Oc2ccc(Br)cc2[C@H]1[NH3+] ZINC000043635067 384721211 /nfs/dbraw/zinc/72/12/11/384721211.db2.gz UKVOIDKDARSJLE-CDUCUWFYSA-N 1 0 228.089 2.230 10 0 BEAERO C[C@@H]1Oc2c(cc(F)cc2Br)[C@H]1[NH3+] ZINC000043635012 384721876 /nfs/dbraw/zinc/72/18/76/384721876.db2.gz DSSJDNLFGWUGSY-NVNXEXLPSA-N 1 0 246.079 2.369 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000052273110 384729597 /nfs/dbraw/zinc/72/95/97/384729597.db2.gz GKVAQVAGGZXXBM-PWSUYJOCSA-N 1 0 233.311 2.346 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]CCC(C)(C)C(=O)OC ZINC000309938001 384734968 /nfs/dbraw/zinc/73/49/68/384734968.db2.gz ALLSWYRWCGFSBN-MNOVXSKESA-N 1 0 227.348 2.354 10 0 BEAERO CC(C)CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052554682 384736945 /nfs/dbraw/zinc/73/69/45/384736945.db2.gz KCCMFRHEIRLBAS-CQSZACIVSA-N 1 0 248.370 2.452 10 0 BEAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2cccnc2)cc1 ZINC000022209340 384745286 /nfs/dbraw/zinc/74/52/86/384745286.db2.gz AZDFNLDYNZJBKI-SNVBAGLBSA-N 1 0 241.294 2.354 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnn(C)c1C ZINC000126277483 384759195 /nfs/dbraw/zinc/75/91/95/384759195.db2.gz MEOFCEJVBWGTEN-JQWIXIFHSA-N 1 0 207.321 2.007 10 0 BEAERO [NH3+]Cc1ccc(C2CCC(=O)CC2)cc1 ZINC000083344039 384759951 /nfs/dbraw/zinc/75/99/51/384759951.db2.gz ZFLOPJKIDZBHPK-UHFFFAOYSA-N 1 0 203.285 2.372 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cn(C)nc1C ZINC000126274753 384759978 /nfs/dbraw/zinc/75/99/78/384759978.db2.gz PVXFESUJZOGPDL-ZYHUDNBSSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@@H]1CC(C[NH2+]C[C@H](O)C(C)(C)C)C[C@@H](C)O1 ZINC000518171108 384762818 /nfs/dbraw/zinc/76/28/18/384762818.db2.gz QDANNTGONZEUNT-WZRBSPASSA-N 1 0 243.391 2.187 10 0 BEAERO C[C@@H]([NH3+])COc1ccc(C(F)(F)F)cc1 ZINC000075881436 384764563 /nfs/dbraw/zinc/76/45/63/384764563.db2.gz LEDXTXLXZZVLGQ-SSDOTTSWSA-N 1 0 219.206 2.431 10 0 BEAERO Cn1nccc1C[NH2+]C/C=C\c1ccccc1 ZINC000211957519 384771597 /nfs/dbraw/zinc/77/15/97/384771597.db2.gz CHQQLIFUUVUKFY-YVMONPNESA-N 1 0 227.311 2.223 10 0 BEAERO COc1cc(F)c([C@@H]2CCC[NH2+]2)cc1OC ZINC000072202381 384818668 /nfs/dbraw/zinc/81/86/68/384818668.db2.gz HFISRMJFJAGEBX-JTQLQIEISA-N 1 0 225.263 2.267 10 0 BEAERO CCC[C@H](CC)[NH2+][C@H]1CCc2nccn2C1 ZINC000310006145 384781169 /nfs/dbraw/zinc/78/11/69/384781169.db2.gz GRPWMMNFAWEFHW-RYUDHWBXSA-N 1 0 221.348 2.366 10 0 BEAERO C[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)C1CC1 ZINC000309737595 384781447 /nfs/dbraw/zinc/78/14/47/384781447.db2.gz CRRHZFMNGLQUSJ-SNVBAGLBSA-N 1 0 219.332 2.108 10 0 BEAERO COC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000300094653 533089027 /nfs/dbraw/zinc/08/90/27/533089027.db2.gz YOHNPTOOBVDPSD-SOUVJXGZSA-N 1 0 249.354 2.125 10 0 BEAERO CC[C@@H]([NH2+]CCNC(=O)C(C)C)C(C)(C)C ZINC000310025561 384789688 /nfs/dbraw/zinc/78/96/88/384789688.db2.gz PCQZHJZXGUBXFP-LLVKDONJSA-N 1 0 228.380 2.173 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000310038293 384805363 /nfs/dbraw/zinc/80/53/63/384805363.db2.gz VYKLFGNBUGJACF-AAEUAGOBSA-N 1 0 221.348 2.479 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCF ZINC000375714875 384807281 /nfs/dbraw/zinc/80/72/81/384807281.db2.gz RZMHHYQNVMBZNC-STQMWFEESA-N 1 0 228.355 2.295 10 0 BEAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCCC[C@@H]1O ZINC000053883660 384809353 /nfs/dbraw/zinc/80/93/53/384809353.db2.gz AVTWDZJQFZJQOI-KGLIPLIRSA-N 1 0 234.343 2.065 10 0 BEAERO C[N@H+](CCc1ccccn1)C[C@@H]1CCCC[C@@H]1O ZINC000053882492 384811464 /nfs/dbraw/zinc/81/14/64/384811464.db2.gz CTHFKNHDIMQFDP-ZFWWWQNUSA-N 1 0 248.370 2.107 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCC2)C12CCC2 ZINC000376178787 384844927 /nfs/dbraw/zinc/84/49/27/384844927.db2.gz UNTPYPVGYKRVMC-ZMLRMANQSA-N 1 0 209.333 2.332 10 0 BEAERO C[C@@](O)(C[NH3+])c1cc(Cl)ccc1Cl ZINC000055032567 384864425 /nfs/dbraw/zinc/86/44/25/384864425.db2.gz ITSXYMKLAXMFSJ-SECBINFHSA-N 1 0 220.099 2.160 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+][C@@H](C)C(C)C ZINC000127522592 384865962 /nfs/dbraw/zinc/86/59/62/384865962.db2.gz ZSNXBKBUDMUAAQ-RYUDHWBXSA-N 1 0 200.370 2.351 10 0 BEAERO Cc1cc(C)c(NC2=[NH+]CCN2)c(Cl)c1 ZINC000026180965 384867869 /nfs/dbraw/zinc/86/78/69/384867869.db2.gz ZDUXIFRRLHCEJA-UHFFFAOYSA-N 1 0 223.707 2.328 10 0 BEAERO Cc1csc(C[NH2+][C@H]2CCCC[C@H]2CO)n1 ZINC000164268268 384953012 /nfs/dbraw/zinc/95/30/12/384953012.db2.gz WBUPVUASEKFPGM-QWRGUYRKSA-N 1 0 240.372 2.092 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccsc1 ZINC000054686024 384954818 /nfs/dbraw/zinc/95/48/18/384954818.db2.gz VZEFGKMNDNQDPU-STQMWFEESA-N 1 0 233.336 2.352 10 0 BEAERO CCOc1ccc(C[NH3+])c(OCC)c1C ZINC000575721488 384899900 /nfs/dbraw/zinc/89/99/00/384899900.db2.gz MRKWNAAXHSNXRY-UHFFFAOYSA-N 1 0 209.289 2.251 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1nccc(C(C)(C)C)n1 ZINC000310205389 384902039 /nfs/dbraw/zinc/90/20/39/384902039.db2.gz BOULYTVPQMFKIA-SNVBAGLBSA-N 1 0 236.363 2.169 10 0 BEAERO CCCc1nnc(N[C@@H](C)CC[NH+](C)C)s1 ZINC000301646740 384902974 /nfs/dbraw/zinc/90/29/74/384902974.db2.gz DLTQHKKXRFJLCV-VIFPVBQESA-N 1 0 242.392 2.243 10 0 BEAERO CC(C)=CC[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000365551591 384908724 /nfs/dbraw/zinc/90/87/24/384908724.db2.gz HYTYPGGEHMCJOV-LBPRGKRZSA-N 1 0 219.332 2.001 10 0 BEAERO CC(C)(C)CC[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000365615652 384909342 /nfs/dbraw/zinc/90/93/42/384909342.db2.gz YZNBVBYUBUFUNR-JTQLQIEISA-N 1 0 221.348 2.293 10 0 BEAERO CO[C@H](c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000095555188 384909834 /nfs/dbraw/zinc/90/98/34/384909834.db2.gz ATIFLIBBENKCKM-LLVKDONJSA-N 1 0 211.692 2.247 10 0 BEAERO CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106423746 384916548 /nfs/dbraw/zinc/91/65/48/384916548.db2.gz BCUFSALWAZWLHP-TZMCWYRMSA-N 1 0 248.370 2.074 10 0 BEAERO CC(C)CC[NH2+]CCOc1ccccn1 ZINC000057353362 384944258 /nfs/dbraw/zinc/94/42/58/384944258.db2.gz CPLOEIKIEQYZLH-UHFFFAOYSA-N 1 0 208.305 2.096 10 0 BEAERO CCSCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000156818688 384981907 /nfs/dbraw/zinc/98/19/07/384981907.db2.gz VNQPGWWANGTAQI-OLZOCXBDSA-N 1 0 243.416 2.367 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cccs1 ZINC000307333566 384989425 /nfs/dbraw/zinc/98/94/25/384989425.db2.gz QKXRZVHEHRMLLT-VHSXEESVSA-N 1 0 211.330 2.093 10 0 BEAERO C[C@H]([NH3+])c1ccc(Oc2ncccn2)cc1 ZINC000058824589 385023518 /nfs/dbraw/zinc/02/35/18/385023518.db2.gz JUYNLYXRIHONMN-VIFPVBQESA-N 1 0 215.256 2.289 10 0 BEAERO COc1ncc(C[NH2+][C@@H](C)C(C)C)s1 ZINC000308711789 385009058 /nfs/dbraw/zinc/00/90/58/385009058.db2.gz ZHADAXKXXJUMCC-QMMMGPOBSA-N 1 0 214.334 2.286 10 0 BEAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339515138 385009321 /nfs/dbraw/zinc/00/93/21/385009321.db2.gz ZCRYNZLXZFCRML-GFCCVEGCSA-N 1 0 240.391 2.315 10 0 BEAERO Cc1c(-c2cc(C[NH3+])ccc2C)cnn1C ZINC000164996776 385059036 /nfs/dbraw/zinc/05/90/36/385059036.db2.gz CUHABRLEUKPWSB-UHFFFAOYSA-N 1 0 215.300 2.163 10 0 BEAERO CC(=O)Nc1ccccc1SCCC[NH3+] ZINC000058825663 385027079 /nfs/dbraw/zinc/02/70/79/385027079.db2.gz YLIKZSZPGFZULE-UHFFFAOYSA-N 1 0 224.329 2.086 10 0 BEAERO CC1(C)CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000310386802 385028689 /nfs/dbraw/zinc/02/86/89/385028689.db2.gz HZAUTWGDQADBKG-GFCCVEGCSA-N 1 0 238.375 2.071 10 0 BEAERO CC[C@@H]([NH2+]C1CC(C)C1)c1cnn(C)c1 ZINC000130402624 385029781 /nfs/dbraw/zinc/02/97/81/385029781.db2.gz IQTWKBJBAMISFQ-QEWOUOOISA-N 1 0 207.321 2.259 10 0 BEAERO C[C@H](CO)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000086629672 385032617 /nfs/dbraw/zinc/03/26/17/385032617.db2.gz BLVZODCUMGHRFE-RYUDHWBXSA-N 1 0 233.355 2.454 10 0 BEAERO Cn1cc([C@H]2CC[N@H+](Cc3cccs3)C2)cn1 ZINC000128404113 385033481 /nfs/dbraw/zinc/03/34/81/385033481.db2.gz GROXFGPQPKVDMV-NSHDSACASA-N 1 0 247.367 2.471 10 0 BEAERO Cc1cnc(CC[N@H+]2C[C@@H](O)CC[C@@H]2C)c(C)c1 ZINC000401021211 385034046 /nfs/dbraw/zinc/03/40/46/385034046.db2.gz GYNKIRHZGOTRTM-KBPBESRZSA-N 1 0 248.370 2.086 10 0 BEAERO CCCCCCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377338012 385040411 /nfs/dbraw/zinc/04/04/11/385040411.db2.gz SDXISTXKCTYLON-OLZOCXBDSA-N 1 0 238.375 2.025 10 0 BEAERO C[C@@H]1SCC[N@H+](C2CCC(=O)CC2)[C@H]1C ZINC000157263863 385129822 /nfs/dbraw/zinc/12/98/22/385129822.db2.gz VWCZOFRGTBOMHX-UWVGGRQHSA-N 1 0 227.373 2.324 10 0 BEAERO [NH3+][C@@H](c1cscn1)c1ccc(F)cc1 ZINC000062354744 385133200 /nfs/dbraw/zinc/13/32/00/385133200.db2.gz CQLFWFXULVGQDZ-SNVBAGLBSA-N 1 0 208.261 2.330 10 0 BEAERO Cc1ccsc1[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000062234471 385105445 /nfs/dbraw/zinc/10/54/45/385105445.db2.gz LSDOPHKEKFGIBC-UWVGGRQHSA-N 1 0 211.330 2.483 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(-c2cccs2)no1 ZINC000070999963 385105933 /nfs/dbraw/zinc/10/59/33/385105933.db2.gz HFRNANVOKYDALC-HTQZYQBOSA-N 1 0 235.312 2.393 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(-c2cccs2)no1 ZINC000070999966 385105953 /nfs/dbraw/zinc/10/59/53/385105953.db2.gz HFRNANVOKYDALC-JGVFFNPUSA-N 1 0 235.312 2.393 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cnn(C)c1 ZINC000090175233 385215865 /nfs/dbraw/zinc/21/58/65/385215865.db2.gz XDCOKJUGXUTLML-UMNHJUIQSA-N 1 0 207.321 2.259 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044685389 385219650 /nfs/dbraw/zinc/21/96/50/385219650.db2.gz VJPJBAWQXWHFKB-RYUDHWBXSA-N 1 0 210.365 2.249 10 0 BEAERO CSCC[NH2+][C@H]1CCc2c1cccc2O ZINC000068996918 385240342 /nfs/dbraw/zinc/24/03/42/385240342.db2.gz HWJKIKBDXVRXSP-NSHDSACASA-N 1 0 223.341 2.332 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(C(C)C)C1=O ZINC000178394438 385240973 /nfs/dbraw/zinc/24/09/73/385240973.db2.gz VJAAFGKSRLWRBG-VXGBXAGGSA-N 1 0 226.364 2.020 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCN(C(C)C)C1=O ZINC000178394462 385241975 /nfs/dbraw/zinc/24/19/75/385241975.db2.gz VJAAFGKSRLWRBG-NEPJUHHUSA-N 1 0 226.364 2.020 10 0 BEAERO COC(=O)[C@]1(C)CCCN1Cc1ccc(C)o1 ZINC000189993973 385203895 /nfs/dbraw/zinc/20/38/95/385203895.db2.gz GKXLHAKYRFVLFP-ZDUSSCGKSA-N 1 0 237.299 2.116 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)CSC)C1(C)C ZINC000308937070 385305823 /nfs/dbraw/zinc/30/58/23/385305823.db2.gz LDTYFBLSWWFBDX-LNFKQOIKSA-N 1 0 231.405 2.387 10 0 BEAERO CCc1cc(N[C@@H]2CCO[C@H]2C)cc[nH+]1 ZINC000307766710 385258931 /nfs/dbraw/zinc/25/89/31/385258931.db2.gz FOQLUIPAYLNWMO-JOYOIKCWSA-N 1 0 206.289 2.233 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000052274755 385270238 /nfs/dbraw/zinc/27/02/38/385270238.db2.gz OAUUHIYPGBQYHF-MWLCHTKSSA-N 1 0 207.321 2.136 10 0 BEAERO C[NH2+][C@H](C)c1cnc(N2CCCC2)s1 ZINC000054900001 385293743 /nfs/dbraw/zinc/29/37/43/385293743.db2.gz IKHOPKLGCVPZRS-MRVPVSSYSA-N 1 0 211.334 2.024 10 0 BEAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000336704144 385349892 /nfs/dbraw/zinc/34/98/92/385349892.db2.gz LVQZVKMSBSUIKM-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1c1cccnn1 ZINC000259370903 385358932 /nfs/dbraw/zinc/35/89/32/385358932.db2.gz HJHLUNPKISSRGP-LBPRGKRZSA-N 1 0 205.305 2.412 10 0 BEAERO C[C@@H](NCC(C)(C)C[NH+](C)C)c1cncs1 ZINC000131886321 385367168 /nfs/dbraw/zinc/36/71/68/385367168.db2.gz XXNIXNSTBGBIQC-SNVBAGLBSA-N 1 0 241.404 2.382 10 0 BEAERO C[C@H]([NH2+]C1(CO)CC1)C1C(C)(C)C1(C)C ZINC000309021944 385374439 /nfs/dbraw/zinc/37/44/39/385374439.db2.gz XRZONGBYMKNBQF-VIFPVBQESA-N 1 0 211.349 2.172 10 0 BEAERO CCC[C@@H](C(=O)N[C@@H](C)C1CCCC1)[NH+](C)C ZINC000179326770 385375148 /nfs/dbraw/zinc/37/51/48/385375148.db2.gz GRAHJBKLJOGPOR-AAEUAGOBSA-N 1 0 240.391 2.412 10 0 BEAERO CC[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000644016922 385378877 /nfs/dbraw/zinc/37/88/77/385378877.db2.gz MSKUMDKCEMPOPX-OLZOCXBDSA-N 1 0 246.354 2.252 10 0 BEAERO CCC1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000644017827 385382430 /nfs/dbraw/zinc/38/24/30/385382430.db2.gz WERCCGUTPCTYRF-MCIGGMRASA-N 1 0 238.375 2.069 10 0 BEAERO [NH3+][C@@H](c1cn[nH]c1)c1ccc(Cl)s1 ZINC000062775956 385415347 /nfs/dbraw/zinc/41/53/47/385415347.db2.gz URVDAACBHQJWRN-QMMMGPOBSA-N 1 0 213.693 2.173 10 0 BEAERO Cc1ccc([C@@H]2C[NH2+]C(C)(C)CO2)s1 ZINC000036673114 385448751 /nfs/dbraw/zinc/44/87/51/385448751.db2.gz SPSUPOUHGAXXAT-VIFPVBQESA-N 1 0 211.330 2.496 10 0 BEAERO C[C@H]1c2cccn2CCN1CCC[NH+]1CCCC1 ZINC000179264114 385455394 /nfs/dbraw/zinc/45/53/94/385455394.db2.gz CNZHBHBQFQXHFY-AWEZNQCLSA-N 1 0 247.386 2.351 10 0 BEAERO CCOC(=O)c1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC000259411764 385429761 /nfs/dbraw/zinc/42/97/61/385429761.db2.gz IJJBURXJWOTGDD-CYBMUJFWSA-N 1 0 233.311 2.282 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000052762357 385466493 /nfs/dbraw/zinc/46/64/93/385466493.db2.gz VZGRZWSRJLWPRI-CYBMUJFWSA-N 1 0 211.349 2.414 10 0 BEAERO C[C@@H]1C[C@@](O)(c2ccsc2)CC[N@@H+]1C ZINC000156794528 385469526 /nfs/dbraw/zinc/46/95/26/385469526.db2.gz SQMXRNSICPZYLX-MWLCHTKSSA-N 1 0 211.330 2.050 10 0 BEAERO CCOc1ccc(CCC[NH2+]C)cc1OC ZINC000259472813 385475249 /nfs/dbraw/zinc/47/52/49/385475249.db2.gz MBPOJGFZLNJCTJ-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO CC[C@H](O)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336772997 385488459 /nfs/dbraw/zinc/48/84/59/385488459.db2.gz YILBEHUTQFWKBI-SRVKXCTJSA-N 1 0 217.328 2.265 10 0 BEAERO CCSCCC[NH2+]CCSCC ZINC000114897700 385463526 /nfs/dbraw/zinc/46/35/26/385463526.db2.gz QNPXIHGPFUVPAV-UHFFFAOYSA-N 1 0 207.408 2.472 10 0 BEAERO OC[C@@H]1C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000257946656 385513065 /nfs/dbraw/zinc/51/30/65/385513065.db2.gz LOUBOAXENYADHJ-GZMMTYOYSA-N 1 0 245.244 2.348 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccccc1OC(F)(F)F ZINC000036779066 385532066 /nfs/dbraw/zinc/53/20/66/385532066.db2.gz AUDYKSHDAJALTJ-SCZZXKLOSA-N 1 0 249.232 2.356 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000036779510 385534711 /nfs/dbraw/zinc/53/47/11/385534711.db2.gz OTYWOVALXLHKNO-UWVGGRQHSA-N 1 0 249.232 2.356 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1cccc(Br)c1 ZINC000036779457 385535522 /nfs/dbraw/zinc/53/55/22/385535522.db2.gz INXCPIBQZHVOJV-NXEZZACHSA-N 1 0 244.132 2.220 10 0 BEAERO C([NH2+]C[C@H]1CCSC1)[C@@H]1CC12CCOCC2 ZINC000309339261 385539121 /nfs/dbraw/zinc/53/91/21/385539121.db2.gz JSVQMZFOXYYQOU-NEPJUHHUSA-N 1 0 241.400 2.146 10 0 BEAERO [NH3+][C@H]1C[C@@]12CCc1ccc(Br)cc12 ZINC000258179759 385546700 /nfs/dbraw/zinc/54/67/00/385546700.db2.gz HCPSLGJNYBFEFE-WDEREUQCSA-N 1 0 238.128 2.364 10 0 BEAERO CC1([NH3+])CCN(c2ncccc2Cl)CC1 ZINC000643029476 385523933 /nfs/dbraw/zinc/52/39/33/385523933.db2.gz XQHIAEMLISEASB-UHFFFAOYSA-N 1 0 225.723 2.053 10 0 BEAERO C[NH+](C)[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000106770376 385528519 /nfs/dbraw/zinc/52/85/19/385528519.db2.gz XMVPPBTUIVENRK-CYBMUJFWSA-N 1 0 236.359 2.039 10 0 BEAERO CC(C)CCOCC[N@H+](C[C@@H](C)O)C(C)C ZINC000107050138 385550751 /nfs/dbraw/zinc/55/07/51/385550751.db2.gz DMFVZCHYVVJTCB-CYBMUJFWSA-N 1 0 231.380 2.140 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295321386 385551039 /nfs/dbraw/zinc/55/10/39/385551039.db2.gz GSZCGSVKXJYPGO-MFKMUULPSA-N 1 0 219.328 2.412 10 0 BEAERO CCn1nc(C)cc1-c1cccc(C[NH3+])c1 ZINC000258195043 385554268 /nfs/dbraw/zinc/55/42/68/385554268.db2.gz DBWXLAUYLGMGQO-UHFFFAOYSA-N 1 0 215.300 2.337 10 0 BEAERO CC(C)(C)C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000309404890 385572609 /nfs/dbraw/zinc/57/26/09/385572609.db2.gz WXZGOFVPIGDIQU-NSHDSACASA-N 1 0 221.348 2.081 10 0 BEAERO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037164404 385596961 /nfs/dbraw/zinc/59/69/61/385596961.db2.gz MYKAWWZQBBHUEK-ZIAGYGMSSA-N 1 0 249.354 2.478 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000037164534 385597791 /nfs/dbraw/zinc/59/77/91/385597791.db2.gz XBOPWRVNKPSTHH-UWVGGRQHSA-N 1 0 241.281 2.358 10 0 BEAERO C[C@H](C[NH3+])Nc1nc2ccccc2s1 ZINC000082576206 385580331 /nfs/dbraw/zinc/58/03/31/385580331.db2.gz UBZAADAJIYNFMB-SSDOTTSWSA-N 1 0 207.302 2.055 10 0 BEAERO C[NH2+][C@@H](CN)c1csc2ccccc12 ZINC000054464595 385590093 /nfs/dbraw/zinc/59/00/93/385590093.db2.gz FISGGBNMXVGGLG-JTQLQIEISA-N 1 0 206.314 2.121 10 0 BEAERO CCCC(CCC)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309461100 385592561 /nfs/dbraw/zinc/59/25/61/385592561.db2.gz NWIGSYYGIFWFAF-ZYHUDNBSSA-N 1 0 226.364 2.212 10 0 BEAERO CCOC[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122580012 385648952 /nfs/dbraw/zinc/64/89/52/385648952.db2.gz PCSAETZKFMTBEG-YNEHKIRRSA-N 1 0 229.364 2.062 10 0 BEAERO COC(=O)[C@H]1CCCCC[N@@H+]1C(C)(C)C ZINC000260019334 385649621 /nfs/dbraw/zinc/64/96/21/385649621.db2.gz JYDOLDNORDMGGB-SNVBAGLBSA-N 1 0 213.321 2.203 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)o1 ZINC000230197255 385717467 /nfs/dbraw/zinc/71/74/67/385717467.db2.gz JRQILWXUUHRMCA-SMDDNHRTSA-N 1 0 237.343 2.483 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000309583021 385715908 /nfs/dbraw/zinc/71/59/08/385715908.db2.gz RCOASHRCCUVRGK-STQMWFEESA-N 1 0 228.355 2.200 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)[C@H]1CCCO1 ZINC000309531083 385667004 /nfs/dbraw/zinc/66/70/04/385667004.db2.gz DIVSGARZIJVGBW-UMSGYPCISA-N 1 0 227.348 2.101 10 0 BEAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000309524367 385667071 /nfs/dbraw/zinc/66/70/71/385667071.db2.gz AWLLNUWPEWNQJE-VXGBXAGGSA-N 1 0 221.348 2.222 10 0 BEAERO C=Cn1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000282301668 385750169 /nfs/dbraw/zinc/75/01/69/385750169.db2.gz RUHAYQKTMVKPJF-CLLJXQQHSA-N 1 0 249.358 2.277 10 0 BEAERO Cc1nnc2n1CCC[C@H]2[NH2+][C@@H](C)C(C)C ZINC000309644667 385768035 /nfs/dbraw/zinc/76/80/35/385768035.db2.gz VPAHFVIJAALQRK-GXSJLCMTSA-N 1 0 222.336 2.056 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccn1 ZINC000231634804 385809361 /nfs/dbraw/zinc/80/93/61/385809361.db2.gz PRMXIGTZMDONRN-SCRDCRAPSA-N 1 0 234.343 2.283 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000336737994 385827579 /nfs/dbraw/zinc/82/75/79/385827579.db2.gz NXTKPDMPSQBFPT-NWDGAFQWSA-N 1 0 226.364 2.069 10 0 BEAERO C[NH2+][C@@H]1COC[C@@H]1c1sccc1Cl ZINC000575532649 385885659 /nfs/dbraw/zinc/88/56/59/385885659.db2.gz WZOWXGFUPVKQCO-POYBYMJQSA-N 1 0 217.721 2.103 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000336720880 385889294 /nfs/dbraw/zinc/88/92/94/385889294.db2.gz ZHYRTXBMELPBQV-WUHRBBMRSA-N 1 0 242.432 2.199 10 0 BEAERO C/C(=C/Cl)CC1([NH3+])CCC(O)CC1 ZINC000575533046 385890890 /nfs/dbraw/zinc/89/08/90/385890890.db2.gz ZSOKTGNCGIXSRX-FPLPWBNLSA-N 1 0 203.713 2.152 10 0 BEAERO C[C@H]1CC[C@@]([NH3+])(c2nccs2)CS1 ZINC000575533444 385892946 /nfs/dbraw/zinc/89/29/46/385892946.db2.gz BRQRVOBVKPPMCY-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO CN[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414964768 385909480 /nfs/dbraw/zinc/90/94/80/385909480.db2.gz CDSCXATVACSGQP-RTXFEEFZSA-N 1 0 210.365 2.153 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCC1(C)C)[C@@H](O)C(F)(F)F ZINC000336741402 385864448 /nfs/dbraw/zinc/86/44/48/385864448.db2.gz QZENYUKTXDKGNP-XHNCKOQMSA-N 1 0 239.281 2.466 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(F)cn2)c1 ZINC000221096790 385978055 /nfs/dbraw/zinc/97/80/55/385978055.db2.gz QHHXAQFYPOXUPS-NSHDSACASA-N 1 0 248.305 2.076 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(F)cn2)c1 ZINC000221096841 385979591 /nfs/dbraw/zinc/97/95/91/385979591.db2.gz QHHXAQFYPOXUPS-LLVKDONJSA-N 1 0 248.305 2.076 10 0 BEAERO C/C=C/[C@H]([NH3+])c1nscc1Br ZINC000575544336 385964024 /nfs/dbraw/zinc/96/40/24/385964024.db2.gz DFRPNZMLBUWANP-SZKDQXIBSA-N 1 0 233.134 2.482 10 0 BEAERO C/C(=C\Br)[C@@H]1CCC[NH2+]C1 ZINC000575544329 385964588 /nfs/dbraw/zinc/96/45/88/385964588.db2.gz CZBHLICOGCHYFW-WVXIBAHESA-N 1 0 204.111 2.285 10 0 BEAERO C[C@]([NH3+])(c1cncc(Br)c1)C1CC1 ZINC000575558349 385999913 /nfs/dbraw/zinc/99/99/13/385999913.db2.gz CPSULRKWYJXUAF-SNVBAGLBSA-N 1 0 241.132 2.428 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCn1ccnc1 ZINC000336721891 386000821 /nfs/dbraw/zinc/00/08/21/386000821.db2.gz DPYAAGAVNHFDAJ-CHWSQXEVSA-N 1 0 221.348 2.442 10 0 BEAERO C[C@H](CCCO)[NH2+][C@H]1CCC[C@H]1CCF ZINC000336751917 386010303 /nfs/dbraw/zinc/01/03/03/386010303.db2.gz GSTAMTQELYPKQB-WOPDTQHZSA-N 1 0 217.328 2.265 10 0 BEAERO CSc1ncc(Br)cc1C[NH3+] ZINC000307616461 386019389 /nfs/dbraw/zinc/01/93/89/386019389.db2.gz SSWSWBPFYFBLTA-UHFFFAOYSA-N 1 0 233.134 2.025 10 0 BEAERO CC[C@H]([NH2+]C[C@H]1CCCN1C)C(C)(C)C ZINC000336770805 386027672 /nfs/dbraw/zinc/02/76/72/386027672.db2.gz VYLRVWBIKZTKCF-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1N(Cc2ccccc2)CC[C@]1([NH3+])C1CC1 ZINC000575568792 386111024 /nfs/dbraw/zinc/11/10/24/386111024.db2.gz OGUWHMQSYNAZPZ-SWLSCSKDSA-N 1 0 230.355 2.388 10 0 BEAERO C[C@H]1SCCC[C@@]1([NH3+])c1cscn1 ZINC000575566331 386079932 /nfs/dbraw/zinc/07/99/32/386079932.db2.gz ULXJXOJWLOJOLA-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@H]1SCCC[C@@]1([NH3+])c1cncs1 ZINC000575567513 386092850 /nfs/dbraw/zinc/09/28/50/386092850.db2.gz YAAVYLBVCXTDDN-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055088801 386155053 /nfs/dbraw/zinc/15/50/53/386155053.db2.gz PPQAJINGHLFFSD-STQMWFEESA-N 1 0 238.375 2.153 10 0 BEAERO Cc1cc([C@]2([NH3+])CS[C@@H](C)C2)sn1 ZINC000575572820 386155864 /nfs/dbraw/zinc/15/58/64/386155864.db2.gz QOMMISYIFJATOD-IONNQARKSA-N 1 0 214.359 2.131 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000310356674 386173385 /nfs/dbraw/zinc/17/33/85/386173385.db2.gz QZEDXYAEJYYXDH-CQSZACIVSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@](C)([NH3+])c1nc(-c2ccco2)no1 ZINC000054445099 386127448 /nfs/dbraw/zinc/12/74/48/386127448.db2.gz YTYGKKUHCOLQOS-NSHDSACASA-N 1 0 221.260 2.304 10 0 BEAERO CCC[C@H](C)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000189993300 386140070 /nfs/dbraw/zinc/14/00/70/386140070.db2.gz GDEXZYJYQSHGMN-AAEUAGOBSA-N 1 0 227.348 2.450 10 0 BEAERO C[N@H+](C[C@@H]1Cc2ccccc21)C[C@@H]1CCC[C@@H]1O ZINC000287649882 386140937 /nfs/dbraw/zinc/14/09/37/386140937.db2.gz GPDHCZJPSJPSSO-DZKIICNBSA-N 1 0 245.366 2.419 10 0 BEAERO CC(C)[N@H+](C[C@@H](C)O)C[C@H]1Cc2ccccc21 ZINC000347062280 386208503 /nfs/dbraw/zinc/20/85/03/386208503.db2.gz VBNZAVVPOZVUSF-TZMCWYRMSA-N 1 0 233.355 2.418 10 0 BEAERO Cc1ccc(CNC2=[NH+]CCCS2)o1 ZINC000053040753 386200197 /nfs/dbraw/zinc/20/01/97/386200197.db2.gz CGHQWQLKUPHOEG-UHFFFAOYSA-N 1 0 210.302 2.171 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)C1CCCC1 ZINC000164787754 386298352 /nfs/dbraw/zinc/29/83/52/386298352.db2.gz YPFCJDTZJWGBEP-ZYHUDNBSSA-N 1 0 234.347 2.281 10 0 BEAERO Cc1cnn(CC[NH2+]Cc2cc(F)ccc2C)c1 ZINC000226509680 386322618 /nfs/dbraw/zinc/32/26/18/386322618.db2.gz BVYXZTHVPWVFQV-UHFFFAOYSA-N 1 0 247.317 2.429 10 0 BEAERO CN(C)c1ccc(F)c(Cl)c1C[NH3+] ZINC000575583785 386266031 /nfs/dbraw/zinc/26/60/31/386266031.db2.gz MOPRMXLXUKCJLO-UHFFFAOYSA-N 1 0 202.660 2.004 10 0 BEAERO C[C@H](O)CC[NH+]1CCC(c2nccs2)CC1 ZINC000336688864 386354258 /nfs/dbraw/zinc/35/42/58/386354258.db2.gz YXXXBYCLQLXJHC-JTQLQIEISA-N 1 0 240.372 2.093 10 0 BEAERO Cc1cccc(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000335271553 386359209 /nfs/dbraw/zinc/35/92/09/386359209.db2.gz XRLGPWHDLIYASE-CMPLNLGQSA-N 1 0 247.342 2.114 10 0 BEAERO CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366344215 386379006 /nfs/dbraw/zinc/37/90/06/386379006.db2.gz FFARPEPLDYMTHL-IJLUTSLNSA-N 1 0 238.375 2.151 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000347393057 386379414 /nfs/dbraw/zinc/37/94/14/386379414.db2.gz MCKFZDKIIBPPHZ-ZIAGYGMSSA-N 1 0 241.375 2.183 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336732622 386399651 /nfs/dbraw/zinc/39/96/51/386399651.db2.gz LNVXGINSPONGPR-WOPDTQHZSA-N 1 0 217.328 2.265 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC1CCCCC1 ZINC000399159372 386432432 /nfs/dbraw/zinc/43/24/32/386432432.db2.gz JRZAQOKQHGGGHP-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1c(C)nn(C)c1C ZINC000165032245 386496989 /nfs/dbraw/zinc/49/69/89/386496989.db2.gz GMLUKWFFMOCGNS-AAEUAGOBSA-N 1 0 221.348 2.315 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000135287046 386499290 /nfs/dbraw/zinc/49/92/90/386499290.db2.gz WSKDKFUQCSNHPN-UPJWGTAASA-N 1 0 238.375 2.008 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC000135285713 386499704 /nfs/dbraw/zinc/49/97/04/386499704.db2.gz FULDWSFHBXENKB-NWDGAFQWSA-N 1 0 233.355 2.282 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000519613927 386510918 /nfs/dbraw/zinc/51/09/18/386510918.db2.gz NLMSQBBXOWQJIH-MROQNXINSA-N 1 0 238.375 2.069 10 0 BEAERO COC(=O)c1coc(C[NH2+]C2CCCCC2)c1 ZINC000135411824 386511503 /nfs/dbraw/zinc/51/15/03/386511503.db2.gz KKOVEVSGRLAIBI-UHFFFAOYSA-N 1 0 237.299 2.489 10 0 BEAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1cccs1 ZINC000399218036 386458372 /nfs/dbraw/zinc/45/83/72/386458372.db2.gz BAIYQTIRDMGEIX-KCJUWKMLSA-N 1 0 238.356 2.053 10 0 BEAERO COc1ccccc1C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399227398 386462393 /nfs/dbraw/zinc/46/23/93/386462393.db2.gz ZJVUSJMMXVBCKC-WCQYABFASA-N 1 0 235.327 2.040 10 0 BEAERO CSCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000187782105 386594527 /nfs/dbraw/zinc/59/45/27/386594527.db2.gz KCOHUJGHGBJIHU-RYUDHWBXSA-N 1 0 239.388 2.319 10 0 BEAERO Cc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000414450570 386532439 /nfs/dbraw/zinc/53/24/39/386532439.db2.gz XYZCPRKMPIARKP-VXGBXAGGSA-N 1 0 249.358 2.078 10 0 BEAERO C[C@]1(CN2CCc3sccc3C2)CC[NH2+]C1 ZINC000062910779 386532848 /nfs/dbraw/zinc/53/28/48/386532848.db2.gz PYIXQRXFJZCXRB-ZDUSSCGKSA-N 1 0 236.384 2.106 10 0 BEAERO CN(Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000062911528 386533394 /nfs/dbraw/zinc/53/33/94/386533394.db2.gz SPGDEVCGIDYDAZ-CQSZACIVSA-N 1 0 236.334 2.257 10 0 BEAERO CN(Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000062911527 386533658 /nfs/dbraw/zinc/53/36/58/386533658.db2.gz SPGDEVCGIDYDAZ-AWEZNQCLSA-N 1 0 236.334 2.257 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[S@](C)=O ZINC000336733599 386544689 /nfs/dbraw/zinc/54/46/89/386544689.db2.gz MMYBEGFGUWJKBU-OXIQGZBJSA-N 1 0 231.405 2.312 10 0 BEAERO C[C@]1(C(=O)N2CCCCCCC2)CCCC[NH2+]1 ZINC000136135439 386570923 /nfs/dbraw/zinc/57/09/23/386570923.db2.gz KBBXDTILYOJGDR-CQSZACIVSA-N 1 0 238.375 2.311 10 0 BEAERO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336758094 386627065 /nfs/dbraw/zinc/62/70/65/386627065.db2.gz KLYSJHYJJGLUPM-IJLUTSLNSA-N 1 0 217.328 2.121 10 0 BEAERO CC(C)([NH3+])c1cn(CCC2CCCC2)nn1 ZINC000300718532 386608687 /nfs/dbraw/zinc/60/86/87/386608687.db2.gz AKXHFRBCTXXCGC-UHFFFAOYSA-N 1 0 222.336 2.052 10 0 BEAERO Cc1nc([C@@H]([NH3+])[C@H]2CCSC2)cs1 ZINC000307496334 386687657 /nfs/dbraw/zinc/68/76/57/386687657.db2.gz RPEGVSIKKLCNOO-CBAPKCEASA-N 1 0 214.359 2.204 10 0 BEAERO Cc1nc([C@@H]([NH3+])[C@@H]2CCSC2)cs1 ZINC000307496333 386689808 /nfs/dbraw/zinc/68/98/08/386689808.db2.gz RPEGVSIKKLCNOO-APPZFPTMSA-N 1 0 214.359 2.204 10 0 BEAERO Cc1c(C[NH2+][C@H]2CCCC(F)(F)C2)cnn1C ZINC000334148472 386747007 /nfs/dbraw/zinc/74/70/07/386747007.db2.gz GDYRCWCLUTWYPB-NSHDSACASA-N 1 0 243.301 2.396 10 0 BEAERO CC[C@H]([NH2+]C[C@H](O)C(C)C)C(C)(C)C ZINC000336671740 386822324 /nfs/dbraw/zinc/82/23/24/386822324.db2.gz ZDJJCQRJYGYKHZ-QWRGUYRKSA-N 1 0 201.354 2.418 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2ccsc2Br)C1 ZINC000575454237 386833519 /nfs/dbraw/zinc/83/35/19/386833519.db2.gz SBHKMVBEVHRARX-IYSWYEEDSA-N 1 0 248.145 2.299 10 0 BEAERO C(C1CCC1)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334791636 386856586 /nfs/dbraw/zinc/85/65/86/386856586.db2.gz XZPBNWIXKGZDPK-OLZOCXBDSA-N 1 0 221.344 2.287 10 0 BEAERO FC(F)(F)C12CC(C1)CN2C[C@H]1CCC[NH2+]C1 ZINC000334852361 386902047 /nfs/dbraw/zinc/90/20/47/386902047.db2.gz GMQLJEVCWJXBNW-WHXUTIOJSA-N 1 0 248.292 2.013 10 0 BEAERO C[C@@H]1CCC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000334855439 386906492 /nfs/dbraw/zinc/90/64/92/386906492.db2.gz XLFAUAQMAJKAEH-RKDXNWHRSA-N 1 0 221.304 2.311 10 0 BEAERO Cn1cc([C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000116310035 386941789 /nfs/dbraw/zinc/94/17/89/386941789.db2.gz IWPWXPWEPLBCSW-CYBMUJFWSA-N 1 0 233.359 2.400 10 0 BEAERO C(C[N@@H+]1C[C@H]2CCCCC[C@@H]21)C1OCCO1 ZINC000368437825 386974851 /nfs/dbraw/zinc/97/48/51/386974851.db2.gz XCHBIBZUOKFMJT-NEPJUHHUSA-N 1 0 225.332 2.014 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@H]2C1 ZINC000398756161 386984650 /nfs/dbraw/zinc/98/46/50/386984650.db2.gz YVEZXUFUVLWBBN-YIYPIFLZSA-N 1 0 221.344 2.188 10 0 BEAERO C[NH2+][C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000168596537 387036160 /nfs/dbraw/zinc/03/61/60/387036160.db2.gz GNAKHARPFSWGLB-ZDUSSCGKSA-N 1 0 241.338 2.423 10 0 BEAERO F[C@@H](c1cncs1)C1CC[NH2+]CC1 ZINC000575465901 387062626 /nfs/dbraw/zinc/06/26/26/387062626.db2.gz GZZVTDPUBDPONW-SECBINFHSA-N 1 0 200.282 2.153 10 0 BEAERO C[C@@H]([NH3+])CCNc1cc(C(F)(F)F)ccn1 ZINC000085486237 387064242 /nfs/dbraw/zinc/06/42/42/387064242.db2.gz VJEGWZYTIJICFD-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO OC[C@H]1Cc2occc2[C@@H](C2CCCCC2)[NH2+]1 ZINC000575407939 387009373 /nfs/dbraw/zinc/00/93/73/387009373.db2.gz VVWZIFXAGMUNLB-BXUZGUMPSA-N 1 0 235.327 2.408 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1c(F)ccc(F)c1Cl ZINC000575457928 387021877 /nfs/dbraw/zinc/02/18/77/387021877.db2.gz MHTLCJWZQUAPOO-FFWSUHOLSA-N 1 0 203.619 2.433 10 0 BEAERO O=C1CN(Cc2ccccc2)c2cc[nH+]cc2N1 ZINC000575576791 387028111 /nfs/dbraw/zinc/02/81/11/387028111.db2.gz BGGLZJVJUZYAIM-UHFFFAOYSA-N 1 0 239.278 2.040 10 0 BEAERO Fc1ccc2c(c1Br)OCC[NH2+]C2 ZINC000575576992 387028955 /nfs/dbraw/zinc/02/89/55/387028955.db2.gz OAGYYLQVVMJIBL-UHFFFAOYSA-N 1 0 246.079 2.070 10 0 BEAERO Cc1[nH+]ccc(N[C@H](C)CF)c1Cl ZINC000575577133 387029510 /nfs/dbraw/zinc/02/95/10/387029510.db2.gz CDRGSQDNZZRCPR-ZCFIWIBFSA-N 1 0 202.660 2.235 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000334981194 387068654 /nfs/dbraw/zinc/06/86/54/387068654.db2.gz DKZQONTWCOBFEU-CMPLNLGQSA-N 1 0 209.333 2.070 10 0 BEAERO COc1ncccc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322334494 259705216 /nfs/dbraw/zinc/70/52/16/259705216.db2.gz PPHOGBXIRGDWAV-CKYFFXLPSA-N 1 0 220.316 2.224 10 0 BEAERO c1sc(N[C@H]2CC[NH2+]C2)nc1-c1ccccc1 ZINC000334991125 387080584 /nfs/dbraw/zinc/08/05/84/387080584.db2.gz AHJPOKMRHQBTML-NSHDSACASA-N 1 0 245.351 2.006 10 0 BEAERO c1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c[nH]1 ZINC000228348861 387083751 /nfs/dbraw/zinc/08/37/51/387083751.db2.gz SZNZLRUPQXBAIW-YNEHKIRRSA-N 1 0 220.316 2.062 10 0 BEAERO Clc1cnccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334994940 387085721 /nfs/dbraw/zinc/08/57/21/387085721.db2.gz WOKSOHVGAZCUCD-AOOOYVTPSA-N 1 0 237.734 2.066 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2ccco2)C1 ZINC000228275977 387086526 /nfs/dbraw/zinc/08/65/26/387086526.db2.gz OIVJWASEHOGFHN-WCQYABFASA-N 1 0 222.332 2.098 10 0 BEAERO COc1cccc([C@@H]([NH3+])CC(F)F)c1F ZINC000575437202 387104147 /nfs/dbraw/zinc/10/41/47/387104147.db2.gz AIKWWMQMJKMWMV-ZETCQYMHSA-N 1 0 219.206 2.489 10 0 BEAERO CC(=O)Oc1cccc([C@@H]([NH3+])CC(F)F)c1 ZINC000575437624 387108415 /nfs/dbraw/zinc/10/84/15/387108415.db2.gz KOXQLTDOLRXXTL-JTQLQIEISA-N 1 0 229.226 2.267 10 0 BEAERO CC[N@H+](C[C@H](C)CS(C)(=O)=O)[C@@H](C)C(C)C ZINC000119211400 387109270 /nfs/dbraw/zinc/10/92/70/387109270.db2.gz CLUZNUINGHEWTA-RYUDHWBXSA-N 1 0 249.420 2.034 10 0 BEAERO CC[N@H+](C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C(C)C ZINC000119211269 387109468 /nfs/dbraw/zinc/10/94/68/387109468.db2.gz CLUZNUINGHEWTA-NEPJUHHUSA-N 1 0 249.420 2.034 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])CC(F)F ZINC000575437777 387110869 /nfs/dbraw/zinc/11/08/69/387110869.db2.gz UEHSTOIZSXNQML-QMMMGPOBSA-N 1 0 201.216 2.350 10 0 BEAERO COc1c(F)cccc1[C@H]([NH3+])CC(F)F ZINC000575437860 387111460 /nfs/dbraw/zinc/11/14/60/387111460.db2.gz WVMWPGRSZNAODY-MRVPVSSYSA-N 1 0 219.206 2.489 10 0 BEAERO [NH3+][C@@H](CC(F)F)c1ccc2c(c1)OCCO2 ZINC000575437931 387112775 /nfs/dbraw/zinc/11/27/75/387112775.db2.gz ZARZXIONYVIPTJ-QMMMGPOBSA-N 1 0 229.226 2.113 10 0 BEAERO [NH3+][C@H](CNc1ccc2ccccc2n1)C1CC1 ZINC000113502439 387117618 /nfs/dbraw/zinc/11/76/18/387117618.db2.gz VZEWDZBHHVYCPN-GFCCVEGCSA-N 1 0 227.311 2.384 10 0 BEAERO COc1cc([C@H]([NH3+])CCF)cc(Cl)c1O ZINC000575439217 387121712 /nfs/dbraw/zinc/12/17/12/387121712.db2.gz QBDNZBCHSFWKFX-MRVPVSSYSA-N 1 0 233.670 2.414 10 0 BEAERO [NH3+][C@@H](CCF)c1cc2c(cc1Cl)OCO2 ZINC000575438367 387129270 /nfs/dbraw/zinc/12/92/70/387129270.db2.gz JOPJSKBZFUPPPS-QMMMGPOBSA-N 1 0 231.654 2.428 10 0 BEAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000120035988 387150692 /nfs/dbraw/zinc/15/06/92/387150692.db2.gz MSDLLUDDJHMYDR-AWEZNQCLSA-N 1 0 249.358 2.363 10 0 BEAERO CC1CCN(c2nc3c(s2)C[NH2+]CC3)CC1 ZINC000086662861 387153492 /nfs/dbraw/zinc/15/34/92/387153492.db2.gz MJJFLAPNOSVOJX-UHFFFAOYSA-N 1 0 237.372 2.025 10 0 BEAERO CC(C)(C)[C@H]1CCc2onc(C[NH3+])c2C1 ZINC000082645077 387155552 /nfs/dbraw/zinc/15/55/52/387155552.db2.gz NHUBHKDDRLTEOI-QMMMGPOBSA-N 1 0 208.305 2.284 10 0 BEAERO C[C@@H]1C[C@@H](c2ccccc2)C[C@H](O)[N@@H+]1C ZINC000536949854 387160608 /nfs/dbraw/zinc/16/06/08/387160608.db2.gz GMAAEVUSVBNALE-RTXFEEFZSA-N 1 0 205.301 2.203 10 0 BEAERO CCn1ccc([C@H]2C[NH2+]C[C@@]2(C)CC)n1 ZINC000536951484 387163548 /nfs/dbraw/zinc/16/35/48/387163548.db2.gz RJQJYQWXEPODPT-ZYHUDNBSSA-N 1 0 207.321 2.006 10 0 BEAERO COCCn1ccnc1[C@H]1[NH2+]CC12CCCCC2 ZINC000536953233 387166077 /nfs/dbraw/zinc/16/60/77/387166077.db2.gz GSXNRMNPCJKXKS-GFCCVEGCSA-N 1 0 249.358 2.124 10 0 BEAERO CC(C)[C@@H](C)c1nc2n(c1C[NH3+])CCCC2 ZINC000536956039 387169019 /nfs/dbraw/zinc/16/90/19/387169019.db2.gz WVUNNJAMWFTDCM-SNVBAGLBSA-N 1 0 221.348 2.438 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])CN1C/C(Cl)=C/Cl ZINC000575480085 387169848 /nfs/dbraw/zinc/16/98/48/387169848.db2.gz GZNXSYHLRORWIV-KSVRDVHTSA-N 1 0 223.147 2.117 10 0 BEAERO CC[C@]1(C(=O)NCCC2CCCC2)CC[NH2+]C1 ZINC000062893951 387177339 /nfs/dbraw/zinc/17/73/39/387177339.db2.gz MLIQLWTZBQBCJK-AWEZNQCLSA-N 1 0 238.375 2.073 10 0 BEAERO CC(C)NCc1ncsc1Br ZINC000575481753 387178570 /nfs/dbraw/zinc/17/85/70/387178570.db2.gz COWSORPHMRPLDK-UHFFFAOYSA-N 1 0 235.150 2.404 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000120290954 387184156 /nfs/dbraw/zinc/18/41/56/387184156.db2.gz GLDSCMYJYQBWQM-FMCLSXCISA-N 1 0 222.376 2.390 10 0 BEAERO Cc1cccc(Br)c1NCC[NH3+] ZINC000575482932 387184636 /nfs/dbraw/zinc/18/46/36/387184636.db2.gz YZXMWYMMHDZEGC-UHFFFAOYSA-N 1 0 229.121 2.128 10 0 BEAERO [NH3+][C@@H](CCF)c1c(F)cc(F)cc1F ZINC000575440504 387134848 /nfs/dbraw/zinc/13/48/48/387134848.db2.gz ZZHOFJZIRAFKAJ-QMMMGPOBSA-N 1 0 207.170 2.463 10 0 BEAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423371589 387226364 /nfs/dbraw/zinc/22/63/64/387226364.db2.gz HPRSOVNVWSVBKG-AVGNSLFASA-N 1 0 222.376 2.439 10 0 BEAERO Cc1ncc([C@H]([NH3+])[C@@H]2CCSC2)s1 ZINC000575491562 387276720 /nfs/dbraw/zinc/27/67/20/387276720.db2.gz XQHLUWLDVGSQSO-VXNVDRBHSA-N 1 0 214.359 2.204 10 0 BEAERO Cc1cnn(CC[NH2+]Cc2csc(C)c2)c1 ZINC000285831718 387281245 /nfs/dbraw/zinc/28/12/45/387281245.db2.gz ISNOKNGDJMWWNS-UHFFFAOYSA-N 1 0 235.356 2.351 10 0 BEAERO COC(=O)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000353897760 387291948 /nfs/dbraw/zinc/29/19/48/387291948.db2.gz JIZVZVURQVZJIK-GXTWGEPZSA-N 1 0 245.322 2.458 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000321758411 387302094 /nfs/dbraw/zinc/30/20/94/387302094.db2.gz CFNNFXZCXLOTPP-QNWHQSFQSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160574122 387306825 /nfs/dbraw/zinc/30/68/25/387306825.db2.gz QPOJDJFRQPEENE-GMSGAONNSA-N 1 0 241.132 2.342 10 0 BEAERO Cc1nn(CC(F)(F)F)cc1C[NH2+]C(C)C ZINC000575601698 387361423 /nfs/dbraw/zinc/36/14/23/387361423.db2.gz BGVUMTIJZUAHRU-UHFFFAOYSA-N 1 0 235.253 2.252 10 0 BEAERO O[C@@H]1CC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000575601851 387369393 /nfs/dbraw/zinc/36/93/93/387369393.db2.gz GHEHQDLOWARYEX-RKDXNWHRSA-N 1 0 202.257 2.191 10 0 BEAERO C[NH2+][C@@H]1CO[C@H](c2ccc(Cl)s2)C1 ZINC000575505973 387371986 /nfs/dbraw/zinc/37/19/86/387371986.db2.gz BJKWRWIFXBKFOW-BQBZGAKWSA-N 1 0 217.721 2.451 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2ccc(Cl)s2)C1 ZINC000575507481 387375384 /nfs/dbraw/zinc/37/53/84/387375384.db2.gz HSUGMWLWTPQTJQ-PHDIDXHHSA-N 1 0 203.694 2.190 10 0 BEAERO CC1([C@@H](O)c2sccc2Cl)C[NH2+]C1 ZINC000575497683 387335041 /nfs/dbraw/zinc/33/50/41/387335041.db2.gz JSUMXVQCMQFTAX-QMMMGPOBSA-N 1 0 217.721 2.044 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000292966653 387337190 /nfs/dbraw/zinc/33/71/90/387337190.db2.gz LWGOHSVCUCHDMM-PSASIEDQSA-N 1 0 241.718 2.313 10 0 BEAERO C[C@@H]1C[C@]2(CC(=O)CO2)C[N@@H+]1Cc1ccccc1 ZINC000575500834 387348144 /nfs/dbraw/zinc/34/81/44/387348144.db2.gz XQLUEJIOSCQJQY-DOMZBBRYSA-N 1 0 245.322 2.009 10 0 BEAERO CCOc1ccccc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352668925 387429231 /nfs/dbraw/zinc/42/92/31/387429231.db2.gz VYQKUVSMIQQDCG-UONOGXRCSA-N 1 0 249.354 2.431 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@]1(F)c1cncs1 ZINC000575517709 387434423 /nfs/dbraw/zinc/43/44/23/387434423.db2.gz HVRZXNDAOKXSKQ-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO C[C@@H]1CC[C@](F)(c2cncs2)C[NH2+]1 ZINC000575518754 387439893 /nfs/dbraw/zinc/43/98/93/387439893.db2.gz SXEZCIJZKQGMQM-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO c1ccc(O[C@H]2COCC[N@@H+](C3CCC3)C2)cc1 ZINC000077265829 387450264 /nfs/dbraw/zinc/45/02/64/387450264.db2.gz QSDWUWOYZQJXKC-OAHLLOKOSA-N 1 0 247.338 2.319 10 0 biogenic BEAERO C[C@@H]1CS[C@H]2CC(F)(F)CC[C@H]2[NH2+]1 ZINC000575521184 387451965 /nfs/dbraw/zinc/45/19/65/387451965.db2.gz YARWSNZULMWZPT-PRJMDXOYSA-N 1 0 207.289 2.268 10 0 BEAERO Cc1ncsc1[C@@]1(F)CC[C@H]([NH3+])C1 ZINC000575513877 387387989 /nfs/dbraw/zinc/38/79/89/387387989.db2.gz AKLPNRAKRLFQOJ-IONNQARKSA-N 1 0 200.282 2.128 10 0 BEAERO CCCC(CCC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000121680523 387392936 /nfs/dbraw/zinc/39/29/36/387392936.db2.gz SSEABFFGVUMHDJ-ZDUSSCGKSA-N 1 0 240.391 2.365 10 0 BEAERO CC1(C)[C@@H]([NH2+]CC2CCC2)[C@@H]2CCO[C@@H]21 ZINC000082944005 387393087 /nfs/dbraw/zinc/39/30/87/387393087.db2.gz JUFSMNXIZXFTJT-SRVKXCTJSA-N 1 0 209.333 2.190 10 0 BEAERO Cc1nnc(SC[C@H]2CC[C@H]([NH3+])C2)s1 ZINC000306570202 387396484 /nfs/dbraw/zinc/39/64/84/387396484.db2.gz YDHYMEFTVFDNIM-YUMQZZPRSA-N 1 0 229.374 2.066 10 0 BEAERO CSC[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162559406 387420214 /nfs/dbraw/zinc/42/02/14/387420214.db2.gz FAPPWHRMHOTKCJ-RCWTZXSCSA-N 1 0 229.389 2.141 10 0 BEAERO CC(=O)CC[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106211800 387526198 /nfs/dbraw/zinc/52/61/98/387526198.db2.gz ALVOVUBWVAQRQL-CYBMUJFWSA-N 1 0 249.358 2.153 10 0 BEAERO COC(=O)CCC[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000374550701 387467309 /nfs/dbraw/zinc/46/73/09/387467309.db2.gz TXNCOCOHOBUHKX-NWDGAFQWSA-N 1 0 225.332 2.204 10 0 BEAERO CC(C)C(=O)N1CCC[N@H+](CC(C)(C)C)CC1 ZINC000123632608 387589084 /nfs/dbraw/zinc/58/90/84/387589084.db2.gz TYCHZXKGBXROBS-UHFFFAOYSA-N 1 0 240.391 2.223 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1ccccc1F ZINC000042237117 387623274 /nfs/dbraw/zinc/62/32/74/387623274.db2.gz OYBIMPCVGUEGGD-BIMULSAOSA-N 1 0 223.291 2.390 10 0 BEAERO CC(C)C(=[NH2+])N[C@H]1CC[C@H](C)SC1 ZINC000575533650 387553266 /nfs/dbraw/zinc/55/32/66/387553266.db2.gz CHIRTIWFNJLBJA-IUCAKERBSA-N 1 0 200.351 2.493 10 0 BEAERO CC(C)[C@H](C(=O)N[C@H](C)C1CCCC1)[C@H](C)[NH3+] ZINC000399617909 387561670 /nfs/dbraw/zinc/56/16/70/387561670.db2.gz YBRBAZYXMYMKDF-LOWVWBTDSA-N 1 0 240.391 2.301 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CCC(F)(F)C2)cnn1C ZINC000281670699 387573058 /nfs/dbraw/zinc/57/30/58/387573058.db2.gz NZOODLPVCYSWRJ-SNVBAGLBSA-N 1 0 243.301 2.254 10 0 BEAERO C/C(=C/Br)[C@H]1CCCC[NH2+]1 ZINC000575545578 387627825 /nfs/dbraw/zinc/62/78/25/387627825.db2.gz MPBHJBWAXICQGP-NFXKFNAJSA-N 1 0 204.111 2.427 10 0 BEAERO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1CC ZINC000122679667 387575479 /nfs/dbraw/zinc/57/54/79/387575479.db2.gz CNXYEIMDAGECST-OLZOCXBDSA-N 1 0 212.381 2.449 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284198476 387577241 /nfs/dbraw/zinc/57/72/41/387577241.db2.gz BPJZJYPCCVRPDD-CMPLNLGQSA-N 1 0 249.358 2.041 10 0 BEAERO [NH3+]C1(c2c(F)cccc2Cl)CSC1 ZINC000575548061 387642796 /nfs/dbraw/zinc/64/27/96/387642796.db2.gz APIWGTBWKYXXFC-UHFFFAOYSA-N 1 0 217.696 2.380 10 0 BEAERO CC[C@@H]1CS[C@@]2(CCC[C@H](OC)C2)[NH2+]1 ZINC000300213806 387652237 /nfs/dbraw/zinc/65/22/37/387652237.db2.gz DHDDVMXMDHKRRQ-OUAUKWLOSA-N 1 0 215.362 2.387 10 0 BEAERO Cc1ccc(C)c(C[NH2+]CCCn2ccnn2)c1 ZINC000126433519 387683864 /nfs/dbraw/zinc/68/38/64/387683864.db2.gz CZBUTPXHAFPIIB-UHFFFAOYSA-N 1 0 244.342 2.075 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000126619939 387691418 /nfs/dbraw/zinc/69/14/18/387691418.db2.gz AMMCJMLXNJEHKT-CYBMUJFWSA-N 1 0 244.342 2.327 10 0 BEAERO Cc1ncc([C@@]2([NH3+])CS[C@@H](C)C2)s1 ZINC000575573109 387754467 /nfs/dbraw/zinc/75/44/67/387754467.db2.gz SRQJFTXUKPYILB-RCOVLWMOSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@@H]1OCC[C@]1([NH3+])c1ccc(Cl)s1 ZINC000575560689 387699681 /nfs/dbraw/zinc/69/96/81/387699681.db2.gz LKZHTBPBOVNCGZ-IMTBSYHQSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H](O)C(C)(C)[NH2+]Cc1csc(C2CC2)n1 ZINC000127131776 387705370 /nfs/dbraw/zinc/70/53/70/387705370.db2.gz NZJOYHPHFMGNKA-QMMMGPOBSA-N 1 0 240.372 2.270 10 0 BEAERO Cc1cc(C[C@]2([NH3+])CCSC2)cs1 ZINC000575564307 387706763 /nfs/dbraw/zinc/70/67/63/387706763.db2.gz FJBNFZVNSJEYGJ-SNVBAGLBSA-N 1 0 213.371 2.433 10 0 BEAERO CCCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000367605404 387732836 /nfs/dbraw/zinc/73/28/36/387732836.db2.gz GTSVBYXRARTGPN-GXTWGEPZSA-N 1 0 238.375 2.073 10 0 BEAERO CC1([NH3+])CCN(C/C(Cl)=C\Cl)CC1 ZINC000575567465 387735966 /nfs/dbraw/zinc/73/59/66/387735966.db2.gz JXFPWBDNYZDJBR-SOFGYWHQSA-N 1 0 223.147 2.119 10 0 BEAERO Cc1csc(C[N@@H+]2CCCC[C@@H](CO)C2)n1 ZINC000378125160 387765408 /nfs/dbraw/zinc/76/54/08/387765408.db2.gz GQJGPRXNKYZWLE-LLVKDONJSA-N 1 0 240.372 2.046 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CO)CCCO2 ZINC000129341792 387768643 /nfs/dbraw/zinc/76/86/43/387768643.db2.gz KNOWMQAQNCQSNC-YPMHNXCESA-N 1 0 235.327 2.179 10 0 BEAERO C[N@H+](Cc1ccc(F)cc1)Cc1ccnc(N)c1 ZINC000052731598 387806743 /nfs/dbraw/zinc/80/67/43/387806743.db2.gz IZPRKQHCZBXREW-UHFFFAOYSA-N 1 0 245.301 2.435 10 0 BEAERO CC(C)(C)OC(=O)[C@@](C)(C[NH3+])c1ccccc1 ZINC000390821985 387839969 /nfs/dbraw/zinc/83/99/69/387839969.db2.gz WIOFDFKVQCVYNS-AWEZNQCLSA-N 1 0 235.327 2.245 10 0 BEAERO Cc1ncc(C[N@@H+]2CCC[C@H]2CCCO)s1 ZINC000062337300 387853893 /nfs/dbraw/zinc/85/38/93/387853893.db2.gz PYWKIBSICADPAH-NSHDSACASA-N 1 0 240.372 2.188 10 0 BEAERO C[C@H](c1cccc(F)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193607314 387857297 /nfs/dbraw/zinc/85/72/97/387857297.db2.gz NANBYOXSXHPZJR-BNOWGMLFSA-N 1 0 248.345 2.380 10 0 BEAERO C[NH2+][C@@H]1CCSc2c(OC)cccc21 ZINC000041030798 387888568 /nfs/dbraw/zinc/88/85/68/387888568.db2.gz RTYBJAAGSRAFNZ-SECBINFHSA-N 1 0 209.314 2.452 10 0 BEAERO Cc1csc([C@@H]2CCC[N@H+](CCCO)C2)n1 ZINC000195441148 387917005 /nfs/dbraw/zinc/91/70/05/387917005.db2.gz MHQGQNKEILKEFH-LLVKDONJSA-N 1 0 240.372 2.013 10 0 BEAERO Cc1occc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000321014206 387930626 /nfs/dbraw/zinc/93/06/26/387930626.db2.gz UZJWFYOFFGUYBS-STQMWFEESA-N 1 0 223.316 2.229 10 0 BEAERO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)o1 ZINC000396663483 387941127 /nfs/dbraw/zinc/94/11/27/387941127.db2.gz OMNGLZGGGDOHNP-SRVKXCTJSA-N 1 0 222.332 2.379 10 0 BEAERO C[NH+](C)[C@H](CNCC(F)(F)F)c1ccccc1 ZINC000053994423 387974556 /nfs/dbraw/zinc/97/45/56/387974556.db2.gz CARYULKRJBLORG-LLVKDONJSA-N 1 0 246.276 2.441 10 0 BEAERO C[C@H]([NH3+])c1nc2ccccc2n1C[C@H]1CCCO1 ZINC000053994559 387976214 /nfs/dbraw/zinc/97/62/14/387976214.db2.gz CUASCTAGWGEWSG-WDEREUQCSA-N 1 0 245.326 2.235 10 0 BEAERO COCCCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245872900 387989361 /nfs/dbraw/zinc/98/93/61/387989361.db2.gz XCCGVGOTAFCVGT-KGLIPLIRSA-N 1 0 241.375 2.447 10 0 BEAERO Cn1cccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245782177 387982083 /nfs/dbraw/zinc/98/20/83/387982083.db2.gz HSKFYXDNTJFDAP-BFHYXJOUSA-N 1 0 246.354 2.072 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000159088719 387984580 /nfs/dbraw/zinc/98/45/80/387984580.db2.gz LRLRTSWPZXUMIZ-AVGNSLFASA-N 1 0 212.381 2.349 10 0 BEAERO c1ccc(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)nc1 ZINC000246028625 388003041 /nfs/dbraw/zinc/00/30/41/388003041.db2.gz RNVZRGUMPYXETN-HUUCEWRRSA-N 1 0 246.354 2.268 10 0 BEAERO c1ccc(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)nc1 ZINC000246028620 388003064 /nfs/dbraw/zinc/00/30/64/388003064.db2.gz RNVZRGUMPYXETN-CABCVRRESA-N 1 0 246.354 2.268 10 0 BEAERO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c[nH]1 ZINC000246072308 388006604 /nfs/dbraw/zinc/00/66/04/388006604.db2.gz BROIZBWPNGIWSJ-BFHYXJOUSA-N 1 0 246.354 2.452 10 0 BEAERO [NH3+]CC1([C@@H](O)c2sccc2Cl)CC1 ZINC000306620707 388011641 /nfs/dbraw/zinc/01/16/41/388011641.db2.gz XONZSJUCRYRXNT-QMMMGPOBSA-N 1 0 217.721 2.174 10 0 BEAERO CCc1ccc([C@H]2C[NH2+][C@H](C)CO2)s1 ZINC000041062364 388018217 /nfs/dbraw/zinc/01/82/17/388018217.db2.gz DJPFIRLDTDXPQH-PSASIEDQSA-N 1 0 211.330 2.360 10 0 BEAERO C1=C(CN2CC[N@@H+]3CCCC[C@@H]3C2)CCC1 ZINC000645828808 388040800 /nfs/dbraw/zinc/04/08/00/388040800.db2.gz AYEBEUVOUCRUNN-CQSZACIVSA-N 1 0 220.360 2.267 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000246280739 388026657 /nfs/dbraw/zinc/02/66/57/388026657.db2.gz BNDNFGLXJLRDRR-NHCYSSNCSA-N 1 0 236.363 2.446 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000082991904 388044264 /nfs/dbraw/zinc/04/42/64/388044264.db2.gz KMICONITKUEPCE-BFHYXJOUSA-N 1 0 223.360 2.483 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246309914 388030594 /nfs/dbraw/zinc/03/05/94/388030594.db2.gz WDNPOXDAPZBVTM-QWHCGFSZSA-N 1 0 236.363 2.036 10 0 BEAERO C[NH2+][C@H](C)C(=O)c1cc(C)c(C)cc1C ZINC000071509769 388096168 /nfs/dbraw/zinc/09/61/68/388096168.db2.gz LADJRHTVATTWAT-LLVKDONJSA-N 1 0 205.301 2.402 10 0 BEAERO COC[C@H]([NH3+])c1cc(Br)cs1 ZINC000071546911 388098034 /nfs/dbraw/zinc/09/80/34/388098034.db2.gz VECGXKPVWFXFKF-LURJTMIESA-N 1 0 236.134 2.157 10 0 BEAERO c1n[nH]cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000038005905 388099707 /nfs/dbraw/zinc/09/97/07/388099707.db2.gz KQQVTHURLKUWLP-LBPRGKRZSA-N 1 0 229.283 2.023 10 0 BEAERO c1n[nH]cc1C[NH2+][C@H]1CSCc2ccccc21 ZINC000038006417 388109366 /nfs/dbraw/zinc/10/93/66/388109366.db2.gz QYTNXFQFGNEUHZ-ZDUSSCGKSA-N 1 0 245.351 2.487 10 0 BEAERO CCC[N@@H+](Cc1nnc(C)n1CC)CC1CC1 ZINC000195429639 388163095 /nfs/dbraw/zinc/16/30/95/388163095.db2.gz NBFSQPPJZDGXFC-UHFFFAOYSA-N 1 0 236.363 2.228 10 0 BEAERO CC(C)(C)OC(=O)Nc1ccc(C(N)=[NH2+])cc1 ZINC000070659982 388167948 /nfs/dbraw/zinc/16/79/48/388167948.db2.gz LOIHSQXRWGSFJV-UHFFFAOYSA-N 1 0 235.287 2.318 10 0 BEAERO COc1cncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000646088495 388139940 /nfs/dbraw/zinc/13/99/40/388139940.db2.gz AEVDHGJMXOLVFA-IACUBPJLSA-N 1 0 232.327 2.368 10 0 BEAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646092673 388141067 /nfs/dbraw/zinc/14/10/67/388141067.db2.gz HQONRVGLLSHNPA-WUHRBBMRSA-N 1 0 238.375 2.069 10 0 BEAERO [NH3+]Cc1nccc2c(F)cc(Cl)cc21 ZINC000521402256 256517332 /nfs/dbraw/zinc/51/73/32/256517332.db2.gz ZCAHTTPOMSEYJR-UHFFFAOYSA-N 1 0 210.639 2.486 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000251231943 388274562 /nfs/dbraw/zinc/27/45/62/388274562.db2.gz HPGYJFKMBCGGBR-OPRDCNLKSA-N 1 0 214.378 2.172 10 0 BEAERO C[C@](F)(c1cncs1)[C@H]1CCC[NH2+]1 ZINC000575518984 388355910 /nfs/dbraw/zinc/35/59/10/388355910.db2.gz XQLWSWXMZFACHG-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO CC(C)C(=[NH2+])N[C@H]1CCCSCC1 ZINC000575518720 388356350 /nfs/dbraw/zinc/35/63/50/388356350.db2.gz RTSDRJSJMDTPHN-VIFPVBQESA-N 1 0 200.351 2.495 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]2CCC(F)(F)C[C@H]2S1 ZINC000575520878 388357371 /nfs/dbraw/zinc/35/73/71/388357371.db2.gz UKIDPCNMIONHHH-BWZBUEFSSA-N 1 0 207.289 2.268 10 0 BEAERO C[C@@H](C[NH3+])Nc1cccc(Br)c1F ZINC000575523220 388358642 /nfs/dbraw/zinc/35/86/42/388358642.db2.gz HAPYFIBIHFIHCJ-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000575522975 388358648 /nfs/dbraw/zinc/35/86/48/388358648.db2.gz LSFSGXWTINOSNJ-NXEZZACHSA-N 1 0 242.363 2.417 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324815451 388389093 /nfs/dbraw/zinc/38/90/93/388389093.db2.gz UNPIRGVAXBWCTC-MGPQQGTHSA-N 1 0 223.360 2.458 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000042944579 388446007 /nfs/dbraw/zinc/44/60/07/388446007.db2.gz QTPXZKPCJBDDKS-KCJUWKMLSA-N 1 0 212.724 2.290 10 0 BEAERO COCC[C@H](COC)[NH2+]CC1CCC(C)CC1 ZINC000336719596 388467302 /nfs/dbraw/zinc/46/73/02/388467302.db2.gz RMPKFEDUDCFEBR-JXQTWKCFSA-N 1 0 243.391 2.454 10 0 BEAERO CCC[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)OC ZINC000309923132 388468486 /nfs/dbraw/zinc/46/84/86/388468486.db2.gz UCRGTCFTWCJRIO-NWDGAFQWSA-N 1 0 227.348 2.498 10 0 BEAERO CC[C@H]([NH2+]CCC(=O)NC(C)C)C(C)(C)C ZINC000336723539 388468680 /nfs/dbraw/zinc/46/86/80/388468680.db2.gz FALLVNVDTQISGR-NSHDSACASA-N 1 0 228.380 2.315 10 0 BEAERO C[C@@H](C[N@@H+]1C[C@H](C)C[C@@H](O)C1)C(C)(C)C ZINC000648862283 388473393 /nfs/dbraw/zinc/47/33/93/388473393.db2.gz KPRSSAJBUUBICV-GRYCIOLGSA-N 1 0 213.365 2.371 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)o1 ZINC000134244521 388474997 /nfs/dbraw/zinc/47/49/97/388474997.db2.gz JHHJYYSPTNLXSM-SKDRFNHKSA-N 1 0 209.289 2.109 10 0 BEAERO CCCc1nsc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000165739098 388409762 /nfs/dbraw/zinc/40/97/62/388409762.db2.gz JUUVEQNVJWLOHE-SFYZADRCSA-N 1 0 228.365 2.028 10 0 BEAERO CCOCCn1c2ccccc2nc1[C@@H](C)[NH3+] ZINC000040163833 388412581 /nfs/dbraw/zinc/41/25/81/388412581.db2.gz QOHMKQMCRRAWEX-SNVBAGLBSA-N 1 0 233.315 2.093 10 0 BEAERO CCCCc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000646678733 388413545 /nfs/dbraw/zinc/41/35/45/388413545.db2.gz HDAQYLANDQHUBZ-GFCCVEGCSA-N 1 0 248.370 2.496 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+][C@H]1CCCSC1 ZINC000134804710 388479407 /nfs/dbraw/zinc/47/94/07/388479407.db2.gz YEVMKMRHNNRAJC-RYUDHWBXSA-N 1 0 230.421 2.202 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCc1ccccc1 ZINC000296419913 388422573 /nfs/dbraw/zinc/42/25/73/388422573.db2.gz VNXNTRGZFFNMGE-DZGCQCFKSA-N 1 0 233.355 2.464 10 0 BEAERO C[C@H]1[C@H](O)CCCN1Cc1ccnc(Cl)c1 ZINC000296464118 388424318 /nfs/dbraw/zinc/42/43/18/388424318.db2.gz XOHPMISYYBDSON-GXSJLCMTSA-N 1 0 240.734 2.080 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)[C@H]1CC1(C)C ZINC000397656146 388487607 /nfs/dbraw/zinc/48/76/07/388487607.db2.gz FZRMDGIGTQRXAK-TUAOUCFPSA-N 1 0 240.391 2.314 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCN[C@H]1C)[C@H]1CC1(C)C ZINC000397670611 388488912 /nfs/dbraw/zinc/48/89/12/388488912.db2.gz QDGOGMBTHLEUFQ-KXNHARMFSA-N 1 0 210.365 2.151 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)[C@H]1CCCOC1 ZINC000348686108 388528139 /nfs/dbraw/zinc/52/81/39/388528139.db2.gz RMMNEDIDYWSPSV-FQUUOJAGSA-N 1 0 241.375 2.085 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccnn1C ZINC000219286412 388590341 /nfs/dbraw/zinc/59/03/41/388590341.db2.gz SNXPXHDBJZAWSI-HBNTYKKESA-N 1 0 207.321 2.259 10 0 BEAERO N[C@]1(c2ccccc2)CC[C@@H]2CCC[N@@H+]2C1 ZINC000091690792 388592225 /nfs/dbraw/zinc/59/22/25/388592225.db2.gz LXQAPKLETBYZPR-UONOGXRCSA-N 1 0 216.328 2.099 10 0 BEAERO CN(Cc1ccccc1)[C@H]1CCCC[NH2+]C1 ZINC000054134905 388593119 /nfs/dbraw/zinc/59/31/19/388593119.db2.gz XOYMABRSPJRUTH-AWEZNQCLSA-N 1 0 218.344 2.261 10 0 BEAERO CSC[C@H]([NH3+])c1cc(F)ccc1F ZINC000055243544 388597239 /nfs/dbraw/zinc/59/72/39/388597239.db2.gz TWTCYZOGLONYMM-VIFPVBQESA-N 1 0 203.257 2.328 10 0 BEAERO [NH3+][C@H](c1ccccc1)[C@@H](O)C1CCCC1 ZINC000054682287 388605484 /nfs/dbraw/zinc/60/54/84/388605484.db2.gz BMKCSBKAXSWVAK-OLZOCXBDSA-N 1 0 205.301 2.238 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)o1 ZINC000245940231 388611307 /nfs/dbraw/zinc/61/13/07/388611307.db2.gz MFRQYIAOTVKKAT-GARJFASQSA-N 1 0 209.289 2.416 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367689687 388566242 /nfs/dbraw/zinc/56/62/42/388566242.db2.gz QEJAWMNWMSLDHR-ZRJCITRHSA-N 1 0 235.327 2.083 10 0 BEAERO C[NH2+][C@H]1c2ccccc2Oc2ncccc21 ZINC000075621654 388575152 /nfs/dbraw/zinc/57/51/52/388575152.db2.gz WXDBRWHFGDQZHG-LBPRGKRZSA-N 1 0 212.252 2.496 10 0 BEAERO COC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000125674534 388674955 /nfs/dbraw/zinc/67/49/55/388674955.db2.gz QOGYIWGGPDJSOV-NEPJUHHUSA-N 1 0 227.348 2.354 10 0 BEAERO COc1cccc([C@H]([NH3+])CC(F)F)c1F ZINC000575437201 388621178 /nfs/dbraw/zinc/62/11/78/388621178.db2.gz AIKWWMQMJKMWMV-SSDOTTSWSA-N 1 0 219.206 2.489 10 0 BEAERO COc1cccc([C@H]([NH3+])CC(F)F)c1 ZINC000575437731 388622306 /nfs/dbraw/zinc/62/23/06/388622306.db2.gz RBYMSKQAIHYRKZ-SECBINFHSA-N 1 0 201.216 2.350 10 0 BEAERO COc1ccc([C@@H]([NH3+])CC(F)F)c(F)c1 ZINC000575439342 388627191 /nfs/dbraw/zinc/62/71/91/388627191.db2.gz RYRCUIJVKQPAGF-VIFPVBQESA-N 1 0 219.206 2.489 10 0 BEAERO CCC[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000246434125 388637139 /nfs/dbraw/zinc/63/71/39/388637139.db2.gz BMZHEDXHJHGCSP-JHJVBQTASA-N 1 0 240.391 2.221 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](C)O ZINC000222734381 388644108 /nfs/dbraw/zinc/64/41/08/388644108.db2.gz YPLFTNWYFSSQHA-VOAKCMCISA-N 1 0 213.365 2.418 10 0 BEAERO C[C@@H](O)CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124597250 388664158 /nfs/dbraw/zinc/66/41/58/388664158.db2.gz CGQGVLSPWROOGX-SECBINFHSA-N 1 0 229.270 2.485 10 0 BEAERO COCCCCC[NH2+][C@H]1CCCSC1 ZINC000128251309 388741919 /nfs/dbraw/zinc/74/19/19/388741919.db2.gz HFIHWNDWISSWLG-NSHDSACASA-N 1 0 217.378 2.288 10 0 BEAERO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CCCSC1 ZINC000128268967 388743610 /nfs/dbraw/zinc/74/36/10/388743610.db2.gz AOEFSKFQNJXSRH-QJPTWQEYSA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@@H]1C[C@H]1C[NH2+]Cc1csc(COC)n1 ZINC000648731987 388753311 /nfs/dbraw/zinc/75/33/11/388753311.db2.gz BITPMOXOAHCJDM-ZJUUUORDSA-N 1 0 240.372 2.425 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000192998611 388691675 /nfs/dbraw/zinc/69/16/75/388691675.db2.gz VRTDCOVKBRHVGQ-NEPJUHHUSA-N 1 0 236.363 2.276 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000127301680 388720750 /nfs/dbraw/zinc/72/07/50/388720750.db2.gz NUGHEASZROADOM-TZMCWYRMSA-N 1 0 245.370 2.105 10 0 BEAERO CC[C@@H](O)CC[NH2+]Cc1ccnc2ccccc12 ZINC000127382296 388721843 /nfs/dbraw/zinc/72/18/43/388721843.db2.gz KDFXOJFRLLHKSJ-CYBMUJFWSA-N 1 0 244.338 2.485 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000129064994 388814244 /nfs/dbraw/zinc/81/42/44/388814244.db2.gz WUNMHMOMIAGRBW-AVGNSLFASA-N 1 0 212.381 2.351 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(F)c(F)c1 ZINC000091525103 388764963 /nfs/dbraw/zinc/76/49/63/388764963.db2.gz KZUDUFRCYGTJLM-FKTRJACZSA-N 1 0 241.281 2.386 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1O ZINC000252695936 388772400 /nfs/dbraw/zinc/77/24/00/388772400.db2.gz AYRCKCGHWNNXKD-FRRDWIJNSA-N 1 0 229.364 2.085 10 0 BEAERO [NH3+]C1CC(=Cc2ccncc2Br)C1 ZINC000575456279 388785925 /nfs/dbraw/zinc/78/59/25/388785925.db2.gz NLXANQYOXXECNZ-UHFFFAOYSA-N 1 0 239.116 2.349 10 0 BEAERO CCCC(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000092933814 388822451 /nfs/dbraw/zinc/82/24/51/388822451.db2.gz OODIACHNBMAULU-LBPRGKRZSA-N 1 0 238.375 2.310 10 0 BEAERO CC[C@H]1CCC[C@@H]1[NH2+]CCc1nc(C)no1 ZINC000129385740 388837062 /nfs/dbraw/zinc/83/70/62/388837062.db2.gz SVFLSQYAAVGPHJ-QWRGUYRKSA-N 1 0 223.320 2.089 10 0 BEAERO [NH3+]Cc1cc(Br)c2c(c1)CCCO2 ZINC000575478251 388860782 /nfs/dbraw/zinc/86/07/82/388860782.db2.gz RLUCLCCBGFBAQW-UHFFFAOYSA-N 1 0 242.116 2.233 10 0 BEAERO O[C@@H](c1sccc1Cl)[C@H]1CC[NH2+]C1 ZINC000575487167 388874386 /nfs/dbraw/zinc/87/43/86/388874386.db2.gz MGMZYNNSAAOTOB-POYBYMJQSA-N 1 0 217.721 2.044 10 0 BEAERO [NH3+]CCCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000070201705 388877220 /nfs/dbraw/zinc/87/72/20/388877220.db2.gz NZMBOOUBRSYZJG-CQSZACIVSA-N 1 0 246.354 2.309 10 0 BEAERO CC1([C@H](O)c2sccc2Cl)C[NH2+]C1 ZINC000575497680 388986874 /nfs/dbraw/zinc/98/68/74/388986874.db2.gz JSUMXVQCMQFTAX-MRVPVSSYSA-N 1 0 217.721 2.044 10 0 BEAERO CC1([C@@H](O)c2ccc(Cl)s2)C[NH2+]C1 ZINC000575497805 388987743 /nfs/dbraw/zinc/98/77/43/388987743.db2.gz LWGUSJJNHNUFJC-QMMMGPOBSA-N 1 0 217.721 2.044 10 0 BEAERO [NH3+]C[C@H](O)c1cc(Cl)cc(Cl)c1F ZINC000575498071 388989497 /nfs/dbraw/zinc/98/94/97/388989497.db2.gz RCUOUBFAKCYOQV-ZETCQYMHSA-N 1 0 224.062 2.125 10 0 BEAERO C[C@]1(c2cncc(Br)c2)C[C@@H]1C[NH3+] ZINC000575499414 388989815 /nfs/dbraw/zinc/98/98/15/388989815.db2.gz KVFUASHOIJPDKG-PSASIEDQSA-N 1 0 241.132 2.080 10 0 BEAERO Cc1ccoc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000271178211 389017102 /nfs/dbraw/zinc/01/71/02/389017102.db2.gz KEWNWTKCJCKRSC-CHWSQXEVSA-N 1 0 234.343 2.257 10 0 BEAERO Cc1c([C@H](C)[NH3+])cnn1-c1ccccc1F ZINC000020216613 177631874 /nfs/dbraw/zinc/63/18/74/177631874.db2.gz ARBSRQWGTGCTMS-QMMMGPOBSA-N 1 0 219.263 2.340 10 0 BEAERO C[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000033754797 132312018 /nfs/dbraw/zinc/31/20/18/132312018.db2.gz BAVVLOJNXIXIEK-UHFFFAOYSA-N 1 0 218.344 2.439 10 0 BEAERO CC[C@@H]1CCCCN1c1cc[nH+]cc1N ZINC000019763604 132326946 /nfs/dbraw/zinc/32/69/46/132326946.db2.gz FERCYYOAWDLJSO-SNVBAGLBSA-N 1 0 205.305 2.433 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1c1ccnc(C[NH3+])c1 ZINC000051396021 132359971 /nfs/dbraw/zinc/35/99/71/132359971.db2.gz FROVZDXINZKCEI-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO CCN(C)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000041713544 169685776 /nfs/dbraw/zinc/68/57/76/169685776.db2.gz UFAAHUVNRHMKST-SECBINFHSA-N 1 0 221.304 2.190 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000084446428 322835179 /nfs/dbraw/zinc/83/51/79/322835179.db2.gz FDDRPEMGLXBXNT-KPFVRQRISA-N 1 0 211.349 2.316 10 0 BEAERO Cc1cccc(C[NH2+]CC2CC(O)C2)c1C ZINC000084445925 322835184 /nfs/dbraw/zinc/83/51/84/322835184.db2.gz XOXJCDDCLZHRMB-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO C[C@H]1CCC[C@H](C)C1[NH2+]CC1CC(O)C1 ZINC000084446650 322835204 /nfs/dbraw/zinc/83/52/04/322835204.db2.gz KPOMZVXCBMVQTJ-JYBOHDQNSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1cc([C@H](C)[NH2+]CC2CC(O)C2)c(C)o1 ZINC000084447615 322836050 /nfs/dbraw/zinc/83/60/50/322836050.db2.gz DIBQOQFMBVYZIJ-GCVQQVDUSA-N 1 0 223.316 2.318 10 0 BEAERO Cc1ccc(N2CC[NH2+]CC2)c2occc21 ZINC000013741470 132244070 /nfs/dbraw/zinc/24/40/70/132244070.db2.gz UCNFTIGXPRJLHU-UHFFFAOYSA-N 1 0 216.284 2.151 10 0 BEAERO CCc1nc(C(C)C)cc(N2CCC([NH3+])CC2)n1 ZINC000045951013 132299212 /nfs/dbraw/zinc/29/92/12/132299212.db2.gz DLPSIUQTIVUCOM-UHFFFAOYSA-N 1 0 248.374 2.090 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1ccccc1C ZINC000016945023 132323588 /nfs/dbraw/zinc/32/35/88/132323588.db2.gz NUPSGWHFCILDJS-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO CC[C@@H]1CN(c2cccc(C)c2C)CC[NH2+]1 ZINC000016944856 132323629 /nfs/dbraw/zinc/32/36/29/132323629.db2.gz PCNFWIIRFZXNBO-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CC[C@@H]1CN(c2cc(C)ccc2C)CC[NH2+]1 ZINC000016944873 132323681 /nfs/dbraw/zinc/32/36/81/132323681.db2.gz HSGLDIHKSUESMC-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1ccc(N2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000016944752 132323739 /nfs/dbraw/zinc/32/37/39/132323739.db2.gz TVUHNTABQMFNFU-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1cc(C)ccc1C ZINC000016945125 132323747 /nfs/dbraw/zinc/32/37/47/132323747.db2.gz MVFBVHVYWIFUAP-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO [NH3+]C[C@@]1(N2CCCc3ccccc32)CCSC1 ZINC000019486759 132325489 /nfs/dbraw/zinc/32/54/89/132325489.db2.gz MFLNVCPSCSWDMK-AWEZNQCLSA-N 1 0 248.395 2.274 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2ncccc2C[NH3+])C1 ZINC000022169125 132332352 /nfs/dbraw/zinc/33/23/52/132332352.db2.gz JTSAUHPRADRHPT-QWRGUYRKSA-N 1 0 219.332 2.023 10 0 BEAERO C[C@@H](C[NH3+])CN1c2ccccc2CC[C@H]1C ZINC000036677541 132342257 /nfs/dbraw/zinc/34/22/57/132342257.db2.gz GQMCQHZVTQLFIM-NWDGAFQWSA-N 1 0 218.344 2.423 10 0 BEAERO C[C@H](CN1c2ccccc2CC[C@H]1C)C(N)=[NH2+] ZINC000036678053 132342286 /nfs/dbraw/zinc/34/22/86/132342286.db2.gz LFFHXJLKXHDHQB-GHMZBOCLSA-N 1 0 231.343 2.400 10 0 BEAERO CN1c2ccccc2[C@H]([NH2+]CC2CC2)CC1=O ZINC000037187383 132343590 /nfs/dbraw/zinc/34/35/90/132343590.db2.gz OIXRTWAWNSVHRK-GFCCVEGCSA-N 1 0 230.311 2.094 10 0 BEAERO CC(C)CC[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090130 132343625 /nfs/dbraw/zinc/34/36/25/132343625.db2.gz YJNLZCSYFHNDCZ-CYBMUJFWSA-N 1 0 248.374 2.081 10 0 BEAERO C[NH2+]C1CCN(c2cc(C)ccc2F)CC1 ZINC000037242245 132343991 /nfs/dbraw/zinc/34/39/91/132343991.db2.gz HZCFDUMMYDITNQ-UHFFFAOYSA-N 1 0 222.307 2.322 10 0 BEAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)C1CC1 ZINC000037259671 132344111 /nfs/dbraw/zinc/34/41/11/132344111.db2.gz XIJKYBJRCUTBMO-GWCFXTLKSA-N 1 0 244.338 2.482 10 0 BEAERO [NH3+]C1CCN(c2cc(Cl)ccc2F)CC1 ZINC000037483618 132344635 /nfs/dbraw/zinc/34/46/35/132344635.db2.gz BQJHVUIOCAJCRS-UHFFFAOYSA-N 1 0 228.698 2.407 10 0 BEAERO C[C@@H]1CN(c2ccc(Cl)cc2)CC[NH2+]1 ZINC000039274038 132350865 /nfs/dbraw/zinc/35/08/65/132350865.db2.gz UECHCFXEJKAZEX-SECBINFHSA-N 1 0 210.708 2.138 10 0 BEAERO CCC1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000042446145 132352298 /nfs/dbraw/zinc/35/22/98/132352298.db2.gz IBOCVYVJXSGCIB-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO Cc1c(F)cccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000043321329 132352934 /nfs/dbraw/zinc/35/29/34/132352934.db2.gz VFFGBIUCKCFYAH-SKDRFNHKSA-N 1 0 222.307 2.308 10 0 BEAERO C[NH2+]C1CCN(c2ccccc2COC)CC1 ZINC000049508979 132355881 /nfs/dbraw/zinc/35/58/81/132355881.db2.gz KVVUVERWQWGCTM-UHFFFAOYSA-N 1 0 234.343 2.021 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1cccc(F)c1 ZINC000049693957 132356822 /nfs/dbraw/zinc/35/68/22/132356822.db2.gz OWOBPEFECWVNLW-KOLCDFICSA-N 1 0 208.280 2.142 10 0 BEAERO C[C@H]1CN(c2ccc(F)c(F)c2F)CC[C@@H]1[NH3+] ZINC000049707787 132356960 /nfs/dbraw/zinc/35/69/60/132356960.db2.gz NZMMGOUOTBQFSS-CBAPKCEASA-N 1 0 244.260 2.277 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc(F)c(F)c1F ZINC000049707801 132356965 /nfs/dbraw/zinc/35/69/65/132356965.db2.gz TVRQOMDZUIUQQO-JGVFFNPUSA-N 1 0 244.260 2.420 10 0 BEAERO C[C@H]1CN(c2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000049707861 132356971 /nfs/dbraw/zinc/35/69/71/132356971.db2.gz ZKOHLAJOWZBXLA-NHYWBVRUSA-N 1 0 230.355 2.349 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2)[C@H](C)C1 ZINC000049708576 132357171 /nfs/dbraw/zinc/35/71/71/132357171.db2.gz AKUTWGOYQZUILV-PWSUYJOCSA-N 1 0 222.307 2.402 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccccc1F ZINC000049708734 132357195 /nfs/dbraw/zinc/35/71/95/132357195.db2.gz FDEFOONQRZUILW-UWVGGRQHSA-N 1 0 208.280 2.142 10 0 BEAERO CCc1ccccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049708585 132357230 /nfs/dbraw/zinc/35/72/30/132357230.db2.gz YONDLAJBODIPGQ-YPMHNXCESA-N 1 0 218.344 2.423 10 0 BEAERO C[C@H]1CN(c2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000049708786 132357237 /nfs/dbraw/zinc/35/72/37/132357237.db2.gz BKINWIRRAGRRNJ-UFBFGSQYSA-N 1 0 226.270 2.138 10 0 BEAERO C[NH2+][C@H]1CCN(c2cc(F)cc(F)c2)C[C@@H]1C ZINC000049709536 132357366 /nfs/dbraw/zinc/35/73/66/132357366.db2.gz SCXWSBHRAHCGKN-ZANVPECISA-N 1 0 240.297 2.399 10 0 BEAERO COc1cccc(N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000049709836 132357509 /nfs/dbraw/zinc/35/75/09/132357509.db2.gz CZSHLKNYPFPVOZ-GHMZBOCLSA-N 1 0 220.316 2.011 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000049711489 132357736 /nfs/dbraw/zinc/35/77/36/132357736.db2.gz ITUSKGBASKHSAU-STQMWFEESA-N 1 0 247.386 2.329 10 0 BEAERO COCc1cccc(N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049713776 132357891 /nfs/dbraw/zinc/35/78/91/132357891.db2.gz IGQZQBTXRAFRGH-WCQYABFASA-N 1 0 234.343 2.149 10 0 BEAERO COCc1ccccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713787 132357895 /nfs/dbraw/zinc/35/78/95/132357895.db2.gz JPRDCEWVPQCSBG-YPMHNXCESA-N 1 0 234.343 2.007 10 0 BEAERO C[C@@H](CC[NH3+])CN1CCCc2ccccc21 ZINC000049816968 132358090 /nfs/dbraw/zinc/35/80/90/132358090.db2.gz RTSAEUNRGCHPJY-LBPRGKRZSA-N 1 0 218.344 2.424 10 0 BEAERO COc1cc(F)ccc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000049714378 132358141 /nfs/dbraw/zinc/35/81/41/132358141.db2.gz UKEZWTNXQKZPSY-ONGXEEELSA-N 1 0 238.306 2.008 10 0 BEAERO [NH3+]Cc1nc(N2CCCCC2)ccc1Cl ZINC000051396455 132360209 /nfs/dbraw/zinc/36/02/09/132360209.db2.gz XQIMGXXJRHMTQL-UHFFFAOYSA-N 1 0 225.723 2.184 10 0 BEAERO C[NH2+]Cc1ccnc(N2CCCC[C@@H]2C)c1 ZINC000051399383 132360586 /nfs/dbraw/zinc/36/05/86/132360586.db2.gz QUKWDVAMMNTDEX-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO CCC1CCN(c2cc(C[NH2+]C)ccn2)CC1 ZINC000051520526 132361208 /nfs/dbraw/zinc/36/12/08/132361208.db2.gz PQZNCXROTGXRIY-UHFFFAOYSA-N 1 0 233.359 2.427 10 0 BEAERO C[C@H]1COCCN1c1ccc(Cl)cc1C[NH3+] ZINC000052856750 132362638 /nfs/dbraw/zinc/36/26/38/132362638.db2.gz RXPCKSGYMRZTCD-VIFPVBQESA-N 1 0 240.734 2.024 10 0 BEAERO CC(C)(C)[NH2+]C[C@@H]1CCCCN1c1cnccn1 ZINC000053700227 132363067 /nfs/dbraw/zinc/36/30/67/132363067.db2.gz QQDVZNYRXGAAPU-LBPRGKRZSA-N 1 0 248.374 2.224 10 0 BEAERO Cc1nccc(N2CCCC[C@H]2C[NH2+]C(C)C)n1 ZINC000054937618 132365092 /nfs/dbraw/zinc/36/50/92/132365092.db2.gz HXUQTVVPEBJRHN-ZDUSSCGKSA-N 1 0 248.374 2.142 10 0 BEAERO CC[C@@H]([NH3+])Cc1cc(C)nc(N2CCCCC2)n1 ZINC000054836052 132365148 /nfs/dbraw/zinc/36/51/48/132365148.db2.gz DHXRLBHPEGSHMY-GFCCVEGCSA-N 1 0 248.374 2.055 10 0 BEAERO CC[C@H](C)[NH+]1CCN(c2ccc(CO)cc2)CC1 ZINC000055067961 132365259 /nfs/dbraw/zinc/36/52/59/132365259.db2.gz YHQRJVNIEBMUPQ-ZDUSSCGKSA-N 1 0 248.370 2.099 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCN(c2ccnc(C)n2)C1 ZINC000054937643 132365318 /nfs/dbraw/zinc/36/53/18/132365318.db2.gz TTYJOULXTAHZTE-ZDUSSCGKSA-N 1 0 248.374 2.001 10 0 BEAERO C[C@@H]1COCCN1c1cc(Cl)ccc1C[NH3+] ZINC000062786801 132388790 /nfs/dbraw/zinc/38/87/90/132388790.db2.gz CMEJYXRHWLPVOB-SECBINFHSA-N 1 0 240.734 2.024 10 0 BEAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000062806429 132388802 /nfs/dbraw/zinc/38/88/02/132388802.db2.gz XVVXYBZFBHEEEW-DDHOLCJHSA-N 1 0 244.338 2.251 10 0 BEAERO CCC1(CC)CCN(c2ccc(C[NH3+])nn2)CC1 ZINC000062957685 132388882 /nfs/dbraw/zinc/38/88/82/132388882.db2.gz HENKQPCDKRLSOX-UHFFFAOYSA-N 1 0 248.374 2.342 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cnccc2C)[C@H](C)C1 ZINC000071414007 132391733 /nfs/dbraw/zinc/39/17/33/132391733.db2.gz CBCUDBSDPIFHMV-CHWSQXEVSA-N 1 0 233.359 2.357 10 0 BEAERO Cc1cccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c1C ZINC000071520948 132392986 /nfs/dbraw/zinc/39/29/86/132392986.db2.gz BZQKLSWQYMEVOD-NEPJUHHUSA-N 1 0 218.344 2.490 10 0 BEAERO Cc1ccc(C)c(N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000071520910 132393048 /nfs/dbraw/zinc/39/30/48/132393048.db2.gz GZYDHSFOOZVAHE-OLZOCXBDSA-N 1 0 218.344 2.490 10 0 BEAERO [NH3+][C@H]1CC[C@@H](N2CCCc3ccccc32)C1 ZINC000071519876 132393102 /nfs/dbraw/zinc/39/31/02/132393102.db2.gz VIRUXAGBGZADNB-QWHCGFSZSA-N 1 0 216.328 2.319 10 0 BEAERO C[C@@H]1CN(c2ccc(F)cc2F)[C@@H](C)C[NH2+]1 ZINC000071532801 132394010 /nfs/dbraw/zinc/39/40/10/132394010.db2.gz NCOLLMFYEJVOME-BDAKNGLRSA-N 1 0 226.270 2.151 10 0 BEAERO CCN(CC)c1ccc(N2CC[NH2+][C@@H](C)C2)cc1 ZINC000071562501 132394845 /nfs/dbraw/zinc/39/48/45/132394845.db2.gz AJEFCNMKAWGPGD-ZDUSSCGKSA-N 1 0 247.386 2.331 10 0 BEAERO CC[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000083059674 132419308 /nfs/dbraw/zinc/41/93/08/132419308.db2.gz LWEBYJXFRHGCSS-LLVKDONJSA-N 1 0 208.280 2.014 10 0 BEAERO CC(C)[C@H]1CN(c2ccccc2F)CC[NH2+]1 ZINC000083059709 132419465 /nfs/dbraw/zinc/41/94/65/132419465.db2.gz WPXPAYSZJAKTTK-GFCCVEGCSA-N 1 0 222.307 2.260 10 0 BEAERO CC[C@H]1CN(c2ccccn2)[C@@H](CC)C[NH2+]1 ZINC000083117970 132421278 /nfs/dbraw/zinc/42/12/78/132421278.db2.gz ZAHPXYLRTYOMDC-RYUDHWBXSA-N 1 0 219.332 2.048 10 0 BEAERO COc1cc(F)ccc1N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000083366170 132423787 /nfs/dbraw/zinc/42/37/87/132423787.db2.gz AGWZLWQIMFNNOF-NXEZZACHSA-N 1 0 238.306 2.021 10 0 BEAERO C[C@@H]1Cc2ccccc2N([C@@H](C[NH3+])C2CC2)C1 ZINC000103981424 132433698 /nfs/dbraw/zinc/43/36/98/132433698.db2.gz NSHVWVNKNCDAEK-ABAIWWIYSA-N 1 0 230.355 2.423 10 0 BEAERO C[C@@H]1Cc2ccccc2N(C(=[NH2+])NC2CC2)C1 ZINC000110917252 132438159 /nfs/dbraw/zinc/43/81/59/132438159.db2.gz IXPAGHRLDJVCRX-SNVBAGLBSA-N 1 0 229.327 2.372 10 0 BEAERO CC[C@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000181124341 132447236 /nfs/dbraw/zinc/44/72/36/132447236.db2.gz PJEYCELSAPLFIZ-QWHCGFSZSA-N 1 0 248.374 2.176 10 0 BEAERO O=C(CC1CC1)Nc1cccc2c1C[NH2+]CC2 ZINC000167389723 133969539 /nfs/dbraw/zinc/96/95/39/133969539.db2.gz PCVNPYMIYXTDSQ-UHFFFAOYSA-N 1 0 230.311 2.071 10 0 BEAERO CC(C)CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000335990065 134039737 /nfs/dbraw/zinc/03/97/37/134039737.db2.gz FTUCMFIANYBWCW-CHWSQXEVSA-N 1 0 238.375 2.118 10 0 BEAERO C[C@H]1C[N@H+](CC[C@H]2CCCCO2)CCS1 ZINC000336001768 134047663 /nfs/dbraw/zinc/04/76/63/134047663.db2.gz DIWOJHANHKHECE-NWDGAFQWSA-N 1 0 229.389 2.383 10 0 BEAERO C[NH+](C)C1CCN(C[C@H]2CCCC2(F)F)CC1 ZINC000336192234 134123985 /nfs/dbraw/zinc/12/39/85/134123985.db2.gz HOYXCIQAECRVHL-LLVKDONJSA-N 1 0 246.345 2.448 10 0 BEAERO COCC(C)(C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000167918770 134154630 /nfs/dbraw/zinc/15/46/30/134154630.db2.gz YFXOVWSGYGOFCX-UHFFFAOYSA-N 1 0 233.315 2.308 10 0 BEAERO CC(C)(C)[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000216976095 134187678 /nfs/dbraw/zinc/18/76/78/134187678.db2.gz XZTVKXLLPWCRJM-JHJVBQTASA-N 1 0 241.375 2.037 10 0 BEAERO CCc1nnc(CN2CCC3(CCCC3)C2)n1C ZINC000174263513 134280285 /nfs/dbraw/zinc/28/02/85/134280285.db2.gz OAZOLTAVIOQSKV-UHFFFAOYSA-N 1 0 248.374 2.144 10 0 BEAERO Cc1ccc(N2CCC([NH2+]C(C)C)CC2)nc1 ZINC000174723288 134283091 /nfs/dbraw/zinc/28/30/91/134283091.db2.gz OPDHAVGALWCFSO-UHFFFAOYSA-N 1 0 233.359 2.357 10 0 BEAERO C[C@@H]1C[NH+](CCN(C)c2ccccc2)C[C@@H](C)O1 ZINC000177225851 134295996 /nfs/dbraw/zinc/29/59/96/134295996.db2.gz XXWRXOFOYDZYFH-ZIAGYGMSSA-N 1 0 248.370 2.232 10 0 BEAERO O=C(NCC1CCCCCCC1)[C@H]1CC[NH2+]C1 ZINC000178441656 134306906 /nfs/dbraw/zinc/30/69/06/134306906.db2.gz IRXGRLQSCDYSKQ-ZDUSSCGKSA-N 1 0 238.375 2.073 10 0 BEAERO Cc1nc(C[C@@H]2CCC[N@H+](CC3CC3)C2)no1 ZINC000178316090 134308514 /nfs/dbraw/zinc/30/85/14/134308514.db2.gz JTVPILUQNARWBO-LBPRGKRZSA-N 1 0 235.331 2.043 10 0 BEAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)C1CCC1 ZINC000178355624 134308987 /nfs/dbraw/zinc/30/89/87/134308987.db2.gz GYKVMRYYZIQRBJ-VQISRLSMSA-N 1 0 231.339 2.423 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C1CCC1 ZINC000178415584 134310065 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134380146 /nfs/dbraw/zinc/38/01/46/134380146.db2.gz GQDRMGMLCNLDNG-UKRRQHHQSA-N 1 0 245.370 2.059 10 0 BEAERO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(C)n1CC ZINC000185596239 134382420 /nfs/dbraw/zinc/38/24/20/134382420.db2.gz ADJGEMJDIICIKG-CMPLNLGQSA-N 1 0 236.363 2.227 10 0 BEAERO C[C@@H](O)CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000227572576 134383438 /nfs/dbraw/zinc/38/34/38/134383438.db2.gz QCNPTNIGCZPCDU-ZWNOBZJWSA-N 1 0 235.327 2.130 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000227566396 134383474 /nfs/dbraw/zinc/38/34/74/134383474.db2.gz VMGXAHHCWBIBRJ-SNVBAGLBSA-N 1 0 241.281 2.169 10 0 BEAERO Cc1ccnc(N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000227738618 134385497 /nfs/dbraw/zinc/38/54/97/134385497.db2.gz BEYLRQADLUITCO-GFCCVEGCSA-N 1 0 221.348 2.200 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1[C@@H](C)CC[C@@H]1CC ZINC000227907826 134398708 /nfs/dbraw/zinc/39/87/08/134398708.db2.gz VKZSIMGZJSATSN-MELADBBJSA-N 1 0 243.391 2.427 10 0 BEAERO CCCn1ccc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000233448815 134563591 /nfs/dbraw/zinc/56/35/91/134563591.db2.gz DWEDCRYYZZXUIQ-ZDUSSCGKSA-N 1 0 236.359 2.414 10 0 BEAERO CCCn1ccc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000233448775 134563611 /nfs/dbraw/zinc/56/36/11/134563611.db2.gz DWEDCRYYZZXUIQ-CYBMUJFWSA-N 1 0 236.359 2.414 10 0 BEAERO CCCn1ccc(C[NH2+][C@H](CO)C(C)C)c1 ZINC000086122416 134589149 /nfs/dbraw/zinc/58/91/49/134589149.db2.gz DEJKJFXRHHIULI-CYBMUJFWSA-N 1 0 224.348 2.005 10 0 BEAERO COc1cc([C@H](C)[NH2+]C[C@@H](C)CO)ccc1F ZINC000212707719 134618869 /nfs/dbraw/zinc/61/88/69/134618869.db2.gz UDOUJCMGVHDHNU-ZJUUUORDSA-N 1 0 241.306 2.113 10 0 BEAERO CCCC(CCC)C(=O)NCCCCC[NH3+] ZINC000132893477 134668765 /nfs/dbraw/zinc/66/87/65/134668765.db2.gz HMQPUXLAXPVQGD-UHFFFAOYSA-N 1 0 228.380 2.448 10 0 BEAERO C[C@@H](CC[NH3+])Nc1ncccc1C(F)(F)F ZINC000134273252 134705584 /nfs/dbraw/zinc/70/55/84/134705584.db2.gz NJSBJHGGPLSSFP-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000246878786 134965198 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135069969 /nfs/dbraw/zinc/06/99/69/135069969.db2.gz BWFAZEYOXZEDDX-JHJVBQTASA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H](CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C(C)(C)C ZINC000251848190 135079001 /nfs/dbraw/zinc/07/90/01/135079001.db2.gz RDNMQVYIYNJKQW-QJPTWQEYSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000252711524 135099286 /nfs/dbraw/zinc/09/92/86/135099286.db2.gz JUMCKPLGWMCWGQ-NDBYEHHHSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000252711525 135099348 /nfs/dbraw/zinc/09/93/48/135099348.db2.gz JUMCKPLGWMCWGQ-VOAKCMCISA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSC1 ZINC000252713489 135100677 /nfs/dbraw/zinc/10/06/77/135100677.db2.gz PHYAQJACZFOLKE-SRVKXCTJSA-N 1 0 229.389 2.143 10 0 BEAERO CSC[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252738240 135105683 /nfs/dbraw/zinc/10/56/83/135105683.db2.gz FAPPWHRMHOTKCJ-LNFKQOIKSA-N 1 0 229.389 2.141 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCn1cccn1 ZINC000252764133 135108042 /nfs/dbraw/zinc/10/80/42/135108042.db2.gz HSRBXDVDEPONEJ-UPJWGTAASA-N 1 0 221.348 2.440 10 0 BEAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H](C)C(=O)OC ZINC000252873110 135115342 /nfs/dbraw/zinc/11/53/42/135115342.db2.gz VJGCYUKUFFCIQP-NWDGAFQWSA-N 1 0 227.348 2.450 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000252948209 135117707 /nfs/dbraw/zinc/11/77/07/135117707.db2.gz AYGWJNLOXCBQPV-XJFOESAGSA-N 1 0 222.376 2.201 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CC1 ZINC000253097595 135121064 /nfs/dbraw/zinc/12/10/64/135121064.db2.gz RUGNOGCTQBZGMN-MGPQQGTHSA-N 1 0 223.360 2.412 10 0 BEAERO COC(=O)[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000253102055 135122462 /nfs/dbraw/zinc/12/24/62/135122462.db2.gz RCCRCTCLNPZAPM-WRWGMCAJSA-N 1 0 227.348 2.162 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ccncc1Cl ZINC000087362264 135126535 /nfs/dbraw/zinc/12/65/35/135126535.db2.gz AWTXASVBTRKYCR-MRVPVSSYSA-N 1 0 213.712 2.274 10 0 BEAERO CCCc1nsc(N[C@H](C)CCC[NH3+])n1 ZINC000087362312 135126982 /nfs/dbraw/zinc/12/69/82/135126982.db2.gz LQJWDVFXFZTMGU-MRVPVSSYSA-N 1 0 228.365 2.030 10 0 BEAERO CN(C(=O)C1C[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000258679353 135133348 /nfs/dbraw/zinc/13/33/48/135133348.db2.gz JBZSGDSWIISTRL-UHFFFAOYSA-N 1 0 246.354 2.166 10 0 BEAERO CC1(C)CN(Cc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000258935366 135136045 /nfs/dbraw/zinc/13/60/45/135136045.db2.gz XRSYCFCDVDILGD-CYBMUJFWSA-N 1 0 236.334 2.385 10 0 BEAERO CC1(C)CN(C(=O)C2CCCCC2)CC[C@H]1[NH3+] ZINC000259115068 135137034 /nfs/dbraw/zinc/13/70/34/135137034.db2.gz KYAUJABUXPQQOZ-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1C[NH2+]CCN1C[C@@H]1CCCC(F)(F)C1 ZINC000261533091 135164161 /nfs/dbraw/zinc/16/41/61/135164161.db2.gz MCVXOAYSZMDWRJ-WDEREUQCSA-N 1 0 232.318 2.106 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000261533096 135164492 /nfs/dbraw/zinc/16/44/92/135164492.db2.gz POCLCQHUOQZLOT-GHMZBOCLSA-N 1 0 232.318 2.106 10 0 BEAERO NC[C@@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261533073 135164539 /nfs/dbraw/zinc/16/45/39/135164539.db2.gz FSBRYYUMRHERDW-QWRGUYRKSA-N 1 0 232.318 2.235 10 0 BEAERO C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538261 135175226 /nfs/dbraw/zinc/17/52/26/135175226.db2.gz UNHYWDSVERHZFX-VXGBXAGGSA-N 1 0 246.345 2.483 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)C[C@H](C)[NH2+]1 ZINC000261538117 135175637 /nfs/dbraw/zinc/17/56/37/135175637.db2.gz DFNKFYDJYVFGOP-TUAOUCFPSA-N 1 0 246.345 2.494 10 0 BEAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000261543658 135184715 /nfs/dbraw/zinc/18/47/15/135184715.db2.gz DDPCMJAFYJYABG-WCQYABFASA-N 1 0 238.375 2.214 10 0 BEAERO CCc1cccc(C)c1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163796354 135190918 /nfs/dbraw/zinc/19/09/18/135190918.db2.gz DNZVLUNOCYKWDF-LLVKDONJSA-N 1 0 246.354 2.351 10 0 BEAERO [NH3+]C1CCC(Nc2nccnc2C(F)F)CC1 ZINC000261561113 135201595 /nfs/dbraw/zinc/20/15/95/135201595.db2.gz VCXGKXAMLOXLCD-UHFFFAOYSA-N 1 0 242.273 2.096 10 0 BEAERO CCN(C(=O)[C@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000163839239 135208577 /nfs/dbraw/zinc/20/85/77/135208577.db2.gz APSPICMKZXDDKA-LLVKDONJSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H](c1cccnc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567045 135209484 /nfs/dbraw/zinc/20/94/84/135209484.db2.gz ZLBSUPRUOSSGTN-AAEUAGOBSA-N 1 0 233.359 2.202 10 0 BEAERO C[C@H](CC(=O)N1CC[C@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000261580307 135221177 /nfs/dbraw/zinc/22/11/77/135221177.db2.gz MXQDLBPHZHXGPA-MXWKQRLJSA-N 1 0 226.364 2.007 10 0 BEAERO Cc1ccc2c(c1)CCN2C[C@H]1CCC[NH2+]C1 ZINC000261772260 135252007 /nfs/dbraw/zinc/25/20/07/135252007.db2.gz DUOCEEHWHCEVGQ-ZDUSSCGKSA-N 1 0 230.355 2.357 10 0 BEAERO Cc1cc([C@H](C)NC(=O)C[C@@H](C)[NH3+])ccc1F ZINC000261867827 135257775 /nfs/dbraw/zinc/25/77/75/135257775.db2.gz QICLDPADBLEKHT-ZJUUUORDSA-N 1 0 238.306 2.049 10 0 BEAERO CC(C)N(C(=O)[C@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000262221940 135285163 /nfs/dbraw/zinc/28/51/63/135285163.db2.gz PGCBFWABYADUTG-LLVKDONJSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)c1cncc(F)c1 ZINC000268898156 135364044 /nfs/dbraw/zinc/36/40/44/135364044.db2.gz BYWDKQONGMCVIE-OPQQBVKSSA-N 1 0 238.306 2.032 10 0 BEAERO CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164493093 135378747 /nfs/dbraw/zinc/37/87/47/135378747.db2.gz QCPSOWWFXIGLOT-FZMZJTMJSA-N 1 0 246.354 2.109 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000082920271 135442239 /nfs/dbraw/zinc/44/22/39/135442239.db2.gz WKYSUGSNQNEPNM-NWDGAFQWSA-N 1 0 218.300 2.061 10 0 BEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000085357726 135482187 /nfs/dbraw/zinc/48/21/87/135482187.db2.gz ATUJQZDSECDTNI-MWLCHTKSSA-N 1 0 236.290 2.200 10 0 BEAERO Cc1cccc(N(C)C(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085373553 135482596 /nfs/dbraw/zinc/48/25/96/135482596.db2.gz VWXWGCKADBUDRK-QWHCGFSZSA-N 1 0 232.327 2.085 10 0 BEAERO CC1CCC(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085375182 135482884 /nfs/dbraw/zinc/48/28/84/135482884.db2.gz YPEXJMZXNJUPMM-FIYWTHMPSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085376152 135483862 /nfs/dbraw/zinc/48/38/62/135483862.db2.gz DRLQIJABHVXHSQ-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1cc(C)ccn1 ZINC000087780047 135512542 /nfs/dbraw/zinc/51/25/42/135512542.db2.gz BPCJXOBBGWDMKL-NSHDSACASA-N 1 0 207.321 2.319 10 0 BEAERO C[C@H](N[C@H]1CC[C@H]([NH+](C)C)C1)c1ccco1 ZINC000090968123 135556575 /nfs/dbraw/zinc/55/65/75/135556575.db2.gz IPOXUOZTSRRLTI-SRVKXCTJSA-N 1 0 222.332 2.413 10 0 BEAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)C1 ZINC000094648140 135616258 /nfs/dbraw/zinc/61/62/58/135616258.db2.gz RUWRVFWAUKFPRJ-FDYHWXHSSA-N 1 0 238.375 2.022 10 0 BEAERO c1cc2c(ccnc2N2CCC3(CC[NH2+]3)CC2)o1 ZINC000335017832 135878158 /nfs/dbraw/zinc/87/81/58/135878158.db2.gz NXGMIDAQEDGWKJ-UHFFFAOYSA-N 1 0 243.310 2.160 10 0 BEAERO CC(C)c1cnc(N2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000335294151 136005560 /nfs/dbraw/zinc/00/55/60/136005560.db2.gz AGBIHFJDXSZGGE-ZJUUUORDSA-N 1 0 239.388 2.440 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]C2CCC(O)CC2)C[C@H](C)O1 ZINC000335312157 136030150 /nfs/dbraw/zinc/03/01/50/136030150.db2.gz DCQWBXREWFDDNQ-NSQMUIRCSA-N 1 0 241.375 2.083 10 0 BEAERO C[C@@H]1C[C@@H]([N@@H+]2CCSC(C)(C)C2)CCO1 ZINC000335387709 136089477 /nfs/dbraw/zinc/08/94/77/136089477.db2.gz RYIPMPVJBSHAHJ-MNOVXSKESA-N 1 0 229.389 2.381 10 0 BEAERO C[N@H+](C[C@@H]1CC=CCC1)[C@H]1CCC[C@H]1O ZINC000348545385 136096260 /nfs/dbraw/zinc/09/62/60/136096260.db2.gz CMSNUXTYYUNBLY-FRRDWIJNSA-N 1 0 209.333 2.188 10 0 BEAERO C[C@H]1[C@H](O)CCCN1Cc1ccncc1Cl ZINC000335595385 136104612 /nfs/dbraw/zinc/10/46/12/136104612.db2.gz BUVRIYLMYXQJFM-JOYOIKCWSA-N 1 0 240.734 2.080 10 0 BEAERO CC(C)CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000062098617 1172738809 /nfs/dbraw/zinc/73/88/09/1172738809.db2.gz ZMFLQLQLINMZTP-NWDGAFQWSA-N 1 0 226.364 2.056 10 0 BEAERO CC1(C)CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094327739 487528639 /nfs/dbraw/zinc/52/86/39/487528639.db2.gz LVDNQWWJTBWOCM-UTUOFQBUSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@@]([NH3+])(CO)c1ccc(Br)cc1 ZINC000038124481 171192954 /nfs/dbraw/zinc/19/29/54/171192954.db2.gz WWWDROQXYZNWQV-SNVBAGLBSA-N 1 0 244.132 2.005 10 0 BEAERO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000164623106 397795034 /nfs/dbraw/zinc/79/50/34/397795034.db2.gz MZCHSZXNHIHNNQ-NWDGAFQWSA-N 1 0 223.316 2.229 10 0 BEAERO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000164622881 397795088 /nfs/dbraw/zinc/79/50/88/397795088.db2.gz MZCHSZXNHIHNNQ-VXGBXAGGSA-N 1 0 223.316 2.229 10 0 BEAERO C[C@@H](CC[NH2+]CCC(C)(C)C)[S@](C)=O ZINC000119209401 397882983 /nfs/dbraw/zinc/88/29/83/397882983.db2.gz WZJWNBDWIMBOPE-IINYFYTJSA-N 1 0 219.394 2.169 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2ccc(CCO)cc2)CC1 ZINC000616686225 397927283 /nfs/dbraw/zinc/92/72/83/397927283.db2.gz GZECFHPKMZILAG-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(N)c(F)c1 ZINC000020550859 397966591 /nfs/dbraw/zinc/96/65/91/397966591.db2.gz ZXIYVLSDDBRGRI-MWLCHTKSSA-N 1 0 238.306 2.238 10 0 BEAERO [NH3+]CCNc1cccc(Br)c1Cl ZINC000575479673 397959637 /nfs/dbraw/zinc/95/96/37/397959637.db2.gz HUVBYHVHJVIDTN-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO C[N@@H+]1CCO[C@H](c2cc3ccccc3nn2)CC1 ZINC000616686375 397926852 /nfs/dbraw/zinc/92/68/52/397926852.db2.gz IXFVATUFMPBXAH-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC1(C)C[C@@]1([NH3+])c1ccc(Br)cn1 ZINC000575592502 397992114 /nfs/dbraw/zinc/99/21/14/397992114.db2.gz VIDLPJNULYYWDN-SNVBAGLBSA-N 1 0 241.132 2.428 10 0 BEAERO C[C@@H]1CCC[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000383871785 398046869 /nfs/dbraw/zinc/04/68/69/398046869.db2.gz HXNNPKXASTWRBZ-GHMZBOCLSA-N 1 0 236.363 2.298 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000383266745 398013483 /nfs/dbraw/zinc/01/34/83/398013483.db2.gz ITWAJVFJHXSFKS-OLZOCXBDSA-N 1 0 240.391 2.256 10 0 BEAERO CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC[C@@H](O)C1 ZINC000383438734 398020336 /nfs/dbraw/zinc/02/03/36/398020336.db2.gz DEFSANGDOVJMOX-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@H]1CCCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037626145 398023778 /nfs/dbraw/zinc/02/37/78/398023778.db2.gz FOJNSMAHLOHLBE-BPCQOVAHSA-N 1 0 238.375 2.295 10 0 BEAERO CC(C)OC1CC([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000186552790 398068536 /nfs/dbraw/zinc/06/85/36/398068536.db2.gz HWRYFCFZGAUASQ-IKWCTNDRSA-N 1 0 227.348 2.100 10 0 BEAERO C[C@H](C[N@@H+]1CCCC[C@H]1CN)C(C)(C)C ZINC000389309830 398072824 /nfs/dbraw/zinc/07/28/24/398072824.db2.gz BIOPJRQWROLBEC-NEPJUHHUSA-N 1 0 212.381 2.482 10 0 BEAERO OC[C@@H]1[C@H]2CC[C@H](C2)[N@@H+]1Cc1ccccc1 ZINC000584624840 398079454 /nfs/dbraw/zinc/07/94/54/398079454.db2.gz BJZCYPSEEBNGLR-BFHYXJOUSA-N 1 0 217.312 2.032 10 0 BEAERO C[N@@H+]1CCC[C@@H](COC(=O)c2cccs2)C1 ZINC000584659809 398083244 /nfs/dbraw/zinc/08/32/44/398083244.db2.gz XTLQCXVJLZYRCJ-SNVBAGLBSA-N 1 0 239.340 2.247 10 0 BEAERO Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC1)CN2 ZINC000211929575 398051110 /nfs/dbraw/zinc/05/11/10/398051110.db2.gz LZHAJMFUXAYGBP-LBPRGKRZSA-N 1 0 206.264 2.292 10 0 BEAERO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000185175783 398057636 /nfs/dbraw/zinc/05/76/36/398057636.db2.gz LTROWPRCNIONNK-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C(C)C ZINC000107248422 322862239 /nfs/dbraw/zinc/86/22/39/322862239.db2.gz JEKWCCDGPQSJIP-MNOVXSKESA-N 1 0 213.321 2.106 10 0 BEAERO CC(C)(C)OC[C@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000649807259 398114168 /nfs/dbraw/zinc/11/41/68/398114168.db2.gz PBNVUUITOALXNO-GFCCVEGCSA-N 1 0 241.375 2.085 10 0 BEAERO CNC(=[NH2+])c1cc(F)ccc1Br ZINC000234350713 398124320 /nfs/dbraw/zinc/12/43/20/398124320.db2.gz UDDZNHZXJLTEDY-UHFFFAOYSA-N 1 0 231.068 2.133 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389712728 398127314 /nfs/dbraw/zinc/12/73/14/398127314.db2.gz XOJPGCWEIOOOKL-GXFFZTMASA-N 1 0 248.374 2.318 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc(OC)s1 ZINC000389738860 398131390 /nfs/dbraw/zinc/13/13/90/398131390.db2.gz VFNILYXJJLULSH-WCBMZHEXSA-N 1 0 226.345 2.430 10 0 BEAERO CC(C)C[NH2+]CCC(=O)c1ccc(F)c(N)c1 ZINC000098126420 167003819 /nfs/dbraw/zinc/00/38/19/167003819.db2.gz JDAYOITYEARXAI-UHFFFAOYSA-N 1 0 238.306 2.226 10 0 BEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000249328588 322870295 /nfs/dbraw/zinc/87/02/95/322870295.db2.gz OGHIACMPDPRSPV-QJPTWQEYSA-N 1 0 228.380 2.314 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@H](C(F)(F)F)C1 ZINC000043500969 167105482 /nfs/dbraw/zinc/10/54/82/167105482.db2.gz SXAAVWKIGPFVQH-JTQLQIEISA-N 1 0 238.297 2.259 10 0 BEAERO CC(C)[NH2+]C[C@H]1C[C@@]1(C)c1ccccn1 ZINC000054594993 167117144 /nfs/dbraw/zinc/11/71/44/167117144.db2.gz LGVUEEFLQHUWCH-DGCLKSJQSA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]Cc1csc(N2CCCC2)n1 ZINC000062214898 167120380 /nfs/dbraw/zinc/12/03/80/167120380.db2.gz KPBNYKRMZPKVDX-UHFFFAOYSA-N 1 0 225.361 2.241 10 0 BEAERO CC(C)[NH2+]Cc1nc2c(s1)CSCC2 ZINC000053295588 167120812 /nfs/dbraw/zinc/12/08/12/167120812.db2.gz DMTWEUYXFAWMMA-UHFFFAOYSA-N 1 0 228.386 2.430 10 0 BEAERO CC(C)[NH2+][C@@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000037869254 167137450 /nfs/dbraw/zinc/13/74/50/167137450.db2.gz WESWTAKMNHLWGA-MFKMUULPSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[NH2+][C@H]1C[C@@H](CO)c2ccccc21 ZINC000309080310 167141519 /nfs/dbraw/zinc/14/15/19/167141519.db2.gz OOPDYVJNWQPZLR-GWCFXTLKSA-N 1 0 205.301 2.205 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@@H](C)C2CCC2)n1 ZINC000119644333 487558515 /nfs/dbraw/zinc/55/85/15/487558515.db2.gz IMSRAUCCAVLYDH-JTQLQIEISA-N 1 0 220.316 2.374 10 0 BEAERO Cc1c(C[NH2+][C@@H](C)C2CCC2)cnn1C ZINC000119650692 487559907 /nfs/dbraw/zinc/55/99/07/487559907.db2.gz JJCVHQHQEGBDFM-VIFPVBQESA-N 1 0 207.321 2.007 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000088041082 322886833 /nfs/dbraw/zinc/88/68/33/322886833.db2.gz VJNWMZJLTJKNKK-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000308860508 487565412 /nfs/dbraw/zinc/56/54/12/487565412.db2.gz VCQZYIGXMWTJGP-YNEHKIRRSA-N 1 0 211.349 2.412 10 0 BEAERO Cn1c2ccccc2nc1NC[C@@H]1CCCC[NH2+]1 ZINC000079047908 487568375 /nfs/dbraw/zinc/56/83/75/487568375.db2.gz MCTRUZPBFRISLY-NSHDSACASA-N 1 0 244.342 2.127 10 0 BEAERO Brc1scc2c1C[NH2+]CC2 ZINC000082368773 166109261 /nfs/dbraw/zinc/10/92/61/166109261.db2.gz YLGLXFFCQIMYQI-UHFFFAOYSA-N 1 0 218.119 2.156 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000308925942 487584435 /nfs/dbraw/zinc/58/44/35/487584435.db2.gz QAPVKQRZUKGWJH-MROQNXINSA-N 1 0 211.349 2.268 10 0 BEAERO c1coc(Cn2cnc3c2CCCC3)c1 ZINC000130481384 487585779 /nfs/dbraw/zinc/58/57/79/487585779.db2.gz GHUSQMOCJYITEZ-UHFFFAOYSA-N 1 0 202.257 2.403 10 0 BEAERO CCCC(C)(C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158779022 487586024 /nfs/dbraw/zinc/58/60/24/487586024.db2.gz TXRHEGQLFOYMHF-MNOVXSKESA-N 1 0 226.364 2.056 10 0 BEAERO COC1(C)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000393830003 487587321 /nfs/dbraw/zinc/58/73/21/487587321.db2.gz JGSDNYPMTPKKMK-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO COC1(C)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000393830010 487587418 /nfs/dbraw/zinc/58/74/18/487587418.db2.gz JGSDNYPMTPKKMK-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cccs1 ZINC000084447307 322913411 /nfs/dbraw/zinc/91/34/11/322913411.db2.gz AYXJUEPVWFSGDV-XNWIYYODSA-N 1 0 211.330 2.170 10 0 BEAERO COc1cc(C)ccc1[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658350113 487590638 /nfs/dbraw/zinc/59/06/38/487590638.db2.gz BEAAHXRQHNWPNN-HIFPTAJRSA-N 1 0 249.354 2.425 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000228194373 487596796 /nfs/dbraw/zinc/59/67/96/487596796.db2.gz DOJOXTBUNBXSJV-OSAQELSMSA-N 1 0 249.354 2.216 10 0 BEAERO CC(C)Oc1ccc(OC2CC2)cc1C[NH3+] ZINC000095737698 167297246 /nfs/dbraw/zinc/29/72/46/167297246.db2.gz KOFKQZRYUGEFIM-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)Oc1cccc2c1NC(=[NH2+])N[C@H]2C ZINC000029131437 167309119 /nfs/dbraw/zinc/30/91/19/167309119.db2.gz CWVMKYZWIKCBIY-QMMMGPOBSA-N 1 0 219.288 2.084 10 0 BEAERO C[C@H]1CC[C@@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000536955712 487604154 /nfs/dbraw/zinc/60/41/54/487604154.db2.gz RZCAQRCNUUELKD-JSGCOSHPSA-N 1 0 219.328 2.327 10 0 BEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000662340133 409650931 /nfs/dbraw/zinc/65/09/31/409650931.db2.gz UOWCVZWMHCRCLW-ZIAGYGMSSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCC1CCC1 ZINC000660833982 409813871 /nfs/dbraw/zinc/81/38/71/409813871.db2.gz WVMBTBKJWSUGRF-AAEUAGOBSA-N 1 0 211.349 2.412 10 0 BEAERO CCC[C@@H](C)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000053486353 487611306 /nfs/dbraw/zinc/61/13/06/487611306.db2.gz YLHSIIRRISDYRI-RQJABVFESA-N 1 0 242.407 2.262 10 0 BEAERO Cc1cc(C[NH2+]CC2(O)CCCCCC2)on1 ZINC000044991177 409871967 /nfs/dbraw/zinc/87/19/67/409871967.db2.gz PMLCIOMYNRYZJW-UHFFFAOYSA-N 1 0 238.331 2.158 10 0 BEAERO C[C@]1(CO)CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000558118150 409994621 /nfs/dbraw/zinc/99/46/21/409994621.db2.gz BHVRMZVHMVNMAT-UKRRQHHQSA-N 1 0 231.339 2.173 10 0 BEAERO C1CC1[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CO1 ZINC000668277380 487613135 /nfs/dbraw/zinc/61/31/35/487613135.db2.gz GEDIJFFXCLITPT-RKQHYHRCSA-N 1 0 221.344 2.332 10 0 BEAERO Brc1cc([C@H]2CCC[NH2+]C2)ccn1 ZINC000095827094 166095509 /nfs/dbraw/zinc/09/55/09/166095509.db2.gz WQSFPGUZWJARHM-VIFPVBQESA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000084193093 166098293 /nfs/dbraw/zinc/09/82/93/166098293.db2.gz PXDLICYHRQUBJE-SNVBAGLBSA-N 1 0 241.132 2.223 10 0 BEAERO Brc1ccc([C@@H]2CCC[NH2+]2)o1 ZINC000078747141 166098968 /nfs/dbraw/zinc/09/89/68/166098968.db2.gz XWVZZWQHZRGHLX-LURJTMIESA-N 1 0 216.078 2.467 10 0 BEAERO Brc1ccc([C@@H]2CCC[NH2+]C2)nc1 ZINC000095828444 166099510 /nfs/dbraw/zinc/09/95/10/166099510.db2.gz PIGROURKQOAHBJ-MRVPVSSYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1cn(-c2cc[nH+]cc2)cn1 ZINC000072193511 166104461 /nfs/dbraw/zinc/10/44/61/166104461.db2.gz PJXIRCBKCFIQDX-UHFFFAOYSA-N 1 0 224.061 2.030 10 0 BEAERO Brc1cnccc1[C@@H]1CCC[NH2+]1 ZINC000095935299 166106731 /nfs/dbraw/zinc/10/67/31/166106731.db2.gz VWPGNPBOZYYNOW-VIFPVBQESA-N 1 0 227.105 2.269 10 0 BEAERO Brc1cocc1[C@@H]1CC[NH2+]C1 ZINC000082370075 166107026 /nfs/dbraw/zinc/10/70/26/166107026.db2.gz NFSKBNWIWVPXLQ-ZCFIWIBFSA-N 1 0 216.078 2.119 10 0 BEAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)C(C)(C)C ZINC000133408694 410327378 /nfs/dbraw/zinc/32/73/78/410327378.db2.gz XEZZICAAJGFNHJ-KPPDAEKUSA-N 1 0 226.364 2.055 10 0 BEAERO c1cc2cccc(CN[C@H]3CC[NH2+]C3)c2s1 ZINC000650740571 410374892 /nfs/dbraw/zinc/37/48/92/410374892.db2.gz MWBKJTSAJDDFJG-LBPRGKRZSA-N 1 0 232.352 2.353 10 0 BEAERO CCCc1nccnc1NC[C@@H](C)C[NH+](C)C ZINC000663930835 410384631 /nfs/dbraw/zinc/38/46/31/410384631.db2.gz DVYGOGRYEDNVOB-LLVKDONJSA-N 1 0 236.363 2.039 10 0 BEAERO CCN(CC)C(=O)[C@H](CC[NH3+])c1ccccc1C ZINC000076634169 169758281 /nfs/dbraw/zinc/75/82/81/169758281.db2.gz NHMRJQCEEAKWRZ-CQSZACIVSA-N 1 0 248.370 2.296 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000120304125 410623733 /nfs/dbraw/zinc/62/37/33/410623733.db2.gz RSTQCYPEXASQJW-NOZJJQNGSA-N 1 0 241.281 2.274 10 0 BEAERO CC[NH+](CC)CC(=O)NC/C=C/c1ccccc1 ZINC000112672009 169766229 /nfs/dbraw/zinc/76/62/29/169766229.db2.gz QTVMKMUICBTEIQ-DHZHZOJOSA-N 1 0 246.354 2.158 10 0 BEAERO CC(C)(C)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037882932 166633226 /nfs/dbraw/zinc/63/32/26/166633226.db2.gz MXNYWKMRZQJPOI-NSHDSACASA-N 1 0 229.270 2.386 10 0 BEAERO CC(C)(C)[NH2+]Cc1cnc(-c2ccccn2)[nH]1 ZINC000062821514 166635422 /nfs/dbraw/zinc/63/54/22/166635422.db2.gz ZFWKFCKJVJXUTD-UHFFFAOYSA-N 1 0 230.315 2.360 10 0 BEAERO CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]([NH3+])C1 ZINC000082048300 166658746 /nfs/dbraw/zinc/65/87/46/166658746.db2.gz UQVRIGBITJSZJX-GFCCVEGCSA-N 1 0 248.326 2.437 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H](Nc2cc[nH]n2)C1 ZINC000616628274 410734820 /nfs/dbraw/zinc/73/48/20/410734820.db2.gz MFGPHIBESSPKSP-NSHDSACASA-N 1 0 236.363 2.475 10 0 BEAERO CC(C)CCCNC(=O)[C@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000062098543 166811584 /nfs/dbraw/zinc/81/15/84/166811584.db2.gz MCZHRDVSZDVEOF-AVGNSLFASA-N 1 0 240.391 2.302 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)C[C@H]1[NH3+] ZINC000394497172 410803521 /nfs/dbraw/zinc/80/35/21/410803521.db2.gz INFLILMPIHKFKI-OUAUKWLOSA-N 1 0 232.318 2.091 10 0 BEAERO CC(C)CCNC(=O)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000049283909 166844795 /nfs/dbraw/zinc/84/47/95/166844795.db2.gz FVTILXSZFRZMFZ-OLZOCXBDSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]C1CCCCC1 ZINC000034938499 166851065 /nfs/dbraw/zinc/85/10/65/166851065.db2.gz ZRSGVZIBEIBIPW-GFCCVEGCSA-N 1 0 240.391 2.460 10 0 BEAERO CC(C)CCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019507182 166852784 /nfs/dbraw/zinc/85/27/84/166852784.db2.gz KLBCDQKNHCNNMB-FRRDWIJNSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)CC[C@@H](C)[NH2+]CCn1ccccc1=O ZINC000053500503 166892133 /nfs/dbraw/zinc/89/21/33/166892133.db2.gz WLCDAYCSZQPNND-CYBMUJFWSA-N 1 0 236.359 2.263 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C(C)C ZINC000395870750 410866382 /nfs/dbraw/zinc/86/63/82/410866382.db2.gz YHRZVEKSFTYPAO-QWHCGFSZSA-N 1 0 240.391 2.397 10 0 BEAERO Cc1cnc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000394727949 410818756 /nfs/dbraw/zinc/81/87/56/410818756.db2.gz LBHGLUVRWJAKAS-JTQLQIEISA-N 1 0 226.345 2.110 10 0 BEAERO CC(C)[C@H]([NH2+][C@@H]1CCCN[C@H]1C)C1CC1 ZINC000396654767 410893854 /nfs/dbraw/zinc/89/38/54/410893854.db2.gz FNPKIMXVFVSYEY-UHTWSYAYSA-N 1 0 210.365 2.151 10 0 BEAERO CC(C)C[NH2+]CC[C@H](O)c1ccc(F)cc1 ZINC000049820133 167004267 /nfs/dbraw/zinc/00/42/67/167004267.db2.gz VAGVVWNWJPQBPH-ZDUSSCGKSA-N 1 0 225.307 2.495 10 0 BEAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000054598363 167006073 /nfs/dbraw/zinc/00/60/73/167006073.db2.gz HUYPYXPHRISBNZ-STQMWFEESA-N 1 0 211.349 2.295 10 0 BEAERO CC(C)C[NH2+]C[C@H](C)OCCc1ccccn1 ZINC000052633680 167006246 /nfs/dbraw/zinc/00/62/46/167006246.db2.gz LKHCONCSFMEFEH-ZDUSSCGKSA-N 1 0 236.359 2.275 10 0 BEAERO CC(C)C[NH2+]Cc1nc2c(cccc2F)[nH]1 ZINC000062742468 167009630 /nfs/dbraw/zinc/00/96/30/167009630.db2.gz IZMXJUTYWBPCIQ-UHFFFAOYSA-N 1 0 221.279 2.448 10 0 BEAERO CC(C)C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000020245921 167009819 /nfs/dbraw/zinc/00/98/19/167009819.db2.gz YVLGFLZTHVHVJP-UHFFFAOYSA-N 1 0 230.315 2.013 10 0 BEAERO CC(C)C[NH2+][C@@](C)(CCc1ccccc1)C(N)=O ZINC000037946233 167012019 /nfs/dbraw/zinc/01/20/19/167012019.db2.gz YLNZPXYJLFSWOB-HNNXBMFYSA-N 1 0 248.370 2.109 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309330724 167027680 /nfs/dbraw/zinc/02/76/80/167027680.db2.gz HSQMEUJGSITHIQ-UPJWGTAASA-N 1 0 242.432 2.058 10 0 BEAERO CC(C)[NH2+]CC(=O)c1ccc(F)cc1F ZINC000082533758 167098123 /nfs/dbraw/zinc/09/81/23/167098123.db2.gz JSOKGBGAEGIBGE-UHFFFAOYSA-N 1 0 213.227 2.146 10 0 BEAERO CC(C)[NH2+]CC1(S(C)(=O)=O)CCCCCC1 ZINC000053737745 167098951 /nfs/dbraw/zinc/09/89/51/167098951.db2.gz INPZJNHWNRPLFZ-UHFFFAOYSA-N 1 0 247.404 2.122 10 0 BEAERO CC(C)[NH2+]CCC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819601 167100719 /nfs/dbraw/zinc/10/07/19/167100719.db2.gz RSCCLAWBEXWTFL-ZDUSSCGKSA-N 1 0 249.358 2.066 10 0 BEAERO CC(C)[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1CCCO1 ZINC000052540782 167108790 /nfs/dbraw/zinc/10/87/90/167108790.db2.gz YQWCJHSAACLVDY-KBPBESRZSA-N 1 0 242.407 2.120 10 0 BEAERO CC(C)[NH2+]CC[S@](=O)c1ccc(Cl)cc1 ZINC000034114845 167108922 /nfs/dbraw/zinc/10/89/22/167108922.db2.gz QGRDKWCJVRKQCC-OAHLLOKOSA-N 1 0 245.775 2.446 10 0 BEAERO CC(C)[NH2+]CC[S@@](=O)c1ccc(Cl)cc1 ZINC000034114844 167109100 /nfs/dbraw/zinc/10/91/00/167109100.db2.gz QGRDKWCJVRKQCC-HNNXBMFYSA-N 1 0 245.775 2.446 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)c1ccc2c(c1)CCC2 ZINC000049817379 167110778 /nfs/dbraw/zinc/11/07/78/167110778.db2.gz XMXWCIXMGOIJJN-CQSZACIVSA-N 1 0 219.328 2.207 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)c1cc2ccc(O)cc2o1 ZINC000027705040 167111640 /nfs/dbraw/zinc/11/16/40/167111640.db2.gz XUUROKFQYSTAMU-LLVKDONJSA-N 1 0 235.283 2.170 10 0 BEAERO CC(C)[NH2+]C[C@H](C(C)C)N(C)C[C@@H]1CCCO1 ZINC000052540781 167113186 /nfs/dbraw/zinc/11/31/86/167113186.db2.gz YQWCJHSAACLVDY-UONOGXRCSA-N 1 0 242.407 2.120 10 0 BEAERO CC(C)[NH2+]C[C@H](O)c1cc2ccc(O)cc2o1 ZINC000027705045 167114447 /nfs/dbraw/zinc/11/44/47/167114447.db2.gz XUUROKFQYSTAMU-NSHDSACASA-N 1 0 235.283 2.170 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCN1C[C@@H]1CCCCO1 ZINC000053649027 167114816 /nfs/dbraw/zinc/11/48/16/167114816.db2.gz JAXUEZQMJGQIFW-KGLIPLIRSA-N 1 0 240.391 2.018 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCN([C@@H](C)c2cccnc2)C1 ZINC000053031107 167115237 /nfs/dbraw/zinc/11/52/37/167115237.db2.gz BBFJKLDVRISLMU-UONOGXRCSA-N 1 0 247.386 2.463 10 0 BEAERO CC(C)[NH2+]Cc1cnc(N2CC[C@H](C)C2)s1 ZINC000054905915 167121738 /nfs/dbraw/zinc/12/17/38/167121738.db2.gz DDWRMAZDFJSMKQ-JTQLQIEISA-N 1 0 239.388 2.487 10 0 BEAERO CC(C)[NH2+]Cc1cnc(-c2ccccn2)nc1 ZINC000054856021 167121755 /nfs/dbraw/zinc/12/17/55/167121755.db2.gz SGWDWUHLZJMOLN-UHFFFAOYSA-N 1 0 228.299 2.037 10 0 BEAERO CC(C)[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000038115731 167132319 /nfs/dbraw/zinc/13/23/19/167132319.db2.gz RBBLEUAKMZQCRY-NSHDSACASA-N 1 0 213.708 2.371 10 0 BEAERO CC(C)[NH2+][C@@H]1CCOc2cc3c(cc21)OCO3 ZINC000035654449 167134663 /nfs/dbraw/zinc/13/46/63/167134663.db2.gz RAVHKCDGVSHINJ-SNVBAGLBSA-N 1 0 235.283 2.237 10 0 BEAERO CC(C)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000125774549 167139858 /nfs/dbraw/zinc/13/98/58/167139858.db2.gz DUSNPKPAOYLQEO-JTQLQIEISA-N 1 0 239.750 2.312 10 0 BEAERO CC(C)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000152014638 167140759 /nfs/dbraw/zinc/14/07/59/167140759.db2.gz NVXPFFFEPDEPDQ-ZFWWWQNUSA-N 1 0 247.386 2.290 10 0 BEAERO CC(C)OC(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950625 167162138 /nfs/dbraw/zinc/16/21/38/167162138.db2.gz WFZNJWSVFPBCLR-UHFFFAOYSA-N 1 0 222.288 2.127 10 0 BEAERO CC[NH+](CC)CC[C@@H](N)c1cccs1 ZINC000020274134 169784244 /nfs/dbraw/zinc/78/42/44/169784244.db2.gz DZAUSWMIZKKSSV-SNVBAGLBSA-N 1 0 212.362 2.480 10 0 BEAERO CC(C)OCCO[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916583 167248288 /nfs/dbraw/zinc/24/82/88/167248288.db2.gz IJGILRVGQZHNHE-ZDUSSCGKSA-N 1 0 241.306 2.267 10 0 BEAERO CC(C)OCCO[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000019282833 167248966 /nfs/dbraw/zinc/24/89/66/167248966.db2.gz NKHKRQIQNKMOLD-KBPBESRZSA-N 1 0 235.327 2.053 10 0 BEAERO CC(C)Oc1cc2c(cc1C[C@@H](C)[NH3+])OCO2 ZINC000042878049 167288282 /nfs/dbraw/zinc/28/82/82/167288282.db2.gz FIWMXGLBNKJDNY-SECBINFHSA-N 1 0 237.299 2.092 10 0 BEAERO CC(C)Oc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000041260912 167291155 /nfs/dbraw/zinc/29/11/55/167291155.db2.gz NECDVAJNFOFUJL-ZDUSSCGKSA-N 1 0 233.311 2.409 10 0 BEAERO CC(C)Oc1ccc(C[NH2+][C@@H](C)CO)cc1F ZINC000098126654 167294945 /nfs/dbraw/zinc/29/49/45/167294945.db2.gz MEFOCOUPRRSILS-JTQLQIEISA-N 1 0 241.306 2.083 10 0 BEAERO CC(C)Oc1ccc(OC2CC2)c(C[NH3+])c1 ZINC000095737936 167297167 /nfs/dbraw/zinc/29/71/67/167297167.db2.gz BTFCNJSRWWWPJL-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)Oc1ccc([C@@H](C[NH3+])NC2CC2)cc1 ZINC000050271350 167298246 /nfs/dbraw/zinc/29/82/46/167298246.db2.gz JVZXIIALLYZHKM-CQSZACIVSA-N 1 0 234.343 2.226 10 0 BEAERO CC(C)Oc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000041266684 167298720 /nfs/dbraw/zinc/29/87/20/167298720.db2.gz JATBLUDWGSTAJU-UONOGXRCSA-N 1 0 235.327 2.259 10 0 BEAERO CC(C)Oc1ccccc1N1CC[NH2+][C@@H](C)C1 ZINC000077369617 167311508 /nfs/dbraw/zinc/31/15/08/167311508.db2.gz SFSATUNRGIYGJZ-LBPRGKRZSA-N 1 0 234.343 2.272 10 0 BEAERO CC(C)Oc1nc(C[NH3+])cc2ccccc21 ZINC000051526511 167312334 /nfs/dbraw/zinc/31/23/34/167312334.db2.gz VEQUBUNEQKDTOL-UHFFFAOYSA-N 1 0 216.284 2.481 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055128718 167363907 /nfs/dbraw/zinc/36/39/07/167363907.db2.gz YWXVVWRSJVEAJY-UPJWGTAASA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881641 167366254 /nfs/dbraw/zinc/36/62/54/167366254.db2.gz BISUSXXFRYKQFW-IUODEOHRSA-N 1 0 248.370 2.363 10 0 BEAERO CC(C)[C@@H](C)[N@H+](C)[C@]1(CN)CCCSC1 ZINC000061590055 167369086 /nfs/dbraw/zinc/36/90/86/167369086.db2.gz JPQOBCQEUOKLCO-NEPJUHHUSA-N 1 0 230.421 2.187 10 0 BEAERO CC(C)[C@@H](C)NC(=O)CCCCCC[NH3+] ZINC000020523462 167370174 /nfs/dbraw/zinc/37/01/74/167370174.db2.gz WSPZAWISGMFFBA-LLVKDONJSA-N 1 0 214.353 2.056 10 0 BEAERO CC(C)[C@@H](C)N(C)c1cc(C[NH3+])ccn1 ZINC000036786377 167370627 /nfs/dbraw/zinc/37/06/27/167370627.db2.gz BVZHHFPFPJJKNS-SNVBAGLBSA-N 1 0 207.321 2.021 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020523407 167382252 /nfs/dbraw/zinc/38/22/52/167382252.db2.gz HDZGGQVXIRZMTJ-SECBINFHSA-N 1 0 238.306 2.059 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000134623117 167383698 /nfs/dbraw/zinc/38/36/98/167383698.db2.gz XYQWFUITOHLRQQ-NWDGAFQWSA-N 1 0 209.337 2.296 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)Cc1ccco1 ZINC000062772001 167395859 /nfs/dbraw/zinc/39/58/59/167395859.db2.gz UHMDHZVSIAERTE-TZMCWYRMSA-N 1 0 238.375 2.386 10 0 BEAERO CC(C)[C@@H](C[NH3+])CC(=O)N[C@H](C)c1ccccc1 ZINC000076634397 167397230 /nfs/dbraw/zinc/39/72/30/167397230.db2.gz BVDUEWSVKCRHJI-TZMCWYRMSA-N 1 0 248.370 2.485 10 0 BEAERO C[C@@H]1C[NH+](C[C@H]2Cc3ccccc32)C[C@@H](C)C1O ZINC000661620068 411066648 /nfs/dbraw/zinc/06/66/48/411066648.db2.gz FZUBUMOKJFZFRD-YRGRVCCFSA-N 1 0 245.366 2.275 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)CCC(C)(C)C ZINC000399867611 411068123 /nfs/dbraw/zinc/06/81/23/411068123.db2.gz FGGJEDGHUISPLS-LLVKDONJSA-N 1 0 228.380 2.254 10 0 BEAERO CC[NH+](CC)[C@@H]1CCN(c2ccc(C)cc2N)C1 ZINC000062975859 169798083 /nfs/dbraw/zinc/79/80/83/169798083.db2.gz LKIIJILRIBPQAS-CYBMUJFWSA-N 1 0 247.386 2.498 10 0 BEAERO CC(C)c1ccc(C[C@@H]2C[NH2+]CC[C@H]2O)cc1 ZINC000071537095 167601289 /nfs/dbraw/zinc/60/12/89/167601289.db2.gz AJOUTTNJPUDTGY-HUUCEWRRSA-N 1 0 233.355 2.323 10 0 BEAERO CC[C@@]1(C)CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000399442759 411041202 /nfs/dbraw/zinc/04/12/02/411041202.db2.gz UTCLVSQZEDTWMB-YIZWMMSDSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]([NH2+]CCn1ccccc1=O)C1CCCC1 ZINC000211893118 411141182 /nfs/dbraw/zinc/14/11/82/411141182.db2.gz MMXYOWJZHOGKTK-GFCCVEGCSA-N 1 0 234.343 2.017 10 0 BEAERO CC(C)c1cnc(N2CCC([NH3+])CC2)s1 ZINC000335300981 167650277 /nfs/dbraw/zinc/65/02/77/167650277.db2.gz UBRIEVAIMVNSFF-UHFFFAOYSA-N 1 0 225.361 2.194 10 0 BEAERO CC1(NC(=O)C2CCC([NH3+])CC2)CCCCC1 ZINC000045046875 411143526 /nfs/dbraw/zinc/14/35/26/411143526.db2.gz YXWGLWWPOIUPHJ-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000651794219 411144059 /nfs/dbraw/zinc/14/40/59/411144059.db2.gz KZRLQRFICOZYNL-NDBYEHHHSA-N 1 0 238.375 2.212 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661691324 411154260 /nfs/dbraw/zinc/15/42/60/411154260.db2.gz UHUQOVYGKHSMOZ-NWDGAFQWSA-N 1 0 217.328 2.219 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657889756 411154289 /nfs/dbraw/zinc/15/42/89/411154289.db2.gz QBJYDYBFQCTKAM-XQQFMLRXSA-N 1 0 243.416 2.413 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657891209 411156343 /nfs/dbraw/zinc/15/63/43/411156343.db2.gz HABSVCARSNQARJ-IJLUTSLNSA-N 1 0 229.389 2.023 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1cc(CC)nc(C)n1 ZINC000130525221 411101745 /nfs/dbraw/zinc/10/17/45/411101745.db2.gz MFMIFCXXFSIMTG-GFCCVEGCSA-N 1 0 236.363 2.277 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CCO1 ZINC000300735182 411125885 /nfs/dbraw/zinc/12/58/85/411125885.db2.gz QKFSMLGURLVMMC-DGAVXFQQSA-N 1 0 241.375 2.085 10 0 BEAERO CCOC1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000657934508 411172532 /nfs/dbraw/zinc/17/25/32/411172532.db2.gz CLSAWKCTJIZGIM-YWPUVAFDSA-N 1 0 227.348 2.101 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000658353583 411244633 /nfs/dbraw/zinc/24/46/33/411244633.db2.gz PMEUCJRAGXSIFN-QUANKSPYSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)n1ncnc1C[NH2+][C@H](C)C1CCC1 ZINC000124027018 411194626 /nfs/dbraw/zinc/19/46/26/411194626.db2.gz DJGMCBIXCJQMEU-SNVBAGLBSA-N 1 0 222.336 2.137 10 0 BEAERO O=C(CCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000061919996 411200317 /nfs/dbraw/zinc/20/03/17/411200317.db2.gz KAJGQGSKRZRQJA-UHFFFAOYSA-N 1 0 247.338 2.372 10 0 BEAERO CC[NH+](CC)c1ccc(NCC(=O)OC)cc1 ZINC000062996299 169804313 /nfs/dbraw/zinc/80/43/13/169804313.db2.gz IVUVGLUKIHDFRW-UHFFFAOYSA-N 1 0 236.315 2.118 10 0 BEAERO CC(C)n1nccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000337202139 167794472 /nfs/dbraw/zinc/79/44/72/167794472.db2.gz GPCJYVNYSFHBCL-WCQYABFASA-N 1 0 237.347 2.121 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC(C)(C)C1 ZINC000129078846 411218062 /nfs/dbraw/zinc/21/80/62/411218062.db2.gz JJUMVAOFWHFWQD-NSHDSACASA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C1CCCC1 ZINC000129079737 411218678 /nfs/dbraw/zinc/21/86/78/411218678.db2.gz SILICNBMRVOSMC-JQWIXIFHSA-N 1 0 226.364 2.055 10 0 BEAERO CCC(CC)(CC)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129102529 411225415 /nfs/dbraw/zinc/22/54/15/411225415.db2.gz XEWKJSXKDBFYCN-LLVKDONJSA-N 1 0 228.380 2.445 10 0 BEAERO CO[C@](C)(CO)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000655785621 411228289 /nfs/dbraw/zinc/22/82/89/411228289.db2.gz LJLZTXVLRSUTHX-DYEKYZERSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000129111915 411230031 /nfs/dbraw/zinc/23/00/31/411230031.db2.gz UKDYKCXNFJNRIX-WOPDTQHZSA-N 1 0 226.364 2.007 10 0 BEAERO CC(F)(F)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000357702957 167816756 /nfs/dbraw/zinc/81/67/56/167816756.db2.gz CFNCKOKVRSPZPY-IVZWLZJFSA-N 1 0 233.302 2.435 10 0 BEAERO C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CCCC1(C)C ZINC000396724958 411240849 /nfs/dbraw/zinc/24/08/49/411240849.db2.gz VKNPJJZXFFWUFY-TUAOUCFPSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000396724955 411240882 /nfs/dbraw/zinc/24/08/82/411240882.db2.gz VKNPJJZXFFWUFY-QJPTWQEYSA-N 1 0 210.365 2.295 10 0 BEAERO c1ccc2nc(NCC[NH2+]C3CC3)ccc2c1 ZINC000054267894 411264261 /nfs/dbraw/zinc/26/42/61/411264261.db2.gz QKMMRUYSAUUKOE-UHFFFAOYSA-N 1 0 227.311 2.399 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]C2CC(CO)C2)[C@H](C)C1 ZINC000658358187 411286304 /nfs/dbraw/zinc/28/63/04/411286304.db2.gz YIANIQNULZZJDR-LQVBTDEGSA-N 1 0 211.349 2.172 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccnc(N)c1 ZINC000616585366 411292085 /nfs/dbraw/zinc/29/20/85/411292085.db2.gz PEBXOPYOIPCYEA-OAHLLOKOSA-N 1 0 239.322 2.071 10 0 BEAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])C1CCCC1 ZINC000069805801 411295680 /nfs/dbraw/zinc/29/56/80/411295680.db2.gz NBGPBJKREBUDCW-SNVBAGLBSA-N 1 0 226.364 2.199 10 0 BEAERO C[C@@]1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1(F)F ZINC000658220119 411299161 /nfs/dbraw/zinc/29/91/61/411299161.db2.gz PIBDNNOEQZYJKJ-BFLSOPEQSA-N 1 0 245.313 2.435 10 0 BEAERO CN(CC(C)(C)[NH3+])c1nc2ccccc2o1 ZINC000656609037 411307798 /nfs/dbraw/zinc/30/77/98/411307798.db2.gz JZGNFGSHDRENLR-UHFFFAOYSA-N 1 0 219.288 2.001 10 0 BEAERO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658241832 411308140 /nfs/dbraw/zinc/30/81/40/411308140.db2.gz OIHCOLHRLVPZPY-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO CCc1cc(NCC2([NH3+])CCCC2)nc(C)n1 ZINC000656610893 411308523 /nfs/dbraw/zinc/30/85/23/411308523.db2.gz UJBCUVLXZDYRHI-UHFFFAOYSA-N 1 0 234.347 2.031 10 0 BEAERO CCCc1nsc(NCC2([NH3+])CCCC2)n1 ZINC000656610857 411308693 /nfs/dbraw/zinc/30/86/93/411308693.db2.gz SGRBXVNBUOQIBO-UHFFFAOYSA-N 1 0 240.376 2.174 10 0 BEAERO Cc1nc2ccccc2nc1N(C)CC(C)(C)[NH3+] ZINC000656609642 411308979 /nfs/dbraw/zinc/30/89/79/411308979.db2.gz RPGFXSZYDOWPFO-UHFFFAOYSA-N 1 0 244.342 2.112 10 0 BEAERO CCC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658242197 411309475 /nfs/dbraw/zinc/30/94/75/411309475.db2.gz PQYVKYDTCDYLQK-WCQYABFASA-N 1 0 238.375 2.023 10 0 BEAERO CCC[NH+](CCC)CC1(O)CCSCC1 ZINC000656692433 411331802 /nfs/dbraw/zinc/33/18/02/411331802.db2.gz XTLPZXVDTCASFH-UHFFFAOYSA-N 1 0 231.405 2.367 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)c1ccccc1 ZINC000128851497 411248795 /nfs/dbraw/zinc/24/87/95/411248795.db2.gz XZOSHSOWVDVWOG-GFCCVEGCSA-N 1 0 220.316 2.023 10 0 BEAERO CC1(C)CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000129447431 167930724 /nfs/dbraw/zinc/93/07/24/167930724.db2.gz REOVOBHDJFKZGP-HTAVTVPLSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)(C)c1ccc(Cn2cc(C[NH3+])nn2)cc1 ZINC000050224501 411254618 /nfs/dbraw/zinc/25/46/18/411254618.db2.gz MZNDTPBGNDCIMP-UHFFFAOYSA-N 1 0 244.342 2.083 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C1CCCCC1 ZINC000128864006 411259756 /nfs/dbraw/zinc/25/97/56/411259756.db2.gz KOCVMWDAPIZAQT-LBPRGKRZSA-N 1 0 226.364 2.151 10 0 BEAERO C[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)[C@H]1C ZINC000050565440 411260232 /nfs/dbraw/zinc/26/02/32/411260232.db2.gz HOEODLWWEMKNJA-ZSVAQUKISA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000062116853 411349389 /nfs/dbraw/zinc/34/93/89/411349389.db2.gz WBJFFNGCWXVIQW-QWHCGFSZSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCO1 ZINC000660263860 411351177 /nfs/dbraw/zinc/35/11/77/411351177.db2.gz OIFUYTZKYPDPEY-WJTVCTBASA-N 1 0 209.333 2.190 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cc(F)ccc1F ZINC000658350402 411352164 /nfs/dbraw/zinc/35/21/64/411352164.db2.gz DMQCLUJUPRNFSI-FKTRJACZSA-N 1 0 241.281 2.386 10 0 BEAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658352094 411354622 /nfs/dbraw/zinc/35/46/22/411354622.db2.gz SKRXSDNGEJEIGF-PNESKVBLSA-N 1 0 249.354 2.425 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1cccc(F)c1 ZINC000658352061 411354628 /nfs/dbraw/zinc/35/46/28/411354628.db2.gz SCFVKCQGWFRFTE-JBLZRFIASA-N 1 0 223.291 2.247 10 0 BEAERO CC[C@H]([NH2+]C1CC(CO)C1)[C@@H]1CC1(C)C ZINC000658352047 411354759 /nfs/dbraw/zinc/35/47/59/411354759.db2.gz CFQPCYHJBITZMC-QQFIATSDSA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@@H]([NH2+]C1CC(CO)C1)[C@H]1CC1(C)C ZINC000658352045 411355267 /nfs/dbraw/zinc/35/52/67/411355267.db2.gz CFQPCYHJBITZMC-KIDURHIOSA-N 1 0 211.349 2.172 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000659339615 411366931 /nfs/dbraw/zinc/36/69/31/411366931.db2.gz JXEZANDUCJLABA-QJPTWQEYSA-N 1 0 240.391 2.302 10 0 BEAERO CC1(C)C[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000044368812 167988553 /nfs/dbraw/zinc/98/85/53/167988553.db2.gz YKDFAGTUWWNUFL-NSHDSACASA-N 1 0 211.349 2.460 10 0 BEAERO CC[C@H]([NH2+]C1CCN(C)CC1)C(C)(C)C ZINC000167378182 411341034 /nfs/dbraw/zinc/34/10/34/411341034.db2.gz DUDQRMCEPGMUTO-LBPRGKRZSA-N 1 0 212.381 2.495 10 0 BEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH+]1CCNCC1)C2 ZINC000215756013 168003997 /nfs/dbraw/zinc/00/39/97/168003997.db2.gz IICWXHFZZQZANF-DYEKYZERSA-N 1 0 222.376 2.106 10 0 BEAERO CC1(CNC(=O)C[C@H]2CCCC[NH2+]2)CCCC1 ZINC000104430862 168029909 /nfs/dbraw/zinc/02/99/09/168029909.db2.gz IQKFEADRPNMHFO-GFCCVEGCSA-N 1 0 238.375 2.215 10 0 BEAERO CC1(C[NH2+][C@@H]2CCC[C@H]2CCF)COC1 ZINC000336753824 168045340 /nfs/dbraw/zinc/04/53/40/168045340.db2.gz HUJHVGSEMOKDSO-WDEREUQCSA-N 1 0 215.312 2.141 10 0 BEAERO CC1(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000055090070 168060225 /nfs/dbraw/zinc/06/02/25/168060225.db2.gz BCZSJFBHDUHPCL-NWDGAFQWSA-N 1 0 238.375 2.343 10 0 BEAERO CC1([NH2+]C[C@@H]2CCCCN2)CCCCC1 ZINC000045047222 168062771 /nfs/dbraw/zinc/06/27/71/168062771.db2.gz SBHMXFRCPHKCAO-LBPRGKRZSA-N 1 0 210.365 2.441 10 0 BEAERO CC1(O)CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000160851530 168067366 /nfs/dbraw/zinc/06/73/66/168067366.db2.gz NMTWNZRHOYVAJK-CYBMUJFWSA-N 1 0 231.339 2.173 10 0 BEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCCC2CCC2)C1 ZINC000659362011 411377324 /nfs/dbraw/zinc/37/73/24/411377324.db2.gz NJSIXZBGQDYBMB-STQMWFEESA-N 1 0 238.375 2.200 10 0 BEAERO CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000368053097 168129484 /nfs/dbraw/zinc/12/94/84/168129484.db2.gz BVIYJBGXLFOJBM-WCDYYPSBSA-N 1 0 235.371 2.461 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C1(CN)CCC(C)CC1 ZINC000037910402 168153389 /nfs/dbraw/zinc/15/33/89/168153389.db2.gz FQQAPUDVODFRMK-OTTFEQOBSA-N 1 0 210.365 2.378 10 0 BEAERO CC1CCC(C[NH3+])(c2cccnc2)CC1 ZINC000077298226 168153835 /nfs/dbraw/zinc/15/38/35/168153835.db2.gz RFOPEDJRTZEDAG-UHFFFAOYSA-N 1 0 204.317 2.488 10 0 BEAERO CC1CCC(C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000036771012 168154078 /nfs/dbraw/zinc/15/40/78/168154078.db2.gz LCZTUARXAVKZJI-UHFFFAOYSA-N 1 0 247.386 2.421 10 0 BEAERO CC1CCC(C[NH2+]CCc2cnn(C)c2)CC1 ZINC000128101300 168155082 /nfs/dbraw/zinc/15/50/82/168155082.db2.gz VVXIAOSUEGDFPB-UHFFFAOYSA-N 1 0 235.375 2.379 10 0 BEAERO CC1CCC(C[NH2+]CCN2CCC2)CC1 ZINC000309114894 168155088 /nfs/dbraw/zinc/15/50/88/168155088.db2.gz LBESXQWMGDNAOY-UHFFFAOYSA-N 1 0 210.365 2.108 10 0 BEAERO CC1CCC(CO)([NH2+]Cc2ccccn2)CC1 ZINC000053113528 168156473 /nfs/dbraw/zinc/15/64/73/168156473.db2.gz JDNAKRQBOBUPLW-UHFFFAOYSA-N 1 0 234.343 2.112 10 0 BEAERO CC1CCC(CO)(Nc2cc[nH+]cc2N)CC1 ZINC000053114247 168156493 /nfs/dbraw/zinc/15/64/93/168156493.db2.gz BTJYHDAWQDCGRX-UHFFFAOYSA-N 1 0 235.331 2.017 10 0 BEAERO CC(C)[C@@H](N)C[N@H+](C)C1CCC(C)CC1 ZINC000042488239 168160081 /nfs/dbraw/zinc/16/00/81/168160081.db2.gz GCYQMHOGPJXOSE-BPCQOVAHSA-N 1 0 212.381 2.480 10 0 BEAERO CC1CCC([NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000037729928 168159569 /nfs/dbraw/zinc/15/95/69/168159569.db2.gz SIMUGCCJPNUKBY-UHFFFAOYSA-N 1 0 213.321 2.236 10 0 BEAERO CC1CCC(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000019506515 168162863 /nfs/dbraw/zinc/16/28/63/168162863.db2.gz HBGVDUCNWCTXBC-POOIEITISA-N 1 0 238.375 2.212 10 0 BEAERO CC1CCC(OC[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052619317 168168667 /nfs/dbraw/zinc/16/86/67/168168667.db2.gz DQWIGOSUNMYJBM-FIYWTHMPSA-N 1 0 227.348 2.088 10 0 BEAERO CC(C)C1([NH2+]CCN2CCC(C)CC2)CC1 ZINC000339507920 168181820 /nfs/dbraw/zinc/18/18/20/168181820.db2.gz OIRAHBXIVWRHJW-UHFFFAOYSA-N 1 0 224.392 2.497 10 0 BEAERO CC1CC[NH+](C[C@@H](N)c2cccs2)CC1 ZINC000019821521 168182578 /nfs/dbraw/zinc/18/25/78/168182578.db2.gz OEQAKERCIGXHON-LLVKDONJSA-N 1 0 224.373 2.480 10 0 BEAERO CC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2N)CC1 ZINC000023069619 168185977 /nfs/dbraw/zinc/18/59/77/168185977.db2.gz VNHAAJAJYUQMII-RWMBFGLXSA-N 1 0 210.365 2.234 10 0 BEAERO CC1CCN([C@@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000019272110 168186088 /nfs/dbraw/zinc/18/60/88/168186088.db2.gz ODRLCXPWCDQCLZ-HIFRSBDPSA-N 1 0 246.354 2.179 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccco1)N1CCC(C)CC1 ZINC000043334293 168187128 /nfs/dbraw/zinc/18/71/28/168187128.db2.gz QVIUFXGLGQAOBF-DGCLKSJQSA-N 1 0 222.332 2.400 10 0 BEAERO CCC(=O)N(CCC[NH3+])c1ccccc1C ZINC000020232449 168213116 /nfs/dbraw/zinc/21/31/16/168213116.db2.gz NHZVTOXCVBXVHP-UHFFFAOYSA-N 1 0 220.316 2.087 10 0 BEAERO CCC(=O)N(c1ccc(C[NH3+])cc1)C(C)C ZINC000034654787 168214318 /nfs/dbraw/zinc/21/43/18/168214318.db2.gz TYFKEVAQNGNJDQ-UHFFFAOYSA-N 1 0 220.316 2.297 10 0 BEAERO CCC(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000035643064 168246835 /nfs/dbraw/zinc/24/68/35/168246835.db2.gz YQJPYQHSUODAJL-SECBINFHSA-N 1 0 206.289 2.316 10 0 BEAERO CCC(C)(C)C1CCC([NH3+])(C(=O)OC)CC1 ZINC000037459702 168270119 /nfs/dbraw/zinc/27/01/19/168270119.db2.gz RORIJEZWKXNLRF-UHFFFAOYSA-N 1 0 227.348 2.483 10 0 BEAERO CCC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000020036074 168298652 /nfs/dbraw/zinc/29/86/52/168298652.db2.gz PZDKETVUSJVWRB-UHFFFAOYSA-N 1 0 238.306 2.203 10 0 BEAERO CCC(C)(C)[NH2+]Cc1c(C)nn(C)c1C ZINC000020085450 168299294 /nfs/dbraw/zinc/29/92/94/168299294.db2.gz QESPNRKGEIRAFG-UHFFFAOYSA-N 1 0 209.337 2.315 10 0 BEAERO CCC(C)(C)[NH2+]C[C@H](C)N1C[C@H](C)OC[C@@H]1C ZINC000053491026 168299424 /nfs/dbraw/zinc/29/94/24/168299424.db2.gz OSGVIMDRJQAKFY-AVGNSLFASA-N 1 0 242.407 2.262 10 0 BEAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)C(C)C ZINC000336776048 168301003 /nfs/dbraw/zinc/30/10/03/168301003.db2.gz DOBYLJDQUYOTNN-MNOVXSKESA-N 1 0 228.380 2.314 10 0 BEAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1cccs1 ZINC000069633621 411457722 /nfs/dbraw/zinc/45/77/22/411457722.db2.gz ZZPFWWNTDSOLTB-VIFPVBQESA-N 1 0 240.372 2.443 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616617348 411393783 /nfs/dbraw/zinc/39/37/83/411393783.db2.gz SKKZYYAFRURUOX-CQSZACIVSA-N 1 0 246.354 2.373 10 0 BEAERO c1csc(C[NH2+][C@@H]2CCc3nccn3C2)c1 ZINC000368842832 411395004 /nfs/dbraw/zinc/39/50/04/411395004.db2.gz AQMUBSWBVCBOIF-SNVBAGLBSA-N 1 0 233.340 2.049 10 0 BEAERO Cc1c[nH+]ccc1N[C@@H]1CNc2ccccc2C1 ZINC000404456088 411397682 /nfs/dbraw/zinc/39/76/82/411397682.db2.gz VSHRUHGJWBQGAP-ZDUSSCGKSA-N 1 0 239.322 2.261 10 0 BEAERO CC(C)(C)[NH+]1CCC(Nc2cc[nH]n2)CC1 ZINC000616620293 411398379 /nfs/dbraw/zinc/39/83/79/411398379.db2.gz UUBGYRXKTOWMRR-UHFFFAOYSA-N 1 0 222.336 2.085 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2cccc(OC)c2)CC1 ZINC000616687285 411414838 /nfs/dbraw/zinc/41/48/38/411414838.db2.gz RWCVUADMGFVTSQ-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO CCN(C[C@H](C)C[NH3+])c1cnc2ccccc2n1 ZINC000052017355 169890451 /nfs/dbraw/zinc/89/04/51/169890451.db2.gz FPJZHCOVTJLJPT-LLVKDONJSA-N 1 0 244.342 2.051 10 0 BEAERO Cc1cc(C(C)C)nc(NCC[C@H]2CC[NH2+]C2)n1 ZINC000122566853 411432709 /nfs/dbraw/zinc/43/27/09/411432709.db2.gz BXJAGZRTEGDPFH-GFCCVEGCSA-N 1 0 248.374 2.320 10 0 BEAERO Cc1cc(C(C)C)nc(NCC[N@H+](C)C2CC2)n1 ZINC000122442821 411432813 /nfs/dbraw/zinc/43/28/13/411432813.db2.gz PJSPPKODXIPHNH-UHFFFAOYSA-N 1 0 248.374 2.415 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@H]2CCC[NH2+]2)n1 ZINC000122556742 411433154 /nfs/dbraw/zinc/43/31/54/411433154.db2.gz HTQZFQSDXMMPHS-LLVKDONJSA-N 1 0 234.347 2.072 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000122610121 411434170 /nfs/dbraw/zinc/43/41/70/411434170.db2.gz SYKDUSMOVPGJQF-VXGBXAGGSA-N 1 0 248.374 2.082 10 0 BEAERO CCN(Cc1ccco1)[C@H]1CCCC[NH2+]C1 ZINC000054135420 169922250 /nfs/dbraw/zinc/92/22/50/169922250.db2.gz WKSIXEXWMXZHFF-LBPRGKRZSA-N 1 0 222.332 2.244 10 0 BEAERO CCN(c1cccc(C)c1)[C@](C)(C[NH3+])COC ZINC000053198253 169942760 /nfs/dbraw/zinc/94/27/60/169942760.db2.gz MQJZISCVPRMGSA-CQSZACIVSA-N 1 0 236.359 2.185 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659929023 411501947 /nfs/dbraw/zinc/50/19/47/411501947.db2.gz PFQJLXJSNVCAPJ-QMIVOQANSA-N 1 0 234.387 2.201 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657421935 411503090 /nfs/dbraw/zinc/50/30/90/411503090.db2.gz SBNPBENXTAYPBS-XVKPBYJWSA-N 1 0 245.244 2.371 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(C)cc2N)C1 ZINC000049193135 169977648 /nfs/dbraw/zinc/97/76/48/169977648.db2.gz WTWXAZGGWAGHFT-LBPRGKRZSA-N 1 0 233.359 2.473 10 0 BEAERO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000660000588 411526305 /nfs/dbraw/zinc/52/63/05/411526305.db2.gz YLTVOFNDYNWLEX-QNWHQSFQSA-N 1 0 211.349 2.410 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2cc(C)ccn2)C1 ZINC000043561496 170008898 /nfs/dbraw/zinc/00/88/98/170008898.db2.gz KLKNHGJWPFRQSP-LBPRGKRZSA-N 1 0 219.332 2.144 10 0 BEAERO CC[C@H](NC(=O)CCC(C)(C)[NH3+])C(C)C ZINC000069634039 411466393 /nfs/dbraw/zinc/46/63/93/411466393.db2.gz NYQNWXILSFANBK-JTQLQIEISA-N 1 0 214.353 2.055 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2cccc(F)c2N)C1 ZINC000037643875 170016702 /nfs/dbraw/zinc/01/67/02/170016702.db2.gz NKIDBSFDOGHFBK-SNVBAGLBSA-N 1 0 237.322 2.162 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000069799653 170017818 /nfs/dbraw/zinc/01/78/18/170017818.db2.gz DRLRFWDAPVSVSX-RYUDHWBXSA-N 1 0 226.270 2.059 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000328526656 170022160 /nfs/dbraw/zinc/02/21/60/170022160.db2.gz URFXFEJOHVXOQK-YIYPIFLZSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000336899010 170022253 /nfs/dbraw/zinc/02/22/53/170022253.db2.gz QXDSWSUQBDEYCF-ZOBORPQBSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000328526657 170022293 /nfs/dbraw/zinc/02/22/93/170022293.db2.gz URFXFEJOHVXOQK-ZOBORPQBSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000328221134 170023041 /nfs/dbraw/zinc/02/30/41/170023041.db2.gz YNAFHMLVFUQQTA-SYQHCUMBSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000336779495 170029868 /nfs/dbraw/zinc/02/98/68/170029868.db2.gz OMEJVAWPHZYCAS-OLZOCXBDSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776757 170030321 /nfs/dbraw/zinc/03/03/21/170030321.db2.gz GOBZGWLUFJDPFT-OLZOCXBDSA-N 1 0 224.392 2.352 10 0 BEAERO CCN1C[C@H]([NH2+]C[C@H]2CC=CCC2)[C@@H](C)C1 ZINC000336776213 170035110 /nfs/dbraw/zinc/03/51/10/170035110.db2.gz FCWDIAMBPLHFQM-IHRRRGAJSA-N 1 0 222.376 2.273 10 0 BEAERO CCN1C[C@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000309419803 170035323 /nfs/dbraw/zinc/03/53/23/170035323.db2.gz AKRMCUOWZKSCLU-AAEUAGOBSA-N 1 0 242.432 2.059 10 0 BEAERO CCN1C[C@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062569159 170035357 /nfs/dbraw/zinc/03/53/57/170035357.db2.gz SUBUQLBYCVJPJU-WCQYABFASA-N 1 0 204.317 2.041 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000309897290 170036753 /nfs/dbraw/zinc/03/67/53/170036753.db2.gz GIYHLHVRSARQJU-GXTWGEPZSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000336776212 170038569 /nfs/dbraw/zinc/03/85/69/170038569.db2.gz FCWDIAMBPLHFQM-BFHYXJOUSA-N 1 0 222.376 2.273 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309061767 170039978 /nfs/dbraw/zinc/03/99/78/170039978.db2.gz XDESWJGQIHIEBE-TUAOUCFPSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 ZINC000336763980 170040147 /nfs/dbraw/zinc/04/01/47/170040147.db2.gz PMFJRTVGBCFJQA-MROQNXINSA-N 1 0 210.365 2.105 10 0 BEAERO CCNC(=[NH2+])N[C@H](C)Cc1ccc(C)s1 ZINC000070716783 170041863 /nfs/dbraw/zinc/04/18/63/170041863.db2.gz ZBKVSOFOYMIPCM-MRVPVSSYSA-N 1 0 225.361 2.121 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H](CC)C1 ZINC000061289625 170106480 /nfs/dbraw/zinc/10/64/80/170106480.db2.gz AFAUAYXHYNICLZ-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@@H]1CC ZINC000061288743 170106741 /nfs/dbraw/zinc/10/67/41/170106741.db2.gz PRGNUUURXOWGCG-NSHDSACASA-N 1 0 226.364 2.166 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000061287616 170107235 /nfs/dbraw/zinc/10/72/35/170107235.db2.gz WXCIVYOFTKHFGN-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000061288886 170107323 /nfs/dbraw/zinc/10/73/23/170107323.db2.gz OIUNXRIIPJWFMC-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(F)ccc1C ZINC000061287666 170107568 /nfs/dbraw/zinc/10/75/68/170107568.db2.gz KGXSPYWZQIJTPB-UHFFFAOYSA-N 1 0 238.306 2.461 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1nc(C)c(C)s1 ZINC000061299030 170107799 /nfs/dbraw/zinc/10/77/99/170107799.db2.gz CMIHJYWHUMUVEY-UHFFFAOYSA-N 1 0 241.360 2.087 10 0 BEAERO CC[NH2+]C(C)(C)c1nnc(C2CCCC2)[nH]1 ZINC000061151998 170107844 /nfs/dbraw/zinc/10/78/44/170107844.db2.gz DEAWBTRCYBMEGZ-UHFFFAOYSA-N 1 0 222.336 2.307 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@H]1CC ZINC000061291715 170107950 /nfs/dbraw/zinc/10/79/50/170107950.db2.gz GHZAOKGWKPPPPV-NEPJUHHUSA-N 1 0 240.391 2.460 10 0 BEAERO CC[NH2+]C1CCN(Cc2ccc(C)o2)CC1 ZINC000053038396 170108441 /nfs/dbraw/zinc/10/84/41/170108441.db2.gz AMWKVBLOUOAKFB-UHFFFAOYSA-N 1 0 222.332 2.162 10 0 BEAERO CC[NH2+]CC1(c2ccccc2OC)CCOCC1 ZINC000053738736 170110411 /nfs/dbraw/zinc/11/04/11/170110411.db2.gz MRECRUZPVDDDFW-UHFFFAOYSA-N 1 0 249.354 2.353 10 0 BEAERO CC[NH2+]CCCN(C)Cc1ccccc1OC ZINC000042442210 170112861 /nfs/dbraw/zinc/11/28/61/170112861.db2.gz QJBSQZUGPUIZJC-UHFFFAOYSA-N 1 0 236.359 2.127 10 0 BEAERO CC[NH2+]CCN(CC)c1cnc2ccccc2n1 ZINC000053707562 170113256 /nfs/dbraw/zinc/11/32/56/170113256.db2.gz LEIRFJWCICZTMJ-UHFFFAOYSA-N 1 0 244.342 2.066 10 0 BEAERO CC[NH2+]CCN(CC)Cc1cccc(OC)c1 ZINC000034417127 170113277 /nfs/dbraw/zinc/11/32/77/170113277.db2.gz GOGAPEUHHXUVNQ-UHFFFAOYSA-N 1 0 236.359 2.127 10 0 BEAERO CC[NH2+]CCc1nc2ccccc2s1 ZINC000020128118 170117944 /nfs/dbraw/zinc/11/79/44/170117944.db2.gz PFJSRKUVAMVVHI-UHFFFAOYSA-N 1 0 206.314 2.448 10 0 BEAERO CC[NH2+]CCc1nc2cc(CC)ccc2[nH]1 ZINC000071743223 170117991 /nfs/dbraw/zinc/11/79/91/170117991.db2.gz FVCMFMIYNAPTSR-UHFFFAOYSA-N 1 0 217.316 2.277 10 0 BEAERO CC[NH2+]CCc1cnc2ccccc2c1 ZINC000060714827 170118114 /nfs/dbraw/zinc/11/81/14/170118114.db2.gz ZJZQHRIVGFXBQA-UHFFFAOYSA-N 1 0 200.285 2.387 10 0 BEAERO CC[NH2+]CCc1nc(-c2cc(F)ccc2C)no1 ZINC000052138206 170118320 /nfs/dbraw/zinc/11/83/20/170118320.db2.gz IAKHEHPYQBXHSZ-UHFFFAOYSA-N 1 0 249.289 2.336 10 0 BEAERO CC[NH2+]CCc1csc(CC(C)C)n1 ZINC000076783315 170118437 /nfs/dbraw/zinc/11/84/37/170118437.db2.gz HDSBOOZXDVMDGY-UHFFFAOYSA-N 1 0 212.362 2.494 10 0 BEAERO CC[NH2+]C[C@@H](O)COc1cccc(C(C)C)c1 ZINC000033466164 170119239 /nfs/dbraw/zinc/11/92/39/170119239.db2.gz CNPBBNSLSWVNTH-CYBMUJFWSA-N 1 0 237.343 2.159 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000061228019 170119544 /nfs/dbraw/zinc/11/95/44/170119544.db2.gz SUJCCVPYVPJRRQ-SNVBAGLBSA-N 1 0 238.306 2.318 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2ccccc2OC)C1 ZINC000053010435 170119609 /nfs/dbraw/zinc/11/96/09/170119609.db2.gz GUECSIWZOVSAEH-LBPRGKRZSA-N 1 0 234.343 2.131 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2ccc(COC)cc2)C1 ZINC000076532486 170120032 /nfs/dbraw/zinc/12/00/32/170120032.db2.gz PLAKZNKOADHDFJ-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC000053011091 170120034 /nfs/dbraw/zinc/12/00/34/170120034.db2.gz HFDCPUFMMNYHQQ-AWEZNQCLSA-N 1 0 248.370 2.127 10 0 BEAERO CC[NH2+]C[C@@H](O)c1cc(C)c(OCC)cc1C ZINC000049828928 170120110 /nfs/dbraw/zinc/12/01/10/170120110.db2.gz JLMWUPJPTTZPKL-CYBMUJFWSA-N 1 0 237.343 2.345 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000083263991 170120125 /nfs/dbraw/zinc/12/01/25/170120125.db2.gz ZVXJGMFWHMPQBQ-SNVBAGLBSA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+]C[C@@](O)(c1ccccc1)C(C)C ZINC000032011850 170120830 /nfs/dbraw/zinc/12/08/30/170120830.db2.gz HEDVQHOFKJISGI-ZDUSSCGKSA-N 1 0 207.317 2.140 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N1CCCCCCC1 ZINC000061228657 170120850 /nfs/dbraw/zinc/12/08/50/170120850.db2.gz PGRRCHDUBREHFL-LBPRGKRZSA-N 1 0 226.364 2.025 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000055032815 170120995 /nfs/dbraw/zinc/12/09/95/170120995.db2.gz ZQVQQDORSOWGOX-LLVKDONJSA-N 1 0 213.708 2.157 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1ccc(OC(C)C)cc1 ZINC000033466202 170121043 /nfs/dbraw/zinc/12/10/43/170121043.db2.gz IIIKHYQIDFPKLF-CQSZACIVSA-N 1 0 237.343 2.291 10 0 BEAERO CC[NH2+]C[C@H](C)CN1Cc2ccccc2C1 ZINC000052374284 170121712 /nfs/dbraw/zinc/12/17/12/170121712.db2.gz BWVKMBDPSSETLN-LBPRGKRZSA-N 1 0 218.344 2.248 10 0 BEAERO CC[NH2+]C[C@H](C)c1nc2cc(F)ccc2[nH]1 ZINC000061219186 170121920 /nfs/dbraw/zinc/12/19/20/170121920.db2.gz JHUXMIVPLSAGHX-QMMMGPOBSA-N 1 0 221.279 2.415 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000061229468 170122040 /nfs/dbraw/zinc/12/20/40/170122040.db2.gz JNJWPIJTIDXQRM-LBPRGKRZSA-N 1 0 238.375 2.239 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000061227490 170122043 /nfs/dbraw/zinc/12/20/43/170122043.db2.gz IAKBXKGQJILSOI-QMMMGPOBSA-N 1 0 242.269 2.149 10 0 BEAERO CC[NH2+]C[C@H](OCCOC)c1ccccc1C ZINC000050495754 170122786 /nfs/dbraw/zinc/12/27/86/170122786.db2.gz SQLXDZYMTWNFRA-AWEZNQCLSA-N 1 0 237.343 2.309 10 0 BEAERO CC[NH2+]C[C@H]1CCCN(c2nc(C)cs2)C1 ZINC000053695972 170122817 /nfs/dbraw/zinc/12/28/17/170122817.db2.gz PEDUDZLLPRWQPY-LLVKDONJSA-N 1 0 239.388 2.277 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(SCC)cc1 ZINC000096890899 170122923 /nfs/dbraw/zinc/12/29/23/170122923.db2.gz XFWQZUMMGDXPFN-LBPRGKRZSA-N 1 0 225.357 2.442 10 0 BEAERO CC[NH2+]C[C@](O)(c1ccccc1)C(C)C ZINC000032011849 170123258 /nfs/dbraw/zinc/12/32/58/170123258.db2.gz HEDVQHOFKJISGI-CYBMUJFWSA-N 1 0 207.317 2.140 10 0 BEAERO CC[NH2+]C[C@]1(Cc2ccc(F)cc2)CCOC1 ZINC000054664178 170123559 /nfs/dbraw/zinc/12/35/59/170123559.db2.gz IAFUANKISFCEAA-CQSZACIVSA-N 1 0 237.318 2.384 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1OC ZINC000054590430 170123693 /nfs/dbraw/zinc/12/36/93/170123693.db2.gz AINYNDXNZLOIMT-PWSUYJOCSA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@](O)(CC)c1ccc(C)cc1 ZINC000032011848 170123731 /nfs/dbraw/zinc/12/37/31/170123731.db2.gz HPNZMKVPSAWDTC-CYBMUJFWSA-N 1 0 207.317 2.202 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1ccccc1OC(C)C ZINC000033466209 170123759 /nfs/dbraw/zinc/12/37/59/170123759.db2.gz IVCDKCFASSJMJL-AWEZNQCLSA-N 1 0 237.343 2.291 10 0 BEAERO CC[NH2+]Cc1c(N(C)C2CC2)nc2ccccn21 ZINC000035449110 170124137 /nfs/dbraw/zinc/12/41/37/170124137.db2.gz BJQOSKAXCUYMNI-UHFFFAOYSA-N 1 0 244.342 2.042 10 0 BEAERO CC[NH2+]Cc1cc(C)ccc1O[C@@H]1CCC[C@@H]1O ZINC000071403909 170125199 /nfs/dbraw/zinc/12/51/99/170125199.db2.gz MSPQSAMPCBCCSI-DZGCQCFKSA-N 1 0 249.354 2.397 10 0 BEAERO CC[NH2+]Cc1cc(Cl)cc(OC)c1OC ZINC000040722118 170125595 /nfs/dbraw/zinc/12/55/95/170125595.db2.gz VKLWKQFWTOBYNE-UHFFFAOYSA-N 1 0 229.707 2.467 10 0 BEAERO CC[NH2+]Cc1ccc(-n2ccnc2)cc1C ZINC000050585127 170126114 /nfs/dbraw/zinc/12/61/14/170126114.db2.gz QLLRGZGZLFNFND-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1ccc(-n2cc(C)cn2)cc1 ZINC000037677769 170126652 /nfs/dbraw/zinc/12/66/52/170126652.db2.gz MPVZYKQUBNHMGX-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1ccc(OC)c(OCC(F)F)c1 ZINC000037755500 170127025 /nfs/dbraw/zinc/12/70/25/170127025.db2.gz WXTKQASXOSYSFM-UHFFFAOYSA-N 1 0 245.269 2.449 10 0 BEAERO CC[NH2+]Cc1ccc(OC)c2ncccc12 ZINC000020412678 170127827 /nfs/dbraw/zinc/12/78/27/170127827.db2.gz HWOAGCLWSJHSDW-UHFFFAOYSA-N 1 0 216.284 2.353 10 0 BEAERO CC[NH2+]Cc1ccccc1N(CC)CCOC ZINC000042493995 170128381 /nfs/dbraw/zinc/12/83/81/170128381.db2.gz AZARIHZRQZNVDG-UHFFFAOYSA-N 1 0 236.359 2.269 10 0 BEAERO CC[NH2+]Cc1cccc(-n2cc(Cl)cn2)n1 ZINC000051492414 170128396 /nfs/dbraw/zinc/12/83/96/170128396.db2.gz VTDFSFQQIYODLU-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1cccc(N2CCC[C@H]2C)n1 ZINC000051398751 170128517 /nfs/dbraw/zinc/12/85/17/170128517.db2.gz AGIRDSNKILKSJJ-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1ccccc1N(C)[C@H](C)COC ZINC000042519054 170128613 /nfs/dbraw/zinc/12/86/13/170128613.db2.gz FWHKJAUIVWUKTN-GFCCVEGCSA-N 1 0 236.359 2.267 10 0 BEAERO CC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000040996619 170128884 /nfs/dbraw/zinc/12/88/84/170128884.db2.gz QQGPNPNTPXRUQI-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1ccnc(-c2ccc(OC)cc2)n1 ZINC000045206128 170129204 /nfs/dbraw/zinc/12/92/04/170129204.db2.gz UIFVFZRTVQYALG-UHFFFAOYSA-N 1 0 243.310 2.262 10 0 BEAERO CC[NH2+]Cc1cnc(-c2ccsc2)nc1 ZINC000054855627 170129218 /nfs/dbraw/zinc/12/92/18/170129218.db2.gz MFMYJZOHGCZVLV-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1csc(N(CC)CC)n1 ZINC000062214892 170130311 /nfs/dbraw/zinc/13/03/11/170130311.db2.gz JZUBMRSURPFYBY-UHFFFAOYSA-N 1 0 213.350 2.099 10 0 BEAERO CC[NH2+]Cc1nc2cc(C)c(C)cc2n1C ZINC000045206642 170131190 /nfs/dbraw/zinc/13/11/90/170131190.db2.gz DRDLSRGOUKWMCA-UHFFFAOYSA-N 1 0 217.316 2.300 10 0 BEAERO CC[NH2+]Cc1sc(N(CC)CC)nc1C ZINC000054995228 170132996 /nfs/dbraw/zinc/13/29/96/170132996.db2.gz FEXKIQLPSSDYCF-UHFFFAOYSA-N 1 0 227.377 2.407 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(CC)c1ccccc1 ZINC000061269125 170138923 /nfs/dbraw/zinc/13/89/23/170138923.db2.gz LFSUTWKGUVWCLL-LBPRGKRZSA-N 1 0 234.343 2.428 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(CC)Cc1ccccc1 ZINC000061269365 170139018 /nfs/dbraw/zinc/13/90/18/170139018.db2.gz DAHWDKHLDHRJCZ-ZDUSSCGKSA-N 1 0 248.370 2.423 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000061269007 170139139 /nfs/dbraw/zinc/13/91/39/170139139.db2.gz ADUIKEXZBIJLCB-NWDGAFQWSA-N 1 0 246.354 2.352 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OCC)c(F)c1 ZINC000071550635 170140588 /nfs/dbraw/zinc/14/05/88/170140588.db2.gz KLWCUENBXNWZOJ-TVQRCGJNSA-N 1 0 241.306 2.256 10 0 BEAERO CC[NH2+][C@@H](C)c1c(C)nn([C@@H]2CCOC2)c1C ZINC000070072933 170141148 /nfs/dbraw/zinc/14/11/48/170141148.db2.gz QJMMAYYILKWJNQ-JOYOIKCWSA-N 1 0 237.347 2.132 10 0 BEAERO CC[NH2+][C@@H](C1=CCCCCC1)[C@@H]1COCCO1 ZINC000055301337 170143052 /nfs/dbraw/zinc/14/30/52/170143052.db2.gz FVLGDJCSDMUJDE-KBPBESRZSA-N 1 0 239.359 2.270 10 0 BEAERO CC[NH2+][C@@H](CO)c1cc(C)c(OCC)cc1C ZINC000071548156 170145174 /nfs/dbraw/zinc/14/51/74/170145174.db2.gz UPRCGEHSDCEELO-ZDUSSCGKSA-N 1 0 237.343 2.345 10 0 BEAERO CC[NH2+][C@@H](Cc1ccccc1F)c1cnn(C)c1 ZINC000035556052 170146004 /nfs/dbraw/zinc/14/60/04/170146004.db2.gz MXPSFAPNKKWWLT-AWEZNQCLSA-N 1 0 247.317 2.453 10 0 BEAERO CC[NH2+][C@@H](Cn1ccc(=O)cc1)c1ccccc1 ZINC000061627827 170146131 /nfs/dbraw/zinc/14/61/31/170146131.db2.gz FLDAZLZZVZCWPL-HNNXBMFYSA-N 1 0 242.322 2.199 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(OC)cc1 ZINC000035570395 170146337 /nfs/dbraw/zinc/14/63/37/170146337.db2.gz FVWBZPPPKMTZOV-ZDUSSCGKSA-N 1 0 245.326 2.312 10 0 BEAERO CC[NH2+][C@@H](COC)Cc1ccnc2ccccc12 ZINC000063026107 170146415 /nfs/dbraw/zinc/14/64/15/170146415.db2.gz KBGKOABVCZUNQW-CYBMUJFWSA-N 1 0 244.338 2.402 10 0 BEAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)CC(F)(F)F ZINC000050543067 170146450 /nfs/dbraw/zinc/14/64/50/170146450.db2.gz XVTGHVNFMWXRTQ-JTQLQIEISA-N 1 0 249.280 2.376 10 0 BEAERO CC[NH2+][C@@H](Cc1nccn1C)c1ccccc1 ZINC000063033844 170146887 /nfs/dbraw/zinc/14/68/87/170146887.db2.gz VTGBXRYZXUUPIE-ZDUSSCGKSA-N 1 0 229.327 2.313 10 0 BEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1OC ZINC000035555976 170149505 /nfs/dbraw/zinc/14/95/05/170149505.db2.gz SQJZAZXLHGBILM-AWEZNQCLSA-N 1 0 245.326 2.128 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@H]1c1cncnc1 ZINC000060715523 170150209 /nfs/dbraw/zinc/15/02/09/170150209.db2.gz ABZPHRGYXGURJP-NWDGAFQWSA-N 1 0 205.305 2.112 10 0 BEAERO CC[NH2+][C@@H]1CCCCC[C@H]1n1cccn1 ZINC000043989160 170150385 /nfs/dbraw/zinc/15/03/85/170150385.db2.gz IOXPSOOOFQNYIK-VXGBXAGGSA-N 1 0 207.321 2.366 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@@H]1N1CCCCC1 ZINC000043814327 170150694 /nfs/dbraw/zinc/15/06/94/170150694.db2.gz GJAQJOSYRKSZPW-OLZOCXBDSA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@@H]1CCCCC[C@H]1n1ccnc1 ZINC000043992903 170151005 /nfs/dbraw/zinc/15/10/05/170151005.db2.gz WNIQRWVHPINLPW-VXGBXAGGSA-N 1 0 207.321 2.366 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@H]1c1cnn(C)c1 ZINC000060715599 170151025 /nfs/dbraw/zinc/15/10/25/170151025.db2.gz QFCKFWGWKQITSD-NWDGAFQWSA-N 1 0 207.321 2.056 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(CC)c2)C1 ZINC000037241897 170152788 /nfs/dbraw/zinc/15/27/88/170152788.db2.gz XFDSIOJMZATITI-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(F)cc1 ZINC000095091491 170152973 /nfs/dbraw/zinc/15/29/73/170152973.db2.gz NWGDGBWFZREOEM-GXTWGEPZSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@@H]1CC[S@](=O)c2c(F)ccc(F)c21 ZINC000040977583 170154170 /nfs/dbraw/zinc/15/41/70/170154170.db2.gz ICVIFZYIUZIEHH-JDNHERCYSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@@H]1CC[S@@](=O)c2c(C)cccc21 ZINC000040988518 170154359 /nfs/dbraw/zinc/15/43/59/170154359.db2.gz JCLMCSIGOLITLG-ABAIWWIYSA-N 1 0 223.341 2.157 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccccc1 ZINC000061268754 170157222 /nfs/dbraw/zinc/15/72/22/170157222.db2.gz YJJALYNFMQSLDG-VXGBXAGGSA-N 1 0 234.343 2.252 10 0 BEAERO CC[NH2+][C@H](C)[C@@H](C)N1CCC(C)(C)CC1 ZINC000061819760 170158280 /nfs/dbraw/zinc/15/82/80/170158280.db2.gz WTRLLOAURGPWPF-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2ccccc2n1C ZINC000061181796 170158524 /nfs/dbraw/zinc/15/85/24/170158524.db2.gz OIVMCGUGUVCMPI-SNVBAGLBSA-N 1 0 217.316 2.114 10 0 BEAERO CC[NH2+][C@H](C)Cc1nnc(C)n1-c1ccccc1 ZINC000061213777 170158607 /nfs/dbraw/zinc/15/86/07/170158607.db2.gz YAQNSFIPEJNMCD-LLVKDONJSA-N 1 0 244.342 2.116 10 0 BEAERO CC[NH2+][C@H](C)c1cc2c(cc1F)NC(=O)CC2 ZINC000035571780 170159007 /nfs/dbraw/zinc/15/90/07/170159007.db2.gz UGTFJIONUUUCEV-MRVPVSSYSA-N 1 0 236.290 2.381 10 0 BEAERO CC[NH2+][C@H](C)c1nnc(-c2ccoc2C)o1 ZINC000050618690 170160040 /nfs/dbraw/zinc/16/00/40/170160040.db2.gz IHGAENAGZUONDI-SSDOTTSWSA-N 1 0 221.260 2.309 10 0 BEAERO CC[NH2+][C@H](C)c1nnc(-c2cccc(C)n2)o1 ZINC000050618716 170160406 /nfs/dbraw/zinc/16/04/06/170160406.db2.gz DLEVFEKTNJDXLM-SECBINFHSA-N 1 0 232.287 2.111 10 0 BEAERO CC[NH2+][C@H](CO)c1cc(C(C)C)ccc1OC ZINC000071548120 170162158 /nfs/dbraw/zinc/16/21/58/170162158.db2.gz IMQOQQXNIFOALE-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+][C@H](CO)c1c(C)cc(C)cc1C ZINC000038120299 170162465 /nfs/dbraw/zinc/16/24/65/170162465.db2.gz SPHJUNSTXACGMY-GFCCVEGCSA-N 1 0 207.317 2.255 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1cccc(F)c1 ZINC000035570351 170162892 /nfs/dbraw/zinc/16/28/92/170162892.db2.gz ZHFXMHUWQGOJAN-GFCCVEGCSA-N 1 0 233.290 2.442 10 0 BEAERO CC[NH2+][C@H](c1ccc(C)s1)[C@@H]1COCCO1 ZINC000055299828 170163089 /nfs/dbraw/zinc/16/30/89/170163089.db2.gz YVXOFIUWMWOAIO-JQWIXIFHSA-N 1 0 241.356 2.123 10 0 BEAERO CC[NH2+][C@H](Cc1cnn(C)c1)c1cc(C)ccn1 ZINC000104407203 170163234 /nfs/dbraw/zinc/16/32/34/170163234.db2.gz JVEKPECGQUOWFS-CQSZACIVSA-N 1 0 244.342 2.017 10 0 BEAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000035542425 170164039 /nfs/dbraw/zinc/16/40/39/170164039.db2.gz WPOMMKNOIMVUGT-HUUCEWRRSA-N 1 0 247.338 2.451 10 0 BEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(OC)cc1 ZINC000035556027 170164065 /nfs/dbraw/zinc/16/40/65/170164065.db2.gz OIJNUNROLGOWKJ-CQSZACIVSA-N 1 0 245.326 2.128 10 0 BEAERO CC[NH2+][C@H](c1cccs1)[C@H]1CCOC1 ZINC000048624701 170164656 /nfs/dbraw/zinc/16/46/56/170164656.db2.gz PXMOXVRVLITBDU-ONGXEEELSA-N 1 0 211.330 2.435 10 0 BEAERO CC[NH2+][C@H](c1nc(C)c(C)s1)[C@@H]1CCOC1 ZINC000041061109 170164761 /nfs/dbraw/zinc/16/47/61/170164761.db2.gz NWGPQXKLACXNMF-MNOVXSKESA-N 1 0 240.372 2.447 10 0 BEAERO CC[NH2+][C@H]1CCCCCC[C@@H]1n1cncn1 ZINC000043991456 170165596 /nfs/dbraw/zinc/16/55/96/170165596.db2.gz RNCYKKHRMBUNBK-RYUDHWBXSA-N 1 0 222.336 2.152 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@@H]1n1cc(C)cn1 ZINC000043999512 170166049 /nfs/dbraw/zinc/16/60/49/170166049.db2.gz LHCCGVYXVQHIQC-RYUDHWBXSA-N 1 0 207.321 2.285 10 0 BEAERO CC[NH2+][C@H]1CCC[C@@H]1CN(C)Cc1cccnc1 ZINC000053867310 170166834 /nfs/dbraw/zinc/16/68/34/170166834.db2.gz BGFJEXBXUSHEMG-CABCVRRESA-N 1 0 247.386 2.292 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccc(C)o2)C1 ZINC000049216753 170167420 /nfs/dbraw/zinc/16/74/20/170167420.db2.gz PGHHKURTCXPWIG-RYUDHWBXSA-N 1 0 222.332 2.333 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2cccc(C)n2)C[C@@H]1C ZINC000051576619 170167424 /nfs/dbraw/zinc/16/74/24/170167424.db2.gz JBLUEGRQVQNNIL-WFASDCNBSA-N 1 0 247.386 2.210 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(F)cc2OC)C1 ZINC000049568606 170167548 /nfs/dbraw/zinc/16/75/48/170167548.db2.gz MXSFZWLWPJFIGT-NSHDSACASA-N 1 0 238.306 2.023 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(C)cc(C)c2)C1 ZINC000037242006 170167579 /nfs/dbraw/zinc/16/75/79/170167579.db2.gz VSMWXCWEFSXTSY-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccncc2)C[C@@H]1C ZINC000049712772 170167917 /nfs/dbraw/zinc/16/79/17/170167917.db2.gz ALXCYBOZNGOIDG-YDHLFZDLSA-N 1 0 247.386 2.463 10 0 BEAERO CC[NH2+][C@H]1CCN([C@H](C)c2ccc(C)cc2)C1=O ZINC000049660303 170167932 /nfs/dbraw/zinc/16/79/32/170167932.db2.gz KKRNDMPBBVNEIW-OCCSQVGLSA-N 1 0 246.354 2.266 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H]2CCc3ccccc3C2)C1 ZINC000051631924 170168058 /nfs/dbraw/zinc/16/80/58/170168058.db2.gz BTCMJYJQUUSQSG-JKSUJKDBSA-N 1 0 244.382 2.228 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)CCc2ccco2)C1 ZINC000049568575 170168107 /nfs/dbraw/zinc/16/81/07/170168107.db2.gz JPDQVIHIVRLHHD-STQMWFEESA-N 1 0 236.359 2.285 10 0 BEAERO CC[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000037242320 170168294 /nfs/dbraw/zinc/16/82/94/170168294.db2.gz QAFJUGTYOQHQOX-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@H]1CC[S@@](=O)c2c(C)cccc21 ZINC000040988521 170168557 /nfs/dbraw/zinc/16/85/57/170168557.db2.gz JCLMCSIGOLITLG-NHYWBVRUSA-N 1 0 223.341 2.157 10 0 BEAERO CC[NH2+][C@H]1CC[S@](=O)c2cc(C)c(C)cc21 ZINC000040975106 170168788 /nfs/dbraw/zinc/16/87/88/170168788.db2.gz VDBKWOHFGIGVGE-BLLLJJGKSA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@H]1CC[S@](=O)c2c(C)ccc(C)c21 ZINC000040974418 170168869 /nfs/dbraw/zinc/16/88/69/170168869.db2.gz FGXHCGGUUBNRNP-MEDUHNTESA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@H]1CC[S@](=O)c2c(C)cccc21 ZINC000040988527 170168899 /nfs/dbraw/zinc/16/88/99/170168899.db2.gz JCLMCSIGOLITLG-XHDPSFHLSA-N 1 0 223.341 2.157 10 0 BEAERO CC[NH2+][C@H]1COc2c1ccc1c2OC(C)(C)C1 ZINC000035653961 170168923 /nfs/dbraw/zinc/16/89/23/170168923.db2.gz SFAGIYJFZIXQIF-NSHDSACASA-N 1 0 233.311 2.443 10 0 BEAERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1cccc(F)c1 ZINC000095091504 170169044 /nfs/dbraw/zinc/16/90/44/170169044.db2.gz QAUXKHASNAOBNA-JSGCOSHPSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@]1(C(N)=O)CCCC[C@H]1C(C)(C)C ZINC000037869486 170170181 /nfs/dbraw/zinc/17/01/81/170170181.db2.gz YWWMFXSGEQKNIH-GXFFZTMASA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@]1(C)COCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000660150813 411547430 /nfs/dbraw/zinc/54/74/30/411547430.db2.gz ZWFUVOLGIBNWBI-MELADBBJSA-N 1 0 241.375 2.038 10 0 BEAERO CCOC(=O)C1([NH3+])CCC(C(C)C)CC1 ZINC000054557394 170190399 /nfs/dbraw/zinc/19/03/99/170190399.db2.gz USAUOLJADNSHAW-UHFFFAOYSA-N 1 0 213.321 2.093 10 0 BEAERO CCOC(=O)CC[NH2+]CCc1cccc(C)c1 ZINC000051669914 170208830 /nfs/dbraw/zinc/20/88/30/170208830.db2.gz ZXNRGDWXNDJMHT-UHFFFAOYSA-N 1 0 235.327 2.080 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccc(C)c(C)c1 ZINC000045688315 170208921 /nfs/dbraw/zinc/20/89/21/170208921.db2.gz LBYRRXWCKLTECY-UHFFFAOYSA-N 1 0 235.327 2.346 10 0 BEAERO CCOC(=O)CC[NH2+][C@H](C)CCc1ccco1 ZINC000049566479 170210358 /nfs/dbraw/zinc/21/03/58/170210358.db2.gz HRTISCOMLNENJX-LLVKDONJSA-N 1 0 239.315 2.144 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1ccnc2ccccc21 ZINC000104390615 170233650 /nfs/dbraw/zinc/23/36/50/170233650.db2.gz BMRDWLCQGABSJB-LBPRGKRZSA-N 1 0 244.294 2.188 10 0 BEAERO CCOC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000019278271 170243762 /nfs/dbraw/zinc/24/37/62/170243762.db2.gz WKMSAPPHNJRGJU-QMMMGPOBSA-N 1 0 208.261 2.275 10 0 BEAERO CCOC(=O)[C@@H](C)[N@@H+]1CCCCC[C@H]1C ZINC000250668887 170247041 /nfs/dbraw/zinc/24/70/41/170247041.db2.gz KGURDCFEXZQRQY-GHMZBOCLSA-N 1 0 213.321 2.203 10 0 BEAERO CO[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000660245257 411559066 /nfs/dbraw/zinc/55/90/66/411559066.db2.gz NUUCXAIVMXWSHF-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO CCOC(=O)[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000208231432 170279912 /nfs/dbraw/zinc/27/99/12/170279912.db2.gz DJGSXMRWIZXZHG-OAQKJQOQSA-N 1 0 231.723 2.014 10 0 BEAERO CCOC(=O)[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037459850 170285700 /nfs/dbraw/zinc/28/57/00/170285700.db2.gz IQOZBAVSFTZLKZ-MFKMUULPSA-N 1 0 227.348 2.483 10 0 BEAERO CCOC(C[C@@H]1CCCCC[NH2+]1)OCC ZINC000256016625 170315759 /nfs/dbraw/zinc/31/57/59/170315759.db2.gz ZTYGROBMPCQUFJ-NSHDSACASA-N 1 0 215.337 2.308 10 0 BEAERO CCOC1(C)CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000310501236 170318890 /nfs/dbraw/zinc/31/88/90/170318890.db2.gz JIQUJJKRISVEAL-STQMWFEESA-N 1 0 241.375 2.181 10 0 BEAERO CCOCCCN1Cc2ccccc2C1=[NH2+] ZINC000020078856 170375751 /nfs/dbraw/zinc/37/57/51/170375751.db2.gz JTZJFENZWCYVRY-UHFFFAOYSA-N 1 0 218.300 2.254 10 0 BEAERO CCOCCC[NH2+]CCc1ccccc1 ZINC000010474684 170380517 /nfs/dbraw/zinc/38/05/17/170380517.db2.gz GWYGCJMQAGPAGJ-UHFFFAOYSA-N 1 0 207.317 2.245 10 0 BEAERO CCOCCC[NH2+]CCOc1ccccc1C ZINC000049773674 170380993 /nfs/dbraw/zinc/38/09/93/170380993.db2.gz VZISQRWUJQKFEI-UHFFFAOYSA-N 1 0 237.343 2.390 10 0 BEAERO CCOCCC[NH2+][C@@H](C)CC(C)(C)OC ZINC000020524451 170381424 /nfs/dbraw/zinc/38/14/24/170381424.db2.gz IAYFXKOZZHEKNR-NSHDSACASA-N 1 0 217.353 2.206 10 0 BEAERO CCOCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404600 170397400 /nfs/dbraw/zinc/39/74/00/170397400.db2.gz ZWMBJZWBKAVPCN-LLVKDONJSA-N 1 0 209.289 2.453 10 0 BEAERO CO[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1CCCC1 ZINC000663366401 411637247 /nfs/dbraw/zinc/63/72/47/411637247.db2.gz IGNVJNVVEYDDPQ-OLZOCXBDSA-N 1 0 243.391 2.188 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657697231 411581841 /nfs/dbraw/zinc/58/18/41/411581841.db2.gz NXYMKQCTRXVXHO-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@@H](C[NH2+][C@@H](C)COC)CC(F)F ZINC000660485860 411593180 /nfs/dbraw/zinc/59/31/80/411593180.db2.gz XXORERWGEYMCPZ-DTWKUNHWSA-N 1 0 209.280 2.292 10 0 BEAERO CC[C@@H](C[NH2+][C@H](C)COC)CC(F)F ZINC000660485862 411593277 /nfs/dbraw/zinc/59/32/77/411593277.db2.gz XXORERWGEYMCPZ-RKDXNWHRSA-N 1 0 209.280 2.292 10 0 BEAERO Cc1cccc(C[NH2+]C2CC(CO)C2)c1C ZINC000657808557 411600934 /nfs/dbraw/zinc/60/09/34/411600934.db2.gz LBYJXKTWNMSDAB-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO Cc1ccc(C[NH2+]C2CC(CO)C2)cc1C ZINC000657808145 411601082 /nfs/dbraw/zinc/60/10/82/411601082.db2.gz BQAOUJAAAYZQBA-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+]C2CC(CO)C2)C1 ZINC000657810722 411602980 /nfs/dbraw/zinc/60/29/80/411602980.db2.gz JETHNGZRASWYKK-UZYDLOFFSA-N 1 0 223.360 2.339 10 0 BEAERO OCC1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC000657813384 411603410 /nfs/dbraw/zinc/60/34/10/411603410.db2.gz VQRDOLVYJKFUAG-DAXSKMNVSA-N 1 0 217.312 2.060 10 0 BEAERO OCC1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC000657813385 411603772 /nfs/dbraw/zinc/60/37/72/411603772.db2.gz VQRDOLVYJKFUAG-QPJJXVBHSA-N 1 0 217.312 2.060 10 0 BEAERO CC(C)C1([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000660638781 411610632 /nfs/dbraw/zinc/61/06/32/411610632.db2.gz GBUCRKWPGQITEN-VIFPVBQESA-N 1 0 219.275 2.189 10 0 BEAERO CCO[C@@]1(c2ccco2)CC[NH2+]C[C@@H]1C ZINC000039099618 170496154 /nfs/dbraw/zinc/49/61/54/170496154.db2.gz HKOZBYYRUBFSPP-JQWIXIFHSA-N 1 0 209.289 2.141 10 0 BEAERO CCO[C@H](C[NH3+])Cn1cc(C)c2ccccc21 ZINC000062740079 170503685 /nfs/dbraw/zinc/50/36/85/170503685.db2.gz NBBJFDXPFOYFAD-GFCCVEGCSA-N 1 0 232.327 2.314 10 0 BEAERO CCO[C@]1(C)OCC[C@@]1(C)[NH2+]C(C)(C)C ZINC000039100141 170513035 /nfs/dbraw/zinc/51/30/35/170513035.db2.gz UPAOGNBRPUVOGT-VXGBXAGGSA-N 1 0 215.337 2.306 10 0 BEAERO CCOc1cc(C)c([C@@H](O)C[NH2+]C2CC2)cc1C ZINC000049837378 170519609 /nfs/dbraw/zinc/51/96/09/170519609.db2.gz CCXVJRGBTSFIQG-AWEZNQCLSA-N 1 0 249.354 2.488 10 0 BEAERO O[C@@H]1CCC[C@@H](C[NH2+]C2(C3CCC3)CC2)C1 ZINC000660919427 411672814 /nfs/dbraw/zinc/67/28/14/411672814.db2.gz GFXYLKANOPZSGO-DGCLKSJQSA-N 1 0 223.360 2.460 10 0 BEAERO CCOc1ccc(C)cc1[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000074368259 170540599 /nfs/dbraw/zinc/54/05/99/170540599.db2.gz PJVHKJXNSZWWKE-JSGCOSHPSA-N 1 0 235.327 2.179 10 0 BEAERO CCOc1ccc([C@@H](O)[C@H]2CCCC[NH2+]2)cc1 ZINC000041265956 170560395 /nfs/dbraw/zinc/56/03/95/170560395.db2.gz RIMBMWYSSWTIOS-ZIAGYGMSSA-N 1 0 235.327 2.261 10 0 BEAERO CCC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000050540731 487536240 /nfs/dbraw/zinc/53/62/40/487536240.db2.gz LRYOHBVRAFBDAL-STQMWFEESA-N 1 0 221.348 2.131 10 0 BEAERO CCOc1cccc(OCc2cc(C[NH3+])no2)c1 ZINC000052594159 170583409 /nfs/dbraw/zinc/58/34/09/170583409.db2.gz BQXOTZZZQOEDGN-UHFFFAOYSA-N 1 0 248.282 2.111 10 0 BEAERO CCOc1ccccc1OCCSC(N)=[NH2+] ZINC000071980717 170596836 /nfs/dbraw/zinc/59/68/36/170596836.db2.gz RXOKCOCEMSNKGY-UHFFFAOYSA-N 1 0 240.328 2.091 10 0 BEAERO c1ccc2c(c1)ccnc2N[C@@H]1CCC[NH2+]C1 ZINC000132069210 411755150 /nfs/dbraw/zinc/75/51/50/411755150.db2.gz UNXQKMDGSDMNDX-GFCCVEGCSA-N 1 0 227.311 2.399 10 0 BEAERO [NH3+][C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000132068979 411755708 /nfs/dbraw/zinc/75/57/08/411755708.db2.gz HCSKPKAWHAXRBA-GFCCVEGCSA-N 1 0 227.311 2.162 10 0 BEAERO CC[C@@H](C)NC(=O)[C@H](CC[NH3+])c1cccc(C)c1 ZINC000076634127 170747261 /nfs/dbraw/zinc/74/72/61/170747261.db2.gz FAVMNYFGFPXDBT-TZMCWYRMSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000026515186 170756341 /nfs/dbraw/zinc/75/63/41/170756341.db2.gz QELHMZRJHSHJIY-NEPJUHHUSA-N 1 0 226.364 2.166 10 0 BEAERO CC[C@@H](C)Oc1cc2c(cc1C[NH3+])OCO2 ZINC000042873599 170765792 /nfs/dbraw/zinc/76/57/92/170765792.db2.gz OYJBWIUVQDBNRI-MRVPVSSYSA-N 1 0 223.272 2.051 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H](C)O1 ZINC000661853467 411903400 /nfs/dbraw/zinc/90/34/00/411903400.db2.gz SOJOYXHGFLSPOB-XJFOESAGSA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@@H](CC[NH3+])NC(=O)Nc1ccccc1F ZINC000054162097 170816040 /nfs/dbraw/zinc/81/60/40/170816040.db2.gz WZARWPBPLJXNEH-VIFPVBQESA-N 1 0 239.294 2.075 10 0 BEAERO CC[C@@H]([NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000044400278 170865907 /nfs/dbraw/zinc/86/59/07/170865907.db2.gz ZTCLAAUIFIHNTC-SSDOTTSWSA-N 1 0 203.207 2.384 10 0 BEAERO CC[C@@H]([NH3+])Cc1nc(-c2ccncc2)cs1 ZINC000054184198 170866088 /nfs/dbraw/zinc/86/60/88/170866088.db2.gz JBWAVMJOGAHFPF-SNVBAGLBSA-N 1 0 233.340 2.485 10 0 BEAERO CC[C@@H]([NH3+])Cc1ccccc1O[C@@H]1CCOC1 ZINC000070072654 170866107 /nfs/dbraw/zinc/86/61/07/170866107.db2.gz FNJRAZNYIZFIFZ-CHWSQXEVSA-N 1 0 235.327 2.134 10 0 BEAERO CC[C@@H]([NH3+])Cc1noc(C2CCCC2)n1 ZINC000054184652 170867035 /nfs/dbraw/zinc/86/70/35/170867035.db2.gz WLHDLTJHCZWQCT-SECBINFHSA-N 1 0 209.293 2.007 10 0 BEAERO CC[C@@H]([NH3+])c1cnn(Cc2ccccc2)c1 ZINC000054717097 170870631 /nfs/dbraw/zinc/87/06/31/170870631.db2.gz UACVEZLRVPDOOV-CYBMUJFWSA-N 1 0 215.300 2.341 10 0 BEAERO CC[C@@H]([NH2+]C[C@H]1CCCN1C)C(C)(C)C ZINC000336770808 170900221 /nfs/dbraw/zinc/90/02/21/170900221.db2.gz VYLRVWBIKZTKCF-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CN2CCC1CC2)C(C)C ZINC000037211659 170910487 /nfs/dbraw/zinc/91/04/87/170910487.db2.gz KTAOVVFFEIBOOA-CHWSQXEVSA-N 1 0 210.365 2.105 10 0 BEAERO CC[C@@H](c1ccccc1)[n+]1ccn(C)c1 ZINC000095934771 170955313 /nfs/dbraw/zinc/95/53/13/170955313.db2.gz OORRFNAAUXNLIG-ZDUSSCGKSA-N 1 0 201.293 2.312 10 0 BEAERO CC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000210089046 171010567 /nfs/dbraw/zinc/01/05/67/171010567.db2.gz GBPGETNVVNFQHR-KGLIPLIRSA-N 1 0 218.344 2.246 10 0 BEAERO CC[C@@H]1CCN(Cc2ccc(F)cc2)CC[NH2+]1 ZINC000049661661 171012547 /nfs/dbraw/zinc/01/25/47/171012547.db2.gz RBSNIDZXTQXXDQ-CQSZACIVSA-N 1 0 236.334 2.400 10 0 BEAERO CC[C@@H]1CCN(c2ccccc2OC)CC[NH2+]1 ZINC000049660825 171014310 /nfs/dbraw/zinc/01/43/10/171014310.db2.gz HHFQBVSNNLXTRA-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO CC[C@@H]1CCN([C@@H](C)c2cccnc2)CC[NH2+]1 ZINC000049662157 171014706 /nfs/dbraw/zinc/01/47/06/171014706.db2.gz SBSKALSJNYOWMS-GXTWGEPZSA-N 1 0 233.359 2.217 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000336680689 171045352 /nfs/dbraw/zinc/04/53/52/171045352.db2.gz CWCNAWPSOTUFDZ-MQYQWHSLSA-N 1 0 224.392 2.493 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCO1 ZINC000052097001 171087012 /nfs/dbraw/zinc/08/70/12/171087012.db2.gz FUFIOKMXZPWJQG-CABCVRRESA-N 1 0 249.354 2.005 10 0 BEAERO CC[C@@H]1CN(Cc2cc(F)ccc2F)CC[NH2+]1 ZINC000068692382 171087607 /nfs/dbraw/zinc/08/76/07/171087607.db2.gz GLYZATUBQYZKPP-GFCCVEGCSA-N 1 0 240.297 2.149 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(F)cc2)CC[NH2+]1 ZINC000039102375 171089865 /nfs/dbraw/zinc/08/98/65/171089865.db2.gz RPIAOBUEUQAHDP-CYBMUJFWSA-N 1 0 222.307 2.010 10 0 BEAERO CC[C@@H]1CN([C@@H](C)c2ccccc2)CC[NH2+]1 ZINC000083059562 171094375 /nfs/dbraw/zinc/09/43/75/171094375.db2.gz NUSCNTUQLRWWND-GXTWGEPZSA-N 1 0 218.344 2.431 10 0 BEAERO CC[C@@H]1CN(c2nc(C)cs2)[C@H](CC)C[NH2+]1 ZINC000083117979 171098330 /nfs/dbraw/zinc/09/83/30/171098330.db2.gz YLKAYDXMNSSRAC-GHMZBOCLSA-N 1 0 239.388 2.418 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccs1 ZINC000082934979 171100755 /nfs/dbraw/zinc/10/07/55/171100755.db2.gz FBUDNXORGGAKDP-WDEREUQCSA-N 1 0 224.373 2.320 10 0 BEAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CC(C)C ZINC000068695131 171101404 /nfs/dbraw/zinc/10/14/04/171101404.db2.gz NASAYLRDCBETSW-CHWSQXEVSA-N 1 0 212.381 2.351 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1CCOc1cccc(C)c1 ZINC000083379353 171101662 /nfs/dbraw/zinc/10/16/62/171101662.db2.gz BPXURTFCTAUUGD-CQSZACIVSA-N 1 0 248.370 2.058 10 0 BEAERO CC[C@@H]1COCC[N@@H+]1[C@H]1CNc2ccccc2C1 ZINC000037761152 171108482 /nfs/dbraw/zinc/10/84/82/171108482.db2.gz KGCMELKKYDJDDM-ZIAGYGMSSA-N 1 0 246.354 2.134 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccc(C)cc2)C[NH2+]1 ZINC000036672918 171109116 /nfs/dbraw/zinc/10/91/16/171109116.db2.gz OEINTKBGROAEND-CHWSQXEVSA-N 1 0 205.301 2.435 10 0 BEAERO CC[C@@H]1CO[C@](C)(c2ccccc2)C[NH2+]1 ZINC000052099049 171113639 /nfs/dbraw/zinc/11/36/39/171113639.db2.gz DJFYDRBPKADWRW-OLZOCXBDSA-N 1 0 205.301 2.300 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccccc2F)C[NH2+]1 ZINC000036672736 171114122 /nfs/dbraw/zinc/11/41/22/171114122.db2.gz GMCWPAIWXMTKIU-SKDRFNHKSA-N 1 0 209.264 2.265 10 0 BEAERO CC[C@@H]1CO[C@H](c2cccc(OC)c2)C[NH2+]1 ZINC000036672744 171114383 /nfs/dbraw/zinc/11/43/83/171114383.db2.gz JIADQNGZVBEVIS-YPMHNXCESA-N 1 0 221.300 2.135 10 0 BEAERO CC[C@@H]1[NH2+]CCc2cc3c(cc21)OCCO3 ZINC000011599019 171150702 /nfs/dbraw/zinc/15/07/02/171150702.db2.gz UXKSDUWNIGQHGJ-NSHDSACASA-N 1 0 219.284 2.055 10 0 BEAERO CC[C@@](C)(C[NH3+])Oc1cccc(F)c1F ZINC000062654218 171167446 /nfs/dbraw/zinc/16/74/46/171167446.db2.gz JGJOIMOWODMOCP-NSHDSACASA-N 1 0 215.243 2.471 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000119407121 171177218 /nfs/dbraw/zinc/17/72/18/171177218.db2.gz YSQNMYMUDDNEHK-CYBMUJFWSA-N 1 0 225.307 2.419 10 0 BEAERO CC[C@@](C)(O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000119425311 171178241 /nfs/dbraw/zinc/17/82/41/171178241.db2.gz LNEHKISGTNREII-SNVBAGLBSA-N 1 0 239.281 2.422 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccccc1OC ZINC000119409311 171178932 /nfs/dbraw/zinc/17/89/32/171178932.db2.gz SUEPVVVIJDOPOD-CQSZACIVSA-N 1 0 237.343 2.288 10 0 BEAERO CC[C@@](CO)([NH2+]C)c1cccc(Cl)c1 ZINC000038121088 171193025 /nfs/dbraw/zinc/19/30/25/171193025.db2.gz UWABUZDACBXKHX-NSHDSACASA-N 1 0 213.708 2.157 10 0 BEAERO CC[C@@]([NH2+]CC(C)C)(C(N)=O)c1ccccc1 ZINC000037951910 171194466 /nfs/dbraw/zinc/19/44/66/171194466.db2.gz USPLDRRJJFHATI-AWEZNQCLSA-N 1 0 234.343 2.023 10 0 BEAERO CC[C@@]([NH2+]CC1CC1)(C(N)=O)c1ccc(C)cc1 ZINC000037952126 171194730 /nfs/dbraw/zinc/19/47/30/171194730.db2.gz DOEVEEBMYCBWHL-HNNXBMFYSA-N 1 0 246.354 2.085 10 0 BEAERO CC[C@@]1(C(=O)OCC2CCCCC2)CC[NH2+]C1 ZINC000062921758 171197713 /nfs/dbraw/zinc/19/77/13/171197713.db2.gz ZVSXIEJMUZSWRG-CQSZACIVSA-N 1 0 239.359 2.500 10 0 BEAERO CC[C@@]1(C(=O)Nc2cccc(O)c2)CCC[NH2+]C1 ZINC000062858857 171197817 /nfs/dbraw/zinc/19/78/17/171197817.db2.gz UYXMGAGXZYKISL-CQSZACIVSA-N 1 0 248.326 2.111 10 0 BEAERO CC[C@@]1([NH3+])CC=C(N)C=C1c1ccccc1 ZINC000100260249 171212881 /nfs/dbraw/zinc/21/28/81/171212881.db2.gz LBFMLNQGRLQAJP-CQSZACIVSA-N 1 0 214.312 2.424 10 0 BEAERO CC[C@@]1(c2nc3cc(F)ccc3[nH]2)CC[NH2+]C1 ZINC000062914941 171217206 /nfs/dbraw/zinc/21/72/06/171217206.db2.gz YVWGEZUEZVQHHR-CYBMUJFWSA-N 1 0 233.290 2.343 10 0 BEAERO CC[C@H](C)C[NH2+]Cc1cn2c(n1)CCCC2 ZINC000336750257 171286313 /nfs/dbraw/zinc/28/63/13/171286313.db2.gz ZJWHRCZSHHTUNN-NSHDSACASA-N 1 0 221.348 2.355 10 0 BEAERO CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)CC[NH+](C)C ZINC000104187004 171297015 /nfs/dbraw/zinc/29/70/15/171297015.db2.gz JWSUKMPMYDBUQL-KBPBESRZSA-N 1 0 243.439 2.024 10 0 BEAERO CC[C@H](C)N(CC[NH3+])Cc1ccccc1F ZINC000032014858 171313632 /nfs/dbraw/zinc/31/36/32/171313632.db2.gz XNUQFWJJXFEXRD-NSHDSACASA-N 1 0 224.323 2.385 10 0 BEAERO CC[C@H](C)N(CCOC)c1ccc(C(N)=[NH2+])cc1 ZINC000042583933 171314829 /nfs/dbraw/zinc/31/48/29/171314829.db2.gz VANJDZNVCDUWKZ-NSHDSACASA-N 1 0 249.358 2.222 10 0 BEAERO CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042862657 171326207 /nfs/dbraw/zinc/32/62/07/171326207.db2.gz GUCQZGDHKKEEIG-RWMBFGLXSA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1ccccc1C ZINC000057537260 171327195 /nfs/dbraw/zinc/32/71/95/171327195.db2.gz KXHSVJLOIYEUKH-STQMWFEESA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1cccc(C)c1 ZINC000057537275 171327559 /nfs/dbraw/zinc/32/75/59/171327559.db2.gz NTLILDDLUSYVKI-JSGCOSHPSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339515308 171332671 /nfs/dbraw/zinc/33/26/71/171332671.db2.gz KLEGBFHLULVPLV-WDEREUQCSA-N 1 0 226.364 2.068 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000020036580 171338830 /nfs/dbraw/zinc/33/88/30/171338830.db2.gz DVJKGGSUCBYTEK-VIFPVBQESA-N 1 0 224.279 2.152 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037617362 171339805 /nfs/dbraw/zinc/33/98/05/171339805.db2.gz CEIQBLIXCXOSCP-ONGXEEELSA-N 1 0 238.331 2.153 10 0 BEAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc(F)c(N)c1 ZINC000098126422 171340549 /nfs/dbraw/zinc/34/05/49/171340549.db2.gz LOHRSXVPXXKLAQ-VIFPVBQESA-N 1 0 238.306 2.369 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H]1CNc2ccccc2O1 ZINC000040408027 171340789 /nfs/dbraw/zinc/34/07/89/171340789.db2.gz IEOAPYXBAQSXEW-WDEREUQCSA-N 1 0 220.316 2.248 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](O)c1ccccc1OC ZINC000032014517 171342167 /nfs/dbraw/zinc/34/21/67/171342167.db2.gz YYAVNFDQCFRVPU-JQWIXIFHSA-N 1 0 223.316 2.117 10 0 BEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(C)cc1C ZINC000038065547 171347504 /nfs/dbraw/zinc/34/75/04/171347504.db2.gz NQWHABYWCJGJPS-SWLSCSKDSA-N 1 0 248.370 2.392 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000019486810 171370532 /nfs/dbraw/zinc/37/05/32/171370532.db2.gz PUIUEWYDEUIXQN-NNYUYHANSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cn1 ZINC000077558694 171372270 /nfs/dbraw/zinc/37/22/70/171372270.db2.gz OZETUAZHRHYOMV-OIBJUYFYSA-N 1 0 241.722 2.047 10 0 BEAERO CC[C@H](C)[C@@](C)([NH3+])c1noc(C(F)(F)F)n1 ZINC000037745415 171382251 /nfs/dbraw/zinc/38/22/51/171382251.db2.gz OIRXQORZAUWMLA-YLWLKBPMSA-N 1 0 237.225 2.308 10 0 BEAERO CC[C@H](C)[C@@](C)([NH3+])c1noc(C(C)C)n1 ZINC000037745400 171382313 /nfs/dbraw/zinc/38/23/13/171382313.db2.gz OBTJEHSGZGPSEK-GZMMTYOYSA-N 1 0 211.309 2.413 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000360014113 171390048 /nfs/dbraw/zinc/39/00/48/171390048.db2.gz ILBKASAITFPKFN-SDDRHHMPSA-N 1 0 221.348 2.222 10 0 BEAERO CC[C@H](C)[C@H](C[NH3+])N1CCc2sccc2C1 ZINC000037227982 171392180 /nfs/dbraw/zinc/39/21/80/171392180.db2.gz QTPZBRXKVSMOBH-JQWIXIFHSA-N 1 0 238.400 2.480 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000042494726 171393185 /nfs/dbraw/zinc/39/31/85/171393185.db2.gz IXXRPJONFAAAKV-CYDGBPFRSA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000037806864 171393368 /nfs/dbraw/zinc/39/33/68/171393368.db2.gz JMAZYJQNTUHYKK-RVMXOQNASA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H](N)C[NH+]1CCC(C)(C)CC1 ZINC000061822623 171396709 /nfs/dbraw/zinc/39/67/09/171396709.db2.gz VQBJGTZYSDBTLI-NWDGAFQWSA-N 1 0 212.381 2.482 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689311 171396932 /nfs/dbraw/zinc/39/69/32/171396932.db2.gz NJCPRKJMLINQJM-SGMGOOAPSA-N 1 0 242.407 2.107 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])CN1CCc2ccccc2C1 ZINC000019852497 171397039 /nfs/dbraw/zinc/39/70/39/171397039.db2.gz BJIGXIJBLGDALS-SWLSCSKDSA-N 1 0 232.371 2.418 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nncn1-c1ccccc1 ZINC000019508788 171397655 /nfs/dbraw/zinc/39/76/55/171397655.db2.gz KZCUSOCGPITGQY-JQWIXIFHSA-N 1 0 230.315 2.313 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)c(C)c1 ZINC000662480091 412189979 /nfs/dbraw/zinc/18/99/79/412189979.db2.gz TVJQJCCHFUXPMS-JHJVBQTASA-N 1 0 246.354 2.218 10 0 BEAERO CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000042965353 171486995 /nfs/dbraw/zinc/48/69/95/171486995.db2.gz MEVMUZYNHLFRBC-LSDHHAIUSA-N 1 0 248.370 2.106 10 0 BEAERO CCC[C@@H]1C[C@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662517110 412202805 /nfs/dbraw/zinc/20/28/05/412202805.db2.gz QVIHGFBVBBNTCY-QMTHXVAHSA-N 1 0 244.338 2.208 10 0 BEAERO CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336772995 171561129 /nfs/dbraw/zinc/56/11/29/171561129.db2.gz YILBEHUTQFWKBI-GRYCIOLGSA-N 1 0 217.328 2.265 10 0 BEAERO CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336772996 171561611 /nfs/dbraw/zinc/56/16/11/171561611.db2.gz YILBEHUTQFWKBI-SDDRHHMPSA-N 1 0 217.328 2.265 10 0 BEAERO CC[C@H]1CN(Cc2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000071343458 171661686 /nfs/dbraw/zinc/66/16/86/171661686.db2.gz LLWRNGJVQVJKKU-RISCZKNCSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@H]1CN(Cc2cccnc2)[C@H](C(C)C)C[NH2+]1 ZINC000083377719 171662431 /nfs/dbraw/zinc/66/24/31/171662431.db2.gz GLQFEYPXKBGDNV-GJZGRUSLSA-N 1 0 247.386 2.290 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC(C)(C1CC1)C1CC1 ZINC000662915811 412344485 /nfs/dbraw/zinc/34/44/85/412344485.db2.gz PEJBJGYSEFFYGS-GFCCVEGCSA-N 1 0 238.375 2.055 10 0 BEAERO CCc1ccc(C(=O)N(CC)C[C@@H](C)C[NH3+])cc1 ZINC000042441673 171784056 /nfs/dbraw/zinc/78/40/56/171784056.db2.gz FLIGOKZPIWVASG-LBPRGKRZSA-N 1 0 248.370 2.306 10 0 BEAERO CCCc1nccnc1N[C@H](C)CCCC[NH3+] ZINC000663274304 412404602 /nfs/dbraw/zinc/40/46/02/412404602.db2.gz MPEVOHXLZXPYKW-LLVKDONJSA-N 1 0 236.363 2.359 10 0 BEAERO CCc1csc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663275081 412405459 /nfs/dbraw/zinc/40/54/59/412405459.db2.gz BQHYRKGEIYNZBD-SNVBAGLBSA-N 1 0 227.377 2.491 10 0 BEAERO CCCc1nsc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663275580 412405788 /nfs/dbraw/zinc/40/57/88/412405788.db2.gz KABWZYYMDJBOBE-SECBINFHSA-N 1 0 242.392 2.276 10 0 BEAERO CCc1ccc(C[NH2+]CCCC(=O)OC)cc1 ZINC000037416050 171805169 /nfs/dbraw/zinc/80/51/69/171805169.db2.gz LASWGAVJDOIJSV-UHFFFAOYSA-N 1 0 235.327 2.292 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282508337 171810012 /nfs/dbraw/zinc/81/00/12/171810012.db2.gz XGFYARUJUFSVNQ-BXUZGUMPSA-N 1 0 246.354 2.006 10 0 BEAERO CCc1ccc(SC[C@H](O)CC[NH3+])cc1 ZINC000019687054 171829037 /nfs/dbraw/zinc/82/90/37/171829037.db2.gz PRKSHOQJSFOAJD-LLVKDONJSA-N 1 0 225.357 2.051 10 0 BEAERO CCc1ccc([C@@]2(CC)C[C@]2(C[NH3+])CO)cc1 ZINC000070553625 171837745 /nfs/dbraw/zinc/83/77/45/171837745.db2.gz GHAQQYGCKGECKQ-LSDHHAIUSA-N 1 0 233.355 2.238 10 0 BEAERO CCc1ccc([C@H](C)[NH2+]C[C@H](C)C(N)=O)cc1 ZINC000038012732 171839790 /nfs/dbraw/zinc/83/97/90/171839790.db2.gz SGURTIXEKYFJIC-QWRGUYRKSA-N 1 0 234.343 2.021 10 0 BEAERO CCc1ccc([C@H]2OCC[NH2+][C@@H]2C)cc1 ZINC000037224394 171845212 /nfs/dbraw/zinc/84/52/12/171845212.db2.gz GXIBZQIMXQABJO-MFKMUULPSA-N 1 0 205.301 2.298 10 0 BEAERO CCc1cccc(C)c1NC(=O)[C@H](C)CC[NH3+] ZINC000076616560 171853894 /nfs/dbraw/zinc/85/38/94/171853894.db2.gz WJVLHXBCPKJSPX-LLVKDONJSA-N 1 0 234.343 2.481 10 0 BEAERO CCC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CCC1 ZINC000225810998 487623510 /nfs/dbraw/zinc/62/35/10/487623510.db2.gz RLPTVLVLCCCXBS-LLVKDONJSA-N 1 0 226.364 2.056 10 0 BEAERO CCc1csc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000069727540 171930042 /nfs/dbraw/zinc/93/00/42/171930042.db2.gz AJYUQDFLIQHCIB-KOLCDFICSA-N 1 0 239.388 2.269 10 0 BEAERO CCc1csc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000061894860 171932921 /nfs/dbraw/zinc/93/29/21/171932921.db2.gz RDFDMOWMLBYJTG-VIFPVBQESA-N 1 0 225.361 2.117 10 0 BEAERO CCc1csc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000335579875 171932951 /nfs/dbraw/zinc/93/29/51/171932951.db2.gz JWHZKHWKGQRYST-PSASIEDQSA-N 1 0 225.361 2.387 10 0 BEAERO CCc1nc(N2CCCC2)sc1C[NH2+]C ZINC000054995159 171997752 /nfs/dbraw/zinc/99/77/52/171997752.db2.gz LEAQARZDIKYFPK-UHFFFAOYSA-N 1 0 225.361 2.025 10 0 BEAERO CCc1nc([C@H]([NH3+])[C@@H]2CCOC2)sc1C ZINC000041060238 172007490 /nfs/dbraw/zinc/00/74/90/172007490.db2.gz OJJJUZPGIMPQRP-PSASIEDQSA-N 1 0 226.345 2.050 10 0 BEAERO CCc1nc([C@H]([NH3+])[C@H]2CCOC2)sc1C ZINC000041060240 172007538 /nfs/dbraw/zinc/00/75/38/172007538.db2.gz OJJJUZPGIMPQRP-WCBMZHEXSA-N 1 0 226.345 2.050 10 0 BEAERO CCc1nc2cccc([C@@H]3C[C@@H]3C[NH3+])c2o1 ZINC000145315747 172013167 /nfs/dbraw/zinc/01/31/67/172013167.db2.gz DGNSJDGKBFYVPO-PSASIEDQSA-N 1 0 216.284 2.452 10 0 BEAERO CCc1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000037924635 172019078 /nfs/dbraw/zinc/01/90/78/172019078.db2.gz QTYMNYQWEUSXKS-ZJUUUORDSA-N 1 0 240.372 2.099 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042967869 172029341 /nfs/dbraw/zinc/02/93/41/172029341.db2.gz PSAZALLYWBAQEG-ZDUSSCGKSA-N 1 0 229.327 2.302 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1ccsc1 ZINC000043124264 172029835 /nfs/dbraw/zinc/02/98/35/172029835.db2.gz JGANZEPDCDBKFW-JTQLQIEISA-N 1 0 221.329 2.055 10 0 BEAERO CCc1nccn1[C@H]1CCCC[C@H]1C[NH3+] ZINC000042419623 172030034 /nfs/dbraw/zinc/03/00/34/172030034.db2.gz JVWZJRRXJXKBCM-QWRGUYRKSA-N 1 0 207.321 2.136 10 0 BEAERO CCn1c(C)[nH+]c(Cc2ccccc2)c1N ZINC000105032755 172137717 /nfs/dbraw/zinc/13/77/17/172137717.db2.gz BDGUQRRUXFEUPD-UHFFFAOYSA-N 1 0 215.300 2.384 10 0 BEAERO CCn1c(CCC[NH2+]C(C)C)nc2cccnc21 ZINC000104320217 172143431 /nfs/dbraw/zinc/14/34/31/172143431.db2.gz FNFNGWURHZWKEW-UHFFFAOYSA-N 1 0 246.358 2.382 10 0 BEAERO CCn1c(C[NH2+]C)nc2cc(C)c(C)cc21 ZINC000022864062 172144634 /nfs/dbraw/zinc/14/46/34/172144634.db2.gz HWIMEHZAJCHUNX-UHFFFAOYSA-N 1 0 217.316 2.392 10 0 BEAERO CCn1c2ccccc2nc1CC[NH2+]C1CC1 ZINC000037599438 172145241 /nfs/dbraw/zinc/14/52/41/172145241.db2.gz KNRHLCBQPYPFOA-UHFFFAOYSA-N 1 0 229.327 2.351 10 0 BEAERO CCn1c2ccc(F)cc2nc1[C@@H](C)C[NH3+] ZINC000054334285 172147763 /nfs/dbraw/zinc/14/77/63/172147763.db2.gz XQPBVTVLJHEJML-QMMMGPOBSA-N 1 0 221.279 2.258 10 0 BEAERO CCn1cc(-c2csc(C(C)(C)[NH3+])n2)cn1 ZINC000044495458 172149103 /nfs/dbraw/zinc/14/91/03/172149103.db2.gz BXTZHRBOFQIQHS-UHFFFAOYSA-N 1 0 236.344 2.220 10 0 BEAERO CCn1cc(CN2CC[NH2+]CC2)c2ccccc21 ZINC000038086766 172166126 /nfs/dbraw/zinc/16/61/26/172166126.db2.gz ZDBWOUYKMHQALG-UHFFFAOYSA-N 1 0 243.354 2.066 10 0 BEAERO CCn1cc(C[C@@]2([NH3+])CCC[C@H](C)C2)cn1 ZINC000050541567 172176629 /nfs/dbraw/zinc/17/66/29/172176629.db2.gz AYCRXEGJJSDASE-WCQYABFASA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@H]([NH3+])c2cccc(F)c2)cn1 ZINC000050542339 172177175 /nfs/dbraw/zinc/17/71/75/172177175.db2.gz VVKWNODCJNWSNL-ZDUSSCGKSA-N 1 0 233.290 2.285 10 0 BEAERO CCn1cc(N[C@H](C)[C@H]2CCC[N@H+](C)C2)cn1 ZINC000035779810 172188619 /nfs/dbraw/zinc/18/86/19/172188619.db2.gz BUCOPUWUESZOBB-NEPJUHHUSA-N 1 0 236.363 2.045 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2cc(F)ccc2C)cn1 ZINC000052139145 172193925 /nfs/dbraw/zinc/19/39/25/172193925.db2.gz ROHJJWKADJIAJL-CYBMUJFWSA-N 1 0 233.290 2.399 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2cccc(F)c2)cn1 ZINC000043468957 172194571 /nfs/dbraw/zinc/19/45/71/172194571.db2.gz QEEYEEXKIWRIIW-LBPRGKRZSA-N 1 0 219.263 2.090 10 0 BEAERO CCn1cc([C@@H]2CCCC[C@@H]2[NH2+]C)cn1 ZINC000060715336 172195765 /nfs/dbraw/zinc/19/57/65/172195765.db2.gz SZMKMILTQALBML-RYUDHWBXSA-N 1 0 207.321 2.149 10 0 BEAERO CCn1cc([C@@H]2CCCC[C@H]2[NH2+]C)cn1 ZINC000060715342 172196283 /nfs/dbraw/zinc/19/62/83/172196283.db2.gz SZMKMILTQALBML-NWDGAFQWSA-N 1 0 207.321 2.149 10 0 BEAERO CCn1cc([C@H]([NH3+])c2cc(F)ccc2C)cn1 ZINC000052139142 172199587 /nfs/dbraw/zinc/19/95/87/172199587.db2.gz ROHJJWKADJIAJL-ZDUSSCGKSA-N 1 0 233.290 2.399 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000091023363 172207144 /nfs/dbraw/zinc/20/71/44/172207144.db2.gz BHTROQBHMCJFHT-OAHLLOKOSA-N 1 0 244.338 2.331 10 0 BEAERO CCn1cccc1C[NH2+]CCCc1c[nH]nc1C ZINC000091127606 172207147 /nfs/dbraw/zinc/20/71/47/172207147.db2.gz KVBYYQOESLLGQV-UHFFFAOYSA-N 1 0 246.358 2.262 10 0 BEAERO CCn1cccc1C[NH2+]CCCOCC1CC1 ZINC000091023122 172207467 /nfs/dbraw/zinc/20/74/67/172207467.db2.gz DCAGEHABBDKJEL-UHFFFAOYSA-N 1 0 236.359 2.414 10 0 BEAERO CCn1cccc1C[NH2+]CCCCCOC ZINC000234189900 172207921 /nfs/dbraw/zinc/20/79/21/172207921.db2.gz OYFAMFDKNMBOAI-UHFFFAOYSA-N 1 0 224.348 2.414 10 0 BEAERO CCn1cccc1C[NH2+]CC1(C)CCOCC1 ZINC000234189255 172208166 /nfs/dbraw/zinc/20/81/66/172208166.db2.gz FBSHQAZBHHKQMW-UHFFFAOYSA-N 1 0 236.359 2.414 10 0 BEAERO CCn1cc[nH+]c1NCc1ccc(C)nc1 ZINC000062054836 172227918 /nfs/dbraw/zinc/22/79/18/172227918.db2.gz VRMSPOWCOYADAL-UHFFFAOYSA-N 1 0 216.288 2.219 10 0 BEAERO CCn1ccnc1[C@@H]([NH2+]C)c1cccs1 ZINC000041048684 172228927 /nfs/dbraw/zinc/22/89/27/172228927.db2.gz OUTYYOXKWRSLPB-JTQLQIEISA-N 1 0 221.329 2.273 10 0 BEAERO CCn1nccc1C[NH2+]CC1(C)CCC1 ZINC000119494777 172269458 /nfs/dbraw/zinc/26/94/58/172269458.db2.gz FEWDAMVCAAVLOA-UHFFFAOYSA-N 1 0 207.321 2.183 10 0 BEAERO CN(C(=O)OCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000054965262 172325355 /nfs/dbraw/zinc/32/53/55/172325355.db2.gz QJBVAVPQTNRWIH-CYBMUJFWSA-N 1 0 248.326 2.355 10 0 BEAERO CN(C(=O)[C@H]([NH3+])C(C)(C)C)c1ccccc1 ZINC000077488009 172332173 /nfs/dbraw/zinc/33/21/73/172332173.db2.gz JCZQIADGMPEGQW-NSHDSACASA-N 1 0 220.316 2.023 10 0 BEAERO CN(C)C(C)(C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309928624 172396346 /nfs/dbraw/zinc/39/63/46/172396346.db2.gz WUSMWLNVMGGBIO-RYUDHWBXSA-N 1 0 230.371 2.445 10 0 BEAERO C[NH+](C)CCCC(=O)c1ccc(F)cc1 ZINC000013832613 172426721 /nfs/dbraw/zinc/42/67/21/172426721.db2.gz XFRVODFWEKRMLZ-UHFFFAOYSA-N 1 0 209.264 2.350 10 0 BEAERO C[NH+](C)[C@H]1CCc2[nH]c3ccc(O)cc3c2C1 ZINC000003649998 172541347 /nfs/dbraw/zinc/54/13/47/172541347.db2.gz ZQUXUQXIXIVEQA-VIFPVBQESA-N 1 0 230.311 2.292 10 0 BEAERO CN(C)c1ccc(C[C@@H]2CCC[NH2+]2)cc1 ZINC000074368935 172554442 /nfs/dbraw/zinc/55/44/42/172554442.db2.gz OCCVZOIDCKDVEN-LBPRGKRZSA-N 1 0 204.317 2.047 10 0 BEAERO CN(C[C@@H]1CCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000104317699 172816190 /nfs/dbraw/zinc/81/61/90/172816190.db2.gz XWGUXANVOODFJC-LSDHHAIUSA-N 1 0 244.382 2.400 10 0 BEAERO CN(Cc1ccc(F)cc1)c1cccc(C[NH3+])n1 ZINC000051398111 172853233 /nfs/dbraw/zinc/85/32/33/172853233.db2.gz OXSULGLYKCIBDN-UHFFFAOYSA-N 1 0 245.301 2.316 10 0 BEAERO CN(Cc1ccco1)c1ccc(CC[NH3+])cc1 ZINC000019729571 172890593 /nfs/dbraw/zinc/89/05/93/172890593.db2.gz IBDUDFHPALKVSK-UHFFFAOYSA-N 1 0 230.311 2.417 10 0 BEAERO CN(Cc1cccs1)c1ncccc1C(N)=[NH2+] ZINC000035717592 172894498 /nfs/dbraw/zinc/89/44/98/172894498.db2.gz CBAZPIZDBVQRHA-UHFFFAOYSA-N 1 0 246.339 2.064 10 0 BEAERO CN(Cc1ccncc1)[C@@H](C[NH3+])c1cccs1 ZINC000036775792 172900169 /nfs/dbraw/zinc/90/01/69/172900169.db2.gz UDOWMENYKBPVTB-LBPRGKRZSA-N 1 0 247.367 2.275 10 0 BEAERO CN1CCC([NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000048436592 172994747 /nfs/dbraw/zinc/99/47/47/172994747.db2.gz RGQAPFCPIZQQKZ-UHFFFAOYSA-N 1 0 243.354 2.352 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1CNc1cc(Cl)ncn1 ZINC000044565934 173005044 /nfs/dbraw/zinc/00/50/44/173005044.db2.gz WOLZFEHVHCWASU-SECBINFHSA-N 1 0 240.738 2.026 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1CNc1ccc2cn[nH]c2c1 ZINC000054242480 173005650 /nfs/dbraw/zinc/00/56/50/173005650.db2.gz KBWDFODWSOYBTL-CYBMUJFWSA-N 1 0 244.342 2.459 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000040673500 173020859 /nfs/dbraw/zinc/02/08/59/173020859.db2.gz CDBQPZAYNROGBZ-SNVBAGLBSA-N 1 0 225.723 2.241 10 0 BEAERO C[N@@H+]1CC[C@@H](CNCc2ccccc2Cl)C1 ZINC000037484568 173116770 /nfs/dbraw/zinc/11/67/70/173116770.db2.gz WXWXWTBUNOZDSG-NSHDSACASA-N 1 0 238.762 2.381 10 0 BEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000069798945 173119432 /nfs/dbraw/zinc/11/94/32/173119432.db2.gz YSPYNRIBDIUMEQ-MNOVXSKESA-N 1 0 210.708 2.044 10 0 BEAERO CN1CC[C@@H]([NH3+])Cc2cccc(Cl)c21 ZINC000082952746 173119832 /nfs/dbraw/zinc/11/98/32/173119832.db2.gz AHOXBEKIBNURCW-SECBINFHSA-N 1 0 210.708 2.050 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000042548232 173125955 /nfs/dbraw/zinc/12/59/55/173125955.db2.gz UKPHLJFMPICURU-MRVPVSSYSA-N 1 0 245.248 2.216 10 0 BEAERO CN1CC[C@@H]([NH2+][C@@H]2CSCc3ccccc32)C1 ZINC000042545985 173126124 /nfs/dbraw/zinc/12/61/24/173126124.db2.gz SVZULZVHRHRBEM-TZMCWYRMSA-N 1 0 248.395 2.268 10 0 BEAERO C[N@@H+]1CC[C@H](CNc2ccc(Cl)cn2)C1 ZINC000037485177 173147727 /nfs/dbraw/zinc/14/77/27/173147727.db2.gz LRUHBJIGHJLDNU-SECBINFHSA-N 1 0 225.723 2.099 10 0 BEAERO CN1CC[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000069798940 173149074 /nfs/dbraw/zinc/14/90/74/173149074.db2.gz YSPYNRIBDIUMEQ-QWRGUYRKSA-N 1 0 210.708 2.044 10 0 BEAERO CN1C[C@@H](CC[NH3+])c2cc(Cl)ccc21 ZINC000071483989 173183722 /nfs/dbraw/zinc/18/37/22/173183722.db2.gz DGUKDMSAEZWBOY-MRVPVSSYSA-N 1 0 210.708 2.222 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2)C1 ZINC000061984637 173155206 /nfs/dbraw/zinc/15/52/06/173155206.db2.gz LVFARQMBEKPLTC-NSHDSACASA-N 1 0 210.708 2.456 10 0 BEAERO CN1Cc2c(ccc(Cl)c2Cl)[C@@H]1C[NH3+] ZINC000082702945 173199223 /nfs/dbraw/zinc/19/92/23/173199223.db2.gz UHNSOARRTSENCU-VIFPVBQESA-N 1 0 231.126 2.439 10 0 BEAERO CN1Cc2c(cc(Cl)cc2Cl)[C@@H]1C[NH3+] ZINC000082702853 173199995 /nfs/dbraw/zinc/19/99/95/173199995.db2.gz PSHCKSGTMGYJOU-JTQLQIEISA-N 1 0 231.126 2.439 10 0 BEAERO CN1Cc2c(ccc(Cl)c2Cl)[C@H]1C[NH3+] ZINC000082702946 173200042 /nfs/dbraw/zinc/20/00/42/173200042.db2.gz UHNSOARRTSENCU-SECBINFHSA-N 1 0 231.126 2.439 10 0 BEAERO CN1[C@@H]2CC[C@H]1Cc1nc([C@@H]3CCC[NH2+]3)sc12 ZINC000053251350 173207105 /nfs/dbraw/zinc/20/71/05/173207105.db2.gz XFTPMUWQCLSUJX-ATZCPNFKSA-N 1 0 249.383 2.259 10 0 BEAERO CNC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000037207591 173278593 /nfs/dbraw/zinc/27/85/93/173278593.db2.gz JKBUEZMPXWYBAF-LLVKDONJSA-N 1 0 242.322 2.236 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)C1CCC(C)CC1 ZINC000061317105 173317873 /nfs/dbraw/zinc/31/78/73/173317873.db2.gz ZDTAWXDGZRNFPA-UHFFFAOYSA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000061318825 173317996 /nfs/dbraw/zinc/31/79/96/173317996.db2.gz OJFBFFOWKULLKA-WDEREUQCSA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000061318867 173318204 /nfs/dbraw/zinc/31/82/04/173318204.db2.gz GNMJTAFYGYJMMK-SECBINFHSA-N 1 0 240.372 2.232 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccccc1C ZINC000061318643 173318367 /nfs/dbraw/zinc/31/83/67/173318367.db2.gz WHYDESJSLNWICN-NSHDSACASA-N 1 0 234.343 2.170 10 0 BEAERO C[NH2+]C(C)(C)CN1Cc2ccccc2C1 ZINC000061319830 173319230 /nfs/dbraw/zinc/31/92/30/173319230.db2.gz SNYWJAGQWGGQSL-UHFFFAOYSA-N 1 0 204.317 2.000 10 0 BEAERO C[NH2+]C(C)(C)c1nc2cc(F)c(F)cc2[nH]1 ZINC000061149791 173321159 /nfs/dbraw/zinc/32/11/59/173321159.db2.gz AGHGEZMDTGIXJC-UHFFFAOYSA-N 1 0 225.242 2.296 10 0 BEAERO C[NH2+]C1CCN(C(=O)CCC2CCCC2)CC1 ZINC000037536493 173323160 /nfs/dbraw/zinc/32/31/60/173323160.db2.gz MNPDWRUBJXEESY-UHFFFAOYSA-N 1 0 238.375 2.167 10 0 BEAERO C[NH2+]C1CCN(Cc2cc(F)ccc2F)CC1 ZINC000043458561 173323215 /nfs/dbraw/zinc/32/32/15/173323215.db2.gz FQENBBXRMCBIFM-UHFFFAOYSA-N 1 0 240.297 2.149 10 0 BEAERO C[NH2+]C1CCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000037536412 173323286 /nfs/dbraw/zinc/32/32/86/173323286.db2.gz SVFRHSIOWRGCKI-UHFFFAOYSA-N 1 0 246.354 2.127 10 0 BEAERO C[NH2+]C1CCN([C@@H](C)c2ccco2)CC1 ZINC000035739391 173324343 /nfs/dbraw/zinc/32/43/43/173324343.db2.gz WDLKBNSWKLZEQG-JTQLQIEISA-N 1 0 208.305 2.024 10 0 BEAERO C[NH2+]CC(C)(C)Oc1ccc(CCOC)cc1 ZINC000051957995 173336753 /nfs/dbraw/zinc/33/67/53/173336753.db2.gz XLUOKTDZNULPTF-UHFFFAOYSA-N 1 0 237.343 2.252 10 0 BEAERO C[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000055027209 173338015 /nfs/dbraw/zinc/33/80/15/173338015.db2.gz OSYJPRIDMGRBHY-UHFFFAOYSA-N 1 0 219.328 2.295 10 0 BEAERO C[NH2+]CC1(Cc2cnc(C)s2)CCOCC1 ZINC000062337797 173338196 /nfs/dbraw/zinc/33/81/96/173338196.db2.gz UCHPBKUADFYMAO-UHFFFAOYSA-N 1 0 240.372 2.010 10 0 BEAERO C[NH2+]CC1(c2ccccc2C)CCOCC1 ZINC000053738002 173338553 /nfs/dbraw/zinc/33/85/53/173338553.db2.gz DQFSMTIHOGXLAC-UHFFFAOYSA-N 1 0 219.328 2.263 10 0 BEAERO C[NH2+]CC1(c2ccccc2F)CCOCC1 ZINC000053738602 173338915 /nfs/dbraw/zinc/33/89/15/173338915.db2.gz DOFYVYFRFZBGOX-UHFFFAOYSA-N 1 0 223.291 2.093 10 0 BEAERO C[NH2+]CCCCCC(=O)N1CCc2ccccc21 ZINC000077403284 173345147 /nfs/dbraw/zinc/34/51/47/173345147.db2.gz KGFIDTNFNBWOCY-UHFFFAOYSA-N 1 0 246.354 2.356 10 0 BEAERO C[NH2+]CCCc1nc2ccccc2s1 ZINC000036925182 173351576 /nfs/dbraw/zinc/35/15/76/173351576.db2.gz GUTMPBNQCJMAQT-UHFFFAOYSA-N 1 0 206.314 2.448 10 0 BEAERO C[NH2+]CCO[C@H]1CCCc2ccccc21 ZINC000043498477 173356940 /nfs/dbraw/zinc/35/69/40/173356940.db2.gz IGPGZCSTCNFYHI-ZDUSSCGKSA-N 1 0 205.301 2.300 10 0 BEAERO C[NH2+]CC[C@@H](C)n1ncc2ccccc21 ZINC000052574129 173357425 /nfs/dbraw/zinc/35/74/25/173357425.db2.gz PPPQTXOOIUVSJR-SNVBAGLBSA-N 1 0 203.289 2.207 10 0 BEAERO C[NH2+]CC[C@H](C)Cc1ccccc1OC ZINC000041216357 173358074 /nfs/dbraw/zinc/35/80/74/173358074.db2.gz VRRHFWCLQNQMNA-NSHDSACASA-N 1 0 207.317 2.483 10 0 BEAERO C[NH2+]CC[C@H](C)c1cc(OC)ccc1OC ZINC000011630075 173358216 /nfs/dbraw/zinc/35/82/16/173358216.db2.gz HVFDDAHLBWVVSS-JTQLQIEISA-N 1 0 223.316 2.417 10 0 BEAERO C[NH2+]CCc1nc2ccc(C)cc2s1 ZINC000082933336 173361365 /nfs/dbraw/zinc/36/13/65/173361365.db2.gz LUCVAYRFQXQYFD-UHFFFAOYSA-N 1 0 206.314 2.367 10 0 BEAERO C[NH2+]CCc1nc2cc(OC)ccc2n1C1CC1 ZINC000076040123 173361435 /nfs/dbraw/zinc/36/14/35/173361435.db2.gz HWTKCYXYUCSOIN-UHFFFAOYSA-N 1 0 245.326 2.142 10 0 BEAERO C[NH2+]C[C@@H](C)n1cnc2cc(F)c(F)cc21 ZINC000053530976 173365214 /nfs/dbraw/zinc/36/52/14/173365214.db2.gz UVMARUSPVUYARA-SSDOTTSWSA-N 1 0 225.242 2.095 10 0 BEAERO C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037871868 173366126 /nfs/dbraw/zinc/36/61/26/173366126.db2.gz PGJYKUWYKVJKJC-CYBMUJFWSA-N 1 0 201.269 2.093 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1CCc1ccccc1 ZINC000042407797 173367121 /nfs/dbraw/zinc/36/71/21/173367121.db2.gz KAVZWKPJGLXOAA-HNNXBMFYSA-N 1 0 232.371 2.303 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(C)c(C)c2)C1 ZINC000011892154 173370236 /nfs/dbraw/zinc/37/02/36/173370236.db2.gz COFXGIJVHGTEJA-ZDUSSCGKSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000011892458 173370372 /nfs/dbraw/zinc/37/03/72/173370372.db2.gz LMZMYVHATAEZCK-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000011803622 173372559 /nfs/dbraw/zinc/37/25/59/173372559.db2.gz NAVMVNMPKVEBBF-SNVBAGLBSA-N 1 0 234.126 2.420 10 0 BEAERO C[NH2+]C[C@@](C)(O)Cc1ccc(C(C)(C)C)cc1 ZINC000019684551 173372586 /nfs/dbraw/zinc/37/25/86/173372586.db2.gz UYOWEDIRSJQYQZ-HNNXBMFYSA-N 1 0 235.371 2.497 10 0 BEAERO C[NH2+]C[C@H](C(C)C)n1cc(Br)cn1 ZINC000052577653 173373191 /nfs/dbraw/zinc/37/31/91/173373191.db2.gz QXYAFFAAWGYHGK-SECBINFHSA-N 1 0 246.152 2.062 10 0 BEAERO C[NH2+]C[C@@]1(Cc2cnc(C)s2)CCCOC1 ZINC000062337807 173373217 /nfs/dbraw/zinc/37/32/17/173373217.db2.gz VGRAEGZCQAHTBW-LBPRGKRZSA-N 1 0 240.372 2.010 10 0 BEAERO C[NH2+]C[C@H](C)Sc1ncnc2ccccc21 ZINC000053623400 173376048 /nfs/dbraw/zinc/37/60/48/173376048.db2.gz YQCNHGUYJOMSLO-VIFPVBQESA-N 1 0 233.340 2.330 10 0 BEAERO C[NH2+]C[C@H](CCOC)Cc1ccc(OC)cc1 ZINC000052975827 173376144 /nfs/dbraw/zinc/37/61/44/173376144.db2.gz CRGZMZNDIBTMJK-CYBMUJFWSA-N 1 0 237.343 2.110 10 0 BEAERO C[NH2+]C[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000052373554 173376264 /nfs/dbraw/zinc/37/62/64/173376264.db2.gz JKXNYYUQSRRWIG-NSHDSACASA-N 1 0 212.381 2.352 10 0 BEAERO C[NH2+]C[C@H](C)Oc1ccc2ccccc2n1 ZINC000051867597 173376286 /nfs/dbraw/zinc/37/62/86/173376286.db2.gz QILMTECZNZLYOS-JTQLQIEISA-N 1 0 216.284 2.222 10 0 BEAERO C[NH2+]C[C@H](O)COc1cc(C(C)C)ccc1C ZINC000038052999 173376729 /nfs/dbraw/zinc/37/67/29/173376729.db2.gz SSNNVSORDVMKRW-ZDUSSCGKSA-N 1 0 237.343 2.078 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1CCOc1ccccc1 ZINC000043458245 173377810 /nfs/dbraw/zinc/37/78/10/173377810.db2.gz FODKTDRLLIEVLP-CQSZACIVSA-N 1 0 248.370 2.139 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1Cc1cccc(F)c1 ZINC000044412627 173378213 /nfs/dbraw/zinc/37/82/13/173378213.db2.gz YIWWSBUPGARXGJ-CQSZACIVSA-N 1 0 236.334 2.400 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cc(F)cc(F)c2)C1 ZINC000053012802 173381319 /nfs/dbraw/zinc/38/13/19/173381319.db2.gz PPJAXLXNTVLPEN-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccccc2C)C1 ZINC000011892124 173381655 /nfs/dbraw/zinc/38/16/55/173381655.db2.gz MPHQSKDNCHFPRH-GFCCVEGCSA-N 1 0 204.317 2.041 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000011892390 173382032 /nfs/dbraw/zinc/38/20/32/173382032.db2.gz FQEXWOVCMAJIOV-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@H]1C[C@@H](O)c2cc(Cl)ccc21 ZINC000057939198 173382689 /nfs/dbraw/zinc/38/26/89/173382689.db2.gz GYZGBMDGOBCTDW-RDDDGLTNSA-N 1 0 211.692 2.080 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccc(C(C)(C)C)cc1 ZINC000011803576 173383615 /nfs/dbraw/zinc/38/36/15/173383615.db2.gz XILSXFKDMUFBPG-AWEZNQCLSA-N 1 0 221.344 2.411 10 0 BEAERO C[NH2+]C[C@]1(Cc2ccc(F)cc2F)CCOC1 ZINC000054663897 173383697 /nfs/dbraw/zinc/38/36/97/173383697.db2.gz NMESKXQBVXUORU-CYBMUJFWSA-N 1 0 241.281 2.133 10 0 BEAERO C[NH2+]C[C@]1(O)CCC(C)(C)c2ccccc21 ZINC000055027405 173383699 /nfs/dbraw/zinc/38/36/99/173383699.db2.gz ROESEJTWGWZTME-CQSZACIVSA-N 1 0 219.328 2.165 10 0 BEAERO C[NH2+]Cc1c(C)noc1-c1cccs1 ZINC000077302074 173385248 /nfs/dbraw/zinc/38/52/48/173385248.db2.gz TZLDILGBINNXLG-UHFFFAOYSA-N 1 0 208.286 2.431 10 0 BEAERO C[NH2+]Cc1cc(-c2cc(C)ccc2C)n[nH]1 ZINC000050478982 173385299 /nfs/dbraw/zinc/38/52/99/173385299.db2.gz BPMGAYHZOHLULL-UHFFFAOYSA-N 1 0 215.300 2.413 10 0 BEAERO C[NH2+]Cc1cc(C)nc(-c2cccc(OC)c2)n1 ZINC000054830842 173386147 /nfs/dbraw/zinc/38/61/47/173386147.db2.gz XBCIMKPCZGETSY-UHFFFAOYSA-N 1 0 243.310 2.180 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1N(C)C(C)C ZINC000037236248 173386621 /nfs/dbraw/zinc/38/66/21/173386621.db2.gz WAVGPVVOZRDNPY-UHFFFAOYSA-N 1 0 210.296 2.390 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1N1CCCC1 ZINC000037235935 173386768 /nfs/dbraw/zinc/38/67/68/173386768.db2.gz JEAZZZGRMOZKMW-UHFFFAOYSA-N 1 0 208.280 2.145 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1N1CC[C@H](C)C1 ZINC000040723635 173386976 /nfs/dbraw/zinc/38/69/76/173386976.db2.gz QTEVUQNQVRNLLM-JTQLQIEISA-N 1 0 222.307 2.391 10 0 BEAERO C[NH2+]Cc1cc(OC)c(OC(F)F)c(OC)c1 ZINC000035121715 173387560 /nfs/dbraw/zinc/38/75/60/173387560.db2.gz DPALJGUJUAQOQP-UHFFFAOYSA-N 1 0 247.241 2.025 10 0 BEAERO C[NH2+]Cc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000037677785 173388048 /nfs/dbraw/zinc/38/80/48/173388048.db2.gz SYNFTJXBWXLACG-UHFFFAOYSA-N 1 0 219.263 2.039 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000036282571 173389707 /nfs/dbraw/zinc/38/97/07/173389707.db2.gz IHNAKUOSMMOENZ-UHFFFAOYSA-N 1 0 241.294 2.053 10 0 BEAERO C[NH2+]Cc1cccnc1N(C)CC1CCC1 ZINC000061485381 173390234 /nfs/dbraw/zinc/39/02/34/173390234.db2.gz NQQWFOGIENOZFU-UHFFFAOYSA-N 1 0 219.332 2.037 10 0 BEAERO C[NH2+]Cc1cccnc1N(C)Cc1ccoc1C ZINC000051520294 173391053 /nfs/dbraw/zinc/39/10/53/173391053.db2.gz NJSLVMMYZDTVHH-UHFFFAOYSA-N 1 0 245.326 2.339 10 0 BEAERO C[NH2+]Cc1ccnc(C2CCC(C)CC2)n1 ZINC000054791152 173391139 /nfs/dbraw/zinc/39/11/39/173391139.db2.gz XIFXOQCZAFBBHC-UHFFFAOYSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1cccnc1N(C)Cc1ccoc1 ZINC000051491898 173391627 /nfs/dbraw/zinc/39/16/27/173391627.db2.gz YETRCSHAFFCRQT-UHFFFAOYSA-N 1 0 231.299 2.030 10 0 BEAERO C[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000054855525 173392259 /nfs/dbraw/zinc/39/22/59/173392259.db2.gz YXDOIRCASHRUHN-UHFFFAOYSA-N 1 0 213.284 2.171 10 0 BEAERO C[NH2+]Cc1cnc(N2CCCCCC2)s1 ZINC000054900710 173392383 /nfs/dbraw/zinc/39/23/83/173392383.db2.gz HSEBLNQBUPFBKL-UHFFFAOYSA-N 1 0 225.361 2.243 10 0 BEAERO C[NH2+]Cc1cnc(N2CCC(C)(C)CC2)s1 ZINC000061823589 173392629 /nfs/dbraw/zinc/39/26/29/173392629.db2.gz YNDQIPBZNHDQFR-UHFFFAOYSA-N 1 0 239.388 2.489 10 0 BEAERO C[NH2+]Cc1cnn(C2CCCCC2)c1C ZINC000042355986 173392934 /nfs/dbraw/zinc/39/29/34/173392934.db2.gz DEYQBNUTTAPUQQ-UHFFFAOYSA-N 1 0 207.321 2.416 10 0 BEAERO C[NH2+]Cc1cnn(-c2ccccc2C)c1C ZINC000042355364 173393661 /nfs/dbraw/zinc/39/36/61/173393661.db2.gz GDVYCEIHQCTPAY-UHFFFAOYSA-N 1 0 215.300 2.209 10 0 BEAERO C[NH2+]Cc1nc(CN2CCCC[C@@H]2C)cs1 ZINC000052378459 173394227 /nfs/dbraw/zinc/39/42/27/173394227.db2.gz ZHEOCNFGPSVBAI-JTQLQIEISA-N 1 0 239.388 2.237 10 0 BEAERO C[NH2+]Cc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000052381041 173394933 /nfs/dbraw/zinc/39/49/33/173394933.db2.gz LLYCQUSUYMOPCY-SNVBAGLBSA-N 1 0 239.388 2.094 10 0 BEAERO C[NH2+]Cc1nc(CN2CCC(C)CC2)cs1 ZINC000052376799 173395821 /nfs/dbraw/zinc/39/58/21/173395821.db2.gz UZEDFZQMYVLFPH-UHFFFAOYSA-N 1 0 239.388 2.094 10 0 BEAERO C[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000082320563 173396420 /nfs/dbraw/zinc/39/64/20/173396420.db2.gz YDHJTMAHTJGVBR-UHFFFAOYSA-N 1 0 208.286 2.024 10 0 BEAERO C[NH2+]Cc1nc2ccc(F)cc2n1C(C)C ZINC000052124982 173396720 /nfs/dbraw/zinc/39/67/20/173396720.db2.gz PIVPPUBWCCSYSA-UHFFFAOYSA-N 1 0 221.279 2.476 10 0 BEAERO C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000062533296 173396865 /nfs/dbraw/zinc/39/68/65/173396865.db2.gz WTRFKCJYSFULGU-UHFFFAOYSA-N 1 0 241.088 2.310 10 0 BEAERO C[NH2+]Cc1nnc(-c2ccc(Cl)cc2F)o1 ZINC000050615344 173397139 /nfs/dbraw/zinc/39/71/39/173397139.db2.gz OAANYNGMBPHTBO-UHFFFAOYSA-N 1 0 241.653 2.249 10 0 BEAERO C[NH2+]Cc1occc1CN(C)Cc1ccccn1 ZINC000052478809 173399585 /nfs/dbraw/zinc/39/95/85/173399585.db2.gz JIJXMUIETLWYDC-UHFFFAOYSA-N 1 0 245.326 2.026 10 0 BEAERO C[NH2+][C@@H](Cc1cccs1)C1CCOCC1 ZINC000061672909 173425819 /nfs/dbraw/zinc/42/58/19/173425819.db2.gz CDMMWJYTRQEALD-LBPRGKRZSA-N 1 0 225.357 2.305 10 0 BEAERO C[NH2+][C@@H](Cc1cccs1)[C@@H]1CCCOC1 ZINC000062237372 173426074 /nfs/dbraw/zinc/42/60/74/173426074.db2.gz ASAQPRUYPMNZIH-PWSUYJOCSA-N 1 0 225.357 2.305 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1 ZINC000037483461 173437594 /nfs/dbraw/zinc/43/75/94/173437594.db2.gz IRKITRPNRJOWML-SECBINFHSA-N 1 0 210.708 2.138 10 0 BEAERO C[NH2+][C@@H]1COc2c1cc(F)cc2Br ZINC000035655194 173438490 /nfs/dbraw/zinc/43/84/90/173438490.db2.gz OCOINBRNMSDDPT-MRVPVSSYSA-N 1 0 246.079 2.241 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000054075284 173444443 /nfs/dbraw/zinc/44/44/43/173444443.db2.gz QDJRIEWSDYYGKM-YPMHNXCESA-N 1 0 238.375 2.166 10 0 BEAERO C[NH2+][C@H](C)[C@H](O)c1ccc(Cl)c(C)c1 ZINC000071692642 173447994 /nfs/dbraw/zinc/44/79/94/173447994.db2.gz GEHABXCOEGADOJ-KCJUWKMLSA-N 1 0 213.708 2.290 10 0 BEAERO C[NH2+][C@H](CO[C@@H]1CCOC1)c1ccc(C)cc1C ZINC000104101474 173452392 /nfs/dbraw/zinc/45/23/92/173452392.db2.gz GRUUPRLBJJSZMR-UKRRQHHQSA-N 1 0 249.354 2.369 10 0 BEAERO C[NH2+][C@@H](Cc1ncc[nH]1)Cc1ccc(C)cc1 ZINC000035503562 173453563 /nfs/dbraw/zinc/45/35/63/173453563.db2.gz OPEGCQFHLVLRFT-CYBMUJFWSA-N 1 0 229.327 2.091 10 0 BEAERO C[NH2+][C@H](Cc1ccsc1)[C@H]1CCCOC1 ZINC000062237195 173454678 /nfs/dbraw/zinc/45/46/78/173454678.db2.gz QTQWKBPSSURCBQ-NWDGAFQWSA-N 1 0 225.357 2.305 10 0 BEAERO C[NH2+][C@H](Cn1cnc(C)c1C)C(C)(C)C ZINC000051926328 173455350 /nfs/dbraw/zinc/45/53/50/173455350.db2.gz RAMOLDPZOWEXEK-LLVKDONJSA-N 1 0 209.337 2.134 10 0 BEAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(N(C)C)sc21 ZINC000054901282 173459647 /nfs/dbraw/zinc/45/96/47/173459647.db2.gz JHLNCFHBJPSLEL-QMMMGPOBSA-N 1 0 239.388 2.442 10 0 BEAERO C[NH2+][C@H]1CCN([C@@H](C)c2ccsc2)C1 ZINC000061363803 173466085 /nfs/dbraw/zinc/46/60/85/173466085.db2.gz KGZSSFFLSHTAAE-ONGXEEELSA-N 1 0 210.346 2.103 10 0 BEAERO COC(=O)CCC[NH2+]Cc1cccc(C)c1C ZINC000043314160 173541724 /nfs/dbraw/zinc/54/17/24/173541724.db2.gz SUWNTBDOWFBHII-UHFFFAOYSA-N 1 0 235.327 2.346 10 0 BEAERO COC(=O)CC[C@@H]([NH3+])Cc1cc(C)cc(C)c1 ZINC000061893358 173564775 /nfs/dbraw/zinc/56/47/75/173564775.db2.gz AMEUZZQARQODTH-CYBMUJFWSA-N 1 0 235.327 2.126 10 0 BEAERO COC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000061893263 173565779 /nfs/dbraw/zinc/56/57/79/173565779.db2.gz PGGHXJSPFWPOBV-LLVKDONJSA-N 1 0 213.321 2.237 10 0 BEAERO COC1CC[NH+](C2(CN)CCC(C)CC2)CC1 ZINC000037265976 174029213 /nfs/dbraw/zinc/02/92/13/174029213.db2.gz NNAVIZYFKBUVRA-UHFFFAOYSA-N 1 0 240.391 2.005 10 0 BEAERO COCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000103226630 174177644 /nfs/dbraw/zinc/17/76/44/174177644.db2.gz XCCGVGOTAFCVGT-UONOGXRCSA-N 1 0 241.375 2.447 10 0 BEAERO COCCCC[NH2+]CCCOc1ccccc1 ZINC000061815759 174200272 /nfs/dbraw/zinc/20/02/72/174200272.db2.gz WTDXDTXGAHAPJO-UHFFFAOYSA-N 1 0 237.343 2.472 10 0 BEAERO COCCC[N@H+](C)CCNc1ccc(C)cc1 ZINC000062037083 174216716 /nfs/dbraw/zinc/21/67/16/174216716.db2.gz CJJZZAYLGCSNHJ-UHFFFAOYSA-N 1 0 236.359 2.375 10 0 BEAERO COCCCN(C)c1cccc(F)c1[C@H](C)[NH3+] ZINC000062032062 174219896 /nfs/dbraw/zinc/21/98/96/174219896.db2.gz ZXEJSIWDJUZZBV-JTQLQIEISA-N 1 0 240.322 2.318 10 0 BEAERO COCCCN(C)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000062029284 174220687 /nfs/dbraw/zinc/22/06/87/174220687.db2.gz GUATVCWFYCWGFW-OCCSQVGLSA-N 1 0 236.359 2.043 10 0 BEAERO COCCCO[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043040347 174255824 /nfs/dbraw/zinc/25/58/24/174255824.db2.gz FPRMOQXSFATQJQ-OCCSQVGLSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042911675 174255836 /nfs/dbraw/zinc/25/58/36/174255836.db2.gz JDDGIXHQNWIJEC-GXTWGEPZSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043048714 174255840 /nfs/dbraw/zinc/25/58/40/174255840.db2.gz MJNDQUTYPUHIIL-MFKMUULPSA-N 1 0 241.306 2.267 10 0 BEAERO COCCCO[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042942598 174256119 /nfs/dbraw/zinc/25/61/19/174256119.db2.gz UGMZIGCFPLPUFP-MFKMUULPSA-N 1 0 241.306 2.267 10 0 BEAERO COCCC[C@@]1([NH3+])CCc2ccccc2C1 ZINC000053758974 174262336 /nfs/dbraw/zinc/26/23/36/174262336.db2.gz PZCXZXDRFACDPJ-CQSZACIVSA-N 1 0 219.328 2.299 10 0 BEAERO COCCC[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000062229271 174264786 /nfs/dbraw/zinc/26/47/86/174264786.db2.gz AMLZKURJWBFWNV-CQSZACIVSA-N 1 0 243.391 2.455 10 0 BEAERO COCCN([C@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000042517937 174284570 /nfs/dbraw/zinc/28/45/70/174284570.db2.gz VEQROEUAPKPGHB-OAHLLOKOSA-N 1 0 248.370 2.106 10 0 BEAERO COCCN([C@H](C[NH3+])c1ccccc1C)C1CC1 ZINC000042517933 174285450 /nfs/dbraw/zinc/28/54/50/174285450.db2.gz FVDLWOOHTKGSLK-OAHLLOKOSA-N 1 0 248.370 2.106 10 0 BEAERO COCCN([C@H](C)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518143 174285609 /nfs/dbraw/zinc/28/56/09/174285609.db2.gz FVKNOARXDDTBTB-IUODEOHRSA-N 1 0 248.370 2.186 10 0 BEAERO COCCN(CC(C)C)C(=[NH2+])NC1CCCC1 ZINC000052046033 174287478 /nfs/dbraw/zinc/28/74/78/174287478.db2.gz KVGKJNOOCORSBP-UHFFFAOYSA-N 1 0 241.379 2.058 10 0 BEAERO COCCN(C[C@@H]([NH3+])c1ccccc1C)C1CC1 ZINC000042518166 174297097 /nfs/dbraw/zinc/29/70/97/174297097.db2.gz IYLRTCXTFGZLNU-OAHLLOKOSA-N 1 0 248.370 2.106 10 0 BEAERO COCC[N@H+](Cc1ccc(C)c(N)c1)C1CC1 ZINC000042519641 174299428 /nfs/dbraw/zinc/29/94/28/174299428.db2.gz QHHYMUAHDXZWGE-UHFFFAOYSA-N 1 0 234.343 2.188 10 0 BEAERO COCC[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000036840933 174329887 /nfs/dbraw/zinc/32/98/87/174329887.db2.gz TYVCFUCTQOWXOQ-UHFFFAOYSA-N 1 0 219.328 2.477 10 0 BEAERO COCC[NH2+]CCCn1ccc2ccccc21 ZINC000052396178 174332233 /nfs/dbraw/zinc/33/22/33/174332233.db2.gz HEQYYVNZICPMAA-UHFFFAOYSA-N 1 0 232.327 2.267 10 0 BEAERO COCCOC[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000019263958 174362651 /nfs/dbraw/zinc/36/26/51/174362651.db2.gz URAQETVGWKDUHZ-LLVKDONJSA-N 1 0 235.283 2.096 10 0 BEAERO COCCOCc1ccoc1C[NH2+]C(C)(C)C ZINC000052628356 174364137 /nfs/dbraw/zinc/36/41/37/174364137.db2.gz YNLYOSCELYMBRO-UHFFFAOYSA-N 1 0 241.331 2.331 10 0 BEAERO COCCO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000019267276 174366517 /nfs/dbraw/zinc/36/65/17/174366517.db2.gz PADRJBZRVJAUIH-SOUVJXGZSA-N 1 0 249.354 2.313 10 0 BEAERO COCCO[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000019267278 174366606 /nfs/dbraw/zinc/36/66/06/174366606.db2.gz PADRJBZRVJAUIH-KKUMJFAQSA-N 1 0 249.354 2.313 10 0 BEAERO COCCOc1ccc([C@H]([NH3+])C(C)C)cc1 ZINC000015014424 174368373 /nfs/dbraw/zinc/36/83/73/174368373.db2.gz MPCFRFLITGWOOS-CYBMUJFWSA-N 1 0 223.316 2.368 10 0 BEAERO COCC[C@@H]([NH3+])c1cc(F)ccc1F ZINC000055243267 174392939 /nfs/dbraw/zinc/39/29/39/174392939.db2.gz HTYDTRKVXDKGQU-SNVBAGLBSA-N 1 0 201.216 2.001 10 0 BEAERO COCC[C@@H]([NH3+])c1ccc(F)cc1F ZINC000055238978 174392963 /nfs/dbraw/zinc/39/29/63/174392963.db2.gz JNQRXIMKKOVKLV-SNVBAGLBSA-N 1 0 201.216 2.001 10 0 BEAERO CO[C@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000043254685 174872168 /nfs/dbraw/zinc/87/21/68/174872168.db2.gz BTOHXSABOAQQCW-XNCJUZBTSA-N 1 0 205.710 2.436 10 0 BEAERO COc1cc(C)c(C)cc1COCCC[NH3+] ZINC000077336083 174956401 /nfs/dbraw/zinc/95/64/01/174956401.db2.gz WJEKGZADPWWUKP-UHFFFAOYSA-N 1 0 223.316 2.177 10 0 BEAERO COc1cc(C)c([C@H](O)[C@@H]2CCC[NH2+]2)cc1C ZINC000036163476 174962840 /nfs/dbraw/zinc/96/28/40/174962840.db2.gz MIALUEPKAHKKRP-JSGCOSHPSA-N 1 0 235.327 2.097 10 0 BEAERO COc1cc(C[C@@H](C)[NH3+])ccc1Br ZINC000026154657 174987767 /nfs/dbraw/zinc/98/77/67/174987767.db2.gz VDXSMUDYWQXHME-SSDOTTSWSA-N 1 0 244.132 2.347 10 0 BEAERO COc1cc(C[C@@H](C)[NH3+])c(OC)c(C)c1C ZINC000027303969 174987969 /nfs/dbraw/zinc/98/79/69/174987969.db2.gz RBZXVDSILZXPDM-MRVPVSSYSA-N 1 0 223.316 2.210 10 0 BEAERO COc1cc(OC)c([C@H]([NH3+])C2CC2)c(OC)c1 ZINC000036960452 175007718 /nfs/dbraw/zinc/00/77/18/175007718.db2.gz ZPQBOWZFPHIXNE-CYBMUJFWSA-N 1 0 237.299 2.122 10 0 BEAERO COc1cc([C@H]2CC[C@@H]2[NH3+])c(OC)cc1C ZINC000006069838 175017003 /nfs/dbraw/zinc/01/70/03/175017003.db2.gz RUSUFOFGWALPJC-KOLCDFICSA-N 1 0 221.300 2.217 10 0 BEAERO COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@@H]3C ZINC000013334749 175019091 /nfs/dbraw/zinc/01/90/91/175019091.db2.gz KDSRVLWGJOIMHP-MRVPVSSYSA-N 1 0 246.310 2.392 10 0 BEAERO COc1cc2c(cc1OC)[C@@H](C)[NH2+][C@H](C)C2 ZINC000082785501 175025533 /nfs/dbraw/zinc/02/55/33/175025533.db2.gz PWKFIIODJAWALD-RKDXNWHRSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(-c2cccc(C(N)=[NH2+])n2)cc1 ZINC000071186730 175034313 /nfs/dbraw/zinc/03/43/13/175034313.db2.gz XMCKNQPFJXAGHT-UHFFFAOYSA-N 1 0 227.267 2.041 10 0 BEAERO COc1ccc(-c2cnc(CCC[NH3+])o2)cc1 ZINC000011587036 175035827 /nfs/dbraw/zinc/03/58/27/175035827.db2.gz MZJBAQLXTWMTLX-UHFFFAOYSA-N 1 0 232.283 2.242 10 0 BEAERO COc1ccc(-c2nccc(C[C@@H](C)[NH3+])n2)cc1 ZINC000054834391 175041055 /nfs/dbraw/zinc/04/10/55/175041055.db2.gz BQSDETRFYFJCGT-SNVBAGLBSA-N 1 0 243.310 2.042 10 0 BEAERO COc1ccc(/C=C/C[NH3+])cc1Br ZINC000069050090 175047349 /nfs/dbraw/zinc/04/73/49/175047349.db2.gz CPIQYSLSVPMXFQ-NSCUHMNNSA-N 1 0 242.116 2.430 10 0 BEAERO COc1ccc(Br)cc1[C@H]1C[C@@H]1[NH3+] ZINC000037381713 175051421 /nfs/dbraw/zinc/05/14/21/175051421.db2.gz UGKJUJQEBHSVRC-APPZFPTMSA-N 1 0 242.116 2.272 10 0 BEAERO COc1ccc(C(=O)CC[NH2+]C2CC2)c(OC)c1 ZINC000049836948 175053549 /nfs/dbraw/zinc/05/35/49/175053549.db2.gz ZICHBDUMEDXZLW-UHFFFAOYSA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(C(=O)[C@@H]2CCCC[NH2+]2)cc1C ZINC000058327584 175065581 /nfs/dbraw/zinc/06/55/81/175065581.db2.gz UZUJCUKKCACHQG-LBPRGKRZSA-N 1 0 233.311 2.328 10 0 BEAERO COc1ccc(C(C)(C)C)cc1C(N)=[NH2+] ZINC000082593965 175067073 /nfs/dbraw/zinc/06/70/73/175067073.db2.gz KQDJCZGDVACFHH-UHFFFAOYSA-N 1 0 206.289 2.277 10 0 BEAERO COc1ccc(C(C)C)cc1C[NH2+]C[C@H](C)O ZINC000098126251 175069509 /nfs/dbraw/zinc/06/95/09/175069509.db2.gz YEGTWVKJFHGOSH-NSHDSACASA-N 1 0 237.343 2.289 10 0 BEAERO COc1ccc(C)cc1-c1cc(C[NH3+])no1 ZINC000020270365 175071686 /nfs/dbraw/zinc/07/16/86/175071686.db2.gz HVFNRLPGYQFROZ-UHFFFAOYSA-N 1 0 218.256 2.117 10 0 BEAERO COc1ccc(C)cc1C(=O)C1CC[NH2+]CC1 ZINC000011630765 175073286 /nfs/dbraw/zinc/07/32/86/175073286.db2.gz RPXXYBHITTYMMA-UHFFFAOYSA-N 1 0 233.311 2.186 10 0 BEAERO COc1ccc(C)cc1CC(=O)C1CC[NH2+]CC1 ZINC000041299214 175073784 /nfs/dbraw/zinc/07/37/84/175073784.db2.gz VCMVQCCOFDTIBF-UHFFFAOYSA-N 1 0 247.338 2.115 10 0 BEAERO COc1ccc(C)cc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054627462 175077152 /nfs/dbraw/zinc/07/71/52/175077152.db2.gz AVBWLAQWHUGCDG-YHWZYXNKSA-N 1 0 246.354 2.462 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)C1CC[NH2+]CC1 ZINC000011630793 175079972 /nfs/dbraw/zinc/07/99/72/175079972.db2.gz IOEJZOSFIOINQH-AWEZNQCLSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc(C)cc1[C@@]1(C)C[C@H]1C[NH3+] ZINC000054588033 175081203 /nfs/dbraw/zinc/08/12/03/175081203.db2.gz CKVCHVXMTWEODT-GWCFXTLKSA-N 1 0 205.301 2.240 10 0 BEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]C(C)C ZINC000037871951 175082018 /nfs/dbraw/zinc/08/20/18/175082018.db2.gz XAIWQBURELTNHB-GFCCVEGCSA-N 1 0 223.316 2.035 10 0 BEAERO COc1ccc(C)cc1[C@H](O)C[N@H+](C)C1CC1 ZINC000042250722 175082061 /nfs/dbraw/zinc/08/20/61/175082061.db2.gz RCEGWXLOKFIAQU-CYBMUJFWSA-N 1 0 235.327 2.131 10 0 BEAERO COc1ccc(C)cc1[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000033465514 175082128 /nfs/dbraw/zinc/08/21/28/175082128.db2.gz HCASEQGCXZLYQQ-BXUZGUMPSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc(CCCN2CCC[C@H]2C[NH3+])cc1 ZINC000019933309 175089723 /nfs/dbraw/zinc/08/97/23/175089723.db2.gz GRBXTFZTNHLFHL-AWEZNQCLSA-N 1 0 248.370 2.051 10 0 BEAERO COc1ccc(CC[C@H]2COC[C@@H](C)[NH2+]2)cc1 ZINC000071545517 175093893 /nfs/dbraw/zinc/09/38/93/175093893.db2.gz CHLMCFVSTDKEHN-YPMHNXCESA-N 1 0 235.327 2.005 10 0 BEAERO COc1ccc(CNC2=[NH+][C@H](C)CS2)cc1 ZINC000035294670 175105398 /nfs/dbraw/zinc/10/53/98/175105398.db2.gz YNDBQODAUNFKAM-SECBINFHSA-N 1 0 236.340 2.276 10 0 BEAERO COc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cn1 ZINC000037468433 175107965 /nfs/dbraw/zinc/10/79/65/175107965.db2.gz CLPVHILSBABZAA-JTQLQIEISA-N 1 0 220.316 2.368 10 0 BEAERO COc1ccc(C[NH2+][C@@H](C)CO)cc1C(C)C ZINC000098126245 175109349 /nfs/dbraw/zinc/10/93/49/175109349.db2.gz VPTZDHQNVZYBSS-NSHDSACASA-N 1 0 237.343 2.289 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])Cc2cncs2)cc1 ZINC000096962495 175115480 /nfs/dbraw/zinc/11/54/80/175115480.db2.gz LYALXPPLLYKSCM-LLVKDONJSA-N 1 0 248.351 2.264 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000071424756 175115985 /nfs/dbraw/zinc/11/59/85/175115985.db2.gz PNFOVCYWNCCAOV-GFCCVEGCSA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc(C[C@H]([NH3+])CCOC(C)C)cc1 ZINC000053831530 175117029 /nfs/dbraw/zinc/11/70/29/175117029.db2.gz CDMWFVJRUYFDOK-CYBMUJFWSA-N 1 0 237.343 2.380 10 0 BEAERO COc1ccc(C[C@H]([NH3+])C2CCC2)cc1 ZINC000038128779 175117102 /nfs/dbraw/zinc/11/71/02/175117102.db2.gz BAKZFSMEYZPKPA-ZDUSSCGKSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccc(C[C@H](C[NH3+])C2CC2)cc1OC ZINC000041266188 175117231 /nfs/dbraw/zinc/11/72/31/175117231.db2.gz XCFLVNWHOXNJMH-GFCCVEGCSA-N 1 0 235.327 2.231 10 0 BEAERO COc1ccc(Cl)c(NC(=O)C[C@@H](C)[NH3+])c1 ZINC000043318636 175118908 /nfs/dbraw/zinc/11/89/08/175118908.db2.gz ISKOYHFDONOQSV-SSDOTTSWSA-N 1 0 242.706 2.024 10 0 BEAERO COc1ccc(Cl)cc1C(=O)CCC[NH3+] ZINC000075484183 175119559 /nfs/dbraw/zinc/11/95/59/175119559.db2.gz SVTJRBKGHIKBIW-UHFFFAOYSA-N 1 0 227.691 2.270 10 0 BEAERO COc1ccc(Cl)cc1[C@@H](O)[C@@H]([NH3+])C(C)C ZINC000071558227 175122096 /nfs/dbraw/zinc/12/20/96/175122096.db2.gz PFOOKDWRAHLAMD-NWDGAFQWSA-N 1 0 243.734 2.365 10 0 BEAERO COc1ccc(Cl)cc1N[C@H]1CC[N@H+](C)C1 ZINC000061984609 175122292 /nfs/dbraw/zinc/12/22/92/175122292.db2.gz ZAZRNPVLASSCAM-JTQLQIEISA-N 1 0 240.734 2.465 10 0 BEAERO COc1ccc(F)c(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000293421970 175125520 /nfs/dbraw/zinc/12/55/20/175125520.db2.gz AMSUYYRATSQAHD-UFBFGSQYSA-N 1 0 209.264 2.332 10 0 BEAERO COc1ccc(F)cc1CN(CC[NH3+])C(C)C ZINC000076621945 175128460 /nfs/dbraw/zinc/12/84/60/175128460.db2.gz WGQHXAWXWPHBPC-UHFFFAOYSA-N 1 0 240.322 2.003 10 0 BEAERO COc1ccc(N)cc1[C@H]1CC[N@@H+](C(C)C)C1 ZINC000090548032 175138475 /nfs/dbraw/zinc/13/84/75/175138475.db2.gz HETDDJQJBIZRSJ-NSHDSACASA-N 1 0 234.343 2.475 10 0 BEAERO COc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1C ZINC000049531963 175142230 /nfs/dbraw/zinc/14/22/30/175142230.db2.gz NCQAVQJASQQPFW-LLVKDONJSA-N 1 0 248.326 2.084 10 0 BEAERO COc1ccc(NC(=O)[C@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000051790686 175147208 /nfs/dbraw/zinc/14/72/08/175147208.db2.gz OROPGGHMJOUIMP-MFKMUULPSA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000020441143 175155738 /nfs/dbraw/zinc/15/57/38/175155738.db2.gz INPKGLAUMXOZPT-AWEZNQCLSA-N 1 0 232.327 2.201 10 0 BEAERO COc1ccc(OC)c(CC[C@H]2CCC[NH2+]2)c1 ZINC000041266198 175165199 /nfs/dbraw/zinc/16/51/99/175165199.db2.gz GJXOYCSOEZACON-GFCCVEGCSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(OC)c(C[C@H]2CCC[NH2+]C2)c1 ZINC000011630914 175166389 /nfs/dbraw/zinc/16/63/89/175166389.db2.gz OODKWQSYHZYDEP-LLVKDONJSA-N 1 0 235.327 2.246 10 0 BEAERO COc1ccc(OC)c(Nc2cc(N)cc[nH+]2)c1 ZINC000043568626 175167508 /nfs/dbraw/zinc/16/75/08/175167508.db2.gz SADYROMFQYQJNA-UHFFFAOYSA-N 1 0 245.282 2.425 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])COC(C)C)c1 ZINC000019395327 175168041 /nfs/dbraw/zinc/16/80/41/175168041.db2.gz WENFNRGSWAQDRO-LBPRGKRZSA-N 1 0 239.315 2.129 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])c2cccnc2)c1 ZINC000011832154 175168175 /nfs/dbraw/zinc/16/81/75/175168175.db2.gz URJXSSBKDMSZIV-AWEZNQCLSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc(OC)c([C@@H]2C[C@@H](C)C[NH2+]2)c1 ZINC000003704338 175168296 /nfs/dbraw/zinc/16/82/96/175168296.db2.gz CQOHQUKEEZSHMY-SKDRFNHKSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])c2ccoc2)c1 ZINC000035379801 175168479 /nfs/dbraw/zinc/16/84/79/175168479.db2.gz GPUMTTFQJQWPEB-ZDUSSCGKSA-N 1 0 233.267 2.345 10 0 BEAERO COc1ccc(OC)c([C@H](C)[C@H](C)[NH3+])c1 ZINC000082375996 175168809 /nfs/dbraw/zinc/16/88/09/175168809.db2.gz MQFAKKHLHSSWIH-BDAKNGLRSA-N 1 0 209.289 2.155 10 0 BEAERO COc1ccc(OC)c([C@H]2CC[C@H]([NH3+])C2)c1 ZINC000057513872 175169001 /nfs/dbraw/zinc/16/90/01/175169001.db2.gz LPCXIFKTIGHMOU-UWVGGRQHSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(OCCC(C)(C)C[NH3+])cc1 ZINC000057713817 175171866 /nfs/dbraw/zinc/17/18/66/175171866.db2.gz KHJMEEXUSGLYSP-UHFFFAOYSA-N 1 0 223.316 2.449 10 0 BEAERO COc1ccc(OCC(F)F)c(C[C@@H](C)[NH3+])c1 ZINC000037756415 175172115 /nfs/dbraw/zinc/17/21/15/175172115.db2.gz DOMKAMOTHWELAT-MRVPVSSYSA-N 1 0 245.269 2.229 10 0 BEAERO COc1ccc([C@@H](C)CC[NH3+])cc1OC ZINC000011629518 175176111 /nfs/dbraw/zinc/17/61/11/175176111.db2.gz XZGIXSLHJDKMKM-VIFPVBQESA-N 1 0 209.289 2.156 10 0 BEAERO COc1ccc([C@@H]([NH3+])C2CC2)cc1OC ZINC000003739205 175179006 /nfs/dbraw/zinc/17/90/06/175179006.db2.gz DEBZSUSMSYKLMT-LBPRGKRZSA-N 1 0 207.273 2.114 10 0 BEAERO COc1ccc([C@@H]([NH3+])C2CC2)c(OC)c1 ZINC000003739209 175179155 /nfs/dbraw/zinc/17/91/55/175179155.db2.gz QREIEGXDUITGEG-LBPRGKRZSA-N 1 0 207.273 2.114 10 0 BEAERO COc1ccc([C@@H]([NH3+])C2CC2)c(OC)c1OC ZINC000003739327 175179170 /nfs/dbraw/zinc/17/91/70/175179170.db2.gz CZJBGVFQAMFRRD-NSHDSACASA-N 1 0 237.299 2.122 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccncc2)c(F)c1 ZINC000036766567 175180359 /nfs/dbraw/zinc/18/03/59/175180359.db2.gz LMRIPZVXBQVZPQ-ZDUSSCGKSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccc([C@@H](O)C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000042246767 175180855 /nfs/dbraw/zinc/18/08/55/175180855.db2.gz JGAOYEFHNPJWCN-NHYWBVRUSA-N 1 0 249.354 2.459 10 0 BEAERO COc1ccc([C@@H](OCC[NH3+])C2CC2)cc1 ZINC000071523050 175182168 /nfs/dbraw/zinc/18/21/68/175182168.db2.gz FVCAPWMRLXFXNI-ZDUSSCGKSA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccc([C@@H](OCC[NH3+])c2ccco2)cc1 ZINC000019676413 175182324 /nfs/dbraw/zinc/18/23/24/175182324.db2.gz HTWAIZXUCJEKEY-CQSZACIVSA-N 1 0 247.294 2.353 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+][C@@H]2C)c(OC)c1 ZINC000051954049 175183455 /nfs/dbraw/zinc/18/34/55/175183455.db2.gz ATWCALBGAYLRJS-MWLCHTKSSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+][C@@H]2C)cc1OC ZINC000051954010 175183615 /nfs/dbraw/zinc/18/36/15/175183615.db2.gz DNADNFBLEFNPMS-MWLCHTKSSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000070636574 175183674 /nfs/dbraw/zinc/18/36/74/175183674.db2.gz GABLSUYQTOJLEP-SCZZXKLOSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@H](C)n2ccnc2C)cc1 ZINC000023068847 175192288 /nfs/dbraw/zinc/19/22/88/175192288.db2.gz JMMOPHZCIRCFCH-IINYFYTJSA-N 1 0 245.326 2.461 10 0 BEAERO COc1ccc([C@H]([NH2+][C@@H](C)CO)C2CC2)cc1 ZINC000037258548 175193086 /nfs/dbraw/zinc/19/30/86/175193086.db2.gz ZXQFNVYXZDAWQK-IINYFYTJSA-N 1 0 235.327 2.117 10 0 BEAERO COc1ccc([C@H](SC)[C@@H](C)[NH3+])cc1 ZINC000042965179 175193780 /nfs/dbraw/zinc/19/37/80/175193780.db2.gz OVYVVKMVSLAQCH-LDYMZIIASA-N 1 0 211.330 2.447 10 0 BEAERO COc1ccc([C@H]([C@@H](C)[NH3+])N(C)C2CC2)cc1 ZINC000042960663 175193846 /nfs/dbraw/zinc/19/38/46/175193846.db2.gz HOYLQPRHMUUTMS-YGRLFVJLSA-N 1 0 234.343 2.178 10 0 BEAERO COc1ccc([C@H]2CCC[NH2+]2)c(OC)c1OC ZINC000036850394 175194640 /nfs/dbraw/zinc/19/46/40/175194640.db2.gz ZRKIAKZEEROPFR-SNVBAGLBSA-N 1 0 237.299 2.137 10 0 BEAERO COc1ccc([C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000055265145 175194691 /nfs/dbraw/zinc/19/46/91/175194691.db2.gz FMDFDURZUMEMHS-KOLCDFICSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc([C@H]2CC[NH2+]CCS2)cc1 ZINC000003789245 175195605 /nfs/dbraw/zinc/19/56/05/175195605.db2.gz UBHBSZQMYZYOFC-GFCCVEGCSA-N 1 0 223.341 2.463 10 0 BEAERO COc1ccc2c(c1)onc2C1CC[NH2+]CC1 ZINC000019946233 175205092 /nfs/dbraw/zinc/20/50/92/175205092.db2.gz OUVJCKBFKGXTMC-UHFFFAOYSA-N 1 0 232.283 2.303 10 0 in-vitro BEAERO COc1ccc2c(c1)CCC[C@@H]2CC[NH3+] ZINC000043559331 175207789 /nfs/dbraw/zinc/20/77/89/175207789.db2.gz ZFDFNVHRNDGSTR-SNVBAGLBSA-N 1 0 205.301 2.464 10 0 BEAERO COc1ccc2c(c1)CC[C@]21CCC[NH2+]1 ZINC000066348132 175209373 /nfs/dbraw/zinc/20/93/73/175209373.db2.gz DLXUWECXOLMPER-CYBMUJFWSA-N 1 0 203.285 2.220 10 0 BEAERO COc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@H]1[NH3+] ZINC000095917828 175210997 /nfs/dbraw/zinc/21/09/97/175210997.db2.gz HLIZYJUVYJDBSG-UHIISALHSA-N 1 0 217.312 2.147 10 0 BEAERO COc1ccc2c(c1)[C@@H](C[NH3+])CCS2 ZINC000082375868 175213706 /nfs/dbraw/zinc/21/37/06/175213706.db2.gz VIKGOJSIVWIWFR-MRVPVSSYSA-N 1 0 209.314 2.233 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)CS2 ZINC000035755416 175214732 /nfs/dbraw/zinc/21/47/32/175214732.db2.gz NGGXCQUQFDAAHV-CPCISQLKSA-N 1 0 209.314 2.437 10 0 BEAERO COc1ccc2c(c1)[C@@H]1CCC[NH2+][C@@H]1CC2 ZINC000034213051 175215213 /nfs/dbraw/zinc/21/52/13/175215213.db2.gz RBZIBEPPCSRMRU-GXTWGEPZSA-N 1 0 217.312 2.477 10 0 BEAERO COc1ccc2c(c1)[C@]1(CC[NH2+]C1)CCC2 ZINC000027733676 175215572 /nfs/dbraw/zinc/21/55/72/175215572.db2.gz FSKSEYJBEAHKNH-AWEZNQCLSA-N 1 0 217.312 2.263 10 0 BEAERO COc1ccc2c(c1)c(CC[NH+](C)C)cn2C ZINC000013584505 175217742 /nfs/dbraw/zinc/21/77/42/175217742.db2.gz GMYGWDMDFAGPPB-UHFFFAOYSA-N 1 0 232.327 2.291 10 0 BEAERO COc1ccc2c(c1)[nH+]c(N)n2C(C)C ZINC000075947257 175219736 /nfs/dbraw/zinc/21/97/36/175219736.db2.gz LTPMFRLFFBMSQQ-UHFFFAOYSA-N 1 0 205.261 2.208 10 0 BEAERO COc1ccc2c(c1OC)CCC[C@H]2[NH3+] ZINC000036156194 175222329 /nfs/dbraw/zinc/22/23/29/175222329.db2.gz WOADEMZTZBTFMH-SNVBAGLBSA-N 1 0 207.273 2.040 10 0 BEAERO COc1ccc2oc(C3CC[NH2+]CC3)nc2c1 ZINC000062530646 175231275 /nfs/dbraw/zinc/23/12/75/175231275.db2.gz DDLZBPXLWIYRDP-UHFFFAOYSA-N 1 0 232.283 2.303 10 0 BEAERO COc1ccc2oc(C[C@@H]3CCC[NH2+]3)nc2c1 ZINC000083076519 175231615 /nfs/dbraw/zinc/23/16/15/175231615.db2.gz FSVDXVGYSVEDCA-VIFPVBQESA-N 1 0 232.283 2.131 10 0 BEAERO COc1cccc(-c2nc([C@@H](C)[NH3+])c[nH]2)c1 ZINC000082517053 175235750 /nfs/dbraw/zinc/23/57/50/175235750.db2.gz WITHOMNMZMJIDU-MRVPVSSYSA-N 1 0 217.272 2.105 10 0 BEAERO COc1cccc(C(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000071521299 175247108 /nfs/dbraw/zinc/24/71/08/175247108.db2.gz HWMBGNZYSJIYGT-LBPRGKRZSA-N 1 0 219.284 2.020 10 0 BEAERO COc1cccc(CC[NH3+])c1OCC(F)(F)F ZINC000037721609 175252010 /nfs/dbraw/zinc/25/20/10/175252010.db2.gz MCPSTAMBCXRVSN-UHFFFAOYSA-N 1 0 249.232 2.138 10 0 BEAERO COc1cccc(CC[NH2+]C[C@H]2CCCO2)c1 ZINC000037927467 175252648 /nfs/dbraw/zinc/25/26/48/175252648.db2.gz WDGOQPVUNIZRHZ-CQSZACIVSA-N 1 0 235.327 2.006 10 0 BEAERO CCCC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000225813236 487630165 /nfs/dbraw/zinc/63/01/65/487630165.db2.gz VHANYTAUAIOWHV-LLVKDONJSA-N 1 0 226.364 2.056 10 0 BEAERO COc1cccc(CNC2=[NH+]CCCS2)c1 ZINC000038078028 175263670 /nfs/dbraw/zinc/26/36/70/175263670.db2.gz VFLWILZUFPUVQV-UHFFFAOYSA-N 1 0 236.340 2.278 10 0 BEAERO COc1cccc(COC[C@@H]2CCCC[NH2+]2)c1 ZINC000055364141 175269663 /nfs/dbraw/zinc/26/96/63/175269663.db2.gz OIBMKUSMMLNLRZ-ZDUSSCGKSA-N 1 0 235.327 2.354 10 0 BEAERO COc1cccc(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000019511024 175277661 /nfs/dbraw/zinc/27/76/61/175277661.db2.gz WSSUKRIIZLMRHS-GXFFZTMASA-N 1 0 248.326 2.164 10 0 BEAERO COc1cccc(NCC[N@H+](C)C2CCCC2)n1 ZINC000104109434 175277876 /nfs/dbraw/zinc/27/78/76/175277876.db2.gz IPRFAOZWWFCPEW-UHFFFAOYSA-N 1 0 249.358 2.377 10 0 BEAERO COc1cccc(NC[C@H]2CCC[NH2+]C2)c1 ZINC000041234289 175278845 /nfs/dbraw/zinc/27/88/45/175278845.db2.gz CCGQAOUXFOJHPJ-NSHDSACASA-N 1 0 220.316 2.107 10 0 BEAERO COc1cccc(OCCC[C@H](C)[NH3+])c1 ZINC000041218735 175283413 /nfs/dbraw/zinc/28/34/13/175283413.db2.gz KRVHQZCRSUTNRJ-JTQLQIEISA-N 1 0 209.289 2.201 10 0 BEAERO COc1cccc(O[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000019398078 175284649 /nfs/dbraw/zinc/28/46/49/175284649.db2.gz OOQZNVDFFQHGTL-OLZOCXBDSA-N 1 0 221.300 2.344 10 0 BEAERO COc1cccc([C@@H](CCC[NH3+])OC)c1 ZINC000049814583 175287561 /nfs/dbraw/zinc/28/75/61/175287561.db2.gz HQWKGXJTSSYKKK-GFCCVEGCSA-N 1 0 209.289 2.122 10 0 BEAERO COc1cccc([C@@H]([NH3+])Cc2ccncc2)c1 ZINC000053134675 175288793 /nfs/dbraw/zinc/28/87/93/175288793.db2.gz SACPCCNGGXBZDW-AWEZNQCLSA-N 1 0 228.295 2.333 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2cc(C)ccn2)c1 ZINC000104427466 175289070 /nfs/dbraw/zinc/28/90/70/175289070.db2.gz YGMYIKVTYSEUNO-CQSZACIVSA-N 1 0 228.295 2.447 10 0 BEAERO COc1cccc([C@@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000071525195 175289684 /nfs/dbraw/zinc/28/96/84/175289684.db2.gz ZFVOVOWAFUQXIL-GWCFXTLKSA-N 1 0 223.316 2.115 10 0 BEAERO COc1cccc([C@@H]2C[C@@H](C)C[NH2+]2)c1OC ZINC000003705249 175291068 /nfs/dbraw/zinc/29/10/68/175291068.db2.gz DFWRMXSFFUYXGY-KOLCDFICSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cccc([C@@H]2C[NH2+]CCN2C(C)C)c1 ZINC000077369931 175291189 /nfs/dbraw/zinc/29/11/89/175291189.db2.gz GHQQCXCGGHUEOY-AWEZNQCLSA-N 1 0 234.343 2.050 10 0 BEAERO COc1cccc([C@@H]2[C@@H](C[NH3+])C2(C)C)c1OC ZINC000076682577 175292003 /nfs/dbraw/zinc/29/20/03/175292003.db2.gz LAFTVYQVSAFNOO-ZYHUDNBSSA-N 1 0 235.327 2.402 10 0 BEAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2O)c1 ZINC000148345621 175293325 /nfs/dbraw/zinc/29/33/25/175293325.db2.gz OHLIGCKXPKGNEA-GDLCADMTSA-N 1 0 235.327 2.259 10 0 BEAERO COc1cccc([C@H]([NH3+])Cc2ccncc2)c1 ZINC000053134671 175294334 /nfs/dbraw/zinc/29/43/34/175294334.db2.gz SACPCCNGGXBZDW-CQSZACIVSA-N 1 0 228.295 2.333 10 0 BEAERO COc1cccc([C@H]([NH3+])c2cccc(C)n2)c1 ZINC000104160050 175294790 /nfs/dbraw/zinc/29/47/90/175294790.db2.gz JSSOEHHQHYHNAJ-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1cccc([C@H]([NH3+])[C@H]2CCCOC2)c1 ZINC000082364249 175295086 /nfs/dbraw/zinc/29/50/86/175295086.db2.gz OTSLTZKQNJDQCB-AAEUAGOBSA-N 1 0 221.300 2.122 10 0 BEAERO COc1cccc([C@H]2CC[NH2+][C@H]2C)c1OC ZINC000051954131 175295511 /nfs/dbraw/zinc/29/55/11/175295511.db2.gz NHHTWTCGUHARLN-UWVGGRQHSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cccc2c(N)c(C)c(C)[nH+]c12 ZINC000050868647 175300408 /nfs/dbraw/zinc/30/04/08/175300408.db2.gz XUJNRPFQPHJJQP-UHFFFAOYSA-N 1 0 202.257 2.442 10 0 BEAERO COc1cccc2c1CC[C@H]1[NH2+]CCC[C@H]21 ZINC000013781526 175303184 /nfs/dbraw/zinc/30/31/84/175303184.db2.gz GHNVWCDFSUPLTC-DGCLKSJQSA-N 1 0 217.312 2.477 10 0 BEAERO COc1cccc2c1[C@@H]1CC[C@@]([NH3+])(C1)C2 ZINC000027549214 175305765 /nfs/dbraw/zinc/30/57/65/175305765.db2.gz CJDASYDUZUAOHZ-MFKMUULPSA-N 1 0 203.285 2.216 10 0 BEAERO COc1cccc2c1ccc1c2C[NH2+]CC1 ZINC000028712986 175306624 /nfs/dbraw/zinc/30/66/24/175306624.db2.gz MWHVAGSUDGEENC-UHFFFAOYSA-N 1 0 213.280 2.494 10 0 BEAERO COc1cccc2scc(CC[NH3+])c21 ZINC000082941394 175308165 /nfs/dbraw/zinc/30/81/65/175308165.db2.gz AAHOGLYCQZTPAG-UHFFFAOYSA-N 1 0 207.298 2.411 10 0 BEAERO COc1ccccc1/C=C\C[N@@H+]1CCC[C@H](O)C1 ZINC000103862750 175315441 /nfs/dbraw/zinc/31/54/41/175315441.db2.gz LHQPFCURFYWCEW-ZBKLQPJUSA-N 1 0 247.338 2.165 10 0 BEAERO COc1ccccc1C(=O)C[NH2+]C(C)(C)C ZINC000033877730 175316388 /nfs/dbraw/zinc/31/63/88/175316388.db2.gz WPGRGQTXNPPLNE-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO COc1ccccc1C(=O)[C@@H]([NH3+])CC(C)C ZINC000032013956 175319112 /nfs/dbraw/zinc/31/91/12/175319112.db2.gz NPTMXMQOLPWMBF-NSHDSACASA-N 1 0 221.300 2.251 10 0 BEAERO COc1ccccc1C(=O)[C@H](C[NH3+])C(C)C ZINC000082364287 175319669 /nfs/dbraw/zinc/31/96/69/175319669.db2.gz ZOLRUHNRMDZAHS-LLVKDONJSA-N 1 0 221.300 2.109 10 0 BEAERO COc1ccccc1C(=O)c1ccc(C[NH3+])cc1 ZINC000019779680 175320183 /nfs/dbraw/zinc/32/01/83/175320183.db2.gz BRIVMIMIILNXPG-UHFFFAOYSA-N 1 0 241.290 2.385 10 0 BEAERO COc1ccccc1CC[C@H]1CCC[NH2+]1 ZINC000041213829 175324474 /nfs/dbraw/zinc/32/44/74/175324474.db2.gz FRUMNTGJURSHBV-GFCCVEGCSA-N 1 0 205.301 2.380 10 0 BEAERO COc1ccccc1CC[C@H]1COC[C@@H](C)[NH2+]1 ZINC000071545501 175324675 /nfs/dbraw/zinc/32/46/75/175324675.db2.gz PTYIHTQDBBCHKQ-YPMHNXCESA-N 1 0 235.327 2.005 10 0 BEAERO COc1ccccc1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000062911588 175325187 /nfs/dbraw/zinc/32/51/87/175325187.db2.gz HMTJZDPDAPWKRT-OAHLLOKOSA-N 1 0 248.370 2.127 10 0 BEAERO COc1ccccc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000378353021 175327270 /nfs/dbraw/zinc/32/72/70/175327270.db2.gz ZSCLTOMQQWHYAU-ZDUSSCGKSA-N 1 0 249.354 2.290 10 0 BEAERO COc1ccccc1COC[C@@H]1CCCC[NH2+]1 ZINC000051816128 175332205 /nfs/dbraw/zinc/33/22/05/175332205.db2.gz ZOXMCENCXWRBLX-ZDUSSCGKSA-N 1 0 235.327 2.354 10 0 BEAERO COc1ccccc1C[C@@H]([NH3+])c1cncc(F)c1 ZINC000049576498 175333011 /nfs/dbraw/zinc/33/30/11/175333011.db2.gz QBUQDJQSGLERNN-CYBMUJFWSA-N 1 0 246.285 2.472 10 0 BEAERO COc1ccccc1N1CCC[NH2+][C@H](C)CC1 ZINC000049663090 175336234 /nfs/dbraw/zinc/33/62/34/175336234.db2.gz LAFFGSVTYJZMEV-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO COc1ccccc1OCCC[C@@H](C)[NH3+] ZINC000041218715 175340958 /nfs/dbraw/zinc/34/09/58/175340958.db2.gz ATDAKJQDLLEKJF-SNVBAGLBSA-N 1 0 209.289 2.201 10 0 BEAERO COc1ccccc1Oc1ccnc(C[NH3+])c1 ZINC000051549695 175342520 /nfs/dbraw/zinc/34/25/20/175342520.db2.gz DIQLJDREOQJISS-UHFFFAOYSA-N 1 0 230.267 2.341 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])c1cccnc1 ZINC000037466408 175347156 /nfs/dbraw/zinc/34/71/56/175347156.db2.gz SPJBTAMBMVFZBA-ZDUSSCGKSA-N 1 0 214.268 2.138 10 0 BEAERO COc1ccccc1[C@@H](O)C[NH2+]CCC(C)C ZINC000049828897 175347215 /nfs/dbraw/zinc/34/72/15/175347215.db2.gz YSKUPCSTPFIEMS-ZDUSSCGKSA-N 1 0 237.343 2.364 10 0 BEAERO COc1ccccc1[C@@H](O)CC[NH2+]C(C)C ZINC000049819433 175347573 /nfs/dbraw/zinc/34/75/73/175347573.db2.gz SPBJOFFABWOYQU-LBPRGKRZSA-N 1 0 223.316 2.117 10 0 BEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)CC1CC1 ZINC000043097799 175348873 /nfs/dbraw/zinc/34/88/73/175348873.db2.gz DRCUNDYVCOMRHP-IAQYHMDHSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])C(F)(F)F ZINC000082719064 175352931 /nfs/dbraw/zinc/35/29/31/175352931.db2.gz GBEFVFHIXRRPNI-QMMMGPOBSA-N 1 0 219.206 2.300 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])n1nc(C)cc1C ZINC000043098701 175353626 /nfs/dbraw/zinc/35/36/26/175353626.db2.gz XUMWIIUYYWHGGH-ZDUSSCGKSA-N 1 0 245.326 2.057 10 0 BEAERO COc1ccccc1[C@H]([NH3+])[C@@H]1CCSC1 ZINC000082362124 175353833 /nfs/dbraw/zinc/35/38/33/175353833.db2.gz KXIYBQYQQQIUPM-BXKDBHETSA-N 1 0 223.341 2.448 10 0 BEAERO COc1ccccc1[C@H]1Cc2n[nH]cc2[C@@H]([NH3+])C1 ZINC000072415367 175355679 /nfs/dbraw/zinc/35/56/79/175355679.db2.gz ICDZRVFYHXWMQG-SKDRFNHKSA-N 1 0 243.310 2.148 10 0 BEAERO COc1ccccc1[C@](O)(C[NH2+]C1CC1)C1CC1 ZINC000049835633 175356510 /nfs/dbraw/zinc/35/65/10/175356510.db2.gz SYVVNLKVQACBRX-HNNXBMFYSA-N 1 0 247.338 2.045 10 0 BEAERO COc1ccsc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000127133390 175377977 /nfs/dbraw/zinc/37/79/77/175377977.db2.gz QLCOFFFCFUYDMG-MRVPVSSYSA-N 1 0 229.345 2.006 10 0 BEAERO CSCc1nc(C)c([C@H](C)C[NH3+])c(C)n1 ZINC000054836989 175533090 /nfs/dbraw/zinc/53/30/90/175533090.db2.gz JXAKGMHHKSXIQX-SSDOTTSWSA-N 1 0 225.361 2.019 10 0 BEAERO C[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000251522066 175642789 /nfs/dbraw/zinc/64/27/89/175642789.db2.gz ADKURJMFOWIJOR-GRYCIOLGSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@@H](CCC[NH3+])C(=O)Nc1ccccc1 ZINC000076583718 175664849 /nfs/dbraw/zinc/66/48/49/175664849.db2.gz GFYTVHQTVPNZQR-JTQLQIEISA-N 1 0 206.289 2.000 10 0 BEAERO C[C@@H](CCC[NH3+])C(=O)Nc1ccccc1F ZINC000076611653 175665616 /nfs/dbraw/zinc/66/56/16/175665616.db2.gz DDDMEZQEYSAHSW-VIFPVBQESA-N 1 0 224.279 2.139 10 0 BEAERO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367506275 175685620 /nfs/dbraw/zinc/68/56/20/175685620.db2.gz VIELYMOFADFFHA-QCEMKRCNSA-N 1 0 245.366 2.490 10 0 BEAERO C[C@@H](C[NH2+]C1CCCCC1)n1ccnc1 ZINC000053520557 175730507 /nfs/dbraw/zinc/73/05/07/175730507.db2.gz CLBJMJYXBQVZES-NSHDSACASA-N 1 0 207.321 2.366 10 0 BEAERO C[C@@H](Cc1ccccc1)[NH2+]CCCC(=O)N(C)C ZINC000062185797 175773392 /nfs/dbraw/zinc/77/33/92/175773392.db2.gz FFZLGUZYMJOONN-ZDUSSCGKSA-N 1 0 248.370 2.076 10 0 BEAERO C[C@@H]([NH3+])COc1cccc2c1OC(C)(C)C2 ZINC000023071150 175806348 /nfs/dbraw/zinc/80/63/48/175806348.db2.gz DMYIAMNLERMGNG-SECBINFHSA-N 1 0 221.300 2.126 10 0 BEAERO C[C@@H]([NH3+])Cc1noc(C2CCCCC2)n1 ZINC000054161352 175807945 /nfs/dbraw/zinc/80/79/45/175807945.db2.gz ZNAFENWBIWHLJR-MRVPVSSYSA-N 1 0 209.293 2.007 10 0 BEAERO C[C@@H]([NH3+])Cn1ccc2cc(F)c(F)cc21 ZINC000013764829 175808912 /nfs/dbraw/zinc/80/89/12/175808912.db2.gz MYZDBEVPJGKIQS-SSDOTTSWSA-N 1 0 210.227 2.267 10 0 BEAERO C[C@@H]([NH3+])c1ccc(Oc2ncccn2)cc1 ZINC000058824596 175817839 /nfs/dbraw/zinc/81/78/39/175817839.db2.gz JUYNLYXRIHONMN-SECBINFHSA-N 1 0 215.256 2.289 10 0 BEAERO C[C@@H](NC(=O)C1CCC1)c1ccc(C[NH3+])cc1 ZINC000037747650 175827639 /nfs/dbraw/zinc/82/76/39/175827639.db2.gz IDFXHVOEMORXLW-SNVBAGLBSA-N 1 0 232.327 2.123 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C)c1cccnc1 ZINC000044561892 175888252 /nfs/dbraw/zinc/88/82/52/175888252.db2.gz MRENHEHPQWDIRL-OCCSQVGLSA-N 1 0 233.359 2.217 10 0 BEAERO C[C@@H]([NH2+][C@H](C)C1(C)CC1)C(=O)N1CCCCC1 ZINC000037784541 175919764 /nfs/dbraw/zinc/91/97/64/175919764.db2.gz LCLXNAVKQRDHMQ-VXGBXAGGSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(O)cc1 ZINC000051991343 175924273 /nfs/dbraw/zinc/92/42/73/175924273.db2.gz LYBQMPYXCDCGID-SWHYSGLUSA-N 1 0 235.327 2.346 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccn1 ZINC000037889253 175924880 /nfs/dbraw/zinc/92/48/80/175924880.db2.gz YJMKRUFZKGKVOS-XBFCOCLRSA-N 1 0 234.343 2.426 10 0 BEAERO C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037258060 175982729 /nfs/dbraw/zinc/98/27/29/175982729.db2.gz LBYVAQFEYWZSCA-NOZJJQNGSA-N 1 0 223.291 2.247 10 0 BEAERO C[C@@H](O)c1ccccc1OCC[NH+]1CCCC1 ZINC000035626940 176000057 /nfs/dbraw/zinc/00/00/57/176000057.db2.gz VBQZXYAPEOAXAH-GFCCVEGCSA-N 1 0 235.327 2.215 10 0 BEAERO C[C@@H](O)c1ncc(C[NH2+][C@H](C)C2CC2)s1 ZINC000289265524 176000690 /nfs/dbraw/zinc/00/06/90/176000690.db2.gz NAEZHLNNGAIHLS-HTQZYQBOSA-N 1 0 226.345 2.085 10 0 BEAERO C[C@@H](c1ccccc1)N1CC[NH2+][C@H](C)CC1 ZINC000049661337 176022199 /nfs/dbraw/zinc/02/21/99/176022199.db2.gz VKPFDCPOIHVGGD-OLZOCXBDSA-N 1 0 218.344 2.431 10 0 BEAERO C[C@@H](c1ccccc1)[C@@H](CN)[NH+]1CCCC1 ZINC000040216766 176023122 /nfs/dbraw/zinc/02/31/22/176023122.db2.gz FBKDBTRGXLWNHD-GXTWGEPZSA-N 1 0 218.344 2.213 10 0 BEAERO C[C@@H](c1ccco1)N1CCCC[C@@H]1C[NH3+] ZINC000044539632 176033146 /nfs/dbraw/zinc/03/31/46/176033146.db2.gz CQYOUXHDTANJDL-WDEREUQCSA-N 1 0 208.305 2.154 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309816579 176052426 /nfs/dbraw/zinc/05/24/26/176052426.db2.gz VJLBWVYMRUFMNW-NJMOYASZSA-N 1 0 223.360 2.293 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@](CN)([NH2+]C2CC2)C1 ZINC000050271074 176052582 /nfs/dbraw/zinc/05/25/82/176052582.db2.gz ZFEMCQQENHKGCO-ZWNOBZJWSA-N 1 0 210.365 2.282 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]C2CC2)C1 ZINC000038124144 176052585 /nfs/dbraw/zinc/05/25/85/176052585.db2.gz ORSBLDBYZHBNNM-ZWNOBZJWSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCOCC2(C)C)C1 ZINC000053929946 176061679 /nfs/dbraw/zinc/06/16/79/176061679.db2.gz GUKIQYXEPATGTN-NEPJUHHUSA-N 1 0 239.359 2.103 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CCNCc1ccccn1 ZINC000053343361 176071094 /nfs/dbraw/zinc/07/10/94/176071094.db2.gz NTYLEYXJPXUGNX-CYBMUJFWSA-N 1 0 233.359 2.046 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1[C@@H]1COc2ccccc2[C@@H]1N ZINC000019270009 176075697 /nfs/dbraw/zinc/07/56/97/176075697.db2.gz RCZBRYRNGARONQ-KYOSRNDESA-N 1 0 246.354 2.322 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1[C@@H]1COc2ccccc2[C@@H]1O ZINC000044116171 176075872 /nfs/dbraw/zinc/07/58/72/176075872.db2.gz ZIAJAHNHZIKPEM-KYOSRNDESA-N 1 0 247.338 2.355 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1CCCC1 ZINC000037388754 176079009 /nfs/dbraw/zinc/07/90/09/176079009.db2.gz RSCDHOLASDWMMI-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946210 176081392 /nfs/dbraw/zinc/08/13/92/176081392.db2.gz DPVIUEUTGXAACA-KWCYVHTRSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@H]1CCCC[C@@H]1Oc1ccc(C[NH3+])cn1 ZINC000019280536 176082332 /nfs/dbraw/zinc/08/23/32/176082332.db2.gz BUNFRNZKPAUJIK-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccncn1 ZINC000054789833 176085566 /nfs/dbraw/zinc/08/55/66/176085566.db2.gz IGJLTZGUMUGVDG-NEPJUHHUSA-N 1 0 219.332 2.393 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152237 176087919 /nfs/dbraw/zinc/08/79/19/176087919.db2.gz UGSLQOUTAXOKRB-IKWCTNDRSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCCC[C@]1(CN)[N@H+](C)CC1CC1 ZINC000037925264 176090438 /nfs/dbraw/zinc/09/04/38/176090438.db2.gz COXGYQIZLJDOFG-DGCLKSJQSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1CCCN(c2nc3ccccc3o2)[C@H]1C[NH3+] ZINC000251597017 176104110 /nfs/dbraw/zinc/10/41/10/176104110.db2.gz BNPOBRLEYCJVSA-PWSUYJOCSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121366961 176114681 /nfs/dbraw/zinc/11/46/81/176114681.db2.gz MPHWBQSLMYAXLP-BBBLOLIVSA-N 1 0 239.281 2.420 10 0 BEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000042494736 176119684 /nfs/dbraw/zinc/11/96/84/176119684.db2.gz JIURMQFUUAPAMH-IJLUTSLNSA-N 1 0 240.391 2.397 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH+]2CCC(=O)CC2)[C@@H]1C ZINC000019436651 176120562 /nfs/dbraw/zinc/12/05/62/176120562.db2.gz PIMWGAJFYCFNOK-NQBHXWOUSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCNC2=O)[C@@H]1C ZINC000020055428 176124441 /nfs/dbraw/zinc/12/44/41/176124441.db2.gz NMJBNRZAZWJMTK-FDYHWXHSSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2cccnc2)C1 ZINC000036771017 176133587 /nfs/dbraw/zinc/13/35/87/176133587.db2.gz HLWLDTCGRVYMLR-UKRRQHHQSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCC[C@@]([NH3+])(c2noc(C(F)(F)F)n2)C1 ZINC000036764991 176133702 /nfs/dbraw/zinc/13/37/02/176133702.db2.gz FSRANNAZECSADK-MUWHJKNJSA-N 1 0 249.236 2.453 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000124195371 176139366 /nfs/dbraw/zinc/13/93/66/176139366.db2.gz DXZPDHYXZIXDHB-FRRDWIJNSA-N 1 0 248.374 2.009 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)C(=O)C2([NH3+])CCCC2)C1 ZINC000042495041 176140583 /nfs/dbraw/zinc/14/05/83/176140583.db2.gz WAPOXYDTKFLJEZ-NEPJUHHUSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2O)[C@@H]1C ZINC000037490103 176144786 /nfs/dbraw/zinc/14/47/86/176144786.db2.gz ILFVYWHABWMRFP-LBELIVKGSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@@H]1CCC[C@H](OC(=O)C2(C)CC[NH2+]CC2)C1 ZINC000062842590 176146018 /nfs/dbraw/zinc/14/60/18/176146018.db2.gz XWGUGRAAGHLSDT-NEPJUHHUSA-N 1 0 239.359 2.498 10 0 BEAERO C[C@@H]1CC[N@H+](CCc2ccccc2N)C1 ZINC000052918425 176169360 /nfs/dbraw/zinc/16/93/60/176169360.db2.gz RNGBBNLPWBXPBR-LLVKDONJSA-N 1 0 204.317 2.153 10 0 BEAERO C[C@@H]1CCN(Cc2cccc(F)c2)CCC[NH2+]1 ZINC000049665696 176176524 /nfs/dbraw/zinc/17/65/24/176176524.db2.gz ZMEFRADJQFEMAU-GFCCVEGCSA-N 1 0 236.334 2.400 10 0 BEAERO C[C@@H]1CCN(Cc2csc(C[NH3+])n2)[C@H](C)C1 ZINC000052510108 176178131 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ZINC000036764992 177127822 /nfs/dbraw/zinc/12/78/22/177127822.db2.gz FSRANNAZECSADK-RCOVLWMOSA-N 1 0 249.236 2.453 10 0 BEAERO C[C@H]1CCC[C@@](CO)(Nc2cc[nH+]cc2N)C1 ZINC000053114686 177127932 /nfs/dbraw/zinc/12/79/32/177127932.db2.gz HEIKEODPEMCKAP-GXFFZTMASA-N 1 0 235.331 2.017 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)N2CCC[C@@H](C)CC2)[NH2+]1 ZINC000104367410 177129180 /nfs/dbraw/zinc/12/91/80/177129180.db2.gz XDDHWFSJXJJXDY-FRRDWIJNSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000055122003 177135737 /nfs/dbraw/zinc/13/57/37/177135737.db2.gz ICCHQKOIXNRADO-ZDEQEGDKSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000049714591 177136828 /nfs/dbraw/zinc/13/68/28/177136828.db2.gz OVMRKOBDLAOSIC-AXFHLTTASA-N 1 0 207.321 2.324 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000020075212 177137027 /nfs/dbraw/zinc/13/70/27/177137027.db2.gz RHRGCUPTAAENAK-LOWVWBTDSA-N 1 0 221.348 2.334 10 0 BEAERO C[C@H]1CCC[C@H](Oc2cc(C(N)=[NH2+])ccn2)C1 ZINC000036915117 177138537 /nfs/dbraw/zinc/13/85/37/177138537.db2.gz TWJOBLJYFMYZIT-ONGXEEELSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@H]1CCN(CCc2ccccc2)[C@H](C[NH3+])C1 ZINC000111679926 177162599 /nfs/dbraw/zinc/16/25/99/177162599.db2.gz UUGYKHMSNDQMLG-ZFWWWQNUSA-N 1 0 232.371 2.288 10 0 BEAERO C[C@@H]1CCN(Cc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666611 177166881 /nfs/dbraw/zinc/16/68/81/177166881.db2.gz YSOGIQDBJVRFQZ-BETUJISGSA-N 1 0 233.359 2.044 10 0 BEAERO C[C@H]1CC[N@@H+]([C@@H](CN)c2ccccc2)C1 ZINC000042278822 177169667 /nfs/dbraw/zinc/16/96/67/177169667.db2.gz GLBLILZAPAZPKL-AAEUAGOBSA-N 1 0 204.317 2.028 10 0 BEAERO C[C@@H](c1ccco1)N1CCC[NH2+][C@@H](C)CC1 ZINC000044390338 177170334 /nfs/dbraw/zinc/17/03/34/177170334.db2.gz QJHOVKVZUNURQL-RYUDHWBXSA-N 1 0 222.332 2.415 10 0 BEAERO C[C@H]1CCN(c2cccc(F)c2)CCC[NH2+]1 ZINC000049662818 177171299 /nfs/dbraw/zinc/17/12/99/177171299.db2.gz JPSPEDBQPXFZGH-NSHDSACASA-N 1 0 222.307 2.404 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(Cl)cn1 ZINC000335656521 177174221 /nfs/dbraw/zinc/17/42/21/177174221.db2.gz KUAHDJSBUVJDLX-WPRPVWTQSA-N 1 0 225.723 2.145 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncccc1Cl ZINC000335655355 177174812 /nfs/dbraw/zinc/17/48/12/177174812.db2.gz ATIMKQPSOVMSDV-WPRPVWTQSA-N 1 0 225.723 2.145 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)Nc2cccc(F)c2)C[NH2+]1 ZINC000019488802 177181692 /nfs/dbraw/zinc/18/16/92/177181692.db2.gz KLHAKUSKSDAQPK-VHSXEESVSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC1CCCC1 ZINC000055127042 177190943 /nfs/dbraw/zinc/19/09/43/177190943.db2.gz AHIFRQFEYCAMHH-UHTWSYAYSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC(C)(C)C ZINC000112697700 177198007 /nfs/dbraw/zinc/19/80/07/177198007.db2.gz WAOKBQYAGBDMQS-QWRGUYRKSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1CC[C@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000294018876 177203261 /nfs/dbraw/zinc/20/32/61/177203261.db2.gz HFCZIAJOQQASIY-JQWIXIFHSA-N 1 0 232.327 2.334 10 0 BEAERO C[C@@H]1CN(CC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000020071806 177254858 /nfs/dbraw/zinc/25/48/58/177254858.db2.gz QWBQINSEJBQQOP-GUTXKFCHSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@H]1C[N@H+](Cc2ccc(CO)cc2)CCS1 ZINC000163157426 177261793 /nfs/dbraw/zinc/26/17/93/177261793.db2.gz YWMASDRQBQFSGF-NSHDSACASA-N 1 0 237.368 2.116 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCCCF ZINC000367211694 177280530 /nfs/dbraw/zinc/28/05/30/177280530.db2.gz MJRBMBDYQXSWDF-STQMWFEESA-N 1 0 228.355 2.295 10 0 BEAERO C[C@H]1C[NH+]=C(NCCc2cccs2)S1 ZINC000035294986 177281490 /nfs/dbraw/zinc/28/14/90/177281490.db2.gz AMKFCDMSCVBMJB-QMMMGPOBSA-N 1 0 226.370 2.372 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2ccc(F)cc2F)C1 ZINC000049664619 177281921 /nfs/dbraw/zinc/28/19/21/177281921.db2.gz CJINPVSPRVWUPA-JTQLQIEISA-N 1 0 240.297 2.401 10 0 BEAERO C[C@H]1CNCC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046681 177282562 /nfs/dbraw/zinc/28/25/62/177282562.db2.gz NMZHWCNDTDUUQU-LBPRGKRZSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@H]1C[NH2+]CCN(c2ccc(F)c(F)c2F)C1 ZINC000049661073 177283087 /nfs/dbraw/zinc/28/30/87/177283087.db2.gz ZZXRLXSVOSKJTA-QMMMGPOBSA-N 1 0 244.260 2.150 10 0 BEAERO C[C@H]1C[NH2+]CCN1CC/C=C/c1ccccc1 ZINC000085340207 177283916 /nfs/dbraw/zinc/28/39/16/177283916.db2.gz KWGVGUOIYXQNRS-KVEVGEHQSA-N 1 0 230.355 2.384 10 0 BEAERO C[C@H]1CNCC[N@@H+]1CC12CC3CC(CC(C3)C1)C2 ZINC000054372334 177284283 /nfs/dbraw/zinc/28/42/83/177284283.db2.gz FRITVCYSWAGGRC-AXQFOSQISA-N 1 0 248.414 2.497 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(F)cc2F)O1 ZINC000036673239 177285435 /nfs/dbraw/zinc/28/54/35/177285435.db2.gz DZZBMQZTFQSKLM-CPCISQLKSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H](c1ccccc1)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000039110024 177286552 /nfs/dbraw/zinc/28/65/52/177286552.db2.gz YXHFMWCYJGCYBL-AGIUHOORSA-N 1 0 218.344 2.430 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1CC[C@H](O)c1ccccc1 ZINC000290540461 177298038 /nfs/dbraw/zinc/29/80/38/177298038.db2.gz ZVTIDFMWJBKAJM-GUTXKFCHSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@H]1CSC(NCCc2ccsc2)=[NH+]1 ZINC000049185319 177303499 /nfs/dbraw/zinc/30/34/99/177303499.db2.gz GHFBXIGOKLTZJK-QMMMGPOBSA-N 1 0 226.370 2.372 10 0 BEAERO C[C@H]1C[C@@H](c2ccc3c(c2)OCCCO3)C[NH2+]1 ZINC000071202245 177337901 /nfs/dbraw/zinc/33/79/01/177337901.db2.gz GGWOKHWUKIWMGH-CMPLNLGQSA-N 1 0 233.311 2.313 10 0 BEAERO C[C@@H]([NH3+])c1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000052300466 177348290 /nfs/dbraw/zinc/34/82/90/177348290.db2.gz CKVDZOHBCOQJID-SBMIAAHKSA-N 1 0 233.315 2.236 10 0 BEAERO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000054292854 177355056 /nfs/dbraw/zinc/35/50/56/177355056.db2.gz VFPABHLDPYRZSS-AGIUHOORSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCOC2)C[C@H](C)O1 ZINC000341490461 177362710 /nfs/dbraw/zinc/36/27/10/177362710.db2.gz SNLZBNIUDIJJGW-CRWXNKLISA-N 1 0 241.375 2.206 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C[C@H](C)O1 ZINC000340380047 177363314 /nfs/dbraw/zinc/36/33/14/177363314.db2.gz CXIGYBZEYBUURH-YVECIDJPSA-N 1 0 241.375 2.347 10 0 BEAERO C[C@@H]([NH3+])c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000022220703 177377204 /nfs/dbraw/zinc/37/72/04/177377204.db2.gz XMSJWGSEYUTNLU-YGOYTEALSA-N 1 0 218.300 2.301 10 0 BEAERO C[C@H]1Cc2cc(C(=O)C3CC[NH2+]CC3)ccc2O1 ZINC000037175878 177389091 /nfs/dbraw/zinc/38/90/91/177389091.db2.gz SMZAIRCXTKOQGK-JTQLQIEISA-N 1 0 245.322 2.192 10 0 BEAERO C[C@H]1Cc2ccccc2N1C(C)(C)C[NH3+] ZINC000082639660 177390281 /nfs/dbraw/zinc/39/02/81/177390281.db2.gz VEFLZOUCUPRWSD-JTQLQIEISA-N 1 0 204.317 2.175 10 0 BEAERO C[C@](O)(C[NH3+])CCOc1cccc2ccccc21 ZINC000019668355 177448794 /nfs/dbraw/zinc/44/87/94/177448794.db2.gz FIXLYTNKPDVINS-OAHLLOKOSA-N 1 0 245.322 2.318 10 0 BEAERO C[C@](O)(c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000071550471 177452036 /nfs/dbraw/zinc/45/20/36/177452036.db2.gz MRBJTNLQGHGRKY-GWCFXTLKSA-N 1 0 241.281 2.172 10 0 BEAERO Cc1nc[nH]c1C[NH2+]C1CCC(C)CC1 ZINC000054793772 177529565 /nfs/dbraw/zinc/52/95/65/177529565.db2.gz QYZZGTRAXHAIIE-UHFFFAOYSA-N 1 0 207.321 2.386 10 0 BEAERO Cc1c(C[NH3+])nnn1-c1ccc(C(C)C)cc1 ZINC000020391588 177584967 /nfs/dbraw/zinc/58/49/67/177584967.db2.gz FRDAMNACMLMEPE-UHFFFAOYSA-N 1 0 230.315 2.158 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079520322 487641731 /nfs/dbraw/zinc/64/17/31/487641731.db2.gz NQWJIYIPMWKROD-DYEKYZERSA-N 1 0 238.375 2.166 10 0 BEAERO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000400353898 226341694 /nfs/dbraw/zinc/34/16/94/226341694.db2.gz ANJKMOQCIAHGTE-GRYCIOLGSA-N 1 0 222.332 2.237 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400752624 226351387 /nfs/dbraw/zinc/35/13/87/226351387.db2.gz WALRSTNCNRIPKL-OUCADQQQSA-N 1 0 246.354 2.098 10 0 BEAERO CO[C@H](C[N@@H+]1C[C@@H](C)C[C@H](O)C1)c1ccccc1 ZINC000401569606 226359704 /nfs/dbraw/zinc/35/97/04/226359704.db2.gz DDZQCPAGGSKPIJ-AEGPPILISA-N 1 0 249.354 2.077 10 0 BEAERO Cc1cccc(OCC[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1 ZINC000401853132 226362371 /nfs/dbraw/zinc/36/23/71/226362371.db2.gz VSLUINKXPLMYSJ-ZIAGYGMSSA-N 1 0 249.354 2.077 10 0 BEAERO COCC[N@H+](CC(C)C)C[C@@H]1CCC[C@@H](O)C1 ZINC000383663406 487658932 /nfs/dbraw/zinc/65/89/32/487658932.db2.gz JZKPANAGXHHOPZ-ZIAGYGMSSA-N 1 0 243.391 2.142 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000228491495 487662022 /nfs/dbraw/zinc/66/20/22/487662022.db2.gz AZZCHCGSEFWKJE-NQBHXWOUSA-N 1 0 240.391 2.301 10 0 BEAERO CC[C@@H](NC(=O)CCCC[NH3+])c1ccccc1 ZINC000070203664 487668200 /nfs/dbraw/zinc/66/82/00/487668200.db2.gz NRTHKOMQFVAIML-CYBMUJFWSA-N 1 0 234.343 2.383 10 0 BEAERO CC[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)OC ZINC000397006804 262750360 /nfs/dbraw/zinc/75/03/60/262750360.db2.gz CJYGGEKRLPQHAE-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cn[nH]c2)C12CCC2 ZINC000308396007 229429170 /nfs/dbraw/zinc/42/91/70/229429170.db2.gz PPABHNZJJLJQEE-ADEWGFFLSA-N 1 0 235.331 2.018 10 0 BEAERO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1cccs1 ZINC000399218041 262780101 /nfs/dbraw/zinc/78/01/01/262780101.db2.gz BAIYQTIRDMGEIX-KWQFWETISA-N 1 0 238.356 2.053 10 0 BEAERO CCOC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000383884241 487678639 /nfs/dbraw/zinc/67/86/39/487678639.db2.gz KGPJXLFNYSUXDO-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000054073570 487681838 /nfs/dbraw/zinc/68/18/38/487681838.db2.gz ORUAHDMQTSJETE-DGCLKSJQSA-N 1 0 248.370 2.498 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000054076398 487683421 /nfs/dbraw/zinc/68/34/21/487683421.db2.gz ABADRQMBLOWTKL-BDAKNGLRSA-N 1 0 240.734 2.125 10 0 BEAERO CCCC1CCC(NC(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054076643 487683609 /nfs/dbraw/zinc/68/36/09/487683609.db2.gz HUHWRAYLKALDID-VOMCLLRMSA-N 1 0 226.364 2.069 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000054075687 487683631 /nfs/dbraw/zinc/68/36/31/487683631.db2.gz XNYPQQPPALMRJS-DTWKUNHWSA-N 1 0 240.734 2.125 10 0 BEAERO CC[C@H](C)CC[NH2+]Cc1cnn(C)c1C ZINC000394428254 487684577 /nfs/dbraw/zinc/68/45/77/487684577.db2.gz SFOBSSIKWLIVIL-JTQLQIEISA-N 1 0 209.337 2.254 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCC1CCCC1 ZINC000399172105 262777634 /nfs/dbraw/zinc/77/76/34/262777634.db2.gz OPGIGEOBPPDKTQ-AAEUAGOBSA-N 1 0 211.349 2.412 10 0 BEAERO OCC1CC([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527724630 262876487 /nfs/dbraw/zinc/87/64/87/262876487.db2.gz ALHVFVQVISFPJK-UHFFFAOYSA-N 1 0 230.311 2.028 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(F)c1 ZINC000054290252 487708699 /nfs/dbraw/zinc/70/86/99/487708699.db2.gz CSDGCIBRTUCXLG-SNVBAGLBSA-N 1 0 236.290 2.154 10 0 BEAERO CC[C@H]([NH2+]CCc1nc(C)no1)C(C)(C)C ZINC000336734731 487712374 /nfs/dbraw/zinc/71/23/74/487712374.db2.gz LDMBKSIQOCMMJJ-JTQLQIEISA-N 1 0 225.336 2.335 10 0 BEAERO CCN(C(=O)C[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000136303698 487723659 /nfs/dbraw/zinc/72/36/59/487723659.db2.gz VOBMLFSBODNTOH-CYBMUJFWSA-N 1 0 234.343 2.413 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000251043446 487747130 /nfs/dbraw/zinc/74/71/30/487747130.db2.gz MBXSVDFLMNXZRO-SDDRHHMPSA-N 1 0 240.391 2.254 10 0 BEAERO CC[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000233891746 487751567 /nfs/dbraw/zinc/75/15/67/487751567.db2.gz HJLUNXWMFWHASI-VXGBXAGGSA-N 1 0 240.391 2.315 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(Cl)ccn1 ZINC000233979018 487756324 /nfs/dbraw/zinc/75/63/24/487756324.db2.gz CTBLZQWEDDZRML-XCBNKYQSSA-N 1 0 241.722 2.047 10 0 BEAERO CC[C@H](NC(=O)C[NH2+]C(C)C)c1ccccc1 ZINC000051628613 487762653 /nfs/dbraw/zinc/76/26/53/487762653.db2.gz HUDKFVQUVAANOS-ZDUSSCGKSA-N 1 0 234.343 2.252 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C(C)C)CC1 ZINC000146197319 487765309 /nfs/dbraw/zinc/76/53/09/487765309.db2.gz YHKCJKZUUISBDV-ZDUSSCGKSA-N 1 0 240.391 2.254 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000251798062 487797760 /nfs/dbraw/zinc/79/77/60/487797760.db2.gz KHJPYHQMQMKJGL-SRVKXCTJSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000251907183 487806943 /nfs/dbraw/zinc/80/69/43/487806943.db2.gz SZJWPXIVYJXRNT-VOAKCMCISA-N 1 0 238.375 2.056 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000367602677 487816022 /nfs/dbraw/zinc/81/60/22/487816022.db2.gz VIMIXFZOKUEPTO-VEGXAWMVSA-N 1 0 227.323 2.424 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000089449482 487816165 /nfs/dbraw/zinc/81/61/65/487816165.db2.gz YOMPRQXJHQOWRJ-JOYOIKCWSA-N 1 0 236.290 2.139 10 0 BEAERO CCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089450743 487816851 /nfs/dbraw/zinc/81/68/51/487816851.db2.gz XAFYZRGSVVDRGH-YPMHNXCESA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCC[C@H]1C ZINC000252125213 487816886 /nfs/dbraw/zinc/81/68/86/487816886.db2.gz JYXZLQUEMPXAQJ-UTUOFQBUSA-N 1 0 226.364 2.055 10 0 BEAERO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089449314 487818242 /nfs/dbraw/zinc/81/82/42/487818242.db2.gz QVAIMCSSYOEEHZ-UONOGXRCSA-N 1 0 246.354 2.020 10 0 BEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089448607 487818265 /nfs/dbraw/zinc/81/82/65/487818265.db2.gz WQVMIHUDYOMBDN-YUTCNCBUSA-N 1 0 246.354 2.239 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000252594947 487827542 /nfs/dbraw/zinc/82/75/42/487827542.db2.gz HABZZHHHACLWQR-YUTCNCBUSA-N 1 0 246.354 2.252 10 0 BEAERO C[C@@H](N(C)C(=O)[C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000252651593 487828266 /nfs/dbraw/zinc/82/82/66/487828266.db2.gz SDTSKEUVSFDTED-TUAOUCFPSA-N 1 0 240.391 2.268 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403328159 322946355 /nfs/dbraw/zinc/94/63/55/322946355.db2.gz BCYCOEIIBDSSDY-YVECIDJPSA-N 1 0 225.376 2.419 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCOc3ccccc32)C1 ZINC000401795101 487832327 /nfs/dbraw/zinc/83/23/27/487832327.db2.gz YHIPBHHSVYZHFQ-SCRDCRAPSA-N 1 0 246.354 2.098 10 0 BEAERO CCCCCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000161408463 632002908 /nfs/dbraw/zinc/00/29/08/632002908.db2.gz BBUBTPFMGDAWEC-GFCCVEGCSA-N 1 0 228.380 2.413 10 0 BEAERO CC[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000089747704 487851841 /nfs/dbraw/zinc/85/18/41/487851841.db2.gz HTKZHHBRZINALU-OCCSQVGLSA-N 1 0 246.354 2.254 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000253126640 487855262 /nfs/dbraw/zinc/85/52/62/487855262.db2.gz LYPDXDHALFBSQK-JHJVBQTASA-N 1 0 238.375 2.071 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000084447866 322960776 /nfs/dbraw/zinc/96/07/76/322960776.db2.gz YIQSJCYCWCRBPG-CBINBANVSA-N 1 0 237.368 2.486 10 0 BEAERO CCC[C@@H](CC)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129029196 487875143 /nfs/dbraw/zinc/87/51/43/487875143.db2.gz WQONOECTYVLWIF-GHMZBOCLSA-N 1 0 214.353 2.055 10 0 BEAERO Clc1cscc1CNC[C@H]1CC[NH2+]C1 ZINC000666845579 487889820 /nfs/dbraw/zinc/88/98/20/487889820.db2.gz WWEMQQATZDZQEJ-QMMMGPOBSA-N 1 0 230.764 2.101 10 0 BEAERO C[NH+](C)Cc1ccc(NCc2cncnc2)cc1 ZINC000054767823 487896776 /nfs/dbraw/zinc/89/67/76/487896776.db2.gz ZKPLPUZMJBDSEQ-UHFFFAOYSA-N 1 0 242.326 2.150 10 0 BEAERO CCCC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227432098 487899666 /nfs/dbraw/zinc/89/96/66/487899666.db2.gz QIFVQDIFZPUJNA-VXGBXAGGSA-N 1 0 238.375 2.058 10 0 BEAERO c1ccc2c(c1)CC[NH2+][C@@H]2CN1CCCCC1 ZINC000034628817 487921074 /nfs/dbraw/zinc/92/10/74/487921074.db2.gz MWFDWWMMOCTHRI-OAHLLOKOSA-N 1 0 230.355 2.359 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000659339776 487941487 /nfs/dbraw/zinc/94/14/87/487941487.db2.gz LTJCHVCRPRIJET-ZWNOBZJWSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccsc1 ZINC000050344423 487944357 /nfs/dbraw/zinc/94/43/57/487944357.db2.gz PSVSZUITJZZSOU-ZYHUDNBSSA-N 1 0 224.373 2.493 10 0 BEAERO [NH3+]CCc1cc(Cl)c2ccccc2n1 ZINC000147078137 487946694 /nfs/dbraw/zinc/94/66/94/487946694.db2.gz MSJCACSSFWERQX-UHFFFAOYSA-N 1 0 206.676 2.389 10 0 BEAERO CC(C)(C)c1nccc(C[NH3+])c1OC1CC1 ZINC000095738097 322971901 /nfs/dbraw/zinc/97/19/01/322971901.db2.gz DWTPEDQGSAQWPT-UHFFFAOYSA-N 1 0 220.316 2.379 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094520288 322977297 /nfs/dbraw/zinc/97/72/97/322977297.db2.gz GSYSTAJRDIWDNZ-UHFFFAOYSA-N 1 0 231.339 2.425 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000570507883 323061667 /nfs/dbraw/zinc/06/16/67/323061667.db2.gz MUDUDIBGNFQQIK-QJPTWQEYSA-N 1 0 246.345 2.400 10 0 BEAERO Cc1[nH+]c2c(n1C[C@H](O)C(C)(C)C)CCCC2 ZINC000216922515 323092239 /nfs/dbraw/zinc/09/22/39/323092239.db2.gz RORBJGQDMXTCFB-ZDUSSCGKSA-N 1 0 236.359 2.477 10 0 BEAERO C[N@H+](C[C@H]1CC=CCC1)[C@@H]1CCC[C@H]1O ZINC000563570380 323130361 /nfs/dbraw/zinc/13/03/61/323130361.db2.gz CMSNUXTYYUNBLY-YNEHKIRRSA-N 1 0 209.333 2.188 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000394860962 323151330 /nfs/dbraw/zinc/15/13/30/323151330.db2.gz PZLVQWBUWXHZBR-XQHKEYJVSA-N 1 0 238.375 2.069 10 0 BEAERO CCOC[C@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000111235343 323157386 /nfs/dbraw/zinc/15/73/86/323157386.db2.gz KEHLBJYGTHHOIJ-NSHDSACASA-N 1 0 247.342 2.088 10 0 BEAERO Clc1ccsc1CNC[C@@H]1CC[NH2+]C1 ZINC000398383687 323185442 /nfs/dbraw/zinc/18/54/42/323185442.db2.gz ICRPJPBLCKTCMV-MRVPVSSYSA-N 1 0 230.764 2.101 10 0 BEAERO CCC[C@H](C(=O)NCC1(C)CCCC1)[NH+](C)C ZINC000162068755 323591987 /nfs/dbraw/zinc/59/19/87/323591987.db2.gz AOYVPVDJFXWMAM-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO COc1ccccc1[C@H](C)N[C@@H]1CCC[NH2+][C@H]1C ZINC000396727759 323655496 /nfs/dbraw/zinc/65/54/96/323655496.db2.gz ZMCPVRFARAPPNX-SGMGOOAPSA-N 1 0 248.370 2.486 10 0 BEAERO c1nn(Cc2ccccc2)cc1C[C@H]1CCC[NH2+]1 ZINC000258258161 323947229 /nfs/dbraw/zinc/94/72/29/323947229.db2.gz BHTQTYQFFBDSPT-OAHLLOKOSA-N 1 0 241.338 2.226 10 0 BEAERO Cc1ccc([C@@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536952280 323958070 /nfs/dbraw/zinc/95/80/70/323958070.db2.gz CFLOEVRLOAJRMT-CYBMUJFWSA-N 1 0 219.328 2.200 10 0 BEAERO CC[C@@H]1C[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000536955265 323964959 /nfs/dbraw/zinc/96/49/59/323964959.db2.gz VZRQVWGAXPXICP-ZWNOBZJWSA-N 1 0 205.301 2.408 10 0 BEAERO CC[C@H]1C[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000536955256 323965206 /nfs/dbraw/zinc/96/52/06/323965206.db2.gz VZRQVWGAXPXICP-GWCFXTLKSA-N 1 0 205.301 2.408 10 0 BEAERO CC(C)Cn1ccc([C@@H]2[NH2+]C[C@]23CCOC3)c1 ZINC000536961359 323975151 /nfs/dbraw/zinc/97/51/51/323975151.db2.gz ZOZMXYBQIFZRHL-KBPBESRZSA-N 1 0 234.343 2.195 10 0 BEAERO COCc1cccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400783521 324169030 /nfs/dbraw/zinc/16/90/30/324169030.db2.gz QBICPSNVEBHMJK-DGCLKSJQSA-N 1 0 234.343 2.243 10 0 BEAERO CC1(C)CC(C[N@@H+]2CC[C@H](CCO)C2)C1 ZINC000528389389 324217703 /nfs/dbraw/zinc/21/77/03/324217703.db2.gz LJESNHPPSDTBRE-LLVKDONJSA-N 1 0 211.349 2.127 10 0 BEAERO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1cscn1 ZINC000127871646 324792829 /nfs/dbraw/zinc/79/28/29/324792829.db2.gz LYLQUUNWQQZZMP-ONGXEEELSA-N 1 0 228.361 2.201 10 0 BEAERO CCCN(CC)CC[NH2+][C@H]1CCCSC1 ZINC000128312629 324823959 /nfs/dbraw/zinc/82/39/59/324823959.db2.gz VDHGYDDEISDWHG-LBPRGKRZSA-N 1 0 230.421 2.204 10 0 BEAERO CC[C@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129355153 324939853 /nfs/dbraw/zinc/93/98/53/324939853.db2.gz HTPTUGUYAMXRNS-HIFPTAJRSA-N 1 0 240.391 2.269 10 0 BEAERO COC[C@H](C)C[N@H+](C)Cc1ccccc1OC ZINC000131914107 325190255 /nfs/dbraw/zinc/19/02/55/325190255.db2.gz AVDDTIWTPLCUSF-GFCCVEGCSA-N 1 0 237.343 2.410 10 0 BEAERO COC[C@H](C)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000131913637 325190406 /nfs/dbraw/zinc/19/04/06/325190406.db2.gz QKIKGQYEZWMXML-GFCCVEGCSA-N 1 0 237.343 2.410 10 0 BEAERO C[C@@H]([NH3+])CCNC(=O)c1ccccc1C(C)(C)C ZINC000132800232 325246313 /nfs/dbraw/zinc/24/63/13/325246313.db2.gz KVSIZYCYKZTMFE-LLVKDONJSA-N 1 0 248.370 2.451 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cccc(F)c1F ZINC000235203456 325252777 /nfs/dbraw/zinc/25/27/77/325252777.db2.gz BDUGLPGHSMQVIC-XNWIYYODSA-N 1 0 241.281 2.386 10 0 BEAERO CCC[C@H](C(=O)NCC1(C)CCC1)[NH+](C)C ZINC000133885831 325326510 /nfs/dbraw/zinc/32/65/10/325326510.db2.gz RSMSRFSMMIDVHZ-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC(C)(C)C ZINC000076511711 325347154 /nfs/dbraw/zinc/34/71/54/325347154.db2.gz PSLWBXYRBDVOAK-NSHDSACASA-N 1 0 243.395 2.062 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)nc1 ZINC000134349538 325354987 /nfs/dbraw/zinc/35/49/87/325354987.db2.gz XDCOLQGWTCPNMU-TZMCWYRMSA-N 1 0 234.343 2.031 10 0 BEAERO C[C@@H](O)C(C)(C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000134376160 325356006 /nfs/dbraw/zinc/35/60/06/325356006.db2.gz PSBXSONVBZHPQP-VHSXEESVSA-N 1 0 227.373 2.428 10 0 BEAERO CSCCCC[NH2+][C@@H](C)CCn1cccn1 ZINC000134625914 325368740 /nfs/dbraw/zinc/36/87/40/325368740.db2.gz CDSIUIMGFAHLGM-LBPRGKRZSA-N 1 0 241.404 2.395 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCO[C@H]1C ZINC000245903526 325532833 /nfs/dbraw/zinc/53/28/33/325532833.db2.gz BPKCLDJBSAMWQB-IPYPFGDCSA-N 1 0 249.354 2.359 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C1CCC1 ZINC000248129226 325601014 /nfs/dbraw/zinc/60/10/14/325601014.db2.gz OHFGJIYQHQTRDE-CYZMBNFOSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1cc(F)ccc1F ZINC000091415971 325686519 /nfs/dbraw/zinc/68/65/19/325686519.db2.gz JVDVPTINLBDYCA-SILCLGDVSA-N 1 0 241.281 2.386 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cc(F)cc(F)c1 ZINC000094827799 325785919 /nfs/dbraw/zinc/78/59/19/325785919.db2.gz MDCNNKFHZLNXPH-BGQFSCJGSA-N 1 0 241.281 2.386 10 0 BEAERO CC(C)c1nc2c(n1C)CC[N@H+](CC1CC1)C2 ZINC000156255861 326225225 /nfs/dbraw/zinc/22/52/25/326225225.db2.gz RGLAUJPKUIDCMX-UHFFFAOYSA-N 1 0 233.359 2.312 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncnc2ccsc21 ZINC000165746065 326426033 /nfs/dbraw/zinc/42/60/33/326426033.db2.gz AMZKFEBRRFHONL-SFYZADRCSA-N 1 0 236.344 2.229 10 0 BEAERO CC[C@H]([NH2+]Cc1ncnn1C(C)C)C(C)C ZINC000083977872 487978771 /nfs/dbraw/zinc/97/87/71/487978771.db2.gz LVDYBSSWZCBLQB-NSHDSACASA-N 1 0 224.352 2.383 10 0 BEAERO CC(C)C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000307849418 487998178 /nfs/dbraw/zinc/99/81/78/487998178.db2.gz XQCWBHTYWXUVBC-YNEHKIRRSA-N 1 0 211.349 2.268 10 0 BEAERO COC[C@@H](C)[NH2+]Cc1cc(OC)ccc1Cl ZINC000309663242 487999769 /nfs/dbraw/zinc/99/97/69/487999769.db2.gz SFBBTOZZVCCUCJ-SECBINFHSA-N 1 0 243.734 2.473 10 0 BEAERO Cc1cc(Br)cnc1[C@H](C)[NH3+] ZINC000215338982 488009595 /nfs/dbraw/zinc/00/95/95/488009595.db2.gz DPNIINIKFQBHRO-LURJTMIESA-N 1 0 215.094 2.172 10 0 BEAERO C[C@H]1CN(c2nccc3ccccc32)C[C@@H]1[NH3+] ZINC000235725246 488010650 /nfs/dbraw/zinc/01/06/50/488010650.db2.gz WCNDWIUORFNDBP-GWCFXTLKSA-N 1 0 227.311 2.018 10 0 BEAERO COC[C@@H](C)C[NH2+][C@H]1CCOc2ccccc21 ZINC000045656779 488014659 /nfs/dbraw/zinc/01/46/59/488014659.db2.gz LPBMARROGFGIBO-AAEUAGOBSA-N 1 0 235.327 2.382 10 0 BEAERO COC[C@H](C)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000045656777 488014742 /nfs/dbraw/zinc/01/47/42/488014742.db2.gz LPBMARROGFGIBO-DGCLKSJQSA-N 1 0 235.327 2.382 10 0 BEAERO CCO[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000310126758 488018132 /nfs/dbraw/zinc/01/81/32/488018132.db2.gz JJZKLOKCMDKTHA-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000135198421 488022094 /nfs/dbraw/zinc/02/20/94/488022094.db2.gz PSAUKEZZXHCKTG-CPCZMJQVSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CNC1 ZINC000084416999 488051390 /nfs/dbraw/zinc/05/13/90/488051390.db2.gz DONZIFXGXJWCDP-RYUDHWBXSA-N 1 0 210.365 2.153 10 0 BEAERO CC(C)CCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159565846 488062094 /nfs/dbraw/zinc/06/20/94/488062094.db2.gz AJOKPBDDKFUYCL-CYBMUJFWSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1c2ccccc2C[C@@H]1C ZINC000136300409 488092455 /nfs/dbraw/zinc/09/24/55/488092455.db2.gz LPLVJXFOQJOLSP-WCQYABFASA-N 1 0 246.354 2.338 10 0 BEAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1F ZINC000136303039 488093790 /nfs/dbraw/zinc/09/37/90/488093790.db2.gz GBTZAANISTUCQC-GFCCVEGCSA-N 1 0 238.306 2.446 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)C1CCCCC1 ZINC000136451612 488103570 /nfs/dbraw/zinc/10/35/70/488103570.db2.gz RGYVHQSKLFOWPB-YPMHNXCESA-N 1 0 240.391 2.445 10 0 BEAERO CCC1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000092956171 488105198 /nfs/dbraw/zinc/10/51/98/488105198.db2.gz VTKGCZHGDOQVPA-YWPUVAFDSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCCC1(C)C ZINC000136487884 488105686 /nfs/dbraw/zinc/10/56/86/488105686.db2.gz HIOOGSQKWINQRR-NEPJUHHUSA-N 1 0 240.391 2.445 10 0 BEAERO Cc1ccccc1CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136487185 488106012 /nfs/dbraw/zinc/10/60/12/488106012.db2.gz BDGCNQICECEWDS-AWEZNQCLSA-N 1 0 248.370 2.027 10 0 BEAERO Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)c(C)n1 ZINC000136488850 488106051 /nfs/dbraw/zinc/10/60/51/488106051.db2.gz WUORZSDBBJFLAO-NSHDSACASA-N 1 0 235.331 2.010 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000252181213 487536658 /nfs/dbraw/zinc/53/66/58/487536658.db2.gz QBHYBSBPNLQFCQ-AGIUHOORSA-N 1 0 238.375 2.010 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCS1 ZINC000309723903 488111349 /nfs/dbraw/zinc/11/13/49/488111349.db2.gz CPCKIVDEZIUISV-FRRDWIJNSA-N 1 0 243.416 2.365 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)CCS1 ZINC000309723905 488111438 /nfs/dbraw/zinc/11/14/38/488111438.db2.gz CPCKIVDEZIUISV-RWMBFGLXSA-N 1 0 243.416 2.365 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000233302505 488126333 /nfs/dbraw/zinc/12/63/33/488126333.db2.gz MRBLSKZEMIEMPS-XQQFMLRXSA-N 1 0 240.391 2.302 10 0 BEAERO OCC1CC([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000168926678 487553223 /nfs/dbraw/zinc/55/32/23/487553223.db2.gz WEZIZBZWCZGCPT-UHFFFAOYSA-N 1 0 223.360 2.316 10 0 BEAERO CC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000227727680 487493412 /nfs/dbraw/zinc/49/34/12/487493412.db2.gz PGCNQSKNKJORTG-QWHCGFSZSA-N 1 0 211.349 2.269 10 0 BEAERO CC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000227727682 487493971 /nfs/dbraw/zinc/49/39/71/487493971.db2.gz PGCNQSKNKJORTG-OLZOCXBDSA-N 1 0 211.349 2.269 10 0 BEAERO C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000300246302 487505864 /nfs/dbraw/zinc/50/58/64/487505864.db2.gz JAUWHKZGSYAWAO-CLLJXQQHSA-N 1 0 244.338 2.391 10 0 BEAERO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC(CO)C1 ZINC000668780081 487526094 /nfs/dbraw/zinc/52/60/94/487526094.db2.gz VYKFXGSKCKNJGW-XGNXJENSSA-N 1 0 249.354 2.074 10 0 BEAERO CCCN(CCC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128856782 487559724 /nfs/dbraw/zinc/55/97/24/487559724.db2.gz SQRPRAOOOFWKAZ-LLVKDONJSA-N 1 0 214.353 2.008 10 0 BEAERO CC[C@@H](CO)[NH2+]Cc1cccc2cnccc21 ZINC000061125033 487606681 /nfs/dbraw/zinc/60/66/81/487606681.db2.gz COBKTNCXWWROGC-ZDUSSCGKSA-N 1 0 230.311 2.095 10 0 BEAERO C[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000226920527 488085645 /nfs/dbraw/zinc/08/56/45/488085645.db2.gz JHYNHAIQTDKNPB-ZDEQEGDKSA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC1CCC(C)(C)CC1 ZINC000136470754 488104865 /nfs/dbraw/zinc/10/48/65/488104865.db2.gz AQVOFOJPDQUVMD-GFCCVEGCSA-N 1 0 240.391 2.445 10 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FQRJEIVBKUFFNK-REWJHTLYSA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000380095727 488174547 /nfs/dbraw/zinc/17/45/47/488174547.db2.gz OFXSKRQWWZARQP-JHJVBQTASA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC000137527703 488176915 /nfs/dbraw/zinc/17/69/15/488176915.db2.gz RVAYWHXSZCDICD-GFCCVEGCSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccnc2ccccc12 ZINC000310675718 488187805 /nfs/dbraw/zinc/18/78/05/488187805.db2.gz JHRGAPPIPKEQSN-RISCZKNCSA-N 1 0 241.338 2.156 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)CC2([NH3+])CC2)cc1 ZINC000398125807 488211961 /nfs/dbraw/zinc/21/19/61/488211961.db2.gz STFVBGMGFQODIE-NSHDSACASA-N 1 0 246.354 2.308 10 0 BEAERO O=C(CC1=CCCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000110535094 488215287 /nfs/dbraw/zinc/21/52/87/488215287.db2.gz FTYLECJVLUOBOG-PBWFPOADSA-N 1 0 248.370 2.276 10 0 BEAERO CCC(CC)(C[NH2+][C@H]1CO[C@@H](C2CC2)C1)OC ZINC000668188893 488217597 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490131959 /nfs/dbraw/zinc/13/19/59/490131959.db2.gz PQHBMTYDKABBBZ-XQQFMLRXSA-N 1 0 241.375 2.037 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000313068476 490242966 /nfs/dbraw/zinc/24/29/66/490242966.db2.gz HENKEFQRDJJDSN-NEPJUHHUSA-N 1 0 238.375 2.214 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000229930562 490366887 /nfs/dbraw/zinc/36/68/87/490366887.db2.gz XIGJJFOTQJYONN-CMPLNLGQSA-N 1 0 248.374 2.082 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCOC2)s1 ZINC000125268624 490425746 /nfs/dbraw/zinc/42/57/46/490425746.db2.gz KLIXCYGGAOYKLW-VHSXEESVSA-N 1 0 226.345 2.281 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCOC2)s1 ZINC000125268847 490426044 /nfs/dbraw/zinc/42/60/44/490426044.db2.gz KLIXCYGGAOYKLW-ZJUUUORDSA-N 1 0 226.345 2.281 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccnc1 ZINC000217659851 490479407 /nfs/dbraw/zinc/47/94/07/490479407.db2.gz FMSCPHGAKLLGHZ-CYZMBNFOSA-N 1 0 220.316 2.036 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000217677192 490480407 /nfs/dbraw/zinc/48/04/07/490480407.db2.gz OGVJNBPEFGIYDB-FRRDWIJNSA-N 1 0 237.343 2.494 10 0 BEAERO C[C@H](CC1CCC1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000128780012 490524837 /nfs/dbraw/zinc/52/48/37/490524837.db2.gz NPYMQNIHUANIMB-LLVKDONJSA-N 1 0 246.354 2.454 10 0 BEAERO CC[C@@]1(C)CCC[N@H+](Cc2cncnc2)C1 ZINC000127230071 490542209 /nfs/dbraw/zinc/54/22/09/490542209.db2.gz XSBTWDZYAJJIJC-ZDUSSCGKSA-N 1 0 219.332 2.489 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000300519452 490564973 /nfs/dbraw/zinc/56/49/73/490564973.db2.gz LVGUCMMGRLYDTF-IGQOVBAYSA-N 1 0 241.375 2.085 10 0 BEAERO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000300591641 490566677 /nfs/dbraw/zinc/56/66/77/490566677.db2.gz JWSQQIXHBHNZLR-LNSITVRQSA-N 1 0 231.339 2.483 10 0 BEAERO Cc1ccncc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128037988 490568914 /nfs/dbraw/zinc/56/89/14/490568914.db2.gz MRTZNCSTGMNMGI-VXGBXAGGSA-N 1 0 219.332 2.285 10 0 BEAERO Nc1cccc(-c2cccc(CC[NH3+])c2)c1 ZINC000033427185 491075965 /nfs/dbraw/zinc/07/59/65/491075965.db2.gz QOPNYOHIEOAULW-UHFFFAOYSA-N 1 0 212.296 2.437 10 0 BEAERO [NH3+][C@H]1c2c(Cl)cc(Cl)cc2CC[C@@H]1O ZINC000039941508 491110642 /nfs/dbraw/zinc/11/06/42/491110642.db2.gz QASZXAAVJFJJSX-WCBMZHEXSA-N 1 0 232.110 2.300 10 0 BEAERO COc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136291297 491111840 /nfs/dbraw/zinc/11/18/40/491111840.db2.gz INMCOESZYSNLGO-GFCCVEGCSA-N 1 0 236.315 2.007 10 0 BEAERO Cc1c[nH+]ccc1NCC[C@@H]1CCCO1 ZINC000070047141 491117543 /nfs/dbraw/zinc/11/75/43/491117543.db2.gz GIRUCIWKNQEEHM-NSHDSACASA-N 1 0 206.289 2.371 10 0 BEAERO CN1CCC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000124843864 491128673 /nfs/dbraw/zinc/12/86/73/491128673.db2.gz LLHHJYRBJYWGMZ-WCQYABFASA-N 1 0 234.343 2.341 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1CO)[C@@H](C)c1ccccc1 ZINC000309504350 491150476 /nfs/dbraw/zinc/15/04/76/491150476.db2.gz BNRQKNUEPZRTKD-UVLXDEKHSA-N 1 0 219.328 2.149 10 0 BEAERO C[C@H]1C[NH2+]C[C@]2(CCCN2CC(F)(F)F)C1 ZINC000757126864 582501452 /nfs/dbraw/zinc/50/14/52/582501452.db2.gz HHQKEGFNBFZOSR-ZJUUUORDSA-N 1 0 236.281 2.013 10 0 BEAERO C[NH2+]Cc1sc(C(=O)[C@H]2C[C@H]2C)nc1C ZINC000757126928 582502230 /nfs/dbraw/zinc/50/22/30/582502230.db2.gz WSWIAWRJSUDEFT-SVRRBLITSA-N 1 0 224.329 2.010 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757130746 582505041 /nfs/dbraw/zinc/50/50/41/582505041.db2.gz NYYNHKFEJDZOOO-AGIUHOORSA-N 1 0 210.365 2.391 10 0 BEAERO C[C@@H]1C[C@H](C)OC2(CC(CF)(CF)C2)[NH2+]1 ZINC000757144682 582525565 /nfs/dbraw/zinc/52/55/65/582525565.db2.gz HBESDEZJIREZHZ-BDAKNGLRSA-N 1 0 219.275 2.189 10 0 BEAERO c1ccc(C[C@@H]2CCOC3(CCC3)[NH2+]2)cc1 ZINC000757151560 582535660 /nfs/dbraw/zinc/53/56/60/582535660.db2.gz QURRFPLVBCVMOU-ZDUSSCGKSA-N 1 0 217.312 2.488 10 0 BEAERO Cc1cc(C[S@](=O)[C@@H](C)C[NH3+])ccc1Cl ZINC000757155477 582539650 /nfs/dbraw/zinc/53/96/50/582539650.db2.gz CZZVWYKXCUCPNJ-VFZGTOFNSA-N 1 0 245.775 2.244 10 0 BEAERO Cc1cc(C[C@@H](O)[C@@H](C)C[NH3+])ccc1Cl ZINC000757159658 582541457 /nfs/dbraw/zinc/54/14/57/582541457.db2.gz PUJAXSLPXPFDDB-JOYOIKCWSA-N 1 0 227.735 2.147 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757218016 582562431 /nfs/dbraw/zinc/56/24/31/582562431.db2.gz UQJVWJSRKFMKCX-GXFFZTMASA-N 1 0 203.285 2.212 10 0 BEAERO CC(C)(C)C[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400363159 582569204 /nfs/dbraw/zinc/56/92/04/582569204.db2.gz BGNVULGVGONGOM-GFCCVEGCSA-N 1 0 207.321 2.207 10 0 BEAERO C[C@@H](C[N@@H+]1C[C@H](C)C[C@@H](O)C1)c1ccccc1 ZINC000401577511 533865794 /nfs/dbraw/zinc/86/57/94/533865794.db2.gz IRBUBPSEKCQRFE-VNHYZAJKSA-N 1 0 233.355 2.493 10 0 BEAERO CCO[C@H](C[NH3+])CN1CCCc2cc(C)ccc21 ZINC000062739431 535611421 /nfs/dbraw/zinc/61/14/21/535611421.db2.gz AQNYQBZWVJBKRU-CQSZACIVSA-N 1 0 248.370 2.111 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000402113117 534244660 /nfs/dbraw/zinc/24/46/60/534244660.db2.gz ANYSYVLXRYZUJU-AGIUHOORSA-N 1 0 209.333 2.188 10 0 BEAERO CCN(C(=O)[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000019486038 517628216 /nfs/dbraw/zinc/62/82/16/517628216.db2.gz BMXBTFYYQIDZTP-OLZOCXBDSA-N 1 0 246.354 2.428 10 0 BEAERO CC(C)C[C@H](C[NH3+])CC(=O)OC1CCCC1 ZINC000083862714 519344897 /nfs/dbraw/zinc/34/48/97/519344897.db2.gz KYJLVEAIIWLWII-NSHDSACASA-N 1 0 227.348 2.483 10 0 BEAERO CCCC[N@@H+]1CC[C@H](CC(=O)OC)C[C@H]1C ZINC000252474414 520595742 /nfs/dbraw/zinc/59/57/42/520595742.db2.gz CWQJTZPWAAFKEH-NEPJUHHUSA-N 1 0 227.348 2.450 10 0 BEAERO CCCC[NH2+]Cc1nc([C@@H](C)CC)no1 ZINC000057340844 520693149 /nfs/dbraw/zinc/69/31/49/520693149.db2.gz ZKADPXOKTUGHMN-VIFPVBQESA-N 1 0 211.309 2.473 10 0 BEAERO CCN1CC[C@H]([NH+]2CCCCC2)C[C@H]1C ZINC000252474524 521720235 /nfs/dbraw/zinc/72/02/35/521720235.db2.gz HACCXFVGOBDVMD-OLZOCXBDSA-N 1 0 210.365 2.345 10 0 BEAERO COC(=O)C[C@@H]1CC[N@H+](CC(C)C)C[C@H]1C ZINC000252475094 523286554 /nfs/dbraw/zinc/28/65/54/523286554.db2.gz SNWFBRLQTHEELX-NEPJUHHUSA-N 1 0 227.348 2.164 10 0 BEAERO c1cncc(COCCCC2CC[NH2+]CC2)c1 ZINC000095092576 526547419 /nfs/dbraw/zinc/54/74/19/526547419.db2.gz GXYBRNBEFSCOJC-UHFFFAOYSA-N 1 0 234.343 2.378 10 0 BEAERO C[NH2+]Cc1cc(N2CCCC[C@H]2C)ccn1 ZINC000051399412 536468963 /nfs/dbraw/zinc/46/89/63/536468963.db2.gz WLQMOCJLRLZIRW-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO Cc1nc(Nc2ccc(F)cc2)[nH+]c(NN)c1C ZINC000057331438 527003689 /nfs/dbraw/zinc/00/36/89/527003689.db2.gz QKSPGGDWIAUTKH-UHFFFAOYSA-N 1 0 247.277 2.262 10 0 BEAERO CCOc1ccccc1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400708112 528746508 /nfs/dbraw/zinc/74/65/08/528746508.db2.gz DCIBLZOIJADNFR-RYUDHWBXSA-N 1 0 234.343 2.495 10 0 BEAERO CCC(CC)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000232891216 535004370 /nfs/dbraw/zinc/00/43/70/535004370.db2.gz JMVCBNGXUAOMBU-ZYHUDNBSSA-N 1 0 226.364 2.008 10 0 BEAERO CCC(CC)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172060858 535006040 /nfs/dbraw/zinc/00/60/40/535006040.db2.gz CKVPKYGIIPPLEB-AAEUAGOBSA-N 1 0 238.375 2.118 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253097203 535168536 /nfs/dbraw/zinc/16/85/36/535168536.db2.gz RJVSQZSTHPIMCO-JHJVBQTASA-N 1 0 211.349 2.410 10 0 BEAERO CC(C)C[C@H](C[NH3+])N1CCN(C)c2ccccc21 ZINC000104273718 535304687 /nfs/dbraw/zinc/30/46/87/535304687.db2.gz QVIJKZZLVAIRND-CYBMUJFWSA-N 1 0 247.386 2.316 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226587804 535304755 /nfs/dbraw/zinc/30/47/55/535304755.db2.gz CDUJPAWRSSODBD-BFHYXJOUSA-N 1 0 242.407 2.120 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)CCC ZINC000227905600 535316885 /nfs/dbraw/zinc/31/68/85/535316885.db2.gz BGPPYHSNEGMPFA-QWHCGFSZSA-N 1 0 231.380 2.284 10 0 BEAERO CCOC1CCN(c2ccc(CC[NH3+])cc2)CC1 ZINC000104272348 535398973 /nfs/dbraw/zinc/39/89/73/535398973.db2.gz WSYPGFZECYVNHG-UHFFFAOYSA-N 1 0 248.370 2.193 10 0 BEAERO CC[NH2+]Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000051435701 535479050 /nfs/dbraw/zinc/47/90/50/535479050.db2.gz IMBSJLRIEYLBIR-VXGBXAGGSA-N 1 0 248.374 2.068 10 0 BEAERO CC[C@@H](C)C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090059 535524704 /nfs/dbraw/zinc/52/47/04/535524704.db2.gz BZHKFOXCUQGGBK-CHWSQXEVSA-N 1 0 248.374 2.081 10 0 BEAERO CCN(C)C(=O)C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000217400177 535726506 /nfs/dbraw/zinc/72/65/06/535726506.db2.gz MOAWYHBPDBVECA-YPMHNXCESA-N 1 0 238.375 2.047 10 0 BEAERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000261745113 535798304 /nfs/dbraw/zinc/79/83/04/535798304.db2.gz MDXOPPXZIZXYHQ-IJLUTSLNSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1ccc2ncccc2c1 ZINC000083369713 535825190 /nfs/dbraw/zinc/82/51/90/535825190.db2.gz PXDZPKGGTRPHQT-CYBMUJFWSA-N 1 0 241.338 2.423 10 0 BEAERO CCc1cccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000049709399 535892711 /nfs/dbraw/zinc/89/27/11/535892711.db2.gz ZTNDDRAQBFGJJU-BXUZGUMPSA-N 1 0 218.344 2.423 10 0 BEAERO CC[C@H]1CC[C@@H]([NH2+]CCSCCCO)C1 ZINC000164523397 536094576 /nfs/dbraw/zinc/09/45/76/536094576.db2.gz GLYRCHQOCIWUKE-NWDGAFQWSA-N 1 0 231.405 2.270 10 0 BEAERO CCn1cccc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226866140 536102224 /nfs/dbraw/zinc/10/22/24/536102224.db2.gz HOPRZXZTNGJQFO-STQMWFEESA-N 1 0 235.375 2.080 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000234193205 536102337 /nfs/dbraw/zinc/10/23/37/536102337.db2.gz PHAPENGRHMBMAK-OLZOCXBDSA-N 1 0 236.359 2.411 10 0 BEAERO CC[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000250748919 536116652 /nfs/dbraw/zinc/11/66/52/536116652.db2.gz ROJIYODOWIGGLR-YNEHKIRRSA-N 1 0 238.375 2.118 10 0 BEAERO CC[C@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000248372635 536148608 /nfs/dbraw/zinc/14/86/08/536148608.db2.gz BEAGOYFZLKJDCJ-WDEREUQCSA-N 1 0 207.321 2.008 10 0 BEAERO CCc1cc(OC)ccc1CN1CCC[C@H]([NH3+])C1 ZINC000261988410 536156047 /nfs/dbraw/zinc/15/60/47/536156047.db2.gz SAJFMTMCXMPTFC-AWEZNQCLSA-N 1 0 248.370 2.181 10 0 BEAERO CC[C@H]1CN(c2cccc(C)c2C)CC[NH2+]1 ZINC000016944861 536161450 /nfs/dbraw/zinc/16/14/50/536161450.db2.gz PCNFWIIRFZXNBO-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178359893 536174518 /nfs/dbraw/zinc/17/45/18/536174518.db2.gz XTWRIQZCXFBVQZ-BIMULSAOSA-N 1 0 205.301 2.033 10 0 BEAERO Nc1[nH+]ccn1C[C@H]1CCCC(F)(F)C1 ZINC000702431514 582926086 /nfs/dbraw/zinc/92/60/86/582926086.db2.gz SIZXZIMYOGGSID-QMMMGPOBSA-N 1 0 215.247 2.291 10 0 BEAERO C[NH2+][C@H]1CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538317 536412479 /nfs/dbraw/zinc/41/24/79/536412479.db2.gz ZQYWUYRWQXWURQ-NEPJUHHUSA-N 1 0 246.345 2.496 10 0 BEAERO CN(C[C@H]1CCCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000261533094 536443723 /nfs/dbraw/zinc/44/37/23/536443723.db2.gz NGOYYMQPSCBXAO-QWRGUYRKSA-N 1 0 232.318 2.106 10 0 BEAERO C[C@@H](C(=O)C(F)(F)F)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000702914271 582929952 /nfs/dbraw/zinc/92/99/52/582929952.db2.gz PIJKBAPXWCJWIE-PRJMDXOYSA-N 1 0 223.238 2.285 10 0 BEAERO COC[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)OC ZINC000227708080 536853852 /nfs/dbraw/zinc/85/38/52/536853852.db2.gz NBMPVEPRHXHJAS-UPJWGTAASA-N 1 0 243.391 2.452 10 0 BEAERO COC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000343530421 536876539 /nfs/dbraw/zinc/87/65/39/536876539.db2.gz JRCXFSVPYLMVJL-MJVIPROJSA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H]1CC[C@@]2(CO1)[NH2+]CCc1sccc12 ZINC000401665802 537886235 /nfs/dbraw/zinc/88/62/35/537886235.db2.gz OCIRUKWMWJAWCS-SKDRFNHKSA-N 1 0 223.341 2.288 10 0 BEAERO C[C@H]1CC[C@]2(CO1)[NH2+]CCc1sccc12 ZINC000401665800 537886654 /nfs/dbraw/zinc/88/66/54/537886654.db2.gz OCIRUKWMWJAWCS-JOYOIKCWSA-N 1 0 223.341 2.288 10 0 BEAERO [NH3+]C[C@@H]1CCCc2ccccc2N1C(=O)C1CC1 ZINC000725262948 538089408 /nfs/dbraw/zinc/08/94/08/538089408.db2.gz VOBVXPPMVZZIOW-ZDUSSCGKSA-N 1 0 244.338 2.093 10 0 BEAERO COC[C@@H](C)[C@H]1[NH2+]CCc2sccc21 ZINC000307014147 566277583 /nfs/dbraw/zinc/27/75/83/566277583.db2.gz OSJBAQXJMBWONK-LDYMZIIASA-N 1 0 211.330 2.217 10 0 BEAERO CC[C@H](C(=O)C1CC1)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000308788519 566299976 /nfs/dbraw/zinc/29/99/76/566299976.db2.gz BDIYTTMKYDJPMT-USWWRNFRSA-N 1 0 209.333 2.380 10 0 BEAERO CCCC[C@H](C)[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000380211918 566341469 /nfs/dbraw/zinc/34/14/69/566341469.db2.gz ZJUGKILWNOMTLP-AVGNSLFASA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1Cc2nc(CC[NH3+])sc2[C@@H](C)C1 ZINC000082830175 566419913 /nfs/dbraw/zinc/41/99/13/566419913.db2.gz VICCQSCFIXJJNI-YUMQZZPRSA-N 1 0 210.346 2.330 10 0 BEAERO Cc1nc(C[NH3+])sc1-c1cccc(N)c1 ZINC000669381138 566424479 /nfs/dbraw/zinc/42/44/79/566424479.db2.gz ZCINHNKVLWQNNC-UHFFFAOYSA-N 1 0 219.313 2.159 10 0 BEAERO Nc1c2ccccc2[nH+]c2c1CCC[C@@H]2O ZINC000000011988 560176814 /nfs/dbraw/zinc/17/68/14/560176814.db2.gz BISIFJGUTDFVFR-NSHDSACASA-N 1 0 214.268 2.187 10 0 in-vitro BEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000111618080 588764869 /nfs/dbraw/zinc/76/48/69/588764869.db2.gz PONDZTLCLIISJD-NEPJUHHUSA-N 1 0 240.391 2.460 10 0 BEAERO Cc1nc(C(=O)C(C)(C)C)sc1C[NH3+] ZINC000757124036 582499489 /nfs/dbraw/zinc/49/94/89/582499489.db2.gz NMEPFHHYHXJVAN-UHFFFAOYSA-N 1 0 212.318 2.139 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CC1CC1 ZINC000757126564 582501560 /nfs/dbraw/zinc/50/15/60/582501560.db2.gz GCQOXTAZGKOREY-DGCLKSJQSA-N 1 0 208.349 2.003 10 0 BEAERO CCCC[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757127282 582502071 /nfs/dbraw/zinc/50/20/71/582502071.db2.gz IHBDDFFRRQUQHY-QMMMGPOBSA-N 1 0 214.334 2.134 10 0 BEAERO C[NH2+]Cc1sc([C@H](O)C2CCC2)nc1C ZINC000757133930 582510502 /nfs/dbraw/zinc/51/05/02/582510502.db2.gz XSJJWWJSBDVRSB-SNVBAGLBSA-N 1 0 226.345 2.004 10 0 BEAERO CC(C)[C@@H]1[NH2+][C@]2(CCCOC2)OCC12CCC2 ZINC000757138942 582518415 /nfs/dbraw/zinc/51/84/15/582518415.db2.gz FIENFZIWFBBLBY-GXTWGEPZSA-N 1 0 239.359 2.308 10 0 BEAERO C[C@H]1CCNC2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757139829 582520302 /nfs/dbraw/zinc/52/03/02/582520302.db2.gz IDADXANEXKRXJA-JTQLQIEISA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)(C)[C@@H]1CCO[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757141471 582521970 /nfs/dbraw/zinc/52/19/70/582521970.db2.gz PBRLTCCDXGICSJ-GXFFZTMASA-N 1 0 227.348 2.306 10 0 BEAERO CCC[C@H]1CCO[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757143390 582523443 /nfs/dbraw/zinc/52/34/43/582523443.db2.gz MRDFRUUWHKANDM-CMPLNLGQSA-N 1 0 213.321 2.060 10 0 BEAERO CC1(C)CCC[C@@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757144779 582525536 /nfs/dbraw/zinc/52/55/36/582525536.db2.gz GPXAMKQXTYZUKW-CQSZACIVSA-N 1 0 239.359 2.452 10 0 BEAERO CC1CCC2(CC1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757148528 582532655 /nfs/dbraw/zinc/53/26/55/582532655.db2.gz UXQWQSNSMVJQQK-CPCZMJQVSA-N 1 0 225.332 2.062 10 0 BEAERO CCC1(CC)CNC2(C[C@H]3CC[C@@H](C2)[NH2+]3)OC1 ZINC000757148917 582532929 /nfs/dbraw/zinc/53/29/29/582532929.db2.gz OMPTZSCDSBTIMP-ONXXMXGDSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@]1(C)CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757151890 582536150 /nfs/dbraw/zinc/53/61/50/582536150.db2.gz RSXCBPCYWROXST-VXGBXAGGSA-N 1 0 213.321 2.062 10 0 BEAERO Cc1cc(C[C@](C)(O)CC[NH3+])ccc1Cl ZINC000757160539 582544317 /nfs/dbraw/zinc/54/43/17/582544317.db2.gz RCZZKDJYFRJMBV-GFCCVEGCSA-N 1 0 227.735 2.291 10 0 BEAERO C[NH2+][C@@H](CCO)CSCc1ccc(Cl)o1 ZINC000757169452 582550733 /nfs/dbraw/zinc/55/07/33/582550733.db2.gz ILFTYLJPRQERPG-QMMMGPOBSA-N 1 0 249.763 2.137 10 0 BEAERO C[NH2+][C@H](CO)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169294 582550809 /nfs/dbraw/zinc/55/08/09/582550809.db2.gz HPARNJIJDWGCSK-VXNVDRBHSA-N 1 0 249.763 2.135 10 0 BEAERO C[NH2+]CCOCCSCc1ccc(Cl)o1 ZINC000757169287 582550843 /nfs/dbraw/zinc/55/08/43/582550843.db2.gz HNJFUWIIPXYFQA-UHFFFAOYSA-N 1 0 249.763 2.402 10 0 BEAERO C[NH2+][C@@H](CO)[C@H](C)SCc1ccc(Cl)o1 ZINC000757169289 582550958 /nfs/dbraw/zinc/55/09/58/582550958.db2.gz HPARNJIJDWGCSK-CBAPKCEASA-N 1 0 249.763 2.135 10 0 BEAERO [NH3+]C[C@@H]1CC(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000757176082 582552727 /nfs/dbraw/zinc/55/27/27/582552727.db2.gz YDYUKFRXEXLWRD-YFKPBYRVSA-N 1 0 245.109 2.378 10 0 BEAERO C[C@@H]1CC[C@@H](c2cccc(C=O)c2)C[NH2+]1 ZINC000757215353 582560867 /nfs/dbraw/zinc/56/08/67/582560867.db2.gz NDILJHGBSQBBFA-ZWNOBZJWSA-N 1 0 203.285 2.355 10 0 BEAERO C[C@@H]1C[NH2+][C@H](c2cccc3cc[nH]c32)[C@H](N)C1 ZINC000757220318 582563716 /nfs/dbraw/zinc/56/37/16/582563716.db2.gz YOXMHWNDIJVXBE-MRCXROJRSA-N 1 0 229.327 2.166 10 0 BEAERO Cc1sccc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400593845 582584355 /nfs/dbraw/zinc/58/43/55/582584355.db2.gz ZDCWMQKOFPFOFT-JTQLQIEISA-N 1 0 219.313 2.015 10 0 BEAERO CCCC[C@@H](C)c1nc([C@@H](C)C[NH3+])no1 ZINC000300983404 582600445 /nfs/dbraw/zinc/60/04/45/582600445.db2.gz UQVGQJZIMNEZKF-BDAKNGLRSA-N 1 0 211.309 2.426 10 0 BEAERO Cc1cc(Cl)ccc1Cn1cc[nH+]c1N ZINC000235803882 582610798 /nfs/dbraw/zinc/61/07/98/582610798.db2.gz KCTACDOORQCKCY-UHFFFAOYSA-N 1 0 221.691 2.475 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](c1nccs1)CC2 ZINC000236044413 582637103 /nfs/dbraw/zinc/63/71/03/582637103.db2.gz UXDMYSQAJLZXGP-QMMMGPOBSA-N 1 0 220.301 2.205 10 0 BEAERO Nc1[nH+]ccn1CCc1ccc(Cl)cc1 ZINC000033966526 582673949 /nfs/dbraw/zinc/67/39/49/582673949.db2.gz DEBQSJFDIJZSGZ-UHFFFAOYSA-N 1 0 221.691 2.361 10 0 BEAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1ncccn1 ZINC000037467202 582674927 /nfs/dbraw/zinc/67/49/27/582674927.db2.gz WHMOCOODBJESGE-NSHDSACASA-N 1 0 233.702 2.373 10 0 BEAERO CC(=O)[C@@H]1CCC[N@@H+](CCOCCC(C)C)C1 ZINC000111690373 582817861 /nfs/dbraw/zinc/81/78/61/582817861.db2.gz AQKKUJGYZDRPHD-CQSZACIVSA-N 1 0 241.375 2.350 10 0 BEAERO C[C@@H]1CCC[C@H](CC(=O)C2(Cl)CC2)[NH2+]1 ZINC000702366507 582925889 /nfs/dbraw/zinc/92/58/89/582925889.db2.gz ZNMCSPVVAVCVNP-RKDXNWHRSA-N 1 0 215.724 2.248 10 0 BEAERO C[C@H](C(=O)C(F)(F)F)[C@H]1CCCCC[NH2+]1 ZINC000702915477 582929884 /nfs/dbraw/zinc/92/98/84/582929884.db2.gz UPSRKQIHGWTUEX-JGVFFNPUSA-N 1 0 223.238 2.286 10 0 BEAERO C[C@@H](C(=O)C(F)(F)F)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000702914267 582930008 /nfs/dbraw/zinc/93/00/08/582930008.db2.gz PIJKBAPXWCJWIE-BWZBUEFSSA-N 1 0 223.238 2.285 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]1)[C@@]12C[C@@H]1CCCC2 ZINC000709106921 582991442 /nfs/dbraw/zinc/99/14/42/582991442.db2.gz BZVDEUPKMVCYBH-GVXVVHGQSA-N 1 0 207.317 2.278 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@H]1CCC[C@@H](CC)C1 ZINC000394577045 582995125 /nfs/dbraw/zinc/99/51/25/582995125.db2.gz SKRLFIGOANQRSX-WOPDTQHZSA-N 1 0 227.348 2.483 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@@H]1CCC[C@@H](CC)C1 ZINC000394577044 582995342 /nfs/dbraw/zinc/99/53/42/582995342.db2.gz SKRLFIGOANQRSX-UTUOFQBUSA-N 1 0 227.348 2.483 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1N1CCC(C)(C)CC1 ZINC000396731719 583089337 /nfs/dbraw/zinc/08/93/37/583089337.db2.gz YYKXVXKYSOGLMP-NWDGAFQWSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1N1CCC(C)(C)CC1 ZINC000396731720 583089545 /nfs/dbraw/zinc/08/95/45/583089545.db2.gz YYKXVXKYSOGLMP-RYUDHWBXSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H]1C[C@@]2(CCO1)[NH2+]CCc1sccc12 ZINC000397127299 583096972 /nfs/dbraw/zinc/09/69/72/583096972.db2.gz CIWWESKFAGSEGM-JOYOIKCWSA-N 1 0 223.341 2.288 10 0 BEAERO CCOC1CC2(C1)[NH2+]CCc1sccc12 ZINC000397205404 583099192 /nfs/dbraw/zinc/09/91/92/583099192.db2.gz ZFXVJGATIQXJFJ-UHFFFAOYSA-N 1 0 223.341 2.288 10 0 BEAERO Cc1c([C@H]2[NH2+]CCc3sccc32)cnn1C ZINC000397261269 583099614 /nfs/dbraw/zinc/09/96/14/583099614.db2.gz ZJAQDBLAXZFDNH-LBPRGKRZSA-N 1 0 233.340 2.025 10 0 BEAERO CC[C@@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)C[C@H](CC)O1 ZINC000398581559 583144677 /nfs/dbraw/zinc/14/46/77/583144677.db2.gz MIEBNOIMWPTYFX-SYQHCUMBSA-N 1 0 240.391 2.016 10 0 BEAERO C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)(C)C ZINC000675054345 583930038 /nfs/dbraw/zinc/93/00/38/583930038.db2.gz SPNJARROZNYIQV-GRYCIOLGSA-N 1 0 240.391 2.112 10 0 BEAERO C[NH2+]CCc1noc(C2CCC(F)(F)CC2)n1 ZINC000216528916 584966466 /nfs/dbraw/zinc/96/64/66/584966466.db2.gz PMUWBBCITDIUFW-UHFFFAOYSA-N 1 0 245.273 2.124 10 0 BEAERO C[C@@H](N1CCC[C@@]12CCC[NH2+]C2)C(F)(F)F ZINC000757134220 586427006 /nfs/dbraw/zinc/42/70/06/586427006.db2.gz WVUMGHUBNKUGOC-NXEZZACHSA-N 1 0 236.281 2.155 10 0 BEAERO CC1(C)C[NH2+]C2(CC(CF)(CF)C2)OC1 ZINC000757139694 586427435 /nfs/dbraw/zinc/42/74/35/586427435.db2.gz JCWGDYHPRHTUQN-UHFFFAOYSA-N 1 0 219.275 2.048 10 0 BEAERO C1CC[C@@H]2[NH2+]C3(CCSCC3)OC[C@@H]2C1 ZINC000757146845 586428905 /nfs/dbraw/zinc/42/89/05/586428905.db2.gz RLWOXQLOSWVSIO-QWRGUYRKSA-N 1 0 227.373 2.388 10 0 BEAERO Cc1cc(C[NH2+]C2CN(C)C2)ccc1Cl ZINC000757154431 586430194 /nfs/dbraw/zinc/43/01/94/586430194.db2.gz YZPSIMNFXKEJAS-UHFFFAOYSA-N 1 0 224.735 2.052 10 0 BEAERO Cc1cc(C[C@@H](O)C[C@@H](C)[NH3+])ccc1Cl ZINC000757160701 586432242 /nfs/dbraw/zinc/43/22/42/586432242.db2.gz SNGFWICSOUTCMH-KOLCDFICSA-N 1 0 227.735 2.289 10 0 BEAERO Clc1ccc(CSC[C@H]2C[NH2+]CCO2)o1 ZINC000757170893 586432891 /nfs/dbraw/zinc/43/28/91/586432891.db2.gz RVDBIQRNFZSEBU-SECBINFHSA-N 1 0 247.747 2.155 10 0 BEAERO Cc1nn([C@H](C)C(C)(C)C)cc1C(N)=[NH2+] ZINC000757195919 586436330 /nfs/dbraw/zinc/43/63/30/586436330.db2.gz LGUXDPFTNYZXSJ-MRVPVSSYSA-N 1 0 208.309 2.083 10 0 BEAERO c1ncc(C2CC2)cc1SCC1=[NH+]CCCN1 ZINC000757211150 586437174 /nfs/dbraw/zinc/43/71/74/586437174.db2.gz JYMLBWPYEOTMQE-UHFFFAOYSA-N 1 0 247.367 2.443 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@H]1c1ccc(C=O)s1 ZINC000757207069 586437254 /nfs/dbraw/zinc/43/72/54/586437254.db2.gz AYBRUFQURNVIGS-PSASIEDQSA-N 1 0 209.314 2.274 10 0 BEAERO CC(=O)c1ccc([C@@H]2CC[C@H]([NH3+])[C@H](C)N2)cc1 ZINC000757213324 586439166 /nfs/dbraw/zinc/43/91/66/586439166.db2.gz JKLQUKCCCKSKJQ-HERUPUMHSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@@H]1C[C@H](c2cccc(C=O)c2)CC[NH2+]1 ZINC000757215171 586440084 /nfs/dbraw/zinc/44/00/84/586440084.db2.gz MSHMKSPJSRIZDJ-ZWNOBZJWSA-N 1 0 203.285 2.355 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1c1ccc(C=O)s1 ZINC000757215867 586440878 /nfs/dbraw/zinc/44/08/78/586440878.db2.gz OIGWJAXVQLLGBB-SCZZXKLOSA-N 1 0 209.314 2.274 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1c1cnn(C(C)(C)C)c1 ZINC000757228175 586442769 /nfs/dbraw/zinc/44/27/69/586442769.db2.gz BXGBPFCVLFCLME-ZYHUDNBSSA-N 1 0 221.348 2.494 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1c1cnn(C(C)(C)C)c1 ZINC000757228167 586442900 /nfs/dbraw/zinc/44/29/00/586442900.db2.gz BXGBPFCVLFCLME-JQWIXIFHSA-N 1 0 221.348 2.494 10 0 BEAERO [NH3+][C@@H]1CCN[C@H](c2cscc2C(F)F)C1 ZINC000757232409 586443030 /nfs/dbraw/zinc/44/30/30/586443030.db2.gz IEDPIXRQHXVBFC-MUWHJKNJSA-N 1 0 232.299 2.438 10 0 BEAERO NC[C@H]1CC[C@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757232966 586443418 /nfs/dbraw/zinc/44/34/18/586443418.db2.gz JLJLYUZQNZAMPI-JGVFFNPUSA-N 1 0 246.326 2.480 10 0 BEAERO [NH3+]Cc1cccc(-c2ccc(Cl)nn2)c1 ZINC000757572387 586462388 /nfs/dbraw/zinc/46/23/88/586462388.db2.gz QVXIJWHAXJNARF-UHFFFAOYSA-N 1 0 219.675 2.256 10 0 BEAERO [NH3+]Cc1ccc(-c2cccc3cc[nH]c32)nn1 ZINC000757571570 586462635 /nfs/dbraw/zinc/46/26/35/586462635.db2.gz LMMOLBPKSUXXBF-UHFFFAOYSA-N 1 0 224.267 2.084 10 0 BEAERO C[C@@]1([NH3+])CC=C(c2ccc(C(N)=O)cc2)CC1 ZINC000757571443 586462657 /nfs/dbraw/zinc/46/26/57/586462657.db2.gz KUPMRAJKGFFBPS-CQSZACIVSA-N 1 0 230.311 2.070 10 0 BEAERO COc1ccc(-c2[nH+]ccc(N)c2N)c(F)c1 ZINC000757572990 586463026 /nfs/dbraw/zinc/46/30/26/586463026.db2.gz WPSXWVIYGMSPDW-UHFFFAOYSA-N 1 0 233.246 2.061 10 0 BEAERO C[C@H]([NH3+])CCc1nc(Cc2ccccc2F)no1 ZINC000109516562 588564696 /nfs/dbraw/zinc/56/46/96/588564696.db2.gz XYNITVMVYLNBJG-VIFPVBQESA-N 1 0 249.289 2.079 10 0 BEAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000110119609 588611913 /nfs/dbraw/zinc/61/19/13/588611913.db2.gz SSIYTEZJZWJGLY-CQSZACIVSA-N 1 0 245.322 2.214 10 0 BEAERO C[C@@H](O)CC[NH2+][C@H](C)CSC(C)(C)C ZINC000119045204 589236833 /nfs/dbraw/zinc/23/68/33/589236833.db2.gz HOMDUCVPSUJHHS-NXEZZACHSA-N 1 0 219.394 2.267 10 0 BEAERO C[C@@H](CO)C[NH+]1CCC2(CCCC2)CC1 ZINC000121024666 589487271 /nfs/dbraw/zinc/48/72/71/589487271.db2.gz ASAIEPDXPVRFEH-GFCCVEGCSA-N 1 0 211.349 2.271 10 0 BEAERO C[C@H](CNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000122579107 589605122 /nfs/dbraw/zinc/60/51/22/589605122.db2.gz XGRCHYPFWBNKCW-SNVBAGLBSA-N 1 0 223.364 2.479 10 0 BEAERO CCC(CC)CNc1cc(C)[nH+]c(N)n1 ZINC000122614098 589610029 /nfs/dbraw/zinc/61/00/29/589610029.db2.gz IQILVVJZNMIGAZ-UHFFFAOYSA-N 1 0 208.309 2.215 10 0 BEAERO O[C@@H](C[NH+]1CC2(C1)CCCCC2)C1CC1 ZINC000123413076 589702619 /nfs/dbraw/zinc/70/26/19/589702619.db2.gz FVMIJMVATBJXDN-LBPRGKRZSA-N 1 0 209.333 2.023 10 0 BEAERO C[C@H]1C[N@H+](CCC(=O)C(C)(C)C)CCS1 ZINC000123708130 589773246 /nfs/dbraw/zinc/77/32/46/589773246.db2.gz YMJQHVIOIYFKCQ-JTQLQIEISA-N 1 0 229.389 2.429 10 0 BEAERO CCC1CCC(NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123974028 589888527 /nfs/dbraw/zinc/88/85/27/589888527.db2.gz UYQCZKNYMONCRB-GDKBPFBDSA-N 1 0 238.375 2.199 10 0 BEAERO CC1(C)CCC(NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000124067080 589922595 /nfs/dbraw/zinc/92/25/95/589922595.db2.gz CDHNFOJFTRAVHX-LBPRGKRZSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@H]1CC[C@H](C)N1c1cc(C)[nH+]c(N)n1 ZINC000124472501 590019525 /nfs/dbraw/zinc/01/95/25/590019525.db2.gz XLGYOCOBNYYNJR-UWVGGRQHSA-N 1 0 220.320 2.135 10 0 BEAERO Cc1ncc(CC[NH2+]Cc2ccoc2)s1 ZINC000125018085 590113627 /nfs/dbraw/zinc/11/36/27/590113627.db2.gz FXRZBFMQXUCOQQ-UHFFFAOYSA-N 1 0 222.313 2.377 10 0 BEAERO CS[C@@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000126272041 590262968 /nfs/dbraw/zinc/26/29/68/590262968.db2.gz KPCUQVUDNLEFEO-VXGBXAGGSA-N 1 0 239.388 2.102 10 0 BEAERO CCCC[C@@H](CC)CC[NH2+]CCS(C)(=O)=O ZINC000126971300 590526128 /nfs/dbraw/zinc/52/61/28/590526128.db2.gz SNYPMYRBVXPPMG-GFCCVEGCSA-N 1 0 249.420 2.227 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H](O)C(C)(C)C)c(C)o1 ZINC000127640372 590727520 /nfs/dbraw/zinc/72/75/20/590727520.db2.gz NMKQWNHBTQZSGT-GFCCVEGCSA-N 1 0 225.332 2.393 10 0 BEAERO CC[C@@H]1C[C@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000211602684 591207652 /nfs/dbraw/zinc/20/76/52/591207652.db2.gz WIHMINITZZPBMJ-GHMZBOCLSA-N 1 0 242.363 2.371 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)nc1 ZINC000129164138 591266640 /nfs/dbraw/zinc/26/66/40/591266640.db2.gz VBLMKTUADJSECZ-VIFPVBQESA-N 1 0 241.722 2.047 10 0 BEAERO Cc1cc(O)c(Br)cc1[C@@H](C)[NH3+] ZINC000212233005 591329013 /nfs/dbraw/zinc/32/90/13/591329013.db2.gz HEJWTBOIEYGQJY-ZCFIWIBFSA-N 1 0 230.105 2.483 10 0 BEAERO CC[C@H]([NH2+][C@H](C)COCCOC)C(C)C ZINC000130272306 591452863 /nfs/dbraw/zinc/45/28/63/591452863.db2.gz BCZNSUZBGNEABR-NEPJUHHUSA-N 1 0 217.353 2.062 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)COCCOC)C(C)C ZINC000130271913 591453222 /nfs/dbraw/zinc/45/32/22/591453222.db2.gz BCZNSUZBGNEABR-RYUDHWBXSA-N 1 0 217.353 2.062 10 0 BEAERO CC1(c2noc(-c3ccc4c(c3)C[NH2+]C4)n2)CC1 ZINC000131242195 591577647 /nfs/dbraw/zinc/57/76/47/591577647.db2.gz VWTQRFOAZGAHLR-UHFFFAOYSA-N 1 0 241.294 2.391 10 0 BEAERO C[C@@H](NCc1ccccn1)c1cncs1 ZINC000131919402 591677198 /nfs/dbraw/zinc/67/71/98/591677198.db2.gz WGKREBVJNKYCJX-SECBINFHSA-N 1 0 219.313 2.389 10 0 BEAERO OC[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000132426090 591708300 /nfs/dbraw/zinc/70/83/00/591708300.db2.gz QMRKSHJNXLGVTF-HUUCEWRRSA-N 1 0 233.355 2.370 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@@H](O)CC(C)C ZINC000132629216 591725841 /nfs/dbraw/zinc/72/58/41/591725841.db2.gz YCCAUDJXKLSZQO-NEPJUHHUSA-N 1 0 201.354 2.419 10 0 BEAERO CCCCCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000133111714 591766609 /nfs/dbraw/zinc/76/66/09/591766609.db2.gz HSLZEHGCBVBIJX-RYUDHWBXSA-N 1 0 226.364 2.071 10 0 BEAERO CCCCCCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000133112080 591766831 /nfs/dbraw/zinc/76/68/31/591766831.db2.gz HSLZEHGCBVBIJX-NEPJUHHUSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CC[S@](C)=O ZINC000133837177 591861832 /nfs/dbraw/zinc/86/18/32/591861832.db2.gz ZLWBUSGFIKQWHH-XHDPSFHLSA-N 1 0 225.357 2.024 10 0 BEAERO Cc1cc2c(ncnc2N[C@H](C)CC[NH3+])s1 ZINC000134273858 591907752 /nfs/dbraw/zinc/90/77/52/591907752.db2.gz JILICBCGVJKRIR-SSDOTTSWSA-N 1 0 236.344 2.149 10 0 BEAERO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)C1CC1 ZINC000134373616 591922935 /nfs/dbraw/zinc/92/29/35/591922935.db2.gz OWHPTFPFOGVBDZ-STQMWFEESA-N 1 0 211.349 2.412 10 0 BEAERO CC[C@H](CCO)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000134394384 591923736 /nfs/dbraw/zinc/92/37/36/591923736.db2.gz IWUCATQYSMCHPX-CHWSQXEVSA-N 1 0 241.375 2.229 10 0 BEAERO CC[C@@H](C)c1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000134615045 591942015 /nfs/dbraw/zinc/94/20/15/591942015.db2.gz CTVRDGRYTXJFMW-NXEZZACHSA-N 1 0 223.320 2.125 10 0 BEAERO CN(C)c1cccc(NCc2ccoc2)[nH+]1 ZINC000134747350 591948700 /nfs/dbraw/zinc/94/87/00/591948700.db2.gz XOEOJIQKKGHGDE-UHFFFAOYSA-N 1 0 217.272 2.353 10 0 BEAERO C[C@@H](C[NH2+][C@H]1CCCSC1)Cn1ccnc1 ZINC000134805628 591951454 /nfs/dbraw/zinc/95/14/54/591951454.db2.gz ZGIGVEFGTSLZKW-RYUDHWBXSA-N 1 0 239.388 2.004 10 0 BEAERO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCSC2)s1 ZINC000135009690 591972222 /nfs/dbraw/zinc/97/22/22/591972222.db2.gz LAVGHVCSDPQBLS-VXNVDRBHSA-N 1 0 243.401 2.393 10 0 BEAERO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCSC2)s1 ZINC000135009711 591972549 /nfs/dbraw/zinc/97/25/49/591972549.db2.gz LAVGHVCSDPQBLS-IONNQARKSA-N 1 0 243.401 2.393 10 0 BEAERO CC(C)(CO)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000135093994 591986490 /nfs/dbraw/zinc/98/64/90/591986490.db2.gz MDFDTWFXQMRJPF-LBPRGKRZSA-N 1 0 241.375 2.086 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(N(C)C)cc1 ZINC000136315898 592105771 /nfs/dbraw/zinc/10/57/71/592105771.db2.gz SFXNGDSVZKVIHH-CYBMUJFWSA-N 1 0 249.358 2.065 10 0 BEAERO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000136406308 592117004 /nfs/dbraw/zinc/11/70/04/592117004.db2.gz YODXONSXSLZBRH-VXGBXAGGSA-N 1 0 244.338 2.484 10 0 BEAERO [NH3+]CCCCCCc1nc(CC2CCC2)no1 ZINC000302605769 592550530 /nfs/dbraw/zinc/55/05/30/592550530.db2.gz MDOQZFHZKFNTKM-UHFFFAOYSA-N 1 0 237.347 2.474 10 0 BEAERO [NH3+]CCCn1cc(-c2cc(F)ccc2F)cn1 ZINC000310098966 634406771 /nfs/dbraw/zinc/40/67/71/634406771.db2.gz WPOSOBCWQWYLTF-UHFFFAOYSA-N 1 0 237.253 2.177 10 0 BEAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H](C)O ZINC000336664607 635199910 /nfs/dbraw/zinc/19/99/10/635199910.db2.gz CUYPEUCTMHJMQN-CIUDSAMLSA-N 1 0 229.345 2.177 10 0 BEAERO Cc1c(C[NH2+][C@H](C)Cc2ccco2)cnn1C ZINC000093649606 634579986 /nfs/dbraw/zinc/57/99/86/634579986.db2.gz MXBTVBBIFVGNGH-SNVBAGLBSA-N 1 0 233.315 2.042 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)O)o1 ZINC000336757179 635284276 /nfs/dbraw/zinc/28/42/76/635284276.db2.gz JAKCFKNQQRZIBU-UTLUCORTSA-N 1 0 211.305 2.262 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000336778190 635286431 /nfs/dbraw/zinc/28/64/31/635286431.db2.gz KPJITQGXIPAXTN-CIUDSAMLSA-N 1 0 229.270 2.385 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000336778191 635288193 /nfs/dbraw/zinc/28/81/93/635288193.db2.gz KPJITQGXIPAXTN-HRDYMLBCSA-N 1 0 229.270 2.385 10 0 BEAERO CC(C)[N@@H+]1CC[C@@]2(C1)C[C@H](O)c1ccccc1O2 ZINC000229438667 635471032 /nfs/dbraw/zinc/47/10/32/635471032.db2.gz HQZIWKFLTRCJIE-ZFWWWQNUSA-N 1 0 247.338 2.355 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000082644574 631409273 /nfs/dbraw/zinc/40/92/73/631409273.db2.gz AFHZOGSYMSTZRH-RXNUUUNCSA-N 1 0 201.697 2.040 10 0 BEAERO [NH3+][C@H]1CC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000097092255 631413384 /nfs/dbraw/zinc/41/33/84/631413384.db2.gz GPTNJXNHECNTNE-RYUDHWBXSA-N 1 0 238.375 2.343 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000083526677 631426326 /nfs/dbraw/zinc/42/63/26/631426326.db2.gz LWOMOLRMUIREOM-ZDUSSCGKSA-N 1 0 220.316 2.049 10 0 BEAERO C[C@@H]1C[C@@H]1c1noc([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089383749 631505518 /nfs/dbraw/zinc/50/55/18/631505518.db2.gz KFBNICUQTSYIIQ-DBIOUOCHSA-N 1 0 235.331 2.426 10 0 BEAERO CCCCCC[C@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178702724 635654646 /nfs/dbraw/zinc/65/46/46/635654646.db2.gz XOHDAVRWCWCGOS-NWDGAFQWSA-N 1 0 228.380 2.446 10 0 BEAERO CC[C@H](C[NH2+]CCc1ccccc1)OC ZINC000309006989 631799124 /nfs/dbraw/zinc/79/91/24/631799124.db2.gz VBJHJSRICJEUEE-CYBMUJFWSA-N 1 0 207.317 2.244 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)c(C)s1 ZINC000309030958 631805321 /nfs/dbraw/zinc/80/53/21/631805321.db2.gz DTAPHUPRVGMBSM-BIIVOSGPSA-N 1 0 228.361 2.180 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000309058020 631833375 /nfs/dbraw/zinc/83/33/75/631833375.db2.gz VGPZHLHMPZQXRM-HTQZYQBOSA-N 1 0 231.698 2.338 10 0 BEAERO c1cc2c(s1)CCO[C@H]2C[NH2+]CC1CC1 ZINC000309070475 631838037 /nfs/dbraw/zinc/83/80/37/631838037.db2.gz CLGFOZOLSCHRSL-NSHDSACASA-N 1 0 223.341 2.362 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000049948864 631917427 /nfs/dbraw/zinc/91/74/27/631917427.db2.gz STQICBHDIQNYKS-WDEREUQCSA-N 1 0 211.330 2.405 10 0 BEAERO C[NH2+]CCc1noc(C(C)(C)c2ccccc2)n1 ZINC000051850668 631963174 /nfs/dbraw/zinc/96/31/74/631963174.db2.gz BLHAZTZTOBXWKI-UHFFFAOYSA-N 1 0 245.326 2.157 10 0 BEAERO CC(C)(CO)[NH2+]CCSc1ccccc1F ZINC000309333051 632003444 /nfs/dbraw/zinc/00/34/44/632003444.db2.gz IHRRJZTVWAPLSX-UHFFFAOYSA-N 1 0 243.347 2.278 10 0 BEAERO CC[C@@H](C)[N@H+](CC)Cc1ccc(N)nc1 ZINC000050813078 632061056 /nfs/dbraw/zinc/06/10/56/632061056.db2.gz NZVIDAUCLDHALA-SNVBAGLBSA-N 1 0 207.321 2.284 10 0 BEAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000161576473 632092296 /nfs/dbraw/zinc/09/22/96/632092296.db2.gz VCBQMKGQLQOPPD-CKYFFXLPSA-N 1 0 221.300 2.133 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000309459639 632099574 /nfs/dbraw/zinc/09/95/74/632099574.db2.gz NMNZZFMMSCQPLF-NWDGAFQWSA-N 1 0 227.348 2.308 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000309459641 632100241 /nfs/dbraw/zinc/10/02/41/632100241.db2.gz NMNZZFMMSCQPLF-VXGBXAGGSA-N 1 0 227.348 2.308 10 0 BEAERO Cc1ccc(Cc2nc([C@@H](C)C[NH3+])no2)cc1 ZINC000054158915 635775875 /nfs/dbraw/zinc/77/58/75/635775875.db2.gz XWBIQFISXIAOPL-JTQLQIEISA-N 1 0 231.299 2.031 10 0 BEAERO Cc1ccsc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158847 635776309 /nfs/dbraw/zinc/77/63/09/635776309.db2.gz FIQAUVKWDQKAGW-ZETCQYMHSA-N 1 0 223.301 2.169 10 0 BEAERO C[C@@H](C[NH3+])c1noc(CC2CCCCC2)n1 ZINC000054158879 635776912 /nfs/dbraw/zinc/77/69/12/635776912.db2.gz QZLMLQRYUSCWKE-VIFPVBQESA-N 1 0 223.320 2.255 10 0 BEAERO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000235165145 632391000 /nfs/dbraw/zinc/39/10/00/632391000.db2.gz ATCFOYADXKAGOP-IRCOFANPSA-N 1 0 229.389 2.164 10 0 BEAERO Cc1ccc(CNc2cc(C)[nH+]c(N)n2)s1 ZINC000052357409 632392667 /nfs/dbraw/zinc/39/26/67/632392667.db2.gz KAJNELRIDUYVCH-UHFFFAOYSA-N 1 0 234.328 2.349 10 0 BEAERO COC[C@H](C)[NH2+][C@H]1C[C@H]1c1cccc(F)c1 ZINC000309486017 632419466 /nfs/dbraw/zinc/41/94/66/632419466.db2.gz VMIZHUBQDBPYPY-XDTLVQLUSA-N 1 0 223.291 2.306 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)c(C)s1 ZINC000309030961 632620364 /nfs/dbraw/zinc/62/03/64/632620364.db2.gz DTAPHUPRVGMBSM-GJMOJQLCSA-N 1 0 228.361 2.180 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000309046445 632623166 /nfs/dbraw/zinc/62/31/66/632623166.db2.gz OXSHZINCQYBCAK-XRRVDJEJSA-N 1 0 211.349 2.314 10 0 BEAERO CC/C=C(\C)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176965520 632673218 /nfs/dbraw/zinc/67/32/18/632673218.db2.gz UCMHKOAXYLUQRU-YQCJOKCJSA-N 1 0 238.375 2.285 10 0 BEAERO CC(C)CCNC(=[NH2+])NC1CCCCC1 ZINC000052046807 632780225 /nfs/dbraw/zinc/78/02/25/632780225.db2.gz SBEKBNAPALDPSP-UHFFFAOYSA-N 1 0 211.353 2.479 10 0 BEAERO CC(C)(C)NC(=[NH2+])NCC1CCCCC1 ZINC000052041649 632780233 /nfs/dbraw/zinc/78/02/33/632780233.db2.gz AYIDWXWFALAFHS-UHFFFAOYSA-N 1 0 211.353 2.479 10 0 BEAERO CC(C)(C)CNC(=[NH2+])NC1CCCCC1 ZINC000052047991 632783248 /nfs/dbraw/zinc/78/32/48/632783248.db2.gz SOBZQINEPUYMNX-UHFFFAOYSA-N 1 0 211.353 2.479 10 0 BEAERO CC[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccccc1 ZINC000310698749 632889710 /nfs/dbraw/zinc/88/97/10/632889710.db2.gz XCFQPICJBOIGJN-KBPBESRZSA-N 1 0 246.354 2.381 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cncc2ccccc21 ZINC000310747208 632931873 /nfs/dbraw/zinc/93/18/73/632931873.db2.gz HHAJDFPASKXRRY-ABAIWWIYSA-N 1 0 241.338 2.156 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C=C2CCCC2)n1 ZINC000309402522 633017820 /nfs/dbraw/zinc/01/78/20/633017820.db2.gz HOXGXOSULSVGLJ-QMMMGPOBSA-N 1 0 207.277 2.089 10 0 BEAERO C[C@@H](c1nc(C[C@@H]2CCC[NH2+]C2)no1)C1CC1 ZINC000164053059 633069406 /nfs/dbraw/zinc/06/94/06/633069406.db2.gz VJTBBSLQXSUBKM-ZJUUUORDSA-N 1 0 235.331 2.125 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccoc1 ZINC000165412613 633091992 /nfs/dbraw/zinc/09/19/92/633091992.db2.gz OFNKTJJGDZVQGC-CHWSQXEVSA-N 1 0 223.316 2.430 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]CC12CCC(C(C)C)CC2 ZINC000166460248 633114159 /nfs/dbraw/zinc/11/41/59/633114159.db2.gz AHFRVYZMVOCKGJ-LXVYMNJGSA-N 1 0 239.359 2.211 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1c(C)cccc1C ZINC000166540456 633117325 /nfs/dbraw/zinc/11/73/25/633117325.db2.gz ZPWZROYOQSNQPD-STQMWFEESA-N 1 0 247.338 2.170 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1CC ZINC000166590643 633117431 /nfs/dbraw/zinc/11/74/31/633117431.db2.gz NQXVYGLSIFYHGB-UONOGXRCSA-N 1 0 247.338 2.115 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)cc1C ZINC000166576061 633118382 /nfs/dbraw/zinc/11/83/82/633118382.db2.gz TWMUYELBQXWKIV-KBPBESRZSA-N 1 0 247.338 2.170 10 0 BEAERO CC[C@H](C)Cc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000167771819 633132898 /nfs/dbraw/zinc/13/28/98/633132898.db2.gz UUQKCDOXOKHOEA-QWRGUYRKSA-N 1 0 237.347 2.200 10 0 BEAERO CC[C@@H](C)c1noc(C2(C[NH3+])CCCC2)n1 ZINC000168107737 633137315 /nfs/dbraw/zinc/13/73/15/633137315.db2.gz LHUKFIPMFVPSLZ-SECBINFHSA-N 1 0 223.320 2.354 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccoc1 ZINC000169278149 633161171 /nfs/dbraw/zinc/16/11/71/633161171.db2.gz AXFFVPPIOYKLEX-ZIAGYGMSSA-N 1 0 234.343 2.338 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)c2c(C)noc2C)C1 ZINC000328177720 633735205 /nfs/dbraw/zinc/73/52/05/633735205.db2.gz LQNFNEPSCRABKM-SKDRFNHKSA-N 1 0 237.347 2.036 10 0 BEAERO CCCN1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000328171736 633740719 /nfs/dbraw/zinc/74/07/19/633740719.db2.gz KHJHSDMCSGMJJL-HNNXBMFYSA-N 1 0 232.371 2.303 10 0 BEAERO CSCC[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308540102 633748823 /nfs/dbraw/zinc/74/88/23/633748823.db2.gz MKYMWFVPUNEEJL-ZJUUUORDSA-N 1 0 219.394 2.125 10 0 BEAERO ClC1(Cl)C[C@@H]1C[NH2+]Cc1ccccn1 ZINC000308716982 633806885 /nfs/dbraw/zinc/80/68/85/633806885.db2.gz BSAZWRNKOKKRCT-MRVPVSSYSA-N 1 0 231.126 2.365 10 0 BEAERO CC[N@H+]1C[C@H](Nc2cccc(Cl)n2)[C@@H](C)C1 ZINC000309452605 633921352 /nfs/dbraw/zinc/92/13/52/633921352.db2.gz LOPYFQOFOADKJN-UWVGGRQHSA-N 1 0 239.750 2.487 10 0 BEAERO C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000162883042 635145835 /nfs/dbraw/zinc/14/58/35/635145835.db2.gz XICZFWIKCWAPMP-WOPDTQHZSA-N 1 0 240.391 2.173 10 0 BEAERO CC(C)Oc1ccccc1NC(=O)C1CC([NH3+])C1 ZINC000258684816 635188247 /nfs/dbraw/zinc/18/82/47/635188247.db2.gz IPSSFPBYXLPYQI-UHFFFAOYSA-N 1 0 248.326 2.150 10 0 BEAERO CCc1cccnc1[C@H](C)[NH2+][C@H](C)[C@H](C)O ZINC000336751690 635258468 /nfs/dbraw/zinc/25/84/68/635258468.db2.gz CKRQPWQIFQVZKF-VWYCJHECSA-N 1 0 222.332 2.064 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)oc1C ZINC000336756636 635281267 /nfs/dbraw/zinc/28/12/67/635281267.db2.gz IWPFZAWNWGKLRB-GUBZILKMSA-N 1 0 211.305 2.316 10 0 BEAERO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@@H](C)O)s1 ZINC000336783172 635282519 /nfs/dbraw/zinc/28/25/19/635282519.db2.gz ZQDUKPBPJCKUMM-KHQFGBGNSA-N 1 0 242.388 2.434 10 0 BEAERO C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@H](C)O ZINC000336782474 635282965 /nfs/dbraw/zinc/28/29/65/635282965.db2.gz XTNHCRDYOTXKJH-YHROSDCASA-N 1 0 223.291 2.198 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2cc(F)cc(F)c2)n1 ZINC000054158664 635775022 /nfs/dbraw/zinc/77/50/22/635775022.db2.gz BUOUPIUSVNHYDN-ZCFIWIBFSA-N 1 0 239.225 2.077 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2cc(F)cc(F)c2)n1 ZINC000054158663 635775152 /nfs/dbraw/zinc/77/51/52/635775152.db2.gz BUOUPIUSVNHYDN-LURJTMIESA-N 1 0 239.225 2.077 10 0 BEAERO CCCOC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000304644441 635945082 /nfs/dbraw/zinc/94/50/82/635945082.db2.gz XIOGDLYGRTWSOZ-LLVKDONJSA-N 1 0 230.352 2.099 10 0 BEAERO C(C[C@@H]1CCC[NH2+]1)c1nc(CC2CCC2)no1 ZINC000310543529 636265166 /nfs/dbraw/zinc/26/51/66/636265166.db2.gz CYZXAMDKOCUSTO-NSHDSACASA-N 1 0 235.331 2.097 10 0 BEAERO CCCCC[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291484 636339118 /nfs/dbraw/zinc/33/91/18/636339118.db2.gz HLIYLWAVXOQYFR-STQMWFEESA-N 1 0 240.391 2.461 10 0 BEAERO CCCCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306239 636353989 /nfs/dbraw/zinc/35/39/89/636353989.db2.gz KZEHYCOWHALCJS-LBPRGKRZSA-N 1 0 226.364 2.073 10 0 BEAERO COC(OC)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000079585274 636443575 /nfs/dbraw/zinc/44/35/75/636443575.db2.gz JSQSUKBDHORZCA-GXFFZTMASA-N 1 0 235.327 2.271 10 0 BEAERO CCC1CCC([NH3+])(c2ncnn2CC)CC1 ZINC000054498762 636744212 /nfs/dbraw/zinc/74/42/12/636744212.db2.gz QSLVXASZXJWWAD-UHFFFAOYSA-N 1 0 222.336 2.052 10 0 BEAERO CCNC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000035136183 636855655 /nfs/dbraw/zinc/85/56/55/636855655.db2.gz SGVLKLBBMFYEEK-QJPTWQEYSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H]([NH3+])CCNC(=O)C1CCCCCCC1 ZINC000083188094 636873024 /nfs/dbraw/zinc/87/30/24/636873024.db2.gz UDLJTAQIEJRCJN-LLVKDONJSA-N 1 0 226.364 2.200 10 0 BEAERO Nc1[nH+]ccn1Cc1cc(Cl)ccc1F ZINC000163544166 636985926 /nfs/dbraw/zinc/98/59/26/636985926.db2.gz AJRIHOCNWHQOTH-UHFFFAOYSA-N 1 0 225.654 2.306 10 0 BEAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1cccs1 ZINC000042336133 637179028 /nfs/dbraw/zinc/17/90/28/637179028.db2.gz JLIKXRQXYQPVIQ-YLTRJXTNSA-N 1 0 243.397 2.310 10 0 BEAERO CC[C@@H](NC(=O)c1cccc(C[NH3+])c1)C(C)C ZINC000042584576 637290672 /nfs/dbraw/zinc/29/06/72/637290672.db2.gz SZWDCELXICOEBZ-CYBMUJFWSA-N 1 0 234.343 2.310 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(CC2CC2)no1 ZINC000149014274 637899132 /nfs/dbraw/zinc/89/91/32/637899132.db2.gz GWVBEHYKZLDOBJ-GHMZBOCLSA-N 1 0 235.331 2.255 10 0 BEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)[C@@H](C)O ZINC000348334084 639051252 /nfs/dbraw/zinc/05/12/52/639051252.db2.gz ZZULCZPYIMIONN-RWSFTLGLSA-N 1 0 249.354 2.432 10 0 BEAERO Cc1ccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000035689836 639835777 /nfs/dbraw/zinc/83/57/77/639835777.db2.gz DGTJQSKAAWHYAG-LBPRGKRZSA-N 1 0 246.354 2.113 10 0 BEAERO CC[C@@H]([NH3+])c1nc(C2CCCCC2)nn1C ZINC000054699467 640320733 /nfs/dbraw/zinc/32/07/33/640320733.db2.gz ZOVOARYJEJZOFL-SNVBAGLBSA-N 1 0 222.336 2.273 10 0 BEAERO CC(C)Cc1nc([C@@H]([NH3+])C(C)(C)C)n(C)n1 ZINC000054699050 640320755 /nfs/dbraw/zinc/32/07/55/640320755.db2.gz OAFYTRXEBZZOIY-SNVBAGLBSA-N 1 0 224.352 2.060 10 0 BEAERO c1ncc(C[NH2+][C@H]2CCc3ccccc3C2)[nH]1 ZINC000054765324 640409222 /nfs/dbraw/zinc/40/92/22/640409222.db2.gz UGIDAQGYJAJYQP-ZDUSSCGKSA-N 1 0 227.311 2.057 10 0 BEAERO CC(C)[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000054791751 640409421 /nfs/dbraw/zinc/40/94/21/640409421.db2.gz HEBZXMFBCFFTKV-UHFFFAOYSA-N 1 0 228.299 2.037 10 0 BEAERO Cc1occc1-c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000165592107 640586619 /nfs/dbraw/zinc/58/66/19/640586619.db2.gz CWQMWPMSZVYFLJ-BDAKNGLRSA-N 1 0 233.271 2.233 10 0 BEAERO Cc1occc1-c1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000165592461 640586844 /nfs/dbraw/zinc/58/68/44/640586844.db2.gz CWQMWPMSZVYFLJ-DTWKUNHWSA-N 1 0 233.271 2.233 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(CC)cc1 ZINC000166550002 640648722 /nfs/dbraw/zinc/64/87/22/640648722.db2.gz CSOTWLFJCQSDON-KBPBESRZSA-N 1 0 247.338 2.115 10 0 BEAERO C[C@H]1CCC[C@@H]1c1nc(C2CC[NH2+]CC2)no1 ZINC000225417919 640692481 /nfs/dbraw/zinc/69/24/81/640692481.db2.gz ULAHAEUDWMBBJW-ONGXEEELSA-N 1 0 235.331 2.440 10 0 BEAERO CC[C@H]1CC[NH2+][C@@H](CC(=O)C(F)(F)F)C1 ZINC000167557933 640731600 /nfs/dbraw/zinc/73/16/00/640731600.db2.gz QREMSNGUARVWJK-JGVFFNPUSA-N 1 0 223.238 2.286 10 0 BEAERO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226226801 640740819 /nfs/dbraw/zinc/74/08/19/640740819.db2.gz WDSOBONAXPXLIE-CYZMBNFOSA-N 1 0 223.316 2.104 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226816071 640793709 /nfs/dbraw/zinc/79/37/09/640793709.db2.gz DJWZYRWAMKQSIS-ZIAGYGMSSA-N 1 0 245.370 2.143 10 0 BEAERO C[C@H]([NH2+][C@H]1CCc2cccnc21)[C@@H]1CCCO1 ZINC000226802963 640797565 /nfs/dbraw/zinc/79/75/65/640797565.db2.gz YTLRHYWYSHSMAD-DRZSPHRISA-N 1 0 232.327 2.226 10 0 BEAERO CCC[C@@H](OC)c1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000227311800 640827716 /nfs/dbraw/zinc/82/77/16/640827716.db2.gz LZNNZYNWQSRNMV-VHSXEESVSA-N 1 0 241.335 2.083 10 0 BEAERO CCC[C@H](C)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228802532 640897121 /nfs/dbraw/zinc/89/71/21/640897121.db2.gz OISSJWURSQTNSC-TUAOUCFPSA-N 1 0 227.348 2.164 10 0 BEAERO CC[C@@H](C)c1noc(C[C@@H]([NH3+])CC(C)C)n1 ZINC000087527035 640909332 /nfs/dbraw/zinc/90/93/32/640909332.db2.gz YGVFBJBWPSQBFY-ZJUUUORDSA-N 1 0 225.336 2.499 10 0 BEAERO Cc1ccc(F)c2c1C[C@H]([C@@H](C)[NH3+])CO2 ZINC000675064116 640960689 /nfs/dbraw/zinc/96/06/89/640960689.db2.gz VXVMCUMKNFKDHL-BDAKNGLRSA-N 1 0 209.264 2.032 10 0 BEAERO Cc1ccccc1[C@H](O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061932733 641008456 /nfs/dbraw/zinc/00/84/56/641008456.db2.gz IYWRVDXLOVGRMR-UKRRQHHQSA-N 1 0 249.354 2.139 10 0 BEAERO CC(C)CCCCCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116039 641020386 /nfs/dbraw/zinc/02/03/86/641020386.db2.gz MGYOSYFTUZJVIA-ZDUSSCGKSA-N 1 0 240.391 2.319 10 0 BEAERO C[C@@H](CNCc1ccoc1)C[NH+]1CCCCC1 ZINC000062103685 641021318 /nfs/dbraw/zinc/02/13/18/641021318.db2.gz YKDNSLVKGOGLSA-ZDUSSCGKSA-N 1 0 236.359 2.491 10 0 BEAERO c1cc(C[NH2+]CCc2cccnc2)co1 ZINC000062103592 641021464 /nfs/dbraw/zinc/02/14/64/641021464.db2.gz LYKHURZRXANGLH-UHFFFAOYSA-N 1 0 202.257 2.007 10 0 BEAERO COC[C@@H]1CCCN(CC(=O)c2ccccc2)C1 ZINC000062161101 641022981 /nfs/dbraw/zinc/02/29/81/641022981.db2.gz CUSZKGGKLMEVCW-CYBMUJFWSA-N 1 0 247.338 2.228 10 0 BEAERO Cc1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119805 641024304 /nfs/dbraw/zinc/02/43/04/641024304.db2.gz GLHOSBIHNPUSMI-LBPRGKRZSA-N 1 0 243.310 2.046 10 0 BEAERO Fc1ccc2nc(N[C@H]3CC[NH2+]C3)sc2c1 ZINC000062202661 641025690 /nfs/dbraw/zinc/02/56/90/641025690.db2.gz XEGGWCBMHHUINB-QMMMGPOBSA-N 1 0 237.303 2.209 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CC2(O)CCCCC2)o1 ZINC000230647772 641076264 /nfs/dbraw/zinc/07/62/64/641076264.db2.gz RNXWQUAARWYABO-LLVKDONJSA-N 1 0 238.331 2.329 10 0 BEAERO C[C@@H]([NH3+])Cc1nc(C(C)(C)c2ccccc2)no1 ZINC000062772703 641089002 /nfs/dbraw/zinc/08/90/02/641089002.db2.gz SJACBMIVGBGDOD-SNVBAGLBSA-N 1 0 245.326 2.285 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccoc1 ZINC000063047341 641121872 /nfs/dbraw/zinc/12/18/72/641121872.db2.gz ZPCLRHOWEPAOQR-CYBMUJFWSA-N 1 0 224.348 2.346 10 0 BEAERO CC[C@H](Nc1cc(C)[nH+]c(N)n1)C(C)C ZINC000088425565 641182888 /nfs/dbraw/zinc/18/28/88/641182888.db2.gz ZHKHTNFPTRBPHH-VIFPVBQESA-N 1 0 208.309 2.214 10 0 BEAERO c1csc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084714 641206446 /nfs/dbraw/zinc/20/64/46/641206446.db2.gz VCIPIYSSYNZQCR-VIFPVBQESA-N 1 0 249.339 2.340 10 0 BEAERO Oc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1F ZINC000232422417 641276634 /nfs/dbraw/zinc/27/66/34/641276634.db2.gz TYDBWSHVNSGWHC-NSHDSACASA-N 1 0 239.290 2.190 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000088162392 641319024 /nfs/dbraw/zinc/31/90/24/641319024.db2.gz OMDKABLLROZFNL-GUBZILKMSA-N 1 0 211.280 2.246 10 0 BEAERO Clc1ccc(C[NH2+]CC[C@H]2CCCO2)cn1 ZINC000040563856 641533264 /nfs/dbraw/zinc/53/32/64/641533264.db2.gz AEBIPRLHASMCPC-LLVKDONJSA-N 1 0 240.734 2.394 10 0 BEAERO Cc1ccccc1[C@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000044162657 641587684 /nfs/dbraw/zinc/58/76/84/641587684.db2.gz NENWYEPCDHZCTH-SMDDNHRTSA-N 1 0 219.328 2.370 10 0 BEAERO CC[NH2+]CC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000044286283 641593591 /nfs/dbraw/zinc/59/35/91/641593591.db2.gz KPDQGJZOEKJGBR-SECBINFHSA-N 1 0 240.734 2.127 10 0 BEAERO CC1(C)C[C@@H]1[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000044369009 641597930 /nfs/dbraw/zinc/59/79/30/641597930.db2.gz CMIVFVZIXYUGIH-RYUDHWBXSA-N 1 0 241.281 2.386 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCCCCC1 ZINC000089385541 641674403 /nfs/dbraw/zinc/67/44/03/641674403.db2.gz XUNLQTVGGHQNGE-QWHCGFSZSA-N 1 0 238.375 2.154 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000089385510 641674678 /nfs/dbraw/zinc/67/46/78/641674678.db2.gz KJIUXORQGXDDPD-WCQYABFASA-N 1 0 232.327 2.390 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000089385542 641674801 /nfs/dbraw/zinc/67/48/01/641674801.db2.gz XUNLQTVGGHQNGE-STQMWFEESA-N 1 0 238.375 2.154 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1CCSC(F)(F)F ZINC000123633639 641873497 /nfs/dbraw/zinc/87/34/97/641873497.db2.gz MLPGKLJNJYQEJN-SFYZADRCSA-N 1 0 242.310 2.051 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1CCSC(F)(F)F ZINC000123633893 641873684 /nfs/dbraw/zinc/87/36/84/641873684.db2.gz MLPGKLJNJYQEJN-YUMQZZPRSA-N 1 0 242.310 2.051 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@H]2CCC[NH2+]2)n1 ZINC000232886435 642148929 /nfs/dbraw/zinc/14/89/29/642148929.db2.gz DHGBQOLPJJFHDA-HTQZYQBOSA-N 1 0 207.277 2.008 10 0 BEAERO CCCCCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232961879 642639749 /nfs/dbraw/zinc/63/97/49/642639749.db2.gz PGBFPQOTZWCRTL-FRRDWIJNSA-N 1 0 240.391 2.317 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000233410414 642669760 /nfs/dbraw/zinc/66/97/60/642669760.db2.gz BMWCUJRJTIRAFO-MELADBBJSA-N 1 0 219.328 2.498 10 0 BEAERO C(C[C@@H]1CCC[NH2+]C1)c1nc(CC2CCC2)no1 ZINC000306083337 642721901 /nfs/dbraw/zinc/72/19/01/642721901.db2.gz FKPMYVYBJSRXSD-LBPRGKRZSA-N 1 0 249.358 2.344 10 0 BEAERO CCCCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502787 643029918 /nfs/dbraw/zinc/02/99/18/643029918.db2.gz UVGAFGLAXLSNKT-RYUDHWBXSA-N 1 0 226.364 2.200 10 0 BEAERO CCCc1noc([C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000071001583 643093461 /nfs/dbraw/zinc/09/34/61/643093461.db2.gz GXTLJDDRKMQHIJ-BDAKNGLRSA-N 1 0 209.293 2.007 10 0 BEAERO CCCc1noc([C@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000071001608 643093739 /nfs/dbraw/zinc/09/37/39/643093739.db2.gz RJZARWHCQZYYIN-WCBMZHEXSA-N 1 0 211.309 2.109 10 0 BEAERO CCN(c1nc2ccccc2s1)[C@H]1CC[NH2+]C1 ZINC000071314449 643124667 /nfs/dbraw/zinc/12/46/67/643124667.db2.gz IKIRJCZJFDMQQA-JTQLQIEISA-N 1 0 247.367 2.485 10 0 BEAERO CC/C=C(/C)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000254925468 643168010 /nfs/dbraw/zinc/16/80/10/643168010.db2.gz UCMHKOAXYLUQRU-LLBKUYECSA-N 1 0 238.375 2.285 10 0 BEAERO CCCC[C@@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757132701 643259107 /nfs/dbraw/zinc/25/91/07/643259107.db2.gz UHBIICVJHSEQQC-SECBINFHSA-N 1 0 228.361 2.176 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](CC2=CCCC2)C1 ZINC000306918063 643274958 /nfs/dbraw/zinc/27/49/58/643274958.db2.gz YXCOVDRRFSUMDE-ZDUSSCGKSA-N 1 0 207.317 2.398 10 0 BEAERO CCCC1(CCC)[NH2+]CC[C@@]2(CCOC2)O1 ZINC000757143532 643308165 /nfs/dbraw/zinc/30/81/65/643308165.db2.gz LZKKZNFUWUNUHF-LBPRGKRZSA-N 1 0 227.348 2.452 10 0 BEAERO CCCC1(CCC)[NH2+]CC[C@]2(CCOC2)O1 ZINC000757143523 643308321 /nfs/dbraw/zinc/30/83/21/643308321.db2.gz LZKKZNFUWUNUHF-GFCCVEGCSA-N 1 0 227.348 2.452 10 0 BEAERO C[C@@H]([NH3+])CN(C)c1nc2ccccc2s1 ZINC000082592647 643351276 /nfs/dbraw/zinc/35/12/76/643351276.db2.gz YYRZXRABIFQLIH-MRVPVSSYSA-N 1 0 221.329 2.080 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000307174805 643419125 /nfs/dbraw/zinc/41/91/25/643419125.db2.gz FFWVASQYSKPGKC-UVOCVTCTSA-N 1 0 229.414 2.364 10 0 BEAERO Cc1cc2c(ncnc2NC[C@H](C)C[NH3+])s1 ZINC000083387572 643443565 /nfs/dbraw/zinc/44/35/65/643443565.db2.gz XJCXNFHCJSTFPJ-SSDOTTSWSA-N 1 0 236.344 2.006 10 0 BEAERO Cc1cc(NCc2ccc(F)cc2)nc(N)[nH+]1 ZINC000035994169 643455768 /nfs/dbraw/zinc/45/57/68/643455768.db2.gz BTRBWESADDZIJQ-UHFFFAOYSA-N 1 0 232.262 2.118 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)O)cc1C ZINC000336766942 643461286 /nfs/dbraw/zinc/46/12/86/643461286.db2.gz SOZSSVKPMRISMS-RYUDHWBXSA-N 1 0 207.317 2.162 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000049948757 643564629 /nfs/dbraw/zinc/56/46/29/643564629.db2.gz WKHBOKZVTYQEMC-STQMWFEESA-N 1 0 223.291 2.483 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000049948913 643565577 /nfs/dbraw/zinc/56/55/77/643565577.db2.gz VRTRPCUJTYETBK-STQMWFEESA-N 1 0 205.301 2.344 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000049949023 643567104 /nfs/dbraw/zinc/56/71/04/643567104.db2.gz CXCHSOGGDICIQU-OLZOCXBDSA-N 1 0 223.291 2.483 10 0 BEAERO Cc1cc(N[C@H]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000046484556 643572289 /nfs/dbraw/zinc/57/22/89/643572289.db2.gz LMQNDUWWLHXYCW-WPRPVWTQSA-N 1 0 220.320 2.358 10 0 BEAERO CCN(C(=O)C[NH2+]C1CC1)c1ccc(C)cc1 ZINC000049989009 643575171 /nfs/dbraw/zinc/57/51/71/643575171.db2.gz CDKUCUMQRAJKDO-UHFFFAOYSA-N 1 0 232.327 2.100 10 0 BEAERO CCN(C(=O)C[C@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000049988957 643576072 /nfs/dbraw/zinc/57/60/72/643576072.db2.gz MJWVTSVEHLEEDP-CYBMUJFWSA-N 1 0 246.354 2.490 10 0 BEAERO FC(F)[C@@H]1CCNc2[nH+]c3c(n21)CCCC3 ZINC000236126441 643595659 /nfs/dbraw/zinc/59/56/59/643595659.db2.gz TZCUJNZLNPNXFO-VIFPVBQESA-N 1 0 227.258 2.384 10 0 BEAERO COc1ccc(C[N@H+](C)CCC(C)=O)cc1F ZINC000048298847 643596702 /nfs/dbraw/zinc/59/67/02/643596702.db2.gz UGEQSHKVBWSNSR-UHFFFAOYSA-N 1 0 239.290 2.245 10 0 BEAERO CCc1nc(C[NH2+][C@@H]2CCC[C@@H]2OC)cs1 ZINC000049948600 643626219 /nfs/dbraw/zinc/62/62/19/643626219.db2.gz KCBJUIAGSXECAA-MNOVXSKESA-N 1 0 240.372 2.363 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000050368580 643690618 /nfs/dbraw/zinc/69/06/18/643690618.db2.gz JAQJOHDPJHDRBP-VXGBXAGGSA-N 1 0 249.310 2.072 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000050370006 643691422 /nfs/dbraw/zinc/69/14/22/643691422.db2.gz UBPDSKHPBQUVTH-STQMWFEESA-N 1 0 221.300 2.049 10 0 BEAERO C[C@H]1COC[C@H](C)[NH+]1CCCCCCCO ZINC000173790610 644181539 /nfs/dbraw/zinc/18/15/39/644181539.db2.gz JCRZXIZLDFUSSA-STQMWFEESA-N 1 0 229.364 2.038 10 0 BEAERO CC(C)(CO)[NH2+]CCSc1ccccc1 ZINC000079619646 644199217 /nfs/dbraw/zinc/19/92/17/644199217.db2.gz ZBGJEGFNAOAGPU-UHFFFAOYSA-N 1 0 225.357 2.139 10 0 BEAERO Cc1nc(C)c(C[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000080694040 644283859 /nfs/dbraw/zinc/28/38/59/644283859.db2.gz LCBCXGFMIMVRSB-QWRGUYRKSA-N 1 0 240.372 2.153 10 0 BEAERO CC(C)c1noc([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000084300281 644423705 /nfs/dbraw/zinc/42/37/05/644423705.db2.gz IROUWNCVTHENAA-NXEZZACHSA-N 1 0 223.320 2.426 10 0 BEAERO CCCCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122983 644478228 /nfs/dbraw/zinc/47/82/28/644478228.db2.gz DYNKXJTVNWDYGE-NEPJUHHUSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1cscc1-c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000087287814 644486970 /nfs/dbraw/zinc/48/69/70/644486970.db2.gz WEJYAPDMEBXZQM-MRVPVSSYSA-N 1 0 235.312 2.183 10 0 BEAERO CC(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089393491 644548366 /nfs/dbraw/zinc/54/83/66/644548366.db2.gz DLRTXQCGSLFQNG-CHWSQXEVSA-N 1 0 240.391 2.304 10 0 BEAERO CC(C)CCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089393503 644549021 /nfs/dbraw/zinc/54/90/21/644549021.db2.gz DLRTXQCGSLFQNG-STQMWFEESA-N 1 0 240.391 2.304 10 0 BEAERO COC(=O)[C@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC000094996289 644735780 /nfs/dbraw/zinc/73/57/80/644735780.db2.gz OMKGZJSATQISAZ-YPMHNXCESA-N 1 0 239.359 2.308 10 0 BEAERO CC(C)(CCS(C)(=O)=O)[NH2+]C1CCCCC1 ZINC000095988373 644784952 /nfs/dbraw/zinc/78/49/52/644784952.db2.gz OWQLPOGVTHRBRV-UHFFFAOYSA-N 1 0 247.404 2.122 10 0 BEAERO C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000251086802 644792598 /nfs/dbraw/zinc/79/25/98/644792598.db2.gz JHGVHILZOGTMEF-GRYCIOLGSA-N 1 0 240.391 2.160 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1C ZINC000303315353 644816315 /nfs/dbraw/zinc/81/63/15/644816315.db2.gz NDPAUTMABMOHDQ-WCQYABFASA-N 1 0 239.359 2.308 10 0 BEAERO C[C@H]([NH2+]Cc1cccnc1Cl)[C@@H]1CCCO1 ZINC000105418367 645314910 /nfs/dbraw/zinc/31/49/10/645314910.db2.gz HRZVXAPWEZFSCN-ONGXEEELSA-N 1 0 240.734 2.392 10 0 BEAERO C[C@H]([NH2+]Cc1cccnc1Cl)[C@H]1CCCO1 ZINC000105418373 645314945 /nfs/dbraw/zinc/31/49/45/645314945.db2.gz HRZVXAPWEZFSCN-GXSJLCMTSA-N 1 0 240.734 2.392 10 0 BEAERO C[C@H]1[C@@H](O)CCCN1Cc1scnc1Cl ZINC000721931893 711939287 /nfs/dbraw/zinc/93/92/87/711939287.db2.gz MAGYBSJOICFOAV-YUMQZZPRSA-N 1 0 246.763 2.142 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(Cl)cn1 ZINC000721932845 711939737 /nfs/dbraw/zinc/93/97/37/711939737.db2.gz VOEGXTXCISWIHU-VIFPVBQESA-N 1 0 225.723 2.145 10 0 BEAERO CSC1CC([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000708280148 712185808 /nfs/dbraw/zinc/18/58/08/712185808.db2.gz BRVCHXUZPHDDLZ-NWGYLPEXSA-N 1 0 237.372 2.271 10 0 BEAERO CSC1CC([NH2+][C@@H](C)c2cnccn2)C1 ZINC000708243287 712184945 /nfs/dbraw/zinc/18/49/45/712184945.db2.gz LRAXBEPACLXFNY-IDKOKCKLSA-N 1 0 223.345 2.021 10 0 BEAERO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708699646 712197486 /nfs/dbraw/zinc/19/74/86/712197486.db2.gz YGPLXEDRJYZVON-MXWKQRLJSA-N 1 0 235.318 2.228 10 0 BEAERO CCCCCC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000378786017 712361026 /nfs/dbraw/zinc/36/10/26/712361026.db2.gz LIBXNFOGYXQNLG-JHJVBQTASA-N 1 0 229.364 2.085 10 0 BEAERO C=C/C=C\CC[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC000713646069 712468427 /nfs/dbraw/zinc/46/84/27/712468427.db2.gz PKOQNRGYTSDYKS-DSYXLKISSA-N 1 0 207.317 2.420 10 0 BEAERO COCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000713918576 712472951 /nfs/dbraw/zinc/47/29/51/712472951.db2.gz TXQYJBGEKPGNKY-UHFFFAOYSA-N 1 0 223.291 2.340 10 0 BEAERO COCC1CC([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000713995274 712476786 /nfs/dbraw/zinc/47/67/86/712476786.db2.gz GEVZEFCALMMACR-GDKBPFBDSA-N 1 0 211.349 2.436 10 0 BEAERO COCC1CC([NH2+]CC2(SC)CCC2)C1 ZINC000714007018 712476816 /nfs/dbraw/zinc/47/68/16/712476816.db2.gz KPSDCKRTGXWFSL-UHFFFAOYSA-N 1 0 229.389 2.287 10 0 BEAERO COCC1CC([NH2+]Cc2cccc(F)c2F)C1 ZINC000713961712 712475209 /nfs/dbraw/zinc/47/52/09/712475209.db2.gz UJJPNECRTZAXQR-UHFFFAOYSA-N 1 0 241.281 2.479 10 0 BEAERO COCC1CC([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000713958736 712475213 /nfs/dbraw/zinc/47/52/13/712475213.db2.gz JJUBVWVHAZAFRR-MCIGGMRASA-N 1 0 241.375 2.347 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2cccc(C(F)(F)F)n2)C1 ZINC000715086889 712507556 /nfs/dbraw/zinc/50/75/56/712507556.db2.gz ZPDZUWXLOJYFNS-OCAPTIKFSA-N 1 0 245.248 2.250 10 0 BEAERO CCCCCC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037041802 712530906 /nfs/dbraw/zinc/53/09/06/712530906.db2.gz DMXOVKFZIRVZKD-CHWSQXEVSA-N 1 0 240.391 2.461 10 0 BEAERO CC(C)(O)C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716008585 712552271 /nfs/dbraw/zinc/55/22/71/712552271.db2.gz NDMJQDCNZWWNBH-FGWVZKOKSA-N 1 0 229.389 2.021 10 0 BEAERO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC(C(N)=O)C1 ZINC000716770223 712572905 /nfs/dbraw/zinc/57/29/05/712572905.db2.gz NSZCAGVNWAQDSZ-QTAHKJALSA-N 1 0 226.364 2.055 10 0 BEAERO c1ccc2c(c1)CCN2CCC[NH2+]C1CC1 ZINC000037478511 712648349 /nfs/dbraw/zinc/64/83/49/712648349.db2.gz STALKAHLKHRWHQ-UHFFFAOYSA-N 1 0 216.328 2.191 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717820368 712681294 /nfs/dbraw/zinc/68/12/94/712681294.db2.gz VJCBVBDVQWYVIO-CYBMUJFWSA-N 1 0 241.375 2.086 10 0 BEAERO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000718789578 712782782 /nfs/dbraw/zinc/78/27/82/712782782.db2.gz MFGXJALFAZYFHI-MCIONIFRSA-N 1 0 241.375 2.493 10 0 BEAERO COC[C@@](C)(O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719264144 712802246 /nfs/dbraw/zinc/80/22/46/712802246.db2.gz DWDZJTVXVAFXMQ-OCCSQVGLSA-N 1 0 243.391 2.332 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]2O)c(C)c1 ZINC000724087565 710737060 /nfs/dbraw/zinc/73/70/60/710737060.db2.gz VVADHTPXIVRQSK-TZMCWYRMSA-N 1 0 234.343 2.092 10 0 BEAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C(C)(C)C1 ZINC000380564029 712901609 /nfs/dbraw/zinc/90/16/09/712901609.db2.gz NQYXUZFWZYJMKY-SRVKXCTJSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H](C)CC1(C)C ZINC000380598156 712901852 /nfs/dbraw/zinc/90/18/52/712901852.db2.gz YPODZNZISZIZLZ-MNOVXSKESA-N 1 0 226.364 2.007 10 0 BEAERO COC[C@@H](C[N@@H+]1CCC[C@@H]1CCCO)C(C)C ZINC000721968113 710696389 /nfs/dbraw/zinc/69/63/89/710696389.db2.gz RJBYURNKUOGNRM-ZIAGYGMSSA-N 1 0 243.391 2.142 10 0 BEAERO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000722618872 711455939 /nfs/dbraw/zinc/45/59/39/711455939.db2.gz WWQRALCIKUAKAX-NXEZZACHSA-N 1 0 233.302 2.125 10 0 BEAERO CN(CCC[NH2+]C1CC1)Cc1cccs1 ZINC000037478594 711466917 /nfs/dbraw/zinc/46/69/17/711466917.db2.gz WJOCQIFZTXYDSL-UHFFFAOYSA-N 1 0 224.373 2.322 10 0 BEAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000296362393 711507865 /nfs/dbraw/zinc/50/78/65/711507865.db2.gz SDNKOESZKPFRRE-OSAQELSMSA-N 1 0 231.339 2.172 10 0 BEAERO C[C@@H]1CN(c2ncccc2Cl)C[C@H]1CC[NH3+] ZINC000723886927 711543417 /nfs/dbraw/zinc/54/34/17/711543417.db2.gz OKRFHJGIZUAZON-NXEZZACHSA-N 1 0 239.750 2.156 10 0 BEAERO CC[C@@H](COC)[NH2+]Cc1ncc(C)cc1C ZINC000724020824 711556837 /nfs/dbraw/zinc/55/68/37/711556837.db2.gz FGNIUTLGSNQCMX-LBPRGKRZSA-N 1 0 222.332 2.213 10 0 BEAERO Cc1cnc(C[NH2+]Cc2cccnc2)c(C)c1 ZINC000724022678 711556993 /nfs/dbraw/zinc/55/69/93/711556993.db2.gz LIXNSDHOQBDLRW-UHFFFAOYSA-N 1 0 227.311 2.383 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2COCC2(C)C)c(C)c1 ZINC000724074398 711559133 /nfs/dbraw/zinc/55/91/33/711559133.db2.gz YOVRSSMPXOMXFE-CYBMUJFWSA-N 1 0 234.343 2.213 10 0 BEAERO CC[C@H]1C[C@@H]([NH2+]Cc2ncc(C)cc2C)CO1 ZINC000724098707 711560550 /nfs/dbraw/zinc/56/05/50/711560550.db2.gz UMAPZKOACBITCS-OLZOCXBDSA-N 1 0 234.343 2.356 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000309054608 711586164 /nfs/dbraw/zinc/58/61/64/711586164.db2.gz SYJZMHNGJOYUGL-XHNCKOQMSA-N 1 0 228.723 2.155 10 0 BEAERO C(CO[C@@H]1CCOC1)[NH2+]C1(C2CCC2)CCC1 ZINC000724942442 711632011 /nfs/dbraw/zinc/63/20/11/711632011.db2.gz BKENRHYNSVSVEA-CYBMUJFWSA-N 1 0 239.359 2.104 10 0 BEAERO OC1CC2(C[C@@H]2[NH2+][C@H]2CCc3ccccc32)C1 ZINC000724968095 711638727 /nfs/dbraw/zinc/63/87/27/711638727.db2.gz ZPAPBUSCJNORMN-IFFKYPLHSA-N 1 0 229.323 2.177 10 0 BEAERO CCc1cc(CC)nc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721877500 711794662 /nfs/dbraw/zinc/79/46/62/711794662.db2.gz ZASFOIXBHLGOJE-LBPRGKRZSA-N 1 0 248.374 2.011 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCC(CC)(CC)SC ZINC000225536242 711829165 /nfs/dbraw/zinc/82/91/65/711829165.db2.gz QAIPHYGRYLZBGX-JTQLQIEISA-N 1 0 246.420 2.152 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000360996896 711978790 /nfs/dbraw/zinc/97/87/90/711978790.db2.gz LYIUJXGHMIDHNA-PKFCDNJMSA-N 1 0 235.327 2.129 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCC[C@H]2C)n1 ZINC000700465618 711996108 /nfs/dbraw/zinc/99/61/08/711996108.db2.gz FGBUDKLGDKCGBF-KOLCDFICSA-N 1 0 235.331 2.159 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)n1 ZINC000700463068 711996153 /nfs/dbraw/zinc/99/61/53/711996153.db2.gz RIQKXSQVBYTFLG-HOSYDEDBSA-N 1 0 249.358 2.405 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708426702 712194121 /nfs/dbraw/zinc/19/41/21/712194121.db2.gz NMNUYFUQJLFPMF-QWHCGFSZSA-N 1 0 239.359 2.103 10 0 BEAERO CO[C@H]1C[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000708659831 712196504 /nfs/dbraw/zinc/19/65/04/712196504.db2.gz UEMNHOLTJLLJTJ-OKILXGFUSA-N 1 0 219.328 2.244 10 0 BEAERO C[C@@H](C[NH2+]C(C)(C)CO)CC(C)(C)C ZINC000709143544 712210470 /nfs/dbraw/zinc/21/04/70/712210470.db2.gz KZCSCFNPSDBTSX-SNVBAGLBSA-N 1 0 201.354 2.419 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cn(C)cn1 ZINC000710024215 712241567 /nfs/dbraw/zinc/24/15/67/712241567.db2.gz PCLLKAHZSLTKBC-NNYUYHANSA-N 1 0 219.332 2.259 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000710509725 712253811 /nfs/dbraw/zinc/25/38/11/712253811.db2.gz FRFYMYKYGGRLTL-LPWJVIDDSA-N 1 0 209.333 2.070 10 0 BEAERO CC1(C)C[C@H]1c1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000711089120 712279406 /nfs/dbraw/zinc/27/94/06/712279406.db2.gz FJKUFVQZURXZDG-IUCAKERBSA-N 1 0 235.331 2.296 10 0 BEAERO CC(C)(C)Cc1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000711091463 712279491 /nfs/dbraw/zinc/27/94/91/712279491.db2.gz VAKCUWKWHGNUJY-VIFPVBQESA-N 1 0 237.347 2.371 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711147335 712286504 /nfs/dbraw/zinc/28/65/04/712286504.db2.gz RWWHKGCQOMZRBH-XVIXHAIJSA-N 1 0 223.360 2.458 10 0 BEAERO C[C@@](O)(C[N@@H+]1CC[C@H](CF)C1)c1ccccc1 ZINC000711466158 712302248 /nfs/dbraw/zinc/30/22/48/712302248.db2.gz DYSBBPQKKXPZSO-TZMCWYRMSA-N 1 0 237.318 2.186 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000378682896 712357449 /nfs/dbraw/zinc/35/74/49/712357449.db2.gz YJPWMPIHEZPERK-MBJXGIAVSA-N 1 0 223.360 2.316 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000378682898 712357775 /nfs/dbraw/zinc/35/77/75/712357775.db2.gz YJPWMPIHEZPERK-QSLWVIQJSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)[C@@H](C)O ZINC000379547651 712387497 /nfs/dbraw/zinc/38/74/97/712387497.db2.gz XYIWHTAQQLQJBA-KXUCPTDWSA-N 1 0 219.394 2.266 10 0 BEAERO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)[C@H](C)O ZINC000379547653 712387803 /nfs/dbraw/zinc/38/78/03/712387803.db2.gz XYIWHTAQQLQJBA-UTLUCORTSA-N 1 0 219.394 2.266 10 0 BEAERO CC(C)[C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000712989012 712450685 /nfs/dbraw/zinc/45/06/85/712450685.db2.gz JUIAOIFMDVFRPP-GHMZBOCLSA-N 1 0 228.380 2.157 10 0 BEAERO COCC1CC([NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000713977417 712475419 /nfs/dbraw/zinc/47/54/19/712475419.db2.gz GKOBLPWFIOBGJD-QTAHKJALSA-N 1 0 229.389 2.285 10 0 BEAERO COCC1CC([NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000713977420 712475590 /nfs/dbraw/zinc/47/55/90/712475590.db2.gz GKOBLPWFIOBGJD-UZEXVOJHSA-N 1 0 229.389 2.285 10 0 BEAERO CCC1([NH3+])CCN([C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000714752917 712497252 /nfs/dbraw/zinc/49/72/52/712497252.db2.gz FJWJZDHURZUVLJ-VXGBXAGGSA-N 1 0 248.374 2.092 10 0 BEAERO CCC1([NH3+])CCN(c2ncccc2Cl)CC1 ZINC000714751912 712497367 /nfs/dbraw/zinc/49/73/67/712497367.db2.gz JWGRRNBXZDFOPV-UHFFFAOYSA-N 1 0 239.750 2.443 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2nc3ccccc3s2)C1 ZINC000715080894 712507249 /nfs/dbraw/zinc/50/72/49/712507249.db2.gz HEZJPBLGANTKID-KYZUINATSA-N 1 0 233.340 2.446 10 0 BEAERO Cc1csc2c1ncnc2NC[C@H]1C[C@H]([NH3+])C1 ZINC000715107784 712509424 /nfs/dbraw/zinc/50/94/24/712509424.db2.gz DHCBPONRMXJTGI-KYZUINATSA-N 1 0 248.355 2.149 10 0 BEAERO Cc1c(C[NH2+]CC[C@@H]2CCCS2)cnn1C ZINC000715792617 712532535 /nfs/dbraw/zinc/53/25/35/712532535.db2.gz SAEUDZFVBMUHFZ-LBPRGKRZSA-N 1 0 239.388 2.104 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC000715816265 712533736 /nfs/dbraw/zinc/53/37/36/712533736.db2.gz XPXOABUGSYENSO-PWSUYJOCSA-N 1 0 240.734 2.128 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876959 712538323 /nfs/dbraw/zinc/53/83/23/712538323.db2.gz JBWUSDJZVOKVRG-ONGXEEELSA-N 1 0 222.336 2.044 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1cn(C)nn1 ZINC000715921438 712542622 /nfs/dbraw/zinc/54/26/22/712542622.db2.gz LHIGZQLOMHSYLX-DRZSPHRISA-N 1 0 242.326 2.022 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1cn(C)nn1 ZINC000715921440 712542658 /nfs/dbraw/zinc/54/26/58/712542658.db2.gz LHIGZQLOMHSYLX-UHTWSYAYSA-N 1 0 242.326 2.022 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCCC1CC1 ZINC000716358454 712556329 /nfs/dbraw/zinc/55/63/29/712556329.db2.gz CTSKLHUXAHBNSM-QWHCGFSZSA-N 1 0 238.375 2.058 10 0 BEAERO [NH3+]C1CCC(C(=O)NCCCCC2CC2)CC1 ZINC000716360853 712556609 /nfs/dbraw/zinc/55/66/09/712556609.db2.gz PKJFHDRNKNIDCQ-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000716574530 712564135 /nfs/dbraw/zinc/56/41/35/712564135.db2.gz CBKCDTZUQLFBKV-BBMNEWJDSA-N 1 0 223.360 2.172 10 0 BEAERO CCCCC[C@@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037267401 712565123 /nfs/dbraw/zinc/56/51/23/712565123.db2.gz ADJFGPKCYOQDDW-LLVKDONJSA-N 1 0 241.379 2.088 10 0 BEAERO CC[C@@H]1CCC[C@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716683203 712569727 /nfs/dbraw/zinc/56/97/27/712569727.db2.gz HURMUIXGNOFYGX-IALDZJHCSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@@H]1CCC[C@@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716683204 712569777 /nfs/dbraw/zinc/56/97/77/712569777.db2.gz HURMUIXGNOFYGX-OKZRHMCRSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CC(C)(C)C1 ZINC000716682258 712569782 /nfs/dbraw/zinc/56/97/82/712569782.db2.gz AWENPLUOTKRPEG-HBIQZDMRSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@H]1CCC[C@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716683207 712569845 /nfs/dbraw/zinc/56/98/45/712569845.db2.gz HURMUIXGNOFYGX-ZSVAQUKISA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)CC[C@@H]([NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716683849 712570062 /nfs/dbraw/zinc/57/00/62/712570062.db2.gz KVQUSHGSWWJUCU-WXRRBKDZSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC(C(N)=O)C1 ZINC000716706081 712570431 /nfs/dbraw/zinc/57/04/31/712570431.db2.gz LXCALYLYUZFSMA-ZFDZMSFRSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cccc(C)c1 ZINC000716721412 712570677 /nfs/dbraw/zinc/57/06/77/712570677.db2.gz CRRSEVCWUZLFDF-JXQTWKCFSA-N 1 0 246.354 2.300 10 0 BEAERO CCC[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CC1(C)C ZINC000716718590 712570718 /nfs/dbraw/zinc/57/07/18/712570718.db2.gz XRWVQSPRMQAVQM-HCWSGVFWSA-N 1 0 238.375 2.055 10 0 BEAERO Cc1cc(C)cc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716722405 712570775 /nfs/dbraw/zinc/57/07/75/712570775.db2.gz JCOCJWYNMKBFFA-LMWSTFAQSA-N 1 0 246.354 2.218 10 0 BEAERO CC[C@H](C)C[C@H](CC)[NH2+]C1CC(C(N)=O)C1 ZINC000716770225 712572982 /nfs/dbraw/zinc/57/29/82/712572982.db2.gz NSZCAGVNWAQDSZ-VOBJUBJWSA-N 1 0 226.364 2.055 10 0 BEAERO COC1CC([NH2+][C@@H](C)CCC(F)(F)F)C1 ZINC000379915548 712626456 /nfs/dbraw/zinc/62/64/56/712626456.db2.gz BUUKQDHNIUPHSP-UEJVZZJDSA-N 1 0 225.254 2.484 10 0 BEAERO CC[C@H]([NH2+]CC1(C)OCCO1)C(C)(C)C ZINC000379978344 712643714 /nfs/dbraw/zinc/64/37/14/712643714.db2.gz FYAURNXRJZOUBC-JTQLQIEISA-N 1 0 215.337 2.164 10 0 BEAERO c1ccc(CC[NH2+]CCc2cccnc2)cc1 ZINC000037502661 712656345 /nfs/dbraw/zinc/65/63/45/712656345.db2.gz JGEQGFYCPMABTR-UHFFFAOYSA-N 1 0 226.323 2.456 10 0 BEAERO C[C@]1([NH2+]CCc2ccccc2)CCCOC1 ZINC000221260453 712658639 /nfs/dbraw/zinc/65/86/39/712658639.db2.gz PETVZUPGZDVFHI-AWEZNQCLSA-N 1 0 219.328 2.388 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)Nc1ccccc1OC ZINC000037621120 712682217 /nfs/dbraw/zinc/68/22/17/712682217.db2.gz AJMSRIMXAXJKQY-ZDUSSCGKSA-N 1 0 236.315 2.151 10 0 BEAERO c1nsnc1C[NH2+]C1(C2CCC2)CCC1 ZINC000717884258 712731456 /nfs/dbraw/zinc/73/14/56/712731456.db2.gz CLTPKBJPEHVVCE-UHFFFAOYSA-N 1 0 223.345 2.351 10 0 BEAERO CCOC(=O)/C=C/C[NH2+]C1(C2CCC2)CCC1 ZINC000717888537 712731478 /nfs/dbraw/zinc/73/14/78/712731478.db2.gz VQTCAOISRVDOOJ-XBXARRHUSA-N 1 0 237.343 2.418 10 0 BEAERO CN1CCC[C@H]1C[NH2+]C1(C2CC2)CCC1 ZINC000717903397 712732642 /nfs/dbraw/zinc/73/26/42/712732642.db2.gz IRDKLAMHXOKXSR-LBPRGKRZSA-N 1 0 208.349 2.003 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2cc(C)co2)C1 ZINC000718034747 712737266 /nfs/dbraw/zinc/73/72/66/712737266.db2.gz FLAXWOZFTMNMLE-GFCCVEGCSA-N 1 0 222.332 2.162 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000718978313 712790830 /nfs/dbraw/zinc/79/08/30/712790830.db2.gz CGIDTYBBXKGKSM-NEPJUHHUSA-N 1 0 227.348 2.116 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000718978317 712790933 /nfs/dbraw/zinc/79/09/33/712790933.db2.gz CGIDTYBBXKGKSM-RYUDHWBXSA-N 1 0 227.348 2.116 10 0 BEAERO CN(CC(C)(C)C[NH3+])c1ccnc2ncccc12 ZINC000718982414 712791688 /nfs/dbraw/zinc/79/16/88/712791688.db2.gz USWKKJLUOHDAOB-UHFFFAOYSA-N 1 0 244.342 2.051 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1ccnc2ncccc12 ZINC000718986464 712791760 /nfs/dbraw/zinc/79/17/60/712791760.db2.gz NLLHNYDQURGTHT-LLVKDONJSA-N 1 0 244.342 2.415 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccnc2ncccc12 ZINC000718989837 712792773 /nfs/dbraw/zinc/79/27/73/712792773.db2.gz PQVHSUFJVMUMEF-UWVGGRQHSA-N 1 0 230.315 2.168 10 0 BEAERO c1ccc(CC[NH2+]CC[C@H]2CCCO2)cc1 ZINC000037988783 712796415 /nfs/dbraw/zinc/79/64/15/712796415.db2.gz AFNQUGLRPQSQEE-CQSZACIVSA-N 1 0 219.328 2.388 10 0 BEAERO CCN(C)C(=O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719221901 712800190 /nfs/dbraw/zinc/80/01/90/712800190.db2.gz OATKDAWWJOEEJR-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000719224415 712800582 /nfs/dbraw/zinc/80/05/82/712800582.db2.gz HLTGRUUNAQQKTD-QWHCGFSZSA-N 1 0 241.375 2.350 10 0 BEAERO CC(=O)NCCC[NH2+][C@H]1CCCCCC1(C)C ZINC000719278250 712802980 /nfs/dbraw/zinc/80/29/80/712802980.db2.gz XPRNRJWKPSZWEM-ZDUSSCGKSA-N 1 0 240.391 2.461 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(C)nn1 ZINC000720516516 712848214 /nfs/dbraw/zinc/84/82/14/712848214.db2.gz IYLQDMQRXYSWAV-IACUBPJLSA-N 1 0 231.343 2.372 10 0 BEAERO CCCC[C@H](CC)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720584740 712854666 /nfs/dbraw/zinc/85/46/66/712854666.db2.gz UZBGKHPXAAPGIK-QWRGUYRKSA-N 1 0 224.352 2.435 10 0 BEAERO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)c1cn(C)nn1 ZINC000720592686 712856144 /nfs/dbraw/zinc/85/61/44/712856144.db2.gz ZSKCJWBRJWMHJN-GARJFASQSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)c1cn(C)nn1 ZINC000720592685 712856147 /nfs/dbraw/zinc/85/61/47/712856147.db2.gz ZSKCJWBRJWMHJN-DCAQKATOSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@H]([NH2+][C@H]1C=CCCCCC1)c1cn(C)nn1 ZINC000720595223 712856644 /nfs/dbraw/zinc/85/66/44/712856644.db2.gz JUIUYZXMRBPONE-RYUDHWBXSA-N 1 0 234.347 2.355 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)c1cn(C)nn1 ZINC000720602211 712857224 /nfs/dbraw/zinc/85/72/24/712857224.db2.gz KKEDXONMLJJDPQ-DRZSPHRISA-N 1 0 248.374 2.435 10 0 BEAERO C[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)c1cn(C)nn1 ZINC000720607911 712858498 /nfs/dbraw/zinc/85/84/98/712858498.db2.gz WZQZPTNRQPYLMS-WYUUTHIRSA-N 1 0 234.347 2.044 10 0 BEAERO C[NH2+]CCN(c1ncc(Cl)cc1F)C(C)C ZINC000720823968 712867763 /nfs/dbraw/zinc/86/77/63/712867763.db2.gz NSDLZMYXJAYVDA-UHFFFAOYSA-N 1 0 245.729 2.308 10 0 BEAERO CC(C)c1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)ncn1 ZINC000721026675 712887030 /nfs/dbraw/zinc/88/70/30/712887030.db2.gz GMAAOKDDASSMPK-VXGBXAGGSA-N 1 0 248.374 2.258 10 0 BEAERO C[NH2+]C[C@@H](C)c1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000721070665 712889298 /nfs/dbraw/zinc/88/92/98/712889298.db2.gz UQQTXYHRKPCNND-ZNSHCXBVSA-N 1 0 235.331 2.296 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1nc2ccccc2[nH]1 ZINC000721092616 712890259 /nfs/dbraw/zinc/89/02/59/712890259.db2.gz CNIHDJBADJQMCU-GHMZBOCLSA-N 1 0 244.342 2.220 10 0 BEAERO C[NH+](C)Cc1cc2c(O)c(c1)CCCC2 ZINC000032105222 960846745 /nfs/dbraw/zinc/84/67/45/960846745.db2.gz LUYMILWMWTYTPQ-UHFFFAOYSA-N 1 0 205.301 2.333 10 0 BEAERO c1cnn(CC[NH2+]Cc2cnc(C3CC3)s2)c1 ZINC000134219725 1167132305 /nfs/dbraw/zinc/13/23/05/1167132305.db2.gz LEJQDPWZONZTQG-UHFFFAOYSA-N 1 0 248.355 2.007 10 0 BEAERO CN1CCC[C@@H]1C[NH2+]CCc1ccc(F)cc1 ZINC000107787940 971817992 /nfs/dbraw/zinc/81/79/92/971817992.db2.gz PAAOJPGIKBLCRE-CQSZACIVSA-N 1 0 236.334 2.052 10 0 BEAERO C[C@H]1CCC[C@H]([N@H+](C)CN2CCOC2=S)C1 ZINC000124598586 960747866 /nfs/dbraw/zinc/74/78/66/960747866.db2.gz BFOPEMZMJMBCAG-QWRGUYRKSA-N 1 0 242.388 2.072 10 0 BEAERO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N)nc1 ZINC000136532456 960768655 /nfs/dbraw/zinc/76/86/55/960768655.db2.gz BHNONYHOYHZMGJ-ZYHUDNBSSA-N 1 0 219.332 2.427 10 0 BEAERO CC(C)OCC[NH2+]CCc1ccc(F)cc1 ZINC000042222416 1171046178 /nfs/dbraw/zinc/04/61/78/1171046178.db2.gz ZYAYUSDEIIZZCP-UHFFFAOYSA-N 1 0 225.307 2.383 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+]CCC(C)C ZINC000047888332 1171572833 /nfs/dbraw/zinc/57/28/33/1171572833.db2.gz PBYJQJNQLOCGAA-GFCCVEGCSA-N 1 0 200.370 2.352 10 0 BEAERO OCCCCC[NH2+]CCc1ccc(F)cc1 ZINC000051020579 1171863192 /nfs/dbraw/zinc/86/31/92/1171863192.db2.gz GLXOWTGJTJNWPU-UHFFFAOYSA-N 1 0 225.307 2.120 10 0 BEAERO CCc1ccccc1C[NH2+]C[C@@H]1CCOC1 ZINC000052202808 1171947054 /nfs/dbraw/zinc/94/70/54/1171947054.db2.gz IVBHFGFXGQJOKD-LBPRGKRZSA-N 1 0 219.328 2.375 10 0 BEAERO C[C@H]([NH3+])c1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685956703 538899679 /nfs/dbraw/zinc/89/96/79/538899679.db2.gz ZNLHUVJSQXQUDJ-BYPYZUCNSA-N 1 0 240.521 2.323 10 0 BEAERO CC(C)(C)OC(=O)[C@@]1(C)CC(C)(C)C[C@H]1[NH3+] ZINC000685959877 538907240 /nfs/dbraw/zinc/90/72/40/538907240.db2.gz UHDCGCOBGZKWOA-RNCFNFMXSA-N 1 0 227.348 2.482 10 0 BEAERO CCCC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685961358 538907993 /nfs/dbraw/zinc/90/79/93/538907993.db2.gz HDHRTZUEDDHLJU-BXUZGUMPSA-N 1 0 235.327 2.288 10 0 BEAERO CC(C)[C@@]1(CO)C[C@H]1C[NH+]1CCC(C)CC1 ZINC000685961171 538908078 /nfs/dbraw/zinc/90/80/78/538908078.db2.gz PBTMDGMUVIUFLM-KBPBESRZSA-N 1 0 225.376 2.373 10 0 BEAERO CCC(C)(CC)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000116359541 168311816 /nfs/dbraw/zinc/31/18/16/168311816.db2.gz GAPHBDCXYAIRLZ-UHFFFAOYSA-N 1 0 234.343 2.454 10 0 BEAERO CCCC[NH2+]CC1(CCOC)CCOCC1 ZINC000685960944 538908234 /nfs/dbraw/zinc/90/82/34/538908234.db2.gz HUPVGLUEFVSIAS-UHFFFAOYSA-N 1 0 229.364 2.209 10 0 BEAERO CC[C@H](C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961395 538908535 /nfs/dbraw/zinc/90/85/35/538908535.db2.gz HPZTZJKEQFPDGX-GXTWGEPZSA-N 1 0 248.370 2.061 10 0 BEAERO CCC[N@H+](CC)C[C@@H]1C[C@@]1(CO)C(C)C ZINC000685961715 538908726 /nfs/dbraw/zinc/90/87/26/538908726.db2.gz VQTVVMVDRASOKR-QWHCGFSZSA-N 1 0 213.365 2.373 10 0 BEAERO C[C@@H]([NH3+])C(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962726 538909531 /nfs/dbraw/zinc/90/95/31/538909531.db2.gz RKJNCTHFOIQXTG-VXGBXAGGSA-N 1 0 235.327 2.146 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@H]1C ZINC000685963228 538910127 /nfs/dbraw/zinc/91/01/27/538910127.db2.gz JXSWPDBAUAHPMJ-JHJVBQTASA-N 1 0 213.365 2.421 10 0 BEAERO Cc1cc(C)n([C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000037160068 177932262 /nfs/dbraw/zinc/93/22/62/177932262.db2.gz LMSTUBYAGRGANI-NWDGAFQWSA-N 1 0 207.321 2.190 10 0 BEAERO Cc1cc(C)n([C@@H](c2ccsc2)[C@H](C)[NH3+])n1 ZINC000043124128 177932435 /nfs/dbraw/zinc/93/24/35/177932435.db2.gz ZIAQAQZVVIMINC-CMPLNLGQSA-N 1 0 235.356 2.498 10 0 BEAERO Cc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cs1 ZINC000082991339 349440545 /nfs/dbraw/zinc/44/05/45/349440545.db2.gz OZXQRLAVYLVAJN-JQWIXIFHSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1cccc(C)c1Cn1cnc(N)c1 ZINC000685964150 538910977 /nfs/dbraw/zinc/91/09/77/538910977.db2.gz BPAJFOFAWLKURX-UHFFFAOYSA-N 1 0 201.273 2.130 10 0 BEAERO C[C@@]1(N)C[NH2+]C[C@H]1c1ccc(C(F)F)cc1 ZINC000685965354 538912004 /nfs/dbraw/zinc/91/20/04/538912004.db2.gz AYTDJQLWARFBMB-CMPLNLGQSA-N 1 0 226.270 2.028 10 0 BEAERO C[C@@H]1C[C@H]2CC[C@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000685965649 538912528 /nfs/dbraw/zinc/91/25/28/538912528.db2.gz MWGXDHITUGAYCN-LPWJVIDDSA-N 1 0 221.344 2.476 10 0 BEAERO Cc1cc(C)nc(N[C@@H](C)CCCC[NH3+])n1 ZINC000309400142 177945508 /nfs/dbraw/zinc/94/55/08/177945508.db2.gz DGGCVOQYOIQWEX-VIFPVBQESA-N 1 0 222.336 2.023 10 0 BEAERO Cc1cc2ccccc2nc1N1CC[C@@H]([NH3+])[C@H]1C ZINC000385212757 398140539 /nfs/dbraw/zinc/14/05/39/398140539.db2.gz KIWBLVIJPBEWQD-DGCLKSJQSA-N 1 0 241.338 2.469 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@@H](c3ccnnc3)C2)cc1 ZINC000616611703 349467399 /nfs/dbraw/zinc/46/73/99/349467399.db2.gz LIWZLUNLDGZVOY-OAHLLOKOSA-N 1 0 239.322 2.466 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000161600119 349484748 /nfs/dbraw/zinc/48/47/48/349484748.db2.gz BZFSVVBUJKLRFT-NSHDSACASA-N 1 0 223.291 2.030 10 0 BEAERO CCC(CC)(CO)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000104188342 168326801 /nfs/dbraw/zinc/32/68/01/168326801.db2.gz ZCLVWAARIYUSBU-ZDUSSCGKSA-N 1 0 243.391 2.144 10 0 BEAERO C[C@@H](F)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378716437 346814592 /nfs/dbraw/zinc/81/45/92/346814592.db2.gz ZZRPJYHHWRAKSW-YTWAJWBKSA-N 1 0 215.312 2.138 10 0 BEAERO CCC(CC)(CO)[NH2+]CC1(O)CCCCCC1 ZINC000053070513 168330426 /nfs/dbraw/zinc/33/04/26/168330426.db2.gz QCGXUESNBSBJNV-UHFFFAOYSA-N 1 0 243.391 2.212 10 0 BEAERO Cc1cc(C[NH2+]CCc2cccnc2)c(C)n1C ZINC000052790288 178021855 /nfs/dbraw/zinc/02/18/55/178021855.db2.gz AUIBPDPFPXYOHW-UHFFFAOYSA-N 1 0 243.354 2.369 10 0 BEAERO Cc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1N ZINC000020071824 178007859 /nfs/dbraw/zinc/00/78/59/178007859.db2.gz CCZRSFOJHBJTGY-RYUDHWBXSA-N 1 0 234.343 2.186 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H](O)C(C)C)cc(C)c1O ZINC000124571927 178022059 /nfs/dbraw/zinc/02/20/59/178022059.db2.gz ATOSFRWEZZZASY-CYBMUJFWSA-N 1 0 237.343 2.116 10 0 BEAERO Cc1cc(C[NH2+]C(C)(C)C)ccc1-n1cncn1 ZINC000050562408 178016831 /nfs/dbraw/zinc/01/68/31/178016831.db2.gz HQVJUDRUDSQVTH-UHFFFAOYSA-N 1 0 244.342 2.464 10 0 BEAERO Cc1cc(CNCCC[NH+](C)C)cc(C)c1O ZINC000020305176 178020561 /nfs/dbraw/zinc/02/05/61/178020561.db2.gz FBFOOKXYDKKJAU-UHFFFAOYSA-N 1 0 236.359 2.050 10 0 BEAERO Cc1cc(C[NH2+]CC2(O)CCCC2)cc(C)c1O ZINC000087016376 178021426 /nfs/dbraw/zinc/02/14/26/178021426.db2.gz QPDMQJWZYMIZRD-UHFFFAOYSA-N 1 0 249.354 2.404 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCOC2)cc(C)c1O ZINC000037738490 178023449 /nfs/dbraw/zinc/02/34/49/178023449.db2.gz XFXIHNXQSLGKAQ-LBPRGKRZSA-N 1 0 235.327 2.135 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)ccc1F ZINC000367599717 178025049 /nfs/dbraw/zinc/02/50/49/178025049.db2.gz BCGWRALXQCWNAA-XYYAHUGASA-N 1 0 235.302 2.116 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)cc(C)c1O ZINC000051995020 178040005 /nfs/dbraw/zinc/04/00/05/178040005.db2.gz CDFRGYKLJMVWCD-UONOGXRCSA-N 1 0 249.354 2.402 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2O)cc(C)c1O ZINC000051995014 178040027 /nfs/dbraw/zinc/04/00/27/178040027.db2.gz CDFRGYKLJMVWCD-KBPBESRZSA-N 1 0 249.354 2.402 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCOC2)cc(C)c1O ZINC000109544501 178040164 /nfs/dbraw/zinc/04/01/64/178040164.db2.gz TTZWTNQWZUMWLX-ZDUSSCGKSA-N 1 0 235.327 2.278 10 0 BEAERO Cc1cc(C[C@@H]2CCCCC[NH2+]2)ccn1 ZINC000006792923 178055262 /nfs/dbraw/zinc/05/52/62/178055262.db2.gz WUZGNRMAWBTSDY-ZDUSSCGKSA-N 1 0 204.317 2.465 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000385429747 398160864 /nfs/dbraw/zinc/16/08/64/398160864.db2.gz IICWEOFRFWFQHF-GHMZBOCLSA-N 1 0 226.364 2.007 10 0 BEAERO C[C@H]([NH3+])C(=O)Sc1c[nH]c2ccccc12 ZINC000071789504 398161725 /nfs/dbraw/zinc/16/17/25/398161725.db2.gz NOFAGVCCOGAOOT-ZETCQYMHSA-N 1 0 220.297 2.134 10 0 BEAERO Cc1cc(Cl)ccc1N(C)[C@H](C)C[NH3+] ZINC000020260800 178067679 /nfs/dbraw/zinc/06/76/79/178067679.db2.gz FENFDZHJERQOQA-SECBINFHSA-N 1 0 212.724 2.432 10 0 BEAERO Cc1cc(Cl)nc(N[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000095068926 178071275 /nfs/dbraw/zinc/07/12/75/178071275.db2.gz VAYSACOMRISDFR-DTWKUNHWSA-N 1 0 240.738 2.120 10 0 BEAERO Cc1cc(F)ccc1-c1nnc(CCC[NH3+])o1 ZINC000083362167 178081038 /nfs/dbraw/zinc/08/10/38/178081038.db2.gz LWTYOOOVFFPXNX-UHFFFAOYSA-N 1 0 235.262 2.075 10 0 BEAERO Cc1cc(F)ccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375767180 178086916 /nfs/dbraw/zinc/08/69/16/178086916.db2.gz BJBVRVKUDHWTIA-ZSOGYDGISA-N 1 0 235.302 2.116 10 0 BEAERO Cc1cc(F)ccc1C[NH2+]CCc1c[nH]cn1 ZINC000083359988 178087599 /nfs/dbraw/zinc/08/75/99/178087599.db2.gz HHCMJEDUMJXCRD-UHFFFAOYSA-N 1 0 233.290 2.190 10 0 BEAERO Cc1cc(F)ccc1N1CC[NH2+][C@@H](C)CC1 ZINC000049661404 178087877 /nfs/dbraw/zinc/08/78/77/178087877.db2.gz AGUJBJGVYAJGKJ-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO Cc1cc([C@]2(F)CC[C@@H]([NH3+])C2)sn1 ZINC000306426760 398190669 /nfs/dbraw/zinc/19/06/69/398190669.db2.gz WPEBLQDAEVXGFU-APPZFPTMSA-N 1 0 200.282 2.128 10 0 BEAERO Cc1cc(F)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043324345 178090893 /nfs/dbraw/zinc/09/08/93/178090893.db2.gz DBQMMXDKEGTLNI-NSHDSACASA-N 1 0 208.280 2.298 10 0 BEAERO Cc1cc(F)ccc1[C@H](O)C[NH2+]C(C)C ZINC000055028884 178091932 /nfs/dbraw/zinc/09/19/32/178091932.db2.gz WYPVGOXGRFLDFL-GFCCVEGCSA-N 1 0 211.280 2.166 10 0 BEAERO Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)C(C)C ZINC000050578153 178091991 /nfs/dbraw/zinc/09/19/91/178091991.db2.gz IUPAXTUJFPGDFW-CYBMUJFWSA-N 1 0 224.323 2.474 10 0 BEAERO CCn1cc([C@@H]2[NH2+]CC23CCCCC3)cn1 ZINC000380674328 398196570 /nfs/dbraw/zinc/19/65/70/398196570.db2.gz COBTWUXGHPHDFM-LBPRGKRZSA-N 1 0 219.332 2.498 10 0 BEAERO Cc1cc(N)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564606 178106447 /nfs/dbraw/zinc/10/64/47/178106447.db2.gz IVLWJMHMYRMZFS-ZIAGYGMSSA-N 1 0 231.343 2.226 10 0 BEAERO Cc1cc(N)ccc1SC[C@H]1CC[NH2+]C1 ZINC000051891140 178107092 /nfs/dbraw/zinc/10/70/92/178107092.db2.gz NCJGUERNVBRYQZ-JTQLQIEISA-N 1 0 222.357 2.279 10 0 BEAERO COc1cccc([C@H](C[NH3+])C2(CO)CCCC2)c1 ZINC000536954111 398197986 /nfs/dbraw/zinc/19/79/86/398197986.db2.gz NYERREKKGORRDA-AWEZNQCLSA-N 1 0 249.354 2.290 10 0 BEAERO Cc1cc(N2CCCO[C@@H](C)C2)ccc1CC[NH3+] ZINC000104254187 178113975 /nfs/dbraw/zinc/11/39/75/178113975.db2.gz PEKJZBWHYSUYOV-ZDUSSCGKSA-N 1 0 248.370 2.111 10 0 BEAERO Cc1cc(N2CCC[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000274353934 178115938 /nfs/dbraw/zinc/11/59/38/178115938.db2.gz LIFWVSDXOILEKW-AWEZNQCLSA-N 1 0 242.326 2.465 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000293904554 398205856 /nfs/dbraw/zinc/20/58/56/398205856.db2.gz HNOGKCXAHBCRFF-GMTAPVOTSA-N 1 0 205.305 2.106 10 0 BEAERO Cc1cnccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000296230560 398208168 /nfs/dbraw/zinc/20/81/68/398208168.db2.gz CGSSCYTUIQKHDR-WCQYABFASA-N 1 0 220.316 2.047 10 0 BEAERO CO[C@H](C(C)C)[C@@H]1[NH2+]C(C)(C)CS1 ZINC000306789000 398200589 /nfs/dbraw/zinc/20/05/89/398200589.db2.gz SQTYLPSVRYCMJE-RKDXNWHRSA-N 1 0 203.351 2.099 10 0 BEAERO CC1(C)CC[C@@H]([NH3+])CN1Cc1ccccc1 ZINC000258883212 349518786 /nfs/dbraw/zinc/51/87/86/349518786.db2.gz SWLVJRPGACPDIT-CYBMUJFWSA-N 1 0 218.344 2.388 10 0 BEAERO Cc1cc(NC[C@@H](C)[NH+]2CCCCC2)nc(C)n1 ZINC000038029310 178165410 /nfs/dbraw/zinc/16/54/10/178165410.db2.gz LBLPRQAMBXNUEQ-GFCCVEGCSA-N 1 0 248.374 2.380 10 0 BEAERO CCC(CC)CN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111264159 168348217 /nfs/dbraw/zinc/34/82/17/168348217.db2.gz QVZGSHYUTAFPJD-DGCLKSJQSA-N 1 0 240.391 2.127 10 0 BEAERO CCC(CC)CN(CC)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111264161 168348873 /nfs/dbraw/zinc/34/88/73/168348873.db2.gz QVZGSHYUTAFPJD-YPMHNXCESA-N 1 0 240.391 2.127 10 0 BEAERO Cc1cc(O[C@@H](C)C[NH3+])ccc1Br ZINC000011946869 178213761 /nfs/dbraw/zinc/21/37/61/178213761.db2.gz VRGYUOIUXWDCRV-QMMMGPOBSA-N 1 0 244.132 2.484 10 0 BEAERO Cc1cc(OCC(N)=[NH2+])ccc1C(C)C ZINC000019515641 178208882 /nfs/dbraw/zinc/20/88/82/178208882.db2.gz SRLYPUQCEYRYCD-UHFFFAOYSA-N 1 0 206.289 2.433 10 0 BEAERO Cc1cc(OC[C@H](O)C[NH2+]C(C)(C)C)cs1 ZINC000033890449 178212640 /nfs/dbraw/zinc/21/26/40/178212640.db2.gz XWIZUVFVHLEVLD-SNVBAGLBSA-N 1 0 243.372 2.184 10 0 BEAERO Cc1cc(Oc2ccccc2C[NH3+])ncn1 ZINC000011849405 178215828 /nfs/dbraw/zinc/21/58/28/178215828.db2.gz UGNRESCCYQGFKV-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)Oc1cc(F)ccc1F ZINC000070819842 361770916 /nfs/dbraw/zinc/77/09/16/361770916.db2.gz CKMAXERMHHPMNV-RNFRBKRXSA-N 1 0 201.216 2.079 10 0 BEAERO Cc1cc(Sc2nccc(=O)[nH]2)ccc1C[NH3+] ZINC000104295813 178219349 /nfs/dbraw/zinc/21/93/49/178219349.db2.gz BSGHJVNKWVCYQE-UHFFFAOYSA-N 1 0 247.323 2.101 10 0 BEAERO Cc1cc([C@@H](C)N2CC[NH2+]CC2)c(C)s1 ZINC000049508945 178221554 /nfs/dbraw/zinc/22/15/54/178221554.db2.gz LTKSVEZLPSTHQS-SNVBAGLBSA-N 1 0 224.373 2.331 10 0 BEAERO Cc1cc([C@@H](C)O)ccc1OCCC[NH+](C)C ZINC000041279160 178234643 /nfs/dbraw/zinc/23/46/43/178234643.db2.gz KRAGMRLUYBKTRJ-GFCCVEGCSA-N 1 0 237.343 2.379 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(C)o1 ZINC000367683831 178228558 /nfs/dbraw/zinc/22/85/58/178228558.db2.gz DTNPNHMQWLRSGQ-JXJLXUTGSA-N 1 0 235.327 2.439 10 0 BEAERO Cc1cc([C@@](C)(O)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000071547969 178242762 /nfs/dbraw/zinc/24/27/62/178242762.db2.gz DNNDDHPNWCHTHX-TZMCWYRMSA-N 1 0 237.318 2.341 10 0 BEAERO Cc1cc([C@H](C)N2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000041027911 178244182 /nfs/dbraw/zinc/24/41/82/178244182.db2.gz CZLQSHWQPNUKPV-JQWIXIFHSA-N 1 0 222.332 2.381 10 0 BEAERO Cc1cc([C@H](C)N2CCC[NH2+]CC2)c(C)o1 ZINC000038087017 178244234 /nfs/dbraw/zinc/24/42/34/178244234.db2.gz JWGNRGYJPQLOCH-NSHDSACASA-N 1 0 222.332 2.253 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)no1 ZINC000336729025 178249778 /nfs/dbraw/zinc/24/97/78/178249778.db2.gz CWYAZLOSGFIYCG-ONGXEEELSA-N 1 0 226.320 2.041 10 0 BEAERO CC(C)=CC(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616569630 538938118 /nfs/dbraw/zinc/93/81/18/538938118.db2.gz JEXLNRPEERWNGQ-OLZOCXBDSA-N 1 0 238.375 2.175 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CCOC2)c(C)s1 ZINC000048622905 178262357 /nfs/dbraw/zinc/26/23/57/178262357.db2.gz PQQDDLBLZRWPDZ-GXSJLCMTSA-N 1 0 211.330 2.401 10 0 BEAERO Cc1cc([C@H](O)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000032014483 178264868 /nfs/dbraw/zinc/26/48/68/178264868.db2.gz VZZBNJDSFIYKOO-YPMHNXCESA-N 1 0 223.291 2.167 10 0 BEAERO Cc1cc([C@H]2C[NH2+]C(C)(C)CO2)c(C)o1 ZINC000036672991 178268178 /nfs/dbraw/zinc/26/81/78/178268178.db2.gz BDXUUEYNMFIACK-LLVKDONJSA-N 1 0 209.289 2.336 10 0 BEAERO Cc1cc([C@](C)(O)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000071547968 178269665 /nfs/dbraw/zinc/26/96/65/178269665.db2.gz DNNDDHPNWCHTHX-OCCSQVGLSA-N 1 0 237.318 2.341 10 0 BEAERO CCC(CC)C[NH2+][C@@H]1CCc2nccn2C1 ZINC000370965099 168363246 /nfs/dbraw/zinc/36/32/46/168363246.db2.gz KFVRVFUCQKZITJ-GFCCVEGCSA-N 1 0 221.348 2.224 10 0 BEAERO Cc1cc2ccccc2nc1N(C)[C@@H]1CC[NH2+]C1 ZINC000071311597 178298342 /nfs/dbraw/zinc/29/83/42/178298342.db2.gz OPTOYUDPXKWHDN-CYBMUJFWSA-N 1 0 241.338 2.341 10 0 BEAERO Cc1cc2ncc(C[NH2+]C3CCCC3)cn2n1 ZINC000070165961 178304019 /nfs/dbraw/zinc/30/40/19/178304019.db2.gz QVVWUBJSXPNHPQ-UHFFFAOYSA-N 1 0 230.315 2.070 10 0 BEAERO Cc1cc2ncn(CCC[NH3+])c2cc1C ZINC000019279505 178306223 /nfs/dbraw/zinc/30/62/23/178306223.db2.gz WZOTVEGHCFSGPC-UHFFFAOYSA-N 1 0 203.289 2.002 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055087549 168367700 /nfs/dbraw/zinc/36/77/00/168367700.db2.gz KRWQGXQOYNSIGH-VXGBXAGGSA-N 1 0 226.364 2.151 10 0 BEAERO C[C@]1(C(=O)NCCC2CCCC2)CCC[NH2+]C1 ZINC000062856072 398251260 /nfs/dbraw/zinc/25/12/60/398251260.db2.gz UCUAMUJDJXWRID-AWEZNQCLSA-N 1 0 238.375 2.073 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055128827 168367786 /nfs/dbraw/zinc/36/77/86/168367786.db2.gz LFKXSNXTLAGKJJ-WCFLWFBJSA-N 1 0 240.391 2.397 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000036789505 168367133 /nfs/dbraw/zinc/36/71/33/168367133.db2.gz DXCPABMNKVSHIZ-PWSUYJOCSA-N 1 0 226.364 2.164 10 0 BEAERO Cc1ccc(-c2c[nH]c(C[C@H](C)[NH3+])n2)s1 ZINC000037476812 178317841 /nfs/dbraw/zinc/31/78/41/178317841.db2.gz KKDIAMXLJXUSCB-ZETCQYMHSA-N 1 0 221.329 2.336 10 0 BEAERO Cc1ccc(-c2cc(C[NH3+])no2)c(C)c1 ZINC000082531644 178320604 /nfs/dbraw/zinc/32/06/04/178320604.db2.gz QKEFVNKYTQWLKN-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO Cc1[nH]c(CC[NH3+])nc1-c1ccc(C)cc1 ZINC000036876314 178334202 /nfs/dbraw/zinc/33/42/02/178334202.db2.gz IAXMCRXUNKPVGL-UHFFFAOYSA-N 1 0 215.300 2.195 10 0 BEAERO Cc1ccc(-c2nc(CSCC[NH3+])no2)cc1 ZINC000037035603 178335453 /nfs/dbraw/zinc/33/54/53/178335453.db2.gz UUAQJWNOEXVHMM-UHFFFAOYSA-N 1 0 249.339 2.237 10 0 BEAERO Cc1ccc(-c2nccc(C[C@@H](C)[NH3+])n2)cc1 ZINC000054834259 178338047 /nfs/dbraw/zinc/33/80/47/178338047.db2.gz UWOBPTRKNDSTGB-LLVKDONJSA-N 1 0 227.311 2.342 10 0 BEAERO Cc1ccc(-c2nccc(C[NH3+])n2)cc1F ZINC000054791079 178338435 /nfs/dbraw/zinc/33/84/35/178338435.db2.gz BXQCKLRVCYNKEJ-UHFFFAOYSA-N 1 0 217.247 2.050 10 0 BEAERO Cc1ccc(-c2nnc(CC[NH3+])s2)cc1C ZINC000057522542 178341429 /nfs/dbraw/zinc/34/14/29/178341429.db2.gz WBWQDQAYQYHYNP-UHFFFAOYSA-N 1 0 233.340 2.323 10 0 BEAERO C[C@@H]1CCC[C@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000383871827 398258842 /nfs/dbraw/zinc/25/88/42/398258842.db2.gz HXNNPKXASTWRBZ-MNOVXSKESA-N 1 0 236.363 2.298 10 0 BEAERO Cc1ccc(-n2cc(CC[NH3+])cn2)cc1Cl ZINC000071546866 178346077 /nfs/dbraw/zinc/34/60/77/178346077.db2.gz JOGHHYYPMFZGSB-UHFFFAOYSA-N 1 0 235.718 2.335 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000177101004 538951193 /nfs/dbraw/zinc/95/11/93/538951193.db2.gz ASXDNJZSWFIAJO-GFCCVEGCSA-N 1 0 207.321 2.004 10 0 BEAERO C[C@@H]1Cc2ncn(C[C@@H]3CCC[N@@H+]3C)c2C[C@@H]1C ZINC000386808674 398266301 /nfs/dbraw/zinc/26/63/01/398266301.db2.gz DDDWXXUPXSWYMI-AGIUHOORSA-N 1 0 247.386 2.348 10 0 BEAERO CCC(CC)[N@H+](CCOC)C[C@H](N)C(C)(C)C ZINC000042616075 168373748 /nfs/dbraw/zinc/37/37/48/168373748.db2.gz HCHZCUZTRIBRTR-ZDUSSCGKSA-N 1 0 244.423 2.497 10 0 BEAERO Cc1ccc(C(=O)C2([NH3+])CCCC2)cc1 ZINC000011630597 178371936 /nfs/dbraw/zinc/37/19/36/178371936.db2.gz YNMAMVREIKPSRJ-UHFFFAOYSA-N 1 0 203.285 2.449 10 0 BEAERO Cc1ccc(C(=O)C[NH2+]C(C)C)c(C)c1 ZINC000041612571 178373154 /nfs/dbraw/zinc/37/31/54/178373154.db2.gz INYBILBKABWLGL-UHFFFAOYSA-N 1 0 205.301 2.484 10 0 BEAERO C[C@H]1C[C@@H](C(=O)NCC[NH+](C)C)CC(C)(C)C1 ZINC000162145712 349575827 /nfs/dbraw/zinc/57/58/27/349575827.db2.gz YLOIIPFEJBNPJU-NWDGAFQWSA-N 1 0 240.391 2.127 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2cnnc3ccccc32)C1 ZINC000616612763 349578578 /nfs/dbraw/zinc/57/85/78/349578578.db2.gz IIKDIWIUYOPWTL-LLVKDONJSA-N 1 0 227.311 2.439 10 0 BEAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]1CO ZINC000378799574 346837145 /nfs/dbraw/zinc/83/71/45/346837145.db2.gz SQZXUGOIJIJZFZ-CMPLNLGQSA-N 1 0 225.719 2.119 10 0 BEAERO CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000378805465 346838345 /nfs/dbraw/zinc/83/83/45/346838345.db2.gz WRXFZCULNRXCFY-FVCCEPFGSA-N 1 0 213.365 2.418 10 0 BEAERO CCC(CC)[N@@H+](CCOC)[C@H](CN)[C@@H](C)CC ZINC000042614956 168376445 /nfs/dbraw/zinc/37/64/45/168376445.db2.gz XRYLSMVXJGJONX-GXTWGEPZSA-N 1 0 244.423 2.497 10 0 BEAERO C[NH2+][C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381769523 398271714 /nfs/dbraw/zinc/27/17/14/398271714.db2.gz YEWGKMSTPHZLEB-GHMZBOCLSA-N 1 0 232.318 2.106 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2ccc3ccncc3c2)C1 ZINC000616612985 349593708 /nfs/dbraw/zinc/59/37/08/349593708.db2.gz FXPSSAVAPBJCDL-AWEZNQCLSA-N 1 0 242.322 2.016 10 0 BEAERO CC[N@@H+]1Cc2cc(N)ccc2C(C)(C)C1 ZINC000143848276 342670702 /nfs/dbraw/zinc/67/07/02/342670702.db2.gz MWEIZPPESSGUHL-UHFFFAOYSA-N 1 0 204.317 2.382 10 0 BEAERO CC(C)(C)CCNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000083379059 398278198 /nfs/dbraw/zinc/27/81/98/398278198.db2.gz APPXDISPSMJVDQ-UHFFFAOYSA-N 1 0 248.370 2.240 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000037165964 538961622 /nfs/dbraw/zinc/96/16/22/538961622.db2.gz OBOMKWPWORRUKY-NWDGAFQWSA-N 1 0 209.333 2.068 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccnc1 ZINC000037165872 538961805 /nfs/dbraw/zinc/96/18/05/538961805.db2.gz FMSCPHGAKLLGHZ-DRZSPHRISA-N 1 0 220.316 2.036 10 0 BEAERO CCC(CC)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019427777 168382590 /nfs/dbraw/zinc/38/25/90/168382590.db2.gz OCNIQQYWRGVVRN-DRZSPHRISA-N 1 0 238.375 2.212 10 0 BEAERO Nc1[nH+]c(N2CCCC2)cc2ccccc21 ZINC000003603117 342734997 /nfs/dbraw/zinc/73/49/97/342734997.db2.gz XAOOYSYTTGMKJX-UHFFFAOYSA-N 1 0 213.284 2.417 10 0 BEAERO C[N@@H+]1CC[C@H]2C[C@@H]1Cc1ccc(O)cc12 ZINC000003617060 342735090 /nfs/dbraw/zinc/73/50/90/342735090.db2.gz JANBJBABWKFLQT-QWRGUYRKSA-N 1 0 203.285 2.126 10 0 BEAERO COc1cccc2c1C[C@H]([NH+](C)C)CC2 ZINC000003800016 342737601 /nfs/dbraw/zinc/73/76/01/342737601.db2.gz VKACGGQZJQUCMN-LLVKDONJSA-N 1 0 205.301 2.114 10 0 BEAERO Fc1cccc(CO[C@H]2CCC[NH2+]C2)c1F ZINC000035781811 342758798 /nfs/dbraw/zinc/75/87/98/342758798.db2.gz XXHDEGGOQOIALX-JTQLQIEISA-N 1 0 227.254 2.233 10 0 BEAERO Cc1nc(C)c(COC[C@@H]2CCCC[NH2+]2)s1 ZINC000585144346 398284053 /nfs/dbraw/zinc/28/40/53/398284053.db2.gz LWJFACJKUNDORS-NSHDSACASA-N 1 0 240.372 2.419 10 0 BEAERO COc1ccc2c(c1OC)CC[C@H]([NH+](C)C)C2 ZINC000005689280 342768429 /nfs/dbraw/zinc/76/84/29/342768429.db2.gz RQWDWCITECNVBB-NSHDSACASA-N 1 0 235.327 2.123 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccccc1F ZINC000054685622 398282358 /nfs/dbraw/zinc/28/23/58/398282358.db2.gz PTSPOEKBGCZRTF-CABCVRRESA-N 1 0 245.297 2.429 10 0 BEAERO [NH3+][C@H](CCC(F)(F)F)c1cccnc1 ZINC000070917651 361884625 /nfs/dbraw/zinc/88/46/25/361884625.db2.gz KFRLVSGLEPKNEB-MRVPVSSYSA-N 1 0 204.195 2.424 10 0 BEAERO CCC(CC)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000020037365 168389356 /nfs/dbraw/zinc/38/93/56/168389356.db2.gz HSIPAKDNTHNHGQ-UHFFFAOYSA-N 1 0 238.306 2.203 10 0 BEAERO CC(C)(C)[NH2+]C[C@H](O)C(Cl)(Cl)Cl ZINC000149361302 342793198 /nfs/dbraw/zinc/79/31/98/342793198.db2.gz OJNXQFKKSYASOY-YFKPBYRVSA-N 1 0 234.554 2.106 10 0 BEAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@H]1CO ZINC000309709194 342794803 /nfs/dbraw/zinc/79/48/03/342794803.db2.gz WMZCAGWRRMGAMG-WANXEPPHSA-N 1 0 217.312 2.060 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000040671991 538972793 /nfs/dbraw/zinc/97/27/93/538972793.db2.gz UGZQQQIZBXQTIT-JSGCOSHPSA-N 1 0 248.370 2.440 10 0 BEAERO C[N@H+](C[C@H]1Cc2ccccc21)CC(C)(C)O ZINC000086274426 398291588 /nfs/dbraw/zinc/29/15/88/398291588.db2.gz ADPWPWCIHVVAPX-GFCCVEGCSA-N 1 0 219.328 2.029 10 0 BEAERO Cc1cc[nH+]c(NCC[C@@H]2CCCO2)c1 ZINC000043561565 538982104 /nfs/dbraw/zinc/98/21/04/538982104.db2.gz IJFPKFBBWXOVDT-NSHDSACASA-N 1 0 206.289 2.371 10 0 BEAERO CCC(CC)[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000381584856 539004333 /nfs/dbraw/zinc/00/43/33/539004333.db2.gz HAYVVHGVGOCPIR-MFKMUULPSA-N 1 0 226.364 2.022 10 0 BEAERO CCC(CC)[C@@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000104441987 168399702 /nfs/dbraw/zinc/39/97/02/168399702.db2.gz IUZWAONOIMVWFN-TZMCWYRMSA-N 1 0 245.407 2.434 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000381778253 539006916 /nfs/dbraw/zinc/00/69/16/539006916.db2.gz XKLAYXKOVBBCQH-GMXVVIOVSA-N 1 0 222.332 2.270 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000053130669 539012537 /nfs/dbraw/zinc/01/25/37/539012537.db2.gz AJJUHFIHXUQHMV-AWEZNQCLSA-N 1 0 212.296 2.194 10 0 BEAERO CCC(CC)[C@@H](C)n1nnnc1C[NH2+]C(C)C ZINC000104419563 168399817 /nfs/dbraw/zinc/39/98/17/168399817.db2.gz AXZYPUBXWYYOPL-SNVBAGLBSA-N 1 0 239.367 2.168 10 0 BEAERO Cc1cc([C@@H]2C[C@H]([NH3+])CCN2C)ccc1F ZINC000211555417 539022685 /nfs/dbraw/zinc/02/26/85/539022685.db2.gz LERJWVPZCZSJGP-YPMHNXCESA-N 1 0 222.307 2.228 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000390549774 539026203 /nfs/dbraw/zinc/02/62/03/539026203.db2.gz OHJQRNJWXOMJKC-ZDEQEGDKSA-N 1 0 224.392 2.351 10 0 BEAERO CC[C@@](C)(OC)[C@@H]1[NH2+]CCc2occc21 ZINC000709945853 539027799 /nfs/dbraw/zinc/02/77/99/539027799.db2.gz WWXKPCBQSXIIAK-VXGBXAGGSA-N 1 0 209.289 2.282 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1OC(=O)N1CCCCCC1 ZINC000136511881 259324806 /nfs/dbraw/zinc/32/48/06/259324806.db2.gz DWVCFGQPMZDWMS-NEPJUHHUSA-N 1 0 240.347 2.269 10 0 BEAERO Cc1ccc([C@H](O)[C@H](C)[NH3+])cc1Br ZINC000164894208 342853890 /nfs/dbraw/zinc/85/38/90/342853890.db2.gz UCGWIPMXQRUODB-OIBJUYFYSA-N 1 0 244.132 2.138 10 0 BEAERO [NH3+][C@@H]1CC[C@@](O)(c2sccc2Cl)C1 ZINC000229924898 342855670 /nfs/dbraw/zinc/85/56/70/342855670.db2.gz RTJHAPUUHGYONV-MUWHJKNJSA-N 1 0 217.721 2.100 10 0 BEAERO [NH3+][C@H]1COc2cc(C(F)(F)F)c(F)cc2C1 ZINC000521399753 398304609 /nfs/dbraw/zinc/30/46/09/398304609.db2.gz BVAVRLXIKIFQOO-ZCFIWIBFSA-N 1 0 235.180 2.107 10 0 BEAERO CSCCNC1=[NH+][C@H](C)C[C@@H](C)S1 ZINC000165018073 342868670 /nfs/dbraw/zinc/86/86/70/342868670.db2.gz GRMKZZGYFWJBHK-HTQZYQBOSA-N 1 0 218.391 2.209 10 0 BEAERO [NH3+][C@@H]1CSC[C@H]1Cc1cccc(F)c1 ZINC000134571055 342868818 /nfs/dbraw/zinc/86/88/18/342868818.db2.gz NQFLVOBDHONENH-MWLCHTKSSA-N 1 0 211.305 2.059 10 0 BEAERO CCCC1(CNC(=O)C[C@H]([NH3+])C(C)C)CCC1 ZINC000392122694 398311443 /nfs/dbraw/zinc/31/14/43/398311443.db2.gz XMOAVCFNFRDIGT-LBPRGKRZSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)(C[NH2+]C1COC1)c1cccs1 ZINC000087619459 259327305 /nfs/dbraw/zinc/32/73/05/259327305.db2.gz LYUMCIGGXKUDCG-UHFFFAOYSA-N 1 0 211.330 2.014 10 0 BEAERO C[C@H]1CN(c2sccc2Cl)CC[NH2+]1 ZINC000229947129 342858366 /nfs/dbraw/zinc/85/83/66/342858366.db2.gz MXOIZTWJCXYSIX-ZETCQYMHSA-N 1 0 216.737 2.200 10 0 BEAERO CCC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCOCC1 ZINC000335646761 136243776 /nfs/dbraw/zinc/24/37/76/136243776.db2.gz SWFNZIWLMOUPQP-BETUJISGSA-N 1 0 239.359 2.056 10 0 BEAERO CCOc1cc2c(cc1[C@@H]1C[C@@H]1[NH3+])O[C@@H](C)C2 ZINC000101345400 398318497 /nfs/dbraw/zinc/31/84/97/398318497.db2.gz WSQZNUSPGAJJGI-PEXQALLHSA-N 1 0 233.311 2.223 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1C[C@@H]1C ZINC000167328490 136245587 /nfs/dbraw/zinc/24/55/87/136245587.db2.gz XYKPICKWLJSEJJ-IGQOVBAYSA-N 1 0 222.376 2.201 10 0 BEAERO C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000138510076 342899611 /nfs/dbraw/zinc/89/96/11/342899611.db2.gz PAIMQUPBQHYDIV-UHFFFAOYSA-N 1 0 217.312 2.476 10 0 BEAERO CCS[C@@H]1CCC[C@H]1[NH+]1CCC(=O)CC1 ZINC000233820529 342887041 /nfs/dbraw/zinc/88/70/41/342887041.db2.gz UEDMDHHFDWIXRS-VXGBXAGGSA-N 1 0 227.373 2.326 10 0 BEAERO CCCC1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000232899729 342887146 /nfs/dbraw/zinc/88/71/46/342887146.db2.gz XTGSKHVJABQQBC-LBPRGKRZSA-N 1 0 238.375 2.073 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000167287780 136245084 /nfs/dbraw/zinc/24/50/84/136245084.db2.gz ZFAHJWKTXXWQGU-QGVKSAJWSA-N 1 0 237.265 2.220 10 0 BEAERO CCC[NH2+][C@@H](C)c1cn(C(C)(C)C)nn1 ZINC000309117261 342893547 /nfs/dbraw/zinc/89/35/47/342893547.db2.gz RLMXHHXJVINQQG-VIFPVBQESA-N 1 0 210.325 2.094 10 0 BEAERO CCOC(=O)c1ccccc1[C@@H]1CCC[NH2+]1 ZINC000309168551 342900329 /nfs/dbraw/zinc/90/03/29/342900329.db2.gz JBAGHMVOPQCXNP-LBPRGKRZSA-N 1 0 219.284 2.288 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1Nc1nc(Cl)cs1 ZINC000165299626 342900543 /nfs/dbraw/zinc/90/05/43/342900543.db2.gz DEKBOZAPNDLRJE-PHDIDXHHSA-N 1 0 217.725 2.088 10 0 BEAERO [NH3+]CC1(Nc2nc(Cl)cs2)CCCC1 ZINC000165308614 342903856 /nfs/dbraw/zinc/90/38/56/342903856.db2.gz WNICJMLGZPEGCL-UHFFFAOYSA-N 1 0 231.752 2.480 10 0 BEAERO C[C@@](C[NH3+])(Nc1nc(Cl)cs1)C1CC1 ZINC000165341317 342915298 /nfs/dbraw/zinc/91/52/98/342915298.db2.gz SSQVIUAOUVIHOE-VIFPVBQESA-N 1 0 231.752 2.336 10 0 BEAERO CCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105806000 398325381 /nfs/dbraw/zinc/32/53/81/398325381.db2.gz YPHWEBQIOXVUCI-UHFFFAOYSA-N 1 0 234.347 2.153 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000037491174 398329004 /nfs/dbraw/zinc/32/90/04/398329004.db2.gz GSBJMSNAVFJQTI-RTXFEEFZSA-N 1 0 220.316 2.036 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000162351775 349653161 /nfs/dbraw/zinc/65/31/61/349653161.db2.gz QLVZRKKPHBFAPF-PWSUYJOCSA-N 1 0 236.363 2.275 10 0 BEAERO C[C@H]1CN(c2ccccc2C=O)C[C@H](C)[NH+]1C ZINC000116974420 342940216 /nfs/dbraw/zinc/94/02/16/342940216.db2.gz CUDTXLRAKIIRLG-RYUDHWBXSA-N 1 0 232.327 2.028 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000037607855 398332447 /nfs/dbraw/zinc/33/24/47/398332447.db2.gz YHCPRDLZIHXWFE-GHMZBOCLSA-N 1 0 234.343 2.164 10 0 BEAERO CCCN(CC1CC1)C(=O)C1CCC([NH3+])CC1 ZINC000037626470 398333307 /nfs/dbraw/zinc/33/33/07/398333307.db2.gz YKTBKIYZMIIROL-UHFFFAOYSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[C@H](C)[NH3+])c(C)c1 ZINC000037765429 398334240 /nfs/dbraw/zinc/33/42/40/398334240.db2.gz DZZBASLBPPCLLY-RYUDHWBXSA-N 1 0 234.343 2.218 10 0 BEAERO c1cncc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916368 398335173 /nfs/dbraw/zinc/33/51/73/398335173.db2.gz VETUIURHQDMZIE-GJZGRUSLSA-N 1 0 245.370 2.046 10 0 BEAERO Fc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000037988605 398335490 /nfs/dbraw/zinc/33/54/90/398335490.db2.gz PVWJVGQFUIGCJW-CYBMUJFWSA-N 1 0 223.291 2.484 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000037988760 398335573 /nfs/dbraw/zinc/33/55/73/398335573.db2.gz GPDLFKCHOHJOAD-NSHDSACASA-N 1 0 209.289 2.247 10 0 BEAERO c1snnc1C[NH2+]CCC1CCCC1 ZINC000037739697 342946874 /nfs/dbraw/zinc/94/68/74/342946874.db2.gz WXQIUASBRNXMGH-UHFFFAOYSA-N 1 0 211.334 2.208 10 0 BEAERO CC1(C)SC(=O)N(c2ccccc2)[C@@H]1[NH3+] ZINC000026479086 192055992 /nfs/dbraw/zinc/05/59/92/192055992.db2.gz QHMVSMICSGVUDA-VIFPVBQESA-N 1 0 222.313 2.423 10 0 BEAERO CC[C@@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061868470 398344483 /nfs/dbraw/zinc/34/44/83/398344483.db2.gz XSELMCBJJUQPIG-SECBINFHSA-N 1 0 213.252 2.253 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=O)c1C ZINC000019514874 342950391 /nfs/dbraw/zinc/95/03/91/342950391.db2.gz BPXZUWKZDAPQMP-CQSZACIVSA-N 1 0 234.343 2.402 10 0 BEAERO [NH3+][C@@H]1CCCc2cccc(C(F)(F)F)c2[C@@H]1O ZINC000019795544 342958168 /nfs/dbraw/zinc/95/81/68/342958168.db2.gz RGCPZIGGAZRYCZ-MWLCHTKSSA-N 1 0 245.244 2.402 10 0 BEAERO CC(C)CN1C[C@@H]([NH3+])c2cc(F)ccc21 ZINC000019795818 342958225 /nfs/dbraw/zinc/95/82/25/342958225.db2.gz BOJBTFAOPRSYFI-LLVKDONJSA-N 1 0 208.280 2.302 10 0 BEAERO [NH3+][C@H]1CCCc2ccc(Cl)cc2[C@@H]1O ZINC000019795571 342958233 /nfs/dbraw/zinc/95/82/33/342958233.db2.gz PGZGJVAXNJLLBI-QWRGUYRKSA-N 1 0 211.692 2.037 10 0 BEAERO CCC[C@@H]([NH2+]CCn1cncn1)C1CCCC1 ZINC000313415790 259335124 /nfs/dbraw/zinc/33/51/24/259335124.db2.gz KPPDERXNMMZVDH-CYBMUJFWSA-N 1 0 236.363 2.227 10 0 BEAERO COc1ccc2c(c1)[C@@H](CCC[NH3+])CC2 ZINC000036404989 342992319 /nfs/dbraw/zinc/99/23/19/342992319.db2.gz LNDQKZFRUXQGLH-JTQLQIEISA-N 1 0 205.301 2.464 10 0 BEAERO [NH3+][C@H](CF)c1ccc(OC(F)F)cc1 ZINC000020285866 342980497 /nfs/dbraw/zinc/98/04/97/342980497.db2.gz OMESPTLWAHBLEZ-MRVPVSSYSA-N 1 0 205.179 2.257 10 0 BEAERO Cc1nc(CCc2ccccc2)n2c1C[NH2+]CC2 ZINC000020444060 342985815 /nfs/dbraw/zinc/98/58/15/342985815.db2.gz OSNRCGFYYYVVTQ-UHFFFAOYSA-N 1 0 241.338 2.080 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nccc2occc21 ZINC000235153885 342988185 /nfs/dbraw/zinc/98/81/85/342988185.db2.gz CGTRKLHRDBBOGK-RKDXNWHRSA-N 1 0 219.288 2.366 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000042579469 343000421 /nfs/dbraw/zinc/00/04/21/343000421.db2.gz UOTSBMJNWFOBOV-NEPJUHHUSA-N 1 0 240.391 2.460 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000211764298 343001366 /nfs/dbraw/zinc/00/13/66/343001366.db2.gz BMXWIVNQSLNMKD-AAEUAGOBSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)[N@H+](C)C[C@@H]1Cc2ccccc2C1=O ZINC000036449016 343002720 /nfs/dbraw/zinc/00/27/20/343002720.db2.gz DQJMGIINAURTMG-LBPRGKRZSA-N 1 0 217.312 2.382 10 0 BEAERO [NH3+][C@@]12CCCC[C@@H]1COc1ccccc12 ZINC000011686112 343015413 /nfs/dbraw/zinc/01/54/13/343015413.db2.gz ASLGWVDYLHTOPR-MFKMUULPSA-N 1 0 203.285 2.423 10 0 BEAERO C[C@@H](C[NH3+])N[C@H](c1ccco1)c1ccccc1 ZINC000235147139 259342328 /nfs/dbraw/zinc/34/23/28/259342328.db2.gz PDMZQKZCIVRROH-FZMZJTMJSA-N 1 0 230.311 2.306 10 0 BEAERO CC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000400697997 529651255 /nfs/dbraw/zinc/65/12/55/529651255.db2.gz JNOGJQOYNDEYKS-AXFHLTTASA-N 1 0 239.388 2.182 10 0 BEAERO CC(C)=CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123306256 187225863 /nfs/dbraw/zinc/22/58/63/187225863.db2.gz DJBZASGWBJEDBN-STQMWFEESA-N 1 0 210.365 2.367 10 0 BEAERO [NH3+]C[C@H](OCc1ccccc1)c1ccncc1 ZINC000043355065 343055877 /nfs/dbraw/zinc/05/58/77/343055877.db2.gz YUYVNEYWUCFKDG-AWEZNQCLSA-N 1 0 228.295 2.298 10 0 BEAERO Fc1ccc(F)c(COC2CC[NH2+]CC2)c1 ZINC000043458956 343073530 /nfs/dbraw/zinc/07/35/30/343073530.db2.gz VLBQCKSQXRVQLE-UHFFFAOYSA-N 1 0 227.254 2.233 10 0 BEAERO CCSc1nc2c(cc1C[NH3+])CCC2 ZINC000043406100 343065107 /nfs/dbraw/zinc/06/51/07/343065107.db2.gz NLMGNDFWZXNERK-UHFFFAOYSA-N 1 0 208.330 2.141 10 0 BEAERO CC(=O)Oc1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000072201867 343068510 /nfs/dbraw/zinc/06/85/10/343068510.db2.gz QBTBBWUWMJNSBS-LBPRGKRZSA-N 1 0 205.257 2.036 10 0 BEAERO [NH3+][C@H](CO)c1ccccc1SC(F)(F)F ZINC000072198814 343068761 /nfs/dbraw/zinc/06/87/61/343068761.db2.gz CSUVSDMPCFWKOV-SSDOTTSWSA-N 1 0 237.246 2.291 10 0 BEAERO N[C@@H](C[NH3+])c1ccccc1SC(F)(F)F ZINC000072201340 343069690 /nfs/dbraw/zinc/06/96/90/343069690.db2.gz ZENJBZAFZFWBKJ-ZETCQYMHSA-N 1 0 236.262 2.257 10 0 BEAERO CCSc1nccc(C(N)=[NH2+])c1Cl ZINC000233825366 343070172 /nfs/dbraw/zinc/07/01/72/343070172.db2.gz IASJLRUWJQCNAM-UHFFFAOYSA-N 1 0 215.709 2.131 10 0 BEAERO C[C@@H](c1c(F)cccc1Cl)N1CC[NH2+]CC1 ZINC000309297517 343070223 /nfs/dbraw/zinc/07/02/23/343070223.db2.gz LLPCIFKZRXKMHG-VIFPVBQESA-N 1 0 242.725 2.445 10 0 BEAERO NC(=[NH2+])C1(c2nccc3ccccc32)CC1 ZINC000584880504 343081075 /nfs/dbraw/zinc/08/10/75/343081075.db2.gz BTRDJCVWODJGFA-UHFFFAOYSA-N 1 0 211.268 2.202 10 0 BEAERO Cc1ccc2[nH+]cc(N)c(N)c2c1Cl ZINC000584882194 343084203 /nfs/dbraw/zinc/08/42/03/343084203.db2.gz SYFWPGLAPXLRCB-UHFFFAOYSA-N 1 0 207.664 2.191 10 0 BEAERO CCc1ccc(CC)c2c(NC)c(N)c[nH+]c12 ZINC000584882309 343084593 /nfs/dbraw/zinc/08/45/93/343084593.db2.gz BCZHFGZMHXCONR-UHFFFAOYSA-N 1 0 229.327 2.405 10 0 BEAERO CCNc1c(N)c[nH+]c2c(C)cc(F)cc12 ZINC000584882500 343084689 /nfs/dbraw/zinc/08/46/89/343084689.db2.gz IMJZKZAWSJMIFY-UHFFFAOYSA-N 1 0 219.263 2.118 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+][C@H](C(C)(C)C)C1 ZINC000584882964 343085613 /nfs/dbraw/zinc/08/56/13/343085613.db2.gz CBGRHXKJNFCPLV-ZJUUUORDSA-N 1 0 242.363 2.288 10 0 BEAERO CCOC(=O)C[C@H](C[NH3+])C1CCCCCC1 ZINC000584883400 343086207 /nfs/dbraw/zinc/08/62/07/343086207.db2.gz XORMNHKVPGFSQK-GFCCVEGCSA-N 1 0 227.348 2.485 10 0 BEAERO C[C@@H]1Cc2ccsc2C2(CCN(C)CC2)[NH2+]1 ZINC000584883873 343086799 /nfs/dbraw/zinc/08/67/99/343086799.db2.gz TYGRBWIKAGRAJY-SNVBAGLBSA-N 1 0 236.384 2.203 10 0 BEAERO CO[C@@H]1Cc2ccccc2C2(CC[NH+](C)CC2)O1 ZINC000013472036 343089532 /nfs/dbraw/zinc/08/95/32/343089532.db2.gz BMBFJAYAIYTGJO-AWEZNQCLSA-N 1 0 247.338 2.153 10 0 BEAERO [NH3+][C@H]1CC[C@H](Oc2nc(Cl)cs2)C1 ZINC000165390379 343075668 /nfs/dbraw/zinc/07/56/68/343075668.db2.gz YGIMJWCIRZVUMX-WDSKDSINSA-N 1 0 218.709 2.055 10 0 BEAERO CCC1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400378261 343078571 /nfs/dbraw/zinc/07/85/71/343078571.db2.gz GGUUZVUHDQBVTG-UHFFFAOYSA-N 1 0 219.332 2.351 10 0 BEAERO Cc1ccc([C@H](O)C[NH+]2CCCC2)cc1C ZINC000043501819 343097996 /nfs/dbraw/zinc/09/79/96/343097996.db2.gz UVSNGIMRMNUMNO-CQSZACIVSA-N 1 0 219.328 2.433 10 0 BEAERO CCOC(CC[C@H]1CCC[N@@H+]1C)OCC ZINC000043503212 343099291 /nfs/dbraw/zinc/09/92/91/343099291.db2.gz PETDGVBCXWGWBF-LLVKDONJSA-N 1 0 215.337 2.260 10 0 BEAERO CCN1CCC[C@@H]1C[N@H+](C)C1CCCC1 ZINC000120110044 343108920 /nfs/dbraw/zinc/10/89/20/343108920.db2.gz WKNQSPGRUVWSTB-CYBMUJFWSA-N 1 0 210.365 2.345 10 0 BEAERO CC[N@H+](Cc1ccccc1)[C@@H](C)C(N)=S ZINC000043513971 343115712 /nfs/dbraw/zinc/11/57/12/343115712.db2.gz CCYUOTBOOTXYAC-JTQLQIEISA-N 1 0 222.357 2.183 10 0 BEAERO CC1(C)C[C@H](CO)C[N@@H+]1Cc1ccccc1 ZINC000259478556 343130034 /nfs/dbraw/zinc/13/00/34/343130034.db2.gz RFTGBAOGTLSXQW-ZDUSSCGKSA-N 1 0 219.328 2.279 10 0 BEAERO Nc1c2ccc(F)cc2[nH+]c2c1[C@@H](O)CCC2 ZINC000014946467 343135659 /nfs/dbraw/zinc/13/56/59/343135659.db2.gz GHPCZOLZFWUXCH-NSHDSACASA-N 1 0 232.258 2.326 10 0 BEAERO Fc1cccc2c1cccc2N1CC[NH2+]CC1 ZINC000165173102 343138372 /nfs/dbraw/zinc/13/83/72/343138372.db2.gz WSPOIICUICIYNN-UHFFFAOYSA-N 1 0 230.286 2.389 10 0 BEAERO O=C(CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000034062253 343142017 /nfs/dbraw/zinc/14/20/17/343142017.db2.gz VMOZKKBKJPKIRH-UHFFFAOYSA-N 1 0 221.275 2.398 10 0 BEAERO C[C@H](CCC1CC1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000398063449 488206341 /nfs/dbraw/zinc/20/63/41/488206341.db2.gz DAUYRSZPVYTTNH-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO COc1ccc2c(c1)O[C@@H](C1CC1)C[C@@H]2[NH3+] ZINC000130805936 343182308 /nfs/dbraw/zinc/18/23/08/343182308.db2.gz LIAKNAIBMWJCBB-NWDGAFQWSA-N 1 0 219.284 2.256 10 0 BEAERO CCCOc1ccc(CN2CCC[C@H]2C[NH3+])cc1 ZINC000131384792 343183838 /nfs/dbraw/zinc/18/38/38/343183838.db2.gz VDAQOQAWXANPQA-AWEZNQCLSA-N 1 0 248.370 2.399 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000122118010 343158175 /nfs/dbraw/zinc/15/81/75/343158175.db2.gz XXHPHVYFYKGZCC-UTUOFQBUSA-N 1 0 226.364 2.055 10 0 BEAERO COC[C@H](C)C[NH2+]CCCC(F)(F)F ZINC000123597150 343158758 /nfs/dbraw/zinc/15/87/58/343158758.db2.gz YGCCBSXFYJTCOA-MRVPVSSYSA-N 1 0 213.243 2.201 10 0 BEAERO CC(C)Cc1ncc(C[NH2+]CC[C@H](C)O)s1 ZINC000125060389 343165438 /nfs/dbraw/zinc/16/54/38/343165438.db2.gz KKVQVLYQHAMVJR-JTQLQIEISA-N 1 0 242.388 2.202 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000126046820 343168299 /nfs/dbraw/zinc/16/82/99/343168299.db2.gz XXHPHVYFYKGZCC-QJPTWQEYSA-N 1 0 226.364 2.055 10 0 BEAERO CCCC(C)(C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000126155872 343169001 /nfs/dbraw/zinc/16/90/01/343169001.db2.gz BYMYXWKAAHOODW-NSHDSACASA-N 1 0 226.364 2.071 10 0 BEAERO C[C@@H]1CC([NH2+][C@@H]2CCCSC2)C[C@@H](C)O1 ZINC000126909783 343171275 /nfs/dbraw/zinc/17/12/75/343171275.db2.gz KTMOTSZBSULTAM-GMTAPVOTSA-N 1 0 229.389 2.428 10 0 BEAERO C[C@H](Nc1cc(N)cc[nH+]1)c1ccncc1 ZINC000043568903 343174398 /nfs/dbraw/zinc/17/43/98/343174398.db2.gz GCQPNRFJKPFDSF-VIFPVBQESA-N 1 0 214.272 2.232 10 0 BEAERO CCSCC[NH2+]CCCCn1ccnc1 ZINC000128929933 343176171 /nfs/dbraw/zinc/17/61/71/343176171.db2.gz HXKPTYCZOHJOGK-UHFFFAOYSA-N 1 0 227.377 2.006 10 0 BEAERO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]C1CCN(C2CC2)CC1 ZINC000035054456 187245512 /nfs/dbraw/zinc/24/55/12/187245512.db2.gz KHCQSSUTBJTGCC-HZSPNIEDSA-N 1 0 246.398 2.415 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](N)c2ccccc2)C1 ZINC000149934557 343196753 /nfs/dbraw/zinc/19/67/53/343196753.db2.gz CUCXWIFNYJIXIR-MBNYWOFBSA-N 1 0 218.344 2.417 10 0 BEAERO Clc1ccc(N2CC[NH2+]CC2)c2ncccc12 ZINC000145212872 343197868 /nfs/dbraw/zinc/19/78/68/343197868.db2.gz OJLJMQCYFKYVCL-UHFFFAOYSA-N 1 0 247.729 2.298 10 0 BEAERO CC(C)(C)c1ccccc1OCC1=[NH+]CCN1 ZINC000005439899 187247646 /nfs/dbraw/zinc/24/76/46/187247646.db2.gz QJYVGAUJEPKKQH-UHFFFAOYSA-N 1 0 232.327 2.365 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ncccc1Cl ZINC000165756986 343212253 /nfs/dbraw/zinc/21/22/53/343212253.db2.gz QJLMCJPXUUIZKY-YUMQZZPRSA-N 1 0 213.712 2.273 10 0 BEAERO CC(C)(C)OC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000197013898 343214657 /nfs/dbraw/zinc/21/46/57/343214657.db2.gz LURXPOJHBKSORO-LBPRGKRZSA-N 1 0 235.327 2.146 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccoc1 ZINC000133146678 343189572 /nfs/dbraw/zinc/18/95/72/343189572.db2.gz RBCADYRCSBUVSZ-JTQLQIEISA-N 1 0 209.289 2.093 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000133133394 343189971 /nfs/dbraw/zinc/18/99/71/343189971.db2.gz IHTAROQYDHGKBA-NEPJUHHUSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)C(C)(C)C ZINC000133226317 343190307 /nfs/dbraw/zinc/19/03/07/343190307.db2.gz HYEUGDOYJMBRLJ-SNVBAGLBSA-N 1 0 234.343 2.310 10 0 BEAERO Cc1cc(F)ccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134531661 343195021 /nfs/dbraw/zinc/19/50/21/343195021.db2.gz MWAJMOWOOUVMRN-ZWNOBZJWSA-N 1 0 223.291 2.401 10 0 BEAERO COc1ccc2c3c1CC[NH2+][C@H]3CCC2 ZINC000238356726 343255588 /nfs/dbraw/zinc/25/55/88/343255588.db2.gz FXRMIZNTLNLRRI-NSHDSACASA-N 1 0 203.285 2.218 10 0 BEAERO CC(C)[C@H]([NH3+])c1nc2cc(F)ccc2[nH]1 ZINC000037439137 187252087 /nfs/dbraw/zinc/25/20/87/187252087.db2.gz QNSUHQZCJSIWOE-JTQLQIEISA-N 1 0 207.252 2.358 10 0 BEAERO Cc1cccc(NC(=O)c2ccc(C[NH3+])cc2)n1 ZINC000019812095 187252430 /nfs/dbraw/zinc/25/24/30/187252430.db2.gz SZLRKZXKZSQQFW-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO C[N@H+](CCO)C[C@H]1CCCc2ccccc21 ZINC000034373637 343269027 /nfs/dbraw/zinc/26/90/27/343269027.db2.gz YMBBBFBKAJRYNL-CYBMUJFWSA-N 1 0 219.328 2.031 10 0 BEAERO CC(C)[C@H]([NH3+])CN1CCc2ccccc2C1 ZINC000019852441 187252948 /nfs/dbraw/zinc/25/29/48/187252948.db2.gz GFWINNOVARKZLO-CQSZACIVSA-N 1 0 218.344 2.028 10 0 BEAERO [NH3+]C[C@H](CC1(F)CC1)c1cnc(C(F)F)nc1 ZINC000217389176 343277573 /nfs/dbraw/zinc/27/75/73/343277573.db2.gz PXTPRAOCNZRIKQ-ZETCQYMHSA-N 1 0 245.248 2.349 10 0 BEAERO CC(C)(C)O[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000020510656 187254132 /nfs/dbraw/zinc/25/41/32/187254132.db2.gz AICDOBDBZSNTAY-VXGBXAGGSA-N 1 0 221.300 2.263 10 0 BEAERO C[C@H]([NH3+])c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000036872271 343325782 /nfs/dbraw/zinc/32/57/82/343325782.db2.gz BZQHDPSKUBNQPA-ZETCQYMHSA-N 1 0 205.236 2.236 10 0 BEAERO CC1(C)Cc2cccc(OCCC[NH3+])c2O1 ZINC000022209686 187254864 /nfs/dbraw/zinc/25/48/64/187254864.db2.gz VGYPCIXTKBPGGQ-UHFFFAOYSA-N 1 0 221.300 2.128 10 0 BEAERO CC(C)(C)c1ccc([C@@](C)([NH3+])CO)cc1 ZINC000038124463 187255037 /nfs/dbraw/zinc/25/50/37/187255037.db2.gz AVFMCUMIUXHRNM-ZDUSSCGKSA-N 1 0 207.317 2.150 10 0 BEAERO CC(C)N(C)[C@H](C[NH3+])c1c(F)cccc1F ZINC000022223566 187255081 /nfs/dbraw/zinc/25/50/81/187255081.db2.gz VNCROAJDUKBXEG-LLVKDONJSA-N 1 0 228.286 2.305 10 0 BEAERO COC(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000035747505 343303475 /nfs/dbraw/zinc/30/34/75/343303475.db2.gz QRAFHBCFBWYWHQ-WDEREUQCSA-N 1 0 221.300 2.289 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C(N)=O ZINC000035792878 343304476 /nfs/dbraw/zinc/30/44/76/343304476.db2.gz COPKRBMZZPNQJM-NKWVEPMBSA-N 1 0 244.697 2.004 10 0 BEAERO CC(C)(C)c1cc(N)n(-c2cc[nH+]cc2)n1 ZINC000035779592 343304582 /nfs/dbraw/zinc/30/45/82/343304582.db2.gz JFKPRGAXIHXMIM-UHFFFAOYSA-N 1 0 216.288 2.147 10 0 BEAERO C[N@@H+]1CCC[C@@H](COc2ccc(N)cc2F)C1 ZINC000020352221 187253863 /nfs/dbraw/zinc/25/38/63/187253863.db2.gz IBILAMKTKFUTNM-SNVBAGLBSA-N 1 0 238.306 2.129 10 0 BEAERO C[C@H]1CO[C@H](c2ccc(Cl)cc2)C[NH2+]1 ZINC000032012615 187256326 /nfs/dbraw/zinc/25/63/26/187256326.db2.gz RONYGQJRABPXEL-KWQFWETISA-N 1 0 211.692 2.389 10 0 BEAERO COC(C[NH2+][C@@H](C)c1ccc(F)c(F)c1)OC ZINC000037566549 343348548 /nfs/dbraw/zinc/34/85/48/343348548.db2.gz VHGQZBMACGVBNL-QMMMGPOBSA-N 1 0 245.269 2.234 10 0 BEAERO CC(C)(C)[C@H]([NH3+])c1nnc2n1CCCCC2 ZINC000035411322 187258305 /nfs/dbraw/zinc/25/83/05/187258305.db2.gz XGTIQTDQPWIZAS-SNVBAGLBSA-N 1 0 222.336 2.050 10 0 BEAERO C[C@H](Nc1cnccn1)c1ccc(C[NH3+])cc1 ZINC000037748077 187260282 /nfs/dbraw/zinc/26/02/82/187260282.db2.gz NKCMAHGQYVFYEO-JTQLQIEISA-N 1 0 228.299 2.108 10 0 BEAERO CC[NH+]1CCC(Oc2cccc(N)c2)CC1 ZINC000039102188 343384400 /nfs/dbraw/zinc/38/44/00/343384400.db2.gz MWCCJRLJIICLGF-UHFFFAOYSA-N 1 0 220.316 2.132 10 0 BEAERO Cc1ccc([C@H](O)C[NH2+]C2CC2)c(C)c1 ZINC000039105386 343384875 /nfs/dbraw/zinc/38/48/75/343384875.db2.gz OSCZPRJKLFCETI-CYBMUJFWSA-N 1 0 205.301 2.089 10 0 BEAERO CCOC(=O)c1ccccc1C1CC[NH2+]CC1 ZINC000148396189 343390985 /nfs/dbraw/zinc/39/09/85/343390985.db2.gz OLJOXWRCQIFFII-UHFFFAOYSA-N 1 0 233.311 2.330 10 0 BEAERO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)C1CC1 ZINC000037889518 187261141 /nfs/dbraw/zinc/26/11/41/187261141.db2.gz BUJGRJCTPVYHTO-OBJOEFQTSA-N 1 0 243.391 2.187 10 0 BEAERO CC(C)C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037807239 187261227 /nfs/dbraw/zinc/26/12/27/187261227.db2.gz XDPDTVLNRHYQFG-NEPJUHHUSA-N 1 0 226.364 2.022 10 0 BEAERO C1CC1N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000073653243 187260523 /nfs/dbraw/zinc/26/05/23/187260523.db2.gz AUYLVUIXWVUQSW-CYBMUJFWSA-N 1 0 208.349 2.099 10 0 BEAERO CCOc1ccc(C[NH2+]CCCO)cc1Cl ZINC000040743690 343408807 /nfs/dbraw/zinc/40/88/07/343408807.db2.gz SBGOAQQPYKQHSJ-UHFFFAOYSA-N 1 0 243.734 2.211 10 0 BEAERO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccccc1Cl ZINC000040925494 343411096 /nfs/dbraw/zinc/41/10/96/343411096.db2.gz NSCUEJNUBNOCPD-QMMMGPOBSA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)[C@H]([NH3+])COc1ccc(F)c(F)c1 ZINC000041228129 343417168 /nfs/dbraw/zinc/41/71/68/343417168.db2.gz NHYPNRASDWDXTA-LLVKDONJSA-N 1 0 215.243 2.327 10 0 BEAERO CCC(CC)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177741800 346938422 /nfs/dbraw/zinc/93/84/22/346938422.db2.gz ADMNQHTZPZZPEY-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO Fc1cccc2c1[C@H]([NH2+][C@@H]1CCSC1)CO2 ZINC000374685641 136356769 /nfs/dbraw/zinc/35/67/69/136356769.db2.gz ZFGPJFQIAVANGF-PSASIEDQSA-N 1 0 239.315 2.354 10 0 BEAERO [NH3+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000044232229 343495979 /nfs/dbraw/zinc/49/59/79/343495979.db2.gz GDDRJIHKCNSDRF-SECBINFHSA-N 1 0 220.099 2.376 10 0 BEAERO CC1(C)[C@@H]([NH2+]Cc2nccs2)[C@@H]2CCO[C@@H]21 ZINC000082944253 343472127 /nfs/dbraw/zinc/47/21/27/343472127.db2.gz PAXOGBAWNAARRK-LSJOCFKGSA-N 1 0 238.356 2.046 10 0 BEAERO CC[C@H]([NH2+]C)c1nc2c(cccc2F)[nH]1 ZINC000044624016 343510232 /nfs/dbraw/zinc/51/02/32/343510232.db2.gz ZOOYTIQIYQZKSW-QMMMGPOBSA-N 1 0 207.252 2.373 10 0 BEAERO CC12C[C@H]3C[C@@H](C1)CC(C[NH2+]CCO)(C3)C2 ZINC000039274197 187262907 /nfs/dbraw/zinc/26/29/07/187262907.db2.gz ZFJSGUXIUBLWBD-VTXSZYRJSA-N 1 0 223.360 2.175 10 0 BEAERO COC(=O)N1CCCCC[C@@H]1c1c[nH]cn1 ZINC000616623352 343524253 /nfs/dbraw/zinc/52/42/53/343524253.db2.gz XUVUYOJKJGNALM-SNVBAGLBSA-N 1 0 223.276 2.093 10 0 BEAERO C[NH+](C)C[C@@H]1CNc2ccc(Cl)cc2C1 ZINC000084783117 343544655 /nfs/dbraw/zinc/54/46/55/343544655.db2.gz JUXRCKHOUDDWQI-VIFPVBQESA-N 1 0 224.735 2.486 10 0 BEAERO COc1ccc(N)cc1C[N@@H+]1CC[C@H](C)C1 ZINC000040716915 187264105 /nfs/dbraw/zinc/26/41/05/187264105.db2.gz ZPYLIPSMRHATEN-JTQLQIEISA-N 1 0 220.316 2.119 10 0 BEAERO Cc1cc(N[C@@H]2CC[N@H+](C)C2)nc(C(C)C)n1 ZINC000042548075 187265307 /nfs/dbraw/zinc/26/53/07/187265307.db2.gz UMUJBMQPTLNRJV-LLVKDONJSA-N 1 0 234.347 2.024 10 0 BEAERO CC(C)N(Cc1cccs1)C(=O)C(C)(C)[NH3+] ZINC000042519346 187265945 /nfs/dbraw/zinc/26/59/45/187265945.db2.gz LJDWGTRHTFAMCX-UHFFFAOYSA-N 1 0 240.372 2.222 10 0 BEAERO CN1CC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000042545507 187266048 /nfs/dbraw/zinc/26/60/48/187266048.db2.gz WMSLPHJEMSCPJS-BLZCZZARSA-N 1 0 248.345 2.365 10 0 BEAERO COC[C@@]1(C(C)C)[NH2+]CCc2ccsc21 ZINC000712512364 537786730 /nfs/dbraw/zinc/78/67/30/537786730.db2.gz HEYHVLMGXWSEKJ-LBPRGKRZSA-N 1 0 225.357 2.392 10 0 BEAERO COC(=O)C[C@@H](C[NH3+])C1CCCCCC1 ZINC000085113293 343581136 /nfs/dbraw/zinc/58/11/36/343581136.db2.gz JJQZFAKXUKVKMF-NSHDSACASA-N 1 0 213.321 2.095 10 0 BEAERO c1cc2c(s1)[C@@H]([C@@H]1CCCO1)[NH2+]CC2 ZINC000712526229 537790528 /nfs/dbraw/zinc/79/05/28/537790528.db2.gz HQVQQLYPGMZOFA-VHSXEESVSA-N 1 0 209.314 2.114 10 0 BEAERO c1cc2c(s1)[C@H]([C@H]1CCCO1)[NH2+]CC2 ZINC000712526232 537790790 /nfs/dbraw/zinc/79/07/90/537790790.db2.gz HQVQQLYPGMZOFA-ZJUUUORDSA-N 1 0 209.314 2.114 10 0 BEAERO Oc1ccc(S[C@H]2CCC[NH2+]C2)cc1 ZINC000043501714 187267156 /nfs/dbraw/zinc/26/71/56/187267156.db2.gz ASNQFGHJVGBLPB-NSHDSACASA-N 1 0 209.314 2.236 10 0 BEAERO COC[C@@H](C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712553168 537792287 /nfs/dbraw/zinc/79/22/87/537792287.db2.gz CGAALFKKXZJNHU-SCZZXKLOSA-N 1 0 211.330 2.217 10 0 BEAERO c1cc2c(s1)[C@]1(CCCOCC1)[NH2+]CC2 ZINC000712553222 537793084 /nfs/dbraw/zinc/79/30/84/537793084.db2.gz JHBLEQAWTUOCSD-GFCCVEGCSA-N 1 0 223.341 2.290 10 0 BEAERO COC[C@H](C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712553169 537793364 /nfs/dbraw/zinc/79/33/64/537793364.db2.gz CGAALFKKXZJNHU-WCBMZHEXSA-N 1 0 211.330 2.217 10 0 BEAERO CO[C@@H](C)[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712553344 537793464 /nfs/dbraw/zinc/79/34/64/537793464.db2.gz QNGKNLHYZHEMHY-KWQFWETISA-N 1 0 211.330 2.144 10 0 BEAERO CC(C)[C@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000086121714 343610670 /nfs/dbraw/zinc/61/06/70/343610670.db2.gz WCSHITWEOYCDPU-BPCQOVAHSA-N 1 0 213.365 2.419 10 0 BEAERO c1cc2c(s1)[C@@H]([C@H]1CCCOC1)[NH2+]CC2 ZINC000712537090 537789406 /nfs/dbraw/zinc/78/94/06/537789406.db2.gz ZINPTABOPKMUMO-WDEREUQCSA-N 1 0 223.341 2.362 10 0 BEAERO c1cc2c(s1)[C@]1(CO[C@H](C3CC3)C1)[NH2+]CC2 ZINC000712523758 537790291 /nfs/dbraw/zinc/79/02/91/537790291.db2.gz SMZVVGQKYRCZRW-AAEUAGOBSA-N 1 0 235.352 2.288 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCCS1 ZINC000379996137 365787566 /nfs/dbraw/zinc/78/75/66/365787566.db2.gz ILPMEIXVUNAATD-GHMZBOCLSA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@H](C[NH3+])C(=O)N[C@H](CC)c1ccccc1 ZINC000051627456 343627233 /nfs/dbraw/zinc/62/72/33/343627233.db2.gz QVMUURRMEHGKDK-DGCLKSJQSA-N 1 0 234.343 2.239 10 0 BEAERO [NH3+][C@H]1CCc2[nH]c3c4cc[nH]c4ccc3c2C1 ZINC000196270756 343629984 /nfs/dbraw/zinc/62/99/84/343629984.db2.gz OZAKODRFPODXQG-QMMMGPOBSA-N 1 0 225.295 2.465 10 0 BEAERO FC1(F)CC[C@@H]([C@@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000712970865 537796019 /nfs/dbraw/zinc/79/60/19/537796019.db2.gz MGIJDAIWYZWYQU-APPZFPTMSA-N 1 0 227.258 2.032 10 0 BEAERO Cc1ccc2c(c1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]21 ZINC000197987186 343656575 /nfs/dbraw/zinc/65/65/75/343656575.db2.gz KITDGEPUMMGWBK-DGCLKSJQSA-N 1 0 215.296 2.227 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000054686283 343690229 /nfs/dbraw/zinc/69/02/29/343690229.db2.gz YDPSQGSLHHJFJC-HUUCEWRRSA-N 1 0 245.297 2.429 10 0 BEAERO CC(=O)Nc1ccc(Nc2cc(N)cc[nH+]2)cc1 ZINC000049830937 187269959 /nfs/dbraw/zinc/26/99/59/187269959.db2.gz BKHGKYZYELQMKR-UHFFFAOYSA-N 1 0 242.282 2.366 10 0 BEAERO Clc1cccc(CNC2=[NH+]CCN2)c1Cl ZINC000059261091 343707341 /nfs/dbraw/zinc/70/73/41/343707341.db2.gz JIDZRCXAOPXSOA-UHFFFAOYSA-N 1 0 244.125 2.042 10 0 BEAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@@H]1CC[C@H](C)O1 ZINC000300017265 537802869 /nfs/dbraw/zinc/80/28/69/537802869.db2.gz QYXWRBVLRMVIJG-AXFHLTTASA-N 1 0 221.304 2.116 10 0 BEAERO CC[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(N)=O ZINC000061676857 343727635 /nfs/dbraw/zinc/72/76/35/343727635.db2.gz FZLAJAZMEOGKMC-LDYMZIIASA-N 1 0 240.734 2.255 10 0 BEAERO Cc1cc(N)cnc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000052813446 187271460 /nfs/dbraw/zinc/27/14/60/187271460.db2.gz CIWUDGBBQJVTNJ-LBPRGKRZSA-N 1 0 248.374 2.114 10 0 BEAERO Cc1ccc(Cc2noc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000051752386 187271487 /nfs/dbraw/zinc/27/14/87/187271487.db2.gz SKAISRWLFRXINA-LBPRGKRZSA-N 1 0 243.310 2.393 10 0 BEAERO C[NH2+][C@@H](C1=CCCCO1)[C@@H]1CCSC1 ZINC000167768918 346967680 /nfs/dbraw/zinc/96/76/80/346967680.db2.gz KCJIXSVQMWXKOD-MWLCHTKSSA-N 1 0 213.346 2.022 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1c(F)cccc1F ZINC000054929477 187272147 /nfs/dbraw/zinc/27/21/47/187272147.db2.gz NVPFPDRZMQPWGV-CMPLNLGQSA-N 1 0 229.270 2.372 10 0 BEAERO CC(C)C[C@H](C)NC(=O)[C@@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000055126656 187272213 /nfs/dbraw/zinc/27/22/13/187272213.db2.gz XRHIAGQQLQCGAN-RVMXOQNASA-N 1 0 240.391 2.301 10 0 BEAERO Cc1ccc(CN2CC[C@@H](C)[NH2+][C@H](C)CC2)cn1 ZINC000062076137 178579619 /nfs/dbraw/zinc/57/96/19/178579619.db2.gz WXIAQKBILSLZQG-ZIAGYGMSSA-N 1 0 247.386 2.352 10 0 BEAERO CC(C)[N@H+](CCNCc1ccco1)CC1CC1 ZINC000053444904 187271768 /nfs/dbraw/zinc/27/17/68/187271768.db2.gz YJSHMOFRTVHOMC-UHFFFAOYSA-N 1 0 236.359 2.490 10 0 BEAERO C[C@@H]([NH3+])c1cnc(N2CCC(C)CC2)s1 ZINC000054864122 187271779 /nfs/dbraw/zinc/27/17/79/187271779.db2.gz RIAYSXCSGZCRJN-SECBINFHSA-N 1 0 225.361 2.399 10 0 BEAERO CCCn1cnnc1[C@@]1(CCC)CCC[NH2+]C1 ZINC000062872738 187273772 /nfs/dbraw/zinc/27/37/72/187273772.db2.gz RZYDZLYUCKONRN-ZDUSSCGKSA-N 1 0 236.363 2.109 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CNc1cc(Cl)ncn1 ZINC000048631191 343782044 /nfs/dbraw/zinc/78/20/44/343782044.db2.gz HRDAHJBBYRQTGU-SECBINFHSA-N 1 0 240.738 2.026 10 0 BEAERO CCn1c2ncccc2nc1[C@@H]([NH3+])CC(C)C ZINC000111349106 343786350 /nfs/dbraw/zinc/78/63/50/343786350.db2.gz GGURNKRKVZFNHB-JTQLQIEISA-N 1 0 232.331 2.497 10 0 BEAERO Cc1nc(N(C)Cc2ccccc2)cc(N)[nH+]1 ZINC000127236781 343787249 /nfs/dbraw/zinc/78/72/49/343787249.db2.gz YRVFMCFHKCMOTM-UHFFFAOYSA-N 1 0 228.299 2.004 10 0 BEAERO [NH3+]C[C@@H](F)Cc1ccc(Br)cc1 ZINC000156345247 343791141 /nfs/dbraw/zinc/79/11/41/343791141.db2.gz WPJBQHXNPIIBFF-VIFPVBQESA-N 1 0 232.096 2.288 10 0 BEAERO [NH3+]C[C@@H](F)Cc1ccccc1Br ZINC000156342149 343791327 /nfs/dbraw/zinc/79/13/27/343791327.db2.gz MZGQMDXXCVFCCO-QMMMGPOBSA-N 1 0 232.096 2.288 10 0 BEAERO Cc1ccc(-c2nc([C@H]3CC[NH2+]C3)no2)cc1 ZINC000216413174 343792612 /nfs/dbraw/zinc/79/26/12/343792612.db2.gz GCXMKIKTJYDJIC-NSHDSACASA-N 1 0 229.283 2.122 10 0 BEAERO F[C@@H](CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000409422582 343813713 /nfs/dbraw/zinc/81/37/13/343813713.db2.gz GIEYHHZUSIOGSO-LBPRGKRZSA-N 1 0 242.725 2.256 10 0 BEAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1nccn1C ZINC000069473517 537821893 /nfs/dbraw/zinc/82/18/93/537821893.db2.gz KIBJDPKTDDWUAY-GFCCVEGCSA-N 1 0 233.290 2.062 10 0 BEAERO Cc1ccc(CN2[C@@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC000019801249 178590684 /nfs/dbraw/zinc/59/06/84/178590684.db2.gz NKOOQJASQYUINX-STQMWFEESA-N 1 0 218.344 2.177 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1OCc1ccccc1 ZINC000409430112 343807650 /nfs/dbraw/zinc/80/76/50/343807650.db2.gz FDTULMBDJZHEDR-LBPRGKRZSA-N 1 0 205.301 2.201 10 0 BEAERO C[NH2+]Cc1c(C2CCOCC2)n[nH]c1C(C)C ZINC000409439842 343853452 /nfs/dbraw/zinc/85/34/52/343853452.db2.gz JTBXXIDPKIJAHR-UHFFFAOYSA-N 1 0 237.347 2.147 10 0 BEAERO CC(C)Cc1cc(C[NH3+])nc(C2CC2)n1 ZINC000409440120 343854401 /nfs/dbraw/zinc/85/44/01/343854401.db2.gz VVTYNJCJNTZKNL-UHFFFAOYSA-N 1 0 205.305 2.011 10 0 BEAERO CCc1[nH]nc(-c2ccccc2)c1C[NH3+] ZINC000409442192 343857363 /nfs/dbraw/zinc/85/73/63/343857363.db2.gz XLGCDWIJFWKIIF-UHFFFAOYSA-N 1 0 201.273 2.098 10 0 BEAERO C[NH2+]Cc1c(C(F)(F)F)n[nH]c1C(C)C ZINC000409440830 343855953 /nfs/dbraw/zinc/85/59/53/343855953.db2.gz VBXXYVNGLQROAC-UHFFFAOYSA-N 1 0 221.226 2.271 10 0 BEAERO COc1ccc([C@H](O)[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000071551011 187276005 /nfs/dbraw/zinc/27/60/05/187276005.db2.gz ORLFFLHMZZPACM-NEPJUHHUSA-N 1 0 241.718 2.134 10 0 BEAERO Cc1cccc([C@@H]2Cc3c(cnn3C)[C@H]([NH3+])C2)c1 ZINC000072415860 187276114 /nfs/dbraw/zinc/27/61/14/187276114.db2.gz YZYAJNXRNXDIMZ-GXTWGEPZSA-N 1 0 241.338 2.458 10 0 BEAERO [NH3+]Cc1cnc(-c2ccco2)c(Cl)c1 ZINC000409436597 343839274 /nfs/dbraw/zinc/83/92/74/343839274.db2.gz LTXCDOXSIRHQFO-UHFFFAOYSA-N 1 0 208.648 2.454 10 0 BEAERO [NH3+]CCc1cn(CCF)nc1-c1ccccc1 ZINC000409437552 343840540 /nfs/dbraw/zinc/84/05/40/343840540.db2.gz IASLHUIGQJBEQK-UHFFFAOYSA-N 1 0 233.290 2.021 10 0 BEAERO [NH3+]CCc1c(-c2ccco2)n[nH]c1C1CCC1 ZINC000409438677 343844771 /nfs/dbraw/zinc/84/47/71/343844771.db2.gz FAQNSLHSHVMDRE-UHFFFAOYSA-N 1 0 231.299 2.438 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000409438589 343844828 /nfs/dbraw/zinc/84/48/28/343844828.db2.gz DGDXIQZWVPEOMS-MNOVXSKESA-N 1 0 229.283 2.331 10 0 BEAERO CCc1[nH]nc(C2CCCC2)c1CC[NH3+] ZINC000409438753 343845424 /nfs/dbraw/zinc/84/54/24/343845424.db2.gz FPSYCNSIUKAHIV-UHFFFAOYSA-N 1 0 207.321 2.131 10 0 BEAERO CCn1cc(C[NH2+]C)c(-c2ccccc2)n1 ZINC000409438993 343846099 /nfs/dbraw/zinc/84/60/99/343846099.db2.gz NKOSYBQEFJZOSI-UHFFFAOYSA-N 1 0 215.300 2.289 10 0 BEAERO CCn1cc(C[NH2+]C)c(-c2cccs2)n1 ZINC000409439184 343846332 /nfs/dbraw/zinc/84/63/32/343846332.db2.gz OEEYRTUOBKSPEZ-UHFFFAOYSA-N 1 0 221.329 2.351 10 0 BEAERO C[NH2+]Cc1c(C2CCC2)[nH]nc1C(F)(F)F ZINC000409439571 343847856 /nfs/dbraw/zinc/84/78/56/343847856.db2.gz PSUAZPWONQXOPH-UHFFFAOYSA-N 1 0 233.237 2.415 10 0 BEAERO [NH3+]Cc1cc(Cc2ccsc2)nc(C2CC2)n1 ZINC000409439610 343847964 /nfs/dbraw/zinc/84/79/64/343847964.db2.gz SNCBPUUWOPXJAX-UHFFFAOYSA-N 1 0 245.351 2.465 10 0 BEAERO C[C@@](Cc1ccccc1)(C(=[NH2+])NO)n1cccc1 ZINC000409439748 343848369 /nfs/dbraw/zinc/84/83/69/343848369.db2.gz IEAAYRBIUTXEQE-CQSZACIVSA-N 1 0 243.310 2.402 10 0 BEAERO CCn1cc(CC(N)=[NH2+])c(-c2cccs2)n1 ZINC000409437779 343848918 /nfs/dbraw/zinc/84/89/18/343848918.db2.gz IRSWSCJYQRPMNV-UHFFFAOYSA-N 1 0 234.328 2.110 10 0 BEAERO [NH3+]Cc1cn(CC2CC2)nc1-c1ccccc1 ZINC000409440579 343852850 /nfs/dbraw/zinc/85/28/50/343852850.db2.gz UNJJLKWTTLXGQB-UHFFFAOYSA-N 1 0 227.311 2.419 10 0 BEAERO CCc1cc(-c2cccs2)nn1CC(N)=[NH2+] ZINC000409441594 343859881 /nfs/dbraw/zinc/85/98/81/343859881.db2.gz RXCMKMJAASSWKY-UHFFFAOYSA-N 1 0 234.328 2.110 10 0 BEAERO [NH3+]CCc1cc(-c2ccccc2)nn1CCF ZINC000409443879 343863518 /nfs/dbraw/zinc/86/35/18/343863518.db2.gz VXVDHCMCRRKPND-UHFFFAOYSA-N 1 0 233.290 2.021 10 0 BEAERO C[NH2+]Cc1cc(-c2cccs2)nn1CCF ZINC000409444050 343863647 /nfs/dbraw/zinc/86/36/47/343863647.db2.gz ZIOALPXQBODFOF-UHFFFAOYSA-N 1 0 239.319 2.301 10 0 BEAERO [NH3+]CCc1cc(-c2ccsc2)nn1CCF ZINC000409442825 343864671 /nfs/dbraw/zinc/86/46/71/343864671.db2.gz BHSZATQWOGIBGY-UHFFFAOYSA-N 1 0 239.319 2.082 10 0 BEAERO CC(C)(C)c1ccc2c(c1)OC[C@@H]([NH3+])CO2 ZINC000409443112 343865465 /nfs/dbraw/zinc/86/54/65/343865465.db2.gz HESVYGNFZSIILG-JTQLQIEISA-N 1 0 221.300 2.083 10 0 BEAERO CC(C)(C)c1ccc2c(c1)OC[C@H]([NH3+])CO2 ZINC000409443113 343865537 /nfs/dbraw/zinc/86/55/37/343865537.db2.gz HESVYGNFZSIILG-SNVBAGLBSA-N 1 0 221.300 2.083 10 0 BEAERO CC(C)Cn1nc(-c2ccccn2)cc1C[NH3+] ZINC000409443346 343867209 /nfs/dbraw/zinc/86/72/09/343867209.db2.gz LMQWZLWBKBLWPT-UHFFFAOYSA-N 1 0 230.315 2.060 10 0 BEAERO C[NH2+]Cc1cc(C(F)(F)F)nn1CC(C)C ZINC000409443356 343867271 /nfs/dbraw/zinc/86/72/71/343867271.db2.gz LOXDPURAUZBEJQ-UHFFFAOYSA-N 1 0 235.253 2.277 10 0 BEAERO c1ccc2sc(NCC[NH2+]C3CC3)nc2c1 ZINC000054267891 343885092 /nfs/dbraw/zinc/88/50/92/343885092.db2.gz VTIATEZUGHGWDR-UHFFFAOYSA-N 1 0 233.340 2.460 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CC2CC(C)(C)C2)C1 ZINC000625463931 343870782 /nfs/dbraw/zinc/87/07/82/343870782.db2.gz HNMONXNFOPCXAH-JQWIXIFHSA-N 1 0 211.349 2.125 10 0 BEAERO CC(C)(C)[C@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000040464131 187354475 /nfs/dbraw/zinc/35/44/75/187354475.db2.gz DYJUPYUOGZCNJV-LLVKDONJSA-N 1 0 226.364 2.056 10 0 BEAERO CSc1ccc([C@H](C)N2CC[NH2+]CC2)cc1 ZINC000022123604 343906499 /nfs/dbraw/zinc/90/64/99/343906499.db2.gz RDHISQZXFCRNJW-NSHDSACASA-N 1 0 236.384 2.375 10 0 BEAERO CC[C@@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000022120874 343906629 /nfs/dbraw/zinc/90/66/29/343906629.db2.gz KZHQXCRVXYAZRQ-ZDUSSCGKSA-N 1 0 222.307 2.182 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccc(N)cc2)C1 ZINC000220072924 343918030 /nfs/dbraw/zinc/91/80/30/343918030.db2.gz ATZMGQWYKMZVPJ-LBPRGKRZSA-N 1 0 204.317 2.468 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccc(N)cc2)C1 ZINC000220073004 343918172 /nfs/dbraw/zinc/91/81/72/343918172.db2.gz ATZMGQWYKMZVPJ-GFCCVEGCSA-N 1 0 204.317 2.468 10 0 BEAERO Cc1ccc(CNC(=O)C[C@H](C[NH3+])C(C)C)cc1 ZINC000076634388 187279903 /nfs/dbraw/zinc/27/99/03/187279903.db2.gz WDGFCZRIXDGUML-CQSZACIVSA-N 1 0 248.370 2.232 10 0 BEAERO [NH3+][C@H]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC000070573300 343953082 /nfs/dbraw/zinc/95/30/82/343953082.db2.gz RLIAWTOGZWDQPF-STQMWFEESA-N 1 0 233.311 2.247 10 0 BEAERO [NH3+]Cc1ccnn1Cc1ccc(Cl)s1 ZINC000070708232 343954786 /nfs/dbraw/zinc/95/47/86/343954786.db2.gz CAJLDFMFHWYRSI-UHFFFAOYSA-N 1 0 227.720 2.105 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCCC2=O)C[C@@H]1C ZINC000135206675 343968025 /nfs/dbraw/zinc/96/80/25/343968025.db2.gz BOVHVPUDQGHTQG-WOPDTQHZSA-N 1 0 209.333 2.334 10 0 BEAERO Nc1cccc(S[C@@H]2CCC[NH2+]C2)c1 ZINC000083324037 187284348 /nfs/dbraw/zinc/28/43/48/187284348.db2.gz ITXDLPSGPRCDLS-LLVKDONJSA-N 1 0 208.330 2.113 10 0 BEAERO Nc1cccc(SC2CC[NH2+]CC2)c1 ZINC000083324046 187284555 /nfs/dbraw/zinc/28/45/55/187284555.db2.gz DGZAFOBZAAYBCG-UHFFFAOYSA-N 1 0 208.330 2.113 10 0 BEAERO CC(C)(C)Oc1cc(N)[nH+]cc1OC1CC1 ZINC000095727175 187287613 /nfs/dbraw/zinc/28/76/13/187287613.db2.gz UXIJAEJTGULZJS-UHFFFAOYSA-N 1 0 222.288 2.382 10 0 BEAERO C/C=C/C(=O)N1CCCc2c(C[NH3+])cccc21 ZINC000616569640 344171125 /nfs/dbraw/zinc/17/11/25/344171125.db2.gz BQNZLUCKXFBNLS-GORDUTHDSA-N 1 0 230.311 2.001 10 0 BEAERO [NH3+]CCc1c(C2CC2)cc(C2CC2)[nH]c1=O ZINC000616570182 344171613 /nfs/dbraw/zinc/17/16/13/344171613.db2.gz CXBLDYYNHONWPF-UHFFFAOYSA-N 1 0 218.300 2.043 10 0 BEAERO CC[C@H]1CCN(C(=O)C2CCCCC2)C[C@H]1[NH3+] ZINC000616570198 344171922 /nfs/dbraw/zinc/17/19/22/344171922.db2.gz MJTFPXSCWACKBI-WCQYABFASA-N 1 0 238.375 2.153 10 0 BEAERO COC(C)(C)C[C@H]1[NH2+]C[C@H](C)CS1 ZINC000234656805 344174114 /nfs/dbraw/zinc/17/41/14/344174114.db2.gz OPHADAUENBYTOI-IUCAKERBSA-N 1 0 203.351 2.100 10 0 BEAERO O=C(Nc1ccc(F)cc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735306 344123287 /nfs/dbraw/zinc/12/32/87/344123287.db2.gz BSLSCAXZAWMXGY-HZMBPMFUSA-N 1 0 248.301 2.154 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC(F)(F)CC1 ZINC000634737888 344142509 /nfs/dbraw/zinc/14/25/09/344142509.db2.gz BLUMZVNOHWDTMU-SNVBAGLBSA-N 1 0 248.317 2.008 10 0 BEAERO Cn1c(Br)cnc1C1CC1 ZINC000095930222 187288577 /nfs/dbraw/zinc/28/85/77/187288577.db2.gz UEJJGKWMUUAGBP-UHFFFAOYSA-N 1 0 201.067 2.060 10 0 BEAERO CC[C@H](O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096872343 187288800 /nfs/dbraw/zinc/28/88/00/187288800.db2.gz DKLFYBHLOMQSII-KGLIPLIRSA-N 1 0 219.328 2.279 10 0 BEAERO CC1(C)OC(=O)[C@]12CCCN2Cc1ccccc1 ZINC000095937720 187288962 /nfs/dbraw/zinc/28/89/62/187288962.db2.gz USZNNIUWSPWPBE-OAHLLOKOSA-N 1 0 245.322 2.357 10 0 BEAERO CCCCC[NH2+]Cc1cnc2ccnn2c1 ZINC000310002559 344155862 /nfs/dbraw/zinc/15/58/62/344155862.db2.gz FJJMEVXFTKQDLV-UHFFFAOYSA-N 1 0 218.304 2.009 10 0 BEAERO CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000131093077 344229355 /nfs/dbraw/zinc/22/93/55/344229355.db2.gz FRMHTFATAARHDN-NWDGAFQWSA-N 1 0 227.348 2.450 10 0 BEAERO C/C=C(\C)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616571853 344182112 /nfs/dbraw/zinc/18/21/12/344182112.db2.gz NVQGFTIEHDKXDN-VZUCSPMQSA-N 1 0 238.375 2.176 10 0 BEAERO C[C@H](NC(=O)CC1CC1)c1cccc(C[NH3+])c1 ZINC000616572386 344183766 /nfs/dbraw/zinc/18/37/66/344183766.db2.gz LYJDISHYYSVRQC-JTQLQIEISA-N 1 0 232.327 2.123 10 0 BEAERO CC[C@@H](C)c1nnc([C@H]([NH3+])C(C)(C)C)[nH]1 ZINC000616573875 344186303 /nfs/dbraw/zinc/18/63/03/344186303.db2.gz LURSKXHDOOSSRV-SFYZADRCSA-N 1 0 210.325 2.364 10 0 BEAERO FC1(Cc2cccc(Br)c2)C[NH2+]C1 ZINC000158125881 344244108 /nfs/dbraw/zinc/24/41/08/344244108.db2.gz CBVQCGXJSCGPLV-UHFFFAOYSA-N 1 0 244.107 2.303 10 0 BEAERO CO[C@H](C)[C@@H](C)[NH2+]CCc1ccsc1 ZINC000132299419 344298064 /nfs/dbraw/zinc/29/80/64/344298064.db2.gz WQICCCWYHMOFCB-NXEZZACHSA-N 1 0 213.346 2.304 10 0 BEAERO NC(=[NH2+])Cc1cccc(Cl)c1Cl ZINC000142316047 344290359 /nfs/dbraw/zinc/29/03/59/344290359.db2.gz QFUHMXDDKWDBLQ-UHFFFAOYSA-N 1 0 203.072 2.472 10 0 BEAERO C[C@@H](O)C[N@H+](C)Cc1ccnc2ccccc12 ZINC000092364539 344294236 /nfs/dbraw/zinc/29/42/36/344294236.db2.gz UNAOBNDYVIWPBQ-LLVKDONJSA-N 1 0 230.311 2.047 10 0 BEAERO CC1(C)CC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000133125385 344313557 /nfs/dbraw/zinc/31/35/57/344313557.db2.gz GIUAJCCNPLIPLG-NSHDSACASA-N 1 0 211.349 2.317 10 0 BEAERO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)C2CCCC2)C1 ZINC000158061281 344332636 /nfs/dbraw/zinc/33/26/36/344332636.db2.gz GTBXIQCGTYUWDQ-GHMZBOCLSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1cc(C)c2c(c1)[C@H]([NH3+])CCC[S@]2=O ZINC000040974538 187290722 /nfs/dbraw/zinc/29/07/22/187290722.db2.gz ZGDKHQZNOPRNSF-ABAIWWIYSA-N 1 0 223.341 2.205 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C=O)o2)C1 ZINC000158062234 344353551 /nfs/dbraw/zinc/35/35/51/344353551.db2.gz RTNCXOAHXBJOAF-ZJUUUORDSA-N 1 0 207.273 2.322 10 0 BEAERO CCCCOC(=O)[C@H]1CC[C@@H](C[NH3+])CC1 ZINC000145608696 344356718 /nfs/dbraw/zinc/35/67/18/344356718.db2.gz QBPKCFCNMBCPKK-XYPYZODXSA-N 1 0 213.321 2.095 10 0 BEAERO COc1ccccc1CC1=CC[NH2+]CC1 ZINC000084366701 344422504 /nfs/dbraw/zinc/42/25/04/344422504.db2.gz QLXLJJLDLSWVRU-UHFFFAOYSA-N 1 0 203.285 2.157 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCCCC1(F)F ZINC000385264050 344384626 /nfs/dbraw/zinc/38/46/26/344384626.db2.gz QWCWPILJAMKASF-MXWKQRLJSA-N 1 0 232.318 2.233 10 0 BEAERO C[C@@H](c1cccs1)N1CCC[C@H]1C[NH3+] ZINC000247722737 344386276 /nfs/dbraw/zinc/38/62/76/344386276.db2.gz BWCOTXLGXJMJTJ-UWVGGRQHSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CN1c1ncc(Cl)cc1Cl ZINC000385295633 344388821 /nfs/dbraw/zinc/38/88/21/344388821.db2.gz ZEESJZSXWYFTQR-XPUUQOCRSA-N 1 0 246.141 2.314 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cnno2)CC1 ZINC000616600350 344443803 /nfs/dbraw/zinc/44/38/03/344443803.db2.gz CMNOBXSXIXEDDI-SNVBAGLBSA-N 1 0 209.293 2.048 10 0 BEAERO C[NH2+][C@@H]1CCCc2cn(C(F)F)cc21 ZINC000135507096 344506459 /nfs/dbraw/zinc/50/64/59/344506459.db2.gz VSDSDZLEVRXYRI-SECBINFHSA-N 1 0 200.232 2.480 10 0 BEAERO CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037027203 344486924 /nfs/dbraw/zinc/48/69/24/344486924.db2.gz GWYBSQFPWRCAJZ-XQQFMLRXSA-N 1 0 238.375 2.071 10 0 BEAERO CCCC[C@@H](C)[C@@H](C)[NH2+]CCn1cncn1 ZINC000309995439 344492913 /nfs/dbraw/zinc/49/29/13/344492913.db2.gz CAMSSEZGLQZQLB-VXGBXAGGSA-N 1 0 224.352 2.083 10 0 BEAERO COc1ccc(Br)c([C@H]2C[C@H]2[NH3+])c1 ZINC000234969202 344520152 /nfs/dbraw/zinc/52/01/52/344520152.db2.gz UWIHBCRGOXQXHF-PSASIEDQSA-N 1 0 242.116 2.272 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](c2ccc(CO)cc2)C1 ZINC000616613880 344524397 /nfs/dbraw/zinc/52/43/97/344524397.db2.gz UFLALUHRHFHHFE-AWEZNQCLSA-N 1 0 219.328 2.377 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616614403 344529726 /nfs/dbraw/zinc/52/97/26/344529726.db2.gz NDGATPROXSSAMU-OAHLLOKOSA-N 1 0 242.322 2.016 10 0 BEAERO CC(C)C[C@@](C)(CN)[N@@H+]1CCCSCC1 ZINC000042443592 187291573 /nfs/dbraw/zinc/29/15/73/187291573.db2.gz KLBISNJYTVZEDD-LBPRGKRZSA-N 1 0 230.421 2.189 10 0 BEAERO Cc1nc(CC2(F)CC[NH2+]CC2)cs1 ZINC000158106057 344545317 /nfs/dbraw/zinc/54/53/17/344545317.db2.gz RGSBZEARCSOGAI-UHFFFAOYSA-N 1 0 214.309 2.086 10 0 BEAERO C[C@@](F)(C[NH3+])[C@@H]1CCOC2(CCC2)C1 ZINC000158252503 344575227 /nfs/dbraw/zinc/57/52/27/344575227.db2.gz MNSSQPJTIIOEJO-NXEZZACHSA-N 1 0 201.285 2.023 10 0 BEAERO Fc1ccc(F)c([C@@]2(F)CC[NH2+]C2)c1 ZINC000158184574 344561223 /nfs/dbraw/zinc/56/12/23/344561223.db2.gz MATXFBAEOQTDFJ-SNVBAGLBSA-N 1 0 201.191 2.123 10 0 BEAERO F[C@@H](Cc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000158262441 344576500 /nfs/dbraw/zinc/57/65/00/344576500.db2.gz DLOWSTKRKBEXPR-IUCAKERBSA-N 1 0 214.309 2.023 10 0 BEAERO [NH3+][C@@H]1CC[C@](F)(CC2CCOCC2)C1 ZINC000158285961 344582616 /nfs/dbraw/zinc/58/26/16/344582616.db2.gz RLEHFKCDMHXIBQ-MNOVXSKESA-N 1 0 201.285 2.023 10 0 BEAERO Cc1nc(C[C@]2(F)CC[C@@H]([NH3+])C2)cs1 ZINC000158300571 344583114 /nfs/dbraw/zinc/58/31/14/344583114.db2.gz IIESLCDVUMRAPT-SCZZXKLOSA-N 1 0 214.309 2.214 10 0 BEAERO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000381985938 347057603 /nfs/dbraw/zinc/05/76/03/347057603.db2.gz GOOFBNTYTVQHNU-ZWKOPEQDSA-N 1 0 216.284 2.429 10 0 BEAERO CC1CCC(C[NH2+]CC2(CO)CC2)CC1 ZINC000168826551 537848250 /nfs/dbraw/zinc/84/82/50/537848250.db2.gz RCCLBMWHFWTDTM-UHFFFAOYSA-N 1 0 211.349 2.175 10 0 BEAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400386591 537853722 /nfs/dbraw/zinc/85/37/22/537853722.db2.gz NJUVMKOCGYUMAS-GXFFZTMASA-N 1 0 219.332 2.351 10 0 BEAERO Cc1nc(C)c([C@H](C)[NH2+]CC[C@@H](C)[NH3+])s1 ZINC000049538814 344651970 /nfs/dbraw/zinc/65/19/70/344651970.db2.gz YOPKNSGAUWFPDR-SFYZADRCSA-N 1 0 227.377 2.148 10 0 BEAERO CC[NH+](CC)CCC[C@H](C)Nc1cccnn1 ZINC000052815898 344669734 /nfs/dbraw/zinc/66/97/34/344669734.db2.gz KZPWPRAGXOLBMR-LBPRGKRZSA-N 1 0 236.363 2.399 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000390005146 259379082 /nfs/dbraw/zinc/37/90/82/259379082.db2.gz WDGGRNIIJIFDSB-UTUOFQBUSA-N 1 0 215.312 2.283 10 0 BEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000133446991 344738418 /nfs/dbraw/zinc/73/84/18/344738418.db2.gz QEYPXLCZRSOZDM-MXWKQRLJSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)C1CCSCC1 ZINC000249964336 323076486 /nfs/dbraw/zinc/07/64/86/323076486.db2.gz JXZUMQGCOFUXMB-WCFLWFBJSA-N 1 0 243.416 2.411 10 0 BEAERO C[N@H+](C[C@H]1C[C@@H](O)C1)C[C@@H]1Cc2ccccc21 ZINC000626046436 344697017 /nfs/dbraw/zinc/69/70/17/344697017.db2.gz CPZAHSDFRYOTGH-FPMFFAJLSA-N 1 0 231.339 2.029 10 0 BEAERO CCOc1cccc([C@@H]2[NH2+]CCS2)c1 ZINC000050522924 344706475 /nfs/dbraw/zinc/70/64/75/344706475.db2.gz JPESHNHMSQLWBW-LLVKDONJSA-N 1 0 209.314 2.420 10 0 BEAERO Cc1ccc(N)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062976022 178707827 /nfs/dbraw/zinc/70/78/27/178707827.db2.gz ALAPGPLKPIJDRW-CQSZACIVSA-N 1 0 245.370 2.252 10 0 BEAERO C[C@@H](CC(N)=S)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000050564906 344711013 /nfs/dbraw/zinc/71/10/13/344711013.db2.gz AXZRQEOVCMXCDW-KXUCPTDWSA-N 1 0 214.378 2.172 10 0 BEAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400386589 537855598 /nfs/dbraw/zinc/85/55/98/537855598.db2.gz NJUVMKOCGYUMAS-GWCFXTLKSA-N 1 0 219.332 2.351 10 0 BEAERO Cc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000400416059 537856845 /nfs/dbraw/zinc/85/68/45/537856845.db2.gz AOGLCFWAAGAWLD-NSHDSACASA-N 1 0 219.313 2.015 10 0 BEAERO CCN1c2ccccc2C2(CC[NH+](C)CC2)C1=O ZINC000118591557 344808562 /nfs/dbraw/zinc/80/85/62/344808562.db2.gz VLHNEJBGTUICKX-UHFFFAOYSA-N 1 0 244.338 2.017 10 0 BEAERO FC(F)(F)c1cccc(COC2C[NH2+]C2)c1 ZINC000062809882 347082167 /nfs/dbraw/zinc/08/21/67/347082167.db2.gz DNRLEPKJQJABTA-UHFFFAOYSA-N 1 0 231.217 2.194 10 0 BEAERO [NH3+]CCCCCNc1ncnc2ccccc21 ZINC000033569982 344851716 /nfs/dbraw/zinc/85/17/16/344851716.db2.gz CKQVCAQXHYCCPU-UHFFFAOYSA-N 1 0 230.315 2.171 10 0 BEAERO Cc1csc([C@]2([NH3+])CCS[C@H]2C)n1 ZINC000235341787 344890353 /nfs/dbraw/zinc/89/03/53/344890353.db2.gz OAQYDMYYJBOQSI-CBAPKCEASA-N 1 0 214.359 2.131 10 0 BEAERO CC(C)(C)[C@H]1CC[N@@H+]([C@@H]2CCC(=O)C2)C1 ZINC000166446626 344898738 /nfs/dbraw/zinc/89/87/38/344898738.db2.gz RTOSDJAXGVRCPS-WDEREUQCSA-N 1 0 209.333 2.476 10 0 BEAERO CC(C)([NH3+])CCc1nc2ccccc2o1 ZINC000050196508 187294366 /nfs/dbraw/zinc/29/43/66/187294366.db2.gz CNDJLNQUNMKZBU-UHFFFAOYSA-N 1 0 204.273 2.498 10 0 BEAERO [NH3+][C@H](CCO)c1ccc(F)c(C(F)(F)F)c1 ZINC000044233048 344988383 /nfs/dbraw/zinc/98/83/83/344988383.db2.gz WZEOTQWVSNWXOJ-SECBINFHSA-N 1 0 237.196 2.227 10 0 BEAERO NNc1cc(Nc2ccsc2)cc[nH+]1 ZINC000227681220 345015579 /nfs/dbraw/zinc/01/55/79/345015579.db2.gz UCXNXMVMMZBTLY-UHFFFAOYSA-N 1 0 206.274 2.172 10 0 BEAERO Cn1cccc1[C@H]([NH3+])COc1ccccc1 ZINC000011848718 345031414 /nfs/dbraw/zinc/03/14/14/345031414.db2.gz VEWYHFIGTBDTJM-GFCCVEGCSA-N 1 0 216.284 2.104 10 0 BEAERO Cc1cc(C)nc(Oc2cccc(C[NH3+])c2)n1 ZINC000011849365 345031978 /nfs/dbraw/zinc/03/19/78/345031978.db2.gz ASTBQTQCQXYDKI-UHFFFAOYSA-N 1 0 229.283 2.344 10 0 BEAERO C[C@@H](c1ccc[nH]1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000248090050 345036770 /nfs/dbraw/zinc/03/67/70/345036770.db2.gz VCPXFGBDYUXQGH-NWDGAFQWSA-N 1 0 221.348 2.150 10 0 BEAERO Cc1c([C@H](C)[NH3+])cnn1-c1nc2ccccc2[nH]1 ZINC000011851185 345036942 /nfs/dbraw/zinc/03/69/42/345036942.db2.gz NXOKNOXVABYZSG-QMMMGPOBSA-N 1 0 241.298 2.077 10 0 BEAERO C[C@H](c1ccco1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000248092921 345038847 /nfs/dbraw/zinc/03/88/47/345038847.db2.gz WGSUSMLEWQYMSA-VXGBXAGGSA-N 1 0 222.332 2.415 10 0 BEAERO Cc1ccc(O[C@@H]2CCC[C@@H]2O)c([C@@H](C)[NH3+])c1 ZINC000037710517 178817785 /nfs/dbraw/zinc/81/77/85/178817785.db2.gz VJBCUWPWZVMGMN-SCDSUCTJSA-N 1 0 235.327 2.307 10 0 BEAERO Cc1ccc(O[C@H]2CCC[C@@H]2O)c([C@@H](C)[NH3+])c1 ZINC000037710519 178819613 /nfs/dbraw/zinc/81/96/13/178819613.db2.gz VJBCUWPWZVMGMN-OSMZGAPFSA-N 1 0 235.327 2.307 10 0 BEAERO C[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1 ZINC000125605701 345084911 /nfs/dbraw/zinc/08/49/11/345084911.db2.gz VQMULCAXFFDFCE-GFCCVEGCSA-N 1 0 230.315 2.019 10 0 BEAERO Cc1c(F)c(Br)ccc1C[NH3+] ZINC000238479841 345056632 /nfs/dbraw/zinc/05/66/32/345056632.db2.gz CCENEUOTTCMOAR-UHFFFAOYSA-N 1 0 218.069 2.355 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000082432805 345060571 /nfs/dbraw/zinc/06/05/71/345060571.db2.gz KZDFSZQRCXODTG-MWLCHTKSSA-N 1 0 215.300 2.071 10 0 BEAERO Cc1cc([C@@H]([NH3+])CC(F)(F)F)ccn1 ZINC000238510076 345064717 /nfs/dbraw/zinc/06/47/17/345064717.db2.gz PQVCTJZPTAHFKP-QMMMGPOBSA-N 1 0 204.195 2.342 10 0 BEAERO [NH3+]Cc1nccc(OC(F)(F)F)c1Cl ZINC000238611465 345092101 /nfs/dbraw/zinc/09/21/01/345092101.db2.gz DIPQPAHBFOAGSD-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Cc1ccc(SC[C@@H]2CC[NH2+]C2)nc1 ZINC000095069162 178828564 /nfs/dbraw/zinc/82/85/64/178828564.db2.gz ODFPRHCMQIMSBG-SNVBAGLBSA-N 1 0 208.330 2.092 10 0 BEAERO CC[N@H+](CC(=O)N[C@H](C)C(C)(C)C)C1CC1 ZINC000126263914 345112948 /nfs/dbraw/zinc/11/29/48/345112948.db2.gz MFHDSKNMNLAVQP-SNVBAGLBSA-N 1 0 226.364 2.022 10 0 BEAERO Cc1ccc(NC(=O)NCCC[NH3+])cc1Cl ZINC000051355087 192085852 /nfs/dbraw/zinc/08/58/52/192085852.db2.gz PFMRSEUJJOVYDT-UHFFFAOYSA-N 1 0 241.722 2.119 10 0 BEAERO C[C@@H]1SCCS[C@@H]1[C@@H]([NH3+])C1CCC1 ZINC000225535499 345159564 /nfs/dbraw/zinc/15/95/64/345159564.db2.gz BOXVJSWYJTZBQF-HGNGGELXSA-N 1 0 217.403 2.351 10 0 BEAERO Cc1sccc1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000227881770 345282021 /nfs/dbraw/zinc/28/20/21/345282021.db2.gz OPHGKXDCZWPOOV-CBAPKCEASA-N 1 0 209.314 2.237 10 0 BEAERO CN(C)Nc1[nH+]cc(Cl)cc1Cl ZINC000148226793 345354295 /nfs/dbraw/zinc/35/42/95/345354295.db2.gz FHQTVEZFTDUCOR-UHFFFAOYSA-N 1 0 206.076 2.277 10 0 BEAERO CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC1 ZINC000227728880 345355185 /nfs/dbraw/zinc/35/51/85/345355185.db2.gz IFQNVLQLZVJXSZ-SECBINFHSA-N 1 0 228.336 2.042 10 0 BEAERO CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055088807 168527001 /nfs/dbraw/zinc/52/70/01/168527001.db2.gz PPQAJINGHLFFSD-QWHCGFSZSA-N 1 0 238.375 2.153 10 0 BEAERO CCCN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158743171 345369751 /nfs/dbraw/zinc/36/97/51/345369751.db2.gz UHZXMUQSRWHADO-GFCCVEGCSA-N 1 0 209.289 2.371 10 0 BEAERO CCN(C)CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159062144 345405923 /nfs/dbraw/zinc/40/59/23/345405923.db2.gz IHGGNPPSWKKXNE-CYBMUJFWSA-N 1 0 248.370 2.094 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nccs1 ZINC000135117744 345432755 /nfs/dbraw/zinc/43/27/55/345432755.db2.gz XMSZOBJGIHHAQH-NSHDSACASA-N 1 0 239.388 2.059 10 0 BEAERO CC(C)CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159565978 345442948 /nfs/dbraw/zinc/44/29/48/345442948.db2.gz HEGOUNQQHVIUEA-ZDUSSCGKSA-N 1 0 226.364 2.071 10 0 BEAERO CCC[C@@H](C)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000051323774 345401265 /nfs/dbraw/zinc/40/12/65/345401265.db2.gz SCDCKCMMAAOFRY-GHMZBOCLSA-N 1 0 215.337 2.164 10 0 BEAERO Fc1ccc(SC2C[NH2+]C2)cc1F ZINC000054931789 345561522 /nfs/dbraw/zinc/56/15/22/345561522.db2.gz VYGJMODNTQICKZ-UHFFFAOYSA-N 1 0 201.241 2.029 10 0 BEAERO COc1cccc([C@@H](O)[C@@H]([NH3+])CC(C)C)c1 ZINC000054929595 345562364 /nfs/dbraw/zinc/56/23/64/345562364.db2.gz JSVJYTXIPHCJMM-QWHCGFSZSA-N 1 0 223.316 2.102 10 0 BEAERO C[C@H]1CC[C@H]([NH2+]CCC(N)=O)c2ccccc21 ZINC000136958635 345565497 /nfs/dbraw/zinc/56/54/97/345565497.db2.gz SGEPSRPQDJWQJU-GWCFXTLKSA-N 1 0 232.327 2.090 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]CCC(N)=O)c2ccccc21 ZINC000136958676 345565681 /nfs/dbraw/zinc/56/56/81/345565681.db2.gz SGEPSRPQDJWQJU-ZWNOBZJWSA-N 1 0 232.327 2.090 10 0 BEAERO Cc1ccc([C@H](C)N(C)C(=O)[C@@H](C)C[NH3+])s1 ZINC000054341877 178883853 /nfs/dbraw/zinc/88/38/53/178883853.db2.gz RYDCSTMRUUXWGY-WPRPVWTQSA-N 1 0 240.372 2.171 10 0 BEAERO Cc1ccc([C@H](N)[C@@H](C)[NH+]2CCCC2)cc1 ZINC000023066094 178908393 /nfs/dbraw/zinc/90/83/93/178908393.db2.gz STNBNDSBLYYAIQ-TZMCWYRMSA-N 1 0 218.344 2.479 10 0 BEAERO Cc1ccc([C@H](C[NH3+])OC[C@@H]2CCOC2)cc1 ZINC000042907356 178903302 /nfs/dbraw/zinc/90/33/02/178903302.db2.gz NLHKLUNBSZJZQI-OCCSQVGLSA-N 1 0 235.327 2.048 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1 ZINC000105700876 345690356 /nfs/dbraw/zinc/69/03/56/345690356.db2.gz ISEDLVKAXBTSJT-ZFWWWQNUSA-N 1 0 230.355 2.355 10 0 BEAERO Cc1ccc([C@H](O)C[NH2+]C2CC2)cc1C ZINC000039105366 178913734 /nfs/dbraw/zinc/91/37/34/178913734.db2.gz ZCFNEOMOHXCIQL-CYBMUJFWSA-N 1 0 205.301 2.089 10 0 BEAERO Nc1ccc2c(c1)N(CC[NH+]1CCCCC1)CC2 ZINC000113814683 345755404 /nfs/dbraw/zinc/75/54/04/345755404.db2.gz CSCNHKQUPIDIOD-UHFFFAOYSA-N 1 0 245.370 2.117 10 0 BEAERO Clc1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc1 ZINC000139946351 345698945 /nfs/dbraw/zinc/69/89/45/345698945.db2.gz HMFSWEFOJYSNEA-PHIMTYICSA-N 1 0 237.734 2.066 10 0 BEAERO Cc1ccc([C@H]([NH3+])[C@H]2CCOC2)c(C)c1 ZINC000048622794 178908967 /nfs/dbraw/zinc/90/89/67/178908967.db2.gz KDQMAVIALQCSAU-WCQYABFASA-N 1 0 205.301 2.340 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000308876498 537908553 /nfs/dbraw/zinc/90/85/53/537908553.db2.gz DAYSBAJLIZBTDD-FRRDWIJNSA-N 1 0 211.349 2.269 10 0 BEAERO CC(=O)Nc1ccc(N[C@H]2CCC[NH2+]CC2)cc1 ZINC000128834787 187359714 /nfs/dbraw/zinc/35/97/14/187359714.db2.gz NWTKXHUUEXWPLZ-LBPRGKRZSA-N 1 0 247.342 2.199 10 0 BEAERO CC[C@H](C)[N@@H+]1CCc2ccc(N)c(N)c2C1 ZINC000034116922 345817254 /nfs/dbraw/zinc/81/72/54/345817254.db2.gz KKVQFAPTILLXEU-VIFPVBQESA-N 1 0 219.332 2.008 10 0 BEAERO C=Cn1c(CO)cc2c1[C@@H](C)C[N@H+](C)[C@H]2C ZINC000257354044 345774350 /nfs/dbraw/zinc/77/43/50/345774350.db2.gz VJWGFAWQJOZHCK-UWVGGRQHSA-N 1 0 220.316 2.191 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1CC ZINC000300296073 345778241 /nfs/dbraw/zinc/77/82/41/345778241.db2.gz VKZSIMGZJSATSN-HZSPNIEDSA-N 1 0 243.391 2.427 10 0 BEAERO Clc1ccc(-c2nc([C@H]3CC[NH2+]C3)no2)cc1 ZINC000257968499 345778990 /nfs/dbraw/zinc/77/89/90/345778990.db2.gz NFDYCTSUUYQRAL-VIFPVBQESA-N 1 0 249.701 2.467 10 0 BEAERO Clc1ccccc1-c1nc([C@H]2CC[NH2+]C2)no1 ZINC000257991074 345779273 /nfs/dbraw/zinc/77/92/73/345779273.db2.gz OXTVNEYAIPEZOH-QMMMGPOBSA-N 1 0 249.701 2.467 10 0 BEAERO CC(C)(C)c1ccc(OC[C@@H]2C[NH+]=C(N)O2)cc1 ZINC000034338305 345821545 /nfs/dbraw/zinc/82/15/45/345821545.db2.gz XBAKLHVTBQUKPI-LBPRGKRZSA-N 1 0 248.326 2.076 10 0 BEAERO C[C@@H]1CCCn2cc([C@@H]3CCC[NH2+]C3)nc21 ZINC000258432873 345783698 /nfs/dbraw/zinc/78/36/98/345783698.db2.gz OUYMBPRSKZKHEJ-GHMZBOCLSA-N 1 0 219.332 2.247 10 0 BEAERO C1C[NH2+][C@@H](c2nc(C3CCSCC3)no2)C1 ZINC000258886642 345787046 /nfs/dbraw/zinc/78/70/46/345787046.db2.gz NOIIJRSIDFPTSU-SECBINFHSA-N 1 0 239.344 2.105 10 0 BEAERO Cc1nc(C)n([C@H](c2ccc(C)cc2)[C@H](C)[NH3+])n1 ZINC000042910277 178917974 /nfs/dbraw/zinc/91/79/74/178917974.db2.gz FNACDZXLSKROCJ-HZMBPMFUSA-N 1 0 244.342 2.140 10 0 BEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCOC[C@@H]2C)cc1 ZINC000042908412 178918343 /nfs/dbraw/zinc/91/83/43/178918343.db2.gz HCORKXWWWMGUJJ-GUTXKFCHSA-N 1 0 248.370 2.104 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000166818245 345841680 /nfs/dbraw/zinc/84/16/80/345841680.db2.gz CDMJHIPUPXKDRV-UHFFFAOYSA-N 1 0 240.347 2.092 10 0 BEAERO [NH3+]C1(c2nc3c(s2)CSCC3)CCC1 ZINC000061713598 345844530 /nfs/dbraw/zinc/84/45/30/345844530.db2.gz FRAWITKSWXYUGW-UHFFFAOYSA-N 1 0 226.370 2.270 10 0 BEAERO CC[C@@]1(C)Cc2cccc(OCC[NH3+])c2O1 ZINC000035259206 345847125 /nfs/dbraw/zinc/84/71/25/345847125.db2.gz QFHZZHMZQJAMJG-ZDUSSCGKSA-N 1 0 221.300 2.128 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCCSC1 ZINC000061588148 187360588 /nfs/dbraw/zinc/36/05/88/187360588.db2.gz MJZAIMVKMCPHAS-CHWSQXEVSA-N 1 0 244.448 2.448 10 0 BEAERO Cc1ccc([S@@](=O)C[C@@H]2CCC[NH2+]2)cc1C ZINC000083295273 178932778 /nfs/dbraw/zinc/93/27/78/178932778.db2.gz GITAYMQAVSXFAU-BLLLJJGKSA-N 1 0 237.368 2.163 10 0 BEAERO CCCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107629171 168538700 /nfs/dbraw/zinc/53/87/00/168538700.db2.gz QSCVDVGFJTZBQN-CYBMUJFWSA-N 1 0 238.375 2.263 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC1)CN2 ZINC000211929760 178950641 /nfs/dbraw/zinc/95/06/41/178950641.db2.gz YRSNTXQRFCLKSF-ZDUSSCGKSA-N 1 0 202.301 2.461 10 0 BEAERO CNc1cc(NCC(C)C)nc(C2CC2)[nH+]1 ZINC000087908950 345940292 /nfs/dbraw/zinc/94/02/92/345940292.db2.gz GHANWDNTQLLSRX-UHFFFAOYSA-N 1 0 220.320 2.464 10 0 BEAERO CCCCN(C)c1cc(N)[nH+]c(C2CC2)n1 ZINC000087908849 345940420 /nfs/dbraw/zinc/94/04/20/345940420.db2.gz KIHIKTWURJYZES-UHFFFAOYSA-N 1 0 220.320 2.173 10 0 BEAERO CNc1cc(N2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000087805983 345940834 /nfs/dbraw/zinc/94/08/34/345940834.db2.gz FMMITGYKQZIDNC-VIFPVBQESA-N 1 0 220.320 2.063 10 0 BEAERO Nc1cc([C@@H]2CC[NH2+]C2)sc1Br ZINC000096964222 187361926 /nfs/dbraw/zinc/36/19/26/187361926.db2.gz DUPVTURADWPFGM-RXMQYKEDSA-N 1 0 247.161 2.170 10 0 BEAERO Brc1c[nH]c(C[NH2+]C2CC2)c1 ZINC000148363364 346061975 /nfs/dbraw/zinc/06/19/75/346061975.db2.gz SCUBDEHCHCKDPJ-UHFFFAOYSA-N 1 0 215.094 2.029 10 0 BEAERO CCc1oc(C2CCOCC2)cc1C[NH3+] ZINC000675054578 537947317 /nfs/dbraw/zinc/94/73/17/537947317.db2.gz OLNLUXNKTGORLT-UHFFFAOYSA-N 1 0 209.289 2.195 10 0 BEAERO Cc1ccccc1CN(C)C(C)(C)C[NH3+] ZINC000020226812 187316067 /nfs/dbraw/zinc/31/60/67/187316067.db2.gz FCZJQUFEPMMJIW-UHFFFAOYSA-N 1 0 206.333 2.164 10 0 BEAERO Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000150060669 346167463 /nfs/dbraw/zinc/16/74/63/346167463.db2.gz RLNBYBOWBVPODK-BXUZGUMPSA-N 1 0 219.328 2.198 10 0 BEAERO CC1(C)CC2(CC(=O)O[C@H]2C[NH3+])CC(C)(C)C1 ZINC000675054646 537953346 /nfs/dbraw/zinc/95/33/46/537953346.db2.gz WJFZWAZNYFNVFN-JTQLQIEISA-N 1 0 239.359 2.483 10 0 BEAERO Cc1cc(Br)cc2[nH+]c(N)[nH]c21 ZINC000158921479 346200271 /nfs/dbraw/zinc/20/02/71/346200271.db2.gz HTXFZLGBGYXXBP-UHFFFAOYSA-N 1 0 226.077 2.216 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1ccc(F)cc1Cl ZINC000236312936 346224726 /nfs/dbraw/zinc/22/47/26/346224726.db2.gz JHKOGBALQCNGGV-NXEZZACHSA-N 1 0 215.655 2.268 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1cc(F)ccc1Br ZINC000236320273 346224896 /nfs/dbraw/zinc/22/48/96/346224896.db2.gz KYTNKOSONZQXDC-CBAPKCEASA-N 1 0 230.080 2.403 10 0 BEAERO Cc1cccc(C(=O)N[C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000035690730 179023245 /nfs/dbraw/zinc/02/32/45/179023245.db2.gz VWLKWIKPZWUPJN-OCCSQVGLSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1cccc(C(=O)NCC[C@H]2CCCC[NH2+]2)c1 ZINC000019438073 179017662 /nfs/dbraw/zinc/01/76/62/179017662.db2.gz XGFSAWPVCCJTMS-CQSZACIVSA-N 1 0 246.354 2.257 10 0 BEAERO C[C@H]1c2ccccc2N(C2CC[NH+](C)CC2)C1=O ZINC000167634922 346293281 /nfs/dbraw/zinc/29/32/81/346293281.db2.gz GJTDDMXNSDGENN-NSHDSACASA-N 1 0 244.338 2.231 10 0 BEAERO CC(C)(C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377939 537965620 /nfs/dbraw/zinc/96/56/20/537965620.db2.gz ZRUDFFATTALWLH-UHFFFAOYSA-N 1 0 249.354 2.082 10 0 BEAERO Cc1cccc(C)c1N(C)C(=O)C[C@H](C)[NH3+] ZINC000169315833 179038230 /nfs/dbraw/zinc/03/82/30/179038230.db2.gz JCTKLCJWXAKPFE-NSHDSACASA-N 1 0 220.316 2.004 10 0 BEAERO Cc1cccc(C)c1N1CC[C@H](C[NH3+])C1 ZINC000011891534 179039750 /nfs/dbraw/zinc/03/97/50/179039750.db2.gz GWSHRZYHKFYNKB-GFCCVEGCSA-N 1 0 204.317 2.088 10 0 BEAERO Cc1cccc(C)c1N1CC[C@@H](C[NH3+])C1 ZINC000011891531 179039892 /nfs/dbraw/zinc/03/98/92/179039892.db2.gz GWSHRZYHKFYNKB-LBPRGKRZSA-N 1 0 204.317 2.088 10 0 BEAERO Cc1cccc(C)c1NC(=O)C[C@H](C)C[NH3+] ZINC000076610224 179040399 /nfs/dbraw/zinc/04/03/99/179040399.db2.gz JNFNVWYMENUTLB-VIFPVBQESA-N 1 0 220.316 2.227 10 0 BEAERO Cc1cccc(C)c1N[C@@H](C)C1=[NH+]CCN1 ZINC000027656322 179045469 /nfs/dbraw/zinc/04/54/69/179045469.db2.gz MQGFWBBCOFUQDM-NSHDSACASA-N 1 0 217.316 2.106 10 0 BEAERO Cc1cccc(C)c1OCCSCC[NH3+] ZINC000020399365 179046840 /nfs/dbraw/zinc/04/68/40/179046840.db2.gz QNVUSRKNVOETCJ-UHFFFAOYSA-N 1 0 225.357 2.374 10 0 BEAERO Cc1cccc(C)c1OCC[NH2+]C[C@@H]1CCOC1 ZINC000053564293 179047046 /nfs/dbraw/zinc/04/70/46/179047046.db2.gz XUPGHRZCQMMFOK-AWEZNQCLSA-N 1 0 249.354 2.308 10 0 BEAERO Cc1cccc(CC2(C[NH3+])CCOCC2)c1 ZINC000061673944 179052524 /nfs/dbraw/zinc/05/25/24/179052524.db2.gz UVMCHSBOBAWSOQ-UHFFFAOYSA-N 1 0 219.328 2.293 10 0 BEAERO Cc1cccc(CC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041230095 179052591 /nfs/dbraw/zinc/05/25/91/179052591.db2.gz AGAPXGJEXCKCQX-CYBMUJFWSA-N 1 0 217.312 2.106 10 0 BEAERO OCC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000161581707 346338834 /nfs/dbraw/zinc/33/88/34/346338834.db2.gz AUZSEVZDWOTDKX-CYBMUJFWSA-N 1 0 211.349 2.271 10 0 BEAERO Cc1sccc1[C@H]([NH3+])[C@H]1CCCOC1 ZINC000227792488 346340559 /nfs/dbraw/zinc/34/05/59/346340559.db2.gz KTVRVIBNBKLCJV-GXSJLCMTSA-N 1 0 211.330 2.483 10 0 BEAERO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@H]1CCF ZINC000309518462 347091117 /nfs/dbraw/zinc/09/11/17/347091117.db2.gz ZKSLJFZPVSRBSB-FIQHERPVSA-N 1 0 229.339 2.264 10 0 BEAERO Cc1cccc(CN(CC[NH3+])CC(C)C)c1 ZINC000032013795 179072456 /nfs/dbraw/zinc/07/24/56/179072456.db2.gz WJVBBFUGZCNVNT-UHFFFAOYSA-N 1 0 220.360 2.412 10 0 BEAERO Nc1cc[nH+]cc1-c1cc(Cl)cnc1F ZINC000725241200 537977823 /nfs/dbraw/zinc/97/78/23/537977823.db2.gz ALXAEWLXVPTFGF-UHFFFAOYSA-N 1 0 223.638 2.349 10 0 BEAERO C[NH2+][C@@H](C)c1cnc(C(F)(F)F)s1 ZINC000159601075 346426414 /nfs/dbraw/zinc/42/64/14/346426414.db2.gz RYGDQGQDXNNPPQ-BYPYZUCNSA-N 1 0 210.224 2.442 10 0 BEAERO COc1nsc(OC)c1[C@H]1CC[NH2+][C@@H](C)C1 ZINC000669379510 537979815 /nfs/dbraw/zinc/97/98/15/537979815.db2.gz FBGGNBSDNNWXJW-YUMQZZPRSA-N 1 0 242.344 2.016 10 0 BEAERO Cc1cccc(CNC2=[NH+]C(C)(C)CS2)n1 ZINC000051577194 179087822 /nfs/dbraw/zinc/08/78/22/179087822.db2.gz ATTYWJTZKPNHPL-UHFFFAOYSA-N 1 0 235.356 2.361 10 0 BEAERO CCC(CC)[NH2+][C@H]1C[C@@H]2CCCCN2C1 ZINC000725241907 537980467 /nfs/dbraw/zinc/98/04/67/537980467.db2.gz VTTKHQBNQVMILI-STQMWFEESA-N 1 0 210.365 2.391 10 0 BEAERO O=C(c1ccc(Cl)cc1F)[C@H]1CCC[NH2+]1 ZINC000167665928 346456890 /nfs/dbraw/zinc/45/68/90/346456890.db2.gz XFPQNKKWUHGCOZ-SNVBAGLBSA-N 1 0 227.666 2.414 10 0 BEAERO Cc1cccc(C[NH2+]Cc2cnc(C)cn2)c1 ZINC000061320003 179095975 /nfs/dbraw/zinc/09/59/75/179095975.db2.gz NXPBOUFFHOTCAB-UHFFFAOYSA-N 1 0 227.311 2.383 10 0 BEAERO COc1ccc2c3c(n(C)c2c1)[C@H](C)[NH2+]CC3 ZINC000215981257 349964716 /nfs/dbraw/zinc/96/47/16/349964716.db2.gz DEAACPMSCNNZMR-VIFPVBQESA-N 1 0 230.311 2.394 10 0 BEAERO Cc1cccc(C[C@]2(C[NH3+])CCCOC2)c1 ZINC000062193157 179106826 /nfs/dbraw/zinc/10/68/26/179106826.db2.gz CSAWJRAEVSHMQP-AWEZNQCLSA-N 1 0 219.328 2.293 10 0 BEAERO O=Cc1cc(C[NH+]2CCCCC2)ccc1O ZINC000238726999 346491142 /nfs/dbraw/zinc/49/11/42/346491142.db2.gz DCERMCXBXWQBDA-UHFFFAOYSA-N 1 0 219.284 2.191 10 0 BEAERO Cc1cccc(COC[C@@H]2CCC[NH2+]2)c1 ZINC000028521830 179103526 /nfs/dbraw/zinc/10/35/26/179103526.db2.gz WWUDLJNDGRMVNP-ZDUSSCGKSA-N 1 0 205.301 2.264 10 0 BEAERO Cc1cccc(C[C@H]([NH3+])[C@H]2CCCOC2)c1 ZINC000062237902 179106142 /nfs/dbraw/zinc/10/61/42/179106142.db2.gz LJKJEHQMKXPCDX-KBPBESRZSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N)cc1Cl ZINC000669379861 537981815 /nfs/dbraw/zinc/98/18/15/537981815.db2.gz HSCILINCTOPUEV-CMPLNLGQSA-N 1 0 224.735 2.053 10 0 BEAERO [NH3+]C[C@@H](F)Cc1ccc(F)cc1Cl ZINC000162849271 346540377 /nfs/dbraw/zinc/54/03/77/346540377.db2.gz RRBXAFZFSNSGBE-QMMMGPOBSA-N 1 0 205.635 2.318 10 0 BEAERO Cc1cccc(N2CC[NH2+][C@H](C)CC2)c1 ZINC000049661752 179122551 /nfs/dbraw/zinc/12/25/51/179122551.db2.gz SRMRMRUCYSUMSH-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1cccc(N2CC[C@@H](C[NH3+])C2)c1C ZINC000011891537 179122826 /nfs/dbraw/zinc/12/28/26/179122826.db2.gz LBEIPRCBEXCFOA-LBPRGKRZSA-N 1 0 204.317 2.088 10 0 BEAERO Cc1cccc(N2CC[C@H](C[NH3+])C2)c1C ZINC000011891540 179123250 /nfs/dbraw/zinc/12/32/50/179123250.db2.gz LBEIPRCBEXCFOA-GFCCVEGCSA-N 1 0 204.317 2.088 10 0 BEAERO C[C@@H]([NH3+])C[C@H](O)c1ccccc1Br ZINC000164146914 346592626 /nfs/dbraw/zinc/59/26/26/346592626.db2.gz ZTCSMPNAODOSGT-XCBNKYQSSA-N 1 0 244.132 2.220 10 0 BEAERO C[C@H]([NH3+])C[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000164149372 346593157 /nfs/dbraw/zinc/59/31/57/346593157.db2.gz UJZHWFUCGDICAW-QUBYGPBYSA-N 1 0 217.671 2.250 10 0 BEAERO CCC[NH2+][C@H]1CCCc2[nH]c(=O)sc21 ZINC000164275851 346598090 /nfs/dbraw/zinc/59/80/90/346598090.db2.gz NQYOPYYVPXOKDS-ZETCQYMHSA-N 1 0 212.318 2.226 10 0 BEAERO COC1CCC2(CC1)[NH2+][C@@H](C)CCS2 ZINC000164327362 346600441 /nfs/dbraw/zinc/60/04/41/346600441.db2.gz XHVAOUZLOQFAKR-WHXUTIOJSA-N 1 0 215.362 2.387 10 0 BEAERO Cc1cccc(NC(=O)[C@@H](C)CC[NH3+])c1C ZINC000076610126 179137885 /nfs/dbraw/zinc/13/78/85/179137885.db2.gz NMRXROBZJCLKSK-JTQLQIEISA-N 1 0 220.316 2.227 10 0 BEAERO [NH3+]CCCc1cccc2c(O)cccc12 ZINC000107845677 346661014 /nfs/dbraw/zinc/66/10/14/346661014.db2.gz VYPBLEWHUBRBJG-UHFFFAOYSA-N 1 0 201.269 2.437 10 0 BEAERO Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054290542 179129535 /nfs/dbraw/zinc/12/95/35/179129535.db2.gz BTRWBSLWDTWHRW-GFCCVEGCSA-N 1 0 232.327 2.323 10 0 BEAERO Cc1cccc(NC(=O)N(C)[C@H]2CCC[NH2+]C2)c1 ZINC000037541715 179130710 /nfs/dbraw/zinc/13/07/10/179130710.db2.gz XJUBEFGGPZVBNE-ZDUSSCGKSA-N 1 0 247.342 2.211 10 0 BEAERO Cc1cccc(NC(=O)[C@H](C)CC[NH3+])c1C ZINC000076610127 179139685 /nfs/dbraw/zinc/13/96/85/179139685.db2.gz NMRXROBZJCLKSK-SNVBAGLBSA-N 1 0 220.316 2.227 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000019517112 179141219 /nfs/dbraw/zinc/14/12/19/179141219.db2.gz NSETVEYXEVMFNK-NEPJUHHUSA-N 1 0 232.327 2.322 10 0 BEAERO Cc1cc([C@@H](O)[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000168002592 346724376 /nfs/dbraw/zinc/72/43/76/346724376.db2.gz GIAQYRWISNZHGT-WDEREUQCSA-N 1 0 213.346 2.382 10 0 BEAERO COc1ccc(F)cc1-c1cncc(C[NH3+])c1 ZINC000166490361 346677733 /nfs/dbraw/zinc/67/77/33/346677733.db2.gz SAPXUUKQOUTSFY-UHFFFAOYSA-N 1 0 232.258 2.355 10 0 BEAERO Cc1cccc(OC2CCC([NH3+])CC2)n1 ZINC000055143417 179162887 /nfs/dbraw/zinc/16/28/87/179162887.db2.gz FTUBMHUDSMGRLA-UHFFFAOYSA-N 1 0 206.289 2.039 10 0 BEAERO Cc1cccc(OCC[N@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000295093504 179165848 /nfs/dbraw/zinc/16/58/48/179165848.db2.gz AHARWPSWWKWASW-DZGCQCFKSA-N 1 0 249.354 2.219 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000378663279 346798426 /nfs/dbraw/zinc/79/84/26/346798426.db2.gz BAOUMAKRZSBJQF-FVCCEPFGSA-N 1 0 210.365 2.247 10 0 BEAERO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000378676018 346802896 /nfs/dbraw/zinc/80/28/96/346802896.db2.gz PGPPHYLRWDYLJX-WUHRBBMRSA-N 1 0 227.323 2.041 10 0 BEAERO COC1(C[C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)CCC1 ZINC000378668349 346803683 /nfs/dbraw/zinc/80/36/83/346803683.db2.gz HZGAERVNSGIVCL-IJLUTSLNSA-N 1 0 227.348 2.101 10 0 BEAERO Cc1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000042896657 179168585 /nfs/dbraw/zinc/16/85/85/179168585.db2.gz QQANFLAAPLMHAL-HUUCEWRRSA-N 1 0 249.354 2.267 10 0 BEAERO Cc1cccc(OCCNc2cc[nH+]cc2N)c1 ZINC000042895417 179169237 /nfs/dbraw/zinc/16/92/37/179169237.db2.gz FFCMLMSYTOESQH-UHFFFAOYSA-N 1 0 243.310 2.463 10 0 BEAERO C#CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000038592097 347164155 /nfs/dbraw/zinc/16/41/55/347164155.db2.gz SFGFYBJZKYONIL-UHFFFAOYSA-N 1 0 249.741 2.257 10 0 BEAERO Cc1cccc(Oc2ccc(C(N)=[NH2+])cn2)c1 ZINC000019505583 179175608 /nfs/dbraw/zinc/17/56/08/179175608.db2.gz AFEKLKUUDAJWHE-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO C[C@@]1(CCC(F)(F)F)[NH2+]CCc2nc[nH]c21 ZINC000725242760 537986970 /nfs/dbraw/zinc/98/69/70/537986970.db2.gz QPEZXERBFSOWSJ-VIFPVBQESA-N 1 0 233.237 2.113 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000184586464 347168280 /nfs/dbraw/zinc/16/82/80/347168280.db2.gz FSKKGZWXTJOKMA-PWSUYJOCSA-N 1 0 248.374 2.361 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])OC2CCOCC2)c1 ZINC000042969400 179185248 /nfs/dbraw/zinc/18/52/48/179185248.db2.gz DWMAJFCDXAZBAG-CQSZACIVSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1cccc([C@@H](CO)[NH2+]C2CC2)c1C ZINC000043316228 179185281 /nfs/dbraw/zinc/18/52/81/179185281.db2.gz QXZNWTQJMAPGQU-CYBMUJFWSA-N 1 0 205.301 2.089 10 0 BEAERO Cc1ncn([C@H](C[NH3+])c2cccc(C)c2)c1C ZINC000051925747 179185331 /nfs/dbraw/zinc/18/53/31/179185331.db2.gz KIHCGVINBJQGRN-CQSZACIVSA-N 1 0 229.327 2.356 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])N(C)C2CC2)c1C ZINC000043314550 179185575 /nfs/dbraw/zinc/18/55/75/179185575.db2.gz RSMQQFJFSCNKEU-CQSZACIVSA-N 1 0 218.344 2.397 10 0 BEAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCCOCC2)c1 ZINC000061914203 179187690 /nfs/dbraw/zinc/18/76/90/179187690.db2.gz UPOGXHKVUKWUOM-DZGCQCFKSA-N 1 0 248.370 2.106 10 0 BEAERO CCCC[C@H](CC)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000310001449 347217067 /nfs/dbraw/zinc/21/70/67/347217067.db2.gz FBFLHFRYJMGJIW-SDDRHHMPSA-N 1 0 226.364 2.212 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)c1cc(F)cc(F)c1 ZINC000167819945 347226303 /nfs/dbraw/zinc/22/63/03/347226303.db2.gz PJQPDSANXJFMEW-JTQLQIEISA-N 1 0 213.227 2.131 10 0 BEAERO Cc1cccc([C@@](O)([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784499 179191562 /nfs/dbraw/zinc/19/15/62/179191562.db2.gz CNHOSQVSNPCTLU-WPRPVWTQSA-N 1 0 233.233 2.092 10 0 BEAERO C[C@H]([NH3+])Cc1c(O)cccc1Br ZINC000221827743 347233617 /nfs/dbraw/zinc/23/36/17/347233617.db2.gz VUWPOKYQUUMOLP-LURJTMIESA-N 1 0 230.105 2.044 10 0 BEAERO CN(Cc1cccs1)[C@@H]1CCC[C@H]1[NH3+] ZINC000250239079 362797576 /nfs/dbraw/zinc/79/75/76/362797576.db2.gz PXAZIACTDRVCIK-GHMZBOCLSA-N 1 0 210.346 2.060 10 0 BEAERO c1cc2c(o1)[C@]1(C[C@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000725242874 537987858 /nfs/dbraw/zinc/98/78/58/537987858.db2.gz MGKWTTNDGRCWHT-NTZNESFSSA-N 1 0 203.285 2.441 10 0 BEAERO CCN1CCC[C@H]([NH3+])[C@H]1c1cccs1 ZINC000250321261 362799768 /nfs/dbraw/zinc/79/97/68/362799768.db2.gz NEZJWHGZSMWZQF-ONGXEEELSA-N 1 0 210.346 2.232 10 0 BEAERO CCN1CCC[C@@H]([NH3+])[C@H]1c1cccs1 ZINC000250321259 362799799 /nfs/dbraw/zinc/79/97/99/362799799.db2.gz NEZJWHGZSMWZQF-KOLCDFICSA-N 1 0 210.346 2.232 10 0 BEAERO CSCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308306341 347249046 /nfs/dbraw/zinc/24/90/46/347249046.db2.gz OELUDCZWGOWJNB-VHSXEESVSA-N 1 0 205.342 2.467 10 0 BEAERO NC(=[NH2+])c1cc(Br)c(Cl)s1 ZINC000227915837 347254284 /nfs/dbraw/zinc/25/42/84/347254284.db2.gz DULDPFCUMCRXFK-UHFFFAOYSA-N 1 0 239.525 2.448 10 0 BEAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000133045051 179197712 /nfs/dbraw/zinc/19/77/12/179197712.db2.gz XYKUUYKVFSWHSL-JSGCOSHPSA-N 1 0 246.354 2.266 10 0 BEAERO Cc1cnn([C@@H](C[NH3+])c2cccc(C)c2)c1 ZINC000042967808 179199056 /nfs/dbraw/zinc/19/90/56/179199056.db2.gz OUANAONAADMYRN-ZDUSSCGKSA-N 1 0 215.300 2.048 10 0 BEAERO Cc1nccn1[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042967752 179199866 /nfs/dbraw/zinc/19/98/66/179199866.db2.gz GOPQOQGQAFJWMK-ZDUSSCGKSA-N 1 0 215.300 2.048 10 0 BEAERO Cc1cccc([C@H]([NH3+])c2nccn2C)c1C ZINC000041042404 179200464 /nfs/dbraw/zinc/20/04/64/179200464.db2.gz FLGSXXFADCSEBN-LBPRGKRZSA-N 1 0 215.300 2.085 10 0 BEAERO Cc1cccc([C@H](O)[C@@H]2CCC[NH2+]C2)c1C ZINC000041233250 179201620 /nfs/dbraw/zinc/20/16/20/179201620.db2.gz ZDVSZGMPXCALCN-TZMCWYRMSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1cccc([C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000032011858 179201908 /nfs/dbraw/zinc/20/19/08/179201908.db2.gz BOWJQDZMXDZQPZ-GFCCVEGCSA-N 1 0 207.317 2.417 10 0 BEAERO Cc1cccc([C@H](O)C(C)(C)C[NH3+])c1C ZINC000082640506 179202251 /nfs/dbraw/zinc/20/22/51/179202251.db2.gz OMEJLVRMEOFPGS-LBPRGKRZSA-N 1 0 207.317 2.322 10 0 BEAERO Cc1cccc([C@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000039105601 179202693 /nfs/dbraw/zinc/20/26/93/179202693.db2.gz PSNUJTQHJWGPKJ-DGCLKSJQSA-N 1 0 207.317 2.415 10 0 BEAERO Cc1cccc([C@H](O)[C@@H]2CCCC[NH2+]2)c1 ZINC000041213741 179202768 /nfs/dbraw/zinc/20/27/68/179202768.db2.gz RYJUTEUDPAZKGE-STQMWFEESA-N 1 0 205.301 2.171 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000300589348 347280655 /nfs/dbraw/zinc/28/06/55/347280655.db2.gz TVUYNYCBAGXHPY-NFAWXSAZSA-N 1 0 249.354 2.205 10 0 BEAERO Cc1cccc2c(N[C@@H](C)CO)cc[nH+]c12 ZINC000091485283 179212494 /nfs/dbraw/zinc/21/24/94/179212494.db2.gz PEMZFOMYWUKCIR-JTQLQIEISA-N 1 0 216.284 2.336 10 0 BEAERO CCCC[N@H+](CC)C[C@@H](N)CC(C)C ZINC000020072976 347403268 /nfs/dbraw/zinc/40/32/68/347403268.db2.gz MMGJJAGIUWQUPY-LBPRGKRZSA-N 1 0 200.370 2.482 10 0 BEAERO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=S ZINC000036677869 347435903 /nfs/dbraw/zinc/43/59/03/347435903.db2.gz QDAFHHFTMGQUFL-UTLUCORTSA-N 1 0 214.378 2.172 10 0 BEAERO C[C@H](O[C@H]1CCCC[C@H]1[NH3+])C(F)(F)F ZINC000251021309 362832592 /nfs/dbraw/zinc/83/25/92/362832592.db2.gz DCBMNVPNVMMKKR-RNJXMRFFSA-N 1 0 211.227 2.224 10 0 BEAERO CC(C)[NH+]1CCC([S@](=N)(=O)C(C)C)CC1 ZINC000616568190 347444630 /nfs/dbraw/zinc/44/46/30/347444630.db2.gz FUQSNFQXNVYIFL-OAHLLOKOSA-N 1 0 232.393 2.314 10 0 BEAERO CCOC(=O)CC[NH2+][C@@H](C)C1CCCC1 ZINC000054081446 347445096 /nfs/dbraw/zinc/44/50/96/347445096.db2.gz MWKAWAUJGWCCSG-JTQLQIEISA-N 1 0 213.321 2.108 10 0 BEAERO Cc1cccc2cc([C@H](O)CC[NH3+])oc21 ZINC000096868009 179228641 /nfs/dbraw/zinc/22/86/41/179228641.db2.gz RFDSVATYWDZYCU-SNVBAGLBSA-N 1 0 205.257 2.123 10 0 BEAERO CC(C)c1nsc(N[C@H](C)CCC[NH3+])n1 ZINC000087362332 365882422 /nfs/dbraw/zinc/88/24/22/365882422.db2.gz AYEHVCAIHFLVKH-MRVPVSSYSA-N 1 0 228.365 2.201 10 0 BEAERO Cc1ccccc1C(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071338504 179251644 /nfs/dbraw/zinc/25/16/44/179251644.db2.gz XSHAFEJUWMSNQS-TZMCWYRMSA-N 1 0 246.354 2.113 10 0 BEAERO Cc1ccccc1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000041211893 179253775 /nfs/dbraw/zinc/25/37/75/179253775.db2.gz GEKSVURBBDXXCF-LLVKDONJSA-N 1 0 203.285 2.177 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000364834460 347557118 /nfs/dbraw/zinc/55/71/18/347557118.db2.gz PZRABDWVUNLXSH-KGLIPLIRSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1ccccc1C1CC([NH2+]Cc2nnc[nH]2)C1 ZINC000037919692 179256332 /nfs/dbraw/zinc/25/63/32/179256332.db2.gz QXHPXJQDUYXQMI-UHFFFAOYSA-N 1 0 242.326 2.149 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@H]([N@@H+]2CCNC[C@H]2C)C1 ZINC000669380838 537991763 /nfs/dbraw/zinc/99/17/63/537991763.db2.gz XVXUGSXOPUEMDE-YVECIDJPSA-N 1 0 210.365 2.105 10 0 BEAERO Cc1ccccc1CN(CCC(C)C)C(=O)C[NH3+] ZINC000076634872 179271990 /nfs/dbraw/zinc/27/19/90/179271990.db2.gz JUEFVDUKVAIMDM-UHFFFAOYSA-N 1 0 248.370 2.328 10 0 BEAERO Cc1ccccc1C[NH2+]CCc1c[nH]cn1 ZINC000045946339 179281161 /nfs/dbraw/zinc/28/11/61/179281161.db2.gz UVHIZHMZJVGRFC-UHFFFAOYSA-N 1 0 215.300 2.050 10 0 BEAERO CC(C)[C@@H](C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308508336 347747129 /nfs/dbraw/zinc/74/71/29/347747129.db2.gz AXAFVHVUEWFPTC-QWRGUYRKSA-N 1 0 201.354 2.275 10 0 BEAERO Cc1nn(Cc2ccccc2C)c(C)c1C[NH3+] ZINC000036868350 179295149 /nfs/dbraw/zinc/29/51/49/179295149.db2.gz WWNTWWAPSMEXJT-UHFFFAOYSA-N 1 0 229.327 2.315 10 0 BEAERO Cc1ccccc1C[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000062237090 179289860 /nfs/dbraw/zinc/28/98/60/179289860.db2.gz GVGPGXHCYAAJBL-ZIAGYGMSSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1ccccc1NC(=O)c1ccc(C[NH3+])o1 ZINC000011628078 179303226 /nfs/dbraw/zinc/30/32/26/179303226.db2.gz CJHPMKPQLYKRGL-UHFFFAOYSA-N 1 0 230.267 2.299 10 0 BEAERO Cc1ccccc1NC(=O)CC[C@@H](C)C[NH3+] ZINC000076610334 179298046 /nfs/dbraw/zinc/29/80/46/179298046.db2.gz RTTYWZABELXNMZ-SNVBAGLBSA-N 1 0 220.316 2.309 10 0 BEAERO Cc1ccccc1OCCN(C)[C@H]1CCC[NH2+]C1 ZINC000104358843 179310401 /nfs/dbraw/zinc/31/04/01/179310401.db2.gz JNZQLTMFYULKHV-AWEZNQCLSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1ccc([C@@H](O)[C@H]2CCC[NH2+]C2)s1 ZINC000036906300 347970554 /nfs/dbraw/zinc/97/05/54/347970554.db2.gz OHODNLGMFPXFDU-ONGXEEELSA-N 1 0 211.330 2.090 10 0 BEAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])n1ccnc1 ZINC000043037705 179327737 /nfs/dbraw/zinc/32/77/37/179327737.db2.gz WLXXXZSCKYTLDN-DGCLKSJQSA-N 1 0 215.300 2.128 10 0 BEAERO Cc1nccn1[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043037730 179328232 /nfs/dbraw/zinc/32/82/32/179328232.db2.gz FAKCYUYFGZZVQF-BXUZGUMPSA-N 1 0 229.327 2.437 10 0 BEAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])n1ccnc1 ZINC000043037710 179329187 /nfs/dbraw/zinc/32/91/87/179329187.db2.gz WLXXXZSCKYTLDN-WCQYABFASA-N 1 0 215.300 2.128 10 0 BEAERO Cc1ccccc1[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC000041027775 179335497 /nfs/dbraw/zinc/33/54/97/179335497.db2.gz MXQPEBRPOJXIHA-STQMWFEESA-N 1 0 218.344 2.479 10 0 BEAERO Cc1ccccc1[C@@H]1C[NH2+]C(C)(C)CO1 ZINC000011803199 179330432 /nfs/dbraw/zinc/33/04/32/179330432.db2.gz LEZSNFRSMUMORM-LBPRGKRZSA-N 1 0 205.301 2.435 10 0 BEAERO CC(C)C[C@H]1CCN(C(=O)C(C)(C)C)C[C@H]1[NH3+] ZINC000616570599 348066487 /nfs/dbraw/zinc/06/64/87/348066487.db2.gz NNYGKBWMTIZRCW-VXGBXAGGSA-N 1 0 240.391 2.254 10 0 BEAERO CCS[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616570554 348068775 /nfs/dbraw/zinc/06/87/75/348068775.db2.gz SSOQTNAFSAOHGZ-BYPYZUCNSA-N 1 0 223.210 2.264 10 0 BEAERO Cc1nccn1[C@@H](C[NH3+])c1ccccc1C ZINC000043037727 179341961 /nfs/dbraw/zinc/34/19/61/179341961.db2.gz IDBZRGSQORSXPN-ZDUSSCGKSA-N 1 0 215.300 2.048 10 0 BEAERO Cc1ccccc1[C@H](CN)[N@H+](C)CC1CC1 ZINC000020225464 179342304 /nfs/dbraw/zinc/34/23/04/179342304.db2.gz XLQYYBCBPTUUPF-AWEZNQCLSA-N 1 0 218.344 2.337 10 0 BEAERO Cc1ccccc1[C@H](N)C[NH+]1CCCC1 ZINC000023071834 179342999 /nfs/dbraw/zinc/34/29/99/179342999.db2.gz XPEQDUBKWGJLRZ-CYBMUJFWSA-N 1 0 204.317 2.091 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])COC[C@@H]1CCCO1 ZINC000019394062 179343241 /nfs/dbraw/zinc/34/32/41/179343241.db2.gz VOBDFOVCKJPFBK-GXTWGEPZSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1ccccc1[C@H](O)C[NH+]1CCCC1 ZINC000019784864 179344813 /nfs/dbraw/zinc/34/48/13/179344813.db2.gz GULIVXAOHWMVQM-CYBMUJFWSA-N 1 0 205.301 2.124 10 0 BEAERO Cc1ccccc1[C@H](O)C[NH2+]C(C)(C)C ZINC000032011856 179345057 /nfs/dbraw/zinc/34/50/57/179345057.db2.gz SEPZATHUSRFQAJ-GFCCVEGCSA-N 1 0 207.317 2.417 10 0 BEAERO Cc1ccccc1[C@](C)([NH3+])Cc1cnn(C)c1 ZINC000050541654 179350277 /nfs/dbraw/zinc/35/02/77/179350277.db2.gz HRGRRYNICAWIEC-CQSZACIVSA-N 1 0 229.327 2.145 10 0 BEAERO Cc1ccccc1[C@](O)([C@H](C)[NH3+])C(F)(F)F ZINC000062784346 179351385 /nfs/dbraw/zinc/35/13/85/179351385.db2.gz LLEDXZSNQZQCRP-WCBMZHEXSA-N 1 0 233.233 2.092 10 0 BEAERO Cc1ccccc1[S@](=O)C[C@H]1CCC[NH2+]C1 ZINC000083296203 179352076 /nfs/dbraw/zinc/35/20/76/179352076.db2.gz YAXUWEAJDSDQSQ-LRDDRELGSA-N 1 0 237.368 2.102 10 0 BEAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])C[C@@H]2CC[C@@H](C2)C1 ZINC000725244353 537998049 /nfs/dbraw/zinc/99/80/49/537998049.db2.gz HTJAVCSWYYLCQA-YABSGUDNSA-N 1 0 239.359 2.483 10 0 BEAERO Cc1cccnc1CNCC[C@@H]1CCCC[N@H+]1C ZINC000071340134 179382120 /nfs/dbraw/zinc/38/21/20/179382120.db2.gz ASKVRENCCULRHP-AWEZNQCLSA-N 1 0 247.386 2.354 10 0 BEAERO CCC[C@@H]1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245096 538000613 /nfs/dbraw/zinc/00/06/13/538000613.db2.gz FCJGQMSBSSCIIV-WZRBSPASSA-N 1 0 209.333 2.381 10 0 BEAERO Cc1cccnc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050940743 179388728 /nfs/dbraw/zinc/38/87/28/179388728.db2.gz XOHUJCREDPKCLH-LBPRGKRZSA-N 1 0 247.342 2.251 10 0 BEAERO Cc1cccnc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050940746 179389160 /nfs/dbraw/zinc/38/91/60/179389160.db2.gz XOHUJCREDPKCLH-GFCCVEGCSA-N 1 0 247.342 2.251 10 0 BEAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCC(C)(C)C1 ZINC000725245555 538000766 /nfs/dbraw/zinc/00/07/66/538000766.db2.gz VWEXIMSEAAOSGT-ZDUSSCGKSA-N 1 0 227.348 2.483 10 0 BEAERO Cc1cccnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158365954 179395273 /nfs/dbraw/zinc/39/52/73/179395273.db2.gz JPPBQPKXWUUMQF-QWHCGFSZSA-N 1 0 231.343 2.429 10 0 BEAERO Cc1cccnc1OCC[C@H]1CCC[NH2+]C1 ZINC000051918429 179395751 /nfs/dbraw/zinc/39/57/51/179395751.db2.gz NMTHTRATTQENPW-GFCCVEGCSA-N 1 0 220.316 2.159 10 0 BEAERO Cc1cccnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250983772 179396503 /nfs/dbraw/zinc/39/65/03/179396503.db2.gz JPPBQPKXWUUMQF-OLZOCXBDSA-N 1 0 231.343 2.429 10 0 BEAERO Cc1ccn(-c2ccccc2[C@@H](C)[NH3+])n1 ZINC000052884400 179399767 /nfs/dbraw/zinc/39/97/67/179399767.db2.gz CBHRTGXYQSNCDC-SNVBAGLBSA-N 1 0 201.273 2.200 10 0 BEAERO C[C@@H]([NH3+])[C@H]1CCN(c2nccc3ccccc32)C1 ZINC000162196147 362899314 /nfs/dbraw/zinc/89/93/14/362899314.db2.gz DQHUKOJCUHJLQD-YPMHNXCESA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H]([NH3+])[C@@H]1CCN(c2nccc3ccccc32)C1 ZINC000162195924 362899573 /nfs/dbraw/zinc/89/95/73/362899573.db2.gz DQHUKOJCUHJLQD-DGCLKSJQSA-N 1 0 241.338 2.408 10 0 BEAERO Cc1cccnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250983773 179396196 /nfs/dbraw/zinc/39/61/96/179396196.db2.gz JPPBQPKXWUUMQF-STQMWFEESA-N 1 0 231.343 2.429 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccsc2)C[C@H]1C ZINC000251723524 362900679 /nfs/dbraw/zinc/90/06/79/362900679.db2.gz KACZYGXJGDNUAX-MWLCHTKSSA-N 1 0 210.346 2.182 10 0 BEAERO C[C@@H]1C[C@@H]2[NH2+]C(C)(C)CS[C@H]2[C@@H](C)O1 ZINC000251713301 362900843 /nfs/dbraw/zinc/90/08/43/362900843.db2.gz BSOLUVDUNCLHFZ-IMSYWVGJSA-N 1 0 215.362 2.036 10 0 BEAERO CCSC1(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000596065203 348436283 /nfs/dbraw/zinc/43/62/83/348436283.db2.gz GHGXRAYVAWRDGM-SNVBAGLBSA-N 1 0 231.405 2.269 10 0 BEAERO CC(C)[C@@H]1CC[C@H](O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246187 538005202 /nfs/dbraw/zinc/00/52/02/538005202.db2.gz RFLYRZHFFCKNJD-QNWHQSFQSA-N 1 0 211.349 2.029 10 0 BEAERO Cc1ccncc1CCC[NH2+][C@H]1C[C@@H]1C ZINC000309139661 179478824 /nfs/dbraw/zinc/47/88/24/179478824.db2.gz STKTVSXPIOPULS-AAEUAGOBSA-N 1 0 204.317 2.321 10 0 BEAERO CCC[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000054719012 348507480 /nfs/dbraw/zinc/50/74/80/348507480.db2.gz BNWZJULXIQOKFK-LLVKDONJSA-N 1 0 209.337 2.488 10 0 BEAERO Cc1ccsc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049506 179538344 /nfs/dbraw/zinc/53/83/44/179538344.db2.gz JMFGJKFNLWQQCL-VHSXEESVSA-N 1 0 238.356 2.056 10 0 BEAERO C[C@H]([NH3+])Cc1nc2cc(Cl)ccc2[nH]1 ZINC000037436797 348582407 /nfs/dbraw/zinc/58/24/07/348582407.db2.gz JFKRKBQQECQEQD-LURJTMIESA-N 1 0 209.680 2.106 10 0 BEAERO Cc1cccc(-c2nc([C@@H]3CC[NH2+]C3)no2)c1 ZINC000216412902 350000168 /nfs/dbraw/zinc/00/01/68/350000168.db2.gz WSBHYUGMIJDIDH-LLVKDONJSA-N 1 0 229.283 2.122 10 0 BEAERO Cc1ccc(N2CC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000037483552 348621267 /nfs/dbraw/zinc/62/12/67/348621267.db2.gz WNERNGLLHIQBEI-SECBINFHSA-N 1 0 210.708 2.186 10 0 BEAERO Cc1c2c(ccc1Cl)[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725247084 538012245 /nfs/dbraw/zinc/01/22/45/538012245.db2.gz GUUNLCLDKACBFW-GXSJLCMTSA-N 1 0 208.692 2.043 10 0 BEAERO Cc1nc(N[C@H](CC[NH3+])C(F)F)sc1C ZINC000383518001 348869569 /nfs/dbraw/zinc/86/95/69/348869569.db2.gz UNDHGUSLUUETHO-SSDOTTSWSA-N 1 0 235.303 2.154 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1ccccc1C ZINC000054075301 348877764 /nfs/dbraw/zinc/87/77/64/348877764.db2.gz AVDAUUFKIPBFHK-OCCSQVGLSA-N 1 0 246.354 2.266 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000070409703 350001599 /nfs/dbraw/zinc/00/15/99/350001599.db2.gz QVKLDBQHDFCOIM-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1OC(C)C ZINC000054072798 348888489 /nfs/dbraw/zinc/88/84/89/348888489.db2.gz PUZAURSLIUNWKB-SNVBAGLBSA-N 1 0 236.315 2.020 10 0 BEAERO CCN(C(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290220 348962223 /nfs/dbraw/zinc/96/22/23/348962223.db2.gz NNSNYNKQVRACFV-CYBMUJFWSA-N 1 0 246.354 2.429 10 0 BEAERO CC[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000054290922 348962920 /nfs/dbraw/zinc/96/29/20/348962920.db2.gz XPCFAHFNWLSRAO-CHWSQXEVSA-N 1 0 238.375 2.025 10 0 BEAERO Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291015 348963031 /nfs/dbraw/zinc/96/30/31/348963031.db2.gz SZJFVNDGZGRXTR-ZDUSSCGKSA-N 1 0 246.354 2.001 10 0 BEAERO Cc1cnn(Cc2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000052576970 179743373 /nfs/dbraw/zinc/74/33/73/179743373.db2.gz KUWCLCHAULKKAD-UHFFFAOYSA-N 1 0 241.338 2.492 10 0 BEAERO CCCC(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616573578 349069942 /nfs/dbraw/zinc/06/99/42/349069942.db2.gz ZUVHEUWJDSGKAC-LBPRGKRZSA-N 1 0 238.375 2.297 10 0 BEAERO COCCC[NH2+]Cc1c(C)ccc(N)c1C ZINC000616574734 349081356 /nfs/dbraw/zinc/08/13/56/349081356.db2.gz XCMFTZIIQGVKAA-UHFFFAOYSA-N 1 0 222.332 2.012 10 0 BEAERO Cc1cccc(C[NH3+])c1OC(F)(F)F ZINC000616575260 349089892 /nfs/dbraw/zinc/08/98/92/349089892.db2.gz BFVNQTBEHMDWKG-UHFFFAOYSA-N 1 0 205.179 2.352 10 0 BEAERO CCC(CC)[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616579119 349131240 /nfs/dbraw/zinc/13/12/40/349131240.db2.gz QXHXOXJWPAJNFL-ZDUSSCGKSA-N 1 0 222.376 2.391 10 0 BEAERO CCOc1c(C[NH3+])cccc1OC(F)(F)F ZINC000616579338 349134604 /nfs/dbraw/zinc/13/46/04/349134604.db2.gz BRPUCZBJDLUNNP-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO Cc1csc2ccc(CC[NH3+])c(O)c12 ZINC000082941387 179799473 /nfs/dbraw/zinc/79/94/73/179799473.db2.gz AHNWAULAYNEKKN-UHFFFAOYSA-N 1 0 207.298 2.417 10 0 BEAERO CCC(C)(C)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000616580602 349258014 /nfs/dbraw/zinc/25/80/14/349258014.db2.gz YXDQMSMFUBMXIS-NEPJUHHUSA-N 1 0 242.432 2.344 10 0 BEAERO CCOc1ccc(C[NH3+])c(OC(F)(F)F)c1 ZINC000616580575 349258036 /nfs/dbraw/zinc/25/80/36/349258036.db2.gz YYXDIOFNKZOABH-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO CCCC[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616580593 349258224 /nfs/dbraw/zinc/25/82/24/349258224.db2.gz YSBFENRTYOBBQL-GFCCVEGCSA-N 1 0 208.349 2.003 10 0 BEAERO FC1(C[NH2+]C[C@H]2CCCO2)CCCC1 ZINC000616580936 349262676 /nfs/dbraw/zinc/26/26/76/349262676.db2.gz ACBYRBSCGQZDOU-SNVBAGLBSA-N 1 0 201.285 2.037 10 0 BEAERO Fc1cc2[nH]c3c(c2c(F)c1F)CC[NH2+]C3 ZINC000725253740 538039408 /nfs/dbraw/zinc/03/94/08/538039408.db2.gz JKRJPOSMXDIUEC-UHFFFAOYSA-N 1 0 226.201 2.231 10 0 BEAERO CC1(C)CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000061821082 349405930 /nfs/dbraw/zinc/40/59/30/349405930.db2.gz XBJXABVLKOZRJH-GFCCVEGCSA-N 1 0 238.375 2.025 10 0 BEAERO Cc1nc(C)n([C@@H](C)CCC[NH2+]CC(C)C)n1 ZINC000052574452 179923410 /nfs/dbraw/zinc/92/34/10/179923410.db2.gz VDBVNKLYOJHNID-NSHDSACASA-N 1 0 238.379 2.482 10 0 BEAERO Cc1cc([C@H]2C[C@H]([NH3+])CCN2C)ccc1F ZINC000211555488 538046384 /nfs/dbraw/zinc/04/63/84/538046384.db2.gz LERJWVPZCZSJGP-DGCLKSJQSA-N 1 0 222.307 2.228 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ncnc2ccccc21 ZINC000070463623 350014161 /nfs/dbraw/zinc/01/41/61/350014161.db2.gz DOLQJCBBRVXEIL-LLVKDONJSA-N 1 0 230.315 2.025 10 0 BEAERO CC1=C[C@H](C)C(=O)N(CCC[NH+](C)C)C(C)=C1 ZINC000002039338 350079785 /nfs/dbraw/zinc/07/97/85/350079785.db2.gz MJDPXTVTSLCLLC-LBPRGKRZSA-N 1 0 236.359 2.267 10 0 BEAERO Cc1cn(C2(C[NH3+])CCC(F)(F)CC2)cn1 ZINC000217349679 350050690 /nfs/dbraw/zinc/05/06/90/350050690.db2.gz FVKXSVYSVJMYHW-UHFFFAOYSA-N 1 0 229.274 2.055 10 0 BEAERO CC[N@@H+]1CCCC[C@@H]1c1ccccc1C(N)=O ZINC000616613784 350066804 /nfs/dbraw/zinc/06/68/04/350066804.db2.gz ALVBSCJHSBYISD-CYBMUJFWSA-N 1 0 232.327 2.332 10 0 BEAERO CC(C)(C)CC[C@](C)([NH3+])c1ncccn1 ZINC000725255069 538050045 /nfs/dbraw/zinc/05/00/45/538050045.db2.gz QKIDRHNVRRAVAR-LBPRGKRZSA-N 1 0 207.321 2.477 10 0 BEAERO CC[C@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000022129298 350113568 /nfs/dbraw/zinc/11/35/68/350113568.db2.gz QFGSYQTVDDVXPZ-LLVKDONJSA-N 1 0 210.346 2.104 10 0 BEAERO Cc1nc(N2CCCC2)nc(C)c1C[NH2+]C(C)C ZINC000054854327 180001202 /nfs/dbraw/zinc/00/12/02/180001202.db2.gz PDUFUEXIBPOSIT-UHFFFAOYSA-N 1 0 248.374 2.192 10 0 BEAERO C[C@@H](c1ccccc1)[C@H]([NH3+])c1ncccn1 ZINC000725255288 538050461 /nfs/dbraw/zinc/05/04/61/538050461.db2.gz YRACVUZZXYMIFW-JQWIXIFHSA-N 1 0 213.284 2.280 10 0 BEAERO Cc1nc(N2CCC[C@@H](C)C2)sc1C[NH3+] ZINC000054995548 180002926 /nfs/dbraw/zinc/00/29/26/180002926.db2.gz JJKIILUXHFFTFE-MRVPVSSYSA-N 1 0 225.361 2.147 10 0 BEAERO C[C@@H](Cc1ccccc1)N1CCC[C@@H]([NH3+])C1 ZINC000218353727 350089948 /nfs/dbraw/zinc/08/99/48/350089948.db2.gz CEVQEUCFYMODHT-GXTWGEPZSA-N 1 0 218.344 2.041 10 0 BEAERO Cc1nc(N[C@@H]2CCC[NH2+]C2)cc(C(C)C)n1 ZINC000045955244 180022061 /nfs/dbraw/zinc/02/20/61/180022061.db2.gz KNEHGQBFMWWELL-LLVKDONJSA-N 1 0 234.347 2.072 10 0 BEAERO Cc1nc(N[C@H]2CCC[NH2+]C2)cc(C(C)C)n1 ZINC000045955247 180025020 /nfs/dbraw/zinc/02/50/20/180025020.db2.gz KNEHGQBFMWWELL-NSHDSACASA-N 1 0 234.347 2.072 10 0 BEAERO Cc1[nH+]c([C@@H](C)c2ccccc2)c(N)n1C ZINC000104912094 180039647 /nfs/dbraw/zinc/03/96/47/180039647.db2.gz RWLQIDMTWSFBSF-VIFPVBQESA-N 1 0 215.300 2.463 10 0 BEAERO Cc1nc([C@@H]([NH3+])Cc2ccccc2)[nH]c1C ZINC000036873968 180039692 /nfs/dbraw/zinc/03/96/92/180039692.db2.gz PFGRACVBXDCHKR-LBPRGKRZSA-N 1 0 215.300 2.269 10 0 BEAERO Cc1nc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cs1 ZINC000096962511 180041635 /nfs/dbraw/zinc/04/16/35/180041635.db2.gz TVEBAXSIHJJOOZ-AAEUAGOBSA-N 1 0 248.351 2.055 10 0 BEAERO Cc1nc([C@@]2([NH3+])CCCSC2)sc1C ZINC000061590698 180046881 /nfs/dbraw/zinc/04/68/81/180046881.db2.gz MTWYYMYSIAAZGA-SNVBAGLBSA-N 1 0 228.386 2.441 10 0 BEAERO CC1(C[N@@H+]2CCN3CCCC[C@@H]3C2)CCC1 ZINC000219371596 350124477 /nfs/dbraw/zinc/12/44/77/350124477.db2.gz LTOBOXNBJONHFU-CYBMUJFWSA-N 1 0 222.376 2.347 10 0 BEAERO C=Cn1cc(C[NH2+][C@H]2C[C@@H]2CCC)cn1 ZINC000219389497 350125325 /nfs/dbraw/zinc/12/53/25/350125325.db2.gz KXRRXVYUCNLLHW-RYUDHWBXSA-N 1 0 205.305 2.262 10 0 BEAERO C[C@@H](CC[NH2+]Cc1ccc(F)cc1)[S@@](C)=O ZINC000132575239 191033634 /nfs/dbraw/zinc/03/36/34/191033634.db2.gz WPPUYROIJFTKKP-QFYYESIMSA-N 1 0 243.347 2.072 10 0 BEAERO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C)C1)[S@](C)=O ZINC000132602482 191033716 /nfs/dbraw/zinc/03/37/16/191033716.db2.gz BQUVSRKYTUOELJ-MCYUEQNJSA-N 1 0 231.405 2.312 10 0 BEAERO Cc1[nH]c2cc(Br)c(N)cc2[nH+]1 ZINC000082360174 180075795 /nfs/dbraw/zinc/07/57/95/180075795.db2.gz GNKQZSUIRICSDH-UHFFFAOYSA-N 1 0 226.077 2.216 10 0 BEAERO Cc1[nH+]c2ccc(C(F)(F)F)cn2c1N ZINC000074543218 180091597 /nfs/dbraw/zinc/09/15/97/180091597.db2.gz USEIIOMSMSPOEL-UHFFFAOYSA-N 1 0 215.178 2.244 10 0 BEAERO Cc1nc2c(cc1C(F)(F)F)C[NH2+]C2 ZINC000091364332 180069444 /nfs/dbraw/zinc/06/94/44/180069444.db2.gz WAPDPTLFRAPPPO-UHFFFAOYSA-N 1 0 202.179 2.012 10 0 BEAERO Cc1ccsc1C[NH2+]CC1(CCO)CC1 ZINC000133072388 191036718 /nfs/dbraw/zinc/03/67/18/191036718.db2.gz VAZQZCJXHNZYMF-UHFFFAOYSA-N 1 0 225.357 2.309 10 0 BEAERO C[C@@H](C[NH3+])[C@H](O)c1ccccc1Br ZINC000083021565 538062287 /nfs/dbraw/zinc/06/22/87/538062287.db2.gz RHTSXROVQGNOCY-XVKPBYJWSA-N 1 0 244.132 2.077 10 0 BEAERO C[C@H](CC(N)=O)[NH2+]CC1(C)CCCCCC1 ZINC000133655441 191042134 /nfs/dbraw/zinc/04/21/34/191042134.db2.gz WGFWLUQSUGOISK-LLVKDONJSA-N 1 0 226.364 2.200 10 0 BEAERO C[C@H](C[NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000083021605 538062299 /nfs/dbraw/zinc/06/22/99/538062299.db2.gz HOQPOWQDHWWGMD-XCBNKYQSSA-N 1 0 244.132 2.077 10 0 BEAERO Cc1nc2ccccc2n1CCCC[NH3+] ZINC000006188042 180104198 /nfs/dbraw/zinc/10/41/98/180104198.db2.gz DDUPJKYZRAEBKA-UHFFFAOYSA-N 1 0 203.289 2.084 10 0 BEAERO c1ccc([C@@H]2OC[C@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000031703253 350171660 /nfs/dbraw/zinc/17/16/60/350171660.db2.gz XKGUUISNOPCNKA-MGPQQGTHSA-N 1 0 233.311 2.243 10 0 BEAERO Cc1ncc(C[NH2+][C@@H]2CCCCC[C@@H]2O)s1 ZINC000040997924 180155745 /nfs/dbraw/zinc/15/57/45/180155745.db2.gz UJAOTFWMSYJIIQ-NEPJUHHUSA-N 1 0 240.372 2.235 10 0 BEAERO Cc1[nH+]cc(N(C)C)n1-c1ccccc1 ZINC000039104999 180164389 /nfs/dbraw/zinc/16/43/89/180164389.db2.gz FKADWEUNBPGPDA-UHFFFAOYSA-N 1 0 201.273 2.247 10 0 BEAERO Cc1ncc(C[NH+]2CCC([C@@H](C)O)CC2)s1 ZINC000111288685 180144660 /nfs/dbraw/zinc/14/46/60/180144660.db2.gz HDLDDENFXHCEOU-SECBINFHSA-N 1 0 240.372 2.044 10 0 BEAERO Cc1ccsc1C[NH2+]Cc1ccnc(C)n1 ZINC000037997780 180190647 /nfs/dbraw/zinc/19/06/47/180190647.db2.gz IPCGHDOGGKWMPD-UHFFFAOYSA-N 1 0 233.340 2.445 10 0 BEAERO Cc1nccc(C[NH2+]CC2CCCCC2)n1 ZINC000037997788 180189362 /nfs/dbraw/zinc/18/93/62/180189362.db2.gz WMETWTNQKWHXHK-UHFFFAOYSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccn(C)c1 ZINC000126366119 191083226 /nfs/dbraw/zinc/08/32/26/191083226.db2.gz NTKAPCOSIFOKSP-KBPBESRZSA-N 1 0 236.359 2.176 10 0 BEAERO C=Cc1cncc(C[C@H]2CCC[N@@H+](CC)C2)n1 ZINC000725261725 538086831 /nfs/dbraw/zinc/08/68/31/538086831.db2.gz DQJMVRIZSLPXCD-GFCCVEGCSA-N 1 0 231.343 2.394 10 0 BEAERO CCCC1(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384251078 350270888 /nfs/dbraw/zinc/27/08/88/350270888.db2.gz MGIQREKRLSREIL-NWDGAFQWSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1nccn1[C@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043124119 180270722 /nfs/dbraw/zinc/27/07/22/180270722.db2.gz GNFCWGAHTBUQKH-KWQFWETISA-N 1 0 221.329 2.190 10 0 BEAERO Cc1ncn([C@H]2CCCCC[C@@H]2[NH3+])c1C ZINC000051926504 180288587 /nfs/dbraw/zinc/28/85/87/180288587.db2.gz VXNNSWQIHMITJY-RYUDHWBXSA-N 1 0 207.321 2.332 10 0 BEAERO Cc1ncn([C@H]([C@H](C)[NH3+])C(C)(C)C)c1C ZINC000051925569 180289194 /nfs/dbraw/zinc/28/91/94/180289194.db2.gz DVYJMLBASGHKHK-GZMMTYOYSA-N 1 0 209.337 2.434 10 0 BEAERO Cc1ncn([C@@H](C)C[NH2+]C(C)(C)C)c1C ZINC000052593785 180289671 /nfs/dbraw/zinc/28/96/71/180289671.db2.gz QJDXAFJQNAVONB-VIFPVBQESA-N 1 0 209.337 2.449 10 0 BEAERO Cc1nccnc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097830167 180278166 /nfs/dbraw/zinc/27/81/66/180278166.db2.gz OITPNRVTVQRNTE-UHFFFAOYSA-N 1 0 240.310 2.000 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000219113872 180283602 /nfs/dbraw/zinc/28/36/02/180283602.db2.gz JXZDRMIRQABUKB-LSJOCFKGSA-N 1 0 205.305 2.092 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000219114006 180284374 /nfs/dbraw/zinc/28/43/74/180284374.db2.gz JXZDRMIRQABUKB-INTQDDNPSA-N 1 0 205.305 2.092 10 0 BEAERO Cc1nn(-c2ccccc2)c2ncc(C[NH3+])cc12 ZINC000104321606 180331074 /nfs/dbraw/zinc/33/10/74/180331074.db2.gz LSNKCHQZDWZERP-UHFFFAOYSA-N 1 0 238.294 2.188 10 0 BEAERO Cc1nn(-c2ccccc2F)c(C)c1CC[NH3+] ZINC000041260612 180331104 /nfs/dbraw/zinc/33/11/04/180331104.db2.gz QXXZFILRFFGCEU-UHFFFAOYSA-N 1 0 233.290 2.129 10 0 BEAERO Cc1ncsc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000164623448 180324369 /nfs/dbraw/zinc/32/43/69/180324369.db2.gz OAWLGERVHJYTCE-MNOVXSKESA-N 1 0 240.372 2.092 10 0 BEAERO C[C@]1(C(=O)c2cccc(F)c2)CCC[NH2+]1 ZINC000226491950 350436667 /nfs/dbraw/zinc/43/66/67/350436667.db2.gz VIKQZTVPWDQCDC-GFCCVEGCSA-N 1 0 207.248 2.151 10 0 BEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000045172930 180348922 /nfs/dbraw/zinc/34/89/22/180348922.db2.gz URKWWFQWIJTTDW-KWQFWETISA-N 1 0 221.348 2.486 10 0 BEAERO CC(C)Nc1[nH+]c(NN)c(Cl)cc1Cl ZINC000226648876 350445172 /nfs/dbraw/zinc/44/51/72/350445172.db2.gz WVXFLXVNLGPMLC-UHFFFAOYSA-N 1 0 235.118 2.494 10 0 BEAERO C[NH2+][C@@H]1CC[C@@H](Cc2nccs2)[C@@H]1C ZINC000226740162 350450867 /nfs/dbraw/zinc/45/08/67/350450867.db2.gz HKKNCUHKRYHPML-LPEHRKFASA-N 1 0 210.346 2.320 10 0 BEAERO CC1(C)CCc2[nH]nc(C3=CC[NH2+]CC3)c2C1 ZINC000725265433 538093078 /nfs/dbraw/zinc/09/30/78/538093078.db2.gz CQRWRAATNHUYOL-UHFFFAOYSA-N 1 0 231.343 2.301 10 0 BEAERO Cc1nn(C)c(Sc2ccccc2)c1CC[NH3+] ZINC000104290163 180361017 /nfs/dbraw/zinc/36/10/17/180361017.db2.gz HDTLPJAAMCCGRK-UHFFFAOYSA-N 1 0 247.367 2.381 10 0 BEAERO C[C@H](Cc1ccccc1)[NH+]1CCC(CO)CC1 ZINC000409423083 350474741 /nfs/dbraw/zinc/47/47/41/350474741.db2.gz LLOUSAPWJOGERG-CYBMUJFWSA-N 1 0 233.355 2.322 10 0 BEAERO [NH2+]=C(NO)[C@@H](Cc1ccccc1)n1cccc1 ZINC000409442456 350483012 /nfs/dbraw/zinc/48/30/12/350483012.db2.gz VJEVCDBNUXBGJG-GFCCVEGCSA-N 1 0 229.283 2.228 10 0 BEAERO [NH3+]Cc1cc(C(F)(F)F)nn1C1CCCC1 ZINC000409444005 350483113 /nfs/dbraw/zinc/48/31/13/350483113.db2.gz YJTIBONSALJFAP-UHFFFAOYSA-N 1 0 233.237 2.476 10 0 BEAERO NC(=[NH2+])c1cc(-c2ccccc2)nn1C(F)F ZINC000409443944 350483545 /nfs/dbraw/zinc/48/35/45/350483545.db2.gz XCKHULHQKAHBAM-UHFFFAOYSA-N 1 0 236.225 2.229 10 0 BEAERO Cc1nn([C@H](C[NH3+])c2cccc(F)c2)c(C)c1C ZINC000042973240 180393048 /nfs/dbraw/zinc/39/30/48/180393048.db2.gz LBYQMICKSVDPJQ-CQSZACIVSA-N 1 0 247.317 2.496 10 0 BEAERO Cc1nn([C@H](C)C[NH2+]C(C)C)c(C)c1C ZINC000052591736 180393401 /nfs/dbraw/zinc/39/34/01/180393401.db2.gz RBSLPRMPVRKANM-SECBINFHSA-N 1 0 209.337 2.367 10 0 BEAERO Cc1nn(CC2CCCC2)c(C)c1C[NH3+] ZINC000042375129 180386493 /nfs/dbraw/zinc/38/64/93/180386493.db2.gz XOXADOSSSZAHOE-UHFFFAOYSA-N 1 0 207.321 2.149 10 0 BEAERO Cc1nn(CCC[C@H]2CCC[NH2+]2)c(C)c1C ZINC000052764885 180388096 /nfs/dbraw/zinc/38/80/96/180388096.db2.gz FEGBSCCAJQEGDU-CYBMUJFWSA-N 1 0 221.348 2.341 10 0 BEAERO Cc1nn(C[C@H]2CCCCO2)c(C)c1[C@H](C)[NH3+] ZINC000054716490 180391029 /nfs/dbraw/zinc/39/10/29/180391029.db2.gz SONWFZJNTAPISA-JOYOIKCWSA-N 1 0 237.347 2.089 10 0 BEAERO C[C@@H]1CC[C@H](C)N1Cc1nnc(C2CC2)n1C ZINC000177092204 365968291 /nfs/dbraw/zinc/96/82/91/365968291.db2.gz ITQKJGFJCDOPOY-AOOOYVTPSA-N 1 0 234.347 2.065 10 0 BEAERO Oc1ccc(SC[C@H]2CC[NH2+]C2)cc1 ZINC000051891071 350559900 /nfs/dbraw/zinc/55/99/00/350559900.db2.gz TWGNXRQTBLKSEN-VIFPVBQESA-N 1 0 209.314 2.094 10 0 BEAERO c1ccc2c(c1)ccnc2[C@H]1CC[NH2+]CCO1 ZINC000616593380 350580639 /nfs/dbraw/zinc/58/06/39/350580639.db2.gz JLAAAAUDSDTIER-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2ccc(N)cc2)CC1 ZINC000616593671 350583598 /nfs/dbraw/zinc/58/35/98/350583598.db2.gz KYSPAMASDONYJQ-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2cccc(CO)c2)CC1 ZINC000616594310 350593907 /nfs/dbraw/zinc/59/39/07/350593907.db2.gz QAAGNFYLAVAAPK-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO c1cc2ccncc2c([C@H]2CC[NH2+]CCO2)c1 ZINC000616594881 350596187 /nfs/dbraw/zinc/59/61/87/350596187.db2.gz RVGGKDJHUXFQNX-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC[C@@H](C)CN(CC)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648771 350596797 /nfs/dbraw/zinc/59/67/97/350596797.db2.gz KEJITIVONWQWNV-JHJVBQTASA-N 1 0 240.391 2.269 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000094648099 350598296 /nfs/dbraw/zinc/59/82/96/350598296.db2.gz GXDKXZQXFYQKCT-QNWHQSFQSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](C)C[C@H]1C ZINC000094648141 350598492 /nfs/dbraw/zinc/59/84/92/350598492.db2.gz RUWRVFWAUKFPRJ-UMSGYPCISA-N 1 0 238.375 2.022 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@@H](C)c1cc(F)cc(F)c1 ZINC000725266976 538097455 /nfs/dbraw/zinc/09/74/55/538097455.db2.gz OOCBSCWJFFUUPK-NXEZZACHSA-N 1 0 243.297 2.286 10 0 BEAERO CC(=O)Nc1cccc([C@H]2CC[N@H+](C)CCO2)c1 ZINC000616595844 350611538 /nfs/dbraw/zinc/61/15/38/350611538.db2.gz ZBJSMSFRWUVSPT-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cncnc1 ZINC000616596578 350633259 /nfs/dbraw/zinc/63/32/59/350633259.db2.gz BKXXBSGIUUFYDY-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000112075770 350652496 /nfs/dbraw/zinc/65/24/96/350652496.db2.gz NCZGYXBOIYVRSP-LBPRGKRZSA-N 1 0 246.358 2.250 10 0 BEAERO Cc1cc(Br)cc(NCC[NH3+])c1 ZINC000232066863 350652783 /nfs/dbraw/zinc/65/27/83/350652783.db2.gz HSVSLIGWIYDQIT-UHFFFAOYSA-N 1 0 229.121 2.128 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1ccccc1CCO ZINC000616597724 350652960 /nfs/dbraw/zinc/65/29/60/350652960.db2.gz JDCHZHOYRBXXKL-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccccn1 ZINC000616598131 350654801 /nfs/dbraw/zinc/65/48/01/350654801.db2.gz FZYWDWBYAYWJDE-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1cccc2ccnnc21 ZINC000616598424 350669195 /nfs/dbraw/zinc/66/91/95/350669195.db2.gz AEGYTYCWBFEMKT-CYBMUJFWSA-N 1 0 243.310 2.023 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccccc1CCO ZINC000616598443 350671023 /nfs/dbraw/zinc/67/10/23/350671023.db2.gz ATVCUXCHQWBQFJ-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO Cc1noc(C[NH2+][C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)n1 ZINC000216482753 180489888 /nfs/dbraw/zinc/48/98/88/180489888.db2.gz VATJTWICNODKCL-NZEXEKPDSA-N 1 0 247.342 2.292 10 0 BEAERO c1cc2ccncc2c([C@H]2COCCC[NH2+]2)c1 ZINC000616599726 350755179 /nfs/dbraw/zinc/75/51/79/350755179.db2.gz OBIYSAWXUJYXJC-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO O=C1SC[C@@H]2N1CCC[NH2+]C21CCCCC1 ZINC000005006832 191121339 /nfs/dbraw/zinc/12/13/39/191121339.db2.gz PDUXQYOMACFBNY-JTQLQIEISA-N 1 0 240.372 2.220 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ncccn2)CC1 ZINC000616601770 350786429 /nfs/dbraw/zinc/78/64/29/350786429.db2.gz NDJDCUIBCORGNJ-NSHDSACASA-N 1 0 205.305 2.066 10 0 BEAERO C[NH2+][C@@H](C)Cc1nc2ccccc2s1 ZINC000063033998 350786533 /nfs/dbraw/zinc/78/65/33/350786533.db2.gz CRVOODMNJJHCKZ-QMMMGPOBSA-N 1 0 206.314 2.447 10 0 BEAERO COc1ccccc1[C@H]1CCCCN(CC[NH3+])C1 ZINC000616603082 350789343 /nfs/dbraw/zinc/78/93/43/350789343.db2.gz ASHXIAXBERZYGY-ZDUSSCGKSA-N 1 0 248.370 2.223 10 0 BEAERO COc1ccccc1[C@H]1CCCC[N@H+](CCO)C1 ZINC000616603008 350789352 /nfs/dbraw/zinc/78/93/52/350789352.db2.gz AHHPNLWSNWGSES-ZDUSSCGKSA-N 1 0 249.354 2.257 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1cncc2ccccc21 ZINC000616603156 350789377 /nfs/dbraw/zinc/78/93/77/350789377.db2.gz FLQYHTYRLHAZQW-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2ccccc2CO)C1 ZINC000616603459 350790039 /nfs/dbraw/zinc/79/00/39/350790039.db2.gz UTICSYVITFYRDD-LBPRGKRZSA-N 1 0 219.328 2.378 10 0 BEAERO CCN1CC[NH2+][C@H](c2cncc3ccccc32)C1 ZINC000616602629 350791739 /nfs/dbraw/zinc/79/17/39/350791739.db2.gz MADLUWMLKTYRKF-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO COc1ccccc1[C@@H]1CCCC[N@H+](CCO)C1 ZINC000616604069 350792498 /nfs/dbraw/zinc/79/24/98/350792498.db2.gz AHHPNLWSNWGSES-CYBMUJFWSA-N 1 0 249.354 2.257 10 0 BEAERO CCN1CC[NH2+][C@H](c2ccnc3ccccc32)C1 ZINC000616604594 350793381 /nfs/dbraw/zinc/79/33/81/350793381.db2.gz WVUPSSZIDSMOLH-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2ccc(N)nc2)C1 ZINC000616604881 350793460 /nfs/dbraw/zinc/79/34/60/350793460.db2.gz SEMRBCFKZGZWHM-ZDUSSCGKSA-N 1 0 233.359 2.472 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2cncnc2)C1 ZINC000616605347 350795061 /nfs/dbraw/zinc/79/50/61/350795061.db2.gz YVKHCAOUEZIYIZ-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO OCc1cccc([C@H]2CCCC[NH2+]C2)c1 ZINC000616605859 350795902 /nfs/dbraw/zinc/79/59/02/350795902.db2.gz XITPELQFRQYKDU-ZDUSSCGKSA-N 1 0 205.301 2.036 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1cncnc1 ZINC000616607543 350801153 /nfs/dbraw/zinc/80/11/53/350801153.db2.gz JWEZMFYSBWMWOZ-NSHDSACASA-N 1 0 205.305 2.412 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2cncnc2)CC1 ZINC000616609582 350803706 /nfs/dbraw/zinc/80/37/06/350803706.db2.gz CFWFDDDEKFZSRO-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2cccnc2N)CC1 ZINC000616609682 350803753 /nfs/dbraw/zinc/80/37/53/350803753.db2.gz GRXDKLMTQWOCRO-LLVKDONJSA-N 1 0 219.332 2.253 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616608255 350804330 /nfs/dbraw/zinc/80/43/30/350804330.db2.gz QNIJBTVGMXWHEC-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1ccc2ccccc2n1 ZINC000616608488 350804422 /nfs/dbraw/zinc/80/44/22/350804422.db2.gz UENPJUYQRRDUIK-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccnnc1 ZINC000616608378 350804574 /nfs/dbraw/zinc/80/45/74/350804574.db2.gz SENABEAXUDADPG-LLVKDONJSA-N 1 0 205.305 2.412 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccccc2C(N)=O)CC1 ZINC000616610423 350805346 /nfs/dbraw/zinc/80/53/46/350805346.db2.gz ITXLUCQCORVVLC-GFCCVEGCSA-N 1 0 246.354 2.375 10 0 BEAERO c1ccc2c(c1)nncc2[C@@H]1CCC[NH2+]C1 ZINC000616610990 350806468 /nfs/dbraw/zinc/80/64/68/350806468.db2.gz PJKDIXXSNVGLSJ-SNVBAGLBSA-N 1 0 213.284 2.097 10 0 BEAERO C[N@@H+]1CC[C@H](c2cnnc3ccccc32)C1 ZINC000616610202 350808713 /nfs/dbraw/zinc/80/87/13/350808713.db2.gz KOQIEQCTNFSGQK-JTQLQIEISA-N 1 0 213.284 2.049 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616611285 350810847 /nfs/dbraw/zinc/81/08/47/350810847.db2.gz AJXVQDYOFAAJMK-CYBMUJFWSA-N 1 0 205.301 2.336 10 0 BEAERO CNc1cccc([C@H]2CCCCN2CC[NH3+])c1 ZINC000616614411 350832723 /nfs/dbraw/zinc/83/27/23/350832723.db2.gz DWYOSRKLVVIBRW-CQSZACIVSA-N 1 0 233.359 2.214 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2cccc(CCO)c2)C1 ZINC000616614608 350835448 /nfs/dbraw/zinc/83/54/48/350835448.db2.gz RSTKJEGIZUVFFN-OAHLLOKOSA-N 1 0 233.355 2.419 10 0 BEAERO C[N@@H+]1CCCC[C@H]1c1cccc(CO)c1 ZINC000616615049 350844552 /nfs/dbraw/zinc/84/45/52/350844552.db2.gz AJXVQDYOFAAJMK-ZDUSSCGKSA-N 1 0 205.301 2.336 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccnnc1 ZINC000616615215 350845460 /nfs/dbraw/zinc/84/54/60/350845460.db2.gz GMXBVYCFHADBIJ-LBPRGKRZSA-N 1 0 205.305 2.412 10 0 BEAERO c1ccc2c(c1)nncc2[C@@H]1CCCC[NH2+]1 ZINC000616615714 350848774 /nfs/dbraw/zinc/84/87/74/350848774.db2.gz VWRWGOUXSOTMKE-LBPRGKRZSA-N 1 0 213.284 2.444 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1c1cncnc1 ZINC000616615773 350850437 /nfs/dbraw/zinc/85/04/37/350850437.db2.gz RZUABZOOMHZXAU-LBPRGKRZSA-N 1 0 205.305 2.412 10 0 BEAERO CC[N@@H+]1CCCC[C@H]1c1cccc(N)n1 ZINC000616615820 350851379 /nfs/dbraw/zinc/85/13/79/350851379.db2.gz UJNINOZFZRJCAV-NSHDSACASA-N 1 0 205.305 2.211 10 0 BEAERO COc1nc(C2=C[C@@H]([NH3+])CCC2)cs1 ZINC000306709000 350856017 /nfs/dbraw/zinc/85/60/17/350856017.db2.gz OPBGUCMUJFKJEJ-QMMMGPOBSA-N 1 0 210.302 2.046 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccccc2N)C1 ZINC000616616996 350859119 /nfs/dbraw/zinc/85/91/19/350859119.db2.gz ALJMIETTZYAZLK-NSHDSACASA-N 1 0 204.317 2.468 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2cccc(CCO)c2)C1 ZINC000616617125 350861758 /nfs/dbraw/zinc/86/17/58/350861758.db2.gz ICCPJWYXQLKJSJ-HNNXBMFYSA-N 1 0 233.355 2.421 10 0 BEAERO CCNC(=[NH2+])Nc1cccc(SC)c1 ZINC000052069157 350902679 /nfs/dbraw/zinc/90/26/79/350902679.db2.gz KOAZOTSAOFPGIS-UHFFFAOYSA-N 1 0 209.318 2.365 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2c[nH]cn2)C1 ZINC000616618491 350914587 /nfs/dbraw/zinc/91/45/87/350914587.db2.gz XDZHNYKJNSXZAV-JTQLQIEISA-N 1 0 207.321 2.388 10 0 BEAERO CC(C)[NH+]1CCC(c2ccc(C(N)=O)cc2)CC1 ZINC000616618985 350926102 /nfs/dbraw/zinc/92/61/02/350926102.db2.gz BNZFJQPQCGPNJG-UHFFFAOYSA-N 1 0 246.354 2.373 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2ccnnc2)CC1 ZINC000616619902 350928611 /nfs/dbraw/zinc/92/86/11/350928611.db2.gz SIAJARQZJFFCHO-UHFFFAOYSA-N 1 0 219.332 2.455 10 0 BEAERO CCn1cc[nH+]c1N[C@@H]1CS[C@@H](C)C1 ZINC000306746321 350934275 /nfs/dbraw/zinc/93/42/75/350934275.db2.gz JZUUNDXPRAHMHH-IUCAKERBSA-N 1 0 211.334 2.209 10 0 BEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CCCF ZINC000306746572 350934305 /nfs/dbraw/zinc/93/43/05/350934305.db2.gz BTZKSRRMAYXOIH-JTQLQIEISA-N 1 0 248.342 2.096 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1C[C@H]2CCC[C@@H]2C1 ZINC000306747900 350934852 /nfs/dbraw/zinc/93/48/52/350934852.db2.gz KSDJNXFBEFIJFI-ZIAGYGMSSA-N 1 0 243.354 2.443 10 0 BEAERO [NH3+]Cc1c(F)c(F)ccc1OC(F)F ZINC000306717355 350877654 /nfs/dbraw/zinc/87/76/54/350877654.db2.gz HNUYDRMROBHKSM-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO CC[NH2+][C@]1(C(F)F)C[C@@H](C)O[C@@H](C)C1 ZINC000250611693 350883159 /nfs/dbraw/zinc/88/31/59/350883159.db2.gz HNQLZEUJTBPVGI-DIYOJNKTSA-N 1 0 207.264 2.187 10 0 BEAERO CC(C)[S@](=O)[C@@H]1CCCC(C)(C)[C@H]1[NH3+] ZINC000250568416 350883401 /nfs/dbraw/zinc/88/34/01/350883401.db2.gz GPWWRXPXINMOJZ-BFVZDQMLSA-N 1 0 217.378 2.050 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616618212 350883981 /nfs/dbraw/zinc/88/39/81/350883981.db2.gz SKKZYYAFRURUOX-AWEZNQCLSA-N 1 0 246.354 2.373 10 0 BEAERO C[N@@H+]1CCCCC[C@H]1c1cccc(N)n1 ZINC000616620239 350938620 /nfs/dbraw/zinc/93/86/20/350938620.db2.gz DPNBNRVAKCZBGV-NSHDSACASA-N 1 0 205.305 2.211 10 0 BEAERO CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1 ZINC000052035826 350890034 /nfs/dbraw/zinc/89/00/34/350890034.db2.gz PGXBZFATCBCADX-SSDOTTSWSA-N 1 0 211.696 2.145 10 0 BEAERO C[C@@H]([NH3+])c1cccn1Cc1cncs1 ZINC000159655566 350960407 /nfs/dbraw/zinc/96/04/07/350960407.db2.gz PYINKDXBDANFKO-MRVPVSSYSA-N 1 0 207.302 2.013 10 0 BEAERO CO[C@H](C(C)C)[C@@H]1[NH2+]CC[C@@H](C)S1 ZINC000306761850 350987692 /nfs/dbraw/zinc/98/76/92/350987692.db2.gz DFAGZPFHFAOTRM-OPRDCNLKSA-N 1 0 203.351 2.099 10 0 BEAERO Clc1ccc(NC2=[NH+]CCCN2)cc1 ZINC000306762748 350992914 /nfs/dbraw/zinc/99/29/14/350992914.db2.gz FHRZZAFTZSQSDO-UHFFFAOYSA-N 1 0 209.680 2.101 10 0 BEAERO C[C@H]([NH3+])[C@](C)(O)c1c(F)cccc1Cl ZINC000306763441 350994018 /nfs/dbraw/zinc/99/40/18/350994018.db2.gz GKKJMRYBBDYOFG-WKEGUHRASA-N 1 0 217.671 2.034 10 0 BEAERO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCC[C@H]1O ZINC000252710129 538099821 /nfs/dbraw/zinc/09/98/21/538099821.db2.gz FTSWXTAMXSFUGV-RAIGVLPGSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCSC2)sn1 ZINC000306769251 351001854 /nfs/dbraw/zinc/00/18/54/351001854.db2.gz ATTZLICAFWHDIB-VXNVDRBHSA-N 1 0 214.359 2.204 10 0 BEAERO CO[C@@H](C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000306770568 351003991 /nfs/dbraw/zinc/00/39/91/351003991.db2.gz FXVRGCLXMRXQKR-GZMMTYOYSA-N 1 0 211.330 2.144 10 0 BEAERO C[C@@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)[C@H]1C ZINC000306776275 351017720 /nfs/dbraw/zinc/01/77/20/351017720.db2.gz YKGHUIUGRADSIL-NTZNESFSSA-N 1 0 231.343 2.345 10 0 BEAERO C[C@@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)[C@@H]1C ZINC000306776274 351017779 /nfs/dbraw/zinc/01/77/79/351017779.db2.gz YKGHUIUGRADSIL-NQBHXWOUSA-N 1 0 231.343 2.345 10 0 BEAERO CC1(CC(=O)[C@@H]2CSCC[NH2+]2)CCCC1 ZINC000306795560 351043542 /nfs/dbraw/zinc/04/35/42/351043542.db2.gz GPSLBKFQYXURLS-JTQLQIEISA-N 1 0 227.373 2.231 10 0 BEAERO CC[C@@H]1CC[C@H]([C@@H]2[NH2+]C[C@@H]3CCC[C@@H]32)O1 ZINC000306808529 351060983 /nfs/dbraw/zinc/06/09/83/351060983.db2.gz PJGLAWRTQMTWMB-OBPIAQAESA-N 1 0 209.333 2.332 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(C)o1 ZINC000398077627 362999759 /nfs/dbraw/zinc/99/97/59/362999759.db2.gz QHWGRQACTXTFRO-OLZOCXBDSA-N 1 0 249.358 2.042 10 0 BEAERO OCCc1ccccc1[C@H]1CCC[NH2+]CC1 ZINC000616630310 351102934 /nfs/dbraw/zinc/10/29/34/351102934.db2.gz UZVAPVDCJBUGSV-LBPRGKRZSA-N 1 0 219.328 2.079 10 0 BEAERO CNc1ccccc1[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC000616631979 351109736 /nfs/dbraw/zinc/10/97/36/351109736.db2.gz CCVWTZOHVRZQCO-AWEZNQCLSA-N 1 0 247.386 2.473 10 0 BEAERO COc1ccccc1[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC000616632030 351110215 /nfs/dbraw/zinc/11/02/15/351110215.db2.gz DWBUXIFTGTWMMI-ZDUSSCGKSA-N 1 0 248.370 2.440 10 0 BEAERO CC[N@@H+]1CCN[C@H](c2ccc3ccccc3n2)C1 ZINC000616633065 351114539 /nfs/dbraw/zinc/11/45/39/351114539.db2.gz ZCVJAQPHJVRENZ-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1cccc2ccncc21 ZINC000616633628 351116294 /nfs/dbraw/zinc/11/62/94/351116294.db2.gz OTGPEAUEBZFRGM-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1cncc2ccccc21 ZINC000616634549 351117120 /nfs/dbraw/zinc/11/71/20/351117120.db2.gz SSRXEYUQXZVBRH-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO CN(C(=O)[C@@]1(C)CCC[NH2+]1)C1CCCCCC1 ZINC000079512094 351067834 /nfs/dbraw/zinc/06/78/34/351067834.db2.gz DAQGVXAAEMDIQE-CQSZACIVSA-N 1 0 238.375 2.310 10 0 BEAERO CN(C(=O)[C@]1(C)CCC[NH2+]1)C1CCCCCC1 ZINC000079512099 351068034 /nfs/dbraw/zinc/06/80/34/351068034.db2.gz DAQGVXAAEMDIQE-AWEZNQCLSA-N 1 0 238.375 2.310 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616636181 351123922 /nfs/dbraw/zinc/12/39/22/351123922.db2.gz BJCWNLPIBIVTHS-OAHLLOKOSA-N 1 0 249.354 2.003 10 0 BEAERO Cc1cocc1C(=O)[C@H]1CC[NH2+]C[C@H]1C ZINC000306811444 351079618 /nfs/dbraw/zinc/07/96/18/351079618.db2.gz WVZHWNSEFVRYDU-SCZZXKLOSA-N 1 0 207.273 2.016 10 0 BEAERO CC[N@@H+]1CCCCC[C@H]1c1ccc(N)nc1 ZINC000616621707 351083618 /nfs/dbraw/zinc/08/36/18/351083618.db2.gz OAHMBPAHWNREFP-LBPRGKRZSA-N 1 0 219.332 2.431 10 0 BEAERO [NH3+]CCN1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616621687 351083758 /nfs/dbraw/zinc/08/37/58/351083758.db2.gz VQJZYDQGBSAUIV-GFCCVEGCSA-N 1 0 238.762 2.478 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cccnn2)C1 ZINC000616621702 351083857 /nfs/dbraw/zinc/08/38/57/351083857.db2.gz WFGLMDYGEJZFSM-LLVKDONJSA-N 1 0 219.332 2.455 10 0 BEAERO OCCc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000616623262 351088158 /nfs/dbraw/zinc/08/81/58/351088158.db2.gz MNQBWKYLOHFABA-AWEZNQCLSA-N 1 0 219.328 2.426 10 0 BEAERO OCc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000616623093 351088694 /nfs/dbraw/zinc/08/86/94/351088694.db2.gz KKSDWCNXGNNIKZ-ZDUSSCGKSA-N 1 0 205.301 2.384 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2cccc3cccnc32)C1 ZINC000616625219 351094039 /nfs/dbraw/zinc/09/40/39/351094039.db2.gz GUNPGZMIVRKCML-CYBMUJFWSA-N 1 0 242.322 2.016 10 0 BEAERO COc1cccc([C@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616627574 351095842 /nfs/dbraw/zinc/09/58/42/351095842.db2.gz HREYBTMKITUZNG-ZDUSSCGKSA-N 1 0 248.370 2.223 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccccc1N ZINC000616641634 351149493 /nfs/dbraw/zinc/14/94/93/351149493.db2.gz MCNQFPLRLDQJKA-ZDUSSCGKSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cccnc1N ZINC000616655384 351192756 /nfs/dbraw/zinc/19/27/56/351192756.db2.gz CQDGETJZOFGTMO-GFCCVEGCSA-N 1 0 249.358 2.226 10 0 BEAERO c1nocc1[C@H]1CN(Cc2ccccc2)CCO1 ZINC000616644472 351163330 /nfs/dbraw/zinc/16/33/30/351163330.db2.gz PZVOLSBPXBNMTB-CQSZACIVSA-N 1 0 244.294 2.248 10 0 BEAERO CCN1CCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616644480 351163590 /nfs/dbraw/zinc/16/35/90/351163590.db2.gz CUZRMGVVCDSCKX-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(N)cc2)C1 ZINC000616644869 351166088 /nfs/dbraw/zinc/16/60/88/351166088.db2.gz KQOHCDKFDVIRKM-CYBMUJFWSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cccnn2)C1 ZINC000616653671 351193606 /nfs/dbraw/zinc/19/36/06/351193606.db2.gz TUHGGGSUYZSBDB-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CC[N@@H+]1CCCOC[C@H]1c1cccc(CCO)c1 ZINC000616649962 351172596 /nfs/dbraw/zinc/17/25/96/351172596.db2.gz RMUGJYFCKSDQQP-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO c1ccc2c(c1)ccnc2[C@@H]1COCCC[NH2+]1 ZINC000616648657 351176239 /nfs/dbraw/zinc/17/62/39/351176239.db2.gz UHDPIHDLLIBSAQ-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)=CC[NH2+]CCCn1nc(C)cc1C ZINC000219250199 191132046 /nfs/dbraw/zinc/13/20/46/191132046.db2.gz CVRMTPQMHDIZFO-UHFFFAOYSA-N 1 0 221.348 2.446 10 0 BEAERO CC[N@@H+]1CCCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616649929 351180904 /nfs/dbraw/zinc/18/09/04/351180904.db2.gz QGGINHVMWJYFMF-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2cn[nH]c2)C1 ZINC000616654018 351194531 /nfs/dbraw/zinc/19/45/31/351194531.db2.gz JGIPQDHCBYXRGP-LLVKDONJSA-N 1 0 207.321 2.388 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccncc2)C1 ZINC000616652753 351185784 /nfs/dbraw/zinc/18/57/84/351185784.db2.gz JNBPNLDSOYSKBT-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO C[C@H](NC(N)=[NH2+])c1cc(F)ccc1Cl ZINC000306822728 351129058 /nfs/dbraw/zinc/12/90/58/351129058.db2.gz RGQZVZKRHDPJFO-YFKPBYRVSA-N 1 0 215.659 2.023 10 0 BEAERO C[C@@H](NC(N)=[NH2+])c1cc(F)ccc1Cl ZINC000306822727 351129097 /nfs/dbraw/zinc/12/90/97/351129097.db2.gz RGQZVZKRHDPJFO-RXMQYKEDSA-N 1 0 215.659 2.023 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccc2cnccc2c1 ZINC000616637300 351132353 /nfs/dbraw/zinc/13/23/53/351132353.db2.gz JGVMXSLXGOMCDA-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1cnc2ccccc2c1 ZINC000616637193 351133684 /nfs/dbraw/zinc/13/36/84/351133684.db2.gz IVZKJTZRVBSJKV-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO COc1cccc([C@H]2C[NH2+]CCN2C(C)(C)C)c1 ZINC000616637857 351136183 /nfs/dbraw/zinc/13/61/83/351136183.db2.gz RZTKIUOPJQXSEC-CQSZACIVSA-N 1 0 248.370 2.440 10 0 BEAERO CC(C)(C)N1CCOC[C@@H]1c1cccnc1 ZINC000616638463 351139210 /nfs/dbraw/zinc/13/92/10/351139210.db2.gz UHEFUWMYFXGRLC-GFCCVEGCSA-N 1 0 220.316 2.253 10 0 BEAERO CCN1CCOC[C@@H]1c1ccc(NC)cc1 ZINC000616638521 351139648 /nfs/dbraw/zinc/13/96/48/351139648.db2.gz WKSAXMVQNOCLPK-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO CC(C)(C)[N@@H+]1CCNC[C@@H]1c1cccc(N)c1 ZINC000616638410 351140000 /nfs/dbraw/zinc/14/00/00/351140000.db2.gz ZREYMPZZKXQRCI-CYBMUJFWSA-N 1 0 233.359 2.014 10 0 BEAERO C[C@H]1C[NH+]=C(NCCC(F)(F)F)S1 ZINC000063100807 351140521 /nfs/dbraw/zinc/14/05/21/351140521.db2.gz BLKAQYLYEWDUHY-YFKPBYRVSA-N 1 0 212.240 2.020 10 0 BEAERO Nc1cc[nH+]c(NCCC(F)(F)F)c1 ZINC000063099287 351140753 /nfs/dbraw/zinc/14/07/53/351140753.db2.gz KJAZIUWYODHOKG-UHFFFAOYSA-N 1 0 205.183 2.028 10 0 BEAERO CCN1c2ccccc2CC[C@@H]1CC[NH3+] ZINC000616669266 351228860 /nfs/dbraw/zinc/22/88/60/351228860.db2.gz QNCBADIYNQDVJB-GFCCVEGCSA-N 1 0 204.317 2.177 10 0 BEAERO CN1C[C@H](c2ncc[nH]2)Cc2ccccc21 ZINC000616670759 351230975 /nfs/dbraw/zinc/23/09/75/351230975.db2.gz PJNMEHYYSTUKAJ-LLVKDONJSA-N 1 0 213.284 2.186 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1C(F)(F)F ZINC000616670617 351233530 /nfs/dbraw/zinc/23/35/30/351233530.db2.gz ZNHOOUIGLYSYIA-LLVKDONJSA-N 1 0 244.260 2.329 10 0 BEAERO CCOC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000616673307 351240320 /nfs/dbraw/zinc/24/03/20/351240320.db2.gz XHYODZVDXQRFLH-JTQLQIEISA-N 1 0 234.299 2.096 10 0 BEAERO COC(=O)N1CC[C@@H](CC[NH3+])c2ccccc21 ZINC000616674903 351242388 /nfs/dbraw/zinc/24/23/88/351242388.db2.gz KETPYJIRZQYGOL-SNVBAGLBSA-N 1 0 234.299 2.096 10 0 BEAERO CC[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616675211 351243074 /nfs/dbraw/zinc/24/30/74/351243074.db2.gz PDPVGZNBXZPFMX-LLVKDONJSA-N 1 0 204.317 2.349 10 0 BEAERO [NH3+]C[C@@H](F)CCCOCc1ccccc1 ZINC000306866381 351251675 /nfs/dbraw/zinc/25/16/75/351251675.db2.gz NRSMIDPBSZYKHR-LBPRGKRZSA-N 1 0 211.280 2.280 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2ccc(OC)cc2)CC1 ZINC000616684125 351255190 /nfs/dbraw/zinc/25/51/90/351255190.db2.gz CSPCCTUOZRZPKS-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO Clc1ccc(CC2=[NH+]CCCN2)cc1 ZINC000034153818 180578889 /nfs/dbraw/zinc/57/88/89/180578889.db2.gz ZYPVOBBLOCFTEK-UHFFFAOYSA-N 1 0 208.692 2.274 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cocn2)CC1 ZINC000616686946 351257428 /nfs/dbraw/zinc/25/74/28/351257428.db2.gz MIRYJVBNZPWIBQ-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2cccc(CCO)c2)CC1 ZINC000616687393 351258583 /nfs/dbraw/zinc/25/85/83/351258583.db2.gz XFHSWMOSNNXUST-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO COc1ccc([C@@H]2CC[N@H+](C)CCO2)cc1 ZINC000616687464 351258791 /nfs/dbraw/zinc/25/87/91/351258791.db2.gz ZMLLNIVBNLGXGE-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO COc1ccc([C@H]2CCOCC[N@@H+]2C)cc1 ZINC000616656747 351196768 /nfs/dbraw/zinc/19/67/68/351196768.db2.gz ZZDYFBAXFXNWBG-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO CC(C)(C)N1CCOCC[C@H]1c1cocn1 ZINC000616657302 351198379 /nfs/dbraw/zinc/19/83/79/351198379.db2.gz VQPINDLBAAUFJM-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1ccnnc1 ZINC000616655947 351201883 /nfs/dbraw/zinc/20/18/83/351201883.db2.gz NWEHBBYXSIYUEA-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CNc1cccc([C@@H]2CCOCC[N@@H+]2C)c1 ZINC000616656303 351202427 /nfs/dbraw/zinc/20/24/27/351202427.db2.gz FETTXJIQVWEJOI-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccccc2N)C1 ZINC000616659039 351205205 /nfs/dbraw/zinc/20/52/05/351205205.db2.gz GNPUDFBNRLYIIT-GFCCVEGCSA-N 1 0 248.370 2.483 10 0 BEAERO COc1ccccc1[C@@H]1CCOCC[N@@H+]1C ZINC000616659646 351207886 /nfs/dbraw/zinc/20/78/86/351207886.db2.gz VXDGAWRFLCJNIM-LBPRGKRZSA-N 1 0 221.300 2.088 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2cccc(F)c2)C1 ZINC000616661539 351209779 /nfs/dbraw/zinc/20/97/79/351209779.db2.gz UHSUEDYBZBWCAQ-GFCCVEGCSA-N 1 0 223.291 2.261 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cccc(N)c2)C1 ZINC000616661618 351211002 /nfs/dbraw/zinc/21/10/02/351211002.db2.gz VNGPBAYETUIHNS-CYBMUJFWSA-N 1 0 248.370 2.483 10 0 BEAERO c1cnc2c(c1)cccc2[C@H]1CC[NH2+]CCO1 ZINC000616663257 351215362 /nfs/dbraw/zinc/21/53/62/351215362.db2.gz IPEWMIPHJVGLHO-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO C[C@@H]([NH3+])COc1c(F)cccc1Cl ZINC000222914660 351261915 /nfs/dbraw/zinc/26/19/15/351261915.db2.gz JVOKUXKLGNEEAL-ZCFIWIBFSA-N 1 0 203.644 2.205 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H](c2cccc(N)c2)C1 ZINC000616662008 351216704 /nfs/dbraw/zinc/21/67/04/351216704.db2.gz YMPZONYYQYMDIT-CYBMUJFWSA-N 1 0 234.343 2.093 10 0 BEAERO C[C@H]([NH3+])/C=C/c1cncc(Br)c1 ZINC000231749988 351290303 /nfs/dbraw/zinc/29/03/03/351290303.db2.gz GJULEMMZRXNMNZ-AIYRYJHASA-N 1 0 227.105 2.205 10 0 BEAERO C[C@@H]([NH3+])/C=C/c1ccc(Br)o1 ZINC000231751525 351303535 /nfs/dbraw/zinc/30/35/35/351303535.db2.gz WURRMJYNQDKZQN-YRFDSLTASA-N 1 0 216.078 2.403 10 0 BEAERO [NH3+][C@@H](c1occc1Br)C1CC1 ZINC000068982356 351319588 /nfs/dbraw/zinc/31/95/88/351319588.db2.gz NGCOWSGLZFLACX-SSDOTTSWSA-N 1 0 216.078 2.452 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@@]2(C)C[C@@H]2F)cs1 ZINC000306879704 351271223 /nfs/dbraw/zinc/27/12/23/351271223.db2.gz FCRNBTASBNUTDY-CIUDSAMLSA-N 1 0 200.282 2.199 10 0 BEAERO N[C@H](CC[NH3+])c1c(F)ccc(Cl)c1Cl ZINC000306878493 351271837 /nfs/dbraw/zinc/27/18/37/351271837.db2.gz DBHONYIMUJSQBQ-SSDOTTSWSA-N 1 0 237.105 2.481 10 0 BEAERO C[NH2+][C@H]1COc2cc(Br)c(C)cc21 ZINC000306975743 351396303 /nfs/dbraw/zinc/39/63/03/351396303.db2.gz AAYZGHKXRMZCQP-VIFPVBQESA-N 1 0 242.116 2.410 10 0 BEAERO C[C@]1([C@@H]([NH3+])c2ccns2)CCCS1 ZINC000306981183 351400888 /nfs/dbraw/zinc/40/08/88/351400888.db2.gz HLUWDBDYYSRBEN-DTWKUNHWSA-N 1 0 214.359 2.429 10 0 BEAERO Clc1ccc2c(c1)N[C@H]1CC[NH2+]C[C@H]21 ZINC000071484565 180587784 /nfs/dbraw/zinc/58/77/84/180587784.db2.gz WYZHKRBFEWYMLL-ZJUUUORDSA-N 1 0 208.692 2.211 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc2ncccc2c1 ZINC000069050758 351347872 /nfs/dbraw/zinc/34/78/72/351347872.db2.gz JCBCFWKHZJMUCR-AAEUAGOBSA-N 1 0 216.284 2.006 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc2ncccc2c1 ZINC000069050759 351347913 /nfs/dbraw/zinc/34/79/13/351347913.db2.gz JCBCFWKHZJMUCR-YPMHNXCESA-N 1 0 216.284 2.006 10 0 BEAERO CCC[C@H](C)[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000034937123 351351296 /nfs/dbraw/zinc/35/12/96/351351296.db2.gz YJMVCVQEWBFLQO-WDEREUQCSA-N 1 0 238.331 2.063 10 0 BEAERO C[NH2+][C@H](C1=CCCO1)[C@@H]1CCCCS1 ZINC000168246173 351352002 /nfs/dbraw/zinc/35/20/02/351352002.db2.gz UPACIEAOYXDUSL-WDEREUQCSA-N 1 0 213.346 2.164 10 0 BEAERO CCCCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000034937517 351352040 /nfs/dbraw/zinc/35/20/40/351352040.db2.gz CSPWKDJVLHIJQL-JTQLQIEISA-N 1 0 214.353 2.069 10 0 BEAERO CN1c2ccc([C@@H]([NH3+])C3CCCC3)cc2CC1=O ZINC000034940677 351357674 /nfs/dbraw/zinc/35/76/74/351357674.db2.gz WPQKLDMMWRKUGJ-HNNXBMFYSA-N 1 0 244.338 2.396 10 0 BEAERO CCC1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000034958707 351361666 /nfs/dbraw/zinc/36/16/66/351361666.db2.gz RRRDEPWOHKUAFU-UHFFFAOYSA-N 1 0 210.365 2.378 10 0 BEAERO [NH3+]Cc1cccc(COCCc2ccccn2)c1 ZINC000034958470 351364126 /nfs/dbraw/zinc/36/41/26/351364126.db2.gz YUWRKAMNCYKLKQ-UHFFFAOYSA-N 1 0 242.322 2.300 10 0 BEAERO CCC[C@@H](C[NH2+]Cc1cnn(C)c1C)OCC ZINC000623598799 363035976 /nfs/dbraw/zinc/03/59/76/363035976.db2.gz NYNRZZZAMAVGLV-ZDUSSCGKSA-N 1 0 239.363 2.023 10 0 BEAERO CC1(C)CC2(C1)C[NH+]=C(N)N2Cc1ccccc1 ZINC000307054171 351454494 /nfs/dbraw/zinc/45/44/94/351454494.db2.gz WUDXDEOBLKKXCR-UHFFFAOYSA-N 1 0 243.354 2.376 10 0 BEAERO Cc1nc(C(=O)C[C@@H]2CC[C@@H]([NH3+])C2)cs1 ZINC000307054640 351454877 /nfs/dbraw/zinc/45/48/77/351454877.db2.gz XSQMEHPUUJBTLA-RKDXNWHRSA-N 1 0 224.329 2.152 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1cccc(F)c1Br ZINC000307067255 351462421 /nfs/dbraw/zinc/46/24/21/351462421.db2.gz KPMDBUXAPBYLNI-POYBYMJQSA-N 1 0 230.080 2.403 10 0 BEAERO Cc1cscc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000307012674 351420208 /nfs/dbraw/zinc/42/02/08/351420208.db2.gz LDWPFQGHTFAEGY-WPRPVWTQSA-N 1 0 210.346 2.230 10 0 BEAERO CC(C)Nc1ncc(C[NH3+])cc1Br ZINC000307012662 351420258 /nfs/dbraw/zinc/42/02/58/351420258.db2.gz LDDMJMPSWGQKHV-UHFFFAOYSA-N 1 0 244.136 2.123 10 0 BEAERO Cc1cc(CC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cs1 ZINC000307133006 351497075 /nfs/dbraw/zinc/49/70/75/351497075.db2.gz WLLQRXNRDAWSMG-GHMZBOCLSA-N 1 0 221.325 2.072 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000218302321 351498307 /nfs/dbraw/zinc/49/83/07/351498307.db2.gz IBXKFVJUCBWJGV-ARFHVFGLSA-N 1 0 245.366 2.437 10 0 BEAERO [NH3+][C@@H](c1ccc[nH]1)c1ccoc1Br ZINC000307145442 351499231 /nfs/dbraw/zinc/49/92/31/351499231.db2.gz GNCDTASSIYDCAG-MRVPVSSYSA-N 1 0 241.088 2.418 10 0 BEAERO Clc1cnc(OCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095070056 180598573 /nfs/dbraw/zinc/59/85/73/180598573.db2.gz KIKNVDWUNMAPLA-JTQLQIEISA-N 1 0 241.722 2.041 10 0 BEAERO CC1(C(=O)c2ccsc2Cl)C[NH2+]C1 ZINC000307081556 351469450 /nfs/dbraw/zinc/46/94/50/351469450.db2.gz HASJYGUJALYUQJ-UHFFFAOYSA-N 1 0 215.705 2.194 10 0 BEAERO Clc1ccccc1CC[C@@H]1COCC[NH2+]1 ZINC000071532527 180594653 /nfs/dbraw/zinc/59/46/53/180594653.db2.gz NTVTYWLWDIVPJE-LLVKDONJSA-N 1 0 225.719 2.261 10 0 BEAERO C[C@]1([C@@H]2[NH2+]CCCS2)CCCS1 ZINC000307167328 351537266 /nfs/dbraw/zinc/53/72/66/351537266.db2.gz RGHHWPOIJVGIBE-RKDXNWHRSA-N 1 0 203.376 2.325 10 0 BEAERO COCc1nc(C[NH2+]CC2CC=CC2)cs1 ZINC000623613177 363052858 /nfs/dbraw/zinc/05/28/58/363052858.db2.gz DDRCFRCOPOQACQ-UHFFFAOYSA-N 1 0 238.356 2.345 10 0 BEAERO [NH3+][C@@H](c1cnsc1)[C@@H]1CCCCS1 ZINC000404592659 351593622 /nfs/dbraw/zinc/59/36/22/351593622.db2.gz MIUJBLYJQKYFNB-IUCAKERBSA-N 1 0 214.359 2.429 10 0 BEAERO CC[C@@H]1CSC(N[C@H]2CCS[C@H]2C)=[NH+]1 ZINC000307220064 351620570 /nfs/dbraw/zinc/62/05/70/351620570.db2.gz OPQCEAMDAWSCIT-YIZRAAEISA-N 1 0 230.402 2.351 10 0 BEAERO CC[C@@H]1CSC(N[C@H]2CCS[C@@H]2C)=[NH+]1 ZINC000307220060 351621079 /nfs/dbraw/zinc/62/10/79/351621079.db2.gz OPQCEAMDAWSCIT-HLTSFMKQSA-N 1 0 230.402 2.351 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1cscc1Br ZINC000307229994 351677377 /nfs/dbraw/zinc/67/73/77/351677377.db2.gz AGKBSHTZOOJQIG-FBCQKBJTSA-N 1 0 218.119 2.325 10 0 BEAERO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000307237977 351727456 /nfs/dbraw/zinc/72/74/56/351727456.db2.gz OPTTWYSPCFWJGJ-MNOVXSKESA-N 1 0 240.347 2.090 10 0 BEAERO Cc1nc([C@@]2(C3CC3)CCC[NH2+]2)cs1 ZINC000307240067 351732187 /nfs/dbraw/zinc/73/21/87/351732187.db2.gz HXGAGBHXNFIWHL-NSHDSACASA-N 1 0 208.330 2.440 10 0 BEAERO CC[C@@H](NC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000637903377 351775686 /nfs/dbraw/zinc/77/56/86/351775686.db2.gz BFFLIRTYBQDWJB-CQSZACIVSA-N 1 0 246.354 2.254 10 0 BEAERO CC(C)(C)c1cccc([C@H]2CC[NH2+]C[C@H]2N)c1 ZINC000725269198 538101255 /nfs/dbraw/zinc/10/12/55/538101255.db2.gz FSSDMTMAEKQYBO-ZIAGYGMSSA-N 1 0 232.371 2.388 10 0 BEAERO FC1(F)CC(C[NH2+][C@H]2CC[C@@H]3C[C@@H]32)C1 ZINC000307254624 351789528 /nfs/dbraw/zinc/78/95/28/351789528.db2.gz YDRSAFFUORWNFX-UTLUCORTSA-N 1 0 201.260 2.420 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637884653 351753961 /nfs/dbraw/zinc/75/39/61/351753961.db2.gz RMJLENNEGGIGSB-AAEUAGOBSA-N 1 0 244.338 2.220 10 0 BEAERO CC[NH2+][C@H](C)C(=O)N[C@H](CC)c1ccccc1 ZINC000637904265 351773663 /nfs/dbraw/zinc/77/36/63/351773663.db2.gz IAIDEWCZVWDXDV-DGCLKSJQSA-N 1 0 234.343 2.252 10 0 BEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1C[C@H]1C ZINC000307270776 351823745 /nfs/dbraw/zinc/82/37/45/351823745.db2.gz HZLLIIOTWZNTOU-AXFHLTTASA-N 1 0 242.363 2.145 10 0 BEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1C[C@@H]1C ZINC000307270778 351824128 /nfs/dbraw/zinc/82/41/28/351824128.db2.gz HZLLIIOTWZNTOU-DCAQKATOSA-N 1 0 242.363 2.145 10 0 BEAERO CC[C@H](NC(=O)[C@H]([NH3+])CCC(C)C)C(C)C ZINC000637950647 351824859 /nfs/dbraw/zinc/82/48/59/351824859.db2.gz HZEWCEPGEMTBNS-NEPJUHHUSA-N 1 0 228.380 2.301 10 0 BEAERO Cc1cc(N2CC[C@](C)(C[NH3+])C2)cs1 ZINC000307274563 351830819 /nfs/dbraw/zinc/83/08/19/351830819.db2.gz NPZGQSUBNNYIGN-LLVKDONJSA-N 1 0 210.346 2.232 10 0 BEAERO O=C1CCCC[C@@H]1[N@@H+]1CC2CCC1CC2 ZINC000307278644 351834288 /nfs/dbraw/zinc/83/42/88/351834288.db2.gz VAJWQQXAVDOEIG-MCIGGMRASA-N 1 0 207.317 2.373 10 0 BEAERO O=C1CCCC[C@H]1[N@@H+]1CC2CCC1CC2 ZINC000307278643 351834393 /nfs/dbraw/zinc/83/43/93/351834393.db2.gz VAJWQQXAVDOEIG-HTAVTVPLSA-N 1 0 207.317 2.373 10 0 BEAERO CC[C@H]([NH3+])[C@@H]1C(=O)c2ccccc2[C@@H]1C ZINC000307264598 351811708 /nfs/dbraw/zinc/81/17/08/351811708.db2.gz XFJUIGYSUISYNK-KPXOXKRLSA-N 1 0 203.285 2.340 10 0 BEAERO CC[C@H]([NH3+])[C@H]1C(=O)c2ccccc2[C@@H]1C ZINC000307264600 351811941 /nfs/dbraw/zinc/81/19/41/351811941.db2.gz XFJUIGYSUISYNK-UWJYBYFXSA-N 1 0 203.285 2.340 10 0 BEAERO CC(C)(C)c1cccc([C@@H]2CC[NH2+]C[C@@H]2N)c1 ZINC000725269195 538101578 /nfs/dbraw/zinc/10/15/78/538101578.db2.gz FSSDMTMAEKQYBO-KBPBESRZSA-N 1 0 232.371 2.388 10 0 BEAERO CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)C1CCCC1 ZINC000637991061 351865023 /nfs/dbraw/zinc/86/50/23/351865023.db2.gz MGDFICXXWRLHAD-DGCLKSJQSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@]1(O)CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000307302173 351928451 /nfs/dbraw/zinc/92/84/51/351928451.db2.gz VCGYUPQWGAIRLI-QWRGUYRKSA-N 1 0 211.330 2.141 10 0 BEAERO [NH3+]C1CCC(F)(c2cscn2)CC1 ZINC000307315168 351990232 /nfs/dbraw/zinc/99/02/32/351990232.db2.gz MBMJBLXDQQNPFL-UHFFFAOYSA-N 1 0 200.282 2.209 10 0 BEAERO Cn1cc([C@@H](O)C2CC[NH2+]CC2)c2ccccc21 ZINC000034963492 180665354 /nfs/dbraw/zinc/66/53/54/180665354.db2.gz JDJGWCADBNLZSX-HNNXBMFYSA-N 1 0 244.338 2.211 10 0 BEAERO CCn1cnc(-c2ccc(C[NH3+])s2)c1 ZINC000307338648 352059255 /nfs/dbraw/zinc/05/92/55/352059255.db2.gz UWRWCBPGYPEZMQ-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO CC[C@H](CC(=O)NC[C@@H](C)[NH2+]C)C(C)(C)C ZINC000638222419 352081302 /nfs/dbraw/zinc/08/13/02/352081302.db2.gz SYDWAMJDRGDFGM-GHMZBOCLSA-N 1 0 228.380 2.173 10 0 BEAERO Cc1cccc(NC2CC[NH2+]CC2)c1C ZINC000038040607 187592418 /nfs/dbraw/zinc/59/24/18/187592418.db2.gz DDUJGDYZGFWDFN-UHFFFAOYSA-N 1 0 204.317 2.467 10 0 BEAERO Cc1ccc([C@H]([NH3+])CN2CCOC[C@@H]2C)cc1C ZINC000035775423 187595384 /nfs/dbraw/zinc/59/53/84/187595384.db2.gz DIGAPXPPPFEMJO-DZGCQCFKSA-N 1 0 248.370 2.024 10 0 BEAERO CC[C@H](CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)C(C)(C)C ZINC000638334038 352152350 /nfs/dbraw/zinc/15/23/50/352152350.db2.gz VXIREEUVPYFAFX-UTUOFQBUSA-N 1 0 240.391 2.254 10 0 BEAERO CO[C@H](C[NH2+]CC[C@@H]1CCCO1)C1CCCC1 ZINC000638349401 352166248 /nfs/dbraw/zinc/16/62/48/352166248.db2.gz KYTPZFVOFCMIGU-UONOGXRCSA-N 1 0 241.375 2.350 10 0 BEAERO CC1(C)CS[C@@H]([C@H]2CCSC2)[NH2+]1 ZINC000224676243 363117492 /nfs/dbraw/zinc/11/74/92/363117492.db2.gz XUVDSWDTMMMHHZ-YUMQZZPRSA-N 1 0 203.376 2.181 10 0 BEAERO [NH3+]Cc1ccccc1Oc1nccs1 ZINC000043558602 187605897 /nfs/dbraw/zinc/60/58/97/187605897.db2.gz UTNRJNIEPWMBLY-UHFFFAOYSA-N 1 0 206.270 2.394 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]CC1=CCCOC1 ZINC000127069367 187624704 /nfs/dbraw/zinc/62/47/04/187624704.db2.gz XGLBSCZEDXLRBF-CYBMUJFWSA-N 1 0 231.295 2.056 10 0 BEAERO CC(C)CC[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152386 358468885 /nfs/dbraw/zinc/46/88/85/358468885.db2.gz STAYCYMBBIVQBW-HIFPTAJRSA-N 1 0 240.391 2.445 10 0 BEAERO [NH3+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000044232233 352222204 /nfs/dbraw/zinc/22/22/04/352222204.db2.gz GDDRJIHKCNSDRF-VIFPVBQESA-N 1 0 220.099 2.376 10 0 BEAERO O[C@@H]1COCC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000628466917 358469841 /nfs/dbraw/zinc/46/98/41/358469841.db2.gz KNXNFWSREOBWLU-UONOGXRCSA-N 1 0 241.375 2.086 10 0 BEAERO CC(C)COCc1cccc(C(N)=[NH2+])c1 ZINC000019436227 187658197 /nfs/dbraw/zinc/65/81/97/187658197.db2.gz IHXMRFYBBKNZHG-UHFFFAOYSA-N 1 0 206.289 2.143 10 0 BEAERO C[C@@H]([NH3+])CSc1ccc(N)c(Cl)c1 ZINC000222946473 352396976 /nfs/dbraw/zinc/39/69/76/352396976.db2.gz KDQJEXJRWUMYCD-ZCFIWIBFSA-N 1 0 216.737 2.362 10 0 BEAERO CCCC[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271152 538103193 /nfs/dbraw/zinc/10/31/93/538103193.db2.gz IBLPAOKFRTVXMJ-CYDGBPFRSA-N 1 0 209.333 2.334 10 0 BEAERO C[C@@H]1CC(C[NH2+]C[C@H]2CCCOC2)C[C@@H](C)O1 ZINC000341490462 187704318 /nfs/dbraw/zinc/70/43/18/187704318.db2.gz SNLZBNIUDIJJGW-JHJVBQTASA-N 1 0 241.375 2.206 10 0 BEAERO CCCNC(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725271690 538103410 /nfs/dbraw/zinc/10/34/10/538103410.db2.gz RBHXTGUIUPJYOS-NSHDSACASA-N 1 0 233.315 2.164 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271669 538103462 /nfs/dbraw/zinc/10/34/62/538103462.db2.gz QZEJQCCQUFDGKE-WJTVCTBASA-N 1 0 209.333 2.332 10 0 BEAERO C[C@@]1([C@@H]([NH3+])c2cscn2)CCCS1 ZINC000307367788 352452655 /nfs/dbraw/zinc/45/26/55/352452655.db2.gz MKNCCARNULNNJD-IUCAKERBSA-N 1 0 214.359 2.429 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])C1CCC(F)(F)CC1 ZINC000725272230 538103860 /nfs/dbraw/zinc/10/38/60/538103860.db2.gz IZDPVDFWEFOMOC-SECBINFHSA-N 1 0 235.274 2.092 10 0 BEAERO CCN(CC(C)C)[C@@H]1C[NH2+][C@@H](C(C)C)C1 ZINC000725272109 538103975 /nfs/dbraw/zinc/10/39/75/538103975.db2.gz HIECZKHUPFKADT-QWHCGFSZSA-N 1 0 212.381 2.351 10 0 BEAERO C[C@H]1CCC[N@@H+]1C[C@H]1CCC(C)(C)C1=O ZINC000252174068 363190782 /nfs/dbraw/zinc/19/07/82/363190782.db2.gz OPJVBMSGZUQRDI-WDEREUQCSA-N 1 0 209.333 2.476 10 0 BEAERO CC(C)[C@@H]1C[C@H](N(C(C)C)C(C)C)C[NH2+]1 ZINC000725272376 538104193 /nfs/dbraw/zinc/10/41/93/538104193.db2.gz MDDNWZRIYFOHEM-STQMWFEESA-N 1 0 212.381 2.492 10 0 BEAERO C[C@H]([NH3+])c1c[nH]c(-c2ncc(Cl)s2)n1 ZINC000307425277 352592503 /nfs/dbraw/zinc/59/25/03/352592503.db2.gz PIYBEODJXHOWND-BYPYZUCNSA-N 1 0 228.708 2.206 10 0 BEAERO Cc1nc(C)c([C@H]2[NH2+][C@@H](C)CS2)s1 ZINC000307444261 352597259 /nfs/dbraw/zinc/59/72/59/352597259.db2.gz UROXZLCLRHYNGS-CDUCUWFYSA-N 1 0 214.359 2.483 10 0 BEAERO C[C@H]1CN(C(=[NH2+])NCc2ccccc2)C[C@@H]1C ZINC000307450668 352602958 /nfs/dbraw/zinc/60/29/58/352602958.db2.gz BWURDOIDLFNQBQ-RYUDHWBXSA-N 1 0 231.343 2.299 10 0 BEAERO [NH3+][C@H](c1occc1Br)C1CSC1 ZINC000404899532 352619118 /nfs/dbraw/zinc/61/91/18/352619118.db2.gz AGQYVNAGZJQGGA-ZETCQYMHSA-N 1 0 248.145 2.405 10 0 BEAERO [NH3+][C@@H](c1ccns1)[C@@H]1CCCS1 ZINC000307456182 352608307 /nfs/dbraw/zinc/60/83/07/352608307.db2.gz DHTDIUASCSJVSK-POYBYMJQSA-N 1 0 200.332 2.039 10 0 BEAERO CC(C)c1nc(N)nc(NCc2ccccc2)n1 ZINC000307471399 352613053 /nfs/dbraw/zinc/61/30/53/352613053.db2.gz RGSPCOUUFZTOKV-UHFFFAOYSA-N 1 0 243.314 2.189 10 0 BEAERO C[C@]1([NH3+])CC=C(c2ccc(C=O)nc2)CC1 ZINC000725272589 538104562 /nfs/dbraw/zinc/10/45/62/538104562.db2.gz QMMVSZZXOWCNBT-ZDUSSCGKSA-N 1 0 216.284 2.179 10 0 BEAERO Cc1cc([C@]2(C)CC[C@H](C[NH3+])O2)cs1 ZINC000307399387 352572145 /nfs/dbraw/zinc/57/21/45/352572145.db2.gz WKFPWFLIDCEYGL-MNOVXSKESA-N 1 0 211.330 2.409 10 0 BEAERO C[C@@H]1C[C@H]1[C@]1(C)C[NH+]=C(N)N1Cc1ccccc1 ZINC000307405343 352580444 /nfs/dbraw/zinc/58/04/44/352580444.db2.gz FBJQIOIRTXSBDR-KYOSRNDESA-N 1 0 243.354 2.232 10 0 BEAERO C[C@H]1SCC[C@H]1NC(=[NH2+])C(C)(C)C ZINC000307536364 352639960 /nfs/dbraw/zinc/63/99/60/352639960.db2.gz SUEGCYCRIHCDTO-HTQZYQBOSA-N 1 0 200.351 2.493 10 0 BEAERO [NH3+][C@H]1CC[C@H]1Cc1ncccc1Br ZINC000307539580 352643987 /nfs/dbraw/zinc/64/39/87/352643987.db2.gz QMLCSUXCFDAQOD-CBAPKCEASA-N 1 0 241.132 2.124 10 0 BEAERO C[C@@H](NC1=[NH+][C@H](C)CCS1)C(F)F ZINC000307540697 352644186 /nfs/dbraw/zinc/64/41/86/352644186.db2.gz AFEPBVUNJKERBY-PHDIDXHHSA-N 1 0 208.277 2.111 10 0 BEAERO C[C@H]1CSC[C@@H]1NC(=[NH2+])C(C)(C)C ZINC000307542476 352646001 /nfs/dbraw/zinc/64/60/01/352646001.db2.gz QCAFXXKMGIYEOY-YUMQZZPRSA-N 1 0 200.351 2.351 10 0 BEAERO C[C@@H]1C[C@@H](c2cnn(Cc3ccccc3)c2)C[NH2+]1 ZINC000307551849 352648230 /nfs/dbraw/zinc/64/82/30/352648230.db2.gz TYOILWPHSWGMJJ-TZMCWYRMSA-N 1 0 241.338 2.397 10 0 BEAERO CC[C@@]1(C)C[NH2+][C@H]1c1cnc(OC)s1 ZINC000307574764 352658399 /nfs/dbraw/zinc/65/83/99/352658399.db2.gz HPWARQGLGDEJMH-WPRPVWTQSA-N 1 0 212.318 2.212 10 0 BEAERO CN(C)[C@H](C[NH3+])c1cccc(Cl)c1F ZINC000229240007 352664910 /nfs/dbraw/zinc/66/49/10/352664910.db2.gz HODLUOJBEIFNCY-SECBINFHSA-N 1 0 216.687 2.041 10 0 BEAERO C[C@]1(c2ncc(C[NH3+])s2)CCCS1 ZINC000307500535 352627798 /nfs/dbraw/zinc/62/77/98/352627798.db2.gz HTAQCOJONRNSJH-SECBINFHSA-N 1 0 214.359 2.344 10 0 BEAERO C[C@@H]([NH3+])[C@@](C)(O)Cc1sccc1Cl ZINC000307614136 352670657 /nfs/dbraw/zinc/67/06/57/352670657.db2.gz NUQJUKLVGRQXRT-MUWHJKNJSA-N 1 0 219.737 2.042 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638756889 352687157 /nfs/dbraw/zinc/68/71/57/352687157.db2.gz DYXWZPKZBCKQAI-OBJOEFQTSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000638758330 352693191 /nfs/dbraw/zinc/69/31/91/352693191.db2.gz ZCQPULUIYJTQGA-GWCFXTLKSA-N 1 0 248.326 2.027 10 0 BEAERO C[C@H]1C[C@H](C)[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000307628402 352708991 /nfs/dbraw/zinc/70/89/91/352708991.db2.gz UAUDBAJWKQTXHR-IUCAKERBSA-N 1 0 225.723 2.360 10 0 BEAERO Cc1cc(C[C@H]2CSC[C@H]2[NH3+])cs1 ZINC000307616576 352675209 /nfs/dbraw/zinc/67/52/09/352675209.db2.gz QMEVHCNYRLIFEM-VHSXEESVSA-N 1 0 213.371 2.289 10 0 BEAERO COc1ccc([C@H](O)[C@H]([NH3+])C(C)C)cc1C ZINC000032014640 352735618 /nfs/dbraw/zinc/73/56/18/352735618.db2.gz WCFVKVQRMONDAW-OLZOCXBDSA-N 1 0 223.316 2.020 10 0 BEAERO Cn1nc(-c2ccccc2)c2c1CCC[C@H]2[NH3+] ZINC000072415274 180799359 /nfs/dbraw/zinc/79/93/59/180799359.db2.gz IBCJQVYXDQPOIE-LLVKDONJSA-N 1 0 227.311 2.423 10 0 BEAERO OCc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000334191396 352781850 /nfs/dbraw/zinc/78/18/50/352781850.db2.gz JTRWVEFUVHOAOK-ZIAGYGMSSA-N 1 0 217.312 2.163 10 0 BEAERO CCC[C@H](CC)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055088088 1172154822 /nfs/dbraw/zinc/15/48/22/1172154822.db2.gz LFSRMOBKKOFXSM-SRVKXCTJSA-N 1 0 226.364 2.199 10 0 BEAERO CCC[NH2+][C@H](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000104418849 535191453 /nfs/dbraw/zinc/19/14/53/535191453.db2.gz XIEQIAADUWQVRK-OLZOCXBDSA-N 1 0 248.374 2.081 10 0 BEAERO Fc1cccc2[nH]c([C@@H]3CC[NH2+]C3)cc21 ZINC000082927889 323939487 /nfs/dbraw/zinc/93/94/87/323939487.db2.gz RKGOSYPARHSCPH-MRVPVSSYSA-N 1 0 204.248 2.384 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000319011027 538106109 /nfs/dbraw/zinc/10/61/09/538106109.db2.gz PJESMXHPGHOUCU-BDAKNGLRSA-N 1 0 225.254 2.030 10 0 BEAERO Nc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000307696623 352967649 /nfs/dbraw/zinc/96/76/49/352967649.db2.gz KTPOTSMRJDWAEJ-CYBMUJFWSA-N 1 0 242.326 2.329 10 0 BEAERO CC(C)C1(C[NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000638858297 353034441 /nfs/dbraw/zinc/03/44/41/353034441.db2.gz NAXAROWQAPBCQB-RYUDHWBXSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@](C)(NC(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000638858594 353035021 /nfs/dbraw/zinc/03/50/21/353035021.db2.gz UCAXQVGABSGPSO-YPMHNXCESA-N 1 0 226.364 2.055 10 0 BEAERO COC1([C@H]2[NH2+]CCCS2)CCCCC1 ZINC000306240227 352998951 /nfs/dbraw/zinc/99/89/51/352998951.db2.gz KHSXQCMFFMBUKF-JTQLQIEISA-N 1 0 215.362 2.388 10 0 BEAERO CC(C)CC(=O)N(CC[NH3+])C1CCCCC1 ZINC000020183518 187936377 /nfs/dbraw/zinc/93/63/77/187936377.db2.gz DSDFVLZLNPDTGT-UHFFFAOYSA-N 1 0 226.364 2.153 10 0 BEAERO CC(C)(C)c1cccc(OC[C@H](O)CC[NH3+])c1 ZINC000020399796 187936569 /nfs/dbraw/zinc/93/65/69/187936569.db2.gz KLSBSIBSHSQXEK-GFCCVEGCSA-N 1 0 237.343 2.073 10 0 BEAERO [NH3+]Cc1ccccc1COc1cccnc1 ZINC000035727344 187939538 /nfs/dbraw/zinc/93/95/38/187939538.db2.gz ZNYGBDRCYMUGGB-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO C[C@@H]1C[C@@H](c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000083101823 187969149 /nfs/dbraw/zinc/96/91/49/187969149.db2.gz LMHLNLARHRASSD-PWSUYJOCSA-N 1 0 233.311 2.313 10 0 BEAERO CC(C)([NH3+])Cc1cccc(Br)n1 ZINC000083325939 187969734 /nfs/dbraw/zinc/96/97/34/187969734.db2.gz LJMQKEYNHMLWME-UHFFFAOYSA-N 1 0 229.121 2.124 10 0 BEAERO CCCC(CCC)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638898529 353061162 /nfs/dbraw/zinc/06/11/62/353061162.db2.gz ATZZSRFHYOXZKM-WCQYABFASA-N 1 0 240.391 2.256 10 0 BEAERO Cc1cccc(CNC(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000048266315 187951714 /nfs/dbraw/zinc/95/17/14/187951714.db2.gz JDYZPKGNRIQPLL-AWEZNQCLSA-N 1 0 246.354 2.143 10 0 BEAERO Brc1sccc1CC1C[NH2+]C1 ZINC000307440380 353077067 /nfs/dbraw/zinc/07/70/67/353077067.db2.gz XQOCTQKVWYLYEX-UHFFFAOYSA-N 1 0 232.146 2.273 10 0 BEAERO N[C@@H](CC[NH3+])c1c(Cl)ccc(Cl)c1F ZINC000306791121 353038524 /nfs/dbraw/zinc/03/85/24/353038524.db2.gz ZWYKWUDIKUEFDH-ZETCQYMHSA-N 1 0 237.105 2.481 10 0 BEAERO CC(C)(C)c1ccc([C@]2(O)CC[NH2+]C2)cc1 ZINC000071521995 187959325 /nfs/dbraw/zinc/95/93/25/187959325.db2.gz HVNQBPFTLAJHFP-AWEZNQCLSA-N 1 0 219.328 2.165 10 0 BEAERO CC(C)CNc1cc(N)[nH+]cc1Br ZINC000307057320 353051959 /nfs/dbraw/zinc/05/19/59/353051959.db2.gz YEDBQXMUGGVOOO-UHFFFAOYSA-N 1 0 244.136 2.494 10 0 BEAERO CCC1(C[N@@H+]2CCCC3(C2)OCCO3)CCC1 ZINC000307082971 353053232 /nfs/dbraw/zinc/05/32/32/353053232.db2.gz UZVSFRBQQJRFAD-UHFFFAOYSA-N 1 0 239.359 2.406 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C)CS1 ZINC000336751523 188000245 /nfs/dbraw/zinc/00/02/45/188000245.db2.gz GKWWSTHGIUVBES-RHYQMDGZSA-N 1 0 229.389 2.284 10 0 BEAERO F[C@H]1CCC[C@H]1NCc1nccs1 ZINC000307713176 353106799 /nfs/dbraw/zinc/10/67/99/353106799.db2.gz ZQOOQDXQMKNSSR-JGVFFNPUSA-N 1 0 200.282 2.123 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1N(C)Cc1ccccc1 ZINC000307727970 353115255 /nfs/dbraw/zinc/11/52/55/353115255.db2.gz GJQFDJZYVCMCTD-JSGCOSHPSA-N 1 0 218.344 2.259 10 0 BEAERO CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)C(C)(C)C ZINC000308937078 187995299 /nfs/dbraw/zinc/99/52/99/187995299.db2.gz LEAGGLNJPPQCJC-JGVFFNPUSA-N 1 0 227.270 2.324 10 0 BEAERO Cn1nccc1C[NH2+]CCC1CCCC1 ZINC000037739690 180843198 /nfs/dbraw/zinc/84/31/98/180843198.db2.gz CBYJWHDHMPAWCC-UHFFFAOYSA-N 1 0 207.321 2.090 10 0 BEAERO FC(F)(F)c1nc(C[C@H]2CCC[NH2+]2)cs1 ZINC000083336201 188008262 /nfs/dbraw/zinc/00/82/62/188008262.db2.gz ZOWAUFOMTVVJRK-ZCFIWIBFSA-N 1 0 236.262 2.456 10 0 BEAERO Cc1nc(N)sc1SC1CCC([NH3+])CC1 ZINC000055143828 188008522 /nfs/dbraw/zinc/00/85/22/188008522.db2.gz IAACYGVRLRANBW-UHFFFAOYSA-N 1 0 243.401 2.396 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCCSC1 ZINC000061588887 188012106 /nfs/dbraw/zinc/01/21/06/188012106.db2.gz LFFCNXFVDXYEDH-QWRGUYRKSA-N 1 0 215.362 2.041 10 0 BEAERO C[C@H]1C[NH2+][C@@H](CCO)/C1=C\c1ccccc1 ZINC000061943348 188014161 /nfs/dbraw/zinc/01/41/61/188014161.db2.gz ZZDHGVKHPFFKQC-DPUHMWKMSA-N 1 0 217.312 2.060 10 0 BEAERO CC[C@@](C)([NH3+])c1ncc(Cl)cc1F ZINC000307756268 353129333 /nfs/dbraw/zinc/12/93/33/353129333.db2.gz HKDGLBJRYZQFBE-SECBINFHSA-N 1 0 202.660 2.458 10 0 BEAERO CC[C@](C)([NH3+])c1ncc(Cl)cc1F ZINC000307756269 353129387 /nfs/dbraw/zinc/12/93/87/353129387.db2.gz HKDGLBJRYZQFBE-VIFPVBQESA-N 1 0 202.660 2.458 10 0 BEAERO c1coc(CNCc2cn3c(n2)CCCC3)c1 ZINC000263733985 188020759 /nfs/dbraw/zinc/02/07/59/188020759.db2.gz CVIWLDWVEMAKSR-UHFFFAOYSA-N 1 0 231.299 2.102 10 0 BEAERO c1nc2c(s1)CCC[C@H]2C[NH2+]C1CC1 ZINC000232580438 353138379 /nfs/dbraw/zinc/13/83/79/353138379.db2.gz OVMQCCBHKQPPFK-QMMMGPOBSA-N 1 0 208.330 2.315 10 0 BEAERO CC(C)C[C@H](C)[NH2+][C@H]1CN2CCC1CC2 ZINC000019946642 188004962 /nfs/dbraw/zinc/00/49/62/188004962.db2.gz RKMZQTBJYNFYJA-AAEUAGOBSA-N 1 0 210.365 2.105 10 0 BEAERO CC(C)[C@H](C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055123046 188048983 /nfs/dbraw/zinc/04/89/83/188048983.db2.gz QCHKHYDOYUSBRV-TUAOUCFPSA-N 1 0 226.364 2.055 10 0 BEAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)cs1 ZINC000638994668 353233991 /nfs/dbraw/zinc/23/39/91/353233991.db2.gz QLYUMBQRPNLFEW-SNVBAGLBSA-N 1 0 238.356 2.385 10 0 BEAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000638994999 353235254 /nfs/dbraw/zinc/23/52/54/353235254.db2.gz UTZYZNBQJFLYOB-ONGXEEELSA-N 1 0 238.356 2.370 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000309364188 538111508 /nfs/dbraw/zinc/11/15/08/538111508.db2.gz DLAPGVFMGNHIHX-VXGBXAGGSA-N 1 0 226.364 2.010 10 0 BEAERO CCC[C@H](C)C(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000309364186 538111537 /nfs/dbraw/zinc/11/15/37/538111537.db2.gz DLAPGVFMGNHIHX-RYUDHWBXSA-N 1 0 226.364 2.010 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCC(=O)C2)C1 ZINC000252195192 363210268 /nfs/dbraw/zinc/21/02/68/363210268.db2.gz VKXYGWDCZXNINZ-TUAOUCFPSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000638998387 353241567 /nfs/dbraw/zinc/24/15/67/353241567.db2.gz VNYMMSBLXRVQJM-WXHSDQCUSA-N 1 0 238.375 2.199 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCCN(C)C2)CC1 ZINC000084339333 538113857 /nfs/dbraw/zinc/11/38/57/538113857.db2.gz INJUDPZUGLNEBE-RUXDESIVSA-N 1 0 224.392 2.497 10 0 BEAERO FC1(F)Oc2ccc([C@@H]3CC[NH2+]3)cc2O1 ZINC000095785161 180919850 /nfs/dbraw/zinc/91/98/50/180919850.db2.gz BBBVLUQYMKIWOR-ZETCQYMHSA-N 1 0 213.183 2.043 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1Cc2ccccc2C1 ZINC000050912689 188258976 /nfs/dbraw/zinc/25/89/76/188258976.db2.gz KLQTXXBZBIFISH-AWEZNQCLSA-N 1 0 218.344 2.376 10 0 BEAERO CC1(C)CC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000367710322 188253807 /nfs/dbraw/zinc/25/38/07/188253807.db2.gz WOQAKQILHIWBFF-FIQHERPVSA-N 1 0 209.333 2.047 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cncs1 ZINC000124358662 188257427 /nfs/dbraw/zinc/25/74/27/188257427.db2.gz STUSNBSZZZJIOA-PWSUYJOCSA-N 1 0 240.372 2.294 10 0 BEAERO Cc1cc(C[NH2+]CC(C)(C)CO)cc(C)c1O ZINC000135078106 538114674 /nfs/dbraw/zinc/11/46/74/538114674.db2.gz YQJHXIITSUENNL-UHFFFAOYSA-N 1 0 237.343 2.117 10 0 BEAERO C[C@H]1[NH2+]CCO[C@H]1c1ccc(Cl)cc1 ZINC000003604767 188276093 /nfs/dbraw/zinc/27/60/93/188276093.db2.gz LKRMGIFWZXHLGL-LDYMZIIASA-N 1 0 211.692 2.389 10 0 BEAERO CC(C)C[C@@H](N)c1nc(-c2ccccn2)no1 ZINC000020558799 188277791 /nfs/dbraw/zinc/27/77/91/188277791.db2.gz OUVYGZVGKKVWFN-SECBINFHSA-N 1 0 232.287 2.178 10 0 BEAERO COc1ccc(N)cc1C[N@H+](C)C(C)C ZINC000036722223 188278894 /nfs/dbraw/zinc/27/88/94/188278894.db2.gz QFSCTNVSIIMGFC-UHFFFAOYSA-N 1 0 208.305 2.118 10 0 BEAERO CC(C)[C@H]([NH3+])c1nc2c(cccc2F)[nH]1 ZINC000037442381 188280678 /nfs/dbraw/zinc/28/06/78/188280678.db2.gz KIONXDXSSDUOGF-VIFPVBQESA-N 1 0 207.252 2.358 10 0 BEAERO CC1(C)Cc2cccc(OCCCC(N)=[NH2+])c2O1 ZINC000019506183 188281214 /nfs/dbraw/zinc/28/12/14/188281214.db2.gz SLXUDLZSHYTNRM-UHFFFAOYSA-N 1 0 248.326 2.495 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)Nc1cc(F)ccc1F ZINC000019474382 188281219 /nfs/dbraw/zinc/28/12/19/188281219.db2.gz VDADCUYSCBYSJY-JTQLQIEISA-N 1 0 242.269 2.277 10 0 BEAERO CC(C)(C)c1ccccc1OCC[C@@H](O)C[NH3+] ZINC000019668512 188281319 /nfs/dbraw/zinc/28/13/19/188281319.db2.gz OXNVLNCMIWNRFJ-LLVKDONJSA-N 1 0 237.343 2.073 10 0 BEAERO CC(C)(C)c1ccc(SC[C@H](O)C[NH3+])cc1 ZINC000019686841 188281394 /nfs/dbraw/zinc/28/13/94/188281394.db2.gz NBFOCVSKTPNPGR-LLVKDONJSA-N 1 0 239.384 2.396 10 0 BEAERO CC(C)[N@H+](CC(N)=S)Cc1ccccc1 ZINC000019517915 188281797 /nfs/dbraw/zinc/28/17/97/188281797.db2.gz DSJNWBVUHSQXGZ-UHFFFAOYSA-N 1 0 222.357 2.183 10 0 BEAERO COc1ccc(OC[C@H]([NH3+])C(C)(C)C)cc1 ZINC000023070691 188283403 /nfs/dbraw/zinc/28/34/03/188283403.db2.gz UXGGQLDQGHLTJQ-LBPRGKRZSA-N 1 0 223.316 2.447 10 0 BEAERO COc1ccc([C@H]([NH3+])c2ccoc2)c(OC)c1 ZINC000035379816 188285536 /nfs/dbraw/zinc/28/55/36/188285536.db2.gz XCYFVLLJFDFSGW-CYBMUJFWSA-N 1 0 233.267 2.345 10 0 BEAERO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1N ZINC000036786514 188286286 /nfs/dbraw/zinc/28/62/86/188286286.db2.gz JOSSDHGMFSJIKR-NSHDSACASA-N 1 0 249.358 2.184 10 0 BEAERO CC(C)(c1ccccc1)[C@@H]([NH3+])Cc1ncc[nH]1 ZINC000036946768 188286486 /nfs/dbraw/zinc/28/64/86/188286486.db2.gz FSDGAHCPDZQSKJ-LBPRGKRZSA-N 1 0 229.327 2.257 10 0 BEAERO CCCCOC[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000037093473 188286604 /nfs/dbraw/zinc/28/66/04/188286604.db2.gz SJLPNLOWZVTYSR-NSHDSACASA-N 1 0 237.299 2.232 10 0 BEAERO NC(=O)c1ccccc1C[NH2+]CC1CCCC1 ZINC000037258529 188286900 /nfs/dbraw/zinc/28/69/00/188286900.db2.gz PQURMVOVVBQKBH-UHFFFAOYSA-N 1 0 232.327 2.065 10 0 BEAERO Cc1cccc2[nH]c(CC[NH2+]C(C)C)nc21 ZINC000043598587 188295467 /nfs/dbraw/zinc/29/54/67/188295467.db2.gz AFQBESRFBMCMBC-UHFFFAOYSA-N 1 0 217.316 2.412 10 0 BEAERO CC(C)[C@@H]1C[N@H+](C2CCCC2)[C@H](C)CN1 ZINC000083085183 188295525 /nfs/dbraw/zinc/29/55/25/188295525.db2.gz OPOSTCSLWURPIT-YPMHNXCESA-N 1 0 210.365 2.247 10 0 BEAERO CC(=O)Nc1cccc(NC[C@@H](C)CC[NH3+])c1 ZINC000049827719 188298475 /nfs/dbraw/zinc/29/84/75/188298475.db2.gz LWNARXGOLGMCDH-JTQLQIEISA-N 1 0 235.331 2.042 10 0 BEAERO CC(C)C[C@H](C[NH3+])C(=O)N1CCCCCC1 ZINC000051690269 188299727 /nfs/dbraw/zinc/29/97/27/188299727.db2.gz CSBXHKZXXHAGKS-GFCCVEGCSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)N(C)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145630 188300100 /nfs/dbraw/zinc/30/01/00/188300100.db2.gz JPIMAHVYDXPOOQ-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc(O)c(Cl)c1 ZINC000054929226 188300116 /nfs/dbraw/zinc/30/01/16/188300116.db2.gz SOBRQEGEWJNKPJ-PWSUYJOCSA-N 1 0 243.734 2.452 10 0 BEAERO CCCn1cnnc1[C@]1([NH3+])CCC[C@H](C)C1 ZINC000054497873 188300262 /nfs/dbraw/zinc/30/02/62/188300262.db2.gz DYJGNQFVQCCFCM-JQWIXIFHSA-N 1 0 222.336 2.052 10 0 BEAERO Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054291019 188300841 /nfs/dbraw/zinc/30/08/41/188300841.db2.gz LFTVNDCYPMJYMA-AWEZNQCLSA-N 1 0 246.354 2.001 10 0 BEAERO C[N@@H+]1CCC[C@@H](CNc2ccc(O)cc2)C1 ZINC000054242468 188301006 /nfs/dbraw/zinc/30/10/06/188301006.db2.gz MEJAEJKXFRZSCM-NSHDSACASA-N 1 0 220.316 2.146 10 0 BEAERO CCc1nccn1-c1c(F)cc(C[NH3+])cc1F ZINC000062719737 188302955 /nfs/dbraw/zinc/30/29/55/188302955.db2.gz FOCACBYCPOSENE-UHFFFAOYSA-N 1 0 237.253 2.172 10 0 BEAERO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1CC(F)(F)F ZINC000062618673 188303044 /nfs/dbraw/zinc/30/30/44/188303044.db2.gz WIVGZWYMKXQNIT-VHSXEESVSA-N 1 0 238.297 2.257 10 0 BEAERO CC(C)(C)c1ccc(OCC[C@@H]([NH3+])CO)cc1 ZINC000071548434 188306262 /nfs/dbraw/zinc/30/62/62/188306262.db2.gz OARZQINOSFVSEB-GFCCVEGCSA-N 1 0 237.343 2.073 10 0 BEAERO CC(C)(C)c1ccccc1NC[C@@H](O)CC[NH3+] ZINC000071547480 188306458 /nfs/dbraw/zinc/30/64/58/188306458.db2.gz ZHPHLFPURUIOBY-NSHDSACASA-N 1 0 236.359 2.106 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000261507239 188260261 /nfs/dbraw/zinc/26/02/61/188260261.db2.gz GTMJBUVQKIEMFM-JTQLQIEISA-N 1 0 240.347 2.186 10 0 BEAERO CC(=O)CC[N@@H+](C)Cc1ccc(C)s1 ZINC000102774582 188322510 /nfs/dbraw/zinc/32/25/10/188322510.db2.gz XQKNALRNZHROCR-UHFFFAOYSA-N 1 0 211.330 2.467 10 0 BEAERO CCCCOc1ccc2c(c1)NC(=O)[C@H]2[NH2+]CC ZINC000103918267 188323808 /nfs/dbraw/zinc/32/38/08/188323808.db2.gz MFDLVJAHQOXTLG-ZDUSSCGKSA-N 1 0 248.326 2.468 10 0 BEAERO Cc1ccc(Br)c(C[NH3+])c1F ZINC000075844817 188308940 /nfs/dbraw/zinc/30/89/40/188308940.db2.gz DOTIHHCSFFANIS-UHFFFAOYSA-N 1 0 218.069 2.355 10 0 BEAERO CC(C)c1ccc(NC(=O)C2(C[NH3+])CC2)cc1 ZINC000077364012 188310938 /nfs/dbraw/zinc/31/09/38/188310938.db2.gz KFDQOPOVQZUZAV-UHFFFAOYSA-N 1 0 232.327 2.487 10 0 BEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C2(CCCC2)C1 ZINC000082327532 188312517 /nfs/dbraw/zinc/31/25/17/188312517.db2.gz YVIQTBXNODXXGZ-SNVBAGLBSA-N 1 0 240.347 2.125 10 0 BEAERO CC(C)N(C[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095088182 188318917 /nfs/dbraw/zinc/31/89/17/188318917.db2.gz WPQNSEWHHSYEHA-SECBINFHSA-N 1 0 224.270 2.216 10 0 BEAERO CC(C)C[C@@H]1CO[C@H](c2ccco2)C[NH2+]1 ZINC000040796991 188319729 /nfs/dbraw/zinc/31/97/29/188319729.db2.gz ATDXHZPFHHQKKN-PWSUYJOCSA-N 1 0 209.289 2.355 10 0 BEAERO C[C@H]1C[NH2+]C[C@H]1c1nc2c(cccc2F)n1C ZINC000104225401 188324490 /nfs/dbraw/zinc/32/44/90/188324490.db2.gz XBPQIQVDYRITLX-DTWKUNHWSA-N 1 0 233.290 2.035 10 0 BEAERO Cc1cc(N)c[nH+]c1NCc1nccs1 ZINC000052812957 188333453 /nfs/dbraw/zinc/33/34/53/188333453.db2.gz ULCUZIXGXGWHFO-UHFFFAOYSA-N 1 0 220.301 2.041 10 0 BEAERO CC(C)CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000055090663 353346574 /nfs/dbraw/zinc/34/65/74/353346574.db2.gz GHNNYHGCFNJWHB-STQMWFEESA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336697954 188337127 /nfs/dbraw/zinc/33/71/27/188337127.db2.gz JAPFNEWCROJBST-MJBXVCDLSA-N 1 0 242.407 2.120 10 0 BEAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000309754876 188346793 /nfs/dbraw/zinc/34/67/93/188346793.db2.gz HJFAZQBRCUFAIE-ONGXEEELSA-N 1 0 237.372 2.271 10 0 BEAERO CC1(C)CC[C@H]1[NH2+][C@@H](CO)CC(F)(F)F ZINC000336760303 188348802 /nfs/dbraw/zinc/34/88/02/188348802.db2.gz MDXVVHRFKIWJHY-HTQZYQBOSA-N 1 0 225.254 2.078 10 0 BEAERO CC(C)Cc1scnc1[C@H]1CC[NH2+]C1 ZINC000082374021 188350596 /nfs/dbraw/zinc/35/05/96/188350596.db2.gz JHPOHUCXRFUFRF-VIFPVBQESA-N 1 0 210.346 2.419 10 0 BEAERO CC(C)[C@@](C)(O)C[NH+]1CCC2(CC2)CC1 ZINC000364358137 188351401 /nfs/dbraw/zinc/35/14/01/188351401.db2.gz FCOBMHHUBXZTFN-LBPRGKRZSA-N 1 0 211.349 2.269 10 0 BEAERO CC(C)C[C@@H](N)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073486 188351444 /nfs/dbraw/zinc/35/14/44/188351444.db2.gz PFEXFQONOYGOKR-FRRDWIJNSA-N 1 0 212.381 2.338 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CN3CCC2CC3)C1 ZINC000019946237 188351613 /nfs/dbraw/zinc/35/16/13/188351613.db2.gz QKXDVYJIQBTSKB-IACUBPJLSA-N 1 0 222.376 2.249 10 0 BEAERO CC(C)[C@H](c1nc(-c2cccnc2)no1)[C@@H](C)[NH3+] ZINC000109495162 188352092 /nfs/dbraw/zinc/35/20/92/188352092.db2.gz MZJMGDDXQLIDDM-KOLCDFICSA-N 1 0 246.314 2.218 10 0 BEAERO CC(C)[C@@H]([NH3+])c1nncn1C1CCCC1 ZINC000054526415 188355090 /nfs/dbraw/zinc/35/50/90/188355090.db2.gz XNTBFTONAPTPQV-SNVBAGLBSA-N 1 0 208.309 2.049 10 0 BEAERO CC(C)C[C@@H]1C[N@H+](CC(C)C)CCCN1 ZINC000062571061 188360363 /nfs/dbraw/zinc/36/03/63/188360363.db2.gz UQHJUEAMHZDBKJ-CYBMUJFWSA-N 1 0 212.381 2.352 10 0 BEAERO Cc1nccn1-c1ccc(C[NH3+])c(Cl)c1 ZINC000061846483 188360970 /nfs/dbraw/zinc/36/09/70/188360970.db2.gz QUBXGNHFCAWHAU-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366346258 188368743 /nfs/dbraw/zinc/36/87/43/188368743.db2.gz KSEJRHUFJRVJEY-AGIUHOORSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1CCC[N@@H+]1[C@H](CN)c1cccs1 ZINC000252215993 363221226 /nfs/dbraw/zinc/22/12/26/363221226.db2.gz XROIELXLESQYES-VHSXEESVSA-N 1 0 210.346 2.232 10 0 BEAERO Fc1ccc2c(c1)CCC1(CC[NH2+]CC1)O2 ZINC000036141508 180984678 /nfs/dbraw/zinc/98/46/78/180984678.db2.gz KTMLNYJPYQAEME-UHFFFAOYSA-N 1 0 221.275 2.273 10 0 BEAERO Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000399012068 353586820 /nfs/dbraw/zinc/58/68/20/353586820.db2.gz BZSPXDSPDJQNSJ-ZYHUDNBSSA-N 1 0 249.314 2.456 10 0 BEAERO CC(C)C(=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000231055951 353558508 /nfs/dbraw/zinc/55/85/08/353558508.db2.gz DEGVXYUUUBIWIY-UHFFFAOYSA-N 1 0 229.389 2.429 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(Br)o1 ZINC000252413340 363238893 /nfs/dbraw/zinc/23/88/93/363238893.db2.gz OLGFTDQHASOYEV-LYFYHCNISA-N 1 0 230.105 2.493 10 0 BEAERO C[C@H](C[NH3+])Nc1cc(F)ccc1Cl ZINC000231814167 353663116 /nfs/dbraw/zinc/66/31/16/353663116.db2.gz JSYQUFUBINRATO-ZCFIWIBFSA-N 1 0 202.660 2.238 10 0 BEAERO Cn1ncc(Cl)c1[C@H]([NH3+])CC1CCC1 ZINC000232184093 353705396 /nfs/dbraw/zinc/70/53/96/353705396.db2.gz OUXVELKBLCRBGS-SECBINFHSA-N 1 0 213.712 2.264 10 0 BEAERO Fc1cccc(F)c1N1CCC[NH2+]CCC1 ZINC000049665791 181000458 /nfs/dbraw/zinc/00/04/58/181000458.db2.gz YXJDMROUQVGISC-UHFFFAOYSA-N 1 0 226.270 2.155 10 0 BEAERO [NH3+][C@@H](C1CC1)[C@@H]1Cc2ccccc2S1 ZINC000097239556 353715231 /nfs/dbraw/zinc/71/52/31/353715231.db2.gz CBZGLGRVEPMWKH-RYUDHWBXSA-N 1 0 205.326 2.441 10 0 BEAERO Fc1cccc(NCC[NH+]2CCCC2)c1 ZINC000041217527 181001446 /nfs/dbraw/zinc/00/14/46/181001446.db2.gz AXCAVFIHCLZPBP-UHFFFAOYSA-N 1 0 208.280 2.333 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]CCC(C)C ZINC000190778992 353723614 /nfs/dbraw/zinc/72/36/14/353723614.db2.gz ANAOMNFVIVWBMV-LLVKDONJSA-N 1 0 222.336 2.057 10 0 BEAERO Fc1cccc(OC2CC[NH2+]CC2)c1F ZINC000062615196 181003228 /nfs/dbraw/zinc/00/32/28/181003228.db2.gz OXPYLCVAZNIRIV-UHFFFAOYSA-N 1 0 213.227 2.096 10 0 BEAERO C[N@H+]([C@H]1CCSC1)[C@H]1CCCCCC1=O ZINC000252439832 363249857 /nfs/dbraw/zinc/24/98/57/363249857.db2.gz TWJLVFWRYMETTG-QWRGUYRKSA-N 1 0 227.373 2.326 10 0 BEAERO C[C@H]1[C@H](SC2CCOCC2)CC[C@@H]1[NH3+] ZINC000252469702 363283718 /nfs/dbraw/zinc/28/37/18/363283718.db2.gz WSRNEYZJVREIEY-DVVUODLYSA-N 1 0 215.362 2.024 10 0 BEAERO CC[C@H]([NH2+]CC[C@H](O)C(F)(F)F)[C@H]1C[C@@H]1C ZINC000639171397 354136144 /nfs/dbraw/zinc/13/61/44/354136144.db2.gz BUWIPUVYVCRISP-XKNYDFJKSA-N 1 0 239.281 2.324 10 0 BEAERO CCC[S@](=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000252475420 363334843 /nfs/dbraw/zinc/33/48/43/363334843.db2.gz BYCZYRCJPPJHJG-GYSYKLTISA-N 1 0 217.378 2.195 10 0 BEAERO CC(C)CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113225329 354253641 /nfs/dbraw/zinc/25/36/41/354253641.db2.gz GXAOYHOEWFSNKB-CHWSQXEVSA-N 1 0 238.375 2.118 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)(C)C ZINC000113233265 354319026 /nfs/dbraw/zinc/31/90/26/354319026.db2.gz GWHDIYFBKOKJTC-NWDGAFQWSA-N 1 0 238.375 2.118 10 0 BEAERO Cc1nnc([C@H](C)[N@@H+]2CC3(CCC3)C[C@H]2C)[nH]1 ZINC000334645878 354435753 /nfs/dbraw/zinc/43/57/53/354435753.db2.gz PQMYGWOJJRBDTF-ZJUUUORDSA-N 1 0 234.347 2.439 10 0 BEAERO Cc1c[nH+]ccc1N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334645288 354403982 /nfs/dbraw/zinc/40/39/82/354403982.db2.gz OESZUUVPOXLLTL-OCCSQVGLSA-N 1 0 244.338 2.395 10 0 BEAERO C[C@H](c1nncn1C)[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000335085681 354619554 /nfs/dbraw/zinc/61/95/54/354619554.db2.gz LDCXXBKQAMRNOG-GHMZBOCLSA-N 1 0 234.347 2.141 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C)nn1C ZINC000233307129 363398535 /nfs/dbraw/zinc/39/85/35/363398535.db2.gz YYIBAJOFTDAOTC-ZYHUDNBSSA-N 1 0 207.321 2.007 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000040502186 358493045 /nfs/dbraw/zinc/49/30/45/358493045.db2.gz JIIISOGSMPUZSM-GXTWGEPZSA-N 1 0 233.359 2.217 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2ccccc2OC)C1 ZINC000040502035 358493100 /nfs/dbraw/zinc/49/31/00/358493100.db2.gz KXHQRPZSIMGRFQ-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000040502184 358493205 /nfs/dbraw/zinc/49/32/05/358493205.db2.gz GGYBWYPDJLFNRU-GXTWGEPZSA-N 1 0 233.359 2.217 10 0 BEAERO CC[C@H]([NH3+])CNc1nc2ccccc2nc1C ZINC000113452404 354985798 /nfs/dbraw/zinc/98/57/98/354985798.db2.gz REJVENQNFKAUOM-JTQLQIEISA-N 1 0 230.315 2.087 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000040502995 358493797 /nfs/dbraw/zinc/49/37/97/358493797.db2.gz PORNHQTXJNSOQL-NSHDSACASA-N 1 0 239.388 2.025 10 0 BEAERO CCCCC[C@H](C)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062839890 168741733 /nfs/dbraw/zinc/74/17/33/168741733.db2.gz PUOOGEKJKOFXQF-LBPRGKRZSA-N 1 0 240.391 2.461 10 0 BEAERO NC(=[NH2+])Cc1ccc(OCc2ccccn2)cc1 ZINC000019476387 181188190 /nfs/dbraw/zinc/18/81/90/181188190.db2.gz KTDNVWCBZABLOZ-UHFFFAOYSA-N 1 0 241.294 2.139 10 0 BEAERO NC(=[NH2+])Cc1ccc(OCC(F)(F)F)cc1 ZINC000019476748 181188348 /nfs/dbraw/zinc/18/83/48/181188348.db2.gz YQWTWCOAVSSLMO-UHFFFAOYSA-N 1 0 232.205 2.106 10 0 BEAERO NC(=[NH2+])c1c(Cl)ccc2cnccc21 ZINC000082768596 181192729 /nfs/dbraw/zinc/19/27/29/181192729.db2.gz FOTCCAZMEIUVIJ-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1cc(Oc2ccccc2)ccn1 ZINC000061814467 181193761 /nfs/dbraw/zinc/19/37/61/181193761.db2.gz TVIWUOCEYXJYSO-UHFFFAOYSA-N 1 0 213.240 2.158 10 0 BEAERO NC(=[NH2+])c1ccc(CSc2ncccn2)cc1 ZINC000019870355 181194984 /nfs/dbraw/zinc/19/49/84/181194984.db2.gz ZQJADMWXPPKZHP-UHFFFAOYSA-N 1 0 244.323 2.053 10 0 BEAERO NC(=[NH2+])c1cccnc1Oc1ccc(F)cc1F ZINC000019505458 181196074 /nfs/dbraw/zinc/19/60/74/181196074.db2.gz CFSOEGLJAAWEGV-UHFFFAOYSA-N 1 0 249.220 2.436 10 0 BEAERO C[C@@H](C[NH3+])Sc1ccc(Cl)cc1N ZINC000160243369 355571647 /nfs/dbraw/zinc/57/16/47/355571647.db2.gz CANXGVSJRFAXOF-LURJTMIESA-N 1 0 216.737 2.362 10 0 BEAERO [NH2+]=C1CCCCN1C[C@@H]1Cc2ccccc2O1 ZINC000051086889 181206780 /nfs/dbraw/zinc/20/67/80/181206780.db2.gz RAMFJQDSRWDOOA-LBPRGKRZSA-N 1 0 230.311 2.453 10 0 BEAERO [NH2+]=C1c2ccccc2CN1C[C@@H]1CCCCO1 ZINC000042821876 181207663 /nfs/dbraw/zinc/20/76/63/181207663.db2.gz PMWXSVGCZLBOPR-LBPRGKRZSA-N 1 0 230.311 2.397 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389180668 355763546 /nfs/dbraw/zinc/76/35/46/355763546.db2.gz QHVWLFVHRUBEMP-OLZOCXBDSA-N 1 0 212.381 2.352 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC000389192281 355834945 /nfs/dbraw/zinc/83/49/45/355834945.db2.gz VRAOCRDOBBSDLD-CQSZACIVSA-N 1 0 236.334 2.318 10 0 BEAERO Cc1ccc(N[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000399241604 355869131 /nfs/dbraw/zinc/86/91/31/355869131.db2.gz ULISWARYDNQBCZ-QWRGUYRKSA-N 1 0 249.314 2.456 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ccc(F)cc2C#N)C[NH2+]1 ZINC000399044811 355832491 /nfs/dbraw/zinc/83/24/91/355832491.db2.gz UCFLWQUMXJBQAV-BXKDBHETSA-N 1 0 233.290 2.250 10 0 BEAERO CCC[C@H](C)[C@@H](CC)[NH2+]CCn1cncn1 ZINC000167010554 355949094 /nfs/dbraw/zinc/94/90/94/355949094.db2.gz FLROLQREOWKCGV-NWDGAFQWSA-N 1 0 224.352 2.083 10 0 BEAERO C/C(=C/Cl)C[NH2+][C@H]1COC(C)(C)C1 ZINC000396559808 356482321 /nfs/dbraw/zinc/48/23/21/356482321.db2.gz SICRBWAWPUGVNI-BZJXQOFCSA-N 1 0 203.713 2.286 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOCC1CCCC1 ZINC000421028834 192310282 /nfs/dbraw/zinc/31/02/82/192310282.db2.gz UQTWQVAUNVDPPV-GXTWGEPZSA-N 1 0 241.375 2.038 10 0 BEAERO [NH3+]C[C@@H]1CCCN1Cc1cscc1Cl ZINC000306400323 491097628 /nfs/dbraw/zinc/09/76/28/491097628.db2.gz NESXZYBZDKCQPH-VIFPVBQESA-N 1 0 230.764 2.325 10 0 BEAERO CCC[C@@H](C)C[NH+]1CCC(n2cncn2)CC1 ZINC000179902397 535325673 /nfs/dbraw/zinc/32/56/73/535325673.db2.gz MBWCJIQRFZSDBI-GFCCVEGCSA-N 1 0 236.363 2.351 10 0 BEAERO CCC[C@@H](C)C(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051778 538475286 /nfs/dbraw/zinc/47/52/86/538475286.db2.gz TXKYDEXJQGRTFH-BZPMIXESSA-N 1 0 238.375 2.071 10 0 BEAERO CCN1CC[C@@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000675055617 538475984 /nfs/dbraw/zinc/47/59/84/538475984.db2.gz VXVXVWJHMVNECP-OLZOCXBDSA-N 1 0 222.307 2.310 10 0 BEAERO CCN1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000675055731 538476594 /nfs/dbraw/zinc/47/65/94/538476594.db2.gz XCRZSIVFQRADFW-OLZOCXBDSA-N 1 0 222.307 2.310 10 0 BEAERO Cc1cn2cc(NC(=O)c3ccco3)ccc2n1 ZINC000041305075 358508400 /nfs/dbraw/zinc/50/84/00/358508400.db2.gz LPGMSNVDDLSTDK-UHFFFAOYSA-N 1 0 241.250 2.488 10 0 BEAERO CCOc1ccc([C@@H](C)[NH2+]CCCOC)o1 ZINC000675056131 538477934 /nfs/dbraw/zinc/47/79/34/538477934.db2.gz CVZHJLYFJFKCMS-SNVBAGLBSA-N 1 0 227.304 2.365 10 0 BEAERO CCC[C@@H](C)C(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056451 538478445 /nfs/dbraw/zinc/47/84/45/538478445.db2.gz QLAIKTOPFRKOLP-YRGRVCCFSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1cn2c(n1)[C@H](CC(C)C)[NH2+]CCC2 ZINC000675068378 538496492 /nfs/dbraw/zinc/49/64/92/538496492.db2.gz PRNLISKVSDINQX-NSHDSACASA-N 1 0 207.321 2.272 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](c2ccc(F)cc2)CO1 ZINC000675060111 538486093 /nfs/dbraw/zinc/48/60/93/538486093.db2.gz AJEBGSWQZZEZRR-ZYHUDNBSSA-N 1 0 209.264 2.047 10 0 BEAERO CCc1cn2c(n1)[C@@H](CCSC)[NH2+]CCC2 ZINC000675068600 538497209 /nfs/dbraw/zinc/49/72/09/538497209.db2.gz QYRLMFCUPHTLGS-LLVKDONJSA-N 1 0 239.388 2.233 10 0 BEAERO Cc1cn2c(n1)[C@H](CC1CC1)[NH2+]CCC2 ZINC000675067366 538493229 /nfs/dbraw/zinc/49/32/29/538493229.db2.gz BDQIKWLFXXGSQO-NSHDSACASA-N 1 0 205.305 2.026 10 0 BEAERO Cc1cc([C@H]2CC[NH2+]C2)c(C)cc1C=O ZINC000675072379 538503267 /nfs/dbraw/zinc/50/32/67/538503267.db2.gz DYFVYMWVTWZOLV-NSHDSACASA-N 1 0 203.285 2.193 10 0 BEAERO CC(C)C(=O)O[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000003631424 356676641 /nfs/dbraw/zinc/67/66/41/356676641.db2.gz AKINKDOLVIOTCB-RYUDHWBXSA-N 1 0 225.332 2.203 10 0 BEAERO CC(C)C1CCC2(CC1)OC[C@@H]1C[C@@]12[NH3+] ZINC000675073704 538505741 /nfs/dbraw/zinc/50/57/41/538505741.db2.gz MSQRUIHWLIBKFQ-PYNQCMFNSA-N 1 0 209.333 2.319 10 0 BEAERO Fc1cccc([C@H]2C[C@H](F)C[NH2+]2)c1F ZINC000675082621 538523039 /nfs/dbraw/zinc/52/30/39/538523039.db2.gz QJGSIERRBPZAFW-IMTBSYHQSA-N 1 0 201.191 2.337 10 0 BEAERO C[N@H+](CCOc1cncc(Cl)c1)C1CC1 ZINC000675077124 538512660 /nfs/dbraw/zinc/51/26/60/538512660.db2.gz YFURFNLVFJNZOD-UHFFFAOYSA-N 1 0 226.707 2.208 10 0 BEAERO Cc1cc(Br)ccc1[C@H](O)CC[NH3+] ZINC000083557825 538513166 /nfs/dbraw/zinc/51/31/66/538513166.db2.gz VQWTWDUMPJGUBQ-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO C[C@]1(CC2CCCC2)[NH2+]CCc2nc[nH]c21 ZINC000221389257 538559769 /nfs/dbraw/zinc/55/97/69/538559769.db2.gz UUZIWTBSEDJGLF-CYBMUJFWSA-N 1 0 219.332 2.351 10 0 BEAERO C[C@@]1(CC2CCCC2)[NH2+]CCc2nc[nH]c21 ZINC000221389199 538559792 /nfs/dbraw/zinc/55/97/92/538559792.db2.gz UUZIWTBSEDJGLF-ZDUSSCGKSA-N 1 0 219.332 2.351 10 0 BEAERO C[C@](O)(CC[NH3+])c1ccc(Br)cc1 ZINC000085899406 538547550 /nfs/dbraw/zinc/54/75/50/538547550.db2.gz WKAFWBXSWZHMOA-JTQLQIEISA-N 1 0 244.132 2.005 10 0 BEAERO CC(C)(C[NH3+])[C@@H](O)c1cc(Cl)cs1 ZINC000086335033 538553492 /nfs/dbraw/zinc/55/34/92/538553492.db2.gz OMTFJHPBUWBUOV-QMMMGPOBSA-N 1 0 219.737 2.420 10 0 BEAERO CC[C@H](C[NH3+])[C@H](O)c1ccsc1Cl ZINC000312624884 538563063 /nfs/dbraw/zinc/56/30/63/538563063.db2.gz NQQUCIGPCOGCBN-SVRRBLITSA-N 1 0 219.737 2.420 10 0 BEAERO O=C1c2ccsc2CC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000086499622 538556129 /nfs/dbraw/zinc/55/61/29/538556129.db2.gz KWDAZMKAHWIBBX-PSASIEDQSA-N 1 0 221.325 2.245 10 0 BEAERO O=C(C[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000086499755 538556247 /nfs/dbraw/zinc/55/62/47/538556247.db2.gz FFISAJLSKPMPOJ-JTQLQIEISA-N 1 0 209.314 2.463 10 0 BEAERO COc1ccc([C@H]2C[C@@H](F)C[NH2+]2)cc1OC ZINC000675082638 538523578 /nfs/dbraw/zinc/52/35/78/538523578.db2.gz RNRNPNYBVVKFSV-NXEZZACHSA-N 1 0 225.263 2.076 10 0 BEAERO COCc1ccccc1CC[NH2+]C(C)C ZINC000083969058 538525024 /nfs/dbraw/zinc/52/50/24/538525024.db2.gz QCYCCJUSDKUPHY-UHFFFAOYSA-N 1 0 207.317 2.374 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084300794 538528518 /nfs/dbraw/zinc/52/85/18/538528518.db2.gz QKPRNENUGIJRRL-ZJUUUORDSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@H]1CC[NH2+][C@@H](CC(=O)c2nccs2)C1 ZINC000130355544 538588886 /nfs/dbraw/zinc/58/88/86/538588886.db2.gz MADWVPMRLOOLLW-DTWKUNHWSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@@H]1CCC[C@H](CC(=O)c2cncs2)[NH2+]1 ZINC000130391705 538589324 /nfs/dbraw/zinc/58/93/24/538589324.db2.gz BFFOEBGGWYLZAB-RKDXNWHRSA-N 1 0 224.329 2.247 10 0 BEAERO C[C@H]1CC[NH2+][C@H](CC(=O)c2ccoc2)C1 ZINC000130366115 538590454 /nfs/dbraw/zinc/59/04/54/538590454.db2.gz MYVXERIWCOKEDB-ONGXEEELSA-N 1 0 207.273 2.241 10 0 BEAERO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384955057 356815087 /nfs/dbraw/zinc/81/50/87/356815087.db2.gz VUVPZLXDNPFHLP-SWLSCSKDSA-N 1 0 244.338 2.212 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000257588512 538737483 /nfs/dbraw/zinc/73/74/83/538737483.db2.gz YDXVZAXBJZIPGH-RYUDHWBXSA-N 1 0 224.735 2.434 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000389540752 356986108 /nfs/dbraw/zinc/98/61/08/356986108.db2.gz KFADBHDOJRRAHR-AVGNSLFASA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000389545596 356986873 /nfs/dbraw/zinc/98/68/73/356986873.db2.gz LYJPZKVNPJGQTN-CQSZACIVSA-N 1 0 243.354 2.352 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000389551252 356987885 /nfs/dbraw/zinc/98/78/85/356987885.db2.gz OVHOWCZRKPAWNH-CQSZACIVSA-N 1 0 243.354 2.352 10 0 BEAERO CC[C@@H](O)C[NH+]1CCC(c2nccs2)CC1 ZINC000363286050 356953433 /nfs/dbraw/zinc/95/34/33/356953433.db2.gz AHVSXEVMMMCBKR-LLVKDONJSA-N 1 0 240.372 2.093 10 0 BEAERO Cc1cccc(CC[N@@H+]2CCC[C@H]2CCCO)n1 ZINC000399736566 357033115 /nfs/dbraw/zinc/03/31/15/357033115.db2.gz UZBZSUHGJLVLDN-HNNXBMFYSA-N 1 0 248.370 2.169 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncnc2ccsc21 ZINC000389710716 357017833 /nfs/dbraw/zinc/01/78/33/357017833.db2.gz UOMFFXPISKBSJD-SCZZXKLOSA-N 1 0 248.355 2.101 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncnc2ccsc21 ZINC000389710714 357018212 /nfs/dbraw/zinc/01/82/12/357018212.db2.gz UOMFFXPISKBSJD-PSASIEDQSA-N 1 0 248.355 2.101 10 0 BEAERO [NH3+]CCCc1cc(F)ccc1Br ZINC000035321560 357069850 /nfs/dbraw/zinc/06/98/50/357069850.db2.gz GNXBCQYHHVDEFJ-UHFFFAOYSA-N 1 0 232.096 2.480 10 0 BEAERO Cc1cc([C@]2(O)CCC[NH2+]CC2)cs1 ZINC000160703159 357183205 /nfs/dbraw/zinc/18/32/05/357183205.db2.gz FMMSFXOWALEVPX-NSHDSACASA-N 1 0 211.330 2.018 10 0 BEAERO C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000393739508 357295238 /nfs/dbraw/zinc/29/52/38/357295238.db2.gz UEVHTCRELJCSLI-GRYCIOLGSA-N 1 0 213.365 2.419 10 0 BEAERO C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000393739676 357295745 /nfs/dbraw/zinc/29/57/45/357295745.db2.gz UEVHTCRELJCSLI-WOPDTQHZSA-N 1 0 213.365 2.419 10 0 BEAERO C[NH2+]C(C)(C)C(=O)c1ccc(F)c(F)c1 ZINC000169177633 357264118 /nfs/dbraw/zinc/26/41/18/357264118.db2.gz NLJDRZXJIYGADU-UHFFFAOYSA-N 1 0 213.227 2.146 10 0 BEAERO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)CC(C)(C)C1 ZINC000393173742 357278621 /nfs/dbraw/zinc/27/86/21/357278621.db2.gz HLBXZDYZSPEYGA-NNYUYHANSA-N 1 0 211.349 2.172 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000393246450 357279496 /nfs/dbraw/zinc/27/94/96/357279496.db2.gz SJMBLZWSHNHCDT-QCLAVDOMSA-N 1 0 237.265 2.078 10 0 BEAERO O[C@@H](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000393947013 357321280 /nfs/dbraw/zinc/32/12/80/357321280.db2.gz SBOGQPPDCFLAAE-JXUBOQSCSA-N 1 0 237.265 2.078 10 0 BEAERO Cc1cc2ccccc2nc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000394477046 357351891 /nfs/dbraw/zinc/35/18/91/357351891.db2.gz PXXLJSLVLOXPQL-MNOVXSKESA-N 1 0 229.327 2.113 10 0 BEAERO Cc1cc2ccccc2nc1N[C@H](C)[C@@H](C)[NH3+] ZINC000394477044 357352074 /nfs/dbraw/zinc/35/20/74/357352074.db2.gz PXXLJSLVLOXPQL-GHMZBOCLSA-N 1 0 229.327 2.113 10 0 BEAERO Cc1cc2ccccc2nc1N[C@@H](C)[C@H](C)[NH3+] ZINC000394477048 357352244 /nfs/dbraw/zinc/35/22/44/357352244.db2.gz PXXLJSLVLOXPQL-QWRGUYRKSA-N 1 0 229.327 2.113 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CC[C@H](C)C2)cnn1C ZINC000230412149 357522245 /nfs/dbraw/zinc/52/22/45/357522245.db2.gz NRBQYKPYGKJBRR-CMPLNLGQSA-N 1 0 221.348 2.254 10 0 BEAERO COC(C)(C)CC[N@@H+]1CCC[C@H]1CCCO ZINC000230414422 357522628 /nfs/dbraw/zinc/52/26/28/357522628.db2.gz HDSLCWQEBYJLGZ-LBPRGKRZSA-N 1 0 229.364 2.038 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CC[C@H]2CCCO2)o1 ZINC000230417620 357524119 /nfs/dbraw/zinc/52/41/19/357524119.db2.gz AHYZPKWOUWPELO-WDEREUQCSA-N 1 0 224.304 2.203 10 0 BEAERO CC(C)NC(=O)[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000063145539 357534479 /nfs/dbraw/zinc/53/44/79/357534479.db2.gz DBZUKFXMVYPUDU-CPCZMJQVSA-N 1 0 240.391 2.315 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCc2cccnc2)o1 ZINC000230647872 357544520 /nfs/dbraw/zinc/54/45/20/357544520.db2.gz SDCIIJNXHHXOFI-LLVKDONJSA-N 1 0 231.299 2.271 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC1CC1 ZINC000085697066 357554559 /nfs/dbraw/zinc/55/45/59/357554559.db2.gz XCMAOHZLRWTTCU-TZMCWYRMSA-N 1 0 222.376 2.345 10 0 BEAERO CSCCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000085697063 357554614 /nfs/dbraw/zinc/55/46/14/357554614.db2.gz QKKJJDPGHJXLNK-QWHCGFSZSA-N 1 0 242.432 2.298 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCOCC2)o1 ZINC000231529620 357609080 /nfs/dbraw/zinc/60/90/80/357609080.db2.gz GNMRSSVPNANCOB-MNOVXSKESA-N 1 0 224.304 2.203 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCOCC2)o1 ZINC000231529579 357609261 /nfs/dbraw/zinc/60/92/61/357609261.db2.gz GNMRSSVPNANCOB-GHMZBOCLSA-N 1 0 224.304 2.203 10 0 BEAERO CC(C)[C@H]1CC(=O)CN1Cc1ccccc1 ZINC000685939326 538886332 /nfs/dbraw/zinc/88/63/32/538886332.db2.gz WYLPOMVDDGPWIQ-CQSZACIVSA-N 1 0 217.312 2.486 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1CC12CCC([NH3+])CC2 ZINC000685945997 538887647 /nfs/dbraw/zinc/88/76/47/538887647.db2.gz INIYCEQBIWPUQR-RUETXSTFSA-N 1 0 225.332 2.236 10 0 BEAERO Cc1c(C[NH2+]C(C)C)ccc2c1OCCO2 ZINC000685947134 538888588 /nfs/dbraw/zinc/88/85/88/538888588.db2.gz JLHFCKHQYARXBG-UHFFFAOYSA-N 1 0 221.300 2.264 10 0 BEAERO O=C(CC1CCC1)Nc1cccc2c1C[NH2+]CC2 ZINC000232165649 357652958 /nfs/dbraw/zinc/65/29/58/357652958.db2.gz AEPNQVUDGDFANT-UHFFFAOYSA-N 1 0 244.338 2.461 10 0 BEAERO CC(C)(C)OC(=O)[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685947299 538889203 /nfs/dbraw/zinc/88/92/03/538889203.db2.gz LMSXUNBNURUDIR-ZWNOBZJWSA-N 1 0 225.332 2.250 10 0 BEAERO C[C@H]1CC[C@](NC(=O)OC(C)(C)C)(C(N)=[NH2+])C1 ZINC000685947957 538889505 /nfs/dbraw/zinc/88/95/05/538889505.db2.gz UPQNWCLDDUMWNY-QPUJVOFHSA-N 1 0 241.335 2.006 10 0 BEAERO CCC[C@@H](C)C(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947904 538889852 /nfs/dbraw/zinc/88/98/52/538889852.db2.gz SSEMZWQJNLCDFH-XSRFYTQQSA-N 1 0 226.364 2.199 10 0 BEAERO [NH3+]CC[C@H]1C[C@@H]1Cc1ccc(F)c(F)c1 ZINC000685948295 538890105 /nfs/dbraw/zinc/89/01/05/538890105.db2.gz GFPZGMWAXCDIAZ-UWVGGRQHSA-N 1 0 211.255 2.492 10 0 BEAERO CC[C@]1([NH3+])CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC000685948091 538890382 /nfs/dbraw/zinc/89/03/82/538890382.db2.gz XENFRVJUZZSWTQ-YPMHNXCESA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCC2(CC2)CC1 ZINC000685951139 538894380 /nfs/dbraw/zinc/89/43/80/538894380.db2.gz NZTURPUDUVBTBR-VXGBXAGGSA-N 1 0 222.376 2.106 10 0 BEAERO Cc1cncc(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000189825721 357673265 /nfs/dbraw/zinc/67/32/65/357673265.db2.gz JWSWLIKJVJFFMX-UHFFFAOYSA-N 1 0 245.370 2.060 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)C1CCCCC1 ZINC000190596526 357711890 /nfs/dbraw/zinc/71/18/90/357711890.db2.gz WLAAGZQFIARUNZ-SCRDCRAPSA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@H]([NH2+]CC1CC(O)C1)[C@H]1CC1(C)C ZINC000397850627 357737559 /nfs/dbraw/zinc/73/75/59/357737559.db2.gz VZGWEXKYHDDXBQ-HCWSGVFWSA-N 1 0 211.349 2.172 10 0 BEAERO CC[NH+](CC)CCCN1CCS[C@@H](C)C1 ZINC000191480371 357773309 /nfs/dbraw/zinc/77/33/09/357773309.db2.gz ZRXGKYVPLJTLKK-LBPRGKRZSA-N 1 0 230.421 2.156 10 0 BEAERO OCC[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191680201 357782830 /nfs/dbraw/zinc/78/28/30/357782830.db2.gz MEZPKNCZRYXYMD-JTQLQIEISA-N 1 0 241.281 2.137 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCC1CCC1 ZINC000639938478 357942991 /nfs/dbraw/zinc/94/29/91/357942991.db2.gz ATDCBBURIRGFMN-DGCLKSJQSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCOc1ccccc1 ZINC000639941709 357952826 /nfs/dbraw/zinc/95/28/26/357952826.db2.gz OZCRXBQEJDENJP-ZIAGYGMSSA-N 1 0 249.354 2.301 10 0 BEAERO Clc1ccc([C@@H]2C[NH2+]CCCO2)s1 ZINC000035598663 358002568 /nfs/dbraw/zinc/00/25/68/358002568.db2.gz DZWIHLKHXNFEPS-ZETCQYMHSA-N 1 0 217.721 2.453 10 0 BEAERO C[C@H](C[NH+](C)C)Nc1cc(Cl)nnc1Cl ZINC000169018135 358009306 /nfs/dbraw/zinc/00/93/06/358009306.db2.gz RNPOUCNHROYGCR-ZCFIWIBFSA-N 1 0 249.145 2.145 10 0 BEAERO CCC[C@H](C(=O)NCC1(CC)CC1)[NH+](C)C ZINC000133770765 325318424 /nfs/dbraw/zinc/31/84/24/325318424.db2.gz ALKIFWVMWREQMO-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037262069 358060510 /nfs/dbraw/zinc/06/05/10/358060510.db2.gz XGQLYAGSNGMFKB-UONOGXRCSA-N 1 0 246.354 2.178 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)C(C)(C)C ZINC000037807174 358086702 /nfs/dbraw/zinc/08/67/02/358086702.db2.gz RJIDIYXASWHFPH-NXEZZACHSA-N 1 0 214.353 2.007 10 0 BEAERO C[C@H](CNc1cccnn1)C[NH+]1CCCCC1 ZINC000052830947 358232545 /nfs/dbraw/zinc/23/25/45/358232545.db2.gz ZUXCPRYXVQWINI-GFCCVEGCSA-N 1 0 234.347 2.011 10 0 BEAERO O=[n+]1nc(-c2ccccc2)[nH]c2ccccc21 ZINC000584614185 358278949 /nfs/dbraw/zinc/27/89/49/358278949.db2.gz ZGHDESQQCIOFIW-UHFFFAOYSA-N 1 0 224.243 2.144 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc[nH]1)[C@H](O)c1ccccc1 ZINC000584596091 358253778 /nfs/dbraw/zinc/25/37/78/358253778.db2.gz MXSFBJQVSIKKTL-RISCZKNCSA-N 1 0 230.311 2.226 10 0 BEAERO C[C@@H]1OC[C@]2(CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000584615228 358279954 /nfs/dbraw/zinc/27/99/54/358279954.db2.gz TYZIYEJBPXZPLX-UKRRQHHQSA-N 1 0 247.338 2.414 10 0 BEAERO CC(C)c1ccc(CC[NH2+]CCO)c(F)c1 ZINC000584602874 358260427 /nfs/dbraw/zinc/26/04/27/358260427.db2.gz COLPQCWETBZQKI-UHFFFAOYSA-N 1 0 225.307 2.074 10 0 BEAERO COc1ccc2c(c1)[C@H]1C[C@@H](C2)[N@@H+](C)C1 ZINC000584615646 358280351 /nfs/dbraw/zinc/28/03/51/358280351.db2.gz XSQGZSWNGSEOJP-WDEREUQCSA-N 1 0 203.285 2.039 10 0 BEAERO COc1cc2c(cc1F)[nH]cc2[C@@H](C)C[NH3+] ZINC000584619002 358285309 /nfs/dbraw/zinc/28/53/09/358285309.db2.gz VYXGWHWYXUBXLQ-ZETCQYMHSA-N 1 0 222.263 2.378 10 0 BEAERO CCOCC[NH2+]C[C@H](C)C(=O)c1ccccc1 ZINC000584621020 358287914 /nfs/dbraw/zinc/28/79/14/358287914.db2.gz FOJSWGNMXSLXEO-LBPRGKRZSA-N 1 0 235.327 2.132 10 0 BEAERO C[NH+](C)[C@@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000584625404 358294184 /nfs/dbraw/zinc/29/41/84/358294184.db2.gz OBINUSWGLHKRHV-UONOGXRCSA-N 1 0 219.328 2.338 10 0 BEAERO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C(C)(C)O)C1 ZINC000584631853 358314192 /nfs/dbraw/zinc/31/41/92/358314192.db2.gz XTYSTHQAXZQYJX-KGLIPLIRSA-N 1 0 233.355 2.493 10 0 BEAERO OC[C@H]1CCC2=C(C1)C1=CC(F)=CC[C@H]1[NH2+]2 ZINC000584617297 358281925 /nfs/dbraw/zinc/28/19/25/358281925.db2.gz UZXPGPSYBMMTAY-ISVAXAHUSA-N 1 0 221.275 2.188 10 0 BEAERO [NH3+]C[C@@H](CC1CC1)c1cnc(C(F)F)nc1 ZINC000584647203 358332210 /nfs/dbraw/zinc/33/22/10/358332210.db2.gz LSJQHERIYDKFRN-MRVPVSSYSA-N 1 0 227.258 2.257 10 0 BEAERO CN1Cc2cc(Cl)ccc2NC(=[NH2+])C1 ZINC000584632541 358315511 /nfs/dbraw/zinc/31/55/11/358315511.db2.gz MCNMIKLFMPMXNY-UHFFFAOYSA-N 1 0 209.680 2.175 10 0 BEAERO C[C@H](CO)[NH2+]CCc1ccc2ccccc2c1 ZINC000229093321 358345390 /nfs/dbraw/zinc/34/53/90/358345390.db2.gz KBPDZDJLMKAFMS-GFCCVEGCSA-N 1 0 229.323 2.353 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000219024714 134273431 /nfs/dbraw/zinc/27/34/31/134273431.db2.gz FNEXJZHNAKCNDI-DZGCQCFKSA-N 1 0 249.354 2.336 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C(F)(F)F)nn1 ZINC000228269518 358372153 /nfs/dbraw/zinc/37/21/53/358372153.db2.gz YQDDNLWIDFMVOF-BQBZGAKWSA-N 1 0 248.252 2.033 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CCC)C(C)C ZINC000227905461 358366215 /nfs/dbraw/zinc/36/62/15/358366215.db2.gz GYSVPLCFKAGAAZ-ZDUSSCGKSA-N 1 0 231.380 2.284 10 0 BEAERO C[C@H]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000230673393 358409339 /nfs/dbraw/zinc/40/93/39/358409339.db2.gz CVLUYBDVDQZINS-WUHRBBMRSA-N 1 0 211.349 2.316 10 0 BEAERO COc1ccc(Br)c(C[C@@H](C)[NH3+])c1 ZINC000044460632 358387437 /nfs/dbraw/zinc/38/74/37/358387437.db2.gz PECBGVMVGVPGTF-SSDOTTSWSA-N 1 0 244.132 2.347 10 0 BEAERO COC[C@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000053197200 358442177 /nfs/dbraw/zinc/44/21/77/358442177.db2.gz ZHYHUFBUWBJZGJ-CYZMBNFOSA-N 1 0 205.301 2.167 10 0 BEAERO C[C@H](O)CCC[N@H+](C)Cc1ccc(F)cc1 ZINC000045620660 358564062 /nfs/dbraw/zinc/56/40/62/358564062.db2.gz GBXQVGJVWMURDN-NSHDSACASA-N 1 0 225.307 2.419 10 0 BEAERO CCCC[N@H+](CC)CCC(=O)NC(C)C ZINC000046514104 358578116 /nfs/dbraw/zinc/57/81/16/358578116.db2.gz VGJSHDSETAXNGN-UHFFFAOYSA-N 1 0 214.353 2.023 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC000042579258 358526718 /nfs/dbraw/zinc/52/67/18/358526718.db2.gz WTWJYJPWGDHOOR-VXGBXAGGSA-N 1 0 221.348 2.479 10 0 BEAERO COc1cc([C@H](C)[NH2+]CC[C@@H](C)O)ccc1F ZINC000212793485 358621974 /nfs/dbraw/zinc/62/19/74/358621974.db2.gz JBWPAYCQTSDOLQ-ZJUUUORDSA-N 1 0 241.306 2.256 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000130457425 358626365 /nfs/dbraw/zinc/62/63/65/358626365.db2.gz RBMZQQWPQHKDCD-AXFHLTTASA-N 1 0 243.372 2.103 10 0 BEAERO ClC(Cl)=CC[NH2+][C@H]1CCSC1 ZINC000403334974 358629307 /nfs/dbraw/zinc/62/93/07/358629307.db2.gz BAKKVXQRRJCLTM-LURJTMIESA-N 1 0 212.145 2.401 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)C1CC1 ZINC000130663017 358638180 /nfs/dbraw/zinc/63/81/80/358638180.db2.gz FZSCZHWAJIUTMJ-FPMFFAJLSA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000047550169 358592977 /nfs/dbraw/zinc/59/29/77/358592977.db2.gz KVWFKMYIQBHYNX-KBPBESRZSA-N 1 0 241.375 2.302 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CCC1)c1nccs1 ZINC000130979170 358655469 /nfs/dbraw/zinc/65/54/69/358655469.db2.gz FCFQJUBXYANDQD-JTQLQIEISA-N 1 0 240.372 2.346 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000131030646 358657963 /nfs/dbraw/zinc/65/79/63/358657963.db2.gz ONNXTAHFIVIHKE-UWVGGRQHSA-N 1 0 222.336 2.064 10 0 BEAERO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000133919711 358772126 /nfs/dbraw/zinc/77/21/26/358772126.db2.gz PJQZNSVOLXNIHG-QWRGUYRKSA-N 1 0 248.305 2.157 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000132320237 358719453 /nfs/dbraw/zinc/71/94/53/358719453.db2.gz JJLNOZGGAKFFHS-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H](CCO)[NH2+]Cc1cccc(C2CC2)c1 ZINC000132414852 358723413 /nfs/dbraw/zinc/72/34/13/358723413.db2.gz YIFGMCMZSXHWGD-NSHDSACASA-N 1 0 219.328 2.425 10 0 BEAERO COCc1cccc(CNc2[nH+]ccn2C)c1 ZINC000050606053 358733992 /nfs/dbraw/zinc/73/39/92/358733992.db2.gz CQVHQGCJXRQTSY-UHFFFAOYSA-N 1 0 231.299 2.179 10 0 BEAERO CCC[NH2+]Cc1nccn1Cc1ccccc1 ZINC000051005341 358742721 /nfs/dbraw/zinc/74/27/21/358742721.db2.gz XSSWGLPPARGEJZ-UHFFFAOYSA-N 1 0 229.327 2.431 10 0 BEAERO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000133991380 358775493 /nfs/dbraw/zinc/77/54/93/358775493.db2.gz KMTKUWKINMGDLA-NXEZZACHSA-N 1 0 226.295 2.296 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000134138764 358780403 /nfs/dbraw/zinc/78/04/03/358780403.db2.gz DRMBDNYTTDZMBO-UHIISALHSA-N 1 0 219.328 2.280 10 0 BEAERO Cc1nc(C[N@@H+]2CCC[C@H]2CCCO)oc1C ZINC000052761763 358792679 /nfs/dbraw/zinc/79/26/79/358792679.db2.gz OXCOLUSRIKXISJ-LBPRGKRZSA-N 1 0 238.331 2.028 10 0 BEAERO CC(C)CCOCC[N@@H+]1CCC[C@H]1CCCO ZINC000052762548 358793486 /nfs/dbraw/zinc/79/34/86/358793486.db2.gz LIKRWIUGCWUAEF-AWEZNQCLSA-N 1 0 243.391 2.286 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000134804691 358807174 /nfs/dbraw/zinc/80/71/74/358807174.db2.gz YEVMKMRHNNRAJC-VXGBXAGGSA-N 1 0 230.421 2.202 10 0 BEAERO CC[C@H]([NH2+]CC(C)(C)CO)C(C)(C)C ZINC000308570653 491137049 /nfs/dbraw/zinc/13/70/49/491137049.db2.gz BWYWIYAWYUJYKF-JTQLQIEISA-N 1 0 201.354 2.419 10 0 BEAERO CCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000135514140 358841953 /nfs/dbraw/zinc/84/19/53/358841953.db2.gz GAJSZAWOFBENPD-CHWSQXEVSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)(C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058911271 358916164 /nfs/dbraw/zinc/91/61/64/358916164.db2.gz AWUOLDLTJRHLSY-UHFFFAOYSA-N 1 0 238.375 2.119 10 0 BEAERO c1c[nH]c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)n1 ZINC000136725548 358885661 /nfs/dbraw/zinc/88/56/61/358885661.db2.gz DFOXKNYNJRAYNL-GFCCVEGCSA-N 1 0 249.358 2.381 10 0 BEAERO CN1c2ccccc2[C@@]2(C)CC[NH2+][C@]12C ZINC000053993794 358960217 /nfs/dbraw/zinc/96/02/17/358960217.db2.gz CGGSLHUYWLWRBD-CHWSQXEVSA-N 1 0 202.301 2.104 10 0 BEAERO C[C@@H]1OCC[C@H]1S[C@H]1CCCC[NH2+]C1 ZINC000300335467 358962421 /nfs/dbraw/zinc/96/24/21/358962421.db2.gz CPQHURVRWNMLRT-GARJFASQSA-N 1 0 215.362 2.039 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(C)CCC1 ZINC000235733986 358922334 /nfs/dbraw/zinc/92/23/34/358922334.db2.gz NPQFQOZOICTOLJ-QWHCGFSZSA-N 1 0 222.376 2.345 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CCCS2)sn1 ZINC000306158838 358952254 /nfs/dbraw/zinc/95/22/54/358952254.db2.gz DNJCZBOLGBENPU-VXNVDRBHSA-N 1 0 214.359 2.347 10 0 BEAERO C[C@@H]1SCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000299971933 358958300 /nfs/dbraw/zinc/95/83/00/358958300.db2.gz ZLSMFWBLMSFGQS-GUBZILKMSA-N 1 0 217.403 2.366 10 0 BEAERO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CN(C)CCO1 ZINC000246428144 359082033 /nfs/dbraw/zinc/08/20/33/359082033.db2.gz NQVXTIRIECMQPS-MELADBBJSA-N 1 0 242.407 2.121 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccc1N(C)C ZINC000072685991 359088811 /nfs/dbraw/zinc/08/88/11/359088811.db2.gz COQOVUBRTRVHQB-CHWSQXEVSA-N 1 0 248.370 2.362 10 0 BEAERO Cc1nc2ccccc2nc1NC[C@H]([NH3+])C(C)C ZINC000070447844 359056825 /nfs/dbraw/zinc/05/68/25/359056825.db2.gz PLHDJDXLWPXKIK-NSHDSACASA-N 1 0 244.342 2.333 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)C ZINC000246964588 359178821 /nfs/dbraw/zinc/17/88/21/359178821.db2.gz NCRSKODIOFINOW-OLZOCXBDSA-N 1 0 238.375 2.118 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cnccn1 ZINC000247146781 359196624 /nfs/dbraw/zinc/19/66/24/359196624.db2.gz RFAWCFZPEGSXOY-FMSGJZPZSA-N 1 0 247.342 2.085 10 0 BEAERO COCCC[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000246507788 359138912 /nfs/dbraw/zinc/13/89/12/359138912.db2.gz TUNWCQQCAMBLFJ-HZSPNIEDSA-N 1 0 242.407 2.120 10 0 BEAERO C/C=C/C=C/C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000246949946 359177210 /nfs/dbraw/zinc/17/72/10/359177210.db2.gz LOMMUZCFKRPZQI-LXCYGXCASA-N 1 0 248.370 2.204 10 0 BEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC1CC1 ZINC000248198604 359259002 /nfs/dbraw/zinc/25/90/02/359259002.db2.gz MQCVKTGYTCDIIO-UPJWGTAASA-N 1 0 237.343 2.203 10 0 BEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC1CC1 ZINC000248198605 359259108 /nfs/dbraw/zinc/25/91/08/359259108.db2.gz MQCVKTGYTCDIIO-XQQFMLRXSA-N 1 0 237.343 2.203 10 0 BEAERO CC(C)OCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248045653 359253575 /nfs/dbraw/zinc/25/35/75/359253575.db2.gz UXIUNVCARKASED-KBPBESRZSA-N 1 0 241.375 2.038 10 0 BEAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCF ZINC000247304645 359211816 /nfs/dbraw/zinc/21/18/16/359211816.db2.gz UYUMKMUOCUSSAH-TUAOUCFPSA-N 1 0 243.322 2.152 10 0 BEAERO CCNC(=O)CC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000248338660 359265998 /nfs/dbraw/zinc/26/59/98/359265998.db2.gz HWWAAKFGFGQFDV-WFASDCNBSA-N 1 0 246.354 2.206 10 0 BEAERO FCCNC1=[NH+][C@@H]2CCCC[C@H]2CS1 ZINC000306226565 359354406 /nfs/dbraw/zinc/35/44/06/359354406.db2.gz VYNOQOPKFTUGSA-DTWKUNHWSA-N 1 0 216.325 2.207 10 0 BEAERO C[C@H]1SCCS[C@@H]1C(=[NH2+])N1CCCC1 ZINC000228187663 359361560 /nfs/dbraw/zinc/36/15/60/359361560.db2.gz KYNHTOALBUYMPP-BDAKNGLRSA-N 1 0 230.402 2.297 10 0 BEAERO Cc1nnc([C@]2([NH3+])CCC[C@@H](C)C2)s1 ZINC000306217511 359331633 /nfs/dbraw/zinc/33/16/33/359331633.db2.gz DCDRXVXHNQAAGT-XCBNKYQSSA-N 1 0 211.334 2.211 10 0 BEAERO [NH3+]C1(c2ccsc2Cl)CCOCC1 ZINC000306222937 359345597 /nfs/dbraw/zinc/34/55/97/359345597.db2.gz XZBAEKBRKSSARZ-UHFFFAOYSA-N 1 0 217.721 2.366 10 0 BEAERO C[C@@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)[C@H]1C ZINC000306243979 359427544 /nfs/dbraw/zinc/42/75/44/359427544.db2.gz USNZKVXMMSPNEO-XUJVJEKNSA-N 1 0 243.354 2.232 10 0 BEAERO [NH3+]C[C@@H]1CCO[C@H]1c1ccsc1Cl ZINC000306244359 359428346 /nfs/dbraw/zinc/42/83/46/359428346.db2.gz UHJFFNRWMSNFHS-POYBYMJQSA-N 1 0 217.721 2.438 10 0 BEAERO C[C@H]([NH3+])c1cnn(Cc2ccsc2)c1 ZINC000306245997 359431827 /nfs/dbraw/zinc/43/18/27/359431827.db2.gz ARJIHZPAGHTFBY-QMMMGPOBSA-N 1 0 207.302 2.013 10 0 BEAERO Cc1ccc([C@]2(C[NH3+])CCCS2)nc1 ZINC000306255036 359460284 /nfs/dbraw/zinc/46/02/84/359460284.db2.gz OOPQLYNSTSWGDH-LLVKDONJSA-N 1 0 208.330 2.071 10 0 BEAERO C[C@@H]1CC[NH2+][C@H]([C@@H]2C[C@@H](C)CCC2=O)C1 ZINC000130319095 359496848 /nfs/dbraw/zinc/49/68/48/359496848.db2.gz XBAIJERVMDLYMS-USZNOCQGSA-N 1 0 209.333 2.380 10 0 BEAERO CC(C)Oc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000086880605 359582355 /nfs/dbraw/zinc/58/23/55/359582355.db2.gz PKDIEHLNBLBBKC-UHFFFAOYSA-N 1 0 234.221 2.346 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CC1(C)C ZINC000309019262 491142511 /nfs/dbraw/zinc/14/25/11/491142511.db2.gz WBHSYIJKJWBIGW-USZNOCQGSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@H](CCC[NH3+])Nc1cc(O)cc2cccnc21 ZINC000005551272 359659121 /nfs/dbraw/zinc/65/91/21/359659121.db2.gz ZJVLLKFLBQUFMW-SNVBAGLBSA-N 1 0 245.326 2.480 10 0 BEAERO [NH3+][C@H](c1ccsc1Cl)[C@H]1CCOC1 ZINC000306348021 359667444 /nfs/dbraw/zinc/66/74/44/359667444.db2.gz FYHDENZXAITUDF-XPUUQOCRSA-N 1 0 217.721 2.438 10 0 BEAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC2(C1)OCCO2 ZINC000306385597 359739105 /nfs/dbraw/zinc/73/91/05/359739105.db2.gz BOASNCYSTOFEPG-QWRGUYRKSA-N 1 0 225.332 2.060 10 0 BEAERO Cc1csc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000306397553 359761895 /nfs/dbraw/zinc/76/18/95/359761895.db2.gz LGUFYZIRGNJVTI-KYZUINATSA-N 1 0 211.334 2.133 10 0 BEAERO CC(C)(C)OC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000084538604 359810117 /nfs/dbraw/zinc/81/01/17/359810117.db2.gz VJXUGXISVNWCCA-UHFFFAOYSA-N 1 0 240.347 2.138 10 0 BEAERO CC[C@@H]1CCSC(N[C@H]2CCSC2)=[NH+]1 ZINC000231359892 359915321 /nfs/dbraw/zinc/91/53/21/359915321.db2.gz VSYYQRVZJXNFKU-BDAKNGLRSA-N 1 0 230.402 2.353 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)Oc1ccccc1 ZINC000578765663 366643201 /nfs/dbraw/zinc/64/32/01/366643201.db2.gz JGDBRFYLVLPGIH-BPLDGKMQSA-N 1 0 249.354 2.347 10 0 BEAERO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000309210879 491146311 /nfs/dbraw/zinc/14/63/11/491146311.db2.gz SSJZFJXNCUBCBJ-MROQNXINSA-N 1 0 211.349 2.316 10 0 BEAERO CSC1([C@H]2[NH2+]CC[C@@H](C)S2)CC1 ZINC000306449736 360018476 /nfs/dbraw/zinc/01/84/76/360018476.db2.gz NIWLOMCLCKRVLG-SFYZADRCSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1nc(Cl)cs1 ZINC000306463958 360076149 /nfs/dbraw/zinc/07/61/49/360076149.db2.gz AAQIYTOZEUTTOO-WDSKDSINSA-N 1 0 219.741 2.334 10 0 BEAERO C[N@@H+]1CCC[C@@H]2C[NH+](CC(C)(C)C)CC[C@@H]21 ZINC000092043326 360147846 /nfs/dbraw/zinc/14/78/46/360147846.db2.gz NMUUSSWUGRSSTO-OLZOCXBDSA-N 1 0 224.392 2.449 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(F)cn1 ZINC000092196582 360156145 /nfs/dbraw/zinc/15/61/45/360156145.db2.gz FXGJJSAMNALPFM-HOTUBEGUSA-N 1 0 224.279 2.049 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)on1 ZINC000092696099 360191268 /nfs/dbraw/zinc/19/12/68/360191268.db2.gz MRKGEGPHTJPLJL-UONOGXRCSA-N 1 0 249.358 2.042 10 0 BEAERO CC[N@H+](C[C@H]1Cc2ccccc2O1)CC(C)(C)O ZINC000092982177 360208617 /nfs/dbraw/zinc/20/86/17/360208617.db2.gz RFCBCNRLCGTMHC-CYBMUJFWSA-N 1 0 249.354 2.083 10 0 BEAERO FC(F)CC[NH2+]CCOCc1ccccc1 ZINC000306491701 360209973 /nfs/dbraw/zinc/20/99/73/360209973.db2.gz OWELHUIWGWUBTK-UHFFFAOYSA-N 1 0 229.270 2.448 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000093066662 360213294 /nfs/dbraw/zinc/21/32/94/360213294.db2.gz IEOQKEFEHSHTPG-CMPLNLGQSA-N 1 0 221.348 2.142 10 0 BEAERO c1coc([C@@H]2CCCN2Cc2cc[nH]n2)c1 ZINC000093335436 360232419 /nfs/dbraw/zinc/23/24/19/360232419.db2.gz RLIHVHWKGWCHQF-NSHDSACASA-N 1 0 217.272 2.340 10 0 BEAERO Cc1ncccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000093437647 360242359 /nfs/dbraw/zinc/24/23/59/360242359.db2.gz YCDGUKXPJJFVTH-WFASDCNBSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1ncccc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000093437648 360243118 /nfs/dbraw/zinc/24/31/18/360243118.db2.gz YCDGUKXPJJFVTH-SWLSCSKDSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1cc(NC(N)=[NH2+])c(Cl)cc1F ZINC000306502330 360294701 /nfs/dbraw/zinc/29/47/01/360294701.db2.gz HICTWPIYVYWYBK-UHFFFAOYSA-N 1 0 201.632 2.093 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000093963518 360292149 /nfs/dbraw/zinc/29/21/49/360292149.db2.gz CWDLLPFZFAAFOV-GXSJLCMTSA-N 1 0 221.348 2.216 10 0 BEAERO COc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@@H]1[NH3+] ZINC000039374913 360340210 /nfs/dbraw/zinc/34/02/10/360340210.db2.gz HLIZYJUVYJDBSG-SUNKGSAMSA-N 1 0 217.312 2.147 10 0 BEAERO O[C@H](c1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000306531649 360389947 /nfs/dbraw/zinc/38/99/47/360389947.db2.gz FWTZHFIIZGCTLN-JTQLQIEISA-N 1 0 232.110 2.246 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC=C[C@@H]23)CS1 ZINC000306565017 360444198 /nfs/dbraw/zinc/44/41/98/360444198.db2.gz FDWYDUQHIKXCQL-YBXAARCKSA-N 1 0 209.358 2.435 10 0 BEAERO C[NH2+][C@H](C)c1cnc(-c2ccsc2)[nH]1 ZINC000306540285 360405695 /nfs/dbraw/zinc/40/56/95/360405695.db2.gz ORONKCPLWFYXSI-SSDOTTSWSA-N 1 0 207.302 2.419 10 0 BEAERO C[NH2+][C@@H]1CC[C@H](c2cc(OC)ns2)C1 ZINC000306542063 360412424 /nfs/dbraw/zinc/41/24/24/360412424.db2.gz QKMQXRGWXVKNLT-JGVFFNPUSA-N 1 0 212.318 2.007 10 0 BEAERO CC(C)NC1=[NH+]C[C@H](C(C)C)CS1 ZINC000306546658 360417535 /nfs/dbraw/zinc/41/75/35/360417535.db2.gz BRPRYVXQLNGZNV-VIFPVBQESA-N 1 0 200.351 2.359 10 0 BEAERO C[S@](=O)CCC1([NH3+])CCC(C)(C)CC1 ZINC000306546829 360417690 /nfs/dbraw/zinc/41/76/90/360417690.db2.gz AOFRMFOINDWFHH-AWEZNQCLSA-N 1 0 217.378 2.053 10 0 BEAERO [NH3+]CC1(Oc2ccc(F)c(Cl)c2)CC1 ZINC000300740630 360435819 /nfs/dbraw/zinc/43/58/19/360435819.db2.gz HQLFHFHGVJLHAN-UHFFFAOYSA-N 1 0 215.655 2.349 10 0 BEAERO C[C@](F)([C@H]1CCC[NH2+]1)C(F)(F)Br ZINC000306581833 360480285 /nfs/dbraw/zinc/48/02/85/360480285.db2.gz QAUALVBSSUOKIV-RITPCOANSA-N 1 0 246.070 2.454 10 0 BEAERO CN1CC[C@H]([NH3+])[C@H]1c1ccsc1Cl ZINC000306588412 360492562 /nfs/dbraw/zinc/49/25/62/360492562.db2.gz NJWKRBXXIFAUDZ-JGVFFNPUSA-N 1 0 216.737 2.105 10 0 BEAERO COC[C@@H](CC(C)C)[NH2+]Cc1ccccn1 ZINC000309478558 491149410 /nfs/dbraw/zinc/14/94/10/491149410.db2.gz SIHQYSGZOYCNJJ-CYBMUJFWSA-N 1 0 222.332 2.232 10 0 BEAERO CC[C@@H]1C[N@H+](CC2=CCCC2)CCC1=O ZINC000306594038 360512273 /nfs/dbraw/zinc/51/22/73/360512273.db2.gz XHBRPFSQBCPMCP-GFCCVEGCSA-N 1 0 207.317 2.398 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncccc2Cl)C1 ZINC000309483173 491149533 /nfs/dbraw/zinc/14/95/33/491149533.db2.gz UITQATLUZDSSCK-KOLCDFICSA-N 1 0 239.750 2.487 10 0 BEAERO C[C@H]1CSC[C@@H]1[NH2+]Cc1sccc1N ZINC000306596802 360518135 /nfs/dbraw/zinc/51/81/35/360518135.db2.gz ZAUVSLSXIULUFP-CBAPKCEASA-N 1 0 228.386 2.171 10 0 BEAERO CC(=O)Nc1ccccc1[C@H]1CCC[NH2+]1 ZINC000238095618 360555325 /nfs/dbraw/zinc/55/53/25/360555325.db2.gz IJBOUPFGCJWOAB-LLVKDONJSA-N 1 0 204.273 2.070 10 0 BEAERO Cc1ccsc1[C@H]1[C@@H]([NH3+])CCCN1C ZINC000069798602 360558350 /nfs/dbraw/zinc/55/83/50/360558350.db2.gz YEJWTMZVXQDRQE-VHSXEESVSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1ccsc1[C@@H]1[C@@H]([NH3+])CCCN1C ZINC000069798599 360558470 /nfs/dbraw/zinc/55/84/70/360558470.db2.gz YEJWTMZVXQDRQE-UWVGGRQHSA-N 1 0 210.346 2.151 10 0 BEAERO CCc1csc(N[C@@H]2C[N@H+](CC)C[C@@H]2C)n1 ZINC000309463588 491149705 /nfs/dbraw/zinc/14/97/05/491149705.db2.gz OQEOTKCTUINMJL-GXSJLCMTSA-N 1 0 239.388 2.458 10 0 BEAERO CCc1csc(N[C@@H]2C[N@H+](CC)C[C@H]2C)n1 ZINC000309463590 491149748 /nfs/dbraw/zinc/14/97/48/491149748.db2.gz OQEOTKCTUINMJL-MWLCHTKSSA-N 1 0 239.388 2.458 10 0 BEAERO CC[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000187670522 259518607 /nfs/dbraw/zinc/51/86/07/259518607.db2.gz WKWPZJFHDQEGRT-LLVKDONJSA-N 1 0 221.348 2.398 10 0 BEAERO Cc1ccc(C2=[NH+][C@H]3[C@H]4C=C[C@H](C4)[C@H]3N2)cc1 ZINC000064874254 360747903 /nfs/dbraw/zinc/74/79/03/360747903.db2.gz ZGHVOHNJZXNITQ-KPWCQOOUSA-N 1 0 224.307 2.288 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000309549241 491151095 /nfs/dbraw/zinc/15/10/95/491151095.db2.gz HPPNCCRSBDAXGO-JMJZKYOTSA-N 1 0 240.372 2.406 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CCC1 ZINC000178690867 219866269 /nfs/dbraw/zinc/86/62/69/219866269.db2.gz OHFGJIYQHQTRDE-DRZSPHRISA-N 1 0 211.349 2.316 10 0 BEAERO NC(=S)C1CC[NH+](Cc2ccccc2)CC1 ZINC000033465275 181315406 /nfs/dbraw/zinc/31/54/06/181315406.db2.gz TUMNFXQIASNCMJ-UHFFFAOYSA-N 1 0 234.368 2.185 10 0 BEAERO OC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCCC1 ZINC000309602593 491152184 /nfs/dbraw/zinc/15/21/84/491152184.db2.gz XAIYLOJJPJQPJU-NWDGAFQWSA-N 1 0 229.339 2.409 10 0 BEAERO CC[C@H]([NH3+])c1ccncc1Br ZINC000238319151 360857704 /nfs/dbraw/zinc/85/77/04/360857704.db2.gz XSLCXLVGXUBQQV-QMMMGPOBSA-N 1 0 215.094 2.254 10 0 BEAERO Cc1ccc([C@@H]2COC(=[NH2+])N2)cc1Cl ZINC000169698887 360930619 /nfs/dbraw/zinc/93/06/19/360930619.db2.gz VSQWMMRTAVQJNH-VIFPVBQESA-N 1 0 210.664 2.034 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])c2cc(Cl)ccc2[S@@]1=O ZINC000040973636 360983095 /nfs/dbraw/zinc/98/30/95/360983095.db2.gz LWTSPODBKHITGB-MIBRVMSUSA-N 1 0 229.732 2.240 10 0 BEAERO [NH3+]C/C=C/c1ccc(Br)s1 ZINC000069049717 181324309 /nfs/dbraw/zinc/32/43/09/181324309.db2.gz AZSGZULSBYADCJ-OWOJBTEDSA-N 1 0 218.119 2.483 10 0 BEAERO Cc1ccnc(N[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000238543204 361146404 /nfs/dbraw/zinc/14/64/04/361146404.db2.gz NLOWLXKVHYWZGM-XYPYZODXSA-N 1 0 205.305 2.072 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000306617398 361173430 /nfs/dbraw/zinc/17/34/30/361173430.db2.gz QOGZDRMAFHGVOT-BDAKNGLRSA-N 1 0 211.334 2.206 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000306620063 361199102 /nfs/dbraw/zinc/19/91/02/361199102.db2.gz WIKBTSKOXXAJDZ-WDNDVIMCSA-N 1 0 243.354 2.489 10 0 BEAERO [NH3+][C@H](c1nc2c(s1)CCCC2)C1CC1 ZINC000041059401 361221584 /nfs/dbraw/zinc/22/15/84/361221584.db2.gz SONKJVIYOOMHOJ-JTQLQIEISA-N 1 0 208.330 2.432 10 0 BEAERO CS[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162593453 361357073 /nfs/dbraw/zinc/35/70/73/361357073.db2.gz RVZMPJREYOWZRP-YTWAJWBKSA-N 1 0 229.389 2.141 10 0 BEAERO [NH3+]C1(C(=O)c2ccc(Br)cc2)CC1 ZINC000011630586 181330869 /nfs/dbraw/zinc/33/08/69/181330869.db2.gz DIAWGPCAOUDBOV-UHFFFAOYSA-N 1 0 240.100 2.123 10 0 BEAERO Cc1cc(CC(=O)[C@H]2CC[C@@H]([NH3+])C2)cs1 ZINC000306635917 361385835 /nfs/dbraw/zinc/38/58/35/361385835.db2.gz ANTUWIJQMUQLSE-WDEREUQCSA-N 1 0 223.341 2.296 10 0 BEAERO CCC[C@@H](C)[NH2+]Cc1cnc2ccnn2c1 ZINC000381398009 361390086 /nfs/dbraw/zinc/39/00/86/361390086.db2.gz QDOPEGCPIMBHNU-SNVBAGLBSA-N 1 0 218.304 2.008 10 0 BEAERO [NH3+]C1(c2c(F)ccc(F)c2F)CCC1 ZINC000075934042 181332754 /nfs/dbraw/zinc/33/27/54/181332754.db2.gz UJNBNXKMMZLAIA-UHFFFAOYSA-N 1 0 201.191 2.442 10 0 BEAERO [NH3+]C1([C@H](O)c2cccs2)CCCCC1 ZINC000071518302 181332956 /nfs/dbraw/zinc/33/29/56/181332956.db2.gz QGLRNVBVHRFJHZ-SNVBAGLBSA-N 1 0 211.330 2.443 10 0 BEAERO Cc1cc(/C=C\[C@H]2COCC[NH2+]2)cs1 ZINC000381611716 361496232 /nfs/dbraw/zinc/49/62/32/361496232.db2.gz PHRBUWHJXROODL-QUCGXOGASA-N 1 0 209.314 2.058 10 0 BEAERO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2CO)cs1 ZINC000152322989 201196702 /nfs/dbraw/zinc/19/67/02/201196702.db2.gz ZIXNKIKPAWVXBH-PWSUYJOCSA-N 1 0 240.372 2.092 10 0 BEAERO [NH3+]C1CC(Nc2ncc(Cl)cc2Cl)C1 ZINC000036268639 181340319 /nfs/dbraw/zinc/34/03/19/181340319.db2.gz LFSRZONYZLJYOB-UHFFFAOYSA-N 1 0 232.114 2.290 10 0 BEAERO Cc1c(C[NH2+][C@]23C[C@H]2CCCC3)cnn1C ZINC000631225505 361579258 /nfs/dbraw/zinc/57/92/58/361579258.db2.gz JSPOASODDRDYDL-CHWSQXEVSA-N 1 0 219.332 2.151 10 0 BEAERO CCn1ccnc1-c1csc(C[NH3+])c1 ZINC000070601162 361583732 /nfs/dbraw/zinc/58/37/32/361583732.db2.gz ZLVVCNVHVPNGNA-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO COC(C)(C)c1nc([C@@H](C)[NH3+])c(C)s1 ZINC000306638988 361585433 /nfs/dbraw/zinc/58/54/33/361585433.db2.gz CMUSDWVUAONUGC-ZCFIWIBFSA-N 1 0 214.334 2.353 10 0 BEAERO [NH3+]C1CCC(Oc2ncnc3sccc32)CC1 ZINC000055143654 181342166 /nfs/dbraw/zinc/34/21/66/181342166.db2.gz MABJWXUDWYTVSP-UHFFFAOYSA-N 1 0 249.339 2.340 10 0 BEAERO [NH3+]C1CCC(OCc2ccc3c(c2)OCO3)CC1 ZINC000055144049 181342585 /nfs/dbraw/zinc/34/25/85/181342585.db2.gz LAGSFKGKOSJMHB-UHFFFAOYSA-N 1 0 249.310 2.202 10 0 BEAERO [NH3+]C1CCC(Oc2ncccc2Cl)CC1 ZINC000055143645 181342608 /nfs/dbraw/zinc/34/26/08/181342608.db2.gz GYRGDRHNKMMIEJ-UHFFFAOYSA-N 1 0 226.707 2.384 10 0 BEAERO C[C@H](C[NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000038006017 361661444 /nfs/dbraw/zinc/66/14/44/361661444.db2.gz IRLJNOWNHRZETJ-LLVKDONJSA-N 1 0 215.300 2.303 10 0 BEAERO CCCOc1cncc(-c2ncc(C[NH3+])s2)c1 ZINC000629734703 361674453 /nfs/dbraw/zinc/67/44/53/361674453.db2.gz VMIMORXPFXOJRM-UHFFFAOYSA-N 1 0 249.339 2.453 10 0 BEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1ccccc1Cl ZINC000070627255 361680716 /nfs/dbraw/zinc/68/07/16/361680716.db2.gz SFVHTKDCMAAJFU-KWQFWETISA-N 1 0 211.692 2.376 10 0 BEAERO [NH3+]C[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000070627280 361680954 /nfs/dbraw/zinc/68/09/54/361680954.db2.gz IDMDGRJUQKBFCT-ONGXEEELSA-N 1 0 211.692 2.376 10 0 BEAERO NC(=S)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000070663110 361707775 /nfs/dbraw/zinc/70/77/75/361707775.db2.gz SKFDUJSFCFQDAV-JTQLQIEISA-N 1 0 212.362 2.070 10 0 BEAERO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cn1 ZINC000156027439 201383362 /nfs/dbraw/zinc/38/33/62/201383362.db2.gz LNBCKRHNUVAFHC-ZIAGYGMSSA-N 1 0 234.343 2.031 10 0 BEAERO O=C(C[C@H]1CCCCC[NH2+]1)C(F)(F)F ZINC000306351465 541312907 /nfs/dbraw/zinc/31/29/07/541312907.db2.gz XQNQBXGKPFMUMU-SSDOTTSWSA-N 1 0 209.211 2.040 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@H]2c1cncs1 ZINC000306644822 541313763 /nfs/dbraw/zinc/31/37/63/541313763.db2.gz FOPDGXOYYBKUSS-SNVBAGLBSA-N 1 0 222.338 2.440 10 0 BEAERO CC(C)(C[NH3+])[C@@H](O)c1sccc1Cl ZINC000306817821 541314368 /nfs/dbraw/zinc/31/43/68/541314368.db2.gz BPQKHCMZQGPSSZ-QMMMGPOBSA-N 1 0 219.737 2.420 10 0 BEAERO NCC(C1CC1)(C1CC1)[NH+]1CCCCCC1 ZINC000022147878 181357402 /nfs/dbraw/zinc/35/74/02/181357402.db2.gz WYMCJYOZECTDDL-UHFFFAOYSA-N 1 0 222.376 2.380 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Cl)cn1 ZINC000630528714 364216223 /nfs/dbraw/zinc/21/62/23/364216223.db2.gz MIVHOHFCKBCBQZ-VHSXEESVSA-N 1 0 225.723 2.287 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2nccc3occc32)C[NH2+]1 ZINC000630531590 364218349 /nfs/dbraw/zinc/21/83/49/364218349.db2.gz BRMLJHUMATWUTI-NXEZZACHSA-N 1 0 231.299 2.380 10 0 BEAERO CCc1csc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630532598 364221243 /nfs/dbraw/zinc/22/12/43/364221243.db2.gz JXJBYCYQVFVIEV-WPRPVWTQSA-N 1 0 225.361 2.258 10 0 BEAERO [NH3+]CCCOCCNc1nccc2ccccc21 ZINC000630538370 364233658 /nfs/dbraw/zinc/23/36/58/364233658.db2.gz ZSNYAOJXMDHELI-UHFFFAOYSA-N 1 0 245.326 2.012 10 0 BEAERO [NH3+][C@H]1CCCCCN(c2ncccc2Cl)C1 ZINC000630548731 364245201 /nfs/dbraw/zinc/24/52/01/364245201.db2.gz DOLXZPUHNGFATL-JTQLQIEISA-N 1 0 239.750 2.443 10 0 BEAERO Cc1cnc(N[C@H]2CC[C@H](C[NH3+])CC2)nc1C ZINC000630559295 364260147 /nfs/dbraw/zinc/26/01/47/364260147.db2.gz XNTUZQSKZOMYSU-HAQNSBGRSA-N 1 0 234.347 2.023 10 0 BEAERO C[C@H]1CN(c2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000630574993 364273845 /nfs/dbraw/zinc/27/38/45/364273845.db2.gz WJHDHGKKPOJWPU-UWVGGRQHSA-N 1 0 247.367 2.327 10 0 BEAERO [NH3+]CC1(Nc2ncnc3ccsc32)CCCC1 ZINC000111822842 181361964 /nfs/dbraw/zinc/36/19/64/181361964.db2.gz RDGAPAUHTQZABJ-UHFFFAOYSA-N 1 0 248.355 2.375 10 0 BEAERO CC1CCC(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000037623239 364338989 /nfs/dbraw/zinc/33/89/89/364338989.db2.gz AAMIBIGPAUQJLU-UHFFFAOYSA-N 1 0 238.375 2.199 10 0 BEAERO [NH3+]CC1(Nc2nncc3ccccc32)CCCC1 ZINC000111822886 181361507 /nfs/dbraw/zinc/36/15/07/181361507.db2.gz MCXVFXSIQYAIRA-UHFFFAOYSA-N 1 0 242.326 2.313 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cs1 ZINC000134061848 364386496 /nfs/dbraw/zinc/38/64/96/364386496.db2.gz MMFUUHVDEIOXLC-XKSSXDPKSA-N 1 0 226.345 2.280 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000134217275 364394869 /nfs/dbraw/zinc/39/48/69/364394869.db2.gz XDSDBDRLMKCVGO-IUCAKERBSA-N 1 0 225.254 2.486 10 0 BEAERO [NH3+]CC1(c2nc3cc(F)ccc3s2)CC1 ZINC000083037890 181363458 /nfs/dbraw/zinc/36/34/58/181363458.db2.gz BAUYJQNIQZYIIP-UHFFFAOYSA-N 1 0 222.288 2.426 10 0 BEAERO [NH3+]CC1CCC(C(=O)NC2CCCCC2)CC1 ZINC000055145116 181363536 /nfs/dbraw/zinc/36/35/36/181363536.db2.gz LMDVNGAHFBWKJL-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+]CC1(c2nc3cc[nH]cc-3n2)CCCCC1 ZINC000083072174 181363588 /nfs/dbraw/zinc/36/35/88/181363588.db2.gz GXXXHQYWIZWAEX-UHFFFAOYSA-N 1 0 230.315 2.119 10 0 BEAERO COC[C@@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000053197201 541359685 /nfs/dbraw/zinc/35/96/85/541359685.db2.gz ZHYHUFBUWBJZGJ-RAIGVLPGSA-N 1 0 205.301 2.167 10 0 BEAERO [NH3+]CC1(c2nc3cccnc3[nH]2)CCCCC1 ZINC000083072167 181363854 /nfs/dbraw/zinc/36/38/54/181363854.db2.gz UUIPKIOPTGABOL-UHFFFAOYSA-N 1 0 230.315 2.119 10 0 BEAERO FCCCN1CCC([NH2+]C2CCCC2)CC1 ZINC000137344677 364506283 /nfs/dbraw/zinc/50/62/83/364506283.db2.gz QEZBUXMPPPMSSA-UHFFFAOYSA-N 1 0 228.355 2.343 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1O)c1cccs1 ZINC000037690170 364530211 /nfs/dbraw/zinc/53/02/11/364530211.db2.gz AWTATXOAVKZSNI-BBBLOLIVSA-N 1 0 211.330 2.312 10 0 BEAERO [NH3+]CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000011755265 181368941 /nfs/dbraw/zinc/36/89/41/181368941.db2.gz APTIJPMGMBFJSM-UHFFFAOYSA-N 1 0 233.098 2.281 10 0 BEAERO CC[C@@](C)(O)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000087012741 364693913 /nfs/dbraw/zinc/69/39/13/364693913.db2.gz HSFSVWFXPHGQEP-CQSZACIVSA-N 1 0 237.343 2.260 10 0 BEAERO [NH3+]CCCC(=O)Nc1cccc(Cl)c1F ZINC000020472614 181373738 /nfs/dbraw/zinc/37/37/38/181373738.db2.gz QCYSVLRXTUTPTP-UHFFFAOYSA-N 1 0 230.670 2.157 10 0 BEAERO [NH3+]CCCCOc1cc(F)cc(F)c1 ZINC000054932542 181377093 /nfs/dbraw/zinc/37/70/93/181377093.db2.gz BSRZRFVMCPUZIL-UHFFFAOYSA-N 1 0 201.216 2.083 10 0 BEAERO [NH3+]CCCN(c1cccnn1)C1CCCCCC1 ZINC000052815634 181379777 /nfs/dbraw/zinc/37/97/77/181379777.db2.gz VOWRAWLBNRPARJ-UHFFFAOYSA-N 1 0 248.374 2.355 10 0 BEAERO [NH3+]CCCN(C(=O)CC1CCCCC1)C1CC1 ZINC000036731385 181379798 /nfs/dbraw/zinc/37/97/98/181379798.db2.gz JBDOOWRKQYVGIR-UHFFFAOYSA-N 1 0 238.375 2.297 10 0 BEAERO [NH3+]CCCN(C(=O)c1ccoc1)C1CCCC1 ZINC000036731480 181379819 /nfs/dbraw/zinc/37/98/19/181379819.db2.gz QYKNIPAPEQPQGL-UHFFFAOYSA-N 1 0 236.315 2.013 10 0 BEAERO [NH3+]CCCOc1ccc(Br)c(F)c1 ZINC000075880590 181384974 /nfs/dbraw/zinc/38/49/74/181384974.db2.gz HRWBWUAAMUMDLP-UHFFFAOYSA-N 1 0 248.095 2.316 10 0 BEAERO [NH3+]CCCOCc1ccc2c(c1)ncn2C1CC1 ZINC000077399933 181385048 /nfs/dbraw/zinc/38/50/48/181385048.db2.gz NVBIFSYRHXBZNM-UHFFFAOYSA-N 1 0 245.326 2.237 10 0 BEAERO [NH3+]CCCSC(F)(F)C(F)(F)F ZINC000091252551 181385079 /nfs/dbraw/zinc/38/50/79/181385079.db2.gz PSSBUSNORVDKCN-UHFFFAOYSA-N 1 0 209.183 2.224 10 0 BEAERO [NH3+]CCC[C@@H](Nc1ncccn1)c1ccccc1 ZINC000336792278 181385642 /nfs/dbraw/zinc/38/56/42/181385642.db2.gz RGKXJBOMKDAVKP-CYBMUJFWSA-N 1 0 242.326 2.369 10 0 BEAERO [NH3+]CCCc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000061844163 181387185 /nfs/dbraw/zinc/38/71/85/181387185.db2.gz CURUZIBBWHQDFQ-UHFFFAOYSA-N 1 0 236.706 2.016 10 0 BEAERO [NH3+]CCCc1nnc(-c2ccc(Cl)s2)o1 ZINC000051173449 181388007 /nfs/dbraw/zinc/38/80/07/181388007.db2.gz UTJXTWJEGIWXID-UHFFFAOYSA-N 1 0 243.719 2.343 10 0 BEAERO [NH3+]CCCc1noc(-c2ccc3c(c2)CCC3)n1 ZINC000054139046 181388035 /nfs/dbraw/zinc/38/80/35/181388035.db2.gz JRSYIKARQMRZME-UHFFFAOYSA-N 1 0 243.310 2.117 10 0 BEAERO [NH3+]CCN(C(=O)c1ccco1)C1CCCCC1 ZINC000020183529 181390094 /nfs/dbraw/zinc/39/00/94/181390094.db2.gz YWBALCXUDWOHLD-UHFFFAOYSA-N 1 0 236.315 2.013 10 0 BEAERO NCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000037712824 181396890 /nfs/dbraw/zinc/39/68/90/181396890.db2.gz MIJDPPCCHGPBCQ-UHFFFAOYSA-N 1 0 224.735 2.134 10 0 BEAERO [NH3+]CCNc1c(Cl)cccc1Cl ZINC000039261718 181397789 /nfs/dbraw/zinc/39/77/89/181397789.db2.gz XEWPCYPDZQFHCM-UHFFFAOYSA-N 1 0 205.088 2.364 10 0 BEAERO [NH3+]CCNc1ccc(C(F)(F)F)cc1 ZINC000052945676 181398521 /nfs/dbraw/zinc/39/85/21/181398521.db2.gz DFSWPNWKQFXQNQ-UHFFFAOYSA-N 1 0 204.195 2.076 10 0 BEAERO [NH3+]CCOCCSc1ccc(Cl)s1 ZINC000057529140 181398881 /nfs/dbraw/zinc/39/88/81/181398881.db2.gz HHDYRNAEDBNCTM-UHFFFAOYSA-N 1 0 237.777 2.469 10 0 BEAERO [NH3+]CCc1c(F)cccc1Br ZINC000075845461 181411209 /nfs/dbraw/zinc/41/12/09/181411209.db2.gz AYBXTNALAPGVHP-UHFFFAOYSA-N 1 0 218.069 2.089 10 0 BEAERO [NH3+]CC[C@@H]1CCSc2c(O)cccc21 ZINC000082374869 181405641 /nfs/dbraw/zinc/40/56/41/181405641.db2.gz XOGHXVHWQRAGOS-MRVPVSSYSA-N 1 0 209.314 2.320 10 0 BEAERO [NH3+]CCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000040173589 181412903 /nfs/dbraw/zinc/41/29/03/181412903.db2.gz BNELGSDUIXRWBM-UHFFFAOYSA-N 1 0 248.307 2.040 10 0 BEAERO [NH3+]CCc1cnn(Cc2ccccc2Cl)c1 ZINC000054740820 181412948 /nfs/dbraw/zinc/41/29/48/181412948.db2.gz LFGHPZZXHYLEGB-UHFFFAOYSA-N 1 0 235.718 2.086 10 0 BEAERO [NH3+]CCc1csc(N2CCc3ccccc32)n1 ZINC000020185418 181413253 /nfs/dbraw/zinc/41/32/53/181413253.db2.gz ZBGZGEPIYNIIKO-UHFFFAOYSA-N 1 0 245.351 2.339 10 0 BEAERO [NH3+]CCc1csc(NCCc2ccccc2)n1 ZINC000020185294 181413369 /nfs/dbraw/zinc/41/33/69/181413369.db2.gz XWKZVXSVTYMUJH-UHFFFAOYSA-N 1 0 247.367 2.299 10 0 BEAERO [NH3+]CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000011587013 181414035 /nfs/dbraw/zinc/41/40/35/181414035.db2.gz KMNHIVDQZQZYJP-UHFFFAOYSA-N 1 0 222.675 2.496 10 0 BEAERO [NH3+]C[C@@H](c1ccccc1Cl)n1ccnc1 ZINC000043053053 181426130 /nfs/dbraw/zinc/42/61/30/181426130.db2.gz HMGNFIFYLUMOOE-NSHDSACASA-N 1 0 221.691 2.085 10 0 BEAERO [NH3+]C[C@@H](c1ccccc1F)n1cc(Cl)cn1 ZINC000043046292 181425702 /nfs/dbraw/zinc/42/57/02/181425702.db2.gz QSKGQDZPSYSWML-NSHDSACASA-N 1 0 239.681 2.224 10 0 BEAERO CC[C@@H](C)c1nnc([C@@H]([NH3+])C(C)(C)C)[nH]1 ZINC000675060684 541464124 /nfs/dbraw/zinc/46/41/24/541464124.db2.gz LURSKXHDOOSSRV-HTQZYQBOSA-N 1 0 210.325 2.364 10 0 BEAERO CC(C)c1cccc2cc(C[NH3+])c(=O)[nH]c21 ZINC000011980163 541481622 /nfs/dbraw/zinc/48/16/22/541481622.db2.gz IDKVCGIICZCMPG-UHFFFAOYSA-N 1 0 216.284 2.110 10 0 BEAERO CC[C@@H](C[NH3+])[C@H](O)c1occc1Br ZINC000233874041 541510216 /nfs/dbraw/zinc/51/02/16/541510216.db2.gz MZSBZFYAKGUHEP-XPUUQOCRSA-N 1 0 248.120 2.060 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000380376298 367194429 /nfs/dbraw/zinc/19/44/29/367194429.db2.gz IKFWATXFPWELRU-STQMWFEESA-N 1 0 243.391 2.284 10 0 BEAERO Cc1nc2ccccc2nc1N[C@H](C)[C@@H](C)[NH3+] ZINC000381410020 367396958 /nfs/dbraw/zinc/39/69/58/367396958.db2.gz XOMTWAGMFHMYBX-RKDXNWHRSA-N 1 0 230.315 2.086 10 0 BEAERO COC[C@@H](C)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000381487712 367418423 /nfs/dbraw/zinc/41/84/23/367418423.db2.gz VZMZNBNUARSEME-RVMXOQNASA-N 1 0 229.364 2.062 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2CCCC2(F)F)cnn1C ZINC000381692392 367447121 /nfs/dbraw/zinc/44/71/21/367447121.db2.gz NQZFDRZLLWIAHX-LLVKDONJSA-N 1 0 243.301 2.254 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CCCC2(F)F)cnn1C ZINC000381692404 367447811 /nfs/dbraw/zinc/44/78/11/367447811.db2.gz NQZFDRZLLWIAHX-NSHDSACASA-N 1 0 243.301 2.254 10 0 BEAERO Cc1noc([C@@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382185585 367496882 /nfs/dbraw/zinc/49/68/82/367496882.db2.gz BPLVOZODKDPKHV-DQDDRIPDSA-N 1 0 221.304 2.217 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncnc3ccccc32)C1 ZINC000382472263 367529144 /nfs/dbraw/zinc/52/91/44/367529144.db2.gz QOOFAECSCCAOQW-QWRGUYRKSA-N 1 0 242.326 2.169 10 0 BEAERO CC(C)c1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)ncn1 ZINC000382488111 367530916 /nfs/dbraw/zinc/53/09/16/367530916.db2.gz HGDNSQBAIPIMGT-GHMZBOCLSA-N 1 0 234.347 2.139 10 0 BEAERO [NH3+]CC[C@H](Nc1nccc2occc21)C(F)F ZINC000383363395 367617136 /nfs/dbraw/zinc/61/71/36/367617136.db2.gz FBAVVBDXETWYRZ-QMMMGPOBSA-N 1 0 241.241 2.222 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1CC ZINC000384038348 367669165 /nfs/dbraw/zinc/66/91/65/367669165.db2.gz UFPGAECEDPEJSX-MGPQQGTHSA-N 1 0 243.391 2.284 10 0 BEAERO CC(C)CN(C(=O)[C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000384284550 367682185 /nfs/dbraw/zinc/68/21/85/367682185.db2.gz VCUTYROAOKNMDS-AAEUAGOBSA-N 1 0 238.375 2.022 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384501092 367694165 /nfs/dbraw/zinc/69/41/65/367694165.db2.gz CKJAHLIZIPEMBT-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000385421047 367827551 /nfs/dbraw/zinc/82/75/51/367827551.db2.gz AWAUXMPIZTXDGX-MGPQQGTHSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)(O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000075904713 367977190 /nfs/dbraw/zinc/97/71/90/367977190.db2.gz GWZYMYGIZVJIDQ-UHFFFAOYSA-N 1 0 219.328 2.381 10 0 BEAERO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CCC(=O)C2)C1 ZINC000252869121 368162593 /nfs/dbraw/zinc/16/25/93/368162593.db2.gz RTOSDJAXGVRCPS-MNOVXSKESA-N 1 0 209.333 2.476 10 0 BEAERO CN(CC1CCCC1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000104363699 368296409 /nfs/dbraw/zinc/29/64/09/368296409.db2.gz DTLMDZXPPMBHQJ-CYBMUJFWSA-N 1 0 238.375 2.025 10 0 BEAERO COc1ccc2c(c1)C(=O)[C@@H](CC[NH+](C)C)C2 ZINC000038284450 368325349 /nfs/dbraw/zinc/32/53/49/368325349.db2.gz YHOHLOQNEIDDKG-NSHDSACASA-N 1 0 233.311 2.002 10 0 BEAERO C[NH2+]CCCCOc1ccc(OC)c(OC)c1 ZINC000059470732 368333537 /nfs/dbraw/zinc/33/35/37/368333537.db2.gz ZMQZOLSNTCIJSF-UHFFFAOYSA-N 1 0 239.315 2.082 10 0 BEAERO CN(C)C(=O)Nc1cccc(C2CC[NH2+]CC2)c1 ZINC000222224802 368362946 /nfs/dbraw/zinc/36/29/46/368362946.db2.gz CNQFMKIOSLVLTI-UHFFFAOYSA-N 1 0 247.342 2.247 10 0 BEAERO CC(C)(C)OC(=O)N[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000105641736 368451548 /nfs/dbraw/zinc/45/15/48/368451548.db2.gz COJNHDCEWDUHMX-GXFFZTMASA-N 1 0 240.347 2.043 10 0 BEAERO CC[C@@H]1CCC[C@@H](C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000253159264 368568623 /nfs/dbraw/zinc/56/86/23/368568623.db2.gz IKTDLBOEDBIVOA-UTUOFQBUSA-N 1 0 209.333 2.381 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000253167430 368581605 /nfs/dbraw/zinc/58/16/05/368581605.db2.gz WPLCBYYLSBLOPJ-WYUUTHIRSA-N 1 0 209.333 2.237 10 0 BEAERO CC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000065965284 368638223 /nfs/dbraw/zinc/63/82/23/368638223.db2.gz JIRZPVHATYJQKS-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1cc2ccccc2nc1N[C@H](C)C[NH3+] ZINC000082576450 368695443 /nfs/dbraw/zinc/69/54/43/368695443.db2.gz IMUYDSIQPVZHTJ-SNVBAGLBSA-N 1 0 215.300 2.302 10 0 BEAERO C[NH+](C)C1([C@H](N)Cc2ccccc2)CCCC1 ZINC000085751832 368869775 /nfs/dbraw/zinc/86/97/75/368869775.db2.gz KWOCLTDDNGSGQU-CQSZACIVSA-N 1 0 232.371 2.431 10 0 BEAERO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)C(C)(C)C ZINC000112450393 368872326 /nfs/dbraw/zinc/87/23/26/368872326.db2.gz DFNPIHHGQHHVDV-LLVKDONJSA-N 1 0 243.395 2.060 10 0 BEAERO CC(C)C(CCC[NH+](C)C)(C(N)=O)C(C)C ZINC000003637959 368876199 /nfs/dbraw/zinc/87/61/99/368876199.db2.gz BEAIFHZLQZEVNX-UHFFFAOYSA-N 1 0 228.380 2.112 10 0 BEAERO C[NH+]1CCC([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000003621398 368876204 /nfs/dbraw/zinc/87/62/04/368876204.db2.gz FLNPMFIPMFSRQX-LSDHHAIUSA-N 1 0 231.339 2.234 10 0 BEAERO CCC(CC)N(CC(C)C)C(=O)[C@@H](C)[NH2+]C ZINC000086453636 368881516 /nfs/dbraw/zinc/88/15/16/368881516.db2.gz ICWSUFLLDYNQAW-LLVKDONJSA-N 1 0 228.380 2.268 10 0 BEAERO CC[NH2+]CCCNc1ncc(Cl)cc1F ZINC000086711111 368883995 /nfs/dbraw/zinc/88/39/95/368883995.db2.gz WQGHOJMUSDKAGI-UHFFFAOYSA-N 1 0 231.702 2.286 10 0 BEAERO COc1cc2c(cc1OC)[C@@H](C[NH3+])CCC2 ZINC000084419276 368854461 /nfs/dbraw/zinc/85/44/61/368854461.db2.gz XRRAMPRLMQTVDZ-SNVBAGLBSA-N 1 0 221.300 2.082 10 0 BEAERO OCCCCCCCCCC[NH+]1CCOCC1 ZINC000116084339 369019244 /nfs/dbraw/zinc/01/92/44/369019244.db2.gz IXFYPUKBGMCCSZ-UHFFFAOYSA-N 1 0 243.391 2.432 10 0 BEAERO C[NH2+][C@H](c1ccccc1)[C@H]1CCC[C@@H]1O ZINC000006179271 369031643 /nfs/dbraw/zinc/03/16/43/369031643.db2.gz MADZUUMZBFVKIY-RWMBFGLXSA-N 1 0 205.301 2.108 10 0 BEAERO Cc1ccc2c(c1)C[C@@H](CC[NH+](C)C)C2=O ZINC000090502503 368987148 /nfs/dbraw/zinc/98/71/48/368987148.db2.gz NLQLXYFETJOAQI-LLVKDONJSA-N 1 0 217.312 2.302 10 0 BEAERO [NH3+]C[C@@H]1C[C@@H]1c1ccc(Br)o1 ZINC000054561741 181438167 /nfs/dbraw/zinc/43/81/67/181438167.db2.gz RBVZHUIPZBFEJT-WDSKDSINSA-N 1 0 216.078 2.104 10 0 BEAERO [NH3+]C[C@@H]1Cc2cccc(-c3cccnc3)c2O1 ZINC000034544411 181438779 /nfs/dbraw/zinc/43/87/79/181438779.db2.gz QZMLLAGZUFDKBJ-LBPRGKRZSA-N 1 0 226.279 2.011 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1OCc1ccco1 ZINC000035235925 181458300 /nfs/dbraw/zinc/45/83/00/181458300.db2.gz OENVRCVSWLRFJN-PWSUYJOCSA-N 1 0 209.289 2.314 10 0 BEAERO [NH3+]C[C@H](c1ccccn1)N1CCc2ccccc21 ZINC000019263572 181454529 /nfs/dbraw/zinc/45/45/29/181454529.db2.gz NFBQTFLBOVNOCJ-OAHLLOKOSA-N 1 0 239.322 2.144 10 0 BEAERO [NH3+]C[C@H]1C[C@H](c2ccccc2)CCC1=O ZINC000098095980 181468087 /nfs/dbraw/zinc/46/80/87/181468087.db2.gz DOTRQWHUCQMNQH-VXGBXAGGSA-N 1 0 203.285 2.098 10 0 BEAERO [NH3+]C[C@H]1Cc2cc(Cl)cc(Cl)c2O1 ZINC000005783990 181468334 /nfs/dbraw/zinc/46/83/34/181468334.db2.gz ZBQZTPJURPAGDG-SSDOTTSWSA-N 1 0 218.083 2.256 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1SC1CCOCC1 ZINC000062055189 181462142 /nfs/dbraw/zinc/46/21/42/181462142.db2.gz DXGFBKPXHZPTJF-KOLCDFICSA-N 1 0 215.362 2.026 10 0 BEAERO [NH3+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000095761410 181477495 /nfs/dbraw/zinc/47/74/95/181477495.db2.gz RPUXBIDOELRMCG-UHFFFAOYSA-N 1 0 210.586 2.213 10 0 BEAERO CC[C@@]1(CNCc2ccccc2)CCC[NH2+]1 ZINC000215403090 370958013 /nfs/dbraw/zinc/95/80/13/370958013.db2.gz SUSNJMHBPHAWAB-AWEZNQCLSA-N 1 0 218.344 2.308 10 0 BEAERO CC[C@@](C)(O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459753092 203356518 /nfs/dbraw/zinc/35/65/18/203356518.db2.gz JYLHBFZNTKCLRK-GFCCVEGCSA-N 1 0 211.349 2.460 10 0 BEAERO COc1ccc(C[NH2+]C2(C3CCC3)CCC2)nn1 ZINC000459758331 203357799 /nfs/dbraw/zinc/35/77/99/203357799.db2.gz PUXXUYPNVVIWQS-UHFFFAOYSA-N 1 0 247.342 2.298 10 0 BEAERO CC[C@H](C)NC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459780437 203365441 /nfs/dbraw/zinc/36/54/41/203365441.db2.gz VIMKYPAYAZIXBU-NSHDSACASA-N 1 0 238.375 2.214 10 0 BEAERO [NH3+]Cc1ccc(OC2CC2)cc1Br ZINC000095738048 181484881 /nfs/dbraw/zinc/48/48/81/181484881.db2.gz XEIORYOQTMXZNH-UHFFFAOYSA-N 1 0 242.116 2.449 10 0 BEAERO [NH3+]Cc1cccc(-c2nc3cc[nH]cc-3n2)c1 ZINC000071166674 181487901 /nfs/dbraw/zinc/48/79/01/181487901.db2.gz DDPDFAFCLVDRPK-UHFFFAOYSA-N 1 0 224.267 2.084 10 0 BEAERO CCC(C)(C)OCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308687727 370149521 /nfs/dbraw/zinc/14/95/21/370149521.db2.gz BHXNLNUMLDRWTM-LLVKDONJSA-N 1 0 231.380 2.188 10 0 BEAERO C[C@H]([NH2+]Cc1cncc(Cl)c1)[C@@H]1CCCO1 ZINC000621277313 370207974 /nfs/dbraw/zinc/20/79/74/370207974.db2.gz GWBHHIPNVUBFAQ-CABZTGNLSA-N 1 0 240.734 2.392 10 0 BEAERO CC(C)(C)OC(=O)N1CCC(C)(CC[NH3+])CC1 ZINC000113628297 370443843 /nfs/dbraw/zinc/44/38/43/370443843.db2.gz ZXAWHVKPOIYDRU-UHFFFAOYSA-N 1 0 242.363 2.372 10 0 BEAERO COC(=O)c1ccc2c(c1)[C@@H]([NH3+])C(C)(C)C2 ZINC000113931015 370515744 /nfs/dbraw/zinc/51/57/44/370515744.db2.gz XLIUGMGXATVBNK-LLVKDONJSA-N 1 0 219.284 2.055 10 0 BEAERO CC[C@@H]1CS[C@@H](c2cncs2)N1 ZINC000161614680 370606005 /nfs/dbraw/zinc/60/60/05/370606005.db2.gz VQOAMOSKTXZFTK-SVRRBLITSA-N 1 0 200.332 2.257 10 0 BEAERO CC(C)(C)CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000313471098 370589682 /nfs/dbraw/zinc/58/96/82/370589682.db2.gz PIEHLFCLADXMRS-GFCCVEGCSA-N 1 0 240.391 2.319 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000313481586 370590193 /nfs/dbraw/zinc/59/01/93/370590193.db2.gz LYPLJYMSBKBSQN-CQSZACIVSA-N 1 0 240.391 2.461 10 0 BEAERO CC(C)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000623763778 371086262 /nfs/dbraw/zinc/08/62/62/371086262.db2.gz OYIUJBPHHQTZIP-CABCVRRESA-N 1 0 249.354 2.049 10 0 BEAERO CC(C)[C@H]1C[NH2+]CC[C@@H]1c1nccs1 ZINC000161793156 371142773 /nfs/dbraw/zinc/14/27/73/371142773.db2.gz FEMBOCQOGZILNR-VHSXEESVSA-N 1 0 210.346 2.492 10 0 BEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000048627551 181553439 /nfs/dbraw/zinc/55/34/39/181553439.db2.gz LHUVBMGTBYPDMM-PWSUYJOCSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H](Cc1ccncc1)c1cccc(F)c1 ZINC000053134773 181558521 /nfs/dbraw/zinc/55/85/21/181558521.db2.gz VXWJRTQGWKFRFR-ZDUSSCGKSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@@H](c1ccc2c(c1)CCCO2)[C@@H]1CCCOC1 ZINC000062234338 181564134 /nfs/dbraw/zinc/56/41/34/181564134.db2.gz PZSZRHLPEDQMCF-HIFRSBDPSA-N 1 0 247.338 2.438 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1N1Cc2ccccc2C1 ZINC000050910941 181573073 /nfs/dbraw/zinc/57/30/73/181573073.db2.gz NOGOXXJPGYALOO-KGLIPLIRSA-N 1 0 216.328 2.272 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CCCCC1 ZINC000055091716 181573379 /nfs/dbraw/zinc/57/33/79/181573379.db2.gz CNZAVNOZPHDIQD-DGCLKSJQSA-N 1 0 238.375 2.343 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1Oc1cccc(F)c1 ZINC000019387915 181574847 /nfs/dbraw/zinc/57/48/47/181574847.db2.gz XFBWSPSSRBFWDG-NEPJUHHUSA-N 1 0 209.264 2.474 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1c1nc(Cc2cccs2)no1 ZINC000075759808 181584721 /nfs/dbraw/zinc/58/47/21/181584721.db2.gz OOEWEFHPLXFQCM-NXEZZACHSA-N 1 0 249.339 2.317 10 0 BEAERO [NH3+][C@H](CCO)c1ccc2ccccc2c1 ZINC000002530230 181616431 /nfs/dbraw/zinc/61/64/31/181616431.db2.gz KCFXGMLFKOPOPM-CYBMUJFWSA-N 1 0 201.269 2.222 10 0 BEAERO [NH3+][C@H](Cc1ccsc1)[C@@H]1CCCOC1 ZINC000062236888 181627020 /nfs/dbraw/zinc/62/70/20/181627020.db2.gz OJXUXOFCGSELQJ-GHMZBOCLSA-N 1 0 211.330 2.045 10 0 BEAERO [NH3+][C@@H](Cc1cccs1)Cc1ccccn1 ZINC000053818121 181627087 /nfs/dbraw/zinc/62/70/87/181627087.db2.gz ZBAGRYKDIVTYQV-SNVBAGLBSA-N 1 0 218.325 2.256 10 0 BEAERO [NH3+][C@H](Cc1ccccc1F)c1cccnc1 ZINC000037466392 181627714 /nfs/dbraw/zinc/62/77/14/181627714.db2.gz UUMPGRZUCGEKSO-CYBMUJFWSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@H]1CCc2c(Cl)cc(Cl)cc2[C@H]1O ZINC000008699444 181655161 /nfs/dbraw/zinc/65/51/61/181655161.db2.gz OKVANKUUGAGAAX-VHSXEESVSA-N 1 0 232.110 2.300 10 0 BEAERO [NH3+][C@H]1CSC[C@H]1Cc1ccccc1F ZINC000098099412 181657478 /nfs/dbraw/zinc/65/74/78/181657478.db2.gz ZMPJDPGDZVZIQT-KOLCDFICSA-N 1 0 211.305 2.059 10 0 BEAERO CCn1ccnc1C[NH2+]CCCCSC ZINC000125257757 371309779 /nfs/dbraw/zinc/30/97/79/371309779.db2.gz DZQUQTLURXECTE-UHFFFAOYSA-N 1 0 227.377 2.136 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1c1nc(Cc2ccccc2)no1 ZINC000104055919 181648294 /nfs/dbraw/zinc/64/82/94/181648294.db2.gz NCFYSBBXWFRULO-NEPJUHHUSA-N 1 0 243.310 2.255 10 0 BEAERO Nc1cc(C2CC[NH2+]CC2)ccc1Cl ZINC000075904646 181681232 /nfs/dbraw/zinc/68/12/32/181681232.db2.gz TYWYJFKOLDSHTA-UHFFFAOYSA-N 1 0 210.708 2.389 10 0 BEAERO [NH3+][C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)OCc1ccccc1 ZINC000169617537 181660104 /nfs/dbraw/zinc/66/01/04/181660104.db2.gz KIDIWSPNMARBQG-RFQIPJPRSA-N 1 0 245.322 2.103 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)c(C)c1 ZINC000624235946 371423625 /nfs/dbraw/zinc/42/36/25/371423625.db2.gz SSQVYRUWLWVJIV-AEGPPILISA-N 1 0 249.354 2.104 10 0 BEAERO C[C@H](c1ccsc1)N1CC[NH2+]C[C@@H]1C ZINC000225564416 371556285 /nfs/dbraw/zinc/55/62/85/371556285.db2.gz YAEADBCSMIUASN-VHSXEESVSA-N 1 0 210.346 2.103 10 0 BEAERO CCOc1ccccc1[C@H](C)N1CC[NH2+]CC1 ZINC000022118503 371519354 /nfs/dbraw/zinc/51/93/54/371519354.db2.gz LHYRPFVYLYSDPU-LBPRGKRZSA-N 1 0 234.343 2.052 10 0 BEAERO CC[C@@](C)(O)C[NH2+]Cc1ccnc2ccccc12 ZINC000096478647 371497815 /nfs/dbraw/zinc/49/78/15/371497815.db2.gz AHYCWPHEXXKZQR-OAHLLOKOSA-N 1 0 244.338 2.485 10 0 BEAERO F[C@H]([C@@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225685487 371565293 /nfs/dbraw/zinc/56/52/93/371565293.db2.gz GHFPVZVJSIAQII-NTSWFWBYSA-N 1 0 246.070 2.454 10 0 BEAERO F[C@@H]([C@@H]1CCC[NH2+]1)C(F)(F)Br ZINC000225685580 371565481 /nfs/dbraw/zinc/56/54/81/371565481.db2.gz NDXYGLSYEZVOCJ-WHFBIAKZSA-N 1 0 232.043 2.064 10 0 BEAERO [NH3+][C@H]1CC[C@@](F)(C(F)(F)Br)C1 ZINC000225684427 371566079 /nfs/dbraw/zinc/56/60/79/371566079.db2.gz YXSAMTKMEZELRE-WHFBIAKZSA-N 1 0 232.043 2.194 10 0 BEAERO C[C@H](C[N@@H+]1CC[C@@H](C)C[C@@H]1C)C(N)=S ZINC000225724014 371570507 /nfs/dbraw/zinc/57/05/07/371570507.db2.gz LCYBVIXSTKIRIV-BBBLOLIVSA-N 1 0 214.378 2.029 10 0 BEAERO C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](O)C1 ZINC000225739543 371572055 /nfs/dbraw/zinc/57/20/55/371572055.db2.gz JNENMJLNQRZDKG-CHWSQXEVSA-N 1 0 205.301 2.032 10 0 BEAERO Cc1cccc(NC2C[NH2+]C2)c1Br ZINC000131498019 371611538 /nfs/dbraw/zinc/61/15/38/371611538.db2.gz ADFDRMRIASIRIF-UHFFFAOYSA-N 1 0 241.132 2.141 10 0 BEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)c2ccco2)C1 ZINC000226467902 371670921 /nfs/dbraw/zinc/67/09/21/371670921.db2.gz YMVMJVGFOHEHMT-CABZTGNLSA-N 1 0 207.273 2.370 10 0 BEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)c2ccco2)C1 ZINC000226467908 371671835 /nfs/dbraw/zinc/67/18/35/371671835.db2.gz YMVMJVGFOHEHMT-JOYOIKCWSA-N 1 0 207.273 2.370 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Cc2ccsc2)C1 ZINC000226336690 371648901 /nfs/dbraw/zinc/64/89/01/371648901.db2.gz FADAJPAMZNKJNS-GHMZBOCLSA-N 1 0 223.341 2.377 10 0 BEAERO CCCC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000226387743 371658040 /nfs/dbraw/zinc/65/80/40/371658040.db2.gz MXCGJXQPOWBQFU-LBPRGKRZSA-N 1 0 203.285 2.243 10 0 BEAERO CC[C@](C)([NH3+])C(=O)c1cccc(F)c1F ZINC000226661643 371719805 /nfs/dbraw/zinc/71/98/05/371719805.db2.gz WNNWUXNVUCFHMJ-NSHDSACASA-N 1 0 213.227 2.275 10 0 BEAERO [NH3+][C@@H]1C=C[C@@H](C(=O)CC2CCCCC2)C1 ZINC000226564501 371698552 /nfs/dbraw/zinc/69/85/52/371698552.db2.gz LPJBDRMPOJXVKA-VXGBXAGGSA-N 1 0 207.317 2.429 10 0 BEAERO C1CC(S[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000132166107 371760135 /nfs/dbraw/zinc/76/01/35/371760135.db2.gz LTRRGYUPHGODSY-LLVKDONJSA-N 1 0 215.362 2.041 10 0 BEAERO C[C@]([NH3+])(Cc1ccc(F)cc1)C(F)F ZINC000162692048 371822411 /nfs/dbraw/zinc/82/24/11/371822411.db2.gz YPPCDKBLNLQCMZ-JTQLQIEISA-N 1 0 203.207 2.351 10 0 BEAERO Cc1sccc1[C@H]([NH3+])[C@@H]1CSCCO1 ZINC000227798807 371939753 /nfs/dbraw/zinc/93/97/53/371939753.db2.gz COIXJCCHQBVZLW-UWVGGRQHSA-N 1 0 229.370 2.188 10 0 BEAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000627727950 371916891 /nfs/dbraw/zinc/91/68/91/371916891.db2.gz WSFOLERYKYPYNH-VXGBXAGGSA-N 1 0 248.370 2.424 10 0 BEAERO C[C@@H](C[NH2+]C1CC1)CN(C)C(=O)OC(C)(C)C ZINC000227666180 371917982 /nfs/dbraw/zinc/91/79/82/371917982.db2.gz MIFWKUWPLUXNLR-JTQLQIEISA-N 1 0 242.363 2.241 10 0 BEAERO C[Si](C)(C)C[C@]1(C[NH3+])CCCOC1 ZINC000230927236 371977510 /nfs/dbraw/zinc/97/75/10/371977510.db2.gz CVUJKLVLNXONSF-JTQLQIEISA-N 1 0 201.386 2.080 10 0 BEAERO C[C@@H]1SCCS[C@H]1[C@@H]([NH3+])CC1CC1 ZINC000228110630 371991566 /nfs/dbraw/zinc/99/15/66/371991566.db2.gz RPILGRKSAZJJRU-UJNFCWOMSA-N 1 0 217.403 2.351 10 0 BEAERO CS[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000227843685 371947538 /nfs/dbraw/zinc/94/75/38/371947538.db2.gz DHUSWVYCHPOCFO-CHWFTXMASA-N 1 0 215.362 2.038 10 0 BEAERO Cc1sccc1C(=O)[C@](C)([NH3+])C1CC1 ZINC000227879590 371951341 /nfs/dbraw/zinc/95/13/41/371951341.db2.gz PTMMIRHEHHRYKA-LLVKDONJSA-N 1 0 209.314 2.367 10 0 BEAERO Cc1sccc1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000227881760 371955641 /nfs/dbraw/zinc/95/56/41/371955641.db2.gz OPHGKXDCZWPOOV-VXNVDRBHSA-N 1 0 209.314 2.237 10 0 BEAERO Cc1csc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000306552266 372036161 /nfs/dbraw/zinc/03/61/61/372036161.db2.gz KEOWTRGEHLTNAZ-DTWKUNHWSA-N 1 0 211.334 2.133 10 0 BEAERO Cc1cc([C@@H](F)[C@@H]2CCC[NH2+]2)sn1 ZINC000306346973 372012545 /nfs/dbraw/zinc/01/25/45/372012545.db2.gz BUKOBZFDIOFKGO-CBAPKCEASA-N 1 0 200.282 2.214 10 0 BEAERO Cc1ccsc1[C@H]1C[NH2+][C@H](C)CCO1 ZINC000133811350 372115342 /nfs/dbraw/zinc/11/53/42/372115342.db2.gz IIVXIJOBRRSRDD-NXEZZACHSA-N 1 0 211.330 2.496 10 0 BEAERO CC(C)([NH3+])c1nc(-c2cscn2)cs1 ZINC000229139354 372122567 /nfs/dbraw/zinc/12/25/67/372122567.db2.gz JZCBRTGUASFJGC-UHFFFAOYSA-N 1 0 225.342 2.460 10 0 BEAERO C[C@@H]([NH2+]Cc1ccccc1)c1ccncn1 ZINC000306880972 372075319 /nfs/dbraw/zinc/07/53/19/372075319.db2.gz LEWZQQJVVMACBW-LLVKDONJSA-N 1 0 213.284 2.327 10 0 BEAERO CC[NH2+]C1(C(F)F)C[C@@H](C)O[C@H](C)C1 ZINC000133678160 372086177 /nfs/dbraw/zinc/08/61/77/372086177.db2.gz HNQLZEUJTBPVGI-HTQZYQBOSA-N 1 0 207.264 2.187 10 0 BEAERO C[C@H]1CSC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307160783 372089880 /nfs/dbraw/zinc/08/98/80/372089880.db2.gz FCLUGKNIPQLQCA-JQWIXIFHSA-N 1 0 249.383 2.052 10 0 BEAERO Cc1cc2c(c(C)c1Cl)[C@H](C[NH3+])CO2 ZINC000606303035 372092023 /nfs/dbraw/zinc/09/20/23/372092023.db2.gz CFQMZGANFMVBKJ-MRVPVSSYSA-N 1 0 211.692 2.392 10 0 BEAERO [NH3+]CC[C@@H]1COc2cc3c(cc21)CCC3 ZINC000606304444 372094143 /nfs/dbraw/zinc/09/41/43/372094143.db2.gz ZFQYIQGWBDUSOH-LLVKDONJSA-N 1 0 203.285 2.000 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](c2cccc(Cl)c2)O1 ZINC000032012623 372134401 /nfs/dbraw/zinc/13/44/01/372134401.db2.gz NEOAXIQXEJQMLV-GZMMTYOYSA-N 1 0 211.692 2.389 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])[C@@H]1CO[C@H](C)C1 ZINC000229489033 372156811 /nfs/dbraw/zinc/15/68/11/372156811.db2.gz PQSZCVPNSNYYMV-KXUCPTDWSA-N 1 0 211.330 2.481 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H](N)c2cccs2)C1 ZINC000134103687 372159304 /nfs/dbraw/zinc/15/93/04/372159304.db2.gz AUZZZZQRRPTWID-ZJUUUORDSA-N 1 0 210.346 2.090 10 0 BEAERO COc1ccsc1[C@H]1CC[NH2+]C[C@H]1C ZINC000229543082 372162345 /nfs/dbraw/zinc/16/23/45/372162345.db2.gz NVFBCEQSEFVIOI-BDAKNGLRSA-N 1 0 211.330 2.470 10 0 BEAERO C[C@H]1C[NH2+]CC[C@]1(O)c1ccc(Cl)s1 ZINC000229562309 372166598 /nfs/dbraw/zinc/16/65/98/372166598.db2.gz YIVDSVAUZOECRN-OIBJUYFYSA-N 1 0 231.748 2.219 10 0 BEAERO CCSCC[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000133880292 372124644 /nfs/dbraw/zinc/12/46/44/372124644.db2.gz ORQVHNYYWFVQPA-JGVFFNPUSA-N 1 0 245.310 2.031 10 0 BEAERO O=C(CC[C@@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000134478907 181924914 /nfs/dbraw/zinc/92/49/14/181924914.db2.gz OELVRMAUBKLGHN-CYBMUJFWSA-N 1 0 238.375 2.073 10 0 BEAERO O=C(CC[C@H]1CC[NH2+]C1)NCCC1CCCC1 ZINC000134506090 181927634 /nfs/dbraw/zinc/92/76/34/181927634.db2.gz LNRGEOGHHWYIRJ-ZDUSSCGKSA-N 1 0 238.375 2.073 10 0 BEAERO CCOc1cccc([C@@H](C[NH3+])N(CC)CC)c1 ZINC000038970641 372839006 /nfs/dbraw/zinc/83/90/06/372839006.db2.gz NZDYMNKPIAFDSM-CQSZACIVSA-N 1 0 236.359 2.427 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000039214369 182019684 /nfs/dbraw/zinc/01/96/84/182019684.db2.gz YZTFEQHQURUFIS-JTQLQIEISA-N 1 0 221.275 2.398 10 0 BEAERO CCC[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000039287277 372930033 /nfs/dbraw/zinc/93/00/33/372930033.db2.gz GJPNFYDBDMZZSW-UHFFFAOYSA-N 1 0 230.311 2.038 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000039214370 182028585 /nfs/dbraw/zinc/02/85/85/182028585.db2.gz YZTFEQHQURUFIS-SNVBAGLBSA-N 1 0 221.275 2.398 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC000054301775 182028597 /nfs/dbraw/zinc/02/85/97/182028597.db2.gz DYQAWROOOATBLM-LLVKDONJSA-N 1 0 225.332 2.252 10 0 BEAERO O=C(Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000041285713 182032746 /nfs/dbraw/zinc/03/27/46/182032746.db2.gz YJSQYVFFFJWWHI-LLVKDONJSA-N 1 0 241.693 2.343 10 0 BEAERO O[C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000245224227 373194972 /nfs/dbraw/zinc/19/49/72/373194972.db2.gz SQONRQLNHUZFGN-ZKCHVHJHSA-N 1 0 246.763 2.190 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])CNCc1ccccc1 ZINC000040409699 373241483 /nfs/dbraw/zinc/24/14/83/373241483.db2.gz PPGAIVBQDXBIEF-WCQYABFASA-N 1 0 206.333 2.150 10 0 BEAERO CCCCNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042860868 168845987 /nfs/dbraw/zinc/84/59/87/168845987.db2.gz NXWTUSVNNPPRLD-STQMWFEESA-N 1 0 240.391 2.319 10 0 BEAERO CCCCNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042860874 168845520 /nfs/dbraw/zinc/84/55/20/168845520.db2.gz NXWTUSVNNPPRLD-OLZOCXBDSA-N 1 0 240.391 2.319 10 0 BEAERO Cc1cc([C@@H]2[C@H]([NH3+])CCN2C)c(C)s1 ZINC000069799063 373807143 /nfs/dbraw/zinc/80/71/43/373807143.db2.gz CSXFVOZKOIPULA-GHMZBOCLSA-N 1 0 210.346 2.069 10 0 BEAERO Cc1cc([C@H]2[C@H]([NH3+])CCN2C)c(C)s1 ZINC000069799065 373807706 /nfs/dbraw/zinc/80/77/06/373807706.db2.gz CSXFVOZKOIPULA-MNOVXSKESA-N 1 0 210.346 2.069 10 0 BEAERO C[C@@](O)(c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000069842925 373874691 /nfs/dbraw/zinc/87/46/91/373874691.db2.gz KVANKSDSTAZDDZ-ONGXEEELSA-N 1 0 211.330 2.098 10 0 BEAERO C[C@H](C[N@@H+]1CCCCC[C@H]1C)C(N)=S ZINC000069944863 374089937 /nfs/dbraw/zinc/08/99/37/374089937.db2.gz IDSAPEDAZYCPBY-NXEZZACHSA-N 1 0 214.378 2.173 10 0 BEAERO CO[C@@H]1CCC[C@@H](OCC[C@@H]2CCC[NH2+]C2)C1 ZINC000070329775 374137948 /nfs/dbraw/zinc/13/79/48/374137948.db2.gz ITDVKJOYKBWBGW-BFHYXJOUSA-N 1 0 241.375 2.350 10 0 BEAERO O=C(NC[C@H]1CC[NH2+]C1)C1CCCCCCC1 ZINC000133642193 182243183 /nfs/dbraw/zinc/24/31/83/182243183.db2.gz ODIBZFAUQCAFFT-LBPRGKRZSA-N 1 0 238.375 2.073 10 0 BEAERO C(NC1=[NH+]C[C@@H](C2CC2)S1)C1CCC1 ZINC000070887696 374224387 /nfs/dbraw/zinc/22/43/87/374224387.db2.gz KKYPXXGSNDBRBN-JTQLQIEISA-N 1 0 210.346 2.258 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C1CCCC1 ZINC000246444629 374260907 /nfs/dbraw/zinc/26/09/07/374260907.db2.gz IBSXMLRMFKTHFE-YPMHNXCESA-N 1 0 208.349 2.098 10 0 BEAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)C ZINC000042975095 374314382 /nfs/dbraw/zinc/31/43/82/374314382.db2.gz UXYJAUSHLNYSMD-KWQFWETISA-N 1 0 212.724 2.290 10 0 BEAERO Cc1cc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)no1 ZINC000459544150 206134389 /nfs/dbraw/zinc/13/43/89/206134389.db2.gz QGDLJNUKRFLTMY-UWVGGRQHSA-N 1 0 238.331 2.276 10 0 BEAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000036780368 170066012 /nfs/dbraw/zinc/06/60/12/170066012.db2.gz JGMVIIUJPKKICS-SSDOTTSWSA-N 1 0 246.763 2.188 10 0 BEAERO CCCCNc1nc(C)c(CC[NH3+])s1 ZINC000057496913 168880744 /nfs/dbraw/zinc/88/07/44/168880744.db2.gz WQIBKLNRTSAXPM-UHFFFAOYSA-N 1 0 213.350 2.165 10 0 BEAERO O=C(O[C@@H]1CCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000062132559 182607828 /nfs/dbraw/zinc/60/78/28/182607828.db2.gz IVVJXQXFKNPUPC-TZMCWYRMSA-N 1 0 245.322 2.217 10 0 BEAERO O=C(OCCC[NH2+]Cc1ccccc1)C1CC1 ZINC000082690084 182602148 /nfs/dbraw/zinc/60/21/48/182602148.db2.gz PZLUZGUEQHCFPF-UHFFFAOYSA-N 1 0 233.311 2.120 10 0 BEAERO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccccc1 ZINC000036136438 182616019 /nfs/dbraw/zinc/61/60/19/182616019.db2.gz PFTOHMBWOHUOJM-KBPBESRZSA-N 1 0 244.338 2.102 10 0 BEAERO O=C(c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000019421613 182661922 /nfs/dbraw/zinc/66/19/22/182661922.db2.gz PJHKZGYTRYQFPX-QMMMGPOBSA-N 1 0 225.238 2.147 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178355001 134308978 /nfs/dbraw/zinc/30/89/78/134308978.db2.gz OXCQTOTZNYODIU-GDLCADMTSA-N 1 0 219.328 2.279 10 0 BEAERO CCOC(=O)[C@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037459914 170285906 /nfs/dbraw/zinc/28/59/06/170285906.db2.gz MXBISIMZUWCNIY-SKDRFNHKSA-N 1 0 213.321 2.093 10 0 BEAERO CCCC[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037319400 168947477 /nfs/dbraw/zinc/94/74/77/168947477.db2.gz KPRPPAHDDVWAQK-VOMCLLRMSA-N 1 0 226.364 2.199 10 0 BEAERO OC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041047066 183028466 /nfs/dbraw/zinc/02/84/66/183028466.db2.gz GRGSFIPWMCARJQ-SYFKIGIZSA-N 1 0 209.333 2.068 10 0 BEAERO OC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCC1 ZINC000336725337 183020618 /nfs/dbraw/zinc/02/06/18/183020618.db2.gz GHAQROSEVFEFPA-GHMZBOCLSA-N 1 0 215.312 2.019 10 0 BEAERO OC1(c2ccccc2)C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000038343376 183023183 /nfs/dbraw/zinc/02/31/83/183023183.db2.gz XZHGLQVLVUJNKI-PBWFPOADSA-N 1 0 217.312 2.179 10 0 BEAERO OCC1([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000120391513 183038102 /nfs/dbraw/zinc/03/81/02/183038102.db2.gz PDDDPPBPEWLBFW-UHFFFAOYSA-N 1 0 229.682 2.094 10 0 BEAERO CCCC[C@H](CN)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615268 169002593 /nfs/dbraw/zinc/00/25/93/169002593.db2.gz ZTEVQJNQPCHGCV-GXTWGEPZSA-N 1 0 242.407 2.251 10 0 BEAERO OC[C@@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC000363478976 183115152 /nfs/dbraw/zinc/11/51/52/183115152.db2.gz DYKOGSTVENWDKF-CYBMUJFWSA-N 1 0 211.349 2.271 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)o1 ZINC000037619930 169007351 /nfs/dbraw/zinc/00/73/51/169007351.db2.gz VWGMEEKQYMVASP-MNOVXSKESA-N 1 0 238.331 2.283 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000107980855 183098281 /nfs/dbraw/zinc/09/82/81/183098281.db2.gz YQUPUBCLSHWYSO-GFCCVEGCSA-N 1 0 223.291 2.030 10 0 BEAERO OC[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000166491366 183136398 /nfs/dbraw/zinc/13/63/98/183136398.db2.gz HUMHLGKGPBRHRM-GJZGRUSLSA-N 1 0 231.339 2.281 10 0 BEAERO CCCCc1ccc([C@H](C[NH3+])CO)cc1 ZINC000071510679 169023301 /nfs/dbraw/zinc/02/33/01/169023301.db2.gz ICUNRUMYIBEPHI-CYBMUJFWSA-N 1 0 207.317 2.064 10 0 BEAERO CCCCc1ccc([C@H](C)NC(=O)C[NH3+])cc1 ZINC000107290024 169023390 /nfs/dbraw/zinc/02/33/90/169023390.db2.gz CAHFAEBJUVWULZ-NSHDSACASA-N 1 0 234.343 2.165 10 0 BEAERO CCCCc1ccc([C@H](C)[C@@H](O)C[NH3+])cc1 ZINC000041238458 169023733 /nfs/dbraw/zinc/02/37/33/169023733.db2.gz YFEAQHQTMYQTAB-FZMZJTMJSA-N 1 0 221.344 2.452 10 0 BEAERO CCCCc1nc(Cl)c(C[NH2+]CCOC)[nH]1 ZINC000083374656 169025369 /nfs/dbraw/zinc/02/53/69/169025369.db2.gz KZNMQRAOLPIEJW-UHFFFAOYSA-N 1 0 245.754 2.142 10 0 BEAERO OC[C@@H]1Cc2ccc(Cl)c(Cl)c2C[NH2+]1 ZINC000027549240 183131014 /nfs/dbraw/zinc/13/10/14/183131014.db2.gz BYNFMAOUMAKLOM-ZETCQYMHSA-N 1 0 232.110 2.000 10 0 BEAERO OC[C@H]1CCCC[N@H+](CCOc2ccccc2)C1 ZINC000363355420 183146827 /nfs/dbraw/zinc/14/68/27/183146827.db2.gz JPWGQMCHRDWSGZ-AWEZNQCLSA-N 1 0 249.354 2.160 10 0 BEAERO OC[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090981425 183148002 /nfs/dbraw/zinc/14/80/02/183148002.db2.gz RNYLZDOJNOEKLM-UONOGXRCSA-N 1 0 231.339 2.173 10 0 BEAERO CCCN(C(=O)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000037541649 169040850 /nfs/dbraw/zinc/04/08/50/169040850.db2.gz NLZKYMBJJDIPCL-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO CCCN(C(=O)CCC(C)C)[C@@H]1CCC[NH2+]C1 ZINC000037541530 169041412 /nfs/dbraw/zinc/04/14/12/169041412.db2.gz AIUIVKJKJWBTEY-CYBMUJFWSA-N 1 0 240.391 2.413 10 0 BEAERO CCCN(C(=O)OCC(C)C)C1CC[NH2+]CC1 ZINC000037537798 169043451 /nfs/dbraw/zinc/04/34/51/169043451.db2.gz CVJLJPVWNHDIHI-UHFFFAOYSA-N 1 0 242.363 2.243 10 0 BEAERO CCCN(C(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C)C(C)C ZINC000055126333 169045946 /nfs/dbraw/zinc/04/59/46/169045946.db2.gz VFNCMZDDDCJGDK-AVGNSLFASA-N 1 0 240.391 2.397 10 0 BEAERO O[C@@H](c1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000083264039 183184255 /nfs/dbraw/zinc/18/42/55/183184255.db2.gz QVQGKRURARYRDQ-MNOVXSKESA-N 1 0 229.682 2.265 10 0 BEAERO O[C@@H](c1c[nH]c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000036906409 183184764 /nfs/dbraw/zinc/18/47/64/183184764.db2.gz AVYSGIUTMJEUER-IINYFYTJSA-N 1 0 230.311 2.201 10 0 BEAERO O[C@@H](C[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000070459493 183175144 /nfs/dbraw/zinc/17/51/44/183175144.db2.gz CZOACBHUBBNWDU-LBPRGKRZSA-N 1 0 227.254 2.094 10 0 BEAERO O[C@@H](c1cc(Cl)ccc1F)[C@H]1CCC[NH2+]1 ZINC000083264773 183185088 /nfs/dbraw/zinc/18/50/88/183185088.db2.gz YDXYTTUKDPTOLL-MNOVXSKESA-N 1 0 229.682 2.265 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193116989 183195987 /nfs/dbraw/zinc/19/59/87/183195987.db2.gz OFWUAUGDTIVBFC-VHSXEESVSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000306645867 183197446 /nfs/dbraw/zinc/19/74/46/183197446.db2.gz FYGATCWFCMOQQG-CYBMUJFWSA-N 1 0 217.312 2.176 10 0 BEAERO O[C@@H]1CC[N@H+](C2CCCC2)C12CCCC2 ZINC000335400772 183197688 /nfs/dbraw/zinc/19/76/88/183197688.db2.gz WJFCCGOKGUTSIT-GFCCVEGCSA-N 1 0 209.333 2.308 10 0 BEAERO CCC[N@H+](C)CCCCCn1cccn1 ZINC000104679415 169076566 /nfs/dbraw/zinc/07/65/66/169076566.db2.gz GSAUGXXEFRCKNB-UHFFFAOYSA-N 1 0 209.337 2.395 10 0 BEAERO CCC[N@H+](C)CCC(=O)OCc1ccccc1 ZINC000121793057 169076570 /nfs/dbraw/zinc/07/65/70/169076570.db2.gz YJNOHRSGLQIXGZ-UHFFFAOYSA-N 1 0 235.327 2.462 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCCC2)[C@H]1CCC[NH2+]1 ZINC000032016092 183186079 /nfs/dbraw/zinc/18/60/79/183186079.db2.gz NFYYJJXCCOCBRQ-CABCVRRESA-N 1 0 231.339 2.351 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2ccc(F)cc2C1 ZINC000270544789 183189054 /nfs/dbraw/zinc/18/90/54/183189054.db2.gz SBISLWQYZAWJBQ-LSDHHAIUSA-N 1 0 249.329 2.487 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000051996328 183189256 /nfs/dbraw/zinc/18/92/56/183189256.db2.gz XCEUODVXDNSYHI-VHSXEESVSA-N 1 0 229.707 2.326 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000089164363 183195397 /nfs/dbraw/zinc/19/53/97/183195397.db2.gz CMIMLNNZWPCPDS-ZWNOBZJWSA-N 1 0 241.281 2.215 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000089168798 183195587 /nfs/dbraw/zinc/19/55/87/183195587.db2.gz UOOWVEXNWMFKON-VZLFFANISA-N 1 0 231.339 2.450 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000250842405 183195634 /nfs/dbraw/zinc/19/56/34/183195634.db2.gz GCLSPQFPYXKFSF-OWCLPIDISA-N 1 0 245.366 2.295 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368693898 183231951 /nfs/dbraw/zinc/23/19/51/183231951.db2.gz VPVLHNSBPXZRAV-NDBYEHHHSA-N 1 0 209.333 2.164 10 0 BEAERO O[C@H](C[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000032012601 183222560 /nfs/dbraw/zinc/22/25/60/183222560.db2.gz KOWYMJGIZAQEGY-LLVKDONJSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC2(CC2)CC1 ZINC000371198052 183231386 /nfs/dbraw/zinc/23/13/86/183231386.db2.gz LHGLAJFMWVWDMI-RYUDHWBXSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@H](Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000041282850 183227063 /nfs/dbraw/zinc/22/70/63/183227063.db2.gz DZOJJFQPZWWIGJ-CYBMUJFWSA-N 1 0 239.746 2.243 10 0 BEAERO O[C@H](Cc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000041282839 183227359 /nfs/dbraw/zinc/22/73/59/183227359.db2.gz WFYGTZWDSJMWPH-WCQYABFASA-N 1 0 239.746 2.243 10 0 BEAERO O[C@H](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000041282855 183227399 /nfs/dbraw/zinc/22/73/99/183227399.db2.gz ABIFDCFCWFLQHB-DGCLKSJQSA-N 1 0 239.746 2.243 10 0 BEAERO CCCN(C)[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043097186 169086101 /nfs/dbraw/zinc/08/61/01/169086101.db2.gz IOSKWPCLXFTBKM-BXUZGUMPSA-N 1 0 236.359 2.425 10 0 BEAERO O[C@H](c1c[nH]c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000036906408 183228283 /nfs/dbraw/zinc/22/82/83/183228283.db2.gz AVYSGIUTMJEUER-YGRLFVJLSA-N 1 0 230.311 2.201 10 0 BEAERO O[C@H](c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000032015115 183228702 /nfs/dbraw/zinc/22/87/02/183228702.db2.gz UAJJHEOQQHUXAG-ZYHUDNBSSA-N 1 0 225.719 2.373 10 0 BEAERO O[C@H](c1ccc2c(c1)CCCO2)C1CC[NH2+]CC1 ZINC000038058305 183229183 /nfs/dbraw/zinc/22/91/83/183229183.db2.gz RAPPYXYKJAFCND-HNNXBMFYSA-N 1 0 247.338 2.045 10 0 BEAERO O[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000041292068 183229243 /nfs/dbraw/zinc/22/92/43/183229243.db2.gz GEFSUTRYNXBZOB-GHMZBOCLSA-N 1 0 245.244 2.491 10 0 BEAERO O[C@H](c1ccc2c(c1)CCC2)[C@@H]1CCCC[NH2+]1 ZINC000074367930 183229579 /nfs/dbraw/zinc/22/95/79/183229579.db2.gz VGHUNRYHQKGSJF-LSDHHAIUSA-N 1 0 231.339 2.351 10 0 BEAERO CCCN(C)[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043097188 169088323 /nfs/dbraw/zinc/08/83/23/169088323.db2.gz IOSKWPCLXFTBKM-RISCZKNCSA-N 1 0 236.359 2.425 10 0 BEAERO O[C@H]1/C(=C/c2ccc(F)cc2)[NH+]2CCC1CC2 ZINC000012341636 183230488 /nfs/dbraw/zinc/23/04/88/183230488.db2.gz HSEHKBPZCDLUHZ-RNQWEJQRSA-N 1 0 233.286 2.253 10 0 BEAERO CCCN([C@@H](C)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000053490019 169089582 /nfs/dbraw/zinc/08/95/82/169089582.db2.gz MQJUQSCLRRRUIN-JSGCOSHPSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[N@H+](CC(=O)Nc1ccccc1N)C1CC1 ZINC000037096705 169095987 /nfs/dbraw/zinc/09/59/87/169095987.db2.gz APAQJFKWPMOEPJ-UHFFFAOYSA-N 1 0 247.342 2.082 10 0 BEAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccccc1 ZINC000082312731 183214369 /nfs/dbraw/zinc/21/43/69/183214369.db2.gz KYGXIHHOKOKQPH-JKSUJKDBSA-N 1 0 239.318 2.435 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCCc2occc2C1 ZINC000288656441 183231920 /nfs/dbraw/zinc/23/19/20/183231920.db2.gz BKWCEUFFPBAKEN-STQMWFEESA-N 1 0 235.327 2.331 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000125655068 183237904 /nfs/dbraw/zinc/23/79/04/183237904.db2.gz SZUAFLVEZHZUAG-GWCFXTLKSA-N 1 0 241.281 2.215 10 0 BEAERO O[C@H]1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000041225910 183240937 /nfs/dbraw/zinc/24/09/37/183240937.db2.gz XRZQAVLNSRKLHS-QWRGUYRKSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1CC[N@@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645447 183241047 /nfs/dbraw/zinc/24/10/47/183241047.db2.gz VYNNWWZBPKXCNX-QLFBSQMISA-N 1 0 231.339 2.389 10 0 BEAERO O[C@H]1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000041225912 183241447 /nfs/dbraw/zinc/24/14/47/183241447.db2.gz XRZQAVLNSRKLHS-WDEREUQCSA-N 1 0 211.692 2.125 10 0 BEAERO CCC[N@H+](CC)CCC(=O)Nc1ccccc1N ZINC000037094436 169120804 /nfs/dbraw/zinc/12/08/04/169120804.db2.gz ARQNKAIGGPWNEJ-UHFFFAOYSA-N 1 0 249.358 2.329 10 0 BEAERO O[C@]1(CCc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000061988131 183250966 /nfs/dbraw/zinc/25/09/66/183250966.db2.gz QLDWKLFRPDXYPP-OAHLLOKOSA-N 1 0 231.339 2.218 10 0 BEAERO CCC[N@H+](CC)C[C@@H](N)c1cccc(OC)c1 ZINC000037094991 169125956 /nfs/dbraw/zinc/12/59/56/169125956.db2.gz BVPHDRIAWATUEL-CQSZACIVSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000077204495 183232857 /nfs/dbraw/zinc/23/28/57/183232857.db2.gz VICISNXUQXRWDM-JSGCOSHPSA-N 1 0 237.318 2.466 10 0 BEAERO O[C@H]1CCC[N@H+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336144743 183234160 /nfs/dbraw/zinc/23/41/60/183234160.db2.gz RBNWSEAZJRCMJY-QWRGUYRKSA-N 1 0 233.302 2.269 10 0 BEAERO O[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)CC1 ZINC000293129587 183234615 /nfs/dbraw/zinc/23/46/15/183234615.db2.gz MSFLIBBDGWVESB-KBPBESRZSA-N 1 0 231.339 2.173 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000037164800 183235509 /nfs/dbraw/zinc/23/55/09/183235509.db2.gz IBSYYASHXSKATR-ZJUUUORDSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000037164281 183236965 /nfs/dbraw/zinc/23/69/65/183236965.db2.gz PFRHBWVCKXGDAM-STQMWFEESA-N 1 0 223.291 2.219 10 0 BEAERO CCC[NH+](CCC)[C@@H]1CCn2nccc2C1 ZINC000013672663 169151429 /nfs/dbraw/zinc/15/14/29/169151429.db2.gz LVAZPFMWSRDRRK-GFCCVEGCSA-N 1 0 221.348 2.320 10 0 BEAERO Oc1ccc(Br)cc1[C@H]1CC[NH2+]C1 ZINC000096877777 183267889 /nfs/dbraw/zinc/26/78/89/183267889.db2.gz JCUYTPSDLQEUHY-ZETCQYMHSA-N 1 0 242.116 2.232 10 0 BEAERO CCC[N@H+](CC)C[C@H](N)c1cccc(OC)c1 ZINC000037094990 169129664 /nfs/dbraw/zinc/12/96/64/169129664.db2.gz BVPHDRIAWATUEL-AWEZNQCLSA-N 1 0 236.359 2.427 10 0 BEAERO CCC[N@H+](C[C@@H](O)c1ccc(N)cc1)CC1CC1 ZINC000051324238 169137676 /nfs/dbraw/zinc/13/76/76/169137676.db2.gz IJOLJULPFXIBKG-OAHLLOKOSA-N 1 0 248.370 2.424 10 0 BEAERO Oc1ccc([C@]2(O)CC[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000033756233 183278589 /nfs/dbraw/zinc/27/85/89/183278589.db2.gz PZGMZGPBLOKKJK-HIFRSBDPSA-N 1 0 247.338 2.228 10 0 BEAERO Oc1ccc2c(c1)CC[C@@]1(CCC[NH2+]1)C2 ZINC000169315961 183280186 /nfs/dbraw/zinc/28/01/86/183280186.db2.gz BKYFTICVRYAWGL-ZDUSSCGKSA-N 1 0 203.285 2.003 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019486240 169142475 /nfs/dbraw/zinc/14/24/75/169142475.db2.gz NTRXTCBZSQCVDA-VXGBXAGGSA-N 1 0 226.364 2.023 10 0 BEAERO Oc1cc(Br)ccc1[C@@H]1CC[NH2+]C1 ZINC000096877768 183257208 /nfs/dbraw/zinc/25/72/08/183257208.db2.gz UHSIWKWQLHEJAQ-SSDOTTSWSA-N 1 0 242.116 2.232 10 0 BEAERO CCC[NH+](CCC)C[C@@H](O)c1cccnc1 ZINC000062355337 169148334 /nfs/dbraw/zinc/14/83/34/169148334.db2.gz RJMYJDCMQZHJQM-CYBMUJFWSA-N 1 0 222.332 2.237 10 0 BEAERO Oc1ccc2c(c1)[C@H]1CCC[NH2+][C@H]1CC2 ZINC000029558923 183283210 /nfs/dbraw/zinc/28/32/10/183283210.db2.gz IETCXPRUYLQUEH-YPMHNXCESA-N 1 0 203.285 2.174 10 0 BEAERO CCCN(CC[NH3+])c1ccc2ccccc2n1 ZINC000104306836 169158303 /nfs/dbraw/zinc/15/83/03/169158303.db2.gz LTTSKILFRGOWKG-UHFFFAOYSA-N 1 0 229.327 2.410 10 0 BEAERO CCC[N@H+](CCN(C)C)[C@H]1CCCCCC1=O ZINC000045664210 169158589 /nfs/dbraw/zinc/15/85/89/169158589.db2.gz IIAAQNSEWHTJPI-ZDUSSCGKSA-N 1 0 240.391 2.162 10 0 BEAERO Oc1cccc(C[C@H]2CCCCC[NH2+]2)c1 ZINC000076639824 183293330 /nfs/dbraw/zinc/29/33/30/183293330.db2.gz XINOKMHWZHILEP-GFCCVEGCSA-N 1 0 205.301 2.467 10 0 BEAERO Oc1cccc2c1CC[C@H]1[NH2+]CCC[C@@H]21 ZINC000012355897 183295955 /nfs/dbraw/zinc/29/59/55/183295955.db2.gz RWDHALOKAOEZPC-CMPLNLGQSA-N 1 0 203.285 2.174 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCO1 ZINC000036852172 183297404 /nfs/dbraw/zinc/29/74/04/183297404.db2.gz HOMOBSPFRSPMOS-GXFFZTMASA-N 1 0 233.311 2.148 10 0 BEAERO CCCN(c1ncccc1C)[C@@H]1CCC[NH2+]C1 ZINC000104342214 169183346 /nfs/dbraw/zinc/18/33/46/169183346.db2.gz IOXUZGKMIJLTQK-CYBMUJFWSA-N 1 0 233.359 2.358 10 0 BEAERO CCC[NH+]1CC(c2cccc3n[nH]cc32)C1 ZINC000013987049 169185538 /nfs/dbraw/zinc/18/55/38/169185538.db2.gz UIGHCUQSQGCTBZ-UHFFFAOYSA-N 1 0 215.300 2.372 10 0 BEAERO CCC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195297366 169205313 /nfs/dbraw/zinc/20/53/13/169205313.db2.gz BQJDAAQJCZJNAG-HNNXBMFYSA-N 1 0 247.386 2.245 10 0 BEAERO CCC[NH+]1CCC(N)(c2nc(C)cs2)CC1 ZINC000041059736 169186951 /nfs/dbraw/zinc/18/69/51/169186951.db2.gz MBALNHLDFFQVIS-UHFFFAOYSA-N 1 0 239.388 2.111 10 0 BEAERO c1c2c(cc3c1OCCO3)[C@@H](CC1CC1)[NH2+]CC2 ZINC000083702139 183322313 /nfs/dbraw/zinc/32/23/13/183322313.db2.gz PVZBIHRKSYJMCI-CYBMUJFWSA-N 1 0 245.322 2.445 10 0 BEAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cn[nH]c2)C1 ZINC000035763542 169198065 /nfs/dbraw/zinc/19/80/65/169198065.db2.gz XAGADUZVINHNIT-NEPJUHHUSA-N 1 0 236.363 2.332 10 0 BEAERO CCCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000073652239 169198099 /nfs/dbraw/zinc/19/80/99/169198099.db2.gz SJIWQDCLTZKKGZ-ZDUSSCGKSA-N 1 0 210.365 2.347 10 0 BEAERO CCC[NH+]1CCN([C@H](C)c2ccc(N)cc2)CC1 ZINC000048607929 169203295 /nfs/dbraw/zinc/20/32/95/169203295.db2.gz WWFBOGIMCFGXPN-CYBMUJFWSA-N 1 0 247.386 2.357 10 0 BEAERO CCCN1CCO[C@@H](c2cccc3n[nH]cc32)C1 ZINC000089196296 169204766 /nfs/dbraw/zinc/20/47/66/169204766.db2.gz BNGQBVLWWLBHNB-CQSZACIVSA-N 1 0 245.326 2.346 10 0 BEAERO CCCN(Cc1ccccc1C)C(=O)CC[NH3+] ZINC000033465234 169178017 /nfs/dbraw/zinc/17/80/17/169178017.db2.gz LNOGQBSMYJVKOM-UHFFFAOYSA-N 1 0 234.343 2.082 10 0 BEAERO CCC[N@@H+](Cc1cccc(OC)c1)C[C@@H](C)O ZINC000036100243 169178067 /nfs/dbraw/zinc/17/80/67/169178067.db2.gz QKTVWZMOEHGZQE-GFCCVEGCSA-N 1 0 237.343 2.288 10 0 BEAERO c1cc(CN(C2CC2)[C@H]2CC[NH2+]C2)cs1 ZINC000051783535 183337613 /nfs/dbraw/zinc/33/76/13/183337613.db2.gz XGEFLQOKDHVCEK-LBPRGKRZSA-N 1 0 222.357 2.074 10 0 BEAERO CCCNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCC ZINC000336758668 169229272 /nfs/dbraw/zinc/22/92/72/169229272.db2.gz ILIIUBHDSOFCMF-RYUDHWBXSA-N 1 0 226.364 2.071 10 0 BEAERO CCC[N@@H+]1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000328454648 169209009 /nfs/dbraw/zinc/20/90/09/169209009.db2.gz DZWRJTQPYQPHBB-AWEZNQCLSA-N 1 0 237.318 2.215 10 0 BEAERO CCC[N@@H+]1C[C@@H](C)NC[C@@H]1Cc1ccccc1 ZINC000062615702 169210280 /nfs/dbraw/zinc/21/02/80/169210280.db2.gz UJQQSFKNOXNBGO-HIFRSBDPSA-N 1 0 232.371 2.301 10 0 BEAERO c1cc(COC[C@H]2CCC[NH2+]C2)cs1 ZINC000051815507 183354819 /nfs/dbraw/zinc/35/48/19/183354819.db2.gz ICRGEXPMUDNWLA-JTQLQIEISA-N 1 0 211.330 2.264 10 0 BEAERO c1cn(-c2cccc(NC3CC[NH2+]CC3)c2)cn1 ZINC000038040941 183356681 /nfs/dbraw/zinc/35/66/81/183356681.db2.gz HDMNIUPPMBYRGT-UHFFFAOYSA-N 1 0 242.326 2.036 10 0 BEAERO c1cc(CCCC2CC[NH2+]CC2)ccn1 ZINC000090411617 183335643 /nfs/dbraw/zinc/33/56/43/183335643.db2.gz NYNPAPXQLKVTTC-UHFFFAOYSA-N 1 0 204.317 2.404 10 0 BEAERO CCC[NH2+]C1CCN(CCc2ccco2)CC1 ZINC000042590238 169255410 /nfs/dbraw/zinc/25/54/10/169255410.db2.gz GQAKHRUOGBFUNX-UHFFFAOYSA-N 1 0 236.359 2.286 10 0 BEAERO CCC[NH2+]CC(=O)Nc1ccccc1Cl ZINC000020056578 169255907 /nfs/dbraw/zinc/25/59/07/169255907.db2.gz YLNMPEBALPCAMG-UHFFFAOYSA-N 1 0 226.707 2.278 10 0 BEAERO c1cc2c(c([C@H]3CCC[NH2+]C3)c1)OCCC2 ZINC000082977059 183366245 /nfs/dbraw/zinc/36/62/45/183366245.db2.gz CVSXAQBBBVXPAQ-LBPRGKRZSA-N 1 0 217.312 2.479 10 0 BEAERO c1cc2c(c([C@H]3CCCC[NH2+]3)c1)OCC2 ZINC000082925815 183366536 /nfs/dbraw/zinc/36/65/36/183366536.db2.gz VFFZSEJMRKCILF-GFCCVEGCSA-N 1 0 203.285 2.436 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000072417545 169257298 /nfs/dbraw/zinc/25/72/98/169257298.db2.gz ITCDLXBPKLPDFT-UHFFFAOYSA-N 1 0 224.279 2.154 10 0 BEAERO CCC[NH2+]CCN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044381083 169258267 /nfs/dbraw/zinc/25/82/67/169258267.db2.gz XJJYIGYEJPSVBJ-UONOGXRCSA-N 1 0 224.392 2.498 10 0 BEAERO CCC[NH2+]CCOc1cnc2ccccc2n1 ZINC000052018283 169260215 /nfs/dbraw/zinc/26/02/15/169260215.db2.gz FMHJOAKFJIATDO-UHFFFAOYSA-N 1 0 231.299 2.008 10 0 BEAERO CCC[NH2+]CCOc1c(OC)cccc1OC ZINC000020525027 169260275 /nfs/dbraw/zinc/26/02/75/169260275.db2.gz KCTKTUOGYTWFDF-UHFFFAOYSA-N 1 0 239.315 2.082 10 0 BEAERO CCC[NH2+]CC[C@@H](C)N(C)Cc1ccccn1 ZINC000052478925 169260696 /nfs/dbraw/zinc/26/06/96/169260696.db2.gz HEEAPXTWIRVIJS-CYBMUJFWSA-N 1 0 235.375 2.292 10 0 BEAERO c1cc2c(cc1C[C@H]1CCCC[NH2+]1)OCCO2 ZINC000011630888 183369780 /nfs/dbraw/zinc/36/97/80/183369780.db2.gz CMUDDKJNTSKVMP-GFCCVEGCSA-N 1 0 233.311 2.142 10 0 BEAERO CCC[NH2+]CC[C@@H](O)c1ccc(F)c(F)c1 ZINC000049821373 169261337 /nfs/dbraw/zinc/26/13/37/169261337.db2.gz LSOBKVQVRTVGCP-GFCCVEGCSA-N 1 0 229.270 2.388 10 0 BEAERO c1cc(OC[C@@H]2CCC[NH2+]2)cc2c1CCC2 ZINC000020221600 183370165 /nfs/dbraw/zinc/37/01/65/183370165.db2.gz AMLNQZLUXBCRCB-ZDUSSCGKSA-N 1 0 217.312 2.306 10 0 BEAERO CCC[NH2+]C[C@@H](CC)N1CCC(OCC)CC1 ZINC000052483951 169262193 /nfs/dbraw/zinc/26/21/93/169262193.db2.gz QHNJHYGWWAGBSP-CYBMUJFWSA-N 1 0 242.407 2.266 10 0 BEAERO CCC[NH2+]C[C@@H](C)Oc1cccc(OC)c1 ZINC000052654970 169262364 /nfs/dbraw/zinc/26/23/64/169262364.db2.gz LCICNLWQLQKPQN-LLVKDONJSA-N 1 0 223.316 2.462 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc2c(c1)CCC2 ZINC000049817377 169262440 /nfs/dbraw/zinc/26/24/40/169262440.db2.gz FYOMARHJSFMRML-CQSZACIVSA-N 1 0 219.328 2.208 10 0 BEAERO CCC[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000033466178 169262546 /nfs/dbraw/zinc/26/25/46/169262546.db2.gz WZQUJZCMXUZMMW-CYBMUJFWSA-N 1 0 237.343 2.043 10 0 BEAERO CCCNC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000020256729 169240279 /nfs/dbraw/zinc/24/02/79/169240279.db2.gz IJSUZXADLMORLY-SECBINFHSA-N 1 0 221.304 2.238 10 0 BEAERO c1ccc(-c2ccc([C@H]3C[NH2+]CCO3)nc2)cc1 ZINC000072384521 183379649 /nfs/dbraw/zinc/37/96/49/183379649.db2.gz RMQYGPXFRYANKX-OAHLLOKOSA-N 1 0 240.306 2.410 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1cc(C)ccc1OC ZINC000037882809 169262661 /nfs/dbraw/zinc/26/26/61/169262661.db2.gz KIJFGHDHGYPFHB-GFCCVEGCSA-N 1 0 223.316 2.037 10 0 BEAERO c1ccc(-c2nnc(C[NH2+]C3CC3)s2)cc1 ZINC000082546164 183383729 /nfs/dbraw/zinc/38/37/29/183383729.db2.gz BXEBMIDEAHDIDX-UHFFFAOYSA-N 1 0 231.324 2.457 10 0 BEAERO CCCNC(=O)[C@H](CC[NH3+])c1ccc(C)cc1C ZINC000076634083 169248790 /nfs/dbraw/zinc/24/87/90/169248790.db2.gz RDCZDMNJLJSCHB-CQSZACIVSA-N 1 0 248.370 2.262 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCN1Cc1ccncc1 ZINC000053648629 169262815 /nfs/dbraw/zinc/26/28/15/169262815.db2.gz ICTCFNADBKEMLV-AWEZNQCLSA-N 1 0 233.359 2.046 10 0 BEAERO c1cc(SCC[NH2+]C(C2CC2)C2CC2)ncn1 ZINC000104188663 183361333 /nfs/dbraw/zinc/36/13/33/183361333.db2.gz IEOUYJRCVVHVGE-UHFFFAOYSA-N 1 0 249.383 2.347 10 0 BEAERO c1cnn(-c2cccc([C@H]3CCC[NH2+]3)c2)c1 ZINC000082966371 183362677 /nfs/dbraw/zinc/36/26/77/183362677.db2.gz ZJLFBWWLRUVFQM-CYBMUJFWSA-N 1 0 213.284 2.297 10 0 BEAERO CCC[NH2+][C@H](C)CN(C)[C@@H](C)CCC ZINC000044472065 169285875 /nfs/dbraw/zinc/28/58/75/169285875.db2.gz DIKVDKGMOOJJQL-NEPJUHHUSA-N 1 0 200.370 2.495 10 0 BEAERO CCSCC[NH2+]C[C@H]1CCCS1 ZINC000129036000 170636943 /nfs/dbraw/zinc/63/69/43/170636943.db2.gz ZZSXOPAHRWGFLH-SECBINFHSA-N 1 0 205.392 2.225 10 0 BEAERO CCC[NH2+][C@H](C)c1csc(CCOC)n1 ZINC000070841786 169288456 /nfs/dbraw/zinc/28/84/56/169288456.db2.gz PCXSHPQLXXKFGO-SECBINFHSA-N 1 0 228.361 2.393 10 0 BEAERO CCC[NH2+][C@H](CCOCC)Cc1ccncc1 ZINC000060709797 169289175 /nfs/dbraw/zinc/28/91/75/169289175.db2.gz VTLZCTCKZRRVKC-CQSZACIVSA-N 1 0 236.359 2.419 10 0 BEAERO CCC[NH2+][C@H](CCOC)Cc1ccncc1 ZINC000060709769 169289245 /nfs/dbraw/zinc/28/92/45/169289245.db2.gz CZBSEZAZFCDCLX-CYBMUJFWSA-N 1 0 222.332 2.029 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc(OC)c(Cl)c1 ZINC000049831568 169264419 /nfs/dbraw/zinc/26/44/19/169264419.db2.gz HPLVMYNBTRZZAK-NSHDSACASA-N 1 0 243.734 2.382 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc2c(c1)CCC2 ZINC000049817376 169264663 /nfs/dbraw/zinc/26/46/63/169264663.db2.gz FYOMARHJSFMRML-AWEZNQCLSA-N 1 0 219.328 2.208 10 0 BEAERO CCC[NH2+]Cc1c(C)nc(C2CC2)nc1C ZINC000054854217 169265654 /nfs/dbraw/zinc/26/56/54/169265654.db2.gz PTNMDGWALGOECV-UHFFFAOYSA-N 1 0 219.332 2.470 10 0 BEAERO CCC[NH2+]Cc1cc(-n2ccnc2C)ccn1 ZINC000051491053 169265718 /nfs/dbraw/zinc/26/57/18/169265718.db2.gz DGUDYZYIKOYKGS-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO CCC[NH2+]Cc1cc(COCCOC)oc1C ZINC000052628189 169266035 /nfs/dbraw/zinc/26/60/35/169266035.db2.gz RDXPDHZZNROJPZ-UHFFFAOYSA-N 1 0 241.331 2.251 10 0 BEAERO c1c[nH]c(C[NH2+]CCc2ccccc2)c1 ZINC000014959045 183393636 /nfs/dbraw/zinc/39/36/36/183393636.db2.gz HKFLTDDIRURSLM-UHFFFAOYSA-N 1 0 200.285 2.347 10 0 in-vivo BEAERO CCC[NH2+]Cc1csc(N2CCCC2)n1 ZINC000070681748 169268715 /nfs/dbraw/zinc/26/87/15/169268715.db2.gz BQLZUAPHKAMPRV-UHFFFAOYSA-N 1 0 225.361 2.243 10 0 BEAERO CCC[NH2+]Cc1nn(CC)nc1-c1ccccc1 ZINC000045944833 169269602 /nfs/dbraw/zinc/26/96/02/169269602.db2.gz RPJTWOGXUKGQTQ-UHFFFAOYSA-N 1 0 244.342 2.465 10 0 BEAERO CCC[NH2+]Cc1cnc(OCC)s1 ZINC000045205446 169269832 /nfs/dbraw/zinc/26/98/32/169269832.db2.gz QXBGOEQYCAXORH-UHFFFAOYSA-N 1 0 200.307 2.041 10 0 BEAERO CCC[NH2+]Cc1nnc(-c2ccc(F)cc2)o1 ZINC000047948576 169269932 /nfs/dbraw/zinc/26/99/32/169269932.db2.gz NAQGECOOEZGINI-UHFFFAOYSA-N 1 0 235.262 2.375 10 0 BEAERO c1ccc(CN2CCC[NH2+]CC23CC3)cc1 ZINC000097758391 183398811 /nfs/dbraw/zinc/39/88/11/183398811.db2.gz OBTVORUNECWQDF-UHFFFAOYSA-N 1 0 216.328 2.015 10 0 BEAERO CCC[NH2+][C@@H](C(N)=O)c1csc2ccccc21 ZINC000054464963 169273447 /nfs/dbraw/zinc/27/34/47/169273447.db2.gz LIBCXLOTCAGNML-GFCCVEGCSA-N 1 0 248.351 2.427 10 0 BEAERO c1ccc(CN2CCC[C@]3(CCC[NH2+]C3)C2)nc1 ZINC000031994643 183399658 /nfs/dbraw/zinc/39/96/58/183399658.db2.gz OEGGOXAWCOEGIB-HNNXBMFYSA-N 1 0 245.370 2.047 10 0 BEAERO CCC[NH2+][C@@H](C)c1cnc(N2CCCC2)nc1C ZINC000054963096 169276841 /nfs/dbraw/zinc/27/68/41/169276841.db2.gz BEMBITYQPDADEU-NSHDSACASA-N 1 0 248.374 2.446 10 0 BEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H]1COCCO1 ZINC000055300441 169278925 /nfs/dbraw/zinc/27/89/25/169278925.db2.gz ZBRJRJFEKGXEFH-CABCVRRESA-N 1 0 249.354 2.451 10 0 BEAERO CCC[NH2+][C@@H](c1cncnc1)c1cccc(C)n1 ZINC000104163687 169280804 /nfs/dbraw/zinc/28/08/04/169280804.db2.gz NOFZIASNFLLMSH-AWEZNQCLSA-N 1 0 242.326 2.269 10 0 BEAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1cnn(C)c1 ZINC000060715811 169282191 /nfs/dbraw/zinc/28/21/91/169282191.db2.gz UBTGTXUQVXRFFH-QWHCGFSZSA-N 1 0 221.348 2.446 10 0 BEAERO CCC[NH2+][C@@H]1CCN(CCOc2ccccc2)C1 ZINC000042896738 169282351 /nfs/dbraw/zinc/28/23/51/169282351.db2.gz MWRQCEVPGDQTKI-CQSZACIVSA-N 1 0 248.370 2.139 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647799 169283175 /nfs/dbraw/zinc/28/31/75/169283175.db2.gz YEONQCPPXLGMSY-CQSZACIVSA-N 1 0 246.354 2.408 10 0 BEAERO c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000101387245 183421896 /nfs/dbraw/zinc/42/18/96/183421896.db2.gz HQWOOKZKFBMBCD-PTEHBNRSSA-N 1 0 203.285 2.348 10 0 BEAERO CCCOCCOCc1occc1C[NH2+]CC ZINC000111111240 169309624 /nfs/dbraw/zinc/30/96/24/169309624.db2.gz AGONUDMSSSDJNE-UHFFFAOYSA-N 1 0 241.331 2.332 10 0 BEAERO CCCO[C@@H]1CC[C@H](C(F)(F)F)C[C@@H]1[NH3+] ZINC000020286046 169311520 /nfs/dbraw/zinc/31/15/20/169311520.db2.gz DPMIUWYTUBBRNQ-XHNCKOQMSA-N 1 0 225.254 2.471 10 0 BEAERO CCCO[C@H]1CCC[N@H+](CC(=O)C(C)(C)C)C1 ZINC000042423751 169311548 /nfs/dbraw/zinc/31/15/48/169311548.db2.gz DXLVHTUIBLGLHU-LBPRGKRZSA-N 1 0 241.375 2.493 10 0 BEAERO CCCO[C@@H]1CCCN([C@H](C[NH3+])CC(C)C)C1 ZINC000042421494 169312459 /nfs/dbraw/zinc/31/24/59/169312459.db2.gz KBTIYLPMRFXVON-UONOGXRCSA-N 1 0 242.407 2.251 10 0 BEAERO CCCOc1ccc(-c2c[nH]c(C[NH3+])n2)cc1 ZINC000036870924 169316177 /nfs/dbraw/zinc/31/61/77/169316177.db2.gz LVTBVFGESSGPNQ-UHFFFAOYSA-N 1 0 231.299 2.324 10 0 BEAERO CCC[NH2+][C@H]1CCN([C@H](C)C(CC)CC)C1=O ZINC000070976971 169291363 /nfs/dbraw/zinc/29/13/63/169291363.db2.gz BMPGZGQTNLVVLJ-YPMHNXCESA-N 1 0 240.391 2.412 10 0 BEAERO CCC[NH2+][C@H]1CCC[C@@H]1c1cncnc1 ZINC000060716524 169291601 /nfs/dbraw/zinc/29/16/01/169291601.db2.gz XHZWMQIESYOYDM-NEPJUHHUSA-N 1 0 205.305 2.112 10 0 BEAERO CCC[NH2+][C@H]1CCC[C@@H]1OC[C@@H]1CCCCO1 ZINC000044065682 169291719 /nfs/dbraw/zinc/29/17/19/169291719.db2.gz YYKXGECYCYMDTK-IHRRRGAJSA-N 1 0 241.375 2.493 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccc(CC)cc2)C1=O ZINC000049647694 169291879 /nfs/dbraw/zinc/29/18/79/169291879.db2.gz KRAIHBVEVFLAIA-AWEZNQCLSA-N 1 0 246.354 2.354 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2cccnc2)[C@H](C)C1 ZINC000049712462 169291991 /nfs/dbraw/zinc/29/19/91/169291991.db2.gz WUHQVKCKXUZMFB-HIFRSBDPSA-N 1 0 247.386 2.434 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2ccccn2)[C@H](C)C1 ZINC000049712264 169292037 /nfs/dbraw/zinc/29/20/37/169292037.db2.gz WAHXDYWFYRURCX-KGLIPLIRSA-N 1 0 247.386 2.434 10 0 BEAERO CCC[NH2+][C@H]1COc2c1ccc(F)c2F ZINC000062611351 169292264 /nfs/dbraw/zinc/29/22/64/169292264.db2.gz VRULUSHPKYFCQQ-VIFPVBQESA-N 1 0 213.227 2.398 10 0 BEAERO CCC[NH2+][C@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974197 169292982 /nfs/dbraw/zinc/29/29/82/169292982.db2.gz MCFCTBBRHDFZAV-MEDUHNTESA-N 1 0 241.331 2.378 10 0 BEAERO CCCOc1ccc(C(=O)CCC[NH3+])cc1 ZINC000074367650 169317006 /nfs/dbraw/zinc/31/70/06/169317006.db2.gz XAYGSHZQAIVOCN-UHFFFAOYSA-N 1 0 221.300 2.397 10 0 BEAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCOCC1 ZINC000036319308 183452602 /nfs/dbraw/zinc/45/26/02/183452602.db2.gz GKFHKGASUDDILT-ZDUSSCGKSA-N 1 0 233.311 2.279 10 0 BEAERO CCC[C@@H](C(=O)N1Cc2ccccc2C1)[NH+](C)C ZINC000153093265 169343771 /nfs/dbraw/zinc/34/37/71/169343771.db2.gz NKUQTRPOJMDUNC-AWEZNQCLSA-N 1 0 246.354 2.259 10 0 BEAERO CCCOc1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000054076969 169319873 /nfs/dbraw/zinc/31/98/73/169319873.db2.gz HBKMJYNQOKXGNU-SNVBAGLBSA-N 1 0 236.315 2.022 10 0 BEAERO c1ccc2nc(SC[C@@H]3CC[NH2+]C3)cnc2c1 ZINC000095092722 183459822 /nfs/dbraw/zinc/45/98/22/183459822.db2.gz AEOLXSNXQLDOKG-SNVBAGLBSA-N 1 0 245.351 2.331 10 0 BEAERO c1ccc2oc(NCCC[NH2+]C3CC3)nc2c1 ZINC000038008245 183461346 /nfs/dbraw/zinc/46/13/46/183461346.db2.gz ZLQZPRYPJLJFPJ-UHFFFAOYSA-N 1 0 231.299 2.382 10 0 BEAERO CCCOc1ccc([C@H](C[NH3+])N(C)C)cc1 ZINC000019796315 169322617 /nfs/dbraw/zinc/32/26/17/169322617.db2.gz QSULTARRRMULEX-ZDUSSCGKSA-N 1 0 222.332 2.037 10 0 BEAERO CCCOc1ccc2c(c1)[C@@H]([NH3+])[C@H](C)O2 ZINC000043634438 169323370 /nfs/dbraw/zinc/32/33/70/169323370.db2.gz XEPCSDIGGSISEX-UFBFGSQYSA-N 1 0 207.273 2.256 10 0 BEAERO CCCOc1ccccc1OCCC(N)=[NH2+] ZINC000019802262 169327533 /nfs/dbraw/zinc/32/75/33/169327533.db2.gz WMDXOCZHHYGZME-UHFFFAOYSA-N 1 0 222.288 2.180 10 0 BEAERO CCCOc1ccccc1[C@@](C)(O)C[NH2+]CC ZINC000033466254 169328452 /nfs/dbraw/zinc/32/84/52/169328452.db2.gz PVLOGBNEPJVTGF-AWEZNQCLSA-N 1 0 237.343 2.292 10 0 BEAERO c1ccc2c(c1)NC[C@H]2C1CC[NH2+]CC1 ZINC000091301990 183451265 /nfs/dbraw/zinc/45/12/65/183451265.db2.gz DBFAOEHZZLGRFD-LBPRGKRZSA-N 1 0 202.301 2.195 10 0 BEAERO CCC[C@@H](C)N(C)c1nc2ccccn2c1C[NH3+] ZINC000036791334 169366136 /nfs/dbraw/zinc/36/61/36/169366136.db2.gz WZNVSCWSAYKNBJ-LLVKDONJSA-N 1 0 246.358 2.418 10 0 BEAERO CCC[C@@H](C)N(C)c1ncccc1C[NH2+]C ZINC000051446297 169366168 /nfs/dbraw/zinc/36/61/68/169366168.db2.gz BMVLVMAXFLODLE-LLVKDONJSA-N 1 0 221.348 2.426 10 0 BEAERO CCC[C@@H](C)N(C)[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053491916 169366710 /nfs/dbraw/zinc/36/67/10/169366710.db2.gz WDIFYTULEUFSLS-RDBSUJKOSA-N 1 0 242.407 2.264 10 0 BEAERO CCC[C@@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000020128268 169369438 /nfs/dbraw/zinc/36/94/38/169369438.db2.gz AVNMRFBFEVMIAR-LLVKDONJSA-N 1 0 232.331 2.050 10 0 BEAERO CCC[C@@H](C(=O)NC[C@H]1CC=CCC1)[NH+](C)C ZINC000120644353 169345518 /nfs/dbraw/zinc/34/55/18/169345518.db2.gz LGBMFVNTXRWWHD-STQMWFEESA-N 1 0 238.375 2.189 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@H]1CCCN1CC ZINC000020091978 169359793 /nfs/dbraw/zinc/35/97/93/169359793.db2.gz VLHUPRHZIXLLKF-CHWSQXEVSA-N 1 0 212.381 2.497 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336736891 169359963 /nfs/dbraw/zinc/35/99/63/169359963.db2.gz NCDIVJMVRXVUAT-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H]1CCc2nccn2C1 ZINC000310019156 169360279 /nfs/dbraw/zinc/36/02/79/169360279.db2.gz MJCLAZKNDWXOOD-VXGBXAGGSA-N 1 0 221.348 2.224 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044685381 169360345 /nfs/dbraw/zinc/36/03/45/169360345.db2.gz VJPJBAWQXWHFKB-VXGBXAGGSA-N 1 0 210.365 2.249 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H](C)Cn1ccnc1 ZINC000037156841 169361054 /nfs/dbraw/zinc/36/10/54/169361054.db2.gz LMELOVQSELIKJT-VXGBXAGGSA-N 1 0 209.337 2.297 10 0 BEAERO CCC[C@@H](C)Nc1ncccc1C(N)=S ZINC000019430902 169372553 /nfs/dbraw/zinc/37/25/53/169372553.db2.gz UKAGKCBMWJZPCX-MRVPVSSYSA-N 1 0 223.345 2.316 10 0 BEAERO CCC[C@@H](CC)[NH2+][C@@H]1CCc2nccn2C1 ZINC000310006146 169380349 /nfs/dbraw/zinc/38/03/49/169380349.db2.gz GRPWMMNFAWEFHW-VXGBXAGGSA-N 1 0 221.348 2.366 10 0 BEAERO CCC[C@@H]([NH3+])Cc1nc(-c2ncccc2C)no1 ZINC000104059161 169393231 /nfs/dbraw/zinc/39/32/31/169393231.db2.gz HKDSLTOYDSEFDN-SNVBAGLBSA-N 1 0 246.314 2.110 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(C)c(C(=O)OCC)s1 ZINC000083370715 169393783 /nfs/dbraw/zinc/39/37/83/169393783.db2.gz OWVWWOMFVVLOGV-MRVPVSSYSA-N 1 0 242.344 2.428 10 0 BEAERO CCC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000035222713 169396915 /nfs/dbraw/zinc/39/69/15/169396915.db2.gz RGYNSPVFCDRGHI-KGLIPLIRSA-N 1 0 246.354 2.396 10 0 BEAERO c1coc(-c2noc(CC[C@H]3CCCC[NH2+]3)n2)c1 ZINC000054445240 183504921 /nfs/dbraw/zinc/50/49/21/183504921.db2.gz UCZYSDXWOMNJMS-SNVBAGLBSA-N 1 0 247.298 2.404 10 0 BEAERO c1coc(-c2c[nH]c(CC3CC[NH2+]CC3)n2)c1 ZINC000038076120 183505289 /nfs/dbraw/zinc/50/52/89/183505289.db2.gz FBXXQZNKVQFIST-UHFFFAOYSA-N 1 0 231.299 2.212 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000336737732 169419453 /nfs/dbraw/zinc/41/94/53/169419453.db2.gz NTXPQLQFAVZSGM-BBBLOLIVSA-N 1 0 239.281 2.468 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCOCCOC ZINC000336735334 169418275 /nfs/dbraw/zinc/41/82/75/169418275.db2.gz LRNKVXOFANYSQZ-OLZOCXBDSA-N 1 0 229.364 2.208 10 0 BEAERO c1nnc([C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1C1CC1 ZINC000054498396 183553136 /nfs/dbraw/zinc/55/31/36/183553136.db2.gz CGNYHARWKLCVGY-ADEWGFFLSA-N 1 0 232.331 2.206 10 0 BEAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCNC1=O ZINC000309873606 169495513 /nfs/dbraw/zinc/49/55/13/169495513.db2.gz RQLAGLPCVQJGOS-SDDRHHMPSA-N 1 0 226.364 2.069 10 0 BEAERO CC(C)(C)OC(=O)NCCC[C@H]1CCCC[NH2+]1 ZINC000096987005 166660662 /nfs/dbraw/zinc/66/06/62/166660662.db2.gz IZZIMEZFNPROHM-LLVKDONJSA-N 1 0 242.363 2.433 10 0 BEAERO CC[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)CCN1 ZINC000049661948 171014232 /nfs/dbraw/zinc/01/42/32/171014232.db2.gz PBEMYKJRZWAYEA-QWHCGFSZSA-N 1 0 212.381 2.495 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]C1CCC(C(=O)OC)CC1 ZINC000336723739 169538919 /nfs/dbraw/zinc/53/89/19/169538919.db2.gz YWBITTXFTOOILP-PYNQCMFNSA-N 1 0 239.359 2.496 10 0 BEAERO CCC[C@](C)([NH3+])c1nncn1C1CCCC1 ZINC000054526336 169548679 /nfs/dbraw/zinc/54/86/79/169548679.db2.gz LTNVYOQWJMTUMW-LBPRGKRZSA-N 1 0 222.336 2.367 10 0 BEAERO CCCc1ccc(OCC[NH2+]CCOC)cc1 ZINC000053590283 169572386 /nfs/dbraw/zinc/57/23/86/169572386.db2.gz ZVOXXWGIEOEOCD-UHFFFAOYSA-N 1 0 237.343 2.254 10 0 BEAERO CCCn1c2cc(F)ccc2nc1CC[NH3+] ZINC000052124857 169612698 /nfs/dbraw/zinc/61/26/98/169612698.db2.gz HGRVJZDGIJYVGW-UHFFFAOYSA-N 1 0 221.279 2.087 10 0 BEAERO CCCn1nc(CC[NH3+])nc1-c1ccc(C)cc1 ZINC000049455088 169625239 /nfs/dbraw/zinc/62/52/39/169625239.db2.gz LHIGXUGPHXEIBI-UHFFFAOYSA-N 1 0 244.342 2.165 10 0 BEAERO CC(C)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107530381 166706671 /nfs/dbraw/zinc/70/66/71/166706671.db2.gz SGDNTIPMOCAOTB-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO CC[C@](C)(O)C[NH2+]C/C=C/c1ccccc1OC ZINC000111384895 383857574 /nfs/dbraw/zinc/85/75/74/383857574.db2.gz MNCTWRVVYGKLQW-HEWZJLJBSA-N 1 0 249.354 2.459 10 0 BEAERO C[C@](N)(C[NH+]1CCCCC1)c1ccccc1 ZINC000035616108 383866816 /nfs/dbraw/zinc/86/68/16/383866816.db2.gz LGIZSDXGWLUMSW-AWEZNQCLSA-N 1 0 218.344 2.346 10 0 BEAERO CC(=O)c1cccc2c(C[NH+](C)C)c[nH]c21 ZINC000035635679 383867329 /nfs/dbraw/zinc/86/73/29/383867329.db2.gz PXMCMWMCBGGDAT-UHFFFAOYSA-N 1 0 216.284 2.432 10 0 BEAERO C[NH+](C)C[C@@]1(F)CCN(Cc2ccccc2)C1 ZINC000575622611 383876984 /nfs/dbraw/zinc/87/69/84/383876984.db2.gz XSUCJUFRUZLKAZ-AWEZNQCLSA-N 1 0 236.334 2.162 10 0 BEAERO C[C@H]([NH2+]CC(=O)N1CCCC1)c1cccs1 ZINC000035138560 383834200 /nfs/dbraw/zinc/83/42/00/383834200.db2.gz IQAMYSIHGVMZMC-JTQLQIEISA-N 1 0 238.356 2.021 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000348160135 383913080 /nfs/dbraw/zinc/91/30/80/383913080.db2.gz KYFMGGLIJGEMNS-DGAVXFQQSA-N 1 0 223.360 2.482 10 0 BEAERO Clc1ccc2nc(C[NH2+]CC3CC3)cn2c1 ZINC000112340551 383919597 /nfs/dbraw/zinc/91/95/97/383919597.db2.gz ZYLVYMRQVRROEY-UHFFFAOYSA-N 1 0 235.718 2.487 10 0 BEAERO [NH3+][C@H](COC(F)(F)F)c1ccccc1F ZINC000068576539 383999249 /nfs/dbraw/zinc/99/92/49/383999249.db2.gz YQQFVVLWMGMLDD-MRVPVSSYSA-N 1 0 223.169 2.362 10 0 BEAERO CCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089160139 383939082 /nfs/dbraw/zinc/93/90/82/383939082.db2.gz RETPRLJPCCWJIM-GJZGRUSLSA-N 1 0 233.355 2.500 10 0 BEAERO COCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089161637 383939861 /nfs/dbraw/zinc/93/98/61/383939861.db2.gz HCLBDHWUVZSSSY-GJZGRUSLSA-N 1 0 249.354 2.084 10 0 BEAERO Clc1ccc(C[NH2+]Cc2cncnc2)cc1 ZINC000054767192 383958004 /nfs/dbraw/zinc/95/80/04/383958004.db2.gz DWUPXCDYFYPOSI-UHFFFAOYSA-N 1 0 233.702 2.420 10 0 BEAERO c1ccc2c(c1)CC[C@H]([NH2+]Cc1cncnc1)C2 ZINC000054768221 383975662 /nfs/dbraw/zinc/97/56/62/383975662.db2.gz DTQJTPYETABJCT-HNNXBMFYSA-N 1 0 239.322 2.124 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cn(C(C)C)nn1 ZINC000309443336 384022282 /nfs/dbraw/zinc/02/22/82/384022282.db2.gz ZZTMXANBMZXFAP-ZYHUDNBSSA-N 1 0 222.336 2.137 10 0 BEAERO N[C@@]1(c2ccccc2)CC[C@H]2CCC[N@@H+]2C1 ZINC000091690795 384014921 /nfs/dbraw/zinc/01/49/21/384014921.db2.gz LXQAPKLETBYZPR-KGLIPLIRSA-N 1 0 216.328 2.099 10 0 BEAERO [NH3+]CCc1ccc(C(=O)c2ccco2)s1 ZINC000090397695 384044100 /nfs/dbraw/zinc/04/41/00/384044100.db2.gz LWQQAGLDFGWYEN-UHFFFAOYSA-N 1 0 221.281 2.073 10 0 BEAERO Cn1ncc(Cl)c1C[NH2+]CC1(C)CCC1 ZINC000132018132 384039392 /nfs/dbraw/zinc/03/93/92/384039392.db2.gz IKDMURFZAGBWAE-UHFFFAOYSA-N 1 0 227.739 2.353 10 0 BEAERO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000090981418 384087427 /nfs/dbraw/zinc/08/74/27/384087427.db2.gz LTZBZLFFGSKCOU-AAEUAGOBSA-N 1 0 247.338 2.067 10 0 BEAERO C[NH2+][C@H]1COc2c1cc(Br)cc2F ZINC000035653901 384088873 /nfs/dbraw/zinc/08/88/73/384088873.db2.gz JXZWJGLZYIVOOM-QMMMGPOBSA-N 1 0 246.079 2.241 10 0 BEAERO C[C@H](NCC(C)(C)[NH+](C)C)c1cncs1 ZINC000132047500 384056890 /nfs/dbraw/zinc/05/68/90/384056890.db2.gz AHWSVLMMGXWWEZ-VIFPVBQESA-N 1 0 227.377 2.134 10 0 BEAERO C[NH2+][C@@H](c1cnsn1)C1CCCCC1 ZINC000135145867 384069041 /nfs/dbraw/zinc/06/90/41/384069041.db2.gz PJHRKTRRBVIEJD-SNVBAGLBSA-N 1 0 211.334 2.379 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000278661161 384071875 /nfs/dbraw/zinc/07/18/75/384071875.db2.gz NHUXRFAOUUZMTI-LDYMZIIASA-N 1 0 217.272 2.168 10 0 BEAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000090773258 384073504 /nfs/dbraw/zinc/07/35/04/384073504.db2.gz QPXZSNAPUBTUHZ-GXTWGEPZSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@@H](c1ccccc1O)C2 ZINC000072415406 384104824 /nfs/dbraw/zinc/10/48/24/384104824.db2.gz YYVLOIDHCYNDKC-MWLCHTKSSA-N 1 0 243.310 2.154 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000290404968 384105917 /nfs/dbraw/zinc/10/59/17/384105917.db2.gz PRBVRDURQWBZDJ-NGZCFLSTSA-N 1 0 240.372 2.475 10 0 BEAERO Cn1ncc2c1C[C@H](c1ccccc1)C[C@@H]2[NH3+] ZINC000072415873 384109003 /nfs/dbraw/zinc/10/90/03/384109003.db2.gz COLBHMINQPMZHA-YPMHNXCESA-N 1 0 227.311 2.150 10 0 BEAERO c1ccc(C[C@H]2OC[C@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000005933668 384136803 /nfs/dbraw/zinc/13/68/03/384136803.db2.gz BFIHVAAIQMHVLM-ZNMIVQPWSA-N 1 0 247.338 2.113 10 0 BEAERO c1ccc(C[C@H]2OC[C@@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000005933673 384136852 /nfs/dbraw/zinc/13/68/52/384136852.db2.gz BFIHVAAIQMHVLM-KKUMJFAQSA-N 1 0 247.338 2.113 10 0 BEAERO CCO[C@@H](c1cccc(F)c1)C1=[NH+]CCCN1 ZINC000005860884 384138009 /nfs/dbraw/zinc/13/80/09/384138009.db2.gz VPFUOBXRNMBNCX-LBPRGKRZSA-N 1 0 236.290 2.295 10 0 BEAERO Nc1cc[nH+]cc1-c1ccc(Cl)nc1 ZINC000091368477 384124069 /nfs/dbraw/zinc/12/40/69/384124069.db2.gz JCXARWNGQVTMJG-UHFFFAOYSA-N 1 0 205.648 2.379 10 0 BEAERO CC[C@H](COC)[NH2+][C@@H]1COc2ccccc21 ZINC000070624488 384124232 /nfs/dbraw/zinc/12/42/32/384124232.db2.gz XDMUTOJXWQWLJR-ZYHUDNBSSA-N 1 0 221.300 2.135 10 0 BEAERO CCCCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000117879738 384184618 /nfs/dbraw/zinc/18/46/18/384184618.db2.gz IXYPXTURPMQICI-UHFFFAOYSA-N 1 0 248.374 2.179 10 0 BEAERO CCCCNC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000042213326 384207548 /nfs/dbraw/zinc/20/75/48/384207548.db2.gz BPOHITFLVLKNEN-SNVBAGLBSA-N 1 0 240.372 2.315 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccsc1 ZINC000282284927 384212184 /nfs/dbraw/zinc/21/21/84/384212184.db2.gz LHEHZHRJYLFHIC-NGZCFLSTSA-N 1 0 238.356 2.066 10 0 BEAERO CN(Cc1ccc(Cl)cc1)C(=O)C(C)(C)[NH3+] ZINC000042372736 384214163 /nfs/dbraw/zinc/21/41/63/384214163.db2.gz RJHONEMIJQJCOP-UHFFFAOYSA-N 1 0 240.734 2.036 10 0 BEAERO C[C@@H](Cc1ccccc1)C[N@H+](CCO)C1CC1 ZINC000132179987 384220309 /nfs/dbraw/zinc/22/03/09/384220309.db2.gz JYTFMXXWFHZQBW-ZDUSSCGKSA-N 1 0 233.355 2.322 10 0 BEAERO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](C)C2)n1 ZINC000132751918 384250070 /nfs/dbraw/zinc/25/00/70/384250070.db2.gz MAAAYZDEEFLEDW-AOOOYVTPSA-N 1 0 220.316 2.183 10 0 BEAERO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042956387 384256865 /nfs/dbraw/zinc/25/68/65/384256865.db2.gz WMCBXGLHDYAABK-XCBNKYQSSA-N 1 0 244.132 2.484 10 0 BEAERO CC[C@@](C)(C[NH2+][C@H](CC(C)C)CN(C)C)OC ZINC000319621195 384269250 /nfs/dbraw/zinc/26/92/50/384269250.db2.gz LLABFKPGRHKHPF-KGLIPLIRSA-N 1 0 244.423 2.367 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000119408879 384269788 /nfs/dbraw/zinc/26/97/88/384269788.db2.gz VKWOEHVRTCZLBP-AWEZNQCLSA-N 1 0 237.343 2.288 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000314715976 384281833 /nfs/dbraw/zinc/28/18/33/384281833.db2.gz NCZPNKKWUZIMAB-QWHCGFSZSA-N 1 0 221.348 2.131 10 0 BEAERO Cc1ccnc(OCCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095069413 384335418 /nfs/dbraw/zinc/33/54/18/384335418.db2.gz SSJMPPOEDFJCAR-LBPRGKRZSA-N 1 0 235.331 2.086 10 0 BEAERO Clc1ncc(COC[C@H]2CCCC[NH2+]2)s1 ZINC000095070212 384336438 /nfs/dbraw/zinc/33/64/38/384336438.db2.gz RGOBALMNFSDGRL-MRVPVSSYSA-N 1 0 246.763 2.455 10 0 BEAERO c1ccc2[nH]c(NC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000044493247 384336587 /nfs/dbraw/zinc/33/65/87/384336587.db2.gz RJBQNMHNZSNUHK-JTQLQIEISA-N 1 0 230.315 2.117 10 0 BEAERO CN(c1nsc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000095070531 384337212 /nfs/dbraw/zinc/33/72/12/384337212.db2.gz USUWDMCTXQAEMZ-SNVBAGLBSA-N 1 0 247.367 2.485 10 0 BEAERO Clc1cc(SC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000095070449 384337434 /nfs/dbraw/zinc/33/74/34/384337434.db2.gz DYMWPRXSMMGTES-QMMMGPOBSA-N 1 0 243.763 2.364 10 0 BEAERO CN(C[C@H]1CCC[NH2+]1)c1nc2ccccc2s1 ZINC000095070985 384338711 /nfs/dbraw/zinc/33/87/11/384338711.db2.gz DOYHFQSEYVABBH-SNVBAGLBSA-N 1 0 247.367 2.485 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](N=c2[nH]c3ccccc3s2)C1 ZINC000335577401 384341146 /nfs/dbraw/zinc/34/11/46/384341146.db2.gz DMGPARMIMPQQPN-ZJUUUORDSA-N 1 0 247.367 2.258 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000335579859 384343117 /nfs/dbraw/zinc/34/31/17/384343117.db2.gz JLDGYTNVSDENBA-YPMHNXCESA-N 1 0 241.338 2.196 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000335579856 384343627 /nfs/dbraw/zinc/34/36/27/384343627.db2.gz JLDGYTNVSDENBA-AAEUAGOBSA-N 1 0 241.338 2.196 10 0 BEAERO O=C(COC[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000095072862 384344887 /nfs/dbraw/zinc/34/48/87/384344887.db2.gz MSVJSPJQKDDQMM-SNVBAGLBSA-N 1 0 239.340 2.090 10 0 BEAERO COC(=O)/C=C1/CCC[N@H+](Cc2ccccc2)C1 ZINC000095076107 384351141 /nfs/dbraw/zinc/35/11/41/384351141.db2.gz PETMGASBJCUITG-UVTDQMKNSA-N 1 0 245.322 2.382 10 0 BEAERO COCc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000083969536 384351425 /nfs/dbraw/zinc/35/14/25/384351425.db2.gz IPUFBDGUAUNFSB-MFKMUULPSA-N 1 0 205.301 2.331 10 0 BEAERO Cc1ccsc1[C@@H](CCO)[NH2+]C(C)C ZINC000095088295 384360021 /nfs/dbraw/zinc/36/00/21/384360021.db2.gz BUEJCKUSODTNLN-SNVBAGLBSA-N 1 0 213.346 2.478 10 0 BEAERO c1ncc(COCC[C@H]2CCCC[NH2+]2)s1 ZINC000095092483 384360899 /nfs/dbraw/zinc/36/08/99/384360899.db2.gz UBQINSXJZBXSKL-SNVBAGLBSA-N 1 0 226.345 2.192 10 0 BEAERO c1ccc(COCCC[C@H]2CCC[NH2+]C2)nc1 ZINC000095092570 384362944 /nfs/dbraw/zinc/36/29/44/384362944.db2.gz XKAHQBJCUSUXAU-CYBMUJFWSA-N 1 0 234.343 2.378 10 0 BEAERO c1ccc2c(c1)snc2O[C@@H]1CC[NH2+]C1 ZINC000095092779 384363691 /nfs/dbraw/zinc/36/36/91/384363691.db2.gz DNARVXKSOBQZLZ-MRVPVSSYSA-N 1 0 220.297 2.037 10 0 BEAERO c1cncc(CSC[C@H]2CCCC[NH2+]2)c1 ZINC000095092746 384363767 /nfs/dbraw/zinc/36/37/67/384363767.db2.gz PWRMRICXRRNAPA-GFCCVEGCSA-N 1 0 222.357 2.457 10 0 BEAERO Cc1c(Cl)cccc1[C@H](O)[C@H](C)C[NH3+] ZINC000220113534 384366444 /nfs/dbraw/zinc/36/64/44/384366444.db2.gz BDJNBMRRWJCGPZ-RDDDGLTNSA-N 1 0 213.708 2.277 10 0 BEAERO C[N@@H+](Cc1cncs1)C[C@H]1CCCC[C@@H]1O ZINC000134602381 384370739 /nfs/dbraw/zinc/37/07/39/384370739.db2.gz LHYBWXDTGIXENJ-PWSUYJOCSA-N 1 0 240.372 2.126 10 0 BEAERO C[C@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000095068324 384330082 /nfs/dbraw/zinc/33/00/82/384330082.db2.gz QFBAZHKNXKPXAC-LPEHRKFASA-N 1 0 225.361 2.064 10 0 BEAERO CC[C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000095752082 384393247 /nfs/dbraw/zinc/39/32/47/384393247.db2.gz HKBHWTZBSJEWCD-WDEREUQCSA-N 1 0 242.363 2.241 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000121146312 384401841 /nfs/dbraw/zinc/40/18/41/384401841.db2.gz APPSUDURCUISPS-VMIDCOPPSA-N 1 0 217.312 2.467 10 0 BEAERO CCC(CC)(CC)C[NH2+]C[C@H](C)NC ZINC000391342851 384409842 /nfs/dbraw/zinc/40/98/42/384409842.db2.gz SGOSNXFRHYYCPU-NSHDSACASA-N 1 0 200.370 2.400 10 0 BEAERO C[N@@H+]1C[C@@H]2CN3CCCc4cccc(c43)[C@H]2C1 ZINC000095932757 384409963 /nfs/dbraw/zinc/40/99/63/384409963.db2.gz IFDBQWGAONCQLO-OCCSQVGLSA-N 1 0 228.339 2.098 10 0 BEAERO c1ccc2c(c1)N=c1ccc3c(c1-2)SC[NH+]=3 ZINC000095931747 384410792 /nfs/dbraw/zinc/41/07/92/384410792.db2.gz LZFQHNZVRYTMQN-UHFFFAOYSA-N 1 0 224.288 2.301 10 0 BEAERO c1ccc2c(c1)N=c1cc3c(cc1-2)=[NH+]CS3 ZINC000095931751 384411278 /nfs/dbraw/zinc/41/12/78/384411278.db2.gz AHJUYHSHXRDRLH-UHFFFAOYSA-N 1 0 224.288 2.301 10 0 BEAERO Cc1ccsc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084228518 384380943 /nfs/dbraw/zinc/38/09/43/384380943.db2.gz RMYTXAIASPSKHN-QWRGUYRKSA-N 1 0 225.357 2.307 10 0 BEAERO [NH3+][C@@H]1CCOC[C@H]1Cc1c(F)cccc1Cl ZINC000076688016 384382021 /nfs/dbraw/zinc/38/20/21/384382021.db2.gz OUNREVSFGGIAJG-PRHODGIISA-N 1 0 243.709 2.385 10 0 BEAERO [NH3+][C@@H](CCO)c1cccc(Cl)c1Cl ZINC000044197967 384448607 /nfs/dbraw/zinc/44/86/07/384448607.db2.gz NECIZMMSSYEYPS-QMMMGPOBSA-N 1 0 220.099 2.376 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000181136778 384457230 /nfs/dbraw/zinc/45/72/30/384457230.db2.gz VJBXDPPYYGZHJN-DGCLKSJQSA-N 1 0 221.348 2.454 10 0 BEAERO C[C@H]1SCC[N@H+](C2CCC(=O)CC2)[C@@H]1C ZINC000157263962 384462468 /nfs/dbraw/zinc/46/24/68/384462468.db2.gz VWCZOFRGTBOMHX-NXEZZACHSA-N 1 0 227.373 2.324 10 0 BEAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]CC1=CCCOC1 ZINC000175665145 384477297 /nfs/dbraw/zinc/47/72/97/384477297.db2.gz AYCZCLIYPUPYFE-AWEZNQCLSA-N 1 0 245.322 2.447 10 0 BEAERO CC[C@H]([NH2+]Cc1ncccn1)C(C)(C)C ZINC000309206056 384483532 /nfs/dbraw/zinc/48/35/32/384483532.db2.gz SAYYAPSRRHPSOZ-JTQLQIEISA-N 1 0 207.321 2.391 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc(F)cc1F ZINC000054929550 384511820 /nfs/dbraw/zinc/51/18/20/384511820.db2.gz QBUXSKDXRFSZBY-NEPJUHHUSA-N 1 0 229.270 2.372 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000334746172 384486584 /nfs/dbraw/zinc/48/65/84/384486584.db2.gz OKKWYMSYFJSQIK-ZANVPECISA-N 1 0 241.281 2.168 10 0 BEAERO C[C@H]([NH3+])[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054932754 384515314 /nfs/dbraw/zinc/51/53/14/384515314.db2.gz HDFZOHZNBATHTN-BQBZGAKWSA-N 1 0 201.216 2.079 10 0 BEAERO C[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000019270875 384515227 /nfs/dbraw/zinc/51/52/27/384515227.db2.gz GWXIGTGDZHMEFQ-ZCFIWIBFSA-N 1 0 232.096 2.478 10 0 BEAERO C[C@@H](Oc1cc(F)cc(F)c1)[C@H](C)[NH3+] ZINC000054932752 384515377 /nfs/dbraw/zinc/51/53/77/384515377.db2.gz HDFZOHZNBATHTN-NKWVEPMBSA-N 1 0 201.216 2.079 10 0 BEAERO C[C@H]([NH3+])c1cnc([C@@H]2CCSC2)s1 ZINC000258279418 384552151 /nfs/dbraw/zinc/55/21/51/384552151.db2.gz YKBMSSGTCQSPEW-NKWVEPMBSA-N 1 0 214.359 2.383 10 0 BEAERO Cn1ccnc1C[NH2+]CCC1=CCCCC1 ZINC000049854482 384576785 /nfs/dbraw/zinc/57/67/85/384576785.db2.gz JEXUJTRFIVNQNU-UHFFFAOYSA-N 1 0 219.332 2.400 10 0 BEAERO Cc1ccc(CNc2cc(N)cc[nH+]2)o1 ZINC000053035801 384580065 /nfs/dbraw/zinc/58/00/65/384580065.db2.gz VSTKXPIZAWQZBZ-UHFFFAOYSA-N 1 0 203.245 2.177 10 0 BEAERO C[C@H](Nc1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000335007345 384613892 /nfs/dbraw/zinc/61/38/92/384613892.db2.gz BKAPZIHDBSVZHE-DTWKUNHWSA-N 1 0 226.270 2.375 10 0 BEAERO C[C@@H](CC[NH2+][C@H]1CCCNC1=O)c1ccccc1 ZINC000050395561 384622832 /nfs/dbraw/zinc/62/28/32/384622832.db2.gz SHCLVFNRVFDPDF-JSGCOSHPSA-N 1 0 246.354 2.048 10 0 BEAERO OC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000336144577 384624189 /nfs/dbraw/zinc/62/41/89/384624189.db2.gz DXVIXMOKBGYLFK-SNVBAGLBSA-N 1 0 233.302 2.269 10 0 BEAERO [NH3+][C@H]1CC[C@H](Nc2cnc3ccccc3n2)CC1 ZINC000100267911 384627647 /nfs/dbraw/zinc/62/76/47/384627647.db2.gz AZZOQMGJZDXPCQ-PHIMTYICSA-N 1 0 242.326 2.312 10 0 BEAERO c1nn(C[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000050526031 384631952 /nfs/dbraw/zinc/63/19/52/384631952.db2.gz JOVWGEAMAQOPFV-LLVKDONJSA-N 1 0 215.300 2.036 10 0 BEAERO CC(C)(C)c1ccc([C@]2(CO)CC[NH2+]C2)cc1 ZINC000258810696 384667825 /nfs/dbraw/zinc/66/78/25/384667825.db2.gz NZCNAUHROAGRJY-OAHLLOKOSA-N 1 0 233.355 2.208 10 0 BEAERO CN(C)[C@@H](C[NH3+])c1c[nH]c2c1cccc2Cl ZINC000082329848 384669999 /nfs/dbraw/zinc/66/99/99/384669999.db2.gz FBLOMQBANQAVJI-NSHDSACASA-N 1 0 237.734 2.383 10 0 BEAERO [NH3+]Cc1cc2[nH]ccc2c(Br)c1 ZINC000082360992 384674813 /nfs/dbraw/zinc/67/48/13/384674813.db2.gz CGPYHFNCNVYYBI-UHFFFAOYSA-N 1 0 225.089 2.389 10 0 BEAERO COc1c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c(C)nn1C ZINC000403409094 384650479 /nfs/dbraw/zinc/65/04/79/384650479.db2.gz VNZXRRJZTNLETD-SDDRHHMPSA-N 1 0 249.358 2.015 10 0 BEAERO COc1c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)nn1C ZINC000403409086 384650621 /nfs/dbraw/zinc/65/06/21/384650621.db2.gz VNZXRRJZTNLETD-IJLUTSLNSA-N 1 0 249.358 2.015 10 0 BEAERO CCc1ccc([C@H]([NH3+])C2CCOCC2)o1 ZINC000061672292 384652367 /nfs/dbraw/zinc/65/23/67/384652367.db2.gz SPOCIDCEFGEMJV-GFCCVEGCSA-N 1 0 209.289 2.268 10 0 BEAERO CC(C)CCC[NH2+][C@@H]1CCc2nccn2C1 ZINC000309616907 384654018 /nfs/dbraw/zinc/65/40/18/384654018.db2.gz OCPILJYVUOKSNA-GFCCVEGCSA-N 1 0 221.348 2.224 10 0 BEAERO CC(C)(C)C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000374147551 384655289 /nfs/dbraw/zinc/65/52/89/384655289.db2.gz VLRFWEKRUXOLDD-LLVKDONJSA-N 1 0 221.348 2.396 10 0 BEAERO [NH3+][C@H](Cc1ncc[nH]1)c1ccc(Cl)s1 ZINC000051171436 384659373 /nfs/dbraw/zinc/65/93/73/384659373.db2.gz FVCSIQJROJBHTB-ZCFIWIBFSA-N 1 0 227.720 2.367 10 0 BEAERO c1csc(CC[NH2+]CC2CCOCC2)c1 ZINC000052171899 384722967 /nfs/dbraw/zinc/72/29/67/384722967.db2.gz NHVSBUGMORHVLN-UHFFFAOYSA-N 1 0 225.357 2.307 10 0 BEAERO C[NH2+][C@H]1c2cccc(Br)c2O[C@H]1C ZINC000043634688 384723052 /nfs/dbraw/zinc/72/30/52/384723052.db2.gz TVLOVFRBPVEHKO-IMTBSYHQSA-N 1 0 242.116 2.491 10 0 BEAERO C[C@H]1CN(CC(C)(C)c2ccccc2)C[C@@H]1[NH3+] ZINC000647539380 384677165 /nfs/dbraw/zinc/67/71/65/384677165.db2.gz YGCLMRWXCQXNEQ-JSGCOSHPSA-N 1 0 232.371 2.243 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)C ZINC000043252055 384683233 /nfs/dbraw/zinc/68/32/33/384683233.db2.gz GAEBPYCKCZAEQC-HZGVNTEJSA-N 1 0 218.753 2.351 10 0 BEAERO Fc1ccc(S[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000051784084 384688033 /nfs/dbraw/zinc/68/80/33/384688033.db2.gz ANYBRMASAXHZAG-MRVPVSSYSA-N 1 0 215.268 2.419 10 0 BEAERO c1ccc2sc(OC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000051866227 384692337 /nfs/dbraw/zinc/69/23/37/384692337.db2.gz GWPRPYHZEPCZOH-VIFPVBQESA-N 1 0 234.324 2.427 10 0 BEAERO c1nn(Cc2ccccc2)cc1C1CC[NH2+]CC1 ZINC000075869456 384694833 /nfs/dbraw/zinc/69/48/33/384694833.db2.gz MXMQZEXPFNFOJD-UHFFFAOYSA-N 1 0 241.338 2.398 10 0 BEAERO c1ccc2oc(OC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000051883529 384696721 /nfs/dbraw/zinc/69/67/21/384696721.db2.gz SBNAWOXYTJSZLF-JTQLQIEISA-N 1 0 232.283 2.349 10 0 BEAERO c1ccc2[nH]c(OCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000051870825 384697350 /nfs/dbraw/zinc/69/73/50/384697350.db2.gz KPKIDSNMTKPUPV-NSHDSACASA-N 1 0 245.326 2.474 10 0 BEAERO c1ccc2oc(OC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000051883530 384697673 /nfs/dbraw/zinc/69/76/73/384697673.db2.gz SBNAWOXYTJSZLF-SNVBAGLBSA-N 1 0 232.283 2.349 10 0 BEAERO Cc1ccnc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000051871490 384698131 /nfs/dbraw/zinc/69/81/31/384698131.db2.gz BAQBBOMCFDXRBV-GFCCVEGCSA-N 1 0 220.316 2.301 10 0 BEAERO [NH3+]Cc1cncc(-c2ccc(F)cc2)c1 ZINC000082639054 384698676 /nfs/dbraw/zinc/69/86/76/384698676.db2.gz XIINCIMTFZJTCR-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO Cn1ccnc1CNc1cccc(C[NH+](C)C)c1 ZINC000051922045 384704794 /nfs/dbraw/zinc/70/47/94/384704794.db2.gz YHECHNGZTFZSGD-UHFFFAOYSA-N 1 0 244.342 2.094 10 0 BEAERO CCOc1cc(C[NH2+][C@@H]2C[C@H]2C)ccc1O ZINC000052271625 384727241 /nfs/dbraw/zinc/72/72/41/384727241.db2.gz GCUHXAWMEOTBRL-MWLCHTKSSA-N 1 0 221.300 2.289 10 0 BEAERO OC1CC(C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000091538255 384707051 /nfs/dbraw/zinc/70/70/51/384707051.db2.gz PBMVTFOERHXQJZ-UHFFFAOYSA-N 1 0 231.295 2.293 10 0 BEAERO COCc1nc(C[NH3+])c(-c2ccccc2)s1 ZINC000082817889 384719184 /nfs/dbraw/zinc/71/91/84/384719184.db2.gz APBTZXGPIAYMJX-UHFFFAOYSA-N 1 0 234.324 2.415 10 0 BEAERO C[NH2+][C@@H]1c2cc(Br)ccc2O[C@@H]1C ZINC000043635072 384721002 /nfs/dbraw/zinc/72/10/02/384721002.db2.gz UMQWKRFDGMCMJB-LDWIPMOCSA-N 1 0 242.116 2.491 10 0 BEAERO C[C@@H]1Sc2c(cc(F)cc2F)[C@H]1[NH3+] ZINC000043636133 384728928 /nfs/dbraw/zinc/72/89/28/384728928.db2.gz QIJCZAJCUQGCOK-NVNXEXLPSA-N 1 0 201.241 2.459 10 0 BEAERO C[NH2+][C@@H]1c2cccc(OC)c2S[C@H]1C ZINC000043636209 384729180 /nfs/dbraw/zinc/72/91/80/384729180.db2.gz OLVPTFCBAMJZRN-XVKPBYJWSA-N 1 0 209.314 2.450 10 0 BEAERO Cc1nc(CC(F)(F)F)sc1C[NH3+] ZINC000052330026 384730956 /nfs/dbraw/zinc/73/09/56/384730956.db2.gz UNSPJAWMBVWECI-UHFFFAOYSA-N 1 0 210.224 2.015 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)NC1CCCCCC1 ZINC000054290691 384734384 /nfs/dbraw/zinc/73/43/84/384734384.db2.gz SLIBXPVUCSRJOM-LBPRGKRZSA-N 1 0 238.375 2.215 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccco1 ZINC000082991259 384734519 /nfs/dbraw/zinc/73/45/19/384734519.db2.gz PRZYKHIHTPSNCI-SRVKXCTJSA-N 1 0 223.316 2.481 10 0 BEAERO CCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052554666 384736088 /nfs/dbraw/zinc/73/60/88/384736088.db2.gz MZWCNYRIRPJMNG-ZDUSSCGKSA-N 1 0 234.343 2.206 10 0 BEAERO CSc1ccc(-c2c[nH+]c(N)n2C)cc1 ZINC000022130285 384736468 /nfs/dbraw/zinc/73/64/68/384736468.db2.gz KLWFLHJCJRZTBX-UHFFFAOYSA-N 1 0 219.313 2.391 10 0 BEAERO Cc1cc[nH+]c(NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000082997325 384736722 /nfs/dbraw/zinc/73/67/22/384736722.db2.gz LJCHGQJSLZRCNB-RYUDHWBXSA-N 1 0 220.316 2.353 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)NCC ZINC000309698575 384739637 /nfs/dbraw/zinc/73/96/37/384739637.db2.gz LVQCMODSLSMVPP-QJPTWQEYSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nc3ccccc3o2)C1 ZINC000334827490 384743176 /nfs/dbraw/zinc/74/31/76/384743176.db2.gz QRNYNJFDCZWSGO-GHMZBOCLSA-N 1 0 246.310 2.031 10 0 BEAERO CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000103195377 384753882 /nfs/dbraw/zinc/75/38/82/384753882.db2.gz OJZMSKGYVKCORR-YUTCNCBUSA-N 1 0 246.354 2.204 10 0 BEAERO [NH3+][C@@H](CO)c1cc(C(F)(F)F)ccc1Cl ZINC000072198895 384816236 /nfs/dbraw/zinc/81/62/36/384816236.db2.gz YBEJKAIHGFKIIV-QMMMGPOBSA-N 1 0 239.624 2.351 10 0 BEAERO Cc1cnn([C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000105901177 384816851 /nfs/dbraw/zinc/81/68/51/384816851.db2.gz PILHJCCVMQHRBX-CYBMUJFWSA-N 1 0 221.348 2.484 10 0 BEAERO CCCN(CC(C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000310079512 384825974 /nfs/dbraw/zinc/82/59/74/384825974.db2.gz CDYSWOPFPZHXBD-CYBMUJFWSA-N 1 0 240.391 2.271 10 0 BEAERO CC[N@H+](C)Cc1ccccc1OCCOC ZINC000126306139 384786980 /nfs/dbraw/zinc/78/69/80/384786980.db2.gz BCIGCBDIZKZLJX-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000310021883 384789576 /nfs/dbraw/zinc/78/95/76/384789576.db2.gz NTXPQLQFAVZSGM-OPRDCNLKSA-N 1 0 239.281 2.468 10 0 BEAERO CSC[C@H]([NH3+])c1ccc(F)c(F)c1F ZINC000061838754 384790960 /nfs/dbraw/zinc/79/09/60/384790960.db2.gz OVNFQYFOAPRWOT-ZETCQYMHSA-N 1 0 221.247 2.467 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000043388739 384791236 /nfs/dbraw/zinc/79/12/36/384791236.db2.gz XJUIOTOLHUPYKB-UWVGGRQHSA-N 1 0 217.671 2.250 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1 ZINC000375603955 384799847 /nfs/dbraw/zinc/79/98/47/384799847.db2.gz CRBZUUNEEQLGEP-ZRJCITRHSA-N 1 0 217.312 2.230 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)s1 ZINC000375776500 384809740 /nfs/dbraw/zinc/80/97/40/384809740.db2.gz RHLOLYAFMCIIMK-CNDDSTCGSA-N 1 0 223.341 2.039 10 0 BEAERO CN(Cc1cscn1)C[C@H]1CCCC[C@@H]1O ZINC000053884936 384811012 /nfs/dbraw/zinc/81/10/12/384811012.db2.gz AKDPIXAWLAWNAA-PWSUYJOCSA-N 1 0 240.372 2.126 10 0 BEAERO C[N@H+](CCc1ccccn1)C[C@H]1CCCC[C@@H]1O ZINC000053882493 384812048 /nfs/dbraw/zinc/81/20/48/384812048.db2.gz CTHFKNHDIMQFDP-HIFRSBDPSA-N 1 0 248.370 2.107 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(CO)c1 ZINC000126843883 384812429 /nfs/dbraw/zinc/81/24/29/384812429.db2.gz JCYMRGGSMFFIPC-OUJBWJOFSA-N 1 0 205.301 2.238 10 0 BEAERO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126853225 384815060 /nfs/dbraw/zinc/81/50/60/384815060.db2.gz ZLUOFANBVYAOHK-BDAKNGLRSA-N 1 0 228.723 2.157 10 0 BEAERO COP(=O)(Cc1ccccc1C[NH3+])OC ZINC000105640444 384880057 /nfs/dbraw/zinc/88/00/57/384880057.db2.gz PHSMRJUTAAZYJY-UHFFFAOYSA-N 1 0 229.216 2.131 10 0 BEAERO OC[C@@H]1C[NH2+][C@@H](c2ccccc2C(F)(F)F)C1 ZINC000258061288 384840702 /nfs/dbraw/zinc/84/07/02/384840702.db2.gz UDPADZMISZGNAA-GZMMTYOYSA-N 1 0 245.244 2.348 10 0 BEAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccccn2)cn1 ZINC000104959843 384853940 /nfs/dbraw/zinc/85/39/40/384853940.db2.gz UGEKIWSBSOGUGE-CQSZACIVSA-N 1 0 242.326 2.152 10 0 BEAERO [NH3+]C[C@@H](F)Cc1sccc1Br ZINC000156363849 384854856 /nfs/dbraw/zinc/85/48/56/384854856.db2.gz DRIVSTDLSVMZHH-YFKPBYRVSA-N 1 0 238.125 2.350 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccnc1Cl ZINC000127311540 384860057 /nfs/dbraw/zinc/86/00/57/384860057.db2.gz DCOSJDFYHZGRPK-PSASIEDQSA-N 1 0 226.707 2.002 10 0 BEAERO CCSCC[C@@H](C)[NH2+]Cc1nccn1C ZINC000127486240 384867423 /nfs/dbraw/zinc/86/74/23/384867423.db2.gz TYZPIHWOYDIQLM-SNVBAGLBSA-N 1 0 227.377 2.041 10 0 BEAERO C[C@H](CO)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000085527313 384953509 /nfs/dbraw/zinc/95/35/09/384953509.db2.gz VZFAHARCGRLZCQ-GMSGAONNSA-N 1 0 244.132 2.077 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000085638237 384957402 /nfs/dbraw/zinc/95/74/02/384957402.db2.gz QLQSNZMXVBCSJE-IHRRRGAJSA-N 1 0 246.354 2.293 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000123262288 384891074 /nfs/dbraw/zinc/89/10/74/384891074.db2.gz FGXFSVVMIJFYQD-NWDGAFQWSA-N 1 0 244.338 2.341 10 0 BEAERO Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309895567 384895738 /nfs/dbraw/zinc/89/57/38/384895738.db2.gz FUEYCPUAXDRDGP-VHSXEESVSA-N 1 0 243.351 2.464 10 0 BEAERO CCCC[C@H](COC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000164074336 384903718 /nfs/dbraw/zinc/90/37/18/384903718.db2.gz LJOCLOMHPVBIKF-VXGBXAGGSA-N 1 0 231.380 2.188 10 0 BEAERO C[N@H+](C[C@H](O)C1CCCCC1)C1CCC1 ZINC000127712746 384909763 /nfs/dbraw/zinc/90/97/63/384909763.db2.gz IXOLZEBGGGVBSO-ZDUSSCGKSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@H](C[NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000054334248 384913688 /nfs/dbraw/zinc/91/36/88/384913688.db2.gz INXYWDPWFYQXFO-ZCFIWIBFSA-N 1 0 209.680 2.279 10 0 BEAERO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000586768398 384916021 /nfs/dbraw/zinc/91/60/21/384916021.db2.gz DMXYYGOFEUDFQD-ZJUUUORDSA-N 1 0 249.301 2.161 10 0 BEAERO Nc1[nH]cc(C23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000085279368 384934790 /nfs/dbraw/zinc/93/47/90/384934790.db2.gz JKICBHBVAFWGNI-UHFFFAOYSA-N 1 0 217.316 2.460 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+]C1CCSCC1 ZINC000128236080 384938417 /nfs/dbraw/zinc/93/84/17/384938417.db2.gz WMGMNJGBMOMAJK-LLVKDONJSA-N 1 0 230.421 2.202 10 0 BEAERO CC(C)CC[C@@H]([NH2+]CCn1cncn1)C1CC1 ZINC000338675723 384938662 /nfs/dbraw/zinc/93/86/62/384938662.db2.gz YLWNVRMSQSOKLI-CYBMUJFWSA-N 1 0 236.363 2.083 10 0 BEAERO C[NH+](C)[C@H]1CC[C@H](Nc2ncc(Cl)cn2)C1 ZINC000301915366 384945835 /nfs/dbraw/zinc/94/58/35/384945835.db2.gz GKHHAKXVKASTQL-UWVGGRQHSA-N 1 0 240.738 2.025 10 0 BEAERO C[N@@H+](Cc1ccns1)C[C@H]1CCC[C@@H](O)C1 ZINC000404384539 384975135 /nfs/dbraw/zinc/97/51/35/384975135.db2.gz ISUJCPXUCMPRHE-WDEREUQCSA-N 1 0 240.372 2.126 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)sn1 ZINC000404416641 384981059 /nfs/dbraw/zinc/98/10/59/384981059.db2.gz DZXKINPWLHCJIG-JQWIXIFHSA-N 1 0 240.372 2.092 10 0 BEAERO C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000062706488 384995001 /nfs/dbraw/zinc/99/50/01/384995001.db2.gz DJYBVXIZWSJAIN-ZETCQYMHSA-N 1 0 201.191 2.311 10 0 BEAERO Cc1cc(C[NH2+]CC[C@@H]2CCCO2)sn1 ZINC000404455943 384999635 /nfs/dbraw/zinc/99/96/35/384999635.db2.gz JPJOQFGCEWFBAF-JTQLQIEISA-N 1 0 226.345 2.110 10 0 BEAERO [NH3+]C[C@@H](O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000029333117 385000697 /nfs/dbraw/zinc/00/06/97/385000697.db2.gz QOOSKUBRGBNRPA-OAHLLOKOSA-N 1 0 225.291 2.250 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNc1ncncc1Cl ZINC000302620330 385002061 /nfs/dbraw/zinc/00/20/61/385002061.db2.gz GTGDFQRBNVBZFY-VIFPVBQESA-N 1 0 242.754 2.272 10 0 BEAERO CCCCCNC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339514776 385011574 /nfs/dbraw/zinc/01/15/74/385011574.db2.gz WWMJLRQRXXKAQG-GFCCVEGCSA-N 1 0 240.391 2.460 10 0 BEAERO CC(C)C1([NH2+][C@H](C)C(=O)NC2CCCC2)CC1 ZINC000339507801 385012170 /nfs/dbraw/zinc/01/21/70/385012170.db2.gz FVEBRRHNNQBEKN-LLVKDONJSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCC2)CC1 ZINC000131122365 385070686 /nfs/dbraw/zinc/07/06/86/385070686.db2.gz GGZVMXMHNQUMSP-VXGBXAGGSA-N 1 0 211.349 2.460 10 0 BEAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccs3)C2)cn1 ZINC000128403908 385035186 /nfs/dbraw/zinc/03/51/86/385035186.db2.gz GROXFGPQPKVDMV-LLVKDONJSA-N 1 0 247.367 2.471 10 0 BEAERO [NH3+]C[C@H](F)Cc1sccc1Br ZINC000156363966 385035948 /nfs/dbraw/zinc/03/59/48/385035948.db2.gz DRIVSTDLSVMZHH-RXMQYKEDSA-N 1 0 238.125 2.350 10 0 BEAERO CCCn1ccc(C[NH2+]C[C@H](C)COC)c1 ZINC000085606160 134442606 /nfs/dbraw/zinc/44/26/06/134442606.db2.gz SAFKHDUNYMBDHL-LBPRGKRZSA-N 1 0 224.348 2.270 10 0 BEAERO C[NH2+][C@]1(c2nccs2)CCCSC1 ZINC000061590709 385126834 /nfs/dbraw/zinc/12/68/34/385126834.db2.gz YJPBZIVLOHXVNU-SECBINFHSA-N 1 0 214.359 2.085 10 0 BEAERO CCCC1(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000377530119 385091560 /nfs/dbraw/zinc/09/15/60/385091560.db2.gz MGIQREKRLSREIL-VXGBXAGGSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])[C@H]1CCCOC1 ZINC000062234470 385103643 /nfs/dbraw/zinc/10/36/43/385103643.db2.gz LSDOPHKEKFGIBC-VHSXEESVSA-N 1 0 211.330 2.483 10 0 BEAERO C(C1CC1)[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000119748230 385196436 /nfs/dbraw/zinc/19/64/36/385196436.db2.gz WRYOGNODVYZBIM-KBPBESRZSA-N 1 0 239.359 2.056 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cnccn1 ZINC000090175866 385215327 /nfs/dbraw/zinc/21/53/27/385215327.db2.gz LQJWFZFHHIIHQK-HBNTYKKESA-N 1 0 205.305 2.316 10 0 BEAERO CC(C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019507177 385218352 /nfs/dbraw/zinc/21/83/52/385218352.db2.gz KLBCDQKNHCNNMB-AVGNSLFASA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308860038 385222924 /nfs/dbraw/zinc/22/29/24/385222924.db2.gz RDSOYUFQOQSSCA-UTUOFQBUSA-N 1 0 217.328 2.123 10 0 BEAERO FCCC[NH2+]C1CC(c2ccccn2)C1 ZINC000308888994 385245185 /nfs/dbraw/zinc/24/51/85/385245185.db2.gz VSTGCHIEZWSWMO-UHFFFAOYSA-N 1 0 208.280 2.277 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2(C)CC2)C1(C)C ZINC000308937922 385304938 /nfs/dbraw/zinc/30/49/38/385304938.db2.gz LJBUKMOZKCWDGO-GMTAPVOTSA-N 1 0 211.349 2.436 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1nccn1-c1ccccc1 ZINC000190952126 385271865 /nfs/dbraw/zinc/27/18/65/385271865.db2.gz JGUKRVQZKVZLJO-DGCLKSJQSA-N 1 0 227.311 2.370 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cncs1 ZINC000153753890 385277958 /nfs/dbraw/zinc/27/79/58/385277958.db2.gz SXAVDJHHKJCBGH-HBNTYKKESA-N 1 0 240.372 2.345 10 0 BEAERO CC(C)n1nc(-c2ccco2)c2c1CC[NH2+]C2 ZINC000167541229 385323416 /nfs/dbraw/zinc/32/34/16/385323416.db2.gz ARPNOZDXWSRAJK-UHFFFAOYSA-N 1 0 231.299 2.370 10 0 BEAERO Fc1ccc(-c2n[nH]c([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000065287270 385297670 /nfs/dbraw/zinc/29/76/70/385297670.db2.gz JXBAEMLMOSUAGC-SNVBAGLBSA-N 1 0 246.289 2.078 10 0 BEAERO Cc1cccc(NCC2CCC(C(N)=O)CC2)[nH+]1 ZINC000157872072 385300498 /nfs/dbraw/zinc/30/04/98/385300498.db2.gz ZSFDGFJZEXMHCZ-UHFFFAOYSA-N 1 0 247.342 2.094 10 0 BEAERO [NH3+]CCn1c(-c2ccccc2)nc2cccnc21 ZINC000015774378 385343281 /nfs/dbraw/zinc/34/32/81/385343281.db2.gz KBAMODNWZZXZNG-UHFFFAOYSA-N 1 0 238.294 2.057 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccco1 ZINC000167997609 385344868 /nfs/dbraw/zinc/34/48/68/385344868.db2.gz DWJBXTWYWORZSJ-TUAOUCFPSA-N 1 0 223.316 2.481 10 0 BEAERO C[C@H](F)CC[NH2+]C1(C2CC2)CCOCC1 ZINC000309006582 385357354 /nfs/dbraw/zinc/35/73/54/385357354.db2.gz QASLUGUFBGEZDS-JTQLQIEISA-N 1 0 215.312 2.283 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCCc3occc32)c1 ZINC000192969168 385378919 /nfs/dbraw/zinc/37/89/19/385378919.db2.gz DXUJOYJYUWWOBA-CYBMUJFWSA-N 1 0 245.326 2.452 10 0 BEAERO CC(C)(C)C[NH2+]C[C@H]1CC12CCOCC2 ZINC000309083093 385401962 /nfs/dbraw/zinc/40/19/62/385401962.db2.gz SKSDUSJBNSZZST-LLVKDONJSA-N 1 0 211.349 2.439 10 0 BEAERO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170863371 385451044 /nfs/dbraw/zinc/45/10/44/385451044.db2.gz QWIKNIKSVPEEAK-AWEZNQCLSA-N 1 0 246.354 2.080 10 0 BEAERO Cc1ccc(C)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170863368 385451135 /nfs/dbraw/zinc/45/11/35/385451135.db2.gz QVMALDOLYJHXHA-CYBMUJFWSA-N 1 0 246.354 2.080 10 0 BEAERO CCc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170863464 385451186 /nfs/dbraw/zinc/45/11/86/385451186.db2.gz MYUXNPQQRMHROI-AWEZNQCLSA-N 1 0 246.354 2.025 10 0 BEAERO c1ccc(NC[C@@H]2CC[N@H+](CC3CC3)C2)nc1 ZINC000156473849 385454406 /nfs/dbraw/zinc/45/44/06/385454406.db2.gz SRUCHPMNIUVJSS-ZDUSSCGKSA-N 1 0 231.343 2.225 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000052762468 385468024 /nfs/dbraw/zinc/46/80/24/385468024.db2.gz NXSOKXCURRKHFS-LBPRGKRZSA-N 1 0 225.357 2.485 10 0 BEAERO CC[C@H]([NH3+])CNc1nc(C)cc(C(C)C)n1 ZINC000156889347 385472297 /nfs/dbraw/zinc/47/22/97/385472297.db2.gz IKJJYPGUEPZVHA-JTQLQIEISA-N 1 0 222.336 2.058 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](COC)OC)C(C)(C)C ZINC000309219264 385486331 /nfs/dbraw/zinc/48/63/31/385486331.db2.gz UYZLZRAMCIIOIH-WDEREUQCSA-N 1 0 217.353 2.062 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc(C)nc1 ZINC000309186505 385459046 /nfs/dbraw/zinc/45/90/46/385459046.db2.gz OYEPDPUPELZYEN-RYUDHWBXSA-N 1 0 205.305 2.063 10 0 BEAERO CCCCCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000111268872 385498665 /nfs/dbraw/zinc/49/86/65/385498665.db2.gz IWQDJUWJELEPJL-CHWSQXEVSA-N 1 0 240.391 2.269 10 0 BEAERO CCCCN(CCCC)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111263820 385499157 /nfs/dbraw/zinc/49/91/57/385499157.db2.gz ANAPVXMKJZMSDU-QWHCGFSZSA-N 1 0 240.391 2.271 10 0 BEAERO C[NH2+][C@H](C)c1coc(Br)c1 ZINC000257824161 385500299 /nfs/dbraw/zinc/50/02/99/385500299.db2.gz FEFQKDOORRRLHD-RXMQYKEDSA-N 1 0 204.067 2.323 10 0 BEAERO COC(=O)c1cccnc1C[NH+]1CCCCCC1 ZINC000302368472 385518403 /nfs/dbraw/zinc/51/84/03/385518403.db2.gz OKFKUKKHNUUDFU-UHFFFAOYSA-N 1 0 248.326 2.244 10 0 BEAERO C[C@H]([NH2+]Cc1ccnc(Cl)c1)[C@H]1CCCO1 ZINC000183091180 385508599 /nfs/dbraw/zinc/50/85/99/385508599.db2.gz LDKYWNIUPGJVSI-GXSJLCMTSA-N 1 0 240.734 2.392 10 0 BEAERO COc1ccc([C@@H](C)C[NH2+]C2(CO)CCC2)cc1 ZINC000180222403 385514354 /nfs/dbraw/zinc/51/43/54/385514354.db2.gz JJVJTJHCWBLTDB-LBPRGKRZSA-N 1 0 249.354 2.303 10 0 BEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccsc1 ZINC000180606402 385532430 /nfs/dbraw/zinc/53/24/30/385532430.db2.gz MSOAHCLTHBKMPR-ONGXEEELSA-N 1 0 248.355 2.005 10 0 BEAERO OC[C@@H]1C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000258149963 385544565 /nfs/dbraw/zinc/54/45/65/385544565.db2.gz ZWTHSGBFDDJDDI-GZMMTYOYSA-N 1 0 245.244 2.348 10 0 BEAERO CC1([NH3+])CCN(c2ncnc3sccc32)CC1 ZINC000643028593 385524649 /nfs/dbraw/zinc/52/46/49/385524649.db2.gz QPWDIPOXYRXZHO-UHFFFAOYSA-N 1 0 248.355 2.009 10 0 BEAERO COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]CCF ZINC000309414998 385574855 /nfs/dbraw/zinc/57/48/55/385574855.db2.gz CLPBUAYLJOBTBS-WDEREUQCSA-N 1 0 231.311 2.058 10 0 BEAERO CC[C@H]([NH2+]C[C@](C)(O)CCOC)C(C)(C)C ZINC000309421588 385576406 /nfs/dbraw/zinc/57/64/06/385576406.db2.gz DQTXBABSQFRZDA-WCQYABFASA-N 1 0 231.380 2.188 10 0 BEAERO Cc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000107934969 385595590 /nfs/dbraw/zinc/59/55/90/385595590.db2.gz ZIWQJKUOGPTFBH-AWEZNQCLSA-N 1 0 219.328 2.199 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cccnn2)C1 ZINC000259601000 385587605 /nfs/dbraw/zinc/58/76/05/385587605.db2.gz ZRRWPKOMVWHZNX-NSHDSACASA-N 1 0 205.305 2.064 10 0 BEAERO C[C@@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000036926005 385588876 /nfs/dbraw/zinc/58/88/76/385588876.db2.gz SMWDEIPUWDOPQP-ZCFIWIBFSA-N 1 0 213.664 2.131 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000336678114 385615939 /nfs/dbraw/zinc/61/59/39/385615939.db2.gz CGBDVRLGXPZJGF-GHMZBOCLSA-N 1 0 226.364 2.056 10 0 BEAERO Cc1sccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000293524300 385628481 /nfs/dbraw/zinc/62/84/81/385628481.db2.gz IVJQFZRUZLJZPF-NWDGAFQWSA-N 1 0 225.357 2.450 10 0 BEAERO CCSCC[NH2+][C@@H](C)CN(CC)CC ZINC000128935412 385634517 /nfs/dbraw/zinc/63/45/17/385634517.db2.gz JNBPSCQGCAAHRE-NSHDSACASA-N 1 0 218.410 2.059 10 0 BEAERO [NH3+]Cc1c[nH]c(-c2cccc(Cl)c2)n1 ZINC000062820808 385635047 /nfs/dbraw/zinc/63/50/47/385635047.db2.gz RBVNGRXRBXSHHY-UHFFFAOYSA-N 1 0 207.664 2.189 10 0 BEAERO CCOC(=O)[C@H]1CCCC[N@@H+](C(C)C)C1 ZINC000259739822 385641176 /nfs/dbraw/zinc/64/11/76/385641176.db2.gz OTTZFSBZOAXJOT-NSHDSACASA-N 1 0 213.321 2.060 10 0 BEAERO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309514718 385654540 /nfs/dbraw/zinc/65/45/40/385654540.db2.gz YIHHYWLIPICLPY-RVMXOQNASA-N 1 0 223.360 2.437 10 0 BEAERO [NH3+][C@@H](c1coc(Br)c1)C1=COCC1 ZINC000306946160 385662118 /nfs/dbraw/zinc/66/21/18/385662118.db2.gz LBXCHBYGSXYQRA-SECBINFHSA-N 1 0 244.088 2.346 10 0 BEAERO CO[C@H](C)CC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000336735031 385693019 /nfs/dbraw/zinc/69/30/19/385693019.db2.gz LLIVGSDKKSXBLW-KKOKHZNYSA-N 1 0 229.364 2.061 10 0 BEAERO C[C@]1(c2ccc(Br)s2)C[C@@H]1[NH3+] ZINC000052126300 385700331 /nfs/dbraw/zinc/70/03/31/385700331.db2.gz OQXWNZJBPKQZRC-XNCJUZBTSA-N 1 0 232.146 2.499 10 0 BEAERO CC(C)C[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000309524361 385667332 /nfs/dbraw/zinc/66/73/32/385667332.db2.gz AWLLNUWPEWNQJE-RYUDHWBXSA-N 1 0 221.348 2.222 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000309611186 385739306 /nfs/dbraw/zinc/73/93/06/385739306.db2.gz AGLSQLBWXGSCFB-VXGBXAGGSA-N 1 0 221.348 2.081 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]CCCOCc1ccccc1 ZINC000292459774 385745901 /nfs/dbraw/zinc/74/59/01/385745901.db2.gz YSGDZKQVIVGXCI-UKRRQHHQSA-N 1 0 249.354 2.360 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C(=O)OC)co1 ZINC000230684623 385750004 /nfs/dbraw/zinc/75/00/04/385750004.db2.gz KZWHALFPVTZEGM-BXKDBHETSA-N 1 0 237.299 2.344 10 0 BEAERO CSC1(C[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000336712499 385802426 /nfs/dbraw/zinc/80/24/26/385802426.db2.gz UZADAAJVGHWUPI-SNVBAGLBSA-N 1 0 231.405 2.269 10 0 BEAERO C[C@H](CCCC[NH3+])Nc1ccc(F)cn1 ZINC000336713116 385802753 /nfs/dbraw/zinc/80/27/53/385802753.db2.gz VJLXFBKVDJXZOQ-SECBINFHSA-N 1 0 211.284 2.150 10 0 BEAERO C[C@H]([N@H+](C)C[C@H](O)C(F)(F)F)C1(C)CC1 ZINC000121459235 385842829 /nfs/dbraw/zinc/84/28/29/385842829.db2.gz XCSDCNPODMDXFW-YUMQZZPRSA-N 1 0 225.254 2.030 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000336705867 385789224 /nfs/dbraw/zinc/78/92/24/385789224.db2.gz PPLHDALKNKTLTL-NXEZZACHSA-N 1 0 239.281 2.386 10 0 BEAERO Cc1cnc(CN[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000638547637 385856208 /nfs/dbraw/zinc/85/62/08/385856208.db2.gz HRZNJRHPQGKYSN-GFCCVEGCSA-N 1 0 239.363 2.049 10 0 BEAERO Cc1ccc2nc(C[NH2+][C@H]3C[C@@H]3C)cn2c1 ZINC000283826610 385794181 /nfs/dbraw/zinc/79/41/81/385794181.db2.gz GHXUBKUGLPAEKE-JQWIXIFHSA-N 1 0 215.300 2.141 10 0 BEAERO Cc1ccc2nc(C[NH2+][C@@H]3C[C@@H]3C)cn2c1 ZINC000283826606 385795443 /nfs/dbraw/zinc/79/54/43/385795443.db2.gz GHXUBKUGLPAEKE-CMPLNLGQSA-N 1 0 215.300 2.141 10 0 BEAERO COC[C@H](C[NH2+][C@@H](C)c1cc(C)oc1C)OC ZINC000219297656 385928639 /nfs/dbraw/zinc/92/86/39/385928639.db2.gz VCMHNHSAABGLOY-JQWIXIFHSA-N 1 0 241.331 2.208 10 0 BEAERO C[C@H](O)CCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336767873 385929260 /nfs/dbraw/zinc/92/92/60/385929260.db2.gz SVCKJYDYRRNWOB-SRVKXCTJSA-N 1 0 217.328 2.265 10 0 BEAERO CC1(C)C[NH2+]CC/C1=C/Br ZINC000575546333 385977196 /nfs/dbraw/zinc/97/71/96/385977196.db2.gz QEESCPFODUKAIN-ALCCZGGFSA-N 1 0 204.111 2.285 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)C1CC1 ZINC000334522315 385938073 /nfs/dbraw/zinc/93/80/73/385938073.db2.gz NCWAHHFJORVGEX-GZMMTYOYSA-N 1 0 205.305 2.175 10 0 BEAERO Fc1ccc(F)c(COC[C@@H]2CCC[NH2+]2)c1 ZINC000051816622 385941337 /nfs/dbraw/zinc/94/13/37/385941337.db2.gz LDGCGILLAFQGKK-NSHDSACASA-N 1 0 227.254 2.233 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(=O)N(C)CC ZINC000336750253 386002467 /nfs/dbraw/zinc/00/24/67/386002467.db2.gz ZJUJPPPXYHZRSR-NWDGAFQWSA-N 1 0 226.364 2.023 10 0 BEAERO C[C@H]1CSC[C@@]1([NH3+])Cc1ccsc1 ZINC000575560571 386013645 /nfs/dbraw/zinc/01/36/45/386013645.db2.gz JXNCOGLOPBCUCY-WPRPVWTQSA-N 1 0 213.371 2.371 10 0 BEAERO C[C@@H]1CSC[C@@]1([NH3+])Cc1ccsc1 ZINC000575560565 386014060 /nfs/dbraw/zinc/01/40/60/386014060.db2.gz JXNCOGLOPBCUCY-SCZZXKLOSA-N 1 0 213.371 2.371 10 0 BEAERO CC(C)OC1CC([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000189539442 386022928 /nfs/dbraw/zinc/02/29/28/386022928.db2.gz DIVWMQNNLZYXEV-ABXWRUBCSA-N 1 0 241.375 2.083 10 0 BEAERO CC1(C)SC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307168867 386025456 /nfs/dbraw/zinc/02/54/56/386025456.db2.gz WGSJFQNZCMDJDH-NSHDSACASA-N 1 0 249.383 2.195 10 0 BEAERO Cc1ccc([C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000221999754 386031447 /nfs/dbraw/zinc/03/14/47/386031447.db2.gz JHMZZTIILPJORG-KCQAQPDRSA-N 1 0 249.354 2.138 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nccn1C ZINC000336738557 386107235 /nfs/dbraw/zinc/10/72/35/386107235.db2.gz OIZBZTITDNFVPZ-NEPJUHHUSA-N 1 0 221.348 2.479 10 0 BEAERO Cc1ncsc1[C@]1([NH3+])CS[C@@H](C)C1 ZINC000575569100 386114400 /nfs/dbraw/zinc/11/44/00/386114400.db2.gz BVZFLUVBSDGLIF-IMTBSYHQSA-N 1 0 214.359 2.131 10 0 BEAERO CC[C@@H]([NH2+]Cc1cc(C)n(C)n1)C(C)C ZINC000414312165 386115444 /nfs/dbraw/zinc/11/54/44/386115444.db2.gz WGJCAJMRWKAPLB-GFCCVEGCSA-N 1 0 209.337 2.253 10 0 BEAERO Cc1ncsc1[C@@]1([NH3+])CCS[C@H]1C ZINC000575565587 386071802 /nfs/dbraw/zinc/07/18/02/386071802.db2.gz ALCZUXLIMQFQGN-IONNQARKSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@H]1SCCC[C@@]1([NH3+])c1cnsc1 ZINC000575567101 386085530 /nfs/dbraw/zinc/08/55/30/386085530.db2.gz XAZATJOPKUHJTA-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO CC[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336772998 386091584 /nfs/dbraw/zinc/09/15/84/386091584.db2.gz YILBEHUTQFWKBI-WOPDTQHZSA-N 1 0 217.328 2.265 10 0 BEAERO C[C@H]1SCCC[C@@]1([NH3+])c1ccsn1 ZINC000575571189 386145144 /nfs/dbraw/zinc/14/51/44/386145144.db2.gz IFRAPEHSRQLUPI-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1sccc1[C@@H]1OCCC[C@@H]1C[NH3+] ZINC000307183133 386140420 /nfs/dbraw/zinc/14/04/20/386140420.db2.gz WYVYAUJQXQTAPA-MWLCHTKSSA-N 1 0 211.330 2.483 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000131932286 386227562 /nfs/dbraw/zinc/22/75/62/386227562.db2.gz LNRGBKXCHKUDJD-JMCQJSRRSA-N 1 0 245.244 2.371 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C)C[C@@H]2C)o1 ZINC000336742544 386200238 /nfs/dbraw/zinc/20/02/38/386200238.db2.gz OIXYXLXDKOOEFH-DLOVCJGASA-N 1 0 222.332 2.189 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000336730624 386282187 /nfs/dbraw/zinc/28/21/87/386282187.db2.gz KHJIQUINUBDBGU-TUAOUCFPSA-N 1 0 215.312 2.283 10 0 BEAERO C[C@@H](O)CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000336683153 386343373 /nfs/dbraw/zinc/34/33/73/386343373.db2.gz SOVKHDUHGBVGOS-MNOVXSKESA-N 1 0 240.372 2.441 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000521401222 386452120 /nfs/dbraw/zinc/45/21/20/386452120.db2.gz ZSZACOUMQUPYON-GBIKHYSHSA-N 1 0 227.348 2.482 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCC1CCCC1 ZINC000399172109 386434337 /nfs/dbraw/zinc/43/43/37/386434337.db2.gz OPGIGEOBPPDKTQ-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCOCCO ZINC000034676186 386473995 /nfs/dbraw/zinc/47/39/95/386473995.db2.gz NPRKDOZIKVBIOH-HZSPNIEDSA-N 1 0 243.391 2.046 10 0 BEAERO Cc1cc(Br)cc(F)c1C[NH3+] ZINC000238460709 386482610 /nfs/dbraw/zinc/48/26/10/386482610.db2.gz WIIIKZGUDLDAIE-UHFFFAOYSA-N 1 0 218.069 2.355 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000135287089 386500408 /nfs/dbraw/zinc/50/04/08/386500408.db2.gz WSKDKFUQCSNHPN-XQQFMLRXSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CCOCC3)[C@H]1C ZINC000336733248 386506902 /nfs/dbraw/zinc/50/69/02/386506902.db2.gz GKXFZUCXEXXCPK-XQHKEYJVSA-N 1 0 223.360 2.437 10 0 BEAERO CSCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000187782084 386594964 /nfs/dbraw/zinc/59/49/64/386594964.db2.gz KCOHUJGHGBJIHU-NEPJUHHUSA-N 1 0 239.388 2.319 10 0 BEAERO C[C@@]1(CN2CCc3sccc3C2)CC[NH2+]C1 ZINC000062910780 386533610 /nfs/dbraw/zinc/53/36/10/386533610.db2.gz PYIXQRXFJZCXRB-CYBMUJFWSA-N 1 0 236.384 2.106 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccccc1OC ZINC000616599893 386534065 /nfs/dbraw/zinc/53/40/65/386534065.db2.gz SDHADLPPWZQVRO-CYBMUJFWSA-N 1 0 235.327 2.479 10 0 BEAERO C[C@@]1(C(=O)N2CCCCCCC2)CCCC[NH2+]1 ZINC000136135477 386568218 /nfs/dbraw/zinc/56/82/18/386568218.db2.gz KBBXDTILYOJGDR-AWEZNQCLSA-N 1 0 238.375 2.311 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000335523423 386666407 /nfs/dbraw/zinc/66/64/07/386666407.db2.gz JWHFGWFXXVWFLC-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)(C)C1CCN(C(=O)CCC[NH3+])CC1 ZINC000050348630 386670532 /nfs/dbraw/zinc/67/05/32/386670532.db2.gz MZSHADIKIXWZRB-UHFFFAOYSA-N 1 0 226.364 2.010 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@H]2CCSC2)cs1 ZINC000307496335 386688676 /nfs/dbraw/zinc/68/86/76/386688676.db2.gz RPEGVSIKKLCNOO-IONNQARKSA-N 1 0 214.359 2.204 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000394946433 386732509 /nfs/dbraw/zinc/73/25/09/386732509.db2.gz IETPMPWLGOVLLU-NSHDSACASA-N 1 0 233.302 2.269 10 0 BEAERO Brc1ccccc1C1=[NH+]CCCN1 ZINC000138122716 386726218 /nfs/dbraw/zinc/72/62/18/386726218.db2.gz JDUJTEMEOTVMIV-UHFFFAOYSA-N 1 0 239.116 2.189 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NC(CC)(C1CC1)C1CC1 ZINC000638507794 386730183 /nfs/dbraw/zinc/73/01/83/386730183.db2.gz AVTPZGRKAZZSQX-LBPRGKRZSA-N 1 0 238.375 2.199 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(C)C)cn1 ZINC000336760992 386747326 /nfs/dbraw/zinc/74/73/26/386747326.db2.gz MRRLPVUPSCWTJJ-WDEREUQCSA-N 1 0 207.321 2.480 10 0 BEAERO CSC1([C@@H]2[NH2+][C@@H](C)CCS2)CC1 ZINC000307596084 386748287 /nfs/dbraw/zinc/74/82/87/386748287.db2.gz LZJHJVZPLVTSOR-JGVFFNPUSA-N 1 0 203.376 2.323 10 0 BEAERO CSC1([C@H]2[NH2+][C@H](C)CCS2)CC1 ZINC000307596085 386749078 /nfs/dbraw/zinc/74/90/78/386749078.db2.gz LZJHJVZPLVTSOR-SFYZADRCSA-N 1 0 203.376 2.323 10 0 BEAERO C[NH+](C)C[C@H](NCc1cocn1)c1ccccc1 ZINC000192281853 386752480 /nfs/dbraw/zinc/75/24/80/386752480.db2.gz NWUCQCCWKHEDRT-AWEZNQCLSA-N 1 0 245.326 2.067 10 0 BEAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000395222188 386760149 /nfs/dbraw/zinc/76/01/49/386760149.db2.gz MHAKGOVOZRVHQI-DYEKYZERSA-N 1 0 246.354 2.252 10 0 BEAERO O=C1OCC[C@H]1[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494534 386790248 /nfs/dbraw/zinc/79/02/48/386790248.db2.gz WNPNLEBRBNHAOT-OCCSQVGLSA-N 1 0 235.327 2.124 10 0 BEAERO CC[C@H]([NH2+]Cc1cn(C)nc1C)C(C)C ZINC000148920115 386770695 /nfs/dbraw/zinc/77/06/95/386770695.db2.gz JHOBHKQGOOQQDF-LBPRGKRZSA-N 1 0 209.337 2.253 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000336743734 386780253 /nfs/dbraw/zinc/78/02/53/386780253.db2.gz UFJGLBIVKYYHCQ-NEPJUHHUSA-N 1 0 221.348 2.081 10 0 BEAERO C[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248653122 386787114 /nfs/dbraw/zinc/78/71/14/386787114.db2.gz OKIKAASARHUOTK-OCCSQVGLSA-N 1 0 249.354 2.219 10 0 BEAERO Clc1ccccc1CNC[C@@H]1CC[NH2+]C1 ZINC000398362314 386816784 /nfs/dbraw/zinc/81/67/84/386816784.db2.gz NEEPGPNZGFOVSK-SNVBAGLBSA-N 1 0 224.735 2.039 10 0 BEAERO C[C@H]([NH2+]CCC[S@@](C)=O)C1C(C)(C)C1(C)C ZINC000336744271 386861457 /nfs/dbraw/zinc/86/14/57/386861457.db2.gz QAJXSKHYYVIAFB-MGPLVRAMSA-N 1 0 245.432 2.415 10 0 BEAERO Cc1ccnc(N(CCO)Cc2ccsc2)c1 ZINC000301836228 386882988 /nfs/dbraw/zinc/88/29/88/386882988.db2.gz LRFVNCYSLAZZMH-UHFFFAOYSA-N 1 0 248.351 2.450 10 0 BEAERO Cc1[nH]c2c(cc(Br)cc2N)[nH+]1 ZINC000084499472 386944601 /nfs/dbraw/zinc/94/46/01/386944601.db2.gz SAYQPFYJLKZLHP-UHFFFAOYSA-N 1 0 226.077 2.216 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000082327525 386944878 /nfs/dbraw/zinc/94/48/78/386944878.db2.gz GQBQSJMZBRDDAB-ZWNOBZJWSA-N 1 0 240.347 2.125 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000082327526 386945321 /nfs/dbraw/zinc/94/53/21/386945321.db2.gz GQBQSJMZBRDDAB-MFKMUULPSA-N 1 0 240.347 2.125 10 0 BEAERO CC[C@@H]([NH2+]CCn1cc(C)cn1)C1CCC1 ZINC000322246880 259702636 /nfs/dbraw/zinc/70/26/36/259702636.db2.gz BRCBCLKQDXNAFZ-CYBMUJFWSA-N 1 0 221.348 2.360 10 0 BEAERO [NH3+][C@@H](c1cncs1)[C@@H]1CCCCS1 ZINC000575463413 387043161 /nfs/dbraw/zinc/04/31/61/387043161.db2.gz ZYQAZJQTIVOYHB-IONNQARKSA-N 1 0 214.359 2.429 10 0 BEAERO Cc1ncc(C2([NH3+])CCSCC2)s1 ZINC000575579042 387046364 /nfs/dbraw/zinc/04/63/64/387046364.db2.gz VWRXIVFEWSBTOE-UHFFFAOYSA-N 1 0 214.359 2.133 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000227836416 387058690 /nfs/dbraw/zinc/05/86/90/387058690.db2.gz YPVLVAUJDPRDRC-BXKDBHETSA-N 1 0 236.315 2.080 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])Cc1coc(Br)c1 ZINC000575582672 387059134 /nfs/dbraw/zinc/05/91/34/387059134.db2.gz QHCIJQLMDLPJJU-IMTBSYHQSA-N 1 0 230.105 2.322 10 0 BEAERO CSC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000228022159 387059727 /nfs/dbraw/zinc/05/97/27/387059727.db2.gz FYAFLHMTXFCZTF-AXFHLTTASA-N 1 0 241.400 2.285 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1c(F)ccc(F)c1Cl ZINC000575457923 387022210 /nfs/dbraw/zinc/02/22/10/387022210.db2.gz MHTLCJWZQUAPOO-CLZZGJSISA-N 1 0 203.619 2.433 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1CCc2sccc2C1 ZINC000020072144 387071798 /nfs/dbraw/zinc/07/17/98/387071798.db2.gz MJNGTBPRJTZTNU-LBPRGKRZSA-N 1 0 238.400 2.480 10 0 BEAERO CCCC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186197818 387077269 /nfs/dbraw/zinc/07/72/69/387077269.db2.gz DIYVQXIYUMFIAI-OLZOCXBDSA-N 1 0 241.375 2.350 10 0 BEAERO COC[C@](C)(CCO)[NH2+]CC1CCCCCC1 ZINC000119098569 387094666 /nfs/dbraw/zinc/09/46/66/387094666.db2.gz NPUZRHFTUOYOCB-AWEZNQCLSA-N 1 0 243.391 2.334 10 0 BEAERO CC(=O)Oc1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575437488 387106682 /nfs/dbraw/zinc/10/66/82/387106682.db2.gz HEXLVHWSJNKULT-JTQLQIEISA-N 1 0 229.226 2.267 10 0 BEAERO COc1cccc(OC)c1[C@H]([NH3+])CC(F)F ZINC000575437210 387106838 /nfs/dbraw/zinc/10/68/38/387106838.db2.gz AQIAKWHMZKUKOR-SSDOTTSWSA-N 1 0 231.242 2.359 10 0 BEAERO CC(C)[C@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186513921 387107047 /nfs/dbraw/zinc/10/70/47/387107047.db2.gz WTCXUEUOEVZYJJ-NWDGAFQWSA-N 1 0 238.375 2.022 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])CC(F)F ZINC000575437692 387108881 /nfs/dbraw/zinc/10/88/81/387108881.db2.gz OYHRJXMVWXCXGI-QMMMGPOBSA-N 1 0 219.206 2.489 10 0 BEAERO COC(=O)c1cccc([C@@H]([NH3+])CC(F)F)c1 ZINC000575437665 387109463 /nfs/dbraw/zinc/10/94/63/387109463.db2.gz MZKJYUWRZMYROW-VIFPVBQESA-N 1 0 229.226 2.128 10 0 BEAERO COc1ccc([C@H]([NH3+])CC(F)F)cc1 ZINC000575437804 387111439 /nfs/dbraw/zinc/11/14/39/387111439.db2.gz VDLFOAWKHJTKDK-SECBINFHSA-N 1 0 201.216 2.350 10 0 BEAERO COc1cc(C)cc(OC)c1[C@H]([NH3+])CCF ZINC000575439311 387123059 /nfs/dbraw/zinc/12/30/59/387123059.db2.gz RGPNZQWAWLHLEK-SECBINFHSA-N 1 0 227.279 2.372 10 0 BEAERO COc1ccc([C@@H]([NH3+])CCF)cc1F ZINC000575439487 387124025 /nfs/dbraw/zinc/12/40/25/387124025.db2.gz APFSVZOZIMHYCE-VIFPVBQESA-N 1 0 201.216 2.194 10 0 BEAERO C[C@@H]1CCCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000335029686 387124756 /nfs/dbraw/zinc/12/47/56/387124756.db2.gz PKGHIDSDSPDIOI-TZMCWYRMSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H]1CCCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000335029685 387125031 /nfs/dbraw/zinc/12/50/31/387125031.db2.gz PKGHIDSDSPDIOI-OCCSQVGLSA-N 1 0 238.375 2.167 10 0 BEAERO COc1cc([C@H]([NH3+])CCF)ccc1F ZINC000575440285 387127851 /nfs/dbraw/zinc/12/78/51/387127851.db2.gz ZADUDYGEVCGTMY-SECBINFHSA-N 1 0 201.216 2.194 10 0 BEAERO COCC[NH+](CCOC)[C@H]1CCCC[C@@H]1C ZINC000120006984 387147377 /nfs/dbraw/zinc/14/73/77/387147377.db2.gz DVSBZUAKWISLKF-STQMWFEESA-N 1 0 229.364 2.160 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])CN1CC=C(Cl)Cl ZINC000575480109 387169182 /nfs/dbraw/zinc/16/91/82/387169182.db2.gz HDHFLOPSYGJJEA-HTQZYQBOSA-N 1 0 223.147 2.117 10 0 BEAERO CN(C)c1ccc([C@@H]2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000536956007 387169753 /nfs/dbraw/zinc/16/97/53/387169753.db2.gz SUULOWFOZXNGHD-FPMFFAJLSA-N 1 0 216.328 2.076 10 0 BEAERO c1ccc([C@@]23CC[N@@H+](C4CC4)C[C@@H]2O3)cc1 ZINC000536957574 387171287 /nfs/dbraw/zinc/17/12/87/387171287.db2.gz BXENOLFXUWXSMX-KBPBESRZSA-N 1 0 215.296 2.149 10 0 BEAERO Cc1cc(N2CC[NH+](CC3CCCC3)CC2)n[nH]1 ZINC000187204382 387179991 /nfs/dbraw/zinc/17/99/91/387179991.db2.gz JLGPBYFWUIHTTK-UHFFFAOYSA-N 1 0 248.374 2.030 10 0 BEAERO Cn1cc(Br)c([C@@H]([NH3+])C(C)(C)C)n1 ZINC000575482087 387181991 /nfs/dbraw/zinc/18/19/91/387181991.db2.gz JGIXOJODYQAWIV-MRVPVSSYSA-N 1 0 246.152 2.229 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CS1 ZINC000575483062 387185858 /nfs/dbraw/zinc/18/58/58/387185858.db2.gz NPMQOHYXCCCIRN-RNFRBKRXSA-N 1 0 207.289 2.268 10 0 BEAERO c1nc2cnccn2c1C[NH2+]CCC1=CCCC1 ZINC000120142458 387188979 /nfs/dbraw/zinc/18/89/79/387188979.db2.gz PFHZVFIOWFFVGR-UHFFFAOYSA-N 1 0 242.326 2.319 10 0 BEAERO COc1cc(OC)cc([C@@H]([NH3+])CCF)c1 ZINC000575440477 387134329 /nfs/dbraw/zinc/13/43/29/387134329.db2.gz XMWAHAUHCUAEEB-NSHDSACASA-N 1 0 213.252 2.063 10 0 BEAERO CC(C)=C[C@H]([NH3+])c1nn(C)cc1Br ZINC000575483245 387202972 /nfs/dbraw/zinc/20/29/72/387202972.db2.gz OXLCPSMGFPJNPL-QMMMGPOBSA-N 1 0 244.136 2.149 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1ccsc1Br ZINC000575593172 387224166 /nfs/dbraw/zinc/22/41/66/387224166.db2.gz YEVMDMLJNQTYRA-NKWVEPMBSA-N 1 0 248.145 2.299 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CC2(C)CCC2)CN1C1CC1 ZINC000120415864 387244967 /nfs/dbraw/zinc/24/49/67/387244967.db2.gz GUFYQJIFEHJQSN-NEPJUHHUSA-N 1 0 222.376 2.391 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c(C)n1 ZINC000187495984 387200313 /nfs/dbraw/zinc/20/03/13/387200313.db2.gz NAIFCSMVIOXLCB-JSGCOSHPSA-N 1 0 234.343 2.356 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)c(C)n1 ZINC000187496042 387200782 /nfs/dbraw/zinc/20/07/82/387200782.db2.gz NAIFCSMVIOXLCB-TZMCWYRMSA-N 1 0 234.343 2.356 10 0 BEAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@H]1C)[C@H]1C[C@H]1C ZINC000321491412 387258434 /nfs/dbraw/zinc/25/84/34/387258434.db2.gz KKJCFKVELWVUIF-NAWOPXAZSA-N 1 0 211.349 2.172 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000231673321 387277691 /nfs/dbraw/zinc/27/76/91/387277691.db2.gz VDHPMRJHNOXTAR-ZIAGYGMSSA-N 1 0 246.354 2.324 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCn1ccnc1 ZINC000285707786 387281869 /nfs/dbraw/zinc/28/18/69/387281869.db2.gz PJMATPSIJIWKCB-NWDGAFQWSA-N 1 0 225.311 2.001 10 0 BEAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000353896107 387291841 /nfs/dbraw/zinc/29/18/41/387291841.db2.gz DWODXIZWHYBWHC-KBPBESRZSA-N 1 0 245.322 2.458 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000392867398 387294197 /nfs/dbraw/zinc/29/41/97/387294197.db2.gz NTYQOZGBTLJTHR-TUAOUCFPSA-N 1 0 238.375 2.212 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392879439 387295259 /nfs/dbraw/zinc/29/52/59/387295259.db2.gz UPOFLCMIVXTJDB-FVCCEPFGSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392941792 387303283 /nfs/dbraw/zinc/30/32/83/387303283.db2.gz PXJYNBKDIWNSIA-NZEXEKPDSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160574238 387306242 /nfs/dbraw/zinc/30/62/42/387306242.db2.gz QPOJDJFRQPEENE-OIBJUYFYSA-N 1 0 241.132 2.342 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@H]1C[C@@H]1C ZINC000321875607 387309419 /nfs/dbraw/zinc/30/94/19/387309419.db2.gz IFNOXDMKDIZDQD-USZNOCQGSA-N 1 0 244.342 2.424 10 0 BEAERO C[NH2+][C@@H]1CO[C@H](c2ccsc2Cl)C1 ZINC000575507724 387381370 /nfs/dbraw/zinc/38/13/70/387381370.db2.gz MPYMIAQNRZEOLN-XPUUQOCRSA-N 1 0 217.721 2.451 10 0 BEAERO C[C@@]1(C(=O)NCc2ccccc2)CCCC[C@H]1[NH3+] ZINC000575513250 387384925 /nfs/dbraw/zinc/38/49/25/387384925.db2.gz HJPPRGKXVHWXBX-UKRRQHHQSA-N 1 0 246.354 2.210 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1c(C)cnn1C ZINC000286587167 387331529 /nfs/dbraw/zinc/33/15/29/387331529.db2.gz QMORHTPBLQRCHZ-QWRGUYRKSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12CC(=O)CO2 ZINC000575499343 387337496 /nfs/dbraw/zinc/33/74/96/387337496.db2.gz FNSOKCDQOJPIFH-DOMZBBRYSA-N 1 0 245.322 2.009 10 0 BEAERO C[C@]1(c2ccc(Br)cn2)CC[NH2+]1 ZINC000575499755 387344371 /nfs/dbraw/zinc/34/43/71/387344371.db2.gz OOLVFZOSZNRFAX-SECBINFHSA-N 1 0 227.105 2.053 10 0 BEAERO F[C@]1(c2cncs2)CCC[NH2+]CC1 ZINC000575518135 387437042 /nfs/dbraw/zinc/43/70/42/387437042.db2.gz LJZRFXCAGDEMPQ-SECBINFHSA-N 1 0 200.282 2.081 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000037804963 387438542 /nfs/dbraw/zinc/43/85/42/387438542.db2.gz MXZWVFYJMPJSHC-LLVKDONJSA-N 1 0 240.734 2.036 10 0 BEAERO C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000575520134 387444648 /nfs/dbraw/zinc/44/46/48/387444648.db2.gz GCZLZPNSJNQZIF-UHFFFAOYSA-N 1 0 236.059 2.447 10 0 BEAERO CCOc1cc(F)c(C[NH3+])c(OCC)c1 ZINC000575721687 387445244 /nfs/dbraw/zinc/44/52/44/387445244.db2.gz RBVYEEHTZOVQOW-UHFFFAOYSA-N 1 0 213.252 2.082 10 0 BEAERO CSC1(C[NH2+]C[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000304276694 387457795 /nfs/dbraw/zinc/45/77/95/387457795.db2.gz LNEXPTWEUYEASQ-RYUDHWBXSA-N 1 0 243.416 2.413 10 0 BEAERO CC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000373952985 387406094 /nfs/dbraw/zinc/40/60/94/387406094.db2.gz AEXIKMFZGIGXKS-VHSXEESVSA-N 1 0 226.345 2.051 10 0 BEAERO CC(=O)O[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1[NH+](C)C ZINC000584626962 387503956 /nfs/dbraw/zinc/50/39/56/387503956.db2.gz VEPCGHSDXHQQHG-MQYQWHSLSA-N 1 0 239.359 2.449 10 0 BEAERO CC(=O)O[C@H]1C[C@H]2CCCC[C@H]2C[C@@H]1[NH+](C)C ZINC000584626961 387504190 /nfs/dbraw/zinc/50/41/90/387504190.db2.gz VEPCGHSDXHQQHG-CRWXNKLISA-N 1 0 239.359 2.449 10 0 BEAERO CC[C@](O)(c1cccc(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000584635031 387506584 /nfs/dbraw/zinc/50/65/84/387506584.db2.gz IQRCDMKTJPPCPO-HIFRSBDPSA-N 1 0 249.354 2.245 10 0 BEAERO CC[C@@](O)(c1cccc(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000584635029 387506632 /nfs/dbraw/zinc/50/66/32/387506632.db2.gz IQRCDMKTJPPCPO-DZGCQCFKSA-N 1 0 249.354 2.245 10 0 BEAERO CCOC[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000122371003 387515375 /nfs/dbraw/zinc/51/53/75/387515375.db2.gz RQUHBKWTKCADBJ-CMPLNLGQSA-N 1 0 221.300 2.135 10 0 BEAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000396694038 387485004 /nfs/dbraw/zinc/48/50/04/387485004.db2.gz IYBFKIZBJQQLPV-SRVKXCTJSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000396696115 387485481 /nfs/dbraw/zinc/48/54/81/387485481.db2.gz FATWZOKLUVMXLT-LEWSCRJBSA-N 1 0 222.376 2.295 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1ccsc1Br ZINC000575541160 387585563 /nfs/dbraw/zinc/58/55/63/387585563.db2.gz BLVZGMIQNCKDBP-RITPCOANSA-N 1 0 218.119 2.325 10 0 BEAERO CCCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000123621132 387588518 /nfs/dbraw/zinc/58/85/18/387588518.db2.gz CTYAPNOFBWFUBH-GFCCVEGCSA-N 1 0 243.395 2.062 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000124535514 387621965 /nfs/dbraw/zinc/62/19/65/387621965.db2.gz KMHYOVZPJHRSBB-KCJUWKMLSA-N 1 0 238.356 2.125 10 0 BEAERO C[NH2+][C@@H]1COC[C@@H]1c1ccsc1Cl ZINC000575531549 387549092 /nfs/dbraw/zinc/54/90/92/387549092.db2.gz PUUDVCQDBAEHGP-HTQZYQBOSA-N 1 0 217.721 2.103 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1ccccc1OC ZINC000119409199 387555399 /nfs/dbraw/zinc/55/53/99/387555399.db2.gz SUEPVVVIJDOPOD-AWEZNQCLSA-N 1 0 237.343 2.288 10 0 BEAERO C[C@@H]1C[NH2+][C@]2(CC[C@@H](C)SC2)S1 ZINC000575533703 387556097 /nfs/dbraw/zinc/55/60/97/387556097.db2.gz DYYLPPORJHSOEM-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1nnc2n1CCCCC2 ZINC000037140743 387560450 /nfs/dbraw/zinc/56/04/50/387560450.db2.gz NTNKWPWOJOATRH-QWRGUYRKSA-N 1 0 248.374 2.454 10 0 BEAERO CC(C)CC[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152384 387560461 /nfs/dbraw/zinc/56/04/61/387560461.db2.gz STAYCYMBBIVQBW-PNESKVBLSA-N 1 0 240.391 2.445 10 0 BEAERO CCC[C@H](C)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152056 387560538 /nfs/dbraw/zinc/56/05/38/387560538.db2.gz ONQUEAYYUDJTCW-UNXYVOJBSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000035206466 387561721 /nfs/dbraw/zinc/56/17/21/387561721.db2.gz IOEJHQFTEMCYEB-WOPDTQHZSA-N 1 0 249.358 2.035 10 0 BEAERO COCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000124699743 387627517 /nfs/dbraw/zinc/62/75/17/387627517.db2.gz KWOSZNMADUODDM-AVGNSLFASA-N 1 0 229.364 2.062 10 0 BEAERO [NH3+][C@@H]1C/C(=C\Br)C12CCC2 ZINC000575547196 387637571 /nfs/dbraw/zinc/63/75/71/387637571.db2.gz YBJYMIRMYOKKNI-WEWAHIQMSA-N 1 0 202.095 2.167 10 0 BEAERO C[C@]([NH3+])(c1ccsc1)c1ccns1 ZINC000575548507 387645149 /nfs/dbraw/zinc/64/51/49/387645149.db2.gz DYMIDKYASAWHBD-VIFPVBQESA-N 1 0 210.327 2.427 10 0 BEAERO [NH3+]C1(c2ccc(Cl)s2)CSC1 ZINC000575549093 387647177 /nfs/dbraw/zinc/64/71/77/387647177.db2.gz HNYSBTKCNJREPD-UHFFFAOYSA-N 1 0 205.735 2.302 10 0 BEAERO C[C@@]([NH3+])(c1ccsc1)c1cncs1 ZINC000575549014 387648629 /nfs/dbraw/zinc/64/86/29/387648629.db2.gz GDVRZSZNYDCVSB-SECBINFHSA-N 1 0 210.327 2.427 10 0 BEAERO C[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000643491394 387665638 /nfs/dbraw/zinc/66/56/38/387665638.db2.gz IFZHQBOGAVOCSK-NXEZZACHSA-N 1 0 220.307 2.009 10 0 BEAERO CC[C@H]1CCC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000305944876 387668469 /nfs/dbraw/zinc/66/84/69/387668469.db2.gz MBNQWKUTDFQJBU-NSHDSACASA-N 1 0 248.326 2.243 10 0 BEAERO CC[C@H]1CCCC[C@H]1[NH2+]CCCn1ccnn1 ZINC000126432368 387682010 /nfs/dbraw/zinc/68/20/10/387682010.db2.gz NYQTZFGHJZBCGB-QWHCGFSZSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000126431824 387682901 /nfs/dbraw/zinc/68/29/01/387682901.db2.gz NYQTZFGHJZBCGB-STQMWFEESA-N 1 0 236.363 2.227 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C)C2)n1 ZINC000128455571 387747020 /nfs/dbraw/zinc/74/70/20/387747020.db2.gz CDDDYVIVJAZTLN-ONGXEEELSA-N 1 0 220.316 2.374 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(c2cncs2)CS1 ZINC000575571853 387747194 /nfs/dbraw/zinc/74/71/94/387747194.db2.gz PJDQOHYYRHKXJM-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1CS[C@H](c2ccncc2Cl)N1 ZINC000575557449 387699043 /nfs/dbraw/zinc/69/90/43/387699043.db2.gz UOQOFEGMZFVVKM-HZGVNTEJSA-N 1 0 214.721 2.459 10 0 BEAERO C/C=C/[C@H]([NH3+])c1ccc(Br)cn1 ZINC000575562940 387703733 /nfs/dbraw/zinc/70/37/33/387703733.db2.gz GMOAOUXZVICNMQ-SGJFDWMWSA-N 1 0 227.105 2.420 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CCCC2(C)C)c1 ZINC000127253840 387708279 /nfs/dbraw/zinc/70/82/79/387708279.db2.gz GLYOMVPPPOZQNC-LBPRGKRZSA-N 1 0 221.348 2.360 10 0 BEAERO C[C@@H]1COC[C@@]1([NH3+])c1ccsc1Cl ZINC000575573300 387755407 /nfs/dbraw/zinc/75/54/07/387755407.db2.gz WSVOSOPBGOYRHM-MUWHJKNJSA-N 1 0 217.721 2.222 10 0 BEAERO Cc1ncc([C@]2([NH3+])CS[C@@H](C)C2)s1 ZINC000575573105 387755424 /nfs/dbraw/zinc/75/54/24/387755424.db2.gz SRQJFTXUKPYILB-IMTBSYHQSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@@H](CF)Nc1cc(N)[nH+]cc1Br ZINC000575568732 387730308 /nfs/dbraw/zinc/73/03/08/387730308.db2.gz AMACDHXDOOKYIH-YFKPBYRVSA-N 1 0 248.099 2.027 10 0 BEAERO C[C@@H]1SCCC[C@]1([NH3+])c1cscn1 ZINC000575566333 387734378 /nfs/dbraw/zinc/73/43/78/387734378.db2.gz ULXJXOJWLOJOLA-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO CC1([NH3+])CCN(C/C(Cl)=C/Cl)CC1 ZINC000575567466 387736771 /nfs/dbraw/zinc/73/67/71/387736771.db2.gz JXFPWBDNYZDJBR-VURMDHGXSA-N 1 0 223.147 2.119 10 0 BEAERO CC[C@]1(C)CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000129443184 387770759 /nfs/dbraw/zinc/77/07/59/387770759.db2.gz WFBLRHDJPRBAOJ-TZMCWYRMSA-N 1 0 238.375 2.025 10 0 BEAERO C[C@H](CC[NH2+][C@@H]1CCCNC1=O)c1ccccc1 ZINC000050395560 387793297 /nfs/dbraw/zinc/79/32/97/387793297.db2.gz SHCLVFNRVFDPDF-TZMCWYRMSA-N 1 0 246.354 2.048 10 0 BEAERO [NH3+]C[C@H](F)c1ccc(OC(F)F)cc1 ZINC000575623197 387806097 /nfs/dbraw/zinc/80/60/97/387806097.db2.gz TYEBXWQOVLGCCU-QMMMGPOBSA-N 1 0 205.179 2.257 10 0 BEAERO [NH3+]C[C@@H](F)c1ccccc1OC(F)F ZINC000575623202 387806696 /nfs/dbraw/zinc/80/66/96/387806696.db2.gz VNQSDZKIZQLAMU-SSDOTTSWSA-N 1 0 205.179 2.257 10 0 BEAERO [NH3+]C[C@H](F)c1ccccc1OC(F)F ZINC000575623203 387807052 /nfs/dbraw/zinc/80/70/52/387807052.db2.gz VNQSDZKIZQLAMU-ZETCQYMHSA-N 1 0 205.179 2.257 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1C)C(N)=O ZINC000264898278 387820321 /nfs/dbraw/zinc/82/03/21/387820321.db2.gz VGTBPKKMYZCGST-YPMHNXCESA-N 1 0 234.343 2.218 10 0 BEAERO Cc1ccc(C)c(CN(C)C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000057535847 387838158 /nfs/dbraw/zinc/83/81/58/387838158.db2.gz LQDRIUBXHFBLAC-AWEZNQCLSA-N 1 0 246.354 2.014 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000432990398 387848156 /nfs/dbraw/zinc/84/81/56/387848156.db2.gz FGNSEABBJXRBCJ-BPCQOVAHSA-N 1 0 248.374 2.275 10 0 BEAERO Cc1cc(C)c(O[C@H](C)C2=[NH+]CCN2)c(C)c1 ZINC000027707709 177869363 /nfs/dbraw/zinc/86/93/63/177869363.db2.gz ROBYBMQOIPJUIR-GFCCVEGCSA-N 1 0 232.327 2.381 10 0 BEAERO CCCCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195068414 387906244 /nfs/dbraw/zinc/90/62/44/387906244.db2.gz USECLDCNNDVVKX-ZDUSSCGKSA-N 1 0 238.375 2.263 10 0 BEAERO [NH3+][C@@H](Cc1ccsc1)c1ccccn1 ZINC000053817021 387915176 /nfs/dbraw/zinc/91/51/76/387915176.db2.gz KDFIXDMDMODVJL-JTQLQIEISA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@H](Cc1ccsc1)c1ccccn1 ZINC000053817020 387915369 /nfs/dbraw/zinc/91/53/69/387915369.db2.gz KDFIXDMDMODVJL-SNVBAGLBSA-N 1 0 204.298 2.386 10 0 BEAERO Cc1occc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000321014199 387930751 /nfs/dbraw/zinc/93/07/51/387930751.db2.gz UZJWFYOFFGUYBS-CHWSQXEVSA-N 1 0 223.316 2.229 10 0 BEAERO Cc1occc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000321042140 387936565 /nfs/dbraw/zinc/93/65/65/387936565.db2.gz ZORWYCLLMUJFGW-STQMWFEESA-N 1 0 223.316 2.229 10 0 BEAERO COCC[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000195319096 387920538 /nfs/dbraw/zinc/92/05/38/387920538.db2.gz WWEOMLQILIAJLE-UHFFFAOYSA-N 1 0 240.372 2.277 10 0 BEAERO COc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396634943 387926764 /nfs/dbraw/zinc/92/67/64/387926764.db2.gz KCSMBQDUQCVQRJ-HUBLWGQQSA-N 1 0 248.370 2.486 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCN[C@@H]1C)C1CCCC1 ZINC000396646589 387928579 /nfs/dbraw/zinc/92/85/79/387928579.db2.gz CHESCNUPURHXCY-LOWVWBTDSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000245513947 387954291 /nfs/dbraw/zinc/95/42/91/387954291.db2.gz DXZPDHYXZIXDHB-UPJWGTAASA-N 1 0 248.374 2.009 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1=CCCC1 ZINC000645802694 387940736 /nfs/dbraw/zinc/94/07/36/387940736.db2.gz GGRPFXKIXUMYMC-GXTWGEPZSA-N 1 0 220.360 2.265 10 0 BEAERO CC[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245641064 387970065 /nfs/dbraw/zinc/97/00/65/387970065.db2.gz DKJRBRZPFMKRAB-KCPJHIHWSA-N 1 0 231.339 2.377 10 0 BEAERO C[NH2+][C@H]1CC[S@](=O)c2c(Cl)cccc21 ZINC000040974072 387977907 /nfs/dbraw/zinc/97/79/07/387977907.db2.gz DBJCJGYVONEIKQ-LKFCYVNXSA-N 1 0 229.732 2.112 10 0 BEAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC000245881264 387990704 /nfs/dbraw/zinc/99/07/04/387990704.db2.gz UEUBQGXMGAKJPB-CHWSQXEVSA-N 1 0 240.391 2.413 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H]1C1CCC1 ZINC000645923285 387983327 /nfs/dbraw/zinc/98/33/27/387983327.db2.gz PYTRUUBTXHWGIY-OLZOCXBDSA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C1CCC1 ZINC000645923284 387983351 /nfs/dbraw/zinc/98/33/51/387983351.db2.gz PYTRUUBTXHWGIY-CHWSQXEVSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@H]2CCn3ccnc32)C[C@@H](C)O1 ZINC000453204963 388009710 /nfs/dbraw/zinc/00/97/10/388009710.db2.gz CEPCUUDCXKPSLD-WZRBSPASSA-N 1 0 249.358 2.121 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C=C1CCC1 ZINC000246236123 388022564 /nfs/dbraw/zinc/02/25/64/388022564.db2.gz YPZBAZTVLKPCSU-KBPBESRZSA-N 1 0 248.370 2.182 10 0 BEAERO CCc1nnc(C[N@H+](C)C2CCCCC2)n1C ZINC000195007748 388081974 /nfs/dbraw/zinc/08/19/74/388081974.db2.gz QMGQRJCVMNEASZ-UHFFFAOYSA-N 1 0 236.363 2.142 10 0 BEAERO CCc1nnc(C[N@@H+](CC)C2CCCC2)n1C ZINC000195082566 388096651 /nfs/dbraw/zinc/09/66/51/388096651.db2.gz JODJJABDXNZXNE-UHFFFAOYSA-N 1 0 236.363 2.142 10 0 BEAERO Cc1[nH]c2ccccc2c1[C@@H]1COCC[NH2+]1 ZINC000071519756 388097378 /nfs/dbraw/zinc/09/73/78/388097378.db2.gz CEJANMLRGVSCMM-LBPRGKRZSA-N 1 0 216.284 2.137 10 0 BEAERO CC[N@@H+](Cc1nnc(C2CC2)n1C)CC(C)C ZINC000195430828 388163716 /nfs/dbraw/zinc/16/37/16/388163716.db2.gz BKXQLNVNZKKNCP-UHFFFAOYSA-N 1 0 236.363 2.170 10 0 BEAERO CCn1c(C)nnc1C[N@H+](CC)[C@@H](C)C(C)C ZINC000195432704 388164099 /nfs/dbraw/zinc/16/40/99/388164099.db2.gz WMXTVXQUEJPGPP-NSHDSACASA-N 1 0 238.379 2.473 10 0 BEAERO C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1nnc(C2CC2)o1 ZINC000646092164 388140537 /nfs/dbraw/zinc/14/05/37/388140537.db2.gz MUVBCVPENJMJBA-VWYCJHECSA-N 1 0 233.315 2.225 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000165036091 388250181 /nfs/dbraw/zinc/25/01/81/388250181.db2.gz NBGGFFGTABLERX-SKDRFNHKSA-N 1 0 209.289 2.050 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1c(C)cc(C)cc1C ZINC000036779176 388261133 /nfs/dbraw/zinc/26/11/33/388261133.db2.gz ISJRURNCXLQADV-WCQYABFASA-N 1 0 207.317 2.383 10 0 BEAERO CCCCCN(CCCCC)C(=O)C1C[NH2+]C1 ZINC000091408292 256582687 /nfs/dbraw/zinc/58/26/87/256582687.db2.gz OEMDUNAMTPSGPF-UHFFFAOYSA-N 1 0 240.391 2.415 10 0 BEAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)CC)C1 ZINC000181119346 256587049 /nfs/dbraw/zinc/58/70/49/256587049.db2.gz JJMCZALUEREYPX-NWDGAFQWSA-N 1 0 226.364 2.166 10 0 BEAERO CC[C@H]([NH2+]CCn1cncn1)c1cccc(F)c1 ZINC000275895774 388345816 /nfs/dbraw/zinc/34/58/16/388345816.db2.gz RKLRODVIFSTSRG-ZDUSSCGKSA-N 1 0 248.305 2.158 10 0 BEAERO C[C@H]1C[C@@](F)(c2ccns2)CC[NH2+]1 ZINC000575515713 388348799 /nfs/dbraw/zinc/34/87/99/388348799.db2.gz SKSZESGHHBEOGW-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO F[C@H](c1cncs1)[C@H]1CCC[NH2+]C1 ZINC000575518685 388356034 /nfs/dbraw/zinc/35/60/34/388356034.db2.gz PXSPMWTXCOVOMF-CBAPKCEASA-N 1 0 200.282 2.153 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000291214530 388373835 /nfs/dbraw/zinc/37/38/35/388373835.db2.gz OKVCMMJQQOONPB-QMMMGPOBSA-N 1 0 231.290 2.492 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292940773 388384090 /nfs/dbraw/zinc/38/40/90/388384090.db2.gz IOZPJLLTGBHIMS-VIFPVBQESA-N 1 0 231.290 2.282 10 0 BEAERO c1nc2c([nH]1)[C@@H](c1c[nH]c3ccccc31)[NH2+]CC2 ZINC000067473241 388406186 /nfs/dbraw/zinc/40/61/86/388406186.db2.gz UZNPQKRCDLLMCU-CYBMUJFWSA-N 1 0 238.294 2.126 10 0 BEAERO CC(C)C[C@H](C)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000300974605 388396876 /nfs/dbraw/zinc/39/68/76/388396876.db2.gz SPVGDRSABDWKHF-JTQLQIEISA-N 1 0 224.352 2.154 10 0 BEAERO CC(C)(C)CCCn1cc(C(C)(C)[NH3+])nn1 ZINC000300869431 388398563 /nfs/dbraw/zinc/39/85/63/388398563.db2.gz NBXKOGCCDGVUPL-UHFFFAOYSA-N 1 0 224.352 2.298 10 0 BEAERO CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000322746748 388445663 /nfs/dbraw/zinc/44/56/63/388445663.db2.gz CTXWUJTXNVEHNC-GRYCIOLGSA-N 1 0 240.391 2.315 10 0 BEAERO CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000322746752 388446394 /nfs/dbraw/zinc/44/63/94/388446394.db2.gz CTXWUJTXNVEHNC-WOPDTQHZSA-N 1 0 240.391 2.315 10 0 BEAERO CC(C)(C)c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000634553605 388446677 /nfs/dbraw/zinc/44/66/77/388446677.db2.gz ANZARYBFAGZDLE-ZANVPECISA-N 1 0 235.331 2.008 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](N=c2[nH]c3ccccc3s2)C1 ZINC000335577399 388452141 /nfs/dbraw/zinc/45/21/41/388452141.db2.gz DMGPARMIMPQQPN-UWVGGRQHSA-N 1 0 247.367 2.258 10 0 BEAERO C[C@H](C[N@@H+]1C[C@H](C)C[C@@H](O)C1)C(C)(C)C ZINC000648862284 388472825 /nfs/dbraw/zinc/47/28/25/388472825.db2.gz KPRSSAJBUUBICV-IJLUTSLNSA-N 1 0 213.365 2.371 10 0 BEAERO c1cc2cc([C@@H]3[NH2+]CCc4nc[nH]c43)ccc2[nH]1 ZINC000067714093 388407359 /nfs/dbraw/zinc/40/73/59/388407359.db2.gz RRTWGHODAFUTHP-ZDUSSCGKSA-N 1 0 238.294 2.126 10 0 BEAERO CCc1csc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165760444 388411441 /nfs/dbraw/zinc/41/14/41/388411441.db2.gz ORRVUNUTKDHBSN-YUMQZZPRSA-N 1 0 213.350 2.243 10 0 BEAERO COCCn1c2ccccc2nc1[C@@H]([NH3+])C(C)C ZINC000040163881 388412418 /nfs/dbraw/zinc/41/24/18/388412418.db2.gz SDHOXYAMMNHNPP-ZDUSSCGKSA-N 1 0 247.342 2.339 10 0 BEAERO Cc1nc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)sc1C ZINC000296451158 388424348 /nfs/dbraw/zinc/42/43/48/388424348.db2.gz WZQDCHRLHHOICJ-GXSJLCMTSA-N 1 0 240.372 2.105 10 0 BEAERO CCc1cc(NC[C@@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000307773960 388425936 /nfs/dbraw/zinc/42/59/36/388425936.db2.gz GGEDGAAANSWFTC-GWCFXTLKSA-N 1 0 220.316 2.217 10 0 BEAERO COc1ncccc1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322334495 388432076 /nfs/dbraw/zinc/43/20/76/388432076.db2.gz PPHOGBXIRGDWAV-FOGDFJRCSA-N 1 0 220.316 2.224 10 0 BEAERO CC[C@H]([NH2+][C@H](CCOC)COC)[C@@H]1CC1(C)C ZINC000397645095 388486716 /nfs/dbraw/zinc/48/67/16/388486716.db2.gz ZKJNNLMOUBBDGL-AGIUHOORSA-N 1 0 243.391 2.452 10 0 BEAERO CC[C@H]([NH2+][C@H](CCOC)COC)[C@H]1CC1(C)C ZINC000397645099 388486830 /nfs/dbraw/zinc/48/68/30/388486830.db2.gz ZKJNNLMOUBBDGL-UPJWGTAASA-N 1 0 243.391 2.452 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)[C@@H]1CC1(C)C ZINC000397683083 388489292 /nfs/dbraw/zinc/48/92/92/388489292.db2.gz MLZZDDALAYEDRD-WOPDTQHZSA-N 1 0 240.391 2.268 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000245546902 388588116 /nfs/dbraw/zinc/58/81/16/388588116.db2.gz WUNMHMOMIAGRBW-YNEHKIRRSA-N 1 0 212.381 2.351 10 0 BEAERO C[C@](O)(C[NH3+])c1cc(Cl)ccc1Cl ZINC000055032569 388596592 /nfs/dbraw/zinc/59/65/92/388596592.db2.gz ITSXYMKLAXMFSJ-VIFPVBQESA-N 1 0 220.099 2.160 10 0 BEAERO CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218874591 256852284 /nfs/dbraw/zinc/85/22/84/256852284.db2.gz ACQNEANOMBZIEG-MNOVXSKESA-N 1 0 242.363 2.241 10 0 BEAERO c1nnsc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000328325146 388606650 /nfs/dbraw/zinc/60/66/50/388606650.db2.gz GADORJBAZXBDIN-UHFFFAOYSA-N 1 0 249.383 2.452 10 0 BEAERO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000107822032 388607718 /nfs/dbraw/zinc/60/77/18/388607718.db2.gz DYXZLKUYFDDIAN-AAEUAGOBSA-N 1 0 233.311 2.243 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCO[C@@H]1C ZINC000245903527 388609900 /nfs/dbraw/zinc/60/99/00/388609900.db2.gz BPKCLDJBSAMWQB-NFAWXSAZSA-N 1 0 249.354 2.359 10 0 BEAERO C[C@@H](C[NH3+])Nc1ncc(Cl)cc1Cl ZINC000082576052 388618304 /nfs/dbraw/zinc/61/83/04/388618304.db2.gz PKLKZADNYZKYHR-YFKPBYRVSA-N 1 0 220.103 2.148 10 0 BEAERO C[C@H](C[N@@H+]1CC[C@@H](CCO)C1)c1ccccc1 ZINC000357836589 388553437 /nfs/dbraw/zinc/55/34/37/388553437.db2.gz JECWUJWJFCJNGM-KGLIPLIRSA-N 1 0 233.355 2.494 10 0 BEAERO CC(C)[C@](C)(O)C[NH+]1CC2(C1)CCCC2 ZINC000364488244 388563928 /nfs/dbraw/zinc/56/39/28/388563928.db2.gz UFJDXPJDYNAWTB-GFCCVEGCSA-N 1 0 211.349 2.269 10 0 BEAERO [NH3+]Cc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)cc1 ZINC000364029102 388564168 /nfs/dbraw/zinc/56/41/68/388564168.db2.gz LUEUGGWVYWIYEJ-CQSZACIVSA-N 1 0 244.338 2.017 10 0 BEAERO CCCCC[C@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367625992 388565096 /nfs/dbraw/zinc/56/50/96/388565096.db2.gz MFPWQQDLXOINQX-ZDEQEGDKSA-N 1 0 211.349 2.437 10 0 BEAERO COCC(COC)[NH2+]CC1CCC(C)CC1 ZINC000385060655 388573476 /nfs/dbraw/zinc/57/34/76/388573476.db2.gz UGEAGGKPNXUYAF-UHFFFAOYSA-N 1 0 229.364 2.064 10 0 BEAERO CCSCCN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081568647 388584043 /nfs/dbraw/zinc/58/40/43/388584043.db2.gz OOKHIRSJTAITJJ-JTQLQIEISA-N 1 0 247.404 2.402 10 0 BEAERO CCC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245514133 388585643 /nfs/dbraw/zinc/58/56/43/388585643.db2.gz PEWYGBYEHUOAGR-JHJVBQTASA-N 1 0 240.391 2.412 10 0 BEAERO CC1(C)[C@H]([NH2+][C@H]2CCCSC2)[C@@H]2CCO[C@@H]21 ZINC000224708461 388669245 /nfs/dbraw/zinc/66/92/45/388669245.db2.gz LXYPTTHQSVDWMN-YFKTTZPYSA-N 1 0 241.400 2.285 10 0 BEAERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCO ZINC000125948427 388682846 /nfs/dbraw/zinc/68/28/46/388682846.db2.gz SYGCSLCUWKXXSN-NTMALXAHSA-N 1 0 225.719 2.325 10 0 BEAERO CCC[C@@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000189342782 388631855 /nfs/dbraw/zinc/63/18/55/388631855.db2.gz QRXZBDRMXJWFHI-OLZOCXBDSA-N 1 0 236.363 2.179 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246449946 388636294 /nfs/dbraw/zinc/63/62/94/388636294.db2.gz PEJYVBQJOCDYIZ-YRGRVCCFSA-N 1 0 224.392 2.493 10 0 BEAERO CCC[C@H](CC)[NH2+]CC[C@H](C)[S@](C)=O ZINC000125984876 388685260 /nfs/dbraw/zinc/68/52/60/388685260.db2.gz DQNFXCKEEIOOQG-COPLHBTASA-N 1 0 219.394 2.312 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000123963673 388658907 /nfs/dbraw/zinc/65/89/07/388658907.db2.gz QAGKQRWNIBVQLS-ZDUSSCGKSA-N 1 0 221.348 2.216 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248989461 388703329 /nfs/dbraw/zinc/70/33/29/388703329.db2.gz FNCJCGMMNBIAMA-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+][C@H]1CCc2ccccc2N[C@H]1OC(F)(F)F ZINC000521399920 388704297 /nfs/dbraw/zinc/70/42/97/388704297.db2.gz CARBKHQRJKPUBY-WPRPVWTQSA-N 1 0 246.232 2.235 10 0 BEAERO CC[C@H](CSC)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226238126 388712556 /nfs/dbraw/zinc/71/25/56/388712556.db2.gz GZSZBYZIRNBULT-GMTAPVOTSA-N 1 0 217.378 2.021 10 0 BEAERO C[C@@H](O)C(C)(C)[NH2+]Cc1cnc(C2CC2)s1 ZINC000127136466 388715720 /nfs/dbraw/zinc/71/57/20/388715720.db2.gz VVRBXQDSJDEUEJ-MRVPVSSYSA-N 1 0 240.372 2.270 10 0 BEAERO CCC[C@@H](C)[N@@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000249393370 388719421 /nfs/dbraw/zinc/71/94/21/388719421.db2.gz SDJRYDGGPMWAIU-KGLIPLIRSA-N 1 0 242.407 2.218 10 0 BEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@@H]1C ZINC000226722966 388727849 /nfs/dbraw/zinc/72/78/49/388727849.db2.gz CSIUTLIPMAZJBQ-AEJSXWLSSA-N 1 0 213.321 2.105 10 0 BEAERO CO[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C)c1 ZINC000229565991 388795214 /nfs/dbraw/zinc/79/52/14/388795214.db2.gz KWOABCBJTWKNBF-RYUDHWBXSA-N 1 0 206.289 2.369 10 0 BEAERO CCCOc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091524331 388764918 /nfs/dbraw/zinc/76/49/18/388764918.db2.gz KGLISRRIRWHZQX-UHFFFAOYSA-N 1 0 249.354 2.336 10 0 BEAERO C[C@H](CO)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000129343394 388833897 /nfs/dbraw/zinc/83/38/97/388833897.db2.gz MEMLWRYNGNUMRM-BDAKNGLRSA-N 1 0 225.357 2.268 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]CCc1nc(C)no1 ZINC000129385949 388836831 /nfs/dbraw/zinc/83/68/31/388836831.db2.gz SVFLSQYAAVGPHJ-GHMZBOCLSA-N 1 0 223.320 2.089 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]CC1(C(C)C)CC1 ZINC000232987170 388860799 /nfs/dbraw/zinc/86/07/99/388860799.db2.gz NLRZHZMTHIWIJX-ZDUSSCGKSA-N 1 0 243.391 2.190 10 0 BEAERO C[C@H]([NH3+])[C@H](O)c1cc2cscc2s1 ZINC000575479567 388861922 /nfs/dbraw/zinc/86/19/22/388861922.db2.gz ONLBEWOCDKPQME-CDUCUWFYSA-N 1 0 213.327 2.343 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229665030 388863555 /nfs/dbraw/zinc/86/35/55/388863555.db2.gz ODMVXTCDHWTLFC-GXFFZTMASA-N 1 0 230.311 2.435 10 0 BEAERO Cc1cc(-c2cnc(CC[NH3+])o2)ccc1F ZINC000011587016 177687407 /nfs/dbraw/zinc/68/74/07/177687407.db2.gz ZGEPHOAKOOMCBM-UHFFFAOYSA-N 1 0 220.247 2.290 10 0 BEAERO [NH3+]C[C@@H](O)c1cc(Cl)cc(Cl)c1F ZINC000575498070 388989641 /nfs/dbraw/zinc/98/96/41/388989641.db2.gz RCUOUBFAKCYOQV-SSDOTTSWSA-N 1 0 224.062 2.125 10 0 BEAERO C[C@@H]1[C@H]([NH3+])C[C@H]1c1cncc(Br)c1 ZINC000575500961 388990278 /nfs/dbraw/zinc/99/02/78/388990278.db2.gz WHDYDRNEWHVDSY-WQGWLQIFSA-N 1 0 241.132 2.295 10 0 BEAERO CC[C@H]([NH2+]CCn1ccnc1)C(C)(C)C ZINC000272000080 389027451 /nfs/dbraw/zinc/02/74/51/389027451.db2.gz HZRIPDGIKKOWGR-NSHDSACASA-N 1 0 209.337 2.297 10 0 BEAERO CCc1ccccc1N1CC[NH2+][C@H](CC)C1 ZINC000016944824 132323662 /nfs/dbraw/zinc/32/36/62/132323662.db2.gz ZNOMKNMKDZGWDF-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO Cc1cc[nH+]c(N2CCCC[C@H]2C)c1N ZINC000036245175 132341350 /nfs/dbraw/zinc/34/13/50/132341350.db2.gz UGIPVTSZEFJXDL-SNVBAGLBSA-N 1 0 205.305 2.351 10 0 BEAERO C[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000051399055 132360448 /nfs/dbraw/zinc/36/04/48/132360448.db2.gz AGUDRAZIZPSZHG-UHFFFAOYSA-N 1 0 219.332 2.037 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCCCC2)c1 ZINC000051578582 132361291 /nfs/dbraw/zinc/36/12/91/132361291.db2.gz QLYPLCHRCHPMCL-UHFFFAOYSA-N 1 0 204.317 2.444 10 0 BEAERO C(=C/c1ccccc1)\CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261568760 533353282 /nfs/dbraw/zinc/35/32/82/533353282.db2.gz JJNPIWZTIPLCKW-KBKYZLAFSA-N 1 0 242.366 2.241 10 0 BEAERO CC1(C)CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000061824409 1172705040 /nfs/dbraw/zinc/70/50/40/1172705040.db2.gz MAFFLNIQYLTCMJ-NWDGAFQWSA-N 1 0 238.375 2.153 10 0 BEAERO CC1(C)CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000061824407 1172705080 /nfs/dbraw/zinc/70/50/80/1172705080.db2.gz MAFFLNIQYLTCMJ-RYUDHWBXSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000084446588 322835177 /nfs/dbraw/zinc/83/51/77/322835177.db2.gz NCHPZZXNFVTJIM-DCBWTQNWSA-N 1 0 219.328 2.417 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cccc(F)c1 ZINC000084445961 322835191 /nfs/dbraw/zinc/83/51/91/322835191.db2.gz QVDCGDNGYOZRJT-TTXORMCVSA-N 1 0 223.291 2.247 10 0 BEAERO CC[C@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000084447277 322835541 /nfs/dbraw/zinc/83/55/41/322835541.db2.gz BAKLRYNOCJDAGL-UBHUBRDASA-N 1 0 219.328 2.498 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]CC2CC(O)C2)c(C)o1 ZINC000084447613 322836058 /nfs/dbraw/zinc/83/60/58/322836058.db2.gz DIBQOQFMBVYZIJ-OIKLOGQESA-N 1 0 223.316 2.318 10 0 BEAERO [NH3+]C[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000044532042 132224939 /nfs/dbraw/zinc/22/49/39/132224939.db2.gz CRJUUAAQLNJSCI-LBPRGKRZSA-N 1 0 241.338 2.410 10 0 BEAERO C[C@H]1CN(c2ccc3ccccc3n2)CC[NH2+]1 ZINC000052783330 132229057 /nfs/dbraw/zinc/22/90/57/132229057.db2.gz IPKIEXIYANRZNF-NSHDSACASA-N 1 0 227.311 2.033 10 0 BEAERO Cc1cc(N2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000302232365 132262269 /nfs/dbraw/zinc/26/22/69/132262269.db2.gz YLSGOIJRVFOYCL-QWRGUYRKSA-N 1 0 206.289 2.004 10 0 BEAERO Cc1ccc2nc(N3CC[NH2+]CC3)cc(C)c2c1 ZINC000040175198 132296120 /nfs/dbraw/zinc/29/61/20/132296120.db2.gz OKXPMVLIHWFVFW-UHFFFAOYSA-N 1 0 241.338 2.261 10 0 BEAERO O=C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000041720100 132297284 /nfs/dbraw/zinc/29/72/84/132297284.db2.gz LQUFWIREUMPYKS-UHFFFAOYSA-N 1 0 226.279 2.404 10 0 BEAERO Cc1nc(C(C)C)cc(N2CCC(C[NH3+])CC2)n1 ZINC000045954872 132299286 /nfs/dbraw/zinc/29/92/86/132299286.db2.gz NRMDLICIXRDTNX-UHFFFAOYSA-N 1 0 248.374 2.084 10 0 BEAERO Cc1ccc(C)c(N2CC[NH2+]C[C@H]2C)c1 ZINC000016944982 132323679 /nfs/dbraw/zinc/32/36/79/132323679.db2.gz YUIQDKVOJIBQIS-GFCCVEGCSA-N 1 0 204.317 2.102 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000016944974 132323693 /nfs/dbraw/zinc/32/36/93/132323693.db2.gz YMMRNIZVHOPMNK-GFCCVEGCSA-N 1 0 204.317 2.102 10 0 BEAERO CC[C@H]1CN(c2cc(C)ccc2C)CC[NH2+]1 ZINC000016944877 132323750 /nfs/dbraw/zinc/32/37/50/132323750.db2.gz HSGLDIHKSUESMC-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1ccc2c(c1)CCCN2C(=O)[C@H]([NH3+])C(C)C ZINC000019472150 132325239 /nfs/dbraw/zinc/32/52/39/132325239.db2.gz VUXDCHOJDURKLQ-CQSZACIVSA-N 1 0 246.354 2.258 10 0 BEAERO C[C@@H]1CCC[C@@H](C)N1c1cc[nH+]cc1N ZINC000019763620 132327014 /nfs/dbraw/zinc/32/70/14/132327014.db2.gz UFWQUIMPQFURDL-NXEZZACHSA-N 1 0 205.305 2.431 10 0 BEAERO CC[C@H]1CCCCN1c1cc[nH+]cc1N ZINC000019763606 132327080 /nfs/dbraw/zinc/32/70/80/132327080.db2.gz FERCYYOAWDLJSO-JTQLQIEISA-N 1 0 205.305 2.433 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(c2cc[nH+]cc2N)C1 ZINC000019763577 132327087 /nfs/dbraw/zinc/32/70/87/132327087.db2.gz GKXHFNKFALZPGR-NXEZZACHSA-N 1 0 205.305 2.146 10 0 BEAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCO[C@@H](C)C1 ZINC000019872131 132328561 /nfs/dbraw/zinc/32/85/61/132328561.db2.gz VLYUWILTSYZFCH-VHSXEESVSA-N 1 0 238.306 2.071 10 0 BEAERO C[C@H]1CCCN(c2ccccc2C(N)=[NH2+])C1 ZINC000020075826 132329617 /nfs/dbraw/zinc/32/96/17/132329617.db2.gz OSFAJLYCVVCHAZ-JTQLQIEISA-N 1 0 217.316 2.207 10 0 BEAERO CC(C)(C)[C@H]([NH3+])CN1c2ccccc2CCC1=O ZINC000023071424 132332900 /nfs/dbraw/zinc/33/29/00/132332900.db2.gz JFGRWDWCHYEISV-CYBMUJFWSA-N 1 0 246.354 2.339 10 0 BEAERO CC[NH2+][C@@H](C)c1ccccc1N1CCOCC1 ZINC000034837321 132337116 /nfs/dbraw/zinc/33/71/16/132337116.db2.gz WWAVYARWSAFGAJ-LBPRGKRZSA-N 1 0 234.343 2.194 10 0 BEAERO CCC[NH2+]Cc1ccccc1N1CCC(O)CC1 ZINC000034824093 132337136 /nfs/dbraw/zinc/33/71/36/132337136.db2.gz KGHDZELAOJJPQW-UHFFFAOYSA-N 1 0 248.370 2.147 10 0 BEAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCO[C@H](C)C1 ZINC000035438964 132338573 /nfs/dbraw/zinc/33/85/73/132338573.db2.gz VLYUWILTSYZFCH-NXEZZACHSA-N 1 0 238.306 2.071 10 0 BEAERO [NH3+]Cc1cccnc1N1CCc2sccc2C1 ZINC000035719750 132339170 /nfs/dbraw/zinc/33/91/70/132339170.db2.gz VRFRIIWBYZLAEZ-UHFFFAOYSA-N 1 0 245.351 2.165 10 0 BEAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCOC[C@H]1C ZINC000035776794 132339398 /nfs/dbraw/zinc/33/93/98/132339398.db2.gz BZIGBVYMZDKONY-NXEZZACHSA-N 1 0 238.306 2.071 10 0 BEAERO CC(C)[NH2+]Cc1ccccc1N1CCOC[C@@H]1C ZINC000035777772 132339459 /nfs/dbraw/zinc/33/94/59/132339459.db2.gz HKFBWUSTGYBPCC-ZDUSSCGKSA-N 1 0 248.370 2.410 10 0 BEAERO CC[C@@H]1CN(c2ccccc2[C@@H](C)[NH3+])CCO1 ZINC000036770080 132342783 /nfs/dbraw/zinc/34/27/83/132342783.db2.gz YSPDYLXFXPEEJA-VXGBXAGGSA-N 1 0 234.343 2.322 10 0 BEAERO C[NH2+]C1CCN(c2cc(C)ccc2OC)CC1 ZINC000037240779 132343851 /nfs/dbraw/zinc/34/38/51/132343851.db2.gz IJBIBMSIBNNVIW-UHFFFAOYSA-N 1 0 234.343 2.192 10 0 BEAERO Cc1ccc2c(c1)CCCN2[C@@H]1CCC[NH2+]C1 ZINC000037246747 132343902 /nfs/dbraw/zinc/34/39/02/132343902.db2.gz QTOKCVLCFGAUJI-CQSZACIVSA-N 1 0 230.355 2.500 10 0 BEAERO C[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000037241528 132343996 /nfs/dbraw/zinc/34/39/96/132343996.db2.gz WDYHKMRJLLMVPR-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO C[C@@H]([NH3+])CCN1CCCc2ccccc21 ZINC000037401873 132344178 /nfs/dbraw/zinc/34/41/78/132344178.db2.gz OGVZSOFOUJGXQY-LLVKDONJSA-N 1 0 204.317 2.177 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1cccc(Cl)c1F ZINC000038302445 132346000 /nfs/dbraw/zinc/34/60/00/132346000.db2.gz GFJABTPAYSWQOD-QMMMGPOBSA-N 1 0 228.698 2.277 10 0 BEAERO CC1(C)CN(c2ccc(F)cc2F)CC[NH2+]1 ZINC000041247051 132349760 /nfs/dbraw/zinc/34/97/60/132349760.db2.gz YQJUPVBCEOLZJN-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO C[C@@H]1CNc2ccccc2N1CC[NH+]1CCCC1 ZINC000041296543 132350009 /nfs/dbraw/zinc/35/00/09/132350009.db2.gz XGDCJPQETXDQDS-CYBMUJFWSA-N 1 0 245.370 2.403 10 0 BEAERO CCC1CCN(c2cc[nH+]cc2N)CC1 ZINC000042446536 132352304 /nfs/dbraw/zinc/35/23/04/132352304.db2.gz TUTIEWGBVCKGFP-UHFFFAOYSA-N 1 0 205.305 2.290 10 0 BEAERO CC[C@@H]1CCCCN1c1cc(N)cc[nH+]1 ZINC000043568847 132353353 /nfs/dbraw/zinc/35/33/53/132353353.db2.gz MKJBTUQYXQDBLW-LLVKDONJSA-N 1 0 205.305 2.433 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(F)c(F)c1F ZINC000049707802 132356969 /nfs/dbraw/zinc/35/69/69/132356969.db2.gz TVRQOMDZUIUQQO-SFYZADRCSA-N 1 0 244.260 2.420 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc2c(c1)CCC2 ZINC000049707873 132356930 /nfs/dbraw/zinc/35/69/30/132356930.db2.gz UYSCYMPYPAJQPE-BXUZGUMPSA-N 1 0 230.355 2.491 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(F)cc1 ZINC000049708570 132357270 /nfs/dbraw/zinc/35/72/70/132357270.db2.gz HJEJGOHUQQHZGB-KOLCDFICSA-N 1 0 208.280 2.142 10 0 BEAERO Cc1cccc(N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049709798 132357395 /nfs/dbraw/zinc/35/73/95/132357395.db2.gz ZRQCDSRAZUMEGP-NWDGAFQWSA-N 1 0 204.317 2.311 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1c(F)cccc1F ZINC000049710269 132357668 /nfs/dbraw/zinc/35/76/68/132357668.db2.gz ZQPOUAMFQVXYCF-IUCAKERBSA-N 1 0 226.270 2.281 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1c(F)cccc1F ZINC000049710264 132357709 /nfs/dbraw/zinc/35/77/09/132357709.db2.gz ZQPOUAMFQVXYCF-DTWKUNHWSA-N 1 0 226.270 2.281 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc(N(C)C)cc1 ZINC000049711481 132357756 /nfs/dbraw/zinc/35/77/56/132357756.db2.gz QDBHHJFGTHCFNB-NWDGAFQWSA-N 1 0 233.359 2.069 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(COC)c2)C[C@@H]1C ZINC000049713768 132357850 /nfs/dbraw/zinc/35/78/50/132357850.db2.gz YIONFGDAPQGTII-WFASDCNBSA-N 1 0 248.370 2.267 10 0 BEAERO COCc1cccc(N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049713778 132357855 /nfs/dbraw/zinc/35/78/55/132357855.db2.gz IGQZQBTXRAFRGH-AAEUAGOBSA-N 1 0 234.343 2.149 10 0 BEAERO COCc1ccccc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000049713789 132357865 /nfs/dbraw/zinc/35/78/65/132357865.db2.gz JPRDCEWVPQCSBG-AAEUAGOBSA-N 1 0 234.343 2.007 10 0 BEAERO COCc1ccccc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049713802 132357888 /nfs/dbraw/zinc/35/78/88/132357888.db2.gz JRPZDJPHNJTAOK-AAEUAGOBSA-N 1 0 234.343 2.149 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2COC)C[C@H]1C ZINC000049713791 132357905 /nfs/dbraw/zinc/35/79/05/132357905.db2.gz YJXMNQIOALPYQO-OCCSQVGLSA-N 1 0 248.370 2.267 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2COC)[C@@H](C)C1 ZINC000049713806 132357936 /nfs/dbraw/zinc/35/79/36/132357936.db2.gz XXHKGABVSVYIJD-JSGCOSHPSA-N 1 0 248.370 2.410 10 0 BEAERO COc1cc(F)ccc1N1CC[C@@H]([NH3+])C[C@H]1C ZINC000049714387 132358021 /nfs/dbraw/zinc/35/80/21/132358021.db2.gz WLNBSUJHRLLZIZ-MWLCHTKSSA-N 1 0 238.306 2.150 10 0 BEAERO CCOc1cccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000049714316 132358117 /nfs/dbraw/zinc/35/81/17/132358117.db2.gz KQTYPQPOMNCLQS-BXUZGUMPSA-N 1 0 234.343 2.259 10 0 BEAERO COc1cc(F)ccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049714377 132358145 /nfs/dbraw/zinc/35/81/45/132358145.db2.gz UKEZWTNXQKZPSY-KOLCDFICSA-N 1 0 238.306 2.008 10 0 BEAERO C[C@@H]1CCCN(c2ncccc2C[NH3+])[C@@H]1C ZINC000050562854 132359075 /nfs/dbraw/zinc/35/90/75/132359075.db2.gz AERQDUOJRDOIRT-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@@H]1CCCN(c2cc[nH+]cc2N)[C@@H]1C ZINC000050564064 132359102 /nfs/dbraw/zinc/35/91/02/132359102.db2.gz IYTMURYYHDVBKQ-NXEZZACHSA-N 1 0 205.305 2.289 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2ccnc(C[NH3+])c2)C1 ZINC000051396429 132360000 /nfs/dbraw/zinc/36/00/00/132360000.db2.gz BWNPSHPLZLDTET-QWRGUYRKSA-N 1 0 219.332 2.023 10 0 BEAERO C[C@@H]1CCCN(c2ccc(Cl)c(C[NH3+])n2)C1 ZINC000051396201 132360174 /nfs/dbraw/zinc/36/01/74/132360174.db2.gz ILIAPUZDTAHFCM-SECBINFHSA-N 1 0 239.750 2.430 10 0 BEAERO C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)nc1 ZINC000051399963 132360662 /nfs/dbraw/zinc/36/06/62/132360662.db2.gz FONHJKDLLMNSOX-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO Cc1ccc(N2CCC[C@@H]([NH3+])C2)cc1C ZINC000053303496 132362991 /nfs/dbraw/zinc/36/29/91/132362991.db2.gz MNWXHCBRQYYXFI-GFCCVEGCSA-N 1 0 204.317 2.231 10 0 BEAERO CC[NH2+]C[C@@H]1CCCCN1c1ccccn1 ZINC000053698187 132363077 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/nfs/dbraw/zinc/39/55/73/134395573.db2.gz SHRVLYGHMWYXHS-LBPRGKRZSA-N 1 0 224.348 2.149 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000227928620 134399574 /nfs/dbraw/zinc/39/95/74/134399574.db2.gz CECRODOVQCKKAK-SNVBAGLBSA-N 1 0 241.281 2.169 10 0 BEAERO CC1CCC(C[NH2+]CCn2cccn2)CC1 ZINC000063145166 134511067 /nfs/dbraw/zinc/51/10/67/134511067.db2.gz GTSYJCJFYLCRGA-UHFFFAOYSA-N 1 0 221.348 2.299 10 0 BEAERO CCOC(=O)C[N@H+](CC1CC1)C(C)(C)C ZINC000130733560 134622430 /nfs/dbraw/zinc/62/24/30/134622430.db2.gz UNKWHCYLGCMPHM-UHFFFAOYSA-N 1 0 213.321 2.060 10 0 BEAERO C[C@H](O)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000131181709 134627289 /nfs/dbraw/zinc/62/72/89/134627289.db2.gz DCIAXPKGXREKDB-IUCAKERBSA-N 1 0 225.357 2.268 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(C)(C)CC ZINC000049281875 134630765 /nfs/dbraw/zinc/63/07/65/134630765.db2.gz XWAQTJUDGGSCCL-MNOVXSKESA-N 1 0 228.380 2.315 10 0 BEAERO [NH2+]=C(NC1CC1)SC[C@H]1Cc2ccccc2O1 ZINC000155293652 134688876 /nfs/dbraw/zinc/68/88/76/134688876.db2.gz PKPHXZYNHYXZDK-LLVKDONJSA-N 1 0 248.351 2.410 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000134217255 134705291 /nfs/dbraw/zinc/70/52/91/134705291.db2.gz XDSDBDRLMKCVGO-BDAKNGLRSA-N 1 0 225.254 2.486 10 0 BEAERO C[C@@H](CC[NH3+])Nc1nc2ccccc2s1 ZINC000134272856 134706344 /nfs/dbraw/zinc/70/63/44/134706344.db2.gz GSPWOSNHNXSCGY-QMMMGPOBSA-N 1 0 221.329 2.446 10 0 BEAERO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CN(C)CCO1 ZINC000246428131 134932222 /nfs/dbraw/zinc/93/22/22/134932222.db2.gz NQVXTIRIECMQPS-IHRRRGAJSA-N 1 0 242.407 2.121 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCF ZINC000163177195 134977835 /nfs/dbraw/zinc/97/78/35/134977835.db2.gz SROBOSDYRGOIHC-FRRDWIJNSA-N 1 0 229.339 2.362 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1nccs1 ZINC000070732960 135010942 /nfs/dbraw/zinc/01/09/42/135010942.db2.gz GHSLGGDONJBTPK-DCAQKATOSA-N 1 0 240.372 2.487 10 0 BEAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H]2CCC=CO2)cn1 ZINC000248828471 135022205 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ZINC000250189467 135050941 /nfs/dbraw/zinc/05/09/41/135050941.db2.gz ADNFHRWJRVBGCC-AGIUHOORSA-N 1 0 210.365 2.249 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCCS2)[C@H]2CCO[C@H]21 ZINC000251100585 135064356 /nfs/dbraw/zinc/06/43/56/135064356.db2.gz ADFXFZUBXMBRGZ-IRCOFANPSA-N 1 0 241.400 2.285 10 0 BEAERO CC(C)C[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251359420 135068813 /nfs/dbraw/zinc/06/88/13/135068813.db2.gz DBORZPJGDZDIOJ-OLZOCXBDSA-N 1 0 210.365 2.201 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC1CC1 ZINC000251549368 135070182 /nfs/dbraw/zinc/07/01/82/135070182.db2.gz BAQOKBBMUCMRHF-KBPBESRZSA-N 1 0 222.376 2.345 10 0 BEAERO CC(C)CCOCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077657589 135071940 /nfs/dbraw/zinc/07/19/40/135071940.db2.gz BUJSCWNCXGPVHJ-BETUJISGSA-N 1 0 229.364 2.158 10 0 BEAERO CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000251724179 135075431 /nfs/dbraw/zinc/07/54/31/135075431.db2.gz FBWPUXYMOZROQF-BJDJZHNGSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000251788301 135077988 /nfs/dbraw/zinc/07/79/88/135077988.db2.gz LLSFEIIQUZFFDH-FVCCEPFGSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@H](C)CN(CC)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000086439712 135085166 /nfs/dbraw/zinc/08/51/66/135085166.db2.gz LKRKZCQISBHMGL-SRVKXCTJSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1cc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)no1 ZINC000252662149 135094408 /nfs/dbraw/zinc/09/44/08/135094408.db2.gz VGBBSHPNAMSFSW-RISCZKNCSA-N 1 0 249.358 2.042 10 0 BEAERO CC[C@H]([NH3+])CNc1ncc(Cl)cc1F ZINC000086711263 135095393 /nfs/dbraw/zinc/09/53/93/135095393.db2.gz GNERDGPLNLFUFZ-ZETCQYMHSA-N 1 0 217.675 2.023 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cncs1 ZINC000252714781 135101751 /nfs/dbraw/zinc/10/17/51/135101751.db2.gz SXAVDJHHKJCBGH-DCAQKATOSA-N 1 0 240.372 2.345 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)C1 ZINC000252742258 135106698 /nfs/dbraw/zinc/10/66/98/135106698.db2.gz JSSGBLXLJJLTSC-OXIQGZBJSA-N 1 0 231.405 2.312 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1C[C@H]1C ZINC000252971324 135118351 /nfs/dbraw/zinc/11/83/51/135118351.db2.gz XYKPICKWLJSEJJ-AAVRWANBSA-N 1 0 222.376 2.201 10 0 BEAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C(C)C ZINC000078435359 135125053 /nfs/dbraw/zinc/12/50/53/135125053.db2.gz QJZUIKZVKCCUNU-NEPJUHHUSA-N 1 0 243.395 2.060 10 0 BEAERO Cc1csc(C[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000087396337 135129560 /nfs/dbraw/zinc/12/95/60/135129560.db2.gz XCIFAPZKYYZNNM-LLVKDONJSA-N 1 0 240.372 2.188 10 0 BEAERO CC1(C)CN(C(=O)CCC2CCC2)CC[C@@H]1[NH3+] ZINC000259041382 135136707 /nfs/dbraw/zinc/13/67/07/135136707.db2.gz LJQWWBZJUKFLMT-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](CN)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000261527307 135151134 /nfs/dbraw/zinc/15/11/34/135151134.db2.gz PTSBPYQEFLUMPQ-ZJUUUORDSA-N 1 0 220.307 2.091 10 0 BEAERO Cc1csc(CN2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261533951 135165979 /nfs/dbraw/zinc/16/59/79/135165979.db2.gz LZQCWKSIQZIKKF-ONGXEEELSA-N 1 0 239.388 2.011 10 0 BEAERO CC(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261534369 135167325 /nfs/dbraw/zinc/16/73/25/135167325.db2.gz MCTDZFXENUJIFH-LLVKDONJSA-N 1 0 212.381 2.482 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1ccc(F)cn1 ZINC000087780145 135168098 /nfs/dbraw/zinc/16/80/98/135168098.db2.gz BUPNVQQISAQTMV-JTQLQIEISA-N 1 0 211.284 2.150 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1nc(CCC)ns1 ZINC000087780164 135169208 /nfs/dbraw/zinc/16/92/08/135169208.db2.gz HJQZUEHYLBKBIP-SECBINFHSA-N 1 0 242.392 2.420 10 0 BEAERO CCc1csc(N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261535255 135169665 /nfs/dbraw/zinc/16/96/65/135169665.db2.gz XIVUCHBAEZYOTJ-ONGXEEELSA-N 1 0 239.388 2.269 10 0 BEAERO C[C@H]1CCN(Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000261537939 135174482 /nfs/dbraw/zinc/17/44/82/135174482.db2.gz WUUKSFPUNMSPMU-JQWIXIFHSA-N 1 0 224.373 2.307 10 0 BEAERO C[C@H](CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C(C)(C)C ZINC000261539876 135178742 /nfs/dbraw/zinc/17/87/42/135178742.db2.gz CCJGEFZLZPBYCE-IJLUTSLNSA-N 1 0 240.391 2.315 10 0 BEAERO CC1CCC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261540586 135179931 /nfs/dbraw/zinc/17/99/31/135179931.db2.gz AHJDQZHRDXWWPT-CVSAEHQPSA-N 1 0 236.403 2.354 10 0 BEAERO CC1CCC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261540587 135180056 /nfs/dbraw/zinc/18/00/56/135180056.db2.gz AHJDQZHRDXWWPT-NEXFUWMNSA-N 1 0 236.403 2.354 10 0 BEAERO C[C@H](CC1CC1)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261544671 135186026 /nfs/dbraw/zinc/18/60/26/135186026.db2.gz FDQDIKJPTXDIPK-RAIGVLPGSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261550280 135188913 /nfs/dbraw/zinc/18/89/13/135188913.db2.gz LDZZUXKBZIVSQU-FRRDWIJNSA-N 1 0 238.375 2.308 10 0 BEAERO C[C@H]1CCN(c2nc3ccccc3[nH]2)[C@H](C[NH3+])C1 ZINC000261551204 135190325 /nfs/dbraw/zinc/19/03/25/135190325.db2.gz TXYVXAKFNXSJNV-QWRGUYRKSA-N 1 0 244.342 2.127 10 0 BEAERO CCC(CC)(CC)CN(C)[C@H]1CC[NH2+]C1 ZINC000261556531 135197004 /nfs/dbraw/zinc/19/70/04/135197004.db2.gz WAGZVMYFILLEJF-LBPRGKRZSA-N 1 0 212.381 2.497 10 0 BEAERO Cc1nc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cs1 ZINC000261585120 135225786 /nfs/dbraw/zinc/22/57/86/135225786.db2.gz QFGNKQXMRCFDNU-LLVKDONJSA-N 1 0 239.388 2.011 10 0 BEAERO Cc1ncsc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261588552 135229228 /nfs/dbraw/zinc/22/92/28/135229228.db2.gz SKRATKHDQZSDBJ-LLVKDONJSA-N 1 0 239.388 2.011 10 0 BEAERO Cc1ncc(CN2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261588403 135229286 /nfs/dbraw/zinc/22/92/86/135229286.db2.gz SJMPSYROOQKDHZ-LLVKDONJSA-N 1 0 239.388 2.011 10 0 BEAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261759105 135251017 /nfs/dbraw/zinc/25/10/17/135251017.db2.gz NIJQAFUYVQUTOM-FDYHWXHSSA-N 1 0 238.375 2.008 10 0 BEAERO CCC(C)(C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261947368 135265600 /nfs/dbraw/zinc/26/56/00/135265600.db2.gz YNPGNFLJEDZUJT-NSHDSACASA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1nc2ccccc2n1C ZINC000079048590 135267963 /nfs/dbraw/zinc/26/79/63/135267963.db2.gz DFKBSKNPWMJVQX-LLVKDONJSA-N 1 0 246.358 2.359 10 0 BEAERO C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)C(C)(C)C ZINC000262039134 135274491 /nfs/dbraw/zinc/27/44/91/135274491.db2.gz QAZLYKMGWNOMDI-GHMZBOCLSA-N 1 0 240.391 2.254 10 0 BEAERO CCC1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCC1 ZINC000262150600 135282462 /nfs/dbraw/zinc/28/24/62/135282462.db2.gz XKXRWNBVATYIPQ-LLVKDONJSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000081002074 135385910 /nfs/dbraw/zinc/38/59/10/135385910.db2.gz CXUVBIUEQQTMME-AAEUAGOBSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H](Nc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000335043128 135407686 /nfs/dbraw/zinc/40/76/86/135407686.db2.gz NZUOLDGEGGPVAA-NXEZZACHSA-N 1 0 208.280 2.236 10 0 BEAERO COCC1(C)CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000334455143 135417520 /nfs/dbraw/zinc/41/75/20/135417520.db2.gz FWCJATGGFCNKOU-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000082920163 135442152 /nfs/dbraw/zinc/44/21/52/135442152.db2.gz CWMHTAGMTKNJJD-QWRGUYRKSA-N 1 0 238.718 2.406 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ncnc2sccc21 ZINC000087362204 135505284 /nfs/dbraw/zinc/50/52/84/135505284.db2.gz IVTODBFXMOEYIM-MRVPVSSYSA-N 1 0 236.344 2.231 10 0 BEAERO COCCOCCC[NH2+]CC1CCC(C)CC1 ZINC000089575671 135537126 /nfs/dbraw/zinc/53/71/26/135537126.db2.gz IYFOSLZDXIWJHJ-UHFFFAOYSA-N 1 0 243.391 2.455 10 0 BEAERO CCCn1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000091013248 135558681 /nfs/dbraw/zinc/55/86/81/135558681.db2.gz SQYBTEBUDJQNAM-ZIAGYGMSSA-N 1 0 236.359 2.291 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](c2nc(Cc3ccccc3)no2)C1 ZINC000097067619 135629702 /nfs/dbraw/zinc/62/97/02/135629702.db2.gz NVNNGZKNOJKVOL-VXGBXAGGSA-N 1 0 243.310 2.255 10 0 BEAERO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CCCO1 ZINC000335318694 136026243 /nfs/dbraw/zinc/02/62/43/136026243.db2.gz ZDJMHWUZRRWBBU-NWDGAFQWSA-N 1 0 209.333 2.430 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C)n1CC ZINC000348171734 136042888 /nfs/dbraw/zinc/04/28/88/136042888.db2.gz VQOHJZVOJILSRT-VXGBXAGGSA-N 1 0 236.363 2.275 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C)n1CC ZINC000348171730 136042924 /nfs/dbraw/zinc/04/29/24/136042924.db2.gz VQOHJZVOJILSRT-NEPJUHHUSA-N 1 0 236.363 2.275 10 0 BEAERO C[C@@H]1C[C@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCO1 ZINC000335379837 136087005 /nfs/dbraw/zinc/08/70/05/136087005.db2.gz UEMOSPDFUMCDJB-DGCLKSJQSA-N 1 0 249.358 2.157 10 0 BEAERO Cc1cnc([C@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000335401021 136094332 /nfs/dbraw/zinc/09/43/32/136094332.db2.gz UTWZKPWIUUIJAK-WDEREUQCSA-N 1 0 237.347 2.103 10 0 BEAERO O[C@H]1CC[N@H+](C2CCCC2)C12CCCC2 ZINC000335400773 136094393 /nfs/dbraw/zinc/09/43/93/136094393.db2.gz WJFCCGOKGUTSIT-LBPRGKRZSA-N 1 0 209.333 2.308 10 0 BEAERO COC[C@H](C)C[NH2+][C@H](C)CC(C)(C)OC ZINC000045656839 322844286 /nfs/dbraw/zinc/84/42/86/322844286.db2.gz CDUPLJRCFQFYFC-GHMZBOCLSA-N 1 0 217.353 2.062 10 0 BEAERO CC(C)CCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000062098615 1172739729 /nfs/dbraw/zinc/73/97/29/1172739729.db2.gz ZMFLQLQLINMZTP-VXGBXAGGSA-N 1 0 226.364 2.056 10 0 BEAERO CCOc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)cc1 ZINC000295118446 397758467 /nfs/dbraw/zinc/75/84/67/397758467.db2.gz WZNLNGUIVHYVLL-DOMZBBRYSA-N 1 0 249.354 2.431 10 0 BEAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1ncc[nH]1 ZINC000174619626 397765095 /nfs/dbraw/zinc/76/50/95/397765095.db2.gz ASJVOXMYVRMMIJ-LBPRGKRZSA-N 1 0 245.326 2.105 10 0 BEAERO CC(C)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000171548378 397829105 /nfs/dbraw/zinc/82/91/05/397829105.db2.gz WYYQTFLXVFCGBR-UHFFFAOYSA-N 1 0 248.374 2.035 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC(C)(C)C1 ZINC000378771587 397830060 /nfs/dbraw/zinc/83/00/60/397830060.db2.gz FZWCIGCTAREJGN-DDHJBXDOSA-N 1 0 211.349 2.314 10 0 BEAERO CCN1C[C@H]([NH2+]Cc2ccsc2C)[C@@H](C)C1 ZINC000382299131 397932938 /nfs/dbraw/zinc/93/29/38/397932938.db2.gz MXSJOYSVUFWAQK-GWCFXTLKSA-N 1 0 238.400 2.486 10 0 BEAERO F[C@H](c1ccns1)[C@@H]1CCC[NH2+]C1 ZINC000306883690 397935974 /nfs/dbraw/zinc/93/59/74/397935974.db2.gz KRUNZPJUGHYING-APPZFPTMSA-N 1 0 200.282 2.153 10 0 BEAERO Cc1ncc([C@]2([NH3+])CCCSC2)s1 ZINC000575463839 397946762 /nfs/dbraw/zinc/94/67/62/397946762.db2.gz BHLJJSKZMPMGPP-VIFPVBQESA-N 1 0 214.359 2.133 10 0 BEAERO C[C@@H]1CSC(NCCCF)=[NH+][C@H]1C ZINC000306917749 397951187 /nfs/dbraw/zinc/95/11/87/397951187.db2.gz YHWQJVFLFRYTKD-SFYZADRCSA-N 1 0 204.314 2.063 10 0 BEAERO CC[C@H]([NH3+])CNc1ccc(C(F)(F)F)cn1 ZINC000082579441 397955801 /nfs/dbraw/zinc/95/58/01/397955801.db2.gz RYMYLGMDAAWIHA-QMMMGPOBSA-N 1 0 233.237 2.250 10 0 BEAERO CC(C)[C@@H](c1nc(-c2cccnc2)no1)[C@@H](C)[NH3+] ZINC000109495159 397897620 /nfs/dbraw/zinc/89/76/20/397897620.db2.gz MZJMGDDXQLIDDM-MWLCHTKSSA-N 1 0 246.314 2.218 10 0 BEAERO CCC[NH+](CCC)Cc1nnc(C)n1CC ZINC000195063210 397899832 /nfs/dbraw/zinc/89/98/32/397899832.db2.gz WIHAAZKNJPMORZ-UHFFFAOYSA-N 1 0 224.352 2.228 10 0 BEAERO Cc1c[nH+]ccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000382204984 397921826 /nfs/dbraw/zinc/92/18/26/397921826.db2.gz KAINJTRVBLGMAP-DMDPSCGWSA-N 1 0 202.301 2.412 10 0 BEAERO CC(C)([NH3+])C[C@H](O)c1occc1Br ZINC000307151577 397989716 /nfs/dbraw/zinc/98/97/16/397989716.db2.gz DQZAXTFZNSVAKN-ZETCQYMHSA-N 1 0 248.120 2.203 10 0 BEAERO c1ccc(Cc2noc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000021512256 397994646 /nfs/dbraw/zinc/99/46/46/397994646.db2.gz BMUHDIVUBLEZQY-GFCCVEGCSA-N 1 0 243.310 2.127 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)C1CCOCC1 ZINC000300573719 397995193 /nfs/dbraw/zinc/99/51/93/397995193.db2.gz XIKDXVGSMRFORG-IACUBPJLSA-N 1 0 241.375 2.085 10 0 BEAERO c1ncc(C[NH2+]CC2CCCCC2)cn1 ZINC000054767241 397996727 /nfs/dbraw/zinc/99/67/27/397996727.db2.gz NGULOUZLTFENBO-UHFFFAOYSA-N 1 0 205.305 2.147 10 0 BEAERO FC(F)(F)c1cccc([C@H]2CC[NH2+]C2)n1 ZINC000205162899 397997983 /nfs/dbraw/zinc/99/79/83/397997983.db2.gz VSBVFFHHDIMQNG-ZETCQYMHSA-N 1 0 216.206 2.177 10 0 BEAERO C[C@H]([NH2+]CCCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000564826237 398045537 /nfs/dbraw/zinc/04/55/37/398045537.db2.gz HPDUFYKOJLAGFN-WCQYABFASA-N 1 0 210.365 2.154 10 0 BEAERO FC(F)(F)c1ccc(N[C@@H]2CC[NH2+]C2)cc1 ZINC000054187048 398028825 /nfs/dbraw/zinc/02/88/25/398028825.db2.gz GXFRRVSARFZXLB-SNVBAGLBSA-N 1 0 230.233 2.479 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+]CC1CC(O)C1 ZINC000394793039 398043436 /nfs/dbraw/zinc/04/34/36/398043436.db2.gz OCKUUXURIKRFPC-QCXCNERSSA-N 1 0 211.349 2.173 10 0 BEAERO Cc1cc(/C=C/[C@@H]2COCC[NH2+]2)cs1 ZINC000307134984 397986954 /nfs/dbraw/zinc/98/69/54/397986954.db2.gz PHRBUWHJXROODL-KXMPLOMGSA-N 1 0 209.314 2.058 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000388653964 397987894 /nfs/dbraw/zinc/98/78/94/397987894.db2.gz ATEZGSDKNHYZCF-NDBYEHHHSA-N 1 0 238.375 2.056 10 0 BEAERO OCC[NH2+][C@@H]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC000584647737 398080782 /nfs/dbraw/zinc/08/07/82/398080782.db2.gz LGONZWXNGPRDFG-CHWSQXEVSA-N 1 0 241.281 2.183 10 0 BEAERO Fc1ccc2c(c1)onc2[C@@H]1CCC[NH2+]1 ZINC000584639685 398084113 /nfs/dbraw/zinc/08/41/13/398084113.db2.gz QCLJLANIAHEBEW-VIFPVBQESA-N 1 0 206.220 2.391 10 0 BEAERO Cc1ccc(NC2CCC([NH3+])CC2)nc1 ZINC000051694063 398057473 /nfs/dbraw/zinc/05/74/73/398057473.db2.gz KGUPPGJJMAALPA-UHFFFAOYSA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cc(C(C)C)nc(N2CCC(C[NH3+])CC2)n1 ZINC000159300640 398102048 /nfs/dbraw/zinc/10/20/48/398102048.db2.gz DDUUZJHKYINRKF-UHFFFAOYSA-N 1 0 248.374 2.084 10 0 BEAERO CNC(=[NH2+])c1ccc(OC)c(Br)c1 ZINC000234351060 398124219 /nfs/dbraw/zinc/12/42/19/398124219.db2.gz ZTYAKGRNWBIQLQ-UHFFFAOYSA-N 1 0 243.104 2.002 10 0 BEAERO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2CCF)cn1 ZINC000286009747 398131525 /nfs/dbraw/zinc/13/15/25/398131525.db2.gz JDQJEYSIYUCYON-VXGBXAGGSA-N 1 0 225.311 2.038 10 0 BEAERO CC(C)C[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037873179 167007000 /nfs/dbraw/zinc/00/70/00/167007000.db2.gz VLTIZLLDVREUSZ-LBPRGKRZSA-N 1 0 229.270 2.244 10 0 BEAERO CC(C)COC(=O)N(CC[NH3+])C1CCCCC1 ZINC000104315258 167020620 /nfs/dbraw/zinc/02/06/20/167020620.db2.gz IRYXGXOBBOEECT-UHFFFAOYSA-N 1 0 242.363 2.372 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)NC[C@H]1c1ccccc1 ZINC000062608944 167028914 /nfs/dbraw/zinc/02/89/14/167028914.db2.gz JABAQTDHBSGHPY-OCCSQVGLSA-N 1 0 218.344 2.430 10 0 BEAERO CC(C)[NH2+]CCN(C)CCc1ccccc1 ZINC000042691143 167102261 /nfs/dbraw/zinc/10/22/61/167102261.db2.gz DPGZHKRPDRDLJJ-UHFFFAOYSA-N 1 0 220.360 2.159 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@@H](C2CC2)C1 ZINC000377587735 167105491 /nfs/dbraw/zinc/10/54/91/167105491.db2.gz ZDMIEHRGBCBFLX-CYBMUJFWSA-N 1 0 210.365 2.106 10 0 BEAERO CC(C)[NH2+]CCN[C@H](C)c1ccccc1 ZINC000039207840 167106723 /nfs/dbraw/zinc/10/67/23/167106723.db2.gz YSUSVZXIZYOTGX-GFCCVEGCSA-N 1 0 206.333 2.335 10 0 BEAERO CC(C)[NH2+]Cc1cnc(N2CC[C@@H](C)C2)s1 ZINC000054905913 167121687 /nfs/dbraw/zinc/12/16/87/167121687.db2.gz DDWRMAZDFJSMKQ-SNVBAGLBSA-N 1 0 239.388 2.487 10 0 BEAERO CC(C)[NH2+]Cc1nnc(C2CCCCC2)[nH]1 ZINC000041058850 167121939 /nfs/dbraw/zinc/12/19/39/167121939.db2.gz WZQNJSCXZVHDHF-UHFFFAOYSA-N 1 0 222.336 2.350 10 0 BEAERO CC(C)[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000040538518 167121965 /nfs/dbraw/zinc/12/19/65/167121965.db2.gz DSODZKDQCJHJKO-UHFFFAOYSA-N 1 0 207.321 2.496 10 0 BEAERO CC(C)[NH2+][C@@H]1COc2c1cc(F)cc2F ZINC000035653397 167135796 /nfs/dbraw/zinc/13/57/96/167135796.db2.gz FRTSJZPKPHRVFL-SNVBAGLBSA-N 1 0 213.227 2.396 10 0 BEAERO CC(C)[NH2+][C@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974246 167142947 /nfs/dbraw/zinc/14/29/47/167142947.db2.gz AOEMKSUXDQNSDR-MEDUHNTESA-N 1 0 241.331 2.376 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000227891551 487562660 /nfs/dbraw/zinc/56/26/60/487562660.db2.gz WEXVMMWWWJKOII-ZIAGYGMSSA-N 1 0 241.375 2.110 10 0 BEAERO Cn1c2ccccc2nc1NC[C@H]1CCCC[NH2+]1 ZINC000079047915 487568547 /nfs/dbraw/zinc/56/85/47/487568547.db2.gz MCTRUZPBFRISLY-LLVKDONJSA-N 1 0 244.342 2.127 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000308882152 487571918 /nfs/dbraw/zinc/57/19/18/487571918.db2.gz QQLFYTWZYCGSLJ-UTUOFQBUSA-N 1 0 209.333 2.212 10 0 BEAERO Cc1cc(C)cc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000043393691 487574065 /nfs/dbraw/zinc/57/40/65/487574065.db2.gz XLZPOIHYQNIHLL-UHFFFAOYSA-N 1 0 215.300 2.316 10 0 BEAERO CC(C)OCCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123670832 167213207 /nfs/dbraw/zinc/21/32/07/167213207.db2.gz FQWFLOFUINGXCW-KGLIPLIRSA-N 1 0 242.407 2.216 10 0 BEAERO CC1(C)CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000308910173 487579721 /nfs/dbraw/zinc/57/97/21/487579721.db2.gz MJLWZJSKMNXQLN-NEPJUHHUSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)OCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128524035 167235242 /nfs/dbraw/zinc/23/52/42/167235242.db2.gz UXIUNVCARKASED-ZIAGYGMSSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)OCCOc1cccc(C[C@H](C)[NH3+])c1 ZINC000049261115 167249191 /nfs/dbraw/zinc/24/91/91/167249191.db2.gz CHQWQAJVLOELCC-LBPRGKRZSA-N 1 0 237.343 2.380 10 0 BEAERO C[C@H]1CCC[C@H](C[NH2+]CC2CC(O)C2)C1 ZINC000084447248 322913275 /nfs/dbraw/zinc/91/32/75/322913275.db2.gz NWJRPMIDWLUJLI-ZSVAQUKISA-N 1 0 211.349 2.173 10 0 BEAERO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658350114 487590386 /nfs/dbraw/zinc/59/03/86/487590386.db2.gz BEAAHXRQHNWPNN-PNESKVBLSA-N 1 0 249.354 2.425 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CS1 ZINC000086935432 487593015 /nfs/dbraw/zinc/59/30/15/487593015.db2.gz DMJRSQKEHSZFMW-VWYCJHECSA-N 1 0 215.362 2.039 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CS1 ZINC000086935434 487593397 /nfs/dbraw/zinc/59/33/97/487593397.db2.gz DMJRSQKEHSZFMW-MXWKQRLJSA-N 1 0 215.362 2.039 10 0 BEAERO Clc1sccc1CNC[C@H]1CC[NH2+]C1 ZINC000312760558 322922415 /nfs/dbraw/zinc/92/24/15/322922415.db2.gz HWJPODWZKRMMKP-QMMMGPOBSA-N 1 0 230.764 2.101 10 0 BEAERO C[C@@]1(C(=O)NCCCC2CCC2)CCCC[NH2+]1 ZINC000662664549 409823025 /nfs/dbraw/zinc/82/30/25/409823025.db2.gz CHFQSGALAFIKGB-AWEZNQCLSA-N 1 0 238.375 2.215 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662665550 409825487 /nfs/dbraw/zinc/82/54/87/409825487.db2.gz JVOLZRNRMOQIAO-ZYHUDNBSSA-N 1 0 226.364 2.056 10 0 BEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCOc1ccccc1 ZINC000296317899 410009393 /nfs/dbraw/zinc/00/93/93/410009393.db2.gz QECZYDDDTCOZSU-ZFWWWQNUSA-N 1 0 249.354 2.301 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(C(C)C)CC1 ZINC000232581993 487613228 /nfs/dbraw/zinc/61/32/28/487613228.db2.gz YHKCJKZUUISBDV-CYBMUJFWSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCCCC(C)(C)C ZINC000313462165 410094927 /nfs/dbraw/zinc/09/49/27/410094927.db2.gz PLSGXISXQOTFPT-LLVKDONJSA-N 1 0 228.380 2.302 10 0 BEAERO Brc1ccc(C[C@H]2CCC[NH2+]2)nc1 ZINC000096893746 166097927 /nfs/dbraw/zinc/09/79/27/166097927.db2.gz JFGVCLQROCTWQQ-SECBINFHSA-N 1 0 241.132 2.139 10 0 BEAERO Brc1ccc([C@H]2CCC[NH2+]C2)nc1 ZINC000095827090 166099148 /nfs/dbraw/zinc/09/91/48/166099148.db2.gz PIGROURKQOAHBJ-QMMMGPOBSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccc([C@H]2CCC[NH2+]C2)[nH]1 ZINC000082349568 166100011 /nfs/dbraw/zinc/10/00/11/166100011.db2.gz WDDCZWVLISPAEJ-ZETCQYMHSA-N 1 0 229.121 2.244 10 0 BEAERO Brc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000072193312 166101227 /nfs/dbraw/zinc/10/12/27/166101227.db2.gz OXMSTXNPMORHBL-SSDOTTSWSA-N 1 0 227.105 2.269 10 0 BEAERO Brc1cccc([C@@H]2[NH2+]CCO2)c1 ZINC000049821075 166101276 /nfs/dbraw/zinc/10/12/76/166101276.db2.gz ORHALYCGTSDHKA-SECBINFHSA-N 1 0 228.089 2.068 10 0 BEAERO Brc1cccc([C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC000095742316 166102099 /nfs/dbraw/zinc/10/20/99/166102099.db2.gz SGZGYHORYYBOLQ-KOLCDFICSA-N 1 0 238.128 2.310 10 0 BEAERO Brc1csc(C2C[NH2+]C2)c1 ZINC000071520401 166106939 /nfs/dbraw/zinc/10/69/39/166106939.db2.gz ABLIKYGPZCOPCT-UHFFFAOYSA-N 1 0 218.119 2.197 10 0 BEAERO CCN(CC)C(=O)C[C@H](C[NH3+])c1cccc(C)c1 ZINC000057537279 169751072 /nfs/dbraw/zinc/75/10/72/169751072.db2.gz MUPNGIWLVVWTEM-CQSZACIVSA-N 1 0 248.370 2.296 10 0 BEAERO c1ccc2c(c1)ccnc2NC[C@@H]1CC[NH2+]C1 ZINC000132072147 410583219 /nfs/dbraw/zinc/58/32/19/410583219.db2.gz JNPFIGAUJFUKQD-LLVKDONJSA-N 1 0 227.311 2.256 10 0 BEAERO CC(C)(C)CC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051358473 166545876 /nfs/dbraw/zinc/54/58/76/166545876.db2.gz YQWFLAXYXUKSTC-NEPJUHHUSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)(C)CC[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091978 166570622 /nfs/dbraw/zinc/57/06/22/166570622.db2.gz YBCOKYJEDGWWPJ-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)(C)C[C@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000036949925 166602558 /nfs/dbraw/zinc/60/25/58/166602558.db2.gz FPNHMSCEKZJAMA-JTQLQIEISA-N 1 0 248.326 2.454 10 0 BEAERO CC(C)(C)[NH2+]Cc1cc(F)ccc1-n1cncn1 ZINC000062738516 166635655 /nfs/dbraw/zinc/63/56/55/166635655.db2.gz JUSAEIPPJMLZHD-UHFFFAOYSA-N 1 0 248.305 2.295 10 0 BEAERO CC(C)CCC[NH2+]C[C@@H](O)COC1CCCC1 ZINC000037984805 166813316 /nfs/dbraw/zinc/81/33/16/166813316.db2.gz BWZUULNSAYZCIE-CYBMUJFWSA-N 1 0 243.391 2.332 10 0 BEAERO CC(C)CC[N@H+](C)C[C@@H](O)c1ccc(N)cc1 ZINC000051324387 166832506 /nfs/dbraw/zinc/83/25/06/166832506.db2.gz LKHGQULLXBFBDZ-CQSZACIVSA-N 1 0 236.359 2.280 10 0 BEAERO CC(C)CCN(C)C(=O)[C@@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000055141559 166832908 /nfs/dbraw/zinc/83/29/08/166832908.db2.gz KCKKJBQQSHTIFE-XQQFMLRXSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087711 166903918 /nfs/dbraw/zinc/90/39/18/166903918.db2.gz SZTHZHASDAYKRR-AVGNSLFASA-N 1 0 240.391 2.445 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000651199215 410860099 /nfs/dbraw/zinc/86/00/99/410860099.db2.gz FNLLOVMQIMHRJL-MJBXVCDLSA-N 1 0 223.360 2.458 10 0 BEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000040853902 410894345 /nfs/dbraw/zinc/89/43/45/410894345.db2.gz CXGISIJRPJCLDB-DTWKUNHWSA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)C[NH2+]C[C@@H](O)c1ccc2c(c1)CCC2 ZINC000049825744 167006618 /nfs/dbraw/zinc/00/66/18/167006618.db2.gz BGYYGCOUCBJECK-OAHLLOKOSA-N 1 0 233.355 2.454 10 0 BEAERO CC(C)C[NH2+][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364444707 167012129 /nfs/dbraw/zinc/01/21/29/167012129.db2.gz VZGFZRYJJDRGBW-SMDDNHRTSA-N 1 0 219.328 2.453 10 0 BEAERO CC(C)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000035229509 167014006 /nfs/dbraw/zinc/01/40/06/167014006.db2.gz YCOUYGRPGHTKAM-LLVKDONJSA-N 1 0 236.363 2.311 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)NC[C@H]1Cc1ccccc1 ZINC000062615705 167029091 /nfs/dbraw/zinc/02/90/91/167029091.db2.gz LUBCKUVNFSWAFM-UKRRQHHQSA-N 1 0 232.371 2.300 10 0 BEAERO CC(C)NC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000052044024 167036098 /nfs/dbraw/zinc/03/60/98/167036098.db2.gz UOSRSAVQPYORIM-NEPJUHHUSA-N 1 0 217.316 2.065 10 0 BEAERO CC(C)NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000112702643 167038311 /nfs/dbraw/zinc/03/83/11/167038311.db2.gz OFETWZGVDNXSDH-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)NC(=O)[C@@H](CCC[NH3+])c1ccccc1 ZINC000076616832 167082562 /nfs/dbraw/zinc/08/25/62/167082562.db2.gz YTLWVNZXRONSHN-ZDUSSCGKSA-N 1 0 234.343 2.034 10 0 BEAERO CC(C)NC(=O)[C@H](CCC[NH3+])c1cccs1 ZINC000076622301 167084160 /nfs/dbraw/zinc/08/41/60/167084160.db2.gz VRAZPVMGSHYCNC-SNVBAGLBSA-N 1 0 240.372 2.095 10 0 BEAERO CC(C)[NH2+]CC(=O)c1ccc(F)c(F)c1 ZINC000049815286 167096490 /nfs/dbraw/zinc/09/64/90/167096490.db2.gz HONNZUTUUVCFIR-UHFFFAOYSA-N 1 0 213.227 2.146 10 0 BEAERO CC(C)[NH2+]CC(=O)c1ccc2c(c1)OCCCO2 ZINC000049836933 167097673 /nfs/dbraw/zinc/09/76/73/167097673.db2.gz IMGXJDVSTZTVKD-UHFFFAOYSA-N 1 0 249.310 2.029 10 0 BEAERO CC(C)[NH2+]CCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819600 167099636 /nfs/dbraw/zinc/09/96/36/167099636.db2.gz RSCCLAWBEXWTFL-CYBMUJFWSA-N 1 0 249.358 2.066 10 0 BEAERO CC(C)[NH2+]CCN(C)c1nncc2ccccc21 ZINC000053706931 167105171 /nfs/dbraw/zinc/10/51/71/167105171.db2.gz QMVNWTBLBYIOHZ-UHFFFAOYSA-N 1 0 244.342 2.064 10 0 BEAERO CC(C)[NH2+]CC[C@@H](C)n1nnc2ccccc21 ZINC000052576761 167109831 /nfs/dbraw/zinc/10/98/31/167109831.db2.gz BLQYCEJLQIWQEZ-LLVKDONJSA-N 1 0 232.331 2.380 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCN(c2nccs2)C1 ZINC000053701818 167111410 /nfs/dbraw/zinc/11/14/10/167111410.db2.gz AKMPAPFWUHNHSZ-NSHDSACASA-N 1 0 239.388 2.358 10 0 BEAERO CC(C)[NH2+]C[C@H](O)c1sccc1Cl ZINC000033829474 167114739 /nfs/dbraw/zinc/11/47/39/167114739.db2.gz PGTJDGZYRNIXBE-QMMMGPOBSA-N 1 0 219.737 2.433 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCN(C(F)(F)F)C1 ZINC000095088486 167115415 /nfs/dbraw/zinc/11/54/15/167115415.db2.gz GISCAXQISVXXJU-SECBINFHSA-N 1 0 224.270 2.216 10 0 BEAERO CC(C)[NH2+]C[C@](C)(O)c1ccc(F)c(F)c1 ZINC000055033156 167116548 /nfs/dbraw/zinc/11/65/48/167116548.db2.gz MXMNTDABAYBTFA-LBPRGKRZSA-N 1 0 229.270 2.170 10 0 BEAERO CC(C)[NH2+]C[C@H]1C[C@@]1(C)c1cccnc1 ZINC000054595258 167117616 /nfs/dbraw/zinc/11/76/16/167117616.db2.gz JCZMOHGKFBCMBY-OLZOCXBDSA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]Cc1ccc(N2CCCCCC2)nn1 ZINC000051400078 167118889 /nfs/dbraw/zinc/11/88/89/167118889.db2.gz WDCWDEGJMMXWCZ-UHFFFAOYSA-N 1 0 248.374 2.355 10 0 BEAERO CC(C)[NH2+]Cc1ccnc(-c2cccnc2)n1 ZINC000054791642 167121776 /nfs/dbraw/zinc/12/17/76/167121776.db2.gz AGUVGOIIYVYREG-UHFFFAOYSA-N 1 0 228.299 2.037 10 0 BEAERO CC(C)[NH2+][C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000033868523 167132511 /nfs/dbraw/zinc/13/25/11/167132511.db2.gz XKEVWMVUIDDRMC-JTQLQIEISA-N 1 0 221.300 2.344 10 0 BEAERO CC(C)N[C@@](C)(C(N)=O)c1ccccc1Cl ZINC000037446523 167136276 /nfs/dbraw/zinc/13/62/76/167136276.db2.gz CQVUNQPEDTWKGY-GFCCVEGCSA-N 1 0 240.734 2.039 10 0 BEAERO CC(C)N[C@H](C(N)=O)c1c(F)cccc1Cl ZINC000037869412 167136328 /nfs/dbraw/zinc/13/63/28/167136328.db2.gz VSYZJLXMDLWBSH-JTQLQIEISA-N 1 0 244.697 2.004 10 0 BEAERO CC(C)[NH2+][C@H](C)Cc1ccc2c(c1)OCO2 ZINC000033868524 167138665 /nfs/dbraw/zinc/13/86/65/167138665.db2.gz XKEVWMVUIDDRMC-SNVBAGLBSA-N 1 0 221.300 2.344 10 0 BEAERO CC(C)[NH2+][C@H](CO)c1cc(F)c(F)c(F)c1 ZINC000062720349 167140423 /nfs/dbraw/zinc/14/04/23/167140423.db2.gz FJZCSQKKPBSNRN-SNVBAGLBSA-N 1 0 233.233 2.135 10 0 BEAERO CC(C)OCC[N@@H+]1CC(C)(C)NC[C@@H]1C(C)C ZINC000062620948 167231073 /nfs/dbraw/zinc/23/10/73/167231073.db2.gz CIBBXDNARZXOPZ-CYBMUJFWSA-N 1 0 242.407 2.120 10 0 BEAERO CC(C)OCCOCc1ccc(C[NH3+])cc1F ZINC000019281017 167248337 /nfs/dbraw/zinc/24/83/37/167248337.db2.gz TZJHPHDOEBOTBF-UHFFFAOYSA-N 1 0 241.306 2.226 10 0 BEAERO CC(C)OCCOCc1ccc(C[NH3+])cc1 ZINC000019263324 167249063 /nfs/dbraw/zinc/24/90/63/167249063.db2.gz ROKCWGKQGHEUGB-UHFFFAOYSA-N 1 0 223.316 2.087 10 0 BEAERO CC(C)O[C@]1(C[NH3+])CCc2ccccc21 ZINC000082639881 167284830 /nfs/dbraw/zinc/28/48/30/167284830.db2.gz VUQVNFIMUPHIKC-ZDUSSCGKSA-N 1 0 205.301 2.212 10 0 BEAERO CC(C)Oc1cc(C[NH3+])c2ccccc2n1 ZINC000051526508 167284995 /nfs/dbraw/zinc/28/49/95/167284995.db2.gz FLISSZSIASYSGC-UHFFFAOYSA-N 1 0 216.284 2.481 10 0 BEAERO CC(C)Oc1ccc(C(=O)[C@@H](C)[NH3+])cc1 ZINC000071510443 167290252 /nfs/dbraw/zinc/29/02/52/167290252.db2.gz RJHQAGWGQNTALR-SECBINFHSA-N 1 0 207.273 2.004 10 0 BEAERO CC(C)Oc1ccc(CN(C)CC[NH3+])cc1F ZINC000107291600 167291703 /nfs/dbraw/zinc/29/17/03/167291703.db2.gz FZJVIUVCSROLAJ-UHFFFAOYSA-N 1 0 240.322 2.003 10 0 BEAERO CC(C)Oc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000037405130 167298882 /nfs/dbraw/zinc/29/88/82/167298882.db2.gz MMKDZSXHHKYOKM-ZDUSSCGKSA-N 1 0 221.300 2.135 10 0 BEAERO CC(C)Oc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000041266692 167299639 /nfs/dbraw/zinc/29/96/39/167299639.db2.gz JATBLUDWGSTAJU-ZIAGYGMSSA-N 1 0 235.327 2.259 10 0 BEAERO CC(C)Oc1ccc([C@H](O)C[NH2+]C2CC2)cc1 ZINC000033465488 167300310 /nfs/dbraw/zinc/30/03/10/167300310.db2.gz RGNDSRBHJIZCRP-CQSZACIVSA-N 1 0 235.327 2.259 10 0 BEAERO CC(C)Oc1ccc([C@H](C[NH3+])NC2CC2)cc1 ZINC000050271351 167300925 /nfs/dbraw/zinc/30/09/25/167300925.db2.gz JVZXIIALLYZHKM-AWEZNQCLSA-N 1 0 234.343 2.226 10 0 BEAERO CC(C)Oc1ccc([C@@](C)(O)C[NH2+]C2CC2)cc1 ZINC000032104685 167301069 /nfs/dbraw/zinc/30/10/69/167301069.db2.gz FZMHFGZNPIFHQM-HNNXBMFYSA-N 1 0 249.354 2.433 10 0 BEAERO CC(C)Oc1ccc([C@@](C)([NH3+])CCO)cc1 ZINC000083617926 167301373 /nfs/dbraw/zinc/30/13/73/167301373.db2.gz ONSUKGBSNGVRQI-ZDUSSCGKSA-N 1 0 223.316 2.030 10 0 BEAERO CC(C)Oc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000082597372 167302223 /nfs/dbraw/zinc/30/22/23/167302223.db2.gz IDOVDUDFEFJDPP-UHFFFAOYSA-N 1 0 218.300 2.456 10 0 BEAERO CC(C)Oc1ccc([C@H]2COCC[NH2+]2)cc1 ZINC000071523221 167302279 /nfs/dbraw/zinc/30/22/79/167302279.db2.gz VTUOYNGWGJLVTQ-CYBMUJFWSA-N 1 0 221.300 2.135 10 0 BEAERO CC(C)Oc1ccccc1N1CC[NH2+][C@H](C)C1 ZINC000077369614 167311499 /nfs/dbraw/zinc/31/14/99/167311499.db2.gz SFSATUNRGIYGJZ-GFCCVEGCSA-N 1 0 234.343 2.272 10 0 BEAERO CC(C)Sc1ccc(NC(N)=[NH2+])cc1 ZINC000082594973 167337310 /nfs/dbraw/zinc/33/73/10/167337310.db2.gz LVPLRLNIGKOUSR-UHFFFAOYSA-N 1 0 209.318 2.492 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000336758940 167381545 /nfs/dbraw/zinc/38/15/45/167381545.db2.gz KZBBEVBMNIPKOP-VXGBXAGGSA-N 1 0 211.349 2.437 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000016519133 167383838 /nfs/dbraw/zinc/38/38/38/167383838.db2.gz KRIQCXSDRFHWGO-SNVBAGLBSA-N 1 0 245.326 2.057 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289313703 167384154 /nfs/dbraw/zinc/38/41/54/167384154.db2.gz SIKGPMIQVWKDIR-RKDXNWHRSA-N 1 0 228.361 2.331 10 0 BEAERO C[C@H](CCC1CC1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000398077932 410940064 /nfs/dbraw/zinc/94/00/64/410940064.db2.gz JGLRWLFRMVRXCW-WXHSDQCUSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cncs1 ZINC000123589255 167394015 /nfs/dbraw/zinc/39/40/15/167394015.db2.gz TUXOTGHOWATMMJ-VHSXEESVSA-N 1 0 228.361 2.201 10 0 BEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc(F)cc1N ZINC000049194633 167395127 /nfs/dbraw/zinc/39/51/27/167395127.db2.gz YOCQLXFFVSWJIF-CYBMUJFWSA-N 1 0 239.338 2.406 10 0 BEAERO CC(C)[C@@H](C[NH3+])Oc1ccc(F)cc1F ZINC000052650768 167397111 /nfs/dbraw/zinc/39/71/11/167397111.db2.gz VQTOAHUUKCWVHX-LLVKDONJSA-N 1 0 215.243 2.327 10 0 BEAERO CC(C)[C@@H](C[NH2+]Cc1ccc(O)cc1)N(C)C ZINC000020145391 167398408 /nfs/dbraw/zinc/39/84/08/167398408.db2.gz JCTXVMFUZPNCNI-CQSZACIVSA-N 1 0 236.359 2.068 10 0 BEAERO CC(C)[C@@H](c1cccs1)N1C[C@H]([NH3+])CC1=O ZINC000049559891 167462514 /nfs/dbraw/zinc/46/25/14/167462514.db2.gz HFJBSIXATDCTKT-SKDRFNHKSA-N 1 0 238.356 2.005 10 0 BEAERO CC(C)[C@](O)(C[NH2+]C1CC1)c1ccccc1 ZINC000032013493 167537819 /nfs/dbraw/zinc/53/78/19/167537819.db2.gz ZMLDVYNYBRETTE-CQSZACIVSA-N 1 0 219.328 2.282 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000399724964 411060778 /nfs/dbraw/zinc/06/07/78/411060778.db2.gz GZPWZNCXXORWPK-NEPJUHHUSA-N 1 0 240.391 2.256 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000399724968 411060882 /nfs/dbraw/zinc/06/08/82/411060882.db2.gz GZPWZNCXXORWPK-RYUDHWBXSA-N 1 0 240.391 2.256 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000399902408 411071332 /nfs/dbraw/zinc/07/13/32/411071332.db2.gz UWXIPXSNWGEVFK-CYBMUJFWSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)c1cc(N[C@@H](C)C[NH+]2CCCC2)ncn1 ZINC000049184090 167576629 /nfs/dbraw/zinc/57/66/29/167576629.db2.gz HHFFBEKOQKXGQW-LBPRGKRZSA-N 1 0 248.374 2.496 10 0 BEAERO Cc1cc(F)ccc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399175697 411021850 /nfs/dbraw/zinc/02/18/50/411021850.db2.gz AZNVNJRLQPNOQR-SMDDNHRTSA-N 1 0 237.318 2.479 10 0 BEAERO CC(C)c1ccc([C@@](O)(C[NH3+])C2CC2)cc1 ZINC000049817471 167616754 /nfs/dbraw/zinc/61/67/54/167616754.db2.gz NLHAUCMLCUGWBN-AWEZNQCLSA-N 1 0 219.328 2.366 10 0 BEAERO CC(C)c1ccc([C@]2(O)CCC[NH2+]C2)cc1 ZINC000071521992 167621699 /nfs/dbraw/zinc/62/16/99/167621699.db2.gz DPQDDNYHUVWBAP-AWEZNQCLSA-N 1 0 219.328 2.381 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000211808149 411140488 /nfs/dbraw/zinc/14/04/88/411140488.db2.gz MDABQBPXCLOFJI-AAEUAGOBSA-N 1 0 240.391 2.460 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000211808216 411140544 /nfs/dbraw/zinc/14/05/44/411140544.db2.gz MDABQBPXCLOFJI-DGCLKSJQSA-N 1 0 240.391 2.460 10 0 BEAERO CC(C)c1nc(-c2ccc(CC[NH3+])cc2)n[nH]1 ZINC000041161377 167656617 /nfs/dbraw/zinc/65/66/17/167656617.db2.gz CRXQQOQHAQGHLY-UHFFFAOYSA-N 1 0 230.315 2.096 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCSCC1 ZINC000657881827 411152746 /nfs/dbraw/zinc/15/27/46/411152746.db2.gz YWIAOJRSWGMSBT-QWRGUYRKSA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)C(C)C ZINC000061612839 411169308 /nfs/dbraw/zinc/16/93/08/411169308.db2.gz NSJVHXJRBHKPAH-ZIAGYGMSSA-N 1 0 248.370 2.280 10 0 BEAERO CC(C)CNC(=[NH2+])[C@@H]1SCCS[C@@H]1C ZINC000228187435 411183187 /nfs/dbraw/zinc/18/31/87/411183187.db2.gz SXDMOAKOVRGWMT-RKDXNWHRSA-N 1 0 232.418 2.446 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cccs1 ZINC000128915421 411189812 /nfs/dbraw/zinc/18/98/12/411189812.db2.gz ILWKITDZFWEGQP-LLVKDONJSA-N 1 0 240.372 2.080 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655697497 411244372 /nfs/dbraw/zinc/24/43/72/411244372.db2.gz QONBMRGSBWAEKO-RWMBFGLXSA-N 1 0 242.432 2.344 10 0 BEAERO CC(C)CN(C(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000128952043 411194060 /nfs/dbraw/zinc/19/40/60/411194060.db2.gz HFMFLWPDDLUREW-GFCCVEGCSA-N 1 0 226.364 2.007 10 0 BEAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000393721381 411197379 /nfs/dbraw/zinc/19/73/79/411197379.db2.gz IOZGKRRSVFPQFG-YPMHNXCESA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(C)(C)CC1 ZINC000129047963 411215105 /nfs/dbraw/zinc/21/51/05/411215105.db2.gz WIKZGHHNUIRIQA-LLVKDONJSA-N 1 0 226.364 2.008 10 0 BEAERO C1=CCC(C[N@@H+]2CCN3CCCC[C@H]3C2)C1 ZINC000660078475 411221568 /nfs/dbraw/zinc/22/15/68/411221568.db2.gz WDRZSGZXMUYAAI-AWEZNQCLSA-N 1 0 220.360 2.123 10 0 BEAERO CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000658054223 411223597 /nfs/dbraw/zinc/22/35/97/411223597.db2.gz OXBREOGTNHARGC-ZIAGYGMSSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccccn2)CS1 ZINC000655683271 411224145 /nfs/dbraw/zinc/22/41/45/411224145.db2.gz BRNPHGSQRNCDSB-PWSUYJOCSA-N 1 0 222.357 2.455 10 0 BEAERO COc1ccc(F)cc1-c1cnn(CCC[NH3+])c1 ZINC000049836845 411247038 /nfs/dbraw/zinc/24/70/38/411247038.db2.gz FTBOLWIKQGKUPH-UHFFFAOYSA-N 1 0 249.289 2.047 10 0 BEAERO [NH3+][C@H]1CC[C@H](Oc2ncccc2Cl)CC1 ZINC000299891885 411232178 /nfs/dbraw/zinc/23/21/78/411232178.db2.gz GYRGDRHNKMMIEJ-KYZUINATSA-N 1 0 226.707 2.384 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCC1(C)C ZINC000129135527 411232849 /nfs/dbraw/zinc/23/28/49/411232849.db2.gz GKVPZYOKROZGRF-MNOVXSKESA-N 1 0 226.364 2.055 10 0 BEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(C)(C)C)[C@H]2C1 ZINC000092096158 411268527 /nfs/dbraw/zinc/26/85/27/411268527.db2.gz DEMOPUKHCDYRKD-AGIUHOORSA-N 1 0 241.375 2.301 10 0 BEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](C3CCCC3)[C@@H]2C1 ZINC000092097359 411268544 /nfs/dbraw/zinc/26/85/44/411268544.db2.gz DDVHQPVYZRFYQN-MGPQQGTHSA-N 1 0 239.359 2.197 10 0 BEAERO CC[NH+](CC)CCCNCc1oc(C)nc1C ZINC000124230217 411333113 /nfs/dbraw/zinc/33/31/13/411333113.db2.gz NHZCGFPGZDRLKN-UHFFFAOYSA-N 1 0 239.363 2.113 10 0 BEAERO C[N@H+](CCc1ccccn1)C[C@H]1CCC[C@@H](O)C1 ZINC000310866747 411287551 /nfs/dbraw/zinc/28/75/51/411287551.db2.gz PAGUEBAZCCVSGL-DZGCQCFKSA-N 1 0 248.370 2.107 10 0 BEAERO CC1(C)CC([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000309112349 167887943 /nfs/dbraw/zinc/88/79/43/167887943.db2.gz KCHZCJNUZODJIF-ZYHUDNBSSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)[C@@H]1C ZINC000658355558 411298282 /nfs/dbraw/zinc/29/82/82/411298282.db2.gz IMBBJGROVUSHLQ-LQVBTDEGSA-N 1 0 211.349 2.172 10 0 BEAERO OCC1CC([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000658355460 411298312 /nfs/dbraw/zinc/29/83/12/411298312.db2.gz HVRORNDTKSZBLU-UHFFFAOYSA-N 1 0 249.329 2.432 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]C2CC(CO)C2)c(C)o1 ZINC000658355445 411298447 /nfs/dbraw/zinc/29/84/47/411298447.db2.gz HRDVKYQUULYHBM-OIKLOGQESA-N 1 0 223.316 2.318 10 0 BEAERO CC(C)(C)CCCNC(=O)C1CCC([NH3+])CC1 ZINC000313241074 411299843 /nfs/dbraw/zinc/29/98/43/411299843.db2.gz GAYRUVZHDRAAMM-UHFFFAOYSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)c1nsc(N[C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000129530338 411304629 /nfs/dbraw/zinc/30/46/29/411304629.db2.gz LENQCTIFGMGFOW-DTWKUNHWSA-N 1 0 240.376 2.214 10 0 BEAERO [NH3+]C1(CNc2ccc(Cl)cn2)CCCC1 ZINC000656610179 411308922 /nfs/dbraw/zinc/30/89/22/411308922.db2.gz CFMGHECWSZETIK-UHFFFAOYSA-N 1 0 225.723 2.418 10 0 BEAERO C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658242852 411310536 /nfs/dbraw/zinc/31/05/36/411310536.db2.gz LTCAFGVZXZZIPQ-WCQYABFASA-N 1 0 238.375 2.023 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000658243385 411310653 /nfs/dbraw/zinc/31/06/53/411310653.db2.gz CUEBQSVKRGGZTG-STQMWFEESA-N 1 0 246.354 2.124 10 0 BEAERO [NH3+]CC12CC(C1)CN2c1ccc2ccccc2n1 ZINC000656611796 411310645 /nfs/dbraw/zinc/31/06/45/411310645.db2.gz JZWCABYDFOVCJU-UHFFFAOYSA-N 1 0 239.322 2.162 10 0 BEAERO Cc1ncc([C@H]([NH3+])[C@]2(C)C[C@@H]2F)s1 ZINC000575466695 411312271 /nfs/dbraw/zinc/31/22/71/411312271.db2.gz PWNLPTIZNDHVCB-XHNCKOQMSA-N 1 0 200.282 2.199 10 0 BEAERO Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1O ZINC000311145205 411320899 /nfs/dbraw/zinc/32/08/99/411320899.db2.gz ZHOXNKSQDCRHSX-LLVKDONJSA-N 1 0 248.326 2.171 10 0 BEAERO CCC[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)CCO1 ZINC000660135009 411252599 /nfs/dbraw/zinc/25/25/99/411252599.db2.gz VHWWBDKCZDDZDU-MELADBBJSA-N 1 0 241.375 2.038 10 0 BEAERO CC1([NH3+])CCN(c2ccc(Cl)cn2)CC1 ZINC000114306545 411259723 /nfs/dbraw/zinc/25/97/23/411259723.db2.gz OGFVDNCBUSLQSW-UHFFFAOYSA-N 1 0 225.723 2.053 10 0 BEAERO CCC[C@H](CC)NC(=O)C1CCC([NH3+])CC1 ZINC000050405178 411261199 /nfs/dbraw/zinc/26/11/99/411261199.db2.gz PUYLKKANVQOQPM-MCIGGMRASA-N 1 0 226.364 2.199 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658351005 411352040 /nfs/dbraw/zinc/35/20/40/411352040.db2.gz JKXZORYQOUJWBR-DCBWTQNWSA-N 1 0 219.328 2.417 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000658350386 411352304 /nfs/dbraw/zinc/35/23/04/411352304.db2.gz DENSHFPPIHJSAZ-ABIUDSBCSA-N 1 0 231.339 2.425 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)C1CCCCC1 ZINC000658351881 411354490 /nfs/dbraw/zinc/35/44/90/411354490.db2.gz QKWMWMGDMCGIBD-ZBOXLXRLSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)o1 ZINC000658351989 411354765 /nfs/dbraw/zinc/35/47/65/411354765.db2.gz SADFXCLYPDSLBG-KPPDAEKUSA-N 1 0 209.289 2.010 10 0 BEAERO COc1ccccc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658352229 411355270 /nfs/dbraw/zinc/35/52/70/411355270.db2.gz VJTOFRZPOCAOOM-VOMCLLRMSA-N 1 0 235.327 2.117 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658352228 411355459 /nfs/dbraw/zinc/35/54/59/411355459.db2.gz VJTOFRZPOCAOOM-UNXYVOJBSA-N 1 0 235.327 2.117 10 0 BEAERO COc1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658352165 411355494 /nfs/dbraw/zinc/35/54/94/411355494.db2.gz UDZOBVXVMSBFKX-ZBOXLXRLSA-N 1 0 235.327 2.117 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000658352831 411356041 /nfs/dbraw/zinc/35/60/41/411356041.db2.gz BDQFEKLDBHCEPW-HOFDXXJLSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@H]1CCCCC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000658352958 411356353 /nfs/dbraw/zinc/35/63/53/411356353.db2.gz IPMRPLZEWFPWQU-WTIISPKJSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]1CCCN(c2ncccc2Cl)[C@@H]1C[NH3+] ZINC000069727382 411358687 /nfs/dbraw/zinc/35/86/87/411358687.db2.gz VQMRFNSOLGDKIA-GXSJLCMTSA-N 1 0 239.750 2.299 10 0 BEAERO CC1(CNC(=O)C[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000104430857 168030256 /nfs/dbraw/zinc/03/02/56/168030256.db2.gz IQKFEADRPNMHFO-LBPRGKRZSA-N 1 0 238.375 2.215 10 0 BEAERO CC(C)(C)[C@H]([NH3+])C(=O)NC1(C)CCCCC1 ZINC000045047007 168058183 /nfs/dbraw/zinc/05/81/83/168058183.db2.gz PVLHKQKHUIHETN-SNVBAGLBSA-N 1 0 226.364 2.199 10 0 BEAERO CC1=C(CC2=[NH+]CCN2)Cc2ccccc21 ZINC000100688753 168087355 /nfs/dbraw/zinc/08/73/55/168087355.db2.gz IAAPCMDPYJWYNE-UHFFFAOYSA-N 1 0 212.296 2.408 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CC(C)C1 ZINC000348117637 168145283 /nfs/dbraw/zinc/14/52/83/168145283.db2.gz MFRTUJKJUBXLEP-PYNQCMFNSA-N 1 0 211.349 2.436 10 0 BEAERO CC1CCC(CN)([N@@H+]2CCCSCC2)CC1 ZINC000042443570 168153993 /nfs/dbraw/zinc/15/39/93/168153993.db2.gz ZGEOPHAYHATION-UHFFFAOYSA-N 1 0 242.432 2.333 10 0 BEAERO CC1CCC(C[NH2+]CC2([S@](C)=O)CC2)CC1 ZINC000336776663 168155516 /nfs/dbraw/zinc/15/55/16/168155516.db2.gz GGMMXCZMAXHDOD-PPUFBPAQSA-N 1 0 243.416 2.313 10 0 BEAERO CC1CCC(CO)(Nc2cc[nH+]cc2)CC1 ZINC000053109682 168156163 /nfs/dbraw/zinc/15/61/63/168156163.db2.gz FAKKYXYORUYLJW-UHFFFAOYSA-N 1 0 220.316 2.435 10 0 BEAERO CC(C)n1cnnc1C1([NH3+])CCC(C)CC1 ZINC000054498097 168159813 /nfs/dbraw/zinc/15/98/13/168159813.db2.gz IANNUQSYSICKTN-UHFFFAOYSA-N 1 0 222.336 2.223 10 0 BEAERO CC1CCN(C(=O)[C@@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055122827 168174822 /nfs/dbraw/zinc/17/48/22/168174822.db2.gz IYKSLCFTGBMFPT-RWMBFGLXSA-N 1 0 238.375 2.008 10 0 BEAERO CC1CCN(C(=O)[C@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055122826 168175327 /nfs/dbraw/zinc/17/53/27/168175327.db2.gz IYKSLCFTGBMFPT-AGIUHOORSA-N 1 0 238.375 2.008 10 0 BEAERO CC1CC[NH+](C[C@@H](O)c2cccc(N)c2)CC1 ZINC000019731503 168183536 /nfs/dbraw/zinc/18/35/36/168183536.db2.gz BHBZITYFJNFYOR-CQSZACIVSA-N 1 0 234.343 2.034 10 0 BEAERO CC1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2N)CC1 ZINC000023069622 168185960 /nfs/dbraw/zinc/18/59/60/168185960.db2.gz VNHAAJAJYUQMII-FRRDWIJNSA-N 1 0 210.365 2.234 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1c[nH]nn1 ZINC000616615883 411390897 /nfs/dbraw/zinc/39/08/97/411390897.db2.gz WVJZQRXMRUCQCM-JTQLQIEISA-N 1 0 208.309 2.130 10 0 BEAERO CNc1ccc([C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616615808 411391044 /nfs/dbraw/zinc/39/10/44/411391044.db2.gz BOQODRRXPHXQFO-AWEZNQCLSA-N 1 0 234.343 2.248 10 0 BEAERO CCC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000082368903 168253332 /nfs/dbraw/zinc/25/33/32/168253332.db2.gz YWWQSQGMLOADOH-ZDUSSCGKSA-N 1 0 217.312 2.488 10 0 BEAERO CCC(C)(C)C(=O)N(C)CCC1CC[NH2+]CC1 ZINC000054402271 168260973 /nfs/dbraw/zinc/26/09/73/168260973.db2.gz FOGJLSIFOBUWSR-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000054402290 168264512 /nfs/dbraw/zinc/26/45/12/168264512.db2.gz RKZPJBLUPPPURH-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000054402264 168268250 /nfs/dbraw/zinc/26/82/50/168268250.db2.gz KCVLKJXHWYAECM-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1cccnc1 ZINC000042226148 168289915 /nfs/dbraw/zinc/28/99/15/168289915.db2.gz NIMIUBMXULVIQV-NSHDSACASA-N 1 0 249.358 2.037 10 0 BEAERO CCC(C)(C)NC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055122878 168291408 /nfs/dbraw/zinc/29/14/08/168291408.db2.gz ZCCSZQCCMHYYKT-MNOVXSKESA-N 1 0 226.364 2.199 10 0 BEAERO Cc1cc(N[C@H]2CNc3ccccc3C2)cc[nH+]1 ZINC000404457883 411397670 /nfs/dbraw/zinc/39/76/70/411397670.db2.gz XQVRECBCWZEWRN-CQSZACIVSA-N 1 0 239.322 2.261 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000659340756 411400121 /nfs/dbraw/zinc/40/01/21/411400121.db2.gz XGXMIIBWDRFWGE-GRYCIOLGSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070307709 411402277 /nfs/dbraw/zinc/40/22/77/411402277.db2.gz MZMBNPONBKBGTP-NWDGAFQWSA-N 1 0 238.375 2.071 10 0 BEAERO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000125941974 411408945 /nfs/dbraw/zinc/40/89/45/411408945.db2.gz DYAMITBGMNDTBP-DGCLKSJQSA-N 1 0 221.275 2.192 10 0 BEAERO COc1ccc([C@@H]2COCCC[N@@H+]2C)cc1 ZINC000616648978 411411180 /nfs/dbraw/zinc/41/11/80/411411180.db2.gz ILVNVDJWHYCTKW-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO CC[N@@H+]1CCCOC[C@H]1c1ccc(OC)cc1 ZINC000616648251 411411280 /nfs/dbraw/zinc/41/12/80/411411280.db2.gz CQWUFPRAQKAHJR-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO CCN(CCOC)c1ccc(F)cc1[C@H](C)[NH3+] ZINC000042493439 169867567 /nfs/dbraw/zinc/86/75/67/169867567.db2.gz DQZYHLHLNAGGLU-JTQLQIEISA-N 1 0 240.322 2.318 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc(C2CCCC2)no1 ZINC000070999591 411428107 /nfs/dbraw/zinc/42/81/07/411428107.db2.gz DNORMTGIDFKHQA-SNVBAGLBSA-N 1 0 223.320 2.253 10 0 BEAERO CCN(C[C@H](C)C[NH3+])c1nncc2ccccc21 ZINC000042442139 169890091 /nfs/dbraw/zinc/89/00/91/169890091.db2.gz WSMXSIQNMWCBQR-LLVKDONJSA-N 1 0 244.342 2.051 10 0 BEAERO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1C ZINC000216445376 411434044 /nfs/dbraw/zinc/43/40/44/411434044.db2.gz YUBJWMLHSPWVPR-MGPQQGTHSA-N 1 0 249.354 2.041 10 0 BEAERO CC[C@@H]([NH2+]CCc1nc(C)no1)C(C)(C)C ZINC000336734732 411454324 /nfs/dbraw/zinc/45/43/24/411454324.db2.gz LDMBKSIQOCMMJJ-SNVBAGLBSA-N 1 0 225.336 2.335 10 0 BEAERO CC[C@@H]([NH2+]Cc1cnc2n1CCC2)C(C)C ZINC000657328848 411467450 /nfs/dbraw/zinc/46/74/50/411467450.db2.gz FZXJIMPPVHTDGD-GFCCVEGCSA-N 1 0 221.348 2.354 10 0 BEAERO COCc1csc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000657346229 411470177 /nfs/dbraw/zinc/47/01/77/411470177.db2.gz FQBNGBXDPJQIBS-GZMMTYOYSA-N 1 0 211.330 2.393 10 0 BEAERO COCc1csc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000657346232 411470902 /nfs/dbraw/zinc/47/09/02/411470902.db2.gz FQBNGBXDPJQIBS-LDYMZIIASA-N 1 0 211.330 2.393 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658354242 411475148 /nfs/dbraw/zinc/47/51/48/411475148.db2.gz YQTKCWYUJCEPNQ-HTAVTVPLSA-N 1 0 209.333 2.070 10 0 BEAERO CC[N@H+](Cc1ccoc1)[C@@H]1CCC[C@H]1O ZINC000659871032 411484005 /nfs/dbraw/zinc/48/40/05/411484005.db2.gz LMIQIHPJRDSAQO-VXGBXAGGSA-N 1 0 209.289 2.015 10 0 BEAERO CCN(c1cc(N)cc[nH+]1)C1CCCC1 ZINC000043568921 169941332 /nfs/dbraw/zinc/94/13/32/169941332.db2.gz GYEHBSUVWUZHCR-UHFFFAOYSA-N 1 0 205.305 2.433 10 0 BEAERO CCN(c1nc2ccccn2c1C[NH3+])C(C)C ZINC000035449135 169944696 /nfs/dbraw/zinc/94/46/96/169944696.db2.gz AZYUOHKSGYAOAR-UHFFFAOYSA-N 1 0 232.331 2.028 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657385882 411489386 /nfs/dbraw/zinc/48/93/86/411489386.db2.gz UPYPHWTYNSDWEY-ZYHUDNBSSA-N 1 0 219.332 2.108 10 0 BEAERO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000660078700 411534404 /nfs/dbraw/zinc/53/44/04/411534404.db2.gz YTPQCJDKCXUCDM-LXTVHRRPSA-N 1 0 234.387 2.203 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cncc(F)c2)CO1 ZINC000657430686 411507845 /nfs/dbraw/zinc/50/78/45/411507845.db2.gz ANXCWERSZOPVBP-JIMOISOXSA-N 1 0 238.306 2.439 10 0 BEAERO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000660000591 411525926 /nfs/dbraw/zinc/52/59/26/411525926.db2.gz YLTVOFNDYNWLEX-YVECIDJPSA-N 1 0 211.349 2.410 10 0 BEAERO CCN1CC[C@@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655778 170011685 /nfs/dbraw/zinc/01/16/85/170011685.db2.gz HACCXFVGOBDVMD-QWHCGFSZSA-N 1 0 210.365 2.345 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2ccc(N)cc2F)C1 ZINC000037643671 170017299 /nfs/dbraw/zinc/01/72/99/170017299.db2.gz YGSODRRBWNKZTI-SNVBAGLBSA-N 1 0 237.322 2.162 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000037670750 170017310 /nfs/dbraw/zinc/01/73/10/170017310.db2.gz BFXAHLWXJXFGQG-GFCCVEGCSA-N 1 0 219.332 2.144 10 0 BEAERO CCN1CC[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000328199372 170020483 /nfs/dbraw/zinc/02/04/83/170020483.db2.gz RODLHYPMUOXWLJ-UPJWGTAASA-N 1 0 224.392 2.495 10 0 BEAERO CC[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000028007144 170025024 /nfs/dbraw/zinc/02/50/24/170025024.db2.gz JTFQEMMAIKTXMV-UHFFFAOYSA-N 1 0 227.311 2.455 10 0 BEAERO CCN1CCc2nc(C[NH2+]C(C)C)sc2C1 ZINC000053295471 170025811 /nfs/dbraw/zinc/02/58/11/170025811.db2.gz QYXCTXMGBQPQFU-UHFFFAOYSA-N 1 0 239.388 2.019 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccs2)C1 ZINC000336753924 170032277 /nfs/dbraw/zinc/03/22/77/170032277.db2.gz HCUNMUGDDUWZOL-ZYHUDNBSSA-N 1 0 224.373 2.178 10 0 BEAERO CC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062571002 170032548 /nfs/dbraw/zinc/03/25/48/170032548.db2.gz LDWSBQXBKJWAHS-QWHCGFSZSA-N 1 0 212.381 2.351 10 0 BEAERO CCN1C[C@H]([NH2+]C[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000336776215 170034927 /nfs/dbraw/zinc/03/49/27/170034927.db2.gz FCWDIAMBPLHFQM-MJBXVCDLSA-N 1 0 222.376 2.273 10 0 BEAERO CCN1C[C@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000336777157 170036004 /nfs/dbraw/zinc/03/60/04/170036004.db2.gz HOFINXAYNWHHNV-RYUDHWBXSA-N 1 0 242.432 2.202 10 0 BEAERO CCN1C[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000306333731 170036487 /nfs/dbraw/zinc/03/64/87/170036487.db2.gz DWPFYBUIICESKD-JSGCOSHPSA-N 1 0 218.344 2.116 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000336779666 170040031 /nfs/dbraw/zinc/04/00/31/170040031.db2.gz PCTCJRBLXIDJPX-XJFOESAGSA-N 1 0 224.392 2.495 10 0 BEAERO CCNC(=[NH2+])N1CCC(Cc2ccccc2)CC1 ZINC000052037431 170041901 /nfs/dbraw/zinc/04/19/01/170041901.db2.gz UAXRFCHOVFZZTI-UHFFFAOYSA-N 1 0 245.370 2.485 10 0 BEAERO CCNC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000051758988 170053465 /nfs/dbraw/zinc/05/34/65/170053465.db2.gz XQWRDHCLKVZZGE-SNVBAGLBSA-N 1 0 238.306 2.003 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000036780313 170065605 /nfs/dbraw/zinc/06/56/05/170065605.db2.gz UFILOMUKNKQZJT-AWEZNQCLSA-N 1 0 248.370 2.426 10 0 BEAERO CCNC(=O)Nc1ccccc1[C@H](C)[NH2+]C ZINC000035645697 170085461 /nfs/dbraw/zinc/08/54/61/170085461.db2.gz OVFSMKYBJCVNCT-VIFPVBQESA-N 1 0 221.304 2.108 10 0 BEAERO CCNC(=O)[C@H](CCC[NH3+])c1ccc(C)cc1C ZINC000076634545 170097810 /nfs/dbraw/zinc/09/78/10/170097810.db2.gz WWQJDLVCOZLSAG-CQSZACIVSA-N 1 0 248.370 2.262 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(C)c1cccc(F)c1 ZINC000061299330 170106084 /nfs/dbraw/zinc/10/60/84/170106084.db2.gz MEIBZWJQQORNMH-UHFFFAOYSA-N 1 0 238.306 2.177 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(C)c1ccccc1C ZINC000061299322 170106655 /nfs/dbraw/zinc/10/66/55/170106655.db2.gz FRGUVDJBRWVNNT-UHFFFAOYSA-N 1 0 234.343 2.346 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000061299381 170106705 /nfs/dbraw/zinc/10/67/05/170106705.db2.gz BONDGFQLJIXHPA-WDEREUQCSA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NCCCc1ccccc1 ZINC000061293318 170107274 /nfs/dbraw/zinc/10/72/74/170107274.db2.gz AGBFUPBCJQERPV-UHFFFAOYSA-N 1 0 248.370 2.124 10 0 BEAERO CC[NH2+]C(C)(C)c1nc(-c2cccs2)n[nH]1 ZINC000061152175 170107465 /nfs/dbraw/zinc/10/74/65/170107465.db2.gz WXXZEHJMKAVDKQ-UHFFFAOYSA-N 1 0 236.344 2.378 10 0 BEAERO CC[NH2+]C(C)(C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000061299626 170107820 /nfs/dbraw/zinc/10/78/20/170107820.db2.gz BCBHVKQJXVIWJD-RYUDHWBXSA-N 1 0 212.381 2.352 10 0 BEAERO CC[NH2+]C1(c2nc(C)cs2)CCOCC1 ZINC000041061070 170108384 /nfs/dbraw/zinc/10/83/84/170108384.db2.gz GWQVQXWCZUXSAD-UHFFFAOYSA-N 1 0 226.345 2.067 10 0 BEAERO CC[NH2+]C1(c2nccs2)CCSCC1 ZINC000041061012 170108471 /nfs/dbraw/zinc/10/84/71/170108471.db2.gz SBCJTFDIBUBYTA-UHFFFAOYSA-N 1 0 228.386 2.475 10 0 BEAERO CC[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000037483610 170108703 /nfs/dbraw/zinc/10/87/03/170108703.db2.gz PKQFCDDPDWGTBH-UHFFFAOYSA-N 1 0 224.373 2.322 10 0 BEAERO CC[NH2+]C1[C@@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000040768934 170109829 /nfs/dbraw/zinc/10/98/29/170109829.db2.gz TXRUHWJHPDSJOW-FUNVUKJBSA-N 1 0 210.365 2.105 10 0 BEAERO CC[NH2+]CC(=O)c1c[nH]c2ccc(OCC)cc21 ZINC000107292831 170109937 /nfs/dbraw/zinc/10/99/37/170109937.db2.gz DOKMVICUVTXEAN-UHFFFAOYSA-N 1 0 246.310 2.359 10 0 BEAERO CC[NH2+]C1CCN([C@H](C)Cc2ccco2)CC1 ZINC000042590198 170110063 /nfs/dbraw/zinc/11/00/63/170110063.db2.gz JTJCUNZDCXNYPO-GFCCVEGCSA-N 1 0 236.359 2.285 10 0 BEAERO CC[NH2+]CC1(c2cccs2)CCOCC1 ZINC000053738944 170111206 /nfs/dbraw/zinc/11/12/06/170111206.db2.gz QLEYEEJYFNLULE-UHFFFAOYSA-N 1 0 225.357 2.406 10 0 BEAERO CC[NH2+]CCC(=O)N1c2ccccc2CC[C@H]1C ZINC000061278690 170111850 /nfs/dbraw/zinc/11/18/50/170111850.db2.gz AZZLXRJPWAOTGW-GFCCVEGCSA-N 1 0 246.354 2.354 10 0 BEAERO CC[NH2+]CCC(=O)Nc1ccc(OCC)cc1 ZINC000061278663 170111906 /nfs/dbraw/zinc/11/19/06/170111906.db2.gz ZKKKIRQYDITICR-UHFFFAOYSA-N 1 0 236.315 2.023 10 0 BEAERO CC[NH2+]CCC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000061298557 170112150 /nfs/dbraw/zinc/11/21/50/170112150.db2.gz QTRMMLANZYQFSS-JTQLQIEISA-N 1 0 238.306 2.003 10 0 BEAERO CC[NH2+]CCCNc1ncnc2ccsc21 ZINC000038043478 170112810 /nfs/dbraw/zinc/11/28/10/170112810.db2.gz IRZYWEJWOHMKRJ-UHFFFAOYSA-N 1 0 236.344 2.103 10 0 BEAERO CC[NH2+]CCCOc1ccc(OC)cc1 ZINC000020361061 170112878 /nfs/dbraw/zinc/11/28/78/170112878.db2.gz YURMXNDJCGRVPU-UHFFFAOYSA-N 1 0 209.289 2.074 10 0 BEAERO CC[NH2+]CCn1ccnc1-c1ccccc1 ZINC000042410491 170118488 /nfs/dbraw/zinc/11/84/88/170118488.db2.gz BDSYUUUKKDTDEQ-UHFFFAOYSA-N 1 0 215.300 2.160 10 0 BEAERO CC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000071561556 170118852 /nfs/dbraw/zinc/11/88/52/170118852.db2.gz YMFRJEUQDSXYDD-NSHDSACASA-N 1 0 247.260 2.218 10 0 BEAERO CC[NH2+]C[C@@H](C)c1nc(-c2ccccc2)n[nH]1 ZINC000061221420 170119174 /nfs/dbraw/zinc/11/91/74/170119174.db2.gz LAUZRSWKTJGUAD-SNVBAGLBSA-N 1 0 230.315 2.185 10 0 BEAERO CC[NH2+]C[C@@H](C)n1cnc2ccccc21 ZINC000052576466 170119407 /nfs/dbraw/zinc/11/94/07/170119407.db2.gz KKKBNJIVHWXSER-SNVBAGLBSA-N 1 0 203.289 2.207 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037871977 170119603 /nfs/dbraw/zinc/11/96/03/170119603.db2.gz CQYQVBWQNWIPAL-CQSZACIVSA-N 1 0 215.296 2.483 10 0 BEAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000020096528 170119769 /nfs/dbraw/zinc/11/97/69/170119769.db2.gz IZMDRFWXHALJNR-AWEZNQCLSA-N 1 0 218.344 2.433 10 0 BEAERO CC[NH2+]C[C@@H]1CCCN1Cc1ccccc1F ZINC000053648415 170120349 /nfs/dbraw/zinc/12/03/49/170120349.db2.gz WUIUDBIEZLPLBH-ZDUSSCGKSA-N 1 0 236.334 2.400 10 0 BEAERO CC[NH2+]C[C@@](O)(CC)c1ccc(C)cc1 ZINC000032011847 170121253 /nfs/dbraw/zinc/12/12/53/170121253.db2.gz HPNZMKVPSAWDTC-ZDUSSCGKSA-N 1 0 207.317 2.202 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000061227856 170122068 /nfs/dbraw/zinc/12/20/68/170122068.db2.gz BGSCAWMIMGMWJR-LBPRGKRZSA-N 1 0 234.343 2.488 10 0 BEAERO CC[NH2+]C[C@H](C)n1cnc2ccccc21 ZINC000052576467 170122275 /nfs/dbraw/zinc/12/22/75/170122275.db2.gz KKKBNJIVHWXSER-JTQLQIEISA-N 1 0 203.289 2.207 10 0 BEAERO CC[NH2+]C[C@H](O)c1cc(C)c(C)cc1C ZINC000071510815 170122429 /nfs/dbraw/zinc/12/24/29/170122429.db2.gz SUWMIILTSHRXDH-ZDUSSCGKSA-N 1 0 207.317 2.255 10 0 BEAERO CC[NH2+]C[C@H]1CCCCN1c1nccs1 ZINC000053698211 170122504 /nfs/dbraw/zinc/12/25/04/170122504.db2.gz AFWVQXSXESZMII-SNVBAGLBSA-N 1 0 225.361 2.112 10 0 BEAERO CC[NH2+]C[C@H]1CC12Cc1ccccc1C2 ZINC000054591634 170122747 /nfs/dbraw/zinc/12/27/47/170122747.db2.gz BKEZWRVLXPMKAC-CYBMUJFWSA-N 1 0 201.313 2.401 10 0 BEAERO CC[NH2+]C[C@H](O)c1c(C)cc(C)cc1C ZINC000049814020 170122825 /nfs/dbraw/zinc/12/28/25/170122825.db2.gz OAIIEHKNKXCCSN-LBPRGKRZSA-N 1 0 207.317 2.255 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(OCC)c(C)c1 ZINC000071531152 170122906 /nfs/dbraw/zinc/12/29/06/170122906.db2.gz RDIVAKTZJYSROY-LBPRGKRZSA-N 1 0 223.316 2.037 10 0 BEAERO CC[NH2+]C[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000071561554 170122907 /nfs/dbraw/zinc/12/29/07/170122907.db2.gz PWXRXYPATYNQNR-LLVKDONJSA-N 1 0 247.260 2.218 10 0 BEAERO CC[NH2+]C[C@H](c1ccccc1)N1CCO[C@H](C)C1 ZINC000052382756 170122956 /nfs/dbraw/zinc/12/29/56/170122956.db2.gz IUINVTVMVOZJKE-UKRRQHHQSA-N 1 0 248.370 2.058 10 0 BEAERO CC[NH2+]C[C@H](c1ccccc1)n1cc(C)cn1 ZINC000052577034 170123124 /nfs/dbraw/zinc/12/31/24/170123124.db2.gz AINUZGYFLMBWGN-CQSZACIVSA-N 1 0 229.327 2.390 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2cccc(N(C)C)c2)C1 ZINC000076514806 170123271 /nfs/dbraw/zinc/12/32/71/170123271.db2.gz GPKNYAGXLDFBQK-CYBMUJFWSA-N 1 0 247.386 2.188 10 0 BEAERO CC[NH2+]Cc1c(C)nc(-c2ccncc2)nc1C ZINC000054854132 170124199 /nfs/dbraw/zinc/12/41/99/170124199.db2.gz ONRMYOGTEDGBDJ-UHFFFAOYSA-N 1 0 242.326 2.265 10 0 BEAERO CC[NH2+]Cc1cc(N2CCC[C@H]2C)ccn1 ZINC000051398841 170125771 /nfs/dbraw/zinc/12/57/71/170125771.db2.gz XHFLNWOHKOZQHD-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1ccc(-n2cccn2)c(C)c1 ZINC000050562401 170126461 /nfs/dbraw/zinc/12/64/61/170126461.db2.gz DVNKVPVFKMZQGU-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1csc([C@H]2CCCO2)n1 ZINC000062214638 170130343 /nfs/dbraw/zinc/13/03/43/170130343.db2.gz AVEYJCONPYWKTG-SECBINFHSA-N 1 0 212.318 2.104 10 0 BEAERO CC[NH2+]Cc1ccc(-c2cnn(C)c2)cc1F ZINC000038073114 170126916 /nfs/dbraw/zinc/12/69/16/170126916.db2.gz RTDAYTDAVSTYNQ-UHFFFAOYSA-N 1 0 233.290 2.336 10 0 BEAERO CC[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000038003538 170127993 /nfs/dbraw/zinc/12/79/93/170127993.db2.gz SYOWJXRSONIIIY-UHFFFAOYSA-N 1 0 246.232 2.297 10 0 BEAERO CC[NH2+]Cc1cccc(OC)c1OCC(F)F ZINC000037755554 170128460 /nfs/dbraw/zinc/12/84/60/170128460.db2.gz AZCOIFICBUNYAR-UHFFFAOYSA-N 1 0 245.269 2.449 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)NC1CC1 ZINC000054457634 170129238 /nfs/dbraw/zinc/12/92/38/170129238.db2.gz JIMYIZOSGYEFNI-UHFFFAOYSA-N 1 0 233.315 2.080 10 0 BEAERO CC[NH2+]Cc1ccnc(C2CCCC2)n1 ZINC000054791294 170129255 /nfs/dbraw/zinc/12/92/55/170129255.db2.gz UDRWIONBGMHTRN-UHFFFAOYSA-N 1 0 205.305 2.244 10 0 BEAERO CC[NH2+]Cc1ccnc(N2CC[C@@H](C)C2)c1 ZINC000051448330 170129714 /nfs/dbraw/zinc/12/97/14/170129714.db2.gz JCXBZWLGBWUINC-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1cnn(Cc2ccccc2)c1C ZINC000042355615 170129912 /nfs/dbraw/zinc/12/99/12/170129912.db2.gz MEDDZWVQAUFOKX-UHFFFAOYSA-N 1 0 229.327 2.349 10 0 BEAERO CC[NH2+]Cc1cnc(N2CC[C@@H](C)C2)s1 ZINC000054905905 170130156 /nfs/dbraw/zinc/13/01/56/170130156.db2.gz YTPPYDYQMGQFLB-SECBINFHSA-N 1 0 225.361 2.099 10 0 BEAERO CC[NH2+]Cc1cnc(N2CCC[C@H]2C)s1 ZINC000054899003 170130702 /nfs/dbraw/zinc/13/07/02/170130702.db2.gz NUJLOKQUDZFBAF-SECBINFHSA-N 1 0 225.361 2.241 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccccc2F)c1C ZINC000042355627 170130791 /nfs/dbraw/zinc/13/07/91/170130791.db2.gz VTLMDCDSDZCHON-UHFFFAOYSA-N 1 0 233.290 2.429 10 0 BEAERO CC[NH2+]Cc1cnc(N2CCC[C@H](C)C2)s1 ZINC000054900620 170130966 /nfs/dbraw/zinc/13/09/66/170130966.db2.gz HEOMQVYICOLDJP-JTQLQIEISA-N 1 0 239.388 2.489 10 0 BEAERO CC[NH2+]Cc1nc2c(cccc2Cl)[nH]1 ZINC000044624092 170131583 /nfs/dbraw/zinc/13/15/83/170131583.db2.gz AQPPKSHKKSTOKT-UHFFFAOYSA-N 1 0 209.680 2.326 10 0 BEAERO CC[NH2+]Cc1nccn1CCc1ccccc1 ZINC000051005014 170131784 /nfs/dbraw/zinc/13/17/84/170131784.db2.gz ONTSVPGIKVPWRY-UHFFFAOYSA-N 1 0 229.327 2.235 10 0 BEAERO CC[NH2+]Cc1sc(CCOC)nc1C1CC1 ZINC000082435294 170132893 /nfs/dbraw/zinc/13/28/93/170132893.db2.gz VTBCMWJUSUFEHT-UHFFFAOYSA-N 1 0 240.372 2.319 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)c1ccc(OCC)c(F)c1 ZINC000071549355 170137641 /nfs/dbraw/zinc/13/76/41/170137641.db2.gz PHNABNVKWKALDS-VIFPVBQESA-N 1 0 239.290 2.405 10 0 BEAERO CC[NH2+][C@@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000037869553 170138384 /nfs/dbraw/zinc/13/83/84/170138384.db2.gz GMXUDTKCVOTIFT-SECBINFHSA-N 1 0 247.125 2.129 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nc2cc(F)ccc2[nH]1 ZINC000061181865 170140327 /nfs/dbraw/zinc/14/03/27/170140327.db2.gz RKBCUCYMERKKAB-QMMMGPOBSA-N 1 0 221.279 2.243 10 0 BEAERO CC[NH2+][C@@H](C)c1cnn(C[C@@H]2CCCCO2)c1 ZINC000054721250 170142712 /nfs/dbraw/zinc/14/27/12/170142712.db2.gz VKYGEAKLLMJJLF-AAEUAGOBSA-N 1 0 237.347 2.123 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc(-c2cnccn2)s1 ZINC000054159742 170143348 /nfs/dbraw/zinc/14/33/48/170143348.db2.gz HSGBRYAURJOINL-QMMMGPOBSA-N 1 0 234.328 2.271 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1cccc(F)c1 ZINC000035570349 170145734 /nfs/dbraw/zinc/14/57/34/170145734.db2.gz ZHFXMHUWQGOJAN-LBPRGKRZSA-N 1 0 233.290 2.442 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)Cc1ccccc1C ZINC000035570216 170146587 /nfs/dbraw/zinc/14/65/87/170146587.db2.gz CKIDZVNENBFZIZ-CQSZACIVSA-N 1 0 243.354 2.481 10 0 BEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1C[C@@H]1C ZINC000035556735 170148765 /nfs/dbraw/zinc/14/87/65/170148765.db2.gz NFPAAYZPFUFCBH-PLMOITTCSA-N 1 0 246.310 2.428 10 0 BEAERO CC[NH2+][C@@H](c1cccnc1)c1cncc(F)c1 ZINC000049576295 170148826 /nfs/dbraw/zinc/14/88/26/170148826.db2.gz BGCLBHMBCFCICB-ZDUSSCGKSA-N 1 0 231.274 2.315 10 0 BEAERO CC[NH2+][C@@H]1CC(C)(C)Cc2ncncc21 ZINC000050101226 170150019 /nfs/dbraw/zinc/15/00/19/170150019.db2.gz KEQYYUXZOUZCBH-SNVBAGLBSA-N 1 0 205.305 2.100 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000043814331 170150594 /nfs/dbraw/zinc/15/05/94/170150594.db2.gz GJAQJOSYRKSZPW-CHWSQXEVSA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@@H]1n1ccnc1C ZINC000043993782 170150796 /nfs/dbraw/zinc/15/07/96/170150796.db2.gz JGCYUMOGNFLGAV-NEPJUHHUSA-N 1 0 207.321 2.285 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@H]1OC1CCOCC1 ZINC000049898983 170150840 /nfs/dbraw/zinc/15/08/40/170150840.db2.gz FINGIGZGKIOHMZ-CHWSQXEVSA-N 1 0 227.348 2.103 10 0 BEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1n1ccnc1 ZINC000043992899 170151000 /nfs/dbraw/zinc/15/10/00/170151000.db2.gz WNIQRWVHPINLPW-NEPJUHHUSA-N 1 0 207.321 2.366 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCc2ccc(F)cc2)C1 ZINC000037241126 170151220 /nfs/dbraw/zinc/15/12/20/170151220.db2.gz XBRSGOWUMJUFBR-CQSZACIVSA-N 1 0 236.334 2.052 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@H]1N1CCC(C)CC1 ZINC000043806636 170151316 /nfs/dbraw/zinc/15/13/16/170151316.db2.gz DVXOIIILVFUBOK-CHWSQXEVSA-N 1 0 210.365 2.249 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC000037242277 170151656 /nfs/dbraw/zinc/15/16/56/170151656.db2.gz WRZAGQKVMPGGAR-CYBMUJFWSA-N 1 0 222.307 2.010 10 0 BEAERO CC[NH2+][C@@H]1CCC[S@](=O)c2ccc(F)cc21 ZINC000040974228 170151690 /nfs/dbraw/zinc/15/16/90/170151690.db2.gz KMKOGNQFSHIOJN-BDJLRTHQSA-N 1 0 241.331 2.378 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(C)cc2)C1=O ZINC000049660298 170151734 /nfs/dbraw/zinc/15/17/34/170151734.db2.gz KKRNDMPBBVNEIW-GXTWGEPZSA-N 1 0 246.354 2.266 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000037241917 170151930 /nfs/dbraw/zinc/15/19/30/170151930.db2.gz HGGGFUXTKKSXCQ-CYBMUJFWSA-N 1 0 222.307 2.010 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@H](C)c2ccc(C)cc2)C1=O ZINC000049660301 170152828 /nfs/dbraw/zinc/15/28/28/170152828.db2.gz KKRNDMPBBVNEIW-TZMCWYRMSA-N 1 0 246.354 2.266 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(C)ccc2C)C1 ZINC000037240190 170152897 /nfs/dbraw/zinc/15/28/97/170152897.db2.gz KRRFDMXKFDCMHF-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(C)cc(C)c2)C1 ZINC000037242003 170153030 /nfs/dbraw/zinc/15/30/30/170153030.db2.gz VSMWXCWEFSXTSY-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@@H]1CCOC[C@H]1Cc1cccc(F)c1 ZINC000095091505 170153060 /nfs/dbraw/zinc/15/30/60/170153060.db2.gz QAUXKHASNAOBNA-TZMCWYRMSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2C)C1=O ZINC000049659969 170153135 /nfs/dbraw/zinc/15/31/35/170153135.db2.gz UZCUWDBAAICPHK-TZMCWYRMSA-N 1 0 246.354 2.266 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccsc2)C1 ZINC000061363805 170153173 /nfs/dbraw/zinc/15/31/73/170153173.db2.gz JJNRREGKSZDHSO-CMPLNLGQSA-N 1 0 224.373 2.493 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2cccs2)C1 ZINC000037483673 170153176 /nfs/dbraw/zinc/15/31/76/170153176.db2.gz JGHZKUMZVDCIAS-WDEREUQCSA-N 1 0 224.373 2.493 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2C)C1 ZINC000037241764 170153263 /nfs/dbraw/zinc/15/32/63/170153263.db2.gz SDAXJNUUYRIUAW-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049647877 170153304 /nfs/dbraw/zinc/15/33/04/170153304.db2.gz DIAJPDSZOFFGCX-CYBMUJFWSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@@H]1CCc2c1cc(OC)cc2OC ZINC000042405292 170153377 /nfs/dbraw/zinc/15/33/77/170153377.db2.gz IJJWHNVDODWGRO-GFCCVEGCSA-N 1 0 221.300 2.301 10 0 BEAERO CC[NH2+][C@@H]1CC[S@@](=O)c2c(F)ccc(F)c21 ZINC000040977579 170153551 /nfs/dbraw/zinc/15/35/51/170153551.db2.gz ICVIFZYIUZIEHH-ABKXIKBNSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@@H]1CC[S@@](=O)c2c(C)ccc(C)c21 ZINC000040974412 170153647 /nfs/dbraw/zinc/15/36/47/170153647.db2.gz FGXHCGGUUBNRNP-BZNIZROVSA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@@H]1COc2cc(Cl)ccc2C1 ZINC000206517082 170154514 /nfs/dbraw/zinc/15/45/14/170154514.db2.gz NPDVQSJVAKDLHT-JTQLQIEISA-N 1 0 211.692 2.253 10 0 BEAERO CCN[C@@](CC)(C(=O)OC)c1ccc(C)cc1 ZINC000037446698 170154688 /nfs/dbraw/zinc/15/46/88/170154688.db2.gz JODIGRCYGHWOEC-CQSZACIVSA-N 1 0 235.327 2.383 10 0 BEAERO CC[NH2+][C@@](C)(CO)c1ccc(C)c(C)c1 ZINC000038120247 170155256 /nfs/dbraw/zinc/15/52/56/170155256.db2.gz YBSIAODCBCKTDG-ZDUSSCGKSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000061272061 170156751 /nfs/dbraw/zinc/15/67/51/170156751.db2.gz DWBYERDGLNWVNN-YNEHKIRRSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N1CCC(C)(C)CC1 ZINC000061820986 170157107 /nfs/dbraw/zinc/15/71/07/170157107.db2.gz WFSYPELGAKVCSN-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CC[NH2+][C@H](C)[C@@H](O)c1cc(CC)ccc1OC ZINC000071548280 170158382 /nfs/dbraw/zinc/15/83/82/170158382.db2.gz ZJAONYJPEPYEAO-QMTHXVAHSA-N 1 0 237.343 2.289 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2cc(C)ccc2[nH]1 ZINC000061181828 170158457 /nfs/dbraw/zinc/15/84/57/170158457.db2.gz FJBXTGLLLDYXAW-SNVBAGLBSA-N 1 0 217.316 2.412 10 0 BEAERO CC[NH2+][C@H](C)c1cnn(-c2ccccn2)c1C ZINC000040932710 170159706 /nfs/dbraw/zinc/15/97/06/170159706.db2.gz ZFEACAKNIYGUNP-SNVBAGLBSA-N 1 0 230.315 2.246 10 0 BEAERO CC[NH2+][C@H](C)c1nnc(-c2scnc2C)o1 ZINC000050618778 170159735 /nfs/dbraw/zinc/15/97/35/170159735.db2.gz LHJIWSVSXBRQJC-SSDOTTSWSA-N 1 0 238.316 2.172 10 0 BEAERO CC[NH2+][C@H](C1=CCCCCC1)[C@@H]1COCCO1 ZINC000055301335 170160870 /nfs/dbraw/zinc/16/08/70/170160870.db2.gz FVLGDJCSDMUJDE-UONOGXRCSA-N 1 0 239.359 2.270 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc2ccccc2c1 ZINC000038120313 170162220 /nfs/dbraw/zinc/16/22/20/170162220.db2.gz OWQCYRXWOKMCME-CQSZACIVSA-N 1 0 215.296 2.483 10 0 BEAERO CC[NH2+][C@H](COC)Cc1ccnc2ccccc12 ZINC000063026106 170162359 /nfs/dbraw/zinc/16/23/59/170162359.db2.gz KBGKOABVCZUNQW-ZDUSSCGKSA-N 1 0 244.338 2.402 10 0 BEAERO CC[NH2+][C@H](CO)c1ccccc1Br ZINC000038120413 170162534 /nfs/dbraw/zinc/16/25/34/170162534.db2.gz LILRTKAKMZBOPL-SNVBAGLBSA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+][C@H](c1ccc(C)s1)c1nccn1C ZINC000041048666 170162915 /nfs/dbraw/zinc/16/29/15/170162915.db2.gz AWVXBGDQFYYFHN-LLVKDONJSA-N 1 0 235.356 2.489 10 0 BEAERO CC[NH2+][C@H](Cc1nccn1C)c1ccccc1 ZINC000063033845 170163429 /nfs/dbraw/zinc/16/34/29/170163429.db2.gz VTGBXRYZXUUPIE-CYBMUJFWSA-N 1 0 229.327 2.313 10 0 BEAERO CC[NH2+][C@H]1CCCCC[C@H]1n1cccn1 ZINC000043989164 170165861 /nfs/dbraw/zinc/16/58/61/170165861.db2.gz IOXPSOOOFQNYIK-NWDGAFQWSA-N 1 0 207.321 2.366 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@H]1N(CC)CCOCC ZINC000104186841 170165917 /nfs/dbraw/zinc/16/59/17/170165917.db2.gz LHNZEZRVQBDBII-UONOGXRCSA-N 1 0 242.407 2.266 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000049648337 170167487 /nfs/dbraw/zinc/16/74/87/170167487.db2.gz CAAMTUUCZJOLDG-NSHDSACASA-N 1 0 238.718 2.055 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)C2CCCCC2)C1=O ZINC000052340298 170167893 /nfs/dbraw/zinc/16/78/93/170167893.db2.gz GWCOSLTZKUWRCM-AAEUAGOBSA-N 1 0 238.375 2.166 10 0 BEAERO CC[NH2+][C@H]1CCN(CCOc2cccc(C)c2)C1 ZINC000042896845 170168009 /nfs/dbraw/zinc/16/80/09/170168009.db2.gz OJLDEWXSIXOMAB-AWEZNQCLSA-N 1 0 248.370 2.058 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccccc2C)C1 ZINC000037242173 170168100 /nfs/dbraw/zinc/16/81/00/170168100.db2.gz PZPUUIIOWGIVPU-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1OCCOC ZINC000054556368 170168913 /nfs/dbraw/zinc/16/89/13/170168913.db2.gz KDNJTOVTFLELGM-IHRRRGAJSA-N 1 0 243.391 2.452 10 0 BEAERO CC[NH2+][C@](C)(CO)c1cc(C)ccc1C ZINC000038120110 170170478 /nfs/dbraw/zinc/17/04/78/170170478.db2.gz QSVRNLYBBXSBDX-CYBMUJFWSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+][C@](C)(CO)c1ccc(C)c(C)c1 ZINC000038120248 170170744 /nfs/dbraw/zinc/17/07/44/170170744.db2.gz YBSIAODCBCKTDG-CYBMUJFWSA-N 1 0 207.317 2.120 10 0 BEAERO CCNc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000050891527 170173703 /nfs/dbraw/zinc/17/37/03/170173703.db2.gz DENGTKDYKKLDFN-UHFFFAOYSA-N 1 0 231.221 2.421 10 0 BEAERO CCNc1nc(N2CCCC2)[nH+]c(C)c1C ZINC000050864276 170177000 /nfs/dbraw/zinc/17/70/00/170177000.db2.gz CGEKKYVVWVPPCV-UHFFFAOYSA-N 1 0 220.320 2.125 10 0 BEAERO CCNc1ncccc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052723137 170178600 /nfs/dbraw/zinc/17/86/00/170178600.db2.gz XTTNQOQGRAKWEN-LLVKDONJSA-N 1 0 219.332 2.355 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccc(Cl)s1 ZINC000045686662 170209272 /nfs/dbraw/zinc/20/92/72/170209272.db2.gz CKKALPNLGWTMBW-UHFFFAOYSA-N 1 0 247.747 2.444 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000083375265 170209297 /nfs/dbraw/zinc/20/92/97/170209297.db2.gz MENGAHWDWMYNNV-UHFFFAOYSA-N 1 0 246.310 2.211 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1c[nH]c2ccccc12 ZINC000051754412 170209357 /nfs/dbraw/zinc/20/93/57/170209357.db2.gz ZUBRRKCCGVMDOA-UHFFFAOYSA-N 1 0 246.310 2.211 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083375266 170209458 /nfs/dbraw/zinc/20/94/58/170209458.db2.gz CZBBGAUHCIQKEN-UHFFFAOYSA-N 1 0 246.310 2.211 10 0 BEAERO CCOC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]1C ZINC000001593045 170266556 /nfs/dbraw/zinc/26/65/56/170266556.db2.gz KGURDCFEXZQRQY-QWRGUYRKSA-N 1 0 213.321 2.203 10 0 BEAERO CCOC(=O)c1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043325321 170298847 /nfs/dbraw/zinc/29/88/47/170298847.db2.gz JCECMRLLLIDKLF-ZDUSSCGKSA-N 1 0 248.326 2.027 10 0 BEAERO CCOCCC[NH2+]C[C@@H](C)N1CCCC[C@@H]1C ZINC000053486071 170380232 /nfs/dbraw/zinc/38/02/32/170380232.db2.gz UTDICMQVFNESEM-UONOGXRCSA-N 1 0 242.407 2.266 10 0 BEAERO CCOCCC[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000019962898 170381587 /nfs/dbraw/zinc/38/15/87/170381587.db2.gz XTYBOILFMRVJAE-NSHDSACASA-N 1 0 223.316 2.469 10 0 BEAERO CCOCCCn1c2ccccc2nc1[C@H](C)[NH3+] ZINC000040163838 170385830 /nfs/dbraw/zinc/38/58/30/170385830.db2.gz GDSZQXBRDAJTHQ-NSHDSACASA-N 1 0 247.342 2.483 10 0 BEAERO CCOCCN(CC)C(=[NH2+])Nc1ccccc1 ZINC000104199297 170392637 /nfs/dbraw/zinc/39/26/37/170392637.db2.gz SMOSPGIKRMOQRM-UHFFFAOYSA-N 1 0 235.331 2.392 10 0 BEAERO CCOCCN(CCC[NH3+])c1ccc(F)cc1 ZINC000035358872 170397001 /nfs/dbraw/zinc/39/70/01/170397001.db2.gz ZZPOZSJSEICPGS-UHFFFAOYSA-N 1 0 240.322 2.017 10 0 BEAERO CCOCCN1CC[N@H+](C[C@H](C)CC)C[C@H]1C ZINC000120451982 170399319 /nfs/dbraw/zinc/39/93/19/170399319.db2.gz FZVRRBFYSVOLGY-ZIAGYGMSSA-N 1 0 242.407 2.075 10 0 BEAERO CCOCC[NH2+]CCN(C)c1cccc(C)c1 ZINC000053427795 170411846 /nfs/dbraw/zinc/41/18/46/170411846.db2.gz HQKKDHYSXQUMCE-UHFFFAOYSA-N 1 0 236.359 2.057 10 0 BEAERO CCOCCO[C@@H](C)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000019406503 170421624 /nfs/dbraw/zinc/42/16/24/170421624.db2.gz FFJWMYCMCGJMPZ-GXTWGEPZSA-N 1 0 237.343 2.436 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657697233 411581758 /nfs/dbraw/zinc/58/17/58/411581758.db2.gz NXYMKQCTRXVXHO-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H](C[NH2+][C@H](C)COC)CC(F)F ZINC000660485859 411592682 /nfs/dbraw/zinc/59/26/82/411592682.db2.gz XXORERWGEYMCPZ-BDAKNGLRSA-N 1 0 209.280 2.292 10 0 BEAERO OCC1CC([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000657808983 411601448 /nfs/dbraw/zinc/60/14/48/411601448.db2.gz RGTZSHDQUGLFCF-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(CO)C2)C1 ZINC000657811404 411602753 /nfs/dbraw/zinc/60/27/53/411602753.db2.gz WQLYJDYTQSMLHQ-OKZRHMCRSA-N 1 0 211.349 2.173 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+]C2CC(CO)C2)C1 ZINC000657811402 411602795 /nfs/dbraw/zinc/60/27/95/411602795.db2.gz WQLYJDYTQSMLHQ-IALDZJHCSA-N 1 0 211.349 2.173 10 0 BEAERO OCC1CC([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000657813129 411604369 /nfs/dbraw/zinc/60/43/69/411604369.db2.gz RBBAOKXSECJXEM-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCCC12CC2 ZINC000657831956 411609204 /nfs/dbraw/zinc/60/92/04/411609204.db2.gz HCHMROWJFXPINA-RYUDHWBXSA-N 1 0 209.333 2.478 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657844267 411610505 /nfs/dbraw/zinc/61/05/05/411610505.db2.gz IDUSLHCGYWAITM-CHWSQXEVSA-N 1 0 242.432 2.346 10 0 BEAERO CCO[C@H](C[NH3+])COc1c(C)cc(C)cc1C ZINC000062740487 170503397 /nfs/dbraw/zinc/50/33/97/170503397.db2.gz UJTFBVWATKQJCB-CYBMUJFWSA-N 1 0 237.343 2.354 10 0 BEAERO CCCc1nccnc1N[C@@H](C)CC[NH+](C)C ZINC000663453227 411660749 /nfs/dbraw/zinc/66/07/49/411660749.db2.gz XSUQILPOCLMADX-NSHDSACASA-N 1 0 236.363 2.181 10 0 BEAERO CCOc1cc2c(cc1CC1C[NH2+]C1)O[C@H](C)C2 ZINC000019264137 170529263 /nfs/dbraw/zinc/52/92/63/170529263.db2.gz JBOJURZEELAXMC-SNVBAGLBSA-N 1 0 247.338 2.171 10 0 BEAERO CCCc1nccnc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000663662279 411717607 /nfs/dbraw/zinc/71/76/07/411717607.db2.gz TZMUKJKPDVFEES-VXGBXAGGSA-N 1 0 248.374 2.324 10 0 BEAERO CCC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000050540729 487536173 /nfs/dbraw/zinc/53/61/73/487536173.db2.gz LRYOHBVRAFBDAL-OLZOCXBDSA-N 1 0 221.348 2.131 10 0 BEAERO CCOc1ccc(CC(=[NH2+])N(C)C)cc1 ZINC000090472632 170540685 /nfs/dbraw/zinc/54/06/85/170540685.db2.gz JSUGKOPTZACVFC-UHFFFAOYSA-N 1 0 206.289 2.167 10 0 BEAERO CCC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000050540730 487536201 /nfs/dbraw/zinc/53/62/01/487536201.db2.gz LRYOHBVRAFBDAL-QWHCGFSZSA-N 1 0 221.348 2.131 10 0 BEAERO CCOc1ccc(OCCC[NH2+]C)cc1 ZINC000019669836 170556082 /nfs/dbraw/zinc/55/60/82/170556082.db2.gz VBJIBIQIBRTZGJ-UHFFFAOYSA-N 1 0 209.289 2.074 10 0 BEAERO CCOc1ccc([C@](C)(O)C[NH2+]C2CC2)cc1 ZINC000033465500 170566380 /nfs/dbraw/zinc/56/63/80/170566380.db2.gz WPYHPJRHLKOEIW-CQSZACIVSA-N 1 0 235.327 2.045 10 0 BEAERO CCOc1cccc(C[C@@H]2CC[NH2+]C2)c1 ZINC000070627695 170579955 /nfs/dbraw/zinc/57/99/55/170579955.db2.gz NZDBKMNUBMAVEP-LBPRGKRZSA-N 1 0 205.301 2.237 10 0 BEAERO CC[C@@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000054473073 170706104 /nfs/dbraw/zinc/70/61/04/170706104.db2.gz XVPBVUZFVGADTK-VOAKCMCISA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@H](C)NC(=O)C[C@H](C[NH3+])C1CCCCC1 ZINC000076622413 170741606 /nfs/dbraw/zinc/74/16/06/170741606.db2.gz WFBYRDWKRYIAOM-DGCLKSJQSA-N 1 0 240.391 2.446 10 0 BEAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])c1ccc(C)cc1 ZINC000076634133 170745136 /nfs/dbraw/zinc/74/51/36/170745136.db2.gz YJPVNAVVLCRGIO-OCCSQVGLSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@@H](C)[NH2+]CC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819598 170750276 /nfs/dbraw/zinc/75/02/76/170750276.db2.gz KACHSGYQILSSMV-YPMHNXCESA-N 1 0 249.358 2.066 10 0 BEAERO CCCc1nccnc1NCC[C@@H](C)[NH+](C)C ZINC000664241431 411895474 /nfs/dbraw/zinc/89/54/74/411895474.db2.gz DUDJBJBUYBXGNV-LLVKDONJSA-N 1 0 236.363 2.181 10 0 BEAERO CC[C@@H](C[NH3+])NC(=O)Nc1ccc(Cl)cc1 ZINC000074534101 170822351 /nfs/dbraw/zinc/82/23/51/170822351.db2.gz RTTLQEWYCWXXAH-VIFPVBQESA-N 1 0 241.722 2.199 10 0 BEAERO CC[C@@H]([NH3+])CNc1nc2ccccc2s1 ZINC000082579474 170865664 /nfs/dbraw/zinc/86/56/64/170865664.db2.gz PHZWCQCOYFAQTQ-MRVPVSSYSA-N 1 0 221.329 2.446 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)n1cccn1 ZINC000042973128 170867485 /nfs/dbraw/zinc/86/74/85/170867485.db2.gz IKXMSTZZFODUDO-CHWSQXEVSA-N 1 0 233.290 2.349 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000042912620 170868322 /nfs/dbraw/zinc/86/83/22/170868322.db2.gz MSQMNUIONQQIIV-HUUCEWRRSA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)C ZINC000043042708 170868820 /nfs/dbraw/zinc/86/88/20/170868820.db2.gz SYMAJLKDOVAPCB-NEPJUHHUSA-N 1 0 210.296 2.166 10 0 BEAERO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)C(C)(C)C ZINC000336740406 170892738 /nfs/dbraw/zinc/89/27/38/170892738.db2.gz UKGGDQNVNAFBEC-MEBBXXQBSA-N 1 0 231.405 2.312 10 0 BEAERO OC1(C[N@@H+]2CCC[C@H](C3CCC3)C2)CCC1 ZINC000662042963 411960832 /nfs/dbraw/zinc/96/08/32/411960832.db2.gz GWCBYMOYYNVGLY-ZDUSSCGKSA-N 1 0 223.360 2.414 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1OC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062920432 170968351 /nfs/dbraw/zinc/96/83/51/170968351.db2.gz PCVUJXRCXQMAGX-MBNYWOFBSA-N 1 0 239.359 2.498 10 0 BEAERO CC[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccccc2[C@@H]1N ZINC000037913636 170984239 /nfs/dbraw/zinc/98/42/39/170984239.db2.gz VBQIFFCIMQVSBV-YUELXQCFSA-N 1 0 230.355 2.486 10 0 BEAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377561294 171000152 /nfs/dbraw/zinc/00/01/52/171000152.db2.gz GXTWBDCSCMMJSS-FDYHWXHSSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000036373244 171010490 /nfs/dbraw/zinc/01/04/90/171010490.db2.gz GBPGETNVVNFQHR-ZIAGYGMSSA-N 1 0 218.344 2.246 10 0 BEAERO CC[C@@H]1CCN(Cc2ccccc2OC)CC[NH2+]1 ZINC000049661182 171012569 /nfs/dbraw/zinc/01/25/69/171012569.db2.gz YPMSPMVWFMKARJ-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CC[C@@H]1CCN(c2ccc(F)cc2)CC[NH2+]1 ZINC000049661374 171014388 /nfs/dbraw/zinc/01/43/88/171014388.db2.gz CUQKRPZFPRDURH-GFCCVEGCSA-N 1 0 222.307 2.404 10 0 BEAERO CC[C@@H]1CCN(c2cccnc2)CCC[NH2+]1 ZINC000049662972 171014579 /nfs/dbraw/zinc/01/45/79/171014579.db2.gz ICFLZWQWQZTLAC-GFCCVEGCSA-N 1 0 219.332 2.050 10 0 BEAERO CC[C@@H]1CCN([C@@H](C)Cc2ccco2)CC[NH2+]1 ZINC000049662347 171014846 /nfs/dbraw/zinc/01/48/46/171014846.db2.gz XFBDVQMNECADII-QWHCGFSZSA-N 1 0 236.359 2.285 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000308962193 171043287 /nfs/dbraw/zinc/04/32/87/171043287.db2.gz SHACIWHIGZCJJE-FVCCEPFGSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CN(C)[C@H](c2ccccc2)C[NH2+]1 ZINC000082936777 171074484 /nfs/dbraw/zinc/07/44/84/171074484.db2.gz NFXMCYCVSMGQQE-OLZOCXBDSA-N 1 0 204.317 2.041 10 0 BEAERO CC[C@@H]1C[N@H+](CCCCCCO)[C@H](CC)CN1 ZINC000083370816 171079278 /nfs/dbraw/zinc/07/92/78/171079278.db2.gz WYOLSODQJZVZDS-ZIAGYGMSSA-N 1 0 242.407 2.002 10 0 BEAERO CC[C@@H]1CN(CCc2ccccc2F)CC[NH2+]1 ZINC000083363918 171085305 /nfs/dbraw/zinc/08/53/05/171085305.db2.gz WQBAQSBFBKJANB-CYBMUJFWSA-N 1 0 236.334 2.052 10 0 BEAERO CC[C@@H]1CN(Cc2c(F)cccc2F)CC[NH2+]1 ZINC000083368270 171088543 /nfs/dbraw/zinc/08/85/43/171088543.db2.gz PZYQXSUGCUUFRN-SNVBAGLBSA-N 1 0 240.297 2.149 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000083363948 171088817 /nfs/dbraw/zinc/08/88/17/171088817.db2.gz SNIWVONVHFCYHI-BXUZGUMPSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@@H]1C[N@@H+]([C@H]2CNc3ccccc3C2)CCO1 ZINC000037761132 171095426 /nfs/dbraw/zinc/09/54/26/171095426.db2.gz YNQCIWIXBRLQSU-ZIAGYGMSSA-N 1 0 246.354 2.134 10 0 BEAERO CC[C@@H]1CN([C@](C)(C[NH3+])CCC(C)C)CCO1 ZINC000036769512 171098314 /nfs/dbraw/zinc/09/83/14/171098314.db2.gz NEPDTBQXBONADT-KGLIPLIRSA-N 1 0 242.407 2.251 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(C)o1 ZINC000245440116 171098970 /nfs/dbraw/zinc/09/89/70/171098970.db2.gz UFDOKEMNNPUMAC-OLZOCXBDSA-N 1 0 249.358 2.042 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CCc1ccccc1 ZINC000068697364 171100660 /nfs/dbraw/zinc/10/06/60/171100660.db2.gz VXGDEIQREVYTPF-DZGCQCFKSA-N 1 0 232.371 2.301 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccc1F ZINC000083363980 171101566 /nfs/dbraw/zinc/10/15/66/171101566.db2.gz ZIHXAADVTDLSJB-WCQYABFASA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1CCOc1ccccc1 ZINC000083379409 171101660 /nfs/dbraw/zinc/10/16/60/171101660.db2.gz NSPHERBOMPWDAB-UONOGXRCSA-N 1 0 248.370 2.138 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCOc1ccccc1 ZINC000083379407 171103305 /nfs/dbraw/zinc/10/33/05/171103305.db2.gz NSPHERBOMPWDAB-ZIAGYGMSSA-N 1 0 248.370 2.138 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccccc1 ZINC000082934969 171103521 /nfs/dbraw/zinc/10/35/21/171103521.db2.gz JSQDNMCJRQPWFG-TZMCWYRMSA-N 1 0 218.344 2.259 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccc(C)s2)C[NH2+]1 ZINC000036672934 171109533 /nfs/dbraw/zinc/10/95/33/171109533.db2.gz QUTDVMSSCDOOCP-NXEZZACHSA-N 1 0 211.330 2.496 10 0 BEAERO CC[C@@H]1[NH2+]CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC000095752820 171146934 /nfs/dbraw/zinc/14/69/34/171146934.db2.gz LWQBEZTZVBCXBH-QWRGUYRKSA-N 1 0 242.363 2.384 10 0 BEAERO CC[C@@H]1[NH2+]CCc2c(OC)cc(OC)cc21 ZINC000011599383 171150287 /nfs/dbraw/zinc/15/02/87/171150287.db2.gz DSJSEHXVRKMMMH-LBPRGKRZSA-N 1 0 221.300 2.301 10 0 BEAERO CC[C@@](C)(C[NH3+])N1CCc2sccc2C1 ZINC000019438021 171166336 /nfs/dbraw/zinc/16/63/36/171166336.db2.gz UYEFXUXXXHDXGQ-LBPRGKRZSA-N 1 0 224.373 2.234 10 0 BEAERO CC[C@@](C)([NH3+])c1nc(-c2cccs2)cc(=O)[nH]1 ZINC000071372505 171172622 /nfs/dbraw/zinc/17/26/22/171172622.db2.gz UFWAIXYMBNFHNX-GFCCVEGCSA-N 1 0 249.339 2.082 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccccc1F ZINC000119406853 171177504 /nfs/dbraw/zinc/17/75/04/171177504.db2.gz YCOZVRSLUBTYLY-CYBMUJFWSA-N 1 0 225.307 2.419 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000372502410 171177849 /nfs/dbraw/zinc/17/78/49/171177849.db2.gz GHIIPXRIYFNDAK-CMPLNLGQSA-N 1 0 240.372 2.441 10 0 BEAERO CC[C@@]1(c2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000054587688 171217000 /nfs/dbraw/zinc/21/70/00/171217000.db2.gz JLRNFCRXIMIMCV-AAEUAGOBSA-N 1 0 205.301 2.322 10 0 BEAERO CC[C@H](C(N)=O)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000061679412 171243268 /nfs/dbraw/zinc/24/32/68/171243268.db2.gz XSIWPLIDAWQTEF-LLVKDONJSA-N 1 0 240.734 2.036 10 0 BEAERO CC[C@H](C)C(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757815 171246168 /nfs/dbraw/zinc/24/61/68/171246168.db2.gz GSOBJXMEIDRQJH-NSHDSACASA-N 1 0 234.343 2.150 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@H](O)c1ccccc1OC ZINC000133534841 171284775 /nfs/dbraw/zinc/28/47/75/171284775.db2.gz ZRVBKBREHZOPSK-AAEUAGOBSA-N 1 0 237.343 2.364 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336738974 171284785 /nfs/dbraw/zinc/28/47/85/171284785.db2.gz RXURLWFQRMCXOU-RYUDHWBXSA-N 1 0 211.349 2.439 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020138202 171285058 /nfs/dbraw/zinc/28/50/58/171285058.db2.gz GYWSYNCOQYSNOT-NWDGAFQWSA-N 1 0 235.327 2.462 10 0 BEAERO CC[C@H](C)C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000054467773 171286267 /nfs/dbraw/zinc/28/62/67/171286267.db2.gz GUVSECVSFUSFDL-LBPRGKRZSA-N 1 0 244.342 2.403 10 0 BEAERO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(N)cc1C ZINC000037109403 171304756 /nfs/dbraw/zinc/30/47/56/171304756.db2.gz QYKSJFYDLHZGCP-NSHDSACASA-N 1 0 249.358 2.246 10 0 BEAERO CC[C@H](C)[N@H+](CCO)C[C@H]1Cc2ccccc21 ZINC000287279938 171313567 /nfs/dbraw/zinc/31/35/67/171313567.db2.gz IBRITNOHEUQTFW-GXTWGEPZSA-N 1 0 233.355 2.419 10 0 BEAERO CC[C@H](C)N(Cc1cccs1)C(=O)CC[NH3+] ZINC000033469069 171316735 /nfs/dbraw/zinc/31/67/35/171316735.db2.gz GFIKBZUREFXBPN-JTQLQIEISA-N 1 0 240.372 2.224 10 0 BEAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000035141828 171326590 /nfs/dbraw/zinc/32/65/90/171326590.db2.gz XOPRZLZPJCEUNG-VHSXEESVSA-N 1 0 240.372 2.313 10 0 BEAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1ccc(C)cc1 ZINC000057537292 171327691 /nfs/dbraw/zinc/32/76/91/171327691.db2.gz MWWANUSMKOHBSW-GXTWGEPZSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1cccs1 ZINC000076622265 171333605 /nfs/dbraw/zinc/33/36/05/171333605.db2.gz NPNCUPPQJDNTAK-UWVGGRQHSA-N 1 0 240.372 2.095 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])C1CCCCC1 ZINC000076622342 171335804 /nfs/dbraw/zinc/33/58/04/171335804.db2.gz YTFHHDGKRBYPHY-WCQYABFASA-N 1 0 240.391 2.446 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000020036558 171339050 /nfs/dbraw/zinc/33/90/50/171339050.db2.gz QIYQKFVFQPPOKJ-JTQLQIEISA-N 1 0 236.315 2.022 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1N(C)C ZINC000037617662 171339442 /nfs/dbraw/zinc/33/94/42/171339442.db2.gz DYLGPZDDNAYCSI-NSHDSACASA-N 1 0 249.358 2.079 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000037386498 171339535 /nfs/dbraw/zinc/33/95/35/171339535.db2.gz YASNGXOAWUAPKU-QMMMGPOBSA-N 1 0 242.269 2.291 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H]1CCc2ccccc21 ZINC000037617076 171339875 /nfs/dbraw/zinc/33/98/75/171339875.db2.gz LUTMUGOHRBWIDY-SMDDNHRTSA-N 1 0 246.354 2.178 10 0 BEAERO CC[C@H](C)[NH2+]CCOc1cccc(N)c1 ZINC000041217959 171339978 /nfs/dbraw/zinc/33/99/78/171339978.db2.gz BMIHUFZODKKHNG-JTQLQIEISA-N 1 0 208.305 2.036 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)c1cccc(OC)c1 ZINC000041613343 171340005 /nfs/dbraw/zinc/34/00/05/171340005.db2.gz HLELUELPTAOFCA-JTQLQIEISA-N 1 0 221.300 2.266 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)c1ccc(OC)c(F)c1 ZINC000049829655 171340543 /nfs/dbraw/zinc/34/05/43/171340543.db2.gz WOEVWOVBWGDCKN-VIFPVBQESA-N 1 0 239.290 2.405 10 0 BEAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1ccc(C)c(N)c1 ZINC000098126181 171340649 /nfs/dbraw/zinc/34/06/49/171340649.db2.gz OHCRDLKEUWADNR-SMDDNHRTSA-N 1 0 236.359 2.389 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](C)N(C)C[C@@H]1CCCOC1 ZINC000104188391 171341342 /nfs/dbraw/zinc/34/13/42/171341342.db2.gz ZICYQNWMHLOBEN-IHRRRGAJSA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@H](C)[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000104361472 171341680 /nfs/dbraw/zinc/34/16/80/171341680.db2.gz ILZUFQDQPIBAAH-JTQLQIEISA-N 1 0 230.315 2.360 10 0 BEAERO CC[C@H](C)[NH2+]Cc1csc(CN(C)C)n1 ZINC000082686661 171343750 /nfs/dbraw/zinc/34/37/50/171343750.db2.gz SDFPRSDASSOXKF-VIFPVBQESA-N 1 0 227.377 2.093 10 0 BEAERO CC[C@H](C)[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944769 171343922 /nfs/dbraw/zinc/34/39/22/171343922.db2.gz UQCUABXSDPSPPK-NSHDSACASA-N 1 0 244.342 2.370 10 0 BEAERO CC[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000020245919 171344413 /nfs/dbraw/zinc/34/44/13/171344413.db2.gz YPMHTNHRAXWCLF-NSHDSACASA-N 1 0 230.315 2.155 10 0 BEAERO CC[C@H](C)[NH2+]Cc1nc(-c2ccccn2)c[nH]1 ZINC000037618020 171344609 /nfs/dbraw/zinc/34/46/09/171344609.db2.gz QLCBNASSTYNFDI-JTQLQIEISA-N 1 0 230.315 2.360 10 0 BEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccccc1C ZINC000038065711 171347402 /nfs/dbraw/zinc/34/74/02/171347402.db2.gz LEPYVMPLGSXTSH-SMDDNHRTSA-N 1 0 234.343 2.084 10 0 BEAERO CC[C@H](C)Oc1ccc2c(c1)NC(=O)[C@@H]2[NH2+]C ZINC000103921327 171356538 /nfs/dbraw/zinc/35/65/38/171356538.db2.gz XBTBKYMTINLKGV-QPUJVOFHSA-N 1 0 234.299 2.077 10 0 BEAERO CC[C@H](C)[C@@H](C[NH3+])N1CCc2sccc2C1 ZINC000037227980 171368761 /nfs/dbraw/zinc/36/87/61/171368761.db2.gz QTPZBRXKVSMOBH-CMPLNLGQSA-N 1 0 238.400 2.480 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccccc1OC ZINC000019519255 171372001 /nfs/dbraw/zinc/37/20/01/171372001.db2.gz SRMHWLICVOYIIQ-JOYOIKCWSA-N 1 0 236.315 2.007 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccccc1N(C)C ZINC000037508899 171372104 /nfs/dbraw/zinc/37/21/04/171372104.db2.gz VOCHYOUOBFIMHK-GXFFZTMASA-N 1 0 249.358 2.065 10 0 BEAERO CC[C@H](C)[C@@](C)([NH2+]Cc1ccccc1)C(N)=O ZINC000037941179 171381523 /nfs/dbraw/zinc/38/15/23/171381523.db2.gz CUJTWMHGMFJWCB-SMDDNHRTSA-N 1 0 234.343 2.066 10 0 BEAERO CC[C@H](C)[C@@](C)([NH2+]C1CCCCC1)C(N)=O ZINC000037969602 171381938 /nfs/dbraw/zinc/38/19/38/171381938.db2.gz PGSUTKXHIVOWLB-GXFFZTMASA-N 1 0 226.364 2.199 10 0 BEAERO CC[C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000107090412 171382176 /nfs/dbraw/zinc/38/21/76/171382176.db2.gz HKBHWTZBSJEWCD-QWRGUYRKSA-N 1 0 242.363 2.241 10 0 BEAERO CC[C@H](C)[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000042558770 171386414 /nfs/dbraw/zinc/38/64/14/171386414.db2.gz OTBVIPGNJGXBON-JYBOHDQNSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000309183862 171390524 /nfs/dbraw/zinc/39/05/24/171390524.db2.gz OFZNSFKUYBTUBU-QNWHQSFQSA-N 1 0 212.381 2.351 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366343688 171394548 /nfs/dbraw/zinc/39/45/48/171394548.db2.gz CEHFQASNCMDTQR-RVMXOQNASA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])CN1CCc2ccccc21 ZINC000011805208 171397083 /nfs/dbraw/zinc/39/70/83/171397083.db2.gz RXBHUFGVNWLNCC-WCQYABFASA-N 1 0 218.344 2.423 10 0 BEAERO CC[C@@H]([NH2+]C)C(=O)NC1CCC(CC)CC1 ZINC000662378223 412132195 /nfs/dbraw/zinc/13/21/95/412132195.db2.gz GIQLWLNMKVFVAN-HTAVTVPLSA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccccc1C(F)(F)F ZINC000036779380 171486971 /nfs/dbraw/zinc/48/69/71/171486971.db2.gz DYQPMBLUZWYVIU-UWVGGRQHSA-N 1 0 233.233 2.476 10 0 BEAERO CC[C@H]([NH2+]C[C@]1(O)CCSC1)C(C)(C)C ZINC000336744408 171529281 /nfs/dbraw/zinc/52/92/81/171529281.db2.gz ZIILJUPPSOTNMW-CMPLNLGQSA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000022120526 171599722 /nfs/dbraw/zinc/59/97/22/171599722.db2.gz SZIJHPIXUWPBRS-CYBMUJFWSA-N 1 0 222.307 2.182 10 0 BEAERO CC[C@H]1CCCN1c1cc(C[NH2+]C)ccn1 ZINC000051398639 171622759 /nfs/dbraw/zinc/62/27/59/171622759.db2.gz TWRNQQLHPABNLT-LBPRGKRZSA-N 1 0 219.332 2.180 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC000309789222 487622580 /nfs/dbraw/zinc/62/25/80/487622580.db2.gz UBHVFRBSQDUADF-QWHCGFSZSA-N 1 0 223.360 2.414 10 0 BEAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1cccnc1 ZINC000068695389 171669339 /nfs/dbraw/zinc/66/93/39/171669339.db2.gz LIOYAFYFFBNKNS-GJZGRUSLSA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(=O)C(C)(C)C ZINC000054026707 171674600 /nfs/dbraw/zinc/67/46/00/171674600.db2.gz LBKSAAKRHYOKPA-NEPJUHHUSA-N 1 0 241.375 2.491 10 0 BEAERO CCc1cc(NCCC[NH3+])ccc1OC ZINC000107284247 171766528 /nfs/dbraw/zinc/76/65/28/171766528.db2.gz HEYFNHRPPIAEBC-UHFFFAOYSA-N 1 0 208.305 2.018 10 0 BEAERO CCc1cc([C@H](C)OCC[NH3+])ccc1OC ZINC000071531129 171774472 /nfs/dbraw/zinc/77/44/72/171774472.db2.gz ZKHDHZACZALJCO-JTQLQIEISA-N 1 0 223.316 2.294 10 0 BEAERO CCc1cc([C@H](O)C[NH2+]C2CC2)ccc1OC ZINC000071545950 171774686 /nfs/dbraw/zinc/77/46/86/171774686.db2.gz UTFBJAXUEDLTKA-CYBMUJFWSA-N 1 0 235.327 2.043 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc(CO)o1)C(C)(C)C ZINC000133005293 412389319 /nfs/dbraw/zinc/38/93/19/412389319.db2.gz LQLSJXDESUOZDN-SECBINFHSA-N 1 0 211.305 2.296 10 0 BEAERO CCc1ccc(CN(C(=O)CC[NH3+])C(C)C)cc1 ZINC000032103978 171793745 /nfs/dbraw/zinc/79/37/45/171793745.db2.gz BMYZLCXIFWPWHA-UHFFFAOYSA-N 1 0 248.370 2.335 10 0 BEAERO CCCc1nccnc1N[C@@H](C)CCCC[NH3+] ZINC000663274307 412404400 /nfs/dbraw/zinc/40/44/00/412404400.db2.gz MPEVOHXLZXPYKW-NSHDSACASA-N 1 0 236.363 2.359 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1nc2ccccc2[nH]1 ZINC000663275921 412405063 /nfs/dbraw/zinc/40/50/63/412405063.db2.gz GXPDVPCBZHZFMC-SNVBAGLBSA-N 1 0 232.331 2.348 10 0 BEAERO CCc1nc(C)cc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663276276 412406128 /nfs/dbraw/zinc/40/61/28/412406128.db2.gz OZCAWXSTOSWRIA-LLVKDONJSA-N 1 0 236.363 2.133 10 0 BEAERO CCc1cc(NCC[C@@H]([NH3+])C(C)C)nc(C)n1 ZINC000663276457 412406488 /nfs/dbraw/zinc/40/64/88/412406488.db2.gz YOHFKIZURRFEJC-GFCCVEGCSA-N 1 0 236.363 2.133 10 0 BEAERO CCc1ccc([C@H](C)N2CC[NH2+]CC2)cc1 ZINC000020264235 171837931 /nfs/dbraw/zinc/83/79/31/171837931.db2.gz MEWKVJNDGKVTKN-LBPRGKRZSA-N 1 0 218.344 2.215 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000225810260 487623601 /nfs/dbraw/zinc/62/36/01/487623601.db2.gz YMBLLNQAQCQWJK-FRRDWIJNSA-N 1 0 240.391 2.302 10 0 BEAERO CCc1ccc([C@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000032013453 171844518 /nfs/dbraw/zinc/84/45/18/171844518.db2.gz ZUWWEGRAUJWGCK-KGLIPLIRSA-N 1 0 219.328 2.282 10 0 BEAERO CCc1nc2cc(CC[NH3+])ccc2s1 ZINC000071510155 172010218 /nfs/dbraw/zinc/01/02/18/172010218.db2.gz RKTOLBXNBWNULE-UHFFFAOYSA-N 1 0 206.314 2.360 10 0 BEAERO CCc1ncc(C[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000037924637 172019055 /nfs/dbraw/zinc/01/90/55/172019055.db2.gz QTYMNYQWEUSXKS-NXEZZACHSA-N 1 0 240.372 2.099 10 0 BEAERO CCc1nnc([C@H](C)[NH2+]C2(C(C)C)CC2)o1 ZINC000339519096 172066560 /nfs/dbraw/zinc/06/65/60/172066560.db2.gz PHMRNZMRFMPAIK-VIFPVBQESA-N 1 0 223.320 2.471 10 0 BEAERO CCn1c2ccc(C)cc2nc1[C@@H](C)C[NH3+] ZINC000054334273 172147550 /nfs/dbraw/zinc/14/75/50/172147550.db2.gz RYQXNHWXULQDNE-JTQLQIEISA-N 1 0 217.316 2.427 10 0 BEAERO CCn1cc(-c2cccc(C[NH2+]C)c2)cn1 ZINC000043462521 172149032 /nfs/dbraw/zinc/14/90/32/172149032.db2.gz ZMAHALLMFSROAJ-UHFFFAOYSA-N 1 0 215.300 2.289 10 0 BEAERO CCn1cc(CC[NH3+])c2c1cccc2C ZINC000068576855 172158916 /nfs/dbraw/zinc/15/89/16/172158916.db2.gz JSJNKPJJGHMJMM-UHFFFAOYSA-N 1 0 202.301 2.471 10 0 BEAERO CCn1cc(C[C@@H]([NH2+]C)c2cccc(C)n2)cn1 ZINC000104167277 172176637 /nfs/dbraw/zinc/17/66/37/172176637.db2.gz FHQOCXOFQVGGFH-CQSZACIVSA-N 1 0 244.342 2.110 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2ccc(C)cc2)cn1 ZINC000043469100 172194168 /nfs/dbraw/zinc/19/41/68/172194168.db2.gz NOQAYLXCGLZEIR-ZDUSSCGKSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1cc([C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000060714798 172196607 /nfs/dbraw/zinc/19/66/07/172196607.db2.gz SIVOVWGDCNBMIC-RYUDHWBXSA-N 1 0 207.321 2.278 10 0 BEAERO CCn1cc([C@H]([NH3+])c2ccc(F)cc2)cn1 ZINC000043468923 172198966 /nfs/dbraw/zinc/19/89/66/172198966.db2.gz MPTBKTWDSNOJTL-GFCCVEGCSA-N 1 0 219.263 2.090 10 0 BEAERO CCn1cccc1C[NH2+]CCc1ccccn1 ZINC000091022458 172207091 /nfs/dbraw/zinc/20/70/91/172207091.db2.gz WQMJEMZMXMMPRE-UHFFFAOYSA-N 1 0 229.327 2.235 10 0 BEAERO CCn1cccc1C[NH2+]CC(C)(C)CCCO ZINC000227922295 172207347 /nfs/dbraw/zinc/20/73/47/172207347.db2.gz SOAJCDOXICVCAD-UHFFFAOYSA-N 1 0 238.375 2.396 10 0 BEAERO CCn1cccc1C[NH2+]CC(C)(C)CCO ZINC000227911948 172207885 /nfs/dbraw/zinc/20/78/85/172207885.db2.gz SCLLTXGYMZDTQO-UHFFFAOYSA-N 1 0 224.348 2.006 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)C1CCOCC1 ZINC000234192040 172208974 /nfs/dbraw/zinc/20/89/74/172208974.db2.gz IIFZAMQVGGDKEK-LBPRGKRZSA-N 1 0 236.359 2.413 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000091127754 172209852 /nfs/dbraw/zinc/20/98/52/172209852.db2.gz SBOZQUGKTZBHKY-HNNXBMFYSA-N 1 0 244.338 2.331 10 0 BEAERO CCn1cccc1C[NH2+][C@H](CCO)C(C)C ZINC000231072907 172210005 /nfs/dbraw/zinc/21/00/05/172210005.db2.gz IABRBDZJPJHRDE-CYBMUJFWSA-N 1 0 224.348 2.005 10 0 BEAERO CCn1cc[nH+]c1N[C@H](C)c1cccnc1 ZINC000050608453 172227885 /nfs/dbraw/zinc/22/78/85/172227885.db2.gz PYXSXEOKZJYIMQ-SNVBAGLBSA-N 1 0 216.288 2.471 10 0 BEAERO CCn1ccnc1Oc1ccccc1C[NH3+] ZINC000050614533 172227977 /nfs/dbraw/zinc/22/79/77/172227977.db2.gz RVSNHTAAFTVBKO-UHFFFAOYSA-N 1 0 217.272 2.154 10 0 BEAERO CCn1ccnc1[C@H]([NH2+]C)c1ccccc1 ZINC000041112565 172229113 /nfs/dbraw/zinc/22/91/13/172229113.db2.gz HYGKHWHJRHOTLK-GFCCVEGCSA-N 1 0 215.300 2.212 10 0 BEAERO CCn1ccnc1[C@H]([NH3+])c1cccc(C)c1 ZINC000011735122 172229665 /nfs/dbraw/zinc/22/96/65/172229665.db2.gz JZPVQEWNDSFHRT-GFCCVEGCSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1nccc1C[NH2+]CCCCSC ZINC000119275315 172270026 /nfs/dbraw/zinc/27/00/26/172270026.db2.gz BRRVAJVNJPMXHW-UHFFFAOYSA-N 1 0 227.377 2.136 10 0 BEAERO CN(C(=[NH2+])NC1CC1)C1CCCCCC1 ZINC000052038244 172291644 /nfs/dbraw/zinc/29/16/44/172291644.db2.gz XXGHACWNRLXMEW-UHFFFAOYSA-N 1 0 209.337 2.328 10 0 BEAERO C[NH+](C)CCCNCc1c(F)cc(F)cc1F ZINC000083375070 172442146 /nfs/dbraw/zinc/44/21/46/172442146.db2.gz PPMLNHZWRSBFRR-UHFFFAOYSA-N 1 0 246.276 2.145 10 0 BEAERO C[NH+](C)C[C@@H](O)c1c(F)cccc1Cl ZINC000019784793 172484079 /nfs/dbraw/zinc/48/40/79/172484079.db2.gz FRPLFABZLMAWQN-SECBINFHSA-N 1 0 217.671 2.074 10 0 BEAERO CN(CC1CCC1)c1ccccc1C[NH3+] ZINC000061453018 172657075 /nfs/dbraw/zinc/65/70/75/172657075.db2.gz JIUSXPYDYNLOFR-UHFFFAOYSA-N 1 0 204.317 2.382 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647543 487625224 /nfs/dbraw/zinc/62/52/24/487625224.db2.gz BESZZHOUVWBEIK-YNEHKIRRSA-N 1 0 240.391 2.460 10 0 BEAERO CN(C[C@@H]1CC[NH2+]C1)c1nsc2ccccc21 ZINC000095071270 172816207 /nfs/dbraw/zinc/81/62/07/172816207.db2.gz UMXCXUBMZHTQSZ-SNVBAGLBSA-N 1 0 247.367 2.342 10 0 BEAERO CN(Cc1ccncc1)c1ccc(CC[NH3+])cc1 ZINC000019729575 172900381 /nfs/dbraw/zinc/90/03/81/172900381.db2.gz LZXNGAPFQMDZTA-UHFFFAOYSA-N 1 0 241.338 2.219 10 0 BEAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccco1 ZINC000022210275 172950337 /nfs/dbraw/zinc/95/03/37/172950337.db2.gz NKHKGQPQHPCIBZ-GFCCVEGCSA-N 1 0 216.284 2.416 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1c1ccccc1CO ZINC000075907085 173006904 /nfs/dbraw/zinc/00/69/04/173006904.db2.gz NKXRYYHQOGGAED-CYBMUJFWSA-N 1 0 205.301 2.336 10 0 BEAERO C[N@@H+]1CCCC[C@H]1c1ccccc1CO ZINC000075907087 173010227 /nfs/dbraw/zinc/01/02/27/173010227.db2.gz NKXRYYHQOGGAED-ZDUSSCGKSA-N 1 0 205.301 2.336 10 0 BEAERO CN(C)c1ccc(N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000076680485 173021500 /nfs/dbraw/zinc/02/15/00/173021500.db2.gz SDYUNAGOAVBPLA-CYBMUJFWSA-N 1 0 233.359 2.259 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2ccc(Cl)cc2N)C1 ZINC000040715828 173045833 /nfs/dbraw/zinc/04/58/33/173045833.db2.gz HYQHLKOXJPPMLD-JTQLQIEISA-N 1 0 239.750 2.428 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000076641899 173046815 /nfs/dbraw/zinc/04/68/15/173046815.db2.gz VDPBYOPAUHUDQB-LBPRGKRZSA-N 1 0 208.280 2.332 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2cnnc3ccccc32)C1 ZINC000104119446 173047021 /nfs/dbraw/zinc/04/70/21/173047021.db2.gz RVHNYBXFUKSZOU-NSHDSACASA-N 1 0 242.326 2.136 10 0 BEAERO C[N@@H+]1CCC[C@]12CCc1cc(O)ccc1C2 ZINC000169315964 173061645 /nfs/dbraw/zinc/06/16/45/173061645.db2.gz OZZKUGCQAMXRSE-CQSZACIVSA-N 1 0 217.312 2.345 10 0 BEAERO C[N@@H+]1CCC[C@](C)(c2cccc(O)c2)C1 ZINC000027564291 173062331 /nfs/dbraw/zinc/06/23/31/173062331.db2.gz IBRMGIQKMQEATN-ZDUSSCGKSA-N 1 0 205.301 2.376 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccc(Cl)cc2N)C1 ZINC000042545181 173125212 /nfs/dbraw/zinc/12/52/12/173125212.db2.gz QOKYWDLDLLHNEH-SECBINFHSA-N 1 0 225.723 2.038 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2cc(F)cc(F)c2F)C1 ZINC000061989925 173125853 /nfs/dbraw/zinc/12/58/53/173125853.db2.gz YDGJPGXFEHJXDH-MRVPVSSYSA-N 1 0 230.233 2.220 10 0 BEAERO C[N@@H+]1CC[C@H](CNCc2ccc(Cl)s2)C1 ZINC000037484772 173146589 /nfs/dbraw/zinc/14/65/89/173146589.db2.gz PQPSGOKKSTUZJN-SECBINFHSA-N 1 0 244.791 2.443 10 0 BEAERO CN1CCc2cc(-c3ncc(C[NH3+])s3)ccc21 ZINC000050286211 173170038 /nfs/dbraw/zinc/17/00/38/173170038.db2.gz HCNCJGHCMWZUPO-UHFFFAOYSA-N 1 0 245.351 2.261 10 0 BEAERO C[N@@H+]1CCc2cc(O)c(Cl)cc2CC1 ZINC000027317402 173171583 /nfs/dbraw/zinc/17/15/83/173171583.db2.gz KUIFDRGVGCKHAW-UHFFFAOYSA-N 1 0 211.692 2.076 10 0 BEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccccc1)C2 ZINC000013586309 173206168 /nfs/dbraw/zinc/20/61/68/173206168.db2.gz WXYVEMXFBWGVFO-AGUYFDCRSA-N 1 0 244.338 2.042 10 0 BEAERO CNC(=O)CC[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000076634646 173263671 /nfs/dbraw/zinc/26/36/71/173263671.db2.gz FYQMPYXAYWZKLY-AWEZNQCLSA-N 1 0 248.370 2.379 10 0 BEAERO CNC(=O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037254063 173278684 /nfs/dbraw/zinc/27/86/84/173278684.db2.gz NNPAQTJWSOWQHV-KBPBESRZSA-N 1 0 246.354 2.048 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000042560199 173295291 /nfs/dbraw/zinc/29/52/91/173295291.db2.gz CDGLHAFKJFIALR-BXUZGUMPSA-N 1 0 246.354 2.178 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000042560578 173295854 /nfs/dbraw/zinc/29/58/54/173295854.db2.gz FPPDGPPGRCFVSU-CHWSQXEVSA-N 1 0 248.370 2.397 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)CC1CCCCC1 ZINC000061317504 173317852 /nfs/dbraw/zinc/31/78/52/173317852.db2.gz RXSUWJWKPCSAMZ-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C)cc(C)c1 ZINC000061300215 173318347 /nfs/dbraw/zinc/31/83/47/173318347.db2.gz UXFZGKGMENISDT-UHFFFAOYSA-N 1 0 220.316 2.240 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1nc(C(C)C)cs1 ZINC000061318877 173319098 /nfs/dbraw/zinc/31/90/98/173319098.db2.gz YAXWPJYHAJBECE-UHFFFAOYSA-N 1 0 241.360 2.203 10 0 BEAERO C[NH2+]C(C)(C)CN(C)c1cccc(C)c1 ZINC000061319811 173319645 /nfs/dbraw/zinc/31/96/45/173319645.db2.gz KVSYBJWVBVCDMH-UHFFFAOYSA-N 1 0 206.333 2.429 10 0 BEAERO C[NH2+]C(C)(C)CN(C)c1cccc(F)c1 ZINC000061319814 173319683 /nfs/dbraw/zinc/31/96/83/173319683.db2.gz HBRUTIWQSYGLJC-UHFFFAOYSA-N 1 0 210.296 2.260 10 0 BEAERO C[NH2+]C(C)(C)c1nc(-c2cccs2)no1 ZINC000061151303 173320822 /nfs/dbraw/zinc/32/08/22/173320822.db2.gz ZAHXNNOYIKETBL-UHFFFAOYSA-N 1 0 223.301 2.253 10 0 BEAERO C[NH2+]C(C)(C)c1nc2c(cccc2C)[nH]1 ZINC000061149867 173321063 /nfs/dbraw/zinc/32/10/63/173321063.db2.gz PPLYZGLHGXLIOX-UHFFFAOYSA-N 1 0 203.289 2.326 10 0 BEAERO C[NH2+]C1CCN(Cc2ccc(F)cc2C)CC1 ZINC000135838536 173323025 /nfs/dbraw/zinc/32/30/25/173323025.db2.gz DAMZPMKUJHNPDX-UHFFFAOYSA-N 1 0 236.334 2.318 10 0 BEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1ccccn1 ZINC000054628128 173324107 /nfs/dbraw/zinc/32/41/07/173324107.db2.gz CXTIOVDEIAMLAK-RLAWYHOSSA-N 1 0 245.370 2.357 10 0 BEAERO C[NH2+]C1CCN([C@@H](C)c2cccs2)CC1 ZINC000037483667 173324364 /nfs/dbraw/zinc/32/43/64/173324364.db2.gz SBBFJPAASOMJNV-JTQLQIEISA-N 1 0 224.373 2.493 10 0 BEAERO C[NH2+]CC(C)(C)CN1CCc2sccc2C1 ZINC000051210753 173336026 /nfs/dbraw/zinc/33/60/26/173336026.db2.gz VRKCEDXAUDCCND-UHFFFAOYSA-N 1 0 238.400 2.352 10 0 BEAERO C[NH2+]CCC(=O)c1cc(C)c(C)cc1C ZINC000071509774 173341980 /nfs/dbraw/zinc/34/19/80/173341980.db2.gz SRROQTOACJFKNF-UHFFFAOYSA-N 1 0 205.301 2.404 10 0 BEAERO C[NH2+]CCC(=O)OCc1ccc(Cl)s1 ZINC000077367784 173342264 /nfs/dbraw/zinc/34/22/64/173342264.db2.gz DSECCQLWYDHPSG-UHFFFAOYSA-N 1 0 233.720 2.054 10 0 BEAERO C[NH2+]CCCN(C(=O)OC(C)(C)C)C(C)C ZINC000095930067 173346363 /nfs/dbraw/zinc/34/63/63/173346363.db2.gz USYPFCPBJBXMJK-UHFFFAOYSA-N 1 0 230.352 2.241 10 0 BEAERO C[NH2+]CCCN(C)c1ccccc1Cl ZINC000077305297 173347576 /nfs/dbraw/zinc/34/75/76/173347576.db2.gz CCUDYNFXTIBDSQ-UHFFFAOYSA-N 1 0 212.724 2.386 10 0 BEAERO C[NH2+]CCCOCc1ccc2nc(C)oc2c1 ZINC000077369318 173349682 /nfs/dbraw/zinc/34/96/82/173349682.db2.gz VTRZYLTVJHDXFX-UHFFFAOYSA-N 1 0 234.299 2.262 10 0 BEAERO C[NH2+]CCCOc1cccc2cccnc21 ZINC000019669859 173349978 /nfs/dbraw/zinc/34/99/78/173349978.db2.gz QJXHXCROYRETBK-UHFFFAOYSA-N 1 0 216.284 2.223 10 0 BEAERO C[NH2+]CCCOCc1ccc(F)c(C)c1 ZINC000077304665 173350084 /nfs/dbraw/zinc/35/00/84/173350084.db2.gz NZISIQVXQWOQKE-UHFFFAOYSA-N 1 0 211.280 2.260 10 0 BEAERO C[NH2+]CCCc1nnc(-c2ccc(C)c(F)c2)o1 ZINC000050616637 173351171 /nfs/dbraw/zinc/35/11/71/173351171.db2.gz SWRPZEYJNIJHRU-UHFFFAOYSA-N 1 0 249.289 2.336 10 0 BEAERO C[NH2+]CCOCCc1cccc(Cl)c1 ZINC000077306144 173356623 /nfs/dbraw/zinc/35/66/23/173356623.db2.gz LPOIRMZDEPYTFW-UHFFFAOYSA-N 1 0 213.708 2.119 10 0 BEAERO C[NH2+]CCOCc1c(C)cc(C)cc1OC ZINC000077336079 173356782 /nfs/dbraw/zinc/35/67/82/173356782.db2.gz AMTVYLLJXMOHLA-UHFFFAOYSA-N 1 0 223.316 2.048 10 0 BEAERO C[NH2+]CCOCc1cc(Cl)c(C)cc1OC ZINC000077395010 173356819 /nfs/dbraw/zinc/35/68/19/173356819.db2.gz IJYYMIFJCIFEIS-UHFFFAOYSA-N 1 0 243.734 2.393 10 0 BEAERO C[NH2+]CCNc1ccc(F)c(Cl)c1 ZINC000058848518 173356956 /nfs/dbraw/zinc/35/69/56/173356956.db2.gz VXKLLHDPZKTLKS-UHFFFAOYSA-N 1 0 202.660 2.110 10 0 BEAERO C[NH2+]CCOc1ccc(Br)cc1F ZINC000020525470 173357304 /nfs/dbraw/zinc/35/73/04/173357304.db2.gz KUHJZCIPYOLXHU-UHFFFAOYSA-N 1 0 248.095 2.186 10 0 BEAERO C[NH2+]CC[C@@H](C)N1Cc2ccccc2C1 ZINC000052374354 173357386 /nfs/dbraw/zinc/35/73/86/173357386.db2.gz GJIMCNREZCYMFF-LLVKDONJSA-N 1 0 204.317 2.000 10 0 BEAERO C[NH2+]CCOc1ccc(F)cc1Cl ZINC000014628576 173357678 /nfs/dbraw/zinc/35/76/78/173357678.db2.gz JGUAMSDZZPADOJ-UHFFFAOYSA-N 1 0 203.644 2.077 10 0 BEAERO C[NH2+]CC[C@H](C)c1ccc2c(c1)OCCO2 ZINC000011630073 173358128 /nfs/dbraw/zinc/35/81/28/173358128.db2.gz AWCKQZYGJUINTG-JTQLQIEISA-N 1 0 221.300 2.171 10 0 BEAERO C[NH2+]CC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000071531205 173358209 /nfs/dbraw/zinc/35/82/09/173358209.db2.gz PPYLGHUFJXZANK-CYBMUJFWSA-N 1 0 223.316 2.117 10 0 BEAERO C[NH2+]CC[C@H](C)c1ccc(OC)cc1OC ZINC000041242871 173358474 /nfs/dbraw/zinc/35/84/74/173358474.db2.gz VMPVNMXRBHPRRJ-JTQLQIEISA-N 1 0 223.316 2.417 10 0 BEAERO C[NH2+]CC[C@@H](O)c1ccc(OC(C)C)c(F)c1 ZINC000071550659 173358530 /nfs/dbraw/zinc/35/85/30/173358530.db2.gz YVTBNTIDBLNEKN-GFCCVEGCSA-N 1 0 241.306 2.256 10 0 BEAERO C[NH2+]CC[C@@H](O)c1ccc(OC(C)C)c(C)c1 ZINC000071548318 173358616 /nfs/dbraw/zinc/35/86/16/173358616.db2.gz YEZTTYYQSQPBAT-CYBMUJFWSA-N 1 0 237.343 2.425 10 0 BEAERO C[NH2+]CCn1c(C)cc(Br)c1C ZINC000082656671 173361815 /nfs/dbraw/zinc/36/18/15/173361815.db2.gz ZQFDOLRLSRKGBL-UHFFFAOYSA-N 1 0 231.137 2.087 10 0 BEAERO C[NH2+]CCc1nc2ccccc2n1C(C)C ZINC000019750581 173361392 /nfs/dbraw/zinc/36/13/92/173361392.db2.gz SFSVIDCXNHCVQZ-UHFFFAOYSA-N 1 0 217.316 2.379 10 0 BEAERO C[NH2+]CCc1noc(-c2ccc(Cl)s2)n1 ZINC000051850564 173361714 /nfs/dbraw/zinc/36/17/14/173361714.db2.gz MXSFELQCYJFVOT-UHFFFAOYSA-N 1 0 243.719 2.213 10 0 BEAERO C[NH2+]CCc1noc(Cc2cc(C)ccc2C)n1 ZINC000053145806 173361977 /nfs/dbraw/zinc/36/19/77/173361977.db2.gz NJGXLQKIPMITJE-UHFFFAOYSA-N 1 0 245.326 2.039 10 0 BEAERO C[NH2+]C[C@@H](C(C)C)n1ncc2ccccc21 ZINC000052574290 173362771 /nfs/dbraw/zinc/36/27/71/173362771.db2.gz XTJXQBQWIRWRBH-ZDUSSCGKSA-N 1 0 217.316 2.453 10 0 BEAERO C[NH2+]C[C@@H](C)n1ccnc1-c1cccs1 ZINC000053542596 173364988 /nfs/dbraw/zinc/36/49/88/173364988.db2.gz ZNZLTTUERMDBPN-SECBINFHSA-N 1 0 221.329 2.392 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)N1CC[C@@H](C)C1 ZINC000052484707 173366648 /nfs/dbraw/zinc/36/66/48/173366648.db2.gz GHNFLXCTCOMSBC-OCCSQVGLSA-N 1 0 218.344 2.289 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)N(C)C[C@@H]1CCCO1 ZINC000052541107 173366658 /nfs/dbraw/zinc/36/66/58/173366658.db2.gz LPZDKXSVEKKONF-GJZGRUSLSA-N 1 0 248.370 2.058 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000044412625 173367080 /nfs/dbraw/zinc/36/70/80/173367080.db2.gz YIWWSBUPGARXGJ-AWEZNQCLSA-N 1 0 236.334 2.400 10 0 BEAERO C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)C(C)(C)C)C1 ZINC000111653150 173370007 /nfs/dbraw/zinc/37/00/07/173370007.db2.gz GGQGVUOQGXEJKM-NEPJUHHUSA-N 1 0 240.391 2.127 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cc(C)ccc2F)C1 ZINC000053013138 173370397 /nfs/dbraw/zinc/37/03/97/173370397.db2.gz HQIVRWVONJNLMQ-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cc(F)cc(F)c2)C1 ZINC000053012801 173370429 /nfs/dbraw/zinc/37/04/29/173370429.db2.gz PPJAXLXNTVLPEN-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cc(C)ccc2C)C1 ZINC000011892149 173370664 /nfs/dbraw/zinc/37/06/64/173370664.db2.gz MHOZEJPRRZQHNV-ZDUSSCGKSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc3ncccc3c2)C1 ZINC000054108279 173370978 /nfs/dbraw/zinc/37/09/78/173370978.db2.gz ACOOKLYIHNCZLP-LBPRGKRZSA-N 1 0 241.338 2.281 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(OC)c(F)c1 ZINC000054589344 173371709 /nfs/dbraw/zinc/37/17/09/173371709.db2.gz XCBDHSMGNXCHSK-GWCFXTLKSA-N 1 0 223.291 2.331 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(F)cc1F ZINC000054589558 173371762 /nfs/dbraw/zinc/37/17/62/173371762.db2.gz PTBSWGZAKVDUHP-QPUJVOFHSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccc(CC(C)C)cc1 ZINC000036160692 173372396 /nfs/dbraw/zinc/37/23/96/173372396.db2.gz WKJJZRAVVSEABX-CQSZACIVSA-N 1 0 221.344 2.312 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccc(C(C)C)cc1 ZINC000011803572 173372767 /nfs/dbraw/zinc/37/27/67/173372767.db2.gz DHQOBMCRYBSCSW-CYBMUJFWSA-N 1 0 207.317 2.237 10 0 BEAERO C[NH2+]C[C@@]1(Cc2ccccc2)CCCOC1 ZINC000062193432 173373398 /nfs/dbraw/zinc/37/33/98/173373398.db2.gz VSUFUZCWLHOUEH-AWEZNQCLSA-N 1 0 219.328 2.245 10 0 BEAERO C[NH2+]C[C@H](C)CCOc1cccc(F)c1 ZINC000041225670 173375580 /nfs/dbraw/zinc/37/55/80/173375580.db2.gz XLYHXRXLRYZPNU-SNVBAGLBSA-N 1 0 211.280 2.450 10 0 BEAERO C[NH2+]C[C@H](C)COc1cccc2cccnc21 ZINC000041256444 173375880 /nfs/dbraw/zinc/37/58/80/173375880.db2.gz CFYXHAIFLCJCTR-NSHDSACASA-N 1 0 230.311 2.469 10 0 BEAERO C[NH2+]C[C@H](O)CSc1ccccc1Cl ZINC000019865177 173377032 /nfs/dbraw/zinc/37/70/32/173377032.db2.gz GHUDYCQXJXPOHO-QMMMGPOBSA-N 1 0 231.748 2.012 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1C(=O)Oc1ccccc1 ZINC000063167948 173378190 /nfs/dbraw/zinc/37/81/90/173378190.db2.gz OEEMGWGBXYPFFF-GFCCVEGCSA-N 1 0 248.326 2.259 10 0 BEAERO C[NH2+]C[C@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000040591971 173379272 /nfs/dbraw/zinc/37/92/72/173379272.db2.gz ASVMSXSDLKDALN-GFCCVEGCSA-N 1 0 222.332 2.019 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(C)cc2)C1 ZINC000011892137 173381359 /nfs/dbraw/zinc/38/13/59/173381359.db2.gz JUARIVKPGCUSJM-GFCCVEGCSA-N 1 0 204.317 2.041 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cc(C)cc(C)c2)C1 ZINC000011892164 173381426 /nfs/dbraw/zinc/38/14/26/173381426.db2.gz QETQWRXMGHPAIO-CYBMUJFWSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2F)C1 ZINC000011892449 173381532 /nfs/dbraw/zinc/38/15/32/173381532.db2.gz COFAIKLMBPOGAY-MRVPVSSYSA-N 1 0 244.260 2.150 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccc(OCC(C)C)cc1 ZINC000033466219 173383220 /nfs/dbraw/zinc/38/32/20/173383220.db2.gz DZEDNTQYULVWMY-AWEZNQCLSA-N 1 0 237.343 2.148 10 0 BEAERO C[NH2+]C[C@]1(OC2CCOCC2)CCC[C@@H](C)C1 ZINC000050503981 173383682 /nfs/dbraw/zinc/38/36/82/173383682.db2.gz PSYAHNRMTXETPO-OCCSQVGLSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]C[C@]1(OC[C@@H]2CCCO2)CCC[C@H](C)C1 ZINC000050504455 173383998 /nfs/dbraw/zinc/38/39/98/173383998.db2.gz COPBYACNDWGKCP-IHRRRGAJSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]Cc1c2ccccc2oc1COC ZINC000052602408 173384680 /nfs/dbraw/zinc/38/46/80/173384680.db2.gz IWVFGEJDRNFGEE-UHFFFAOYSA-N 1 0 205.257 2.299 10 0 BEAERO C[NH2+]Cc1c(C)nn(Cc2cccs2)c1C ZINC000036868412 173385050 /nfs/dbraw/zinc/38/50/50/173385050.db2.gz ZKOZIJGCXPWIOC-UHFFFAOYSA-N 1 0 235.356 2.329 10 0 BEAERO C[NH2+]Cc1cc(-c2ccccc2Cl)n[nH]1 ZINC000050478930 173386091 /nfs/dbraw/zinc/38/60/91/173386091.db2.gz CKFUEOZKIGXRNB-UHFFFAOYSA-N 1 0 221.691 2.450 10 0 BEAERO C[NH2+]Cc1cc(Br)oc1C ZINC000083284619 173386200 /nfs/dbraw/zinc/38/62/00/173386200.db2.gz DRDUUXMDLBJIRD-UHFFFAOYSA-N 1 0 204.067 2.070 10 0 BEAERO C[NH2+]Cc1cccnc1N(C)CC1CCCC1 ZINC000104361432 173390182 /nfs/dbraw/zinc/39/01/82/173390182.db2.gz LUVPICXUGWEBMW-UHFFFAOYSA-N 1 0 233.359 2.427 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)CCSC ZINC000036280608 173390379 /nfs/dbraw/zinc/39/03/79/173390379.db2.gz AFLJHVMDSZLOCL-UHFFFAOYSA-N 1 0 238.356 2.098 10 0 BEAERO C[NH2+]Cc1ccnc(C2CCCCC2)n1 ZINC000054791177 173391165 /nfs/dbraw/zinc/39/11/65/173391165.db2.gz OXCCZXQRHNWUIM-UHFFFAOYSA-N 1 0 205.305 2.244 10 0 BEAERO C[NH2+]Cc1ccnc(N2CCC[C@@H](C)CC2)c1 ZINC000104352158 173391747 /nfs/dbraw/zinc/39/17/47/173391747.db2.gz HSIJRQTVWDLKRM-GFCCVEGCSA-N 1 0 233.359 2.427 10 0 BEAERO C[NH2+]Cc1cnc([C@H]2CCC[C@@H](C)C2)nc1 ZINC000054855481 173392163 /nfs/dbraw/zinc/39/21/63/173392163.db2.gz DVQHRLRSCWARSX-PWSUYJOCSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1cnc(-c2cc(F)ccc2C)nc1 ZINC000054855593 173392195 /nfs/dbraw/zinc/39/21/95/173392195.db2.gz QWEXVEXJYUAUET-UHFFFAOYSA-N 1 0 231.274 2.311 10 0 BEAERO C[NH2+]Cc1cnc(N(C)C2CCCC2)s1 ZINC000054902543 173392699 /nfs/dbraw/zinc/39/26/99/173392699.db2.gz PPYGPQWMTFVCFJ-UHFFFAOYSA-N 1 0 225.361 2.241 10 0 BEAERO C[NH2+]Cc1csc(-c2ccc(C)o2)n1 ZINC000041009962 173393401 /nfs/dbraw/zinc/39/34/01/173393401.db2.gz VTRQRUDSVRNUGV-UHFFFAOYSA-N 1 0 208.286 2.431 10 0 BEAERO C[NH2+]Cc1csc(Cc2csc(C)n2)n1 ZINC000055296493 173393424 /nfs/dbraw/zinc/39/34/24/173393424.db2.gz OCGHEXCPRWETNY-UHFFFAOYSA-N 1 0 239.369 2.218 10 0 BEAERO C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000054438116 173393799 /nfs/dbraw/zinc/39/37/99/173393799.db2.gz MZWJGJDITRKHRF-UHFFFAOYSA-N 1 0 234.324 2.442 10 0 BEAERO C[NH2+]Cc1csc(N2CCC[C@@H](C)C2)n1 ZINC000062214909 173394041 /nfs/dbraw/zinc/39/40/41/173394041.db2.gz SZEJTIVFCMVEAR-SECBINFHSA-N 1 0 225.361 2.099 10 0 BEAERO C[NH2+]Cc1nc(N2CCC[C@@H]2C)ccc1Cl ZINC000051398779 173395053 /nfs/dbraw/zinc/39/50/53/173395053.db2.gz LSQCXAONZIGFQB-VIFPVBQESA-N 1 0 239.750 2.443 10 0 BEAERO C[NH2+]Cc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000052381042 173395651 /nfs/dbraw/zinc/39/56/51/173395651.db2.gz LLYCQUSUYMOPCY-JTQLQIEISA-N 1 0 239.388 2.094 10 0 BEAERO C[NH2+]Cc1nc(-c2ccccc2C)c[nH]1 ZINC000036877235 173397147 /nfs/dbraw/zinc/39/71/47/173397147.db2.gz BTUKTIXGHRINGD-UHFFFAOYSA-N 1 0 201.273 2.105 10 0 BEAERO C[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000050615485 173397389 /nfs/dbraw/zinc/39/73/89/173397389.db2.gz WTIWSDWKAZMBDL-UHFFFAOYSA-N 1 0 223.663 2.109 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccc(OC)c(F)c2)o1 ZINC000077371996 173397484 /nfs/dbraw/zinc/39/74/84/173397484.db2.gz UHOKVGUUUAIEIH-UHFFFAOYSA-N 1 0 236.246 2.209 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccc(OC)c(OC)c2)o1 ZINC000077420111 173397827 /nfs/dbraw/zinc/39/78/27/173397827.db2.gz SOWWOAAZBYWOGS-UHFFFAOYSA-N 1 0 248.282 2.078 10 0 BEAERO C[NH2+]Cc1oc(Cn2cnc(C)c2C)cc1C ZINC000052593850 173399394 /nfs/dbraw/zinc/39/93/94/173399394.db2.gz SFYHTUGWFRXXDT-UHFFFAOYSA-N 1 0 233.315 2.169 10 0 BEAERO C[NH2+][C@@H](C)[C@@H](O)c1ccc(Cl)c(C)c1 ZINC000071692643 173416802 /nfs/dbraw/zinc/41/68/02/173416802.db2.gz GEHABXCOEGADOJ-GZMMTYOYSA-N 1 0 213.708 2.290 10 0 BEAERO C[NH2+][C@@H](C)[C@H](O)c1ccc(OCC(C)C)cc1 ZINC000071548180 173417921 /nfs/dbraw/zinc/41/79/21/173417921.db2.gz WYTKRTVWUWOOEU-FZMZJTMJSA-N 1 0 237.343 2.363 10 0 BEAERO C[NH2+][C@@H](C)c1ccccc1-n1ccc(C)n1 ZINC000052884435 173419480 /nfs/dbraw/zinc/41/94/80/173419480.db2.gz QSWKSESGADRGKO-NSHDSACASA-N 1 0 215.300 2.461 10 0 BEAERO C[NH2+][C@@H](CCO)c1ccc(SC)cc1 ZINC000082918084 173423445 /nfs/dbraw/zinc/42/34/45/173423445.db2.gz GNLJFVKRADWIEI-NSHDSACASA-N 1 0 211.330 2.051 10 0 BEAERO C[NH2+][C@@H](Cc1ccccc1F)c1cnn(C)c1 ZINC000035500325 173426102 /nfs/dbraw/zinc/42/61/02/173426102.db2.gz ASWWOWBLHSKWBQ-ZDUSSCGKSA-N 1 0 233.290 2.062 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc2sccc2c1 ZINC000054073410 173444996 /nfs/dbraw/zinc/44/49/96/173444996.db2.gz JXFVVUNZISCWJT-MRVPVSSYSA-N 1 0 234.324 2.448 10 0 BEAERO C[NH2+][C@H](C)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000035635335 173449344 /nfs/dbraw/zinc/44/93/44/173449344.db2.gz UWBDJTKNCYNJIY-MFKMUULPSA-N 1 0 248.326 2.085 10 0 BEAERO C[NH2+][C@H](c1ccc(C)s1)[C@H]1CCCO1 ZINC000035459225 173455667 /nfs/dbraw/zinc/45/56/67/173455667.db2.gz OWGRHGHOKBYZQR-KOLCDFICSA-N 1 0 211.330 2.496 10 0 BEAERO C[NH2+][C@H]1CCCCC[C@@H]1c1cnn(C)c1 ZINC000060716938 173459760 /nfs/dbraw/zinc/45/97/60/173459760.db2.gz AJNGDCMTLWLVQU-NEPJUHHUSA-N 1 0 207.321 2.056 10 0 BEAERO C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)C(C)(C)C)C1 ZINC000104446742 173460513 /nfs/dbraw/zinc/46/05/13/173460513.db2.gz SGRQQOLGCNFIRJ-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO COC(=O)C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000006482279 173626272 /nfs/dbraw/zinc/62/62/72/173626272.db2.gz OSVHNYZORQSSKG-ZDUSSCGKSA-N 1 0 233.311 2.387 10 0 BEAERO COC(=O)[C@@H](C)C[NH2+]C(C)(C)c1ccccc1 ZINC000298044961 173675223 /nfs/dbraw/zinc/67/52/23/173675223.db2.gz HDPRXSRFKKZERE-NSHDSACASA-N 1 0 235.327 2.320 10 0 BEAERO COC1CC[NH+]([C@@H]2CNc3ccccc3C2)CC1 ZINC000037761119 174029647 /nfs/dbraw/zinc/02/96/47/174029647.db2.gz BEIIXMCNFSXFIY-ZDUSSCGKSA-N 1 0 246.354 2.134 10 0 BEAERO COC1CC[NH+]([C@@]2(CN)CCC[C@@H](C)C2)CC1 ZINC000037265983 174030344 /nfs/dbraw/zinc/03/03/44/174030344.db2.gz BKRRVUJICLAIMI-OCCSQVGLSA-N 1 0 240.391 2.005 10 0 BEAERO COC1CCN([C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000042901175 174030823 /nfs/dbraw/zinc/03/08/23/174030823.db2.gz FHQLPXSPCLINBR-DOMZBBRYSA-N 1 0 248.370 2.186 10 0 BEAERO COC1CCN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000042901181 174030871 /nfs/dbraw/zinc/03/08/71/174030871.db2.gz FHQLPXSPCLINBR-IUODEOHRSA-N 1 0 248.370 2.186 10 0 BEAERO COC1CC[NH+]([C@@](C)(CN)CCC(C)C)CC1 ZINC000037265959 174031187 /nfs/dbraw/zinc/03/11/87/174031187.db2.gz VVRRIBCYPHGTJD-CQSZACIVSA-N 1 0 242.407 2.251 10 0 BEAERO COCC(C)(C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000125592469 174083126 /nfs/dbraw/zinc/08/31/26/174083126.db2.gz AQVLVBGDULBZFM-LBPRGKRZSA-N 1 0 235.327 2.005 10 0 BEAERO COCCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000044657325 174201962 /nfs/dbraw/zinc/20/19/62/174201962.db2.gz NCJJEXUDRDXKKJ-CYBMUJFWSA-N 1 0 235.327 2.396 10 0 BEAERO COCCC[NH2+]C[C@@H](C)n1ncc2ccccc21 ZINC000053536745 174246697 /nfs/dbraw/zinc/24/66/97/174246697.db2.gz WVKUPQBAALWUIF-GFCCVEGCSA-N 1 0 247.342 2.223 10 0 BEAERO COCCC[NH2+]C[C@H](C)N1CC[C@H](C)C[C@H]1C ZINC000053492983 174247277 /nfs/dbraw/zinc/24/72/77/174247277.db2.gz BSPDHXULHMZIIY-MJBXVCDLSA-N 1 0 242.407 2.121 10 0 BEAERO COCCC[NH2+][C@H](C)c1ccc(O)c(F)c1 ZINC000020551078 174249818 /nfs/dbraw/zinc/24/98/18/174249818.db2.gz REISNIDXNUOLDM-SECBINFHSA-N 1 0 227.279 2.218 10 0 BEAERO COCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336670950 174251489 /nfs/dbraw/zinc/25/14/89/174251489.db2.gz YPBIYACSDFHXBB-MNOVXSKESA-N 1 0 203.301 2.141 10 0 BEAERO COCCCO[C@@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042974217 174256161 /nfs/dbraw/zinc/25/61/61/174256161.db2.gz ODQGMSQZGHXCFU-GXFFZTMASA-N 1 0 241.306 2.267 10 0 BEAERO COCCCO[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042974216 174256168 /nfs/dbraw/zinc/25/61/68/174256168.db2.gz ODQGMSQZGHXCFU-MFKMUULPSA-N 1 0 241.306 2.267 10 0 BEAERO COCCCO[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042974218 174256226 /nfs/dbraw/zinc/25/62/26/174256226.db2.gz ODQGMSQZGHXCFU-ZWNOBZJWSA-N 1 0 241.306 2.267 10 0 BEAERO COCCCO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042942602 174256248 /nfs/dbraw/zinc/25/62/48/174256248.db2.gz UGMZIGCFPLPUFP-ZWNOBZJWSA-N 1 0 241.306 2.267 10 0 BEAERO COCCCO[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043048717 174256398 /nfs/dbraw/zinc/25/63/98/174256398.db2.gz MJNDQUTYPUHIIL-GXFFZTMASA-N 1 0 241.306 2.267 10 0 BEAERO COCCCOc1c(C)cc(CC[NH3+])cc1C ZINC000037754264 174256802 /nfs/dbraw/zinc/25/68/02/174256802.db2.gz ZTMTWMVRYNYNFL-UHFFFAOYSA-N 1 0 237.343 2.220 10 0 BEAERO COCCCO[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000037747114 174257104 /nfs/dbraw/zinc/25/71/04/174257104.db2.gz HEMSXNJOFRNSBH-GJZGRUSLSA-N 1 0 249.354 2.444 10 0 BEAERO COCCC[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000062229270 174262216 /nfs/dbraw/zinc/26/22/16/174262216.db2.gz AMLZKURJWBFWNV-AWEZNQCLSA-N 1 0 243.391 2.455 10 0 BEAERO COCCC[C@]1([NH3+])CCc2ccccc2C1 ZINC000053758971 174264853 /nfs/dbraw/zinc/26/48/53/174264853.db2.gz PZCXZXDRFACDPJ-AWEZNQCLSA-N 1 0 219.328 2.299 10 0 BEAERO COCCN([C@@H](C[NH3+])c1ccccc1C)C1CC1 ZINC000042517934 174284664 /nfs/dbraw/zinc/28/46/64/174284664.db2.gz FVDLWOOHTKGSLK-HNNXBMFYSA-N 1 0 248.370 2.106 10 0 BEAERO COCCN(C1CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000042518154 174285111 /nfs/dbraw/zinc/28/51/11/174285111.db2.gz FVVDHULZCBUFGZ-UONOGXRCSA-N 1 0 240.391 2.147 10 0 BEAERO COCCN([C@@H](C[NH3+])c1cccc(C)c1)C1CC1 ZINC000042517938 174285127 /nfs/dbraw/zinc/28/51/27/174285127.db2.gz VEQROEUAPKPGHB-HNNXBMFYSA-N 1 0 248.370 2.106 10 0 BEAERO COCC[N@H+]([C@@H](C)c1cccc(N)c1)C1CC1 ZINC000042517320 174285601 /nfs/dbraw/zinc/28/56/01/174285601.db2.gz YIFLCUHLCOVRED-NSHDSACASA-N 1 0 234.343 2.441 10 0 BEAERO COCC[N@H+](CC(C)C)[C@](C)(CN)CC(C)C ZINC000042368265 174288627 /nfs/dbraw/zinc/28/86/27/174288627.db2.gz NBBDIBPCFKMCOK-AWEZNQCLSA-N 1 0 244.423 2.354 10 0 BEAERO COCC[N@H+](Cc1cccc(N)c1C)C1CC1 ZINC000042517315 174299458 /nfs/dbraw/zinc/29/94/58/174299458.db2.gz RVOPGRHGJSEINE-UHFFFAOYSA-N 1 0 234.343 2.188 10 0 BEAERO COCCNC1=[NH+]C2(CS1)CCCCC2 ZINC000053097508 174330335 /nfs/dbraw/zinc/33/03/35/174330335.db2.gz XOIIPKXPRDIONV-UHFFFAOYSA-N 1 0 228.361 2.028 10 0 BEAERO COCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020038148 174330375 /nfs/dbraw/zinc/33/03/75/174330375.db2.gz KGTDRCBZHQMNKB-UHFFFAOYSA-N 1 0 209.333 2.191 10 0 BEAERO COCC[NH2+]CC(=O)c1c(C)cc(C)cc1C ZINC000049827491 174332142 /nfs/dbraw/zinc/33/21/42/174332142.db2.gz LCLAHKPJOISHCB-UHFFFAOYSA-N 1 0 235.327 2.031 10 0 BEAERO COCC[NH2+]CCCc1sccc1C ZINC000076285964 174332519 /nfs/dbraw/zinc/33/25/19/174332519.db2.gz QVQUMCWXZSBLHM-UHFFFAOYSA-N 1 0 213.346 2.225 10 0 BEAERO COCC[NH2+]CCCc1cccc(C)c1 ZINC000041216276 174332664 /nfs/dbraw/zinc/33/26/64/174332664.db2.gz JHXVQNXHQHDKTQ-UHFFFAOYSA-N 1 0 207.317 2.164 10 0 BEAERO COCC[NH2+]CC(C)(C)Cc1ccco1 ZINC000062103035 174332778 /nfs/dbraw/zinc/33/27/78/174332778.db2.gz UOWKTRTUWNVPFM-UHFFFAOYSA-N 1 0 211.305 2.084 10 0 BEAERO COCC[NH2+]CCOc1c(C)ccc(C)c1C ZINC000041279118 174333407 /nfs/dbraw/zinc/33/34/07/174333407.db2.gz LVKMQXQPKPAQFV-UHFFFAOYSA-N 1 0 237.343 2.227 10 0 BEAERO COCC[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000033466128 174333973 /nfs/dbraw/zinc/33/39/73/174333973.db2.gz LEMHGQNJGAZJAW-CQSZACIVSA-N 1 0 237.343 2.079 10 0 BEAERO COCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000054659704 174334131 /nfs/dbraw/zinc/33/41/31/174334131.db2.gz BPQMANYQJSYAHD-GFCCVEGCSA-N 1 0 207.317 2.101 10 0 BEAERO COCC[NH2+]Cc1cc(C)c(OC)cc1C ZINC000057516182 174334730 /nfs/dbraw/zinc/33/47/30/174334730.db2.gz IPXKHMHFBJWBHW-UHFFFAOYSA-N 1 0 223.316 2.048 10 0 BEAERO COCC[NH2+]Cc1cccc(F)c1Cl ZINC000083349136 174335387 /nfs/dbraw/zinc/33/53/87/174335387.db2.gz LEBOKINPYUXGMN-UHFFFAOYSA-N 1 0 217.671 2.215 10 0 BEAERO COCCOc1c(C)cc(C[C@@H](C)[NH3+])cc1C ZINC000037723270 174366348 /nfs/dbraw/zinc/36/63/48/174366348.db2.gz PWYIZFXVNSKIMW-GFCCVEGCSA-N 1 0 237.343 2.218 10 0 BEAERO COCCOc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000036927013 174367991 /nfs/dbraw/zinc/36/79/91/174367991.db2.gz NFXYSVYMFTXKRL-UHFFFAOYSA-N 1 0 249.232 2.189 10 0 BEAERO COCCOc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000071569954 174368923 /nfs/dbraw/zinc/36/89/23/174368923.db2.gz IBVQWFAPASKUQJ-AWEZNQCLSA-N 1 0 249.354 2.254 10 0 BEAERO COCC[C@@H](C)[NH2+]CCc1ccsc1 ZINC000045038136 174383266 /nfs/dbraw/zinc/38/32/66/174383266.db2.gz WELBCLCLHBEXCG-SNVBAGLBSA-N 1 0 213.346 2.305 10 0 BEAERO COCC[C@@H]([NH3+])c1nc2ccccc2s1 ZINC000052785310 174392557 /nfs/dbraw/zinc/39/25/57/174392557.db2.gz DSMNBQYRLQQLNT-MRVPVSSYSA-N 1 0 222.313 2.333 10 0 BEAERO COCC[C@@](C)([NH3+])c1ccc(F)c(C)c1 ZINC000055198444 174399943 /nfs/dbraw/zinc/39/99/43/174399943.db2.gz RUAYZNWNWDVERF-GFCCVEGCSA-N 1 0 211.280 2.345 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCC2)C12CCC2 ZINC000376178785 174781784 /nfs/dbraw/zinc/78/17/84/174781784.db2.gz UNTPYPVGYKRVMC-MVWJERBFSA-N 1 0 209.333 2.332 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122581539 174849651 /nfs/dbraw/zinc/84/96/51/174849651.db2.gz UXQKSRPBQMKHOO-UMSGYPCISA-N 1 0 229.364 2.061 10 0 BEAERO CO[C@H]1CCC[C@H]1Nc1cc[nH+]c(C)c1 ZINC000229566007 174883707 /nfs/dbraw/zinc/88/37/07/174883707.db2.gz KWOABCBJTWKNBF-NEPJUHHUSA-N 1 0 206.289 2.369 10 0 BEAERO COc1cc(Cl)c(C)cc1N1CC[C@@H]([NH3+])C1 ZINC000037483437 174988888 /nfs/dbraw/zinc/98/88/88/174988888.db2.gz DFUPSNUTIXNJTR-SECBINFHSA-N 1 0 240.734 2.194 10 0 BEAERO COc1cc(Cl)c(Cl)cc1C[NH3+] ZINC000083139414 174989053 /nfs/dbraw/zinc/98/90/53/174989053.db2.gz LQPLYIVGXQPUPT-UHFFFAOYSA-N 1 0 206.072 2.461 10 0 BEAERO COc1cc(OC)c([C@H]([NH3+])C(C)C)c(OC)c1 ZINC000019967917 175007659 /nfs/dbraw/zinc/00/76/59/175007659.db2.gz LTYZEQZMTRHVIY-CYBMUJFWSA-N 1 0 239.315 2.368 10 0 BEAERO COc1cc([C@@H]2CCC[NH2+]C2)cc(F)c1F ZINC000216077211 175014883 /nfs/dbraw/zinc/01/48/83/175014883.db2.gz HRUNEWGPSZFQAJ-MRVPVSSYSA-N 1 0 227.254 2.440 10 0 BEAERO COc1cc([C@@H]2C[C@H](C)C[NH2+]2)cc(OC)c1O ZINC000003705268 175015464 /nfs/dbraw/zinc/01/54/64/175015464.db2.gz IOQHMIKLQUQPKU-WPRPVWTQSA-N 1 0 237.299 2.080 10 0 BEAERO COc1cc([C@H]2CC[C@H]2[NH3+])c(OC)cc1C ZINC000006069839 175016577 /nfs/dbraw/zinc/01/65/77/175016577.db2.gz RUSUFOFGWALPJC-MWLCHTKSSA-N 1 0 221.300 2.217 10 0 BEAERO COc1cc2c(cc1OC)[C@H](CC[NH3+])CC2 ZINC000038284106 175025401 /nfs/dbraw/zinc/02/54/01/175025401.db2.gz VOMBADHZSODWPJ-VIFPVBQESA-N 1 0 221.300 2.082 10 0 BEAERO COc1ccc(-c2nc(C[C@H](C)[NH3+])[nH]c2C)cc1 ZINC000037608971 175028953 /nfs/dbraw/zinc/02/89/53/175028953.db2.gz PUZXKODIUFQWND-VIFPVBQESA-N 1 0 245.326 2.283 10 0 BEAERO COc1ccc(-c2c[nH]c(C[C@H](C)[NH3+])n2)cc1F ZINC000037608897 175036043 /nfs/dbraw/zinc/03/60/43/175036043.db2.gz QNVHAKFBRLTOBM-QMMMGPOBSA-N 1 0 249.289 2.114 10 0 BEAERO COc1ccc(/C=C/CCC[NH3+])cc1OC ZINC000071523101 175047136 /nfs/dbraw/zinc/04/71/36/175047136.db2.gz NSUDJRFVZNRBPU-GQCTYLIASA-N 1 0 221.300 2.456 10 0 BEAERO COc1ccc(C(=O)C[NH2+]C(C)(C)C)cc1 ZINC000041613033 175053573 /nfs/dbraw/zinc/05/35/73/175053573.db2.gz SSPIHBAAHYNCCE-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO COc1ccc(C(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000058327565 175065698 /nfs/dbraw/zinc/06/56/98/175065698.db2.gz HYUMMIOGCXBFRA-LBPRGKRZSA-N 1 0 219.284 2.020 10 0 BEAERO COc1ccc(C(=O)[C@H]([NH3+])CC(C)C)cc1F ZINC000036164230 175066263 /nfs/dbraw/zinc/06/62/63/175066263.db2.gz WZGDDZJENYOHCI-LLVKDONJSA-N 1 0 239.290 2.390 10 0 BEAERO COc1ccc(C(C)C)cc1COCC[NH3+] ZINC000057952733 175069328 /nfs/dbraw/zinc/06/93/28/175069328.db2.gz GMOSLLKDLSUDFU-UHFFFAOYSA-N 1 0 223.316 2.294 10 0 BEAERO COc1ccc(C)cc1C(=O)C[NH2+]CC(C)C ZINC000049827484 175072871 /nfs/dbraw/zinc/07/28/71/175072871.db2.gz RPLXKANLXZVFND-UHFFFAOYSA-N 1 0 235.327 2.432 10 0 BEAERO COc1ccc(C)cc1C1(C[NH3+])CCC1 ZINC000020429510 175073656 /nfs/dbraw/zinc/07/36/56/175073656.db2.gz BSTVVDPNSPOOAR-UHFFFAOYSA-N 1 0 205.301 2.384 10 0 BEAERO COc1ccc(C)cc1N(C)CCCC[NH3+] ZINC000049819013 175077110 /nfs/dbraw/zinc/07/71/10/175077110.db2.gz NUCMDTVSLSWAGM-UHFFFAOYSA-N 1 0 222.332 2.179 10 0 BEAERO COc1ccc(C)cc1NCCCC[NH3+] ZINC000049814306 175078555 /nfs/dbraw/zinc/07/85/55/175078555.db2.gz AVIFGCJSOKAFQL-UHFFFAOYSA-N 1 0 208.305 2.154 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])CSC ZINC000055264799 175079977 /nfs/dbraw/zinc/07/99/77/175079977.db2.gz LIHKXNHEZSYGOQ-JTQLQIEISA-N 1 0 211.330 2.366 10 0 BEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]CC(C)C ZINC000037873189 175081972 /nfs/dbraw/zinc/08/19/72/175081972.db2.gz JYYHMUYFZRYSSL-CYBMUJFWSA-N 1 0 237.343 2.283 10 0 BEAERO COc1ccc(C)cc1[C@H](O)C1CC[NH2+]CC1 ZINC000011630794 175082105 /nfs/dbraw/zinc/08/21/05/175082105.db2.gz IOEJZOSFIOINQH-CQSZACIVSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc(C)cc1[C@](C)(O)C[NH2+]C(C)C ZINC000033466285 175083036 /nfs/dbraw/zinc/08/30/36/175083036.db2.gz QLXIDQOZXKJATC-CQSZACIVSA-N 1 0 237.343 2.209 10 0 BEAERO COc1ccc(C2C[NH2+]C2)cc1Br ZINC000071551270 175086361 /nfs/dbraw/zinc/08/63/61/175086361.db2.gz QQHWQQQNSQBRCT-UHFFFAOYSA-N 1 0 242.116 2.145 10 0 BEAERO COc1ccc(CC[NH3+])c2sccc21 ZINC000082941395 175090381 /nfs/dbraw/zinc/09/03/81/175090381.db2.gz DOHNEXRYVXNHJD-UHFFFAOYSA-N 1 0 207.298 2.411 10 0 BEAERO COc1ccc(CC[NH2+]CC(C)C)cc1O ZINC000082954951 175091578 /nfs/dbraw/zinc/09/15/78/175091578.db2.gz BNLMCXAONURNEG-UHFFFAOYSA-N 1 0 223.316 2.189 10 0 BEAERO COc1ccc(CC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000041266217 175093945 /nfs/dbraw/zinc/09/39/45/175093945.db2.gz IWTNDDDMUPUUHP-GFCCVEGCSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(C[NH2+]C2CCC2)c(F)c1 ZINC000076642468 175105326 /nfs/dbraw/zinc/10/53/26/175105326.db2.gz JCAMDGUZUKELLK-UHFFFAOYSA-N 1 0 209.264 2.476 10 0 BEAERO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)cc1 ZINC000037876779 175112477 /nfs/dbraw/zinc/11/24/77/175112477.db2.gz PVLZFVTWNBEGKA-LSDHHAIUSA-N 1 0 249.354 2.478 10 0 BEAERO COc1ccc(COCCC[NH2+]C2CC2)cc1 ZINC000052643122 175113657 /nfs/dbraw/zinc/11/36/57/175113657.db2.gz WBSBRRXSVQOPRF-UHFFFAOYSA-N 1 0 235.327 2.354 10 0 BEAERO COc1ccc(CO[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000050503346 175114435 /nfs/dbraw/zinc/11/44/35/175114435.db2.gz ZYJRRSTWRICOTL-QWHCGFSZSA-N 1 0 221.300 2.092 10 0 BEAERO COc1ccc(C[C@H]([NH3+])Cc2ccco2)cc1 ZINC000011599717 175117298 /nfs/dbraw/zinc/11/72/98/175117298.db2.gz XFFLNZBEWVFKHM-LBPRGKRZSA-N 1 0 231.295 2.401 10 0 BEAERO COc1ccc(Cl)cc1CO[C@H]1CC[NH2+]C1 ZINC000051782634 175120231 /nfs/dbraw/zinc/12/02/31/175120231.db2.gz YJYJMVOQSFZECO-NSHDSACASA-N 1 0 241.718 2.227 10 0 BEAERO COc1ccc(Cl)cc1[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000036164545 175121974 /nfs/dbraw/zinc/12/19/74/175121974.db2.gz SKBBFGOMBCRYPE-ZYHUDNBSSA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc(Cl)cc1[C@H](O)[C@@H]([NH3+])C(C)C ZINC000071558231 175123086 /nfs/dbraw/zinc/12/30/86/175123086.db2.gz PFOOKDWRAHLAMD-RYUDHWBXSA-N 1 0 243.734 2.365 10 0 BEAERO COc1ccc(F)c(C(C)(C)[NH3+])c1F ZINC000075925403 175124131 /nfs/dbraw/zinc/12/41/31/175124131.db2.gz PKWZUBOZELBMKX-UHFFFAOYSA-N 1 0 201.216 2.167 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccoc1 ZINC000035381477 175132509 /nfs/dbraw/zinc/13/25/09/175132509.db2.gz SWAPXSKPSRJFRY-LBPRGKRZSA-N 1 0 221.231 2.475 10 0 BEAERO COc1ccc(F)cc1[C@H](OCC[NH3+])C1CC1 ZINC000071549351 175134395 /nfs/dbraw/zinc/13/43/95/175134395.db2.gz JWDXFSMPCXJKKY-CYBMUJFWSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc(NC(=O)[C@H](C)CCC[NH3+])cc1 ZINC000076619149 175146774 /nfs/dbraw/zinc/14/67/74/175146774.db2.gz MVXFNGYMGLDYEE-SNVBAGLBSA-N 1 0 236.315 2.009 10 0 BEAERO COc1ccc(NCCC[NH+](C)C)cc1 ZINC000041217977 175150399 /nfs/dbraw/zinc/15/03/99/175150399.db2.gz QYRRGDIPAGWFRL-UHFFFAOYSA-N 1 0 208.305 2.059 10 0 BEAERO COc1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000041234291 175151974 /nfs/dbraw/zinc/15/19/74/175151974.db2.gz BCAHRCYMPUYUIC-NSHDSACASA-N 1 0 220.316 2.107 10 0 BEAERO COc1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000041234290 175151991 /nfs/dbraw/zinc/15/19/91/175151991.db2.gz BCAHRCYMPUYUIC-LLVKDONJSA-N 1 0 220.316 2.107 10 0 BEAERO COc1ccc(N[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000061566816 175153769 /nfs/dbraw/zinc/15/37/69/175153769.db2.gz HBPWJTRMWANYGF-LLVKDONJSA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(OC)c(CCCCC[NH3+])c1 ZINC000036161297 175165613 /nfs/dbraw/zinc/16/56/13/175165613.db2.gz VVBBCTTXMGVPPW-UHFFFAOYSA-N 1 0 223.316 2.375 10 0 BEAERO COc1ccc(OC)c(C[C@@H](C)CC[NH3+])c1 ZINC000041242735 175166552 /nfs/dbraw/zinc/16/65/52/175166552.db2.gz ZIXBTUDCGJCCOO-JTQLQIEISA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(OC)c([C@@H]2C[NH2+][C@H](C)C2)c1 ZINC000070586838 175167804 /nfs/dbraw/zinc/16/78/04/175167804.db2.gz RBJOSJKDKSSKJQ-ZJUUUORDSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc(OC)c2c1CC[NH2+][C@H]2C1CC1 ZINC000028429934 175170842 /nfs/dbraw/zinc/17/08/42/175170842.db2.gz BUFVEHPXNPTIRG-AWEZNQCLSA-N 1 0 233.311 2.301 10 0 BEAERO COc1ccc(OCC2CC2)c(C[C@@H](C)[NH3+])c1 ZINC000037722731 175172083 /nfs/dbraw/zinc/17/20/83/175172083.db2.gz ZDGLLEWZBWYBOV-SNVBAGLBSA-N 1 0 235.327 2.374 10 0 BEAERO COc1ccc(OCCC[C@@H](C)[NH3+])cc1 ZINC000041218761 175172425 /nfs/dbraw/zinc/17/24/25/175172425.db2.gz BSNKBILMEXVERH-SNVBAGLBSA-N 1 0 209.289 2.201 10 0 BEAERO COc1ccc(Oc2ccc(C(N)=[NH2+])cn2)cc1 ZINC000019473061 175173711 /nfs/dbraw/zinc/17/37/11/175173711.db2.gz HPWFCZMAGWYTJK-UHFFFAOYSA-N 1 0 243.266 2.167 10 0 BEAERO COc1ccc([C@@H](N)C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000036785170 175179769 /nfs/dbraw/zinc/17/97/69/175179769.db2.gz KMBSGCVNZXIZQT-ABAIWWIYSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccc([C@@H](SC)[C@H](C)[NH3+])cc1 ZINC000042965173 175181828 /nfs/dbraw/zinc/18/18/28/175181828.db2.gz OVYVVKMVSLAQCH-KWQFWETISA-N 1 0 211.330 2.447 10 0 BEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CC2CC2)cc1 ZINC000042961358 175181847 /nfs/dbraw/zinc/18/18/47/175181847.db2.gz VGMHVIJEUPNUDS-IAQYHMDHSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])n2cc(C)cn2)cc1 ZINC000042962331 175181936 /nfs/dbraw/zinc/18/19/36/175181936.db2.gz YBPOHGHNBCHCMY-BXUZGUMPSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccc([C@@H]2C[NH2+][C@H](C)C2)c(OC)c1 ZINC000070586518 175184843 /nfs/dbraw/zinc/18/48/43/175184843.db2.gz REVMKZOMMGPMQL-ZJUUUORDSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H]([NH3+])C2CC2)c(OC)c1OC ZINC000003739326 175190803 /nfs/dbraw/zinc/19/08/03/175190803.db2.gz CZJBGVFQAMFRRD-LLVKDONJSA-N 1 0 237.299 2.122 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCO2)c(F)c1 ZINC000036766424 175191915 /nfs/dbraw/zinc/19/19/15/175191915.db2.gz JXEQINCPOYVQFU-RYUDHWBXSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCCO2)cc1 ZINC000050960627 175192140 /nfs/dbraw/zinc/19/21/40/175192140.db2.gz NHXUGZQWFDXBTC-STQMWFEESA-N 1 0 221.300 2.264 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@H]2CCCCO2)c(F)c1 ZINC000050962714 175192331 /nfs/dbraw/zinc/19/23/31/175192331.db2.gz NDPOXHQGZOTJHY-OLZOCXBDSA-N 1 0 239.290 2.403 10 0 BEAERO COc1ccc([C@H](O)CC[NH2+]C(C)C)cc1C ZINC000049828951 175193125 /nfs/dbraw/zinc/19/31/25/175193125.db2.gz XMUKKJKZSZXVHJ-CYBMUJFWSA-N 1 0 237.343 2.425 10 0 BEAERO COc1ccc([C@H](OCC[NH3+])c2ccco2)cc1 ZINC000019676415 175193904 /nfs/dbraw/zinc/19/39/04/175193904.db2.gz HTWAIZXUCJEKEY-AWEZNQCLSA-N 1 0 247.294 2.353 10 0 BEAERO COc1ccc([C@H]([C@@H](C)[NH3+])N(C)C(C)C)cc1 ZINC000042960202 175193950 /nfs/dbraw/zinc/19/39/50/175193950.db2.gz JNXSEVOZKOBORH-RISCZKNCSA-N 1 0 236.359 2.424 10 0 BEAERO COc1ccc([C@H]2CC[C@@H]([NH3+])C2)c(OC)c1 ZINC000057513886 175195478 /nfs/dbraw/zinc/19/54/78/175195478.db2.gz RNNHWAPUVXCBNI-VHSXEESVSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@H]2CC[C@@H]([NH3+])C2)cc1F ZINC000070636579 175195509 /nfs/dbraw/zinc/19/55/09/175195509.db2.gz GABLSUYQTOJLEP-WCBMZHEXSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc([C@H]2CC[C@@H]([NH3+])C2)cc1OC ZINC000057513866 175195934 /nfs/dbraw/zinc/19/59/34/175195934.db2.gz IRUBPYBJRQOCFG-GXSJLCMTSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@H]2CSCC[NH2+]2)c(OC)c1 ZINC000041282390 175197038 /nfs/dbraw/zinc/19/70/38/175197038.db2.gz HHDSZHZDCRZLJJ-LLVKDONJSA-N 1 0 239.340 2.081 10 0 BEAERO COc1ccc([C@H]2C[NH2+][C@H](C)C2)cc1F ZINC000071511555 175197127 /nfs/dbraw/zinc/19/71/27/175197127.db2.gz VVPURDLJNKCTBG-PSASIEDQSA-N 1 0 209.264 2.300 10 0 BEAERO COc1ccc([C@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)cc1 ZINC000072415343 175197810 /nfs/dbraw/zinc/19/78/10/175197810.db2.gz HJLYZPQCRBLZAL-MFKMUULPSA-N 1 0 243.310 2.148 10 0 BEAERO COc1ccc([C@H]2C[C@@H]2[NH3+])cc1Br ZINC000038052475 175198246 /nfs/dbraw/zinc/19/82/46/175198246.db2.gz TVAMLWWUHJYULX-APPZFPTMSA-N 1 0 242.116 2.272 10 0 BEAERO COc1ccc([C@H]2[NH2+]CC[C@H]2C)c(OC)c1 ZINC000003733557 175198741 /nfs/dbraw/zinc/19/87/41/175198741.db2.gz BORQHNYEIKZWJK-RNCFNFMXSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc2[nH]c(SC[C@@H](C)[NH3+])nc2c1 ZINC000075954846 175201664 /nfs/dbraw/zinc/20/16/64/175201664.db2.gz JZEHWXMTRCRCAB-SSDOTTSWSA-N 1 0 237.328 2.011 10 0 BEAERO COc1ccc2c(c1)CC[NH2+][C@@H]2c1ccncc1 ZINC000019625655 175209199 /nfs/dbraw/zinc/20/91/99/175209199.db2.gz YTQCJMMJKRBJGA-OAHLLOKOSA-N 1 0 240.306 2.325 10 0 BEAERO COc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)[C@H]2N ZINC000019394991 175209781 /nfs/dbraw/zinc/20/97/81/175209781.db2.gz OJMFIOXFHYFRTA-CABCVRRESA-N 1 0 246.354 2.106 10 0 BEAERO COc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)[C@@H]2N ZINC000019394982 175209845 /nfs/dbraw/zinc/20/98/45/175209845.db2.gz OJMFIOXFHYFRTA-LSDHHAIUSA-N 1 0 246.354 2.106 10 0 BEAERO COc1ccc2c(c1)NCCC1(CC[NH2+]CC1)O2 ZINC000095627744 175211872 /nfs/dbraw/zinc/21/18/72/175211872.db2.gz NRZHEPPBKWPEBB-UHFFFAOYSA-N 1 0 248.326 2.012 10 0 BEAERO COc1ccc2c(c1)[C@H](C[NH3+])CCS2 ZINC000082375867 175216348 /nfs/dbraw/zinc/21/63/48/175216348.db2.gz VIKGOJSIVWIWFR-QMMMGPOBSA-N 1 0 209.314 2.233 10 0 BEAERO COc1ccc2c(c1)[nH]c1c2cc[n+](C)c1C ZINC000006521032 175217676 /nfs/dbraw/zinc/21/76/76/175217676.db2.gz SNPOLGTUMADPOR-UHFFFAOYSA-O 1 0 227.287 2.463 10 0 in-vitro BEAERO COc1ccc2c(c1)nc([C@H]1CCC[NH2+]1)n2C ZINC000075868332 175219543 /nfs/dbraw/zinc/21/95/43/175219543.db2.gz LZQZRYYGPKQOOI-SNVBAGLBSA-N 1 0 231.299 2.006 10 0 BEAERO COc1ccc2c(c1)nc([C@H]1CCC[NH2+]C1)n2C ZINC000074298305 175220083 /nfs/dbraw/zinc/22/00/83/175220083.db2.gz ZYIQZFIIDUADPJ-JTQLQIEISA-N 1 0 245.326 2.049 10 0 BEAERO COc1ccc2c(c1Br)C[NH2+]CC2 ZINC000082790866 175220207 /nfs/dbraw/zinc/22/02/07/175220207.db2.gz BKPATNRHYNVDDE-UHFFFAOYSA-N 1 0 242.116 2.103 10 0 BEAERO COc1ccc2c(c1Cl)CC[NH2+]CC2 ZINC000029060642 175221248 /nfs/dbraw/zinc/22/12/48/175221248.db2.gz MTMWXZLPOFILDB-UHFFFAOYSA-N 1 0 211.692 2.037 10 0 BEAERO COc1ccc2c(c1OC)CC[C@H]1[NH2+]CCC[C@@H]21 ZINC000039416427 175222143 /nfs/dbraw/zinc/22/21/43/175222143.db2.gz YWKHDAGHQCRPAH-WCQYABFASA-N 1 0 247.338 2.486 10 0 BEAERO COc1ccc2c(ccn2CC[NH2+]C2CC2)c1 ZINC000053527531 175222597 /nfs/dbraw/zinc/22/25/97/175222597.db2.gz ZRVMEPRDTJKLEQ-UHFFFAOYSA-N 1 0 230.311 2.402 10 0 BEAERO COc1ccc2c(c1OC)C[C@@H]1CCC[NH2+][C@H]1C2 ZINC000095067805 175223018 /nfs/dbraw/zinc/22/30/18/175223018.db2.gz AUGAMLJKYPRJTJ-AAEUAGOBSA-N 1 0 247.338 2.171 10 0 BEAERO COc1ccc2c(c1OC)OC(C)(C)C[C@@H]2[NH3+] ZINC000011848978 175223067 /nfs/dbraw/zinc/22/30/67/175223067.db2.gz JFGLESYTHHUHNS-VIFPVBQESA-N 1 0 237.299 2.265 10 0 BEAERO COc1ccc2oc([C@@H]([NH3+])C(C)C)nc2c1 ZINC000075854412 175231484 /nfs/dbraw/zinc/23/14/84/175231484.db2.gz KBHXAWDNSDWYPR-NSHDSACASA-N 1 0 220.272 2.492 10 0 BEAERO COc1ccc2oc(CC(C)(C)[NH3+])nc2c1 ZINC000083016175 175231679 /nfs/dbraw/zinc/23/16/79/175231679.db2.gz QYDWDKFADGBKIK-UHFFFAOYSA-N 1 0 220.272 2.116 10 0 BEAERO COc1cccc(-c2nnc(C[NH2+]C(C)C)o2)c1 ZINC000050616080 175237790 /nfs/dbraw/zinc/23/77/90/175237790.db2.gz IGVVDDPMCSFXCR-UHFFFAOYSA-N 1 0 247.298 2.243 10 0 BEAERO COc1cccc(C2(F)CC[NH2+]CC2)c1 ZINC000107150457 175248547 /nfs/dbraw/zinc/24/85/47/175248547.db2.gz NSIKPWJVHSMZFL-UHFFFAOYSA-N 1 0 209.264 2.243 10 0 BEAERO COc1cccc(C[C@@H](C[NH3+])C(C)C)c1 ZINC000041216393 175270294 /nfs/dbraw/zinc/27/02/94/175270294.db2.gz DRDFTYSJUPLJLO-LBPRGKRZSA-N 1 0 207.317 2.469 10 0 BEAERO COc1cccc(Cc2ncc(C[NH3+])s2)c1 ZINC000040996545 175273699 /nfs/dbraw/zinc/27/36/99/175273699.db2.gz IAWNVTIMMPTOSM-UHFFFAOYSA-N 1 0 234.324 2.201 10 0 BEAERO COc1cccc(N2CCC[NH2+]C[C@H](C)C2)c1 ZINC000049665507 175274906 /nfs/dbraw/zinc/27/49/06/175274906.db2.gz SVWZQCJWDWWAAP-LBPRGKRZSA-N 1 0 234.343 2.131 10 0 BEAERO COc1cccc(N(C)C[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000053872905 175275133 /nfs/dbraw/zinc/27/51/33/175275133.db2.gz RTNWPULDNHLWJG-FZMZJTMJSA-N 1 0 234.343 2.259 10 0 BEAERO COc1cccc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000019511020 175277448 /nfs/dbraw/zinc/27/74/48/175277448.db2.gz WSSUKRIIZLMRHS-ZWNOBZJWSA-N 1 0 248.326 2.164 10 0 BEAERO COc1cccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000104117731 175279953 /nfs/dbraw/zinc/27/99/53/175279953.db2.gz GMZKHBOLDNRWNR-NWDGAFQWSA-N 1 0 247.342 2.129 10 0 BEAERO COc1cccc(N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000020441103 175280007 /nfs/dbraw/zinc/28/00/07/175280007.db2.gz PYCNBQWMIAEVAL-CQSZACIVSA-N 1 0 232.327 2.201 10 0 BEAERO COc1cccc(Nc2cc(N)cc[nH+]2)c1 ZINC000043568780 175281191 /nfs/dbraw/zinc/28/11/91/175281191.db2.gz DEKOGOHIOVPUKV-UHFFFAOYSA-N 1 0 215.256 2.416 10 0 BEAERO COc1cccc(OC)c1OCCC[C@H](C)[NH3+] ZINC000041282098 175281410 /nfs/dbraw/zinc/28/14/10/175281410.db2.gz YQVCJBSJJYHKLX-JTQLQIEISA-N 1 0 239.315 2.210 10 0 BEAERO COc1cccc(OCC[C@@H](C)C[NH3+])c1 ZINC000041218741 175283561 /nfs/dbraw/zinc/28/35/61/175283561.db2.gz HILHNFIGEPVWML-SNVBAGLBSA-N 1 0 209.289 2.059 10 0 BEAERO COc1cccc(O[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000019398074 175284737 /nfs/dbraw/zinc/28/47/37/175284737.db2.gz OOQZNVDFFQHGTL-STQMWFEESA-N 1 0 221.300 2.344 10 0 BEAERO COc1cccc([C@@H](C[NH3+])OCC(F)(F)F)c1 ZINC000043029107 175288211 /nfs/dbraw/zinc/28/82/11/175288211.db2.gz IWSPRFXGWDRHJM-SNVBAGLBSA-N 1 0 249.232 2.274 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2ccncc2)c1 ZINC000037466449 175288476 /nfs/dbraw/zinc/28/84/76/175288476.db2.gz DAKBYZAXNNKLCC-ZDUSSCGKSA-N 1 0 214.268 2.138 10 0 BEAERO COc1cccc([C@@H](N)C[N@@H+]2CCC[C@H]2C)c1 ZINC000037910623 175288536 /nfs/dbraw/zinc/28/85/36/175288536.db2.gz IUWUZSKOPVUUPX-RISCZKNCSA-N 1 0 234.343 2.179 10 0 BEAERO COc1cccc([C@@H]([NH3+])[C@H]2CCCOC2)c1 ZINC000082364250 175289286 /nfs/dbraw/zinc/28/92/86/175289286.db2.gz OTSLTZKQNJDQCB-WCQYABFASA-N 1 0 221.300 2.122 10 0 BEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N2CCCC2)c1 ZINC000043025415 175289623 /nfs/dbraw/zinc/28/96/23/175289623.db2.gz NUYDEGMHCVTPIO-BXUZGUMPSA-N 1 0 234.343 2.179 10 0 BEAERO COc1cccc([C@@H]([C@H](C)[NH3+])N2CCCC2)c1 ZINC000043025411 175289694 /nfs/dbraw/zinc/28/96/94/175289694.db2.gz NUYDEGMHCVTPIO-SMDDNHRTSA-N 1 0 234.343 2.179 10 0 BEAERO COc1cccc([C@@H](OCC[NH3+])C2CC2)c1 ZINC000071523129 175289737 /nfs/dbraw/zinc/28/97/37/175289737.db2.gz YFJJJUVBNLFGTM-ZDUSSCGKSA-N 1 0 221.300 2.122 10 0 BEAERO COc1cccc([C@@H](SC)[C@@H](C)[NH3+])c1 ZINC000043032974 175290060 /nfs/dbraw/zinc/29/00/60/175290060.db2.gz XEOKAUOVLDSSLV-KCJUWKMLSA-N 1 0 211.330 2.447 10 0 BEAERO COc1cccc([C@@H]([C@H](C)[NH3+])n2cc(C)cn2)c1 ZINC000043028867 175290236 /nfs/dbraw/zinc/29/02/36/175290236.db2.gz YZZQIYSXKNHZKC-SMDDNHRTSA-N 1 0 245.326 2.137 10 0 BEAERO COc1cccc([C@@H]2[NH2+]C(C)(C)CO2)c1 ZINC000049813773 175290564 /nfs/dbraw/zinc/29/05/64/175290564.db2.gz NXXHYHWBGBUARG-LLVKDONJSA-N 1 0 207.273 2.092 10 0 BEAERO COc1cccc([C@@]23CC[C@@H](C2)[NH2+]CC3)c1 ZINC000060163805 175291758 /nfs/dbraw/zinc/29/17/58/175291758.db2.gz MBFNRLNZIHAMFE-GXTWGEPZSA-N 1 0 217.312 2.479 10 0 BEAERO COc1cccc([C@H](CN)[N@H+](C)CC(C)C)c1 ZINC000020225829 175294352 /nfs/dbraw/zinc/29/43/52/175294352.db2.gz OZXXZQBSKJVQRY-AWEZNQCLSA-N 1 0 236.359 2.283 10 0 BEAERO COc1cccc([C@H]([NH3+])Cn2nc(C)cc2C)c1 ZINC000011849913 175295255 /nfs/dbraw/zinc/29/52/55/175295255.db2.gz VTUMWVJWVLEIPQ-CQSZACIVSA-N 1 0 245.326 2.209 10 0 BEAERO COc1cccc2c1SC[C@H](C)[C@H]2[NH3+] ZINC000041030733 175304713 /nfs/dbraw/zinc/30/47/13/175304713.db2.gz AMCIBBNBXJISTB-OIBJUYFYSA-N 1 0 209.314 2.437 10 0 BEAERO COc1cccc2c1SCC[C@@H]2C[NH3+] ZINC000082374864 175304807 /nfs/dbraw/zinc/30/48/07/175304807.db2.gz GLDJYHWIWIDDRP-MRVPVSSYSA-N 1 0 209.314 2.233 10 0 BEAERO COc1ccccc1-c1c[nH]c([C@H](C)[NH3+])n1 ZINC000036872265 175310205 /nfs/dbraw/zinc/31/02/05/175310205.db2.gz SZGDWXYBPODKLJ-QMMMGPOBSA-N 1 0 217.272 2.105 10 0 BEAERO COc1ccccc1C(=O)CC[NH2+]C1CC1 ZINC000049817161 175316284 /nfs/dbraw/zinc/31/62/84/175316284.db2.gz ZJZUQINDHBZIFW-UHFFFAOYSA-N 1 0 219.284 2.020 10 0 BEAERO COc1ccccc1CC[C@@H]1COC[C@H](C)[NH2+]1 ZINC000071545504 175323220 /nfs/dbraw/zinc/32/32/20/175323220.db2.gz PTYIHTQDBBCHKQ-WCQYABFASA-N 1 0 235.327 2.005 10 0 BEAERO COc1ccccc1CC[C@H]1COC[C@H](C)[NH2+]1 ZINC000071545502 175325104 /nfs/dbraw/zinc/32/51/04/175325104.db2.gz PTYIHTQDBBCHKQ-AAEUAGOBSA-N 1 0 235.327 2.005 10 0 BEAERO COc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000042229858 175325965 /nfs/dbraw/zinc/32/59/65/175325965.db2.gz YRZGTTZBANNEMK-STQMWFEESA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000062622634 175329039 /nfs/dbraw/zinc/32/90/39/175329039.db2.gz KWIVNIFBPZJMAE-PBWFPOADSA-N 1 0 247.338 2.183 10 0 BEAERO COc1ccccc1C[C@@H]([NH3+])Cc1ccco1 ZINC000011599702 175332911 /nfs/dbraw/zinc/33/29/11/175332911.db2.gz NHYGIUQDCDJBMH-GFCCVEGCSA-N 1 0 231.295 2.401 10 0 BEAERO COc1ccccc1N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000062912219 175335729 /nfs/dbraw/zinc/33/57/29/175335729.db2.gz OOQJGIJZFRCIGE-AWEZNQCLSA-N 1 0 234.343 2.131 10 0 BEAERO COc1ccccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054627241 175336284 /nfs/dbraw/zinc/33/62/84/175336284.db2.gz MREAJWFWRVZDKD-YOGCLGLASA-N 1 0 232.327 2.154 10 0 BEAERO COc1ccccc1NC[C@H](C)CC[NH3+] ZINC000049814314 175337859 /nfs/dbraw/zinc/33/78/59/175337859.db2.gz WASDJHOFCFAZPY-SNVBAGLBSA-N 1 0 208.305 2.092 10 0 BEAERO COc1ccccc1OC[C@@H](C[NH3+])c1ccc[nH]1 ZINC000076631344 175341365 /nfs/dbraw/zinc/34/13/65/175341365.db2.gz XVYVZDXXCNBNMB-LLVKDONJSA-N 1 0 246.310 2.145 10 0 BEAERO COc1ccccc1OCC[C@H]([NH3+])C1CC1 ZINC000032013980 175342034 /nfs/dbraw/zinc/34/20/34/175342034.db2.gz QHTBHEWGNGSYEK-NSHDSACASA-N 1 0 221.300 2.201 10 0 BEAERO COc1ccccc1[C@@H](N)C[N@H+](C)CC1CC1 ZINC000037925474 175347219 /nfs/dbraw/zinc/34/72/19/175347219.db2.gz MARDTPMCVSUXBR-ZDUSSCGKSA-N 1 0 234.343 2.037 10 0 BEAERO COc1ccccc1[C@@H](O)[C@H]([NH3+])CC(C)C ZINC000032014651 175347316 /nfs/dbraw/zinc/34/73/16/175347316.db2.gz USROZQCQFVCXSK-DGCLKSJQSA-N 1 0 223.316 2.102 10 0 BEAERO COc1ccccc1[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000032104752 175347494 /nfs/dbraw/zinc/34/74/94/175347494.db2.gz NHWZREJTIFSZAJ-AWEZNQCLSA-N 1 0 249.354 2.461 10 0 BEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C(C)C ZINC000043096727 175347753 /nfs/dbraw/zinc/34/77/53/175347753.db2.gz NUFTWPBEYVUYKN-BXUZGUMPSA-N 1 0 236.359 2.424 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])Cc1nccs1 ZINC000036279103 175347870 /nfs/dbraw/zinc/34/78/70/175347870.db2.gz AUEGLMWIXWIWKT-JTQLQIEISA-N 1 0 234.324 2.394 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])[C@@H]1CCSC1 ZINC000082362125 175347941 /nfs/dbraw/zinc/34/79/41/175347941.db2.gz KXIYBQYQQQIUPM-SKDRFNHKSA-N 1 0 223.341 2.448 10 0 BEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])n1ccnc1C ZINC000043098689 175349235 /nfs/dbraw/zinc/34/92/35/175349235.db2.gz BBUVFTPIWHAMQQ-IINYFYTJSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccccc1[C@@](O)(C[NH2+]C1CC1)C(C)C ZINC000032104742 175349685 /nfs/dbraw/zinc/34/96/85/175349685.db2.gz QVDHCNGZYBTKAX-OAHLLOKOSA-N 1 0 249.354 2.291 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000131733969 175352249 /nfs/dbraw/zinc/35/22/49/175352249.db2.gz QSFCUCNEKRQPNN-TUAOUCFPSA-N 1 0 237.343 2.363 10 0 BEAERO COc1ccccc1[C@H]([NH3+])c1cncc(F)c1 ZINC000049576103 175353398 /nfs/dbraw/zinc/35/33/98/175353398.db2.gz GFYPKHVYGDHJNU-CYBMUJFWSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccccc1[C@H]([NH3+])C[C@H]1CCCO1 ZINC000037466772 175353476 /nfs/dbraw/zinc/35/34/76/175353476.db2.gz DYTYLICZXXAQEH-ZYHUDNBSSA-N 1 0 221.300 2.264 10 0 BEAERO COc1ccccc1[C@H]([NH3+])Cc1nccs1 ZINC000036279100 175353834 /nfs/dbraw/zinc/35/38/34/175353834.db2.gz AUEGLMWIXWIWKT-SNVBAGLBSA-N 1 0 234.324 2.394 10 0 BEAERO COc1ccccc1[C@H](O)C[NH2+]C(C)(C)C ZINC000032014587 175354760 /nfs/dbraw/zinc/35/47/60/175354760.db2.gz JZGVWCFETHRZQM-LLVKDONJSA-N 1 0 223.316 2.117 10 0 BEAERO COc1ccccc1[C@H]1C[NH2+]C(C)(C)CO1 ZINC000011803222 175354999 /nfs/dbraw/zinc/35/49/99/175354999.db2.gz DELZORBSUKCZJJ-GFCCVEGCSA-N 1 0 221.300 2.135 10 0 BEAERO COc1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000037184333 175397221 /nfs/dbraw/zinc/39/72/21/175397221.db2.gz KJPXKYNDYIITIS-UHFFFAOYSA-N 1 0 239.344 2.293 10 0 BEAERO COc1ncccc1[C@H]1CCCCC[NH2+]1 ZINC000006027181 175410908 /nfs/dbraw/zinc/41/09/08/175410908.db2.gz ZCFBPEPPNCGBKR-LLVKDONJSA-N 1 0 206.289 2.295 10 0 BEAERO CSC(C)(C)C[NH2+]Cc1nc(C)ccc1O ZINC000128208090 175443313 /nfs/dbraw/zinc/44/33/13/175443313.db2.gz QTOVYYYYPCLKKQ-UHFFFAOYSA-N 1 0 240.372 2.327 10 0 BEAERO CSCC[C@H]([NH3+])CN(C)c1ccccc1 ZINC000011805306 175507808 /nfs/dbraw/zinc/50/78/08/175507808.db2.gz KQCWHJWECHWQTF-NSHDSACASA-N 1 0 224.373 2.203 10 0 BEAERO C[C@@H](CC(=O)NC1(C)CC[NH2+]CC1)C(C)(C)C ZINC000229622004 175641908 /nfs/dbraw/zinc/64/19/08/175641908.db2.gz MMZMGPWHAKGPAP-NSHDSACASA-N 1 0 240.391 2.317 10 0 BEAERO C[C@@H](CC[NH2+]CCc1nnc[nH]1)c1ccccc1 ZINC000080574437 175675604 /nfs/dbraw/zinc/67/56/04/175675604.db2.gz KPNFCPYCTKOBRT-LBPRGKRZSA-N 1 0 244.342 2.131 10 0 BEAERO C[C@@H](C[NH3+])C(=O)Nc1ccc(F)cc1Cl ZINC000054337765 175706086 /nfs/dbraw/zinc/70/60/86/175706086.db2.gz MWBJATXPHZNVBE-LURJTMIESA-N 1 0 230.670 2.012 10 0 BEAERO C[C@@H](C[NH3+])CNc1ccnc(C(F)(F)F)c1 ZINC000304237922 175708553 /nfs/dbraw/zinc/70/85/53/175708553.db2.gz CKFWRFTZOPUDRF-ZETCQYMHSA-N 1 0 233.237 2.107 10 0 BEAERO C[C@@H](C[NH3+])Cn1ncc(Cl)c1C1CC1 ZINC000020313464 175708790 /nfs/dbraw/zinc/70/87/90/175708790.db2.gz JUEWAWWEFCRPLU-ZETCQYMHSA-N 1 0 213.712 2.009 10 0 BEAERO C[C@@H](C[NH3+])c1nc2ccc(F)cc2s1 ZINC000082951726 175714096 /nfs/dbraw/zinc/71/40/96/175714096.db2.gz HMYJPYZSYCOBJN-LURJTMIESA-N 1 0 210.277 2.498 10 0 BEAERO C[C@@H](CO)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037258818 175756781 /nfs/dbraw/zinc/75/67/81/175756781.db2.gz YUCAVXDTIIQVIC-TVQRCGJNSA-N 1 0 223.291 2.247 10 0 BEAERO C[C@@H]([NH3+])Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000071437185 175807399 /nfs/dbraw/zinc/80/73/99/175807399.db2.gz XDCMQGKGCFAATO-SSDOTTSWSA-N 1 0 246.232 2.077 10 0 BEAERO C[C@@H]([NH3+])Cc1noc(C(C)(C)c2ccccc2)n1 ZINC000054161224 175807836 /nfs/dbraw/zinc/80/78/36/175807836.db2.gz ZCMPPRUAUOUTKY-SNVBAGLBSA-N 1 0 245.326 2.285 10 0 BEAERO C[C@@H]([NH3+])[C@@H](Sc1cnccn1)c1cccnc1 ZINC000104357022 175809665 /nfs/dbraw/zinc/80/96/65/175809665.db2.gz KNJRIKIQOHOFPN-BXKDBHETSA-N 1 0 246.339 2.052 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccccc1)n1cc(Cl)cn1 ZINC000042902835 175813147 /nfs/dbraw/zinc/81/31/47/175813147.db2.gz YPSHRJHLZLERPR-BXKDBHETSA-N 1 0 235.718 2.473 10 0 BEAERO C[C@@H]([NH3+])c1ccc(OCc2ncccn2)cc1 ZINC000054458253 175818001 /nfs/dbraw/zinc/81/80/01/175818001.db2.gz CRADJJCLOPNCRW-SNVBAGLBSA-N 1 0 229.283 2.075 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000087287380 487631884 /nfs/dbraw/zinc/63/18/84/487631884.db2.gz CLSRTRMAFQHKCY-SNVBAGLBSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@@H](NC(=O)[C@](C)([NH3+])C1CC1)c1cccs1 ZINC000037478989 175846702 /nfs/dbraw/zinc/84/67/02/175846702.db2.gz DFHLOJOCFURUNC-PRHODGIISA-N 1 0 238.356 2.053 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000020137933 175890613 /nfs/dbraw/zinc/89/06/13/175890613.db2.gz SFFMBBXXDZABAI-ZYHUDNBSSA-N 1 0 233.311 2.215 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccncc1 ZINC000038044001 175892992 /nfs/dbraw/zinc/89/29/92/175892992.db2.gz NCVRFOIWWSWNQK-VXGBXAGGSA-N 1 0 220.316 2.159 10 0 BEAERO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1cccs1 ZINC000019946741 175927419 /nfs/dbraw/zinc/92/74/19/175927419.db2.gz JKOWRQRMFWWSQE-PWSUYJOCSA-N 1 0 236.384 2.493 10 0 BEAERO C[C@@H](O)CC[NH2+][C@H]1CCc2c1cccc2F ZINC000211131833 175960817 /nfs/dbraw/zinc/96/08/17/175960817.db2.gz WWCIGOCMFGSMSY-RNCFNFMXSA-N 1 0 223.291 2.174 10 0 BEAERO C[C@@H](OC[C@H]1CC[NH2+]C1)c1cccs1 ZINC000095068539 176003109 /nfs/dbraw/zinc/00/31/09/176003109.db2.gz NWCRSJZHLGRVBF-ZJUUUORDSA-N 1 0 211.330 2.435 10 0 BEAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000104136973 176018069 /nfs/dbraw/zinc/01/80/69/176018069.db2.gz IPDIIXLJKJMVNY-LBPRGKRZSA-N 1 0 247.386 2.356 10 0 BEAERO C[C@@H](c1ccccc1)[C@H](CN)[NH+]1CCCC1 ZINC000040216770 176023273 /nfs/dbraw/zinc/02/32/73/176023273.db2.gz FBKDBTRGXLWNHD-JSGCOSHPSA-N 1 0 218.344 2.213 10 0 BEAERO C[C@@H](c1ccccn1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068204 176026675 /nfs/dbraw/zinc/02/66/75/176026675.db2.gz CWLSWRDMSDFMJF-STQMWFEESA-N 1 0 233.359 2.217 10 0 BEAERO C[C@@H](c1ccco1)[N@@H+]1CCCC[C@@H]1CO ZINC000095089115 176033311 /nfs/dbraw/zinc/03/33/11/176033311.db2.gz KNVFRZBZYOLLJH-WDEREUQCSA-N 1 0 209.289 2.187 10 0 BEAERO C[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]1CO ZINC000074147800 176033719 /nfs/dbraw/zinc/03/37/19/176033719.db2.gz FOSBXQVJASKAAC-VHSXEESVSA-N 1 0 211.330 2.266 10 0 BEAERO C[C@@H](c1nccs1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000086701690 176038879 /nfs/dbraw/zinc/03/88/79/176038879.db2.gz YXWZABUMFGYPHJ-JTQLQIEISA-N 1 0 239.388 2.136 10 0 BEAERO C[C@@H]1CCCCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055121977 176067242 /nfs/dbraw/zinc/06/72/42/176067242.db2.gz CMZKOFNNCLSLPU-UPJWGTAASA-N 1 0 238.375 2.295 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CCCNCC(F)(F)F ZINC000020047769 176071938 /nfs/dbraw/zinc/07/19/38/176071938.db2.gz KWEFWYIMDPASPB-SNVBAGLBSA-N 1 0 238.297 2.403 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037490845 176081816 /nfs/dbraw/zinc/08/18/16/176081816.db2.gz WPWNYIQXBGKSKO-XQHKEYJVSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]1CCCC[C@@H]1OC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062871069 176083052 /nfs/dbraw/zinc/08/30/52/176083052.db2.gz OJZIBZYGQYRKEE-MBNYWOFBSA-N 1 0 239.359 2.498 10 0 BEAERO C[C@@H]1CCCC[C@@]1([NH3+])c1noc(C(F)(F)F)n1 ZINC000036765001 176083519 /nfs/dbraw/zinc/08/35/19/176083519.db2.gz RIATYVIFUOZEIP-MUWHJKNJSA-N 1 0 249.236 2.453 10 0 BEAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C(C)(C)C[NH3+] ZINC000044752261 176085729 /nfs/dbraw/zinc/08/57/29/176085729.db2.gz MFCWJPYFGHLZTP-GHMZBOCLSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946216 176089124 /nfs/dbraw/zinc/08/91/24/176089124.db2.gz DPVIUEUTGXAACA-MRVWCRGKSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055122572 176092320 /nfs/dbraw/zinc/09/23/20/176092320.db2.gz ZROQCTUMKORRPG-UPJWGTAASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2N)C1 ZINC000023071849 176103058 /nfs/dbraw/zinc/10/30/58/176103058.db2.gz IWBFIUDYUWGFOR-FRRDWIJNSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@@H]([NH3+])c1csc(N2CCC[C@@H](C)C2)n1 ZINC000070844447 176104511 /nfs/dbraw/zinc/10/45/11/176104511.db2.gz GBPIFIXGGIISBZ-RKDXNWHRSA-N 1 0 225.361 2.399 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1c(F)cccc1F ZINC000037910455 176109635 /nfs/dbraw/zinc/10/96/35/176109635.db2.gz XAKQWEOZCBGUIV-SKDRFNHKSA-N 1 0 240.297 2.449 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1cccc(F)c1F ZINC000104247802 176109662 /nfs/dbraw/zinc/10/96/62/176109662.db2.gz WGSMHZYVZFTFJO-SKDRFNHKSA-N 1 0 240.297 2.449 10 0 BEAERO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000124195831 176119940 /nfs/dbraw/zinc/11/99/40/176119940.db2.gz DXZPDHYXZIXDHB-JHJVBQTASA-N 1 0 248.374 2.009 10 0 BEAERO C[C@@H]1CCC[C@@H](OC(=O)C2(C)CC[NH2+]CC2)C1 ZINC000062842592 176124949 /nfs/dbraw/zinc/12/49/49/176124949.db2.gz XWGUGRAAGHLSDT-VXGBXAGGSA-N 1 0 239.359 2.498 10 0 BEAERO C[C@@H]1CCC[C@@H](OCc2cc(C[NH3+])no2)C1 ZINC000052631985 176125414 /nfs/dbraw/zinc/12/54/14/176125414.db2.gz BVUWMWPRONQTCB-MWLCHTKSSA-N 1 0 224.304 2.229 10 0 BEAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)OC(C)(C)C)C1 ZINC000041036802 176133908 /nfs/dbraw/zinc/13/39/08/176133908.db2.gz JXVAXIFUJGXWIA-SKDRFNHKSA-N 1 0 213.321 2.236 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)N2CCCCCC2)[C@@H]1[NH3+] ZINC000055122676 176135863 /nfs/dbraw/zinc/13/58/63/176135863.db2.gz BUWICWUMBDGGPM-FRRDWIJNSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)C[NH2+]C2CCCC2)C1 ZINC000037626146 176141435 /nfs/dbraw/zinc/14/14/35/176141435.db2.gz NAYACDWQXOXICJ-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@]([NH2+]Cc2ccccc2)(C(N)=O)C1 ZINC000037941236 176152000 /nfs/dbraw/zinc/15/20/00/176152000.db2.gz XGDBVUADWFMIDR-IUODEOHRSA-N 1 0 246.354 2.210 10 0 BEAERO C[C@@H]1CC[N@@H+](C2(CN)CCSCC2)[C@H](C)C1 ZINC000051730373 176166680 /nfs/dbraw/zinc/16/66/80/176166680.db2.gz WYDSVEPVRYIWOO-VXGBXAGGSA-N 1 0 242.432 2.331 10 0 BEAERO C[C@@H]1C[C@H](C)CC[N@H+](CCC2(O)CC2)C1 ZINC000336561208 176168213 /nfs/dbraw/zinc/16/82/13/176168213.db2.gz CUSRLDYKDPQMFX-VXGBXAGGSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1CCN(Cc2ccccc2F)CC[NH2+]1 ZINC000049661416 176176110 /nfs/dbraw/zinc/17/61/10/176176110.db2.gz KLKNALFALUEODU-LLVKDONJSA-N 1 0 222.307 2.010 10 0 BEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2ccsc2)C1 ZINC000042278867 176180648 /nfs/dbraw/zinc/18/06/48/176180648.db2.gz DLEBKCRWGSRUFA-KOLCDFICSA-N 1 0 210.346 2.090 10 0 BEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000042278837 176181004 /nfs/dbraw/zinc/18/10/04/176181004.db2.gz AHOKSVFUDDRJPY-MFKMUULPSA-N 1 0 222.307 2.167 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(Cl)cn1 ZINC000335656519 176184917 /nfs/dbraw/zinc/18/49/17/176184917.db2.gz KUAHDJSBUVJDLX-SCZZXKLOSA-N 1 0 225.723 2.145 10 0 BEAERO C[C@@H]1CC[C@@]2(CC[N@H+](CC3(O)CCC3)C2)C1 ZINC000336034215 176218593 /nfs/dbraw/zinc/21/85/93/176218593.db2.gz HTKAJSBWXOEPRX-CHWSQXEVSA-N 1 0 223.360 2.414 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)N(C)C2CCCCC2)C[NH2+]1 ZINC000019484070 176218826 /nfs/dbraw/zinc/21/88/26/176218826.db2.gz YLMNBEHFAMEHNG-NEPJUHHUSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)Nc2cccc(F)c2)C[NH2+]1 ZINC000019488803 176221300 /nfs/dbraw/zinc/22/13/00/176221300.db2.gz KLHAKUSKSDAQPK-ZJUUUORDSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@@H]1CC[C@H](C[NH+]2CCC(c3cc[nH]n3)CC2)O1 ZINC000188579650 176224225 /nfs/dbraw/zinc/22/42/25/176224225.db2.gz GMJQRLGZOMEXHW-DGCLKSJQSA-N 1 0 249.358 2.157 10 0 BEAERO C[C@H](CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)C(C)(C)C ZINC000094339677 176247032 /nfs/dbraw/zinc/24/70/32/176247032.db2.gz QSYKXWWMVHIUMH-IJLUTSLNSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1CN(Cc2ccc(F)cc2)C(C)(C)C[NH2+]1 ZINC000062618154 176304635 /nfs/dbraw/zinc/30/46/35/176304635.db2.gz XPIMZQGOPZJFSR-LLVKDONJSA-N 1 0 236.334 2.398 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(c2cc(F)cc(F)c2)C1 ZINC000049665341 176324286 /nfs/dbraw/zinc/32/42/86/176324286.db2.gz GXZOELRITHOUQP-SNVBAGLBSA-N 1 0 240.297 2.401 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(O)c1 ZINC000245958142 176324558 /nfs/dbraw/zinc/32/45/58/176324558.db2.gz UKDKJLAHJWLIGH-OCCSQVGLSA-N 1 0 246.354 2.061 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(F)cc2F)O1 ZINC000036673238 176329053 /nfs/dbraw/zinc/32/90/53/176329053.db2.gz DZZBMQZTFQSKLM-HQJQHLMTSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccccc2F)no1 ZINC000104209430 176329245 /nfs/dbraw/zinc/32/92/45/176329245.db2.gz RZBAHSAOZMYNBS-SCZZXKLOSA-N 1 0 247.273 2.199 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2c(F)cccc2F)O1 ZINC000036673306 176329425 /nfs/dbraw/zinc/32/94/25/176329425.db2.gz FGNSIBYOQDJJOR-GMSGAONNSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2cccc(Cl)c2)O1 ZINC000032012622 176330236 /nfs/dbraw/zinc/33/02/36/176330236.db2.gz NEOAXIQXEJQMLV-LDYMZIIASA-N 1 0 211.692 2.389 10 0 BEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000279947640 176342264 /nfs/dbraw/zinc/34/22/64/176342264.db2.gz BNVWJSUDSJUKMF-DDTOSNHZSA-N 1 0 247.338 2.394 10 0 BEAERO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1COc2ccccc21 ZINC000287455437 176355834 /nfs/dbraw/zinc/35/58/34/176355834.db2.gz LPHCRFXGGHDMPO-YUSALJHKSA-N 1 0 235.352 2.461 10 0 BEAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1COc2ccccc21 ZINC000336769546 176397417 /nfs/dbraw/zinc/39/74/17/176397417.db2.gz VSMOEONOHQICJE-FOGDFJRCSA-N 1 0 203.285 2.366 10 0 BEAERO C[C@@H]1Cc2c([nH+]c3ccccc3c2N)[C@]1(C)O ZINC000013766034 176449786 /nfs/dbraw/zinc/44/97/86/176449786.db2.gz LEKKTQIRJGFRFP-XLKFXECMSA-N 1 0 228.295 2.217 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1C=CCCCCC1 ZINC000339156494 176455331 /nfs/dbraw/zinc/45/53/31/176455331.db2.gz GEFIHEGNURRKDK-AVGNSLFASA-N 1 0 236.359 2.132 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309108457 176474074 /nfs/dbraw/zinc/47/40/74/176474074.db2.gz IXFZPEXJKDAWKA-BQUFFADESA-N 1 0 209.333 2.332 10 0 BEAERO C[C@H](C[NH3+])N(C)c1ccc(F)c(Cl)c1 ZINC000020260812 176660752 /nfs/dbraw/zinc/66/07/52/176660752.db2.gz VWHFNNDCTHHVTE-SSDOTTSWSA-N 1 0 216.687 2.263 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C ZINC000042781132 176742994 /nfs/dbraw/zinc/74/29/94/176742994.db2.gz KSHIMJRNXBSKDS-GRYCIOLGSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@H]([NH3+])Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000054834293 176762391 /nfs/dbraw/zinc/76/23/91/176762391.db2.gz HWDNWHWNAVSSJQ-VIFPVBQESA-N 1 0 231.274 2.172 10 0 BEAERO C[C@H]([NH3+])Cc1cnc(-c2ccsc2)nc1 ZINC000054857901 176762476 /nfs/dbraw/zinc/76/24/76/176762476.db2.gz OYEFJKYXLKLCQP-QMMMGPOBSA-N 1 0 219.313 2.095 10 0 BEAERO C[C@H]([NH3+])Cc1csc(N2CCCCCC2)n1 ZINC000028509786 176762620 /nfs/dbraw/zinc/76/26/20/176762620.db2.gz HBFKETDSMXVFIJ-JTQLQIEISA-N 1 0 239.388 2.413 10 0 BEAERO C[C@H]([NH3+])Cc1cnc(C2CCCCC2)nc1 ZINC000054857687 176762788 /nfs/dbraw/zinc/76/27/88/176762788.db2.gz LXUMSFUFMIQSLN-JTQLQIEISA-N 1 0 219.332 2.414 10 0 BEAERO C[C@H]([NH3+])[C@H](O)c1ccc2ccccc2c1 ZINC000020216781 176770932 /nfs/dbraw/zinc/77/09/32/176770932.db2.gz NFZDODHLNGJCOD-ZANVPECISA-N 1 0 201.269 2.220 10 0 BEAERO C[C@H]([NH3+])c1nc(-c2cccc(F)c2)c[nH]1 ZINC000036872356 176781265 /nfs/dbraw/zinc/78/12/65/176781265.db2.gz XAURDWDQMMXLHY-ZETCQYMHSA-N 1 0 205.236 2.236 10 0 BEAERO C[C@H](CCC[NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000076616847 176812004 /nfs/dbraw/zinc/81/20/04/176812004.db2.gz HPSUEUPZWHKGLK-NEPJUHHUSA-N 1 0 234.343 2.239 10 0 BEAERO C[C@H]([NH2+][C@@H](C)C1(C)CC1)C(=O)N1CCCCC1 ZINC000037784538 176886948 /nfs/dbraw/zinc/88/69/48/176886948.db2.gz LCLXNAVKQRDHMQ-RYUDHWBXSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1cccs1 ZINC000308973503 176903508 /nfs/dbraw/zinc/90/35/08/176903508.db2.gz FXBVJNLCVFOIQR-OUAUKWLOSA-N 1 0 224.373 2.349 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)[C@@H]1CCCO1 ZINC000309531082 176912970 /nfs/dbraw/zinc/91/29/70/176912970.db2.gz DIVSGARZIJVGBW-RNJOBUHISA-N 1 0 227.348 2.101 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccncc1 ZINC000037889178 176919778 /nfs/dbraw/zinc/91/97/78/176919778.db2.gz BYSIZXZXWFNVKT-UBHSHLNASA-N 1 0 234.343 2.426 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000120554346 176929929 /nfs/dbraw/zinc/92/99/29/176929929.db2.gz UFZQRQMMEOMMKC-MJVIPROJSA-N 1 0 242.326 2.326 10 0 BEAERO C[C@H](OC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095068508 177021128 /nfs/dbraw/zinc/02/11/28/177021128.db2.gz OVSGJRFYTFWGPD-WDEREUQCSA-N 1 0 209.289 2.357 10 0 BEAERO C[C@H](OC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000051890566 177021849 /nfs/dbraw/zinc/02/18/49/177021849.db2.gz CRLTUXRZHXWOOZ-RYUDHWBXSA-N 1 0 205.301 2.374 10 0 BEAERO C[C@H]([C@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000022564797 177030653 /nfs/dbraw/zinc/03/06/53/177030653.db2.gz MNFCLYMKKNXXHS-YPMHNXCESA-N 1 0 204.317 2.171 10 0 BEAERO C[C@H](c1ccc(Cl)s1)N1C[C@H]([NH3+])CC1=O ZINC000042593119 177033573 /nfs/dbraw/zinc/03/35/73/177033573.db2.gz NBTWLIRMEMQKKE-RNFRBKRXSA-N 1 0 244.747 2.022 10 0 BEAERO C[C@H](c1cccs1)[N@@H+]1CCC[C@@H](O)C1 ZINC000095089038 177049017 /nfs/dbraw/zinc/04/90/17/177049017.db2.gz JEOARMHSRANYEO-NXEZZACHSA-N 1 0 211.330 2.266 10 0 BEAERO C[C@H](c1nccs1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095068229 177054328 /nfs/dbraw/zinc/05/43/28/177054328.db2.gz PRAXBTLRTGCXAK-GHMZBOCLSA-N 1 0 239.388 2.136 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2C[C@@H](C)CCC2=O)C[C@H](C)O1 ZINC000053925118 177068681 /nfs/dbraw/zinc/06/86/81/177068681.db2.gz OEZTUDVIXGAWGE-WUHRBBMRSA-N 1 0 239.359 2.101 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CCCNCC(F)(F)F ZINC000020047771 177074491 /nfs/dbraw/zinc/07/44/91/177074491.db2.gz KWEFWYIMDPASPB-JTQLQIEISA-N 1 0 238.297 2.403 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CCNCc1ccco1 ZINC000048326821 177074857 /nfs/dbraw/zinc/07/48/57/177074857.db2.gz CBSLLBUIYTZLIE-LBPRGKRZSA-N 1 0 222.332 2.244 10 0 BEAERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cncnc1 ZINC000054768142 177080124 /nfs/dbraw/zinc/08/01/24/177080124.db2.gz NFINGAXLYQYLHF-WCQYABFASA-N 1 0 219.332 2.393 10 0 BEAERO C[C@H]1CCCC[C@@H]1N(C)C(=O)C(C)(C)C[NH3+] ZINC000044752259 177081370 /nfs/dbraw/zinc/08/13/70/177081370.db2.gz MFCWJPYFGHLZTP-QWRGUYRKSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc(=O)cc1 ZINC000061628645 177082919 /nfs/dbraw/zinc/08/29/19/177082919.db2.gz PHLVIEFGIMXFPS-JSGCOSHPSA-N 1 0 234.343 2.017 10 0 BEAERO C[C@H]1CCCC[C@H]1[N@H+](C)C1(CN)CCOCC1 ZINC000042606720 177086644 /nfs/dbraw/zinc/08/66/44/177086644.db2.gz NWYUYCAJYRMMJT-QWHCGFSZSA-N 1 0 240.391 2.005 10 0 BEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037806787 177087079 /nfs/dbraw/zinc/08/70/79/177087079.db2.gz NFYSWXUGOXUMMQ-YNEHKIRRSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042169141 177087154 /nfs/dbraw/zinc/08/71/54/177087154.db2.gz JDUJMMDZTILBMG-RWMBFGLXSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946219 177089269 /nfs/dbraw/zinc/08/92/69/177089269.db2.gz DPVIUEUTGXAACA-IACUBPJLSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@H]1CCCN(c2nc3ccccc3o2)[C@H]1C[NH3+] ZINC000251597011 177104858 /nfs/dbraw/zinc/10/48/58/177104858.db2.gz BNPOBRLEYCJVSA-JQWIXIFHSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@H]1CCC[N@@H+]1CCc1ccccc1O ZINC000029131285 177108861 /nfs/dbraw/zinc/10/88/61/177108861.db2.gz XLLMSPMZEFQVLD-NSHDSACASA-N 1 0 205.301 2.419 10 0 in-vivo BEAERO C[C@H]1CCC[NH2+][C@H]1C(=O)Nc1ccccc1 ZINC000051791924 177112506 /nfs/dbraw/zinc/11/25/06/177112506.db2.gz WOSWUXGBZWFEER-CMPLNLGQSA-N 1 0 218.300 2.013 10 0 BEAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCCCCCC1 ZINC000051792328 177112703 /nfs/dbraw/zinc/11/27/03/177112703.db2.gz HOYDSRBMNGWMGH-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N(C)CC(C)(C)C)[NH2+]1 ZINC000045089374 177112917 /nfs/dbraw/zinc/11/29/17/177112917.db2.gz RCPOBHHSQXJQLY-QWRGUYRKSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)C1 ZINC000037256910 177113453 /nfs/dbraw/zinc/11/34/53/177113453.db2.gz VYJBZROZTXLCBY-VOAKCMCISA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)N2[C@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000034717519 177115636 /nfs/dbraw/zinc/11/56/36/177115636.db2.gz OMAUIJHXPWXTPA-FVCCEPFGSA-N 1 0 238.375 2.164 10 0 BEAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NC1CCCCC1 ZINC000055091749 177120996 /nfs/dbraw/zinc/12/09/96/177120996.db2.gz LYIKEKOASWPGRR-CYZMBNFOSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H]1[C@H]([NH2+]CCCC(=O)N(C)C)CCC[C@@H]1C ZINC000047980035 177123133 /nfs/dbraw/zinc/12/31/33/177123133.db2.gz LLZXTENOGRHDJY-YNEHKIRRSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@H]1CCC[C@@H](c2ncc(C[NH3+])cn2)C1 ZINC000054855305 177123443 /nfs/dbraw/zinc/12/34/43/177123443.db2.gz IRMNLMIQENOPMT-GXSJLCMTSA-N 1 0 205.305 2.229 10 0 BEAERO C[C@H]1CCC[C@@](CO)([NH2+]C2CCCC2)C1 ZINC000038122669 177127292 /nfs/dbraw/zinc/12/72/92/177127292.db2.gz KHQDSOIZTXGAEF-WCQYABFASA-N 1 0 211.349 2.460 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)N2CCC(C)(C)CC2)[NH2+]1 ZINC000061822071 177128892 /nfs/dbraw/zinc/12/88/92/177128892.db2.gz IFAHKTSEIMZUBT-NWDGAFQWSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)Nc2cccc(F)c2)[NH2+]1 ZINC000019431495 177129201 /nfs/dbraw/zinc/12/92/01/177129201.db2.gz AXBDMGYMFZZUTQ-JOYOIKCWSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000125168106 177129940 /nfs/dbraw/zinc/12/99/40/177129940.db2.gz BRGVGINVVDYODH-RYUDHWBXSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@H]1CCC[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC000122012205 177132623 /nfs/dbraw/zinc/13/26/23/177132623.db2.gz WHOPLSKYTZUGNQ-NWDGAFQWSA-N 1 0 236.363 2.121 10 0 BEAERO C[C@H]1CCC[C@H](CNC(=O)Oc2ccccc2)[NH2+]1 ZINC000051573841 177133447 /nfs/dbraw/zinc/13/34/47/177133447.db2.gz QEEDJDOEPIDYOW-NWDGAFQWSA-N 1 0 248.326 2.306 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CCCCC[NH3+] ZINC000019517027 177135199 /nfs/dbraw/zinc/13/51/99/177135199.db2.gz OZNFIYCFIPUQBM-XQQFMLRXSA-N 1 0 240.391 2.446 10 0 BEAERO C[C@H]1CCC[C@H](Oc2ccnc(C[NH3+])c2)C1 ZINC000051542235 177139358 /nfs/dbraw/zinc/13/93/58/177139358.db2.gz LNQBBWZJLDAFQM-JQWIXIFHSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCC[C@]([NH3+])(C(=O)OC(C)(C)C)C1 ZINC000041036801 177143351 /nfs/dbraw/zinc/14/33/51/177143351.db2.gz JXVAXIFUJGXWIA-JOYOIKCWSA-N 1 0 213.321 2.236 10 0 BEAERO C[C@H]1CC[N@H+](CC2CCCC2)[C@@H](CN)C1 ZINC000224844299 177158449 /nfs/dbraw/zinc/15/84/49/177158449.db2.gz FNGZXSRZGZLRFZ-WCQYABFASA-N 1 0 210.365 2.236 10 0 BEAERO C[C@H]1CC[N@H+](CCC2(O)CC2)CC12CCC2 ZINC000336328576 177158642 /nfs/dbraw/zinc/15/86/42/177158642.db2.gz VBHFFYGBGCCNJI-LBPRGKRZSA-N 1 0 223.360 2.414 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN[C@@H](C)CC1 ZINC000044417877 177161571 /nfs/dbraw/zinc/16/15/71/177161571.db2.gz LEYIZWFTLCZGQT-HZSPNIEDSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(Cl)cn1 ZINC000335656520 177175618 /nfs/dbraw/zinc/17/56/18/177175618.db2.gz KUAHDJSBUVJDLX-WCBMZHEXSA-N 1 0 225.723 2.145 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)N(C)c2ccccc2)C[NH2+]1 ZINC000019477493 177180997 /nfs/dbraw/zinc/18/09/97/177180997.db2.gz ISPMTFLXHLFOJB-NWDGAFQWSA-N 1 0 232.327 2.038 10 0 BEAERO C[C@H]1CC[C@H](C(=O)Nc2ccccc2)C[NH2+]1 ZINC000019519366 177197547 /nfs/dbraw/zinc/19/75/47/177197547.db2.gz MTOAFWZASMZHRK-QWRGUYRKSA-N 1 0 218.300 2.013 10 0 BEAERO C[C@H]1CCc2nc(C3([NH3+])CC3)sc2C1 ZINC000083345584 177209950 /nfs/dbraw/zinc/20/99/50/177209950.db2.gz ZWCBFTAFUZYUDL-ZETCQYMHSA-N 1 0 208.330 2.216 10 0 BEAERO C[C@H]1CN(C(=O)C2CCCCCCC2)C[C@@H]1[NH3+] ZINC000235650264 177214269 /nfs/dbraw/zinc/21/42/69/177214269.db2.gz YCYWEYJIPLIHPE-AAEUAGOBSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C(C)(C)C ZINC000070076313 177217771 /nfs/dbraw/zinc/21/77/71/177217771.db2.gz WDIXRAPXDIIKIX-UTUOFQBUSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@H]1CN(C)C[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451421 177236271 /nfs/dbraw/zinc/23/62/71/177236271.db2.gz MKAOWBFJHXWFOY-YZQVSVNPSA-N 1 0 248.414 2.351 10 0 BEAERO C[C@@H]1CO[C@@H](C)CN1C1(C[NH3+])CCCCCC1 ZINC000035783560 177240228 /nfs/dbraw/zinc/24/02/28/177240228.db2.gz WCTJIZGYDDJKOW-OLZOCXBDSA-N 1 0 240.391 2.147 10 0 BEAERO C[C@@H]1CN(C2(C[NH3+])CCCCCC2)C[C@H](C)O1 ZINC000019473385 177240838 /nfs/dbraw/zinc/24/08/38/177240838.db2.gz CFXRREOVMREJHO-BETUJISGSA-N 1 0 240.391 2.147 10 0 BEAERO C[C@H]1CN(CCc2ccccc2)C(C)(C)C[NH2+]1 ZINC000062615677 177253669 /nfs/dbraw/zinc/25/36/69/177253669.db2.gz RPZKJNIIIBIJKS-ZDUSSCGKSA-N 1 0 232.371 2.301 10 0 BEAERO C[C@@H]([C@H]([NH3+])c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000036879474 177274168 /nfs/dbraw/zinc/27/41/68/177274168.db2.gz XBQRGVITPWUCOB-XFMPKHEZSA-N 1 0 248.370 2.184 10 0 BEAERO C[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000019430732 177275048 /nfs/dbraw/zinc/27/50/48/177275048.db2.gz STCRXWMGPHTPHX-MQYQWHSLSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@@H]1CN([C@@]2(C[NH3+])CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515830 177275202 /nfs/dbraw/zinc/27/52/02/177275202.db2.gz YYTZQACFASOKKM-IGQOVBAYSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1 ZINC000083550726 177280377 /nfs/dbraw/zinc/28/03/77/177280377.db2.gz WHGZXGFIICZOAB-SWLSCSKDSA-N 1 0 248.345 2.494 10 0 BEAERO C[C@H]1C[NH2+]CCCN(Cc2cccc(F)c2)C1 ZINC000049665718 177281898 /nfs/dbraw/zinc/28/18/98/177281898.db2.gz NVQNKLBIYKTEBS-LBPRGKRZSA-N 1 0 236.334 2.257 10 0 BEAERO C[C@@H](C1CCCCC1)[N@@H+]1CCNC[C@H](C)C1 ZINC000052342398 177282414 /nfs/dbraw/zinc/28/24/14/177282414.db2.gz MOZZXBKVXPJEJS-STQMWFEESA-N 1 0 224.392 2.497 10 0 BEAERO C[C@H]1CNc2ccc(Br)cc2C[NH2+]1 ZINC000062620275 177287344 /nfs/dbraw/zinc/28/73/44/177287344.db2.gz WLVNAYLOTYBKJL-ZETCQYMHSA-N 1 0 241.132 2.353 10 0 BEAERO C[C@H]1COC[C@@H](CCc2cccc(F)c2)[NH2+]1 ZINC000071525005 177298894 /nfs/dbraw/zinc/29/88/94/177298894.db2.gz YJCLAYFHACVXAX-GXFFZTMASA-N 1 0 223.291 2.135 10 0 BEAERO C[C@H](NC1=[NH+][C@@H](C)CS1)c1ccco1 ZINC000035739651 177303412 /nfs/dbraw/zinc/30/34/12/177303412.db2.gz PMNILDFQAOZPHW-YUMQZZPRSA-N 1 0 210.302 2.422 10 0 BEAERO C[C@H](NC1=[NH+][C@@H](C)CS1)c1ccncc1 ZINC000035694040 177303493 /nfs/dbraw/zinc/30/34/93/177303493.db2.gz ICTQUUFKUWJGBW-IUCAKERBSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCC(N)=S)C1 ZINC000019442275 177312913 /nfs/dbraw/zinc/31/29/13/177312913.db2.gz QQNXLOYDXILVCJ-AOOOYVTPSA-N 1 0 214.378 2.031 10 0 BEAERO C[C@@H]1CC[C@H](N)[C@H]([N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000036879134 177315139 /nfs/dbraw/zinc/31/51/39/177315139.db2.gz HOXKCOLCQWODKO-PEBLQZBPSA-N 1 0 224.392 2.480 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1cc(F)c(F)cc1F ZINC000061094254 177326682 /nfs/dbraw/zinc/32/66/82/177326682.db2.gz NJNQXPRGVVMTRZ-YUMQZZPRSA-N 1 0 244.260 2.420 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000052274753 177349758 /nfs/dbraw/zinc/34/97/58/177349758.db2.gz OAUUHIYPGBQYHF-ONGXEEELSA-N 1 0 207.321 2.136 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160573996 177350284 /nfs/dbraw/zinc/35/02/84/177350284.db2.gz QPOJDJFRQPEENE-XVKPBYJWSA-N 1 0 241.132 2.342 10 0 BEAERO C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCCC2)o1 ZINC000019260879 177351187 /nfs/dbraw/zinc/35/11/87/177351187.db2.gz DVIHAEYSQGMIII-SDDRHHMPSA-N 1 0 234.343 2.499 10 0 BEAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCN(C)C2)o1 ZINC000042543987 177351193 /nfs/dbraw/zinc/35/11/93/177351193.db2.gz GGTYLLIEZDTAMZ-LOWVWBTDSA-N 1 0 234.343 2.197 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]CC2=CCCOC2)C[C@H](C)O1 ZINC000341473552 177362273 /nfs/dbraw/zinc/36/22/73/177362273.db2.gz VYUOMRSUVGVFFD-DABQJJPHSA-N 1 0 239.359 2.126 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCSC2)C[C@H](C)O1 ZINC000309114334 177362919 /nfs/dbraw/zinc/36/29/19/177362919.db2.gz KUCGIBQQHJACHY-USZNOCQGSA-N 1 0 229.389 2.285 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCOC2(C)C)C[C@H](C)O1 ZINC000340380045 177363193 /nfs/dbraw/zinc/36/31/93/177363193.db2.gz CXIGYBZEYBUURH-RNJOBUHISA-N 1 0 241.375 2.347 10 0 BEAERO C[C@H]1C[C@H]1CN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000104416671 177378581 /nfs/dbraw/zinc/37/85/81/177378581.db2.gz AIIJLIARUHMICC-JQWIXIFHSA-N 1 0 247.342 2.265 10 0 BEAERO C[C@H]1C[C@H]1C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000336750960 177382118 /nfs/dbraw/zinc/38/21/18/177382118.db2.gz GCQJJHOHYDTQGA-WGBDABJCSA-N 1 0 211.349 2.436 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@@H]1C ZINC000228195767 177386220 /nfs/dbraw/zinc/38/62/20/177386220.db2.gz RUJRMPNSEPZXNI-OPQQBVKSSA-N 1 0 205.301 2.321 10 0 BEAERO C[C@H]1Cc2cc([C@@H]([NH3+])[C@@H]3CCCO3)ccc2O1 ZINC000037175966 177388677 /nfs/dbraw/zinc/38/86/77/177388677.db2.gz IPKOQYOWMUPEAF-QCZZGDTMSA-N 1 0 233.311 2.189 10 0 BEAERO C[C@H]1Cc2cc([C@H]([NH3+])[C@@H]3CCCO3)ccc2O1 ZINC000037175962 177389129 /nfs/dbraw/zinc/38/91/29/177389129.db2.gz IPKOQYOWMUPEAF-HERUPUMHSA-N 1 0 233.311 2.189 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000293751165 177408025 /nfs/dbraw/zinc/40/80/25/177408025.db2.gz RJERTUFJQBPRMB-HONMWMINSA-N 1 0 217.312 2.441 10 0 BEAERO C[C@](O)(c1cc(F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000071550455 177452159 /nfs/dbraw/zinc/45/21/59/177452159.db2.gz OEPBZHXTOLQBIH-NOZJJQNGSA-N 1 0 241.281 2.172 10 0 BEAERO Cc1c(N)cccc1NCC(C)(C)[NH+](C)C ZINC000062725133 177614073 /nfs/dbraw/zinc/61/40/73/177614073.db2.gz INKQBXOYJOTLRZ-UHFFFAOYSA-N 1 0 221.348 2.329 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc(C)n1C ZINC000568273314 322932870 /nfs/dbraw/zinc/93/28/70/322932870.db2.gz QSHGXNQSTBNIQQ-JQWIXIFHSA-N 1 0 207.321 2.007 10 0 BEAERO Cc1csc([C@H](C)N[C@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000400561887 226346397 /nfs/dbraw/zinc/34/63/97/226346397.db2.gz HYNXUHWOZDECCA-OUAUKWLOSA-N 1 0 239.388 2.100 10 0 BEAERO CC[C@@H]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000228491536 487662212 /nfs/dbraw/zinc/66/22/12/487662212.db2.gz WOQIFUMCLMMOFU-JHJVBQTASA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@H](C)C[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000228491975 487662089 /nfs/dbraw/zinc/66/20/89/487662089.db2.gz KUXSXQXYPMRXIU-SDDRHHMPSA-N 1 0 228.380 2.301 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)CCCC[NH3+] ZINC000070203417 487668172 /nfs/dbraw/zinc/66/81/72/487668172.db2.gz KJWUCRIMDVMEQO-LBPRGKRZSA-N 1 0 234.343 2.301 10 0 BEAERO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000400619288 229151902 /nfs/dbraw/zinc/15/19/02/229151902.db2.gz JEAMNIWRQNKVPL-SRVKXCTJSA-N 1 0 222.332 2.379 10 0 BEAERO Cc1cc2ccccc2nc1NC[C@H](C)[NH3+] ZINC000082575235 487677603 /nfs/dbraw/zinc/67/76/03/487677603.db2.gz YGDZIBOBFBYDPT-JTQLQIEISA-N 1 0 215.300 2.302 10 0 BEAERO CC[C@@H](C)CC[NH2+]Cc1cnn(C)c1C ZINC000394428256 487684583 /nfs/dbraw/zinc/68/45/83/487684583.db2.gz SFOBSSIKWLIVIL-SNVBAGLBSA-N 1 0 209.337 2.254 10 0 BEAERO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)o1 ZINC000396663480 262817301 /nfs/dbraw/zinc/81/73/01/262817301.db2.gz OMNGLZGGGDOHNP-SDDRHHMPSA-N 1 0 222.332 2.379 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)s1 ZINC000226272493 487699578 /nfs/dbraw/zinc/69/95/78/487699578.db2.gz BBTXPKPFUISQPG-OPRDCNLKSA-N 1 0 226.345 2.016 10 0 BEAERO C[C@@H]1[C@H]([NH3+])CCN1CC(C)(C)c1ccccc1 ZINC000666720034 487707504 /nfs/dbraw/zinc/70/75/04/487707504.db2.gz IKBJMUDAGLBFNW-TZMCWYRMSA-N 1 0 232.371 2.386 10 0 BEAERO CCCCN(CC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290014 487708653 /nfs/dbraw/zinc/70/86/53/487708653.db2.gz FZOJUBNWASHBPB-GFCCVEGCSA-N 1 0 226.364 2.025 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ncnn1C(C)C ZINC000233307511 487708662 /nfs/dbraw/zinc/70/86/62/487708662.db2.gz NKUSAKOAJWXHMQ-GHMZBOCLSA-N 1 0 222.336 2.137 10 0 BEAERO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226290611 487708825 /nfs/dbraw/zinc/70/88/25/487708825.db2.gz VISMCCVEFLSJST-IJLUTSLNSA-N 1 0 211.349 2.268 10 0 BEAERO CC(C)(C)[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226290616 487709109 /nfs/dbraw/zinc/70/91/09/487709109.db2.gz VISMCCVEFLSJST-QJPTWQEYSA-N 1 0 211.349 2.268 10 0 BEAERO CC[C@@H](C)C[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000088300155 487719668 /nfs/dbraw/zinc/71/96/68/487719668.db2.gz STCUAUOYIQIBRQ-IALDZJHCSA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@]1(C)CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000399351682 487744992 /nfs/dbraw/zinc/74/49/92/487744992.db2.gz MISDEYXUVROTCY-DGCLKSJQSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H]1CN(c2nccc3occc32)CC[C@@H]1[NH3+] ZINC000233955652 487754546 /nfs/dbraw/zinc/75/45/46/487754546.db2.gz OXZXXMLXPKXHLE-PWSUYJOCSA-N 1 0 245.326 2.391 10 0 BEAERO Cc1cc(C[NH2+][C@@H](CO)C2CCC2)cc(C)c1O ZINC000668456746 487780514 /nfs/dbraw/zinc/78/05/14/487780514.db2.gz LJYCRTQKWYOXDS-AWEZNQCLSA-N 1 0 249.354 2.260 10 0 BEAERO C[C@@H]1CCSCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000385403753 487785424 /nfs/dbraw/zinc/78/54/24/487785424.db2.gz OJWFUNCPPUXJPP-UPJWGTAASA-N 1 0 243.416 2.365 10 0 BEAERO CC[C@@H]1CN(c2nc3ccccc3o2)CC[C@H]1[NH3+] ZINC000251922145 487807826 /nfs/dbraw/zinc/80/78/26/487807826.db2.gz YOPVQPKSZDFJPS-GHMZBOCLSA-N 1 0 245.326 2.391 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1CCCCC1 ZINC000089450484 487817504 /nfs/dbraw/zinc/81/75/04/487817504.db2.gz XEUOYCVBYPLPRL-OLZOCXBDSA-N 1 0 238.375 2.058 10 0 BEAERO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089448558 487818395 /nfs/dbraw/zinc/81/83/95/487818395.db2.gz QEKSSYVJXBGHJP-AAEUAGOBSA-N 1 0 232.327 2.024 10 0 BEAERO CC(C)CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000089456576 487819806 /nfs/dbraw/zinc/81/98/06/487819806.db2.gz WIYYTJJLYKAKPV-QWHCGFSZSA-N 1 0 240.391 2.254 10 0 BEAERO Clc1cccnc1NC[C@H]1CCCC[NH2+]1 ZINC000044493296 487820279 /nfs/dbraw/zinc/82/02/79/487820279.db2.gz CJSUJFMPOYILHB-SECBINFHSA-N 1 0 225.723 2.289 10 0 BEAERO CC1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000089462717 487822387 /nfs/dbraw/zinc/82/23/87/487822387.db2.gz VUCGABPLIGIIGT-NEPJUHHUSA-N 1 0 238.375 2.058 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089462507 487822509 /nfs/dbraw/zinc/82/25/09/487822509.db2.gz QBHYBSBPNLQFCQ-JHJVBQTASA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000252206465 487822367 /nfs/dbraw/zinc/82/23/67/487822367.db2.gz VFPABHLDPYRZSS-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089462783 487823239 /nfs/dbraw/zinc/82/32/39/487823239.db2.gz WQVMIHUDYOMBDN-UBHSHLNASA-N 1 0 246.354 2.239 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1C(=O)C[C@@H]([NH3+])C(C)C ZINC000224190072 487825811 /nfs/dbraw/zinc/82/58/11/487825811.db2.gz JFZFSGPCQKZXIJ-QJPTWQEYSA-N 1 0 226.364 2.149 10 0 BEAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089482537 487825835 /nfs/dbraw/zinc/82/58/35/487825835.db2.gz SEGNOCDIAXZIAC-YVECIDJPSA-N 1 0 238.375 2.008 10 0 BEAERO Fc1cccnc1NCCC1CC[NH2+]CC1 ZINC000212568554 487848194 /nfs/dbraw/zinc/84/81/94/487848194.db2.gz QVPWQISUDIGBPN-UHFFFAOYSA-N 1 0 223.295 2.022 10 0 BEAERO Cc1nc([C@@H](C)[NH2+]CC2CC(O)C2)c(C)s1 ZINC000084446391 322960657 /nfs/dbraw/zinc/96/06/57/322960657.db2.gz IPBTYFSKKZEBQS-CAZGOSDBSA-N 1 0 240.372 2.181 10 0 BEAERO C[C@@H]([NH3+])CCc1nc(-c2ccc(F)cc2)no1 ZINC000109502490 487871921 /nfs/dbraw/zinc/87/19/21/487871921.db2.gz XCEBMSCNAGXEQP-MRVPVSSYSA-N 1 0 235.262 2.156 10 0 BEAERO CCC(C)(CC)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227428201 487879463 /nfs/dbraw/zinc/87/94/63/487879463.db2.gz FXESETTUWKKYDD-MNOVXSKESA-N 1 0 226.364 2.056 10 0 BEAERO Cc1ccc2oc(CN[C@@H]3CC[NH2+]C3)cc2c1 ZINC000666816404 487885660 /nfs/dbraw/zinc/88/56/60/487885660.db2.gz UAKZFTXLQRVHMX-GFCCVEGCSA-N 1 0 230.311 2.193 10 0 BEAERO CCc1cccc(OCC[NH2+][C@@H](C)COC)c1 ZINC000049799919 487904491 /nfs/dbraw/zinc/90/44/91/487904491.db2.gz WRGRLBXSWOKEAU-LBPRGKRZSA-N 1 0 237.343 2.252 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226749544 487920856 /nfs/dbraw/zinc/92/08/56/487920856.db2.gz IAHFZJJGSDGHPF-SDDRHHMPSA-N 1 0 226.364 2.151 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CC1=CCCCC1 ZINC000229587658 487927726 /nfs/dbraw/zinc/92/77/26/487927726.db2.gz RPQUYJXHFYRGFP-WCQYABFASA-N 1 0 236.359 2.134 10 0 BEAERO CC(C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090796 487934815 /nfs/dbraw/zinc/93/48/15/487934815.db2.gz BHZIZESWGFWZQV-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229665045 487935396 /nfs/dbraw/zinc/93/53/96/487935396.db2.gz ACOFQETUSDSVSA-GWCFXTLKSA-N 1 0 230.311 2.435 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000211764775 487939190 /nfs/dbraw/zinc/93/91/90/487939190.db2.gz XZLQBNJNCYYLHB-AAEUAGOBSA-N 1 0 240.391 2.460 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)OC(C)(C)C ZINC000246953285 323011606 /nfs/dbraw/zinc/01/16/06/323011606.db2.gz DFGMFRKSFIJVLX-MNOVXSKESA-N 1 0 240.347 2.090 10 0 BEAERO CC1CC(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000570037013 323047880 /nfs/dbraw/zinc/04/78/80/323047880.db2.gz FLGUFHDJVXMVJW-GDKBPFBDSA-N 1 0 238.375 2.056 10 0 BEAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2)C1 ZINC000048769035 323154898 /nfs/dbraw/zinc/15/48/98/323154898.db2.gz KDGMEGSRTGYEIQ-ZDUSSCGKSA-N 1 0 247.342 2.292 10 0 BEAERO Clc1ccsc1CNC[C@H]1CC[NH2+]C1 ZINC000398383688 323185475 /nfs/dbraw/zinc/18/54/75/323185475.db2.gz ICRPJPBLCKTCMV-QMMMGPOBSA-N 1 0 230.764 2.101 10 0 BEAERO [NH3+][C@@H](CF)c1ccccc1Br ZINC000211414312 323195172 /nfs/dbraw/zinc/19/51/72/323195172.db2.gz HSWJPZQAKSROMN-QMMMGPOBSA-N 1 0 218.069 2.418 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(F)c1 ZINC000399300861 323202929 /nfs/dbraw/zinc/20/29/29/323202929.db2.gz XFNYFWNKFMWGNQ-GXFFZTMASA-N 1 0 223.291 2.171 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000309075752 323225530 /nfs/dbraw/zinc/22/55/30/323225530.db2.gz KGTYLKVJDVWVFY-NWDGAFQWSA-N 1 0 211.349 2.437 10 0 BEAERO CCC[C@H](C(=O)Nc1ncc(C)s1)[NH+](C)C ZINC000161659925 323555123 /nfs/dbraw/zinc/55/51/23/323555123.db2.gz UWBDTEAMSCZGEL-SECBINFHSA-N 1 0 241.360 2.120 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162542505 323624682 /nfs/dbraw/zinc/62/46/82/323624682.db2.gz OBDLGMSZQUDFGI-IIRVCBMXSA-N 1 0 209.333 2.046 10 0 BEAERO COc1cccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396728747 323656211 /nfs/dbraw/zinc/65/62/11/323656211.db2.gz ZYCYYLCFKYSNOB-YWPYICTPSA-N 1 0 248.370 2.486 10 0 BEAERO Cn1cc([C@H]2[NH2+]CC23CCCCC3)cn1 ZINC000389596936 323949741 /nfs/dbraw/zinc/94/97/41/323949741.db2.gz QEWBBXRRTJLAEG-LLVKDONJSA-N 1 0 205.305 2.015 10 0 BEAERO Oc1ccccc1[C@@H]1C[NH2+]CC12CCC2 ZINC000536950535 323954420 /nfs/dbraw/zinc/95/44/20/323954420.db2.gz PINXMZDRIKYQRD-NSHDSACASA-N 1 0 203.285 2.249 10 0 BEAERO CCC[C@@H]1C[NH2+]C[C@H]1c1ccn(CC)n1 ZINC000536951755 323957546 /nfs/dbraw/zinc/95/75/46/323957546.db2.gz VPTQWJKAWPOSTK-GHMZBOCLSA-N 1 0 207.321 2.006 10 0 BEAERO CC[C@H]1C[NH2+]C[C@@H]1c1ccccc1OC ZINC000536952110 323958069 /nfs/dbraw/zinc/95/80/69/323958069.db2.gz APVUPRFHLYVFIU-JQWIXIFHSA-N 1 0 205.301 2.408 10 0 BEAERO CC(C)Oc1ccn(-c2cc[nH+]cc2)n1 ZINC000536954419 323962723 /nfs/dbraw/zinc/96/27/23/323962723.db2.gz MZPIBXFQHDCMSC-UHFFFAOYSA-N 1 0 203.245 2.055 10 0 BEAERO CC(C)Cn1ccc([C@H]2[NH2+]C[C@@]23CCOC3)c1 ZINC000536961362 323974903 /nfs/dbraw/zinc/97/49/03/323974903.db2.gz ZOZMXYBQIFZRHL-ZIAGYGMSSA-N 1 0 234.343 2.195 10 0 BEAERO CCOC[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122579788 324049696 /nfs/dbraw/zinc/04/96/96/324049696.db2.gz PCSAETZKFMTBEG-JHJVBQTASA-N 1 0 229.364 2.062 10 0 BEAERO COC[C@@H](C)C[NH2+]C[C@@H](OC)c1ccccc1 ZINC000123116761 324082564 /nfs/dbraw/zinc/08/25/64/324082564.db2.gz GUODHJPUVGVKET-GXTWGEPZSA-N 1 0 237.343 2.246 10 0 BEAERO OC1CC(C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000162968227 324179688 /nfs/dbraw/zinc/17/96/88/324179688.db2.gz UDHFDUSNBOSIFU-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO CCC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)OCC ZINC000530236906 324552529 /nfs/dbraw/zinc/55/25/29/324552529.db2.gz ZPSXQKJEYOJXIZ-YNEHKIRRSA-N 1 0 229.364 2.085 10 0 BEAERO CC[C@H]([NH2+]CCCn1ccnn1)c1ccccc1 ZINC000125603041 324645315 /nfs/dbraw/zinc/64/53/15/324645315.db2.gz ARWJKUKZVMXHJN-AWEZNQCLSA-N 1 0 244.342 2.409 10 0 BEAERO CCCC[C@@H](CC)CC[NH2+][C@H](C)CC(N)=O ZINC000128744657 324879604 /nfs/dbraw/zinc/87/96/04/324879604.db2.gz CMGNCYCEACSDQC-VXGBXAGGSA-N 1 0 228.380 2.446 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229665021 324971693 /nfs/dbraw/zinc/97/16/93/324971693.db2.gz ODMVXTCDHWTLFC-MFKMUULPSA-N 1 0 230.311 2.435 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]CC2(O)CCC2)CC1 ZINC000131122110 325119555 /nfs/dbraw/zinc/11/95/55/325119555.db2.gz GGZVMXMHNQUMSP-RYUDHWBXSA-N 1 0 211.349 2.460 10 0 BEAERO COC[C@H](C)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000131898141 325190222 /nfs/dbraw/zinc/19/02/22/325190222.db2.gz WWFKMZCGBWAISH-SNVBAGLBSA-N 1 0 243.297 2.379 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000133068096 325264555 /nfs/dbraw/zinc/26/45/55/325264555.db2.gz BYDCILIPQINVBB-UONOGXRCSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000133068337 325264642 /nfs/dbraw/zinc/26/46/42/325264642.db2.gz BYDCILIPQINVBB-ZIAGYGMSSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1nn(C)cc1C[NH2+][C@H](C)C(C)(C)C ZINC000133675797 325308231 /nfs/dbraw/zinc/30/82/31/325308231.db2.gz HXFRTZHURXSLSA-SNVBAGLBSA-N 1 0 209.337 2.253 10 0 BEAERO CC(C)[C@H](C)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000134116364 325344265 /nfs/dbraw/zinc/34/42/65/325344265.db2.gz SQRZWHLZUREQIZ-AGIUHOORSA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)c1cnc(C[NH2+]CC[C@@H](C)O)s1 ZINC000134849827 325379347 /nfs/dbraw/zinc/37/93/47/325379347.db2.gz IJDVUORGNOQMCT-SECBINFHSA-N 1 0 228.361 2.127 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000134980373 325386291 /nfs/dbraw/zinc/38/62/91/325386291.db2.gz UHKNTOSVTQQDNW-RYUDHWBXSA-N 1 0 244.338 2.341 10 0 BEAERO CCCC[C@@H](CC)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079519502 325457976 /nfs/dbraw/zinc/45/79/76/325457976.db2.gz GUDZXAOOCIRBHZ-TZMCWYRMSA-N 1 0 240.391 2.461 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(F)cc1F ZINC000091524752 325687310 /nfs/dbraw/zinc/68/73/10/325687310.db2.gz YZDCLFXIGNZUSV-FKTRJACZSA-N 1 0 241.281 2.386 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000165542408 326424016 /nfs/dbraw/zinc/42/40/16/326424016.db2.gz QOGFWWANQHJVHJ-CYZMBNFOSA-N 1 0 211.349 2.436 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncnc2ccsc21 ZINC000165745803 326426029 /nfs/dbraw/zinc/42/60/29/326426029.db2.gz AMZKFEBRRFHONL-HTQZYQBOSA-N 1 0 236.344 2.229 10 0 BEAERO CC(C)c1cc(N[C@H](C)C[C@H](C)[NH3+])ncn1 ZINC000165752627 326426236 /nfs/dbraw/zinc/42/62/36/326426236.db2.gz ZYFWVGVXGFVASC-VHSXEESVSA-N 1 0 222.336 2.138 10 0 BEAERO CCO[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000310126762 488017946 /nfs/dbraw/zinc/01/79/46/488017946.db2.gz JJZKLOKCMDKTHA-MELADBBJSA-N 1 0 241.375 2.038 10 0 BEAERO OC(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)(C1CC1)C1CC1 ZINC000668619833 488020212 /nfs/dbraw/zinc/02/02/12/488020212.db2.gz RVXQKYFVLBOUKF-ZLKJLUDKSA-N 1 0 235.371 2.316 10 0 BEAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C[C@@H]1CCCCO1 ZINC000310504940 488035250 /nfs/dbraw/zinc/03/52/50/488035250.db2.gz KGIDHJRAGNWXMJ-MCIONIFRSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000052274185 488037126 /nfs/dbraw/zinc/03/71/26/488037126.db2.gz ZADJBNZBQUEWMS-TVQRCGJNSA-N 1 0 213.284 2.128 10 0 BEAERO Cc1ccccc1CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000037169653 488042059 /nfs/dbraw/zinc/04/20/59/488042059.db2.gz ZHNFLEHUWMUOJU-LLVKDONJSA-N 1 0 246.276 2.316 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000084308441 488042226 /nfs/dbraw/zinc/04/22/26/488042226.db2.gz HKGLKKYCQSVKGV-CMPLNLGQSA-N 1 0 218.300 2.000 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308733 488043162 /nfs/dbraw/zinc/04/31/62/488043162.db2.gz NYFYRAOVSASXKH-NEPJUHHUSA-N 1 0 226.364 2.010 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309295 488043178 /nfs/dbraw/zinc/04/31/78/488043178.db2.gz TXNYAAVGNRLFQG-TUAOUCFPSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309287 488043283 /nfs/dbraw/zinc/04/32/83/488043283.db2.gz TXNYAAVGNRLFQG-QJPTWQEYSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]CC2CC(O)C2)CC1 ZINC000084446552 488052345 /nfs/dbraw/zinc/05/23/45/488052345.db2.gz PSZYFILGVOTIIW-QCXCNERSSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]1C[N@H+](Cc2cccc(F)c2N)CCS1 ZINC000123517623 488074282 /nfs/dbraw/zinc/07/42/82/488074282.db2.gz ZWBQVSTXQBGTKG-VIFPVBQESA-N 1 0 240.347 2.345 10 0 BEAERO CC[C@H]1CC[C@@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000136125452 488082223 /nfs/dbraw/zinc/08/22/23/488082223.db2.gz UWFSZEXFNFPPEI-XVSSEFHLSA-N 1 0 238.375 2.293 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1 ZINC000136291601 488092890 /nfs/dbraw/zinc/09/28/90/488092890.db2.gz WEPIKOLEIQQTDL-YPMHNXCESA-N 1 0 234.343 2.237 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1c2ccccc2C[C@H]1C ZINC000136300378 488092913 /nfs/dbraw/zinc/09/29/13/488092913.db2.gz LPLVJXFOQJOLSP-DGCLKSJQSA-N 1 0 246.354 2.338 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(F)c(F)c1 ZINC000136301032 488092965 /nfs/dbraw/zinc/09/29/65/488092965.db2.gz ICDMBSSGKKNIES-LLVKDONJSA-N 1 0 242.269 2.277 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(F)c(F)c1 ZINC000136301081 488093040 /nfs/dbraw/zinc/09/30/40/488093040.db2.gz ICDMBSSGKKNIES-NSHDSACASA-N 1 0 242.269 2.277 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000228479023 488096937 /nfs/dbraw/zinc/09/69/37/488096937.db2.gz JYXZLQUEMPXAQJ-TUAOUCFPSA-N 1 0 226.364 2.055 10 0 BEAERO [NH3+]Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000667727183 488102738 /nfs/dbraw/zinc/10/27/38/488102738.db2.gz YSPDCRIXOLWVOK-AAEUAGOBSA-N 1 0 245.326 2.162 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378779874 488104765 /nfs/dbraw/zinc/10/47/65/488104765.db2.gz JBARBAHDRQGLQC-QCNOEVLYSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092955990 488105027 /nfs/dbraw/zinc/10/50/27/488105027.db2.gz FVTHCSCEJCJKPT-MBNYWOFBSA-N 1 0 246.354 2.170 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092955992 488105066 /nfs/dbraw/zinc/10/50/66/488105066.db2.gz FVTHCSCEJCJKPT-DYEKYZERSA-N 1 0 246.354 2.170 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378779886 488105486 /nfs/dbraw/zinc/10/54/86/488105486.db2.gz JBARBAHDRQGLQC-WHOHXGKFSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000389732562 488109693 /nfs/dbraw/zinc/10/96/93/488109693.db2.gz STVDOKMFVAJMDO-NTZNESFSSA-N 1 0 211.349 2.268 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[C@H]1C ZINC000252086117 487536531 /nfs/dbraw/zinc/53/65/31/487536531.db2.gz CVOOTUVLCPUKGZ-FRRDWIJNSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccn1 ZINC000234022143 488128717 /nfs/dbraw/zinc/12/87/17/488128717.db2.gz CTBLZQWEDDZRML-OIBJUYFYSA-N 1 0 241.722 2.047 10 0 BEAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403626932 488128873 /nfs/dbraw/zinc/12/88/73/488128873.db2.gz MBWGWQBJLILPAD-RFQIPJPRSA-N 1 0 223.360 2.127 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382341782 487539843 /nfs/dbraw/zinc/53/98/43/487539843.db2.gz CKCBVRBLKUKZRD-FHUSYTEZSA-N 1 0 209.333 2.068 10 0 BEAERO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CCCO)o1 ZINC000685562424 487545292 /nfs/dbraw/zinc/54/52/92/487545292.db2.gz FFDSJYYBYXBGTI-GFCCVEGCSA-N 1 0 238.331 2.028 10 0 BEAERO CC(C)C1([NH2+]C[C@H]2CCC[C@H](O)C2)CC1 ZINC000379426556 488135002 /nfs/dbraw/zinc/13/50/02/488135002.db2.gz DEKOZSGXECGICJ-RYUDHWBXSA-N 1 0 211.349 2.316 10 0 BEAERO O[C@@H]1CCC[C@@H](C[NH+]2C3CCC2CC3)C1 ZINC000399336257 487474633 /nfs/dbraw/zinc/47/46/33/487474633.db2.gz RXGSLHGROSBTRU-IKWCTNDRSA-N 1 0 209.333 2.164 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1O ZINC000093654442 487481493 /nfs/dbraw/zinc/48/14/93/487481493.db2.gz QXEHVXRXGSRPBO-WDEREUQCSA-N 1 0 248.326 2.157 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1O ZINC000093655023 487482276 /nfs/dbraw/zinc/48/22/76/487482276.db2.gz HAWNNESDNFLGJC-QWRGUYRKSA-N 1 0 248.326 2.014 10 0 BEAERO CCCC(CCC)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000380561488 487479913 /nfs/dbraw/zinc/47/99/13/487479913.db2.gz MGPGIOPGBUQMEO-CMPLNLGQSA-N 1 0 226.364 2.151 10 0 BEAERO CCN1C[C@H]([NH2+][C@H]2CCC23CCC3)[C@@H](C)C1 ZINC000381706753 487521484 /nfs/dbraw/zinc/52/14/84/487521484.db2.gz JMRVHPFGYYEIFG-AVGNSLFASA-N 1 0 222.376 2.249 10 0 BEAERO CC[N@H+](CC1CC1)C[C@@H]1CCC[C@H](O)C1 ZINC000308816527 487522334 /nfs/dbraw/zinc/52/23/34/487522334.db2.gz BDVXXEKLWSBLIW-OLZOCXBDSA-N 1 0 211.349 2.269 10 0 BEAERO CC[N@H+](CC1CC1)C[C@H]1CCC[C@@H](O)C1 ZINC000308816530 487522634 /nfs/dbraw/zinc/52/26/34/487522634.db2.gz BDVXXEKLWSBLIW-QWHCGFSZSA-N 1 0 211.349 2.269 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667882162 488146949 /nfs/dbraw/zinc/14/69/49/488146949.db2.gz MWLOUZRXJUBOKC-NDBYEHHHSA-N 1 0 209.333 2.332 10 0 BEAERO OCC1CC([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000668780492 487527196 /nfs/dbraw/zinc/52/71/96/487527196.db2.gz QTKSOGTXTYWBCZ-UHFFFAOYSA-N 1 0 239.746 2.243 10 0 BEAERO CC[C@H](C)[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000394461754 487559556 /nfs/dbraw/zinc/55/95/56/487559556.db2.gz VTYIZALLFPSHKM-QJPTWQEYSA-N 1 0 231.380 2.044 10 0 BEAERO CC[C@H](NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C(C)C ZINC000399531279 487746371 /nfs/dbraw/zinc/74/63/71/487746371.db2.gz RYTKCIHRQDZCJW-SDDRHHMPSA-N 1 0 228.380 2.157 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)CCS1 ZINC000379465365 488138225 /nfs/dbraw/zinc/13/82/25/488138225.db2.gz HYFULEFTLFEMAA-FRRDWIJNSA-N 1 0 243.416 2.365 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc(O)c1 ZINC000134056709 488165248 /nfs/dbraw/zinc/16/52/48/488165248.db2.gz MSNYANXPHBVKPX-OPQQBVKSSA-N 1 0 221.300 2.220 10 0 BEAERO CC[C@H]([NH2+]C1CCC(O)CC1)[C@@H]1C[C@H]1C ZINC000322045766 488167465 /nfs/dbraw/zinc/16/74/65/488167465.db2.gz ORRRZJNVQLQWMW-IIBVRRFFSA-N 1 0 211.349 2.314 10 0 BEAERO CC1(C)CC[N@@H+]([C@@H]2CCC[C@H]2O)CCS1 ZINC000231060560 488180544 /nfs/dbraw/zinc/18/05/44/488180544.db2.gz RRSZQQMDQNYOTF-GHMZBOCLSA-N 1 0 229.389 2.117 10 0 BEAERO CC[C@@H](NC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000398040968 488190775 /nfs/dbraw/zinc/19/07/75/488190775.db2.gz QAYMYPXAJVVZNP-GFCCVEGCSA-N 1 0 232.327 2.135 10 0 BEAERO CCOC(=O)[C@@H]1CC[C@H](c2ccccc2C)N1 ZINC000034521772 488198413 /nfs/dbraw/zinc/19/84/13/488198413.db2.gz PZAYTALJRQEWMT-OLZOCXBDSA-N 1 0 233.311 2.351 10 0 BEAERO [NH3+][C@@]12CC[C@@](C(=O)Nc3cccnc3)(C1)CCC2 ZINC000169057922 488198514 /nfs/dbraw/zinc/19/85/14/488198514.db2.gz ZKTONOYYWHRKDB-KGLIPLIRSA-N 1 0 245.326 2.072 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000054073531 488205562 /nfs/dbraw/zinc/20/55/62/488205562.db2.gz YNNZCHADZHXWMJ-NKWVEPMBSA-N 1 0 246.763 2.187 10 0 BEAERO C[C@H](CCC1CC1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398063456 488206095 /nfs/dbraw/zinc/20/60/95/488206095.db2.gz DAUYRSZPVYTTNH-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H](CCC1CC1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000398063453 488206307 /nfs/dbraw/zinc/20/63/07/488206307.db2.gz DAUYRSZPVYTTNH-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085976089 488221786 /nfs/dbraw/zinc/22/17/86/488221786.db2.gz FPKDZJQEJUVNOJ-DGAVXFQQSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCc2ccccc21 ZINC000036878719 488245313 /nfs/dbraw/zinc/24/53/13/488245313.db2.gz JYBKXQFXHNZGLT-LERXQTSPSA-N 1 0 246.354 2.164 10 0 BEAERO CC[C@@H]1C[C@H](C)CN1C(=O)C1CCC([NH3+])CC1 ZINC000399576070 490097478 /nfs/dbraw/zinc/09/74/78/490097478.db2.gz JQGTXCNUUZJNNQ-YWPUVAFDSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@H]1C[C@@H](C)CN1C(=O)C1CCC([NH3+])CC1 ZINC000399576069 490097509 /nfs/dbraw/zinc/09/75/09/490097509.db2.gz JQGTXCNUUZJNNQ-XVSSEFHLSA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)(CO)C[NH2+]Cc1cccc2cnccc21 ZINC000122029603 490119426 /nfs/dbraw/zinc/11/94/26/490119426.db2.gz RYRIYWURUGQMAM-UHFFFAOYSA-N 1 0 244.338 2.343 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000226233390 490124357 /nfs/dbraw/zinc/12/43/57/490124357.db2.gz KIIUQGABGYMPMN-NWANDNLSSA-N 1 0 231.339 2.219 10 0 BEAERO Cc1noc(CC[NH2+][C@@H](C)CC2CCC2)n1 ZINC000129379097 490134454 /nfs/dbraw/zinc/13/44/54/490134454.db2.gz HUUMJKTXPHTPEJ-VIFPVBQESA-N 1 0 223.320 2.089 10 0 BEAERO N[n+]1cccc2c1/C(=C/c1ccccc1)CC2 ZINC000584658696 490179493 /nfs/dbraw/zinc/17/94/93/490179493.db2.gz KKNQSWLUMLEUPQ-SDNWHVSQSA-N 1 0 223.299 2.175 10 0 BEAERO CNc1cc(C)[nH+]c(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000074934150 490309833 /nfs/dbraw/zinc/30/98/33/490309833.db2.gz JNDLNSYUYIZWDP-UWVGGRQHSA-N 1 0 234.347 2.309 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000229930755 490366827 /nfs/dbraw/zinc/36/68/27/490366827.db2.gz SYKDUSMOVPGJQF-NWDGAFQWSA-N 1 0 248.374 2.082 10 0 BEAERO CC(C)(O)C[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000216468609 490395833 /nfs/dbraw/zinc/39/58/33/490395833.db2.gz VXZYBVRRZUPIAV-UHFFFAOYSA-N 1 0 237.387 2.419 10 0 BEAERO O[C@]1(C2CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000126009068 490477916 /nfs/dbraw/zinc/47/79/16/490477916.db2.gz BIQHVYIKHIRAMP-OAHLLOKOSA-N 1 0 231.339 2.424 10 0 BEAERO c1ncc(C[N@@H+]2CCC[C@H]2C2CCC2)cn1 ZINC000127243225 490541875 /nfs/dbraw/zinc/54/18/75/490541875.db2.gz QOCZLBBPMTZDNY-ZDUSSCGKSA-N 1 0 217.316 2.241 10 0 BEAERO Cc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000128023501 490567110 /nfs/dbraw/zinc/56/71/10/490567110.db2.gz IMIONTBNBXLXGC-UKRRQHHQSA-N 1 0 245.370 2.106 10 0 BEAERO c1ncc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cn1 ZINC000131311514 490631866 /nfs/dbraw/zinc/63/18/66/490631866.db2.gz QOXGOFCNUFCHOP-STQMWFEESA-N 1 0 249.383 2.337 10 0 BEAERO CC[NH2+]Cc1cc(N2CCCCC2)ccn1 ZINC000051436100 535478498 /nfs/dbraw/zinc/47/84/98/535478498.db2.gz ZTDRALVLVFBLSM-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO Cc1ccncc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226831142 491051859 /nfs/dbraw/zinc/05/18/59/491051859.db2.gz MRTZNCSTGMNMGI-RYUDHWBXSA-N 1 0 219.332 2.285 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCC1CCC1 ZINC000659362772 491104479 /nfs/dbraw/zinc/10/44/79/491104479.db2.gz WNOYQQVJMSPBDY-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO [NH3+][C@H]1c2cc(Cl)cc(Cl)c2CC[C@@H]1O ZINC000039941472 491110659 /nfs/dbraw/zinc/11/06/59/491110659.db2.gz IKXGQSRJGUAIKS-UWVGGRQHSA-N 1 0 232.110 2.300 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]CCC1CCCCCC1 ZINC000308877106 491126902 /nfs/dbraw/zinc/12/69/02/491126902.db2.gz NYNFSMVNLKKXIX-QWHCGFSZSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@H](CC1CCC1)[NH2+]C1CCC(O)CC1 ZINC000131947602 491134252 /nfs/dbraw/zinc/13/42/52/491134252.db2.gz NZCGCAMBSLWIDS-QFWMXSHPSA-N 1 0 211.349 2.458 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2cccc(C)n2)C1 ZINC000309412595 491148896 /nfs/dbraw/zinc/14/88/96/491148896.db2.gz CATWNURORWCIFD-CMPLNLGQSA-N 1 0 219.332 2.142 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(F)cn1 ZINC000133921382 491161036 /nfs/dbraw/zinc/16/10/36/491161036.db2.gz AMPFXKZQYQEAKI-WCQGTBRESA-N 1 0 238.306 2.175 10 0 BEAERO CC[NH+](CC)C(CC)(CC)C(=O)OC ZINC000095532562 520568063 /nfs/dbraw/zinc/56/80/63/520568063.db2.gz CFTDOHCRFZDLHH-UHFFFAOYSA-N 1 0 201.310 2.060 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757130791 582504792 /nfs/dbraw/zinc/50/47/92/582504792.db2.gz NYYNHKFEJDZOOO-RWMBFGLXSA-N 1 0 210.365 2.391 10 0 BEAERO C[NH2+]Cc1sc([C@@H](O)C(C)(C)C)nc1C ZINC000757135058 582513584 /nfs/dbraw/zinc/51/35/84/582513584.db2.gz ZZIFWVNTSHUJBC-SECBINFHSA-N 1 0 228.361 2.250 10 0 BEAERO CCCC1(CCC)[NH2+]C2(COC2)CCO1 ZINC000757146311 582529718 /nfs/dbraw/zinc/52/97/18/582529718.db2.gz KEXJXUQWRDXQDJ-UHFFFAOYSA-N 1 0 213.321 2.062 10 0 BEAERO CCC[C@@H]1CC[NH2+][C@@]2(CCCSC2)O1 ZINC000757147657 582531382 /nfs/dbraw/zinc/53/13/82/582531382.db2.gz MNMKKRLHHCODJY-MNOVXSKESA-N 1 0 215.362 2.388 10 0 BEAERO Cc1ccc(CN2CC[C@H]2C[NH3+])c(Cl)c1 ZINC000757148019 582532159 /nfs/dbraw/zinc/53/21/59/582532159.db2.gz VSOMDXLNMZEWCG-NSHDSACASA-N 1 0 224.735 2.181 10 0 BEAERO Cc1cc(C[C@@H]2COC[C@H]2[NH3+])ccc1Cl ZINC000757149939 582534014 /nfs/dbraw/zinc/53/40/14/582534014.db2.gz DKUGWEPPRAPGED-ZYHUDNBSSA-N 1 0 225.719 2.165 10 0 BEAERO C[C@@H]1CC(C)(C)O[C@]2(CCCOCC2)[NH2+]1 ZINC000757153399 582537760 /nfs/dbraw/zinc/53/77/60/582537760.db2.gz VCLBKGRCFDYXFJ-PWSUYJOCSA-N 1 0 213.321 2.060 10 0 BEAERO CC(C)[C@H]1[NH2+]C2(CC[NH+](C)CC2)OCC1(C)C ZINC000757153257 582538079 /nfs/dbraw/zinc/53/80/79/582538079.db2.gz ULRFHSUIRGELSL-GFCCVEGCSA-N 1 0 240.391 2.079 10 0 BEAERO CC[NH2+][C@H](CO)CSCc1ccc(Cl)o1 ZINC000757165499 582546480 /nfs/dbraw/zinc/54/64/80/582546480.db2.gz LQTPJNLIXXQIIS-MRVPVSSYSA-N 1 0 249.763 2.137 10 0 BEAERO C[NH2+][C@H](CCO)CSCc1ccc(Cl)o1 ZINC000757169451 582550711 /nfs/dbraw/zinc/55/07/11/582550711.db2.gz ILFTYLJPRQERPG-MRVPVSSYSA-N 1 0 249.763 2.137 10 0 BEAERO CC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000215175053 582688379 /nfs/dbraw/zinc/68/83/79/582688379.db2.gz ZIHVNDAIFFWKRY-ZDUSSCGKSA-N 1 0 203.285 2.356 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)C ZINC000043042703 517770315 /nfs/dbraw/zinc/77/03/15/517770315.db2.gz SYMAJLKDOVAPCB-VXGBXAGGSA-N 1 0 210.296 2.166 10 0 BEAERO CCC[N@@H+]1CC[C@@H](CC(=O)OC)C[C@H]1C ZINC000252474876 519860955 /nfs/dbraw/zinc/86/09/55/519860955.db2.gz NXCIAWKRAIRJEC-GHMZBOCLSA-N 1 0 213.321 2.060 10 0 BEAERO CCCC[C@@H](CC)C(=O)NCCCCC[NH3+] ZINC000070671057 521017677 /nfs/dbraw/zinc/01/76/77/521017677.db2.gz ZVYVWIBWUQJYQV-GFCCVEGCSA-N 1 0 228.380 2.448 10 0 BEAERO CCOC(OCC)[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000057354361 521631992 /nfs/dbraw/zinc/63/19/92/521631992.db2.gz CHYDJGVXJYNWNO-CQSZACIVSA-N 1 0 249.354 2.442 10 0 BEAERO COCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000189232958 521919831 /nfs/dbraw/zinc/91/98/31/521919831.db2.gz WKZRTFVXHLPLOT-XQQFMLRXSA-N 1 0 243.391 2.452 10 0 BEAERO CN1CC[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000238857299 523982364 /nfs/dbraw/zinc/98/23/64/523982364.db2.gz YSPYNRIBDIUMEQ-WDEREUQCSA-N 1 0 210.708 2.044 10 0 BEAERO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C ZINC000306273981 524677358 /nfs/dbraw/zinc/67/73/58/524677358.db2.gz JRWSHTPBPKDBAQ-GMTAPVOTSA-N 1 0 242.363 2.288 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccccc2)[C@H]1C ZINC000238854460 525247797 /nfs/dbraw/zinc/24/77/97/525247797.db2.gz NVIRYIHNKWLTFW-MBNYWOFBSA-N 1 0 218.344 2.244 10 0 BEAERO CN1CC[C@@H]2CC[N@H+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138265 536463129 /nfs/dbraw/zinc/46/31/29/536463129.db2.gz LPOXTYGRQMSUSW-CHWSQXEVSA-N 1 0 222.376 2.203 10 0 BEAERO CCOc1cccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400710979 528675183 /nfs/dbraw/zinc/67/51/83/528675183.db2.gz DODPYUQOBBZFJO-NWDGAFQWSA-N 1 0 234.343 2.495 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2nccs2)C[C@@H](C)O1 ZINC000393742021 582921803 /nfs/dbraw/zinc/92/18/03/582921803.db2.gz FYXDCCKZCYBTAE-NXEZZACHSA-N 1 0 240.372 2.436 10 0 BEAERO CC(C)C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227361491 535139725 /nfs/dbraw/zinc/13/97/25/535139725.db2.gz VBFKZBKDFGZFOU-STQMWFEESA-N 1 0 210.365 2.201 10 0 BEAERO CCCN(C(=O)C[C@@H](C)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000178935174 535207060 /nfs/dbraw/zinc/20/70/60/535207060.db2.gz HDZVBSRUMZVRJA-CHWSQXEVSA-N 1 0 240.391 2.269 10 0 BEAERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC)C12CCOCC2 ZINC000248919760 535416992 /nfs/dbraw/zinc/41/69/92/535416992.db2.gz DVUFZOXPZJEDRJ-JHJVBQTASA-N 1 0 241.375 2.349 10 0 BEAERO CCN(CC)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079495189 535457426 /nfs/dbraw/zinc/45/74/26/535457426.db2.gz CXJCHRYGHDCLSC-GFCCVEGCSA-N 1 0 243.395 2.014 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000224877604 535495146 /nfs/dbraw/zinc/49/51/46/535495146.db2.gz NCQLENVFLLFVAP-MWLCHTKSSA-N 1 0 237.299 2.344 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000246290286 535512918 /nfs/dbraw/zinc/51/29/18/535512918.db2.gz UNAROKAXRGNYBB-KGLIPLIRSA-N 1 0 242.407 2.075 10 0 BEAERO CC[C@@H](C)[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265466 535565759 /nfs/dbraw/zinc/56/57/59/535565759.db2.gz GXLQHPJYBQVZGB-GFCCVEGCSA-N 1 0 233.359 2.189 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1CCCC1 ZINC000177025963 535583821 /nfs/dbraw/zinc/58/38/21/535583821.db2.gz CRNGUESONPTZAF-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO CC[C@@H](NCC(C)(C)[NH3+])c1ccccc1OC ZINC000261560768 535802902 /nfs/dbraw/zinc/80/29/02/535802902.db2.gz UVMOMIZITCLCEH-GFCCVEGCSA-N 1 0 236.359 2.473 10 0 BEAERO CC[C@H]([NH2+]C)c1ccc2c(c1)CCC(=O)N2C ZINC000062806575 535892841 /nfs/dbraw/zinc/89/28/41/535892841.db2.gz FUNQRJRWOQOCPP-LBPRGKRZSA-N 1 0 232.327 2.266 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)C1CCCCC1 ZINC000348112265 535933256 /nfs/dbraw/zinc/93/32/56/535933256.db2.gz WTXILYSQUUHMQE-QWHCGFSZSA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)C1CC1 ZINC000252729280 535948778 /nfs/dbraw/zinc/94/87/78/535948778.db2.gz FZSCZHWAJIUTMJ-XBFCOCLRSA-N 1 0 224.392 2.493 10 0 BEAERO CCn1cccc1C[NH2+]C[C@H]1CCCS1 ZINC000087667995 536101905 /nfs/dbraw/zinc/10/19/05/536101905.db2.gz ZNXHENZLRHKOMG-GFCCVEGCSA-N 1 0 224.373 2.493 10 0 BEAERO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336195615 536137958 /nfs/dbraw/zinc/13/79/58/536137958.db2.gz WKTVMMLPXDGVFV-RYUDHWBXSA-N 1 0 246.345 2.448 10 0 BEAERO CC[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220390077 536149125 /nfs/dbraw/zinc/14/91/25/536149125.db2.gz DISMFCPZFZEBAW-XQQFMLRXSA-N 1 0 211.349 2.412 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000180637019 536174933 /nfs/dbraw/zinc/17/49/33/536174933.db2.gz BLGRYQXLTFZBSB-WDEREUQCSA-N 1 0 236.363 2.104 10 0 BEAERO CC[C@H]1C[C@H](C)CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261759111 536174811 /nfs/dbraw/zinc/17/48/11/536174811.db2.gz NIJQAFUYVQUTOM-QNWHQSFQSA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@@H](CC(F)F)Cn1cc[nH+]c1N ZINC000702619055 582926756 /nfs/dbraw/zinc/92/67/56/582926756.db2.gz LGXSWDJZMNYFJA-ZETCQYMHSA-N 1 0 203.236 2.147 10 0 BEAERO C[NH2+][C@@H](C)Cc1noc(C[C@H](C)C(C)(C)C)n1 ZINC000261882093 536349442 /nfs/dbraw/zinc/34/94/42/536349442.db2.gz WLTSJKJVOZCTJW-UWVGGRQHSA-N 1 0 239.363 2.445 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccc(C)cc2)C[C@H]1C ZINC000049709874 536377785 /nfs/dbraw/zinc/37/77/85/536377785.db2.gz BYKMFOACNLMFIV-TZMCWYRMSA-N 1 0 218.344 2.429 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccccc2OC)[C@@H](C)C1 ZINC000049694242 536378488 /nfs/dbraw/zinc/37/84/88/536378488.db2.gz DEEBICOFUZVNQR-NWDGAFQWSA-N 1 0 234.343 2.272 10 0 BEAERO C[NH2+][C@H](C)c1cnc(N2CCCCC2)nc1C ZINC000054962736 536406814 /nfs/dbraw/zinc/40/68/14/536406814.db2.gz HGBBKBFUOYSIPJ-SNVBAGLBSA-N 1 0 234.347 2.056 10 0 BEAERO COc1ccc(Cl)cc1N1CC[NH2+]C[C@@H]1C ZINC000041284375 536567809 /nfs/dbraw/zinc/56/78/09/536567809.db2.gz YQQBANQZCDFQNP-VIFPVBQESA-N 1 0 240.734 2.147 10 0 BEAERO COC1(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CCC1 ZINC000336187005 536628250 /nfs/dbraw/zinc/62/82/50/536628250.db2.gz KQLRZAYCBRPOBX-CHWSQXEVSA-N 1 0 239.359 2.199 10 0 BEAERO COC1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000230389849 536740200 /nfs/dbraw/zinc/74/02/00/536740200.db2.gz YKZMHDKKJMDIES-BLYZHGLHSA-N 1 0 241.375 2.085 10 0 BEAERO COC[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000343540895 536876683 /nfs/dbraw/zinc/87/66/83/536876683.db2.gz WYISVOIOIITWLW-BZPMIXESSA-N 1 0 243.391 2.451 10 0 BEAERO COc1ccc2cccc(N3CC[NH2+]CC3)c2c1 ZINC000013530050 537041751 /nfs/dbraw/zinc/04/17/51/537041751.db2.gz XDYRIGIBUWJCMR-UHFFFAOYSA-N 1 0 242.322 2.258 10 0 BEAERO C[C@]1(N)C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262840 538089277 /nfs/dbraw/zinc/08/92/77/538089277.db2.gz YGOWQTOGQJSRMH-QWRGUYRKSA-N 1 0 244.260 2.110 10 0 BEAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000725262764 538089589 /nfs/dbraw/zinc/08/95/89/538089589.db2.gz MGJHRSRVZQLENI-GHMZBOCLSA-N 1 0 244.260 2.110 10 0 BEAERO CC[C@H](C(=O)C1CC1)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000308788515 566299910 /nfs/dbraw/zinc/29/99/10/566299910.db2.gz BDIYTTMKYDJPMT-ADEWGFFLSA-N 1 0 209.333 2.380 10 0 BEAERO CC(C)[NH2+][C@@H]1CCCN([C@H](C)C(C)C)C1 ZINC000251322001 566432225 /nfs/dbraw/zinc/43/22/25/566432225.db2.gz MLRVAWZETQIDFZ-CHWSQXEVSA-N 1 0 212.381 2.493 10 0 BEAERO COc1cccc2[nH]c3c(c21)CC[NH2+][C@@H]3C ZINC000014724215 560225098 /nfs/dbraw/zinc/22/50/98/560225098.db2.gz QDQXNKDQEKVLMZ-MRVPVSSYSA-N 1 0 216.284 2.383 10 0 biogenic,in-vitro BEAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037164307 566350794 /nfs/dbraw/zinc/35/07/94/566350794.db2.gz VDJLERVCFAVMNO-STQMWFEESA-N 1 0 235.327 2.088 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000086856731 583114692 /nfs/dbraw/zinc/11/46/92/583114692.db2.gz IPUJXLLVRFYDLA-WOPDTQHZSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]1[NH2+]CCc2c3ccc(O)cc3[nH]c21 ZINC000001626309 571680777 /nfs/dbraw/zinc/68/07/77/571680777.db2.gz AZTMWIPCEFFOJD-ZETCQYMHSA-N 1 0 202.257 2.080 10 0 endogenous,in-man BEAERO O[C@H](C[NH2+]C[C@@H]1CCCc2ccccc21)C1CC1 ZINC000111342707 588744316 /nfs/dbraw/zinc/74/43/16/588744316.db2.gz FAWGQVGCDJOCBW-GOEBONIOSA-N 1 0 245.366 2.467 10 0 BEAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000111618076 588764715 /nfs/dbraw/zinc/76/47/15/588764715.db2.gz PONDZTLCLIISJD-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO C[NH2+]Cc1sc(C(=O)C(C)C)nc1C ZINC000757123728 582498186 /nfs/dbraw/zinc/49/81/86/582498186.db2.gz JNRJVZPJQWENDM-UHFFFAOYSA-N 1 0 212.318 2.010 10 0 BEAERO CCCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757125651 582500166 /nfs/dbraw/zinc/50/01/66/582500166.db2.gz FFKPRNAUGXVDOJ-QWHCGFSZSA-N 1 0 210.365 2.393 10 0 BEAERO CC[C@H](C)[C@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757126922 582501468 /nfs/dbraw/zinc/50/14/68/582501468.db2.gz HUMQVOGBUSXCHM-XVKPBYJWSA-N 1 0 228.361 2.032 10 0 BEAERO Cc1nc([C@H](O)CC(C)C)sc1CC[NH3+] ZINC000757128234 582503321 /nfs/dbraw/zinc/50/33/21/582503321.db2.gz KDFUBOAUOCTJNI-SECBINFHSA-N 1 0 228.361 2.032 10 0 BEAERO CC1(C)C[NH2+]C2(CCCCC2)O[C@]12CCOC2 ZINC000757138939 582518399 /nfs/dbraw/zinc/51/83/99/582518399.db2.gz FDYZKCWLIRJKBQ-ZDUSSCGKSA-N 1 0 239.359 2.452 10 0 BEAERO C[NH+]1CCC2(CC1)N[C@H](c1ccccc1)CCO2 ZINC000757139014 582519025 /nfs/dbraw/zinc/51/90/25/582519025.db2.gz CRZSFNGUJQIPRS-AWEZNQCLSA-N 1 0 246.354 2.160 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757139173 582519837 /nfs/dbraw/zinc/51/98/37/582519837.db2.gz GBXJNWCMMTTWAC-SSDOTTSWSA-N 1 0 241.228 2.046 10 0 BEAERO CC[C@@H]1CCC[C@@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757139372 582519857 /nfs/dbraw/zinc/51/98/57/582519857.db2.gz GRYHEHULPCLYJS-TZMCWYRMSA-N 1 0 239.359 2.309 10 0 BEAERO C[C@@H]1CCNC2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757139831 582520184 /nfs/dbraw/zinc/52/01/84/582520184.db2.gz IDADXANEXKRXJA-SNVBAGLBSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)(C)[C@H]1CCO[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757141476 582521922 /nfs/dbraw/zinc/52/19/22/582521922.db2.gz PBRLTCCDXGICSJ-MFKMUULPSA-N 1 0 227.348 2.306 10 0 BEAERO CC(C)(C)[C@H]1CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757143446 582523637 /nfs/dbraw/zinc/52/36/37/582523637.db2.gz XNGNUPXNESSOQA-YPMHNXCESA-N 1 0 227.348 2.308 10 0 BEAERO CC(C)[C@@H]1[NH2+]C2(CCOCC2)OCC1(C)C ZINC000757143805 582524454 /nfs/dbraw/zinc/52/44/54/582524454.db2.gz FIRISBYIGQOMBU-NSHDSACASA-N 1 0 227.348 2.164 10 0 BEAERO C[C@@H]1C[C@H](C)OC2(CC(C)(C)[NH2+]C(C)(C)C2)N1 ZINC000757144973 582526705 /nfs/dbraw/zinc/52/67/05/582526705.db2.gz HMTXQMSQAKHVJY-MNOVXSKESA-N 1 0 240.391 2.410 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757145331 582527469 /nfs/dbraw/zinc/52/74/69/582527469.db2.gz IILYLCOBYVLYNI-BXUZGUMPSA-N 1 0 239.359 2.308 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+][C@@]2(CCCOCC2)OC1 ZINC000757145197 582527768 /nfs/dbraw/zinc/52/77/68/582527768.db2.gz HYIFBFCXUYOUHG-AAEUAGOBSA-N 1 0 227.348 2.165 10 0 BEAERO CC(C)[C@H]1O[C@@]2(CCSC2)[NH2+]CC12CC2 ZINC000757145152 582527891 /nfs/dbraw/zinc/52/78/91/582527891.db2.gz OGJNRJRFXRVFDV-ZYHUDNBSSA-N 1 0 227.373 2.244 10 0 BEAERO Cc1cc(COC2C[NH2+]C2)ccc1Cl ZINC000757145455 582528133 /nfs/dbraw/zinc/52/81/33/582528133.db2.gz LQSATXPOLWQTNY-UHFFFAOYSA-N 1 0 211.692 2.137 10 0 BEAERO CC1(C)CC2(C1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757146071 582529442 /nfs/dbraw/zinc/52/94/42/582529442.db2.gz QDKIQHJDROVSQR-ZETCQYMHSA-N 1 0 205.248 2.146 10 0 BEAERO CCCC1(CCC)[NH2+][C@H](COC)CCO1 ZINC000757151310 582535476 /nfs/dbraw/zinc/53/54/76/582535476.db2.gz SGYNCHXQMGFRHK-NSHDSACASA-N 1 0 215.337 2.308 10 0 BEAERO CC(C)[C@@H]1C[NH2+]C2(CCSCC2)OC1 ZINC000757151437 582536288 /nfs/dbraw/zinc/53/62/88/582536288.db2.gz QQJJIAHVYPAVPA-SNVBAGLBSA-N 1 0 215.362 2.102 10 0 BEAERO CC[C@]1(C)CCOC2(CCN(C3CC3)CC2)[NH2+]1 ZINC000757152459 582536829 /nfs/dbraw/zinc/53/68/29/582536829.db2.gz SKQSEEYLHHQKJR-CYBMUJFWSA-N 1 0 238.375 2.120 10 0 BEAERO C[C@H]1CC(C)(C)O[C@]2(CCCOCC2)[NH2+]1 ZINC000757153394 582537232 /nfs/dbraw/zinc/53/72/32/582537232.db2.gz VCLBKGRCFDYXFJ-JQWIXIFHSA-N 1 0 213.321 2.060 10 0 BEAERO Cc1cc(C[C@@H](F)C[NH3+])ccc1Cl ZINC000757155407 582539721 /nfs/dbraw/zinc/53/97/21/582539721.db2.gz AZJFZGGVYKFQKF-SECBINFHSA-N 1 0 201.672 2.488 10 0 BEAERO C[NH2+]C[C@](C)(O)Cc1ccc(Cl)c(C)c1 ZINC000757155448 582539883 /nfs/dbraw/zinc/53/98/83/582539883.db2.gz CCOCIVRVZAOISV-GFCCVEGCSA-N 1 0 227.735 2.161 10 0 BEAERO Cc1cc(C[C@@](C)(O)CC[NH3+])ccc1Cl ZINC000757160545 582544457 /nfs/dbraw/zinc/54/44/57/582544457.db2.gz RCZZKDJYFRJMBV-LBPRGKRZSA-N 1 0 227.735 2.291 10 0 BEAERO Cc1ccoc1CSC[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000757163246 582545046 /nfs/dbraw/zinc/54/50/46/582545046.db2.gz DBAJZUGJJXCQRU-URLYPYJESA-N 1 0 223.341 2.287 10 0 BEAERO CCO[C@@H](C[NH3+])c1cscc1Cl ZINC000757166131 582547979 /nfs/dbraw/zinc/54/79/79/582547979.db2.gz UNAWAQJAYOJUHH-QMMMGPOBSA-N 1 0 205.710 2.438 10 0 BEAERO C[NH2+][C@H](COC)CSCc1occc1C ZINC000757167890 582548857 /nfs/dbraw/zinc/54/88/57/582548857.db2.gz ZDZBOCYPYBRHOT-SNVBAGLBSA-N 1 0 229.345 2.056 10 0 BEAERO [NH3+]C[C@@H]1CC(=O)Nc2c(Cl)c(Cl)ccc21 ZINC000757176089 582552383 /nfs/dbraw/zinc/55/23/83/582552383.db2.gz YUNGKZKZPPPVCS-YFKPBYRVSA-N 1 0 245.109 2.378 10 0 BEAERO COC(=O)C1(c2ccc(C(C)C)cc2)CC([NH3+])C1 ZINC000757177509 582552594 /nfs/dbraw/zinc/55/25/94/582552594.db2.gz MHWDVRFXXUJELL-UHFFFAOYSA-N 1 0 247.338 2.342 10 0 BEAERO CCCC[C@@H]1CC[C@H](C(=O)OCC)C[NH2+]1 ZINC000757216889 582561507 /nfs/dbraw/zinc/56/15/07/582561507.db2.gz RCIQVEBMUSZQSI-WDEREUQCSA-N 1 0 213.321 2.108 10 0 BEAERO CCCC[C@H]1CC[C@H](C(=O)OCC)C[NH2+]1 ZINC000757216888 582561599 /nfs/dbraw/zinc/56/15/99/582561599.db2.gz RCIQVEBMUSZQSI-QWRGUYRKSA-N 1 0 213.321 2.108 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](C)C[C@H]2C(F)(F)F ZINC000235352277 582565823 /nfs/dbraw/zinc/56/58/23/582565823.db2.gz OOQNSERUCVUAMU-VDTYLAMSSA-N 1 0 219.210 2.499 10 0 BEAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@@H]1CC[C@@H](C)O1 ZINC000235385957 582575667 /nfs/dbraw/zinc/57/56/67/582575667.db2.gz QYXWRBVLRMVIJG-MXWKQRLJSA-N 1 0 221.304 2.116 10 0 BEAERO CCCC[C@]1(CC)[NH2+]CCc2nc[nH]c21 ZINC000400486408 582579100 /nfs/dbraw/zinc/57/91/00/582579100.db2.gz ZDDDBVRIAPPGQZ-LBPRGKRZSA-N 1 0 207.321 2.351 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](C(F)(F)F)C[C@@H]2C ZINC000235574022 582594792 /nfs/dbraw/zinc/59/47/92/582594792.db2.gz WJQPHLOVNIYWCX-BQBZGAKWSA-N 1 0 219.210 2.499 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](c1cccnc1)CC2 ZINC000236044843 582637408 /nfs/dbraw/zinc/63/74/08/582637408.db2.gz OZTNZVJVLMKQTD-LLVKDONJSA-N 1 0 214.272 2.143 10 0 BEAERO Cc1cn2c([nH+]1)NCC[C@@H]2c1nccs1 ZINC000236045959 582637839 /nfs/dbraw/zinc/63/78/39/582637839.db2.gz SVNICRWPSFLOMS-MRVPVSSYSA-N 1 0 220.301 2.053 10 0 BEAERO CC(C)NC(=O)C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000041284310 582685506 /nfs/dbraw/zinc/68/55/06/582685506.db2.gz ISCQFBXYTVAMCY-NSHDSACASA-N 1 0 240.734 2.255 10 0 BEAERO CC[N@H+](CN1CCOC1=S)C1CCCCC1 ZINC000119552728 582770275 /nfs/dbraw/zinc/77/02/75/582770275.db2.gz QATDAZFCXFLRDN-UHFFFAOYSA-N 1 0 242.388 2.216 10 0 BEAERO CC(C)(C)OC(=O)c1cccc2c1OCC[NH2+]C2 ZINC000725260005 582804275 /nfs/dbraw/zinc/80/42/75/582804275.db2.gz LROSUWDHJOMPOK-UHFFFAOYSA-N 1 0 249.310 2.124 10 0 BEAERO C[NH2+][C@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000125601344 582825562 /nfs/dbraw/zinc/82/55/62/582825562.db2.gz JELBHGMFANHFJT-SNVBAGLBSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H](CCO)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000132964198 582868132 /nfs/dbraw/zinc/86/81/32/582868132.db2.gz CITKIOCOQVHETJ-QWHCGFSZSA-N 1 0 241.375 2.229 10 0 BEAERO CSC1([C@H]2[NH2+]CCc3ccoc32)CC1 ZINC000701384564 582916749 /nfs/dbraw/zinc/91/67/49/582916749.db2.gz GQCQHKDGJXFZMO-JTQLQIEISA-N 1 0 209.314 2.362 10 0 BEAERO Nc1[nH+]ccn1C[C@@H]1CCCCC1(F)F ZINC000702596348 582927141 /nfs/dbraw/zinc/92/71/41/582927141.db2.gz KNEHWPKTDMVCTD-QMMMGPOBSA-N 1 0 215.247 2.291 10 0 BEAERO C[C@H](C(=O)C(F)(F)F)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000702914270 582929984 /nfs/dbraw/zinc/92/99/84/582929984.db2.gz PIJKBAPXWCJWIE-GJMOJQLCSA-N 1 0 223.238 2.285 10 0 BEAERO Cc1ccc(N2CC3(CC[NH2+]CC3)OC2=O)cc1 ZINC000114354647 588874226 /nfs/dbraw/zinc/87/42/26/588874226.db2.gz JHMBWWXSKVIDGT-UHFFFAOYSA-N 1 0 246.310 2.074 10 0 BEAERO O=C1CCCN1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114445500 588874509 /nfs/dbraw/zinc/87/45/09/588874509.db2.gz XGVSQDGLILXVKI-OAHLLOKOSA-N 1 0 248.370 2.389 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1N1CCC(C)(C)CC1 ZINC000396731721 583089300 /nfs/dbraw/zinc/08/93/00/583089300.db2.gz YYKXVXKYSOGLMP-VXGBXAGGSA-N 1 0 210.365 2.249 10 0 BEAERO CC(C)N1CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397155379 583097663 /nfs/dbraw/zinc/09/76/63/583097663.db2.gz NKDANTHISUWJSX-ZDUSSCGKSA-N 1 0 236.384 2.203 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@H]2[C@@H]1CCCOC1 ZINC000397164753 583098236 /nfs/dbraw/zinc/09/82/36/583098236.db2.gz ZKRPAIFBXNTOKX-SKDRFNHKSA-N 1 0 223.341 2.362 10 0 BEAERO CCCN1CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397287726 583099583 /nfs/dbraw/zinc/09/95/83/583099583.db2.gz JYRNNNUZIPHPFA-ZDUSSCGKSA-N 1 0 236.384 2.205 10 0 BEAERO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000217828086 583172264 /nfs/dbraw/zinc/17/22/64/583172264.db2.gz LTXQPVHWEQKVQY-DTWKUNHWSA-N 1 0 240.734 2.207 10 0 BEAERO CCSCC[NH2+]C[C@H](C)N1CCCCC1 ZINC000128928842 583551026 /nfs/dbraw/zinc/55/10/26/583551026.db2.gz DYUWNYLYVNEAAC-LBPRGKRZSA-N 1 0 230.421 2.204 10 0 BEAERO Cc1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000334996339 583598988 /nfs/dbraw/zinc/59/89/88/583598988.db2.gz RJZKHLPIIKHKHT-GFCCVEGCSA-N 1 0 237.372 2.031 10 0 BEAERO c1cc(C[NH2+]C2CCC2)n(C2CCC2)n1 ZINC000667555445 583925350 /nfs/dbraw/zinc/92/53/50/583925350.db2.gz YFBJIDPYXOXLFV-UHFFFAOYSA-N 1 0 205.305 2.250 10 0 BEAERO C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)(C)C ZINC000675054346 583929689 /nfs/dbraw/zinc/92/96/89/583929689.db2.gz SPNJARROZNYIQV-IJLUTSLNSA-N 1 0 240.391 2.112 10 0 BEAERO CCCCC[N@H+](CN1CCOC1=S)C(C)C ZINC000116256263 588973987 /nfs/dbraw/zinc/97/39/87/588973987.db2.gz YMAVVJLQWVSTDX-UHFFFAOYSA-N 1 0 244.404 2.462 10 0 BEAERO CCN(CC)c1cc[nH+]c(C2=CCOCC2)c1N ZINC000757567194 586306448 /nfs/dbraw/zinc/30/64/48/586306448.db2.gz NMJVGPZFDPSTAV-UHFFFAOYSA-N 1 0 247.342 2.314 10 0 BEAERO COc1ccnc(-c2cccc(C[NH3+])c2)c1 ZINC000757573758 586382865 /nfs/dbraw/zinc/38/28/65/586382865.db2.gz YMVHRHFOQYNCFJ-UHFFFAOYSA-N 1 0 214.268 2.216 10 0 BEAERO FC1(F)CCC2(CC1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757138275 586427794 /nfs/dbraw/zinc/42/77/94/586427794.db2.gz AXMQUVFQBBVVGM-JTQLQIEISA-N 1 0 247.285 2.061 10 0 BEAERO CCC1(CC)[NH2+]CC2(CC2)C2(CCOCC2)O1 ZINC000757146033 586428408 /nfs/dbraw/zinc/42/84/08/586428408.db2.gz PVHHLPXBOYMMEB-UHFFFAOYSA-N 1 0 239.359 2.452 10 0 BEAERO C[C@H](CN1CC[C@H]1C[NH3+])C1CCCCC1 ZINC000757146435 586428951 /nfs/dbraw/zinc/42/89/51/586428951.db2.gz QMVSFERFCUOUOF-YPMHNXCESA-N 1 0 210.365 2.236 10 0 BEAERO CCCC1(CCC)[NH2+][C@@H](COC)CCO1 ZINC000757150788 586428999 /nfs/dbraw/zinc/42/89/99/586428999.db2.gz SGYNCHXQMGFRHK-LLVKDONJSA-N 1 0 215.337 2.308 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CCCCC2 ZINC000757184037 586434193 /nfs/dbraw/zinc/43/41/93/586434193.db2.gz HIGVLWVAOCQNCF-LLVKDONJSA-N 1 0 239.359 2.498 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CCCC2 ZINC000757184102 586434248 /nfs/dbraw/zinc/43/42/48/586434248.db2.gz JEMBKBDAEFJSED-JTQLQIEISA-N 1 0 225.332 2.108 10 0 BEAERO [NH3+]C[C@@H]1OCC[C@]12CCC[C@H](C(F)(F)F)C2 ZINC000757206742 586437388 /nfs/dbraw/zinc/43/73/88/586437388.db2.gz BMZFLCBHUNHDRF-GUBZILKMSA-N 1 0 237.265 2.473 10 0 BEAERO Cc1ccc(N)cc1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000757210089 586438427 /nfs/dbraw/zinc/43/84/27/586438427.db2.gz AHVQEQYFZPWCEJ-MNOVXSKESA-N 1 0 204.317 2.433 10 0 BEAERO CC(=O)c1ccc([C@@H]2CC[C@@H]([NH3+])[C@H](C)N2)cc1 ZINC000757213321 586439234 /nfs/dbraw/zinc/43/92/34/586439234.db2.gz JKLQUKCCCKSKJQ-FZZIBODNSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1c1cccc(C=O)c1 ZINC000757212364 586439315 /nfs/dbraw/zinc/43/93/15/586439315.db2.gz INERYQASUJCTTE-GWCFXTLKSA-N 1 0 203.285 2.355 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](c2ccc(C=O)s2)C1 ZINC000757215388 586440565 /nfs/dbraw/zinc/44/05/65/586440565.db2.gz NVHLMTUUATWHIS-RKDXNWHRSA-N 1 0 209.314 2.274 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1c1cccc(C=O)c1 ZINC000757217187 586441034 /nfs/dbraw/zinc/44/10/34/586441034.db2.gz RGVZKPFQSVWCBM-ZWNOBZJWSA-N 1 0 203.285 2.212 10 0 BEAERO CC[C@@H]1CCC[C@]2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000757217444 586441686 /nfs/dbraw/zinc/44/16/86/586441686.db2.gz KMGSTOHHLRMDPN-NQBHXWOUSA-N 1 0 225.332 2.237 10 0 BEAERO CC1(c2ccc([C@@H]3CC[C@@H]([NH3+])CN3)cc2)CC1 ZINC000757219277 586442378 /nfs/dbraw/zinc/44/23/78/586442378.db2.gz WKFQANWOPLQQNT-KGLIPLIRSA-N 1 0 230.355 2.490 10 0 BEAERO NC[C@@H]1CC[C@@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757232978 586443231 /nfs/dbraw/zinc/44/32/31/586443231.db2.gz JLJLYUZQNZAMPI-SFYZADRCSA-N 1 0 246.326 2.480 10 0 BEAERO Cc1ccc2n[nH]cc2c1-c1[nH+]ccc(N)c1N ZINC000757564748 586461217 /nfs/dbraw/zinc/46/12/17/586461217.db2.gz CKNNIILOKUBVKL-UHFFFAOYSA-N 1 0 239.282 2.098 10 0 BEAERO COc1ccccc1CC[N@H+](C)CCC(C)=O ZINC000104711135 588011021 /nfs/dbraw/zinc/01/10/21/588011021.db2.gz VRGKORJPBQFALQ-UHFFFAOYSA-N 1 0 235.327 2.149 10 0 BEAERO Cc1cc(C[NH2+]CC[C@H](C)[S@@](C)=O)c(C)o1 ZINC000122130319 589556811 /nfs/dbraw/zinc/55/68/11/589556811.db2.gz ZFAWIFNSNBSKJW-QFYYESIMSA-N 1 0 243.372 2.143 10 0 BEAERO Cc1cc(N[C@H]2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000122371669 589585141 /nfs/dbraw/zinc/58/51/41/589585141.db2.gz STKUJFSWZNXVHM-VIFPVBQESA-N 1 0 220.320 2.358 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1cccc(Cl)n1 ZINC000122914760 589643621 /nfs/dbraw/zinc/64/36/21/589643621.db2.gz OBIPGCYDAJWLPW-RKDXNWHRSA-N 1 0 225.723 2.274 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCO[C@H]2C)c(C)o1 ZINC000123716646 589776916 /nfs/dbraw/zinc/77/69/16/589776916.db2.gz CPLGLKZUHKNADP-JQWIXIFHSA-N 1 0 209.289 2.163 10 0 BEAERO C[C@H]([NH2+]CCc1ccccc1)C(=O)NC(C)(C)C ZINC000020312980 590097806 /nfs/dbraw/zinc/09/78/06/590097806.db2.gz IIURAUUVPURUEL-LBPRGKRZSA-N 1 0 248.370 2.122 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000020577608 590124940 /nfs/dbraw/zinc/12/49/40/590124940.db2.gz CWXWCWYPQMHAHS-NSHDSACASA-N 1 0 221.300 2.175 10 0 BEAERO COC(C[NH2+][C@H]1CCCC[C@H]1C(C)C)OC ZINC000125688903 590181741 /nfs/dbraw/zinc/18/17/41/590181741.db2.gz UPSAHLKAIDNWGI-RYUDHWBXSA-N 1 0 229.364 2.410 10 0 BEAERO COCCOC[C@H](C)[NH2+]CC1CCCCC1 ZINC000125721160 590185238 /nfs/dbraw/zinc/18/52/38/590185238.db2.gz ADGVCYYONWTMFO-LBPRGKRZSA-N 1 0 229.364 2.208 10 0 BEAERO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccoc1 ZINC000126103019 590230479 /nfs/dbraw/zinc/23/04/79/590230479.db2.gz QYJLFGCTMIHODQ-LBPRGKRZSA-N 1 0 225.332 2.412 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1cncc(Cl)n1 ZINC000126500183 590322437 /nfs/dbraw/zinc/32/24/37/590322437.db2.gz JPFUWTCCDAKTQP-RKDXNWHRSA-N 1 0 240.738 2.059 10 0 BEAERO CCC([NH3+])(CC)CNc1cncc(Cl)n1 ZINC000126514545 590324161 /nfs/dbraw/zinc/32/41/61/590324161.db2.gz VOUMXJKOOPYWRT-UHFFFAOYSA-N 1 0 228.727 2.059 10 0 BEAERO C[C@H]1C[C@H]([NH2+]CC[S@](C)=O)CC(C)(C)C1 ZINC000126871401 590478039 /nfs/dbraw/zinc/47/80/39/590478039.db2.gz WSJCJBARMXTTEG-ZIBATOQPSA-N 1 0 231.405 2.169 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000127077402 590553595 /nfs/dbraw/zinc/55/35/95/590553595.db2.gz TYULADKRFRZJLC-IJLUTSLNSA-N 1 0 207.317 2.149 10 0 BEAERO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCCSC2)C1 ZINC000128244483 590949804 /nfs/dbraw/zinc/94/98/04/590949804.db2.gz KXOBFNGZPJGXKF-CHWSQXEVSA-N 1 0 242.432 2.204 10 0 BEAERO CC[C@H](C[NH2+][C@H]1CCCSC1)N1CCCC1 ZINC000128243333 590949854 /nfs/dbraw/zinc/94/98/54/590949854.db2.gz ZWAAHAQILSCEIP-QWHCGFSZSA-N 1 0 242.432 2.346 10 0 BEAERO C[C@]1(C[NH2+][C@@H]2CCCSC2)CCCC[C@@H]1O ZINC000128315295 590977918 /nfs/dbraw/zinc/97/79/18/590977918.db2.gz NYOAGHZLBJZJBF-FRRDWIJNSA-N 1 0 243.416 2.413 10 0 BEAERO CC(C)[NH2+]C1CCN(Cc2ccoc2)CC1 ZINC000128365386 591010184 /nfs/dbraw/zinc/01/01/84/591010184.db2.gz HITATBSDXJEVCA-UHFFFAOYSA-N 1 0 222.332 2.242 10 0 BEAERO C[C@@H]1CCc2n[nH]c(C3CC[NH2+]CC3)c2C1 ZINC000211361996 591162453 /nfs/dbraw/zinc/16/24/53/591162453.db2.gz YNYOVTSACLJYCP-SECBINFHSA-N 1 0 219.332 2.002 10 0 BEAERO C[C@H]1CCc2n[nH]c(C3CC[NH2+]CC3)c2C1 ZINC000211362066 591163217 /nfs/dbraw/zinc/16/32/17/591163217.db2.gz YNYOVTSACLJYCP-VIFPVBQESA-N 1 0 219.332 2.002 10 0 BEAERO CCC1(O)CCC([NH2+]Cc2ccoc2)CC1 ZINC000129155710 591260677 /nfs/dbraw/zinc/26/06/77/591260677.db2.gz NWDOQMLWLXKDGD-UHFFFAOYSA-N 1 0 223.316 2.453 10 0 BEAERO CCCc1nsc(N[C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000129536063 591321729 /nfs/dbraw/zinc/32/17/29/591321729.db2.gz BKKNSTXOFXQFNT-DTWKUNHWSA-N 1 0 240.376 2.043 10 0 BEAERO CC[C@H](C)c1noc(-c2ccnc(C[NH3+])c2)n1 ZINC000129711205 591380356 /nfs/dbraw/zinc/38/03/56/591380356.db2.gz CLFQAPGJJLLOON-QMMMGPOBSA-N 1 0 232.287 2.104 10 0 BEAERO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1cccs1 ZINC000129773932 591402814 /nfs/dbraw/zinc/40/28/14/591402814.db2.gz OWXWLJFWNJFZNW-SCZZXKLOSA-N 1 0 238.356 2.053 10 0 BEAERO CC[C@@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000131570803 591623401 /nfs/dbraw/zinc/62/34/01/591623401.db2.gz WCXDDLJBYOCOQI-GFCCVEGCSA-N 1 0 211.349 2.414 10 0 BEAERO CCC[C@@H](OC)c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000131978426 591682655 /nfs/dbraw/zinc/68/26/55/591682655.db2.gz PVYRLQOIHMOBMU-NXEZZACHSA-N 1 0 239.319 2.024 10 0 BEAERO CCCCCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000133111887 591766922 /nfs/dbraw/zinc/76/69/22/591766922.db2.gz HSLZEHGCBVBIJX-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000133277132 591781860 /nfs/dbraw/zinc/78/18/60/591781860.db2.gz JJRAESMBLGXORC-IDWGSYCQSA-N 1 0 240.347 2.040 10 0 BEAERO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCC(C)=O ZINC000133434654 591792198 /nfs/dbraw/zinc/79/21/98/591792198.db2.gz IQMAZMXZEPTFDA-STQMWFEESA-N 1 0 241.375 2.491 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC[S@](C)=O)cc1C ZINC000133808491 591860065 /nfs/dbraw/zinc/86/00/65/591860065.db2.gz MXQOPGZIIRXDGE-BLLLJJGKSA-N 1 0 239.384 2.333 10 0 BEAERO C[C@H]([NH2+]CC[S@](C)=O)c1cccc(Cl)c1 ZINC000133820557 591862133 /nfs/dbraw/zinc/86/21/33/591862133.db2.gz HUVOPEBUIBDSSJ-BJOHPYRUSA-N 1 0 245.775 2.369 10 0 BEAERO CCCCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000134089168 591886353 /nfs/dbraw/zinc/88/63/53/591886353.db2.gz RARFRPUOEUMRSM-UHFFFAOYSA-N 1 0 239.363 2.407 10 0 BEAERO COc1c(C[NH2+]C2CCCCC2)c(C)nn1C ZINC000134093675 591886683 /nfs/dbraw/zinc/88/66/83/591886683.db2.gz BIRSEEZWAXVHGP-UHFFFAOYSA-N 1 0 237.347 2.159 10 0 BEAERO O[C@H](C[NH2+]Cc1ccoc1)c1ccccc1F ZINC000134284674 591911759 /nfs/dbraw/zinc/91/17/59/591911759.db2.gz UDEKSIHRCNHHRY-CYBMUJFWSA-N 1 0 235.258 2.242 10 0 BEAERO CC[C@@H](CCO)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000134394363 591923920 /nfs/dbraw/zinc/92/39/20/591923920.db2.gz IWUCATQYSMCHPX-QWHCGFSZSA-N 1 0 241.375 2.229 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCCSC1)Cn1ccnc1 ZINC000134805651 591950698 /nfs/dbraw/zinc/95/06/98/591950698.db2.gz ZGIGVEFGTSLZKW-NEPJUHHUSA-N 1 0 239.388 2.004 10 0 BEAERO CN(C)c1cc[nH+]c(NCc2ccoc2)c1 ZINC000134838574 591953137 /nfs/dbraw/zinc/95/31/37/591953137.db2.gz QWAQSEWHEPNCEN-UHFFFAOYSA-N 1 0 217.272 2.353 10 0 BEAERO c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1CCOC1 ZINC000135373639 592009812 /nfs/dbraw/zinc/00/98/12/592009812.db2.gz HTWHRKNPGZDTNR-LBPRGKRZSA-N 1 0 242.322 2.361 10 0 BEAERO C[NH+](C)CCCNCc1cncc2ccccc21 ZINC000135370507 592010260 /nfs/dbraw/zinc/01/02/60/592010260.db2.gz UTJFFMDJNTUXHM-UHFFFAOYSA-N 1 0 243.354 2.276 10 0 BEAERO CC[C@]1(C)C[N@H+](CC2(O)CCCCC2)CCO1 ZINC000135605752 592025842 /nfs/dbraw/zinc/02/58/42/592025842.db2.gz APIRYSGZFPNVGJ-CYBMUJFWSA-N 1 0 241.375 2.183 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1CC12CCC([NH3+])CC2 ZINC000217123493 592099576 /nfs/dbraw/zinc/09/95/76/592099576.db2.gz LPXWLUDPPZPQMK-QUNCOHTASA-N 1 0 240.347 2.171 10 0 BEAERO C[C@H](C[C@H](C)O)[NH2+]Cc1cncc2ccccc21 ZINC000136406392 592116937 /nfs/dbraw/zinc/11/69/37/592116937.db2.gz YODXONSXSLZBRH-NEPJUHHUSA-N 1 0 244.338 2.484 10 0 BEAERO Cc1ccc(N(C)C(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136448341 592126482 /nfs/dbraw/zinc/12/64/82/592126482.db2.gz LHIQYOAKXAUODZ-ZDUSSCGKSA-N 1 0 234.343 2.331 10 0 BEAERO Cc1ccc(N(C)C(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136448386 592126608 /nfs/dbraw/zinc/12/66/08/592126608.db2.gz LHIQYOAKXAUODZ-CYBMUJFWSA-N 1 0 234.343 2.331 10 0 BEAERO C[C@@H]1[NH2+]CC[C@@H]1c1nc([C@H]2CC2(C)C)no1 ZINC000300345230 592507286 /nfs/dbraw/zinc/50/72/86/592507286.db2.gz WGCUIHVKOXJAHV-XHNCKOQMSA-N 1 0 221.304 2.049 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000300374218 592509544 /nfs/dbraw/zinc/50/95/44/592509544.db2.gz BMWCUJRJTIRAFO-RDBSUJKOSA-N 1 0 219.328 2.498 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(CCC(C)(C)C)no1 ZINC000302314279 592546881 /nfs/dbraw/zinc/54/68/81/592546881.db2.gz PJECYWYXAWGJNR-NXEZZACHSA-N 1 0 237.347 2.371 10 0 BEAERO FC1(F)CC[C@@H](c2noc([C@@H]3CCC[NH2+]3)n2)C1 ZINC000302392739 592547491 /nfs/dbraw/zinc/54/74/91/592547491.db2.gz POTMBQVYXRLKIB-SFYZADRCSA-N 1 0 243.257 2.397 10 0 BEAERO c1cn(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC=CO2)cn1 ZINC000194642183 634403253 /nfs/dbraw/zinc/40/32/53/634403253.db2.gz YKCCLUCOUJUJBA-KBPBESRZSA-N 1 0 247.342 2.040 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)oc1C ZINC000336756638 635281993 /nfs/dbraw/zinc/28/19/93/635281993.db2.gz IWPFZAWNWGKLRB-LPEHRKFASA-N 1 0 211.305 2.316 10 0 BEAERO CCc1cccc(F)c1C[NH2+][C@@H](C)[C@H](C)O ZINC000336765932 635286000 /nfs/dbraw/zinc/28/60/00/635286000.db2.gz OQAABOZPELNCQY-UWVGGRQHSA-N 1 0 225.307 2.247 10 0 BEAERO CC1(C)C[C@@H]1c1noc(C[NH2+]CC2CC2)n1 ZINC000225478166 635408338 /nfs/dbraw/zinc/40/83/38/635408338.db2.gz PMFZAFRYWSHVIV-SECBINFHSA-N 1 0 221.304 2.083 10 0 BEAERO CC(C)[NH2+]CCc1nc([C@@H]2CC2(C)C)no1 ZINC000225474277 635408783 /nfs/dbraw/zinc/40/87/83/635408783.db2.gz LLLHLMDOEIJMCO-VIFPVBQESA-N 1 0 223.320 2.124 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250828644 635502551 /nfs/dbraw/zinc/50/25/51/635502551.db2.gz PAKYLLWVKMUCED-AVGNSLFASA-N 1 0 240.391 2.446 10 0 BEAERO FC(F)COCC[NH2+]CCc1ccccc1 ZINC000231692996 635506915 /nfs/dbraw/zinc/50/69/15/635506915.db2.gz ZNLYORSXYIHCDC-UHFFFAOYSA-N 1 0 229.270 2.100 10 0 BEAERO COC(=O)[C@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC000094996355 635508958 /nfs/dbraw/zinc/50/89/58/635508958.db2.gz DKJLWTZGQGZMLG-MNOVXSKESA-N 1 0 227.348 2.164 10 0 BEAERO CC1(C)C[C@@H]1c1noc(-c2ccnc(C[NH3+])c2)n1 ZINC000232889820 635521443 /nfs/dbraw/zinc/52/14/43/635521443.db2.gz FVFCEJQHGXOJRE-SNVBAGLBSA-N 1 0 244.298 2.104 10 0 BEAERO CC(C(=O)N[C@H]1CCC[C@@H]1C[NH3+])=C1CCCC1 ZINC000157881931 631324922 /nfs/dbraw/zinc/32/49/22/631324922.db2.gz PWRXRIFGFXCQKT-OLZOCXBDSA-N 1 0 236.359 2.121 10 0 BEAERO CC[C@H]([NH2+]CC[S@](=O)CC)C(C)(C)C ZINC000308726258 631555497 /nfs/dbraw/zinc/55/54/97/631555497.db2.gz GRNVDSIRYUGIHX-IINYFYTJSA-N 1 0 219.394 2.169 10 0 BEAERO CC[C@H]([NH2+]CC[S@@](=O)CC)C(C)(C)C ZINC000308726257 631555239 /nfs/dbraw/zinc/55/52/39/631555239.db2.gz GRNVDSIRYUGIHX-HZMBPMFUSA-N 1 0 219.394 2.169 10 0 BEAERO CC1(C)C(NC(=O)C2CCC([NH3+])CC2)C1(C)C ZINC000092818302 631560752 /nfs/dbraw/zinc/56/07/52/631560752.db2.gz DHBAOFKEZADRDZ-UHFFFAOYSA-N 1 0 238.375 2.055 10 0 BEAERO COC1CC([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000308907382 631723573 /nfs/dbraw/zinc/72/35/73/631723573.db2.gz CWIKWUWYITZQHH-HBIQZDMRSA-N 1 0 215.312 2.282 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000309029782 631804464 /nfs/dbraw/zinc/80/44/64/631804464.db2.gz CYMCUUANCRGYAQ-BQUFFADESA-N 1 0 211.349 2.338 10 0 BEAERO CCC[N@H+](C)C[C@@H](O)c1ccccc1C ZINC000044127553 631814489 /nfs/dbraw/zinc/81/44/89/631814489.db2.gz HYEIKYFJDZMOGC-CYBMUJFWSA-N 1 0 207.317 2.370 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000309074624 631836710 /nfs/dbraw/zinc/83/67/10/631836710.db2.gz IVFBXKDRMUEZMM-RNJOBUHISA-N 1 0 211.349 2.314 10 0 BEAERO CS[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000235053366 631894384 /nfs/dbraw/zinc/89/43/84/631894384.db2.gz ATCFOYADXKAGOP-WRWGMCAJSA-N 1 0 229.389 2.164 10 0 BEAERO CCN(C[C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000051890146 631999565 /nfs/dbraw/zinc/99/95/65/631999565.db2.gz WHLTZAGGMUALGU-ZDUSSCGKSA-N 1 0 218.344 2.431 10 0 BEAERO CC(C)CNC(=[NH2+])NCC1CCCCC1 ZINC000052041650 632051994 /nfs/dbraw/zinc/05/19/94/632051994.db2.gz CYOGPSWDWBRKJR-UHFFFAOYSA-N 1 0 211.353 2.337 10 0 BEAERO CCCCOCCNC(=[NH2+])NC1CCCCC1 ZINC000052047967 632056629 /nfs/dbraw/zinc/05/66/29/632056629.db2.gz PSXZXWRKTJQCAP-UHFFFAOYSA-N 1 0 241.379 2.250 10 0 BEAERO CC[C@H](C)c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000251330180 635703004 /nfs/dbraw/zinc/70/30/04/635703004.db2.gz IJQOKYWKBFYRIE-GUBZILKMSA-N 1 0 223.320 2.426 10 0 BEAERO CC[N@H+]1C[C@H](Nc2ccnc(Cl)c2)[C@@H](C)C1 ZINC000309473346 632101698 /nfs/dbraw/zinc/10/16/98/632101698.db2.gz RFXHSFABQYVGSO-ONGXEEELSA-N 1 0 239.750 2.487 10 0 BEAERO COc1c(C)cnc(C[NH2+][C@H]2C[C@H]2C)c1C ZINC000052287942 632116929 /nfs/dbraw/zinc/11/69/29/632116929.db2.gz YZLPGSCLBHHFTJ-KCJUWKMLSA-N 1 0 220.316 2.205 10 0 BEAERO C[C@H](C[NH3+])c1noc(C2CCCCC2)n1 ZINC000054158746 635775749 /nfs/dbraw/zinc/77/57/49/635775749.db2.gz TYCSMBLXSAVFNP-MRVPVSSYSA-N 1 0 209.293 2.180 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2ccc(F)cc2F)n1 ZINC000054158764 635776102 /nfs/dbraw/zinc/77/61/02/635776102.db2.gz YZOHFHZLMDWMFA-ZCFIWIBFSA-N 1 0 239.225 2.077 10 0 BEAERO C[C@@H](C[NH3+])c1noc(CCCc2ccccc2)n1 ZINC000054158887 635776500 /nfs/dbraw/zinc/77/65/00/635776500.db2.gz PCCXIQCTHWCQPX-NSHDSACASA-N 1 0 245.326 2.307 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)C[NH3+])no2)c(C)c1 ZINC000054158766 635776651 /nfs/dbraw/zinc/77/66/51/635776651.db2.gz ZXKAAMIRWHRXHJ-SNVBAGLBSA-N 1 0 231.299 2.416 10 0 BEAERO COC1CC([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000308907393 632393837 /nfs/dbraw/zinc/39/38/37/632393837.db2.gz CWIKWUWYITZQHH-XKGSQUFQSA-N 1 0 215.312 2.282 10 0 BEAERO FC1(C[NH2+]C[C@@H]2OCCc3sccc32)CC1 ZINC000309526947 632470430 /nfs/dbraw/zinc/47/04/30/632470430.db2.gz CJLGVYMHUSHDCV-JTQLQIEISA-N 1 0 241.331 2.454 10 0 BEAERO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000162043409 632500519 /nfs/dbraw/zinc/50/05/19/632500519.db2.gz JHGVHILZOGTMEF-IJLUTSLNSA-N 1 0 240.391 2.160 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000309029784 632618106 /nfs/dbraw/zinc/61/81/06/632618106.db2.gz CYMCUUANCRGYAQ-RYDUCSDGSA-N 1 0 211.349 2.338 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309051069 632630555 /nfs/dbraw/zinc/63/05/55/632630555.db2.gz RDRRRVRGOCTETH-XWLWVQCSSA-N 1 0 231.405 2.266 10 0 BEAERO C[C@@H]([NH2+]Cc1nc(Cl)cs1)[C@H]1CCCO1 ZINC000309087942 632635462 /nfs/dbraw/zinc/63/54/62/632635462.db2.gz ABZZGSMEQFEEGS-HTQZYQBOSA-N 1 0 246.763 2.454 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C ZINC000309087189 632635500 /nfs/dbraw/zinc/63/55/00/632635500.db2.gz ZETCQOBAKJAGLD-RNJOBUHISA-N 1 0 211.349 2.436 10 0 BEAERO CC[C@@H]([NH2+]Cc1nonc1C)C(C)(C)C ZINC000309166934 632657530 /nfs/dbraw/zinc/65/75/30/632657530.db2.gz JLSXNFHLSUCSCT-SNVBAGLBSA-N 1 0 211.309 2.292 10 0 BEAERO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC000309941502 632685924 /nfs/dbraw/zinc/68/59/24/632685924.db2.gz BUESIIWGWMIWLY-GARJFASQSA-N 1 0 224.304 2.201 10 0 BEAERO COC1(CC[N@@H+]2CCC[C@@H](C(C)=O)C2)CCC1 ZINC000310534305 632755589 /nfs/dbraw/zinc/75/55/89/632755589.db2.gz AGVUSYLEJHLXJI-CYBMUJFWSA-N 1 0 239.359 2.247 10 0 BEAERO CC(C)CNC(=[NH2+])NCCC1CCCC1 ZINC000052042336 632780084 /nfs/dbraw/zinc/78/00/84/632780084.db2.gz DRUXZIGTVRHUBL-UHFFFAOYSA-N 1 0 211.353 2.337 10 0 BEAERO C[C@@H]1CCCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000052043579 632782164 /nfs/dbraw/zinc/78/21/64/632782164.db2.gz LTWKRAFDGNHIRD-NXEZZACHSA-N 1 0 209.337 2.089 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N1CCc2c(C)cccc2C1 ZINC000178115016 632946830 /nfs/dbraw/zinc/94/68/30/632946830.db2.gz DWFXFJMQJOLGKC-AWEZNQCLSA-N 1 0 246.354 2.007 10 0 BEAERO CC(C)CC[C@@](C)(O)C[NH2+]CC(C)C ZINC000055030147 632973154 /nfs/dbraw/zinc/97/31/54/632973154.db2.gz UYQGGSWJLFWXSV-GFCCVEGCSA-N 1 0 201.354 2.419 10 0 BEAERO C[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000162043665 633017736 /nfs/dbraw/zinc/01/77/36/633017736.db2.gz JHGVHILZOGTMEF-UTUOFQBUSA-N 1 0 240.391 2.160 10 0 BEAERO c1cc2c([nH]1)CCC[C@H]2[NH2+]C1CCOCC1 ZINC000309424950 633054799 /nfs/dbraw/zinc/05/47/99/633054799.db2.gz BMPASCNZGOMYHI-CYBMUJFWSA-N 1 0 220.316 2.161 10 0 BEAERO Cc1occc1-c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000165592216 633094439 /nfs/dbraw/zinc/09/44/39/633094439.db2.gz CWQMWPMSZVYFLJ-IUCAKERBSA-N 1 0 233.271 2.233 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000166474403 633112959 /nfs/dbraw/zinc/11/29/59/633112959.db2.gz DNHOQVXLRPVJDJ-UONOGXRCSA-N 1 0 245.322 2.040 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCCC(C)(C)CC2 ZINC000166439703 633113217 /nfs/dbraw/zinc/11/32/17/633113217.db2.gz ITSWNUXGHAYCKA-SMDDNHRTSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@]12CCCC(C)(C)C2 ZINC000166592154 633117599 /nfs/dbraw/zinc/11/75/99/633117599.db2.gz ZKJANWCRSSDTOK-BXUZGUMPSA-N 1 0 239.359 2.356 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@H]2CC[C@@H](C)C2)n1 ZINC000309515128 633187139 /nfs/dbraw/zinc/18/71/39/633187139.db2.gz YLINHCBBPWCJQI-HLTSFMKQSA-N 1 0 209.293 2.035 10 0 BEAERO COCC[NH2+]CCc1ccc(C)c(C)c1 ZINC000053292982 633232974 /nfs/dbraw/zinc/23/29/74/633232974.db2.gz VQULNBQRQPZGBW-UHFFFAOYSA-N 1 0 207.317 2.082 10 0 BEAERO CC(C)NC(=O)CC[NH+]1CCCCCCC1 ZINC000046502281 636062938 /nfs/dbraw/zinc/06/29/38/636062938.db2.gz SCQKXHFDIMNSEB-UHFFFAOYSA-N 1 0 226.364 2.167 10 0 BEAERO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(F)F ZINC000122586851 633788182 /nfs/dbraw/zinc/78/81/82/633788182.db2.gz XQFYSKIZUCGBSF-FGWVZKOKSA-N 1 0 232.318 2.104 10 0 BEAERO CCOC[C@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309898991 633912899 /nfs/dbraw/zinc/91/28/99/633912899.db2.gz GWTVGVCUUFBTKA-GXFFZTMASA-N 1 0 222.332 2.407 10 0 BEAERO C[C@@H](C[NH3+])c1noc([C@@H]2CC[C@@H](C)C2)n1 ZINC000309515129 633942880 /nfs/dbraw/zinc/94/28/80/633942880.db2.gz YLINHCBBPWCJQI-HRDYMLBCSA-N 1 0 209.293 2.035 10 0 BEAERO COC1CC([NH2+]Cc2cnc(Cl)c(C)c2)C1 ZINC000309598355 633963052 /nfs/dbraw/zinc/96/30/52/633963052.db2.gz WVXKSXLMDCBEJF-UHFFFAOYSA-N 1 0 240.734 2.310 10 0 BEAERO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H](C)O ZINC000309952317 633973699 /nfs/dbraw/zinc/97/36/99/633973699.db2.gz GSDZFDZNCZADGZ-BDAKNGLRSA-N 1 0 242.388 2.300 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000309980037 634017590 /nfs/dbraw/zinc/01/75/90/634017590.db2.gz VTHHFJJSXNZRGG-LGUIWLBCSA-N 1 0 239.281 2.466 10 0 BEAERO CC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)OC)C1)C(C)C ZINC000309998414 634060107 /nfs/dbraw/zinc/06/01/07/634060107.db2.gz CXUIXKLKBCJQPM-WOPDTQHZSA-N 1 0 227.348 2.352 10 0 BEAERO [NH3+]CCCn1cc(-c2cccc(F)c2F)cn1 ZINC000310093485 634360734 /nfs/dbraw/zinc/36/07/34/634360734.db2.gz SSSQNODWZDLBJB-UHFFFAOYSA-N 1 0 237.253 2.177 10 0 BEAERO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000162882899 635146251 /nfs/dbraw/zinc/14/62/51/635146251.db2.gz XICZFWIKCWAPMP-GRYCIOLGSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)[C@H](C)O ZINC000336649018 635201425 /nfs/dbraw/zinc/20/14/25/635201425.db2.gz HHYSMMIHQPYQQG-CSMHCCOUSA-N 1 0 213.243 2.076 10 0 BEAERO CC(C)c1ccc(CNC(=O)C2CC([NH3+])C2)cc1 ZINC000258822390 635208455 /nfs/dbraw/zinc/20/84/55/635208455.db2.gz YFJPJRPBNDUHPX-UHFFFAOYSA-N 1 0 246.354 2.164 10 0 BEAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)s1 ZINC000336783174 635281196 /nfs/dbraw/zinc/28/11/96/635281196.db2.gz ZQDUKPBPJCKUMM-OYNCUSHFSA-N 1 0 242.388 2.434 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000336754266 635281822 /nfs/dbraw/zinc/28/18/22/635281822.db2.gz IDGMSDVHPDJUBW-YUMQZZPRSA-N 1 0 231.698 2.338 10 0 BEAERO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@H](C)O)s1 ZINC000336783175 635282525 /nfs/dbraw/zinc/28/25/25/635282525.db2.gz ZQDUKPBPJCKUMM-WEDXCCLWSA-N 1 0 242.388 2.434 10 0 BEAERO CC(C)c1ncc(C[NH2+][C@H](C)[C@@H](C)O)s1 ZINC000336772866 635286786 /nfs/dbraw/zinc/28/67/86/635286786.db2.gz YKVZYOQFZGKTMB-RKDXNWHRSA-N 1 0 228.361 2.125 10 0 BEAERO CC(C)(C)C(=O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000054026780 635331673 /nfs/dbraw/zinc/33/16/73/635331673.db2.gz IFYYINRNFCZRII-GFCCVEGCSA-N 1 0 241.375 2.229 10 0 BEAERO CCCCCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000054074192 635346429 /nfs/dbraw/zinc/34/64/29/635346429.db2.gz QWLJMLZXJDSFFU-WDEREUQCSA-N 1 0 214.353 2.069 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2ccc(F)c(F)c2)n1 ZINC000054158678 635774851 /nfs/dbraw/zinc/77/48/51/635774851.db2.gz ANHXWERPLFDDEO-ZCFIWIBFSA-N 1 0 239.225 2.077 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2cc3c(s2)CCC3)n1 ZINC000054158673 635775289 /nfs/dbraw/zinc/77/52/89/635775289.db2.gz MLOFEZRFGYPSCT-ZETCQYMHSA-N 1 0 249.339 2.349 10 0 BEAERO C(C[C@H]1CCC[NH2+]1)c1nc(CC2CCC2)no1 ZINC000310543272 636265871 /nfs/dbraw/zinc/26/58/71/636265871.db2.gz CYZXAMDKOCUSTO-LLVKDONJSA-N 1 0 235.331 2.097 10 0 BEAERO C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)[C@H](C)O ZINC000342186901 636327497 /nfs/dbraw/zinc/32/74/97/636327497.db2.gz FFRHWOWWBPWSOK-MNOVXSKESA-N 1 0 249.354 2.259 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@H]1c1cc(F)ccc1F ZINC000250565407 636543375 /nfs/dbraw/zinc/54/33/75/636543375.db2.gz DECBJGFGSJTVLI-SKDRFNHKSA-N 1 0 226.270 2.059 10 0 BEAERO CN(C[C@@H]1CCC2(CCCC2)C[NH2+]1)C1CC1 ZINC000669384685 636589672 /nfs/dbraw/zinc/58/96/72/636589672.db2.gz BDUCEYHVRQJCSQ-LBPRGKRZSA-N 1 0 222.376 2.393 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCN(OCC)CC1 ZINC000323505499 637004067 /nfs/dbraw/zinc/00/40/67/637004067.db2.gz PHKGBCCZSHJUBK-DGCLKSJQSA-N 1 0 226.364 2.181 10 0 BEAERO COc1ccccc1CN(C)CCC[NH2+]C1CC1 ZINC000042442204 637250128 /nfs/dbraw/zinc/25/01/28/637250128.db2.gz KLGCKTNEMUTASI-UHFFFAOYSA-N 1 0 248.370 2.269 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(CC2CC2)no1 ZINC000149013743 637899266 /nfs/dbraw/zinc/89/92/66/637899266.db2.gz GWVBEHYKZLDOBJ-QWRGUYRKSA-N 1 0 235.331 2.255 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2nccnc2Cl)C1 ZINC000043538092 638556227 /nfs/dbraw/zinc/55/62/27/638556227.db2.gz LQVDSAPBUYKPDN-SECBINFHSA-N 1 0 240.738 2.026 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)O)CC2 ZINC000348438196 639208728 /nfs/dbraw/zinc/20/87/28/639208728.db2.gz XXUDOLAHQHFCPN-PKFCDNJMSA-N 1 0 235.327 2.041 10 0 BEAERO Cl/C=C/CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917817 711469184 /nfs/dbraw/zinc/46/91/84/711469184.db2.gz PBJVENMRFVYUCE-NDYVEPOPSA-N 1 0 228.767 2.203 10 0 BEAERO COCCCC[NH2+]CCc1ccccc1 ZINC000044349830 640218441 /nfs/dbraw/zinc/21/84/41/640218441.db2.gz ILYZBYWTAOAHJL-UHFFFAOYSA-N 1 0 207.317 2.245 10 0 BEAERO CC(C)c1nc(C2([NH3+])CCCCC2)n(C)n1 ZINC000054697906 640305413 /nfs/dbraw/zinc/30/54/13/640305413.db2.gz WUBFJTPGNIQRTH-UHFFFAOYSA-N 1 0 222.336 2.057 10 0 BEAERO C[NH2+]C1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000044677407 640451831 /nfs/dbraw/zinc/45/18/31/640451831.db2.gz CEFMBDBBIOFTRZ-HUUCEWRRSA-N 1 0 230.355 2.226 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698701 640710923 /nfs/dbraw/zinc/71/09/23/640710923.db2.gz ABDNFRBMZPXXPK-DTWKUNHWSA-N 1 0 224.352 2.159 10 0 BEAERO CC[C@@H]1CC[NH2+][C@@H](CC(=O)C(F)(F)F)C1 ZINC000167557828 640731114 /nfs/dbraw/zinc/73/11/14/640731114.db2.gz QREMSNGUARVWJK-HTQZYQBOSA-N 1 0 223.238 2.286 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000226379603 640757376 /nfs/dbraw/zinc/75/73/76/640757376.db2.gz WADUNIISEMUTBE-QNWHQSFQSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C(=O)N[C@H]1CCC[C@H]1C[NH3+])=C1CCCC1 ZINC000157882219 640766209 /nfs/dbraw/zinc/76/62/09/640766209.db2.gz PWRXRIFGFXCQKT-STQMWFEESA-N 1 0 236.359 2.121 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2nc3ccccc3o2)C1 ZINC000227648265 640843357 /nfs/dbraw/zinc/84/33/57/640843357.db2.gz ZRIJQIOGSDRYKH-VHSXEESVSA-N 1 0 231.299 2.367 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCCC[C@@H]2CC ZINC000229219493 640934507 /nfs/dbraw/zinc/93/45/07/640934507.db2.gz AGBMEYGCEXBIEU-OBJOEFQTSA-N 1 0 239.359 2.356 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc([C@H]2CCCS2)no1 ZINC000087717078 640990502 /nfs/dbraw/zinc/99/05/02/640990502.db2.gz XDGKUZADTBRZIM-RKDXNWHRSA-N 1 0 241.360 2.164 10 0 BEAERO CCc1csc(NC2CCC([NH3+])CC2)n1 ZINC000061894258 641005150 /nfs/dbraw/zinc/00/51/50/641005150.db2.gz ZFEWMNCDBUUXJF-UHFFFAOYSA-N 1 0 225.361 2.387 10 0 BEAERO CCCCCC[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062114006 641021750 /nfs/dbraw/zinc/02/17/50/641021750.db2.gz FUCJNEPSGDIDOH-RYUDHWBXSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)o1 ZINC000230203209 641036193 /nfs/dbraw/zinc/03/61/93/641036193.db2.gz SDIQTTDHLSMAMX-GHMZBOCLSA-N 1 0 239.315 2.390 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000230418556 641053712 /nfs/dbraw/zinc/05/37/12/641053712.db2.gz IQCJUXIJVQHYQV-YPMHNXCESA-N 1 0 232.327 2.064 10 0 BEAERO Cc1ccc(N(C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000062912270 641107535 /nfs/dbraw/zinc/10/75/35/641107535.db2.gz FYRIHTHURBFBPX-AWEZNQCLSA-N 1 0 218.344 2.431 10 0 BEAERO Cc1cc(-c2nc([C@H](C)C[NH3+])no2)ccc1F ZINC000063058764 641123969 /nfs/dbraw/zinc/12/39/69/641123969.db2.gz DYIHIQMWLCRSFM-MRVPVSSYSA-N 1 0 235.262 2.246 10 0 BEAERO C(c1nc(C[C@H]2CCC[NH2+]C2)no1)C1CCCC1 ZINC000063084631 641127167 /nfs/dbraw/zinc/12/71/67/641127167.db2.gz WZLNGMGSIYILFB-GFCCVEGCSA-N 1 0 249.358 2.344 10 0 BEAERO c1csc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084715 641127986 /nfs/dbraw/zinc/12/79/86/641127986.db2.gz VCIPIYSSYNZQCR-SECBINFHSA-N 1 0 249.339 2.340 10 0 BEAERO CC1CCC(C[NH2+]CCc2ccnn2C)CC1 ZINC000231033078 641128025 /nfs/dbraw/zinc/12/80/25/641128025.db2.gz LFOKSPSMSIZTHJ-UHFFFAOYSA-N 1 0 235.375 2.379 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)O ZINC000088162552 641165210 /nfs/dbraw/zinc/16/52/10/641165210.db2.gz SSPRYUFBBIUFDJ-SRVKXCTJSA-N 1 0 207.317 2.415 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])Cc1nc([C@@H]2CC2(C)C)no1 ZINC000232565788 641300410 /nfs/dbraw/zinc/30/04/10/641300410.db2.gz YMRJNQRZWNCXEJ-IUCAKERBSA-N 1 0 237.347 2.499 10 0 BEAERO OC[C@H]1[NH2+]CCOc2c(Cl)cc(Cl)cc21 ZINC000675074456 641325794 /nfs/dbraw/zinc/32/57/94/641325794.db2.gz XQRODNOAWWGEMY-SECBINFHSA-N 1 0 248.109 2.009 10 0 BEAERO CCCc1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000043413881 641563672 /nfs/dbraw/zinc/56/36/72/641563672.db2.gz OGIHXXRMNUTGQW-UHFFFAOYSA-N 1 0 237.347 2.474 10 0 BEAERO Cc1ccccc1[C@@H](O)C[N@@H+](C)CC1CC1 ZINC000044161743 641587115 /nfs/dbraw/zinc/58/71/15/641587115.db2.gz GYJXBQKMBJXGCV-AWEZNQCLSA-N 1 0 219.328 2.370 10 0 BEAERO Cc1ccccc1[C@@H](O)C[N@H+]1CC[C@H](C)C1 ZINC000044162660 641589124 /nfs/dbraw/zinc/58/91/24/641589124.db2.gz NENWYEPCDHZCTH-FZMZJTMJSA-N 1 0 219.328 2.370 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1cc(C)c(C)cc1C ZINC000095638475 641597809 /nfs/dbraw/zinc/59/78/09/641597809.db2.gz SCVMLPZRJAKWCH-LBPRGKRZSA-N 1 0 221.300 2.175 10 0 BEAERO C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089385512 641674045 /nfs/dbraw/zinc/67/40/45/641674045.db2.gz XLGZMUKWXKZXEM-JHJVBQTASA-N 1 0 238.375 2.153 10 0 BEAERO CCCC[NH2+]C[C@@H](O)c1ccccc1OC ZINC000032014584 641711095 /nfs/dbraw/zinc/71/10/95/641711095.db2.gz MBWRBVFUSWHTQN-GFCCVEGCSA-N 1 0 223.316 2.118 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000049185472 641712649 /nfs/dbraw/zinc/71/26/49/641712649.db2.gz DBPUTHNUUAAJSS-UWVGGRQHSA-N 1 0 240.372 2.361 10 0 BEAERO CC1(C)C[C@H]1c1noc([C@H]2CCC[NH2+]2)n1 ZINC000232865708 641885359 /nfs/dbraw/zinc/88/53/59/641885359.db2.gz DHGBQOLPJJFHDA-JGVFFNPUSA-N 1 0 207.277 2.008 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1nc(Br)c[nH]1 ZINC000308136797 642405183 /nfs/dbraw/zinc/40/51/83/642405183.db2.gz OVCZLQACRIXCRH-ZETCQYMHSA-N 1 0 246.152 2.306 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000233403623 642667586 /nfs/dbraw/zinc/66/75/86/642667586.db2.gz FNDPHCXIDXYKGX-RYUDHWBXSA-N 1 0 211.349 2.460 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CC(C)(C)C[C@@H]2C ZINC000233706116 642689416 /nfs/dbraw/zinc/68/94/16/642689416.db2.gz CGGJEOJHWBVSAN-COPLHBTASA-N 1 0 239.359 2.211 10 0 BEAERO Cc1nonc1C[NH2+]CC1CCC(C)CC1 ZINC000069795230 642907363 /nfs/dbraw/zinc/90/73/63/642907363.db2.gz SLIPRZXXZDSGGT-UHFFFAOYSA-N 1 0 223.320 2.294 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CC[S@](C)=O)CC(C)(C)C1 ZINC000253199703 642947431 /nfs/dbraw/zinc/94/74/31/642947431.db2.gz WSJCJBARMXTTEG-ZETOZRRWSA-N 1 0 231.405 2.169 10 0 BEAERO CC(=O)[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000070045994 642962736 /nfs/dbraw/zinc/96/27/36/642962736.db2.gz IVMAZOFDELBTEH-GFCCVEGCSA-N 1 0 218.300 2.195 10 0 BEAERO CCO[C@@H]1CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000114729441 642963465 /nfs/dbraw/zinc/96/34/65/642963465.db2.gz CNPZKWLEJJZLEU-CYBMUJFWSA-N 1 0 241.375 2.183 10 0 BEAERO CCCc1noc([C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070501739 643031263 /nfs/dbraw/zinc/03/12/63/643031263.db2.gz KYXOFGDFIMSVFP-BDAKNGLRSA-N 1 0 209.293 2.007 10 0 BEAERO C[C@@H]([NH2+]CCCCCCCO)[C@@H]1CCCO1 ZINC000183198234 643094862 /nfs/dbraw/zinc/09/48/62/643094862.db2.gz ZHFKYYWYUYNBEI-OLZOCXBDSA-N 1 0 229.364 2.086 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccoc1 ZINC000252837270 643122767 /nfs/dbraw/zinc/12/27/67/643122767.db2.gz AXFFVPPIOYKLEX-KBPBESRZSA-N 1 0 234.343 2.338 10 0 BEAERO CC/C=C(/C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000254925467 643168450 /nfs/dbraw/zinc/16/84/50/643168450.db2.gz UCMHKOAXYLUQRU-FSBNRTBOSA-N 1 0 238.375 2.285 10 0 BEAERO CC[C@@H](C)C(=O)c1nc(C)c(C[NH2+]C)s1 ZINC000757122009 643239556 /nfs/dbraw/zinc/23/95/56/643239556.db2.gz DEQCDTQKVRSVAV-SSDOTTSWSA-N 1 0 226.345 2.400 10 0 BEAERO C[NH2+]Cc1sc([C@H](O)CC(C)C)nc1C ZINC000757132846 643259389 /nfs/dbraw/zinc/25/93/89/643259389.db2.gz USKDXTVITCMLGN-SECBINFHSA-N 1 0 228.361 2.250 10 0 BEAERO Cc1ccc([C@H]2C[C@@H]3CC[NH2+]C[C@@H]32)nc1 ZINC000757141953 643303955 /nfs/dbraw/zinc/30/39/55/643303955.db2.gz SREFEDAAWZLKSY-SRVKXCTJSA-N 1 0 202.301 2.103 10 0 BEAERO CC(C)[NH2+]CCc1nc(CC(C)(C)C)no1 ZINC000082673266 643365114 /nfs/dbraw/zinc/36/51/14/643365114.db2.gz JWQPPUQOUCULLF-UHFFFAOYSA-N 1 0 225.336 2.199 10 0 BEAERO C[C@@H]1CC[C@]2(C[C@H]1C)[NH2+]CCc1nc[nH]c12 ZINC000400462512 643388456 /nfs/dbraw/zinc/38/84/56/643388456.db2.gz OZIIPHASYPIVDQ-GIPNMCIBSA-N 1 0 219.332 2.207 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000307620729 643537593 /nfs/dbraw/zinc/53/75/93/643537593.db2.gz FQKQMRPMVCWWFR-UWVGGRQHSA-N 1 0 242.363 2.288 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000049948945 643565635 /nfs/dbraw/zinc/56/56/35/643565635.db2.gz AOOZRLBONFLWIS-STQMWFEESA-N 1 0 223.291 2.483 10 0 BEAERO CCN(C(=O)C[C@@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000049988956 643575315 /nfs/dbraw/zinc/57/53/15/643575315.db2.gz MJWVTSVEHLEEDP-ZDUSSCGKSA-N 1 0 246.354 2.490 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]CCOCCC(C)C ZINC000050372680 643632425 /nfs/dbraw/zinc/63/24/25/643632425.db2.gz XGNOOUZKCQSZLB-OLZOCXBDSA-N 1 0 229.364 2.206 10 0 BEAERO Nc1cccc([C@H]2CCn3cc[nH+]c3N2)c1 ZINC000236387097 643660416 /nfs/dbraw/zinc/66/04/16/643660416.db2.gz XFDGMNJEUSSGIF-LLVKDONJSA-N 1 0 214.272 2.022 10 0 BEAERO Cc1ccc(F)c(-c2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158521 643667543 /nfs/dbraw/zinc/66/75/43/643667543.db2.gz GOBIXZMAHNHZBP-QMMMGPOBSA-N 1 0 235.262 2.246 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000050372896 643693290 /nfs/dbraw/zinc/69/32/90/643693290.db2.gz SEUAPGWULGQCKM-QWHCGFSZSA-N 1 0 241.375 2.229 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000050372713 643693409 /nfs/dbraw/zinc/69/34/09/643693409.db2.gz IXXTXNOSZWPPDX-KBPBESRZSA-N 1 0 235.327 2.223 10 0 BEAERO CCN(CC)Cc1cnn(-c2ccccc2)n1 ZINC000060977923 643786075 /nfs/dbraw/zinc/78/60/75/643786075.db2.gz MXDUIGIUJCKKTE-UHFFFAOYSA-N 1 0 230.315 2.109 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1c1nc(CC(C)(C)C)no1 ZINC000086258850 643974411 /nfs/dbraw/zinc/97/44/11/643974411.db2.gz UQNYMIKIYNBBQX-DTWKUNHWSA-N 1 0 223.320 2.124 10 0 BEAERO C[C@H]1[NH2+]CC[C@@H]1c1nc(CC(C)(C)C)no1 ZINC000086258855 643975446 /nfs/dbraw/zinc/97/54/46/643975446.db2.gz UQNYMIKIYNBBQX-BDAKNGLRSA-N 1 0 223.320 2.124 10 0 BEAERO CCN(c1ncc(Cl)cc1F)[C@H]1CC[NH2+]C1 ZINC000086711232 644166326 /nfs/dbraw/zinc/16/63/26/644166326.db2.gz HILVBYXWQOMFOF-VIFPVBQESA-N 1 0 243.713 2.062 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1c1ccncc1Cl ZINC000086839842 644186352 /nfs/dbraw/zinc/18/63/52/644186352.db2.gz GHIARINGBIBDOH-SNVBAGLBSA-N 1 0 239.750 2.313 10 0 BEAERO OCCCCCC[NH2+]CCc1ccccc1 ZINC000083351597 644404492 /nfs/dbraw/zinc/40/44/92/644404492.db2.gz IKZFTUGMNKDIMR-UHFFFAOYSA-N 1 0 221.344 2.371 10 0 BEAERO Cc1cc(-c2nc([C@@H](C)C[NH3+])no2)sc1C ZINC000083631937 644406735 /nfs/dbraw/zinc/40/67/35/644406735.db2.gz RLMYDEXESWKVEW-ZETCQYMHSA-N 1 0 237.328 2.477 10 0 BEAERO CCOC(=O)C=C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000196889557 644425448 /nfs/dbraw/zinc/42/54/48/644425448.db2.gz WTNFOZHCSUJPTO-UHFFFAOYSA-N 1 0 225.332 2.417 10 0 BEAERO CCc1ccsc1-c1nc([C@H](C)C[NH3+])no1 ZINC000087017556 644475598 /nfs/dbraw/zinc/47/55/98/644475598.db2.gz ARONJZXRDOMGMG-SSDOTTSWSA-N 1 0 237.328 2.423 10 0 BEAERO CCCCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087122987 644478554 /nfs/dbraw/zinc/47/85/54/644478554.db2.gz DYNKXJTVNWDYGE-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO CC(C)[C@@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087221872 644482651 /nfs/dbraw/zinc/48/26/51/644482651.db2.gz BWUPXDSITFVDFK-UTUOFQBUSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000685951913 644518699 /nfs/dbraw/zinc/51/86/99/644518699.db2.gz ZAVXHTSGWWHUDN-ZUWCUPBKSA-N 1 0 224.392 2.493 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1 ZINC000089385674 644546498 /nfs/dbraw/zinc/54/64/98/644546498.db2.gz UBRDVZFIEITCKD-KGLIPLIRSA-N 1 0 246.354 2.068 10 0 BEAERO CCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089388539 644548900 /nfs/dbraw/zinc/54/89/00/644548900.db2.gz AXDOQLYNVBQGMG-CHWSQXEVSA-N 1 0 240.391 2.448 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccoc1)CC2 ZINC000093585962 644695798 /nfs/dbraw/zinc/69/57/98/644695798.db2.gz RNZQDLXWLBFAHO-KGLIPLIRSA-N 1 0 235.327 2.407 10 0 BEAERO Cc1cscc1-c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000094862758 644731607 /nfs/dbraw/zinc/73/16/07/644731607.db2.gz USGGUAOTACYAEJ-VXNVDRBHSA-N 1 0 249.339 2.429 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000250796944 644780170 /nfs/dbraw/zinc/78/01/70/644780170.db2.gz BESZZHOUVWBEIK-RWMBFGLXSA-N 1 0 240.391 2.460 10 0 BEAERO [NH3+]CC[C@H]1CN(C[C@H]2CCCO2)c2ccccc21 ZINC000250854449 644783377 /nfs/dbraw/zinc/78/33/77/644783377.db2.gz OTRZTYLMGUMAKT-QWHCGFSZSA-N 1 0 246.354 2.118 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000096170921 644800493 /nfs/dbraw/zinc/80/04/93/644800493.db2.gz VFSBAAAALZTUNU-NEPJUHHUSA-N 1 0 233.311 2.200 10 0 BEAERO CCC/C=C\C[NH+]1CCC(CC(=O)NC)CC1 ZINC000096714143 644833182 /nfs/dbraw/zinc/83/31/82/644833182.db2.gz WQWIYQRWQWZCEG-WAYWQWQTSA-N 1 0 238.375 2.191 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252159841 644838419 /nfs/dbraw/zinc/83/84/19/644838419.db2.gz PRNBUQSFSVHELB-GRYCIOLGSA-N 1 0 209.333 2.476 10 0 BEAERO CC(C)(C)Cc1noc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000096877082 644844260 /nfs/dbraw/zinc/84/42/60/644844260.db2.gz DGXYWZKYDACGCZ-JTQLQIEISA-N 1 0 237.347 2.343 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757123239 644864164 /nfs/dbraw/zinc/86/41/64/644864164.db2.gz ABEOGXPKNRLEJC-CQSZACIVSA-N 1 0 222.376 2.203 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc(O)cc3)no2)C1 ZINC000097067691 644867672 /nfs/dbraw/zinc/86/76/72/644867672.db2.gz RPLGFFDQXASRBF-NXEZZACHSA-N 1 0 245.282 2.037 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@@H]1C ZINC000304165987 644873659 /nfs/dbraw/zinc/87/36/59/644873659.db2.gz JIMCUJOJVXXIST-RWMBFGLXSA-N 1 0 241.375 2.410 10 0 BEAERO CC1(O)CC[NH+](CCSC(F)(F)F)CC1 ZINC000123709441 645921048 /nfs/dbraw/zinc/92/10/48/645921048.db2.gz XKPDZXWMVMIFQP-UHFFFAOYSA-N 1 0 243.294 2.086 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C[C@H](C)O1 ZINC000724269068 711573201 /nfs/dbraw/zinc/57/32/01/711573201.db2.gz QWPQQDIKCQEISK-CRWXNKLISA-N 1 0 239.359 2.472 10 0 BEAERO Cc1cccc(N(C)CCCCCC[NH3+])n1 ZINC000710757977 712256582 /nfs/dbraw/zinc/25/65/82/712256582.db2.gz IMWIVLQLBOSIRX-UHFFFAOYSA-N 1 0 221.348 2.345 10 0 BEAERO C[NH2+]CCc1noc(-c2cscc2Cl)n1 ZINC000711557125 712309288 /nfs/dbraw/zinc/30/92/88/712309288.db2.gz WJXNDSUQJULAKI-UHFFFAOYSA-N 1 0 243.719 2.213 10 0 BEAERO C[C@@H]([NH2+]CCOC1CC1)c1cccc(O)c1 ZINC000711655645 712315176 /nfs/dbraw/zinc/31/51/76/712315176.db2.gz FMTGKZCDGHLNQE-SNVBAGLBSA-N 1 0 221.300 2.222 10 0 BEAERO C[C@H](C[N@H+](C)[C@@H](CN)C1CC1)C(C)(C)C ZINC000379779776 712398793 /nfs/dbraw/zinc/39/87/93/712398793.db2.gz BSGWSJISSZQMNN-PWSUYJOCSA-N 1 0 212.381 2.338 10 0 BEAERO C=C/C=C/CC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000713746311 712471146 /nfs/dbraw/zinc/47/11/46/712471146.db2.gz MOAPLIBOXJKBJQ-ITKZLYELSA-N 1 0 223.316 2.146 10 0 BEAERO COCC1CC([NH2+]Cc2occc2C)C1 ZINC000713996780 712476836 /nfs/dbraw/zinc/47/68/36/712476836.db2.gz QBHDZVWUAIJLQM-UHFFFAOYSA-N 1 0 209.289 2.103 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2cscn2)C1 ZINC000714006160 712477152 /nfs/dbraw/zinc/47/71/52/712477152.db2.gz GBMJECLKBMVZEH-XNWIYYODSA-N 1 0 226.345 2.219 10 0 BEAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(COC)C2)C1(C)C ZINC000713959524 712475172 /nfs/dbraw/zinc/47/51/72/712475172.db2.gz MUVYCWPPYOQAAG-FIYWTHMPSA-N 1 0 241.375 2.205 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000713958694 712475178 /nfs/dbraw/zinc/47/51/78/712475178.db2.gz IBOWDGDQAOKKLM-FKZOYECMSA-N 1 0 241.375 2.205 10 0 BEAERO C[NH2+]CCc1noc([C@H]2CCCC[C@@H]2C)n1 ZINC000714451062 712490018 /nfs/dbraw/zinc/49/00/18/712490018.db2.gz QKHQCAQMYPSKSV-UWVGGRQHSA-N 1 0 223.320 2.125 10 0 BEAERO CCCCC[C@@H](C)NC(=O)[C@H]([NH3+])CCC ZINC000036873376 712506791 /nfs/dbraw/zinc/50/67/91/712506791.db2.gz CTTXLIRDCFOXEJ-GHMZBOCLSA-N 1 0 214.353 2.199 10 0 BEAERO CCC(CC)(CC)C[NH2+]C1CC(C(N)=O)C1 ZINC000716684524 712570091 /nfs/dbraw/zinc/57/00/91/712570091.db2.gz OJLTTZUSYPNASC-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO CCC[C@@H]([NH2+]C1CC(C(N)=O)C1)C1CCCC1 ZINC000716705494 712570236 /nfs/dbraw/zinc/57/02/36/712570236.db2.gz JTYWDVXEIVNAKJ-WXRRBKDZSA-N 1 0 238.375 2.199 10 0 BEAERO CN(CCC[NH2+]C1CC1)Cc1cccc(F)c1 ZINC000037613615 712679224 /nfs/dbraw/zinc/67/92/24/712679224.db2.gz DSJHXCWGEGYCII-UHFFFAOYSA-N 1 0 236.334 2.400 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000718792799 712783874 /nfs/dbraw/zinc/78/38/74/712783874.db2.gz VADMOLNNVXAUQX-RQJABVFESA-N 1 0 241.375 2.491 10 0 BEAERO CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCCCC1(C)C ZINC000719222589 712800682 /nfs/dbraw/zinc/80/06/82/712800682.db2.gz CKOZMMKOERVBDW-NEPJUHHUSA-N 1 0 240.391 2.460 10 0 BEAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719236298 712800812 /nfs/dbraw/zinc/80/08/12/712800812.db2.gz JRZAFCPBPWVGNZ-GHMZBOCLSA-N 1 0 226.364 2.199 10 0 BEAERO CC[C@@H](C[NH2+][C@H](C)c1cn(C)nn1)CC(F)F ZINC000720522813 712848743 /nfs/dbraw/zinc/84/87/43/712848743.db2.gz GPFGGWGYHOQCMJ-RKDXNWHRSA-N 1 0 246.305 2.147 10 0 BEAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1CCCO ZINC000723116924 710726943 /nfs/dbraw/zinc/72/69/43/710726943.db2.gz WQFKEYKXQNUTHU-AGIUHOORSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1cnc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)c(C)c1 ZINC000724071870 710736867 /nfs/dbraw/zinc/73/68/67/710736867.db2.gz FBPYDDUBKYUGII-KGLIPLIRSA-N 1 0 245.370 2.058 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724273583 710737939 /nfs/dbraw/zinc/73/79/39/710737939.db2.gz CIYQXGQALSWIGH-XVIXHAIJSA-N 1 0 241.375 2.347 10 0 BEAERO C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)C(C)(C)C1 ZINC000380533925 712901331 /nfs/dbraw/zinc/90/13/31/712901331.db2.gz DDNLDRIQMSBJIY-VOMCLLRMSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]([NH3+])CN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000380498596 712901387 /nfs/dbraw/zinc/90/13/87/712901387.db2.gz AOYSBZNEVONRNA-ZETCQYMHSA-N 1 0 243.694 2.032 10 0 BEAERO COC1CC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711119774 711457151 /nfs/dbraw/zinc/45/71/51/711457151.db2.gz PAPPQQVQVDFOOS-JSEMBRAVSA-N 1 0 209.333 2.332 10 0 BEAERO CC(C)OC[C@@H](O)C[NH2+]CC1CCC(C)CC1 ZINC000058864666 711499080 /nfs/dbraw/zinc/49/90/80/711499080.db2.gz RJGSVIFHLCLRTI-RUXDESIVSA-N 1 0 243.391 2.188 10 0 BEAERO Cc1cn(C)nc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000723515441 711514750 /nfs/dbraw/zinc/51/47/50/711514750.db2.gz PSGKEWNKKIZFIH-QJPTWQEYSA-N 1 0 219.332 2.007 10 0 BEAERO Cc1c[nH+]ccc1N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723870046 711541038 /nfs/dbraw/zinc/54/10/38/711541038.db2.gz XBILHJZVWJJPDY-UKRRQHHQSA-N 1 0 246.354 2.429 10 0 BEAERO C[C@@H]1CN(c2ccncc2Cl)C[C@H]1CC[NH3+] ZINC000723885754 711543379 /nfs/dbraw/zinc/54/33/79/711543379.db2.gz ARJCFPIBWCUMJY-NXEZZACHSA-N 1 0 239.750 2.156 10 0 BEAERO CC[C@H]([NH2+]CC1CC(OC)C1)[C@H]1CCCOC1 ZINC000723954304 711546812 /nfs/dbraw/zinc/54/68/12/711546812.db2.gz HVCQUIVLGIDYNW-YIOUJQMASA-N 1 0 241.375 2.206 10 0 BEAERO CC[C@@H]1COC[C@H]1[NH2+]Cc1ncc(C)cc1C ZINC000724097954 711560547 /nfs/dbraw/zinc/56/05/47/711560547.db2.gz NMJMLJDVRWQTNY-TZMCWYRMSA-N 1 0 234.343 2.213 10 0 BEAERO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000724190001 711567600 /nfs/dbraw/zinc/56/76/00/711567600.db2.gz WGZHDJVRVPRDEK-ZNMIVQPWSA-N 1 0 249.354 2.003 10 0 BEAERO COc1c(C[NH2+]CCC2CC=CC2)c(C)nn1C ZINC000724205586 711569522 /nfs/dbraw/zinc/56/95/22/711569522.db2.gz QFPPPRIXXDQKNP-UHFFFAOYSA-N 1 0 249.358 2.183 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)[C@H]1CC1(C)C ZINC000724872828 711621875 /nfs/dbraw/zinc/62/18/75/711621875.db2.gz RCVJMIDKXFBZPH-FDYHWXHSSA-N 1 0 241.375 2.205 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])CC(=O)NCC1CCCCC1 ZINC000136803893 711747209 /nfs/dbraw/zinc/74/72/09/711747209.db2.gz VCSHNSPUTMKGJE-LBPRGKRZSA-N 1 0 240.391 2.446 10 0 BEAERO Cc1csc2c1ncnc2N[C@@H]1C[NH2+]C[C@H]1C ZINC000721858600 711791789 /nfs/dbraw/zinc/79/17/89/711791789.db2.gz DTYDCGXKJDLBGU-VXNVDRBHSA-N 1 0 248.355 2.020 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721873772 711793829 /nfs/dbraw/zinc/79/38/29/711793829.db2.gz OZWPYCMXDIOUCY-GFCCVEGCSA-N 1 0 248.374 2.318 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1Nc1ccnc2ncccc12 ZINC000721974233 711855039 /nfs/dbraw/zinc/85/50/39/711855039.db2.gz LIBLPMQBGZSCPB-LBPRGKRZSA-N 1 0 242.326 2.040 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)[C@H](C)O ZINC000360996891 711978746 /nfs/dbraw/zinc/97/87/46/711978746.db2.gz LYIUJXGHMIDHNA-BFVZDQMLSA-N 1 0 235.327 2.129 10 0 BEAERO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cn[nH]c1 ZINC000134003465 711981916 /nfs/dbraw/zinc/98/19/16/711981916.db2.gz GIVSGMCLMYYNNJ-CYBMUJFWSA-N 1 0 231.274 2.326 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@H](C)C2CCCC2)n1 ZINC000700466586 711993381 /nfs/dbraw/zinc/99/33/81/711993381.db2.gz WOIMZPKHJFZXES-SNVBAGLBSA-N 1 0 235.331 2.159 10 0 BEAERO CCC(C)(C)[C@@H](C)[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700480751 711994519 /nfs/dbraw/zinc/99/45/19/711994519.db2.gz UYQFVBZKMZQBQW-SNVBAGLBSA-N 1 0 237.347 2.405 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2C=CCC2)[C@H]2CCO[C@H]21 ZINC000700502738 711995332 /nfs/dbraw/zinc/99/53/32/711995332.db2.gz MXGXZXVUUOTTRF-DDHJBXDOSA-N 1 0 207.317 2.108 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCC[C@@H]2C)n1 ZINC000700465627 711995795 /nfs/dbraw/zinc/99/57/95/711995795.db2.gz FGBUDKLGDKCGBF-ONGXEEELSA-N 1 0 235.331 2.159 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCC[C@@H]2C)n1 ZINC000700465612 711995877 /nfs/dbraw/zinc/99/58/77/711995877.db2.gz FGBUDKLGDKCGBF-GXSJLCMTSA-N 1 0 235.331 2.159 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCC[C@H]2C)n1 ZINC000700465623 711995919 /nfs/dbraw/zinc/99/59/19/711995919.db2.gz FGBUDKLGDKCGBF-MWLCHTKSSA-N 1 0 235.331 2.159 10 0 BEAERO Cc1cc2c(ncnc2N[C@@H]2CC[NH2+][C@H]2C)s1 ZINC000700746286 712005003 /nfs/dbraw/zinc/00/50/03/712005003.db2.gz DRBVAIIUIMPBPK-WCBMZHEXSA-N 1 0 248.355 2.162 10 0 BEAERO C(C1CC2(CCC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000700873033 712009708 /nfs/dbraw/zinc/00/97/08/712009708.db2.gz YVZFGTXIHOEOLC-CQSZACIVSA-N 1 0 234.387 2.347 10 0 BEAERO CC1(C)C[C@H]1c1noc(C2=CC[C@H]([NH3+])C2)n1 ZINC000702225918 712043312 /nfs/dbraw/zinc/04/33/12/712043312.db2.gz DEACBAALYGMPEV-IUCAKERBSA-N 1 0 219.288 2.088 10 0 BEAERO CC1(C)C[C@@H]1c1noc(C2=CC[C@@H]([NH3+])C2)n1 ZINC000702225919 712043441 /nfs/dbraw/zinc/04/34/41/712043441.db2.gz DEACBAALYGMPEV-RKDXNWHRSA-N 1 0 219.288 2.088 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@]1(C)CC1(C)C ZINC000702339586 712047516 /nfs/dbraw/zinc/04/75/16/712047516.db2.gz SMGITSBKXINDOD-GXTWGEPZSA-N 1 0 243.391 2.190 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705553844 712132490 /nfs/dbraw/zinc/13/24/90/712132490.db2.gz GNLYZDGRNFBGFQ-BQBZGAKWSA-N 1 0 249.688 2.477 10 0 BEAERO [NH3+]Cc1cccc2c1N(C[C@@H]1CCCO1)CCC2 ZINC000705777546 712137248 /nfs/dbraw/zinc/13/72/48/712137248.db2.gz YDAGMJIGEXEFMK-AWEZNQCLSA-N 1 0 246.354 2.077 10 0 BEAERO O[C@@H](C[N@@H+]1C[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000706782489 712155460 /nfs/dbraw/zinc/15/54/60/712155460.db2.gz BKLGRIJUNVIROX-MJBXVCDLSA-N 1 0 217.312 2.204 10 0 BEAERO CSC1CC([NH2+]Cc2cc(C)ns2)C1 ZINC000706802066 712155917 /nfs/dbraw/zinc/15/59/17/712155917.db2.gz BZTGUXVULBJKLB-UHFFFAOYSA-N 1 0 228.386 2.435 10 0 BEAERO CCCCCCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708842606 712200740 /nfs/dbraw/zinc/20/07/40/712200740.db2.gz ZNDYGDNGFFJHRV-NWDGAFQWSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)[C@@H](C)N1CCc2sc(C[NH3+])nc2C1 ZINC000709698016 712216158 /nfs/dbraw/zinc/21/61/58/712216158.db2.gz VMQRLIAPZTYLTQ-SECBINFHSA-N 1 0 239.388 2.004 10 0 BEAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1Cl)C2 ZINC000709798282 712227192 /nfs/dbraw/zinc/22/71/92/712227192.db2.gz HAMDCYNPBQJIJJ-GUBZILKMSA-N 1 0 237.734 2.051 10 0 BEAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ccncc1Cl)C2 ZINC000709797527 712227449 /nfs/dbraw/zinc/22/74/49/712227449.db2.gz CCODXISYWPCKLA-GUBZILKMSA-N 1 0 237.734 2.051 10 0 BEAERO CC1(C)C[C@H]1c1noc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000711089119 712279718 /nfs/dbraw/zinc/27/97/18/712279718.db2.gz FJKUFVQZURXZDG-DTWKUNHWSA-N 1 0 235.331 2.296 10 0 BEAERO CC(C)[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711403979 712297779 /nfs/dbraw/zinc/29/77/79/712297779.db2.gz IRGSDGLZGZPISM-UHFFFAOYSA-N 1 0 242.363 2.288 10 0 BEAERO C[C@H](CN1C[C@@H](F)C[C@H]1C[NH3+])C(C)(C)C ZINC000378719081 712358076 /nfs/dbraw/zinc/35/80/76/712358076.db2.gz DUZSXMMTJBXQKJ-VWYCJHECSA-N 1 0 216.344 2.040 10 0 BEAERO C[C@H]([NH2+][C@@H]1COc2ccccc21)[C@H]1CCCO1 ZINC000379765557 712398052 /nfs/dbraw/zinc/39/80/52/712398052.db2.gz IHNWKWIMOKRYGR-CYZMBNFOSA-N 1 0 233.311 2.277 10 0 BEAERO COC1CC(COc2ccc3c(c2)C[NH2+]C3)C1 ZINC000713093010 712452331 /nfs/dbraw/zinc/45/23/31/712452331.db2.gz NHQSWGBHVGTUQI-UHFFFAOYSA-N 1 0 233.311 2.094 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713097937 712452425 /nfs/dbraw/zinc/45/24/25/712452425.db2.gz GHRYYGJNWRQESC-GRYCIOLGSA-N 1 0 240.391 2.301 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000713525622 712464293 /nfs/dbraw/zinc/46/42/93/712464293.db2.gz FFBCVGJRKGWFTG-RYUDHWBXSA-N 1 0 243.391 2.188 10 0 BEAERO COCC1CC([NH2+]Cc2ccccc2OC)C1 ZINC000713934618 712473766 /nfs/dbraw/zinc/47/37/66/712473766.db2.gz GKZLKLNIPZDUDE-UHFFFAOYSA-N 1 0 235.327 2.210 10 0 BEAERO COCC1CC([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000713958192 712474999 /nfs/dbraw/zinc/47/49/99/712474999.db2.gz FXZOMZLOKPLWES-UHFFFAOYSA-N 1 0 241.281 2.479 10 0 BEAERO C[NH2+]CCc1noc([C@@H]2CCCC[C@H]2C)n1 ZINC000714451061 712490071 /nfs/dbraw/zinc/49/00/71/712490071.db2.gz QKHQCAQMYPSKSV-NXEZZACHSA-N 1 0 223.320 2.125 10 0 BEAERO CCC1([NH3+])CCN(c2cc(C(C)C)ncn2)CC1 ZINC000714753092 712497050 /nfs/dbraw/zinc/49/70/50/712497050.db2.gz TVVUUWFELPWTBZ-UHFFFAOYSA-N 1 0 248.374 2.308 10 0 BEAERO CCc1nc(C)cc(N2CCC([NH3+])(CC)CC2)n1 ZINC000714752636 712497297 /nfs/dbraw/zinc/49/72/97/712497297.db2.gz IONYHHUNZKKFKD-UHFFFAOYSA-N 1 0 248.374 2.055 10 0 BEAERO CCC1([NH3+])CCN([C@H](C)c2cncs2)CC1 ZINC000714759585 712497712 /nfs/dbraw/zinc/49/77/12/712497712.db2.gz VBKUUGQUOOURIO-SNVBAGLBSA-N 1 0 239.388 2.407 10 0 BEAERO CCC1([NH3+])CCN([C@H](C)c2cscn2)CC1 ZINC000714756330 712497881 /nfs/dbraw/zinc/49/78/81/712497881.db2.gz CHKNVVOEQVDPTK-SNVBAGLBSA-N 1 0 239.388 2.407 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715535697 712526655 /nfs/dbraw/zinc/52/66/55/712526655.db2.gz QVQCNOSAPNEUOB-GHYVTOPFSA-N 1 0 223.360 2.268 10 0 BEAERO C[C@@H]([NH2+]CC1CC2(CCC2)C1)c1cn(C)nn1 ZINC000715935960 712544371 /nfs/dbraw/zinc/54/43/71/712544371.db2.gz AWBMZRVNGLMFQF-SNVBAGLBSA-N 1 0 234.347 2.046 10 0 BEAERO CC1(C)CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716683184 712569749 /nfs/dbraw/zinc/56/97/49/712569749.db2.gz GWQVCLCFKUKELW-MOENNCHZSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CC(C)(C)C1 ZINC000716682259 712569759 /nfs/dbraw/zinc/56/97/59/712569759.db2.gz AWENPLUOTKRPEG-YYJSSNLHSA-N 1 0 238.375 2.055 10 0 BEAERO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716685715 712569769 /nfs/dbraw/zinc/56/97/69/712569769.db2.gz UPHKAQWXYFBQGK-GMKTYKIGSA-N 1 0 238.375 2.055 10 0 BEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716686458 712570186 /nfs/dbraw/zinc/57/01/86/712570186.db2.gz YPYYGYXOZNZEDP-IFWUJCSASA-N 1 0 238.375 2.055 10 0 BEAERO Cc1ccc(C)c([C@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716723885 712571043 /nfs/dbraw/zinc/57/10/43/712571043.db2.gz SKDCNDGCTLYQJT-HIFPTAJRSA-N 1 0 246.354 2.218 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)c2ccccc21 ZINC000716724160 712571293 /nfs/dbraw/zinc/57/12/93/712571293.db2.gz SQSWCERRFMERIF-YGKZZAKBSA-N 1 0 244.338 2.088 10 0 BEAERO CC1(C)CO[C@@H](CC[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000717274639 712641665 /nfs/dbraw/zinc/64/16/65/712641665.db2.gz STCFDQQOEPNJKH-YNEHKIRRSA-N 1 0 241.375 2.085 10 0 BEAERO CS[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000380003920 712651884 /nfs/dbraw/zinc/65/18/84/712651884.db2.gz KRSBTSKVLTVDCH-GMTAPVOTSA-N 1 0 231.405 2.267 10 0 BEAERO C[C@H](CO)CCC[NH2+]CCc1ccccc1 ZINC000221249659 712658756 /nfs/dbraw/zinc/65/87/56/712658756.db2.gz YPHBEOSSCAFJFH-ZDUSSCGKSA-N 1 0 221.344 2.227 10 0 BEAERO O[C@@H]1CCC[C@H](C[NH2+]C2(C3CC3)CCC2)C1 ZINC000717885781 712731315 /nfs/dbraw/zinc/73/13/15/712731315.db2.gz XMDDPYOUMSFWHS-WCQYABFASA-N 1 0 223.360 2.460 10 0 BEAERO CC1CCC(C[NH2+][C@]23C[C@H]2COC3)CC1 ZINC000718027781 712736653 /nfs/dbraw/zinc/73/66/53/712736653.db2.gz KJRVXRCIHLKHAL-TYUFSLCMSA-N 1 0 209.333 2.191 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccnc2ncccc12 ZINC000718930726 712788799 /nfs/dbraw/zinc/78/87/99/712788799.db2.gz QGUMNHMUTHHEAF-GWCFXTLKSA-N 1 0 242.326 2.040 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000719224403 712800615 /nfs/dbraw/zinc/80/06/15/712800615.db2.gz HLTGRUUNAQQKTD-CHWSQXEVSA-N 1 0 241.375 2.350 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000719222815 712800734 /nfs/dbraw/zinc/80/07/34/712800734.db2.gz DGIPBTCXDQDYBO-OCCSQVGLSA-N 1 0 241.375 2.086 10 0 BEAERO CCC1CCC(NC(=O)CCCC[NH2+]C)CC1 ZINC000719701806 712821942 /nfs/dbraw/zinc/82/19/42/712821942.db2.gz WBGJRCGMFYYUPL-UHFFFAOYSA-N 1 0 240.391 2.461 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nocc1C ZINC000720365996 712836002 /nfs/dbraw/zinc/83/60/02/712836002.db2.gz GJYVBCXZDQNBAS-OLZOCXBDSA-N 1 0 249.358 2.042 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1cn(C)nn1 ZINC000720591570 712856013 /nfs/dbraw/zinc/85/60/13/712856013.db2.gz PHFLAFQBWKVFEO-NOOOWODRSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@@H]([NH2+][C@H]1C=CCCCCC1)c1cn(C)nn1 ZINC000720595219 712856458 /nfs/dbraw/zinc/85/64/58/712856458.db2.gz JUIUYZXMRBPONE-NEPJUHHUSA-N 1 0 234.347 2.355 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)c1cn(C)nn1 ZINC000720602213 712857498 /nfs/dbraw/zinc/85/74/98/712857498.db2.gz KKEDXONMLJJDPQ-UHTWSYAYSA-N 1 0 248.374 2.435 10 0 BEAERO C[NH2+]CCN(c1nc2ccccc2o1)C(C)C ZINC000720775587 712864579 /nfs/dbraw/zinc/86/45/79/712864579.db2.gz HQUPAUFDHDVVLG-UHFFFAOYSA-N 1 0 233.315 2.262 10 0 BEAERO C[NH2+]CCN(c1ccncc1Cl)C(C)C ZINC000720826328 712868727 /nfs/dbraw/zinc/86/87/27/712868727.db2.gz LWZMHLLZCJXEMU-UHFFFAOYSA-N 1 0 227.739 2.169 10 0 BEAERO C[C@H](C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)C(C)(C)C ZINC000720932634 712879930 /nfs/dbraw/zinc/87/99/30/712879930.db2.gz WPTAARIXFWXDNM-FRRDWIJNSA-N 1 0 224.392 2.495 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000721166872 712894128 /nfs/dbraw/zinc/89/41/28/712894128.db2.gz KIEGLSIPOXNAQY-YVECIDJPSA-N 1 0 227.348 2.101 10 0 BEAERO CCc1ccccc1C[NH2+]C1(CO)CCC1 ZINC000129423755 1166184989 /nfs/dbraw/zinc/18/49/89/1166184989.db2.gz FKWMLFVCXHZQRM-UHFFFAOYSA-N 1 0 219.328 2.254 10 0 BEAERO C(C[NH2+][C@H]1CCSC1)C[C@H]1CCCCO1 ZINC000135016964 1168262809 /nfs/dbraw/zinc/26/28/09/1168262809.db2.gz IGXYSYGWTZQUKF-NWDGAFQWSA-N 1 0 229.389 2.431 10 0 BEAERO CC1(C)C[C@H](Nc2cc[nH+]cc2)CCO1 ZINC000215392855 971373322 /nfs/dbraw/zinc/37/33/22/971373322.db2.gz FLJSJTMZWVLOON-LLVKDONJSA-N 1 0 206.289 2.451 10 0 BEAERO CC(C)Cn1nc(-c2cccnc2)cc1C[NH3+] ZINC000409443951 958236073 /nfs/dbraw/zinc/23/60/73/958236073.db2.gz XGXYJWRHTMXRDB-UHFFFAOYSA-N 1 0 230.315 2.060 10 0 BEAERO C[C@@H]1CC[C@](CO)([N@H+](C)C/C=C\Cl)C1 ZINC000588527977 958958265 /nfs/dbraw/zinc/95/82/65/958958265.db2.gz QPTUBHFSAIHZHB-APUFIWCYSA-N 1 0 217.740 2.222 10 0 BEAERO Cc1nc(C[NH2+]C(C)(C)[C@@H](C)O)sc1C ZINC000128295092 964620764 /nfs/dbraw/zinc/62/07/64/964620764.db2.gz NQQMTJWVUVKPAR-SECBINFHSA-N 1 0 228.361 2.009 10 0 BEAERO c1cc2c(c(CNc3cc[nH+]cc3)c1)OCO2 ZINC000040667719 1171146166 /nfs/dbraw/zinc/14/61/66/1171146166.db2.gz VOFLZEIMNYKUEJ-UHFFFAOYSA-N 1 0 228.251 2.422 10 0 BEAERO Nc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043423591 1171287183 /nfs/dbraw/zinc/28/71/83/1171287183.db2.gz DJCCSNZPTDHEGK-KBPBESRZSA-N 1 0 232.327 2.022 10 0 BEAERO COc1ccccc1C[NH2+]C[C@@H]1CCCCN1C ZINC000044561934 1171391877 /nfs/dbraw/zinc/39/18/77/1171391877.db2.gz IZZPCQATYGBOLA-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CC(C)C[C@H](C)[NH2+]C[C@@H]1CCCCN1C ZINC000044561880 1171391306 /nfs/dbraw/zinc/39/13/06/1171391306.db2.gz OAHCZRYJVNZRFH-STQMWFEESA-N 1 0 212.381 2.495 10 0 BEAERO CCC(CC)C[NH2+]C[C@@H]1CCCCN1C ZINC000044562006 1171393085 /nfs/dbraw/zinc/39/30/85/1171393085.db2.gz RRJHDLCDVCGERL-ZDUSSCGKSA-N 1 0 212.381 2.497 10 0 BEAERO CC(C)CC[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000047848565 1171571315 /nfs/dbraw/zinc/57/13/15/1171571315.db2.gz KBZNNHSUPPKXAJ-MELADBBJSA-N 1 0 242.407 2.120 10 0 BEAERO Cc1n[nH]cc1CCCNc1cc[nH+]cc1 ZINC000050182985 1171773556 /nfs/dbraw/zinc/77/35/56/1171773556.db2.gz SEBQHOVLTWJKFL-UHFFFAOYSA-N 1 0 216.288 2.158 10 0 BEAERO CCc1ccccc1C[NH2+]CCN1CCCC1 ZINC000052200392 1171948622 /nfs/dbraw/zinc/94/86/22/1171948622.db2.gz CVPOUUZNSUMVFM-UHFFFAOYSA-N 1 0 232.371 2.434 10 0 BEAERO CCc1ccccc1C[NH2+]C[C@H]1CCOC1 ZINC000052202810 1171947411 /nfs/dbraw/zinc/94/74/11/1171947411.db2.gz IVBHFGFXGQJOKD-GFCCVEGCSA-N 1 0 219.328 2.375 10 0 BEAERO C[C@H]1CCCC[C@H]1OCC(F)(F)C[NH3+] ZINC000685956496 538902998 /nfs/dbraw/zinc/90/29/98/538902998.db2.gz VOGUYJIVHGPBRE-DTWKUNHWSA-N 1 0 207.264 2.176 10 0 BEAERO CC[C@]1(C(=O)OC(C)(C)C)C[C@@H](C)C[C@H]1[NH3+] ZINC000685959260 538906632 /nfs/dbraw/zinc/90/66/32/538906632.db2.gz LLCVERXTXJBKNS-CWSCBRNRSA-N 1 0 227.348 2.482 10 0 BEAERO Cc1cc(C[NH3+])nc(C(Cl)(Cl)Cl)n1 ZINC000685959932 538907208 /nfs/dbraw/zinc/90/72/08/538907208.db2.gz VRZVTQGUIYGYHC-UHFFFAOYSA-N 1 0 240.521 2.070 10 0 BEAERO CC(C)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685960332 538907841 /nfs/dbraw/zinc/90/78/41/538907841.db2.gz FXJVFWVGVTWPRT-UHFFFAOYSA-N 1 0 205.301 2.391 10 0 BEAERO CC(C)[C@]1(CO)C[C@@H]1C[NH+]1CCC(C)CC1 ZINC000685961177 538908113 /nfs/dbraw/zinc/90/81/13/538908113.db2.gz PBTMDGMUVIUFLM-ZIAGYGMSSA-N 1 0 225.376 2.373 10 0 BEAERO CC(C)C1([N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000685961310 538908316 /nfs/dbraw/zinc/90/83/16/538908316.db2.gz QCVONKCUUKOXPW-ZDUSSCGKSA-N 1 0 224.392 2.497 10 0 BEAERO CC[C@H](C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961402 538908620 /nfs/dbraw/zinc/90/86/20/538908620.db2.gz HPZTZJKEQFPDGX-JSGCOSHPSA-N 1 0 248.370 2.061 10 0 BEAERO CC[C@@H](C)[NH2+]CC1(CCOC)CCOCC1 ZINC000685961748 538908656 /nfs/dbraw/zinc/90/86/56/538908656.db2.gz WAMOZIJCFWHLGB-GFCCVEGCSA-N 1 0 229.364 2.208 10 0 BEAERO COCCC[NH2+]C[C@H](C)CC(C)(C)OC ZINC000685961987 538909287 /nfs/dbraw/zinc/90/92/87/538909287.db2.gz ZZXKSEXAOINUGN-LLVKDONJSA-N 1 0 217.353 2.064 10 0 BEAERO C[C@@H](COCc1ccccc1)CC(=O)[C@H](C)[NH3+] ZINC000685962723 538909772 /nfs/dbraw/zinc/90/97/72/538909772.db2.gz RKJNCTHFOIQXTG-NEPJUHHUSA-N 1 0 235.327 2.146 10 0 BEAERO CC[NH2+]CC(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962819 538909880 /nfs/dbraw/zinc/90/98/80/538909880.db2.gz WHRXGGMPUGRWQC-CYBMUJFWSA-N 1 0 249.354 2.408 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@@H]1CCCC(C)(C)C1 ZINC000685963075 538910051 /nfs/dbraw/zinc/91/00/51/538910051.db2.gz GDXPDBIMNNYFPP-NEPJUHHUSA-N 1 0 213.365 2.421 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@H]1CCCC[C@H]1C ZINC000685963229 538910193 /nfs/dbraw/zinc/91/01/93/538910193.db2.gz JXSWPDBAUAHPMJ-UPJWGTAASA-N 1 0 213.365 2.421 10 0 BEAERO Cc1cc(C)n([C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000023071894 177931967 /nfs/dbraw/zinc/93/19/67/177931967.db2.gz KDALTEBRNZTTTJ-NEPJUHHUSA-N 1 0 207.321 2.332 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@H]1CCC[C@H](C)C1 ZINC000685963932 538910828 /nfs/dbraw/zinc/91/08/28/538910828.db2.gz ZSIRCTWHBUDUJF-RWMBFGLXSA-N 1 0 213.365 2.421 10 0 BEAERO Cc1cc[nH+]c(N)c1/C=C/Br ZINC000685964334 538911012 /nfs/dbraw/zinc/91/10/12/538911012.db2.gz ARPDKQVCOAIXSK-DUXPYHPUSA-N 1 0 213.078 2.338 10 0 BEAERO CCc1ccc(Cn2cnc(N)c2)s1 ZINC000685964175 538911019 /nfs/dbraw/zinc/91/10/19/538911019.db2.gz FVABCWOHYLKYFJ-UHFFFAOYSA-N 1 0 207.302 2.138 10 0 BEAERO CCc1ccc(Cn2cnc(N)c2)cc1 ZINC000685964184 538911093 /nfs/dbraw/zinc/91/10/93/538911093.db2.gz IQPZFOZBOQCGDL-UHFFFAOYSA-N 1 0 201.273 2.076 10 0 BEAERO C=C(OCC)c1cnccc1C[NH2+]C1CC1 ZINC000685965100 538911355 /nfs/dbraw/zinc/91/13/55/538911355.db2.gz OVVAAZFQSGPABH-UHFFFAOYSA-N 1 0 218.300 2.341 10 0 BEAERO C=C(OCC)c1ccc([C@H](C)[NH2+]C)nc1 ZINC000685965095 538911536 /nfs/dbraw/zinc/91/15/36/538911536.db2.gz OTOKRPBAHPSIOX-VIFPVBQESA-N 1 0 206.289 2.369 10 0 BEAERO C[C@]1(N)C[NH2+]C[C@@H]1c1ccc(C(F)F)cc1 ZINC000685965356 538912176 /nfs/dbraw/zinc/91/21/76/538912176.db2.gz AYTDJQLWARFBMB-PWSUYJOCSA-N 1 0 226.270 2.028 10 0 BEAERO CC[NH2+]CC[C@@H](CO)[C@H](C)c1ccccc1 ZINC000685963365 538912600 /nfs/dbraw/zinc/91/26/00/538912600.db2.gz MPNCLPYWFMOWSF-OCCSQVGLSA-N 1 0 221.344 2.398 10 0 BEAERO CC(C)c1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685965888 538912676 /nfs/dbraw/zinc/91/26/76/538912676.db2.gz XXUKHTJOCHAUOP-ZIAGYGMSSA-N 1 0 218.344 2.214 10 0 BEAERO Cc1cc(C)nc(Nc2cccc(C[NH3+])c2)n1 ZINC000104325974 177947422 /nfs/dbraw/zinc/94/74/22/177947422.db2.gz BZTWTRYQUGSAFJ-UHFFFAOYSA-N 1 0 228.299 2.296 10 0 BEAERO Cc1cc(CCOCC[NH3+])c(C)n1C(C)C ZINC000077337414 177966424 /nfs/dbraw/zinc/96/64/24/177966424.db2.gz KBNVYFUOUVXRNI-UHFFFAOYSA-N 1 0 224.348 2.204 10 0 BEAERO CCC(CC)(C[NH3+])CN(C)Cc1ccccn1 ZINC000051217432 168323291 /nfs/dbraw/zinc/32/32/91/168323291.db2.gz ZXSNAOFSTGNADN-UHFFFAOYSA-N 1 0 235.375 2.279 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000378707199 346811366 /nfs/dbraw/zinc/81/13/66/346811366.db2.gz QOGFWWANQHJVHJ-RAIGVLPGSA-N 1 0 211.349 2.436 10 0 BEAERO C[NH2+]C[C@@H](F)Cc1ccccc1Cl ZINC000257871027 349487161 /nfs/dbraw/zinc/48/71/61/349487161.db2.gz QLIBSSNHGHWHCE-VIFPVBQESA-N 1 0 201.672 2.440 10 0 BEAERO C[C@@H]1C[C@H](C(N)=[NH2+])[C@H](C)N1c1ccccc1 ZINC000299803552 398144869 /nfs/dbraw/zinc/14/48/69/398144869.db2.gz XPJKPTUBPLKSAC-SCVCMEIPSA-N 1 0 217.316 2.226 10 0 BEAERO COC(=O)C[C@@H]1[NH2+]CCc2cc(Cl)ccc21 ZINC000258151834 349493196 /nfs/dbraw/zinc/49/31/96/349493196.db2.gz FCDDDMJUWQDWNR-NSHDSACASA-N 1 0 239.702 2.090 10 0 BEAERO c1cc2ccc([C@H]3CCCC[NH2+]3)cc2nn1 ZINC000616612207 349478520 /nfs/dbraw/zinc/47/85/20/349478520.db2.gz ACSKBDHPRCGFGR-GFCCVEGCSA-N 1 0 213.284 2.444 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000378724455 346815744 /nfs/dbraw/zinc/81/57/44/346815744.db2.gz SOCLZRIJCFFUNG-JHJVBQTASA-N 1 0 243.416 2.390 10 0 BEAERO CC(C)[C@@H]1CN(C)c2ccccc2C[NH2+]1 ZINC000062569231 187323710 /nfs/dbraw/zinc/32/37/10/187323710.db2.gz UGPNHTLKSBRBCN-LBPRGKRZSA-N 1 0 204.317 2.251 10 0 BEAERO COCc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)o1 ZINC000125428198 398151128 /nfs/dbraw/zinc/15/11/28/398151128.db2.gz FBJBZWBMGYOEAL-GXFFZTMASA-N 1 0 239.315 2.083 10 0 BEAERO COCc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)o1 ZINC000125428427 398151550 /nfs/dbraw/zinc/15/15/50/398151550.db2.gz FBJBZWBMGYOEAL-ZWNOBZJWSA-N 1 0 239.315 2.083 10 0 BEAERO Cc1cc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)on1 ZINC000227704193 178007810 /nfs/dbraw/zinc/00/78/10/178007810.db2.gz ZUDUXFXBBWLIJM-CHWSQXEVSA-N 1 0 249.358 2.042 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H](C)O)ccc1OC(C)C ZINC000098126316 178022048 /nfs/dbraw/zinc/02/20/48/178022048.db2.gz YVZYESDSROFNCA-GFCCVEGCSA-N 1 0 237.343 2.253 10 0 BEAERO Cc1cc2ccccc2nc1N1CC[NH2+][C@@H](C)C1 ZINC000063105511 349505578 /nfs/dbraw/zinc/50/55/78/349505578.db2.gz WXXIWBPPNAMDRR-LBPRGKRZSA-N 1 0 241.338 2.341 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1snnc1C ZINC000379657525 398156247 /nfs/dbraw/zinc/15/62/47/398156247.db2.gz MNHKERVLNGBVCS-BDAKNGLRSA-N 1 0 211.334 2.125 10 0 BEAERO O[C@H](c1ccsc1Cl)[C@H]1CCC[NH2+]C1 ZINC000306307961 398158017 /nfs/dbraw/zinc/15/80/17/398158017.db2.gz KGRCFBBSNNGYRP-CBAPKCEASA-N 1 0 231.748 2.435 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)cs1 ZINC000285754952 178040017 /nfs/dbraw/zinc/04/00/17/178040017.db2.gz DCHYJZUYGRAUDP-NWDGAFQWSA-N 1 0 225.357 2.450 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C)nc(C)n1 ZINC000309738699 178040622 /nfs/dbraw/zinc/04/06/22/178040622.db2.gz CXQHMQYJSPQRDS-ZANVPECISA-N 1 0 219.332 2.372 10 0 BEAERO Cc1cc(CO)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000061645498 178045777 /nfs/dbraw/zinc/04/57/77/178045777.db2.gz USNMFQMCEFNSKA-AWEZNQCLSA-N 1 0 248.370 2.018 10 0 BEAERO Cc1cc(COC(=O)CC[NH3+])c(C)n1C(C)C ZINC000077384035 178047537 /nfs/dbraw/zinc/04/75/37/178047537.db2.gz OWEKZYCLCXIEGF-UHFFFAOYSA-N 1 0 238.331 2.078 10 0 BEAERO Cc1cc(COCCC[NH3+])c(C)n1C1CC1 ZINC000077334634 178048918 /nfs/dbraw/zinc/04/89/18/178048918.db2.gz BNGVYAGCZVNMCD-UHFFFAOYSA-N 1 0 222.332 2.305 10 0 BEAERO Cc1cc(COc2cccc(CC[NH3+])c2)no1 ZINC000037721268 178049288 /nfs/dbraw/zinc/04/92/88/178049288.db2.gz KDTZOZXLOBHTGQ-UHFFFAOYSA-N 1 0 232.283 2.063 10 0 BEAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2cccs2)n1 ZINC000054835386 178053164 /nfs/dbraw/zinc/05/31/64/178053164.db2.gz FETZYYSWSVVULO-MRVPVSSYSA-N 1 0 233.340 2.403 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1snnc1C ZINC000379657526 398160891 /nfs/dbraw/zinc/16/08/91/398160891.db2.gz MNHKERVLNGBVCS-DTWKUNHWSA-N 1 0 211.334 2.125 10 0 BEAERO Cc1cc(Cn2cncn2)oc1C[NH2+]C(C)(C)C ZINC000052575301 178074096 /nfs/dbraw/zinc/07/40/96/178074096.db2.gz GCDUKGZYCONBRN-UHFFFAOYSA-N 1 0 248.330 2.116 10 0 BEAERO Cc1cc(Cl)ccc1N1CC[C@H](C[NH3+])C1 ZINC000011891623 178068123 /nfs/dbraw/zinc/06/81/23/178068123.db2.gz AMOAKFBXFDPCLE-SNVBAGLBSA-N 1 0 224.735 2.433 10 0 BEAERO Cc1cc(Cl)ccc1OCCOCC[NH3+] ZINC000041251974 178068537 /nfs/dbraw/zinc/06/85/37/178068537.db2.gz CGJCPIBBNSWNQJ-UHFFFAOYSA-N 1 0 229.707 2.003 10 0 BEAERO Cc1cc(F)ccc1NC1CC[NH2+]CC1 ZINC000038040596 178089654 /nfs/dbraw/zinc/08/96/54/178089654.db2.gz FKOXUNOBWDLRMZ-UHFFFAOYSA-N 1 0 208.280 2.298 10 0 BEAERO Cc1cc(F)ccc1N[C@H]1CC[N@@H+](C)C1 ZINC000061984674 178090435 /nfs/dbraw/zinc/09/04/35/178090435.db2.gz GOICFBFRLWURIG-NSHDSACASA-N 1 0 208.280 2.250 10 0 BEAERO Cc1cc(F)ccc1[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000104123841 178092313 /nfs/dbraw/zinc/09/23/13/178092313.db2.gz SVJVEIRJKUZNAZ-RISCZKNCSA-N 1 0 237.318 2.341 10 0 BEAERO C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000162544217 538923302 /nfs/dbraw/zinc/92/33/02/538923302.db2.gz QLAHSJVMHVWHHR-BQUFFADESA-N 1 0 223.360 2.436 10 0 BEAERO Cc1cc(N)ccc1NCC[NH+]1CCCCC1 ZINC000049574623 178105682 /nfs/dbraw/zinc/10/56/82/178105682.db2.gz QTPYDEKVQLLJAS-UHFFFAOYSA-N 1 0 233.359 2.475 10 0 BEAERO Cc1cc(N)ccc1S[C@@H]1CC[NH2+]C1 ZINC000051784217 178107687 /nfs/dbraw/zinc/10/76/87/178107687.db2.gz ZBXHDZIOSMIMGI-SNVBAGLBSA-N 1 0 208.330 2.031 10 0 BEAERO O[C@@H]1CC[C@@H]2C[C@H]2CC[C@@H]1[NH+]1CCCC1 ZINC000536954361 398197896 /nfs/dbraw/zinc/19/78/96/398197896.db2.gz LAQXGQSERUXIJY-FVCCEPFGSA-N 1 0 209.333 2.022 10 0 BEAERO [NH3+]C[C@H](c1ccccc1F)C1(CO)CCCC1 ZINC000536954014 398197963 /nfs/dbraw/zinc/19/79/63/398197963.db2.gz NBOALQSPOMUXQL-GFCCVEGCSA-N 1 0 237.318 2.421 10 0 BEAERO Cc1cc(N2CCC[NH2+]CCC2)ccc1F ZINC000061122307 178115396 /nfs/dbraw/zinc/11/53/96/178115396.db2.gz JJFYISVUUOCDNF-UHFFFAOYSA-N 1 0 222.307 2.324 10 0 BEAERO Cc1cc(N2CC[NH2+][C@H](C)CC2)ccc1F ZINC000061122296 178115941 /nfs/dbraw/zinc/11/59/41/178115941.db2.gz JQLDGTWSGLFURC-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1nccs1 ZINC000386271743 398204409 /nfs/dbraw/zinc/20/44/09/398204409.db2.gz ZUZNXYYQDJKHEM-GHMZBOCLSA-N 1 0 239.388 2.278 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)C(N)=O ZINC000094955290 398207227 /nfs/dbraw/zinc/20/72/27/398207227.db2.gz WNGPGORGVYWFCO-CABZTGNLSA-N 1 0 238.306 2.049 10 0 BEAERO Cc1cc(NC(=O)[C@@H]([NH3+])c2ccccc2)ccn1 ZINC000019861866 178143961 /nfs/dbraw/zinc/14/39/61/178143961.db2.gz HVJJZLOLJIHCCE-ZDUSSCGKSA-N 1 0 241.294 2.029 10 0 BEAERO [NH3+]Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC000075139296 398217080 /nfs/dbraw/zinc/21/70/80/398217080.db2.gz IJEVPBVWGABJNM-UHFFFAOYSA-N 1 0 215.178 2.040 10 0 BEAERO Cc1cc(N[C@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000167625316 178189164 /nfs/dbraw/zinc/18/91/64/178189164.db2.gz KUDTUHAWRAVNLO-NWDGAFQWSA-N 1 0 206.289 2.105 10 0 BEAERO CCC(CC)CN(CC)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111264155 168348162 /nfs/dbraw/zinc/34/81/62/168348162.db2.gz QVZGSHYUTAFPJD-WCQYABFASA-N 1 0 240.391 2.127 10 0 BEAERO F[C@H](c1ccsn1)[C@H]1CCCC[NH2+]1 ZINC000306605458 398221973 /nfs/dbraw/zinc/22/19/73/398221973.db2.gz PVGGNFIWQSXEKD-APPZFPTMSA-N 1 0 200.282 2.296 10 0 BEAERO Cc1cc(NN)[nH+]c(C2CCCCC2)n1 ZINC000051152290 178177726 /nfs/dbraw/zinc/17/77/26/178177726.db2.gz HOKQOUZHEPCPEV-UHFFFAOYSA-N 1 0 206.293 2.118 10 0 BEAERO Cc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc(Cl)n1 ZINC000100258630 178182561 /nfs/dbraw/zinc/18/25/61/178182561.db2.gz SEQMVJLENFIUSZ-DTORHVGOSA-N 1 0 240.738 2.120 10 0 BEAERO Cc1cc(N[C@@]2(C[NH3+])CCC[C@@H](C)C2)nc(C)n1 ZINC000104303461 178183902 /nfs/dbraw/zinc/18/39/02/178183902.db2.gz WGDAOKKFEVXHHK-YGRLFVJLSA-N 1 0 248.374 2.413 10 0 BEAERO Cc1cc(N[C@H]2CCC[NH2+]C2)ccc1F ZINC000061116642 178188757 /nfs/dbraw/zinc/18/87/57/178188757.db2.gz LROAVNHQVWALDO-NSHDSACASA-N 1 0 208.280 2.298 10 0 BEAERO Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])nc(Cl)n1 ZINC000095068966 178189366 /nfs/dbraw/zinc/18/93/66/178189366.db2.gz KTWYUVZZNUIAEI-IUCAKERBSA-N 1 0 240.738 2.120 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C ZINC000380085519 488173794 /nfs/dbraw/zinc/17/37/94/488173794.db2.gz LNFIKCVJUDHDMQ-YVECIDJPSA-N 1 0 211.349 2.125 10 0 BEAERO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)C)cs1 ZINC000033890450 178212152 /nfs/dbraw/zinc/21/21/52/178212152.db2.gz XWIZUVFVHLEVLD-JTQLQIEISA-N 1 0 243.372 2.184 10 0 BEAERO C[C@](O)(C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000306643491 361781469 /nfs/dbraw/zinc/78/14/69/361781469.db2.gz WUVCPFVBNUCLBO-QWRGUYRKSA-N 1 0 211.330 2.098 10 0 BEAERO Cc1cc(S[C@H]2CCCC[C@@H]2C[NH3+])n(C)n1 ZINC000052310487 178219271 /nfs/dbraw/zinc/21/92/71/178219271.db2.gz RGNQSNHFQACDGM-MNOVXSKESA-N 1 0 239.388 2.338 10 0 BEAERO Cc1cc(Sc2ccccc2C[NH3+])n(C)n1 ZINC000052310416 178219485 /nfs/dbraw/zinc/21/94/85/178219485.db2.gz PICBKOLNFQIUBI-UHFFFAOYSA-N 1 0 233.340 2.338 10 0 BEAERO Cc1cc([C@@H](C)N2CCC([NH3+])CC2)c(C)o1 ZINC000020521411 178221469 /nfs/dbraw/zinc/22/14/69/178221469.db2.gz UMVACWDYYCYWOB-SNVBAGLBSA-N 1 0 222.332 2.381 10 0 BEAERO Cc1cc([C@@H](C)[NH2+][C@H](C)C(C)C)nn1C ZINC000282176979 178232726 /nfs/dbraw/zinc/23/27/26/178232726.db2.gz MODHEAJYIRLDBN-GHMZBOCLSA-N 1 0 209.337 2.424 10 0 BEAERO Cc1cc([C@@H]([NH3+])c2cccnc2)c(C)o1 ZINC000043611437 178237420 /nfs/dbraw/zinc/23/74/20/178237420.db2.gz AOXZPTSTACUJGN-LBPRGKRZSA-N 1 0 202.257 2.340 10 0 BEAERO C[C@@H]([NH3+])c1csc(CC(F)(F)F)n1 ZINC000070840012 361781871 /nfs/dbraw/zinc/78/18/71/361781871.db2.gz VMROLCVUHCITTM-SCSAIBSYSA-N 1 0 210.224 2.268 10 0 BEAERO Cc1cc([C@@H]2C[NH2+]C(C)(C)CO2)c(C)o1 ZINC000036672990 178243335 /nfs/dbraw/zinc/24/33/35/178243335.db2.gz BDXUUEYNMFIACK-NSHDSACASA-N 1 0 209.289 2.336 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]CC(C)(C)C ZINC000165537211 538936031 /nfs/dbraw/zinc/93/60/31/538936031.db2.gz CZFJUBLEDGIHNI-JTQLQIEISA-N 1 0 222.336 2.057 10 0 BEAERO Cc1cc([C@H](C[NH3+])N2CCCC2)c(C)s1 ZINC000049687165 178261176 /nfs/dbraw/zinc/26/11/76/178261176.db2.gz CKSBZDPTQAJAJQ-LBPRGKRZSA-N 1 0 224.373 2.461 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000336775722 398237759 /nfs/dbraw/zinc/23/77/59/398237759.db2.gz ZUJBQMXSZWRNJF-AVGNSLFASA-N 1 0 224.392 2.495 10 0 BEAERO Cc1cc([C@H](CO)[NH2+]C2CC2)c(C)s1 ZINC000049688087 178261489 /nfs/dbraw/zinc/26/14/89/178261489.db2.gz VUWALXLEMQEITQ-NSHDSACASA-N 1 0 211.330 2.150 10 0 BEAERO CCC(CC)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152278 168360866 /nfs/dbraw/zinc/36/08/66/168360866.db2.gz UKFCTWXGJBQDCP-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO Cc1cccnc1CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000576887808 398242875 /nfs/dbraw/zinc/24/28/75/398242875.db2.gz RSYAERZYGKBDDY-HUUCEWRRSA-N 1 0 248.370 2.216 10 0 BEAERO CCC(CC)C[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000336756191 168364252 /nfs/dbraw/zinc/36/42/52/168364252.db2.gz IPMVIYZOEHFVLJ-AAEUAGOBSA-N 1 0 212.381 2.352 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1nc2ccccc2[nH]1 ZINC000320571680 259309326 /nfs/dbraw/zinc/30/93/26/259309326.db2.gz SKWIDEKRINGKPB-DTWKUNHWSA-N 1 0 218.304 2.101 10 0 BEAERO Cc1cc2ncc(C[NH2+]CC3CCCC3)cn2n1 ZINC000070166074 178303394 /nfs/dbraw/zinc/30/33/94/178303394.db2.gz IPBOFBGWTJPVOQ-UHFFFAOYSA-N 1 0 244.342 2.318 10 0 BEAERO Cc1cc2ncc(C[NH2+]C3(C)CCCC3)cn2n1 ZINC000104187475 178304168 /nfs/dbraw/zinc/30/41/68/178304168.db2.gz NEZZGQGSGUXEPH-UHFFFAOYSA-N 1 0 244.342 2.460 10 0 BEAERO Cc1cc2ncn([C@@H](C)C[NH3+])c2cc1C ZINC000043513993 178305239 /nfs/dbraw/zinc/30/52/39/178305239.db2.gz GLJIVELIZIMWLS-JTQLQIEISA-N 1 0 203.289 2.173 10 0 BEAERO Cc1ccc(-c2c[nH]c(C[NH3+])n2)cc1C ZINC000036870900 178317221 /nfs/dbraw/zinc/31/72/21/178317221.db2.gz QFLVABWDPIKAPE-UHFFFAOYSA-N 1 0 201.273 2.152 10 0 BEAERO Cc1ccc(-c2c[nH]c(C[NH2+]C(C)C)n2)o1 ZINC000037477453 178317821 /nfs/dbraw/zinc/31/78/21/178317821.db2.gz RPJLIASUNLLQDY-UHFFFAOYSA-N 1 0 219.288 2.476 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055087558 168367154 /nfs/dbraw/zinc/36/71/54/168367154.db2.gz QJBLSEGAIZNFQB-WDEREUQCSA-N 1 0 226.364 2.151 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000036789521 168367171 /nfs/dbraw/zinc/36/71/71/168367171.db2.gz UQAIEEAGSVYAKN-QWRGUYRKSA-N 1 0 226.364 2.022 10 0 BEAERO Cc1ccc(-c2cc(C[NH3+])[nH]n2)c(C)c1 ZINC000050478900 178319979 /nfs/dbraw/zinc/31/99/79/178319979.db2.gz BLMOBOBUALJDFH-UHFFFAOYSA-N 1 0 201.273 2.152 10 0 BEAERO CCC(CC)[N@H+](C)CC(=O)Nc1cccc(N)c1 ZINC000036788474 168367279 /nfs/dbraw/zinc/36/72/79/168367279.db2.gz CNEBWMUNOUCFST-UHFFFAOYSA-N 1 0 249.358 2.328 10 0 BEAERO Cc1[nH+]c(-c2ccc(C)cc2)c(N)n1C ZINC000104848836 178333547 /nfs/dbraw/zinc/33/35/47/178333547.db2.gz ZKHNIGJJOLCOOA-UHFFFAOYSA-N 1 0 201.273 2.286 10 0 BEAERO Cc1ccc(-c2nccc(C[C@@H](C)[NH3+])n2)cc1F ZINC000054834241 178338041 /nfs/dbraw/zinc/33/80/41/178338041.db2.gz JTQXWUFXTQWBHY-SNVBAGLBSA-N 1 0 245.301 2.481 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCCO1 ZINC000383100212 398257278 /nfs/dbraw/zinc/25/72/78/398257278.db2.gz NWHXRPQVPCOXDN-XDQVBPFNSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1ccc(-c2nccc(C[C@H](C)[NH3+])n2)cc1F ZINC000054834243 178338311 /nfs/dbraw/zinc/33/83/11/178338311.db2.gz JTQXWUFXTQWBHY-JTQLQIEISA-N 1 0 245.301 2.481 10 0 BEAERO Cc1ccc(-c2nnc(CC[NH2+]C(C)C)o2)o1 ZINC000050620186 178341614 /nfs/dbraw/zinc/34/16/14/178341614.db2.gz CVYSVKUHXWMZRB-UHFFFAOYSA-N 1 0 235.287 2.179 10 0 BEAERO Cc1ccc(-c2c[nH]c(CC[NH2+]C3CC3)n2)o1 ZINC000037613650 178329160 /nfs/dbraw/zinc/32/91/60/178329160.db2.gz QFMZUWIQSSXMDK-UHFFFAOYSA-N 1 0 231.299 2.273 10 0 BEAERO Cc1ccc(-c2c[nH]c(CCC[NH3+])n2)cc1 ZINC000036876238 178329491 /nfs/dbraw/zinc/32/94/91/178329491.db2.gz LTVBPZJNOVRESR-UHFFFAOYSA-N 1 0 215.300 2.276 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]1C ZINC000036281467 398260531 /nfs/dbraw/zinc/26/05/31/398260531.db2.gz AKDIGSWTPFUCMO-ZYHUDNBSSA-N 1 0 232.327 2.391 10 0 BEAERO Cc1ccc(C(=O)N(CC[NH3+])C(C)C)cc1C ZINC000020183233 178382762 /nfs/dbraw/zinc/38/27/62/178382762.db2.gz ASWZAJYRLHNGTR-UHFFFAOYSA-N 1 0 234.343 2.113 10 0 BEAERO CCC(CC)[N@H+](CCO)[C@H]1CCCCCC1=O ZINC000042499916 168374048 /nfs/dbraw/zinc/37/40/48/168374048.db2.gz RGTZXPMNAGMKBD-ZDUSSCGKSA-N 1 0 241.375 2.371 10 0 BEAERO CCC(CC)[N@H+](CCO)Cc1ccccc1N ZINC000042483372 168374192 /nfs/dbraw/zinc/37/41/92/168374192.db2.gz OKICGOYYNRGYNC-UHFFFAOYSA-N 1 0 236.359 2.252 10 0 BEAERO CN(C[C@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000381689953 398269489 /nfs/dbraw/zinc/26/94/89/398269489.db2.gz NIWPMTUNWILPLW-MNOVXSKESA-N 1 0 232.318 2.106 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2cccc3nnccc32)C1 ZINC000616612715 349581120 /nfs/dbraw/zinc/58/11/20/349581120.db2.gz HSDGFQXAUHAAKT-LLVKDONJSA-N 1 0 227.311 2.439 10 0 BEAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000170863194 178397416 /nfs/dbraw/zinc/39/74/16/178397416.db2.gz GFWWBFTUURSTQJ-ZDUSSCGKSA-N 1 0 246.354 2.080 10 0 BEAERO Cc1csc2n(C)c3ccccc3[n+]12 ZINC000000005163 342669563 /nfs/dbraw/zinc/66/95/63/342669563.db2.gz AZPNRVNDCZDZMN-UHFFFAOYSA-N 1 0 203.290 2.287 10 0 BEAERO C[N@@H+]1CC[C@@H](c2cnnc3ccccc32)C1 ZINC000616613066 349605547 /nfs/dbraw/zinc/60/55/47/349605547.db2.gz KOQIEQCTNFSGQK-SNVBAGLBSA-N 1 0 213.284 2.049 10 0 BEAERO CC(C)(C)c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000166258796 361849410 /nfs/dbraw/zinc/84/94/10/361849410.db2.gz MRHDTXFHCORVDS-SNVBAGLBSA-N 1 0 205.301 2.246 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000037165966 538961582 /nfs/dbraw/zinc/96/15/82/538961582.db2.gz OBOMKWPWORRUKY-RYUDHWBXSA-N 1 0 209.333 2.068 10 0 BEAERO CCCN(CCC)[C@H](CC[NH3+])C(F)(F)F ZINC000037178308 538961884 /nfs/dbraw/zinc/96/18/84/538961884.db2.gz JSBLSVKTSMTLLL-SECBINFHSA-N 1 0 226.286 2.388 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000037166330 538961943 /nfs/dbraw/zinc/96/19/43/538961943.db2.gz UDKKWNMFDGYQMG-HIFRSBDPSA-N 1 0 231.339 2.047 10 0 BEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC ZINC000034938614 168382113 /nfs/dbraw/zinc/38/21/13/168382113.db2.gz JDDZJXMGOCZKMU-VHSXEESVSA-N 1 0 214.353 2.068 10 0 BEAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccncc1 ZINC000038095445 538964848 /nfs/dbraw/zinc/96/48/48/538964848.db2.gz XRXBRUZHESUUMI-YPMHNXCESA-N 1 0 220.316 2.301 10 0 BEAERO C[C@H](C[NH3+])Cc1ccc(Br)o1 ZINC000306659050 361869358 /nfs/dbraw/zinc/86/93/58/361869358.db2.gz JHTOFWPKGRELJI-LURJTMIESA-N 1 0 218.094 2.179 10 0 BEAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccco1 ZINC000038095481 538964890 /nfs/dbraw/zinc/96/48/90/538964890.db2.gz PVSPACSMLYIPEY-GHMZBOCLSA-N 1 0 209.289 2.499 10 0 BEAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)C ZINC000043051067 342730005 /nfs/dbraw/zinc/73/00/05/342730005.db2.gz MOOMLKPPACHIFF-GZMMTYOYSA-N 1 0 212.724 2.290 10 0 BEAERO CC[C@H]([NH2+]CC(C)(C)C(=O)OC)[C@H]1C[C@@H]1C ZINC000321047317 342749854 /nfs/dbraw/zinc/74/98/54/342749854.db2.gz GDSZGOUQRVGHGI-DCAQKATOSA-N 1 0 227.348 2.210 10 0 BEAERO CC[NH+]1CCC(c2[nH]nc3c2CCCCN3)CC1 ZINC000003698310 342736554 /nfs/dbraw/zinc/73/65/54/342736554.db2.gz PVSZDJBAZLLFKI-UHFFFAOYSA-N 1 0 248.374 2.357 10 0 BEAERO Cc1nc(N(C)C(C)C)sc1[C@H](C)[NH3+] ZINC000054864356 398284113 /nfs/dbraw/zinc/28/41/13/398284113.db2.gz XGOWKKGYOAGYEF-ZETCQYMHSA-N 1 0 213.350 2.316 10 0 BEAERO COc1ccc2c(c1)CC[C@]1(CCCC[NH2+]1)C2=O ZINC000146586121 342770062 /nfs/dbraw/zinc/77/00/62/342770062.db2.gz GBSSQDLOVJWBJA-OAHLLOKOSA-N 1 0 245.322 2.336 10 0 BEAERO [NH3+][C@@H]1CCc2c(Cl)cc(Cl)cc2[C@@H]1O ZINC000008699441 342802494 /nfs/dbraw/zinc/80/24/94/342802494.db2.gz OKVANKUUGAGAAX-ZJUUUORDSA-N 1 0 232.110 2.300 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)C[NH2+]C(C)C ZINC000040419229 538971360 /nfs/dbraw/zinc/97/13/60/538971360.db2.gz CNUSRGVLIYCNQK-LBPRGKRZSA-N 1 0 234.343 2.170 10 0 BEAERO CO[C@@H](C[NH3+])c1ccccc1Br ZINC000043094022 342792352 /nfs/dbraw/zinc/79/23/52/342792352.db2.gz VOIPGILBMJYRJP-VIFPVBQESA-N 1 0 230.105 2.095 10 0 BEAERO CCN1CC[N@H+](C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000336255221 342795175 /nfs/dbraw/zinc/79/51/75/342795175.db2.gz CGDOSHBKKLEQKC-NWDGAFQWSA-N 1 0 246.345 2.448 10 0 BEAERO Oc1cccc(SC[C@H]2CCC[NH2+]2)c1 ZINC000127053535 342819805 /nfs/dbraw/zinc/81/98/05/342819805.db2.gz OJQPYHYBGQFALL-SECBINFHSA-N 1 0 209.314 2.236 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000378807666 538974736 /nfs/dbraw/zinc/97/47/36/538974736.db2.gz XYAPBEAEFBGENS-YNEHKIRRSA-N 1 0 229.364 2.085 10 0 BEAERO CC1(C)C[N@@H+]([C@@H]2CCOC2)CC2(CCCC2)O1 ZINC000336437654 342805884 /nfs/dbraw/zinc/80/58/84/342805884.db2.gz RWXDKTREKOYLFN-GFCCVEGCSA-N 1 0 239.359 2.199 10 0 BEAERO Cc1cccc([C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000044129529 538986435 /nfs/dbraw/zinc/98/64/35/538986435.db2.gz KILKTGYNWFXKOG-ZDUSSCGKSA-N 1 0 205.301 2.123 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000381466789 539001384 /nfs/dbraw/zinc/00/13/84/539001384.db2.gz MTOCUOPYIYLJQA-KOLCDFICSA-N 1 0 239.750 2.487 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H](C)c2ccco2)[C@@H](C)C1 ZINC000381739424 539006463 /nfs/dbraw/zinc/00/64/63/539006463.db2.gz ORCCGOZKFQTYCP-SRVKXCTJSA-N 1 0 222.332 2.270 10 0 BEAERO CC(C)(C)OC(=O)[C@H](N)c1ccc(F)cc1 ZINC000390257634 539020429 /nfs/dbraw/zinc/02/04/29/539020429.db2.gz MRFBMIHHIQLHLO-SNVBAGLBSA-N 1 0 225.263 2.167 10 0 BEAERO C[C@H]1C[NH2+]CC[C@@]1(O)c1sccc1Cl ZINC000229926169 342855650 /nfs/dbraw/zinc/85/56/50/342855650.db2.gz CTERIHYIPGOSFC-XVKPBYJWSA-N 1 0 231.748 2.219 10 0 BEAERO [NH3+][C@]1(c2sccc2Cl)CCCOC1 ZINC000229927367 342855662 /nfs/dbraw/zinc/85/56/62/342855662.db2.gz FRQMQQPJTTUGFM-SECBINFHSA-N 1 0 217.721 2.366 10 0 BEAERO CC(C)(C)OC(=O)N1CC2(C1)CCCCC[NH2+]2 ZINC000306761181 398302756 /nfs/dbraw/zinc/30/27/56/398302756.db2.gz YVMFYHSGMSRVSB-UHFFFAOYSA-N 1 0 240.347 2.140 10 0 BEAERO Cn1cccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979365 398304108 /nfs/dbraw/zinc/30/41/08/398304108.db2.gz GFFHVKIIEUQWBM-UONOGXRCSA-N 1 0 234.343 2.169 10 0 BEAERO C[NH2+][C@H]1CSC[C@H]1Cc1ccsc1 ZINC000134585650 342871219 /nfs/dbraw/zinc/87/12/19/342871219.db2.gz VPAPMHXFQYPUBC-ZJUUUORDSA-N 1 0 213.371 2.242 10 0 BEAERO C[NH2+][C@H]1CSC[C@H]1Cc1cccs1 ZINC000134590598 342871424 /nfs/dbraw/zinc/87/14/24/342871424.db2.gz ZTZIMZKMMOZLDE-SCZZXKLOSA-N 1 0 213.371 2.242 10 0 BEAERO CCC1(C[NH+]2CCC(C)(O)CC2)CCOCC1 ZINC000335646506 136243691 /nfs/dbraw/zinc/24/36/91/136243691.db2.gz NCPPOJVSBDDCSJ-UHFFFAOYSA-N 1 0 241.375 2.040 10 0 BEAERO [NH3+][C@H]1CC=C(C(=O)c2sccc2Cl)C1 ZINC000229957672 342860308 /nfs/dbraw/zinc/86/03/08/342860308.db2.gz DLDZFYCTEBOGGC-RQJHMYQMSA-N 1 0 227.716 2.488 10 0 BEAERO CC[C@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000036169905 342894429 /nfs/dbraw/zinc/89/44/29/342894429.db2.gz QKUZXINKXBMKQA-QWHCGFSZSA-N 1 0 212.381 2.482 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000167341233 136245664 /nfs/dbraw/zinc/24/56/64/136245664.db2.gz AYGWJNLOXCBQPV-RQJABVFESA-N 1 0 222.376 2.201 10 0 BEAERO Cc1ccc(Br)c(NC(N)=[NH2+])c1 ZINC000134874873 342913718 /nfs/dbraw/zinc/91/37/18/342913718.db2.gz IGEBBDQWGFBBCR-UHFFFAOYSA-N 1 0 228.093 2.063 10 0 BEAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000103956729 398323462 /nfs/dbraw/zinc/32/34/62/398323462.db2.gz BVZOEXXOFAHLHQ-YPMHNXCESA-N 1 0 233.311 2.279 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000233396915 342901423 /nfs/dbraw/zinc/90/14/23/342901423.db2.gz GFEYTXOHENWTLC-JSGCOSHPSA-N 1 0 246.354 2.106 10 0 BEAERO CCC(CC)[C@H](C)[NH2+]CC(=O)NC1CCCC1 ZINC000104437345 168405704 /nfs/dbraw/zinc/40/57/04/168405704.db2.gz XTDIGXJCKZKVIE-NSHDSACASA-N 1 0 240.391 2.460 10 0 BEAERO CCc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)s1 ZINC000234159418 342917252 /nfs/dbraw/zinc/91/72/52/342917252.db2.gz BDHYIKXLRKRZQV-SKDRFNHKSA-N 1 0 224.373 2.090 10 0 BEAERO CCCC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105804289 398325378 /nfs/dbraw/zinc/32/53/78/398325378.db2.gz CAGRSUSETLBDIG-CYBMUJFWSA-N 1 0 248.374 2.177 10 0 BEAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000037476551 398327937 /nfs/dbraw/zinc/32/79/37/398327937.db2.gz JVIIEWXPDJCUFQ-BQBZGAKWSA-N 1 0 246.763 2.316 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000123445176 398338134 /nfs/dbraw/zinc/33/81/34/398338134.db2.gz ZPYXBIMEKSJTLY-AWEZNQCLSA-N 1 0 239.334 2.461 10 0 BEAERO C[C@H]([NH3+])c1cnc(-c2ccccn2)s1 ZINC000011760737 398338159 /nfs/dbraw/zinc/33/81/59/398338159.db2.gz KUKAKSPTAZEROC-ZETCQYMHSA-N 1 0 205.286 2.225 10 0 BEAERO CCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246389630 398330965 /nfs/dbraw/zinc/33/09/65/398330965.db2.gz ATFICSAHQJDBCD-QWHCGFSZSA-N 1 0 211.349 2.414 10 0 BEAERO C[C@@H](N(C)C(=O)C1CCC([NH3+])CC1)C(C)(C)C ZINC000037807210 398334485 /nfs/dbraw/zinc/33/44/85/398334485.db2.gz YHMCHIQLRZILIY-VOMCLLRMSA-N 1 0 240.391 2.397 10 0 BEAERO Fc1ccccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988680 398335497 /nfs/dbraw/zinc/33/54/97/398335497.db2.gz NGVZJOLKZGMXCX-LBPRGKRZSA-N 1 0 223.291 2.484 10 0 BEAERO COc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000037988593 398335525 /nfs/dbraw/zinc/33/55/25/398335525.db2.gz BIZMWZOFOAXXCJ-CQSZACIVSA-N 1 0 235.327 2.354 10 0 BEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000335598230 398341781 /nfs/dbraw/zinc/34/17/81/398341781.db2.gz VSNDFPRJNZWEPE-JQWIXIFHSA-N 1 0 246.310 2.173 10 0 BEAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@@H]1CCCO1 ZINC000655688141 488189049 /nfs/dbraw/zinc/18/90/49/488189049.db2.gz NCNIKASUZDSTLD-RHYQMDGZSA-N 1 0 229.389 2.428 10 0 BEAERO CCC[NH2+][C@H]1Cc2cccc3c2N(CCC3)C1 ZINC000034741380 398343598 /nfs/dbraw/zinc/34/35/98/398343598.db2.gz MKXWMJYZSDWXIM-AWEZNQCLSA-N 1 0 230.355 2.364 10 0 BEAERO CCC[NH2+][C@@H]1Cc2cccc3c2N(CCC3)C1 ZINC000034741379 398343600 /nfs/dbraw/zinc/34/36/00/398343600.db2.gz MKXWMJYZSDWXIM-CQSZACIVSA-N 1 0 230.355 2.364 10 0 BEAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@H]1CCCO1 ZINC000655688142 488189080 /nfs/dbraw/zinc/18/90/80/488189080.db2.gz NCNIKASUZDSTLD-WISYIIOYSA-N 1 0 229.389 2.428 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCc1ccncc1 ZINC000175361127 346895172 /nfs/dbraw/zinc/89/51/72/346895172.db2.gz ZMPFXCMACYJLOW-HNNXBMFYSA-N 1 0 247.386 2.040 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCc1ccccc1 ZINC000019575710 342951806 /nfs/dbraw/zinc/95/18/06/342951806.db2.gz OWXRKLBEDFCSBI-HOCLYGCPSA-N 1 0 244.382 2.398 10 0 BEAERO [NH3+][C@H]1CCc2cc(Cl)cc(Cl)c2[C@H]1O ZINC000019795457 342957879 /nfs/dbraw/zinc/95/78/79/342957879.db2.gz PUWWJJCITBSBLX-WPRPVWTQSA-N 1 0 232.110 2.300 10 0 BEAERO CCc1cc(NCCn2cc(C)cn2)cc[nH+]1 ZINC000307766343 529555731 /nfs/dbraw/zinc/55/57/31/529555731.db2.gz CVJARVQCRCTKHY-UHFFFAOYSA-N 1 0 230.315 2.261 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178869634 534929828 /nfs/dbraw/zinc/92/98/28/534929828.db2.gz SHZCCSIKOANSKY-VXGBXAGGSA-N 1 0 240.391 2.254 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000211780065 343001386 /nfs/dbraw/zinc/00/13/86/343001386.db2.gz KRIBOEIJXHFSQL-YPMHNXCESA-N 1 0 240.391 2.317 10 0 BEAERO CCC[C@@]1(C)C[NH2+]C[C@@H](C(F)(F)F)O1 ZINC000230704035 346915579 /nfs/dbraw/zinc/91/55/79/346915579.db2.gz WQTCGIHCVFJRSK-YUMQZZPRSA-N 1 0 211.227 2.096 10 0 BEAERO CCC[C@]1(C)C[NH2+]C[C@H](C(F)(F)F)O1 ZINC000230704044 346915847 /nfs/dbraw/zinc/91/58/47/346915847.db2.gz WQTCGIHCVFJRSK-HTQZYQBOSA-N 1 0 211.227 2.096 10 0 BEAERO [NH3+]Cc1nc(Cc2ccccc2)cs1 ZINC000011631693 343012778 /nfs/dbraw/zinc/01/27/78/343012778.db2.gz STBNTJUHOSEJFU-UHFFFAOYSA-N 1 0 204.298 2.193 10 0 BEAERO CCOc1ccccc1C[NH2+]CCc1c[nH]cn1 ZINC000045946254 343013097 /nfs/dbraw/zinc/01/30/97/343013097.db2.gz VSVWINIBTLRPMH-UHFFFAOYSA-N 1 0 245.326 2.141 10 0 BEAERO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000401970592 529645700 /nfs/dbraw/zinc/64/57/00/529645700.db2.gz ZDJVHDCBQAMTRP-IUODEOHRSA-N 1 0 233.355 2.452 10 0 BEAERO CC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1nccs1 ZINC000400697998 529651293 /nfs/dbraw/zinc/65/12/93/529651293.db2.gz JNOGJQOYNDEYKS-DCAQKATOSA-N 1 0 239.388 2.182 10 0 BEAERO Nc1ccc2[nH]c(N3CCCCC3)[nH+]c2c1 ZINC000032500371 187229958 /nfs/dbraw/zinc/22/99/58/187229958.db2.gz NKAPXWIFLZNFAE-UHFFFAOYSA-N 1 0 216.288 2.135 10 0 BEAERO [NH3+][C@@H](CO)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000072198903 343069094 /nfs/dbraw/zinc/06/90/94/343069094.db2.gz REUIRPFEEJVRNN-QMMMGPOBSA-N 1 0 239.624 2.351 10 0 BEAERO CC(C)Oc1ccc2[nH+]cc(N)c(N)c2c1 ZINC000584881890 343079751 /nfs/dbraw/zinc/07/97/51/343079751.db2.gz GWVKUAZHTJHIGF-UHFFFAOYSA-N 1 0 217.272 2.017 10 0 BEAERO [NH3+]CCCn1cc(-c2cc(F)cc(F)c2)cn1 ZINC000383439381 362023658 /nfs/dbraw/zinc/02/36/58/362023658.db2.gz GGWPKIKRNKIKPS-UHFFFAOYSA-N 1 0 237.253 2.177 10 0 BEAERO CC(C)(C)OC(=O)c1ccc2c(c1)C[NH2+]CCO2 ZINC000584881661 343082753 /nfs/dbraw/zinc/08/27/53/343082753.db2.gz ZLFCBJAHNVJJOH-UHFFFAOYSA-N 1 0 249.310 2.124 10 0 BEAERO CC(C)(C)c1cnc([C@H]2CCC[NH2+]C2)o1 ZINC000040543199 187231291 /nfs/dbraw/zinc/23/12/91/187231291.db2.gz RPGDSAWBWHLSIR-VIFPVBQESA-N 1 0 208.305 2.439 10 0 BEAERO CC[C@@H]1CC[C@H](C[NH3+])N(C(=O)OC(C)(C)C)C1 ZINC000584883214 343085789 /nfs/dbraw/zinc/08/57/89/343085789.db2.gz KUIOAZRDHYMGNA-GHMZBOCLSA-N 1 0 242.363 2.371 10 0 BEAERO CC(C)[NH2+]C[C@H](O)C[C@@](C)(O)C1CCCCC1 ZINC000584883492 343086266 /nfs/dbraw/zinc/08/62/66/343086266.db2.gz PZNIFQWASICYOO-ZIAGYGMSSA-N 1 0 243.391 2.067 10 0 BEAERO CC(C)(C)OC(=O)N1CC2(CC2)CC[C@@H]1C[NH3+] ZINC000584883374 343086273 /nfs/dbraw/zinc/08/62/73/343086273.db2.gz SMIFIWZXNGMPJS-SNVBAGLBSA-N 1 0 240.347 2.125 10 0 BEAERO C[C@H]1Cc2ccsc2C2(CCN(C)CC2)[NH2+]1 ZINC000584883872 343087030 /nfs/dbraw/zinc/08/70/30/343087030.db2.gz TYGRBWIKAGRAJY-JTQLQIEISA-N 1 0 236.384 2.203 10 0 BEAERO c1ccc(C2=CCC[C@@H]3CC[C@H]2[NH2+]3)nc1 ZINC000013475036 343089274 /nfs/dbraw/zinc/08/92/74/343089274.db2.gz KAFONDJFZVCZCU-ZWNOBZJWSA-N 1 0 200.285 2.379 10 0 BEAERO O=c1[nH]c([NH2+]CC2CC2)cc2ccccc21 ZINC000037757127 343074809 /nfs/dbraw/zinc/07/48/09/343074809.db2.gz XKBVAQUPSJVERO-UHFFFAOYSA-N 1 0 214.268 2.350 10 0 BEAERO [NH3+]CCc1c[nH]c2c1c(F)c(F)c(F)c2F ZINC000034593619 343074992 /nfs/dbraw/zinc/07/49/92/343074992.db2.gz HDHVMPDAAXEEHN-UHFFFAOYSA-N 1 0 232.180 2.226 10 0 BEAERO CC(C)(C)OC(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC000126111077 343075614 /nfs/dbraw/zinc/07/56/14/343075614.db2.gz ZRUSJQIEIXQIRV-UHFFFAOYSA-N 1 0 233.311 2.288 10 0 BEAERO COC(=O)[C@@H](c1cccc(C)c1)[C@@H]1CCCC[NH2+]1 ZINC000013747225 343102768 /nfs/dbraw/zinc/10/27/68/343102768.db2.gz NRBMYZAWNJOHPY-KBPBESRZSA-N 1 0 247.338 2.394 10 0 BEAERO CC(=O)Oc1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC000013745603 343102792 /nfs/dbraw/zinc/10/27/92/343102792.db2.gz BZFGYTBVFYYKOK-UHFFFAOYSA-N 1 0 246.310 2.197 10 0 BEAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000308857965 346926069 /nfs/dbraw/zinc/92/60/69/346926069.db2.gz UMAINQMMVXLDHQ-WOPDTQHZSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccccn1 ZINC000127545289 187233256 /nfs/dbraw/zinc/23/32/56/187233256.db2.gz VWLMFORMOTUGEP-YPMHNXCESA-N 1 0 222.332 2.139 10 0 BEAERO C[C@H](Oc1ccc(F)cc1Cl)C(N)=[NH2+] ZINC000043516113 343116167 /nfs/dbraw/zinc/11/61/67/343116167.db2.gz GHFZTABPCJQKDL-YFKPBYRVSA-N 1 0 216.643 2.182 10 0 BEAERO C[C@@H](Sc1ccc(F)c(F)c1)C(N)=[NH2+] ZINC000043516515 343116464 /nfs/dbraw/zinc/11/64/64/343116464.db2.gz UABNJUDBDFJMRU-RXMQYKEDSA-N 1 0 216.256 2.381 10 0 BEAERO C[C@@H](C(N)=S)[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000043514607 343116492 /nfs/dbraw/zinc/11/64/92/343116492.db2.gz HHHHTPQUWZYPOS-UTLUCORTSA-N 1 0 214.378 2.172 10 0 BEAERO CC[C@@H](C(N)=S)[NH+]1CCCCCCC1 ZINC000043539608 343131962 /nfs/dbraw/zinc/13/19/62/343131962.db2.gz IYXKLPNNXJAKBR-JTQLQIEISA-N 1 0 214.378 2.317 10 0 BEAERO CC[C@H](C(N)=S)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000043539521 343132179 /nfs/dbraw/zinc/13/21/79/343132179.db2.gz DKKLYRIJNMYRFW-LPEHRKFASA-N 1 0 214.378 2.029 10 0 BEAERO Nc1ccc2c(c1)CC[C@H](C[NH+]1CCCC1)C2 ZINC000145136541 343138672 /nfs/dbraw/zinc/13/86/72/343138672.db2.gz AXGKRHLWQFVXED-LBPRGKRZSA-N 1 0 230.355 2.470 10 0 BEAERO COc1ccc2c(c1)/C(=C/C[NH3+])CCC2 ZINC000036438686 343142981 /nfs/dbraw/zinc/14/29/81/343142981.db2.gz MWEUQVRSDPFXDI-YRNVUSSQSA-N 1 0 203.285 2.374 10 0 BEAERO CC(C)c1nsc(N[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000129530153 343177882 /nfs/dbraw/zinc/17/78/82/343177882.db2.gz LENQCTIFGMGFOW-RKDXNWHRSA-N 1 0 240.376 2.214 10 0 BEAERO Cc1ccc(C)c([C@@](O)(C[NH3+])C(F)(F)F)c1 ZINC000062784535 178500187 /nfs/dbraw/zinc/50/01/87/178500187.db2.gz BPFCLEVACOBHHA-JTQLQIEISA-N 1 0 233.233 2.012 10 0 BEAERO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000130864193 343182130 /nfs/dbraw/zinc/18/21/30/343182130.db2.gz CXKWXSPMZTVFHZ-AVGNSLFASA-N 1 0 240.391 2.173 10 0 BEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000130864625 343182338 /nfs/dbraw/zinc/18/23/38/343182338.db2.gz CXKWXSPMZTVFHZ-RWMBFGLXSA-N 1 0 240.391 2.173 10 0 BEAERO COc1ccc2c(c1)O[C@H](C1CC1)C[C@H]2[NH3+] ZINC000130806150 343182352 /nfs/dbraw/zinc/18/23/52/343182352.db2.gz LIAKNAIBMWJCBB-NEPJUHHUSA-N 1 0 219.284 2.256 10 0 BEAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCc3ccccc32)C1 ZINC000097092553 343155328 /nfs/dbraw/zinc/15/53/28/343155328.db2.gz VQMFXWSVZHBINV-STQMWFEESA-N 1 0 244.338 2.093 10 0 BEAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)C1CC1 ZINC000237528733 136272291 /nfs/dbraw/zinc/27/22/91/136272291.db2.gz PYJKVHZYYRADFY-FZZIBODNSA-N 1 0 217.312 2.033 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000126047040 343168336 /nfs/dbraw/zinc/16/83/36/343168336.db2.gz XXHPHVYFYKGZCC-TUAOUCFPSA-N 1 0 226.364 2.055 10 0 BEAERO Cc1cc(C[NH2+]CC2(O)CCC2)cc(C)c1O ZINC000127360134 343168927 /nfs/dbraw/zinc/16/89/27/343168927.db2.gz AAMREVIPIRDQGJ-UHFFFAOYSA-N 1 0 235.327 2.014 10 0 BEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC000245719122 136272423 /nfs/dbraw/zinc/27/24/23/136272423.db2.gz DDVHQPVYZRFYQN-HZSPNIEDSA-N 1 0 239.359 2.197 10 0 BEAERO CC[C@H](C[NH2+][C@@H]1C[C@H]1CO)c1ccccc1 ZINC000310018035 343175553 /nfs/dbraw/zinc/17/55/53/343175553.db2.gz LVGQVLJUDNDKQE-KWCYVHTRSA-N 1 0 219.328 2.151 10 0 BEAERO CN(Cc1ccc2c(c1)C[NH2+]CC2)CC(F)F ZINC000136855039 343197539 /nfs/dbraw/zinc/19/75/39/343197539.db2.gz OKBKWMNNRZSRHI-UHFFFAOYSA-N 1 0 240.297 2.029 10 0 BEAERO C[C@@H](CC[NH2+]C1COC1)c1ccccc1 ZINC000082488684 136276625 /nfs/dbraw/zinc/27/66/25/136276625.db2.gz GFPXOHPDHDYZAR-NSHDSACASA-N 1 0 205.301 2.169 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccoc1 ZINC000133146881 343189680 /nfs/dbraw/zinc/18/96/80/343189680.db2.gz RBCADYRCSBUVSZ-SNVBAGLBSA-N 1 0 209.289 2.093 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000071000882 343224628 /nfs/dbraw/zinc/22/46/28/343224628.db2.gz KCDGCTAOJANRDK-DTWKUNHWSA-N 1 0 209.293 2.049 10 0 BEAERO CC(C)(C)OC(=O)N1CC([C@@H]([NH3+])C(C)(C)C)C1 ZINC000406708764 343226524 /nfs/dbraw/zinc/22/65/24/343226524.db2.gz KZEONNVJDQYDJO-SNVBAGLBSA-N 1 0 242.363 2.227 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](CCC1CC1)CC2 ZINC000088023483 136283627 /nfs/dbraw/zinc/28/36/27/136283627.db2.gz FGIPUCAFIZMHPC-UONOGXRCSA-N 1 0 223.360 2.414 10 0 BEAERO CC(C)Cn1c(N)[nH+]c2cc(F)ccc21 ZINC000036899203 187250056 /nfs/dbraw/zinc/25/00/56/187250056.db2.gz GZXGDPLRKQMDPS-UHFFFAOYSA-N 1 0 207.252 2.414 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1cccs1 ZINC000035138581 343286255 /nfs/dbraw/zinc/28/62/55/343286255.db2.gz VPZZWQRHJIPXLS-BDAKNGLRSA-N 1 0 238.356 2.066 10 0 BEAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(N)=O)cc1 ZINC000035138481 343286391 /nfs/dbraw/zinc/28/63/91/343286391.db2.gz SMQLVNPHQHVTMH-QWRGUYRKSA-N 1 0 234.343 2.334 10 0 BEAERO CC(C)CC(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000019843757 187252467 /nfs/dbraw/zinc/25/24/67/187252467.db2.gz JMDKYVHHQUNMNQ-GFCCVEGCSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)[C@@H]([NH3+])c1nncn1C1CCCCC1 ZINC000019477101 187252540 /nfs/dbraw/zinc/25/25/40/187252540.db2.gz ZHPBQMARZSSISN-LLVKDONJSA-N 1 0 222.336 2.439 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)C1 ZINC000084226244 136290932 /nfs/dbraw/zinc/29/09/32/136290932.db2.gz LLSFEIIQUZFFDH-VOAKCMCISA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000019726156 187252761 /nfs/dbraw/zinc/25/27/61/187252761.db2.gz BVBITGJBHKLMJK-NSHDSACASA-N 1 0 221.300 2.156 10 0 BEAERO Cc1ncc(C2(C[NH3+])CCC(F)(F)CC2)cn1 ZINC000217367043 343277246 /nfs/dbraw/zinc/27/72/46/343277246.db2.gz JGRLAPVPPSXJTL-UHFFFAOYSA-N 1 0 241.285 2.191 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1ncn(C)n1)[C@H]1CC1(C)C ZINC000397584890 262927240 /nfs/dbraw/zinc/92/72/40/262927240.db2.gz GZUZMAMSWRVYAJ-MXWKQRLJSA-N 1 0 236.363 2.290 10 0 BEAERO Fc1cc2c(c([C@@H]3CCC[NH2+]3)c1)OCCO2 ZINC000217551334 343280011 /nfs/dbraw/zinc/28/00/11/343280011.db2.gz UXEQOXQYQOWDPN-JTQLQIEISA-N 1 0 223.247 2.021 10 0 BEAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000036803977 343324098 /nfs/dbraw/zinc/32/40/98/343324098.db2.gz SVNHTXYQINJLML-QMMMGPOBSA-N 1 0 243.253 2.179 10 0 BEAERO [NH3+][C@@H](CO)c1ccc(-c2ccccc2)cc1 ZINC000036949517 343328269 /nfs/dbraw/zinc/32/82/69/343328269.db2.gz DRGRSSFCCDTWRF-AWEZNQCLSA-N 1 0 213.280 2.346 10 0 BEAERO C[N@@H+]1CCC[C@H]2Cc3cc(O)ccc3C[C@H]21 ZINC000200462813 343295648 /nfs/dbraw/zinc/29/56/48/343295648.db2.gz UJPVZDLSMSKCGV-SMDDNHRTSA-N 1 0 217.312 2.201 10 0 BEAERO CC(=O)NCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000035019006 187256997 /nfs/dbraw/zinc/25/69/97/187256997.db2.gz ODOSEKMGFDNYBY-CQSZACIVSA-N 1 0 234.343 2.109 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2ccccc2[nH]1 ZINC000038050681 343367856 /nfs/dbraw/zinc/36/78/56/343367856.db2.gz QOFLSJOPNUNVRI-ZJUUUORDSA-N 1 0 230.315 2.245 10 0 BEAERO Cc1ccc2c(c1)CC[C@H]2C1=[NH+]CCN1 ZINC000039111307 187256039 /nfs/dbraw/zinc/25/60/39/187256039.db2.gz CIUWFCKGOVODNC-GFCCVEGCSA-N 1 0 200.285 2.027 10 0 BEAERO COC(=O)CCC[C@H]([NH3+])c1ccccc1 ZINC000037483808 343346698 /nfs/dbraw/zinc/34/66/98/343346698.db2.gz IXZCCXDCGSTPLB-NSHDSACASA-N 1 0 207.273 2.030 10 0 BEAERO CCCCN(CC)C(=O)C1CCC([NH3+])CC1 ZINC000037481732 343346723 /nfs/dbraw/zinc/34/67/23/343346723.db2.gz ZMHJJBZERNXIQW-UHFFFAOYSA-N 1 0 226.364 2.153 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000037490853 343347276 /nfs/dbraw/zinc/34/72/76/343347276.db2.gz CDSPVIXXJWCQDG-KGLIPLIRSA-N 1 0 219.328 2.388 10 0 BEAERO CCOc1ccc(C[C@@H](C)[NH3+])cc1OCC ZINC000037726118 343353115 /nfs/dbraw/zinc/35/31/15/343353115.db2.gz AZDKIWDNHVWQDL-SNVBAGLBSA-N 1 0 223.316 2.374 10 0 BEAERO CCc1[nH]c(=O)c2ccccc2c1C[NH+](C)C ZINC000039102940 343384477 /nfs/dbraw/zinc/38/44/77/343384477.db2.gz DOKFFQBBXTWYCG-UHFFFAOYSA-N 1 0 230.311 2.152 10 0 BEAERO Cc1oc(C(C)(C)C)cc1C(=O)CC[NH3+] ZINC000039105806 343384893 /nfs/dbraw/zinc/38/48/93/343384893.db2.gz AUXWXCNZHFPJJM-UHFFFAOYSA-N 1 0 209.289 2.417 10 0 BEAERO CC[C@H](CC[NH3+])NC(=O)OCc1ccccc1 ZINC000039952299 343393633 /nfs/dbraw/zinc/39/36/33/343393633.db2.gz FFSDFBUXIKTRNW-GFCCVEGCSA-N 1 0 236.315 2.040 10 0 BEAERO [NH3+][C@@H]1c2cc(C(F)(F)F)ccc2CCC[C@H]1O ZINC000039941543 343393898 /nfs/dbraw/zinc/39/38/98/343393898.db2.gz TXQOOWJKBQMOQK-GHMZBOCLSA-N 1 0 245.244 2.402 10 0 BEAERO CC(C)(C)[C@H](c1ccc[nH]1)N1CC[NH2+]CC1 ZINC000076610917 187261498 /nfs/dbraw/zinc/26/14/98/187261498.db2.gz PMFHYEMITVVAAI-LBPRGKRZSA-N 1 0 221.348 2.007 10 0 BEAERO Cc1cccc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000082593094 343449939 /nfs/dbraw/zinc/44/99/39/343449939.db2.gz SVCUFCOONUJWEF-LLVKDONJSA-N 1 0 207.321 2.175 10 0 BEAERO CCN(Cc1ccccc1)[C@H](C)C(=O)OC ZINC000043628321 343478960 /nfs/dbraw/zinc/47/89/60/343478960.db2.gz WRHMEYFYAMPHKA-LLVKDONJSA-N 1 0 221.300 2.070 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000308953574 346942380 /nfs/dbraw/zinc/94/23/80/346942380.db2.gz YKVHLJSKVFIJGO-FVCCEPFGSA-N 1 0 210.365 2.105 10 0 BEAERO [NH3+][C@H](CCO)c1c(F)ccc(Cl)c1F ZINC000044233439 343495953 /nfs/dbraw/zinc/49/59/53/343495953.db2.gz RELYCYOALAIZJR-SSDOTTSWSA-N 1 0 221.634 2.000 10 0 BEAERO C[NH2+][C@@]1(c2nccs2)CCS[C@@H]1C ZINC000234443682 343505587 /nfs/dbraw/zinc/50/55/87/343505587.db2.gz VRMOKNWSYUUGBK-APPZFPTMSA-N 1 0 214.359 2.083 10 0 BEAERO CC(C)(C)[C@@H](c1ccc[nH]1)N1CC[NH2+]CC1 ZINC000076610915 187262392 /nfs/dbraw/zinc/26/23/92/187262392.db2.gz PMFHYEMITVVAAI-GFCCVEGCSA-N 1 0 221.348 2.007 10 0 BEAERO [NH3+]CCN1CCCCC[C@@H]1c1cccc(CO)c1 ZINC000616624937 343524731 /nfs/dbraw/zinc/52/47/31/343524731.db2.gz SXNFNGDOCIUOGQ-OAHLLOKOSA-N 1 0 248.370 2.055 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2c[nH]cn2)C1 ZINC000616621736 343524913 /nfs/dbraw/zinc/52/49/13/343524913.db2.gz XDZHNYKJNSXZAV-SNVBAGLBSA-N 1 0 207.321 2.388 10 0 BEAERO C1=Cc2cc3cc4c(cc3cc2=[NH+]1)SCN=4 ZINC000045236128 343526209 /nfs/dbraw/zinc/52/62/09/343526209.db2.gz YAPBWEYBYUSXLU-UHFFFAOYSA-N 1 0 224.288 2.127 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1cccc2ncccc21 ZINC000616630732 343527166 /nfs/dbraw/zinc/52/71/66/343527166.db2.gz ALJTZQRTUYMYAD-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO CN1CC[NH+]=C1SCc1cccs1 ZINC000039109241 187263461 /nfs/dbraw/zinc/26/34/61/187263461.db2.gz LWSQGBLXMPXPBB-UHFFFAOYSA-N 1 0 212.343 2.283 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cccs1 ZINC000257680488 259363504 /nfs/dbraw/zinc/36/35/04/259363504.db2.gz JKQREEMUJCQMCB-NSHDSACASA-N 1 0 246.335 2.257 10 0 BEAERO CCC(CC)Nc1cccnc1N1CC[NH2+]CC1 ZINC000166729451 343571699 /nfs/dbraw/zinc/57/16/99/343571699.db2.gz MTIWBYZFJWTSKE-UHFFFAOYSA-N 1 0 248.374 2.092 10 0 BEAERO COc1ccc(N)cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000040716914 187263977 /nfs/dbraw/zinc/26/39/77/187263977.db2.gz ZPYLIPSMRHATEN-SNVBAGLBSA-N 1 0 220.316 2.119 10 0 BEAERO C[C@H]1C[C@H](C)N(Cc2nnc(Cl)s2)C1 ZINC000157780972 343555526 /nfs/dbraw/zinc/55/55/26/343555526.db2.gz KIYXFUSGHSYDIF-BQBZGAKWSA-N 1 0 231.752 2.422 10 0 BEAERO CC(C)c1nc(-c2ccc(C[NH3+])cc2)n[nH]1 ZINC000041058503 187264170 /nfs/dbraw/zinc/26/41/70/187264170.db2.gz KRAYCCZEKVIEOZ-UHFFFAOYSA-N 1 0 216.288 2.054 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2cccnc2)C[C@@H](C)O1 ZINC000282177402 187342867 /nfs/dbraw/zinc/34/28/67/187342867.db2.gz JSWXSECIOQMYMZ-VXGBXAGGSA-N 1 0 234.343 2.375 10 0 BEAERO CCN1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000712574358 537790939 /nfs/dbraw/zinc/79/09/39/537790939.db2.gz CBZIMWPNUPWCED-UHFFFAOYSA-N 1 0 236.384 2.205 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1cc(Cl)ccc1F ZINC000083264962 187267298 /nfs/dbraw/zinc/26/72/98/187267298.db2.gz NZDWHHLKGZXMMZ-QWRGUYRKSA-N 1 0 231.698 2.496 10 0 BEAERO Cc1nnsc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712545566 537792203 /nfs/dbraw/zinc/79/22/03/537792203.db2.gz RLZDINSYISRBPP-QMMMGPOBSA-N 1 0 237.353 2.143 10 0 BEAERO C[C@H]1C[C@]2(CCN1C)[NH2+]CCc1ccsc12 ZINC000712553348 537792307 /nfs/dbraw/zinc/79/23/07/537792307.db2.gz RCSQXFGBYHOGMZ-GWCFXTLKSA-N 1 0 236.384 2.203 10 0 BEAERO Cc1nccn1[C@H](C[NH3+])c1ccccc1C ZINC000043037725 187267598 /nfs/dbraw/zinc/26/75/98/187267598.db2.gz IDBZRGSQORSXPN-CYBMUJFWSA-N 1 0 215.300 2.048 10 0 BEAERO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C)C2)cc1N ZINC000053247572 178555500 /nfs/dbraw/zinc/55/55/00/178555500.db2.gz RVBWLGPGHUMJBG-AWEZNQCLSA-N 1 0 247.386 2.103 10 0 BEAERO CCSCC[NH2+]CCCOC(C)C ZINC000053616523 346949457 /nfs/dbraw/zinc/94/94/57/346949457.db2.gz KYRHZRVFTWHGCB-UHFFFAOYSA-N 1 0 205.367 2.144 10 0 BEAERO COc1ccc(C[NH2+][C@@H](C)c2cccs2)nn1 ZINC000283238819 187343517 /nfs/dbraw/zinc/34/35/17/187343517.db2.gz UPWYOXCXRZTTSH-VIFPVBQESA-N 1 0 249.339 2.398 10 0 BEAERO Cc1ccc(C[NH3+])c(OC2CCCC2)n1 ZINC000043396104 178561362 /nfs/dbraw/zinc/56/13/62/178561362.db2.gz YCIVQACAIXDKPO-UHFFFAOYSA-N 1 0 206.289 2.170 10 0 BEAERO COC(=O)C[C@](C)([NH3+])c1ccc(Cl)cc1 ZINC000086851218 343631097 /nfs/dbraw/zinc/63/10/97/343631097.db2.gz VWMKAMWFGCFHCX-NSHDSACASA-N 1 0 227.691 2.077 10 0 BEAERO CSC1(C[NH2+][C@@H]2CCC[C@H](O)C2)CCC1 ZINC000379956286 343659675 /nfs/dbraw/zinc/65/96/75/343659675.db2.gz GDZPNDLEPSRMDT-MNOVXSKESA-N 1 0 229.389 2.165 10 0 BEAERO CCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023414 343693664 /nfs/dbraw/zinc/69/36/64/343693664.db2.gz ATFICSAHQJDBCD-CHWSQXEVSA-N 1 0 211.349 2.414 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccccn2)C1 ZINC000616613424 349837590 /nfs/dbraw/zinc/83/75/90/349837590.db2.gz JUIVXWLHVZTWFN-NSHDSACASA-N 1 0 219.332 2.366 10 0 BEAERO CC(=O)CCCC[N@@H+](C)CCc1ccncc1 ZINC000048260590 187269464 /nfs/dbraw/zinc/26/94/64/187269464.db2.gz CYPZKBISEKUCET-UHFFFAOYSA-N 1 0 234.343 2.315 10 0 BEAERO Cc1ccc(C)c(C[C@@H]([NH3+])[C@H]2CCOC2)c1 ZINC000053143663 187270899 /nfs/dbraw/zinc/27/08/99/187270899.db2.gz MMCPYCGBHJSMBT-GXTWGEPZSA-N 1 0 219.328 2.210 10 0 BEAERO COc1ccc([C@H](O)C[NH2+]C(C)(C)C)cc1F ZINC000049830550 187270353 /nfs/dbraw/zinc/27/03/53/187270353.db2.gz OUMZHVHIHXEAGX-LLVKDONJSA-N 1 0 241.306 2.256 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](N(C)Cc2ccccc2)C1 ZINC000401832737 343735971 /nfs/dbraw/zinc/73/59/71/343735971.db2.gz JLZZTIWHHRYUPG-OCCSQVGLSA-N 1 0 218.344 2.116 10 0 BEAERO CSc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789255 343744710 /nfs/dbraw/zinc/74/47/10/343744710.db2.gz KRFFWIOCTXTEDK-UHFFFAOYSA-N 1 0 200.694 2.346 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1ncccc1Br ZINC000063025650 343748084 /nfs/dbraw/zinc/74/80/84/343748084.db2.gz JYMQPSDLDDYTNW-SECBINFHSA-N 1 0 243.148 2.370 10 0 BEAERO Cc1nn(C)c(C)c1-c1ncc([C@H](C)[NH3+])s1 ZINC000054160527 187271892 /nfs/dbraw/zinc/27/18/92/187271892.db2.gz MMDHWSNLZBHSOL-LURJTMIESA-N 1 0 236.344 2.180 10 0 BEAERO C(c1noc(C2CCCC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000063084626 187273722 /nfs/dbraw/zinc/27/37/22/187273722.db2.gz OKVURXLWJPPAHW-JTQLQIEISA-N 1 0 235.331 2.269 10 0 BEAERO C[NH2+][C@H]1CCC[C@H]1c1nc(-c2ccco2)no1 ZINC000109508526 343786184 /nfs/dbraw/zinc/78/61/84/343786184.db2.gz LVTBYLIFINBTGD-BDAKNGLRSA-N 1 0 233.271 2.185 10 0 BEAERO CNc1cc(NCC(F)(F)F)nc(C2CC2)[nH+]1 ZINC000126912361 343787588 /nfs/dbraw/zinc/78/75/88/343787588.db2.gz BXTYLWIFJWRENW-UHFFFAOYSA-N 1 0 246.236 2.370 10 0 BEAERO CCn1c2ccc(C)cc2nc1[C@H]1CC[NH2+]C1 ZINC000062119372 187273298 /nfs/dbraw/zinc/27/32/98/187273298.db2.gz OBXNXMJVZOQFLF-NSHDSACASA-N 1 0 229.327 2.442 10 0 BEAERO [NH3+][C@H]1CC[C@H](Oc2ccc(Cl)cn2)CC1 ZINC000299892107 343796760 /nfs/dbraw/zinc/79/67/60/343796760.db2.gz NFIWPKCXJQJXOJ-MGCOHNPYSA-N 1 0 226.707 2.384 10 0 BEAERO C[C@H](CO)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000128383230 346981061 /nfs/dbraw/zinc/98/10/61/346981061.db2.gz JQGULXLRORLSKV-JTQLQIEISA-N 1 0 227.735 2.400 10 0 BEAERO CCOc1cccc([C@@H]2C[NH2+]C[C@@H]2CF)c1 ZINC000409423705 343815942 /nfs/dbraw/zinc/81/59/42/343815942.db2.gz UIWLSRHZLVRUGQ-AAEUAGOBSA-N 1 0 223.291 2.358 10 0 BEAERO C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000409424853 343817763 /nfs/dbraw/zinc/81/77/63/343817763.db2.gz YWJVYHINTULTFB-OCCSQVGLSA-N 1 0 219.328 2.074 10 0 BEAERO C[C@H]1C[C@H](c2ccc3c(c2)OCCCO3)C[NH2+]1 ZINC000071202243 187275632 /nfs/dbraw/zinc/27/56/32/187275632.db2.gz GGWOKHWUKIWMGH-JQWIXIFHSA-N 1 0 233.311 2.313 10 0 BEAERO CCn1nc(C2CC[NH2+]CC2)c2c1CCCC2 ZINC000409440006 343853863 /nfs/dbraw/zinc/85/38/63/343853863.db2.gz RFPOWQWGTDNRKH-UHFFFAOYSA-N 1 0 233.359 2.249 10 0 BEAERO CC[C@@H]([NH2+]C[C@H](COC)OC)C(C)(C)C ZINC000309219252 346994193 /nfs/dbraw/zinc/99/41/93/346994193.db2.gz UYZLZRAMCIIOIH-GHMZBOCLSA-N 1 0 217.353 2.062 10 0 BEAERO CC(C)(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000409433575 343829085 /nfs/dbraw/zinc/82/90/85/343829085.db2.gz STCOZWUYKYDOOB-KBPBESRZSA-N 1 0 232.371 2.492 10 0 BEAERO CC(C)(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000409433778 343830526 /nfs/dbraw/zinc/83/05/26/343830526.db2.gz STCOZWUYKYDOOB-ZIAGYGMSSA-N 1 0 232.371 2.492 10 0 BEAERO CC(C)(C[NH3+])c1ccc(-c2cccs2)nn1 ZINC000409433277 343832233 /nfs/dbraw/zinc/83/22/33/343832233.db2.gz ZTEOFHSVOJKIEN-UHFFFAOYSA-N 1 0 233.340 2.441 10 0 BEAERO FC1(F)[C@H](C2CCOCC2)C12CC[NH2+]CC2 ZINC000409436710 343836678 /nfs/dbraw/zinc/83/66/78/343836678.db2.gz XBABDYCPPRPOEC-SNVBAGLBSA-N 1 0 231.286 2.048 10 0 BEAERO O=c1cc(-c2ccsc2)[n-]n1C[C@H]1CCC[NH2+]1 ZINC000409436868 343841226 /nfs/dbraw/zinc/84/12/26/343841226.db2.gz BRZTUSAZDJKXGG-SNVBAGLBSA-N 1 0 249.339 2.069 10 0 BEAERO CC(C)Cn1cc(CC(N)=[NH2+])c(C(F)(F)F)n1 ZINC000409437057 343842450 /nfs/dbraw/zinc/84/24/50/343842450.db2.gz DBWZCNZXTZRKSK-UHFFFAOYSA-N 1 0 248.252 2.036 10 0 BEAERO c1cc(-c2cnn(C[C@H]3CCC[NH2+]3)c2)cs1 ZINC000409437503 343843632 /nfs/dbraw/zinc/84/36/32/343843632.db2.gz HIDGEOZPZYXOFH-GFCCVEGCSA-N 1 0 233.340 2.364 10 0 BEAERO [NH3+]Cc1c(-c2ccco2)n[nH]c1C1CC1 ZINC000409438810 343845353 /nfs/dbraw/zinc/84/53/53/343845353.db2.gz GBLUSQBIMNGHFW-UHFFFAOYSA-N 1 0 203.245 2.006 10 0 BEAERO CC(C)Cn1cc(C[NH3+])c(-c2cccnc2)n1 ZINC000409438965 343845812 /nfs/dbraw/zinc/84/58/12/343845812.db2.gz NFZOLCWUOCHGSE-UHFFFAOYSA-N 1 0 230.315 2.060 10 0 BEAERO CCc1[nH]nc(-c2ccco2)c1CCC(N)=[NH2+] ZINC000409439078 343846304 /nfs/dbraw/zinc/84/63/04/343846304.db2.gz GPQKHOHSDBCNFC-UHFFFAOYSA-N 1 0 232.287 2.101 10 0 BEAERO [NH3+]CCc1c(C2CCC2)n[nH]c1C1CCC1 ZINC000409439076 343846457 /nfs/dbraw/zinc/84/64/57/343846457.db2.gz GPERTSNBYHHMNQ-UHFFFAOYSA-N 1 0 219.332 2.446 10 0 BEAERO CCn1cc(CC[NH3+])c(-c2ccsc2)n1 ZINC000409439350 343846779 /nfs/dbraw/zinc/84/67/79/343846779.db2.gz OXXREMJPKDZDSB-UHFFFAOYSA-N 1 0 221.329 2.133 10 0 BEAERO CCc1[nH]nc(-c2ccsc2)c1C[NH2+]C ZINC000409437967 343849212 /nfs/dbraw/zinc/84/92/12/343849212.db2.gz BHCUPLXLQMSOMW-UHFFFAOYSA-N 1 0 221.329 2.420 10 0 BEAERO CCc1[nH]nc(-c2ccccc2)c1CC[NH3+] ZINC000409438330 343850227 /nfs/dbraw/zinc/85/02/27/343850227.db2.gz CUMWSJQHJCESON-UHFFFAOYSA-N 1 0 215.300 2.140 10 0 BEAERO [NH3+]CCc1c(-c2ccccc2)n[nH]c1C1CC1 ZINC000409438339 343850396 /nfs/dbraw/zinc/85/03/96/343850396.db2.gz CVPGKQKETHPGMW-UHFFFAOYSA-N 1 0 227.311 2.455 10 0 BEAERO CSCC[C@H]([NH3+])c1ncc2ccccn21 ZINC000409442154 343857187 /nfs/dbraw/zinc/85/71/87/343857187.db2.gz TVLHQTAVMVXUMZ-JTQLQIEISA-N 1 0 221.329 2.087 10 0 BEAERO Cc1nc(C)c(CO[C@@H]2CCC[NH2+]C2)s1 ZINC000585144332 343879586 /nfs/dbraw/zinc/87/95/86/343879586.db2.gz LMEKQIZAUKGIPE-SNVBAGLBSA-N 1 0 226.345 2.029 10 0 BEAERO Cc1nc(C)c(COC[C@H]2CCC[NH2+]2)s1 ZINC000585144561 343879615 /nfs/dbraw/zinc/87/96/15/343879615.db2.gz SKFRZRJMWYHTSB-SNVBAGLBSA-N 1 0 226.345 2.029 10 0 BEAERO [NH3+]Cc1cn(CCF)nc1-c1cccs1 ZINC000409441731 343860753 /nfs/dbraw/zinc/86/07/53/343860753.db2.gz ZSWJEKQXLRELNC-UHFFFAOYSA-N 1 0 225.292 2.040 10 0 BEAERO [NH3+]Cc1c(-c2ccccc2)n[nH]c1C1CC1 ZINC000409441885 343861621 /nfs/dbraw/zinc/86/16/21/343861621.db2.gz UJJYTHNFLIUHFA-UHFFFAOYSA-N 1 0 213.284 2.413 10 0 BEAERO CCn1nc(-c2ccccc2)cc1C[NH2+]C ZINC000409442926 343865055 /nfs/dbraw/zinc/86/50/55/343865055.db2.gz DIQRXUIZPNFQPW-UHFFFAOYSA-N 1 0 215.300 2.289 10 0 BEAERO C[NH2+]Cc1cc(C(F)(F)F)nn1C(F)F ZINC000409443043 343865416 /nfs/dbraw/zinc/86/54/16/343865416.db2.gz FXGGQQOMJQCRDC-UHFFFAOYSA-N 1 0 229.152 2.016 10 0 BEAERO [NH3+]Cc1cc(-c2ccsc2)nn1CCF ZINC000409443294 343866560 /nfs/dbraw/zinc/86/65/60/343866560.db2.gz KQEUQCYBJORXIB-UHFFFAOYSA-N 1 0 225.292 2.040 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CC2CC(C)(C)C2)C1 ZINC000625463932 343870771 /nfs/dbraw/zinc/87/07/71/343870771.db2.gz HNMONXNFOPCXAH-ZYHUDNBSSA-N 1 0 211.349 2.125 10 0 BEAERO CC(C)Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000041053011 187354944 /nfs/dbraw/zinc/35/49/44/187354944.db2.gz IZLSRCDTFLTSIP-UHFFFAOYSA-N 1 0 223.320 2.386 10 0 BEAERO CCOc1ccc([C@H](C)N2CC[NH2+]CC2)cc1 ZINC000022118819 343906567 /nfs/dbraw/zinc/90/65/67/343906567.db2.gz DXONREKZPNWEDR-LBPRGKRZSA-N 1 0 234.343 2.052 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000634724593 343938689 /nfs/dbraw/zinc/93/86/89/343938689.db2.gz SWJYQFXRUMFACF-IJLUTSLNSA-N 1 0 209.333 2.212 10 0 BEAERO CN(c1c(N)c[nH+]cc1Br)C1CC1 ZINC000234259918 343922134 /nfs/dbraw/zinc/92/21/34/343922134.db2.gz PMVUOVPNRNPMRZ-UHFFFAOYSA-N 1 0 242.120 2.025 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000634724462 343932570 /nfs/dbraw/zinc/93/25/70/343932570.db2.gz QMIWWEHYQBMZJA-STQMWFEESA-N 1 0 241.375 2.086 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000634724460 343932627 /nfs/dbraw/zinc/93/26/27/343932627.db2.gz QMIWWEHYQBMZJA-OLZOCXBDSA-N 1 0 241.375 2.086 10 0 BEAERO [NH3+][C@]1(CCc2ccsc2)CCCOC1 ZINC000070012771 343947033 /nfs/dbraw/zinc/94/70/33/343947033.db2.gz MVSMXIGMTDGPGO-NSHDSACASA-N 1 0 211.330 2.189 10 0 BEAERO C[NH2+][C@H](C)[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000234466962 343972178 /nfs/dbraw/zinc/97/21/78/343972178.db2.gz QQPZWAMZZPFHDR-XAVMHZPKSA-N 1 0 205.392 2.220 10 0 BEAERO CC[NH2+][C@H](C)CNc1ncccc1Cl ZINC000387688946 347020287 /nfs/dbraw/zinc/02/02/87/347020287.db2.gz UUDIZTYZUCDZLJ-MRVPVSSYSA-N 1 0 213.712 2.145 10 0 BEAERO Cc1ccc(Cn2c(C)c[nH+]c2N)s1 ZINC000070622523 343953174 /nfs/dbraw/zinc/95/31/74/343953174.db2.gz ICMZMVVTLUSBGG-UHFFFAOYSA-N 1 0 207.302 2.192 10 0 BEAERO C[NH2+]Cc1cc(Br)ccc1N(C)C ZINC000234428490 343965936 /nfs/dbraw/zinc/96/59/36/343965936.db2.gz AJGPMGFKALFUNL-UHFFFAOYSA-N 1 0 243.148 2.235 10 0 BEAERO CC1(C)C[N@@H+]([C@@H]2CCCCC2=O)CCS1 ZINC000135214920 343968537 /nfs/dbraw/zinc/96/85/37/343968537.db2.gz GDQBUFLMEXYMRU-SNVBAGLBSA-N 1 0 227.373 2.326 10 0 BEAERO CC[C@@H]1CN(Cc2ccco2)[C@H](C(C)C)C[NH2+]1 ZINC000083364146 187284994 /nfs/dbraw/zinc/28/49/94/187284994.db2.gz FXDWUYSMRGSCFW-OCCSQVGLSA-N 1 0 236.359 2.488 10 0 BEAERO Cc1cnc(SC[C@H]2CC[NH2+]C2)nc1Cl ZINC000095068738 187286709 /nfs/dbraw/zinc/28/67/09/187286709.db2.gz AXCAAMWGFGYFHM-QMMMGPOBSA-N 1 0 243.763 2.140 10 0 BEAERO CC(C)(C)Oc1c[nH+]c(N)cc1OC1CC1 ZINC000095723892 187287670 /nfs/dbraw/zinc/28/76/70/187287670.db2.gz VFYAPDCETVTFTQ-UHFFFAOYSA-N 1 0 222.288 2.382 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)c(C)c1 ZINC000125766520 178630004 /nfs/dbraw/zinc/63/00/04/178630004.db2.gz ARDBVGSRGLPKMP-QWHCGFSZSA-N 1 0 221.344 2.410 10 0 BEAERO CSC[C@@H](C)Nc1[nH+]cc(C)cc1N ZINC000127250007 344079505 /nfs/dbraw/zinc/07/95/05/344079505.db2.gz GREZMXOQEBFSFW-MRVPVSSYSA-N 1 0 211.334 2.136 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nccn1C ZINC000130525071 344222356 /nfs/dbraw/zinc/22/23/56/344222356.db2.gz WCDCWTGAHWPVAY-GHMZBOCLSA-N 1 0 207.321 2.088 10 0 BEAERO CC[C@H]1CCC[C@H]1[NH2+]Cc1nccn1C ZINC000130525298 344222464 /nfs/dbraw/zinc/22/24/64/344222464.db2.gz WCDCWTGAHWPVAY-WDEREUQCSA-N 1 0 207.321 2.088 10 0 BEAERO Cc1ccc([C@H](C)CN[C@H]2CC[NH2+]C2)cc1 ZINC000215652844 349905760 /nfs/dbraw/zinc/90/57/60/349905760.db2.gz UZXQTQYKDAEPGR-OCCSQVGLSA-N 1 0 218.344 2.050 10 0 BEAERO C/C=C/C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000616572610 344184776 /nfs/dbraw/zinc/18/47/76/344184776.db2.gz SVKOWMINNYHJHH-DGXRNCNBSA-N 1 0 230.311 2.042 10 0 BEAERO COc1cc(C[C@H](C)[NH3+])c(OC)cc1CCF ZINC000027213551 344238392 /nfs/dbraw/zinc/23/83/92/344238392.db2.gz QLENKWFQUHHBKZ-VIFPVBQESA-N 1 0 241.306 2.106 10 0 BEAERO Cc1ccccc1NC(=O)O[C@@H]1CC[N@@H+](C)C1 ZINC000002010161 362373560 /nfs/dbraw/zinc/37/35/60/362373560.db2.gz DTAAMVZDTXCCDV-LLVKDONJSA-N 1 0 234.299 2.248 10 0 BEAERO CO[C@@H](C)[C@@H](C)[NH2+]CCc1ccsc1 ZINC000132299808 344298019 /nfs/dbraw/zinc/29/80/19/344298019.db2.gz WQICCCWYHMOFCB-ZJUUUORDSA-N 1 0 213.346 2.304 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000133138308 344314128 /nfs/dbraw/zinc/31/41/28/344314128.db2.gz RWGRUPSTUBZCAR-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO CCC[C@H](C)C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000133138535 344314462 /nfs/dbraw/zinc/31/44/62/344314462.db2.gz RWGRUPSTUBZCAR-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO CCC[C@H](C)C[NH2+]C[C@@](C)(O)CSC ZINC000133271149 344315905 /nfs/dbraw/zinc/31/59/05/344315905.db2.gz NTMZVNWSUAMJDD-WDEREUQCSA-N 1 0 219.394 2.126 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CN1c1nc2ccccc2s1 ZINC000385106023 344326387 /nfs/dbraw/zinc/32/63/87/344326387.db2.gz QWDJXXMKTZDEIY-DTWKUNHWSA-N 1 0 233.340 2.222 10 0 BEAERO [NH3+]C[C@H](F)Cc1nc2ccccc2s1 ZINC000158057652 344330813 /nfs/dbraw/zinc/33/08/13/344330813.db2.gz IQGXZCZRZZLDGM-SSDOTTSWSA-N 1 0 210.277 2.136 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)C1CCCC1 ZINC000158061429 344333831 /nfs/dbraw/zinc/33/38/31/344333831.db2.gz GTBXIQCGTYUWDQ-WDEREUQCSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1ccc(Cl)c(OCC[C@@H](O)CC[NH3+])c1 ZINC000041289596 178657860 /nfs/dbraw/zinc/65/78/60/178657860.db2.gz UUIYTKUFMGTIQR-JTQLQIEISA-N 1 0 243.734 2.127 10 0 BEAERO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(C=O)o2)C1 ZINC000158062388 344354618 /nfs/dbraw/zinc/35/46/18/344354618.db2.gz RTNCXOAHXBJOAF-UWVGGRQHSA-N 1 0 207.273 2.322 10 0 BEAERO [NH3+][C@H]1CCCCC[C@@H]1Sc1ncc[nH]1 ZINC000236332743 344355964 /nfs/dbraw/zinc/35/59/64/344355964.db2.gz UURBEXCYBFWJKY-IUCAKERBSA-N 1 0 211.334 2.162 10 0 BEAERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[NH2+]C1 ZINC000095826302 344357353 /nfs/dbraw/zinc/35/73/53/344357353.db2.gz ZFMLILNNGWOORS-JTQLQIEISA-N 1 0 220.272 2.137 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1C[C@H]1CCCCC1(F)F ZINC000385264048 344384810 /nfs/dbraw/zinc/38/48/10/344384810.db2.gz QWCWPILJAMKASF-GMTAPVOTSA-N 1 0 232.318 2.233 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])c2nc(C(F)(F)F)ccc2N1 ZINC000218061654 344434188 /nfs/dbraw/zinc/43/41/88/344434188.db2.gz OMBQLJBDANDAIU-NTSWFWBYSA-N 1 0 231.221 2.304 10 0 BEAERO COC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000300094514 344388788 /nfs/dbraw/zinc/38/87/88/344388788.db2.gz WRWNIMNTIZGVHG-QLFBSQMISA-N 1 0 249.354 2.267 10 0 BEAERO COc1ccc(Br)c([C@@H]2C[C@@H]2[NH3+])c1 ZINC000234945470 344493947 /nfs/dbraw/zinc/49/39/47/344493947.db2.gz UWIHBCRGOXQXHF-WPRPVWTQSA-N 1 0 242.116 2.272 10 0 BEAERO F[C@H](Cc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000158262294 344576341 /nfs/dbraw/zinc/57/63/41/344576341.db2.gz DLOWSTKRKBEXPR-RKDXNWHRSA-N 1 0 214.309 2.023 10 0 BEAERO CCCCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259075111 534962629 /nfs/dbraw/zinc/96/26/29/534962629.db2.gz OSUNDZHOSZEILU-NSHDSACASA-N 1 0 226.364 2.153 10 0 BEAERO FC1(F)Oc2cccc([C@@H]3CC[NH2+]3)c2O1 ZINC000044257957 344537065 /nfs/dbraw/zinc/53/70/65/344537065.db2.gz IJMBNYPHMRKFTA-ZETCQYMHSA-N 1 0 213.183 2.043 10 0 BEAERO F[C@@H](Cc1nccs1)C1CC[NH2+]CC1 ZINC000158138742 344551519 /nfs/dbraw/zinc/55/15/19/344551519.db2.gz VEEQBKPULDTLHD-VIFPVBQESA-N 1 0 214.309 2.023 10 0 BEAERO Fc1ccc(F)c([C@]2(F)CC[NH2+]C2)c1 ZINC000158184438 344561305 /nfs/dbraw/zinc/56/13/05/344561305.db2.gz MATXFBAEOQTDFJ-JTQLQIEISA-N 1 0 201.191 2.123 10 0 BEAERO C[C@](F)(C[NH3+])Cc1cc(F)ccc1F ZINC000158231858 344569785 /nfs/dbraw/zinc/56/97/85/344569785.db2.gz PIXORBAHICTHMX-SNVBAGLBSA-N 1 0 203.207 2.194 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+]CC1(C)CCC1 ZINC000336772926 537850993 /nfs/dbraw/zinc/85/09/93/537850993.db2.gz YFEHKBFVXQYFGL-LBPRGKRZSA-N 1 0 212.381 2.497 10 0 BEAERO C[NH2+][C@@H]1CC[C@H](Cc2nccs2)[C@@H]1C ZINC000226740169 344598160 /nfs/dbraw/zinc/59/81/60/344598160.db2.gz HKKNCUHKRYHPML-IVZWLZJFSA-N 1 0 210.346 2.320 10 0 BEAERO [NH3+][C@H]1CC[C@@](F)(CC2CCOCC2)C1 ZINC000158286376 344582691 /nfs/dbraw/zinc/58/26/91/344582691.db2.gz RLEHFKCDMHXIBQ-WDEREUQCSA-N 1 0 201.285 2.023 10 0 BEAERO CCn1cc[nH+]c1NC1CCSCC1 ZINC000220795952 344583234 /nfs/dbraw/zinc/58/32/34/344583234.db2.gz WMZDMUQBZYVNIR-UHFFFAOYSA-N 1 0 211.334 2.211 10 0 BEAERO CC(C)C[C@@H](C)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400408733 537853570 /nfs/dbraw/zinc/85/35/70/537853570.db2.gz ROMPDCYJOYENHL-KOLCDFICSA-N 1 0 207.321 2.279 10 0 BEAERO CCn1nccc1-c1ccc(C[NH3+])c(C)c1 ZINC000395318871 362451086 /nfs/dbraw/zinc/45/10/86/362451086.db2.gz SPLLJIVTCWJEFB-UHFFFAOYSA-N 1 0 215.300 2.337 10 0 BEAERO CC(C)(C)[C@@](F)(C[NH3+])C1CCOCC1 ZINC000158366851 344611270 /nfs/dbraw/zinc/61/12/70/344611270.db2.gz RAQVYKIXIUPCNI-LLVKDONJSA-N 1 0 203.301 2.126 10 0 BEAERO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000129086063 178686808 /nfs/dbraw/zinc/68/68/08/178686808.db2.gz XHRFFYCUUOWBHI-SMDDNHRTSA-N 1 0 237.318 2.385 10 0 BEAERO [NH3+][C@@H]1CCC[C@](F)(Cc2nccs2)C1 ZINC000158425696 344649411 /nfs/dbraw/zinc/64/94/11/344649411.db2.gz HPUMCFIZYAKRPG-PSASIEDQSA-N 1 0 214.309 2.295 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403389510 344654814 /nfs/dbraw/zinc/65/48/14/344654814.db2.gz QEEBWGUTAWEIMQ-DDHJBXDOSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)c1ccc(C(=O)CN2CC[C@H]([NH3+])C2)cc1 ZINC000050242532 344660357 /nfs/dbraw/zinc/66/03/57/344660357.db2.gz ZKVTXKZLQXFXPN-AWEZNQCLSA-N 1 0 246.354 2.026 10 0 BEAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](SC2COC2)C1 ZINC000221125455 344681864 /nfs/dbraw/zinc/68/18/64/344681864.db2.gz YSMONZBHLITDKZ-MIMYLULJSA-N 1 0 215.362 2.024 10 0 BEAERO Cc1ccc(N(C)C2CC[NH2+]CC2)c(C)c1 ZINC000049986691 178696832 /nfs/dbraw/zinc/69/68/32/178696832.db2.gz LDHZDEAWOARJOZ-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1ccc(N(C)C2CC[NH2+]CC2)cc1 ZINC000050004358 178696861 /nfs/dbraw/zinc/69/68/61/178696861.db2.gz SQNUCMXITMGEKT-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO [NH3+][C@H]1CC[C@H]1Cc1ccc(Br)cn1 ZINC000161918592 344637316 /nfs/dbraw/zinc/63/73/16/344637316.db2.gz VXKUYMPVLBNKOH-XVKPBYJWSA-N 1 0 241.132 2.124 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CC ZINC000348160102 344641932 /nfs/dbraw/zinc/64/19/32/344641932.db2.gz KTHWJQPBACSHQC-MGPQQGTHSA-N 1 0 243.391 2.332 10 0 BEAERO CC[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000117342854 344744598 /nfs/dbraw/zinc/74/45/98/344744598.db2.gz DDOKLDXIMQMXQS-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1nn([C@H](C)CC(N)=[NH2+])c(C)c1Cl ZINC000050586919 344715762 /nfs/dbraw/zinc/71/57/62/344715762.db2.gz CQHUCTKJIKKEJG-RXMQYKEDSA-N 1 0 214.700 2.040 10 0 BEAERO CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccccn1 ZINC000127545057 192075376 /nfs/dbraw/zinc/07/53/76/192075376.db2.gz VWLMFORMOTUGEP-DGCLKSJQSA-N 1 0 222.332 2.139 10 0 BEAERO COc1ccc([C@H](O)[C@H]([NH3+])CC(C)C)cc1C ZINC000033466277 344758428 /nfs/dbraw/zinc/75/84/28/344758428.db2.gz GEGBNEYSIHNNIN-OCCSQVGLSA-N 1 0 237.343 2.410 10 0 BEAERO C[C@@H]1CCC[C@@H]([C@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000400389285 537855696 /nfs/dbraw/zinc/85/56/96/537855696.db2.gz JURBAHRKGDTISC-CKYFFXLPSA-N 1 0 219.332 2.423 10 0 BEAERO Cc1ccc(N2CCC[C@H]2C[NH3+])cc1C ZINC000033893075 178713931 /nfs/dbraw/zinc/71/39/31/178713931.db2.gz IYOLZMIRBJZMFZ-ZDUSSCGKSA-N 1 0 204.317 2.231 10 0 BEAERO C[C@@H](C[NH3+])Nc1ccc(F)c(Cl)c1 ZINC000235110973 344800844 /nfs/dbraw/zinc/80/08/44/344800844.db2.gz ADWARXWTUUVXHI-LURJTMIESA-N 1 0 202.660 2.238 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000388690439 344849865 /nfs/dbraw/zinc/84/98/65/344849865.db2.gz LQVGFIWEKVXSTE-UPJWGTAASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCC[NH2+][C@H]1CCNC(=O)OC(C)(C)C ZINC000307728856 344851320 /nfs/dbraw/zinc/85/13/20/344851320.db2.gz ICACCNRRVDAXDM-QWRGUYRKSA-N 1 0 242.363 2.289 10 0 BEAERO Cc1ccc(NC(=O)c2c[nH+]ccc2N)c(F)c1 ZINC000126846296 178754363 /nfs/dbraw/zinc/75/43/63/178754363.db2.gz OSFADFLCSJXGBY-UHFFFAOYSA-N 1 0 245.257 2.364 10 0 BEAERO CNc1ncc(C[NH2+]C2CC2)cc1Cl ZINC000166289301 344842667 /nfs/dbraw/zinc/84/26/67/344842667.db2.gz CMFXBQROYLWNPJ-UHFFFAOYSA-N 1 0 211.696 2.029 10 0 BEAERO Cc1ccc(NC2CC[NH2+]CC2)cc1C ZINC000038040571 178757177 /nfs/dbraw/zinc/75/71/77/178757177.db2.gz UEQKPWSVQUHIFM-UHFFFAOYSA-N 1 0 204.317 2.467 10 0 BEAERO CS[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000224251996 344880090 /nfs/dbraw/zinc/88/00/90/344880090.db2.gz XYRUZXNBUUGVLT-GMTAPVOTSA-N 1 0 215.362 2.039 10 0 BEAERO Cc1csc(C[C@]2(C[NH3+])CCCS2)n1 ZINC000166494644 344908527 /nfs/dbraw/zinc/90/85/27/344908527.db2.gz SOCAOHYQYBTRTA-JTQLQIEISA-N 1 0 228.386 2.219 10 0 BEAERO C[C@H](C[NH2+]Cc1ccccc1)n1cccn1 ZINC000235452489 344916792 /nfs/dbraw/zinc/91/67/92/344916792.db2.gz XWTXDMZTLQVUKJ-GFCCVEGCSA-N 1 0 215.300 2.234 10 0 BEAERO F[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000378756122 344944426 /nfs/dbraw/zinc/94/44/26/344944426.db2.gz YEPDHBLLWRWNOW-VXGBXAGGSA-N 1 0 215.312 2.283 10 0 BEAERO [NH3+][C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 ZINC000146187255 344985180 /nfs/dbraw/zinc/98/51/80/344985180.db2.gz PQOUJGMSVPGFRX-KLPPZKSPSA-N 1 0 209.264 2.474 10 0 BEAERO CCSc1ccc([C@@H]([NH3+])CCO)cc1 ZINC000044236322 344987210 /nfs/dbraw/zinc/98/72/10/344987210.db2.gz LRKYPHWMJZJTHK-NSHDSACASA-N 1 0 211.330 2.181 10 0 BEAERO C[C@@H](CO)[N@H+](C)Cc1ccnc2ccccc12 ZINC000123151651 344987821 /nfs/dbraw/zinc/98/78/21/344987821.db2.gz DNKZHQDYDMPMOZ-NSHDSACASA-N 1 0 230.311 2.047 10 0 BEAERO Cc1ccc(F)c([C@H]([NH3+])CCO)c1Cl ZINC000044233450 344988891 /nfs/dbraw/zinc/98/88/91/344988891.db2.gz IJZGAGRGKAALGD-MRVPVSSYSA-N 1 0 217.671 2.170 10 0 BEAERO C[NH2+][C@@H]1CCCN([C@H](C)c2ccco2)C1 ZINC000247963285 344992539 /nfs/dbraw/zinc/99/25/39/344992539.db2.gz GDKHFJUURUXTQX-GHMZBOCLSA-N 1 0 208.305 2.024 10 0 BEAERO CC(=O)n1cc([C@@H]2CC[NH2+]2)c2ccccc21 ZINC000044258019 344994950 /nfs/dbraw/zinc/99/49/50/344994950.db2.gz KJKZEKOIKVBXEB-LBPRGKRZSA-N 1 0 214.268 2.336 10 0 BEAERO CC[C@H](C(N)=O)[N@H+](C)C1CCC(CC)CC1 ZINC000061679400 168515972 /nfs/dbraw/zinc/51/59/72/168515972.db2.gz RFKKMKMVRFZRQL-HTAVTVPLSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1csc(NCC[C@@H]2CCC[NH2+]2)n1 ZINC000159273852 349922266 /nfs/dbraw/zinc/92/22/66/349922266.db2.gz ONEFMHPRKTZHSH-VIFPVBQESA-N 1 0 211.334 2.006 10 0 BEAERO [NH3+]C1CCC(CNc2nccs2)CC1 ZINC000227684217 345024396 /nfs/dbraw/zinc/02/43/96/345024396.db2.gz FRTICDPGKZGGIQ-UHFFFAOYSA-N 1 0 211.334 2.073 10 0 BEAERO [NH3+][C@H](COc1ccccc1)c1ccc[nH]1 ZINC000011848759 345031266 /nfs/dbraw/zinc/03/12/66/345031266.db2.gz YFHCNOQOUMLYIC-LLVKDONJSA-N 1 0 202.257 2.094 10 0 BEAERO C[C@H]([NH3+])Cn1c2ccccc2nc1C(F)(F)F ZINC000011849641 345032908 /nfs/dbraw/zinc/03/29/08/345032908.db2.gz KDHOEFNNJGWXBL-ZETCQYMHSA-N 1 0 243.232 2.402 10 0 BEAERO COC[C@@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000238375418 345033380 /nfs/dbraw/zinc/03/33/80/345033380.db2.gz HPYUYGRGUHFGRH-SSDOTTSWSA-N 1 0 221.634 2.264 10 0 BEAERO CC1(C)C[C@H]([NH3+])c2ccc3c(c2O1)OCCO3 ZINC000011848983 345034292 /nfs/dbraw/zinc/03/42/92/345034292.db2.gz ASVARAWDKRCXPQ-VIFPVBQESA-N 1 0 235.283 2.019 10 0 BEAERO C[C@@H]([NH3+])c1ncccc1NC(=O)OC(C)(C)C ZINC000238380842 345036454 /nfs/dbraw/zinc/03/64/54/345036454.db2.gz LBHVZPGKBCQRMV-MRVPVSSYSA-N 1 0 237.303 2.448 10 0 BEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCO ZINC000125263738 345073701 /nfs/dbraw/zinc/07/37/01/345073701.db2.gz WPKZFWJFMCZOPB-ZDUSSCGKSA-N 1 0 219.328 2.282 10 0 BEAERO CC(C)[N@H+]1C[C@H](NC(=O)CC2CCC2)[C@@H](C)C1 ZINC000155364826 345077131 /nfs/dbraw/zinc/07/71/31/345077131.db2.gz ORWDYRVHWMRDLS-AAEUAGOBSA-N 1 0 238.375 2.022 10 0 BEAERO [NH3+]C1(c2ncc(Cl)cc2Br)CC1 ZINC000238570426 345080525 /nfs/dbraw/zinc/08/05/25/345080525.db2.gz YMJALDFWYZPPGF-UHFFFAOYSA-N 1 0 247.523 2.445 10 0 BEAERO CC[C@@H]([NH3+])Cc1occc1Br ZINC000044409503 345054302 /nfs/dbraw/zinc/05/43/02/345054302.db2.gz HWQKUKDHKAFXKD-ZCFIWIBFSA-N 1 0 218.094 2.322 10 0 BEAERO CC[C@@H]([NH3+])Cc1ccc(Br)cn1 ZINC000044405404 345056139 /nfs/dbraw/zinc/05/61/39/345056139.db2.gz NTBNWCFAFWUTTI-MRVPVSSYSA-N 1 0 229.121 2.124 10 0 BEAERO Cc1cc(C(C)(C)[NH3+])ncc1Br ZINC000238491742 345059527 /nfs/dbraw/zinc/05/95/27/345059527.db2.gz OZJSXQHVXDHTRK-UHFFFAOYSA-N 1 0 229.121 2.346 10 0 BEAERO Cc1cc([C@H]([NH3+])CC(F)(F)F)ccn1 ZINC000238521178 345067692 /nfs/dbraw/zinc/06/76/92/345067692.db2.gz PQVCTJZPTAHFKP-MRVPVSSYSA-N 1 0 204.195 2.342 10 0 BEAERO C[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000011958159 345089603 /nfs/dbraw/zinc/08/96/03/345089603.db2.gz CXPJIRQABJDDGX-YFKPBYRVSA-N 1 0 233.098 2.279 10 0 BEAERO [NH3+]Cc1cc(Cl)nc(OC(F)(F)F)c1 ZINC000238657717 345103235 /nfs/dbraw/zinc/10/32/35/345103235.db2.gz RQVDTFIYEZRGPC-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO [NH3+][C@@H](c1ccncc1Br)C1CC1 ZINC000238666864 345105516 /nfs/dbraw/zinc/10/55/16/345105516.db2.gz DKPRAOOBDMPVHP-SECBINFHSA-N 1 0 227.105 2.254 10 0 BEAERO [NH3+]Cc1ccc(Cl)nc1OC(F)(F)F ZINC000238680275 345108608 /nfs/dbraw/zinc/10/86/08/345108608.db2.gz MZHORQSQMSVVDC-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO CCc1nccn1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000156228684 345140688 /nfs/dbraw/zinc/14/06/88/345140688.db2.gz KTQVYXOWFCGNCV-ZDUSSCGKSA-N 1 0 233.359 2.492 10 0 BEAERO CC(C)CN1CCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000381280507 345227091 /nfs/dbraw/zinc/22/70/91/345227091.db2.gz YAUAOFQZZNYBDO-CYBMUJFWSA-N 1 0 224.392 2.497 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](C(F)F)C[C@H]2C ZINC000720941608 537891913 /nfs/dbraw/zinc/89/19/13/537891913.db2.gz RVSCVDFGAHXXSL-RNFRBKRXSA-N 1 0 201.220 2.202 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](C(F)F)C[C@H]2C ZINC000720941610 537892140 /nfs/dbraw/zinc/89/21/40/537892140.db2.gz RVSCVDFGAHXXSL-RQJHMYQMSA-N 1 0 201.220 2.202 10 0 BEAERO [NH3+][C@H]1CCCc2c1ccn2CC(F)F ZINC000148043506 345201336 /nfs/dbraw/zinc/20/13/36/345201336.db2.gz IAPGNPXEUIRKQI-QMMMGPOBSA-N 1 0 200.232 2.089 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)CCC ZINC000300228723 345285599 /nfs/dbraw/zinc/28/55/99/345285599.db2.gz BGPPYHSNEGMPFA-OLZOCXBDSA-N 1 0 231.380 2.284 10 0 BEAERO CC[C@H](C[NH2+]C1CCC1)NC(=O)OC(C)(C)C ZINC000227717027 345292368 /nfs/dbraw/zinc/29/23/68/345292368.db2.gz IJMXZRPFEUIWHI-SNVBAGLBSA-N 1 0 242.363 2.432 10 0 BEAERO Cc1ccc([C@@H]2CN(CCCF)CCO2)o1 ZINC000158941478 345390300 /nfs/dbraw/zinc/39/03/00/345390300.db2.gz AYQCGWGHUIYKQF-LBPRGKRZSA-N 1 0 227.279 2.321 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000378675652 345452741 /nfs/dbraw/zinc/45/27/41/345452741.db2.gz OSFYBXQOJRILEI-WDEREUQCSA-N 1 0 227.254 2.095 10 0 BEAERO CCc1csc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000335658609 345452752 /nfs/dbraw/zinc/45/27/52/345452752.db2.gz VFOMACIVDQIIDY-WPRPVWTQSA-N 1 0 225.361 2.115 10 0 BEAERO CCCCN(CC)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159555653 345440877 /nfs/dbraw/zinc/44/08/77/345440877.db2.gz IDLMHXMUGXOHTQ-CYBMUJFWSA-N 1 0 226.364 2.167 10 0 BEAERO C[C@@H]1[C@H]([NH3+])C[C@@H]1c1ccc(Br)o1 ZINC000228813115 345399646 /nfs/dbraw/zinc/39/96/46/345399646.db2.gz HEEKRKRYVBKTMK-LYFYHCNISA-N 1 0 230.105 2.493 10 0 BEAERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000378719291 345495340 /nfs/dbraw/zinc/49/53/40/345495340.db2.gz DZEFHMPGIPKZTO-CMPLNLGQSA-N 1 0 225.719 2.119 10 0 BEAERO Cc1ccc([C@@H](O[C@@H]2CCOC2)[C@@H](C)[NH3+])cc1 ZINC000104155301 178868846 /nfs/dbraw/zinc/86/88/46/178868846.db2.gz KZWSEVKDTDBFOU-BNOWGMLFSA-N 1 0 235.327 2.189 10 0 BEAERO Cc1nccn1[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042910106 178869787 /nfs/dbraw/zinc/86/97/87/178869787.db2.gz AWEOOOWOGHCQHE-SMDDNHRTSA-N 1 0 229.327 2.437 10 0 BEAERO C[C@@H]1c2ccccc2C[C@H]1[NH+]1CCOCC1 ZINC000213188591 345481425 /nfs/dbraw/zinc/48/14/25/345481425.db2.gz KPJZLIJJCUHHGC-BXUZGUMPSA-N 1 0 217.312 2.047 10 0 BEAERO Cc1ccc([C@@H]2C[NH2+][C@H](C)CO2)c(C)c1 ZINC000036673490 178875119 /nfs/dbraw/zinc/87/51/19/178875119.db2.gz NZZFYIPRVQXBJD-YPMHNXCESA-N 1 0 205.301 2.353 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc(F)c(F)c1 ZINC000054929479 345566456 /nfs/dbraw/zinc/56/64/56/345566456.db2.gz JJRAWPBAEDZOAD-NWDGAFQWSA-N 1 0 229.270 2.372 10 0 BEAERO Cc1nc(N[C@H]2CC[C@H](C)CC2)cc(N)[nH+]1 ZINC000253135474 345616553 /nfs/dbraw/zinc/61/65/53/345616553.db2.gz RFWFJIAXCXFULW-CZMCAQCFSA-N 1 0 220.320 2.358 10 0 BEAERO Cc1ccc([C@H](C)[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000104331066 178883790 /nfs/dbraw/zinc/88/37/90/178883790.db2.gz ORAVXZSBMINBMU-NWDGAFQWSA-N 1 0 235.327 2.430 10 0 BEAERO CC(C)=CC[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000309526736 187309073 /nfs/dbraw/zinc/30/90/73/187309073.db2.gz COWNKVAHQKIKEN-LBPRGKRZSA-N 1 0 219.332 2.062 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1O ZINC000253290316 345641817 /nfs/dbraw/zinc/64/18/17/345641817.db2.gz PQRVAWUIQXVUHR-TZMCWYRMSA-N 1 0 237.318 2.419 10 0 BEAERO C[NH2+]Cc1c(C)[nH]nc1-c1ccccc1 ZINC000066135265 345697041 /nfs/dbraw/zinc/69/70/41/345697041.db2.gz SQHAOCOVHQBJPE-UHFFFAOYSA-N 1 0 201.273 2.105 10 0 BEAERO Cc1cccc([C@@H](C)CN[C@@H]2CC[NH2+]C2)c1 ZINC000215652038 345742885 /nfs/dbraw/zinc/74/28/85/345742885.db2.gz MXELIPCCEYLUOI-GXTWGEPZSA-N 1 0 218.344 2.050 10 0 BEAERO COc1ccc([C@H]2[NH2+]C[C@H](C)S2)cc1 ZINC000033878028 345704171 /nfs/dbraw/zinc/70/41/71/345704171.db2.gz CUYFTBAWLQPXHY-KWQFWETISA-N 1 0 209.314 2.419 10 0 BEAERO O=C1Nc2ccccc2[C@@H]1C[C@H]1CCC[NH2+]C1 ZINC000214056597 345711641 /nfs/dbraw/zinc/71/16/41/345711641.db2.gz VLHPOKVWDSCPNN-PWSUYJOCSA-N 1 0 230.311 2.112 10 0 BEAERO O[C@@H]1c2ccccc2C[C@H]1C[C@@H]1CCCC[NH2+]1 ZINC000033641718 345807214 /nfs/dbraw/zinc/80/72/14/345807214.db2.gz NSKQZYPQQYYWJR-YDHLFZDLSA-N 1 0 231.339 2.425 10 0 BEAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccccc1)[C@@H]2CO ZINC000033754970 345808933 /nfs/dbraw/zinc/80/89/33/345808933.db2.gz DAYQKDBNPICMGA-LJISPDSOSA-N 1 0 231.339 2.245 10 0 BEAERO C[C@@H]1Cc2nc[nH]c2[C@H](c2ccccc2)[NH2+]1 ZINC000034217285 345819798 /nfs/dbraw/zinc/81/97/98/345819798.db2.gz HPBPDFQEUXPCQU-SKDRFNHKSA-N 1 0 213.284 2.033 10 0 BEAERO C[NH2+]C[C@H](F)Cc1ccccc1Cl ZINC000257871024 345778227 /nfs/dbraw/zinc/77/82/27/345778227.db2.gz QLIBSSNHGHWHCE-SECBINFHSA-N 1 0 201.672 2.440 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1c1noc(-c2cccs2)n1 ZINC000257593119 345780836 /nfs/dbraw/zinc/78/08/36/345780836.db2.gz AFTBGKZVVZUXCY-YUMQZZPRSA-N 1 0 235.312 2.393 10 0 BEAERO C[C@@H]1CCCc2nc([C@@H]3CCC[NH2+]C3)cn21 ZINC000258246654 345782668 /nfs/dbraw/zinc/78/26/68/345782668.db2.gz HMLPXJGJQGOZAD-GHMZBOCLSA-N 1 0 219.332 2.247 10 0 BEAERO C[C@H]1CCc2nc([C@@H]3CCCC[NH2+]3)cn2C1 ZINC000258487927 345784285 /nfs/dbraw/zinc/78/42/85/345784285.db2.gz QUCSTXBJJMZJDV-QWRGUYRKSA-N 1 0 219.332 2.280 10 0 BEAERO C[NH2+]C[C@H]1Cc2cccc(-c3cccnc3)c2O1 ZINC000167651778 345795635 /nfs/dbraw/zinc/79/56/35/345795635.db2.gz VJUIMGNUQZCPBN-CYBMUJFWSA-N 1 0 240.306 2.272 10 0 BEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])n2ccnc2)s1 ZINC000043243435 178917774 /nfs/dbraw/zinc/91/77/74/178917774.db2.gz KAYLPQAAMOAYOE-KOLCDFICSA-N 1 0 221.329 2.190 10 0 BEAERO COc1ccc2occ3c2c1[C@@H](C[NH3+])CC3 ZINC000137334421 345844684 /nfs/dbraw/zinc/84/46/84/345844684.db2.gz JQWMJWBECNKMTK-MRVPVSSYSA-N 1 0 217.268 2.430 10 0 BEAERO Cc1ccc([C@](C)([NH2+]CC2CC2)C(N)=O)c(C)c1 ZINC000037952109 178926154 /nfs/dbraw/zinc/92/61/54/178926154.db2.gz BIWPMUCMDKSEKS-HNNXBMFYSA-N 1 0 246.354 2.004 10 0 BEAERO Cc1ccc2[nH]c3c(c2c1C)C[NH2+]CC3 ZINC000034985411 345846556 /nfs/dbraw/zinc/84/65/56/345846556.db2.gz VUURVRASUDDLJR-UHFFFAOYSA-N 1 0 200.285 2.430 10 0 BEAERO COc1ccc2c3c1[C@@H](C[NH3+])CCC[C@H]3CO2 ZINC000035049941 345847418 /nfs/dbraw/zinc/84/74/18/345847418.db2.gz IYUCMLOTRIBKPG-ZJUUUORDSA-N 1 0 233.311 2.397 10 0 BEAERO Cc1cc(OCC[NH+](C)C)nc2ccccc12 ZINC000137738372 345850134 /nfs/dbraw/zinc/85/01/34/345850134.db2.gz YSANHXOVTCXEBH-UHFFFAOYSA-N 1 0 230.311 2.484 10 0 BEAERO Cc1nn(Cc2ccccc2)cc1[C@H](C)[NH3+] ZINC000218472846 345851062 /nfs/dbraw/zinc/85/10/62/345851062.db2.gz RKVGZOQWEOXULH-JTQLQIEISA-N 1 0 215.300 2.260 10 0 BEAERO C[NH2+]C[C@@H]1CCCc2c3c(ccc21)CCO3 ZINC000034415943 345828792 /nfs/dbraw/zinc/82/87/92/345828792.db2.gz ZHQLJFMWWVAIGL-NSHDSACASA-N 1 0 217.312 2.261 10 0 BEAERO CCOC(=O)C(C)(C)CCC1CC[NH2+]CC1 ZINC000034566657 345832112 /nfs/dbraw/zinc/83/21/12/345832112.db2.gz QILSGIGTDVKASE-UHFFFAOYSA-N 1 0 227.348 2.356 10 0 BEAERO Cc1ccc2c(c1)CCC(C[C@@H]([NH3+])CN)=C2 ZINC000034482114 345835325 /nfs/dbraw/zinc/83/53/25/345835325.db2.gz ABTFUUJSICETNO-CQSZACIVSA-N 1 0 216.328 2.001 10 0 BEAERO Cc1ccc([S@](=O)C2CC[NH2+]CC2)c(C)c1 ZINC000083309172 178934341 /nfs/dbraw/zinc/93/43/41/178934341.db2.gz DBFIZFQKBOBJCQ-INIZCTEOSA-N 1 0 237.368 2.163 10 0 BEAERO O=C1Nc2ccccc2[C@@H]1C[C@@H]1CCCC[NH2+]1 ZINC000143420353 345865567 /nfs/dbraw/zinc/86/55/67/345865567.db2.gz UXKSDGGMZXSNQZ-JQWIXIFHSA-N 1 0 230.311 2.255 10 0 BEAERO CCOC(=O)/C=C/[C@@H](C)[NH2+]C1CCCCC1 ZINC000143508559 345866174 /nfs/dbraw/zinc/86/61/74/345866174.db2.gz IJCOWKWXGHANKV-PBQZMEPESA-N 1 0 225.332 2.417 10 0 BEAERO CCCCCCSCC[C@H]1C[NH2+]C[C@@H]1O ZINC000143617606 345866246 /nfs/dbraw/zinc/86/62/46/345866246.db2.gz SJQGIZKJWBISGL-RYUDHWBXSA-N 1 0 231.405 2.270 10 0 BEAERO [NH3+]CC1([C@H](O)c2cc(Cl)cs2)CC1 ZINC000306736549 537916915 /nfs/dbraw/zinc/91/69/15/537916915.db2.gz XPETUTGEDUSUOU-MRVPVSSYSA-N 1 0 217.721 2.174 10 0 BEAERO Cc1ncc(CN[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000628213313 345873008 /nfs/dbraw/zinc/87/30/08/345873008.db2.gz GHYFEYLLDNILQT-GFCCVEGCSA-N 1 0 239.363 2.049 10 0 BEAERO Cc1ccc([C@@H](O)C(C)(C)[NH3+])cc1Cl ZINC000235804315 345916671 /nfs/dbraw/zinc/91/66/71/345916671.db2.gz OVAIEUJSCRTMRL-SNVBAGLBSA-N 1 0 213.708 2.419 10 0 BEAERO CC[C@H](C)Nc1cc(N)[nH+]c(C2CC2)n1 ZINC000087908933 345939983 /nfs/dbraw/zinc/93/99/83/345939983.db2.gz DBVPVXBSBLIVKP-ZETCQYMHSA-N 1 0 206.293 2.147 10 0 BEAERO CNc1cc(N2CCCCCC2)nc(C)[nH+]1 ZINC000087806030 345940980 /nfs/dbraw/zinc/94/09/80/345940980.db2.gz KZNKWINNDPPRFE-UHFFFAOYSA-N 1 0 220.320 2.207 10 0 BEAERO CNc1cc(N2CCC(C)CC2)nc(C)[nH+]1 ZINC000087805673 345941228 /nfs/dbraw/zinc/94/12/28/345941228.db2.gz AYKBAYRMGFXRTD-UHFFFAOYSA-N 1 0 220.320 2.063 10 0 BEAERO CNc1cc(N2CCCC[C@@H]2C)nc(C)[nH+]1 ZINC000087805868 345941264 /nfs/dbraw/zinc/94/12/64/345941264.db2.gz ZKVMCOWSXGSFJV-VIFPVBQESA-N 1 0 220.320 2.206 10 0 BEAERO Oc1ccc([C@@H]2CC[NH2+]C2)cc1Br ZINC000096877765 187362334 /nfs/dbraw/zinc/36/23/34/187362334.db2.gz UOEKEQJODWOJLN-MRVPVSSYSA-N 1 0 242.116 2.232 10 0 BEAERO CC(C)[NH2+]Cc1cc(Br)c[nH]1 ZINC000148362928 346061705 /nfs/dbraw/zinc/06/17/05/346061705.db2.gz PUIJQIGBDAUZSR-UHFFFAOYSA-N 1 0 217.110 2.275 10 0 BEAERO Cc1cc(C[NH2+]C2(CO)CCCC2)cc(C)c1O ZINC000053044883 346034069 /nfs/dbraw/zinc/03/40/69/346034069.db2.gz LEPRVWWVNPRPOD-UHFFFAOYSA-N 1 0 249.354 2.404 10 0 BEAERO COC[C@H](C)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000381487702 346037479 /nfs/dbraw/zinc/03/74/79/346037479.db2.gz VZMZNBNUARSEME-FVCCEPFGSA-N 1 0 229.364 2.062 10 0 BEAERO N#CC1=C(NNc2cccc[nH+]2)CCC1 ZINC000148987836 346074598 /nfs/dbraw/zinc/07/45/98/346074598.db2.gz BQAMJASERHDHPQ-DCMHDJSWSA-N 1 0 200.245 2.173 10 0 BEAERO CC(C)=CC[NH2+]C[C@](C)(O)c1ccccc1 ZINC000190720687 187313816 /nfs/dbraw/zinc/31/38/16/187313816.db2.gz PNQAVAICUWTCJC-AWEZNQCLSA-N 1 0 219.328 2.450 10 0 BEAERO CC1(C)C[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000333318859 187365067 /nfs/dbraw/zinc/36/50/67/187365067.db2.gz MRBQLTMLWOCSRF-GFCCVEGCSA-N 1 0 245.326 2.210 10 0 BEAERO Cc1ccc(-c2ccc(F)o2)c(C[NH3+])n1 ZINC000669372741 537950186 /nfs/dbraw/zinc/95/01/86/537950186.db2.gz YIJPCBKEXFXNHH-UHFFFAOYSA-N 1 0 206.220 2.248 10 0 BEAERO [NH3+]CCc1c[nH]c2c1ccc(Cl)c2F ZINC000147799831 537953656 /nfs/dbraw/zinc/95/36/56/537953656.db2.gz SPPWYFHCZJIRAS-UHFFFAOYSA-N 1 0 212.655 2.462 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@H](n2cnc(C[NH3+])c2)C1 ZINC000669375221 537953022 /nfs/dbraw/zinc/95/30/22/537953022.db2.gz VOABZTQMTFYKNN-JFGNBEQYSA-N 1 0 207.321 2.339 10 0 BEAERO Cc1cccc(-c2ocnc2C[NH3+])c1C ZINC000082639117 179000601 /nfs/dbraw/zinc/00/06/01/179000601.db2.gz FRAMAILWRIREBF-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO CC[C@@H]([NH2+]Cc1nccn1CC)C(C)C ZINC000051924133 346209728 /nfs/dbraw/zinc/20/97/28/346209728.db2.gz QSVQZZWQMBFCRE-LLVKDONJSA-N 1 0 209.337 2.427 10 0 BEAERO [NH3+]C[C@H]1C[C@@H]1c1occc1Br ZINC000236211002 346211602 /nfs/dbraw/zinc/21/16/02/346211602.db2.gz KQAFPSZFZVHUBX-RITPCOANSA-N 1 0 216.078 2.104 10 0 BEAERO Cc1cccc(-c2nc(C)cc(CC[NH3+])n2)c1 ZINC000020384356 178995207 /nfs/dbraw/zinc/99/52/07/178995207.db2.gz AMXONHTZEUEZBZ-UHFFFAOYSA-N 1 0 227.311 2.262 10 0 BEAERO C[C@@]1(O)CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000034291274 346243544 /nfs/dbraw/zinc/24/35/44/346243544.db2.gz AAYQAAZPHSSKGB-ZIAGYGMSSA-N 1 0 219.328 2.470 10 0 BEAERO C[C@@]1(O)CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000034291270 346243681 /nfs/dbraw/zinc/24/36/81/346243681.db2.gz AAYQAAZPHSSKGB-UONOGXRCSA-N 1 0 219.328 2.470 10 0 BEAERO Cc1cccc(C(=O)NC[C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000051573004 179018437 /nfs/dbraw/zinc/01/84/37/179018437.db2.gz FUAQBNQJPGYHML-JSGCOSHPSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1C ZINC000038048672 179021586 /nfs/dbraw/zinc/02/15/86/179021586.db2.gz SPMXWGXAZDUCPG-UONOGXRCSA-N 1 0 246.354 2.303 10 0 BEAERO Cc1cccc(C)c1C[NH2+]CCc1c[nH]cn1 ZINC000083356975 179037633 /nfs/dbraw/zinc/03/76/33/179037633.db2.gz ADRLZPKOZXIMCE-UHFFFAOYSA-N 1 0 229.327 2.359 10 0 BEAERO O[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000381553176 346334660 /nfs/dbraw/zinc/33/46/60/346334660.db2.gz NNSZCHMOVFQAMB-CYDGBPFRSA-N 1 0 229.339 2.408 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)C1CCCCC1 ZINC000052337596 346315032 /nfs/dbraw/zinc/31/50/32/346315032.db2.gz GMYXKAFNQAUREB-UHTWSYAYSA-N 1 0 211.349 2.458 10 0 BEAERO Cc1cccc(CCC(=O)N(CC[NH3+])C(C)C)c1 ZINC000051966655 179052321 /nfs/dbraw/zinc/05/23/21/179052321.db2.gz BACMTBVHFDLEJK-UHFFFAOYSA-N 1 0 248.370 2.123 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H](F)C1 ZINC000336262877 187366670 /nfs/dbraw/zinc/36/66/70/187366670.db2.gz HLURNQCHKNYJFM-CHWSQXEVSA-N 1 0 228.355 2.293 10 0 BEAERO Cc1sccc1[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000227792479 346340936 /nfs/dbraw/zinc/34/09/36/346340936.db2.gz KTVRVIBNBKLCJV-MWLCHTKSSA-N 1 0 211.330 2.483 10 0 BEAERO Cc1cccc(CN(C)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000042435797 179070428 /nfs/dbraw/zinc/07/04/28/179070428.db2.gz WLGSAKAVVYKTJK-NEPJUHHUSA-N 1 0 206.333 2.163 10 0 BEAERO Cc1cccc(C[NH+]2CCC(C(N)=S)CC2)c1 ZINC000032104129 179073813 /nfs/dbraw/zinc/07/38/13/179073813.db2.gz FMYWWCWCZHVHPQ-UHFFFAOYSA-N 1 0 248.395 2.493 10 0 BEAERO C[C@H]1CCC[N@H+](CC(=O)C2CCCC2)C1 ZINC000158169294 346390965 /nfs/dbraw/zinc/39/09/65/346390965.db2.gz MFWDHYIZFWCFQE-NSHDSACASA-N 1 0 209.333 2.478 10 0 BEAERO Cc1cccc(CN2CC[NH2+]CC[C@@H]2C)c1 ZINC000062609134 179079314 /nfs/dbraw/zinc/07/93/14/179079314.db2.gz YJWFVGCUHPHLIF-ZDUSSCGKSA-N 1 0 218.344 2.179 10 0 BEAERO CC[C@](O)(C[N@H+](C)C(C)C)C(F)(F)F ZINC000669379719 537981090 /nfs/dbraw/zinc/98/10/90/537981090.db2.gz KQHVYLXRGOIXFX-QMMMGPOBSA-N 1 0 213.243 2.030 10 0 BEAERO Cc1noc(CC[NH2+]Cc2cccc(C)c2)n1 ZINC000105470258 179092285 /nfs/dbraw/zinc/09/22/85/179092285.db2.gz DIVKHBBURFWOQX-UHFFFAOYSA-N 1 0 231.299 2.019 10 0 BEAERO Cc1cccc(C[NH2+]Cc2ccc[nH]2)n1 ZINC000051789767 179094174 /nfs/dbraw/zinc/09/41/74/179094174.db2.gz QHIBOBUYYGYTRR-UHFFFAOYSA-N 1 0 201.273 2.008 10 0 BEAERO C[C@](F)(C[NH3+])Cc1ccc(Br)cn1 ZINC000161977081 346504613 /nfs/dbraw/zinc/50/46/13/346504613.db2.gz FISABJNHUVBCDH-SECBINFHSA-N 1 0 247.111 2.074 10 0 BEAERO OCc1csc(C[NH2+]C2CCCCC2)n1 ZINC000669379711 537982015 /nfs/dbraw/zinc/98/20/15/537982015.db2.gz KISCJQRXUHJWGB-UHFFFAOYSA-N 1 0 226.345 2.058 10 0 BEAERO Cc1ccc([C@H]2CC[NH2+]C[C@H]2N)cc1Cl ZINC000669379868 537982381 /nfs/dbraw/zinc/98/23/81/537982381.db2.gz HSCILINCTOPUEV-ZYHUDNBSSA-N 1 0 224.735 2.053 10 0 BEAERO CC(=O)c1ccc2[nH]cc(C[NH+](C)C)c2c1 ZINC000002003144 346494388 /nfs/dbraw/zinc/49/43/88/346494388.db2.gz RGHWOYZPLAFYJX-UHFFFAOYSA-N 1 0 216.284 2.432 10 0 BEAERO Brc1cncc(C[C@H]2CCC[NH2+]2)c1 ZINC000161645254 346495160 /nfs/dbraw/zinc/49/51/60/346495160.db2.gz KQDOGAMSDZDHJJ-SNVBAGLBSA-N 1 0 241.132 2.139 10 0 BEAERO Cc1cccc(C[C@H]([NH3+])c2ncccn2)c1 ZINC000037467242 179105959 /nfs/dbraw/zinc/10/59/59/179105959.db2.gz LZCIZERQBBUPQL-LBPRGKRZSA-N 1 0 213.284 2.028 10 0 BEAERO Cc1cccc(N(C)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000049986354 179117338 /nfs/dbraw/zinc/11/73/38/179117338.db2.gz LVCHYPBFHDOOQI-QWHCGFSZSA-N 1 0 204.317 2.311 10 0 BEAERO Cc1cccc(N(C)[C@@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000104313151 179117533 /nfs/dbraw/zinc/11/75/33/179117533.db2.gz VBJGRGUQSCJLPL-HIFRSBDPSA-N 1 0 248.370 2.185 10 0 BEAERO Cc1cccc(Cn2cc[nH+]c2N)c1C ZINC000043314557 179108926 /nfs/dbraw/zinc/10/89/26/179108926.db2.gz MLALNKKSPNIHLX-UHFFFAOYSA-N 1 0 201.273 2.130 10 0 BEAERO Cc1cccc(N2CCC[C@@H]2C[NH3+])c1C ZINC000033893026 179121410 /nfs/dbraw/zinc/12/14/10/179121410.db2.gz TZLPUKGAHQULMF-GFCCVEGCSA-N 1 0 204.317 2.231 10 0 BEAERO Cc1cccc(N2CCC[NH2+]CC2)c1C ZINC000049660587 179122042 /nfs/dbraw/zinc/12/20/42/179122042.db2.gz AWXXSSFBONDYAI-UHFFFAOYSA-N 1 0 204.317 2.103 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1ccc(F)c(Cl)c1 ZINC000164018392 346586894 /nfs/dbraw/zinc/58/68/94/346586894.db2.gz SOPVPNFCJMQODM-LURJTMIESA-N 1 0 215.655 2.399 10 0 BEAERO Cc1cccc(N2CC[NH2+]C[C@@H](C)C2)c1C ZINC000049661618 179122943 /nfs/dbraw/zinc/12/29/43/179122943.db2.gz LEJYRDORWFIHNM-LLVKDONJSA-N 1 0 218.344 2.349 10 0 BEAERO COC1CCC2(CC1)[NH2+]CC[C@H](C)S2 ZINC000164327837 346601345 /nfs/dbraw/zinc/60/13/45/346601345.db2.gz QOHBTBUNSZFEDQ-WHXUTIOJSA-N 1 0 215.362 2.387 10 0 BEAERO C[C@](O)(CC[NH3+])c1cc(F)ccc1Cl ZINC000164529936 346608213 /nfs/dbraw/zinc/60/82/13/346608213.db2.gz GRUHJGMODMOYHI-JTQLQIEISA-N 1 0 217.671 2.035 10 0 BEAERO Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037623251 179126891 /nfs/dbraw/zinc/12/68/91/179126891.db2.gz CNMMTXJJCBVWOX-UHFFFAOYSA-N 1 0 232.327 2.451 10 0 BEAERO Cc1cccc(N)c1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000037909986 179120285 /nfs/dbraw/zinc/12/02/85/179120285.db2.gz BHACPHODLKZICS-LLVKDONJSA-N 1 0 247.342 2.000 10 0 BEAERO Cc1cccc(NC(=O)[C@H]([NH3+])C(C)(C)C)c1 ZINC000077488085 179140108 /nfs/dbraw/zinc/14/01/08/179140108.db2.gz GTBPNNKUJBANRZ-NSHDSACASA-N 1 0 220.316 2.307 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1C ZINC000104223899 179141497 /nfs/dbraw/zinc/14/14/97/179141497.db2.gz ZWWUFGBGWKRPMO-PWSUYJOCSA-N 1 0 232.327 2.097 10 0 BEAERO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)[C@H]1CCCO1 ZINC000589641340 346722299 /nfs/dbraw/zinc/72/22/99/346722299.db2.gz NKSYFBKULBVPBK-QMTHXVAHSA-N 1 0 245.326 2.220 10 0 BEAERO Cc1cccc(OCC[C@H](C[NH3+])N2CCCC2)c1 ZINC000019664424 179169453 /nfs/dbraw/zinc/16/94/53/179169453.db2.gz OYAVMOPLUPGPSG-CQSZACIVSA-N 1 0 248.370 2.187 10 0 BEAERO Cc1cccc(OCC[N@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000295093507 179167018 /nfs/dbraw/zinc/16/70/18/179167018.db2.gz AHARWPSWWKWASW-ZFWWWQNUSA-N 1 0 249.354 2.219 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C(C)C)n1C ZINC000183054737 347117425 /nfs/dbraw/zinc/11/74/25/347117425.db2.gz OUPKIYNUZZPZLC-MNOVXSKESA-N 1 0 238.379 2.463 10 0 BEAERO Cc1cccc(OCC[C@@](C)(C[NH3+])N(C)C)c1 ZINC000019667656 179169199 /nfs/dbraw/zinc/16/91/99/179169199.db2.gz LDQHQVICIPLZSP-AWEZNQCLSA-N 1 0 236.359 2.043 10 0 BEAERO CCC(CC)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242532 537986765 /nfs/dbraw/zinc/98/67/65/537986765.db2.gz CKGSGTKILWNUBR-LLVKDONJSA-N 1 0 207.321 2.043 10 0 BEAERO CCC(C)(C)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242560 537986928 /nfs/dbraw/zinc/98/69/28/537986928.db2.gz GAWOQLSATUJGKS-NSHDSACASA-N 1 0 207.321 2.043 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000122927761 179182232 /nfs/dbraw/zinc/18/22/32/179182232.db2.gz FZCYAJFTCIVEKR-VXGBXAGGSA-N 1 0 207.317 2.274 10 0 BEAERO CCC[NH2+][C@H](C)c1cn(Cc2ccccc2)nn1 ZINC000309813682 347171507 /nfs/dbraw/zinc/17/15/07/347171507.db2.gz NKAAYOQEHSMLLF-GFCCVEGCSA-N 1 0 244.342 2.387 10 0 BEAERO Cc1cccc([C@@H](O)C[NH2+]C2CC2)c1C ZINC000055029418 179187644 /nfs/dbraw/zinc/18/76/44/179187644.db2.gz DYDMHVZRWHFJDB-ZDUSSCGKSA-N 1 0 205.301 2.089 10 0 BEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCCOCC2)c1 ZINC000061914197 179188267 /nfs/dbraw/zinc/18/82/67/179188267.db2.gz UPOGXHKVUKWUOM-UKRRQHHQSA-N 1 0 248.370 2.106 10 0 BEAERO Cc1cccc([C@@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000039105602 179188797 /nfs/dbraw/zinc/18/87/97/179188797.db2.gz PSNUJTQHJWGPKJ-YPMHNXCESA-N 1 0 207.317 2.415 10 0 BEAERO CN1CCCC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250625887 362813306 /nfs/dbraw/zinc/81/33/06/362813306.db2.gz QCBIQUCYHQZHNA-GHMZBOCLSA-N 1 0 210.346 2.232 10 0 BEAERO Cc1cccc([C@H](C[NH3+])N2C[C@H](C)OC[C@@H]2C)c1 ZINC000035783318 179198289 /nfs/dbraw/zinc/19/82/89/179198289.db2.gz PAJCLHPDUGJBPI-YDHLFZDLSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1cccc([C@H](C[NH3+])CCC(=O)NC2CC2)c1 ZINC000076631738 179199263 /nfs/dbraw/zinc/19/92/63/179199263.db2.gz RWWMAVMGQQYWEP-ZDUSSCGKSA-N 1 0 246.354 2.096 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]([S@](=O)C(C)(C)C)C1 ZINC000250592774 362811850 /nfs/dbraw/zinc/81/18/50/362811850.db2.gz NGFKHRCEMVFNLY-BFVZDQMLSA-N 1 0 217.378 2.064 10 0 BEAERO Cc1cccc([C@H]([C@@H](C)N)[NH+]2CCCC2)c1 ZINC000042965335 179203548 /nfs/dbraw/zinc/20/35/48/179203548.db2.gz UUKCLRCTMQHDLJ-OCCSQVGLSA-N 1 0 218.344 2.479 10 0 BEAERO CCCCC[C@@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242836 537989364 /nfs/dbraw/zinc/98/93/64/537989364.db2.gz XKMVULVRJWLYKK-CYBMUJFWSA-N 1 0 221.348 2.361 10 0 BEAERO CN1CC[C@@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000250658101 362816018 /nfs/dbraw/zinc/81/60/18/362816018.db2.gz YFGGJDUZDZGQSN-GHMZBOCLSA-N 1 0 210.708 2.044 10 0 BEAERO Cc1cccc2c(N3CC[C@@H](CO)C3)cc[nH+]c12 ZINC000301675502 179211122 /nfs/dbraw/zinc/21/11/22/179211122.db2.gz PRVDIBSBQHELSX-GFCCVEGCSA-N 1 0 242.322 2.362 10 0 BEAERO Cc1c(Cl)nc(C(C)C)[nH+]c1NN(C)C ZINC000149614389 347372962 /nfs/dbraw/zinc/37/29/62/347372962.db2.gz YSKOUXUSISZEBN-UHFFFAOYSA-N 1 0 228.727 2.450 10 0 BEAERO CC(C)(C)OC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000209612550 537989521 /nfs/dbraw/zinc/98/95/21/537989521.db2.gz LRWFWBFPWSIXBG-UWVGGRQHSA-N 1 0 213.321 2.236 10 0 BEAERO CC(C)[NH+]1CCC([S@@](=N)(=O)C(C)C)CC1 ZINC000616568188 347444414 /nfs/dbraw/zinc/44/44/14/347444414.db2.gz FUQSNFQXNVYIFL-HNNXBMFYSA-N 1 0 232.393 2.314 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)C2CC2)C1(C)C ZINC000380109718 365885381 /nfs/dbraw/zinc/88/53/81/365885381.db2.gz NVQUTBGESPNDOG-CNVPUSNMSA-N 1 0 211.349 2.434 10 0 BEAERO CCC[C@@H]1[NH2+][C@H](C)CC[S@](=O)[C@@H]1CC ZINC000251173313 362842390 /nfs/dbraw/zinc/84/23/90/362842390.db2.gz QCGOZGXXPYFGFN-DEKYYXRVSA-N 1 0 217.378 2.064 10 0 BEAERO Cc1ccccc1C(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000035690780 179252003 /nfs/dbraw/zinc/25/20/03/179252003.db2.gz AEXDPTAYDBPYIC-TZMCWYRMSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1ccccc1C(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035690776 179252625 /nfs/dbraw/zinc/25/26/25/179252625.db2.gz AEXDPTAYDBPYIC-OCCSQVGLSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1ccccc1CC(=O)[C@@H]1CCC[NH2+]C1 ZINC000041230089 179260012 /nfs/dbraw/zinc/26/00/12/179260012.db2.gz HJGKLEJDRCYFJD-CYBMUJFWSA-N 1 0 217.312 2.106 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(OC(F)F)cc1 ZINC000036779449 347576519 /nfs/dbraw/zinc/57/65/19/347576519.db2.gz LATAZQFZWNFBLV-NXEZZACHSA-N 1 0 231.242 2.059 10 0 BEAERO Cc1ccccc1CC[C@@H]1COC[C@H](C)[NH2+]1 ZINC000071521364 179267149 /nfs/dbraw/zinc/26/71/49/179267149.db2.gz IXPXNBFHSMTLQG-GXTWGEPZSA-N 1 0 219.328 2.305 10 0 BEAERO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037856594 179283618 /nfs/dbraw/zinc/28/36/18/179283618.db2.gz HONVXHAAIOOUGG-KGLIPLIRSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000123261527 179284039 /nfs/dbraw/zinc/28/40/39/179284039.db2.gz SVFMKQNUATUCNX-NWDGAFQWSA-N 1 0 207.317 2.102 10 0 BEAERO Cc1ccccc1C[NH2+]Cc1ccncn1 ZINC000054789592 179283229 /nfs/dbraw/zinc/28/32/29/179283229.db2.gz QVRGOHZXMLRQMX-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO Cc1ccccc1C[C@@H]([NH3+])C[C@@H]1CCCO1 ZINC000037466747 179289544 /nfs/dbraw/zinc/28/95/44/179289544.db2.gz XTFWFJLAZXCBFG-KGLIPLIRSA-N 1 0 219.328 2.434 10 0 BEAERO Cc1ccccc1NC(=O)[C@@H](C)CCC[NH3+] ZINC000076610271 179302191 /nfs/dbraw/zinc/30/21/91/179302191.db2.gz XEWSUIGTWFRADM-NSHDSACASA-N 1 0 220.316 2.309 10 0 BEAERO Cc1ccccc1Oc1ccc(C(N)=[NH2+])cn1 ZINC000019425227 179314031 /nfs/dbraw/zinc/31/40/31/179314031.db2.gz TXVIMCBPDGILNX-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO C[C@@H]1C[C@H](C)C[NH2+][C@H]1CNC(=O)OC(C)(C)C ZINC000669381766 537994699 /nfs/dbraw/zinc/99/46/99/537994699.db2.gz UQQPUVOKVHYDAM-AXFHLTTASA-N 1 0 242.363 2.145 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H](OCc2ccccc2)C1 ZINC000075606544 347959885 /nfs/dbraw/zinc/95/98/85/347959885.db2.gz ZJXHVYNFOOHLNB-CHWSQXEVSA-N 1 0 205.301 2.473 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])CC1(C)OCCO1 ZINC000041237196 179325485 /nfs/dbraw/zinc/32/54/85/179325485.db2.gz KVOUUPOGCWJKER-LBPRGKRZSA-N 1 0 221.300 2.148 10 0 BEAERO Cc1ccccc1[C@@H]1CN(C2CC2)CC[NH2+]1 ZINC000056894860 179329990 /nfs/dbraw/zinc/32/99/90/179329990.db2.gz MMXKCDKDRSLJLT-AWEZNQCLSA-N 1 0 216.328 2.104 10 0 BEAERO Cc1ccccc1[C@@H](OC[C@@H]1CCOC1)[C@@H](C)[NH3+] ZINC000043040572 179328400 /nfs/dbraw/zinc/32/84/00/179328400.db2.gz FAFDRZRPCDITMI-NFAWXSAZSA-N 1 0 249.354 2.436 10 0 BEAERO C[C@@H]1CCC[C@@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725244071 537995706 /nfs/dbraw/zinc/99/57/06/537995706.db2.gz DIBYWEZACOEDRX-ZWNOBZJWSA-N 1 0 227.348 2.483 10 0 BEAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CC2CCC1CC2 ZINC000725244043 537995721 /nfs/dbraw/zinc/99/57/21/537995721.db2.gz CZPJRTNYBIPNIF-QIMFLAQGSA-N 1 0 239.359 2.483 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000037163628 348027859 /nfs/dbraw/zinc/02/78/59/348027859.db2.gz PPAXWXOMQOPXMH-MNOVXSKESA-N 1 0 225.357 2.450 10 0 BEAERO C[C@@H](C[NH+]1CCCCCCC1)C(N)=S ZINC000036986905 347997984 /nfs/dbraw/zinc/99/79/84/347997984.db2.gz RBDKGPFXRUKRDJ-JTQLQIEISA-N 1 0 214.378 2.175 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037166118 348024681 /nfs/dbraw/zinc/02/46/81/348024681.db2.gz XTZCDDHMCCCFKA-KGLIPLIRSA-N 1 0 249.354 2.397 10 0 BEAERO [NH3+][C@@H]1CCSc2c(F)cc(F)cc21 ZINC000036962289 347982214 /nfs/dbraw/zinc/98/22/14/347982214.db2.gz YKFBPDZYNDQJAG-MRVPVSSYSA-N 1 0 201.241 2.460 10 0 BEAERO COc1ccc2c(c1OC)CCC[C@H]2C[NH3+] ZINC000197001717 348079297 /nfs/dbraw/zinc/07/92/97/348079297.db2.gz LLJIYXFFNPXKFN-VIFPVBQESA-N 1 0 221.300 2.082 10 0 BEAERO C[C@H](C(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21)C(C)(C)C ZINC000616570575 348068836 /nfs/dbraw/zinc/06/88/36/348068836.db2.gz GZTRXAZNNYMEIQ-GRYCIOLGSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ccccc1[C@H](CCC[NH3+])C(=O)NC1CC1 ZINC000076631684 179340478 /nfs/dbraw/zinc/34/04/78/179340478.db2.gz UHCJVUAWILYLAN-AWEZNQCLSA-N 1 0 246.354 2.096 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])CC(=O)NCC(C)C ZINC000057537257 179341793 /nfs/dbraw/zinc/34/17/93/179341793.db2.gz FMJBJBMBYJKVOZ-ZDUSSCGKSA-N 1 0 248.370 2.200 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])OC[C@@H]1CCCO1 ZINC000043039159 179342002 /nfs/dbraw/zinc/34/20/02/179342002.db2.gz IGNFVAGAVNIQKJ-JSGCOSHPSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])OC1CCOCC1 ZINC000043040470 179342111 /nfs/dbraw/zinc/34/21/11/179342111.db2.gz NAEFXPPTQGYCTN-AWEZNQCLSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1ccccc1[C@H](OC[C@@H]1CCOC1)[C@@H](C)[NH3+] ZINC000043040569 179344930 /nfs/dbraw/zinc/34/49/30/179344930.db2.gz FAFDRZRPCDITMI-UMVBOHGHSA-N 1 0 249.354 2.436 10 0 BEAERO Cc1ccccc1[C@H]1CCCN1C(=O)C[C@H](C)[NH3+] ZINC000037817357 179346671 /nfs/dbraw/zinc/34/66/71/179346671.db2.gz VGGOWSDXKXJJCB-GXTWGEPZSA-N 1 0 246.354 2.396 10 0 BEAERO Cc1cccnc1-c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000299763647 179356282 /nfs/dbraw/zinc/35/62/82/179356282.db2.gz QDXBHDJVALBRCB-GFCCVEGCSA-N 1 0 240.306 2.319 10 0 BEAERO Cc1ccccc1[C@](C)([NH3+])c1cncnc1 ZINC000052887663 179350393 /nfs/dbraw/zinc/35/03/93/179350393.db2.gz OCYXRIKHCBNCKN-CYBMUJFWSA-N 1 0 213.284 2.007 10 0 BEAERO Cc1ccccc1[S@@](=O)C[C@@H]1CCCC[NH2+]1 ZINC000083296187 179352299 /nfs/dbraw/zinc/35/22/99/179352299.db2.gz QBOOZJKYRLEKOO-BLLLJJGKSA-N 1 0 237.368 2.245 10 0 BEAERO Cc1ccccc1[S@@](=O)C[C@H]1CCCC[NH2+]1 ZINC000083296189 179352785 /nfs/dbraw/zinc/35/27/85/179352785.db2.gz QBOOZJKYRLEKOO-MLGOLLRUSA-N 1 0 237.368 2.245 10 0 BEAERO Cc1ccccc1[S@@](=O)C[C@@H]1CCC[NH2+]C1 ZINC000083296200 179352820 /nfs/dbraw/zinc/35/28/20/179352820.db2.gz YAXUWEAJDSDQSQ-MLGOLLRUSA-N 1 0 237.368 2.102 10 0 BEAERO Cc1ccccc1[S@](=O)CC1CC[NH2+]CC1 ZINC000083296216 179352888 /nfs/dbraw/zinc/35/28/88/179352888.db2.gz KVBHWAVUCQPTAU-INIZCTEOSA-N 1 0 237.368 2.102 10 0 BEAERO CC(C)[C@@H]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245013 538000018 /nfs/dbraw/zinc/00/00/18/538000018.db2.gz CZZYZVPHLUIAOW-LOWVWBTDSA-N 1 0 209.333 2.237 10 0 BEAERO CCc1nc(C[NH2+]CCCOC)sc1CC ZINC000669382423 537999208 /nfs/dbraw/zinc/99/92/08/537999208.db2.gz LFQVTVFSUDLAOX-UHFFFAOYSA-N 1 0 242.388 2.394 10 0 BEAERO C[N@@H+]1CC[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616613551 349983411 /nfs/dbraw/zinc/98/34/11/349983411.db2.gz WDXAACSOFJATOS-GFCCVEGCSA-N 1 0 213.284 2.049 10 0 BEAERO Cc1cccnc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094449768 179379409 /nfs/dbraw/zinc/37/94/09/179379409.db2.gz UZRBUSNCIVFJHW-UONOGXRCSA-N 1 0 245.370 2.059 10 0 BEAERO CC[C@H](C)S[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000251372880 362867437 /nfs/dbraw/zinc/86/74/37/362867437.db2.gz RCHNRQJLJWUVMF-HBNTYKKESA-N 1 0 245.388 2.141 10 0 BEAERO Cc1cccnc1OC1CCC([NH3+])CC1 ZINC000055143428 179395450 /nfs/dbraw/zinc/39/54/50/179395450.db2.gz LWNKXIABBYTPMI-UHFFFAOYSA-N 1 0 206.289 2.039 10 0 BEAERO Cc1cccnc1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000051041254 179395709 /nfs/dbraw/zinc/39/57/09/179395709.db2.gz YJRZSPRQPIJJMF-LBPRGKRZSA-N 1 0 231.343 2.477 10 0 BEAERO C[C@@H]1C[C@@H]2[NH2+]C(C)(C)CS[C@H]2[C@H](C)O1 ZINC000251713303 362900640 /nfs/dbraw/zinc/90/06/40/362900640.db2.gz BSOLUVDUNCLHFZ-KATARQTJSA-N 1 0 215.362 2.036 10 0 BEAERO NC(=[NH2+])CSc1ccc(Br)cc1 ZINC000037381616 348394311 /nfs/dbraw/zinc/39/43/11/348394311.db2.gz INBGQXUQXMPQII-UHFFFAOYSA-N 1 0 245.145 2.477 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1ccc(Br)cc1F ZINC000037381827 348394430 /nfs/dbraw/zinc/39/44/30/348394430.db2.gz JECUOTQOACDIOO-CBAPKCEASA-N 1 0 230.080 2.403 10 0 BEAERO C[C@H]([NH3+])[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000037424343 348431128 /nfs/dbraw/zinc/43/11/28/348431128.db2.gz AKRXMKWOOWJQHB-CDUCUWFYSA-N 1 0 220.099 2.374 10 0 BEAERO CCSC1(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000596065202 348436098 /nfs/dbraw/zinc/43/60/98/348436098.db2.gz GHGXRAYVAWRDGM-JTQLQIEISA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@@H](C)c1nc([C@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669382892 538005114 /nfs/dbraw/zinc/00/51/14/538005114.db2.gz NHHYARQSCFKOAX-RKDXNWHRSA-N 1 0 221.304 2.120 10 0 BEAERO C[C@H]1CC[C@@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725245856 538005484 /nfs/dbraw/zinc/00/54/84/538005484.db2.gz YEBSRRONINMAET-JOYOIKCWSA-N 1 0 213.321 2.093 10 0 BEAERO Cc1ccnc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000051918511 179463454 /nfs/dbraw/zinc/46/34/54/179463454.db2.gz GQJYTUZEYAZZAD-LBPRGKRZSA-N 1 0 220.316 2.159 10 0 BEAERO Cc1ccnc(SC[C@H]2CCC[NH2+]C2)c1 ZINC000095069308 179464741 /nfs/dbraw/zinc/46/47/41/179464741.db2.gz FQKIWBPQAMVUCI-NSHDSACASA-N 1 0 222.357 2.482 10 0 BEAERO Cc1ccnc(S[C@@H](C[NH3+])c2ccco2)n1 ZINC000051331490 179465004 /nfs/dbraw/zinc/46/50/04/179465004.db2.gz FLEYGJJCZFKODW-JTQLQIEISA-N 1 0 235.312 2.170 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@H](CN)c2cccs2)C1 ZINC000251813292 362928261 /nfs/dbraw/zinc/92/82/61/362928261.db2.gz YZGBRMQWPMUJNZ-NXEZZACHSA-N 1 0 210.346 2.090 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CCCC23CC3)cnn1C ZINC000623824403 348513756 /nfs/dbraw/zinc/51/37/56/348513756.db2.gz DGMXBERZSJONIR-ZDUSSCGKSA-N 1 0 233.359 2.398 10 0 BEAERO Cc1ccsc1[C@@H]([C@H](C)[NH3+])n1ccnc1 ZINC000043249104 179553753 /nfs/dbraw/zinc/55/37/53/179553753.db2.gz AIPIGLZPFYCUSN-VHSXEESVSA-N 1 0 221.329 2.190 10 0 BEAERO CCCN1C[C@@]2(C[C@H]2[NH3+])c2cc(C)ccc21 ZINC000725246943 538009286 /nfs/dbraw/zinc/00/92/86/538009286.db2.gz BJWJKNXVHFYOCV-KGLIPLIRSA-N 1 0 216.328 2.194 10 0 BEAERO C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]1O ZINC000037489584 348622528 /nfs/dbraw/zinc/62/25/28/348622528.db2.gz XHDOPRAORYBGNS-MNOVXSKESA-N 1 0 211.330 2.093 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1CO)C1C(C)(C)C1(C)C ZINC000308816148 348709542 /nfs/dbraw/zinc/70/95/42/348709542.db2.gz AQJSYQZHIDZIJY-LPEHRKFASA-N 1 0 211.349 2.028 10 0 BEAERO [NH3+][C@H]1C[C@]12CNc1ccc(C(F)(F)F)cc12 ZINC000725247690 538014087 /nfs/dbraw/zinc/01/40/87/538014087.db2.gz USPJSFCLUODZPH-VHSXEESVSA-N 1 0 228.217 2.100 10 0 BEAERO COc1ccc(C)c2c(C[NH3+])nccc12 ZINC000521402199 323201280 /nfs/dbraw/zinc/20/12/80/323201280.db2.gz XLHNLAIPGHFHHZ-UHFFFAOYSA-N 1 0 202.257 2.011 10 0 BEAERO Cc1ccc(Cl)c2c1[C@]1(C[C@H]1[NH3+])CN2 ZINC000725247604 538014611 /nfs/dbraw/zinc/01/46/11/538014611.db2.gz RVHRZLXDSIDEQA-LDYMZIIASA-N 1 0 208.692 2.043 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000054075302 348878058 /nfs/dbraw/zinc/87/80/58/348878058.db2.gz AVDAUUFKIPBFHK-TZMCWYRMSA-N 1 0 246.354 2.266 10 0 BEAERO COc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054289944 348961703 /nfs/dbraw/zinc/96/17/03/348961703.db2.gz RVIUHAVTUZBVDI-NSHDSACASA-N 1 0 248.326 2.023 10 0 BEAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290497 348962147 /nfs/dbraw/zinc/96/21/47/348962147.db2.gz JNSDNRUKYAGLHG-GFCCVEGCSA-N 1 0 232.327 2.039 10 0 BEAERO C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290282 348962228 /nfs/dbraw/zinc/96/22/28/348962228.db2.gz FYIAMSFWFSFEIF-FRRDWIJNSA-N 1 0 238.375 2.071 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccccc1F ZINC000054290276 348962307 /nfs/dbraw/zinc/96/23/07/348962307.db2.gz ZEOVVYKEEXSKQP-SNVBAGLBSA-N 1 0 236.290 2.154 10 0 BEAERO CC[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000054290923 348962839 /nfs/dbraw/zinc/96/28/39/348962839.db2.gz XPCFAHFNWLSRAO-QWHCGFSZSA-N 1 0 238.375 2.025 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCC1CCCC1 ZINC000054291028 348962954 /nfs/dbraw/zinc/96/29/54/348962954.db2.gz GMMFIRWJUXSQDW-CYBMUJFWSA-N 1 0 238.375 2.073 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000308881622 349017571 /nfs/dbraw/zinc/01/75/71/349017571.db2.gz QNCJLYODXVEFJF-GXSJLCMTSA-N 1 0 211.284 2.028 10 0 BEAERO Cc1cnn([C@@H](c2ccc(C)o2)[C@H](C)[NH3+])c1 ZINC000043365520 179746846 /nfs/dbraw/zinc/74/68/46/179746846.db2.gz YTHCVRVQINNHKY-CMPLNLGQSA-N 1 0 219.288 2.030 10 0 BEAERO Nc1[nH+]ccn1CC[C@@H]1CCCC1(F)F ZINC000725249819 538023194 /nfs/dbraw/zinc/02/31/94/538023194.db2.gz ICDGNDXKGQRSEU-QMMMGPOBSA-N 1 0 215.247 2.291 10 0 BEAERO C[C@@H](NC(=O)C(C)(C)C)c1cccc(C[NH3+])c1 ZINC000616574410 349077977 /nfs/dbraw/zinc/07/79/77/349077977.db2.gz ZMIRRMALMKBXKV-SNVBAGLBSA-N 1 0 234.343 2.369 10 0 BEAERO Cc1cc(C(F)F)nc([C@@H]2CCC[NH2+]2)n1 ZINC000616577090 349106027 /nfs/dbraw/zinc/10/60/27/349106027.db2.gz IHWHPYQNCDJIRQ-ZETCQYMHSA-N 1 0 213.231 2.147 10 0 BEAERO CC(C)=CC(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616572310 349065936 /nfs/dbraw/zinc/06/59/36/349065936.db2.gz KLVZNHDVCLGMPA-NSHDSACASA-N 1 0 232.327 2.289 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616578436 349124331 /nfs/dbraw/zinc/12/43/31/349124331.db2.gz OIBAFDPABFARDA-JQWIXIFHSA-N 1 0 208.349 2.001 10 0 BEAERO CCOC(=O)[C@H](C)[N@H+](C)CC1CC(C)(C)C1 ZINC000599328300 349157020 /nfs/dbraw/zinc/15/70/20/349157020.db2.gz XDHCQJNIDPPTCO-JTQLQIEISA-N 1 0 227.348 2.306 10 0 BEAERO CC[C@H](C)c1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253378 538037793 /nfs/dbraw/zinc/03/77/93/538037793.db2.gz JRVUMDZGUVFQLS-IUCAKERBSA-N 1 0 207.321 2.270 10 0 BEAERO CC(C)(C)[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616580573 349258136 /nfs/dbraw/zinc/25/81/36/349258136.db2.gz YKAQCSQOULIHNO-LLVKDONJSA-N 1 0 208.349 2.001 10 0 BEAERO C[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000251139878 538036668 /nfs/dbraw/zinc/03/66/68/538036668.db2.gz WEAOVLDAAYJHKF-STQMWFEESA-N 1 0 224.392 2.449 10 0 BEAERO Cc1nc(-c2cccc(F)c2)nc(C)c1CC[NH3+] ZINC000054836658 179866202 /nfs/dbraw/zinc/86/62/02/179866202.db2.gz SYJBLIYJJOKRKC-UHFFFAOYSA-N 1 0 245.301 2.401 10 0 BEAERO C[C@@H](c1ccncc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251266746 538042194 /nfs/dbraw/zinc/04/21/94/538042194.db2.gz MVMIQTZTLIYTRI-ZFWWWQNUSA-N 1 0 245.370 2.313 10 0 BEAERO C[C@@]12C[C@H]3C[C@H](c4ccc(O)cc41)[C@@H](C2)[NH2+]3 ZINC000256990026 349402965 /nfs/dbraw/zinc/40/29/65/349402965.db2.gz YMLNNUOOKXDDIS-GFCLTOETSA-N 1 0 215.296 2.271 10 0 BEAERO CC(C)(C)N1c2ccccc2NC[C@@H]1C[NH3+] ZINC000616584981 349363823 /nfs/dbraw/zinc/36/38/23/349363823.db2.gz ONNYEGRJCUMUTC-JTQLQIEISA-N 1 0 219.332 2.044 10 0 BEAERO COc1ccc([C@@H]([NH2+][C@@H](C)CO)C2CC2)cc1 ZINC000037258552 190987308 /nfs/dbraw/zinc/98/73/08/190987308.db2.gz ZXQFNVYXZDAWQK-HZMBPMFUSA-N 1 0 235.327 2.117 10 0 BEAERO CN1CCc2ccccc2[C@@H]1c1cnoc1 ZINC000616586019 349375029 /nfs/dbraw/zinc/37/50/29/349375029.db2.gz DRWQIVRSEQGTHO-ZDUSSCGKSA-N 1 0 214.268 2.252 10 0 BEAERO Cc1cc([C@H]2C[C@@H]([NH3+])CCN2C)ccc1F ZINC000211555573 538046602 /nfs/dbraw/zinc/04/66/02/538046602.db2.gz LERJWVPZCZSJGP-WCQYABFASA-N 1 0 222.307 2.228 10 0 BEAERO Cc1nc(C[NH2+]CC(C)C)c2n1CCCC2 ZINC000309668717 179968314 /nfs/dbraw/zinc/96/83/14/179968314.db2.gz IVOYIZJWUYTKTK-UHFFFAOYSA-N 1 0 221.348 2.273 10 0 BEAERO C[C@@H]1CCCN(Cc2csc(C[NH3+])n2)[C@H]1C ZINC000251557341 538047693 /nfs/dbraw/zinc/04/76/93/538047693.db2.gz AEEQRUVKWMIWGF-ZJUUUORDSA-N 1 0 239.388 2.222 10 0 BEAERO Cc1nc(N2CCCCC2)sc1[C@@H](C)[NH3+] ZINC000040543789 180000527 /nfs/dbraw/zinc/00/05/27/180000527.db2.gz UODSFEHHQUMWGQ-MRVPVSSYSA-N 1 0 225.361 2.462 10 0 BEAERO Cc1nc(NCC2CC[NH2+]CC2)sc1C ZINC000082656477 180017640 /nfs/dbraw/zinc/01/76/40/180017640.db2.gz KRMPDYKIIGALGB-UHFFFAOYSA-N 1 0 225.361 2.171 10 0 BEAERO Cc1nc(N[C@H]2CCC[NH2+][C@H]2C)sc1C ZINC000129512372 180024970 /nfs/dbraw/zinc/02/49/70/180024970.db2.gz PUFMZELMVHMPIK-WPRPVWTQSA-N 1 0 225.361 2.312 10 0 BEAERO Cc1nc([C@@H]([NH3+])CCc2ccccc2)no1 ZINC000061625802 180040478 /nfs/dbraw/zinc/04/04/78/180040478.db2.gz AMBRZCOQELEVTD-NSHDSACASA-N 1 0 217.272 2.011 10 0 BEAERO Cc1nc([C@@H]2CCC[NH2+]2)nc2c1CCCC2 ZINC000082536272 180040907 /nfs/dbraw/zinc/04/09/07/180040907.db2.gz YPSYUPFRXSLRDT-LBPRGKRZSA-N 1 0 217.316 2.088 10 0 BEAERO CCC(C)(CC)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000219229284 350117761 /nfs/dbraw/zinc/11/77/61/350117761.db2.gz VNQLNZCLYFKEFJ-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@H](C)c2ccccc2)no1 ZINC000041046479 180052754 /nfs/dbraw/zinc/05/27/54/180052754.db2.gz IKCCSWLAGTYITH-LDYMZIIASA-N 1 0 217.272 2.182 10 0 BEAERO CC(C)CSCC[NH2+]C[C@H](O)C(C)(C)C ZINC000397180186 350124067 /nfs/dbraw/zinc/12/40/67/350124067.db2.gz XLSBXAHHFDXWRB-NSHDSACASA-N 1 0 233.421 2.372 10 0 BEAERO CC(C)CSCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000397180182 350124348 /nfs/dbraw/zinc/12/43/48/350124348.db2.gz XLSBXAHHFDXWRB-LLVKDONJSA-N 1 0 233.421 2.372 10 0 BEAERO CCc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)o1 ZINC000132574427 191033948 /nfs/dbraw/zinc/03/39/48/191033948.db2.gz GKZPVOWZSOTYOO-HWPZZCPQSA-N 1 0 243.372 2.089 10 0 BEAERO Cc1ccsc1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000132579623 191034066 /nfs/dbraw/zinc/03/40/66/191034066.db2.gz XNNLMQNFMVRQRK-BONVTDFDSA-N 1 0 245.413 2.303 10 0 BEAERO Cc1ccccc1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000132552688 191034279 /nfs/dbraw/zinc/03/42/79/191034279.db2.gz VAUIIOWUCXVFGM-BLLLJJGKSA-N 1 0 239.384 2.242 10 0 BEAERO C[C@@H](CC[NH2+]C1CCC(C)CC1)[S@](C)=O ZINC000132559985 191034586 /nfs/dbraw/zinc/03/45/86/191034586.db2.gz PZPUPDGPTBQCNR-NMADNCOTSA-N 1 0 231.405 2.312 10 0 BEAERO Cc1[nH]c2ccc(NCc3ncc[nH]3)cc2[nH+]1 ZINC000049715400 180083544 /nfs/dbraw/zinc/08/35/44/180083544.db2.gz UQSBRTMZGXQKPQ-UHFFFAOYSA-N 1 0 227.271 2.207 10 0 BEAERO Cc1cccc(COC[C@H]2CCC[NH2+]2)c1 ZINC000051816507 350136246 /nfs/dbraw/zinc/13/62/46/350136246.db2.gz WWUDLJNDGRMVNP-CYBMUJFWSA-N 1 0 205.301 2.264 10 0 BEAERO C[C@@H](C[NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000083021610 538062555 /nfs/dbraw/zinc/06/25/55/538062555.db2.gz MNPIRBBRAZOOIQ-OIBJUYFYSA-N 1 0 244.132 2.077 10 0 BEAERO C[C@H](C[NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000083021611 538062600 /nfs/dbraw/zinc/06/26/00/538062600.db2.gz MNPIRBBRAZOOIQ-GMSGAONNSA-N 1 0 244.132 2.077 10 0 BEAERO OCCC1(C[NH2+]Cc2cccs2)CC1 ZINC000133080894 191036501 /nfs/dbraw/zinc/03/65/01/191036501.db2.gz HSYZSAWBDLORFE-UHFFFAOYSA-N 1 0 211.330 2.000 10 0 BEAERO OCCC1(C[NH2+]Cc2ccccc2F)CC1 ZINC000133051590 191036803 /nfs/dbraw/zinc/03/68/03/191036803.db2.gz SVUUDCGSHGYMOH-UHFFFAOYSA-N 1 0 223.291 2.078 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000133157259 191038349 /nfs/dbraw/zinc/03/83/49/191038349.db2.gz ZCHVTVAMCLCBRI-RYUDHWBXSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccccc1 ZINC000133131029 191038433 /nfs/dbraw/zinc/03/84/33/191038433.db2.gz OJIHLHMLCXGILR-GFCCVEGCSA-N 1 0 219.328 2.500 10 0 BEAERO COC[C@@H]([NH2+]CCCCSC)C(C)C ZINC000133695000 191041145 /nfs/dbraw/zinc/04/11/45/191041145.db2.gz IFMNHYZTPQHCLJ-LLVKDONJSA-N 1 0 219.394 2.390 10 0 BEAERO Cc1[nH+]c2cccc(C(F)(F)F)n2c1N ZINC000299889381 180099905 /nfs/dbraw/zinc/09/99/05/180099905.db2.gz IMGFIWJFTKJGNX-UHFFFAOYSA-N 1 0 215.178 2.244 10 0 BEAERO CSCCCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000133643461 191042440 /nfs/dbraw/zinc/04/24/40/191042440.db2.gz NGQIGRGOLKEXFK-SNVBAGLBSA-N 1 0 227.377 2.214 10 0 BEAERO COC[C@@H]([NH2+]CCCCSC)C1CC1 ZINC000133742765 191043316 /nfs/dbraw/zinc/04/33/16/191043316.db2.gz OUAIINWYEYIEPO-LLVKDONJSA-N 1 0 217.378 2.144 10 0 BEAERO Cc1nc2ccccc2nc1NC1CC[NH2+]CC1 ZINC000052099562 180105293 /nfs/dbraw/zinc/10/52/93/180105293.db2.gz GCNVRGSHTXRAJS-UHFFFAOYSA-N 1 0 242.326 2.102 10 0 BEAERO COC(=O)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000034457995 350171241 /nfs/dbraw/zinc/17/12/41/350171241.db2.gz HCDHLYWYYXBBKU-KIPDHUPVSA-N 1 0 237.343 2.093 10 0 BEAERO Cc1nc[nH]c1C[NH2+][C@H]1CCOc2ccccc21 ZINC000054795674 180121036 /nfs/dbraw/zinc/12/10/36/180121036.db2.gz XHXVREDYLHXSOF-LBPRGKRZSA-N 1 0 243.310 2.332 10 0 BEAERO CC(C)[C@H](C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000236632945 191060079 /nfs/dbraw/zinc/06/00/79/191060079.db2.gz MXTBFCFGZVRAAJ-DGCLKSJQSA-N 1 0 228.380 2.158 10 0 BEAERO CC1(C)C[C@](CC[NH3+])(c2ccccn2)CCO1 ZINC000097758100 191061118 /nfs/dbraw/zinc/06/11/18/191061118.db2.gz WCDLUVMLIKHZPR-CQSZACIVSA-N 1 0 234.343 2.257 10 0 BEAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])c2ccccc21 ZINC000098180710 191061825 /nfs/dbraw/zinc/06/18/25/191061825.db2.gz FLRGVFQWIPNTAJ-SNVBAGLBSA-N 1 0 248.326 2.484 10 0 BEAERO C[C@H](C[NH3+])CNc1ccc(C(F)(F)F)cn1 ZINC000083387540 350192433 /nfs/dbraw/zinc/19/24/33/350192433.db2.gz KESHTDRLJUIHLV-SSDOTTSWSA-N 1 0 233.237 2.107 10 0 BEAERO Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2CO)s1 ZINC000152331030 180157136 /nfs/dbraw/zinc/15/71/36/180157136.db2.gz FLVOIHYEGWSQFE-ZYHUDNBSSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1nccc(C[NH2+][C@H](C)CC(C)C)n1 ZINC000038037371 180191268 /nfs/dbraw/zinc/19/12/68/180191268.db2.gz SUWFMMWDQSALDQ-SNVBAGLBSA-N 1 0 207.321 2.309 10 0 BEAERO Cc1nccc(N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000054936290 180202827 /nfs/dbraw/zinc/20/28/27/180202827.db2.gz MQQGMSTWIOLTIP-LBPRGKRZSA-N 1 0 236.363 2.173 10 0 BEAERO Cc1[nH+]ccc(N[C@@H](C)[C@@H](C)O)c1Cl ZINC000307142585 180203349 /nfs/dbraw/zinc/20/33/49/180203349.db2.gz KFPHZGVSVRXMRS-POYBYMJQSA-N 1 0 214.696 2.225 10 0 BEAERO Cc1cc(C[NH2+]Cc2ccnc(C)n2)c(C)n1C ZINC000052790386 180189884 /nfs/dbraw/zinc/18/98/84/180189884.db2.gz XANCZNWPCSKFOQ-UHFFFAOYSA-N 1 0 244.342 2.030 10 0 BEAERO CC[C@H]([NH2+]Cc1ccc(=O)[nH]c1)C(C)C ZINC000392956023 350230103 /nfs/dbraw/zinc/23/01/03/350230103.db2.gz PSVKEOVCEMJDDP-NSHDSACASA-N 1 0 208.305 2.311 10 0 BEAERO Cc1nc(C[NH3+])cc(C2CCCCC2)n1 ZINC000074188593 350238421 /nfs/dbraw/zinc/23/84/21/350238421.db2.gz HJJRSJVPDHVSAM-UHFFFAOYSA-N 1 0 205.305 2.291 10 0 BEAERO CC(C)(C)OC(=O)NC[C@@]1(C)CCCC[NH2+]1 ZINC000216550130 350224763 /nfs/dbraw/zinc/22/47/63/350224763.db2.gz XYTWZTMIUGTYFP-GFCCVEGCSA-N 1 0 228.336 2.043 10 0 BEAERO COC1(C[NH2+][C@@H]2CCCC[C@H]2O)CCCCC1 ZINC000319390091 350264323 /nfs/dbraw/zinc/26/43/23/350264323.db2.gz DHMQXGDJFXTQCN-CHWSQXEVSA-N 1 0 241.375 2.229 10 0 BEAERO Cc1nccn1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000037159988 180272220 /nfs/dbraw/zinc/27/22/20/180272220.db2.gz RTCJNKCWBUVEJM-VXGBXAGGSA-N 1 0 207.321 2.272 10 0 BEAERO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cn[nH]c1 ZINC000038005854 350296505 /nfs/dbraw/zinc/29/65/05/350296505.db2.gz ZPDPJYONCUINNS-NSHDSACASA-N 1 0 245.326 2.226 10 0 BEAERO Cc1ncn([C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000051926064 180288782 /nfs/dbraw/zinc/28/87/82/180288782.db2.gz HSRPIGQHXDWNRT-NEPJUHHUSA-N 1 0 207.321 2.190 10 0 BEAERO Cc1ncn([C@H](c2ccsc2)[C@@H](C)[NH3+])c1C ZINC000051925924 180288851 /nfs/dbraw/zinc/28/88/51/180288851.db2.gz NFQIHXUGFQNRAE-PELKAZGASA-N 1 0 235.356 2.498 10 0 BEAERO Cc1ncn([C@H](c2ccco2)[C@H](C)[NH3+])c1C ZINC000051925858 180289528 /nfs/dbraw/zinc/28/95/28/180289528.db2.gz WDUPEBQEOUGWGX-UFBFGSQYSA-N 1 0 219.288 2.030 10 0 BEAERO Cc1ncn([C@H](C)C[NH2+]C(C)(C)C)c1C ZINC000052593788 180289723 /nfs/dbraw/zinc/28/97/23/180289723.db2.gz QJDXAFJQNAVONB-SECBINFHSA-N 1 0 209.337 2.449 10 0 BEAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000219114311 180282222 /nfs/dbraw/zinc/28/22/22/180282222.db2.gz KNOXSZSTUALYKZ-VXGBXAGGSA-N 1 0 235.331 2.005 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(OC(F)F)cn1 ZINC000327726154 350358930 /nfs/dbraw/zinc/35/89/30/350358930.db2.gz FZBXNECZPKTDGZ-YUMQZZPRSA-N 1 0 245.273 2.221 10 0 BEAERO Cc1ncsc1CCC1(C[NH3+])CCOCC1 ZINC000061673966 180307252 /nfs/dbraw/zinc/30/72/52/180307252.db2.gz FPBHZSFWNBLJRX-UHFFFAOYSA-N 1 0 240.372 2.140 10 0 BEAERO Cc1ncsc1CC[C@]1(C[NH3+])CCCOC1 ZINC000062193243 180310907 /nfs/dbraw/zinc/31/09/07/180310907.db2.gz WJTXYEYLJCSUOT-LBPRGKRZSA-N 1 0 240.372 2.140 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000040502398 350369981 /nfs/dbraw/zinc/36/99/81/350369981.db2.gz PUJIJMPOGYWNFL-CYBMUJFWSA-N 1 0 210.365 2.393 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC000041054774 180327191 /nfs/dbraw/zinc/32/71/91/180327191.db2.gz LXBWXOXAERNTFU-MRVPVSSYSA-N 1 0 236.344 2.036 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084224002 180327431 /nfs/dbraw/zinc/32/74/31/180327431.db2.gz OXOKAISNNKVSTK-LSJOCFKGSA-N 1 0 240.372 2.263 10 0 BEAERO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccco1 ZINC000062808293 180336040 /nfs/dbraw/zinc/33/60/40/180336040.db2.gz VXXVKDOSYDTGOH-UHFFFAOYSA-N 1 0 247.342 2.352 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cocn1 ZINC000616592029 350436399 /nfs/dbraw/zinc/43/63/99/350436399.db2.gz COXUPXXXQKNMFC-AWEZNQCLSA-N 1 0 243.310 2.127 10 0 BEAERO Cc1nn(C)c(C)c1C[NH2+]CCc1ccsc1 ZINC000042249151 180340466 /nfs/dbraw/zinc/34/04/66/180340466.db2.gz FKTQTOMKJJVGNO-UHFFFAOYSA-N 1 0 249.383 2.431 10 0 BEAERO CCNc1[nH+]c(NN)c(Cl)cc1Cl ZINC000226648976 350445238 /nfs/dbraw/zinc/44/52/38/350445238.db2.gz TURNVSHCTRPLEB-UHFFFAOYSA-N 1 0 221.091 2.106 10 0 BEAERO Cc1nn(C)c(Oc2ccccc2)c1C[C@@H](C)[NH3+] ZINC000104298933 180362046 /nfs/dbraw/zinc/36/20/46/180362046.db2.gz JXYSIBIYVDFLOW-SNVBAGLBSA-N 1 0 245.326 2.411 10 0 BEAERO CCOP(=O)(OCC)[C@](C)([NH3+])CC ZINC000034129883 350463684 /nfs/dbraw/zinc/46/36/84/350463684.db2.gz IWOZRWIRMMVBED-QMMMGPOBSA-N 1 0 209.226 2.337 10 0 BEAERO Cc1nn(C2CCCC2)c(C)c1CC[NH3+] ZINC000054740918 180384454 /nfs/dbraw/zinc/38/44/54/180384454.db2.gz MPFOGSWBWWLLNW-UHFFFAOYSA-N 1 0 207.321 2.116 10 0 BEAERO Cc1c(N)cncc1C1=CC[C@@]2(C[C@H]2[NH3+])CC1 ZINC000725265118 538093389 /nfs/dbraw/zinc/09/33/89/538093389.db2.gz GXTHDMZKUGOETO-KGLIPLIRSA-N 1 0 229.327 2.257 10 0 BEAERO Cc1ccc2c(c1)CCC(C[C@H]([NH3+])CN)=C2 ZINC000034482113 350469473 /nfs/dbraw/zinc/46/94/73/350469473.db2.gz ABTFUUJSICETNO-AWEZNQCLSA-N 1 0 216.328 2.001 10 0 BEAERO [NH3+]Cc1cc(CCC2CCCCC2)ncn1 ZINC000409436570 350479425 /nfs/dbraw/zinc/47/94/25/350479425.db2.gz JPSUQKRWTYIQHR-UHFFFAOYSA-N 1 0 219.332 2.448 10 0 BEAERO Cc1nn([C@@H](C[NH3+])c2cccc(F)c2)c(C)c1C ZINC000042973239 180392231 /nfs/dbraw/zinc/39/22/31/180392231.db2.gz LBYQMICKSVDPJQ-AWEZNQCLSA-N 1 0 247.317 2.496 10 0 BEAERO Cc1nn([C@@H]2CCCC[C@H]2C[NH3+])c(C)c1C ZINC000040729056 180392258 /nfs/dbraw/zinc/39/22/58/180392258.db2.gz FRXKUIYAYCQKPE-QWHCGFSZSA-N 1 0 221.348 2.498 10 0 BEAERO Cc1nn([C@H]2CCCC[C@H]2C[NH3+])c(C)c1C ZINC000040729059 180393120 /nfs/dbraw/zinc/39/31/20/180393120.db2.gz FRXKUIYAYCQKPE-STQMWFEESA-N 1 0 221.348 2.498 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CO)C1 ZINC000300519451 490565024 /nfs/dbraw/zinc/56/50/24/490565024.db2.gz LVGUCMMGRLYDTF-FQUUOJAGSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1nn(CCC[NH2+]CC(C)C)c(C)c1C ZINC000052577716 180387701 /nfs/dbraw/zinc/38/77/01/180387701.db2.gz FFQPGLHVYHLLLR-UHFFFAOYSA-N 1 0 223.364 2.444 10 0 BEAERO Cc1nn(C[C@@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000050586803 180390524 /nfs/dbraw/zinc/39/05/24/180390524.db2.gz XHWZVDZSIJNEGB-SNVBAGLBSA-N 1 0 227.739 2.153 10 0 BEAERO Cc1cncc([C@@H]([NH3+])c2cccs2)c1 ZINC000227952419 350520594 /nfs/dbraw/zinc/52/05/94/350520594.db2.gz DKVUKWYBRYFLNI-LLVKDONJSA-N 1 0 204.298 2.500 10 0 BEAERO Cc1nnc(N(CC2CC2)C(C)C)c(C[NH3+])c1C ZINC000042561235 180421540 /nfs/dbraw/zinc/42/15/40/180421540.db2.gz USEBTERORYXBPN-UHFFFAOYSA-N 1 0 248.374 2.177 10 0 BEAERO CNc1ccccc1[C@H]1CC[N@H+](C)CCO1 ZINC000616595201 350605625 /nfs/dbraw/zinc/60/56/25/350605625.db2.gz UOFPVGOWPOYUJA-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO Cc1nnc([C@@H]2CCC[C@H]([NH3+])C2)n1C(C)C ZINC000070501972 180442893 /nfs/dbraw/zinc/44/28/93/180442893.db2.gz OXZKQEAKWBCHDN-MNOVXSKESA-N 1 0 222.336 2.152 10 0 BEAERO COCC[NH2+]CC[C@H](CO)[C@H]1CCC[C@H](C)C1 ZINC000725267190 538097317 /nfs/dbraw/zinc/09/73/17/538097317.db2.gz UZEOSMRDXPVBMQ-MELADBBJSA-N 1 0 243.391 2.047 10 0 BEAERO CC(=O)Nc1ccccc1[C@@H]1COCCC[N@H+]1C ZINC000616597130 350640900 /nfs/dbraw/zinc/64/09/00/350640900.db2.gz NGXQSKPYSQZZJS-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccc(OC)cc1 ZINC000616598509 350672750 /nfs/dbraw/zinc/67/27/50/350672750.db2.gz CQWUFPRAQKAHJR-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc(N)c1 ZINC000616598485 350672996 /nfs/dbraw/zinc/67/29/96/350672996.db2.gz BORVMRNLHRAVLN-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cccc(N)c1 ZINC000616597405 350652172 /nfs/dbraw/zinc/65/21/72/350652172.db2.gz FACXHNQRZNNLRS-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO c1ccc2c(c1)cncc2[C@@H]1COCCC[NH2+]1 ZINC000616597863 350653748 /nfs/dbraw/zinc/65/37/48/350653748.db2.gz UINNQZWMMQKPMQ-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO [NH3+]CCC(=O)c1cscc1Br ZINC000167909414 350659074 /nfs/dbraw/zinc/65/90/74/350659074.db2.gz CYPIMEVTJAGFLK-UHFFFAOYSA-N 1 0 234.118 2.042 10 0 BEAERO CCC[NH2+][C@@H]1CCCc2c(O)c(O)ccc2C1 ZINC000201295574 350666126 /nfs/dbraw/zinc/66/61/26/350666126.db2.gz PGXJHBACGVMLOC-LLVKDONJSA-N 1 0 235.327 2.345 10 0 BEAERO CC(=O)Nc1cccc([C@@H]2COCCC[N@H+]2C)c1 ZINC000616598456 350671400 /nfs/dbraw/zinc/67/14/00/350671400.db2.gz ZTMRUMCRKWVLGZ-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO CCCC[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123913287 350675591 /nfs/dbraw/zinc/67/55/91/350675591.db2.gz GWBBFVMMVIWXJE-LBPRGKRZSA-N 1 0 209.337 2.360 10 0 BEAERO CCCC[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123913094 350675628 /nfs/dbraw/zinc/67/56/28/350675628.db2.gz GWBBFVMMVIWXJE-GFCCVEGCSA-N 1 0 209.337 2.360 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2nccc3ccccc32)C1 ZINC000616598773 350688368 /nfs/dbraw/zinc/68/83/68/350688368.db2.gz RGRDUXPKABYTSG-ZDUSSCGKSA-N 1 0 242.322 2.280 10 0 BEAERO CCC(CC)[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000725267537 538098924 /nfs/dbraw/zinc/09/89/24/538098924.db2.gz NZFNPZZSDGJEIK-STQMWFEESA-N 1 0 243.391 2.190 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccc(CCO)cc1 ZINC000616599642 350754800 /nfs/dbraw/zinc/75/48/00/350754800.db2.gz TUOLAVTZDZUJPA-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO c1cnc2ccc([C@H]3COCCC[NH2+]3)cc2c1 ZINC000616599756 350757612 /nfs/dbraw/zinc/75/76/12/350757612.db2.gz OPEZSFYJOWEFTD-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000616613862 350816822 /nfs/dbraw/zinc/81/68/22/350816822.db2.gz CHSRHAGGISJANB-SECBINFHSA-N 1 0 208.309 2.130 10 0 BEAERO NC(=[NH2+])SCc1coc(Br)c1 ZINC000306674006 350821399 /nfs/dbraw/zinc/82/13/99/350821399.db2.gz PCQYTBYDQUWXAO-UHFFFAOYSA-N 1 0 235.106 2.169 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1cncc2ccccc21 ZINC000616601081 350781373 /nfs/dbraw/zinc/78/13/73/350781373.db2.gz FLQYHTYRLHAZQW-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ccnnc2)CC1 ZINC000616601313 350782441 /nfs/dbraw/zinc/78/24/41/350782441.db2.gz NQGHAYYHQGAPIB-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cc(N)n[nH]2)C1 ZINC000616603734 350789702 /nfs/dbraw/zinc/78/97/02/350789702.db2.gz HEJULMTZSVMXNX-JTQLQIEISA-N 1 0 236.363 2.190 10 0 BEAERO CNc1cccc([C@@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616602307 350791074 /nfs/dbraw/zinc/79/10/74/350791074.db2.gz XGWGJJYVQWNJCU-CYBMUJFWSA-N 1 0 247.386 2.257 10 0 BEAERO CC[N@@H+]1CCN[C@H](c2nccc3ccccc32)C1 ZINC000616604661 350793329 /nfs/dbraw/zinc/79/33/29/350793329.db2.gz YFHAYLVZURWEME-AWEZNQCLSA-N 1 0 241.338 2.201 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2ccnnc2)C1 ZINC000616603861 350795414 /nfs/dbraw/zinc/79/54/14/350795414.db2.gz YJHFQYWYGDDUKG-LBPRGKRZSA-N 1 0 205.305 2.066 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1cccc2cnccc21 ZINC000616606592 350798049 /nfs/dbraw/zinc/79/80/49/350798049.db2.gz CYIBWFXUFNKQSR-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO CC[N@@H+]1CCC[C@H]1c1ccccc1CCO ZINC000616606999 350798820 /nfs/dbraw/zinc/79/88/20/350798820.db2.gz OAUCQBAVKIKYBW-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccnnc1 ZINC000616608332 350804289 /nfs/dbraw/zinc/80/42/89/350804289.db2.gz SENABEAXUDADPG-NSHDSACASA-N 1 0 205.305 2.412 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1c1cccc(CCO)c1 ZINC000616611544 350809111 /nfs/dbraw/zinc/80/91/11/350809111.db2.gz DCFQBMUKDXUBDZ-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccnnc2)C1 ZINC000616614548 350835632 /nfs/dbraw/zinc/83/56/32/350835632.db2.gz OOUKBSPVNUZPAH-LLVKDONJSA-N 1 0 205.305 2.064 10 0 BEAERO CC[N@@H+]1CCCC[C@H]1c1ccccc1C(N)=O ZINC000616615054 350844774 /nfs/dbraw/zinc/84/47/74/350844774.db2.gz ALVBSCJHSBYISD-ZDUSSCGKSA-N 1 0 232.327 2.332 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cnno1 ZINC000616615418 350847093 /nfs/dbraw/zinc/84/70/93/350847093.db2.gz JRZZOLPBLZXHJF-VIFPVBQESA-N 1 0 209.293 2.395 10 0 BEAERO CNc1cccc([C@@H]2CCCCN2CC[NH3+])c1 ZINC000616615895 350850400 /nfs/dbraw/zinc/85/04/00/350850400.db2.gz DWYOSRKLVVIBRW-AWEZNQCLSA-N 1 0 233.359 2.214 10 0 BEAERO CNc1ccc([C@@H]2CCCCN2CC[NH3+])cc1 ZINC000616616185 350854275 /nfs/dbraw/zinc/85/42/75/350854275.db2.gz KVUPUQQFSRREMD-AWEZNQCLSA-N 1 0 233.359 2.214 10 0 BEAERO CNc1cccc([C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000616616473 350855874 /nfs/dbraw/zinc/85/58/74/350855874.db2.gz PSHGSZLTDHAUEJ-AWEZNQCLSA-N 1 0 234.343 2.248 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccccc2CO)C1 ZINC000616617121 350862158 /nfs/dbraw/zinc/86/21/58/350862158.db2.gz HSBLESFHOQVVBA-LBPRGKRZSA-N 1 0 219.328 2.378 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000616617124 350862269 /nfs/dbraw/zinc/86/22/69/350862269.db2.gz IANZQMVFBBZQOO-HNNXBMFYSA-N 1 0 233.355 2.421 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616617216 350863347 /nfs/dbraw/zinc/86/33/47/350863347.db2.gz NOLKJDHROCINTB-GFCCVEGCSA-N 1 0 227.311 2.439 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccccc2CCO)C1 ZINC000616617285 350863501 /nfs/dbraw/zinc/86/35/01/350863501.db2.gz LRBJLQYIOCYIIY-ZDUSSCGKSA-N 1 0 219.328 2.031 10 0 BEAERO CCON[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000306727929 350898420 /nfs/dbraw/zinc/89/84/20/350898420.db2.gz MZEFPICFRQAWPS-JSGCOSHPSA-N 1 0 234.343 2.191 10 0 BEAERO CSC1([C@H]2[NH2+]C[C@@H](C)S2)CCC1 ZINC000306727418 350898784 /nfs/dbraw/zinc/89/87/84/350898784.db2.gz AUJWGUWYJXNTLI-SFYZADRCSA-N 1 0 203.376 2.323 10 0 BEAERO FC(F)C1CC([NH2+][C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC000306735424 350904953 /nfs/dbraw/zinc/90/49/53/350904953.db2.gz WBSGUZXQLPENOB-HVUYTDGYSA-N 1 0 201.260 2.418 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cnno2)C1 ZINC000616618498 350915558 /nfs/dbraw/zinc/91/55/58/350915558.db2.gz XPKLYDNOSUIAAL-VIFPVBQESA-N 1 0 209.293 2.048 10 0 BEAERO CNC(=[NH2+])Nc1cc(Br)ccc1C ZINC000052091539 350917533 /nfs/dbraw/zinc/91/75/33/350917533.db2.gz YJEGMHDSWWVCBM-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO [NH3+][C@@H]1CCCc2nc(C(F)(F)F)sc21 ZINC000159600825 350921241 /nfs/dbraw/zinc/92/12/41/350921241.db2.gz CIUWLNNJYVLYJW-SCSAIBSYSA-N 1 0 222.235 2.498 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2conn2)CC1 ZINC000616619149 350926640 /nfs/dbraw/zinc/92/66/40/350926640.db2.gz GPHIGULWCTUAPN-UHFFFAOYSA-N 1 0 209.293 2.048 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000616619553 350927686 /nfs/dbraw/zinc/92/76/86/350927686.db2.gz NQXXXASHMQHQKW-UHFFFAOYSA-N 1 0 207.321 2.388 10 0 BEAERO CC(C)[NH+]1CCC(c2cccnc2N)CC1 ZINC000616619617 350927737 /nfs/dbraw/zinc/92/77/37/350927737.db2.gz SFKJWWNZESULFB-UHFFFAOYSA-N 1 0 219.332 2.252 10 0 BEAERO c1cc2ccc(C3CC[NH2+]CC3)cc2nn1 ZINC000616620525 350941441 /nfs/dbraw/zinc/94/14/41/350941441.db2.gz CFQNYHXIOPYGCR-UHFFFAOYSA-N 1 0 213.284 2.097 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cccc(N)n2)C1 ZINC000616617670 350871914 /nfs/dbraw/zinc/87/19/14/350871914.db2.gz CDFFAKJVVKFFPU-NSHDSACASA-N 1 0 219.332 2.252 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000616617679 350872163 /nfs/dbraw/zinc/87/21/63/350872163.db2.gz CRPQXCNMELMILK-NSHDSACASA-N 1 0 219.332 2.455 10 0 BEAERO C[N@H+](C[C@H]1CCCCC1=O)[C@H]1CCSC1 ZINC000250400164 350880328 /nfs/dbraw/zinc/88/03/28/350880328.db2.gz MDXDUBOBLGZWTO-MNOVXSKESA-N 1 0 227.373 2.183 10 0 BEAERO CC(C)(C)[S@](=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250593440 350883467 /nfs/dbraw/zinc/88/34/67/350883467.db2.gz NZGPZWSIXREWDM-IMSIIYSGSA-N 1 0 217.378 2.051 10 0 BEAERO CSCC[NH2+]C[C@]1(C)CCCS1 ZINC000129040371 350970988 /nfs/dbraw/zinc/97/09/88/350970988.db2.gz HPJCHOGOILDXHF-VIFPVBQESA-N 1 0 205.392 2.225 10 0 BEAERO CCSCC[NH2+]CC1(CO)CCCCC1 ZINC000129085082 350978939 /nfs/dbraw/zinc/97/89/39/350978939.db2.gz XEDFULNCWVEACT-UHFFFAOYSA-N 1 0 231.405 2.272 10 0 BEAERO [NH3+][C@H](Cc1cncs1)c1ccsc1 ZINC000159709353 350981701 /nfs/dbraw/zinc/98/17/01/350981701.db2.gz YLLMLQPRHHJIJZ-SECBINFHSA-N 1 0 210.327 2.447 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cn[nH]c2)C1 ZINC000616621175 350987671 /nfs/dbraw/zinc/98/76/71/350987671.db2.gz PQTKOBIYPYILPY-SNVBAGLBSA-N 1 0 207.321 2.388 10 0 BEAERO CC[C@H]1CC[NH2+][C@@H](Cc2cncs2)C1 ZINC000159781191 351001083 /nfs/dbraw/zinc/00/10/83/351001083.db2.gz GLNNGMUYRMBLQM-VHSXEESVSA-N 1 0 210.346 2.464 10 0 BEAERO Cc1cccc([C@@H](O)[C@H](C)C[NH3+])c1Cl ZINC000129180229 351002552 /nfs/dbraw/zinc/00/25/52/351002552.db2.gz ZCMGQOSIGKZGLP-KCJUWKMLSA-N 1 0 213.708 2.277 10 0 BEAERO C[C@@H]([NH3+])C(C)(C)Nc1ccncc1Cl ZINC000128980931 350952176 /nfs/dbraw/zinc/95/21/76/350952176.db2.gz ANAZOYLXNZMCAW-SSDOTTSWSA-N 1 0 213.712 2.273 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000616621363 351036207 /nfs/dbraw/zinc/03/62/07/351036207.db2.gz RRHQOHZSFLUIDZ-LLVKDONJSA-N 1 0 219.332 2.455 10 0 BEAERO F[C@@]1(c2ccns2)CCC[NH2+]CC1 ZINC000306795286 351042649 /nfs/dbraw/zinc/04/26/49/351042649.db2.gz ILZUAQUCPIKBMW-VIFPVBQESA-N 1 0 200.282 2.081 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(C)o1 ZINC000398077630 362999477 /nfs/dbraw/zinc/99/94/77/362999477.db2.gz QHWGRQACTXTFRO-STQMWFEESA-N 1 0 249.358 2.042 10 0 BEAERO C[C@@H]1CS[C@H]([C@]2(C)CCCS2)[NH2+]1 ZINC000306803201 351057531 /nfs/dbraw/zinc/05/75/31/351057531.db2.gz VODGZUGGMAZVDB-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1Cc1cncs1 ZINC000159831880 351010387 /nfs/dbraw/zinc/01/03/87/351010387.db2.gz LSZAJMMKTFSVTK-NXEZZACHSA-N 1 0 210.346 2.451 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2cncnc2)CC1 ZINC000616626839 351106891 /nfs/dbraw/zinc/10/68/91/351106891.db2.gz CFWFDDDEKFZSRO-NSHDSACASA-N 1 0 205.305 2.066 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616632238 351111633 /nfs/dbraw/zinc/11/16/33/351111633.db2.gz LGRLNEJQZDGETF-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@H](c3cccnn3)C2)cc1 ZINC000616634479 351117104 /nfs/dbraw/zinc/11/71/04/351117104.db2.gz RLXLWZNFIRQRIN-AWEZNQCLSA-N 1 0 239.322 2.466 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1ccnc2ccccc21 ZINC000616635023 351117768 /nfs/dbraw/zinc/11/77/68/351117768.db2.gz ZYLVXUGAUGJSJU-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccc2ncccc2c1 ZINC000616636540 351126736 /nfs/dbraw/zinc/12/67/36/351126736.db2.gz DIPJZOHAIVJRPC-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccnc2ccccc21 ZINC000616636677 351126965 /nfs/dbraw/zinc/12/69/65/351126965.db2.gz AKSWMOMJXOKJGR-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO OCCc1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000616623402 351089545 /nfs/dbraw/zinc/08/95/45/351089545.db2.gz YKMKPIZNNYBPSL-CQSZACIVSA-N 1 0 219.328 2.426 10 0 BEAERO CC[N@@H+]1CCCCC[C@@H]1c1ncccn1 ZINC000616624359 351091718 /nfs/dbraw/zinc/09/17/18/351091718.db2.gz ZDTNFJZNGHYLSA-LLVKDONJSA-N 1 0 205.305 2.414 10 0 BEAERO Nc1ccc([C@H]2CCCCCN2CC[NH3+])cc1 ZINC000616624789 351092910 /nfs/dbraw/zinc/09/29/10/351092910.db2.gz RJGXJDPXAQECKR-CQSZACIVSA-N 1 0 233.359 2.145 10 0 BEAERO [NH3+]CCN1CCCCC[C@H]1c1cccc(CO)c1 ZINC000616625674 351094620 /nfs/dbraw/zinc/09/46/20/351094620.db2.gz SXNFNGDOCIUOGQ-HNNXBMFYSA-N 1 0 248.370 2.055 10 0 BEAERO CNc1ccccc1[C@@H]1CCCCN(CC[NH3+])C1 ZINC000616628406 351097801 /nfs/dbraw/zinc/09/78/01/351097801.db2.gz KRRVAMNXDPOJAR-CYBMUJFWSA-N 1 0 247.386 2.257 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1cccc(CO)c1 ZINC000616641149 351147659 /nfs/dbraw/zinc/14/76/59/351147659.db2.gz BMIYOIJZNXTOMG-AWEZNQCLSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H]1c1cccc(CCO)c1 ZINC000616641564 351149184 /nfs/dbraw/zinc/14/91/84/351149184.db2.gz IXPCMAMXOMCAMQ-HNNXBMFYSA-N 1 0 249.354 2.003 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccccc2N)C1 ZINC000616644668 351162123 /nfs/dbraw/zinc/16/21/23/351162123.db2.gz GYWASAJUDZUYFJ-CYBMUJFWSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2cccc(N)c2)C1 ZINC000616645139 351166997 /nfs/dbraw/zinc/16/69/97/351166997.db2.gz NHZIMNANQZPJCC-CYBMUJFWSA-N 1 0 220.316 2.051 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccc(N)cc1 ZINC000616645560 351168482 /nfs/dbraw/zinc/16/84/82/351168482.db2.gz OVQVKNJPKNIVTA-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO c1ccc2c(c1)ccnc2[C@H]1COCCC[NH2+]1 ZINC000616646424 351171448 /nfs/dbraw/zinc/17/14/48/351171448.db2.gz UHDPIHDLLIBSAQ-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO CNc1ccccc1[C@@H]1COCCC[N@@H+]1C ZINC000616650010 351173190 /nfs/dbraw/zinc/17/31/90/351173190.db2.gz UVLANEYQMLPOMJ-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO C[N@@H+]1CCCOC[C@H]1c1cccc(F)c1 ZINC000616650101 351173569 /nfs/dbraw/zinc/17/35/69/351173569.db2.gz XCVUIWRTXSUTPZ-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cncnc2)C1 ZINC000616650039 351173609 /nfs/dbraw/zinc/17/36/09/351173609.db2.gz QTJLPGKZUSBORF-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cncnc2)C1 ZINC000616653498 351193853 /nfs/dbraw/zinc/19/38/53/351193853.db2.gz QTJLPGKZUSBORF-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CC(=O)Nc1ccc([C@H]2C[N@H+](C)CCCO2)cc1 ZINC000616652515 351185159 /nfs/dbraw/zinc/18/51/59/351185159.db2.gz OKWFFWWFAPNPFQ-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO c1cnc2c(c1)cccc2[C@H]1C[NH2+]CCCO1 ZINC000616650712 351185452 /nfs/dbraw/zinc/18/54/52/351185452.db2.gz FBWAXGCWUCENRX-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO COc1cccc([C@@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616652018 351189984 /nfs/dbraw/zinc/18/99/84/351189984.db2.gz CRJNPLWLAYLQHQ-CQSZACIVSA-N 1 0 249.354 2.257 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H](n2ccc(N)n2)C1 ZINC000616654846 351190770 /nfs/dbraw/zinc/19/07/70/351190770.db2.gz OZODJPRMMZFHJB-LLVKDONJSA-N 1 0 236.363 2.121 10 0 BEAERO CCN1CCOC[C@@H]1c1cccc2ccnnc21 ZINC000616636889 351130779 /nfs/dbraw/zinc/13/07/79/351130779.db2.gz HKYDIQDIVZSMID-CYBMUJFWSA-N 1 0 243.310 2.023 10 0 BEAERO CNc1ccccc1[C@H]1CNCC[N@@H+]1C(C)(C)C ZINC000616637574 351134185 /nfs/dbraw/zinc/13/41/85/351134185.db2.gz PFXOZIOBFYYJHB-CQSZACIVSA-N 1 0 247.386 2.473 10 0 BEAERO C[C@@H]1C[C@H]1Nc1cc(N)[nH+]cc1Br ZINC000306829644 351139021 /nfs/dbraw/zinc/13/90/21/351139021.db2.gz KFKAGVNAMAAVID-IYSWYEEDSA-N 1 0 242.120 2.247 10 0 BEAERO FC(F)(F)CCNC1=[NH+]CCCS1 ZINC000063100801 351140410 /nfs/dbraw/zinc/14/04/10/351140410.db2.gz LGTPQPBLYVNKBU-UHFFFAOYSA-N 1 0 212.240 2.021 10 0 BEAERO CCOC(=O)N1CC[C@H](CC[NH3+])c2ccccc21 ZINC000616673794 351238017 /nfs/dbraw/zinc/23/80/17/351238017.db2.gz FIGHNCAZGISOMI-NSHDSACASA-N 1 0 248.326 2.486 10 0 BEAERO CN1CCO[C@@H](c2cc3ccccc3cn2)C1 ZINC000616676846 351241586 /nfs/dbraw/zinc/24/15/86/351241586.db2.gz MXBNYLBZBFHTSW-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO Nc1c[nH+]ccc1NCc1ccsc1 ZINC000063152764 351263711 /nfs/dbraw/zinc/26/37/11/351263711.db2.gz WHGXHQVCARUCHK-UHFFFAOYSA-N 1 0 205.286 2.337 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1cncnc1 ZINC000616678893 351249312 /nfs/dbraw/zinc/24/93/12/351249312.db2.gz OGTJORDHLMLTFG-HNNXBMFYSA-N 1 0 239.322 2.444 10 0 BEAERO C[N@@H+]1CCO[C@H](c2ccccc2F)CC1 ZINC000616686985 351257491 /nfs/dbraw/zinc/25/74/91/351257491.db2.gz OHXFXMZZECTCJX-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO c1cnc2cccc([C@@H]3CCOCC[NH2+]3)c2c1 ZINC000616657418 351198994 /nfs/dbraw/zinc/19/89/94/351198994.db2.gz AOZHKIMLDQTBNB-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1ccc(N)nc1 ZINC000616655925 351201838 /nfs/dbraw/zinc/20/18/38/351201838.db2.gz MRKXZEQPFVHPQK-GFCCVEGCSA-N 1 0 249.358 2.056 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616659642 351208219 /nfs/dbraw/zinc/20/82/19/351208219.db2.gz COGJNZGMFRHMQI-ZDUSSCGKSA-N 1 0 242.322 2.280 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc(CO)c2)C1 ZINC000616660728 351213548 /nfs/dbraw/zinc/21/35/48/351213548.db2.gz NYXCJIKUXULWCR-HNNXBMFYSA-N 1 0 249.354 2.003 10 0 BEAERO c1ccc2c(c1)ccnc2[C@H]1CCOCC[NH2+]1 ZINC000616661074 351214306 /nfs/dbraw/zinc/21/43/06/351214306.db2.gz YHCOYOLTGWHQAS-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO [NH3+][C@H]1CCCCC[C@H]1Nc1nccs1 ZINC000063214361 351280864 /nfs/dbraw/zinc/28/08/64/351280864.db2.gz AWOCUHPCMQGDJT-DTWKUNHWSA-N 1 0 211.334 2.215 10 0 BEAERO Clc1ccc(SC[C@H]2CCCC[NH2+]2)nn1 ZINC000095069982 180584763 /nfs/dbraw/zinc/58/47/63/180584763.db2.gz LVTMKOHDIYUEPL-MRVPVSSYSA-N 1 0 243.763 2.364 10 0 BEAERO [NH3+]Cc1ccc2c(F)ccc(Cl)c2n1 ZINC000231838313 351399954 /nfs/dbraw/zinc/39/99/54/351399954.db2.gz GRYTZZRSRZFPHW-UHFFFAOYSA-N 1 0 210.639 2.486 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]Cc2ccccc21 ZINC000228776028 351348006 /nfs/dbraw/zinc/34/80/06/351348006.db2.gz MQHAYLHGSZWLNR-GFCCVEGCSA-N 1 0 248.326 2.356 10 0 BEAERO C[C@@H]([NH2+]C1CCCC1)C(=O)NC1CCCCC1 ZINC000034936814 351350422 /nfs/dbraw/zinc/35/04/22/351350422.db2.gz APRSKKDQPMGYCW-LLVKDONJSA-N 1 0 238.375 2.356 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000034937121 351351125 /nfs/dbraw/zinc/35/11/25/351351125.db2.gz YJMVCVQEWBFLQO-QWRGUYRKSA-N 1 0 238.331 2.063 10 0 BEAERO CCC[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000034936822 351351141 /nfs/dbraw/zinc/35/11/41/351351141.db2.gz BUTQKKMHSZGXKN-NWDGAFQWSA-N 1 0 226.364 2.166 10 0 BEAERO C[C@@H](O)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000036846478 358463487 /nfs/dbraw/zinc/46/34/87/358463487.db2.gz DMVDYIKSYDXVMF-KPPDAEKUSA-N 1 0 223.291 2.042 10 0 BEAERO C[C@H](O)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000036846476 358463510 /nfs/dbraw/zinc/46/35/10/358463510.db2.gz DMVDYIKSYDXVMF-WHXUTIOJSA-N 1 0 223.291 2.042 10 0 BEAERO C[C@@]1(N)C[NH2+]C[C@H]1c1cccc(CC2CCC2)c1 ZINC000725268225 538100211 /nfs/dbraw/zinc/10/02/11/538100211.db2.gz PXVMCDZZNAUMHM-JKSUJKDBSA-N 1 0 244.382 2.433 10 0 BEAERO CN1c2ccc([C@H]([NH3+])C3CCCC3)cc2CC1=O ZINC000034940676 351356873 /nfs/dbraw/zinc/35/68/73/351356873.db2.gz WPQKLDMMWRKUGJ-OAHLLOKOSA-N 1 0 244.338 2.396 10 0 BEAERO Cc1csc(CNc2[nH+]ccn2C)c1 ZINC000306935609 351359862 /nfs/dbraw/zinc/35/98/62/351359862.db2.gz HGHWRAMFQYUSGU-UHFFFAOYSA-N 1 0 207.302 2.402 10 0 BEAERO Cn1cc([C@H]([NH3+])c2ccccc2Cl)cn1 ZINC000034957684 351362891 /nfs/dbraw/zinc/36/28/91/351362891.db2.gz FQGMCLKNEMFIME-NSHDSACASA-N 1 0 221.691 2.122 10 0 BEAERO C[C@@H]1CCSC(NCCC(F)(F)F)=[NH+]1 ZINC000133641500 351427685 /nfs/dbraw/zinc/42/76/85/351427685.db2.gz VUMGWLGRFZBDNN-ZCFIWIBFSA-N 1 0 226.267 2.410 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)c1ccsn1 ZINC000307021267 351429929 /nfs/dbraw/zinc/42/99/29/351429929.db2.gz DFPCFKYNSPQTTP-IUCAKERBSA-N 1 0 224.329 2.091 10 0 BEAERO Cn1ccnc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000036896220 358464902 /nfs/dbraw/zinc/46/49/02/358464902.db2.gz DCIUQHHVPFJAGD-UHFFFAOYSA-N 1 0 245.370 2.479 10 0 BEAERO CC(=[NH2+])NCc1ccc(Br)o1 ZINC000307040788 351444119 /nfs/dbraw/zinc/44/41/19/351444119.db2.gz QYNSOULDVJQXHM-UHFFFAOYSA-N 1 0 217.066 2.129 10 0 BEAERO Cc1nc(C(=O)C[C@H]2CC[C@@H]([NH3+])C2)cs1 ZINC000307054637 351455187 /nfs/dbraw/zinc/45/51/87/351455187.db2.gz XSQMEHPUUJBTLA-DTWKUNHWSA-N 1 0 224.329 2.152 10 0 BEAERO C/C(=C\Cl)C[N@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 ZINC000307060271 351457927 /nfs/dbraw/zinc/45/79/27/351457927.db2.gz IZPRHUSWZDKHAP-LTJOXERKSA-N 1 0 216.756 2.046 10 0 BEAERO Cc1csc(C[NH2+][C@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000307008796 351416503 /nfs/dbraw/zinc/41/65/03/351416503.db2.gz HCWHRBFLYDFREL-UTLUCORTSA-N 1 0 208.330 2.340 10 0 BEAERO O=C(Nc1ccsc1Cl)[C@@H]1CCC[NH2+]1 ZINC000307018615 351423672 /nfs/dbraw/zinc/42/36/72/351423672.db2.gz RFFFIYOZAFKIIO-ZETCQYMHSA-N 1 0 230.720 2.092 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000218302384 351497821 /nfs/dbraw/zinc/49/78/21/351497821.db2.gz IBXKFVJUCBWJGV-BZUAXINKSA-N 1 0 245.366 2.437 10 0 BEAERO F[C@@H](c1cscn1)[C@@H]1CCC[NH2+]C1 ZINC000307144086 351501899 /nfs/dbraw/zinc/50/18/99/351501899.db2.gz LORRUEHAULHFLL-VXNVDRBHSA-N 1 0 200.282 2.153 10 0 BEAERO F[C@H](c1cscn1)[C@H]1CCC[NH2+]C1 ZINC000307144081 351502137 /nfs/dbraw/zinc/50/21/37/351502137.db2.gz LORRUEHAULHFLL-CBAPKCEASA-N 1 0 200.282 2.153 10 0 BEAERO F[C@@H](c1cscn1)[C@H]1CCC[NH2+]C1 ZINC000307144083 351502434 /nfs/dbraw/zinc/50/24/34/351502434.db2.gz LORRUEHAULHFLL-IONNQARKSA-N 1 0 200.282 2.153 10 0 BEAERO C/C(=C\Cl)C[NH2+][C@H]1COC(C)(C)C1 ZINC000307093003 351473338 /nfs/dbraw/zinc/47/33/38/351473338.db2.gz SICRBWAWPUGVNI-WHXYTISESA-N 1 0 203.713 2.286 10 0 BEAERO C[C@H](C[NH+](C)C)Nc1cc(Cl)nc(Cl)n1 ZINC000307102914 351479921 /nfs/dbraw/zinc/47/99/21/351479921.db2.gz ZZSPRKLSWWMYQR-ZCFIWIBFSA-N 1 0 249.145 2.145 10 0 BEAERO c1ccc(C[NH2+][C@H]2CC23CCOCC3)cc1 ZINC000307107030 351481872 /nfs/dbraw/zinc/48/18/72/351481872.db2.gz FFZCJPHXOOWZCI-ZDUSSCGKSA-N 1 0 217.312 2.345 10 0 BEAERO Cc1cnc(C2(C[NH3+])CC2)c(Br)c1 ZINC000307126469 351491522 /nfs/dbraw/zinc/49/15/22/351491522.db2.gz CYDSTUCGMKOECM-UHFFFAOYSA-N 1 0 241.132 2.143 10 0 BEAERO CCC[C@H](C(=O)N1CCC[C@@H](CC)C1)[NH+](C)C ZINC000161543501 323545349 /nfs/dbraw/zinc/54/53/49/323545349.db2.gz NUXBVOFGWWVYDR-CHWSQXEVSA-N 1 0 240.391 2.365 10 0 BEAERO C[C@H](C(N)=S)[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000252107724 363069396 /nfs/dbraw/zinc/06/93/96/363069396.db2.gz HHHHTPQUWZYPOS-BBBLOLIVSA-N 1 0 214.378 2.172 10 0 BEAERO [NH3+]C1(CNc2nccs2)CCCCC1 ZINC000307191771 351593795 /nfs/dbraw/zinc/59/37/95/351593795.db2.gz KWAUOLVSKMPMNB-UHFFFAOYSA-N 1 0 211.334 2.217 10 0 BEAERO C/C(=C\Cl)C[NH2+][C@@H]1CCCOCC1 ZINC000307208468 351609040 /nfs/dbraw/zinc/60/90/40/351609040.db2.gz JRTARHAEFGDWHJ-TTZKWOQHSA-N 1 0 203.713 2.288 10 0 BEAERO CC[C@H](CC(=O)NCC[C@@H](C)[NH3+])C(C)(C)C ZINC000637823113 351667020 /nfs/dbraw/zinc/66/70/20/351667020.db2.gz DIIGBTMVZRDRMM-GHMZBOCLSA-N 1 0 228.380 2.302 10 0 BEAERO C[C@@]1([C@H]([NH3+])c2nccs2)CCCS1 ZINC000307247453 351752277 /nfs/dbraw/zinc/75/22/77/351752277.db2.gz MSMGXBNPIMDOEQ-APPZFPTMSA-N 1 0 214.359 2.429 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)NC1CCC(CC)CC1 ZINC000637920093 351795228 /nfs/dbraw/zinc/79/52/28/351795228.db2.gz WDIRZXKLQAAFGD-UNXYVOJBSA-N 1 0 226.364 2.069 10 0 BEAERO Cc1nc(C(=O)CC2CC[NH2+]CC2)cs1 ZINC000307250755 351770406 /nfs/dbraw/zinc/77/04/06/351770406.db2.gz PURVSCDTZNSTRF-UHFFFAOYSA-N 1 0 224.329 2.024 10 0 BEAERO [NH3+][C@H](Cc1sccc1Cl)c1cnns1 ZINC000307287576 351850582 /nfs/dbraw/zinc/85/05/82/351850582.db2.gz UYZYFWHJESDEBM-ZCFIWIBFSA-N 1 0 245.760 2.496 10 0 BEAERO CCC(CC)(CC)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000391215629 259421221 /nfs/dbraw/zinc/42/12/21/259421221.db2.gz FXBKILPMIHRDPP-VXGBXAGGSA-N 1 0 240.391 2.175 10 0 BEAERO CCc1cccc(CC)c1NC(=O)CC[NH3+] ZINC000011755208 187587185 /nfs/dbraw/zinc/58/71/85/187587185.db2.gz OKCWGJTVKFFZFE-UHFFFAOYSA-N 1 0 220.316 2.099 10 0 BEAERO Cn1cc([C@H]([NH3+])CC2CCCCC2)cn1 ZINC000034957612 180670446 /nfs/dbraw/zinc/67/04/46/180670446.db2.gz KQGKTCIFSXGLMA-GFCCVEGCSA-N 1 0 207.321 2.390 10 0 BEAERO CC[C@@H](CC(=O)NC[C@@H](C)[NH2+]C)C(C)(C)C ZINC000638222420 352081237 /nfs/dbraw/zinc/08/12/37/352081237.db2.gz SYDWAMJDRGDFGM-MNOVXSKESA-N 1 0 228.380 2.173 10 0 BEAERO [NH3+]Cc1ccc(-c2cccc(O)c2F)nc1F ZINC000725270428 538102002 /nfs/dbraw/zinc/10/20/02/538102002.db2.gz KTVWETJRJRSABD-UHFFFAOYSA-N 1 0 236.221 2.191 10 0 BEAERO Nc1cc[nH+]c(Nc2ccsc2)c1N ZINC000307343402 352090061 /nfs/dbraw/zinc/09/00/61/352090061.db2.gz XCWUHZNDDMCBTI-UHFFFAOYSA-N 1 0 206.274 2.051 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C2([NH3+])CCCC2)o1 ZINC000037616402 187597410 /nfs/dbraw/zinc/59/74/10/187597410.db2.gz NBYUTCGKXZMJKK-JTQLQIEISA-N 1 0 236.315 2.037 10 0 BEAERO C1=C[C@H]2C[C@@H]1C[C@H]2[NH2+]C[C@H]1CCCS1 ZINC000307348174 352112216 /nfs/dbraw/zinc/11/22/16/352112216.db2.gz QWWBFEGNWURSHF-WRWGMCAJSA-N 1 0 209.358 2.436 10 0 BEAERO C[NH2+]Cc1ccc(Cn2cc(Cl)cn2)cc1 ZINC000052577257 187610276 /nfs/dbraw/zinc/61/02/76/187610276.db2.gz HLQPJEGPVIFYKC-UHFFFAOYSA-N 1 0 235.718 2.304 10 0 BEAERO CC(C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055126655 187611485 /nfs/dbraw/zinc/61/14/85/187611485.db2.gz XRHIAGQQLQCGAN-XQHKEYJVSA-N 1 0 240.391 2.301 10 0 BEAERO C[C@@H]([NH2+]CCn1ccc(=O)cc1)c1cccs1 ZINC000061628565 187613562 /nfs/dbraw/zinc/61/35/62/187613562.db2.gz GUAPOMXLQZTSRA-LLVKDONJSA-N 1 0 248.351 2.261 10 0 BEAERO NN[C@H](C1CC1)[C@H]1CCCC(F)(F)C1 ZINC000300917176 363120036 /nfs/dbraw/zinc/12/00/36/363120036.db2.gz PIIHNLPDHRSGSC-DTWKUNHWSA-N 1 0 204.264 2.054 10 0 BEAERO CC(C)[C@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236630602 187628861 /nfs/dbraw/zinc/62/88/61/187628861.db2.gz FQHHRDUQIXXABY-FKJOKYEKSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@H](CC(N)=S)[N@@H+]1CCCCC[C@H]1C ZINC000252124434 363130020 /nfs/dbraw/zinc/13/00/20/363130020.db2.gz JVXSQGNGZBHOHZ-NXEZZACHSA-N 1 0 214.378 2.316 10 0 BEAERO Fc1c(F)c(F)c([C@@H]2CC[NH2+]2)c(F)c1F ZINC000044257926 352233379 /nfs/dbraw/zinc/23/33/79/352233379.db2.gz YGZLDMFLVBQBAO-VKHMYHEASA-N 1 0 223.144 2.417 10 0 in-vitro BEAERO O[C@H]1COCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC000628466916 358470088 /nfs/dbraw/zinc/47/00/88/358470088.db2.gz KNXNFWSREOBWLU-KGLIPLIRSA-N 1 0 241.375 2.086 10 0 BEAERO C(C[C@@H]1CCCC[NH2+]1)SC1CCOCC1 ZINC000062056274 187670016 /nfs/dbraw/zinc/67/00/16/187670016.db2.gz RLLZZMIMJVPIID-NSHDSACASA-N 1 0 229.389 2.431 10 0 BEAERO [NH3+]CCCCCOC(=O)NCc1ccccc1 ZINC000307359207 352342200 /nfs/dbraw/zinc/34/22/00/352342200.db2.gz DJXFBNIFKSXVGI-UHFFFAOYSA-N 1 0 236.315 2.042 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394874947 352344351 /nfs/dbraw/zinc/34/43/51/352344351.db2.gz WCJQRMWSYBDXDQ-JHJVBQTASA-N 1 0 223.360 2.460 10 0 BEAERO CCn1cc(C(F)F)c(C2CC[NH2+]CC2)n1 ZINC000725270277 538102849 /nfs/dbraw/zinc/10/28/49/538102849.db2.gz LAMMNIWLBOZUFU-UHFFFAOYSA-N 1 0 229.274 2.308 10 0 BEAERO CCCC[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271156 538103285 /nfs/dbraw/zinc/10/32/85/538103285.db2.gz IBLPAOKFRTVXMJ-RVMXOQNASA-N 1 0 209.333 2.334 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000135283119 187710009 /nfs/dbraw/zinc/71/00/09/187710009.db2.gz JOXLXCZFBIDELT-CHWSQXEVSA-N 1 0 238.375 2.310 10 0 BEAERO Cn1cccc1C[NH2+]CCc1ccsc1 ZINC000050596208 180730598 /nfs/dbraw/zinc/73/05/98/180730598.db2.gz ZKAJXPMIKDKIOT-UHFFFAOYSA-N 1 0 220.341 2.419 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(F)(F)C[C@@H]1C ZINC000638630421 352469861 /nfs/dbraw/zinc/46/98/61/352469861.db2.gz MGAPFDRSTHMETL-VHSXEESVSA-N 1 0 248.317 2.006 10 0 BEAERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC#N ZINC000307389792 352546661 /nfs/dbraw/zinc/54/66/61/352546661.db2.gz REVFNKVXSJVMRX-AWEZNQCLSA-N 1 0 243.354 2.358 10 0 BEAERO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CC(O)C2)C1 ZINC000235700875 352513223 /nfs/dbraw/zinc/51/32/23/352513223.db2.gz RMUZSCAOMIBXAC-JOTXSSJUSA-N 1 0 223.360 2.339 10 0 BEAERO CSC(C)(C)C[N@@H+]1CCC(=O)C[C@H]1C ZINC000229113743 352586116 /nfs/dbraw/zinc/58/61/16/352586116.db2.gz GADQIWNRDHBEEB-SECBINFHSA-N 1 0 215.362 2.181 10 0 BEAERO C[C@@H]1CCC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307414758 352588820 /nfs/dbraw/zinc/58/88/20/352588820.db2.gz MHBCOARUUKCLBM-DGCLKSJQSA-N 1 0 231.343 2.489 10 0 BEAERO O[C@H](c1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000307412969 352589981 /nfs/dbraw/zinc/58/99/81/352589981.db2.gz IEPUMFOFBKQIKW-JTQLQIEISA-N 1 0 232.110 2.246 10 0 BEAERO [NH3+][C@H]1CC[C@@](O)(c2ccsc2Cl)C1 ZINC000307434725 352595119 /nfs/dbraw/zinc/59/51/19/352595119.db2.gz MPHOCWYBYHDAPW-RCOVLWMOSA-N 1 0 217.721 2.100 10 0 BEAERO FC1(F)CC([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000307474934 352618594 /nfs/dbraw/zinc/61/85/94/352618594.db2.gz AOQHFXLLWPFDBB-VIFPVBQESA-N 1 0 203.232 2.066 10 0 BEAERO CC1(C)[C@@H]2CN(C(=[NH2+])NCc3ccccc3)C[C@@H]21 ZINC000307479102 352618904 /nfs/dbraw/zinc/61/89/04/352618904.db2.gz NWLOCHOULYOOGA-BETUJISGSA-N 1 0 243.354 2.299 10 0 BEAERO O[C@H](Cc1sccc1Cl)[C@H]1CCC[NH2+]1 ZINC000307466133 352616183 /nfs/dbraw/zinc/61/61/83/352616183.db2.gz ANFSCPNNXLTCSP-RKDXNWHRSA-N 1 0 231.748 2.057 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000307393092 352568889 /nfs/dbraw/zinc/56/88/89/352568889.db2.gz AIWYHEFGCNDGPS-ZIAGYGMSSA-N 1 0 241.338 2.382 10 0 BEAERO [NH3+]CC1(Oc2ccc(Cl)c(F)c2)CC1 ZINC000300742129 352572138 /nfs/dbraw/zinc/57/21/38/352572138.db2.gz IAJIHWNWFKBVPY-UHFFFAOYSA-N 1 0 215.655 2.349 10 0 BEAERO CC(C)(C)OC(=O)c1cnc2c(c1)[C@H]([NH3+])CCC2 ZINC000725273165 538104350 /nfs/dbraw/zinc/10/43/50/538104350.db2.gz WIWSVHTXLBICEY-LLVKDONJSA-N 1 0 248.326 2.373 10 0 BEAERO C[C@H]1SCC[C@@H]1NC(=[NH2+])C(C)(C)C ZINC000307536368 352639967 /nfs/dbraw/zinc/63/99/67/352639967.db2.gz SUEGCYCRIHCDTO-SFYZADRCSA-N 1 0 200.351 2.493 10 0 BEAERO Clc1sccc1N[C@H]1CC[NH2+]C1 ZINC000307543164 352645177 /nfs/dbraw/zinc/64/51/77/352645177.db2.gz DYSYPNZKOWWXKW-LURJTMIESA-N 1 0 202.710 2.175 10 0 BEAERO C[C@@H]1CC(Cc2cncs2)=C[C@@H]([NH3+])C1 ZINC000307572820 352658157 /nfs/dbraw/zinc/65/81/57/352658157.db2.gz FEKQRAAWJLZGAS-SCZZXKLOSA-N 1 0 208.330 2.369 10 0 BEAERO CN(CC(C)(C)C)C(=O)c1ccc(C[NH3+])cc1 ZINC000045064680 352663537 /nfs/dbraw/zinc/66/35/37/352663537.db2.gz OMEHPUAYEFRJBZ-UHFFFAOYSA-N 1 0 234.343 2.263 10 0 BEAERO COc1nc([C@H]2C[C@H](C)CC[NH2+]2)cs1 ZINC000307608745 352667034 /nfs/dbraw/zinc/66/70/34/352667034.db2.gz DDWWXGGLUSATCL-HTQZYQBOSA-N 1 0 212.318 2.212 10 0 BEAERO Cc1cc(Br)cnc1C(C)(C)[NH3+] ZINC000307491009 352621271 /nfs/dbraw/zinc/62/12/71/352621271.db2.gz GHSUGHIYKXOLRZ-UHFFFAOYSA-N 1 0 229.121 2.346 10 0 BEAERO CN(C(=[NH2+])NCc1ccccc1)[C@@H]1CCSC1 ZINC000307503429 352630279 /nfs/dbraw/zinc/63/02/79/352630279.db2.gz OOKFSLZFEBZJSB-GFCCVEGCSA-N 1 0 249.383 2.148 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000638756820 352687371 /nfs/dbraw/zinc/68/73/71/352687371.db2.gz LQASCECMYWWIIJ-MNOVXSKESA-N 1 0 248.326 2.157 10 0 BEAERO CC[C@@H]([NH2+]C[C@]1(O)CCSC1)C(C)(C)C ZINC000336744414 352695779 /nfs/dbraw/zinc/69/57/79/352695779.db2.gz ZIILJUPPSOTNMW-ZYHUDNBSSA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@@](C)([NH3+])c1ccncc1Br ZINC000307624723 352701712 /nfs/dbraw/zinc/70/17/12/352701712.db2.gz SBKSGICQQFZQPU-SECBINFHSA-N 1 0 229.121 2.428 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)c1cscn1 ZINC000307624848 352702581 /nfs/dbraw/zinc/70/25/81/352702581.db2.gz IXUNESRJOPJCSY-RKDXNWHRSA-N 1 0 224.329 2.233 10 0 BEAERO c1c[nH]c(SCC[NH2+]Cc2ccccc2)n1 ZINC000232451372 352675226 /nfs/dbraw/zinc/67/52/26/352675226.db2.gz LULVDMDMZNVUKG-UHFFFAOYSA-N 1 0 233.340 2.292 10 0 BEAERO CCCCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1C)C(C)C ZINC000111268870 168682700 /nfs/dbraw/zinc/68/27/00/168682700.db2.gz IWQDJUWJELEPJL-STQMWFEESA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@H]([NH3+])c1ccoc1Br ZINC000229299919 352933590 /nfs/dbraw/zinc/93/35/90/352933590.db2.gz FJJXROTWFJZFCQ-LURJTMIESA-N 1 0 204.067 2.452 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000319011030 538106099 /nfs/dbraw/zinc/10/60/99/538106099.db2.gz PJESMXHPGHOUCU-IUCAKERBSA-N 1 0 225.254 2.030 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCC12CC2 ZINC000638796715 352900699 /nfs/dbraw/zinc/90/06/99/352900699.db2.gz VUGBOSTVWHMKNY-VXGBXAGGSA-N 1 0 238.375 2.056 10 0 BEAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037304858 180826504 /nfs/dbraw/zinc/82/65/04/180826504.db2.gz BKDXFAKAPYGDCS-UVLXDEKHSA-N 1 0 243.354 2.352 10 0 BEAERO C1CCC(c2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000041161699 187945796 /nfs/dbraw/zinc/94/57/96/187945796.db2.gz RVASTRFXVGIYHT-UHFFFAOYSA-N 1 0 234.347 2.319 10 0 BEAERO C[C@@](O)(C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000306643489 353031576 /nfs/dbraw/zinc/03/15/76/353031576.db2.gz WUVCPFVBNUCLBO-GHMZBOCLSA-N 1 0 211.330 2.098 10 0 BEAERO CC[C@@](C)(NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000638858366 353035163 /nfs/dbraw/zinc/03/51/63/353035163.db2.gz OLWNTBMVRZDIAP-MPKXVKKWSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@](C)(NC(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000638858791 353035594 /nfs/dbraw/zinc/03/55/94/353035594.db2.gz VYHUXOXSEGWPIV-BXUZGUMPSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CO[C@@H](c2c(F)cccc2F)C[NH2+]1 ZINC000036986489 187932964 /nfs/dbraw/zinc/93/29/64/187932964.db2.gz WMVBIWWNGZIJEU-GMSGAONNSA-N 1 0 213.227 2.014 10 0 BEAERO CC(C)[NH+]1CCC(CNC(F)(F)F)CC1 ZINC000095088221 187974264 /nfs/dbraw/zinc/97/42/64/187974264.db2.gz YHDVVPFIDUUVEV-UHFFFAOYSA-N 1 0 224.270 2.216 10 0 BEAERO CC(C)=CCN1CCC([NH2+][C@@H]2C[C@H]2C)CC1 ZINC000052274474 187954596 /nfs/dbraw/zinc/95/45/96/187954596.db2.gz AHTNDRQGIWUOSE-TZMCWYRMSA-N 1 0 222.376 2.415 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000638864884 353038920 /nfs/dbraw/zinc/03/89/20/353038920.db2.gz DAMIIJWSXUTRDQ-NWDGAFQWSA-N 1 0 240.391 2.304 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCCC(C)(C)CC ZINC000638865819 353039849 /nfs/dbraw/zinc/03/98/49/353039849.db2.gz KNRZBNUSCIUZNM-JTQLQIEISA-N 1 0 214.353 2.056 10 0 BEAERO C[C@@H]1C[NH2+][C@H](c2ccc3c(c2)OCCO3)C1 ZINC000082366485 187967617 /nfs/dbraw/zinc/96/76/17/187967617.db2.gz RBNIVAUCSVLVFS-ONGXEEELSA-N 1 0 219.284 2.128 10 0 BEAERO COc1ccc([C@@H]([NH3+])[C@@H]2C[C@@H]2C)cc1OC ZINC000019415667 188002152 /nfs/dbraw/zinc/00/21/52/188002152.db2.gz QUSMOGWSSPRNDV-IYYTYJHQSA-N 1 0 221.300 2.360 10 0 BEAERO O[C@@H]1C[N@H+](Cc2ccccc2)CC12CCCC2 ZINC000307720610 353110425 /nfs/dbraw/zinc/11/04/25/353110425.db2.gz PDWOFRYRKMPEFZ-CQSZACIVSA-N 1 0 231.339 2.424 10 0 BEAERO Cc1cccnc1[C@]1(C[NH3+])CCCS1 ZINC000307723768 353112050 /nfs/dbraw/zinc/11/20/50/353112050.db2.gz WFFCXUBMRBDWOO-LLVKDONJSA-N 1 0 208.330 2.071 10 0 BEAERO CC1(C)CNC(SC(F)(F)F)=[NH+]C1 ZINC000307725477 353112290 /nfs/dbraw/zinc/11/22/90/353112290.db2.gz BSQVLJGKMYSQQC-UHFFFAOYSA-N 1 0 212.240 2.225 10 0 BEAERO CC(C)N(C)c1ccc(C[NH2+][C@H]2C[C@H]2C)cn1 ZINC000190952164 188003149 /nfs/dbraw/zinc/00/31/49/188003149.db2.gz WUHSXTHIJSBBNV-YPMHNXCESA-N 1 0 233.359 2.424 10 0 BEAERO [NH3+][C@@H](c1ccns1)[C@H]1CCCS1 ZINC000307456181 353077720 /nfs/dbraw/zinc/07/77/20/353077720.db2.gz DHTDIUASCSJVSK-HTRCEHHLSA-N 1 0 200.332 2.039 10 0 BEAERO CNC(=[NH2+])Nc1ccc(F)c(Br)c1 ZINC000160066575 353128050 /nfs/dbraw/zinc/12/80/50/353128050.db2.gz QKRIERFRCYBBOB-UHFFFAOYSA-N 1 0 246.083 2.154 10 0 BEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@H]1c1ccccc1 ZINC000096962700 188051111 /nfs/dbraw/zinc/05/11/11/188051111.db2.gz PZZMEFXCTZWZFX-VXGBXAGGSA-N 1 0 248.326 2.306 10 0 BEAERO C[C@H]1CCC[C@@H](CC(=O)C(F)(F)F)[NH2+]1 ZINC000130345315 538108991 /nfs/dbraw/zinc/10/89/91/538108991.db2.gz SDAGMUBYCAHXRH-BQBZGAKWSA-N 1 0 209.211 2.039 10 0 BEAERO CC1(C)CC[C@@H]1[NH2+][C@@H](CO)CC(F)(F)F ZINC000336760305 353171887 /nfs/dbraw/zinc/17/18/87/353171887.db2.gz MDXVVHRFKIWJHY-SFYZADRCSA-N 1 0 225.254 2.078 10 0 BEAERO FC(F)(F)C(F)(F)OC[C@H]1CCCC[NH2+]1 ZINC000091252393 180878382 /nfs/dbraw/zinc/87/83/82/180878382.db2.gz QGDSZTUSQIBDIM-ZCFIWIBFSA-N 1 0 233.180 2.300 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC000638996525 353232989 /nfs/dbraw/zinc/23/29/89/353232989.db2.gz MRGNZKXEKQVYPZ-JBLDHEPKSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H](CC1CCC1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638995817 353238602 /nfs/dbraw/zinc/23/86/02/353238602.db2.gz GGFSZKOFMZWNEE-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCCN1[C@H](C[NH3+])c1ccsc1 ZINC000252194467 363210027 /nfs/dbraw/zinc/21/00/27/363210027.db2.gz SDMAHBJAIMFVAY-GXSJLCMTSA-N 1 0 210.346 2.232 10 0 BEAERO CC[C@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000134451846 538112445 /nfs/dbraw/zinc/11/24/45/538112445.db2.gz LCRBQGATSPHRLX-JTQLQIEISA-N 1 0 216.288 2.478 10 0 BEAERO CSC[C@@H](C)Nc1[nH+]cc(N)cc1C ZINC000127222988 353265273 /nfs/dbraw/zinc/26/52/73/353265273.db2.gz CUEVXHUDIYDEEM-MRVPVSSYSA-N 1 0 211.334 2.136 10 0 BEAERO CC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116293200 188246124 /nfs/dbraw/zinc/24/61/24/188246124.db2.gz BELSKLBWASFBAR-NSHDSACASA-N 1 0 207.273 2.396 10 0 BEAERO CC(C)(CCc1ccccc1)[NH+]1CCNCC1 ZINC000071536446 188258690 /nfs/dbraw/zinc/25/86/90/188258690.db2.gz DQPDKAHKLWDFHE-UHFFFAOYSA-N 1 0 232.371 2.303 10 0 BEAERO CC(C)(C)c1ccc2oc([C@H](O)C[NH3+])nc2c1 ZINC000076166950 188269630 /nfs/dbraw/zinc/26/96/30/188269630.db2.gz PRDFQNZRSLDNQY-SNVBAGLBSA-N 1 0 234.299 2.117 10 0 BEAERO CC(C)C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000036158165 188278546 /nfs/dbraw/zinc/27/85/46/188278546.db2.gz PAWJUHGNNQLNCD-JTQLQIEISA-N 1 0 207.273 2.461 10 0 BEAERO COc1ccccc1NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000019430434 188280392 /nfs/dbraw/zinc/28/03/92/188280392.db2.gz YYXFZCNXRFNKQD-WDEREUQCSA-N 1 0 248.326 2.022 10 0 BEAERO CC(C)C[C@@H](C)Oc1cc(C(N)=[NH2+])ccn1 ZINC000019515452 188281983 /nfs/dbraw/zinc/28/19/83/188281983.db2.gz SYAKCSGQPNLJIC-SECBINFHSA-N 1 0 221.304 2.179 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@H]2CCCO2)c(C)c1 ZINC000019972092 188282143 /nfs/dbraw/zinc/28/21/43/188282143.db2.gz ZUMVGZPMILJQCP-OLZOCXBDSA-N 1 0 221.300 2.182 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000020522819 188282456 /nfs/dbraw/zinc/28/24/56/188282456.db2.gz IXONMFKIKABNPL-JOYOIKCWSA-N 1 0 221.300 2.460 10 0 BEAERO C([NH2+]C(C1CC1)C1CC1)[C@@H]1CCCOC1 ZINC000038044077 188283488 /nfs/dbraw/zinc/28/34/88/188283488.db2.gz IZORBXWNFPJFNF-JTQLQIEISA-N 1 0 209.333 2.191 10 0 BEAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000035105610 188285121 /nfs/dbraw/zinc/28/51/21/188285121.db2.gz CSXGPNBMYZTRLP-ZDSQKVDBSA-N 1 0 219.284 2.114 10 0 BEAERO CC(C)N(CC[NH2+]C[C@H]1CCCCO1)C(C)C ZINC000035151175 188285287 /nfs/dbraw/zinc/28/52/87/188285287.db2.gz WHFVZCUZMQNKHL-CQSZACIVSA-N 1 0 242.407 2.264 10 0 BEAERO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(N)c1 ZINC000036786502 188286392 /nfs/dbraw/zinc/28/63/92/188286392.db2.gz YLAZZTINQZYCTQ-NSHDSACASA-N 1 0 249.358 2.184 10 0 BEAERO CC(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000037264810 188287437 /nfs/dbraw/zinc/28/74/37/188287437.db2.gz WDSWQKCRJJAMIJ-NEPJUHHUSA-N 1 0 240.391 2.458 10 0 BEAERO CC(=O)Nc1ccc(SC[C@@H](C)[NH3+])cc1 ZINC000071531810 188288531 /nfs/dbraw/zinc/28/85/31/188288531.db2.gz FKLCZQIMMBETPC-MRVPVSSYSA-N 1 0 224.329 2.084 10 0 BEAERO CC(C)N(C)C(=O)C[NH2+]CCC1CCCCC1 ZINC000037741942 188288546 /nfs/dbraw/zinc/28/85/46/188288546.db2.gz SPSWIGRGYHIXEG-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO CC(C)(C[NH2+][C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000037935040 188289230 /nfs/dbraw/zinc/28/92/30/188289230.db2.gz LMRCKUKQMUZASS-KBPBESRZSA-N 1 0 233.355 2.467 10 0 BEAERO C[NH2+]Cc1cnn(-c2cc(C)cc(C)c2)c1 ZINC000040932555 188293080 /nfs/dbraw/zinc/29/30/80/188293080.db2.gz FZZLSVUBOZORNJ-UHFFFAOYSA-N 1 0 215.300 2.209 10 0 BEAERO Oc1ccc(SC[C@@H]2CCC[NH2+]2)cc1 ZINC000043497446 188295488 /nfs/dbraw/zinc/29/54/88/188295488.db2.gz VEZFYFMPRKTKKS-VIFPVBQESA-N 1 0 209.314 2.236 10 0 BEAERO CC(C)(C)OC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043586573 188295704 /nfs/dbraw/zinc/29/57/04/188295704.db2.gz KVRUUGQSHWPGOT-JTQLQIEISA-N 1 0 213.321 2.108 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(N)cn1 ZINC000049555056 188298346 /nfs/dbraw/zinc/29/83/46/188298346.db2.gz UXIYNGBGXOIWHP-GFCCVEGCSA-N 1 0 236.363 2.052 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)OCc1ccc(Cl)cc1 ZINC000049830801 188298651 /nfs/dbraw/zinc/29/86/51/188298651.db2.gz RQIOTFREEGILHW-NSHDSACASA-N 1 0 241.718 2.367 10 0 BEAERO Cc1ncn(Cc2cccc(C[NH3+])c2)c1C ZINC000051926129 188299528 /nfs/dbraw/zinc/29/95/28/188299528.db2.gz CDWJUXLPUIHSNP-UHFFFAOYSA-N 1 0 215.300 2.007 10 0 BEAERO CC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)[C@@H](C)COC)C1 ZINC000053928615 188300361 /nfs/dbraw/zinc/30/03/61/188300361.db2.gz JYWIEWFGPHGLGX-YNEHKIRRSA-N 1 0 241.375 2.349 10 0 BEAERO CC(C)N(C)C(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145631 188300399 /nfs/dbraw/zinc/30/03/99/188300399.db2.gz JPIMAHVYDXPOOQ-NEPJUHHUSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@H](C)[NH2+]CCn1nnc2ccccc21 ZINC000053527064 188300404 /nfs/dbraw/zinc/30/04/04/188300404.db2.gz UBTXADORJOROOI-NSHDSACASA-N 1 0 232.331 2.065 10 0 BEAERO CC(C)Cc1ccc(CCOCC[NH3+])cc1 ZINC000057952105 188301824 /nfs/dbraw/zinc/30/18/24/188301824.db2.gz MCRNATJHKYKIIW-UHFFFAOYSA-N 1 0 221.344 2.403 10 0 BEAERO CC(C)N(C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309335020 188302031 /nfs/dbraw/zinc/30/20/31/188302031.db2.gz IUWLNTUSETVYNW-QWHCGFSZSA-N 1 0 230.371 2.445 10 0 BEAERO Cc1csc(C[NH2+][C@@H]2CCCSC2)n1 ZINC000061588876 188302067 /nfs/dbraw/zinc/30/20/67/188302067.db2.gz HCFMNDSBPPGXLO-SECBINFHSA-N 1 0 228.386 2.437 10 0 BEAERO CC1(C)Cc2c(ccn2-c2cnoc2)[C@H]([NH3+])C1 ZINC000061685774 188302639 /nfs/dbraw/zinc/30/26/39/188302639.db2.gz CQZNUBPESDJDTJ-LLVKDONJSA-N 1 0 231.299 2.438 10 0 BEAERO CC(C)[C@@H]1CN(C)[C@H](c2ccccc2)C[NH2+]1 ZINC000062608963 188303403 /nfs/dbraw/zinc/30/34/03/188303403.db2.gz MUNQGLPBYJQVLX-KBPBESRZSA-N 1 0 218.344 2.287 10 0 BEAERO CC(C)C[C@H]1CN[C@@H](c2ccccc2)C[NH2+]1 ZINC000062608986 188303528 /nfs/dbraw/zinc/30/35/28/188303528.db2.gz PGCSIZLIAWGJLF-UONOGXRCSA-N 1 0 218.344 2.335 10 0 BEAERO Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)ccc1C=O ZINC000071189482 188305601 /nfs/dbraw/zinc/30/56/01/188305601.db2.gz MPJKBQRONYDATI-ZDUSSCGKSA-N 1 0 246.354 2.195 10 0 BEAERO CC(C)([NH3+])C(=O)c1c(F)cccc1Cl ZINC000071519467 188305783 /nfs/dbraw/zinc/30/57/83/188305783.db2.gz PSSRFQONOKBTBG-UHFFFAOYSA-N 1 0 215.655 2.399 10 0 BEAERO CC(C)(C)c1ccnc(C2CC[NH2+]CC2)n1 ZINC000070951584 188305884 /nfs/dbraw/zinc/30/58/84/188305884.db2.gz UUCFEOCTMPUYBY-UHFFFAOYSA-N 1 0 219.332 2.241 10 0 BEAERO CC[C@H](CC[NH3+])C(=O)N(CC)c1ccccc1 ZINC000076616554 188309890 /nfs/dbraw/zinc/30/98/90/188309890.db2.gz YRMBCOKFCIRWGV-GFCCVEGCSA-N 1 0 234.343 2.415 10 0 BEAERO CC(C)C[C@H]([NH3+])CN(C)CC(C)(C)C ZINC000045089685 188325892 /nfs/dbraw/zinc/32/58/92/188325892.db2.gz NXRWLGMDWMKYRF-NSHDSACASA-N 1 0 200.370 2.338 10 0 BEAERO C[C@@H]1Oc2c(ccc(Cl)c2F)[C@@H]1[NH3+] ZINC000130685424 353359289 /nfs/dbraw/zinc/35/92/89/353359289.db2.gz HLKMBBLZLVGROU-RNHFCUEFSA-N 1 0 201.628 2.260 10 0 BEAERO [NH3+][C@@H](C(=O)NCCC1CCCC1)c1ccccc1 ZINC000037740084 188326348 /nfs/dbraw/zinc/32/63/48/188326348.db2.gz QPFOIBRVEFVDIQ-CQSZACIVSA-N 1 0 246.354 2.383 10 0 BEAERO Cc1ccc(O)c(C[NH2+]CCc2ccco2)n1 ZINC000112716324 188327709 /nfs/dbraw/zinc/32/77/09/188327709.db2.gz OBRUHBSMWJKIKM-UHFFFAOYSA-N 1 0 232.283 2.021 10 0 BEAERO COc1ccc(CC[NH+]2[C@@H](C)COC[C@@H]2C)cc1 ZINC000120809486 188328816 /nfs/dbraw/zinc/32/88/16/188328816.db2.gz AGRFNBQOLVFNFY-STQMWFEESA-N 1 0 249.354 2.347 10 0 BEAERO Nc1ccc(SCC2CCOCC2)cn1 ZINC000052173104 188332423 /nfs/dbraw/zinc/33/24/23/188332423.db2.gz BNAREZYJCQPGPD-UHFFFAOYSA-N 1 0 224.329 2.183 10 0 BEAERO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000300844290 188335965 /nfs/dbraw/zinc/33/59/65/188335965.db2.gz DPOIIKIZIUYYGU-AVGNSLFASA-N 1 0 213.365 2.419 10 0 BEAERO CC[C@H]([NH2+]C[C@@H](O)C(C)C)C(C)(C)C ZINC000336671739 188340851 /nfs/dbraw/zinc/34/08/51/188340851.db2.gz ZDJJCQRJYGYKHZ-MNOVXSKESA-N 1 0 201.354 2.418 10 0 BEAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946634 188351636 /nfs/dbraw/zinc/35/16/36/188351636.db2.gz RKMZQTBJYNFYJA-DGCLKSJQSA-N 1 0 210.365 2.105 10 0 BEAERO COc1ccc(Cl)cc1NCC[NH+](C)C ZINC000020048766 188352429 /nfs/dbraw/zinc/35/24/29/188352429.db2.gz PGPDUISNTGVJED-UHFFFAOYSA-N 1 0 228.723 2.322 10 0 BEAERO COc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000071558541 188363630 /nfs/dbraw/zinc/36/36/30/188363630.db2.gz IZUXSGBNMQJACZ-RYUDHWBXSA-N 1 0 243.734 2.365 10 0 BEAERO C[C@@H]1CCC[N@@H+]1[C@H](CN)c1cccs1 ZINC000252215992 363221357 /nfs/dbraw/zinc/22/13/57/363221357.db2.gz XROIELXLESQYES-NXEZZACHSA-N 1 0 210.346 2.232 10 0 BEAERO CC1(C)CN(C/C=C/Cl)C(C)(C)C[NH2+]1 ZINC000232791362 353471403 /nfs/dbraw/zinc/47/14/03/353471403.db2.gz PJMSURDZEYTKDA-AATRIKPKSA-N 1 0 216.756 2.201 10 0 BEAERO Fc1ccc(N2CCC[NH2+]CC2)cc1Cl ZINC000071533835 180976276 /nfs/dbraw/zinc/97/62/76/180976276.db2.gz YWLJEHHLABUBGE-UHFFFAOYSA-N 1 0 228.698 2.279 10 0 BEAERO Fc1ccc(N2CCC[NH2+]CCC2)c(F)c1F ZINC000049663738 180976990 /nfs/dbraw/zinc/97/69/90/180976990.db2.gz UZLCWWOYBYUZFF-UHFFFAOYSA-N 1 0 244.260 2.294 10 0 BEAERO CC1(Nc2c(N)c[nH+]cc2Br)CC1 ZINC000232813541 353576231 /nfs/dbraw/zinc/57/62/31/353576231.db2.gz YTVQNDMCUAKSHA-UHFFFAOYSA-N 1 0 242.120 2.391 10 0 BEAERO Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000399012065 353586974 /nfs/dbraw/zinc/58/69/74/353586974.db2.gz BZSPXDSPDJQNSJ-CMPLNLGQSA-N 1 0 249.314 2.456 10 0 BEAERO Fc1ccc([C@@H]2C[NH2+]CO2)cc1Cl ZINC000082531574 180981813 /nfs/dbraw/zinc/98/18/13/180981813.db2.gz OLYLYLKTVUHABH-VIFPVBQESA-N 1 0 201.628 2.098 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(Br)o1 ZINC000252413343 363238465 /nfs/dbraw/zinc/23/84/65/363238465.db2.gz OLGFTDQHASOYEV-RRKCRQDMSA-N 1 0 230.105 2.493 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231642436 353636695 /nfs/dbraw/zinc/63/66/95/353636695.db2.gz CJJBSHZMLNWFDH-JTQLQIEISA-N 1 0 248.326 2.152 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000231675754 353642148 /nfs/dbraw/zinc/64/21/48/353642148.db2.gz LRXBDUXDJMFGMJ-DGCLKSJQSA-N 1 0 232.327 2.064 10 0 BEAERO CC(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916826 358480344 /nfs/dbraw/zinc/48/03/44/358480344.db2.gz YBLWQFFCYPOZGU-CHWSQXEVSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000114838993 324185510 /nfs/dbraw/zinc/18/55/10/324185510.db2.gz WMQIYLJQZHLVOF-GXTWGEPZSA-N 1 0 218.344 2.259 10 0 BEAERO Fc1cccc2c1[C@@H](N1CCCC1)C[NH2+]C2 ZINC000022812991 181006635 /nfs/dbraw/zinc/00/66/35/181006635.db2.gz IRQCXKCHEBQEES-LBPRGKRZSA-N 1 0 220.291 2.066 10 0 BEAERO [NH3+][C@H](C1CC1)[C@H]1Cc2ccccc2S1 ZINC000097239553 353715248 /nfs/dbraw/zinc/71/52/48/353715248.db2.gz CBZGLGRVEPMWKH-VXGBXAGGSA-N 1 0 205.326 2.441 10 0 BEAERO Fc1cccc(NCC[NH+]2CCSCC2)c1 ZINC000053374324 181002322 /nfs/dbraw/zinc/00/23/22/181002322.db2.gz IOCFNMGUCABEDW-UHFFFAOYSA-N 1 0 240.347 2.286 10 0 BEAERO Fc1cccc(OC[C@H]2CCC[NH2+]2)c1F ZINC000062615167 181002932 /nfs/dbraw/zinc/00/29/32/181002932.db2.gz VHHWNFCVFAZTLA-MRVPVSSYSA-N 1 0 213.227 2.096 10 0 BEAERO Fc1ccccc1C[C@@H]1C[NH2+]CCS1 ZINC000071518273 181012851 /nfs/dbraw/zinc/01/28/51/181012851.db2.gz QXTMNRATDSWTPO-SNVBAGLBSA-N 1 0 211.305 2.073 10 0 BEAERO Fc1cccnc1OCC[C@@H]1CCCC[NH2+]1 ZINC000054701245 181017501 /nfs/dbraw/zinc/01/75/01/181017501.db2.gz INZNWDAQOZNDOO-JTQLQIEISA-N 1 0 224.279 2.132 10 0 BEAERO CO[C@H](C[NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000639135192 353844741 /nfs/dbraw/zinc/84/47/41/353844741.db2.gz HYURKOSPYNGRCT-JTNHKYCSSA-N 1 0 241.375 2.205 10 0 BEAERO CCC[S@](=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000252475421 363334495 /nfs/dbraw/zinc/33/44/95/363334495.db2.gz BYCZYRCJPPJHJG-SUNKGSAMSA-N 1 0 217.378 2.195 10 0 BEAERO Cc1c[nH+]ccc1N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334645286 354403954 /nfs/dbraw/zinc/40/39/54/354403954.db2.gz OESZUUVPOXLLTL-JSGCOSHPSA-N 1 0 244.338 2.395 10 0 BEAERO [NH3+]Cc1nccc2c(Cl)cc(F)cc21 ZINC000521401847 259455321 /nfs/dbraw/zinc/45/53/21/259455321.db2.gz QFNKACUEIWJRIQ-UHFFFAOYSA-N 1 0 210.639 2.486 10 0 BEAERO C[C@@H](c1nncn1C)[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000335085685 354619506 /nfs/dbraw/zinc/61/95/06/354619506.db2.gz LDCXXBKQAMRNOG-QWRGUYRKSA-N 1 0 234.347 2.141 10 0 BEAERO Fc1cccc(CC2C[NH2+]C2)c1Br ZINC000130593865 363429449 /nfs/dbraw/zinc/42/94/49/363429449.db2.gz QQPLHBKMHWEUNM-UHFFFAOYSA-N 1 0 244.107 2.350 10 0 BEAERO CCC(C)(C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000335202666 355036901 /nfs/dbraw/zinc/03/69/01/355036901.db2.gz ILUWZRMVNJGAIS-VXGBXAGGSA-N 1 0 238.375 2.118 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000040502996 358493793 /nfs/dbraw/zinc/49/37/93/358493793.db2.gz PORNHQTXJNSOQL-LLVKDONJSA-N 1 0 239.388 2.025 10 0 BEAERO NC(=[NH2+])CCOc1ccc(Cl)c(F)c1 ZINC000075881271 181186129 /nfs/dbraw/zinc/18/61/29/181186129.db2.gz MVJNBFVZPBQCLQ-UHFFFAOYSA-N 1 0 216.643 2.184 10 0 BEAERO NC(=[NH2+])CCN(c1nc2ccccc2o1)C1CC1 ZINC000042548294 181186303 /nfs/dbraw/zinc/18/63/03/181186303.db2.gz FNOCMNLCYXEJGZ-UHFFFAOYSA-N 1 0 244.298 2.123 10 0 BEAERO CCC[NH2+]C[C@H](C)C(=O)OCc1ccccc1 ZINC000233093557 355375983 /nfs/dbraw/zinc/37/59/83/355375983.db2.gz MAUQFDUVUKEFBK-LBPRGKRZSA-N 1 0 235.327 2.366 10 0 BEAERO NC(=[NH2+])Cc1ccc(OC2CCCC2)cc1 ZINC000019430455 181188587 /nfs/dbraw/zinc/18/85/87/181188587.db2.gz MSLPMSAJCXVMNY-UHFFFAOYSA-N 1 0 218.300 2.486 10 0 BEAERO NC(=[NH2+])c1cc(F)ccc1COCc1ccco1 ZINC000071268159 181194208 /nfs/dbraw/zinc/19/42/08/181194208.db2.gz BLZBDFWICURWDO-UHFFFAOYSA-N 1 0 248.257 2.420 10 0 BEAERO NC(=[NH2+])SCCOc1cccc(Cl)c1 ZINC000029334693 181192643 /nfs/dbraw/zinc/19/26/43/181192643.db2.gz BULXMWRLVMETNS-UHFFFAOYSA-N 1 0 230.720 2.345 10 0 BEAERO NC(=[NH2+])c1ccc(CSc2cnccn2)cc1 ZINC000104363913 181194816 /nfs/dbraw/zinc/19/48/16/181194816.db2.gz KGYLVNZPWKULQW-UHFFFAOYSA-N 1 0 244.323 2.053 10 0 BEAERO NC(=[NH2+])c1ccc(OC2CCCC2)cc1 ZINC000019515761 181195048 /nfs/dbraw/zinc/19/50/48/181195048.db2.gz MWOGXEQONGAQRO-UHFFFAOYSA-N 1 0 204.273 2.292 10 0 BEAERO NC(=[NH2+])c1ccc(NC2CC2)c(Cl)c1 ZINC000062794298 181195133 /nfs/dbraw/zinc/19/51/33/181195133.db2.gz KVDGVCSFBBKPJW-UHFFFAOYSA-N 1 0 209.680 2.198 10 0 BEAERO NC(=[NH2+])c1ccc(Cl)cc1NC1CC1 ZINC000062788985 181195529 /nfs/dbraw/zinc/19/55/29/181195529.db2.gz BCTLMRNDTIZQRX-UHFFFAOYSA-N 1 0 209.680 2.198 10 0 BEAERO NC(=[NH2+])c1ccccc1COCc1ccco1 ZINC000019511517 181195873 /nfs/dbraw/zinc/19/58/73/181195873.db2.gz AYSCARDYIFWZFW-UHFFFAOYSA-N 1 0 230.267 2.280 10 0 BEAERO NC(=[NH2+])c1cccnc1Oc1ccccc1F ZINC000019440470 181195974 /nfs/dbraw/zinc/19/59/74/181195974.db2.gz SFSBJDLNIBTAJX-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO [NH2+]=C(NCC1CCC1)NC1CCCCC1 ZINC000052047054 181199432 /nfs/dbraw/zinc/19/94/32/181199432.db2.gz NQAQAJKMVPAHQZ-UHFFFAOYSA-N 1 0 209.337 2.233 10 0 BEAERO NC(=[NH2+])c1cccnc1OC1CCCCC1 ZINC000019475055 181196635 /nfs/dbraw/zinc/19/66/35/181196635.db2.gz VSAPAQQOVZQOQC-UHFFFAOYSA-N 1 0 219.288 2.077 10 0 BEAERO NC(=[NH2+])c1ncccc1COC1CCCCC1 ZINC000061658547 181197255 /nfs/dbraw/zinc/19/72/55/181197255.db2.gz MIFOEQNCKHTAHF-UHFFFAOYSA-N 1 0 233.315 2.215 10 0 BEAERO [NH2+]=C(NC1CC1)N[C@H]1CCCc2ccccc21 ZINC000052042461 181197633 /nfs/dbraw/zinc/19/76/33/181197633.db2.gz SFEFEOMKCYKFBD-ZDUSSCGKSA-N 1 0 229.327 2.340 10 0 BEAERO [NH2+]=C(Nc1ccccc1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249251259 181200301 /nfs/dbraw/zinc/20/03/01/181200301.db2.gz BYKIUHWSUIJEFJ-YNEHKIRRSA-N 1 0 245.326 2.190 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCC(C)C ZINC000040652886 358497813 /nfs/dbraw/zinc/49/78/13/358497813.db2.gz KOMDTRVHEGYAQQ-LBPRGKRZSA-N 1 0 243.395 2.062 10 0 BEAERO CC(C)N(C)c1cc(C[NH3+])c(Cl)cn1 ZINC000166559228 355691994 /nfs/dbraw/zinc/69/19/94/355691994.db2.gz DNEHIASKMDAANA-UHFFFAOYSA-N 1 0 213.712 2.038 10 0 BEAERO [NH2+]=C([C@H]1COc2ccccc2O1)N1CCCCC1 ZINC000049926567 181206886 /nfs/dbraw/zinc/20/68/86/181206886.db2.gz MZXSHTVREBBPKU-CYBMUJFWSA-N 1 0 246.310 2.290 10 0 BEAERO [NH2+]=C1c2ccccc2CN1CCc1ccccn1 ZINC000020078805 181207314 /nfs/dbraw/zinc/20/73/14/181207314.db2.gz JNIOBZOZPNSGSQ-UHFFFAOYSA-N 1 0 237.306 2.465 10 0 BEAERO [NH2+]=C1SCCN1Cc1ccc(Cl)nc1 ZINC000004393398 181208143 /nfs/dbraw/zinc/20/81/43/181208143.db2.gz WJLMZDWUGGHQEH-UHFFFAOYSA-N 1 0 227.720 2.219 10 0 BEAERO C[C@]1(Cc2ncc(Cl)s2)CCC[NH2+]1 ZINC000223358974 355759773 /nfs/dbraw/zinc/75/97/73/355759773.db2.gz BGKFFQUAAYQQPZ-SECBINFHSA-N 1 0 216.737 2.481 10 0 BEAERO Cc1ccc([C@H](O)[C@@H](C)[NH3+])c(Br)c1 ZINC000129658341 355815716 /nfs/dbraw/zinc/81/57/16/355815716.db2.gz IGGXECALINLYLP-GMSGAONNSA-N 1 0 244.132 2.138 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC000389197800 355839613 /nfs/dbraw/zinc/83/96/13/355839613.db2.gz XUZSUFBXXMLVGJ-CYBMUJFWSA-N 1 0 236.334 2.318 10 0 BEAERO [NH3+][C@@H]1[C@H](O)c2ccccc2[C@H]2CCCC[C@H]12 ZINC000383971253 355840457 /nfs/dbraw/zinc/84/04/57/355840457.db2.gz ODVVAFUODGOJKC-DGFQIJBJSA-N 1 0 217.312 2.335 10 0 BEAERO C[C@H]1CC[C@H](Nc2ccc(C#N)cc2)C[NH2+]1 ZINC000399202897 355851667 /nfs/dbraw/zinc/85/16/67/355851667.db2.gz UUVCWWRDTRPOCP-GWCFXTLKSA-N 1 0 215.300 2.111 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000399287350 355903606 /nfs/dbraw/zinc/90/36/06/355903606.db2.gz ZTYGHWJOWFGUOU-VHSXEESVSA-N 1 0 235.287 2.147 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1ncc(Cl)s1 ZINC000300209457 358499594 /nfs/dbraw/zinc/49/95/94/358499594.db2.gz GMHWUVFYFNPFNG-KVQBGUIXSA-N 1 0 202.710 2.247 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000192314400 355978786 /nfs/dbraw/zinc/97/87/86/355978786.db2.gz KIYNDZKXPIROGP-ZIAGYGMSSA-N 1 0 217.312 2.201 10 0 BEAERO CC(C)=CC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167360554 355985533 /nfs/dbraw/zinc/98/55/33/355985533.db2.gz BXKIGNFEDBRREE-UHFFFAOYSA-N 1 0 230.311 2.237 10 0 BEAERO NC(=O)CC[C@@H]([NH3+])c1csc2ccccc21 ZINC000037483916 181226819 /nfs/dbraw/zinc/22/68/19/181226819.db2.gz YKGYVMPNRBRXCN-SNVBAGLBSA-N 1 0 234.324 2.167 10 0 BEAERO CCN1CCC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000309058389 491087293 /nfs/dbraw/zinc/08/72/93/491087293.db2.gz VMWJJFVWWZJFLU-GFCCVEGCSA-N 1 0 210.365 2.251 10 0 BEAERO CCC(F)(F)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000639489706 356306619 /nfs/dbraw/zinc/30/66/19/356306619.db2.gz SOUVJMAZHMDJNU-WDEREUQCSA-N 1 0 232.318 2.200 10 0 BEAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1ccsc1 ZINC000037969635 181264987 /nfs/dbraw/zinc/26/49/87/181264987.db2.gz BTXZYXLMIXNSER-NSHDSACASA-N 1 0 238.356 2.197 10 0 BEAERO CN(C)c1ccc(C[NH3+])c(OC(F)(F)F)c1 ZINC000396123886 356454624 /nfs/dbraw/zinc/45/46/24/356454624.db2.gz XKZUFVOVLRVYHK-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO CCCCC1CCC(C(=O)NCCC[NH3+])CC1 ZINC000019479166 356483644 /nfs/dbraw/zinc/48/36/44/356483644.db2.gz ABOYTVPRBBNKGN-UHFFFAOYSA-N 1 0 240.391 2.448 10 0 BEAERO Cc1cc(Cc2nccs2)cnc1N ZINC000129742884 356474156 /nfs/dbraw/zinc/47/41/56/356474156.db2.gz GVFFYONZQHFZEL-UHFFFAOYSA-N 1 0 205.286 2.020 10 0 BEAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1ccsc1 ZINC000037969636 181278151 /nfs/dbraw/zinc/27/81/51/181278151.db2.gz BTXZYXLMIXNSER-LLVKDONJSA-N 1 0 238.356 2.197 10 0 BEAERO CCc1nc(C[NH2+]C[C@@H]2CCCOC2)cs1 ZINC000049591330 356493161 /nfs/dbraw/zinc/49/31/61/356493161.db2.gz DUGCCQGFGZRXTE-JTQLQIEISA-N 1 0 240.372 2.222 10 0 BEAERO C[C@H]1C[NH+](CC2CC(F)(F)C2)C[C@H](C)O1 ZINC000336196818 134126768 /nfs/dbraw/zinc/12/67/68/134126768.db2.gz ZXQUDBWCRZUSFU-IUCAKERBSA-N 1 0 219.275 2.141 10 0 BEAERO COc1nscc1[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000675059512 538484421 /nfs/dbraw/zinc/48/44/21/538484421.db2.gz QRSKRXJRXVHEOK-APPZFPTMSA-N 1 0 212.318 2.355 10 0 BEAERO O=Cc1cc(C=C2CC[NH2+]CC2)cs1 ZINC000675051191 538473979 /nfs/dbraw/zinc/47/39/79/538473979.db2.gz CYYLZVHWPQRTPT-UHFFFAOYSA-N 1 0 207.298 2.327 10 0 BEAERO CC(C)N(CC12CCC(CC1)[NH2+]2)C(C)C ZINC000675055864 538477107 /nfs/dbraw/zinc/47/71/07/538477107.db2.gz AHXYHENIQVJZQR-UHFFFAOYSA-N 1 0 210.365 2.390 10 0 BEAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000122738500 363536464 /nfs/dbraw/zinc/53/64/64/363536464.db2.gz AMICGSUQDCZHIE-NEPJUHHUSA-N 1 0 240.391 2.317 10 0 BEAERO C[C@H]1CCCN(CC23CCC(CC2)[NH2+]3)C1 ZINC000675056241 538477970 /nfs/dbraw/zinc/47/79/70/538477970.db2.gz MZBIBULHADXDSP-HIFPTAJRSA-N 1 0 208.349 2.003 10 0 BEAERO Nc1cccc2c1C[NH2+]C[C@@H]2C(F)(F)F ZINC000675056397 538478204 /nfs/dbraw/zinc/47/82/04/538478204.db2.gz PKRYYBUUOZLNJP-QMMMGPOBSA-N 1 0 216.206 2.018 10 0 BEAERO Cc1cc(F)cc(N2CC[NH2+][C@@H](C)CC2)c1 ZINC000675059670 538485061 /nfs/dbraw/zinc/48/50/61/538485061.db2.gz TXDRBFGVQDOCGA-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO CCCc1cn2c(n1)[C@H](CC)[NH2+]CCC2 ZINC000675068147 538495658 /nfs/dbraw/zinc/49/56/58/538495658.db2.gz MZRVLEHOZOEZRG-NSHDSACASA-N 1 0 207.321 2.280 10 0 BEAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000167996519 134155553 /nfs/dbraw/zinc/15/55/53/134155553.db2.gz QFLONRVMGKDWJY-RAIGVLPGSA-N 1 0 211.349 2.316 10 0 BEAERO COc1ncccc1[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000675072300 538502675 /nfs/dbraw/zinc/50/26/75/538502675.db2.gz BFLOLNUPNRBJNJ-ONGXEEELSA-N 1 0 206.289 2.293 10 0 BEAERO CC(C)C[C@@](C)(C[NH3+])C(=O)OC(C)(C)C ZINC000675072488 538503299 /nfs/dbraw/zinc/50/32/99/538503299.db2.gz DGNHGPHGNWFZCO-LBPRGKRZSA-N 1 0 215.337 2.339 10 0 BEAERO C[C@@H]([NH3+])c1ccc(-c2cnn3cccnc23)cc1 ZINC000675072482 538503304 /nfs/dbraw/zinc/50/33/04/538503304.db2.gz HOCLZDMVSKIOMS-SNVBAGLBSA-N 1 0 238.294 2.416 10 0 BEAERO COC(=O)[C@H](C[NH3+])[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000675072438 538503576 /nfs/dbraw/zinc/50/35/76/538503576.db2.gz CHRPOSXEYGVLLH-OUAUKWLOSA-N 1 0 227.348 2.197 10 0 BEAERO CCCNC(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675073294 538504914 /nfs/dbraw/zinc/50/49/14/538504914.db2.gz IONAECACNWFYKQ-UHFFFAOYSA-N 1 0 241.379 2.137 10 0 BEAERO C[C@@H]([NH3+])c1ccc(-c2cnn3c2NCCC3)cc1 ZINC000675073152 538505222 /nfs/dbraw/zinc/50/52/22/538505222.db2.gz SFWMRGUCBINAMM-SNVBAGLBSA-N 1 0 242.326 2.385 10 0 BEAERO CCCC(=O)NCCCC1([NH3+])CCCCC1 ZINC000675073573 538505599 /nfs/dbraw/zinc/50/55/99/538505599.db2.gz LQGLVIHKIJXSDD-UHFFFAOYSA-N 1 0 226.364 2.345 10 0 BEAERO CCON(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000675073452 538506039 /nfs/dbraw/zinc/50/60/39/538506039.db2.gz IZIFJSXYUKWNPI-AWEZNQCLSA-N 1 0 234.343 2.192 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C(C)C ZINC000167766835 134153982 /nfs/dbraw/zinc/15/39/82/134153982.db2.gz LQVXGMSKJZTRLH-GHMZBOCLSA-N 1 0 236.363 2.310 10 0 BEAERO COc1nsc(OC)c1C[NH2+]C(C)(C)C ZINC000675075327 538508829 /nfs/dbraw/zinc/50/88/29/538508829.db2.gz MGHWSNYGZQFENH-UHFFFAOYSA-N 1 0 230.333 2.048 10 0 BEAERO [NH3+]CC[C@H](O)c1c(Cl)cccc1Cl ZINC000083557798 538513820 /nfs/dbraw/zinc/51/38/20/538513820.db2.gz PHOCYVMEHORFNF-QMMMGPOBSA-N 1 0 220.099 2.376 10 0 BEAERO COc1ccc([C@]23C[C@H](CC2)[C@H]3[NH3+])cc1 ZINC000675081264 538521381 /nfs/dbraw/zinc/52/13/81/538521381.db2.gz OOISVIBOZJZTAW-ZWKOPEQDSA-N 1 0 203.285 2.074 10 0 BEAERO CC[NH+](CC)CCOc1cncc(Cl)c1 ZINC000675077170 538512091 /nfs/dbraw/zinc/51/20/91/538512091.db2.gz ZAIBUYFSILWJPY-UHFFFAOYSA-N 1 0 228.723 2.456 10 0 BEAERO C[C@]1(C2CCCCC2)[NH2+]CCc2nc[nH]c21 ZINC000221392562 538561227 /nfs/dbraw/zinc/56/12/27/538561227.db2.gz IPIBEYISCKQWHX-CYBMUJFWSA-N 1 0 219.332 2.351 10 0 BEAERO CC(C)(C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000085902590 538547466 /nfs/dbraw/zinc/54/74/66/538547466.db2.gz QSVRCVJHAVUQID-QMMMGPOBSA-N 1 0 248.120 2.060 10 0 BEAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(Cl)cs1 ZINC000086335021 538553845 /nfs/dbraw/zinc/55/38/45/538553845.db2.gz PXHOGNBZCPHOGQ-YLWLKBPMSA-N 1 0 205.710 2.030 10 0 BEAERO C[C@@H](C(=O)c1cccs1)[C@H]1CCC[NH2+]1 ZINC000086499580 538556046 /nfs/dbraw/zinc/55/60/46/538556046.db2.gz ZQSXXJIARFBZQA-RKDXNWHRSA-N 1 0 209.314 2.319 10 0 BEAERO Cc1ccsc1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000086499635 538556288 /nfs/dbraw/zinc/55/62/88/538556288.db2.gz YQOLSNBBUULCOA-VIFPVBQESA-N 1 0 209.314 2.381 10 0 BEAERO C[C@H](C(=O)c1ccco1)[C@H]1CCCC[NH2+]1 ZINC000086499759 538556312 /nfs/dbraw/zinc/55/63/12/538556312.db2.gz SSSIYZOYLJIUGV-VHSXEESVSA-N 1 0 207.273 2.241 10 0 BEAERO C[C@@H]1Oc2c(c(F)ccc2Br)[C@H]1[NH3+] ZINC000160407643 356705972 /nfs/dbraw/zinc/70/59/72/356705972.db2.gz YUBQFJXFSKVORU-NVNXEXLPSA-N 1 0 246.079 2.369 10 0 BEAERO Fc1cccc([C@@H]2C[C@H](F)C[NH2+]2)c1F ZINC000675082623 538523520 /nfs/dbraw/zinc/52/35/20/538523520.db2.gz QJGSIERRBPZAFW-RCOVLWMOSA-N 1 0 201.191 2.337 10 0 BEAERO C[C@H](C[NH3+])[C@@H](O)c1sccc1Cl ZINC000087723036 538569286 /nfs/dbraw/zinc/56/92/86/538569286.db2.gz HOUQGLFQWYXLRK-IYSWYEEDSA-N 1 0 205.710 2.030 10 0 BEAERO CCOC(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC000129602588 538577676 /nfs/dbraw/zinc/57/76/76/538577676.db2.gz BOFAEJGIGHBPFL-LLVKDONJSA-N 1 0 213.321 2.095 10 0 BEAERO C[C@H]1CCC[C@H](CC(=O)c2cncs2)[NH2+]1 ZINC000130391908 538589743 /nfs/dbraw/zinc/58/97/43/538589743.db2.gz BFFOEBGGWYLZAB-DTWKUNHWSA-N 1 0 224.329 2.247 10 0 BEAERO [NH3+]CC[C@H]1C(=O)Nc2c1c(Cl)ccc2Cl ZINC000096879612 538617226 /nfs/dbraw/zinc/61/72/26/538617226.db2.gz CHGUWPVEBBDYEP-RXMQYKEDSA-N 1 0 245.109 2.378 10 0 BEAERO C/C=C\C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000384795680 356751953 /nfs/dbraw/zinc/75/19/53/356751953.db2.gz WQNQTHRFPMVZNT-JYESYGNLSA-N 1 0 228.336 2.065 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020138204 356998343 /nfs/dbraw/zinc/99/83/43/356998343.db2.gz GYWSYNCOQYSNOT-NEPJUHHUSA-N 1 0 235.327 2.462 10 0 BEAERO Cc1cc(C(=O)[C@H](C)C2C[NH2+]C2)cs1 ZINC000129862232 356995880 /nfs/dbraw/zinc/99/58/80/356995880.db2.gz CULALGAHKRQQOS-MRVPVSSYSA-N 1 0 209.314 2.095 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000389716468 357018838 /nfs/dbraw/zinc/01/88/38/357018838.db2.gz OBEDAFRXRJZCMO-HRDYMLBCSA-N 1 0 225.254 2.078 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000053590851 357067433 /nfs/dbraw/zinc/06/74/33/357067433.db2.gz HUQVRJAMCDSPDP-OCCSQVGLSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)([NH3+])C(=O)Cc1cccc(F)c1Cl ZINC000168679495 357067451 /nfs/dbraw/zinc/06/74/51/357067451.db2.gz UGANMCKOQDQHOP-UHFFFAOYSA-N 1 0 229.682 2.328 10 0 BEAERO CCNC(=[NH2+])[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300024617 357172765 /nfs/dbraw/zinc/17/27/65/357172765.db2.gz GJVNEHWJKZAJDN-FXQIFTODSA-N 1 0 218.391 2.199 10 0 BEAERO CC[N@H+](Cc1ncccc1C(=O)OC)C(C)C ZINC000304166753 357158286 /nfs/dbraw/zinc/15/82/86/357158286.db2.gz JSIHDZANKAUCQT-UHFFFAOYSA-N 1 0 236.315 2.099 10 0 BEAERO C[NH2+][C@H](C)[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300030263 357173921 /nfs/dbraw/zinc/17/39/21/357173921.db2.gz QQPZWAMZZPFHDR-XGEHTFHBSA-N 1 0 205.392 2.220 10 0 BEAERO C[C@@H]1Oc2cc(Br)c(F)cc2[C@H]1[NH3+] ZINC000137656086 357224487 /nfs/dbraw/zinc/22/44/87/357224487.db2.gz HWDIASYDIKRVTK-IGJIYHIXSA-N 1 0 246.079 2.369 10 0 BEAERO Cc1ccsc1[C@@]1(O)CCC[NH2+]CC1 ZINC000160707561 357183264 /nfs/dbraw/zinc/18/32/64/357183264.db2.gz GIXUAEJRZNWTGA-LLVKDONJSA-N 1 0 211.330 2.018 10 0 BEAERO CC(C)SCC[NH2+]C[C@H](O)C(C)(C)C ZINC000393659337 357291573 /nfs/dbraw/zinc/29/15/73/357291573.db2.gz REHDCACMEYKJNA-JTQLQIEISA-N 1 0 219.394 2.125 10 0 BEAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000393195888 357278489 /nfs/dbraw/zinc/27/84/89/357278489.db2.gz ZVEDUNSQZBJNTH-FIQHERPVSA-N 1 0 211.349 2.172 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000393246447 357279384 /nfs/dbraw/zinc/27/93/84/357279384.db2.gz SJMBLZWSHNHCDT-AATLWQCWSA-N 1 0 237.265 2.078 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@]1(C)C(C)C ZINC000397266834 357509260 /nfs/dbraw/zinc/50/92/60/357509260.db2.gz BQOYUIWYBJKDDW-MCIONIFRSA-N 1 0 243.391 2.188 10 0 BEAERO Cc1cnccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000230709462 357572918 /nfs/dbraw/zinc/57/29/18/357572918.db2.gz CWZUFOHNLKJDDW-ZFWWWQNUSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000230395723 357534021 /nfs/dbraw/zinc/53/40/21/357534021.db2.gz PLJQADHHXOJCOZ-LBPRGKRZSA-N 1 0 221.348 2.360 10 0 BEAERO COC1CC([NH2+][C@H]2CCc3ccccc32)C1 ZINC000230673242 357548424 /nfs/dbraw/zinc/54/84/24/357548424.db2.gz LNBNJIKINVQBRI-YIZWMMSDSA-N 1 0 217.312 2.441 10 0 BEAERO C[C@@H]([NH3+])CCNC(=O)Nc1ccc(Cl)cc1 ZINC000063170769 357552032 /nfs/dbraw/zinc/55/20/32/357552032.db2.gz NXKQDBKAHWHXIG-MRVPVSSYSA-N 1 0 241.722 2.199 10 0 BEAERO C[C@H]([NH3+])CCNc1ccc2ccccc2n1 ZINC000063171792 357552715 /nfs/dbraw/zinc/55/27/15/357552715.db2.gz OEBBZUCIZDZBJR-JTQLQIEISA-N 1 0 215.300 2.384 10 0 BEAERO C[C@H]([NH3+])CCNc1ncccc1C(F)(F)F ZINC000063171628 357552847 /nfs/dbraw/zinc/55/28/47/357552847.db2.gz HUGMZXAFBLDIDI-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CC1CCC1 ZINC000085697055 357553715 /nfs/dbraw/zinc/55/37/15/357553715.db2.gz ASGNGTXMRFXJSZ-TZMCWYRMSA-N 1 0 222.376 2.345 10 0 BEAERO CC[C@H](C)CC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000188705408 357565909 /nfs/dbraw/zinc/56/59/09/357565909.db2.gz GIVIFJVZDPMCTR-QWHCGFSZSA-N 1 0 240.391 2.365 10 0 BEAERO CC[C@@H](C)CC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000188705386 357565939 /nfs/dbraw/zinc/56/59/39/357565939.db2.gz GIVIFJVZDPMCTR-CHWSQXEVSA-N 1 0 240.391 2.365 10 0 BEAERO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000189261711 357626613 /nfs/dbraw/zinc/62/66/13/357626613.db2.gz VGSSEFASXPLTQT-RWMBFGLXSA-N 1 0 240.391 2.268 10 0 BEAERO Cc1ccc(Cl)cc1NC1=[NH+]CCN1 ZINC000137584414 538878203 /nfs/dbraw/zinc/87/82/03/538878203.db2.gz LEIIKKPFFYYIKV-UHFFFAOYSA-N 1 0 209.680 2.020 10 0 BEAERO COCC[C@@](C)(O)C[NH2+]CC1CCC(C)CC1 ZINC000231329670 357612502 /nfs/dbraw/zinc/61/25/02/357612502.db2.gz CJNNEJNZXSAYBD-JXQTWKCFSA-N 1 0 243.391 2.190 10 0 BEAERO CC1(C(=O)C[C@@H]2[NH2+]C[C@@H]3CCC[C@H]32)CC1 ZINC000229135283 538881314 /nfs/dbraw/zinc/88/13/14/538881314.db2.gz FUJMDLMVIDFBHT-AXFHLTTASA-N 1 0 207.317 2.134 10 0 BEAERO COc1cc(N2CC[NH2+][C@@H](C)CC2)ccc1F ZINC000160521174 538885403 /nfs/dbraw/zinc/88/54/03/538885403.db2.gz REZXVJKXZBTNJH-JTQLQIEISA-N 1 0 238.306 2.023 10 0 BEAERO Cc1cccc([C@H](N)C(=O)OC(C)(C)C)c1 ZINC000685939415 538886527 /nfs/dbraw/zinc/88/65/27/538886527.db2.gz XFZIGNDYHHYZAQ-NSHDSACASA-N 1 0 221.300 2.337 10 0 BEAERO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[NH2+]2 ZINC000685945600 538886762 /nfs/dbraw/zinc/88/67/62/538886762.db2.gz WSMAXRYYFOMQSC-MFKMUULPSA-N 1 0 240.347 2.043 10 0 BEAERO CC[NH2+]CC[C@@H](N)c1ccccc1OCC ZINC000685946677 538886959 /nfs/dbraw/zinc/88/69/59/538886959.db2.gz DOMMBBIZWWUGGM-GFCCVEGCSA-N 1 0 222.332 2.085 10 0 BEAERO CCCC1(C[NH3+])CCC2(CC1)OCCO2 ZINC000685945976 538887507 /nfs/dbraw/zinc/88/75/07/538887507.db2.gz HWHLUWYNBMPTFE-UHFFFAOYSA-N 1 0 213.321 2.049 10 0 BEAERO CC(C)(C)OC(=O)[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685947289 538889243 /nfs/dbraw/zinc/88/92/43/538889243.db2.gz LMSXUNBNURUDIR-GWCFXTLKSA-N 1 0 225.332 2.250 10 0 BEAERO CCC[C@H](C)C(=O)N[C@]1(CC)CCC[NH2+]C1 ZINC000685947385 538889249 /nfs/dbraw/zinc/88/92/49/538889249.db2.gz MOLOUDPQESGDPL-WCQYABFASA-N 1 0 226.364 2.071 10 0 BEAERO [NH3+]C[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F ZINC000685948839 538891936 /nfs/dbraw/zinc/89/19/36/538891936.db2.gz DOGAVBYZCFOQQX-SCZZXKLOSA-N 1 0 231.217 2.127 10 0 BEAERO CC(C)([NH3+])c1ccc(NC(=O)C2CC2)cc1 ZINC000685948816 538892028 /nfs/dbraw/zinc/89/20/28/538892028.db2.gz GDSXOOLXAYPKCK-UHFFFAOYSA-N 1 0 218.300 2.229 10 0 BEAERO [NH3+][C@@H]1C[C@@]12CC=C(c1cccnc1)CC2 ZINC000685950632 538894129 /nfs/dbraw/zinc/89/41/29/538894129.db2.gz VDOBYMQAMCVSKD-OLZOCXBDSA-N 1 0 200.285 2.366 10 0 BEAERO Cc1nc([C@@H]2CCC[N@@H+]2CCCCO)cs1 ZINC000189831465 357673403 /nfs/dbraw/zinc/67/34/03/357673403.db2.gz IRINHZAHFZZHAA-LBPRGKRZSA-N 1 0 240.372 2.361 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCSC(C)(C)C1 ZINC000685951422 538895320 /nfs/dbraw/zinc/89/53/20/538895320.db2.gz UALCUEDQHWQAME-GDNZZTSVSA-N 1 0 242.432 2.058 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCSC(C)(C)C1 ZINC000685951423 538895558 /nfs/dbraw/zinc/89/55/58/538895558.db2.gz UALCUEDQHWQAME-GHMZBOCLSA-N 1 0 242.432 2.058 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1nccc2occc21 ZINC000232721843 357680756 /nfs/dbraw/zinc/68/07/56/357680756.db2.gz CZYKNFJFXMCZHK-SNVBAGLBSA-N 1 0 219.288 2.223 10 0 BEAERO CC1(C)C[C@@H]1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000232854151 357685585 /nfs/dbraw/zinc/68/55/85/357685585.db2.gz YEMXXULLEAECRR-GFCCVEGCSA-N 1 0 244.338 2.317 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]CCC=C(C)C ZINC000397783319 357691836 /nfs/dbraw/zinc/69/18/36/357691836.db2.gz PLFBKAHCRGYLKM-CYBMUJFWSA-N 1 0 229.364 2.110 10 0 BEAERO Cc1cccc([C@@H](C)[N@@H+]2CCCN(C)C(=O)C2)c1 ZINC000191074516 357747112 /nfs/dbraw/zinc/74/71/12/357747112.db2.gz AKYDPVYIKIZLPI-CYBMUJFWSA-N 1 0 246.354 2.220 10 0 BEAERO Cn1c(C[NH2+][C@@H]2CCCC2(C)C)nnc1C1CC1 ZINC000191303918 357765297 /nfs/dbraw/zinc/76/52/97/357765297.db2.gz VXNPTHJWTLBIMS-LLVKDONJSA-N 1 0 248.374 2.361 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@@H](Nc2ccccc2)C1 ZINC000191568415 357785852 /nfs/dbraw/zinc/78/58/52/357785852.db2.gz CSRLTBASIBZPKF-OAHLLOKOSA-N 1 0 247.386 2.171 10 0 BEAERO CC(C)=CC[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000236733962 535371160 /nfs/dbraw/zinc/37/11/60/535371160.db2.gz UTJIRWCNZGBVOL-ZDUSSCGKSA-N 1 0 246.358 2.001 10 0 BEAERO CC[NH+](CC)CCC1(C(=O)OC)CCCC1 ZINC000168921839 357994285 /nfs/dbraw/zinc/99/42/85/357994285.db2.gz RJEMVZTZZJOBDN-UHFFFAOYSA-N 1 0 227.348 2.452 10 0 BEAERO CS[C@@H](C)CNc1[nH+]c(C)ccc1N ZINC000169041488 358013794 /nfs/dbraw/zinc/01/37/94/358013794.db2.gz UMLCWOFQNHQHLM-QMMMGPOBSA-N 1 0 211.334 2.136 10 0 BEAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000220415624 358041426 /nfs/dbraw/zinc/04/14/26/358041426.db2.gz KKHBRNNEWWZVEH-GHMZBOCLSA-N 1 0 226.364 2.199 10 0 BEAERO CCCn1ccc(C[NH2+][C@@H](CC)CCO)c1 ZINC000217704393 134250443 /nfs/dbraw/zinc/25/04/43/134250443.db2.gz MNDCJVVXDQVRAV-ZDUSSCGKSA-N 1 0 224.348 2.149 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000037807172 358086546 /nfs/dbraw/zinc/08/65/46/358086546.db2.gz RJIDIYXASWHFPH-VHSXEESVSA-N 1 0 214.353 2.007 10 0 BEAERO O=C(CC1=CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170946071 134255937 /nfs/dbraw/zinc/25/59/37/134255937.db2.gz NNMWFCOMSIFQJM-CQSZACIVSA-N 1 0 248.370 2.184 10 0 BEAERO CCC(C)(C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171208204 134256010 /nfs/dbraw/zinc/25/60/10/134256010.db2.gz PXBIZWAKVDLQRT-UHFFFAOYSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1cc(NCCC[NH+]2CCCC2)ccc1N ZINC000038264151 358143741 /nfs/dbraw/zinc/14/37/41/358143741.db2.gz KTNYSUAONSJHFF-UHFFFAOYSA-N 1 0 233.359 2.475 10 0 BEAERO O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1Cc3ccccc31)C2 ZINC000640075791 358173176 /nfs/dbraw/zinc/17/31/76/358173176.db2.gz HXTHJZHXECKREC-UQOMUDLDSA-N 1 0 243.350 2.172 10 0 BEAERO C[Si](C)(C)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000171736000 134260466 /nfs/dbraw/zinc/26/04/66/134260466.db2.gz HQSYDKYABZMTIN-UHFFFAOYSA-N 1 0 237.423 2.467 10 0 BEAERO [NH3+]C[C@H]1CC[C@H]2CCOc3cccc1c32 ZINC000039018527 358217318 /nfs/dbraw/zinc/21/73/18/358217318.db2.gz YVEAYKIGLDSQMI-VHSXEESVSA-N 1 0 203.285 2.389 10 0 BEAERO CC(C)(O)C[NH2+]C[C@H]1CSc2ccccc21 ZINC000086104161 358231989 /nfs/dbraw/zinc/23/19/89/358231989.db2.gz QGDCVIWCQBADBH-JTQLQIEISA-N 1 0 237.368 2.236 10 0 BEAERO O[C@@H](c1ccccc1[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000584613490 358277384 /nfs/dbraw/zinc/27/73/84/358277384.db2.gz LWBDAKSOQHCXQH-KWQFWETISA-N 1 0 245.244 2.359 10 0 BEAERO CC[NH+](CC)C[C@H]1Oc2cccc(C)c2O1 ZINC000584614804 358279578 /nfs/dbraw/zinc/27/95/78/358279578.db2.gz KZOMWVFKBGRANZ-LBPRGKRZSA-N 1 0 221.300 2.434 10 0 BEAERO CCC[NH+]1CCC(c2ccc(C(N)=O)cc2)CC1 ZINC000584591928 358250204 /nfs/dbraw/zinc/25/02/04/358250204.db2.gz CIEUPEWYCYBJFG-UHFFFAOYSA-N 1 0 246.354 2.375 10 0 BEAERO COC[C@H]([NH3+])c1ccc(-n2cccc2)c(F)c1 ZINC000584595261 358252421 /nfs/dbraw/zinc/25/24/21/358252421.db2.gz XQNUUHIDADPUNK-LBPRGKRZSA-N 1 0 234.274 2.263 10 0 BEAERO C[NH+](C)[C@@]1(c2ccccc2)CC[C@@H](O)CC1 ZINC000584601420 358258947 /nfs/dbraw/zinc/25/89/47/358258947.db2.gz OMFAXTHGUKJURS-OKILXGFUSA-N 1 0 219.328 2.378 10 0 BEAERO OCC[NH2+]CC1(Cc2ccc(F)cc2)CCC1 ZINC000584602953 358261479 /nfs/dbraw/zinc/26/14/79/358261479.db2.gz GSSCOASPPVZERK-UHFFFAOYSA-N 1 0 237.318 2.120 10 0 BEAERO [NH3+]CC1(N2CCC(F)(F)CC2)CCCCC1 ZINC000584607527 358268031 /nfs/dbraw/zinc/26/80/31/358268031.db2.gz NLXVQRYWUXFGQN-UHFFFAOYSA-N 1 0 232.318 2.379 10 0 BEAERO C[C@H]([C@H](O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000584621043 358287951 /nfs/dbraw/zinc/28/79/51/358287951.db2.gz JYRDZJGDEGIFLW-MFKMUULPSA-N 1 0 223.291 2.343 10 0 BEAERO C[C@@H]([C@H](O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000584621041 358288175 /nfs/dbraw/zinc/28/81/75/358288175.db2.gz JYRDZJGDEGIFLW-GWCFXTLKSA-N 1 0 223.291 2.343 10 0 BEAERO C[C@@H]1c2ccccc2CC(C)(C)N1C(=[NH2+])NO ZINC000584621545 358289403 /nfs/dbraw/zinc/28/94/03/358289403.db2.gz AMBLZVYIGPAQBL-SECBINFHSA-N 1 0 233.315 2.298 10 0 BEAERO COCC[NH2+][C@@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000584625596 358294984 /nfs/dbraw/zinc/29/49/84/358294984.db2.gz SPMMAOBZCOERFP-LSDHHAIUSA-N 1 0 249.354 2.013 10 0 BEAERO Cc1nn(C)cc1-c1cc(F)c(C[NH3+])s1 ZINC000584630205 358299792 /nfs/dbraw/zinc/29/97/92/358299792.db2.gz OFZQDRIGTZDQIK-UHFFFAOYSA-N 1 0 225.292 2.055 10 0 BEAERO CC[NH+](CC)C[C@@H](O)c1cnc2ccccc2n1 ZINC000584630428 358300597 /nfs/dbraw/zinc/30/05/97/358300597.db2.gz XWHNXGATVHXQDL-CQSZACIVSA-N 1 0 245.326 2.005 10 0 BEAERO C[C@H](O)c1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1N2C ZINC000584650766 358301901 /nfs/dbraw/zinc/30/19/01/358301901.db2.gz MKSOESVDRVQKQV-LKTVYLICSA-N 1 0 246.354 2.109 10 0 BEAERO C[C@H]1Cn2ncc(-c3ccc(F)cc3)c2C[NH2+]1 ZINC000584648786 358303531 /nfs/dbraw/zinc/30/35/31/358303531.db2.gz RZTWDJYKEZQMHS-VIFPVBQESA-N 1 0 231.274 2.181 10 0 BEAERO CC[C@@]12CCCCN1[C@@H](C(C)(C)C)N(C)C2=O ZINC000584655410 358308426 /nfs/dbraw/zinc/30/84/26/358308426.db2.gz QHIIWJILUFBCJF-FZMZJTMJSA-N 1 0 238.375 2.465 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@H]1CC1(F)F ZINC000622016538 370664362 /nfs/dbraw/zinc/66/43/62/370664362.db2.gz JHLNUQPNRCBUAD-IUCAKERBSA-N 1 0 221.291 2.028 10 0 BEAERO CC[N@@H+]1CC[C@H]([C@H](O)c2ccccc2)C1 ZINC000584633993 358317611 /nfs/dbraw/zinc/31/76/11/358317611.db2.gz VWFIZHXBKQSZQF-QWHCGFSZSA-N 1 0 205.301 2.062 10 0 BEAERO Cc1nnc(C[NH2+][C@H](C)C2(C)CC2)s1 ZINC000134719374 325373401 /nfs/dbraw/zinc/37/34/01/325373401.db2.gz QWDVOCRGHWDJRO-SSDOTTSWSA-N 1 0 211.334 2.125 10 0 BEAERO CCSCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226238421 358336458 /nfs/dbraw/zinc/33/64/58/358336458.db2.gz KGLGDBWZLKQVIO-IJLUTSLNSA-N 1 0 231.405 2.411 10 0 BEAERO OCCCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000173400535 134274326 /nfs/dbraw/zinc/27/43/26/134274326.db2.gz UQFIWJCFNMIMTQ-ZDUSSCGKSA-N 1 0 237.347 2.099 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C(F)(F)F)nn1 ZINC000228269506 358372216 /nfs/dbraw/zinc/37/22/16/358372216.db2.gz YQDDNLWIDFMVOF-RQJHMYQMSA-N 1 0 248.252 2.033 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1cnc2ccccc2n1 ZINC000228271102 358372464 /nfs/dbraw/zinc/37/24/64/358372464.db2.gz MMCKYWFXFHPRAZ-ZJUUUORDSA-N 1 0 230.315 2.168 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncnc2ccccc21 ZINC000228267036 358372476 /nfs/dbraw/zinc/37/24/76/358372476.db2.gz KBNNRVPSCJQGDZ-ZJUUUORDSA-N 1 0 230.315 2.168 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H](C)C(C)C ZINC000227893238 358365532 /nfs/dbraw/zinc/36/55/32/358365532.db2.gz FSLPSSFZOCWQBZ-OLZOCXBDSA-N 1 0 231.380 2.046 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CCC)C(C)C ZINC000227905465 358365981 /nfs/dbraw/zinc/36/59/81/358365981.db2.gz GYSVPLCFKAGAAZ-CYBMUJFWSA-N 1 0 231.380 2.284 10 0 BEAERO COc1ccc(C[C@@H](C)[NH3+])c(Cl)c1OC ZINC000044411329 358407808 /nfs/dbraw/zinc/40/78/08/358407808.db2.gz YSMNSFWMHNMAHB-SSDOTTSWSA-N 1 0 229.707 2.247 10 0 BEAERO COc1ccc(Br)c(C[C@H](C)[NH3+])c1 ZINC000044460631 358386896 /nfs/dbraw/zinc/38/68/96/358386896.db2.gz PECBGVMVGVPGTF-ZETCQYMHSA-N 1 0 244.132 2.347 10 0 BEAERO CC(C)[NH2+]CCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044678838 358392516 /nfs/dbraw/zinc/39/25/16/358392516.db2.gz UTOCXAJMUNVSCW-ZIAGYGMSSA-N 1 0 246.354 2.047 10 0 BEAERO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000389345613 358421188 /nfs/dbraw/zinc/42/11/88/358421188.db2.gz UJLWNMJACLXTDC-WOPDTQHZSA-N 1 0 213.365 2.419 10 0 BEAERO O=C1CCCCC[C@@H]1C[NH+]1CCSCC1 ZINC000053926074 358581059 /nfs/dbraw/zinc/58/10/59/358581059.db2.gz DDWQTNZDMLAQHR-LLVKDONJSA-N 1 0 227.373 2.185 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403317216 358568701 /nfs/dbraw/zinc/56/87/01/358568701.db2.gz FVJMJYNUYKNEGB-MELADBBJSA-N 1 0 243.354 2.489 10 0 BEAERO C[C@@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCOC1 ZINC000129958431 358602885 /nfs/dbraw/zinc/60/28/85/358602885.db2.gz ODWRBBXSNPSLHQ-CHWSQXEVSA-N 1 0 241.375 2.350 10 0 BEAERO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CO)ccc1F ZINC000212707835 358620606 /nfs/dbraw/zinc/62/06/06/358620606.db2.gz UDOUJCMGVHDHNU-NXEZZACHSA-N 1 0 241.306 2.113 10 0 BEAERO CC(C)c1nc2c(n1C)CC[N@H+](CCCF)C2 ZINC000130433043 358625547 /nfs/dbraw/zinc/62/55/47/358625547.db2.gz ULNPZQDMEUKNBI-UHFFFAOYSA-N 1 0 239.338 2.261 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000130457243 358626705 /nfs/dbraw/zinc/62/67/05/358626705.db2.gz RBMZQQWPQHKDCD-HBNTYKKESA-N 1 0 243.372 2.103 10 0 BEAERO CC[C@@H](COC)[NH2+][C@H](CO)c1sccc1C ZINC000130453891 358626777 /nfs/dbraw/zinc/62/67/77/358626777.db2.gz OYOMEPGBEVEQSV-WDEREUQCSA-N 1 0 243.372 2.105 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000131030494 358657851 /nfs/dbraw/zinc/65/78/51/358657851.db2.gz ONNXTAHFIVIHKE-ZJUUUORDSA-N 1 0 222.336 2.064 10 0 BEAERO O=C(Nc1cccc2c1C[NH2+]CC2)C1CCCC1 ZINC000131146449 358662693 /nfs/dbraw/zinc/66/26/93/358662693.db2.gz DZWBDSVMMRPKOS-UHFFFAOYSA-N 1 0 244.338 2.461 10 0 BEAERO C[C@H](CC1CCC1)[NH2+]Cc1ccnn1C ZINC000132360566 491135474 /nfs/dbraw/zinc/13/54/74/491135474.db2.gz UKOMFIXYVMIUDK-SNVBAGLBSA-N 1 0 207.321 2.088 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccsc1 ZINC000035719298 358686883 /nfs/dbraw/zinc/68/68/83/358686883.db2.gz IPPDDKBUZWGLRS-GXSJLCMTSA-N 1 0 240.372 2.080 10 0 BEAERO CC(F)(F)CCNc1cc[nH+]cc1N ZINC000306148340 358758944 /nfs/dbraw/zinc/75/89/44/358758944.db2.gz AZMMQEFOBWGPDH-UHFFFAOYSA-N 1 0 201.220 2.121 10 0 BEAERO CC[C@@H](C)C[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000133573053 358759508 /nfs/dbraw/zinc/75/95/08/358759508.db2.gz CDBFUOAUPHOMHO-MNOVXSKESA-N 1 0 236.363 2.311 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000133573267 358759600 /nfs/dbraw/zinc/75/96/00/358759600.db2.gz CDBFUOAUPHOMHO-QWRGUYRKSA-N 1 0 236.363 2.311 10 0 BEAERO CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)o1 ZINC000051721982 358760066 /nfs/dbraw/zinc/76/00/66/358760066.db2.gz COWNTULAOAGMEN-GXFFZTMASA-N 1 0 223.316 2.499 10 0 BEAERO C[N@H+](CCNCc1cccnc1)C1CCCCC1 ZINC000049918462 358706973 /nfs/dbraw/zinc/70/69/73/358706973.db2.gz QQCARVXHLZPDRA-UHFFFAOYSA-N 1 0 247.386 2.436 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(C)C1 ZINC000132518477 491136484 /nfs/dbraw/zinc/13/64/84/491136484.db2.gz OSXUCEAXSCLGOA-UPJWGTAASA-N 1 0 210.365 2.249 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C ZINC000175835861 134289453 /nfs/dbraw/zinc/28/94/53/134289453.db2.gz XAUPVQSSBDJAAR-STQMWFEESA-N 1 0 238.375 2.260 10 0 BEAERO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000133919875 358772353 /nfs/dbraw/zinc/77/23/53/358772353.db2.gz PJQZNSVOLXNIHG-MNOVXSKESA-N 1 0 248.305 2.157 10 0 BEAERO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)cc1 ZINC000050682891 358735133 /nfs/dbraw/zinc/73/51/33/358735133.db2.gz BOBKZGXFIZXHBY-KGLIPLIRSA-N 1 0 235.327 2.040 10 0 BEAERO CCn1cc[nH+]c1NCc1cccc2c1OCO2 ZINC000050614142 358735191 /nfs/dbraw/zinc/73/51/91/358735191.db2.gz RXUXJUGOEUZSGH-UHFFFAOYSA-N 1 0 245.282 2.244 10 0 BEAERO CC(C)[C@@H]([NH2+][C@H]1CCOC1)c1cccnc1 ZINC000134009984 358775409 /nfs/dbraw/zinc/77/54/09/358775409.db2.gz FFCZFQDSZXFOMA-QWHCGFSZSA-N 1 0 220.316 2.157 10 0 BEAERO COc1c(C[NH2+]CCC(C)(C)C)c(C)nn1C ZINC000134147552 358781866 /nfs/dbraw/zinc/78/18/66/358781866.db2.gz JZWZOZONWASSFC-UHFFFAOYSA-N 1 0 239.363 2.263 10 0 BEAERO CC(=O)CC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134232236 358783644 /nfs/dbraw/zinc/78/36/44/358783644.db2.gz AOCHWBIBLZWYAM-DOMZBBRYSA-N 1 0 247.338 2.290 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000134242621 358784241 /nfs/dbraw/zinc/78/42/41/358784241.db2.gz VFJULZNEUVWAFL-WCQYABFASA-N 1 0 235.327 2.271 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000134254077 358784508 /nfs/dbraw/zinc/78/45/08/358784508.db2.gz VFUDTDXCOJQDPB-RISCZKNCSA-N 1 0 249.358 2.265 10 0 BEAERO C[C@@H](CC[NH3+])Nc1ccc(C(F)(F)F)cn1 ZINC000134274120 358785922 /nfs/dbraw/zinc/78/59/22/358785922.db2.gz UIHRTFUUVTZMNP-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO Cc1nc(C[N@@H+]2CCC[C@@H]2CCCO)cs1 ZINC000052762767 358793251 /nfs/dbraw/zinc/79/32/51/358793251.db2.gz UXWLAOLHPVLMBQ-GFCCVEGCSA-N 1 0 240.372 2.188 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CCn1cccn1 ZINC000134637631 358799716 /nfs/dbraw/zinc/79/97/16/358799716.db2.gz HSRBXDVDEPONEJ-XQQFMLRXSA-N 1 0 221.348 2.440 10 0 BEAERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)C1CCCC1 ZINC000054080268 358850523 /nfs/dbraw/zinc/85/05/23/358850523.db2.gz IOYWEWSPYYJZTP-PKSQDBQZSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)CC[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000177100453 134297284 /nfs/dbraw/zinc/29/72/84/134297284.db2.gz HTLYCVISIKSQSL-ZDUSSCGKSA-N 1 0 221.348 2.394 10 0 BEAERO c1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)n[nH]1 ZINC000136732010 358885863 /nfs/dbraw/zinc/88/58/63/358885863.db2.gz SCAUICDZXNZOQZ-GFCCVEGCSA-N 1 0 249.358 2.381 10 0 BEAERO COc1ccc([C@@H]2C[C@H]2[NH3+])c(Br)c1 ZINC000306170398 358978833 /nfs/dbraw/zinc/97/88/33/358978833.db2.gz JUYKMCCGWPKCCZ-WCBMZHEXSA-N 1 0 242.116 2.272 10 0 BEAERO CCC1(C[NH+]2CCC3(CC2)OCCO3)CCC1 ZINC000306186745 359002621 /nfs/dbraw/zinc/00/26/21/359002621.db2.gz BLTSRQIENBCTOC-UHFFFAOYSA-N 1 0 239.359 2.406 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)no1 ZINC000246436105 359085873 /nfs/dbraw/zinc/08/58/73/359085873.db2.gz HHRKEIGDUJVGIE-OLZOCXBDSA-N 1 0 249.358 2.042 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000247129071 359196371 /nfs/dbraw/zinc/19/63/71/359196371.db2.gz QDGXPFUEQZJIPY-AXFHLTTASA-N 1 0 222.336 2.137 10 0 BEAERO CCC(C)(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247042319 359190235 /nfs/dbraw/zinc/19/02/35/359190235.db2.gz ICFHSGDYSTXLDW-NEPJUHHUSA-N 1 0 240.391 2.268 10 0 BEAERO CC[C@H]([NH2+]CCn1cc(C)cn1)[C@@H]1C[C@@H]1C ZINC000321993772 259482874 /nfs/dbraw/zinc/48/28/74/259482874.db2.gz FMDMPGPIDCMQBO-XQQFMLRXSA-N 1 0 221.348 2.216 10 0 BEAERO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1[C@H]1CCOC1=O ZINC000246560595 359146564 /nfs/dbraw/zinc/14/65/64/359146564.db2.gz UTNCXEZIOWVBIZ-XBFCOCLRSA-N 1 0 245.322 2.180 10 0 BEAERO C(=C/c1ccccc1)\CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246664831 359155693 /nfs/dbraw/zinc/15/56/93/359155693.db2.gz DZTMROKQUCQRHH-YCOJEUHLSA-N 1 0 242.366 2.480 10 0 BEAERO CSCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247122369 359195605 /nfs/dbraw/zinc/19/56/05/359195605.db2.gz YWHGKLPVQQPMAZ-VXGBXAGGSA-N 1 0 229.389 2.383 10 0 BEAERO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cn1 ZINC000247571301 359235557 /nfs/dbraw/zinc/23/55/57/359235557.db2.gz WSRVHQJUPLIXGZ-TZMCWYRMSA-N 1 0 231.343 2.318 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000248042514 359253643 /nfs/dbraw/zinc/25/36/43/359253643.db2.gz UDSRNGOPELWAJJ-KCQAQPDRSA-N 1 0 247.386 2.461 10 0 BEAERO C[NH2+][C@H]1CC[C@](C)(c2cc(C)ns2)C1 ZINC000306200657 359289606 /nfs/dbraw/zinc/28/96/06/359289606.db2.gz JTJXPXDUZCHGOM-ONGXEEELSA-N 1 0 210.346 2.481 10 0 BEAERO CCNC(=[NH2+])[C@H]1SCCS[C@@H]1CC ZINC000228187215 359360211 /nfs/dbraw/zinc/36/02/11/359360211.db2.gz GWSLYTKDHVQHPC-SFYZADRCSA-N 1 0 218.391 2.200 10 0 BEAERO CCC(CC)(CC)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000086643101 359321352 /nfs/dbraw/zinc/32/13/52/359321352.db2.gz ZKHCOCJKQAGMIP-GFCCVEGCSA-N 1 0 240.391 2.461 10 0 BEAERO CC(C)(CO)[C@@H]([NH3+])c1ccsc1Cl ZINC000306220329 359340164 /nfs/dbraw/zinc/34/01/64/359340164.db2.gz HTENTINAOLDQKT-ZETCQYMHSA-N 1 0 219.737 2.420 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000399512319 359341823 /nfs/dbraw/zinc/34/18/23/359341823.db2.gz LUJJCIBBFTXKJK-GHMZBOCLSA-N 1 0 228.380 2.254 10 0 BEAERO C[C@](F)(C[NH3+])c1cc(F)c(F)cc1F ZINC000306240906 359419823 /nfs/dbraw/zinc/41/98/23/359419823.db2.gz LRFPAKVXBZNXIM-VIFPVBQESA-N 1 0 207.170 2.247 10 0 BEAERO [NH3+]C[C@H]1CCO[C@H]1c1ccsc1Cl ZINC000306244358 359427585 /nfs/dbraw/zinc/42/75/85/359427585.db2.gz UHJFFNRWMSNFHS-HTRCEHHLSA-N 1 0 217.721 2.438 10 0 BEAERO COC(=O)C[C@@](C)([NH3+])c1ccccc1Cl ZINC000086851521 359553607 /nfs/dbraw/zinc/55/36/07/359553607.db2.gz QFWZURXLRVFLSG-LLVKDONJSA-N 1 0 227.691 2.077 10 0 BEAERO COc1c(C[NH2+]CC2=CCCCC2)c(C)nn1C ZINC000379581384 359554077 /nfs/dbraw/zinc/55/40/77/359554077.db2.gz LKEHFQVXELFJKE-UHFFFAOYSA-N 1 0 249.358 2.327 10 0 BEAERO C[C@H]1CSC2(C[C@H]3CC[C@@H](C2)S3)[NH2+]1 ZINC000403582013 359554716 /nfs/dbraw/zinc/55/47/16/359554716.db2.gz KTKGAVRWQJNNEL-IZJGZUANSA-N 1 0 215.387 2.466 10 0 BEAERO O=C(C1CCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000226245582 359692446 /nfs/dbraw/zinc/69/24/46/359692446.db2.gz NDAVAARKVSOHLQ-WOPDTQHZSA-N 1 0 207.317 2.276 10 0 BEAERO [NH3+]Cc1ncoc1-c1coc(Br)c1 ZINC000306422414 359862365 /nfs/dbraw/zinc/86/23/65/359862365.db2.gz ATAKFLSMKKZXMY-UHFFFAOYSA-N 1 0 243.060 2.156 10 0 BEAERO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000309124607 491145315 /nfs/dbraw/zinc/14/53/15/491145315.db2.gz PCBOONJFPMDQPN-YNEHKIRRSA-N 1 0 209.333 2.378 10 0 BEAERO O=C(CCN1CC[C@@H](F)C1)c1ccc(F)cc1 ZINC000451190000 202371681 /nfs/dbraw/zinc/37/16/81/202371681.db2.gz FWISIMLWCQXODV-GFCCVEGCSA-N 1 0 239.265 2.442 10 0 BEAERO O=C(CCN1CC[C@H](F)C1)c1ccc(F)cc1 ZINC000451190007 202371997 /nfs/dbraw/zinc/37/19/97/202371997.db2.gz FWISIMLWCQXODV-LBPRGKRZSA-N 1 0 239.265 2.442 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121680 359899362 /nfs/dbraw/zinc/89/93/62/359899362.db2.gz MNPZVGZUIRGBNB-NEPJUHHUSA-N 1 0 226.364 2.023 10 0 BEAERO CCCCCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122980 359900249 /nfs/dbraw/zinc/90/02/49/359900249.db2.gz DYNKXJTVNWDYGE-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@H](C1CCCC1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000226496167 363707281 /nfs/dbraw/zinc/70/72/81/363707281.db2.gz SCUOXWHJRIMWCV-WDEREUQCSA-N 1 0 209.333 2.476 10 0 BEAERO CCC1([NH2+]Cc2nnnn2C(C)C)CCCC1 ZINC000451272350 202391012 /nfs/dbraw/zinc/39/10/12/202391012.db2.gz FRWSJXSKLNBLGK-UHFFFAOYSA-N 1 0 237.351 2.066 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccncc1 ZINC000088077869 359936187 /nfs/dbraw/zinc/93/61/87/359936187.db2.gz ZELGFJWVYZUHOM-UKRRQHHQSA-N 1 0 245.370 2.140 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1csc(Br)c1 ZINC000306433178 359940367 /nfs/dbraw/zinc/94/03/67/359940367.db2.gz WANVCRUGJAWXAD-RITPCOANSA-N 1 0 218.119 2.325 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CCC1(F)CCC1 ZINC000578880919 366665668 /nfs/dbraw/zinc/66/56/68/366665668.db2.gz OJFVXGZJHKSDCX-JTQLQIEISA-N 1 0 217.328 2.265 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]([C@H]2CCCSC2)S1 ZINC000306448743 360015763 /nfs/dbraw/zinc/01/57/63/360015763.db2.gz JORGHSWCVDBLQS-HRDYMLBCSA-N 1 0 203.376 2.181 10 0 BEAERO CC1(C(=O)c2ccccc2)CC[NH2+]CC1 ZINC000169269295 360018532 /nfs/dbraw/zinc/01/85/32/360018532.db2.gz SIXLJOKYSYANPU-UHFFFAOYSA-N 1 0 203.285 2.259 10 0 BEAERO C[C@]1(C2CCC2)C[NH+]=C(N)N1Cc1ccccc1 ZINC000306446737 360020456 /nfs/dbraw/zinc/02/04/56/360020456.db2.gz VCNNIRXHHBAMHU-OAHLLOKOSA-N 1 0 243.354 2.376 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](c2ccc(F)cc2)CO1 ZINC000536956692 360007672 /nfs/dbraw/zinc/00/76/72/360007672.db2.gz AJEBGSWQZZEZRR-JQWIXIFHSA-N 1 0 209.264 2.047 10 0 BEAERO CCCC[N@H+](CCO)C[C@H]1Cc2ccccc2O1 ZINC000090876813 360092629 /nfs/dbraw/zinc/09/26/29/360092629.db2.gz SNLWKZSETDAIFZ-CQSZACIVSA-N 1 0 249.354 2.085 10 0 BEAERO CC(C)n1cncc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000090207728 360064647 /nfs/dbraw/zinc/06/46/47/360064647.db2.gz DIGGXQZONJBPNI-DGCLKSJQSA-N 1 0 237.347 2.121 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C(C)(C)C ZINC000090224337 360066900 /nfs/dbraw/zinc/06/69/00/360066900.db2.gz BCWFWXOBROBEFR-KOLCDFICSA-N 1 0 236.363 2.446 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000090226984 360066928 /nfs/dbraw/zinc/06/69/28/360066928.db2.gz YLHPKPCNJKBTNI-NWDGAFQWSA-N 1 0 236.363 2.446 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)C(C)C ZINC000090226990 360067228 /nfs/dbraw/zinc/06/72/28/360067228.db2.gz YLHPKPCNJKBTNI-NEPJUHHUSA-N 1 0 236.363 2.446 10 0 BEAERO CC[N@H+](C[C@@H]1Cc2ccccc2O1)CC(C)(C)O ZINC000092982175 360209166 /nfs/dbraw/zinc/20/91/66/360209166.db2.gz RFCBCNRLCGTMHC-ZDUSSCGKSA-N 1 0 249.354 2.083 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+]C[C@H](C)CC ZINC000093081600 360215121 /nfs/dbraw/zinc/21/51/21/360215121.db2.gz FHTFJOLUDPLPGR-GHMZBOCLSA-N 1 0 236.363 2.311 10 0 BEAERO COC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1 ZINC000306517389 360344243 /nfs/dbraw/zinc/34/42/43/360344243.db2.gz AGPBZMAHNYDWIY-NEPJUHHUSA-N 1 0 207.317 2.447 10 0 BEAERO c1ccc([C@@H]2C[C@@H]2N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000094449230 360308150 /nfs/dbraw/zinc/30/81/50/360308150.db2.gz KTGJQFLNFRYMSM-PMPSAXMXSA-N 1 0 242.366 2.323 10 0 BEAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094836880 360322525 /nfs/dbraw/zinc/32/25/25/360322525.db2.gz XBDYBAXCERHVSH-JTQLQIEISA-N 1 0 239.290 2.348 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccoc2C)C1 ZINC000309460671 491148667 /nfs/dbraw/zinc/14/86/67/491148667.db2.gz NVDUCKIMHIWKSY-MFKMUULPSA-N 1 0 222.332 2.018 10 0 BEAERO C[NH2+]C1(C(=O)c2cocc2C)CCCC1 ZINC000306522877 360365047 /nfs/dbraw/zinc/36/50/47/360365047.db2.gz QRCGBGPQGCKEKW-UHFFFAOYSA-N 1 0 207.273 2.303 10 0 BEAERO [NH3+]C1(c2ncc(Br)cc2F)CCC1 ZINC000306538830 360400874 /nfs/dbraw/zinc/40/08/74/360400874.db2.gz UABJISWTHFSTCH-UHFFFAOYSA-N 1 0 245.095 2.321 10 0 BEAERO C[C@@H]([NH3+])c1cncn1[C@H](C)C(C)(F)F ZINC000306521581 360359364 /nfs/dbraw/zinc/35/93/64/360359364.db2.gz NHVYLSSMWSVWLY-RNFRBKRXSA-N 1 0 203.236 2.119 10 0 BEAERO FC(F)C1CC([NH+]2CCSCC2)C1 ZINC000306567927 360448538 /nfs/dbraw/zinc/44/85/38/360448538.db2.gz IOYPDOCVZPGLDZ-UHFFFAOYSA-N 1 0 207.289 2.079 10 0 BEAERO NNc1[nH+]c(NCCF)c(Cl)cc1Cl ZINC000306541953 360412524 /nfs/dbraw/zinc/41/25/24/360412524.db2.gz QBFWFLAAOQCHJM-UHFFFAOYSA-N 1 0 239.081 2.055 10 0 BEAERO Brc1ccc(C[C@H]2CC[NH2+]C2)o1 ZINC000306555346 360428938 /nfs/dbraw/zinc/42/89/38/360428938.db2.gz BWHNEPRCXPHKER-SSDOTTSWSA-N 1 0 230.105 2.194 10 0 BEAERO C[C@@](F)([C@H]1CCC[NH2+]1)C(F)(F)Br ZINC000306581831 360479742 /nfs/dbraw/zinc/47/97/42/360479742.db2.gz QAUALVBSSUOKIV-PHDIDXHHSA-N 1 0 246.070 2.454 10 0 BEAERO CCn1cc[nH+]c1N[C@H]1CSC[C@H]1C ZINC000306582242 360480768 /nfs/dbraw/zinc/48/07/68/360480768.db2.gz PAQOJZBHWIGBSW-BDAKNGLRSA-N 1 0 211.334 2.066 10 0 BEAERO CC(C)c1nc(C(F)(F)F)c(C[NH3+])o1 ZINC000306586058 360485802 /nfs/dbraw/zinc/48/58/02/360485802.db2.gz QZZQAUVHVNVVJR-UHFFFAOYSA-N 1 0 208.183 2.276 10 0 BEAERO CC1(C)[C@@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000300752523 360454902 /nfs/dbraw/zinc/45/49/02/360454902.db2.gz HWTHNTORMDIGNT-SFYZADRCSA-N 1 0 230.105 2.493 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1ccc(Br)o1 ZINC000300752522 360454938 /nfs/dbraw/zinc/45/49/38/360454938.db2.gz HWTHNTORMDIGNT-JGVFFNPUSA-N 1 0 230.105 2.493 10 0 BEAERO C[C@H]1CC[C@](F)(c2ccns2)C[NH2+]1 ZINC000306597769 360520148 /nfs/dbraw/zinc/52/01/48/360520148.db2.gz ZVDIBQYJFKGFTN-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO C[C@H]1C[NH+]=C(Nc2ccsc2Cl)N1 ZINC000306593321 360513551 /nfs/dbraw/zinc/51/35/51/360513551.db2.gz ABMAMXYXFKOZMY-YFKPBYRVSA-N 1 0 215.709 2.161 10 0 BEAERO [NH3+]Cc1csc(Cc2cccnc2)c1 ZINC000306595556 360516630 /nfs/dbraw/zinc/51/66/30/360516630.db2.gz YAERFBPTQNLDSH-UHFFFAOYSA-N 1 0 204.298 2.193 10 0 BEAERO CCN(C[C@H](C)C[NH3+])C(=O)Oc1ccccc1 ZINC000042442035 169890506 /nfs/dbraw/zinc/89/05/06/169890506.db2.gz TZMCOHIASXEYGM-LLVKDONJSA-N 1 0 236.315 2.102 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CCCC(C)(C)C1 ZINC000069793357 360555880 /nfs/dbraw/zinc/55/58/80/360555880.db2.gz MJYAXGCFMBXUDK-SECBINFHSA-N 1 0 214.378 2.173 10 0 BEAERO C[C@@H](C[N@@H+]1CCCC(C)(C)C1)C(N)=S ZINC000069793326 360556649 /nfs/dbraw/zinc/55/66/49/360556649.db2.gz AWJNQDQSPLPYLM-VIFPVBQESA-N 1 0 214.378 2.031 10 0 BEAERO NC(=O)c1cccc(C[NH2+]CCC2CCCC2)c1 ZINC000037741303 181303086 /nfs/dbraw/zinc/30/30/86/181303086.db2.gz WHEBYOFKUPQMLS-UHFFFAOYSA-N 1 0 246.354 2.455 10 0 BEAERO CC(C)([NH3+])c1cc(Br)ccc1N ZINC000238147534 360625750 /nfs/dbraw/zinc/62/57/50/360625750.db2.gz UGYNKSGVDXWXNU-UHFFFAOYSA-N 1 0 229.121 2.225 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CCSCC1 ZINC000309550559 491151190 /nfs/dbraw/zinc/15/11/90/491151190.db2.gz ICOZMMQAQGYLKL-CYZMBNFOSA-N 1 0 243.416 2.411 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000138509645 360779496 /nfs/dbraw/zinc/77/94/96/360779496.db2.gz GZVVTNVCITWMJU-LLVKDONJSA-N 1 0 203.285 2.259 10 0 BEAERO COc1cc(C[NH3+])cc(OC(F)(F)F)c1 ZINC000238403685 360996563 /nfs/dbraw/zinc/99/65/63/360996563.db2.gz DEYMBBMBOPTCKS-UHFFFAOYSA-N 1 0 221.178 2.053 10 0 BEAERO C[C@@H]1C[N@H+]([C@@H]2CCCCC2=O)C[C@H](C)S1 ZINC000069908926 361015232 /nfs/dbraw/zinc/01/52/32/361015232.db2.gz ADQRJWPNYLXASP-OUAUKWLOSA-N 1 0 227.373 2.324 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc(C)ccn2)C1 ZINC000309668622 491154277 /nfs/dbraw/zinc/15/42/77/491154277.db2.gz VEPFCSGTWUEDRY-VXGBXAGGSA-N 1 0 219.332 2.142 10 0 BEAERO Clc1ccc(C[C@@H]2CCC[NH2+]C2)nc1 ZINC000238566478 361153359 /nfs/dbraw/zinc/15/33/59/361153359.db2.gz FRWQIHOGWLSMBZ-VIFPVBQESA-N 1 0 210.708 2.277 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])c1cc(Cl)cnc1N ZINC000069943636 361177584 /nfs/dbraw/zinc/17/75/84/361177584.db2.gz PHVAJJONPAGZFQ-MUWHJKNJSA-N 1 0 213.712 2.363 10 0 BEAERO CCC[C@H]([NH3+])c1nc2c(s1)COCC2 ZINC000041059340 361220036 /nfs/dbraw/zinc/22/00/36/361220036.db2.gz HRXOCWNQAWKYAZ-ZETCQYMHSA-N 1 0 212.318 2.016 10 0 BEAERO CSC[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162559064 361355635 /nfs/dbraw/zinc/35/56/35/361355635.db2.gz FAPPWHRMHOTKCJ-MMWGEVLESA-N 1 0 229.389 2.141 10 0 BEAERO CCC[C@H](C)[NH2+]Cc1cnc2ccnn2c1 ZINC000381398005 361390069 /nfs/dbraw/zinc/39/00/69/361390069.db2.gz QDOPEGCPIMBHNU-JTQLQIEISA-N 1 0 218.304 2.008 10 0 BEAERO CC[C@@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000181120877 366786690 /nfs/dbraw/zinc/78/66/90/366786690.db2.gz PHAVYXKNFSOAQN-SNVBAGLBSA-N 1 0 207.321 2.388 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000309913220 491158153 /nfs/dbraw/zinc/15/81/53/491158153.db2.gz NXXIDJDSAFVEEF-WPRPVWTQSA-N 1 0 238.356 2.288 10 0 BEAERO [NH3+]C1(c2csc(C(F)(F)F)n2)CCC1 ZINC000083306816 181334665 /nfs/dbraw/zinc/33/46/65/181334665.db2.gz KOLQLPXXYPOIDM-UHFFFAOYSA-N 1 0 222.235 2.500 10 0 BEAERO [NH2+]=C1N[C@@H](c2ccco2)Nc2ccccc21 ZINC000013493535 181338980 /nfs/dbraw/zinc/33/89/80/181338980.db2.gz RIOVUWRMOKFDQS-LBPRGKRZSA-N 1 0 213.240 2.109 10 0 BEAERO [NH3+]C1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000037623133 181340313 /nfs/dbraw/zinc/34/03/13/181340313.db2.gz VIPPEWBXSXIGBB-UHFFFAOYSA-N 1 0 236.290 2.282 10 0 BEAERO CNC(=[NH2+])c1cc(Br)cs1 ZINC000070599551 361583226 /nfs/dbraw/zinc/58/32/26/361583226.db2.gz PTJXHOZTGVIVTJ-UHFFFAOYSA-N 1 0 219.107 2.055 10 0 BEAERO CCN1C[C@H]([NH2+][C@H](C)CC2CCC2)[C@@H](C)C1 ZINC000309975088 491159188 /nfs/dbraw/zinc/15/91/88/491159188.db2.gz SCYQNWHKTVGTAA-SCRDCRAPSA-N 1 0 224.392 2.495 10 0 BEAERO C[C@@H](Sc1ncccc1Cl)C(N)=[NH2+] ZINC000070615022 361629241 /nfs/dbraw/zinc/62/92/41/361629241.db2.gz IAYNFZJBLHHBGW-RXMQYKEDSA-N 1 0 215.709 2.152 10 0 BEAERO Cc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005611 361639333 /nfs/dbraw/zinc/63/93/33/361639333.db2.gz NCIKWIPYQYJBEG-UHFFFAOYSA-N 1 0 201.273 2.008 10 0 BEAERO [NH3+]C1CCC([S@](=O)c2cccs2)CC1 ZINC000055144838 181342735 /nfs/dbraw/zinc/34/27/35/181342735.db2.gz QCORWFNTZQDYRR-OAQUUNCKSA-N 1 0 229.370 2.126 10 0 BEAERO CC[C@@H]([NH2+]Cc1nccn1C)C(C)(C)C ZINC000163912348 361654631 /nfs/dbraw/zinc/65/46/31/361654631.db2.gz WQTHHNIKDOXAJA-SNVBAGLBSA-N 1 0 209.337 2.334 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000310021877 491160226 /nfs/dbraw/zinc/16/02/26/491160226.db2.gz NTXPQLQFAVZSGM-IVZWLZJFSA-N 1 0 239.281 2.468 10 0 BEAERO CC1(C)CCC(=O)[C@H](C[NH+]2CCCC2)C1 ZINC000070655041 361697346 /nfs/dbraw/zinc/69/73/46/361697346.db2.gz QJVUQHINKPGSPB-NSHDSACASA-N 1 0 209.333 2.478 10 0 BEAERO [NH3+]C1CCN(c2cc(F)c(F)c(F)c2)CC1 ZINC000061118305 181345335 /nfs/dbraw/zinc/34/53/35/181345335.db2.gz LNWKZXFXTBNSDT-UHFFFAOYSA-N 1 0 230.233 2.031 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@H]2c1cncs1 ZINC000306644816 541313914 /nfs/dbraw/zinc/31/39/14/541313914.db2.gz FOPDGXOYYBKUSS-JTQLQIEISA-N 1 0 222.338 2.440 10 0 BEAERO [NH3+]CC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000037004548 181353132 /nfs/dbraw/zinc/35/31/32/181353132.db2.gz NMJCVIIYUFQKRJ-GFCCVEGCSA-N 1 0 238.356 2.054 10 0 BEAERO CO[C@@H]1C[N@H+](CCCC(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000630363200 364082125 /nfs/dbraw/zinc/08/21/25/364082125.db2.gz CHUBXTDQCCWCRN-JSGCOSHPSA-N 1 0 242.407 2.251 10 0 BEAERO CO[C@@H]1C[N@H+](CC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630362193 364082297 /nfs/dbraw/zinc/08/22/97/364082297.db2.gz OILDAAOGDVYHMR-KBPBESRZSA-N 1 0 240.391 2.005 10 0 BEAERO CO[C@H]1C[N@H+](CCCC(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000630363206 364082339 /nfs/dbraw/zinc/08/23/39/364082339.db2.gz CHUBXTDQCCWCRN-TZMCWYRMSA-N 1 0 242.407 2.251 10 0 BEAERO [NH3+]C1([C@H]2CCCO2)CCC(F)(F)CC1 ZINC000725254973 541331979 /nfs/dbraw/zinc/33/19/79/541331979.db2.gz MBHRAEXZTXYGCT-MRVPVSSYSA-N 1 0 205.248 2.072 10 0 BEAERO [NH3+]CC(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000037004549 181355664 /nfs/dbraw/zinc/35/56/64/181355664.db2.gz NMJCVIIYUFQKRJ-LBPRGKRZSA-N 1 0 238.356 2.054 10 0 BEAERO C[C@@H](CO)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273535 541340417 /nfs/dbraw/zinc/34/04/17/541340417.db2.gz JSYSNIAGNLYPHC-DCBWTQNWSA-N 1 0 241.375 2.085 10 0 BEAERO CC(C)CC[NH2+]CC1(n2cccn2)CC1 ZINC000725269768 541339270 /nfs/dbraw/zinc/33/92/70/541339270.db2.gz QHQSHZQEUOZXRF-UHFFFAOYSA-N 1 0 207.321 2.008 10 0 BEAERO Cc1cc(C(C)C)nc(N2CCC(C)([NH3+])CC2)n1 ZINC000630514160 364198863 /nfs/dbraw/zinc/19/88/63/364198863.db2.gz SDKKLJIUDFNUNR-UHFFFAOYSA-N 1 0 248.374 2.226 10 0 BEAERO CCc1csc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630532595 364222356 /nfs/dbraw/zinc/22/23/56/364222356.db2.gz JXJBYCYQVFVIEV-SCZZXKLOSA-N 1 0 225.361 2.258 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2cnc3ccccc3n2)C[NH2+]1 ZINC000630532117 364219873 /nfs/dbraw/zinc/21/98/73/364219873.db2.gz FVDWJVLYODVFAM-GHMZBOCLSA-N 1 0 242.326 2.182 10 0 BEAERO CCc1csc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630532594 364221267 /nfs/dbraw/zinc/22/12/67/364221267.db2.gz JXJBYCYQVFVIEV-PSASIEDQSA-N 1 0 225.361 2.258 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630545159 364238676 /nfs/dbraw/zinc/23/86/76/364238676.db2.gz OYBFTKHWASQTGE-WDEREUQCSA-N 1 0 234.347 2.071 10 0 BEAERO CCc1nc(C)cc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630549021 364242498 /nfs/dbraw/zinc/24/24/98/364242498.db2.gz HBKGCLHPODMTQZ-GFCCVEGCSA-N 1 0 248.374 2.055 10 0 BEAERO C[C@H]1CC[C@H](Nc2ncnc3sccc32)C[NH2+]1 ZINC000630533734 364226301 /nfs/dbraw/zinc/22/63/01/364226301.db2.gz QKRRGWNCGRWXNL-IUCAKERBSA-N 1 0 248.355 2.244 10 0 BEAERO CCc1cc(CC)nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534331 364228787 /nfs/dbraw/zinc/22/87/87/364228787.db2.gz WFCPEPQNIYESCA-ZWNOBZJWSA-N 1 0 248.374 2.154 10 0 BEAERO C[C@H]1CC[C@H](Nc2ncc(Cl)cc2F)C[NH2+]1 ZINC000630535005 364229582 /nfs/dbraw/zinc/22/95/82/364229582.db2.gz SDLMQHCDOLSTNJ-CBAPKCEASA-N 1 0 243.713 2.427 10 0 BEAERO [NH3+]CC1(OC[C@H]2CCCCO2)CCCCC1 ZINC000050490062 181361698 /nfs/dbraw/zinc/36/16/98/181361698.db2.gz PHTHAIMEXLXHQX-GFCCVEGCSA-N 1 0 227.348 2.234 10 0 BEAERO C[C@@H]1C[C@H](C)CN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000037623199 364339110 /nfs/dbraw/zinc/33/91/10/364339110.db2.gz UJCAKMOWBLJYJJ-MPEURRAXSA-N 1 0 238.375 2.008 10 0 BEAERO Cc1ccc(NC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000630582463 364284113 /nfs/dbraw/zinc/28/41/13/364284113.db2.gz SUYGSFVVJICIOE-NEPJUHHUSA-N 1 0 247.342 2.054 10 0 BEAERO Cc1ccc(NC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000630582466 364284131 /nfs/dbraw/zinc/28/41/31/364284131.db2.gz SUYGSFVVJICIOE-RYUDHWBXSA-N 1 0 247.342 2.054 10 0 BEAERO C[C@@H]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000037655115 364436009 /nfs/dbraw/zinc/43/60/09/364436009.db2.gz NGHNMWJZHQMPQT-IKWCTNDRSA-N 1 0 238.375 2.199 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+][C@H]1CCCSC1 ZINC000134804733 364414370 /nfs/dbraw/zinc/41/43/70/364414370.db2.gz YEVMKMRHNNRAJC-NEPJUHHUSA-N 1 0 230.421 2.202 10 0 BEAERO Cc1ccc([C@@H](O)CC[NH3+])cc1Br ZINC000130702606 364666504 /nfs/dbraw/zinc/66/65/04/364666504.db2.gz MTUMPUMRNUZDFQ-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO Cc1cnccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000573315823 364795814 /nfs/dbraw/zinc/79/58/14/364795814.db2.gz UFSJMHGCLUUNEL-CQSZACIVSA-N 1 0 234.343 2.127 10 0 BEAERO C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000328289884 364823209 /nfs/dbraw/zinc/82/32/09/364823209.db2.gz RDNOYZWYXHLUGS-ITGHMWBKSA-N 1 0 223.360 2.316 10 0 BEAERO [NH3+]CCCCCC(=O)Nc1cccc2n[nH]cc21 ZINC000037769545 181373824 /nfs/dbraw/zinc/37/38/24/181373824.db2.gz URBBJQVUWKLSRT-UHFFFAOYSA-N 1 0 246.314 2.021 10 0 BEAERO [NH3+]CCCCCc1nc(-c2cccs2)n[nH]1 ZINC000054700203 181374850 /nfs/dbraw/zinc/37/48/50/181374850.db2.gz YRVLMGPYAGFQOS-UHFFFAOYSA-N 1 0 236.344 2.205 10 0 BEAERO CC1(C)CC=C([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675053889 541433405 /nfs/dbraw/zinc/43/34/05/541433405.db2.gz QUGQWPYASZDBQW-SNVBAGLBSA-N 1 0 237.265 2.375 10 0 BEAERO [NH3+]CCCNc1c(F)c(F)c(F)c(F)c1F ZINC000019423735 181383157 /nfs/dbraw/zinc/38/31/57/181383157.db2.gz ZQHNYNXDIIGDKV-UHFFFAOYSA-N 1 0 240.175 2.143 10 0 BEAERO [NH3+]CCCSc1ccc(F)c(F)c1 ZINC000037114435 181384699 /nfs/dbraw/zinc/38/46/99/181384699.db2.gz QTYMKDJIKWOUDR-UHFFFAOYSA-N 1 0 203.257 2.406 10 0 BEAERO [NH3+]CCCc1ccc(Br)s1 ZINC000035321569 181386443 /nfs/dbraw/zinc/38/64/43/181386443.db2.gz VUXSLUUDLUQYTJ-UHFFFAOYSA-N 1 0 220.135 2.402 10 0 BEAERO [NH3+]CCCc1ncc(-c2cccc(F)c2)o1 ZINC000075845825 181387236 /nfs/dbraw/zinc/38/72/36/181387236.db2.gz LIDNKZSAYYGBIQ-UHFFFAOYSA-N 1 0 220.247 2.372 10 0 BEAERO [NH3+]CCCc1ncc(-c2ccc(F)cc2)o1 ZINC000011587033 181387403 /nfs/dbraw/zinc/38/74/03/181387403.db2.gz DBOBDHSACVUWND-UHFFFAOYSA-N 1 0 220.247 2.372 10 0 BEAERO [NH3+]CCCc1nc2c(s1)CCCCC2 ZINC000011886871 181387696 /nfs/dbraw/zinc/38/76/96/181387696.db2.gz LNHGRFXBOAHPTF-UHFFFAOYSA-N 1 0 210.346 2.303 10 0 BEAERO [NH3+]CCN(Cc1cccnc1)CC1CCCCC1 ZINC000076633100 181390051 /nfs/dbraw/zinc/39/00/51/181390051.db2.gz ZEPGHUVMXGXYIU-UHFFFAOYSA-N 1 0 247.386 2.423 10 0 BEAERO [NH3+]CCN(Cc1ccco1)Cc1ccccc1 ZINC000032015934 181390815 /nfs/dbraw/zinc/39/08/15/181390815.db2.gz CPVSWJBROWOVCT-UHFFFAOYSA-N 1 0 230.311 2.241 10 0 BEAERO [NH3+]CCN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000062620186 181397362 /nfs/dbraw/zinc/39/73/62/181397362.db2.gz FPTNMCSDBAYRPG-LLVKDONJSA-N 1 0 240.734 2.102 10 0 BEAERO [NH3+]CCNc1ncc(Cl)c2ccccc21 ZINC000019721366 181398535 /nfs/dbraw/zinc/39/85/35/181398535.db2.gz AGPGQCMZMHFMID-UHFFFAOYSA-N 1 0 221.691 2.259 10 0 BEAERO [NH3+]CCOc1ccnc2cc(Cl)ccc21 ZINC000051870100 181399913 /nfs/dbraw/zinc/39/99/13/181399913.db2.gz FPHJUXXWGSASBP-UHFFFAOYSA-N 1 0 222.675 2.226 10 0 BEAERO CC(C)C(C)(C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000575052249 365178985 /nfs/dbraw/zinc/17/89/85/365178985.db2.gz DYOUQYSIYDKZSN-QWRGUYRKSA-N 1 0 226.364 2.055 10 0 BEAERO [NH3+]CCc1ccn(CCc2cccs2)c1 ZINC000071522696 181412529 /nfs/dbraw/zinc/41/25/29/181412529.db2.gz KZZYTUPLNZOTNP-UHFFFAOYSA-N 1 0 220.341 2.294 10 0 BEAERO [NH3+]CCc1csc([C@@H]2CC=CCC2)n1 ZINC000083345580 181413333 /nfs/dbraw/zinc/41/33/33/181413333.db2.gz KRDHBYRAIYGWQF-SECBINFHSA-N 1 0 208.330 2.468 10 0 BEAERO [NH3+]CCc1nnc(C2CCCCC2)s1 ZINC000057496588 181414554 /nfs/dbraw/zinc/41/45/54/181414554.db2.gz XGOVYQBSAVBELI-UHFFFAOYSA-N 1 0 211.334 2.087 10 0 BEAERO [NH3+]C[C@@H](Oc1ccc(CO)cc1)c1ccccc1 ZINC000042900187 181423464 /nfs/dbraw/zinc/42/34/64/181423464.db2.gz XLCBPTJEZPMMIK-OAHLLOKOSA-N 1 0 243.306 2.258 10 0 BEAERO [NH3+]C[C@@H](c1cccc(F)c1)n1cc(Cl)cn1 ZINC000042973218 181424894 /nfs/dbraw/zinc/42/48/94/181424894.db2.gz OFGCVQXAQDZCOX-NSHDSACASA-N 1 0 239.681 2.224 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)C(C)C ZINC000171970436 365264308 /nfs/dbraw/zinc/26/43/08/365264308.db2.gz SHXFAEGXQJMJAW-CHWSQXEVSA-N 1 0 242.407 2.371 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1cc(F)cc(F)c1 ZINC000094827798 325786001 /nfs/dbraw/zinc/78/60/01/325786001.db2.gz MDCNNKFHZLNXPH-BVDKZHGWSA-N 1 0 241.281 2.386 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CCCOC1CCCC1 ZINC000564652364 325801097 /nfs/dbraw/zinc/80/10/97/325801097.db2.gz ZJKLROPXBAOLGX-ZDUSSCGKSA-N 1 0 243.391 2.332 10 0 BEAERO CC(C)n1ccnc1C1CCC([NH3+])CC1 ZINC000675060411 541463443 /nfs/dbraw/zinc/46/34/43/541463443.db2.gz GKKLQDBIJLOCAE-UHFFFAOYSA-N 1 0 207.321 2.449 10 0 BEAERO COCC[NH2+]Cc1ccc(C(F)(F)F)o1 ZINC000675063100 541464659 /nfs/dbraw/zinc/46/46/59/541464659.db2.gz ZEZURDACXLLUFE-UHFFFAOYSA-N 1 0 223.194 2.034 10 0 BEAERO Clc1ccc([C@@]23CC[C@@H]2CC[NH2+]3)cn1 ZINC000685947549 541496856 /nfs/dbraw/zinc/49/68/56/541496856.db2.gz PCGIOTZOWNWJCE-LDYMZIIASA-N 1 0 208.692 2.334 10 0 BEAERO CC[C@H](C[NH3+])[C@H](O)c1occc1Br ZINC000234043108 541511521 /nfs/dbraw/zinc/51/15/21/541511521.db2.gz MZSBZFYAKGUHEP-SVRRBLITSA-N 1 0 248.120 2.060 10 0 BEAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C(C)C)n1C ZINC000183054698 366970719 /nfs/dbraw/zinc/97/07/19/366970719.db2.gz OUPKIYNUZZPZLC-GHMZBOCLSA-N 1 0 238.379 2.463 10 0 BEAERO CC[NH2+]C[C@@H]1CCCc2ccccc2N1 ZINC000196838925 541514265 /nfs/dbraw/zinc/51/42/65/541514265.db2.gz VWYDZUSWPWNLQO-LBPRGKRZSA-N 1 0 204.317 2.413 10 0 BEAERO C[C@H](c1nccs1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380701166 367282170 /nfs/dbraw/zinc/28/21/70/367282170.db2.gz KWNUUKQKMXDYJG-CKYFFXLPSA-N 1 0 239.388 2.121 10 0 BEAERO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000380584161 367246339 /nfs/dbraw/zinc/24/63/39/367246339.db2.gz ZAMNTUIRYVOUAU-NWDGAFQWSA-N 1 0 238.375 2.023 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC000381315550 367379848 /nfs/dbraw/zinc/37/98/48/367379848.db2.gz UZRCNCQHYQJITL-GFCCVEGCSA-N 1 0 224.373 2.240 10 0 BEAERO CC1(C)CCC[C@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000381984208 367475629 /nfs/dbraw/zinc/47/56/29/367475629.db2.gz GCLXPLDBQLBZNE-SDDRHHMPSA-N 1 0 211.349 2.173 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000382257319 367501735 /nfs/dbraw/zinc/50/17/35/367501735.db2.gz WLBALPCFNUYWIR-FDYHWXHSSA-N 1 0 211.349 2.293 10 0 BEAERO CCc1cc(CC)nc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382433787 367522889 /nfs/dbraw/zinc/52/28/89/367522889.db2.gz SZQHHXMMYRAWPR-MFKMUULPSA-N 1 0 248.374 2.141 10 0 BEAERO CCCC1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000384251076 367680401 /nfs/dbraw/zinc/68/04/01/367680401.db2.gz MGIQREKRLSREIL-NEPJUHHUSA-N 1 0 238.375 2.071 10 0 BEAERO CCC1(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000384267144 367680694 /nfs/dbraw/zinc/68/06/94/367680694.db2.gz QQXNKRWNYBJEEZ-NWDGAFQWSA-N 1 0 238.375 2.071 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000035235847 181431784 /nfs/dbraw/zinc/43/17/84/181431784.db2.gz HCOLBPYBRCPCQX-STQMWFEESA-N 1 0 205.301 2.331 10 0 BEAERO C[C@H](CO)S[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000252746248 367906129 /nfs/dbraw/zinc/90/61/29/367906129.db2.gz BFKJIOJDRGYTRZ-OPRDCNLKSA-N 1 0 217.378 2.006 10 0 BEAERO C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000386100818 367912813 /nfs/dbraw/zinc/91/28/13/367912813.db2.gz HZJCAZICQYFWFF-GRYCIOLGSA-N 1 0 240.391 2.173 10 0 BEAERO [NH3+]CCn1cc(-c2ccc(OC3CC3)cc2)cn1 ZINC000386213418 367932419 /nfs/dbraw/zinc/93/24/19/367932419.db2.gz YAUYFRKDGDIWQV-UHFFFAOYSA-N 1 0 243.310 2.050 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)Cc1ccccc1 ZINC000075926692 367979237 /nfs/dbraw/zinc/97/92/37/367979237.db2.gz YASZJQILMBBZMV-HZPDHXFCSA-N 1 0 241.334 2.160 10 0 BEAERO Cc1cnc(NC[C@@H]([NH3+])c2ccccc2)nc1C ZINC000386639623 368005106 /nfs/dbraw/zinc/00/51/06/368005106.db2.gz IHTBAMVLYHEZJP-CYBMUJFWSA-N 1 0 242.326 2.205 10 0 BEAERO Cc1cnc(N[C@H]2CCCC[C@@H]2C[NH3+])nc1C ZINC000386633848 368005274 /nfs/dbraw/zinc/00/52/74/368005274.db2.gz GZHPQQIYXLAWEV-NEPJUHHUSA-N 1 0 234.347 2.023 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1cncc(Br)c1 ZINC000252909772 368164180 /nfs/dbraw/zinc/16/41/80/368164180.db2.gz BAGDBWIIXQNOLM-JUWDTYFHSA-N 1 0 241.132 2.295 10 0 BEAERO Cc1cc(C(C)C)nc(N2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000253038634 368318542 /nfs/dbraw/zinc/31/85/42/368318542.db2.gz ZFFYPSWPFXVEBB-VXGBXAGGSA-N 1 0 248.374 2.082 10 0 BEAERO Cc1cc(C(C)C)nc(N2C[C@H](C)[NH2+]C[C@H]2C)n1 ZINC000253030538 368304562 /nfs/dbraw/zinc/30/45/62/368304562.db2.gz RCPMUFIOIHECJY-NWDGAFQWSA-N 1 0 248.374 2.095 10 0 BEAERO [NH3+]CCc1cccc(-c2ccccc2CO)c1 ZINC000005764235 368371030 /nfs/dbraw/zinc/37/10/30/368371030.db2.gz GLCRTRWJVUEZFH-UHFFFAOYSA-N 1 0 227.307 2.347 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCc2c(N)c(N)ccc2C1 ZINC000038589776 368327562 /nfs/dbraw/zinc/32/75/62/368327562.db2.gz KDCMMXLCHAPMRL-SNVBAGLBSA-N 1 0 233.359 2.255 10 0 BEAERO C[C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000147523276 368351109 /nfs/dbraw/zinc/35/11/09/368351109.db2.gz BYDOZJQQICNGSG-XBFCOCLRSA-N 1 0 216.328 2.041 10 0 BEAERO CCCC[NH2+][C@@H](Cc1ccccc1)NC(C)=O ZINC000048564395 368379627 /nfs/dbraw/zinc/37/96/27/368379627.db2.gz LQYLBYHPYXOACN-CQSZACIVSA-N 1 0 234.343 2.081 10 0 BEAERO C[C@@H]1[C@H]([NH3+])[C@@H](C)[C@H](C)CN1Cc1ccccc1 ZINC000101417828 368384200 /nfs/dbraw/zinc/38/42/00/368384200.db2.gz MCYADVOUXKSBRH-QVHKTLOISA-N 1 0 232.371 2.490 10 0 BEAERO C[C@H]1CC[N@@H+](C2CCC(=O)CC2)C[C@H]1C ZINC000253137791 368542982 /nfs/dbraw/zinc/54/29/82/368542982.db2.gz UPOIARXMVDAKNS-WDEREUQCSA-N 1 0 209.333 2.476 10 0 BEAERO [NH3+]Cc1cccc(-n2cnc3ccccc32)c1 ZINC000069328088 370916669 /nfs/dbraw/zinc/91/66/69/370916669.db2.gz GCDJZWOVZACKAK-UHFFFAOYSA-N 1 0 223.279 2.484 10 0 BEAERO CC(C)[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000088837202 368930513 /nfs/dbraw/zinc/93/05/13/368930513.db2.gz LBYAMEQRWTXPGM-OLZOCXBDSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](CC(N)=S)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225159462 369018528 /nfs/dbraw/zinc/01/85/28/369018528.db2.gz OQKNWTJPVYQZOS-KXUCPTDWSA-N 1 0 214.378 2.029 10 0 BEAERO C[NH2+][C@H](c1ccccc1)[C@@H]1CCC[C@@H]1O ZINC000006179268 369032014 /nfs/dbraw/zinc/03/20/14/369032014.db2.gz MADZUUMZBFVKIY-FRRDWIJNSA-N 1 0 205.301 2.108 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](COC2CCCCCC2)O1 ZINC000052671389 181466182 /nfs/dbraw/zinc/46/61/82/181466182.db2.gz KWCKCYMYTCINME-OLZOCXBDSA-N 1 0 227.348 2.232 10 0 BEAERO [NH3+]C[C@H](c1ccccc1)c1ccc(O)cc1 ZINC000107154037 369310516 /nfs/dbraw/zinc/31/05/16/369310516.db2.gz BVTRCLFFUHZQMM-CQSZACIVSA-N 1 0 213.280 2.483 10 0 BEAERO [NH3+]Cc1ccc(OCc2ccco2)cc1 ZINC000019865519 181485554 /nfs/dbraw/zinc/48/55/54/181485554.db2.gz UTISKXDLQWHPHA-UHFFFAOYSA-N 1 0 203.241 2.317 10 0 BEAERO [NH3+]Cc1ccc(OCCc2ccccn2)cc1 ZINC000020352298 181485823 /nfs/dbraw/zinc/48/58/23/181485823.db2.gz LKEMDPRGFBOIJB-UHFFFAOYSA-N 1 0 228.295 2.162 10 0 BEAERO [NH3+]Cc1cccnc1N1CCCCCCC1 ZINC000020264925 181490781 /nfs/dbraw/zinc/49/07/81/181490781.db2.gz HIEYXGGJJQOBBC-UHFFFAOYSA-N 1 0 219.332 2.311 10 0 BEAERO [NH3+]Cc1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC000059637518 181486918 /nfs/dbraw/zinc/48/69/18/181486918.db2.gz GPVUUKQSRJTLIV-ZDUSSCGKSA-N 1 0 231.299 2.194 10 0 BEAERO [NH3+]Cc1ccnc(N(CC(F)(F)F)C2CC2)c1 ZINC000042736259 181490951 /nfs/dbraw/zinc/49/09/51/181490951.db2.gz SKLPPDCIJUBRGP-UHFFFAOYSA-N 1 0 245.248 2.071 10 0 BEAERO C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1cncs1 ZINC000166240130 203387554 /nfs/dbraw/zinc/38/75/54/203387554.db2.gz QGVPQRAZSVNXIF-ONGXEEELSA-N 1 0 239.388 2.134 10 0 BEAERO [NH3+]Cc1ccnc(-c2ccc3ncccc3c2)n1 ZINC000062802625 181490476 /nfs/dbraw/zinc/49/04/76/181490476.db2.gz CSSJXCFAKMRNKB-UHFFFAOYSA-N 1 0 236.278 2.151 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C[C@H]1CO ZINC000621374288 370316386 /nfs/dbraw/zinc/31/63/86/370316386.db2.gz YBRQDAYFFTZGBH-SNPRPXQTSA-N 1 0 245.366 2.277 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C2([NH3+])CC2)C1 ZINC000215248630 370260794 /nfs/dbraw/zinc/26/07/94/370260794.db2.gz SMQPBHLLBRPKKH-SNVBAGLBSA-N 1 0 240.347 2.125 10 0 BEAERO CC[C@@H]1CS[C@H](c2cncs2)N1 ZINC000161614422 370605794 /nfs/dbraw/zinc/60/57/94/370605794.db2.gz VQOAMOSKTXZFTK-HTRCEHHLSA-N 1 0 200.332 2.257 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000623870784 371134593 /nfs/dbraw/zinc/13/45/93/371134593.db2.gz MUGLNCRXRODEAN-HZSPNIEDSA-N 1 0 240.391 2.018 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000623870787 371134733 /nfs/dbraw/zinc/13/47/33/371134733.db2.gz MUGLNCRXRODEAN-RDBSUJKOSA-N 1 0 240.391 2.018 10 0 BEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000048627555 181553377 /nfs/dbraw/zinc/55/33/77/181553377.db2.gz LHUVBMGTBYPDMM-JQWIXIFHSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H](Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000052944860 181555569 /nfs/dbraw/zinc/55/55/69/181555569.db2.gz WCLUJRYYWMVNFG-PWSUYJOCSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H](Cn1cccn1)c1ccc(Cl)s1 ZINC000077341998 181560001 /nfs/dbraw/zinc/56/00/01/181560001.db2.gz XLKKVQHABRHFEE-ZETCQYMHSA-N 1 0 227.720 2.298 10 0 BEAERO [NH3+][C@@H](c1c(F)cc(F)cc1F)[C@@H]1CCCO1 ZINC000019971738 181561681 /nfs/dbraw/zinc/56/16/81/181561681.db2.gz YVAJKORIHYVIOU-GXSJLCMTSA-N 1 0 231.217 2.283 10 0 BEAERO [NH3+][C@@H](c1ccc(F)c(F)c1)C1CCOCC1 ZINC000061671405 181563393 /nfs/dbraw/zinc/56/33/93/181563393.db2.gz JTUKSARZYHCJDV-GFCCVEGCSA-N 1 0 227.254 2.391 10 0 BEAERO [NH3+][C@@H]1CC(=O)c2cc(Br)ccc21 ZINC000057953135 181572224 /nfs/dbraw/zinc/57/22/24/181572224.db2.gz GJSLWXGTMFHIII-MRVPVSSYSA-N 1 0 226.073 2.035 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631063952 371241123 /nfs/dbraw/zinc/24/11/23/371241123.db2.gz PDGPHGRMHKYNBW-XCBNKYQSSA-N 1 0 241.132 2.342 10 0 BEAERO [NH3+][C@@H]1CCCc2c1cnn2-c1ccccc1 ZINC000072415608 181585450 /nfs/dbraw/zinc/58/54/50/181585450.db2.gz KMCIRCGUHOQEFJ-GFCCVEGCSA-N 1 0 213.284 2.208 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)ccn1 ZINC000391215879 371279506 /nfs/dbraw/zinc/27/95/06/371279506.db2.gz SNBBFVYFNZPFPF-ZIAGYGMSSA-N 1 0 234.343 2.031 10 0 BEAERO [NH3+][C@H](Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000048627489 181623615 /nfs/dbraw/zinc/62/36/15/181623615.db2.gz QPVDRRGTXKCDKF-PRHODGIISA-N 1 0 243.709 2.385 10 0 BEAERO [NH3+][C@H](Cc1ccsc1)[C@H]1CCCOC1 ZINC000062236895 181627806 /nfs/dbraw/zinc/62/78/06/181627806.db2.gz OJXUXOFCGSELQJ-WDEREUQCSA-N 1 0 211.330 2.045 10 0 BEAERO [NH3+][C@H](Cn1cccn1)C12CC3CC(CC(C3)C1)C2 ZINC000023070529 181628124 /nfs/dbraw/zinc/62/81/24/181628124.db2.gz MFGQCTGVUOAJSN-WRHSUISWSA-N 1 0 245.370 2.427 10 0 BEAERO [NH3+][C@H](Cc1nccs1)c1ccccc1 ZINC000036278944 181628208 /nfs/dbraw/zinc/62/82/08/181628208.db2.gz AJBGRGBJBVJWMD-SNVBAGLBSA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000070012817 181603106 /nfs/dbraw/zinc/60/31/06/181603106.db2.gz HWWBHTWGTFSJNX-GFCCVEGCSA-N 1 0 225.719 2.390 10 0 BEAERO [NH3+][C@H](C(=O)NCC1CCCCC1)c1ccccc1 ZINC000037259854 181604580 /nfs/dbraw/zinc/60/45/80/181604580.db2.gz QLSJXSHGJBNYBQ-AWEZNQCLSA-N 1 0 246.354 2.383 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1c1nc(-c2ccco2)no1 ZINC000105863243 181642185 /nfs/dbraw/zinc/64/21/85/181642185.db2.gz YVKQFKIXYZSDKI-BDAKNGLRSA-N 1 0 233.271 2.315 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1Nc1ncnc2sccc21 ZINC000038050650 181642301 /nfs/dbraw/zinc/64/23/01/181642301.db2.gz YBVOTWQIQNTQMI-VHSXEESVSA-N 1 0 248.355 2.373 10 0 BEAERO Nc1c([C@H]2CCCC[NH2+]2)cc2n1CCCC2 ZINC000100442570 181671193 /nfs/dbraw/zinc/67/11/93/181671193.db2.gz DCCCOOSVCKYUCR-GFCCVEGCSA-N 1 0 219.332 2.221 10 0 BEAERO [NH3+][C@H]1C[C@H](c2ccccc2)Cc2n[nH]cc21 ZINC000072415334 181659289 /nfs/dbraw/zinc/65/92/89/181659289.db2.gz HBEKLUMFPWQVDB-JQWIXIFHSA-N 1 0 213.284 2.140 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624239197 371428534 /nfs/dbraw/zinc/42/85/34/371428534.db2.gz GACYTEMONHSDPC-ZOBORPQBSA-N 1 0 241.375 2.085 10 0 BEAERO Nc1c[nH+]ccc1NCCc1ccccc1F ZINC000020382858 181770080 /nfs/dbraw/zinc/77/00/80/181770080.db2.gz RQUCULWDXDLCQF-UHFFFAOYSA-N 1 0 231.274 2.458 10 0 BEAERO Nc1c[nH+]ccc1NCc1ccccc1F ZINC000019755464 181770128 /nfs/dbraw/zinc/77/01/28/181770128.db2.gz CJCHNEOLJLCRGP-UHFFFAOYSA-N 1 0 217.247 2.415 10 0 BEAERO C[C@@H]1Oc2c(c(Br)ccc2F)[C@H]1[NH3+] ZINC000126647649 371541445 /nfs/dbraw/zinc/54/14/45/371541445.db2.gz QJQBPIKIGUJIRZ-NVNXEXLPSA-N 1 0 246.079 2.369 10 0 BEAERO F[C@H]([C@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225685536 371566258 /nfs/dbraw/zinc/56/62/58/371566258.db2.gz GHFPVZVJSIAQII-PHDIDXHHSA-N 1 0 246.070 2.454 10 0 BEAERO [NH3+]C1(Cc2ccc(Br)cn2)CCC1 ZINC000161825950 371569038 /nfs/dbraw/zinc/56/90/38/371569038.db2.gz FACQGSSNUWYIKQ-UHFFFAOYSA-N 1 0 241.132 2.268 10 0 BEAERO [NH3+][C@H](CCO)c1cccc(Cl)c1Cl ZINC000002530243 371573103 /nfs/dbraw/zinc/57/31/03/371573103.db2.gz NECIZMMSSYEYPS-MRVPVSSYSA-N 1 0 220.099 2.376 10 0 BEAERO [NH3+][C@H]1CC[C@@H]1Cc1ccc(Br)cn1 ZINC000161918679 371581891 /nfs/dbraw/zinc/58/18/91/371581891.db2.gz VXKUYMPVLBNKOH-XCBNKYQSSA-N 1 0 241.132 2.124 10 0 BEAERO CC[C@H]1C[NH+]=C(NC[C@H]2CCCS2)S1 ZINC000230009688 371632540 /nfs/dbraw/zinc/63/25/40/371632540.db2.gz QHHAPCWDQSYKOY-DTWKUNHWSA-N 1 0 230.402 2.353 10 0 BEAERO C1CSC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000131670857 371647280 /nfs/dbraw/zinc/64/72/80/371647280.db2.gz YTVNVZKEMMLDQO-NXEZZACHSA-N 1 0 217.403 2.367 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](C(=O)Cc2ccsc2)C1 ZINC000226336698 371648466 /nfs/dbraw/zinc/64/84/66/371648466.db2.gz FADAJPAMZNKJNS-WDEREUQCSA-N 1 0 223.341 2.377 10 0 BEAERO [NH3+][C@H](Cc1ccoc1)[C@H]1CCCCS1 ZINC000131730977 371662372 /nfs/dbraw/zinc/66/23/72/371662372.db2.gz QXWIEJJNJYJGEJ-GHMZBOCLSA-N 1 0 211.330 2.435 10 0 BEAERO [NH3+][C@@H]1C=C[C@H](C(=O)CC2CCCCC2)C1 ZINC000226564512 371698278 /nfs/dbraw/zinc/69/82/78/371698278.db2.gz LPJBDRMPOJXVKA-NWDGAFQWSA-N 1 0 207.317 2.429 10 0 BEAERO O=C(C1CC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000226581796 371702310 /nfs/dbraw/zinc/70/23/10/371702310.db2.gz YFWVFYFQPQFRLB-USWWRNFRSA-N 1 0 207.317 2.276 10 0 BEAERO C[C@@H]1C[C@]2(CS1)[NH2+]CC[C@@H](C)S2 ZINC000226587983 371702384 /nfs/dbraw/zinc/70/23/84/371702384.db2.gz MHVFYYARFOZKRK-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO Cc1nnc(S[C@H]2CCCC[NH2+]C2)s1 ZINC000132148546 371757756 /nfs/dbraw/zinc/75/77/56/371757756.db2.gz KMTSLXIIZUBDEH-QMMMGPOBSA-N 1 0 229.374 2.081 10 0 BEAERO CCc1cccc(C(=O)C2([NH3+])CCC2)c1 ZINC000226780005 371742950 /nfs/dbraw/zinc/74/29/50/371742950.db2.gz KNPZOIYRWIQSMD-UHFFFAOYSA-N 1 0 203.285 2.313 10 0 BEAERO [NH3+][C@@H](c1ccns1)C1CCSCC1 ZINC000401699364 371800484 /nfs/dbraw/zinc/80/04/84/371800484.db2.gz MHUAHMCWMZQFIQ-SECBINFHSA-N 1 0 214.359 2.286 10 0 BEAERO COc1cc(C[NH+](C)C)cc(Cl)c1O ZINC000132500507 371841206 /nfs/dbraw/zinc/84/12/06/371841206.db2.gz MLARRTKBBOKWEA-UHFFFAOYSA-N 1 0 215.680 2.116 10 0 BEAERO C[C@H]1CC[N@H+](C[C@@H](N)c2cccs2)C1 ZINC000227632496 371911219 /nfs/dbraw/zinc/91/12/19/371911219.db2.gz AUZZZZQRRPTWID-VHSXEESVSA-N 1 0 210.346 2.090 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000163018188 371911267 /nfs/dbraw/zinc/91/12/67/371911267.db2.gz OGDRHNSAJJVVHU-SNVBAGLBSA-N 1 0 245.681 2.432 10 0 BEAERO CN(C)[C@H](C[NH3+])c1sccc1Br ZINC000228001944 371972097 /nfs/dbraw/zinc/97/20/97/371972097.db2.gz QHZGKXIFIKTTCF-SSDOTTSWSA-N 1 0 249.177 2.072 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1sccc1Br ZINC000228015309 371976307 /nfs/dbraw/zinc/97/63/07/371976307.db2.gz SAHHZJLTORDJSN-UJURSFKZSA-N 1 0 218.119 2.325 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1sccc1Br ZINC000228026804 371978921 /nfs/dbraw/zinc/97/89/21/371978921.db2.gz PEEVPGYGXOFNEI-NKWVEPMBSA-N 1 0 248.145 2.299 10 0 BEAERO CC[C@H]([NH2+]C)[C@H]1SCCS[C@@H]1C ZINC000228115393 371993134 /nfs/dbraw/zinc/99/31/34/371993134.db2.gz MRBITFWSEBVRPB-VGMNWLOBSA-N 1 0 205.392 2.222 10 0 BEAERO CC[C@@H]1SCCS[C@H]1[C@@H]([NH3+])C1CC1 ZINC000228143481 371996990 /nfs/dbraw/zinc/99/69/90/371996990.db2.gz HXYQWHBNRUQDNQ-LPEHRKFASA-N 1 0 217.403 2.351 10 0 BEAERO C[C@H]([NH3+])[C@](C)(F)c1cc(F)ccc1F ZINC000306214719 371999819 /nfs/dbraw/zinc/99/98/19/371999819.db2.gz ZLHINMDBGWNWOQ-WKEGUHRASA-N 1 0 203.207 2.497 10 0 BEAERO c1sc2c(c1C[NH2+]C1CC1)CCOC2 ZINC000132911274 371947761 /nfs/dbraw/zinc/94/77/61/371947761.db2.gz MEKJZNRCUBJTOI-UHFFFAOYSA-N 1 0 209.314 2.073 10 0 BEAERO Cc1sccc1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000227879586 371950889 /nfs/dbraw/zinc/95/08/89/371950889.db2.gz PTMMIRHEHHRYKA-NSHDSACASA-N 1 0 209.314 2.367 10 0 BEAERO CC[C@@H]1C[C@@]1([NH3+])c1ccc(Br)cn1 ZINC000133350572 372027807 /nfs/dbraw/zinc/02/78/07/372027807.db2.gz YJKWBIDIDHFNNE-XCBNKYQSSA-N 1 0 241.132 2.428 10 0 BEAERO CCCNC(=[NH2+])c1ccc(Br)cn1 ZINC000133375141 372033896 /nfs/dbraw/zinc/03/38/96/372033896.db2.gz KKWSMOFEINVBHI-UHFFFAOYSA-N 1 0 242.120 2.169 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1ccc(SC)cc1 ZINC000003678303 372051517 /nfs/dbraw/zinc/05/15/17/372051517.db2.gz JDCKIJHPCOAUKZ-NSHDSACASA-N 1 0 239.340 2.362 10 0 BEAERO Cc1cc(F)c(Br)cc1NCC[NH3+] ZINC000306251470 372005046 /nfs/dbraw/zinc/00/50/46/372005046.db2.gz QWHPCEVWPCVJMY-UHFFFAOYSA-N 1 0 247.111 2.267 10 0 BEAERO [NH3+][C@@H](c1cscn1)[C@@H]1CCCS1 ZINC000306279259 372005841 /nfs/dbraw/zinc/00/58/41/372005841.db2.gz RSYYLUQEFBDRGP-YUMQZZPRSA-N 1 0 200.332 2.039 10 0 BEAERO CC(C)([NH3+])C(=O)c1ccc(Br)cc1 ZINC000058327416 372011311 /nfs/dbraw/zinc/01/13/11/372011311.db2.gz BJKXQPGQCMARQG-UHFFFAOYSA-N 1 0 242.116 2.369 10 0 BEAERO Cc1cc([C@@H](F)[C@H]2CCC[NH2+]2)sn1 ZINC000306346972 372012462 /nfs/dbraw/zinc/01/24/62/372012462.db2.gz BUKOBZFDIOFKGO-APPZFPTMSA-N 1 0 200.282 2.214 10 0 BEAERO CC[NH2+]C1(C(F)F)C[C@H](C)O[C@@H](C)C1 ZINC000133678362 372086436 /nfs/dbraw/zinc/08/64/36/372086436.db2.gz HNQLZEUJTBPVGI-YUMQZZPRSA-N 1 0 207.264 2.187 10 0 BEAERO Cc1csc(C[C@@H]2CCCC[NH2+]C2)n1 ZINC000134222331 372183037 /nfs/dbraw/zinc/18/30/37/372183037.db2.gz IWSCMRFRONDREH-JTQLQIEISA-N 1 0 210.346 2.384 10 0 BEAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000229452242 372152963 /nfs/dbraw/zinc/15/29/63/372152963.db2.gz SELCBMTWZPYEHH-WRWGMCAJSA-N 1 0 209.333 2.474 10 0 BEAERO C[C@H]1CN(Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000631838241 372631743 /nfs/dbraw/zinc/63/17/43/372631743.db2.gz KXVFGOCPKIAJHS-IUCAKERBSA-N 1 0 244.791 2.428 10 0 BEAERO C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631838648 372633718 /nfs/dbraw/zinc/63/37/18/372633718.db2.gz SIDFNTBIXUPLCG-BDAKNGLRSA-N 1 0 244.791 2.428 10 0 BEAERO O=C(COCC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000095072914 181997991 /nfs/dbraw/zinc/99/79/91/181997991.db2.gz WRQWNJXFIYAQRE-LLVKDONJSA-N 1 0 237.299 2.011 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000042164275 182018170 /nfs/dbraw/zinc/01/81/70/182018170.db2.gz BJQKZGFPJDPRHZ-NSHDSACASA-N 1 0 225.332 2.395 10 0 BEAERO CC[NH2+]Cc1cc2ccccc2n(CC)c1=O ZINC000039288557 372932602 /nfs/dbraw/zinc/93/26/02/372932602.db2.gz XQOSXDPUFAMGSX-UHFFFAOYSA-N 1 0 230.311 2.131 10 0 BEAERO O=C(Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000041243580 182041037 /nfs/dbraw/zinc/04/10/37/182041037.db2.gz YAPWXSJQTYJHDW-LLVKDONJSA-N 1 0 223.703 2.204 10 0 BEAERO C[C@@H]1[C@H]([NH3+])CCN1c1nccc2ccccc21 ZINC000379755839 373055958 /nfs/dbraw/zinc/05/59/58/373055958.db2.gz VGRFFBCHUZOWDQ-ZWNOBZJWSA-N 1 0 227.311 2.161 10 0 BEAERO CC[C@]1(C)CN(Cc2ccccc2)CC[NH2+]1 ZINC000068693092 373045794 /nfs/dbraw/zinc/04/57/94/373045794.db2.gz OREXJOCPLOMSLF-CQSZACIVSA-N 1 0 218.344 2.261 10 0 BEAERO C[C@H]([NH3+])c1ccc(-c2ccnn2C)cc1 ZINC000069466950 373287147 /nfs/dbraw/zinc/28/71/47/373287147.db2.gz UAOUOKOESUBURX-VIFPVBQESA-N 1 0 201.273 2.107 10 0 BEAERO C[C@H](C[NH3+])Nc1ccc(Br)cc1 ZINC000040541442 373461997 /nfs/dbraw/zinc/46/19/97/373461997.db2.gz MJXVVNCWYIJJTD-SSDOTTSWSA-N 1 0 229.121 2.208 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@H]1CCCN(C)C1 ZINC000040672766 373591140 /nfs/dbraw/zinc/59/11/40/373591140.db2.gz KDWDIQOJRKSLJC-AWEZNQCLSA-N 1 0 248.370 2.187 10 0 BEAERO Cc1csc(N[C@H]2CCCC[NH2+]C2)n1 ZINC000069684046 373592486 /nfs/dbraw/zinc/59/24/86/373592486.db2.gz UEFWREPGSPMVNT-VIFPVBQESA-N 1 0 211.334 2.006 10 0 BEAERO Cc1csc(N[C@@H]2CCCC[NH2+]C2)n1 ZINC000069684043 373593022 /nfs/dbraw/zinc/59/30/22/373593022.db2.gz UEFWREPGSPMVNT-SECBINFHSA-N 1 0 211.334 2.006 10 0 BEAERO Cc1ccsc1[C@@H]1C[NH2+]C(C)(C)CO1 ZINC000069636490 373564158 /nfs/dbraw/zinc/56/41/58/373564158.db2.gz QROCJKQLKQCHJU-VIFPVBQESA-N 1 0 211.330 2.496 10 0 BEAERO C[C@H]([NH3+])CCc1cc(F)c(F)cc1F ZINC000142505109 373569962 /nfs/dbraw/zinc/56/99/62/373569962.db2.gz BMRVBZWUTLIJEP-LURJTMIESA-N 1 0 203.207 2.384 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(C)=O)cc1 ZINC000040854135 373837587 /nfs/dbraw/zinc/83/75/87/373837587.db2.gz GPPCICGSVGYVCX-NOZJJQNGSA-N 1 0 248.326 2.201 10 0 BEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000019436516 182199166 /nfs/dbraw/zinc/19/91/66/182199166.db2.gz IKDKRDXNHWWHNF-ZDUSSCGKSA-N 1 0 238.375 2.215 10 0 BEAERO O=C(c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000041219092 374120341 /nfs/dbraw/zinc/12/03/41/374120341.db2.gz GDKUSMLBTLVDLG-JTQLQIEISA-N 1 0 209.676 2.275 10 0 BEAERO CCc1cc(Br)ccc1C[NH3+] ZINC000142850425 374106464 /nfs/dbraw/zinc/10/64/64/374106464.db2.gz PGFZRULGWHWYJT-UHFFFAOYSA-N 1 0 214.106 2.470 10 0 BEAERO C[C@@H]1[C@H]([NH3+])CCCN1C/C(Cl)=C\Cl ZINC000381628436 374136776 /nfs/dbraw/zinc/13/67/76/374136776.db2.gz UUWDCQSTRLVQHV-DAAJKXQRSA-N 1 0 223.147 2.117 10 0 BEAERO C[C@H]([NH3+])CCc1occc1Br ZINC000070636228 374168209 /nfs/dbraw/zinc/16/82/09/374168209.db2.gz GZIGWUCOIPMGMQ-LURJTMIESA-N 1 0 218.094 2.322 10 0 BEAERO [NH3+][C@H]1CCc2c(Br)cccc2C1 ZINC000143359397 374171116 /nfs/dbraw/zinc/17/11/16/374171116.db2.gz OADHVGRYEZJLPL-QMMMGPOBSA-N 1 0 226.117 2.265 10 0 BEAERO C[C@@H]([NH3+])c1csc([C@@H]2CCCOC2)n1 ZINC000070842466 374204608 /nfs/dbraw/zinc/20/46/08/374204608.db2.gz CXEWNTJOWDLQKO-HTQZYQBOSA-N 1 0 212.318 2.057 10 0 BEAERO O=C(Nc1cc(F)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000150966493 182350471 /nfs/dbraw/zinc/35/04/71/182350471.db2.gz RPPCMIIEILOJDD-ZETCQYMHSA-N 1 0 242.681 2.027 10 0 BEAERO O=C(Nc1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000035084248 182348203 /nfs/dbraw/zinc/34/82/03/182348203.db2.gz UVNKSEKIQSDTBH-VIFPVBQESA-N 1 0 242.681 2.170 10 0 BEAERO CCOC(=O)CC[NH2+][C@H](C)c1ccc(C)o1 ZINC000038097822 170210400 /nfs/dbraw/zinc/21/04/00/170210400.db2.gz YEHJTVMVRMINCB-SNVBAGLBSA-N 1 0 225.288 2.192 10 0 BEAERO O=C(c1c[nH]c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000082295547 182646665 /nfs/dbraw/zinc/64/66/65/182646665.db2.gz XCYPEGBJQRXBBK-CYBMUJFWSA-N 1 0 228.295 2.493 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@H](C)[C@@H](C)CC ZINC000193241683 168907124 /nfs/dbraw/zinc/90/71/24/168907124.db2.gz LSVNFLHKTBAHMA-YNEHKIRRSA-N 1 0 231.380 2.188 10 0 BEAERO CCOCCN(CCC[NH3+])c1cccc(C)c1 ZINC000035358870 170396903 /nfs/dbraw/zinc/39/69/03/170396903.db2.gz UTZSZAMNFBPSBF-UHFFFAOYSA-N 1 0 236.359 2.187 10 0 BEAERO CCCC[C@@H](C)NC(=O)[C@]1(CC)CCC[NH2+]C1 ZINC000062860802 168946591 /nfs/dbraw/zinc/94/65/91/168946591.db2.gz VYIJYHUYNGKXFP-TZMCWYRMSA-N 1 0 240.391 2.461 10 0 BEAERO OC1(C[N@@H+]2CCc3sccc3C2)CCC1 ZINC000336470967 183018927 /nfs/dbraw/zinc/01/89/27/183018927.db2.gz XOXFYRLUURWPAW-UHFFFAOYSA-N 1 0 223.341 2.021 10 0 BEAERO OC1(C[NH2+]CCc2ccco2)CCCCCC1 ZINC000038059448 183020396 /nfs/dbraw/zinc/02/03/96/183020396.db2.gz JQSCAUUYQKALQV-UHFFFAOYSA-N 1 0 237.343 2.497 10 0 BEAERO OC1(C[NH2+][C@H]2CCC[C@H]2CCF)CCC1 ZINC000336725341 183020703 /nfs/dbraw/zinc/02/07/03/183020703.db2.gz GHAQROSEVFEFPA-QWRGUYRKSA-N 1 0 215.312 2.019 10 0 BEAERO OC1CC(CC[NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000336696487 183025490 /nfs/dbraw/zinc/02/54/90/183025490.db2.gz ZQZOORQBBIEMIC-PYNQCMFNSA-N 1 0 229.339 2.265 10 0 BEAERO OCC1([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000120341716 183038879 /nfs/dbraw/zinc/03/88/79/183038879.db2.gz FWANMMNCAMUUEU-UHFFFAOYSA-N 1 0 217.268 2.047 10 0 BEAERO OCC1([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000119325472 183038902 /nfs/dbraw/zinc/03/89/02/183038902.db2.gz DISPFKBDTIGQGS-UHFFFAOYSA-N 1 0 229.682 2.094 10 0 BEAERO OCC1([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000120396865 183039021 /nfs/dbraw/zinc/03/90/21/183039021.db2.gz JPZNDSNOHHCIJX-UHFFFAOYSA-N 1 0 245.244 2.320 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCCCCF ZINC000336662669 183062429 /nfs/dbraw/zinc/06/24/29/183062429.db2.gz COUATEIMBUTRGN-LBPRGKRZSA-N 1 0 217.328 2.363 10 0 BEAERO CCCC[C@H](C)NC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055131075 168990150 /nfs/dbraw/zinc/99/01/50/168990150.db2.gz YYLUZHGHEBSNFE-MROQNXINSA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)(C)NC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145193 166623316 /nfs/dbraw/zinc/62/33/16/166623316.db2.gz USNCVVHONKDQOS-GHMZBOCLSA-N 1 0 226.364 2.056 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000219005818 183116890 /nfs/dbraw/zinc/11/68/90/183116890.db2.gz BWOUVFMMOUGGJL-JSGCOSHPSA-N 1 0 237.318 2.466 10 0 BEAERO OC[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000227475863 183117609 /nfs/dbraw/zinc/11/76/09/183117609.db2.gz LCDJWDVRMPBQOG-OCCSQVGLSA-N 1 0 231.339 2.031 10 0 BEAERO CCCC[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842914 169009166 /nfs/dbraw/zinc/00/91/66/169009166.db2.gz WWHKLTQENGXUSM-VIFPVBQESA-N 1 0 219.288 2.046 10 0 BEAERO CCCC[C@H]([NH3+])CN(CC)Cc1ccncc1 ZINC000042516922 169009303 /nfs/dbraw/zinc/00/93/03/169009303.db2.gz WYLLVACYVOZFEY-AWEZNQCLSA-N 1 0 235.375 2.421 10 0 BEAERO OCC[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000124330222 183099030 /nfs/dbraw/zinc/09/90/30/183099030.db2.gz AMNWUBQHHXOFFS-OCCSQVGLSA-N 1 0 231.339 2.031 10 0 BEAERO OCC[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000353702612 183099164 /nfs/dbraw/zinc/09/91/64/183099164.db2.gz JOSZEHOOJRIJEL-CHWSQXEVSA-N 1 0 209.333 2.047 10 0 BEAERO OC[C@@H](C[NH2+]Cc1ccccc1)C1CCC1 ZINC000252519082 183106725 /nfs/dbraw/zinc/10/67/25/183106725.db2.gz AWOGZSFUBQHNIB-CQSZACIVSA-N 1 0 219.328 2.185 10 0 BEAERO OC[C@@H]([NH2+]C1CC1)c1cc(Cl)ccc1F ZINC000083264878 183107162 /nfs/dbraw/zinc/10/71/62/183107162.db2.gz MPWKNXPQIKLCFK-LLVKDONJSA-N 1 0 229.682 2.265 10 0 BEAERO OC[C@@H]([NH2+]C1CC1)c1ccc(F)c(Cl)c1 ZINC000083264187 183108086 /nfs/dbraw/zinc/10/80/86/183108086.db2.gz MCEGQYMDLMYNNC-LLVKDONJSA-N 1 0 229.682 2.265 10 0 BEAERO CCCCc1ccc(N2CC[C@H]([NH2+]C)C2=O)cc1 ZINC000049648133 169021109 /nfs/dbraw/zinc/02/11/09/169021109.db2.gz FFWLTHSQOJRUAG-AWEZNQCLSA-N 1 0 246.354 2.354 10 0 BEAERO CCCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000055086979 169045227 /nfs/dbraw/zinc/04/52/27/169045227.db2.gz CXHOJJIJJFXRLS-NEPJUHHUSA-N 1 0 226.364 2.151 10 0 BEAERO OC[C@H]1CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000377244099 183146569 /nfs/dbraw/zinc/14/65/69/183146569.db2.gz WIRUSMLYEUAGDH-KGLIPLIRSA-N 1 0 223.360 2.437 10 0 BEAERO CCCCn1ccnc1C[NH2+]CC1CC1 ZINC000045205661 169036776 /nfs/dbraw/zinc/03/67/76/169036776.db2.gz OVSRLWHOFJSURZ-UHFFFAOYSA-N 1 0 207.321 2.183 10 0 BEAERO OC[C@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475002 183155977 /nfs/dbraw/zinc/15/59/77/183155977.db2.gz QQXBTMFNFFQODP-ZYHUDNBSSA-N 1 0 225.719 2.025 10 0 BEAERO CCCN(C(=O)[C@H]1CCC[C@H](C)[NH2+]1)C(C)C ZINC000037096442 169045836 /nfs/dbraw/zinc/04/58/36/169045836.db2.gz BQOWKQABNGKELA-NWDGAFQWSA-N 1 0 226.364 2.164 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)c1ccc(F)c(Cl)c1 ZINC000083263999 183177178 /nfs/dbraw/zinc/17/71/78/183177178.db2.gz RUXVTOUGWOJCDQ-NSHDSACASA-N 1 0 229.682 2.265 10 0 BEAERO CCCN(C(=O)[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000037096447 169046328 /nfs/dbraw/zinc/04/63/28/169046328.db2.gz JZOYUOMGKAMKTL-RYUDHWBXSA-N 1 0 226.364 2.022 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)c1ccccc1Cl ZINC000032012592 183177808 /nfs/dbraw/zinc/17/78/08/183177808.db2.gz XEMKDFCDKAMWLB-NSHDSACASA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000041292089 183185211 /nfs/dbraw/zinc/18/52/11/183185211.db2.gz XJRRCJRNGGFSCI-MNOVXSKESA-N 1 0 245.244 2.491 10 0 BEAERO OCc1cccc(OCCC[C@@H]2CCC[NH2+]2)c1 ZINC000052765298 183168152 /nfs/dbraw/zinc/16/81/52/183168152.db2.gz YWRWPIMAVOYZIS-ZDUSSCGKSA-N 1 0 235.327 2.090 10 0 BEAERO OCc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000049333344 183168177 /nfs/dbraw/zinc/16/81/77/183168177.db2.gz DNWYISFXDLOBQY-UHFFFAOYSA-N 1 0 235.327 2.044 10 0 BEAERO CCCN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000124827683 169055002 /nfs/dbraw/zinc/05/50/02/169055002.db2.gz PBHFDGJFMVSHDN-LBPRGKRZSA-N 1 0 243.395 2.014 10 0 BEAERO O[C@@H](CC[NH+]1CCCCC1)c1ccco1 ZINC000026510465 183174250 /nfs/dbraw/zinc/17/42/50/183174250.db2.gz HNBCCCKACHQLRJ-NSHDSACASA-N 1 0 209.289 2.189 10 0 BEAERO O[C@@H]([C@@H]1CCC[N@@H+]1C1CCCC1)C(F)(F)F ZINC000123755268 183185059 /nfs/dbraw/zinc/18/50/59/183185059.db2.gz HVRNOGWBCPMTDE-UWVGGRQHSA-N 1 0 237.265 2.317 10 0 BEAERO O[C@@H](C[NH+]1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000114469882 183175821 /nfs/dbraw/zinc/17/58/21/183175821.db2.gz AGTDPSVHXQJKJV-NSHDSACASA-N 1 0 245.244 2.445 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000125655519 183195990 /nfs/dbraw/zinc/19/59/90/183195990.db2.gz SZUAFLVEZHZUAG-ZWNOBZJWSA-N 1 0 241.281 2.215 10 0 BEAERO CCC[N@H+](C)C[C@H]1Cc2ccccc2CN1 ZINC000037098563 169077529 /nfs/dbraw/zinc/07/75/29/169077529.db2.gz VRSBDPRAZOAXKI-CQSZACIVSA-N 1 0 218.344 2.043 10 0 BEAERO CCC[N@H+](C)C[C@@H](N)c1ccc(OCC)cc1 ZINC000037098326 169077575 /nfs/dbraw/zinc/07/75/75/169077575.db2.gz GFIPHCXGDDIQCT-CQSZACIVSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@@H](c1ccc2ncccc2c1)[C@H]1CCCC[NH2+]1 ZINC000001729513 183185502 /nfs/dbraw/zinc/18/55/02/183185502.db2.gz DPBVGSJQEMNMHL-CABCVRRESA-N 1 0 242.322 2.410 10 0 BEAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000037882859 183188174 /nfs/dbraw/zinc/18/81/74/183188174.db2.gz OKDIDOCYEGKMSY-NWDGAFQWSA-N 1 0 209.289 2.063 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000309556495 183188239 /nfs/dbraw/zinc/18/82/39/183188239.db2.gz HVLHYALCNILYPQ-UPJWGTAASA-N 1 0 223.360 2.460 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CC2(C1)CCCC2 ZINC000123320968 183188396 /nfs/dbraw/zinc/18/83/96/183188396.db2.gz QMWMTUISYRTVQN-NWDGAFQWSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000037489986 183195818 /nfs/dbraw/zinc/19/58/18/183195818.db2.gz IGYFYVCNGZIDTP-NWDGAFQWSA-N 1 0 225.719 2.343 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000037164919 183195831 /nfs/dbraw/zinc/19/58/31/183195831.db2.gz VEWJZJXSMJXHGI-GHMZBOCLSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@@H+](C1CCC1)CC2 ZINC000245605854 183217478 /nfs/dbraw/zinc/21/74/78/183217478.db2.gz MKHITIKHFGUAQX-DGCLKSJQSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@@]1(c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000104108235 183218113 /nfs/dbraw/zinc/21/81/13/183218113.db2.gz ABEXCXLWHPTKFT-HNNXBMFYSA-N 1 0 227.307 2.411 10 0 BEAERO O[C@H](CCCc1ccccc1)C1CC[NH2+]CC1 ZINC000041261868 183219322 /nfs/dbraw/zinc/21/93/22/183219322.db2.gz PHBUEPAPOYPPSC-OAHLLOKOSA-N 1 0 233.355 2.370 10 0 BEAERO CCC[N@H+](C)Cc1cccc2c1NCC2 ZINC000130480043 169079950 /nfs/dbraw/zinc/07/99/50/169079950.db2.gz HNEFLAUSTKWOOX-UHFFFAOYSA-N 1 0 204.317 2.496 10 0 BEAERO O[C@H](c1c(F)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000041251916 183228356 /nfs/dbraw/zinc/22/83/56/183228356.db2.gz LOMYMMWSHHSIDE-KOLCDFICSA-N 1 0 229.682 2.265 10 0 BEAERO CCCN(C)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042960735 169086858 /nfs/dbraw/zinc/08/68/58/169086858.db2.gz WAGIAVCSLYQGLO-BXUZGUMPSA-N 1 0 236.359 2.425 10 0 BEAERO O[C@H](c1cc(Cl)ccc1F)[C@H]1CCC[NH2+]1 ZINC000083264774 183228492 /nfs/dbraw/zinc/22/84/92/183228492.db2.gz YDXYTTUKDPTOLL-GHMZBOCLSA-N 1 0 229.682 2.265 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(C(F)F)CC1 ZINC000307860133 183231524 /nfs/dbraw/zinc/23/15/24/183231524.db2.gz SDNKYCGQCJSBOV-QWRGUYRKSA-N 1 0 233.302 2.267 10 0 BEAERO CCCN(C)[C@@H](C[NH3+])c1ccccc1OCC ZINC000020226158 169087129 /nfs/dbraw/zinc/08/71/29/169087129.db2.gz KVXQGZSHIZXKPW-ZDUSSCGKSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@H](c1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000083264771 183228921 /nfs/dbraw/zinc/22/89/21/183228921.db2.gz YDXYTTUKDPTOLL-WDEREUQCSA-N 1 0 229.682 2.265 10 0 BEAERO CCCN(C)c1nc(C)cc(C)c1C[NH3+] ZINC000040509392 169089920 /nfs/dbraw/zinc/08/99/20/169089920.db2.gz PRPRTNBDPUEWFS-UHFFFAOYSA-N 1 0 207.321 2.003 10 0 BEAERO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CC[C@H](C2CC2)C1 ZINC000371473118 183215066 /nfs/dbraw/zinc/21/50/66/183215066.db2.gz LIJHPGVAZOMOOV-CWRNSKLLSA-N 1 0 243.350 2.377 10 0 BEAERO O[C@@]1(C2CC2)CC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336265397 183215898 /nfs/dbraw/zinc/21/58/98/183215898.db2.gz QNBCFNHSLDZGCJ-NEPJUHHUSA-N 1 0 245.313 2.269 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCc2c(F)cccc2C1 ZINC000119453943 183232234 /nfs/dbraw/zinc/23/22/34/183232234.db2.gz IOJNABXQWLBDSB-CABCVRRESA-N 1 0 249.329 2.487 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000052013719 183233902 /nfs/dbraw/zinc/23/39/02/183233902.db2.gz GGRWQDJZQHCGBG-NEPJUHHUSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@H]1CCC[NH2+][C@@H]1c1ccccc1Cl ZINC000082372978 183235272 /nfs/dbraw/zinc/23/52/72/183235272.db2.gz ALSKCVLWZUYSNV-WDEREUQCSA-N 1 0 211.692 2.125 10 0 BEAERO CCCN(CC(F)(F)F)c1ccc(C[NH3+])cn1 ZINC000042736295 169107671 /nfs/dbraw/zinc/10/76/71/169107671.db2.gz VMNHKUDYVTZARW-UHFFFAOYSA-N 1 0 247.264 2.319 10 0 BEAERO CCC[NH+](CCC)[C@@H](CN)CC(C)C ZINC000022177490 169150398 /nfs/dbraw/zinc/15/03/98/169150398.db2.gz KVDAQIKZKNRYOY-GFCCVEGCSA-N 1 0 200.370 2.482 10 0 BEAERO CCC[N@H+](CC)C[C@H](N)c1ccccc1OC ZINC000037094866 169130469 /nfs/dbraw/zinc/13/04/69/169130469.db2.gz NUFMPILKGZNZEC-ZDUSSCGKSA-N 1 0 236.359 2.427 10 0 BEAERO CCCN(CCC)C(=O)[C@@]1(CCC)CC[NH2+]C1 ZINC000062887554 169144842 /nfs/dbraw/zinc/14/48/42/169144842.db2.gz PYHPEPLJMCSLHB-AWEZNQCLSA-N 1 0 240.391 2.415 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000019432144 169144849 /nfs/dbraw/zinc/14/48/49/169144849.db2.gz HBHXGDJOWYECMX-VXGBXAGGSA-N 1 0 226.364 2.166 10 0 BEAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H]1C ZINC000107352645 169147235 /nfs/dbraw/zinc/14/72/35/169147235.db2.gz MZOACACWSXLHAI-STQMWFEESA-N 1 0 240.391 2.413 10 0 BEAERO CCCN(CCC)c1nc2ccccn2c1C[NH3+] ZINC000035434025 169153517 /nfs/dbraw/zinc/15/35/17/169153517.db2.gz QZABASQOLHPVJJ-UHFFFAOYSA-N 1 0 246.358 2.419 10 0 BEAERO CCCN(CCC[NH3+])c1cnnc2ccccc21 ZINC000104123742 169155481 /nfs/dbraw/zinc/15/54/81/169155481.db2.gz VJHNCDMZJNWJDF-UHFFFAOYSA-N 1 0 244.342 2.195 10 0 BEAERO CCCN(CCC[NH3+])C(=O)c1ccccc1C ZINC000036731285 169155748 /nfs/dbraw/zinc/15/57/48/169155748.db2.gz WBUJPHKPWBUTLO-UHFFFAOYSA-N 1 0 234.343 2.196 10 0 BEAERO CCCN(CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000076614744 169157175 /nfs/dbraw/zinc/15/71/75/169157175.db2.gz OMMZIXFSWWBPCC-UHFFFAOYSA-N 1 0 231.343 2.339 10 0 BEAERO CCC[N@H+](CCN(C)C)CC(CC)(CC)CO ZINC000051294881 169157205 /nfs/dbraw/zinc/15/72/05/169157205.db2.gz WUWHXIWJJSCDNM-UHFFFAOYSA-N 1 0 244.423 2.059 10 0 BEAERO CCCN(CC[NH+](C)C)c1cc(N)ccc1C ZINC000053735550 169157325 /nfs/dbraw/zinc/15/73/25/169157325.db2.gz FITYUHZWXPIYPT-UHFFFAOYSA-N 1 0 235.375 2.355 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCOC1 ZINC000037738630 183295282 /nfs/dbraw/zinc/29/52/82/183295282.db2.gz PXCJTILZYFTYDM-MFKMUULPSA-N 1 0 233.311 2.006 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCCF ZINC000296590612 183295904 /nfs/dbraw/zinc/29/59/04/183295904.db2.gz FLMAKZFSOXTHTQ-NSHDSACASA-N 1 0 209.264 2.329 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCO1 ZINC000036852176 183297308 /nfs/dbraw/zinc/29/73/08/183297308.db2.gz HOMOBSPFRSPMOS-ZWNOBZJWSA-N 1 0 233.311 2.148 10 0 BEAERO CCCN([C@@H](C)c1ccncc1)[C@@H]1CC[NH2+]C1 ZINC000071314492 169181675 /nfs/dbraw/zinc/18/16/75/169181675.db2.gz GMQSIJGDYBOQSB-GXTWGEPZSA-N 1 0 233.359 2.217 10 0 BEAERO CCCN(c1ncccc1C[NH2+]C)C(C)C ZINC000051440915 169183232 /nfs/dbraw/zinc/18/32/32/169183232.db2.gz CHLWTGFGBIMQEN-UHFFFAOYSA-N 1 0 221.348 2.426 10 0 BEAERO CCCN(c1nc2ccccn2c1C[NH3+])C1CC1 ZINC000035449248 169183239 /nfs/dbraw/zinc/18/32/39/169183239.db2.gz YIFYCCCEAALHDY-UHFFFAOYSA-N 1 0 244.342 2.172 10 0 BEAERO CCC[N@@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000062609115 169195523 /nfs/dbraw/zinc/19/55/23/169195523.db2.gz WJCASWSTXUXDJG-CQSZACIVSA-N 1 0 218.344 2.433 10 0 BEAERO CCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901172 169195669 /nfs/dbraw/zinc/19/56/69/169195669.db2.gz HFYIUIFULQGSOE-GFCCVEGCSA-N 1 0 207.321 2.238 10 0 BEAERO CCC[N@@H+]1CCC[C@]2(C1)c1ccccc1NC2=O ZINC000136866172 169198594 /nfs/dbraw/zinc/19/85/94/169198594.db2.gz GAXMORXVWSKSBO-HNNXBMFYSA-N 1 0 244.338 2.382 10 0 BEAERO CCCN1CCO[C@@H](c2ccccc2O)C1 ZINC000026820399 169204738 /nfs/dbraw/zinc/20/47/38/169204738.db2.gz SHHFMDBWFMMIMI-CYBMUJFWSA-N 1 0 221.300 2.176 10 0 BEAERO CCCNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCC ZINC000336758669 169227414 /nfs/dbraw/zinc/22/74/14/169227414.db2.gz ILIIUBHDSOFCMF-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000063048066 183341443 /nfs/dbraw/zinc/34/14/43/183341443.db2.gz AIWAMXFOEQHRGX-KGLIPLIRSA-N 1 0 234.343 2.244 10 0 BEAERO CCCN1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000013726360 169205772 /nfs/dbraw/zinc/20/57/72/169205772.db2.gz BLVMMLMFXYKMPX-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CCC[N@@H+]1CC[C@@H](CNc2cc(C)c(C)nn2)C1 ZINC000302347008 169206809 /nfs/dbraw/zinc/20/68/09/169206809.db2.gz XMULBJUHVQBWPU-ZDUSSCGKSA-N 1 0 248.374 2.237 10 0 BEAERO c1cc2cnccc2c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043325980 183359358 /nfs/dbraw/zinc/35/93/58/183359358.db2.gz ALCJHEHAIODSCG-GFCCVEGCSA-N 1 0 227.311 2.399 10 0 BEAERO c1cc2cccc(C[NH2+]CCc3c[nH]cn3)c2[nH]1 ZINC000083368481 183350107 /nfs/dbraw/zinc/35/01/07/183350107.db2.gz QOLFVCACBJEKBK-UHFFFAOYSA-N 1 0 240.310 2.223 10 0 BEAERO c1cc(SC[C@H]2CCCC[NH2+]2)ccn1 ZINC000087110533 183359616 /nfs/dbraw/zinc/35/96/16/183359616.db2.gz ZYOPIAHCLJUVCO-SNVBAGLBSA-N 1 0 208.330 2.316 10 0 BEAERO CCCNC(=O)CC[NH2+][C@H](CC)C(C)(C)C ZINC000309486904 169216772 /nfs/dbraw/zinc/21/67/72/169216772.db2.gz VSWYFXALCUTNBW-LLVKDONJSA-N 1 0 228.380 2.317 10 0 BEAERO CCCNC(=O)CC[NH2+][C@@H](CC)c1ccco1 ZINC000054106573 169216774 /nfs/dbraw/zinc/21/67/74/169216774.db2.gz MNFKMLYLWBHCND-NSHDSACASA-N 1 0 238.331 2.237 10 0 BEAERO c1cc2c(ccnc2[C@@H]2CCCC[NH2+]2)[nH]1 ZINC000089220588 183363550 /nfs/dbraw/zinc/36/35/50/183363550.db2.gz XCBZEBMCGQJWAR-NSHDSACASA-N 1 0 201.273 2.378 10 0 BEAERO CCC[NH2+]C1(c2nccs2)CCN(C)CC1 ZINC000041061332 169254899 /nfs/dbraw/zinc/25/48/99/169254899.db2.gz MONVCFLTQZTYAL-UHFFFAOYSA-N 1 0 239.388 2.064 10 0 BEAERO CCC[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000020094099 169262944 /nfs/dbraw/zinc/26/29/44/169262944.db2.gz DYFAUNXYTGNUQK-ZDUSSCGKSA-N 1 0 206.333 2.289 10 0 BEAERO CCC[NH2+]CC(=O)c1ccccc1OCC ZINC000041613792 169256273 /nfs/dbraw/zinc/25/62/73/169256273.db2.gz YWTJLBIQELHCMY-UHFFFAOYSA-N 1 0 221.300 2.268 10 0 BEAERO CCC[NH2+]CC(CC)(CC)CN1CCOCC1 ZINC000051208324 169256862 /nfs/dbraw/zinc/25/68/62/169256862.db2.gz AMFLSAGNBXTTCT-UHFFFAOYSA-N 1 0 242.407 2.125 10 0 BEAERO c1cc2c(cc1CCC[NH2+]C1CC1)OCCO2 ZINC000041260687 183366327 /nfs/dbraw/zinc/36/63/27/183366327.db2.gz HHOLMHLPVBKNQC-UHFFFAOYSA-N 1 0 233.311 2.142 10 0 BEAERO c1cc2c(cc1C1CC[NH2+]CC1)OCCCO2 ZINC000019835077 183367094 /nfs/dbraw/zinc/36/70/94/183367094.db2.gz VRTWVNXFHGAGDD-UHFFFAOYSA-N 1 0 233.311 2.315 10 0 BEAERO c1cc(C[NH2+]C[C@@H]2CCCCO2)cc2c1NCC2 ZINC000042825513 183367419 /nfs/dbraw/zinc/36/74/19/183367419.db2.gz GGHGKTCWSPYDPW-AWEZNQCLSA-N 1 0 246.354 2.313 10 0 BEAERO c1cc(NC2CC[NH2+]CC2)cc2c1CCC2 ZINC000038040552 183369119 /nfs/dbraw/zinc/36/91/19/183369119.db2.gz YYKZPOAVQQSBLK-UHFFFAOYSA-N 1 0 216.328 2.339 10 0 BEAERO CCC[NH2+]CCc1cc(OC)ccc1OC ZINC000032014507 169261113 /nfs/dbraw/zinc/26/11/13/169261113.db2.gz NBRBAASYQVVTDE-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO CCC[NH2+]C[C@@H](C(C)C)N1CCC(OC)CC1 ZINC000052455046 169261260 /nfs/dbraw/zinc/26/12/60/169261260.db2.gz RURCCXCUTAWZOY-AWEZNQCLSA-N 1 0 242.407 2.121 10 0 BEAERO CCCNC(=O)N(CC)c1ccc(C[NH3+])cc1 ZINC000034654303 169234238 /nfs/dbraw/zinc/23/42/38/169234238.db2.gz BOPMNVJHOCQLLS-UHFFFAOYSA-N 1 0 235.331 2.091 10 0 BEAERO c1cc2c3c(c1)C[NH2+]CCN3[C@@H]1CCC[C@@H]21 ZINC000034279013 183373331 /nfs/dbraw/zinc/37/33/31/183373331.db2.gz XOSKJKGKWRIMGV-WCQYABFASA-N 1 0 214.312 2.246 10 0 BEAERO c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367703554 183373452 /nfs/dbraw/zinc/37/34/52/183373452.db2.gz DGVZQQSRAWKYPP-RVMXOQNASA-N 1 0 233.311 2.139 10 0 BEAERO c1cc2cc(NC3CC[NH2+]CC3)ccc2[nH]1 ZINC000038040692 183374198 /nfs/dbraw/zinc/37/41/98/183374198.db2.gz LGZGSEGQJWXUMF-UHFFFAOYSA-N 1 0 215.300 2.332 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc(F)c(C)c1 ZINC000049814983 169262592 /nfs/dbraw/zinc/26/25/92/169262592.db2.gz QGWSKBWPYTVMOL-GFCCVEGCSA-N 1 0 211.280 2.167 10 0 BEAERO CCCNC(=O)Nc1ccccc1C[NH2+]CC ZINC000036283527 169240372 /nfs/dbraw/zinc/24/03/72/169240372.db2.gz DUAQPXQIJRELGK-UHFFFAOYSA-N 1 0 235.331 2.328 10 0 BEAERO CCCNC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000020256718 169240421 /nfs/dbraw/zinc/24/04/21/169240421.db2.gz BZIDVMQUZGSZTP-SECBINFHSA-N 1 0 221.304 2.238 10 0 BEAERO c1cc2nc([C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000074211587 183377348 /nfs/dbraw/zinc/37/73/48/183377348.db2.gz BMGXOXVOPHUNTJ-VIFPVBQESA-N 1 0 201.273 2.030 10 0 BEAERO c1cc2sc(CN3CC[NH2+]CC3)cc2s1 ZINC000083131913 183378022 /nfs/dbraw/zinc/37/80/22/183378022.db2.gz LKBKKCZZKRAMLR-UHFFFAOYSA-N 1 0 238.381 2.368 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042862091 169242272 /nfs/dbraw/zinc/24/22/72/169242272.db2.gz QOZNJEXCSYCWNT-YNEHKIRRSA-N 1 0 240.391 2.317 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000042579109 169242523 /nfs/dbraw/zinc/24/25/23/169242523.db2.gz LNKCTHMYKQYAMS-FRRDWIJNSA-N 1 0 240.391 2.460 10 0 BEAERO c1cc2sc(C3CC[NH2+]CC3)nc2cn1 ZINC000075869487 183378856 /nfs/dbraw/zinc/37/88/56/183378856.db2.gz KPWQIDSGIOKDDT-UHFFFAOYSA-N 1 0 219.313 2.158 10 0 BEAERO c1nn(-c2ccccc2)nc1C[NH2+]CC1CCC1 ZINC000037179384 183386097 /nfs/dbraw/zinc/38/60/97/183386097.db2.gz HQUSWLJJJHUFMR-UHFFFAOYSA-N 1 0 242.326 2.157 10 0 BEAERO c1cc(SC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000087110554 183360621 /nfs/dbraw/zinc/36/06/21/183360621.db2.gz LMXAYFIVKMVSAC-SNVBAGLBSA-N 1 0 208.330 2.173 10 0 BEAERO CCC[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000019482389 169287212 /nfs/dbraw/zinc/28/72/12/169287212.db2.gz ISKQFNJPFXSYHU-SECBINFHSA-N 1 0 209.289 2.461 10 0 BEAERO c1cc(C2CC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000075869546 183387857 /nfs/dbraw/zinc/38/78/57/183387857.db2.gz PHRVFBYRMVBPQV-UHFFFAOYSA-N 1 0 227.311 2.339 10 0 BEAERO CCC[NH2+][C@H](C)c1cnc(CCOC)nc1C ZINC000054963195 169287958 /nfs/dbraw/zinc/28/79/58/169287958.db2.gz MSWOKHFGUXFZIO-SNVBAGLBSA-N 1 0 237.347 2.035 10 0 BEAERO CCC[NH2+][C@H](CC(=O)OC)c1ccccc1 ZINC000083351357 169288082 /nfs/dbraw/zinc/28/80/82/169288082.db2.gz FZPTVQGQIZVXEV-GFCCVEGCSA-N 1 0 221.300 2.290 10 0 BEAERO CCC[NH2+]C[C@H](O)CO[C@H]1CCCC[C@@H]1CC ZINC000036948949 169263786 /nfs/dbraw/zinc/26/37/86/169263786.db2.gz KSDDUNYKTRCMMO-IHRRRGAJSA-N 1 0 243.391 2.332 10 0 BEAERO CCC[NH2+]C[C@H]1CCc2ccc(O)cc2O1 ZINC000001895572 169264424 /nfs/dbraw/zinc/26/44/24/169264424.db2.gz PEHTUJKNDCNRDK-GFCCVEGCSA-N 1 0 221.300 2.085 10 0 BEAERO CCC[NH2+]Cc1cc(C)nc(CC(F)(F)F)n1 ZINC000054831499 169265640 /nfs/dbraw/zinc/26/56/40/169265640.db2.gz ZSZQPOGEURTFRL-UHFFFAOYSA-N 1 0 247.264 2.389 10 0 BEAERO CCC[NH2+]Cc1c(C)nc2sccn12 ZINC000037184351 169265957 /nfs/dbraw/zinc/26/59/57/169265957.db2.gz BTPRITAYUUMYQT-UHFFFAOYSA-N 1 0 209.318 2.204 10 0 BEAERO CCC[NH2+]Cc1c(C)nc(CC)nc1C ZINC000054854206 169266066 /nfs/dbraw/zinc/26/60/66/169266066.db2.gz UIEMXARVLGJLRD-UHFFFAOYSA-N 1 0 207.321 2.155 10 0 BEAERO c1ccc(CC[NH2+]CCc2ccncc2)cc1 ZINC000037486087 183393072 /nfs/dbraw/zinc/39/30/72/183393072.db2.gz RYDZIKYBEVGJEF-UHFFFAOYSA-N 1 0 226.323 2.456 10 0 BEAERO c1ccc(CC[NH2+]CCc2ccccn2)cc1 ZINC000019916465 183393579 /nfs/dbraw/zinc/39/35/79/183393579.db2.gz PRDSRVPZBXXDSS-UHFFFAOYSA-N 1 0 226.323 2.456 10 0 BEAERO CCC[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000054791544 169267452 /nfs/dbraw/zinc/26/74/52/169267452.db2.gz UEBOAJWTYNAIAP-UHFFFAOYSA-N 1 0 228.299 2.038 10 0 BEAERO CCC[NH2+]Cc1ccccc1N1CCCOCC1 ZINC000061920281 169267458 /nfs/dbraw/zinc/26/74/58/169267458.db2.gz VXIOYNVPQYFTGZ-UHFFFAOYSA-N 1 0 248.370 2.413 10 0 BEAERO CCC[NH2+]Cc1cccnc1N1CC[C@@H](C)C1 ZINC000051448270 169267571 /nfs/dbraw/zinc/26/75/71/169267571.db2.gz MFIOBOUFSFAVSW-GFCCVEGCSA-N 1 0 233.359 2.427 10 0 BEAERO CCC[NH2+]Cc1ccnc(N2CC[C@@H](C)C2)c1 ZINC000051448333 169268229 /nfs/dbraw/zinc/26/82/29/169268229.db2.gz ZZTRSFCSVISAOL-GFCCVEGCSA-N 1 0 233.359 2.427 10 0 BEAERO CCC[NH2+]Cc1sc(CN(C)C)nc1CC ZINC000082425493 169269157 /nfs/dbraw/zinc/26/91/57/169269157.db2.gz NANIOFQDCKWGCF-UHFFFAOYSA-N 1 0 241.404 2.267 10 0 BEAERO c1ccc(CN2CC[NH2+]CC23CCCC3)cc1 ZINC000075835663 183399937 /nfs/dbraw/zinc/39/99/37/183399937.db2.gz HNNYBBQBIFNPAT-UHFFFAOYSA-N 1 0 230.355 2.405 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000037241483 169282988 /nfs/dbraw/zinc/28/29/88/169282988.db2.gz KVTQXLLVGXMZQM-LLVKDONJSA-N 1 0 222.307 2.404 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccccc2C)C1=O ZINC000049647943 169283120 /nfs/dbraw/zinc/28/31/20/169283120.db2.gz SUVYRZFTRPQQEZ-GFCCVEGCSA-N 1 0 232.327 2.100 10 0 BEAERO CCC[NH2+][C@@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974195 169283265 /nfs/dbraw/zinc/28/32/65/169283265.db2.gz MCFCTBBRHDFZAV-BDJLRTHQSA-N 1 0 241.331 2.378 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000037241747 169283489 /nfs/dbraw/zinc/28/34/89/169283489.db2.gz ONRSERGVWAURPG-GFCCVEGCSA-N 1 0 204.317 2.265 10 0 BEAERO CCCOC[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000037025179 169309469 /nfs/dbraw/zinc/30/94/69/169309469.db2.gz AVXQBPCIHICKSJ-GFCCVEGCSA-N 1 0 239.315 2.130 10 0 BEAERO CCCOC[C@@H]([NH3+])Cc1cccc(F)c1 ZINC000044653485 169309487 /nfs/dbraw/zinc/30/94/87/169309487.db2.gz APSBPTQEWRVZPW-LBPRGKRZSA-N 1 0 211.280 2.122 10 0 BEAERO CCCOCCOCc1cc(C[NH3+])ccc1F ZINC000104230115 169309582 /nfs/dbraw/zinc/30/95/82/169309582.db2.gz UPBNHSBQVNMTOE-UHFFFAOYSA-N 1 0 241.306 2.228 10 0 BEAERO CCCO[C@@H]1CCCN(CC2([NH3+])CCCC2)C1 ZINC000042425518 169310626 /nfs/dbraw/zinc/31/06/26/169310626.db2.gz MGFCOXJZKSVTDT-CYBMUJFWSA-N 1 0 240.391 2.149 10 0 BEAERO CCCO[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC000042425470 169312432 /nfs/dbraw/zinc/31/24/32/169312432.db2.gz UOVLKWRGZLBMDH-UONOGXRCSA-N 1 0 240.391 2.020 10 0 BEAERO CCCO[C@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000042425477 169312812 /nfs/dbraw/zinc/31/28/12/169312812.db2.gz QNLDLBJGPCNSEF-KGLIPLIRSA-N 1 0 242.407 2.251 10 0 BEAERO CCCOc1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000041142351 169316127 /nfs/dbraw/zinc/31/61/27/169316127.db2.gz APDGYTHQLRSXNS-UHFFFAOYSA-N 1 0 231.299 2.324 10 0 BEAERO CCCOc1ccc(C(=O)C[NH2+]CC)cc1 ZINC000041613213 169316805 /nfs/dbraw/zinc/31/68/05/169316805.db2.gz IVBLLOCVBOXWHV-UHFFFAOYSA-N 1 0 221.300 2.268 10 0 BEAERO CCC[NH2+][C@H]1CCN(CCOc2ccccc2)C1 ZINC000042896741 169291311 /nfs/dbraw/zinc/29/13/11/169291311.db2.gz MWRQCEVPGDQTKI-AWEZNQCLSA-N 1 0 248.370 2.139 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2ccccc2OC)C1 ZINC000037241052 169291771 /nfs/dbraw/zinc/29/17/71/169291771.db2.gz RMUJXALVOGTUCJ-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cccc(C)c2)C1=O ZINC000049647912 169291794 /nfs/dbraw/zinc/29/17/94/169291794.db2.gz IMUFBROHWCOYOJ-ZDUSSCGKSA-N 1 0 232.327 2.100 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000037241749 169291919 /nfs/dbraw/zinc/29/19/19/169291919.db2.gz ONRSERGVWAURPG-LBPRGKRZSA-N 1 0 204.317 2.265 10 0 BEAERO CCC[NH2+][C@H]1CCC[C@H]1c1cncnc1 ZINC000060716528 169291961 /nfs/dbraw/zinc/29/19/61/169291961.db2.gz XHZWMQIESYOYDM-RYUDHWBXSA-N 1 0 205.305 2.112 10 0 BEAERO CCCSc1ccc2c(c1)NC(=O)[C@@H]2[NH2+]C ZINC000036195040 169341254 /nfs/dbraw/zinc/34/12/54/169341254.db2.gz LOFXPGICHYFADK-LLVKDONJSA-N 1 0 236.340 2.401 10 0 BEAERO CCCSc1ccc2c(c1)NC(=O)[C@H]2[NH2+]C ZINC000102454754 169341674 /nfs/dbraw/zinc/34/16/74/169341674.db2.gz LOFXPGICHYFADK-NSHDSACASA-N 1 0 236.340 2.401 10 0 BEAERO CCCSc1nc2sccn2c1C[NH3+] ZINC000031972556 169341888 /nfs/dbraw/zinc/34/18/88/169341888.db2.gz QOGFJHUUKTXIFP-UHFFFAOYSA-N 1 0 227.358 2.357 10 0 BEAERO c1ccc2c3c(ccc2c1)O[C@@H](C1=[NH+]CCN1)C3 ZINC000013805912 183457783 /nfs/dbraw/zinc/45/77/83/183457783.db2.gz MUJUFNFDJQUVPB-CQSZACIVSA-N 1 0 238.290 2.145 10 0 BEAERO CCCOc1ccc([C@@H](CN)[NH2+]C(C)C)cc1 ZINC000052920125 169320719 /nfs/dbraw/zinc/32/07/19/169320719.db2.gz GNIFUQYSKOPKNL-CQSZACIVSA-N 1 0 236.359 2.473 10 0 BEAERO CCCOc1ccc([C@@H]([NH3+])CC(=O)OC)cc1 ZINC000052919382 169321237 /nfs/dbraw/zinc/32/12/37/169321237.db2.gz KXOQLWYFEOMBCU-LBPRGKRZSA-N 1 0 237.299 2.038 10 0 BEAERO CCCOc1ccc([C@@](C)([NH3+])CCO)cc1 ZINC000083617869 169321612 /nfs/dbraw/zinc/32/16/12/169321612.db2.gz ROPDFVCTRDRHBY-ZDUSSCGKSA-N 1 0 223.316 2.032 10 0 BEAERO CCCOc1ccc([C@@](C)(C[NH3+])OC)cc1 ZINC000071531044 169321863 /nfs/dbraw/zinc/32/18/63/169321863.db2.gz JFVPKDUMEUACFJ-CYBMUJFWSA-N 1 0 223.316 2.296 10 0 BEAERO CCCOc1ccc([C@](C)([NH3+])CCO)cc1 ZINC000083617868 169322242 /nfs/dbraw/zinc/32/22/42/169322242.db2.gz ROPDFVCTRDRHBY-CYBMUJFWSA-N 1 0 223.316 2.032 10 0 BEAERO CCCOc1ccc([C@H](CCO)[NH2+]C)cc1 ZINC000071531047 169322277 /nfs/dbraw/zinc/32/22/77/169322277.db2.gz MZRGXJBRPRQVHM-ZDUSSCGKSA-N 1 0 223.316 2.118 10 0 BEAERO CCCOc1ccc([C@](C)(O)C[NH2+]C2CC2)cc1 ZINC000032104714 169322344 /nfs/dbraw/zinc/32/23/44/169322344.db2.gz WBFARBNBKTXZMQ-OAHLLOKOSA-N 1 0 249.354 2.435 10 0 BEAERO CCCOc1ccc([C@H]([C@@H](C)[NH3+])N(C)C)cc1 ZINC000071547424 169322561 /nfs/dbraw/zinc/32/25/61/169322561.db2.gz XJAFDMNGPANFNY-RISCZKNCSA-N 1 0 236.359 2.425 10 0 BEAERO CCCOc1ccc([C@H](O)C[NH2+]CC)cc1 ZINC000032014620 169322592 /nfs/dbraw/zinc/32/25/92/169322592.db2.gz ADOFKFYICODNBJ-CYBMUJFWSA-N 1 0 223.316 2.118 10 0 BEAERO c1cnc2c(c1)nc(C1CC[NH2+]CC1)n2C1CC1 ZINC000082550446 183485847 /nfs/dbraw/zinc/48/58/47/183485847.db2.gz FTKAHLCECIXWFL-UHFFFAOYSA-N 1 0 242.326 2.233 10 0 BEAERO CCC[C@@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000020040816 169369476 /nfs/dbraw/zinc/36/94/76/169369476.db2.gz ZVMQHGABZHIYGM-GFCCVEGCSA-N 1 0 226.364 2.167 10 0 BEAERO CCC[C@@H](C)C(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000020251997 169347738 /nfs/dbraw/zinc/34/77/38/169347738.db2.gz QDJZWGBBFZTKNV-CHWSQXEVSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@@H](C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020040757 169370499 /nfs/dbraw/zinc/37/04/99/169370499.db2.gz RVXRPSROQYLNGO-SECBINFHSA-N 1 0 238.306 2.203 10 0 BEAERO CCC[C@@H](C)[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037642589 169370683 /nfs/dbraw/zinc/37/06/83/169370683.db2.gz FJWKAQOLBHWTMU-BDAKNGLRSA-N 1 0 237.347 2.226 10 0 BEAERO CCC[C@@H](C)C[NH2+]CC(C)(C)N1CCOCC1 ZINC000020120751 169359320 /nfs/dbraw/zinc/35/93/20/169359320.db2.gz XDITYUHCWIESMU-CYBMUJFWSA-N 1 0 242.407 2.123 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000037784578 169360351 /nfs/dbraw/zinc/36/03/51/169360351.db2.gz XIVBHQUKHUGQQW-OLZOCXBDSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H](CO)CC(C)C ZINC000040774918 169361165 /nfs/dbraw/zinc/36/11/65/169361165.db2.gz OQYVRZUCEIKJAT-NEPJUHHUSA-N 1 0 201.354 2.419 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000037784580 169361179 /nfs/dbraw/zinc/36/11/79/169361179.db2.gz XIVBHQUKHUGQQW-CHWSQXEVSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C[C@H](C)[NH2+]CC ZINC000061269758 169362183 /nfs/dbraw/zinc/36/21/83/169362183.db2.gz JMQLXLUKKINEMT-WDEREUQCSA-N 1 0 214.353 2.022 10 0 BEAERO CCC[C@@H](CC)NC(=O)[C@@]1(CCC)CC[NH2+]C1 ZINC000062903387 169377695 /nfs/dbraw/zinc/37/76/95/169377695.db2.gz AGOBEKJUFOLDOX-OCCSQVGLSA-N 1 0 240.391 2.461 10 0 BEAERO CCC[C@@H](CC)[NH2+][C@H]1CCc2nccn2C1 ZINC000310006143 169380210 /nfs/dbraw/zinc/38/02/10/169380210.db2.gz GRPWMMNFAWEFHW-NEPJUHHUSA-N 1 0 221.348 2.366 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccccc1 ZINC000036873401 169388433 /nfs/dbraw/zinc/38/84/33/169388433.db2.gz IWHWDAWGDFMCJC-KGLIPLIRSA-N 1 0 246.354 2.478 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CC)c1cccs1 ZINC000049532181 169390877 /nfs/dbraw/zinc/39/08/77/169390877.db2.gz AUFSRRKNWSDUFK-ZJUUUORDSA-N 1 0 240.372 2.443 10 0 BEAERO CCC[C@@H]([NH3+])c1nc2cc(OC)ccc2n1C ZINC000074297802 169393492 /nfs/dbraw/zinc/39/34/92/169393492.db2.gz ZCNRSFGVPHKLDZ-SNVBAGLBSA-N 1 0 233.315 2.382 10 0 BEAERO c1csc(OCCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095092527 183520786 /nfs/dbraw/zinc/52/07/86/183520786.db2.gz UTBDCGPZNCJTSI-JTQLQIEISA-N 1 0 226.345 2.444 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000336742368 169419318 /nfs/dbraw/zinc/41/93/18/169419318.db2.gz RXLFNFCAHDOZTO-CHWSQXEVSA-N 1 0 221.348 2.479 10 0 BEAERO c1ncc(COCCC2CC[NH2+]CC2)s1 ZINC000095092510 183547088 /nfs/dbraw/zinc/54/70/88/183547088.db2.gz GAFGIDALTWXUJQ-UHFFFAOYSA-N 1 0 226.345 2.049 10 0 BEAERO CCC[C@@]1(c2nc3cccnc3[nH]2)CCC[NH2+]C1 ZINC000062869259 169463638 /nfs/dbraw/zinc/46/36/38/169463638.db2.gz SESATAMVNDYEFB-CQSZACIVSA-N 1 0 244.342 2.379 10 0 BEAERO CCC[C@H](C)N(C)C(=O)C1(C)CC[NH2+]CC1 ZINC000062839869 169484674 /nfs/dbraw/zinc/48/46/74/169484674.db2.gz KNOAQXIWSATZTM-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CCC[C@H](C)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037655158 169484901 /nfs/dbraw/zinc/48/49/01/169484901.db2.gz FVBWFQAKEVBFFY-UNXYVOJBSA-N 1 0 226.364 2.151 10 0 BEAERO CCC[C@H](c1cccs1)N1C[C@@H]([NH3+])CC1=O ZINC000049546870 169522521 /nfs/dbraw/zinc/52/25/21/169522521.db2.gz OOROWGISWBBFJA-VHSXEESVSA-N 1 0 238.356 2.149 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)CC ZINC000336750254 169525867 /nfs/dbraw/zinc/52/58/67/169525867.db2.gz ZJUJPPPXYHZRSR-RYUDHWBXSA-N 1 0 226.364 2.023 10 0 BEAERO CCCc1ccc(N2CC[C@@H](C[NH3+])C2)cc1 ZINC000037287453 169571802 /nfs/dbraw/zinc/57/18/02/169571802.db2.gz NENYHQWXBYYWAV-ZDUSSCGKSA-N 1 0 218.344 2.424 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ncc(Cl)s1 ZINC000225359705 134355152 /nfs/dbraw/zinc/35/51/52/134355152.db2.gz ILXMKFQPRWERHN-YUMQZZPRSA-N 1 0 246.763 2.047 10 0 BEAERO CCCn1cc([C@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000060713881 169621034 /nfs/dbraw/zinc/62/10/34/169621034.db2.gz ZKOCREGHSFHDEV-NEPJUHHUSA-N 1 0 207.321 2.278 10 0 BEAERO CCN(C(=O)C[NH2+][C@H]1CCC[C@H](C)C1)C1CC1 ZINC000049292660 169636469 /nfs/dbraw/zinc/63/64/69/169636469.db2.gz QRADXJKJWJTVHR-RYUDHWBXSA-N 1 0 238.375 2.166 10 0 BEAERO CCN(C(=O)[C@H]1CC[C@@H](C)[NH2+]C1)C1CCCC1 ZINC000035773154 169653325 /nfs/dbraw/zinc/65/33/25/169653325.db2.gz SBBIDGVROIUGMF-NEPJUHHUSA-N 1 0 238.375 2.166 10 0 BEAERO CSCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227328449 134378145 /nfs/dbraw/zinc/37/81/45/134378145.db2.gz QKKJJDPGHJXLNK-STQMWFEESA-N 1 0 242.432 2.298 10 0 BEAERO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1cccs1 ZINC000035138562 383835439 /nfs/dbraw/zinc/83/54/39/383835439.db2.gz IQAMYSIHGVMZMC-SNVBAGLBSA-N 1 0 238.356 2.021 10 0 BEAERO [NH3+]Cc1cnc2oc(Br)cc2c1 ZINC000035269756 383844851 /nfs/dbraw/zinc/84/48/51/383844851.db2.gz DAJKNUYKPWTXBE-UHFFFAOYSA-N 1 0 227.061 2.049 10 0 BEAERO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000185591959 134381984 /nfs/dbraw/zinc/38/19/84/134381984.db2.gz ZVTFWQCZOGUEOU-FRRDWIJNSA-N 1 0 243.391 2.283 10 0 BEAERO CO[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022372 383881352 /nfs/dbraw/zinc/88/13/52/383881352.db2.gz JYDRVHZVBOYBFQ-XCBNKYQSSA-N 1 0 244.132 2.484 10 0 BEAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NC2CC2)cc1 ZINC000035132984 383831487 /nfs/dbraw/zinc/83/14/87/383831487.db2.gz ZAUWMSONGPHYEO-NSHDSACASA-N 1 0 246.354 2.178 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCOC1)c1c(C)noc1C ZINC000131559435 383833907 /nfs/dbraw/zinc/83/39/07/383833907.db2.gz LSMILFBMAWTRQK-MNOVXSKESA-N 1 0 224.304 2.121 10 0 BEAERO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(N)=O ZINC000035138722 383835104 /nfs/dbraw/zinc/83/51/04/383835104.db2.gz KYZODSVXKZPITE-QWRGUYRKSA-N 1 0 242.322 2.364 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2ccccc2)[C@@H]1C ZINC000068593177 384002355 /nfs/dbraw/zinc/00/23/55/384002355.db2.gz NVIRYIHNKWLTFW-BZPMIXESSA-N 1 0 218.344 2.244 10 0 BEAERO Cc1ccc(C[NH2+]Cc2nc(C)ccc2O)cn1 ZINC000112716661 383945021 /nfs/dbraw/zinc/94/50/21/383945021.db2.gz IAZMDVBCGLRCJV-UHFFFAOYSA-N 1 0 243.310 2.089 10 0 BEAERO Clc1nc2ccccc2nc1N[C@H]1CC[NH2+]C1 ZINC000073735980 384021468 /nfs/dbraw/zinc/02/14/68/384021468.db2.gz BGKLMEPLFUDCOI-QMMMGPOBSA-N 1 0 248.717 2.057 10 0 BEAERO C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000035654519 384089437 /nfs/dbraw/zinc/08/94/37/384089437.db2.gz NMAMDQFRRRJBPC-SECBINFHSA-N 1 0 242.116 2.492 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COC(C)C)o1 ZINC000038097639 384069530 /nfs/dbraw/zinc/06/95/30/384069530.db2.gz BALNCZDQMVXALC-NEPJUHHUSA-N 1 0 241.331 2.025 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1ccccn1 ZINC000035723855 384097371 /nfs/dbraw/zinc/09/73/71/384097371.db2.gz CHUNRVISIRCDQQ-UWVGGRQHSA-N 1 0 208.330 2.301 10 0 BEAERO [NH3+][C@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000070299442 384098464 /nfs/dbraw/zinc/09/84/64/384098464.db2.gz MFOXIVRDVQGIJV-STQMWFEESA-N 1 0 238.281 2.201 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1Sc1ccccn1 ZINC000035723850 384098477 /nfs/dbraw/zinc/09/84/77/384098477.db2.gz CHUNRVISIRCDQQ-NXEZZACHSA-N 1 0 208.330 2.301 10 0 BEAERO C[C@H](NC1=[NH+][C@H](C)CS1)c1ccco1 ZINC000035739650 384101410 /nfs/dbraw/zinc/10/14/10/384101410.db2.gz PMNILDFQAOZPHW-SFYZADRCSA-N 1 0 210.302 2.422 10 0 BEAERO CCc1ccc([C@H](O)CC[NH+](C)C)cc1 ZINC000039101187 384102643 /nfs/dbraw/zinc/10/26/43/384102643.db2.gz LFPHJFLMDCHKFP-CYBMUJFWSA-N 1 0 207.317 2.234 10 0 BEAERO Cc1ccc([C@@H](O)C[NH2+]C2CC2)cc1C ZINC000039105367 384104066 /nfs/dbraw/zinc/10/40/66/384104066.db2.gz ZCFNEOMOHXCIQL-ZDUSSCGKSA-N 1 0 205.301 2.089 10 0 BEAERO Cc1ccc([C@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)cc1 ZINC000072415337 384104713 /nfs/dbraw/zinc/10/47/13/384104713.db2.gz HWNQLPKMEPSQNX-DGCLKSJQSA-N 1 0 227.311 2.448 10 0 BEAERO Cc1ccc([C@@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)cc1 ZINC000072415336 384104821 /nfs/dbraw/zinc/10/48/21/384104821.db2.gz HWNQLPKMEPSQNX-WCQYABFASA-N 1 0 227.311 2.448 10 0 BEAERO COC(=O)c1coc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000278683508 384105412 /nfs/dbraw/zinc/10/54/12/384105412.db2.gz JZXRRDNIZLODST-OYNCUSHFSA-N 1 0 223.272 2.125 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290404964 384105473 /nfs/dbraw/zinc/10/54/73/384105473.db2.gz PRBVRDURQWBZDJ-KKZNHRDASA-N 1 0 240.372 2.475 10 0 BEAERO COC(=O)c1coc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000278683507 384105866 /nfs/dbraw/zinc/10/58/66/384105866.db2.gz JZXRRDNIZLODST-NRPADANISA-N 1 0 223.272 2.125 10 0 BEAERO CCC[C@@H]1[NH2+]Cc2sc(N)nc2[C@@H]1C ZINC000039109081 384106481 /nfs/dbraw/zinc/10/64/81/384106481.db2.gz ANZGPGIGZNKFSM-RQJHMYQMSA-N 1 0 211.334 2.101 10 0 BEAERO Cn1ncc2c1C[C@@H](c1ccccc1)C[C@H]2[NH3+] ZINC000072415870 384107923 /nfs/dbraw/zinc/10/79/23/384107923.db2.gz COLBHMINQPMZHA-WCQYABFASA-N 1 0 227.311 2.150 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2=O)cc1C ZINC000116390561 384134141 /nfs/dbraw/zinc/13/41/41/384134141.db2.gz WXQGRMQGPPSJJK-TZMCWYRMSA-N 1 0 246.354 2.185 10 0 BEAERO CC(C)(C)OC(=O)NC1CC([NH+]2CCCC2)C1 ZINC000091353136 384119963 /nfs/dbraw/zinc/11/99/63/384119963.db2.gz JOWISBFSJNIJSP-UHFFFAOYSA-N 1 0 240.347 2.138 10 0 BEAERO C[NH2+][C@@H](C)CC12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000005734869 384126467 /nfs/dbraw/zinc/12/64/67/384126467.db2.gz STEFEEAVJHCPMZ-OMXXWXSESA-N 1 0 223.360 2.316 10 0 BEAERO CCCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320747 384128316 /nfs/dbraw/zinc/12/83/16/384128316.db2.gz AYHKWWKDZCUGGE-NSHDSACASA-N 1 0 207.321 2.010 10 0 BEAERO c1ccc2c(c1)ncnc2NCC[NH+]1CCCC1 ZINC000005771041 384129665 /nfs/dbraw/zinc/12/96/65/384129665.db2.gz XNXNHUUFUKLOMH-UHFFFAOYSA-N 1 0 242.326 2.138 10 0 BEAERO c1ccc([C@H]2OC[C@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000005934457 384138359 /nfs/dbraw/zinc/13/83/59/384138359.db2.gz XKGUUISNOPCNKA-MJBXVCDLSA-N 1 0 233.311 2.243 10 0 BEAERO CCO[C@@H](c1ccc(C)cc1)C1=[NH+]CCCN1 ZINC000005860852 384138605 /nfs/dbraw/zinc/13/86/05/384138605.db2.gz YMBJPKOYMAYDAM-ZDUSSCGKSA-N 1 0 232.327 2.464 10 0 BEAERO Fc1cccc(Cl)c1CC1=[NH+]CCN1 ZINC000071518579 384168185 /nfs/dbraw/zinc/16/81/85/384168185.db2.gz DDGNGLYAUMSGTP-UHFFFAOYSA-N 1 0 212.655 2.023 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000119086341 384232710 /nfs/dbraw/zinc/23/27/10/384232710.db2.gz WNXJHBMDYBWXFB-YPMHNXCESA-N 1 0 241.331 2.026 10 0 BEAERO Cn1cccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093438481 384239035 /nfs/dbraw/zinc/23/90/35/384239035.db2.gz MMVJOMMATSFZPR-CQSZACIVSA-N 1 0 244.342 2.475 10 0 BEAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(O)CC1 ZINC000132119848 384217093 /nfs/dbraw/zinc/21/70/93/384217093.db2.gz LQYNOBSUSVDCJH-ZDUSSCGKSA-N 1 0 233.355 2.322 10 0 BEAERO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](O)C1 ZINC000132093917 384217646 /nfs/dbraw/zinc/21/76/46/384217646.db2.gz ACPMSFXWNQGHLJ-HIFRSBDPSA-N 1 0 233.355 2.322 10 0 BEAERO [NH3+][C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000074077955 384272549 /nfs/dbraw/zinc/27/25/49/384272549.db2.gz NYAVATPUTHELAJ-SNVBAGLBSA-N 1 0 219.332 2.273 10 0 BEAERO COC(=O)c1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000044135437 384317132 /nfs/dbraw/zinc/31/71/32/384317132.db2.gz SGQRPGAFXLWANY-GFCCVEGCSA-N 1 0 219.284 2.288 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000119933291 384318118 /nfs/dbraw/zinc/31/81/18/384318118.db2.gz QNQLIGWSIBXMCF-QEJZJMRPSA-N 1 0 248.370 2.056 10 0 BEAERO Cc1nc(C)c(C[N@H+]2CCC[C@@H](O)[C@@H]2C)s1 ZINC000295084347 384292026 /nfs/dbraw/zinc/29/20/26/384292026.db2.gz SIUGXTIDGLVHGR-GXSJLCMTSA-N 1 0 240.372 2.105 10 0 BEAERO c1ccc2c(c1)C[C@H]2CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094450365 384300184 /nfs/dbraw/zinc/30/01/84/384300184.db2.gz NTRUBZPZKLCAOZ-LSDHHAIUSA-N 1 0 242.366 2.106 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccnc1 ZINC000094448465 384300464 /nfs/dbraw/zinc/30/04/64/384300464.db2.gz CCDMBPWRAJRPRC-LSDHHAIUSA-N 1 0 245.370 2.140 10 0 BEAERO [NH3+]CCn1ccc2cccc(Br)c21 ZINC000059731316 384336987 /nfs/dbraw/zinc/33/69/87/384336987.db2.gz GXEVJKLGBKPGIM-UHFFFAOYSA-N 1 0 239.116 2.363 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@H](C)CO ZINC000134172735 384338293 /nfs/dbraw/zinc/33/82/93/384338293.db2.gz YABKHABTKUMMPW-MXWKQRLJSA-N 1 0 225.307 2.493 10 0 BEAERO C[C@@H]([NH2+]CCc1ccsc1)c1cnn(C)c1 ZINC000044500430 384338723 /nfs/dbraw/zinc/33/87/23/384338723.db2.gz JGUCTSUNAPYMSE-SNVBAGLBSA-N 1 0 235.356 2.375 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncccc2Cl)C1 ZINC000335577437 384339514 /nfs/dbraw/zinc/33/95/14/384339514.db2.gz DZBZONIJBVVJOI-IUCAKERBSA-N 1 0 225.723 2.274 10 0 BEAERO CN(C[C@@H]1CCCC[NH2+]1)c1nc2ccccc2[nH]1 ZINC000095070840 384339540 /nfs/dbraw/zinc/33/95/40/384339540.db2.gz KJFJNOULPOCHIS-NSHDSACASA-N 1 0 244.342 2.141 10 0 BEAERO C[NH2+][C@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095071454 384340545 /nfs/dbraw/zinc/34/05/45/384340545.db2.gz LZWWLUALJCAILV-JTQLQIEISA-N 1 0 247.367 2.485 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CO1 ZINC000401961354 384344422 /nfs/dbraw/zinc/34/44/22/384344422.db2.gz WUALGIJVVNNWQF-SNPRPXQTSA-N 1 0 248.370 2.056 10 0 BEAERO CCC[C@H](C(=O)N[C@@H](C)CC(C)C)[NH+](C)C ZINC000120315626 384345412 /nfs/dbraw/zinc/34/54/12/384345412.db2.gz JJDQVGWJFLGDFT-NWDGAFQWSA-N 1 0 228.380 2.268 10 0 BEAERO FC(F)(F)N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000095077014 384353613 /nfs/dbraw/zinc/35/36/13/384353613.db2.gz ZUHXVXODGHNKDT-SECBINFHSA-N 1 0 222.254 2.113 10 0 BEAERO c1ccc2c(c1)CN(C[C@H]1CC[NH2+]C1)N=N2 ZINC000095080685 384358501 /nfs/dbraw/zinc/35/85/01/384358501.db2.gz QZPMBZJJWISOAL-JTQLQIEISA-N 1 0 216.288 2.110 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cncn1CC ZINC000300379374 384360897 /nfs/dbraw/zinc/36/08/97/384360897.db2.gz HGTMIZKKYZJFNZ-PWSUYJOCSA-N 1 0 207.321 2.181 10 0 BEAERO c1ccc2c(c1)snc2NC[C@@H]1CC[NH2+]C1 ZINC000095092626 384363154 /nfs/dbraw/zinc/36/31/54/384363154.db2.gz REUFGXYLNPWJDX-SECBINFHSA-N 1 0 233.340 2.318 10 0 BEAERO c1ccc(CSC[C@H]2CCC[NH2+]C2)nc1 ZINC000095092741 384363656 /nfs/dbraw/zinc/36/36/56/384363656.db2.gz SCMMPPFBZALNMJ-NSHDSACASA-N 1 0 222.357 2.314 10 0 BEAERO c1ncc(CS[C@H]2CCC[NH2+]C2)s1 ZINC000095092732 384363734 /nfs/dbraw/zinc/36/37/34/384363734.db2.gz DWJZGOOWJPEUMP-QMMMGPOBSA-N 1 0 214.359 2.128 10 0 BEAERO c1cncc(COCCC[C@@H]2CCC[NH2+]C2)c1 ZINC000095092574 384363983 /nfs/dbraw/zinc/36/39/83/384363983.db2.gz WEXZZDBHZVJFHM-ZDUSSCGKSA-N 1 0 234.343 2.378 10 0 BEAERO C[N@@H+](Cc1cncs1)C[C@@H]1CCCC[C@@H]1O ZINC000134602358 384369688 /nfs/dbraw/zinc/36/96/88/384369688.db2.gz LHYBWXDTGIXENJ-JQWIXIFHSA-N 1 0 240.372 2.126 10 0 BEAERO C[C@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccn1 ZINC000095068316 384330942 /nfs/dbraw/zinc/33/09/42/384330942.db2.gz JCWKVGUESLPLOG-GMXVVIOVSA-N 1 0 219.332 2.002 10 0 BEAERO Cc1ccnc(SC[C@@H]2CCC[NH2+]2)c1 ZINC000095069305 384333108 /nfs/dbraw/zinc/33/31/08/384333108.db2.gz MMAQRBWDMXRZHA-JTQLQIEISA-N 1 0 208.330 2.234 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000134123086 384334174 /nfs/dbraw/zinc/33/41/74/384334174.db2.gz OLEZZXWKRHSMOL-AXFHLTTASA-N 1 0 225.307 2.493 10 0 BEAERO Clc1ccc(SC[C@H]2CCC[NH2+]C2)nn1 ZINC000095069986 384334167 /nfs/dbraw/zinc/33/41/67/384334167.db2.gz HFZGPKUZFMVGFB-QMMMGPOBSA-N 1 0 243.763 2.222 10 0 BEAERO Cc1c(C[NH2+]C[C@H](C)CC(F)F)cnn1C ZINC000647226442 384396116 /nfs/dbraw/zinc/39/61/16/384396116.db2.gz GXURXABTHZGZPL-MRVPVSSYSA-N 1 0 231.290 2.109 10 0 BEAERO [NH3+][C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000095829029 384400429 /nfs/dbraw/zinc/40/04/29/384400429.db2.gz BCHBZNOWZZEHFX-LLVKDONJSA-N 1 0 205.305 2.334 10 0 BEAERO CCO[C@H]1C[C@H]([N@H+](C)CCCO)C12CCCC2 ZINC000121187989 384401107 /nfs/dbraw/zinc/40/11/07/384401107.db2.gz AJXHLXRWSBBNJD-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO CCCCOC(=O)N1CCC([NH3+])(CC)CC1 ZINC000095932642 384409653 /nfs/dbraw/zinc/40/96/53/384409653.db2.gz QCFVDHDDJXBDCB-UHFFFAOYSA-N 1 0 228.336 2.126 10 0 BEAERO C[NH2+][C@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616673894 384411244 /nfs/dbraw/zinc/41/12/44/384411244.db2.gz TZOLWUSTKPXAIJ-LBPRGKRZSA-N 1 0 218.344 2.436 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)o1 ZINC000084228745 384379405 /nfs/dbraw/zinc/37/94/05/384379405.db2.gz AINNEUCYONJSHR-PSASIEDQSA-N 1 0 229.707 2.184 10 0 BEAERO Cc1nc(CN2CCS[C@@H](C)C2)cs1 ZINC000076727392 384383083 /nfs/dbraw/zinc/38/30/83/384383083.db2.gz OQHDRLMQTQVJGR-QMMMGPOBSA-N 1 0 228.386 2.389 10 0 BEAERO CC(C)[N@H+](CCOCC1CC1)C1CCOCC1 ZINC000121889808 384444432 /nfs/dbraw/zinc/44/44/32/384444432.db2.gz UFLCFPCNIXWBBO-UHFFFAOYSA-N 1 0 241.375 2.302 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000181123061 384448853 /nfs/dbraw/zinc/44/88/53/384448853.db2.gz GWSPMQCRTHVQOC-ZYHUDNBSSA-N 1 0 237.347 2.431 10 0 BEAERO CC[N@H+](CCC(C)=O)Cc1ccccc1 ZINC000047979906 384470665 /nfs/dbraw/zinc/47/06/65/384470665.db2.gz DHFWUCYFGXQBPD-UHFFFAOYSA-N 1 0 205.301 2.488 10 0 BEAERO CC(C)(C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000149028439 384474870 /nfs/dbraw/zinc/47/48/70/384474870.db2.gz NMGUPMDNUUDQQA-UHFFFAOYSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000122349863 384478472 /nfs/dbraw/zinc/47/84/72/384478472.db2.gz JMKLEQKXMKSRKH-CYBMUJFWSA-N 1 0 219.332 2.137 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000335676975 384484250 /nfs/dbraw/zinc/48/42/50/384484250.db2.gz AFGGHWGVULJDSB-KPFVRQRISA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)c(Cl)c1 ZINC000037713440 384514003 /nfs/dbraw/zinc/51/40/03/384514003.db2.gz GYGJVMRKQBJKNR-MRVPVSSYSA-N 1 0 230.714 2.479 10 0 BEAERO C[C@H]([NH3+])c1csc([C@H]2CCSC2)n1 ZINC000258273213 384551558 /nfs/dbraw/zinc/55/15/58/384551558.db2.gz YAHIJISSFQQXMM-BQBZGAKWSA-N 1 0 214.359 2.383 10 0 BEAERO CC[N@H+](CCO)Cc1ccc2ccccc2n1 ZINC000049754823 384565151 /nfs/dbraw/zinc/56/51/51/384565151.db2.gz NDEIKACTSKDWGR-UHFFFAOYSA-N 1 0 230.311 2.049 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000373761745 384609538 /nfs/dbraw/zinc/60/95/38/384609538.db2.gz BDMKLINPBUUTOF-IGJPJIBNSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)cc1C ZINC000050394559 384621031 /nfs/dbraw/zinc/62/10/31/384621031.db2.gz JQBRJQMSLVJHLI-OCCSQVGLSA-N 1 0 246.354 2.233 10 0 BEAERO C[C@@H]1CCC[C@@H](C[NH2+]CC2CC(O)C2)C1 ZINC000084447250 384621807 /nfs/dbraw/zinc/62/18/07/384621807.db2.gz NWJRPMIDWLUJLI-OKZRHMCRSA-N 1 0 211.349 2.173 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000084447245 384622115 /nfs/dbraw/zinc/62/21/15/384622115.db2.gz QTGBZLJDBOVSCW-LJMKDGOPSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccsc1 ZINC000084447101 384624963 /nfs/dbraw/zinc/62/49/63/384624963.db2.gz KZCAPEGJRJRJKS-FKTRJACZSA-N 1 0 211.330 2.170 10 0 BEAERO CCC[C@@](C)([NH3+])c1nc(-c2cccnc2)no1 ZINC000036865015 384626511 /nfs/dbraw/zinc/62/65/11/384626511.db2.gz SECKWRRWZUDEBK-GFCCVEGCSA-N 1 0 232.287 2.106 10 0 BEAERO [NH3+]Cc1ccc(CO[C@@H]2CC(=O)C23CCC3)cc1 ZINC000098095956 384593902 /nfs/dbraw/zinc/59/39/02/384593902.db2.gz MSQZDIXYFVQWAQ-CQSZACIVSA-N 1 0 245.322 2.174 10 0 BEAERO Cc1nc(C[C@H]2CCC[N@@H+](C(C)C)C2)no1 ZINC000103230661 384601439 /nfs/dbraw/zinc/60/14/39/384601439.db2.gz QDTYLFWPGZRPMD-LLVKDONJSA-N 1 0 223.320 2.041 10 0 BEAERO CC(C)CCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104209804 384670731 /nfs/dbraw/zinc/67/07/31/384670731.db2.gz HLSUSZIQWCAGNR-FRRDWIJNSA-N 1 0 240.391 2.173 10 0 BEAERO CC(C)COc1ncc(C[NH3+])cc1Cl ZINC000051525551 384671634 /nfs/dbraw/zinc/67/16/34/384671634.db2.gz FNKSKYRUJIGQDY-UHFFFAOYSA-N 1 0 214.696 2.229 10 0 BEAERO C[C@H]1Oc2c(cc(F)cc2Cl)[C@@H]1[NH3+] ZINC000043635491 384725933 /nfs/dbraw/zinc/72/59/33/384725933.db2.gz HHIWXEYYJQJZBP-SPGJFGJESA-N 1 0 201.628 2.260 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)C ZINC000043252051 384683383 /nfs/dbraw/zinc/68/33/83/384683383.db2.gz GAEBPYCKCZAEQC-MUWHJKNJSA-N 1 0 218.753 2.351 10 0 BEAERO c1ccc2sc(OC[C@H]3CCC[NH2+]3)nc2c1 ZINC000051866230 384694823 /nfs/dbraw/zinc/69/48/23/384694823.db2.gz GWPRPYHZEPCZOH-SECBINFHSA-N 1 0 234.324 2.427 10 0 BEAERO Clc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC000051869849 384697569 /nfs/dbraw/zinc/69/75/69/384697569.db2.gz KKYPJULWOVHENQ-UHFFFAOYSA-N 1 0 226.707 2.113 10 0 BEAERO Cc1cc(C)nc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000051870930 384698071 /nfs/dbraw/zinc/69/80/71/384698071.db2.gz VOHRICQFWRIMEJ-GFCCVEGCSA-N 1 0 235.331 2.004 10 0 BEAERO c1ccc2[nH]c(OCC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000051918746 384701371 /nfs/dbraw/zinc/70/13/71/384701371.db2.gz HAZQDTFVVLIESA-LLVKDONJSA-N 1 0 245.326 2.331 10 0 BEAERO C[C@]1(c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000052126150 384717995 /nfs/dbraw/zinc/71/79/95/384717995.db2.gz YYQMPFXOAZURNL-NXEZZACHSA-N 1 0 226.117 2.438 10 0 BEAERO C[C@H]1Oc2ccc(Br)cc2[C@H]1[NH3+] ZINC000043635065 384721599 /nfs/dbraw/zinc/72/15/99/384721599.db2.gz UKVOIDKDARSJLE-ANLVUFKYSA-N 1 0 228.089 2.230 10 0 BEAERO Cn1ccc(C[NH2+]CCC2=CCCC2)n1 ZINC000125980339 384722081 /nfs/dbraw/zinc/72/20/81/384722081.db2.gz ACOBMJJTEUPXPI-UHFFFAOYSA-N 1 0 205.305 2.010 10 0 BEAERO CC1CC(c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000518184041 384776686 /nfs/dbraw/zinc/77/66/86/384776686.db2.gz VXFHPVDVEXRYNL-UHFFFAOYSA-N 1 0 221.304 2.311 10 0 BEAERO Cc1ccc(F)cc1C[NH2+][C@H]1CCO[C@H]1C ZINC000163254117 384778760 /nfs/dbraw/zinc/77/87/60/384778760.db2.gz BCVLCIBXPCTKEW-GWCFXTLKSA-N 1 0 223.291 2.401 10 0 BEAERO Cc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000163253815 384778924 /nfs/dbraw/zinc/77/89/24/384778924.db2.gz BCVLCIBXPCTKEW-ZWNOBZJWSA-N 1 0 223.291 2.401 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(C)CCCCc1ccccc1 ZINC000054075256 384730657 /nfs/dbraw/zinc/73/06/57/384730657.db2.gz RSWYOELKZLOFQR-CYBMUJFWSA-N 1 0 248.370 2.076 10 0 BEAERO N[C@@H](C[NH3+])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000044469536 384733017 /nfs/dbraw/zinc/73/30/17/384733017.db2.gz MAXAAORCIUQUFU-QMMMGPOBSA-N 1 0 238.640 2.317 10 0 BEAERO C[C@@H]([NH2+]CCCCCF)[C@@H]1CCCO1 ZINC000308487330 384744665 /nfs/dbraw/zinc/74/46/65/384744665.db2.gz PHLRJJBSAGNUTM-MNOVXSKESA-N 1 0 203.301 2.283 10 0 BEAERO CN(c1ccc(Cl)cc1C[NH3+])C1CC1 ZINC000052856648 384750046 /nfs/dbraw/zinc/75/00/46/384750046.db2.gz FDOLDHDFLFQFQA-UHFFFAOYSA-N 1 0 210.708 2.397 10 0 BEAERO Cc1cnc(N2CCC(CC[NH3+])CC2)s1 ZINC000076674615 384765501 /nfs/dbraw/zinc/76/55/01/384765501.db2.gz OXESOMNTQSUYHD-UHFFFAOYSA-N 1 0 225.361 2.017 10 0 BEAERO CC[C@@H]([NH2+]CCCOCCOC)C(C)(C)C ZINC000310005787 384781919 /nfs/dbraw/zinc/78/19/19/384781919.db2.gz GPAVHWPZIBRAHL-GFCCVEGCSA-N 1 0 231.380 2.454 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H]1CCc2nccn2C1 ZINC000310019155 384786115 /nfs/dbraw/zinc/78/61/15/384786115.db2.gz MJCLAZKNDWXOOD-RYUDHWBXSA-N 1 0 221.348 2.224 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000048775641 384786135 /nfs/dbraw/zinc/78/61/35/384786135.db2.gz LGVOEMIWRAXDSI-MRVPVSSYSA-N 1 0 226.707 2.195 10 0 BEAERO CC[N@H+](C)Cc1cc(OC)ccc1OCOC ZINC000126306700 384786444 /nfs/dbraw/zinc/78/64/44/384786444.db2.gz GWNRTFMDLFHYEL-UHFFFAOYSA-N 1 0 239.315 2.130 10 0 BEAERO Cc1c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cnn1C ZINC000403827581 384873899 /nfs/dbraw/zinc/87/38/99/384873899.db2.gz MHXISXYIBHLRIH-NQBHXWOUSA-N 1 0 219.332 2.007 10 0 BEAERO CC[C@H]([NH2+]C[C@H](C)CCO)C(C)(C)C ZINC000308626031 384876146 /nfs/dbraw/zinc/87/61/46/384876146.db2.gz WIGFHUHNBNHYGK-MNOVXSKESA-N 1 0 201.354 2.419 10 0 BEAERO Fc1cccc2c1C=CC1(CC[NH2+]CC1)O2 ZINC000038221409 384850415 /nfs/dbraw/zinc/85/04/15/384850415.db2.gz VNXLSMRIMYYCOW-UHFFFAOYSA-N 1 0 219.259 2.354 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000105437103 384868021 /nfs/dbraw/zinc/86/80/21/384868021.db2.gz XMOMPUVJHGXNEG-ZWNOBZJWSA-N 1 0 215.296 2.460 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)[C@H](C)CO ZINC000123262505 384891558 /nfs/dbraw/zinc/89/15/58/384891558.db2.gz FGXFSVVMIJFYQD-VXGBXAGGSA-N 1 0 244.338 2.341 10 0 BEAERO c1c2ccccc2oc1CNC[C@@H]1CC[NH2+]C1 ZINC000398290149 384891841 /nfs/dbraw/zinc/89/18/41/384891841.db2.gz LCPPTCMDIWYSDN-LLVKDONJSA-N 1 0 230.311 2.132 10 0 BEAERO CCn1c(N)[nH+]c2cccc(Br)c21 ZINC000217061728 384902418 /nfs/dbraw/zinc/90/24/18/384902418.db2.gz HWPOTSKZHPXSFF-UHFFFAOYSA-N 1 0 240.104 2.401 10 0 BEAERO COC1(C[N@@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000361565682 384910798 /nfs/dbraw/zinc/91/07/98/384910798.db2.gz NVNRNYZEUGQCEE-CYBMUJFWSA-N 1 0 241.375 2.183 10 0 BEAERO COC(=O)[C@@H](CC(C)C)[NH+]1CCC2(CC2)CC1 ZINC000586768393 384913831 /nfs/dbraw/zinc/91/38/31/384913831.db2.gz BRPSVNDCGSTNHF-GFCCVEGCSA-N 1 0 239.359 2.450 10 0 BEAERO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000586768395 384913943 /nfs/dbraw/zinc/91/39/43/384913943.db2.gz DMXYYGOFEUDFQD-NXEZZACHSA-N 1 0 249.301 2.161 10 0 BEAERO CC(C)(C)OC(=O)[C@H](N)Cc1cccc(F)c1 ZINC000056955810 384923593 /nfs/dbraw/zinc/92/35/93/384923593.db2.gz FNGZHCKWHLJNHR-LLVKDONJSA-N 1 0 239.290 2.037 10 0 BEAERO CO[C@H](C[N@@H+]1CC[C@H](CCO)C1)c1ccccc1 ZINC000338547462 384934282 /nfs/dbraw/zinc/93/42/82/384934282.db2.gz ONHRFYFDBRZIMM-UKRRQHHQSA-N 1 0 249.354 2.078 10 0 BEAERO c1ccc([C@H]2CC[C@@H]([NH2+]C3COC3)C2)cc1 ZINC000367897340 384941062 /nfs/dbraw/zinc/94/10/62/384941062.db2.gz SIKZUOXPXUVYKH-QWHCGFSZSA-N 1 0 217.312 2.311 10 0 BEAERO CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000258910546 384943623 /nfs/dbraw/zinc/94/36/23/384943623.db2.gz IFHVIQRGCNKDGL-GFCCVEGCSA-N 1 0 210.365 2.154 10 0 BEAERO CCSCC[NH2+][C@H]1COc2ccccc21 ZINC000128969735 384969274 /nfs/dbraw/zinc/96/92/74/384969274.db2.gz HCYRTHIALLWZDY-NSHDSACASA-N 1 0 223.341 2.463 10 0 BEAERO CC[N@H+](CCO)Cc1cnc(CC(C)C)s1 ZINC000127976709 384977214 /nfs/dbraw/zinc/97/72/14/384977214.db2.gz VRXAOTQPUGQGDV-UHFFFAOYSA-N 1 0 242.388 2.156 10 0 BEAERO CCSCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000156818526 384981620 /nfs/dbraw/zinc/98/16/20/384981620.db2.gz VNQPGWWANGTAQI-CHWSQXEVSA-N 1 0 243.416 2.367 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC000404424384 384992666 /nfs/dbraw/zinc/99/26/66/384992666.db2.gz WZICHOFVRDZSOV-LLVKDONJSA-N 1 0 239.388 2.025 10 0 BEAERO [NH3+]Cc1ccc(OCc2ccccc2)nc1 ZINC000019258310 384993518 /nfs/dbraw/zinc/99/35/18/384993518.db2.gz ANVOAIJCTNWOGW-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000086256439 385004899 /nfs/dbraw/zinc/00/48/99/385004899.db2.gz LQFLSBQHIUCFQH-CHWSQXEVSA-N 1 0 222.332 2.165 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N1CCC(C(C)(C)C)CC1 ZINC000050348681 385007311 /nfs/dbraw/zinc/00/73/11/385007311.db2.gz IIWLBHQUWIHFBA-LLVKDONJSA-N 1 0 226.364 2.008 10 0 BEAERO CCC1(O)CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000644613423 385013726 /nfs/dbraw/zinc/01/37/26/385013726.db2.gz JQCJBCWYCUVFLX-LXVYMNJGSA-N 1 0 243.391 2.067 10 0 BEAERO Cc1cc(N)cc2nc(-c3cc[n+](C)cc3)oc21 ZINC000226777799 385053311 /nfs/dbraw/zinc/05/33/11/385053311.db2.gz RCKLKWQTNGGBKZ-UHFFFAOYSA-N 1 0 240.286 2.210 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000128656382 385058555 /nfs/dbraw/zinc/05/85/55/385058555.db2.gz QYAROGPMPSOZJB-JQWIXIFHSA-N 1 0 234.343 2.386 10 0 BEAERO Cc1ccc([C@@H](O)C[NH2+][C@H]2CCCSC2)o1 ZINC000128292159 385023775 /nfs/dbraw/zinc/02/37/75/385023775.db2.gz CGSPABJIUUYILS-QWRGUYRKSA-N 1 0 241.356 2.107 10 0 BEAERO Cc1c[nH]c(C[N@H+]2CCCC[C@@H]2C)c(C)c1=O ZINC000058823345 385025392 /nfs/dbraw/zinc/02/53/92/385025392.db2.gz WYIVTNVEIOLUON-NSHDSACASA-N 1 0 234.343 2.366 10 0 BEAERO C[Si](C)(C)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000377272569 385026864 /nfs/dbraw/zinc/02/68/64/385026864.db2.gz DYIHTOKEPIQDGV-QWRGUYRKSA-N 1 0 213.397 2.021 10 0 BEAERO [NH3+]C1(c2ccc(Cl)c(Cl)c2)COC1 ZINC000258777256 385030065 /nfs/dbraw/zinc/03/00/65/385030065.db2.gz UJQJXNAEXSTLAQ-UHFFFAOYSA-N 1 0 218.083 2.178 10 0 BEAERO CO[C@H]1CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000257174325 385033158 /nfs/dbraw/zinc/03/31/58/385033158.db2.gz FQKVWLGGLKQPFP-AWEZNQCLSA-N 1 0 246.354 2.473 10 0 BEAERO CCCCCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377338011 385042691 /nfs/dbraw/zinc/04/26/91/385042691.db2.gz SDXISTXKCTYLON-CHWSQXEVSA-N 1 0 238.375 2.025 10 0 BEAERO CN(CC[NH3+])[C@@H]1CCCc2sccc21 ZINC000061330066 385113874 /nfs/dbraw/zinc/11/38/74/385113874.db2.gz RQRQPLSBXJINQF-SNVBAGLBSA-N 1 0 210.346 2.016 10 0 BEAERO CNc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000031978464 385116892 /nfs/dbraw/zinc/11/68/92/385116892.db2.gz ZMDDOSWQDIJCRL-UHFFFAOYSA-N 1 0 220.316 2.203 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)CCc1cccs1 ZINC000119426643 385094644 /nfs/dbraw/zinc/09/46/44/385094644.db2.gz ZKLLUFHXPHKHDU-LBPRGKRZSA-N 1 0 227.373 2.383 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc21 ZINC000310849642 385195106 /nfs/dbraw/zinc/19/51/06/385195106.db2.gz OEFGPKZURMUFLU-HONMWMINSA-N 1 0 244.338 2.103 10 0 BEAERO Fc1c(Cl)cccc1CNC[C@H]1CC[NH2+]C1 ZINC000398343758 385199101 /nfs/dbraw/zinc/19/91/01/385199101.db2.gz HZPAEURVHXLYNX-VIFPVBQESA-N 1 0 242.725 2.178 10 0 BEAERO CCCC[N@H+](CC)C[C@H](O)c1cccnc1 ZINC000062355355 385171253 /nfs/dbraw/zinc/17/12/53/385171253.db2.gz CUPHCFVOWQOAOC-ZDUSSCGKSA-N 1 0 222.332 2.237 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cnn(C)c1 ZINC000090175237 385214155 /nfs/dbraw/zinc/21/41/55/385214155.db2.gz XDCOKJUGXUTLML-HOSYDEDBSA-N 1 0 207.321 2.259 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cnccn1 ZINC000090175862 385215536 /nfs/dbraw/zinc/21/55/36/385215536.db2.gz LQJWFZFHHIIHQK-AXFHLTTASA-N 1 0 205.305 2.316 10 0 BEAERO Cc1cscc1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000306876790 385222599 /nfs/dbraw/zinc/22/25/99/385222599.db2.gz CBCWGMTZYUWFQV-NXEZZACHSA-N 1 0 210.346 2.466 10 0 BEAERO Cc1cnn([C@H]2CCC[N@H+](CCCF)C2)c1 ZINC000130330846 385240962 /nfs/dbraw/zinc/24/09/62/385240962.db2.gz KIUFVZCMKJGVGT-LBPRGKRZSA-N 1 0 225.311 2.188 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)N(C)C ZINC000308890897 385244938 /nfs/dbraw/zinc/24/49/38/385244938.db2.gz XOQAXJKCBLUUEA-UTUOFQBUSA-N 1 0 216.344 2.054 10 0 BEAERO CO[C@H]1CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000257177193 385203461 /nfs/dbraw/zinc/20/34/61/385203461.db2.gz DLGDEATZDDDOBY-AWEZNQCLSA-N 1 0 246.354 2.473 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)CSC)C1(C)C ZINC000308937069 385305637 /nfs/dbraw/zinc/30/56/37/385305637.db2.gz LDTYFBLSWWFBDX-GWOFURMSSA-N 1 0 231.405 2.387 10 0 BEAERO [NH3+]Cc1cc(F)ccc1-c1ccncc1 ZINC000047213112 385308096 /nfs/dbraw/zinc/30/80/96/385308096.db2.gz SSYJRNBHJJQKMA-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO C[C@H]([NH3+])c1cnn(CCc2ccccc2)c1 ZINC000054716869 385319071 /nfs/dbraw/zinc/31/90/71/385319071.db2.gz BLJBEROOUIARSZ-NSHDSACASA-N 1 0 215.300 2.146 10 0 BEAERO CNc1nc(C)ncc1OCc1ccccc1 ZINC000307604629 385319388 /nfs/dbraw/zinc/31/93/88/385319388.db2.gz WTDSJERSWPZHJG-UHFFFAOYSA-N 1 0 229.283 2.406 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000052274751 385270325 /nfs/dbraw/zinc/27/03/25/385270325.db2.gz OAUUHIYPGBQYHF-KOLCDFICSA-N 1 0 207.321 2.136 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@H]1CC1(C)C ZINC000308995835 385337833 /nfs/dbraw/zinc/33/78/33/385337833.db2.gz MNOWSFSQIDKBRG-YFKTTZPYSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C)cc1 ZINC000294988149 385361254 /nfs/dbraw/zinc/36/12/54/385361254.db2.gz KJDXTWUCCJFWRD-JSGCOSHPSA-N 1 0 219.328 2.340 10 0 BEAERO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCO[C@H]1C ZINC000309024297 385367083 /nfs/dbraw/zinc/36/70/83/385367083.db2.gz YZMXSGVWFCBFCZ-VGMNWLOBSA-N 1 0 225.254 2.484 10 0 BEAERO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1cccs1 ZINC000308973496 385327973 /nfs/dbraw/zinc/32/79/73/385327973.db2.gz FXBVJNLCVFOIQR-DCAQKATOSA-N 1 0 224.373 2.349 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(Cl)cn1 ZINC000165739854 385411523 /nfs/dbraw/zinc/41/15/23/385411523.db2.gz HNJQAWZCKVEGEU-YUMQZZPRSA-N 1 0 213.712 2.273 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000114473726 385416044 /nfs/dbraw/zinc/41/60/44/385416044.db2.gz BVKOTFYJFZHPOU-NSHDSACASA-N 1 0 209.337 2.216 10 0 BEAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC=CO2)cn1 ZINC000193879361 385416569 /nfs/dbraw/zinc/41/65/69/385416569.db2.gz GWGWRBPOIDZVSV-KBPBESRZSA-N 1 0 247.342 2.250 10 0 BEAERO Cc1ccc(CCC[NH2+][C@H]2C[C@H]2C)cn1 ZINC000309161812 385443830 /nfs/dbraw/zinc/44/38/30/385443830.db2.gz ZKRGGQZCGMWPJT-MFKMUULPSA-N 1 0 204.317 2.321 10 0 BEAERO Cc1ccc(C)c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170863367 385450780 /nfs/dbraw/zinc/45/07/80/385450780.db2.gz QVMALDOLYJHXHA-ZDUSSCGKSA-N 1 0 246.354 2.080 10 0 BEAERO C[C@H](O)CN1CCCC[C@@H]1c1nccs1 ZINC000194952304 385453757 /nfs/dbraw/zinc/45/37/57/385453757.db2.gz UJEQSUNLAJMXKO-VHSXEESVSA-N 1 0 226.345 2.051 10 0 BEAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000179059666 385438065 /nfs/dbraw/zinc/43/80/65/385438065.db2.gz FZDGGPYZWWRCAO-BXUZGUMPSA-N 1 0 246.354 2.349 10 0 BEAERO Cn1ccnc1-c1ccc(Cl)c(O)c1 ZINC000156748868 385467062 /nfs/dbraw/zinc/46/70/62/385467062.db2.gz OEMQNZWGDKZVME-UHFFFAOYSA-N 1 0 208.648 2.446 10 0 BEAERO CCCCCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1C)C(C)C ZINC000111268869 385498248 /nfs/dbraw/zinc/49/82/48/385498248.db2.gz IWQDJUWJELEPJL-QWHCGFSZSA-N 1 0 240.391 2.269 10 0 BEAERO OC[C@H]1C[NH2+][C@@H](c2ccccc2C(F)(F)F)C1 ZINC000258061298 385528925 /nfs/dbraw/zinc/52/89/25/385528925.db2.gz UDPADZMISZGNAA-LDYMZIIASA-N 1 0 245.244 2.348 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccsc1 ZINC000180606419 385533035 /nfs/dbraw/zinc/53/30/35/385533035.db2.gz MSOAHCLTHBKMPR-KOLCDFICSA-N 1 0 248.355 2.005 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000036779458 385534794 /nfs/dbraw/zinc/53/47/94/385534794.db2.gz INXCPIBQZHVOJV-UWVGGRQHSA-N 1 0 244.132 2.220 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282244388 385539218 /nfs/dbraw/zinc/53/92/18/385539218.db2.gz JFOJGWWCQVZQOX-OBJOEFQTSA-N 1 0 246.354 2.313 10 0 BEAERO [NH3+][C@H]1C[C@]12CCc1ccc(Br)cc12 ZINC000258179755 385546341 /nfs/dbraw/zinc/54/63/41/385546341.db2.gz HCPSLGJNYBFEFE-QWRGUYRKSA-N 1 0 238.128 2.364 10 0 BEAERO CCOC(=O)c1cccc([C@@H]2CC[N@H+](C)C2)c1 ZINC000259524262 385546672 /nfs/dbraw/zinc/54/66/72/385546672.db2.gz PWEBFCFMPWUSRL-CYBMUJFWSA-N 1 0 233.311 2.282 10 0 BEAERO Cc1nc(N2CCC(C)([NH3+])CC2)sc1C ZINC000643029323 385524108 /nfs/dbraw/zinc/52/41/08/385524108.db2.gz PIOOCZIVAMLZLZ-UHFFFAOYSA-N 1 0 225.361 2.078 10 0 BEAERO CC1([NH3+])CCN(c2ccncc2Cl)CC1 ZINC000643029269 385524311 /nfs/dbraw/zinc/52/43/11/385524311.db2.gz NTNXLVOTRJTOCS-UHFFFAOYSA-N 1 0 225.723 2.053 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000054072743 385596141 /nfs/dbraw/zinc/59/61/41/385596141.db2.gz DUGXFOUJNZYZOF-RKDXNWHRSA-N 1 0 240.372 2.150 10 0 BEAERO Cc1ccsc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037164898 385597373 /nfs/dbraw/zinc/59/73/73/385597373.db2.gz BUGILJPPLUOZDB-WDEREUQCSA-N 1 0 225.357 2.450 10 0 BEAERO COc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000037164375 385597537 /nfs/dbraw/zinc/59/75/37/385597537.db2.gz WSKDJMPTGAXBLN-QWHCGFSZSA-N 1 0 235.327 2.088 10 0 BEAERO COc1ccccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037164431 385597662 /nfs/dbraw/zinc/59/76/62/385597662.db2.gz BMUIEJDPPHFNOQ-STQMWFEESA-N 1 0 235.327 2.088 10 0 BEAERO CCOc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037164410 385597913 /nfs/dbraw/zinc/59/79/13/385597913.db2.gz KAHTZXVXQYITQY-KBPBESRZSA-N 1 0 249.354 2.478 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309430244 385579031 /nfs/dbraw/zinc/57/90/31/385579031.db2.gz GBYACTOQWSCSDM-POQQGIQPSA-N 1 0 223.360 2.437 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1([S@@](C)=O)CC1 ZINC000309439190 385582336 /nfs/dbraw/zinc/58/23/36/385582336.db2.gz IADIXYPTGFUHIK-XHBSWPGZSA-N 1 0 243.416 2.456 10 0 BEAERO [NH3+]Cc1nc(-c2ccc(Cl)s2)c[nH]1 ZINC000036870902 385587723 /nfs/dbraw/zinc/58/77/23/385587723.db2.gz UGISRILSWYHVRN-UHFFFAOYSA-N 1 0 213.693 2.250 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000108160615 385616111 /nfs/dbraw/zinc/61/61/11/385616111.db2.gz HUFUYZHEZNBJSM-NEPJUHHUSA-N 1 0 226.364 2.022 10 0 BEAERO c1nc(C[NH2+]C[C@H]2CC23CCOCC3)cs1 ZINC000336650823 385620000 /nfs/dbraw/zinc/62/00/00/385620000.db2.gz DXIZOBHISFCNAY-SNVBAGLBSA-N 1 0 238.356 2.049 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CC[C@@H]2CCOC2)o1 ZINC000309504497 385643002 /nfs/dbraw/zinc/64/30/02/385643002.db2.gz VOBLDXDPGWCTPR-WDEREUQCSA-N 1 0 224.304 2.060 10 0 BEAERO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)C1CCCC1 ZINC000184615192 385684759 /nfs/dbraw/zinc/68/47/59/385684759.db2.gz DANGLUNKKHVJIM-SNVBAGLBSA-N 1 0 248.374 2.361 10 0 BEAERO Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCF)n1 ZINC000309553255 385686760 /nfs/dbraw/zinc/68/67/60/385686760.db2.gz GRTTYHQXFWPVOD-ZYHUDNBSSA-N 1 0 225.311 2.038 10 0 BEAERO CO[C@H](C)CC[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000336735032 385692715 /nfs/dbraw/zinc/69/27/15/385692715.db2.gz LLIVGSDKKSXBLW-KXNHARMFSA-N 1 0 229.364 2.061 10 0 BEAERO CC[C@H](Cn1cncn1)[NH2+][C@@H](CC)C(C)C ZINC000336735804 385717832 /nfs/dbraw/zinc/71/78/32/385717832.db2.gz MCMYKJPWWCLLKU-NEPJUHHUSA-N 1 0 224.352 2.081 10 0 BEAERO C[C@]1(O)CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000253059965 385666913 /nfs/dbraw/zinc/66/69/13/385666913.db2.gz CSMJFWNRCOFKRJ-HIFRSBDPSA-N 1 0 231.339 2.173 10 0 BEAERO Cc1nnc2n1CCC[C@@H]2[NH2+][C@H](C)C(C)C ZINC000309644668 385768092 /nfs/dbraw/zinc/76/80/92/385768092.db2.gz VPAHFVIJAALQRK-KOLCDFICSA-N 1 0 222.336 2.056 10 0 BEAERO [NH3+]CCc1ccc(Br)c(F)c1F ZINC000258360164 385777239 /nfs/dbraw/zinc/77/72/39/385777239.db2.gz ZCKYICFSVSABOF-UHFFFAOYSA-N 1 0 236.059 2.229 10 0 BEAERO CC[C@@H]([NH2+]C[C@H](C)N(C)C)C(C)(C)C ZINC000336654239 385721110 /nfs/dbraw/zinc/72/11/10/385721110.db2.gz MRPRYQLQMMHVRG-WDEREUQCSA-N 1 0 200.370 2.351 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000309696614 385798201 /nfs/dbraw/zinc/79/82/01/385798201.db2.gz LEDIEYPRUPFETC-NEPJUHHUSA-N 1 0 221.348 2.396 10 0 BEAERO CC[C@H](COC)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000336738051 385829218 /nfs/dbraw/zinc/82/92/18/385829218.db2.gz NZIMLMZDRTZSRP-NQBHXWOUSA-N 1 0 229.364 2.205 10 0 BEAERO CC1(Nc2cc(N)[nH+]cc2Br)CC1 ZINC000307016348 385836373 /nfs/dbraw/zinc/83/63/73/385836373.db2.gz VAWVRNFVORBBLN-UHFFFAOYSA-N 1 0 242.120 2.391 10 0 BEAERO CC(=O)N1CC[C@H](c2c[nH]cn2)c2ccccc21 ZINC000616589564 385795394 /nfs/dbraw/zinc/79/53/94/385795394.db2.gz RDTUHBRUNQKRAP-NSHDSACASA-N 1 0 241.294 2.298 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000336720879 385888994 /nfs/dbraw/zinc/88/89/94/385888994.db2.gz ZHYRTXBMELPBQV-MROQNXINSA-N 1 0 242.432 2.199 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000336720882 385889526 /nfs/dbraw/zinc/88/95/26/385889526.db2.gz ZHYRTXBMELPBQV-ZDEQEGDKSA-N 1 0 242.432 2.199 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(c2nccs2)CS1 ZINC000575533441 385892654 /nfs/dbraw/zinc/89/26/54/385892654.db2.gz BRQRVOBVKPPMCY-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@H]1CC[C@]2(CS1)[NH2+]CCCS2 ZINC000575534667 385899175 /nfs/dbraw/zinc/89/91/75/385899175.db2.gz LPCCPBLPJSVQSA-IUCAKERBSA-N 1 0 203.376 2.325 10 0 BEAERO CN[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414964769 385910049 /nfs/dbraw/zinc/91/00/49/385910049.db2.gz CDSCXATVACSGQP-WXHSDQCUSA-N 1 0 210.365 2.153 10 0 BEAERO Fc1ccc(CO[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051782439 385915762 /nfs/dbraw/zinc/91/57/62/385915762.db2.gz YKJFAAOBFHHORW-JTQLQIEISA-N 1 0 229.682 2.358 10 0 BEAERO Fc1ccc(F)c(S[C@H]2CC[NH2+]C2)c1 ZINC000051784110 385915778 /nfs/dbraw/zinc/91/57/78/385915778.db2.gz HRKLYNDZLLHWQG-QMMMGPOBSA-N 1 0 215.268 2.419 10 0 BEAERO CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336725843 385862823 /nfs/dbraw/zinc/86/28/23/385862823.db2.gz GLQJAXFHDBDECD-QJPTWQEYSA-N 1 0 217.328 2.265 10 0 BEAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc2ccccc2n1 ZINC000216237808 385864061 /nfs/dbraw/zinc/86/40/61/385864061.db2.gz GIPIDOVWVLKPFA-VXGBXAGGSA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H](Cn1cccn1)[NH2+]CCC1=CCCC1 ZINC000123232864 385864621 /nfs/dbraw/zinc/86/46/21/385864621.db2.gz QGVZJBOPYFMUJA-LBPRGKRZSA-N 1 0 219.332 2.362 10 0 BEAERO CCOC(=O)c1ccccc1[C@H]1CC[N@H+](C)C1 ZINC000260465618 385867211 /nfs/dbraw/zinc/86/72/11/385867211.db2.gz RKLFFWDNPBIXSE-NSHDSACASA-N 1 0 233.311 2.282 10 0 BEAERO CC(C)(C[NH3+])[C@H](O)c1occc1Br ZINC000232514305 385873203 /nfs/dbraw/zinc/87/32/03/385873203.db2.gz GGGCMNXLNSLHKG-MRVPVSSYSA-N 1 0 248.120 2.060 10 0 BEAERO c1nc2c(s1)CCC[C@@H]2C[NH2+]C1CC1 ZINC000232470933 385936010 /nfs/dbraw/zinc/93/60/10/385936010.db2.gz OVMQCCBHKQPPFK-MRVPVSSYSA-N 1 0 208.330 2.315 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)[C@H]1CC1(C)C ZINC000414091728 385957150 /nfs/dbraw/zinc/95/71/50/385957150.db2.gz DXVCWNZYUSMKRK-WOPDTQHZSA-N 1 0 238.375 2.022 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000336742369 385963376 /nfs/dbraw/zinc/96/33/76/385963376.db2.gz RXLFNFCAHDOZTO-OLZOCXBDSA-N 1 0 221.348 2.479 10 0 BEAERO CC1(C)CSC[C@@H]([NH2+]C2CSC2)C1 ZINC000575545130 385966849 /nfs/dbraw/zinc/96/68/49/385966849.db2.gz IQQJNXPXHQVACS-QMMMGPOBSA-N 1 0 217.403 2.223 10 0 BEAERO CC1(C)CSC[C@H]([NH2+]C2CSC2)C1 ZINC000575545129 385968133 /nfs/dbraw/zinc/96/81/33/385968133.db2.gz IQQJNXPXHQVACS-MRVPVSSYSA-N 1 0 217.403 2.223 10 0 BEAERO Cc1cc(Cl)ncc1NC[C@@H](C)C[NH3+] ZINC000307671879 385973906 /nfs/dbraw/zinc/97/39/06/385973906.db2.gz XPUMMMOUBIBCNL-ZETCQYMHSA-N 1 0 213.712 2.050 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)N(C)C ZINC000336770231 386010428 /nfs/dbraw/zinc/01/04/28/386010428.db2.gz VKWFQQKELARCOF-UPJWGTAASA-N 1 0 212.381 2.495 10 0 BEAERO CCSCC[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336770323 386015056 /nfs/dbraw/zinc/01/50/56/386015056.db2.gz VRVGAHDFQYPCJA-NSHDSACASA-N 1 0 229.389 2.146 10 0 BEAERO CC[C@H]([NH2+]C[C@@H]1CCCN1C)C(C)(C)C ZINC000336770807 386028922 /nfs/dbraw/zinc/02/89/22/386028922.db2.gz VYLRVWBIKZTKCF-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000129133613 386031348 /nfs/dbraw/zinc/03/13/48/386031348.db2.gz QNRPJBWPSZUDDJ-GFCCVEGCSA-N 1 0 227.311 2.033 10 0 BEAERO C[NH2+][C@H]1COc2c1cc(F)cc2Cl ZINC000037901966 386104310 /nfs/dbraw/zinc/10/43/10/386104310.db2.gz MLDYIOLJWFRWOL-QMMMGPOBSA-N 1 0 201.628 2.132 10 0 BEAERO [NH3+]C[C@@H]1COc2cc(Cl)c(Cl)cc21 ZINC000606304360 386079904 /nfs/dbraw/zinc/07/99/04/386079904.db2.gz XILOKICIPDPZLV-RXMQYKEDSA-N 1 0 218.083 2.428 10 0 BEAERO [NH3+]C[C@H]1COc2cc(Cl)c(Cl)cc21 ZINC000606304361 386080152 /nfs/dbraw/zinc/08/01/52/386080152.db2.gz XILOKICIPDPZLV-YFKPBYRVSA-N 1 0 218.083 2.428 10 0 BEAERO C[C@H]1CC[C@]([NH3+])(c2ccns2)CS1 ZINC000575567814 386097590 /nfs/dbraw/zinc/09/75/90/386097590.db2.gz AGLAWHSYLLZHLI-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1C[C@H]1CO ZINC000382373401 386142244 /nfs/dbraw/zinc/14/22/44/386142244.db2.gz HEXHGKYQJXTSJN-WCFLWFBJSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H](CC[NH2+]CC1CCCCC1)[S@](C)=O ZINC000125035316 386215723 /nfs/dbraw/zinc/21/57/23/386215723.db2.gz VKISBUVCMVHNNT-XHDPSFHLSA-N 1 0 231.405 2.313 10 0 BEAERO C[C@H]1C[C@]1([NH3+])Cc1coc(Br)c1 ZINC000575582676 386249878 /nfs/dbraw/zinc/24/98/78/386249878.db2.gz QHCIJQLMDLPJJU-RCOVLWMOSA-N 1 0 230.105 2.322 10 0 BEAERO C[C@H]([NH3+])/C=C/c1ccncc1Br ZINC000575582669 386250155 /nfs/dbraw/zinc/25/01/55/386250155.db2.gz GARBFZDVPMHNLQ-AIYRYJHASA-N 1 0 227.105 2.205 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1nc2ccccc2[nH]1 ZINC000111830344 386252255 /nfs/dbraw/zinc/25/22/55/386252255.db2.gz JLKGMNIPHSMSJX-JTQLQIEISA-N 1 0 232.331 2.348 10 0 BEAERO Cc1ccc(CNC2=[NH+][C@H](C)CS2)o1 ZINC000053040794 386199379 /nfs/dbraw/zinc/19/93/79/386199379.db2.gz YVPLJZFBBYTAHH-SSDOTTSWSA-N 1 0 210.302 2.169 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)c(C)c1 ZINC000647944149 386273572 /nfs/dbraw/zinc/27/35/72/386273572.db2.gz TVJQJCCHFUXPMS-UPJWGTAASA-N 1 0 246.354 2.218 10 0 BEAERO C[C@H](O)CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000336683155 386344657 /nfs/dbraw/zinc/34/46/57/386344657.db2.gz SOVKHDUHGBVGOS-QWRGUYRKSA-N 1 0 240.372 2.441 10 0 BEAERO Cc1cccc(NC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000335268900 386351207 /nfs/dbraw/zinc/35/12/07/386351207.db2.gz KBNJRNYEBZYVRY-NWDGAFQWSA-N 1 0 247.342 2.257 10 0 BEAERO [NH3+]Cc1cnn(Cc2ccc(Cl)s2)c1 ZINC000063169633 386329416 /nfs/dbraw/zinc/32/94/16/386329416.db2.gz JZUPFAXTYDZIPN-UHFFFAOYSA-N 1 0 227.720 2.105 10 0 BEAERO C[C@@H]1C[C@H](C)C[C@@]([NH3+])(C(=O)OC(C)(C)C)C1 ZINC000521401012 386449236 /nfs/dbraw/zinc/44/92/36/386449236.db2.gz VGXBIEBGSDJOHR-DDFAGTSDSA-N 1 0 227.348 2.482 10 0 BEAERO Cc1nocc1C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000339387130 386399362 /nfs/dbraw/zinc/39/93/62/386399362.db2.gz DXEPVVWLRNDIGU-NXEZZACHSA-N 1 0 238.331 2.276 10 0 BEAERO Cc1cccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399158358 386431851 /nfs/dbraw/zinc/43/18/51/386431851.db2.gz AUMOUROEOFXFQB-JSGCOSHPSA-N 1 0 219.328 2.340 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCc1ccccc1 ZINC000399286461 386484451 /nfs/dbraw/zinc/48/44/51/386484451.db2.gz PTOSZUDCBQNVJB-JSGCOSHPSA-N 1 0 219.328 2.074 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000135198224 386489438 /nfs/dbraw/zinc/48/94/38/386489438.db2.gz ZIYJOIPGKRKJMH-ZIAGYGMSSA-N 1 0 246.354 2.191 10 0 BEAERO CSC1(C[NH2+]CCn2cc(C)cn2)CCC1 ZINC000290936030 386490551 /nfs/dbraw/zinc/49/05/51/386490551.db2.gz SQGWKNTXYHKOFJ-UHFFFAOYSA-N 1 0 239.388 2.067 10 0 BEAERO FC(F)(F)c1ccnc([C@H]2CC[NH2+]C2)c1 ZINC000238512097 386490913 /nfs/dbraw/zinc/49/09/13/386490913.db2.gz HXHFCNMWXXGQHU-ZETCQYMHSA-N 1 0 216.206 2.177 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1c(C)nn(C)c1C ZINC000165032493 386495812 /nfs/dbraw/zinc/49/58/12/386495812.db2.gz GMLUKWFFMOCGNS-WCQYABFASA-N 1 0 221.348 2.315 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1nc(C)ccc1O ZINC000165045641 386499438 /nfs/dbraw/zinc/49/94/38/386499438.db2.gz MKSSVAXMYQXDMT-QWRGUYRKSA-N 1 0 220.316 2.374 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCc1ccccc1 ZINC000399219396 386459033 /nfs/dbraw/zinc/45/90/33/386459033.db2.gz VRVPRGPQDOBQRT-DZGCQCFKSA-N 1 0 233.355 2.464 10 0 BEAERO C[C@@H]([NH2+]Cc1cc[nH]c1)c1cncc(F)c1 ZINC000336778363 386461172 /nfs/dbraw/zinc/46/11/72/386461172.db2.gz LEYUHQWPXOWWCW-SECBINFHSA-N 1 0 219.263 2.400 10 0 BEAERO CN(Cc1cccc(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911021 386532144 /nfs/dbraw/zinc/53/21/44/386532144.db2.gz DHUCZEZBIXYBEX-AWEZNQCLSA-N 1 0 236.334 2.257 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[S@](C)=O ZINC000336733597 386546271 /nfs/dbraw/zinc/54/62/71/386546271.db2.gz MMYBEGFGUWJKBU-FJJYHAOUSA-N 1 0 231.405 2.312 10 0 BEAERO CCN1CC[C@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319434314 386624914 /nfs/dbraw/zinc/62/49/14/386624914.db2.gz KMTHEZWMSXPDCT-ZDUSSCGKSA-N 1 0 240.391 2.020 10 0 BEAERO CCC[C@@H](C(=O)N(CCC)CCC)[NH+](C)C ZINC000179332858 386637934 /nfs/dbraw/zinc/63/79/34/386637934.db2.gz VHZDITLWNMFURF-LBPRGKRZSA-N 1 0 228.380 2.365 10 0 BEAERO C[C@H]1CC2(CCC2)C[N@@H+]1CCC(C)(C)O ZINC000335521341 386662165 /nfs/dbraw/zinc/66/21/65/386662165.db2.gz QSCHSPIDYMOHGZ-NSHDSACASA-N 1 0 211.349 2.412 10 0 BEAERO c1cc2c(s1)CCC[C@@H]2[NH2+]CCn1cncn1 ZINC000268807985 386665726 /nfs/dbraw/zinc/66/57/26/386665726.db2.gz IGUPTTMHEYRMFE-NSHDSACASA-N 1 0 248.355 2.007 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CCn2cncn2)c(C)c1 ZINC000268828664 386670606 /nfs/dbraw/zinc/67/06/06/386670606.db2.gz NVRVHZTVYQITIL-ZDUSSCGKSA-N 1 0 244.342 2.246 10 0 BEAERO CSC1([C@H]2[NH2+][C@@H](C)CCS2)CC1 ZINC000307596086 386748671 /nfs/dbraw/zinc/74/86/71/386748671.db2.gz LZJHJVZPLVTSOR-YUMQZZPRSA-N 1 0 203.376 2.323 10 0 BEAERO [NH3+]CCNc1ccsc1C(F)(F)F ZINC000307596439 386748984 /nfs/dbraw/zinc/74/89/84/386748984.db2.gz MIONNMRMSUFGNR-UHFFFAOYSA-N 1 0 210.224 2.138 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](COC)OC ZINC000336671645 386817924 /nfs/dbraw/zinc/81/79/24/386817924.db2.gz APKPYZWGRGFIHF-UPJWGTAASA-N 1 0 229.364 2.206 10 0 BEAERO [NH3+][C@@]1(c2cncs2)CCCSCC1 ZINC000575451589 386802505 /nfs/dbraw/zinc/80/25/05/386802505.db2.gz ZZKWFKKHLXQEQG-VIFPVBQESA-N 1 0 214.359 2.214 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1ncc(C)c(C)n1 ZINC000395413081 386827297 /nfs/dbraw/zinc/82/72/97/386827297.db2.gz ITKQSZYVKRWCDT-LLVKDONJSA-N 1 0 222.336 2.023 10 0 BEAERO FC(F)(F)CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334789878 386853752 /nfs/dbraw/zinc/85/37/52/386853752.db2.gz QNAGCGIRUPCMDO-ZJUUUORDSA-N 1 0 249.276 2.440 10 0 BEAERO FC(F)(F)CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334789877 386854686 /nfs/dbraw/zinc/85/46/86/386854686.db2.gz QNAGCGIRUPCMDO-VHSXEESVSA-N 1 0 249.276 2.440 10 0 BEAERO c1ccc2nc(N[C@H]3CC[NH2+]C3)ccc2c1 ZINC000052093907 386874719 /nfs/dbraw/zinc/87/47/19/386874719.db2.gz FJTGMADUHJEMTM-NSHDSACASA-N 1 0 213.284 2.009 10 0 BEAERO c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc1 ZINC000301832153 386881826 /nfs/dbraw/zinc/88/18/26/386881826.db2.gz TWLHVYGZBHSPBZ-CYZMBNFOSA-N 1 0 230.311 2.451 10 0 BEAERO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccco2)cn1 ZINC000116288931 386930738 /nfs/dbraw/zinc/93/07/38/386930738.db2.gz JFDJPVVJHBYAPP-LBPRGKRZSA-N 1 0 231.299 2.350 10 0 BEAERO c1coc([C@@H]2CCCN2Cc2ncc[nH]2)c1 ZINC000116293372 386932914 /nfs/dbraw/zinc/93/29/14/386932914.db2.gz KPQUZEOANFTKRJ-JTQLQIEISA-N 1 0 217.272 2.340 10 0 BEAERO [NH3+]Cc1nccc2cc(F)c(F)c(F)c21 ZINC000082768818 386944349 /nfs/dbraw/zinc/94/43/49/386944349.db2.gz DTYKVKMFEHZRCA-UHFFFAOYSA-N 1 0 212.174 2.111 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000323994743 386956756 /nfs/dbraw/zinc/95/67/56/386956756.db2.gz LZRXAUNDRPSIMJ-QWHCGFSZSA-N 1 0 210.365 2.105 10 0 BEAERO CC[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398734339 386976562 /nfs/dbraw/zinc/97/65/62/386976562.db2.gz DAEZHTYYPRNMQZ-WUHRBBMRSA-N 1 0 211.349 2.125 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C1 ZINC000398739552 386979973 /nfs/dbraw/zinc/97/99/73/386979973.db2.gz OQFXUSQBMKCNMD-MGPQQGTHSA-N 1 0 223.360 2.269 10 0 BEAERO CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398784050 386990698 /nfs/dbraw/zinc/99/06/98/386990698.db2.gz OAWQKLSXIFKUIU-YNEHKIRRSA-N 1 0 209.333 2.045 10 0 BEAERO CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398784046 386991596 /nfs/dbraw/zinc/99/15/96/386991596.db2.gz OAWQKLSXIFKUIU-RWMBFGLXSA-N 1 0 209.333 2.045 10 0 BEAERO CC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404656 386949688 /nfs/dbraw/zinc/94/96/88/386949688.db2.gz OMPAAYDBFXWUNV-WDEREUQCSA-N 1 0 209.289 2.187 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000398695629 386951737 /nfs/dbraw/zinc/95/17/37/386951737.db2.gz DKNKAZTUBTVRGE-UMVBOHGHSA-N 1 0 249.329 2.419 10 0 BEAERO C[NH2+][C@H]1CO[C@H](c2sccc2Cl)C1 ZINC000575461433 387032449 /nfs/dbraw/zinc/03/24/49/387032449.db2.gz IBNJIBNUSQGLEF-SVRRBLITSA-N 1 0 217.721 2.451 10 0 BEAERO C[NH2+][C@@H](c1cccs1)c1ccccn1 ZINC000040237895 387042631 /nfs/dbraw/zinc/04/26/31/387042631.db2.gz NZOUITBVEFJYKL-LLVKDONJSA-N 1 0 204.298 2.452 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccncc1Br ZINC000575582756 387061053 /nfs/dbraw/zinc/06/10/53/387061053.db2.gz HFKJRRXBDGQENO-XVYDVKMFSA-N 1 0 241.132 2.295 10 0 BEAERO [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cc1 ZINC000334881495 387024085 /nfs/dbraw/zinc/02/40/85/387024085.db2.gz XQOSIYHWXHDLKD-AAEUAGOBSA-N 1 0 245.326 2.162 10 0 BEAERO CCO[C@H]1C[C@@H]([NH2+]CC(C)C)C12CCOCC2 ZINC000186197723 387077285 /nfs/dbraw/zinc/07/72/85/387077285.db2.gz SVKLDNOKFJVXDT-OLZOCXBDSA-N 1 0 241.375 2.206 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])Cc1cncc(Br)c1 ZINC000575467480 387077882 /nfs/dbraw/zinc/07/78/82/387077882.db2.gz VJWJXTCTLNWBLC-OIBJUYFYSA-N 1 0 241.132 2.124 10 0 BEAERO Cc1nc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)sc1C ZINC000334991976 387082124 /nfs/dbraw/zinc/08/21/24/387082124.db2.gz FTBXXZCDMFFCQX-PHIMTYICSA-N 1 0 237.372 2.091 10 0 BEAERO CC[C@H]([C@@H]1C[C@@H]1C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000321284320 387086310 /nfs/dbraw/zinc/08/63/10/387086310.db2.gz TVNNJYQYSVJXAA-RYMFRWLXSA-N 1 0 224.392 2.338 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000418090401 387098773 /nfs/dbraw/zinc/09/87/73/387098773.db2.gz CMXJJBNMCSWNCR-OWCLPIDISA-N 1 0 244.382 2.474 10 0 BEAERO COc1cc([C@H]([NH3+])CC(F)F)ccc1F ZINC000575437282 387106766 /nfs/dbraw/zinc/10/67/66/387106766.db2.gz CJDFKUIOFPZNEY-MRVPVSSYSA-N 1 0 219.206 2.489 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])CC(F)F ZINC000575437691 387109193 /nfs/dbraw/zinc/10/91/93/387109193.db2.gz OYHRJXMVWXCXGI-MRVPVSSYSA-N 1 0 219.206 2.489 10 0 BEAERO COc1cc([C@@H]([NH3+])CC(F)F)ccc1O ZINC000575437514 387109355 /nfs/dbraw/zinc/10/93/55/387109355.db2.gz IAFBHDBCJVWQDE-ZETCQYMHSA-N 1 0 217.215 2.056 10 0 BEAERO COc1ccc([C@@H]([NH3+])CC(F)F)cc1OC ZINC000575438218 387111394 /nfs/dbraw/zinc/11/13/94/387111394.db2.gz HPOBZTHJYCUTAX-QMMMGPOBSA-N 1 0 231.242 2.359 10 0 BEAERO [NH3+][C@@H](CCF)c1ccc2c(c1)OC(F)(F)O2 ZINC000575437996 387112551 /nfs/dbraw/zinc/11/25/51/387112551.db2.gz DVWICAVUOPMPTL-ZETCQYMHSA-N 1 0 233.189 2.368 10 0 BEAERO COc1cccc([C@H]([NH3+])CCF)c1F ZINC000575438813 387119807 /nfs/dbraw/zinc/11/98/07/387119807.db2.gz AZAXRGMWMWFEHS-MRVPVSSYSA-N 1 0 201.216 2.194 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])CCF ZINC000575439404 387123367 /nfs/dbraw/zinc/12/33/67/387123367.db2.gz JEDOBOKBDUEILX-SECBINFHSA-N 1 0 201.216 2.194 10 0 BEAERO COc1cc(OC)cc([C@@H]([NH3+])CC(F)F)c1 ZINC000575439767 387126034 /nfs/dbraw/zinc/12/60/34/387126034.db2.gz VSIMYEVZPVBKGH-JTQLQIEISA-N 1 0 231.242 2.359 10 0 BEAERO CC[C@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000062808300 387144041 /nfs/dbraw/zinc/14/40/41/387144041.db2.gz LAWVNJHYZHZXAU-JTQLQIEISA-N 1 0 223.364 2.358 10 0 BEAERO CCc1ccc([C@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536952350 387165557 /nfs/dbraw/zinc/16/55/57/387165557.db2.gz CNGFSZQYVIXYOC-AWEZNQCLSA-N 1 0 233.355 2.454 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000252116839 387219982 /nfs/dbraw/zinc/21/99/82/387219982.db2.gz KHTYPFSDARRSGL-KBMXLJTQSA-N 1 0 244.382 2.301 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1ccsc1Br ZINC000575593173 387224470 /nfs/dbraw/zinc/22/44/70/387224470.db2.gz YEVMDMLJNQTYRA-RNFRBKRXSA-N 1 0 248.145 2.299 10 0 BEAERO CC(C)[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000217120911 387239533 /nfs/dbraw/zinc/23/95/33/387239533.db2.gz CUJULBUUCLUYIE-GHMZBOCLSA-N 1 0 242.363 2.288 10 0 BEAERO CC(C)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000217120936 387239833 /nfs/dbraw/zinc/23/98/33/387239833.db2.gz CUJULBUUCLUYIE-WDEREUQCSA-N 1 0 242.363 2.288 10 0 BEAERO CCC[C@H](C(=O)Nc1nc(C)cs1)[NH+](C)C ZINC000161658951 387253599 /nfs/dbraw/zinc/25/35/99/387253599.db2.gz TUFWBJOACVDRRW-SECBINFHSA-N 1 0 241.360 2.120 10 0 BEAERO CCC[C@@H](C(=O)N1CCC[C@@H](CC)C1)[NH+](C)C ZINC000161543400 387241246 /nfs/dbraw/zinc/24/12/46/387241246.db2.gz NUXBVOFGWWVYDR-OLZOCXBDSA-N 1 0 240.391 2.365 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000120499862 387249465 /nfs/dbraw/zinc/24/94/65/387249465.db2.gz YLRWLWPFPJLPDN-HMVGFALLSA-N 1 0 237.368 2.483 10 0 BEAERO C[C@H](CCO)[NH2+]C1CC(c2ccccc2F)C1 ZINC000120619595 387260130 /nfs/dbraw/zinc/26/01/30/387260130.db2.gz QESAEXPOGZQTCJ-VOMCLLRMSA-N 1 0 237.318 2.432 10 0 BEAERO CCC[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000120926784 387285732 /nfs/dbraw/zinc/28/57/32/387285732.db2.gz DHTCRGMJZZQBJE-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000392858732 387293416 /nfs/dbraw/zinc/29/34/16/387293416.db2.gz IFLNAGSXFXHWTM-YPMHNXCESA-N 1 0 236.359 2.134 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392933736 387303354 /nfs/dbraw/zinc/30/33/54/387303354.db2.gz LPFLDZJWSMXMFQ-RHYQMDGZSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392933734 387303669 /nfs/dbraw/zinc/30/36/69/387303669.db2.gz LPFLDZJWSMXMFQ-KKOKHZNYSA-N 1 0 238.375 2.068 10 0 BEAERO CCO[C@@H]1C[C@H]([N@H+](C)CCOC)C12CCCC2 ZINC000121161175 387304218 /nfs/dbraw/zinc/30/42/18/387304218.db2.gz HGJGFNACDWJVCN-QWHCGFSZSA-N 1 0 241.375 2.302 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C[C@@H]1C ZINC000392945109 387305093 /nfs/dbraw/zinc/30/50/93/387305093.db2.gz RQJAVDXUPAPMIC-QNWJLWSRSA-N 1 0 238.375 2.068 10 0 BEAERO CCO[C@@H]1C[C@H]([N@H+](C)CCCO)C12CCCC2 ZINC000121187841 387307348 /nfs/dbraw/zinc/30/73/48/387307348.db2.gz AJXHLXRWSBBNJD-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@@H]1C[C@@H]1C ZINC000321875608 387309086 /nfs/dbraw/zinc/30/90/86/387309086.db2.gz IFNOXDMKDIZDQD-WHOHXGKFSA-N 1 0 244.342 2.424 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2ccc(Br)s2)C1 ZINC000575507938 387370368 /nfs/dbraw/zinc/37/03/68/387370368.db2.gz JHCLPPWHFSSSCV-RITPCOANSA-N 1 0 248.145 2.299 10 0 BEAERO O[C@H](c1sccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000575508276 387374438 /nfs/dbraw/zinc/37/44/38/387374438.db2.gz MGMZYNNSAAOTOB-SVRRBLITSA-N 1 0 217.721 2.044 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2ccc(Cl)s2)C1 ZINC000575507484 387374613 /nfs/dbraw/zinc/37/46/13/387374613.db2.gz HSUGMWLWTPQTJQ-RITPCOANSA-N 1 0 203.694 2.190 10 0 BEAERO CCCc1nc(C[NH2+][C@@H]2CCO[C@@H]2C)cs1 ZINC000292117072 387331768 /nfs/dbraw/zinc/33/17/68/387331768.db2.gz HLUNPSMOZNUWFZ-MWLCHTKSSA-N 1 0 240.372 2.363 10 0 BEAERO C[C@@H]1[C@H]([NH3+])C[C@@H]1c1ccc(Br)cn1 ZINC000575500482 387352764 /nfs/dbraw/zinc/35/27/64/387352764.db2.gz SCUKKQMOIVPIIL-CNUIFLNQSA-N 1 0 241.132 2.295 10 0 BEAERO FC1(F)CC[C@@H]2[NH2+]CCCS[C@H]2C1 ZINC000575520657 387446812 /nfs/dbraw/zinc/44/68/12/387446812.db2.gz RBTXOKKCCPCVFC-YUMQZZPRSA-N 1 0 207.289 2.269 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2sccc2Br)C1 ZINC000575509324 387392062 /nfs/dbraw/zinc/39/20/62/387392062.db2.gz VHGQCJYXIVFBQX-CAHLUQPWSA-N 1 0 248.145 2.299 10 0 BEAERO CC(C)CC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121685991 387392320 /nfs/dbraw/zinc/39/23/20/387392320.db2.gz JFUZMOZVZCNZIQ-LLVKDONJSA-N 1 0 222.336 2.378 10 0 BEAERO CCC[C@H](C)N(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000037505086 387422385 /nfs/dbraw/zinc/42/23/85/387422385.db2.gz CZTWNRHXEFLALG-GXTWGEPZSA-N 1 0 248.370 2.203 10 0 BEAERO CC(=O)O[C@H]1C[C@@H]2CCCC[C@H]2C[C@@H]1[NH+](C)C ZINC000584626964 387503769 /nfs/dbraw/zinc/50/37/69/387503769.db2.gz VEPCGHSDXHQQHG-XUXIUFHCSA-N 1 0 239.359 2.449 10 0 BEAERO CC(=O)O[C@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+](C)C ZINC000584626963 387503989 /nfs/dbraw/zinc/50/39/89/387503989.db2.gz VEPCGHSDXHQQHG-RFGFWPKPSA-N 1 0 239.359 2.449 10 0 BEAERO CCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887309 387524291 /nfs/dbraw/zinc/52/42/91/387524291.db2.gz AXDAEYJJQBAQGE-UHFFFAOYSA-N 1 0 221.348 2.395 10 0 BEAERO CC(C)=CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000303080163 387524907 /nfs/dbraw/zinc/52/49/07/387524907.db2.gz IJUDDGRDOHRQLV-QWHCGFSZSA-N 1 0 236.359 2.038 10 0 BEAERO CC(C)CC[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CC1 ZINC000310199857 387536697 /nfs/dbraw/zinc/53/66/97/387536697.db2.gz BBPFQZGWIIXTHM-CHWSQXEVSA-N 1 0 238.375 2.069 10 0 BEAERO CC[NH2+][C@H](C)CNc1nc2ccccc2nc1C ZINC000395838519 387479050 /nfs/dbraw/zinc/47/90/50/387479050.db2.gz IUSPHMCPPJBNJE-SNVBAGLBSA-N 1 0 244.342 2.348 10 0 BEAERO CC1CCC([NH2+][C@@H]2CCCN[C@H]2C)CC1 ZINC000396708651 387483115 /nfs/dbraw/zinc/48/31/15/387483115.db2.gz OKANJBCXBRHBHB-PYNQCMFNSA-N 1 0 210.365 2.295 10 0 BEAERO COC1(C[N@@H+]2CC[C@@H](CCO)C2)CCCCC1 ZINC000361550362 387485918 /nfs/dbraw/zinc/48/59/18/387485918.db2.gz FBOQSLMQVPJIQO-ZDUSSCGKSA-N 1 0 241.375 2.040 10 0 BEAERO C/C(=C/Br)[C@H]1CCC[NH2+]C1 ZINC000575544328 387595136 /nfs/dbraw/zinc/59/51/36/387595136.db2.gz CZBHLICOGCHYFW-TVSKSKRASA-N 1 0 204.111 2.285 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)C2CCCC2)c1 ZINC000124081528 387605737 /nfs/dbraw/zinc/60/57/37/387605737.db2.gz CVMTYABBOFAIBT-GFCCVEGCSA-N 1 0 221.348 2.360 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000124535894 387621945 /nfs/dbraw/zinc/62/19/45/387621945.db2.gz KMHYOVZPJHRSBB-LDYMZIIASA-N 1 0 238.356 2.125 10 0 BEAERO CC[C@H](COC)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122585528 387552658 /nfs/dbraw/zinc/55/26/58/387552658.db2.gz INEDFMQRJOZKJT-JHJVBQTASA-N 1 0 229.364 2.062 10 0 BEAERO C[C@H]1CC[C@]([NH3+])(c2nccs2)CS1 ZINC000575533447 387554842 /nfs/dbraw/zinc/55/48/42/387554842.db2.gz BRQRVOBVKPPMCY-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO CCN(CC)CC[N@@H+]1CCC2(CCC2)C1 ZINC000119734831 387554878 /nfs/dbraw/zinc/55/48/78/387554878.db2.gz UJYIMQUMFYQQPL-UHFFFAOYSA-N 1 0 210.365 2.204 10 0 BEAERO Cn1nccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074408 387560688 /nfs/dbraw/zinc/56/06/88/387560688.db2.gz VKNBUMJMNVYAPV-CYBMUJFWSA-N 1 0 243.310 2.034 10 0 BEAERO CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)C(C)C ZINC000037319403 387562723 /nfs/dbraw/zinc/56/27/23/387562723.db2.gz XECGVNISSUXLMP-HTAVTVPLSA-N 1 0 226.364 2.055 10 0 BEAERO C/C(=C/Br)C[C@H]1CCC[NH2+]1 ZINC000575545723 387631001 /nfs/dbraw/zinc/63/10/01/387631001.db2.gz NITZKISXSFNTQU-NFXKFNAJSA-N 1 0 204.111 2.427 10 0 BEAERO CC1(C)CCSC[C@H]1[NH2+]C1CSC1 ZINC000575547232 387637525 /nfs/dbraw/zinc/63/75/25/387637525.db2.gz YFEKWYLARKJTDT-SECBINFHSA-N 1 0 217.403 2.223 10 0 BEAERO [NH3+]C1(Cc2ccc(Br)o2)CSC1 ZINC000575549424 387647773 /nfs/dbraw/zinc/64/77/73/387647773.db2.gz JOOWIOWCBTUJLU-UHFFFAOYSA-N 1 0 248.145 2.029 10 0 BEAERO C[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000643491396 387665527 /nfs/dbraw/zinc/66/55/27/387665527.db2.gz IFZHQBOGAVOCSK-VHSXEESVSA-N 1 0 220.307 2.009 10 0 BEAERO COc1cc(C)nc(C[NH2+]CCCSC)c1 ZINC000125963885 387668017 /nfs/dbraw/zinc/66/80/17/387668017.db2.gz ABPNAVGXDPGLEO-UHFFFAOYSA-N 1 0 240.372 2.241 10 0 BEAERO c1ncc(C[N@@H+]2CCCC23CCCC3)[nH]1 ZINC000377039140 387689960 /nfs/dbraw/zinc/68/99/60/387689960.db2.gz FBNPJEAOCOIIPJ-UHFFFAOYSA-N 1 0 205.305 2.318 10 0 BEAERO Cc1nc([C@]2([NH3+])CCCSC2)cs1 ZINC000575554888 387692745 /nfs/dbraw/zinc/69/27/45/387692745.db2.gz HTSNLCFAWPPCGC-VIFPVBQESA-N 1 0 214.359 2.133 10 0 BEAERO C[C@H]1CC[C@@]([NH3+])(c2cscn2)CS1 ZINC000575573669 387748826 /nfs/dbraw/zinc/74/88/26/387748826.db2.gz ZDIAEBLIUQPQCE-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1CS[C@@H](c2ccncc2Cl)N1 ZINC000575557453 387698086 /nfs/dbraw/zinc/69/80/86/387698086.db2.gz UOQOFEGMZFVVKM-MUWHJKNJSA-N 1 0 214.721 2.459 10 0 BEAERO CC[C@]1([NH3+])CCN(Cc2ccccc2)[C@@H]1C ZINC000575562205 387701488 /nfs/dbraw/zinc/70/14/88/387701488.db2.gz ZHXPTTZXIIJRLF-OCCSQVGLSA-N 1 0 218.344 2.388 10 0 BEAERO Nc1[nH+]ccn1Cc1csc(Cl)c1 ZINC000575564321 387706203 /nfs/dbraw/zinc/70/62/03/387706203.db2.gz FTORWXMGVZVZMY-UHFFFAOYSA-N 1 0 213.693 2.059 10 0 BEAERO [NH3+][C@]1(C2CC2)CCCN(Cc2ccccc2)C1 ZINC000575561793 387706216 /nfs/dbraw/zinc/70/62/16/387706216.db2.gz VDWGBFUVKDGPCP-OAHLLOKOSA-N 1 0 230.355 2.390 10 0 BEAERO C/C=C/[C@H]([NH3+])c1cncc(Br)c1 ZINC000575564009 387707149 /nfs/dbraw/zinc/70/71/49/387707149.db2.gz ZHLNFCJBJRYHLM-HPOULIHZSA-N 1 0 227.105 2.420 10 0 BEAERO CCC[C@H]([NH2+]CC[C@@H](C)O)c1ccccn1 ZINC000127536890 387716130 /nfs/dbraw/zinc/71/61/30/387716130.db2.gz SNNGWOQYEKONAS-NEPJUHHUSA-N 1 0 222.332 2.283 10 0 BEAERO Cc1ncc([C@@]2([NH3+])CS[C@H](C)C2)s1 ZINC000575573107 387755599 /nfs/dbraw/zinc/75/55/99/387755599.db2.gz SRQJFTXUKPYILB-MUWHJKNJSA-N 1 0 214.359 2.131 10 0 BEAERO Cc1ncc([C@@]2([NH3+])CCS[C@H]2C)s1 ZINC000575571397 387739685 /nfs/dbraw/zinc/73/96/85/387739685.db2.gz UZKAKMVCDADOMK-IMTBSYHQSA-N 1 0 214.359 2.131 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000528018089 387825139 /nfs/dbraw/zinc/82/51/39/387825139.db2.gz KCFZUYLWAIIWEG-AKUTZHFWSA-N 1 0 223.360 2.316 10 0 BEAERO CCc1nnc(C[NH2+][C@@H]2CC3CCC2CC3)n1C ZINC000433001502 387847853 /nfs/dbraw/zinc/84/78/53/387847853.db2.gz IJUCFJRYQRWTOB-HTAVTVPLSA-N 1 0 248.374 2.046 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000442869255 387853350 /nfs/dbraw/zinc/85/33/50/387853350.db2.gz PCSWQWSLIIXSKS-NTZNESFSSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000442869253 387853960 /nfs/dbraw/zinc/85/39/60/387853960.db2.gz PCSWQWSLIIXSKS-NQBHXWOUSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@H](c1ccc(F)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193602509 387856621 /nfs/dbraw/zinc/85/66/21/387856621.db2.gz KGMRKINQQSYSBU-FPMFFAJLSA-N 1 0 248.345 2.380 10 0 BEAERO CCCC[NH2+]Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000064875653 387884749 /nfs/dbraw/zinc/88/47/49/387884749.db2.gz FNVIOPJEFSHPBX-UHFFFAOYSA-N 1 0 245.326 2.121 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2nccc3ccccc32)C1 ZINC000168721307 387904651 /nfs/dbraw/zinc/90/46/51/387904651.db2.gz XMHKTBGTVQXGFY-LBPRGKRZSA-N 1 0 241.338 2.281 10 0 BEAERO CCn1c(C)nnc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000195122510 387907652 /nfs/dbraw/zinc/90/76/52/387907652.db2.gz HRDKOVZPLUBHLX-UHFFFAOYSA-N 1 0 248.374 2.227 10 0 BEAERO Cc1occc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000321014201 387930582 /nfs/dbraw/zinc/93/05/82/387930582.db2.gz UZJWFYOFFGUYBS-OLZOCXBDSA-N 1 0 223.316 2.229 10 0 BEAERO Cc1cc(C)c(C(=O)N(C)C[C@@H](C)C[NH3+])c(C)c1 ZINC000042455080 177841031 /nfs/dbraw/zinc/84/10/31/177841031.db2.gz XZUFFUPFXDRDQV-NSHDSACASA-N 1 0 248.370 2.279 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)C(C)C ZINC000245426696 387945046 /nfs/dbraw/zinc/94/50/46/387945046.db2.gz GKUMBEOFYGOSSD-OLZOCXBDSA-N 1 0 240.391 2.221 10 0 BEAERO Cc1cc(C(F)(F)F)nn1[C@H](C)CC[NH3+] ZINC000020313501 177831980 /nfs/dbraw/zinc/83/19/80/177831980.db2.gz YZVOXPNZXMGFGM-ZCFIWIBFSA-N 1 0 221.226 2.120 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000245693570 387973547 /nfs/dbraw/zinc/97/35/47/387973547.db2.gz KREQNKDNCOXAOQ-FRRDWIJNSA-N 1 0 248.374 2.151 10 0 BEAERO C[C@@H]([NH3+])c1nc2ccccc2n1C[C@H]1CCCO1 ZINC000053994560 387975914 /nfs/dbraw/zinc/97/59/14/387975914.db2.gz CUASCTAGWGEWSG-GHMZBOCLSA-N 1 0 245.326 2.235 10 0 BEAERO C[N@H+](Cc1ccco1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245846740 387985537 /nfs/dbraw/zinc/98/55/37/387985537.db2.gz LJBXHOVVNONRET-HUUCEWRRSA-N 1 0 243.306 2.370 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCn3ccnc32)C[C@H](C)O1 ZINC000453204962 388010239 /nfs/dbraw/zinc/01/02/39/388010239.db2.gz CEPCUUDCXKPSLD-RNJOBUHISA-N 1 0 249.358 2.121 10 0 BEAERO Fc1ccc([C@H]2CSCC[NH2+]2)c(F)c1 ZINC000070588093 387996323 /nfs/dbraw/zinc/99/63/23/387996323.db2.gz YMMPJUCDINHKGB-SNVBAGLBSA-N 1 0 215.268 2.342 10 0 BEAERO Fc1ccc([C@@H]2CSCC[NH2+]2)c(F)c1 ZINC000070588092 387996375 /nfs/dbraw/zinc/99/63/75/387996375.db2.gz YMMPJUCDINHKGB-JTQLQIEISA-N 1 0 215.268 2.342 10 0 BEAERO CN(Cc1cccs1)[C@H]1CCC[C@@H]1[NH3+] ZINC000040989286 388030849 /nfs/dbraw/zinc/03/08/49/388030849.db2.gz PXAZIACTDRVCIK-QWRGUYRKSA-N 1 0 210.346 2.060 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(C)(C)C ZINC000083703851 388059572 /nfs/dbraw/zinc/05/95/72/388059572.db2.gz ZIGMPHJZDMKLLL-NWDGAFQWSA-N 1 0 238.375 2.118 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccccn1 ZINC000083704989 388060890 /nfs/dbraw/zinc/06/08/90/388060890.db2.gz QUZNMLQGXXSRGV-DZGCQCFKSA-N 1 0 245.370 2.140 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccccn1 ZINC000083704987 388061038 /nfs/dbraw/zinc/06/10/38/388061038.db2.gz QUZNMLQGXXSRGV-UKRRQHHQSA-N 1 0 245.370 2.140 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000084010643 388068154 /nfs/dbraw/zinc/06/81/54/388068154.db2.gz NOHWDTGBDNHEOF-JTQLQIEISA-N 1 0 218.300 2.110 10 0 BEAERO C[C@H](C[NH3+])CNc1ncc(Cl)cc1Cl ZINC000084901574 388081175 /nfs/dbraw/zinc/08/11/75/388081175.db2.gz WPMNDISBFKICIK-ZCFIWIBFSA-N 1 0 234.130 2.395 10 0 BEAERO CCn1c(C)nnc1C[N@H+](C)C1CCCCC1 ZINC000195007797 388082203 /nfs/dbraw/zinc/08/22/03/388082203.db2.gz MNRYOFFGYBQXJO-UHFFFAOYSA-N 1 0 236.363 2.371 10 0 BEAERO C[C@@H]1CS[C@@H]([C@@H]2CCCSC2)[NH2+]1 ZINC000306423123 388096368 /nfs/dbraw/zinc/09/63/68/388096368.db2.gz FDXOBJHBCMHHAE-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccccc1Cl ZINC000071518910 388097594 /nfs/dbraw/zinc/09/75/94/388097594.db2.gz CLMNOGRTSYKAIK-QWRGUYRKSA-N 1 0 213.708 2.357 10 0 BEAERO c1n[nH]cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000038005904 388099723 /nfs/dbraw/zinc/09/97/23/388099723.db2.gz KQQVTHURLKUWLP-GFCCVEGCSA-N 1 0 229.283 2.023 10 0 BEAERO c1n[nH]cc1C[NH2+][C@@H]1CSCc2ccccc21 ZINC000038006418 388109594 /nfs/dbraw/zinc/10/95/94/388109594.db2.gz QYTNXFQFGNEUHZ-CYBMUJFWSA-N 1 0 245.351 2.487 10 0 BEAERO CCc1nnc(C[N@@H+](CC)[C@@H](C)C(C)C)n1C ZINC000195432680 388163977 /nfs/dbraw/zinc/16/39/77/388163977.db2.gz OSBJOQADLYFUHH-NSHDSACASA-N 1 0 238.379 2.244 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000646089383 388140182 /nfs/dbraw/zinc/14/01/82/388140182.db2.gz QGLQDULVQDWTKH-QJPTWQEYSA-N 1 0 217.316 2.063 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)nn1C ZINC000646091360 388140547 /nfs/dbraw/zinc/14/05/47/388140547.db2.gz MPWOFOCSMOYPNS-CYZMBNFOSA-N 1 0 219.332 2.007 10 0 BEAERO CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000646091938 388140551 /nfs/dbraw/zinc/14/05/51/388140551.db2.gz GNGGRTXSYSANHH-HBNTYKKESA-N 1 0 235.331 2.471 10 0 BEAERO C[NH+](C)CC[C@H]1CCCCN1C(=O)C1CCC1 ZINC000065288690 388255872 /nfs/dbraw/zinc/25/58/72/388255872.db2.gz MQJDUSPLIGDCKQ-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO CCSCC[NH2+][C@H](CC(C)C)CN(C)C ZINC000164805044 388248289 /nfs/dbraw/zinc/24/82/89/388248289.db2.gz VQNCITFWJCXUFR-GFCCVEGCSA-N 1 0 232.437 2.305 10 0 BEAERO CC[C@H]([NH2+]C1CC(F)(F)C1)c1cnn(C)c1 ZINC000277024452 388352428 /nfs/dbraw/zinc/35/24/28/388352428.db2.gz DPLOOYIEDOOJRC-JTQLQIEISA-N 1 0 229.274 2.259 10 0 BEAERO CC1(C)[C@@H]([NH3+])C[C@]1(F)c1cncs1 ZINC000575517745 388354362 /nfs/dbraw/zinc/35/43/62/388354362.db2.gz IKAWWHOXEYHPIS-RCOVLWMOSA-N 1 0 200.282 2.065 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1C[C@@H]2CC[C@@H]2C1 ZINC000575525511 388359856 /nfs/dbraw/zinc/35/98/56/388359856.db2.gz KDGWDKJPHFYCLO-BETUJISGSA-N 1 0 229.327 2.053 10 0 BEAERO Cc1[nH+]c2cccc(Cl)c2c(N)c1CO ZINC000038254275 388402817 /nfs/dbraw/zinc/40/28/17/388402817.db2.gz IGAHHWAESIOXFD-UHFFFAOYSA-N 1 0 222.675 2.271 10 0 BEAERO C[C@H](Nc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000335043130 388448611 /nfs/dbraw/zinc/44/86/11/388448611.db2.gz NZUOLDGEGGPVAA-VHSXEESVSA-N 1 0 208.280 2.236 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](N=c2[nH]c3ccccc3s2)C1 ZINC000335577400 388451381 /nfs/dbraw/zinc/45/13/81/388451381.db2.gz DMGPARMIMPQQPN-VHSXEESVSA-N 1 0 247.367 2.258 10 0 BEAERO CC(C)CC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037626353 388470391 /nfs/dbraw/zinc/47/03/91/388470391.db2.gz PFULUPDYPWASDA-PNESKVBLSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000133951533 388472966 /nfs/dbraw/zinc/47/29/66/388472966.db2.gz IWBDCKUBYKBTGA-DMDPSCGWSA-N 1 0 223.316 2.368 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCO[C@H]2C)o1 ZINC000134244562 388475142 /nfs/dbraw/zinc/47/51/42/388475142.db2.gz JHHJYYSPTNLXSM-CABZTGNLSA-N 1 0 209.289 2.109 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000134623139 388478051 /nfs/dbraw/zinc/47/80/51/388478051.db2.gz XYQWFUITOHLRQQ-RYUDHWBXSA-N 1 0 209.337 2.296 10 0 BEAERO Cc1cc(C)cc(C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000041211909 388434033 /nfs/dbraw/zinc/43/40/33/388434033.db2.gz KWDMQEFOUXVLNS-LBPRGKRZSA-N 1 0 203.285 2.238 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1nncn1C)[C@H]1CC1(C)C ZINC000397653102 388487738 /nfs/dbraw/zinc/48/77/38/388487738.db2.gz BBBYWYLLJUXIAM-MXWKQRLJSA-N 1 0 236.363 2.290 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)[C@H]1CC1(C)C ZINC000397683082 388489812 /nfs/dbraw/zinc/48/98/12/388489812.db2.gz MLZZDDALAYEDRD-UTUOFQBUSA-N 1 0 240.391 2.268 10 0 BEAERO COc1cc(F)cc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000312285691 388511489 /nfs/dbraw/zinc/51/14/89/388511489.db2.gz QMIQSEBLLPILPN-PRHODGIISA-N 1 0 209.264 2.332 10 0 BEAERO c1ncn(CC[NH2+]CCCC2CCCCC2)n1 ZINC000347834609 388523701 /nfs/dbraw/zinc/52/37/01/388523701.db2.gz WGRJNPRNXORQST-UHFFFAOYSA-N 1 0 236.363 2.228 10 0 BEAERO Cc1[nH+]c(N)nc(N)c1CCC1CCCCC1 ZINC000082300948 388586868 /nfs/dbraw/zinc/58/68/68/388586868.db2.gz OHFLXBFUOMBRJT-UHFFFAOYSA-N 1 0 234.347 2.462 10 0 BEAERO C[NH+](C)Cc1ccnc(-c2cccc(N)c2)c1 ZINC000082294811 388587124 /nfs/dbraw/zinc/58/71/24/388587124.db2.gz VJUGWTWVRBDBLK-UHFFFAOYSA-N 1 0 227.311 2.392 10 0 BEAERO CCCC[NH2+]C[C@@H]1CCc2ccc(O)cc2O1 ZINC000003959252 388588124 /nfs/dbraw/zinc/58/81/24/388588124.db2.gz PLFNWLNAVFWLFO-ZDUSSCGKSA-N 1 0 235.327 2.476 10 0 BEAERO [NH3+]C[C@@H]1C[C@H]1c1ccc(Br)o1 ZINC000054561739 388594162 /nfs/dbraw/zinc/59/41/62/388594162.db2.gz RBVZHUIPZBFEJT-NTSWFWBYSA-N 1 0 216.078 2.104 10 0 BEAERO CSCc1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054496966 388594175 /nfs/dbraw/zinc/59/41/75/388594175.db2.gz JSUHDCGKDLCECV-LURJTMIESA-N 1 0 214.359 2.342 10 0 BEAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Br)o1 ZINC000054561737 388594272 /nfs/dbraw/zinc/59/42/72/388594272.db2.gz RBVZHUIPZBFEJT-RITPCOANSA-N 1 0 216.078 2.104 10 0 BEAERO CSC[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000055237632 388597136 /nfs/dbraw/zinc/59/71/36/388597136.db2.gz AFWSRAAJOBFLMR-VIFPVBQESA-N 1 0 203.257 2.328 10 0 BEAERO CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000051628401 388613385 /nfs/dbraw/zinc/61/33/85/388613385.db2.gz SJKGDKJVMHLPIT-QWHCGFSZSA-N 1 0 234.343 2.237 10 0 BEAERO Clc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367520899 388565538 /nfs/dbraw/zinc/56/55/38/388565538.db2.gz ZWWGPVVSKDBYPE-XYYAHUGASA-N 1 0 237.730 2.322 10 0 BEAERO COC[C@H](C)N[C@H]1COc2cccc(Cl)c21 ZINC000367408398 388565547 /nfs/dbraw/zinc/56/55/47/388565547.db2.gz SPLHMIQQQIPLIH-WPRPVWTQSA-N 1 0 241.718 2.398 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000367688885 388566476 /nfs/dbraw/zinc/56/64/76/388566476.db2.gz NQAXWFVHQBWDSS-KKOKHZNYSA-N 1 0 221.300 2.131 10 0 BEAERO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367689683 388566483 /nfs/dbraw/zinc/56/64/83/388566483.db2.gz QEJAWMNWMSLDHR-DOERSZECSA-N 1 0 235.327 2.083 10 0 BEAERO C[C@]1(c2cccs2)C[C@@H]1C[NH2+]C1COC1 ZINC000367908452 388567040 /nfs/dbraw/zinc/56/70/40/388567040.db2.gz BMPLEGDRBBYSHL-SKDRFNHKSA-N 1 0 223.341 2.014 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC000124707459 388665606 /nfs/dbraw/zinc/66/56/06/388665606.db2.gz DCRQAWDEEQNBIU-NWDGAFQWSA-N 1 0 221.348 2.479 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247534473 388665842 /nfs/dbraw/zinc/66/58/42/388665842.db2.gz OOEVLCLTJMIMDS-QWHCGFSZSA-N 1 0 248.374 2.371 10 0 BEAERO CCc1nnc(C[NH2+][C@@H]2CCCC2(C)C)n1C ZINC000191855307 388671270 /nfs/dbraw/zinc/67/12/70/388671270.db2.gz LNCIJWZCGHTNPH-SNVBAGLBSA-N 1 0 236.363 2.046 10 0 BEAERO CCCn1cc(C[NH2+]C[C@H](C)SC)cn1 ZINC000125810756 388677739 /nfs/dbraw/zinc/67/77/39/388677739.db2.gz VOJAOLHVVBOCGB-JTQLQIEISA-N 1 0 227.377 2.134 10 0 BEAERO F[C@H](C1CC[NH2+]CC1)C(F)(F)Br ZINC000225683892 388627355 /nfs/dbraw/zinc/62/73/55/388627355.db2.gz IERDSJNPPKNMHX-ZCFIWIBFSA-N 1 0 246.070 2.312 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246995695 388655696 /nfs/dbraw/zinc/65/56/96/388655696.db2.gz KJLAUFJWZIBWII-YPMHNXCESA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000227456007 388751016 /nfs/dbraw/zinc/75/10/16/388751016.db2.gz MHAKGOVOZRVHQI-BZPMIXESSA-N 1 0 246.354 2.252 10 0 BEAERO Cc1ncsc1[C@@H]([NH3+])[C@H]1CCSC1 ZINC000575453835 388752931 /nfs/dbraw/zinc/75/29/31/388752931.db2.gz IUCFNJLLDHWSLK-YUMQZZPRSA-N 1 0 214.359 2.204 10 0 BEAERO CCC[C@H](C(=O)Nc1ccnc(C)c1)[NH+](C)C ZINC000126039612 388687679 /nfs/dbraw/zinc/68/76/79/388687679.db2.gz XLYYBBFYESSGLP-GFCCVEGCSA-N 1 0 235.331 2.059 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000192998628 388692075 /nfs/dbraw/zinc/69/20/75/388692075.db2.gz VRTDCOVKBRHVGQ-RYUDHWBXSA-N 1 0 236.363 2.276 10 0 BEAERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195272958 388703218 /nfs/dbraw/zinc/70/32/18/388703218.db2.gz HATPRNLEJFJSOF-LLVKDONJSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCCNC(=O)[C@H]2C)C1 ZINC000249010906 388704185 /nfs/dbraw/zinc/70/41/85/388704185.db2.gz IOYAWHKWIKYSTE-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO CCC[C@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000249141278 388710551 /nfs/dbraw/zinc/71/05/51/388710551.db2.gz QRXZBDRMXJWFHI-QWHCGFSZSA-N 1 0 236.363 2.179 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)OC(C)C ZINC000127114513 388714345 /nfs/dbraw/zinc/71/43/45/388714345.db2.gz UFPSUVUQFREKCT-LLVKDONJSA-N 1 0 230.352 2.097 10 0 BEAERO CCOCCN1CC[N@@H+]([C@H](C)CC)C[C@@H]1CC ZINC000249284330 388715205 /nfs/dbraw/zinc/71/52/05/388715205.db2.gz ORFVRGMNWYRZJT-KGLIPLIRSA-N 1 0 242.407 2.218 10 0 BEAERO CC[N@@H+]1CC[C@@H](NCc2cccc(C)n2)[C@H](C)C1 ZINC000127236472 388718802 /nfs/dbraw/zinc/71/88/02/388718802.db2.gz PNBXBKBHDRNGRS-IUODEOHRSA-N 1 0 247.386 2.210 10 0 BEAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H]1C ZINC000226722954 388727858 /nfs/dbraw/zinc/72/78/58/388727858.db2.gz CSIUTLIPMAZJBQ-IVZWLZJFSA-N 1 0 213.321 2.105 10 0 BEAERO CO[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C)c1 ZINC000229565981 388794560 /nfs/dbraw/zinc/79/45/60/388794560.db2.gz KWOABCBJTWKNBF-NWDGAFQWSA-N 1 0 206.289 2.369 10 0 BEAERO CCCOc1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000091425283 388763656 /nfs/dbraw/zinc/76/36/56/388763656.db2.gz DQJHLJNQENMYIJ-UHFFFAOYSA-N 1 0 249.354 2.336 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000091524810 388764873 /nfs/dbraw/zinc/76/48/73/388764873.db2.gz ANJNDMCNMVAHTE-ABIUDSBCSA-N 1 0 231.339 2.425 10 0 BEAERO OC1CC(C[NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000091538966 388766866 /nfs/dbraw/zinc/76/68/66/388766866.db2.gz RYWCWPMTWJVXPI-UHFFFAOYSA-N 1 0 249.329 2.432 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000228133297 388771184 /nfs/dbraw/zinc/77/11/84/388771184.db2.gz UOOWVEXNWMFKON-OVUXIIJLSA-N 1 0 231.339 2.450 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]1C ZINC000252699211 388772100 /nfs/dbraw/zinc/77/21/00/388772100.db2.gz RUJRMPNSEPZXNI-BREBYQMCSA-N 1 0 205.301 2.321 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cnn(C)c1 ZINC000252732914 388778019 /nfs/dbraw/zinc/77/80/19/388778019.db2.gz XDCOKJUGXUTLML-FOGDFJRCSA-N 1 0 207.321 2.259 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@]12C[C@H]1CCC2 ZINC000575463392 388831498 /nfs/dbraw/zinc/83/14/98/388831498.db2.gz VDYVPOKQCQTJAP-TZMCWYRMSA-N 1 0 229.327 2.243 10 0 BEAERO C[C@@H](C[NH3+])Nc1cccc(F)c1Cl ZINC000575478217 388859625 /nfs/dbraw/zinc/85/96/25/388859625.db2.gz JXMBULXUBJUUAK-LURJTMIESA-N 1 0 202.660 2.238 10 0 BEAERO C[C@H]([NH3+])[C@@H](O)c1cc2cscc2s1 ZINC000575479569 388862104 /nfs/dbraw/zinc/86/21/04/388862104.db2.gz ONLBEWOCDKPQME-SSDLBLMSSA-N 1 0 213.327 2.343 10 0 BEAERO CC[C@@H](C)[NH2+]Cc1cn2c(n1)CCCC2 ZINC000268833484 389004796 /nfs/dbraw/zinc/00/47/96/389004796.db2.gz KQEDIXUXYDZCID-SNVBAGLBSA-N 1 0 207.321 2.108 10 0 BEAERO Cc1cnc(C[NH2+][C@H]2CCCC[C@@H]2CO)s1 ZINC000274900469 389049637 /nfs/dbraw/zinc/04/96/37/389049637.db2.gz ICUPIVOHBGHWLC-MNOVXSKESA-N 1 0 240.372 2.092 10 0 BEAERO Cc1c([C@@H](C)[NH3+])cnn1-c1nc2ccccc2[nH]1 ZINC000011851184 177626466 /nfs/dbraw/zinc/62/64/66/177626466.db2.gz NXOKNOXVABYZSG-MRVPVSSYSA-N 1 0 241.298 2.077 10 0 BEAERO CSCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273129225 389037550 /nfs/dbraw/zinc/03/75/50/389037550.db2.gz RDUKNJOBLDLXEN-LLVKDONJSA-N 1 0 245.775 2.326 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1cccc(C)c1C ZINC000016945113 132323673 /nfs/dbraw/zinc/32/36/73/132323673.db2.gz ZQWZDWRMDJAQJU-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC1CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019865686 132327905 /nfs/dbraw/zinc/32/79/05/132327905.db2.gz KJYLYRKJYRZWEF-UHFFFAOYSA-N 1 0 217.316 2.207 10 0 BEAERO [NH3+][C@H]1CCCN(c2ccc(F)c(Cl)c2)C1 ZINC000033426961 132335866 /nfs/dbraw/zinc/33/58/66/132335866.db2.gz PDKPABVIQMDCJV-QMMMGPOBSA-N 1 0 228.698 2.407 10 0 BEAERO Cc1ccc(Cl)cc1N1CC[NH2+]C[C@H]1C ZINC000035994118 132339879 /nfs/dbraw/zinc/33/98/79/132339879.db2.gz UVYOUTBBJYMAPE-SNVBAGLBSA-N 1 0 224.735 2.447 10 0 BEAERO Cc1[nH+]c(N2C[C@H](C)C[C@H](C)C2)ccc1N ZINC000036250933 132341668 /nfs/dbraw/zinc/34/16/68/132341668.db2.gz KKUKOVFGWFRHJK-AOOOYVTPSA-N 1 0 219.332 2.455 10 0 BEAERO C[C@@H](C[NH3+])CN1c2ccccc2CC[C@@H]1C ZINC000036677542 132342326 /nfs/dbraw/zinc/34/23/26/132342326.db2.gz GQMCQHZVTQLFIM-RYUDHWBXSA-N 1 0 218.344 2.423 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCC(C)CC2)n1 ZINC000043395440 132352922 /nfs/dbraw/zinc/35/29/22/132352922.db2.gz HGBSRCSMVPYMQC-UHFFFAOYSA-N 1 0 219.332 2.085 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2cc(N)cc[nH+]2)C1 ZINC000043567914 132353276 /nfs/dbraw/zinc/35/32/76/132353276.db2.gz AAKIZHHHWCNLKF-AOOOYVTPSA-N 1 0 205.305 2.146 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(c2cccc(C[NH3+])n2)C1 ZINC000051396421 132360024 /nfs/dbraw/zinc/36/00/24/132360024.db2.gz YDRMIQHGBKFYNB-GHMZBOCLSA-N 1 0 219.332 2.023 10 0 BEAERO CSc1cccc(N2CC[NH2+]C[C@H]2C)c1 ZINC000083086645 132419903 /nfs/dbraw/zinc/41/99/03/132419903.db2.gz WDCMAQREVHNLGY-SNVBAGLBSA-N 1 0 222.357 2.207 10 0 BEAERO CCN(C)C(=O)Oc1cccc([C@@H](C)[NH2+]C)c1 ZINC000090411664 169686590 /nfs/dbraw/zinc/68/65/90/169686590.db2.gz DKTHTUMLVSBQTJ-SNVBAGLBSA-N 1 0 236.315 2.418 10 0 BEAERO CC1(C)CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000061824408 1172705010 /nfs/dbraw/zinc/70/50/10/1172705010.db2.gz MAFFLNIQYLTCMJ-VXGBXAGGSA-N 1 0 238.375 2.153 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000084447242 322835672 /nfs/dbraw/zinc/83/56/72/322835672.db2.gz QTGBZLJDBOVSCW-IFFXXYNGSA-N 1 0 223.360 2.316 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000084446182 322835548 /nfs/dbraw/zinc/83/55/48/322835548.db2.gz IVOMTEMKLAJWIH-OVGLSYRBSA-N 1 0 217.312 2.034 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)[C@@H]1C ZINC000084446780 322835756 /nfs/dbraw/zinc/83/57/56/322835756.db2.gz AJWIHLNWCUQLHJ-LQVBTDEGSA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000084447588 322836048 /nfs/dbraw/zinc/83/60/48/322836048.db2.gz PIDVBKJZRWLZBF-GMKTYKIGSA-N 1 0 211.349 2.316 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000042212937 322836750 /nfs/dbraw/zinc/83/67/50/322836750.db2.gz VHBCZHYHLPQVDV-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO CC(C)CCC[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104209797 166823252 /nfs/dbraw/zinc/82/32/52/166823252.db2.gz HLSUSZIQWCAGNR-AGIUHOORSA-N 1 0 240.391 2.173 10 0 BEAERO Cc1coc2c1cccc2N1CC[NH2+]CC1 ZINC000013741468 132244226 /nfs/dbraw/zinc/24/42/26/132244226.db2.gz AOXVGMLNSHXMQL-UHFFFAOYSA-N 1 0 216.284 2.151 10 0 BEAERO CC(C)(C)c1cc(NN)[nH+]c(N2CCCCC2)n1 ZINC000051152885 132300376 /nfs/dbraw/zinc/30/03/76/132300376.db2.gz FPCHYFAWAVKOPB-UHFFFAOYSA-N 1 0 249.362 2.050 10 0 BEAERO C[NH+]1CCN(c2cccc3ccoc32)CC1 ZINC000013738320 132322418 /nfs/dbraw/zinc/32/24/18/132322418.db2.gz WVJLZVJDZRVJOA-UHFFFAOYSA-N 1 0 216.284 2.185 10 0 BEAERO C[C@H]1CCCCN1c1ccc(C(N)=[NH2+])cc1 ZINC000019865710 132327795 /nfs/dbraw/zinc/32/77/95/132327795.db2.gz DAGUCHZJRWDWDB-JTQLQIEISA-N 1 0 217.316 2.349 10 0 BEAERO C[C@@H]1CCCCN1c1ccc(C(N)=[NH2+])cc1 ZINC000019865707 132327805 /nfs/dbraw/zinc/32/78/05/132327805.db2.gz DAGUCHZJRWDWDB-SNVBAGLBSA-N 1 0 217.316 2.349 10 0 BEAERO C[C@H]1CCCN(c2ccc(C(N)=[NH2+])cc2)C1 ZINC000019865732 132327947 /nfs/dbraw/zinc/32/79/47/132327947.db2.gz LNOGPYJXOPEKNO-JTQLQIEISA-N 1 0 217.316 2.207 10 0 BEAERO CC[C@H](C)[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265177 132330412 /nfs/dbraw/zinc/33/04/12/132330412.db2.gz DHBFMPPCHWETTO-LBPRGKRZSA-N 1 0 233.359 2.189 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(c2cc(C[NH3+])ccn2)C1 ZINC000022177909 132332632 /nfs/dbraw/zinc/33/26/32/132332632.db2.gz YPNFUJBLMGXPRM-GHMZBOCLSA-N 1 0 219.332 2.023 10 0 BEAERO Cc1nc2ccc(N3CC[NH2+]CC3)cc2s1 ZINC000031894490 132334601 /nfs/dbraw/zinc/33/46/01/132334601.db2.gz ZARQIGFFAZUXJY-UHFFFAOYSA-N 1 0 233.340 2.014 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1cccc(Cl)c1 ZINC000033606559 132336236 /nfs/dbraw/zinc/33/62/36/132336236.db2.gz KPPRCTGPPHBIJY-SECBINFHSA-N 1 0 210.708 2.138 10 0 BEAERO CC[NH2+][C@@H](C)c1ccccc1N1CCC(O)CC1 ZINC000034839924 132336993 /nfs/dbraw/zinc/33/69/93/132336993.db2.gz TWYVYELRAQIXJD-LBPRGKRZSA-N 1 0 248.370 2.318 10 0 BEAERO C[C@@H]1COCCN1c1cccc(Cl)c1C[NH3+] ZINC000035777876 132339302 /nfs/dbraw/zinc/33/93/02/132339302.db2.gz RGYNLDDLWQUSRB-SECBINFHSA-N 1 0 240.734 2.024 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCOC[C@H]1C ZINC000035777783 132339365 /nfs/dbraw/zinc/33/93/65/132339365.db2.gz VJKWMAMSPBITMO-GFCCVEGCSA-N 1 0 234.343 2.021 10 0 BEAERO CC(C)[NH2+]Cc1ccccc1N1CCOC[C@H]1C ZINC000035777769 132339392 /nfs/dbraw/zinc/33/93/92/132339392.db2.gz HKFBWUSTGYBPCC-CYBMUJFWSA-N 1 0 248.370 2.410 10 0 BEAERO C[C@H]1COCCN1c1ccccc1C[NH2+]C1CC1 ZINC000035777768 132339429 /nfs/dbraw/zinc/33/94/29/132339429.db2.gz XYFVGBDNIFGMPU-LBPRGKRZSA-N 1 0 246.354 2.164 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCOC[C@@H]1C ZINC000035777781 132339452 /nfs/dbraw/zinc/33/94/52/132339452.db2.gz VJKWMAMSPBITMO-LBPRGKRZSA-N 1 0 234.343 2.021 10 0 BEAERO Cc1ccc(Cl)cc1N1CC[NH2+]C[C@@H]1C ZINC000035822871 132339748 /nfs/dbraw/zinc/33/97/48/132339748.db2.gz UVYOUTBBJYMAPE-JTQLQIEISA-N 1 0 224.735 2.447 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1ccc(Cl)c(F)c1 ZINC000035994143 132340089 /nfs/dbraw/zinc/34/00/89/132340089.db2.gz VNFJVUAMNMWJRT-QMMMGPOBSA-N 1 0 228.698 2.277 10 0 BEAERO CC[C@H]1CN(c2ccccc2[C@@H](C)[NH3+])CCO1 ZINC000036770081 132342840 /nfs/dbraw/zinc/34/28/40/132342840.db2.gz YSPDYLXFXPEEJA-NEPJUHHUSA-N 1 0 234.343 2.322 10 0 BEAERO C[NH2+]C1CCN(c2ccc(C)cc2F)CC1 ZINC000037242223 132343884 /nfs/dbraw/zinc/34/38/84/132343884.db2.gz WHLNBBVGCOAVOM-UHFFFAOYSA-N 1 0 222.307 2.322 10 0 BEAERO C[NH2+]C1CCN(c2cc(C)ccc2C)CC1 ZINC000037240202 132344022 /nfs/dbraw/zinc/34/40/22/132344022.db2.gz UQNVMAFRRMTMAM-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO CCn1ccc2c1cccc2N1CC[NH2+]CC1 ZINC000039102892 132350351 /nfs/dbraw/zinc/35/03/51/132350351.db2.gz RJNBEDAGIQODEK-UHFFFAOYSA-N 1 0 229.327 2.071 10 0 BEAERO CCC1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000042446143 132352210 /nfs/dbraw/zinc/35/22/10/132352210.db2.gz QBQDNDHQVSNHCU-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO Cc1c(F)cccc1N1CCC([NH3+])CC1 ZINC000043321283 132352920 /nfs/dbraw/zinc/35/29/20/132352920.db2.gz MQFZQLLDZXSFKA-UHFFFAOYSA-N 1 0 208.280 2.062 10 0 BEAERO CN1c2ccccc2[C@H]([NH2+][C@H]2CC2(C)C)CC1=O ZINC000045117711 132354617 /nfs/dbraw/zinc/35/46/17/132354617.db2.gz KYXXRDJWYPIYAZ-YPMHNXCESA-N 1 0 244.338 2.482 10 0 BEAERO [NH3+]CCCCCN1c2ccccc2CCC1=O ZINC000049580820 132356336 /nfs/dbraw/zinc/35/63/36/132356336.db2.gz AJCUBAZLSIWYAV-UHFFFAOYSA-N 1 0 232.327 2.095 10 0 BEAERO [NH2+]=C1CCCCN1c1ccc2c(c1)OCCO2 ZINC000049584008 132356339 /nfs/dbraw/zinc/35/63/39/132356339.db2.gz IKEMYKXFQIYYLZ-UHFFFAOYSA-N 1 0 232.283 2.425 10 0 BEAERO COc1ccccc1N1CC[C@@H]([NH3+])C[C@H]1C ZINC000049694237 132356700 /nfs/dbraw/zinc/35/67/00/132356700.db2.gz RTAIYGMYCYCBOR-GHMZBOCLSA-N 1 0 220.316 2.011 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2OC)C[C@@H]1C ZINC000049694230 132356764 /nfs/dbraw/zinc/35/67/64/132356764.db2.gz YAXANNIALANOIN-RYUDHWBXSA-N 1 0 234.343 2.129 10 0 BEAERO C[C@@H]1CN(c2ccc(F)c(F)c2F)CC[C@@H]1[NH3+] ZINC000049707786 132356981 /nfs/dbraw/zinc/35/69/81/132356981.db2.gz NZMMGOUOTBQFSS-APPZFPTMSA-N 1 0 244.260 2.277 10 0 BEAERO C[NH2+][C@H]1CCN(c2cc(C)ccc2OC)C[C@H]1C ZINC000049707766 132356994 /nfs/dbraw/zinc/35/69/94/132356994.db2.gz ZYBIHBYJGZZEIL-OLZOCXBDSA-N 1 0 248.370 2.438 10 0 BEAERO CCOc1ccccc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049708170 132357000 /nfs/dbraw/zinc/35/70/00/132357000.db2.gz XIYGATVLSCMJAV-RYUDHWBXSA-N 1 0 234.343 2.401 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(F)c(F)c1 ZINC000049708802 132357181 /nfs/dbraw/zinc/35/71/81/132357181.db2.gz NTBXQXCQOOBORR-BDAKNGLRSA-N 1 0 226.270 2.281 10 0 BEAERO Cc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1F ZINC000049708846 132357190 /nfs/dbraw/zinc/35/71/90/132357190.db2.gz VMMZLNXKLYHTEC-MFKMUULPSA-N 1 0 222.307 2.308 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2F)C[C@@H]1C ZINC000049708718 132357196 /nfs/dbraw/zinc/35/71/96/132357196.db2.gz ZCCYFEFEMXLXBG-JQWIXIFHSA-N 1 0 222.307 2.260 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc(F)c(F)c1 ZINC000049708801 132357210 /nfs/dbraw/zinc/35/72/10/132357210.db2.gz NTBXQXCQOOBORR-DTWKUNHWSA-N 1 0 226.270 2.281 10 0 BEAERO Cc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)c(F)c1 ZINC000049710027 132357577 /nfs/dbraw/zinc/35/75/77/132357577.db2.gz QUPNYNNMJKJDTQ-PWSUYJOCSA-N 1 0 222.307 2.308 10 0 BEAERO COCc1cccc(N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000049713766 132357871 /nfs/dbraw/zinc/35/78/71/132357871.db2.gz SWDKZILRJMWOEY-FZMZJTMJSA-N 1 0 234.343 2.007 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1cccc(F)c1F ZINC000049713154 132357885 /nfs/dbraw/zinc/35/78/85/132357885.db2.gz NTAKBWKHBVJJPM-DTWKUNHWSA-N 1 0 226.270 2.281 10 0 BEAERO CC[C@H]1CCCN(c2cccc(C[NH3+])n2)C1 ZINC000051396972 132360337 /nfs/dbraw/zinc/36/03/37/132360337.db2.gz QZQBAPWKSQXOAL-NSHDSACASA-N 1 0 219.332 2.167 10 0 BEAERO C[NH2+]Cc1ccnc(N2CCCC[C@H]2C)c1 ZINC000051399382 132360816 /nfs/dbraw/zinc/36/08/16/132360816.db2.gz QUKWDVAMMNTDEX-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1cccnc1N1CCCCC1 ZINC000051435994 132360928 /nfs/dbraw/zinc/36/09/28/132360928.db2.gz DNMAGCPDVABTIT-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO C[NH2+]Cc1nc(N2CCCCC2)ccc1Cl ZINC000051436019 132361012 /nfs/dbraw/zinc/36/10/12/132361012.db2.gz CIRVOEIYGGLNKW-UHFFFAOYSA-N 1 0 239.750 2.445 10 0 BEAERO CC[C@H]1CCCN(c2ccnc(C[NH2+]C)c2)C1 ZINC000051445923 132361312 /nfs/dbraw/zinc/36/13/12/132361312.db2.gz OKSQNPGNBLNPOT-LBPRGKRZSA-N 1 0 233.359 2.427 10 0 BEAERO C[C@@H]1CCN(c2cccc(C[NH3+])n2)[C@H](C)C1 ZINC000051748727 132361822 /nfs/dbraw/zinc/36/18/22/132361822.db2.gz IZUQMNWJDOLBRD-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO Cc1ccc(C)c(N2CCC[C@@H]([NH3+])C2)c1 ZINC000053302959 132362988 /nfs/dbraw/zinc/36/29/88/132362988.db2.gz RBSAGXDWBYNQLI-GFCCVEGCSA-N 1 0 204.317 2.231 10 0 BEAERO Cc1cccc(N2CCC[C@H]([NH3+])C2)c1C ZINC000053328067 132363006 /nfs/dbraw/zinc/36/30/06/132363006.db2.gz WFYRUPNFVOZZKF-LBPRGKRZSA-N 1 0 204.317 2.231 10 0 BEAERO CC[NH2+]C[C@@H]1CCCCN1c1cc(C)nc(C)n1 ZINC000053698050 132363115 /nfs/dbraw/zinc/36/31/15/132363115.db2.gz KIRRHNJVOLFVRQ-ZDUSSCGKSA-N 1 0 248.374 2.062 10 0 BEAERO CCC[NH2+]C[C@H]1CCCN(c2cc(C)ncn2)C1 ZINC000053701595 132363118 /nfs/dbraw/zinc/36/31/18/132363118.db2.gz MRQRMLBECMCEEL-CYBMUJFWSA-N 1 0 248.374 2.001 10 0 BEAERO CC[C@H]([NH3+])Cc1cc(C)nc(N2CCCCC2)n1 ZINC000054836049 132365163 /nfs/dbraw/zinc/36/51/63/132365163.db2.gz DHXRLBHPEGSHMY-LBPRGKRZSA-N 1 0 248.374 2.055 10 0 BEAERO Cc1ccc(N2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000055235170 132365391 /nfs/dbraw/zinc/36/53/91/132365391.db2.gz COQFTKBMUXIPRM-LBPRGKRZSA-N 1 0 204.317 2.231 10 0 BEAERO Cc1ccc(N2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000055235173 132365392 /nfs/dbraw/zinc/36/53/92/132365392.db2.gz COQFTKBMUXIPRM-GFCCVEGCSA-N 1 0 204.317 2.231 10 0 BEAERO [NH3+][C@@H]1CCN(c2ccc(N3CCCCC3)cc2)C1 ZINC000057955969 132367562 /nfs/dbraw/zinc/36/75/62/132367562.db2.gz JXHARFPPZDVSFH-CYBMUJFWSA-N 1 0 245.370 2.214 10 0 BEAERO Cc1ccc(N2CC[NH2+]C(C)(C)C2)cc1C ZINC000058442595 132368174 /nfs/dbraw/zinc/36/81/74/132368174.db2.gz JLNAONNRGWCBJN-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO CC(C)[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000058111896 132368069 /nfs/dbraw/zinc/36/80/69/132368069.db2.gz HTGQSNVLSVLVHX-AWEZNQCLSA-N 1 0 232.327 2.251 10 0 BEAERO COc1cccc(N2CC(C)(C)[NH2+]C[C@@H]2C)c1 ZINC000058445774 132368104 /nfs/dbraw/zinc/36/81/04/132368104.db2.gz QRCHNNIVDUOVDY-NSHDSACASA-N 1 0 234.343 2.272 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1c1ccc(F)cc1 ZINC000058444124 132368255 /nfs/dbraw/zinc/36/82/55/132368255.db2.gz DOFJISXIXMXKPT-SNVBAGLBSA-N 1 0 222.307 2.402 10 0 BEAERO Cc1cc(N)ccc1N1CCC(C[NH+](C)C)CC1 ZINC000058945856 132368509 /nfs/dbraw/zinc/36/85/09/132368509.db2.gz XFNCPMPLVFZGEA-UHFFFAOYSA-N 1 0 247.386 2.355 10 0 BEAERO CC[C@H]1CCCCN1c1ccnc(C(N)=[NH2+])c1 ZINC000061814063 132387115 /nfs/dbraw/zinc/38/71/15/132387115.db2.gz TWNMLBDEBXDIOG-JTQLQIEISA-N 1 0 232.331 2.135 10 0 BEAERO CC[C@@H]([NH2+]C)c1ccc2c(c1)CCC(=O)N2C ZINC000062806576 132388499 /nfs/dbraw/zinc/38/84/99/132388499.db2.gz FUNQRJRWOQOCPP-GFCCVEGCSA-N 1 0 232.327 2.266 10 0 BEAERO CCC[NH2+]C[C@H]1CCCN(c2ncc(C)cn2)C1 ZINC000063049341 132388889 /nfs/dbraw/zinc/38/88/89/132388889.db2.gz XAYHTWUWLPTRMC-CYBMUJFWSA-N 1 0 248.374 2.001 10 0 BEAERO Cc1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000063201222 132389218 /nfs/dbraw/zinc/38/92/18/132389218.db2.gz WBFJPEWKEZLHHN-AWEZNQCLSA-N 1 0 245.370 2.358 10 0 BEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1cnccc1C ZINC000071414321 132392408 /nfs/dbraw/zinc/39/24/08/132392408.db2.gz SULKAYXCEHCMEY-AGUYFDCRSA-N 1 0 245.370 2.499 10 0 BEAERO [NH3+][C@H]1CC[C@H](N2CCCc3ccccc32)C1 ZINC000071519877 132393240 /nfs/dbraw/zinc/39/32/40/132393240.db2.gz VIRUXAGBGZADNB-STQMWFEESA-N 1 0 216.328 2.319 10 0 BEAERO C[C@H]1CN(c2ccc(F)cc2F)[C@@H](C)C[NH2+]1 ZINC000071532803 132393978 /nfs/dbraw/zinc/39/39/78/132393978.db2.gz NCOLLMFYEJVOME-IUCAKERBSA-N 1 0 226.270 2.151 10 0 BEAERO CC[C@@H]1CN(c2cc(F)cc(F)c2)CC[NH2+]1 ZINC000083060089 132419351 /nfs/dbraw/zinc/41/93/51/132419351.db2.gz NQGNMAIWLQZITJ-LLVKDONJSA-N 1 0 226.270 2.153 10 0 BEAERO CC(C)[C@H]1CN(c2cccc(F)c2)CC[NH2+]1 ZINC000083059311 132419525 /nfs/dbraw/zinc/41/95/25/132419525.db2.gz AGRVGXVSPLMDSF-CYBMUJFWSA-N 1 0 222.307 2.260 10 0 BEAERO CC[C@@H]1CN(c2ccccc2F)[C@H](C)C[NH2+]1 ZINC000083088304 132419918 /nfs/dbraw/zinc/41/99/18/132419918.db2.gz LBVXDEXZPRNIEH-GHMZBOCLSA-N 1 0 222.307 2.402 10 0 BEAERO CC[C@@H]1CN(c2cccc(OC)n2)[C@@H](CC)C[NH2+]1 ZINC000083381595 132425890 /nfs/dbraw/zinc/42/58/90/132425890.db2.gz JWIHCKWLGSOTJV-NEPJUHHUSA-N 1 0 249.358 2.057 10 0 BEAERO Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1CC[NH3+] ZINC000104268766 132435472 /nfs/dbraw/zinc/43/54/72/132435472.db2.gz KEJQUBLWDDKXQU-BETUJISGSA-N 1 0 248.370 2.110 10 0 BEAERO CC[C@@H](C(N)=[NH2+])N1C[C@H](C)Cc2ccccc21 ZINC000104183474 132435756 /nfs/dbraw/zinc/43/57/56/132435756.db2.gz FCOYEVOMOFWPCY-PWSUYJOCSA-N 1 0 231.343 2.400 10 0 BEAERO CC(C)CC[NH2+]C[C@@H](O)c1ccc(F)c(N)c1 ZINC000098126595 166860604 /nfs/dbraw/zinc/86/06/04/166860604.db2.gz ZVWPKOKSRKZFRP-CYBMUJFWSA-N 1 0 240.322 2.077 10 0 BEAERO C[C@H]1CC[C@@H]([NH+]2CCC(C)(CO)CC2)C1 ZINC000334243287 133592284 /nfs/dbraw/zinc/59/22/84/133592284.db2.gz RCBZRHUSWLUHFT-NWDGAFQWSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CCS1 ZINC000336001769 134047727 /nfs/dbraw/zinc/04/77/27/134047727.db2.gz DIWOJHANHKHECE-RYUDHWBXSA-N 1 0 229.389 2.383 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CC=CC1 ZINC000336002530 134047924 /nfs/dbraw/zinc/04/79/24/134047924.db2.gz LBNCUEKFHYQLSD-JSGCOSHPSA-N 1 0 248.370 2.038 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000336131880 134094630 /nfs/dbraw/zinc/09/46/30/134094630.db2.gz IQJNWQDSIVKUBA-NWDGAFQWSA-N 1 0 211.349 2.412 10 0 BEAERO CN1CC[C@H]2CC[N@H+](CC3(C)CCC3)[C@H]2C1 ZINC000336138268 134096570 /nfs/dbraw/zinc/09/65/70/134096570.db2.gz LPOXTYGRQMSUSW-STQMWFEESA-N 1 0 222.376 2.203 10 0 BEAERO CO[C@@H]1COC[C@@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000336188774 134122338 /nfs/dbraw/zinc/12/23/38/134122338.db2.gz ALGVPAIDXYGIMC-QWHCGFSZSA-N 1 0 239.359 2.056 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@@H](C)CC ZINC000193245245 134139681 /nfs/dbraw/zinc/13/96/81/134139681.db2.gz ZVCOFQIPKJZBQL-STQMWFEESA-N 1 0 231.380 2.142 10 0 BEAERO Cn1ccnc1C[NH2+]CCCC1CCCC1 ZINC000218212601 134252657 /nfs/dbraw/zinc/25/26/57/134252657.db2.gz KJSMSFSJYITNCZ-UHFFFAOYSA-N 1 0 221.348 2.480 10 0 BEAERO CCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175048597 134284481 /nfs/dbraw/zinc/28/44/81/134284481.db2.gz NZNLSCTXRXXHJB-QWHCGFSZSA-N 1 0 238.375 2.262 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1nnc2n1CCCC2 ZINC000178075023 134303128 /nfs/dbraw/zinc/30/31/28/134303128.db2.gz DWZNCKRENSNTLC-WDEREUQCSA-N 1 0 248.374 2.454 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCC1CC1)CC2 ZINC000220406061 134305466 /nfs/dbraw/zinc/30/54/66/134305466.db2.gz FGIPUCAFIZMHPC-ZIAGYGMSSA-N 1 0 223.360 2.414 10 0 BEAERO COCCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178361322 134309131 /nfs/dbraw/zinc/30/91/31/134309131.db2.gz WHTBTUWBIUHGOD-GLQYFDAESA-N 1 0 249.354 2.049 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCCOC2)o1 ZINC000220915785 134314880 /nfs/dbraw/zinc/31/48/80/134314880.db2.gz OMEHSFOKJTXAEW-GHMZBOCLSA-N 1 0 224.304 2.060 10 0 BEAERO COCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220932139 134315404 /nfs/dbraw/zinc/31/54/04/134315404.db2.gz YJZBCRREMBCXNZ-SCZZXKLOSA-N 1 0 212.293 2.059 10 0 BEAERO O=C1CCCCN1C1CC[NH+](C2CCC2)CC1 ZINC000179581500 134321879 /nfs/dbraw/zinc/32/18/79/134321879.db2.gz GGTVZECZWNNYIM-UHFFFAOYSA-N 1 0 236.359 2.016 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000224877527 134348527 /nfs/dbraw/zinc/34/85/27/134348527.db2.gz NCQLENVFLLFVAP-KOLCDFICSA-N 1 0 237.299 2.344 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225338211 134354810 /nfs/dbraw/zinc/35/48/10/134354810.db2.gz RSOCTRXOCVAOKO-WDSKDSINSA-N 1 0 202.710 2.295 10 0 BEAERO CC(C)n1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cn1 ZINC000226240969 134362020 /nfs/dbraw/zinc/36/20/20/134362020.db2.gz CSYMIXWSBXVSHQ-AAEUAGOBSA-N 1 0 237.347 2.121 10 0 BEAERO CCCC[N@@H+]1CC[C@@H](CC(=O)OC)[C@@H](C)C1 ZINC000226858986 134370203 /nfs/dbraw/zinc/37/02/03/134370203.db2.gz XKVHQYHGCYQMOQ-RYUDHWBXSA-N 1 0 227.348 2.308 10 0 BEAERO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000185589654 134382001 /nfs/dbraw/zinc/38/20/01/134382001.db2.gz QSLUOQLRIRVVCQ-ZYHUDNBSSA-N 1 0 248.374 2.313 10 0 BEAERO Cc1cccc(OCC[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000227572207 134383319 /nfs/dbraw/zinc/38/33/19/134383319.db2.gz KDQLDKGPMHRTNT-AWEZNQCLSA-N 1 0 249.354 2.078 10 0 BEAERO C[C@H](O)CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000227572583 134383447 /nfs/dbraw/zinc/38/34/47/134383447.db2.gz QCNPTNIGCZPCDU-GXFFZTMASA-N 1 0 235.327 2.130 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000227573029 134384274 /nfs/dbraw/zinc/38/42/74/134384274.db2.gz HZHZCIHOQWYCMD-CYBMUJFWSA-N 1 0 245.366 2.380 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccno1 ZINC000227599922 134387281 /nfs/dbraw/zinc/38/72/81/134387281.db2.gz HDNXWJMKSMZNLL-CHWSQXEVSA-N 1 0 249.358 2.123 10 0 BEAERO Cc1nn(C)cc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000227772847 134393731 /nfs/dbraw/zinc/39/37/31/134393731.db2.gz LZLDBDKQRMKCGQ-SECBINFHSA-N 1 0 248.305 2.113 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)CCC ZINC000227905598 134398459 /nfs/dbraw/zinc/39/84/59/134398459.db2.gz BGPPYHSNEGMPFA-STQMWFEESA-N 1 0 231.380 2.284 10 0 BEAERO CC(C)NC(=O)CC[NH2+]CC1CCC(C)CC1 ZINC000063145358 134510342 /nfs/dbraw/zinc/51/03/42/134510342.db2.gz ODEJUVVIQRBRPP-UHFFFAOYSA-N 1 0 240.391 2.317 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2O)CC1 ZINC000063145630 134510923 /nfs/dbraw/zinc/51/09/23/134510923.db2.gz AULFHLDQQQBNHF-TUUUFIMRSA-N 1 0 211.349 2.316 10 0 BEAERO COC[C@H](CCO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230665231 134519410 /nfs/dbraw/zinc/51/94/10/134519410.db2.gz PDBBXCRSBRHIOH-AGIUHOORSA-N 1 0 243.391 2.188 10 0 BEAERO CCCn1ccc(C[NH2+]CCC[C@H](C)CO)c1 ZINC000233384206 134562577 /nfs/dbraw/zinc/56/25/77/134562577.db2.gz HTTPKQJJQIBYMN-ZDUSSCGKSA-N 1 0 238.375 2.396 10 0 BEAERO CC[C@H]([NH2+]C[C@@H](C)O)c1cccc(OC)c1 ZINC000131141969 134627012 /nfs/dbraw/zinc/62/70/12/134627012.db2.gz NHBVLOOCQXJOHC-MFKMUULPSA-N 1 0 223.316 2.117 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000052762095 134712010 /nfs/dbraw/zinc/71/20/10/134712010.db2.gz BRTSHZYWQUBPQQ-CQSZACIVSA-N 1 0 249.354 2.302 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054078868 134754636 /nfs/dbraw/zinc/75/46/36/134754636.db2.gz ANVZJCKCXRSQJJ-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO Cn1cncc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136698112 134776747 /nfs/dbraw/zinc/77/67/47/134776747.db2.gz BGPBRZZSGCFIKJ-LBPRGKRZSA-N 1 0 249.358 2.002 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccnc1 ZINC000245581165 134859694 /nfs/dbraw/zinc/85/96/94/134859694.db2.gz BMWILGRRLHXLQZ-UBHSHLNASA-N 1 0 234.343 2.283 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1nc2ccccc2o1 ZINC000070010602 134906974 /nfs/dbraw/zinc/90/69/74/134906974.db2.gz OOQWBORDUPEOHV-VIFPVBQESA-N 1 0 219.288 2.223 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000070643719 135001751 /nfs/dbraw/zinc/00/17/51/135001751.db2.gz PKZKULUKLBDYCT-FRRDWIJNSA-N 1 0 222.376 2.391 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@H](C)CC ZINC000248650194 135018453 /nfs/dbraw/zinc/01/84/53/135018453.db2.gz LSVNFLHKTBAHMA-FRRDWIJNSA-N 1 0 231.380 2.188 10 0 BEAERO CCC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000248960130 135028048 /nfs/dbraw/zinc/02/80/48/135028048.db2.gz BWXYLWPEXUFDFJ-JSGCOSHPSA-N 1 0 249.358 2.135 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H](O)C1CCCCC1 ZINC000249143042 135034815 /nfs/dbraw/zinc/03/48/15/135034815.db2.gz WLAAGZQFIARUNZ-YRGRVCCFSA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@](C)(O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000249340081 135037260 /nfs/dbraw/zinc/03/72/60/135037260.db2.gz IVPNHRHASFGJLV-AVGNSLFASA-N 1 0 211.349 2.269 10 0 BEAERO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000249492154 135040126 /nfs/dbraw/zinc/04/01/26/135040126.db2.gz ZVTFWQCZOGUEOU-JHJVBQTASA-N 1 0 243.391 2.283 10 0 BEAERO c1ccc([C@@H]2C[C@@H]2N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250810215 135058757 /nfs/dbraw/zinc/05/87/57/135058757.db2.gz KTGJQFLNFRYMSM-JYJNAYRXSA-N 1 0 242.366 2.323 10 0 BEAERO CC(C)CCC[C@H](C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251360095 135069289 /nfs/dbraw/zinc/06/92/89/135069289.db2.gz DDIXCODXNACCQA-RWMBFGLXSA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nnc3n2CCC3)C1 ZINC000251772863 135076201 /nfs/dbraw/zinc/07/62/01/135076201.db2.gz WDNSBQPYMYLMRW-IJLUTSLNSA-N 1 0 248.374 2.454 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000251753371 135076837 /nfs/dbraw/zinc/07/68/37/135076837.db2.gz USFWPTRTEJOWRD-FVCCEPFGSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H](CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)C(C)(C)C ZINC000251843718 135078812 /nfs/dbraw/zinc/07/88/12/135078812.db2.gz QSYKXWWMVHIUMH-WOPDTQHZSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCC[C@H]2O)C1 ZINC000252129327 135084929 /nfs/dbraw/zinc/08/49/29/135084929.db2.gz LVCAEQMGORRQRM-QNWHQSFQSA-N 1 0 211.349 2.268 10 0 BEAERO COc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2O)cc1 ZINC000252387901 135088083 /nfs/dbraw/zinc/08/80/83/135088083.db2.gz BOBKZGXFIZXHBY-UONOGXRCSA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccccc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000252393279 135088086 /nfs/dbraw/zinc/08/80/86/135088086.db2.gz YRZGTTZBANNEMK-QWHCGFSZSA-N 1 0 235.327 2.040 10 0 BEAERO CC[C@H](COC)[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000252711087 135099598 /nfs/dbraw/zinc/09/95/98/135099598.db2.gz INEDFMQRJOZKJT-UPJWGTAASA-N 1 0 229.364 2.062 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCSC ZINC000086929615 135102472 /nfs/dbraw/zinc/10/24/72/135102472.db2.gz PSSMYUISDWGELX-CHWSQXEVSA-N 1 0 242.432 2.298 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)N2CCCC2)C1 ZINC000252729748 135103786 /nfs/dbraw/zinc/10/37/86/135103786.db2.gz ICWRNUJDKXNTMD-UPJWGTAASA-N 1 0 238.375 2.166 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC[S@@](C)=O)C1 ZINC000252742257 135106534 /nfs/dbraw/zinc/10/65/34/135106534.db2.gz JSSGBLXLJJLTSC-MCYUEQNJSA-N 1 0 231.405 2.312 10 0 BEAERO c1ccc([C@H]([NH2+]C2COC2)C2CC2)cc1 ZINC000087194974 135112408 /nfs/dbraw/zinc/11/24/08/135112408.db2.gz XUONILJPYMVOIA-ZDUSSCGKSA-N 1 0 203.285 2.126 10 0 BEAERO c1ccc([C@@H]([NH2+]C2COC2)C2CC2)cc1 ZINC000087194975 135112441 /nfs/dbraw/zinc/11/24/41/135112441.db2.gz XUONILJPYMVOIA-CYBMUJFWSA-N 1 0 203.285 2.126 10 0 BEAERO CSCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253094229 135121593 /nfs/dbraw/zinc/12/15/93/135121593.db2.gz NGGXQHWCJZPCST-YNEHKIRRSA-N 1 0 243.416 2.365 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)CC[C@H]1O ZINC000253236183 135124742 /nfs/dbraw/zinc/12/47/42/135124742.db2.gz DYBHPPXEOJWDLA-UXIGCNINSA-N 1 0 231.339 2.029 10 0 BEAERO CC[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000253549574 135127941 /nfs/dbraw/zinc/12/79/41/135127941.db2.gz TUSURIYFFDMRBX-AVGNSLFASA-N 1 0 238.375 2.118 10 0 BEAERO COC(=O)[C@@H]1CCCCC[N@@H+]1C1CCCC1 ZINC000259565821 135143123 /nfs/dbraw/zinc/14/31/23/135143123.db2.gz ABOVDRCRODFQAV-LBPRGKRZSA-N 1 0 225.332 2.347 10 0 BEAERO C[C@@H](CN)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000261527306 135151379 /nfs/dbraw/zinc/15/13/79/135151379.db2.gz PTSBPYQEFLUMPQ-VHSXEESVSA-N 1 0 220.307 2.091 10 0 BEAERO C[C@H](C[S@@](C)=O)[NH2+]CC1CCC(C)CC1 ZINC000164293119 135217910 /nfs/dbraw/zinc/21/79/10/135217910.db2.gz YPDDQYYSYWGIOD-HMILFGGKSA-N 1 0 231.405 2.169 10 0 BEAERO CC1(C)CN(c2nccc3occc32)CC[C@H]1[NH3+] ZINC000261578817 135219809 /nfs/dbraw/zinc/21/98/09/135219809.db2.gz PDYNQDMLBHGACV-GFCCVEGCSA-N 1 0 245.326 2.391 10 0 BEAERO CCC[C@H](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261671025 135245074 /nfs/dbraw/zinc/24/50/74/135245074.db2.gz AEIVCRUEBPPDLS-NWDGAFQWSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@H](C)C1CCCCC1 ZINC000261728380 135248039 /nfs/dbraw/zinc/24/80/39/135248039.db2.gz FSTDVVVOSFTGPH-SDDRHHMPSA-N 1 0 240.391 2.445 10 0 BEAERO Cc1ccc2c(c1)CCN2C[C@@H]1CCC[NH2+]C1 ZINC000261772258 135251710 /nfs/dbraw/zinc/25/17/10/135251710.db2.gz DUOCEEHWHCEVGQ-CYBMUJFWSA-N 1 0 230.355 2.357 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164424834 135256555 /nfs/dbraw/zinc/25/65/55/135256555.db2.gz RDSBOKZHTXZMQT-RYUDHWBXSA-N 1 0 246.354 2.028 10 0 BEAERO Cc1cc(C)cc(N(C)C(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000164482264 135359622 /nfs/dbraw/zinc/35/96/22/135359622.db2.gz LELKEMYDMQHUOM-LBPRGKRZSA-N 1 0 246.354 2.122 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000080456586 135374627 /nfs/dbraw/zinc/37/46/27/135374627.db2.gz ZILZQYBJUOCBDI-IKWCTNDRSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1conc1C ZINC000334173989 135398322 /nfs/dbraw/zinc/39/83/22/135398322.db2.gz BXHRGMODRHTQDB-KBPBESRZSA-N 1 0 249.358 2.042 10 0 BEAERO COC(C)(C)C[C@H](C)[NH2+]CC1CCOCC1 ZINC000082544337 135439383 /nfs/dbraw/zinc/43/93/83/135439383.db2.gz CHGJYYAOHGDUFO-NSHDSACASA-N 1 0 229.364 2.206 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(F)c1F ZINC000085369835 135482688 /nfs/dbraw/zinc/48/26/88/135482688.db2.gz FAEAZFQFCGHJBF-CBAPKCEASA-N 1 0 240.253 2.031 10 0 BEAERO CCc1csc(N[C@@H](C)CCC[NH3+])n1 ZINC000087362221 135505524 /nfs/dbraw/zinc/50/55/24/135505524.db2.gz VJEWYPSFXVAPHN-QMMMGPOBSA-N 1 0 213.350 2.245 10 0 BEAERO CCCN(CC1CC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451110 135536050 /nfs/dbraw/zinc/53/60/50/135536050.db2.gz INWBEKQLLHPPEW-CHWSQXEVSA-N 1 0 238.375 2.010 10 0 BEAERO CC[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000089747700 135541128 /nfs/dbraw/zinc/54/11/28/135541128.db2.gz HTKZHHBRZINALU-JSGCOSHPSA-N 1 0 246.354 2.254 10 0 BEAERO Cc1cc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)no1 ZINC000090253515 135548714 /nfs/dbraw/zinc/54/87/14/135548714.db2.gz JBLSHXYBIXVKSK-VIFPVBQESA-N 1 0 245.282 2.255 10 0 BEAERO CC[C@H](COC)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000090773305 135552869 /nfs/dbraw/zinc/55/28/69/135552869.db2.gz LBOUUJXFLKKWCY-ZIAGYGMSSA-N 1 0 242.407 2.121 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+]C2COC2)C12CCCCC2 ZINC000094710076 135616434 /nfs/dbraw/zinc/61/64/34/135616434.db2.gz MQPRFZHQCYLRCW-QWHCGFSZSA-N 1 0 239.359 2.103 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC000097602893 135631395 /nfs/dbraw/zinc/63/13/95/135631395.db2.gz MLQDXMXDHLRZFH-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@@H]([NH3+])CNc1nc2ccccc2nc1C ZINC000113452408 135941315 /nfs/dbraw/zinc/94/13/15/135941315.db2.gz REJVENQNFKAUOM-SNVBAGLBSA-N 1 0 230.315 2.087 10 0 BEAERO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CCCO1 ZINC000335318697 136026172 /nfs/dbraw/zinc/02/61/72/136026172.db2.gz ZDJMHWUZRRWBBU-VXGBXAGGSA-N 1 0 209.333 2.430 10 0 BEAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@H]2CC)n1C ZINC000348149134 136039850 /nfs/dbraw/zinc/03/98/50/136039850.db2.gz IZAZXXNNNJQIIT-GHMZBOCLSA-N 1 0 236.363 2.046 10 0 BEAERO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000348261895 136057956 /nfs/dbraw/zinc/05/79/56/136057956.db2.gz HKHANGVFQGSYKQ-GRYCIOLGSA-N 1 0 225.332 2.203 10 0 BEAERO COC[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2O ZINC000045657350 322844124 /nfs/dbraw/zinc/84/41/24/322844124.db2.gz AQRSJSQVCDYMLN-GWCFXTLKSA-N 1 0 235.327 2.252 10 0 BEAERO COc1cc(CNc2cc[nH+]cc2)ccn1 ZINC000062055055 1172733532 /nfs/dbraw/zinc/73/35/32/1172733532.db2.gz KWMRFVFNWXIGSM-UHFFFAOYSA-N 1 0 215.256 2.097 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000061589452 322858878 /nfs/dbraw/zinc/85/88/78/322858878.db2.gz YMMXGFKNTQBGOO-GMTAPVOTSA-N 1 0 215.362 2.039 10 0 BEAERO [NH3+][C@@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381590593 397761879 /nfs/dbraw/zinc/76/18/79/397761879.db2.gz LITLLXCFUNTQPF-WDEREUQCSA-N 1 0 232.318 2.235 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCOC(C)C ZINC000175335902 397771419 /nfs/dbraw/zinc/77/14/19/397771419.db2.gz PRQDECNGGXXQLO-CQSZACIVSA-N 1 0 242.407 2.218 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000300907631 397784278 /nfs/dbraw/zinc/78/42/78/397784278.db2.gz JRUYUNUHWYPYFL-GRYCIOLGSA-N 1 0 209.333 2.334 10 0 BEAERO C[C@H]([N@H+](C)C[C@H](O)COC(C)(C)C)C1(C)CC1 ZINC000176931668 397785588 /nfs/dbraw/zinc/78/55/88/397785588.db2.gz CDSVQLXJUKHCHH-RYUDHWBXSA-N 1 0 243.391 2.283 10 0 BEAERO C[C@@H]([N@H+](C)C[C@H](O)COC(C)(C)C)C1(C)CC1 ZINC000176931686 397785610 /nfs/dbraw/zinc/78/56/10/397785610.db2.gz CDSVQLXJUKHCHH-NEPJUHHUSA-N 1 0 243.391 2.283 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000388710868 397847197 /nfs/dbraw/zinc/84/71/97/397847197.db2.gz REFXDBSMMKSVOR-XVSSEFHLSA-N 1 0 238.375 2.199 10 0 BEAERO COCc1nc(C[NH2+]CC[C@H](C)F)cs1 ZINC000381971087 397853083 /nfs/dbraw/zinc/85/30/83/397853083.db2.gz CAEMVKDQEOPLKS-QMMMGPOBSA-N 1 0 232.324 2.127 10 0 BEAERO C[C@H](CC[NH2+]CCC(C)(C)C)[S@@](C)=O ZINC000119209747 397882943 /nfs/dbraw/zinc/88/29/43/397882943.db2.gz WZJWNBDWIMBOPE-YGRLFVJLSA-N 1 0 219.394 2.169 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000382417765 397948158 /nfs/dbraw/zinc/94/81/58/397948158.db2.gz WHMJKXVTKZEWTE-OBPIAQAESA-N 1 0 227.348 2.100 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000120290658 397990508 /nfs/dbraw/zinc/99/05/08/397990508.db2.gz GLDSCMYJYQBWQM-SFTQSGBHSA-N 1 0 222.376 2.390 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)C1CCOCC1 ZINC000300573718 397995212 /nfs/dbraw/zinc/99/52/12/397995212.db2.gz XIKDXVGSMRFORG-FPMFFAJLSA-N 1 0 241.375 2.085 10 0 BEAERO c1ccc(CN2C[C@H]3C[NH+](C4CC4)C[C@@H]3C2)cc1 ZINC000307381770 397996578 /nfs/dbraw/zinc/99/65/78/397996578.db2.gz ZKZHQJHIHJQXOJ-GJZGRUSLSA-N 1 0 242.366 2.213 10 0 BEAERO CN1CCC[C@@H]1C[NH2+]C1(C2CCC2)CCC1 ZINC000649627596 398009193 /nfs/dbraw/zinc/00/91/93/398009193.db2.gz NOVCBGMNRJKWNQ-CYBMUJFWSA-N 1 0 222.376 2.393 10 0 BEAERO Clc1cc(Cl)cc(C2=[NH+]CCN2)c1 ZINC000307180848 398011329 /nfs/dbraw/zinc/01/13/29/398011329.db2.gz LVJMQCVEULXSNK-UHFFFAOYSA-N 1 0 215.083 2.343 10 0 BEAERO CC[C@H](NC(=O)[C@@H](C)[NH2+]C)c1ccc(C)cc1 ZINC000054073808 398025172 /nfs/dbraw/zinc/02/51/72/398025172.db2.gz SCRHVSNQQYYRNA-YPMHNXCESA-N 1 0 234.343 2.170 10 0 BEAERO [NH3+][C@@H](c1cscn1)[C@H]1CCCCS1 ZINC000307127181 397983970 /nfs/dbraw/zinc/98/39/70/397983970.db2.gz IRHOFRDXSZGBEX-BDAKNGLRSA-N 1 0 214.359 2.429 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])Cc1ccc(Br)cn1 ZINC000575582666 397984739 /nfs/dbraw/zinc/98/47/39/397984739.db2.gz QDYGPXVKPWXCOK-GMSGAONNSA-N 1 0 241.132 2.124 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000388653966 397987861 /nfs/dbraw/zinc/98/78/61/397987861.db2.gz ATEZGSDKNHYZCF-VOAKCMCISA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@H]([NH2+][C@H](C)Cc1cnccn1)C(C)C ZINC000336734992 398062008 /nfs/dbraw/zinc/06/20/08/398062008.db2.gz LJNCURSUBQHFDE-YPMHNXCESA-N 1 0 221.348 2.432 10 0 BEAERO C[C@H](C[N@@H+]1CCCC[C@@H]1CN)C(C)(C)C ZINC000389309842 398072828 /nfs/dbraw/zinc/07/28/28/398072828.db2.gz BIOPJRQWROLBEC-VXGBXAGGSA-N 1 0 212.381 2.482 10 0 BEAERO c1ccc([C@H]2N=C(CC[NH+]3CCCC3)ON2)cc1 ZINC000584613868 398077854 /nfs/dbraw/zinc/07/78/54/398077854.db2.gz LIXCEUSUXZDTDX-AWEZNQCLSA-N 1 0 245.326 2.104 10 0 BEAERO COC(=O)CCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404763 398089493 /nfs/dbraw/zinc/08/94/93/398089493.db2.gz LGXCJMXCZJIMIZ-NSHDSACASA-N 1 0 237.299 2.370 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH2+]CC1CC1)CN2 ZINC000211929682 398050926 /nfs/dbraw/zinc/05/09/26/398050926.db2.gz YRSNTXQRFCLKSF-CYBMUJFWSA-N 1 0 202.301 2.461 10 0 BEAERO Cc1ccc(-c2cnn(CCC[NH3+])c2)s1 ZINC000389654958 398117666 /nfs/dbraw/zinc/11/76/66/398117666.db2.gz YLLUCUMCHAXBDX-UHFFFAOYSA-N 1 0 221.329 2.269 10 0 BEAERO CC[C@H](C)[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC ZINC000083085102 171319770 /nfs/dbraw/zinc/31/97/70/171319770.db2.gz PWWBEEJNRJZIRS-RWMBFGLXSA-N 1 0 212.381 2.493 10 0 BEAERO Cn1c2ccccc2nc1SCCC[NH3+] ZINC000031771554 398111154 /nfs/dbraw/zinc/11/11/54/398111154.db2.gz VDLZKNXYZOLKBI-UHFFFAOYSA-N 1 0 221.329 2.014 10 0 BEAERO CC(C)C[NH2+]C[C@@H]1CNc2ccccc2O1 ZINC000040408645 167005928 /nfs/dbraw/zinc/00/59/28/167005928.db2.gz KBLCTCIFAQXIFW-LLVKDONJSA-N 1 0 220.316 2.105 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@@H](c2ccco2)C1 ZINC000375669758 167105024 /nfs/dbraw/zinc/10/50/24/167105024.db2.gz VGQMLHVQSQGRLP-GFCCVEGCSA-N 1 0 222.332 2.067 10 0 BEAERO CC(C)[NH2+]CCN(C)OCc1ccccc1 ZINC000193477188 167105530 /nfs/dbraw/zinc/10/55/30/167105530.db2.gz LGIHXTOFEQBJEA-UHFFFAOYSA-N 1 0 222.332 2.048 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCN(C(F)(F)F)C1 ZINC000095088485 167111810 /nfs/dbraw/zinc/11/18/10/167111810.db2.gz GISCAXQISVXXJU-VIFPVBQESA-N 1 0 224.270 2.216 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCN1c1ccccn1 ZINC000053694010 167114864 /nfs/dbraw/zinc/11/48/64/167114864.db2.gz PAZLHKQQLIPODS-GFCCVEGCSA-N 1 0 219.332 2.048 10 0 BEAERO CC(C)(CC[NH3+])NCc1cc(F)ccc1F ZINC000258889179 322877863 /nfs/dbraw/zinc/87/78/63/322877863.db2.gz QYELUFLXBAOFSN-UHFFFAOYSA-N 1 0 228.286 2.182 10 0 BEAERO CC(C)[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000040443670 167121424 /nfs/dbraw/zinc/12/14/24/167121424.db2.gz FGVAHCKIPSKTED-UHFFFAOYSA-N 1 0 234.328 2.098 10 0 BEAERO CC(C)[NH2+][C@H]1C[C@H](CO)c2ccccc21 ZINC000309080312 167142263 /nfs/dbraw/zinc/14/22/63/167142263.db2.gz OOPDYVJNWQPZLR-MFKMUULPSA-N 1 0 205.301 2.205 10 0 BEAERO CC(C)CC1(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000659383386 487557467 /nfs/dbraw/zinc/55/74/67/487557467.db2.gz PZXDMIMBTUFBTE-NWDGAFQWSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[C@H](C)[NH3+])cc1F ZINC000094956320 487565198 /nfs/dbraw/zinc/56/51/98/487565198.db2.gz MYTMOPRWIPTYDE-UWVGGRQHSA-N 1 0 238.306 2.049 10 0 BEAERO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000308860506 487565033 /nfs/dbraw/zinc/56/50/33/487565033.db2.gz VCQZYIGXMWTJGP-UPJWGTAASA-N 1 0 211.349 2.412 10 0 BEAERO Cc1cc(Br)cc2c1C[NH2+]CC2 ZINC000090225781 177722148 /nfs/dbraw/zinc/72/21/48/177722148.db2.gz CISXTPCBPUYQGO-UHFFFAOYSA-N 1 0 226.117 2.403 10 0 BEAERO CC(C)[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C1CC1 ZINC000324274503 487567583 /nfs/dbraw/zinc/56/75/83/487567583.db2.gz ONBSYVASRGJSKG-RTXFEEFZSA-N 1 0 211.349 2.436 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000393240985 487569099 /nfs/dbraw/zinc/56/90/99/487569099.db2.gz OBAIIYRRAPUHOF-RYUDHWBXSA-N 1 0 212.381 2.352 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000308925947 487584546 /nfs/dbraw/zinc/58/45/46/487584546.db2.gz QAPVKQRZUKGWJH-XQHKEYJVSA-N 1 0 211.349 2.268 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000304325740 487589313 /nfs/dbraw/zinc/58/93/13/487589313.db2.gz SUWDSRNNHVDQJJ-GFCCVEGCSA-N 1 0 223.364 2.463 10 0 BEAERO CC(C)OC[C@H](O)C[N@@H+]1CCCC12CCCC2 ZINC000310540122 167268224 /nfs/dbraw/zinc/26/82/24/167268224.db2.gz SJQBVXVWGDWKSH-CYBMUJFWSA-N 1 0 241.375 2.181 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(F)cc1F ZINC000658350115 487591053 /nfs/dbraw/zinc/59/10/53/487591053.db2.gz BFISABPZVWBSNI-FKTRJACZSA-N 1 0 241.281 2.386 10 0 BEAERO Cc1ccsc1[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658350278 487591707 /nfs/dbraw/zinc/59/17/07/487591707.db2.gz CHUULKDWRKXWPY-WHXUTIOJSA-N 1 0 225.357 2.478 10 0 BEAERO CC(C)SCC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000369502234 167322422 /nfs/dbraw/zinc/32/24/22/167322422.db2.gz FLYLJQQAGYTWDY-GFCCVEGCSA-N 1 0 231.405 2.222 10 0 BEAERO COCCC[NH2+]Cc1cccc2cnccc21 ZINC000061125008 487606290 /nfs/dbraw/zinc/60/62/90/487606290.db2.gz SKDNQTPOIFZRGH-UHFFFAOYSA-N 1 0 230.311 2.361 10 0 BEAERO CC(C)SCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000369504880 167328922 /nfs/dbraw/zinc/32/89/22/167328922.db2.gz VZOJEMHQWIIQDB-OLZOCXBDSA-N 1 0 242.432 2.297 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1F)c1ccncc1 ZINC000037466463 409738485 /nfs/dbraw/zinc/73/84/85/409738485.db2.gz CPIALMBHARUPRD-ZDUSSCGKSA-N 1 0 216.259 2.463 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000660833767 409814601 /nfs/dbraw/zinc/81/46/01/409814601.db2.gz VHTQXOOWLVBIJS-MGPQQGTHSA-N 1 0 223.360 2.412 10 0 BEAERO C[NH2+][C@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000394512556 487611420 /nfs/dbraw/zinc/61/14/20/487611420.db2.gz OXTMPAMNCWSEQY-NEPJUHHUSA-N 1 0 246.345 2.496 10 0 BEAERO CCOc1ccccc1[C@H]1C[NH2+]C[C@H]1CF ZINC000409422707 409995735 /nfs/dbraw/zinc/99/57/35/409995735.db2.gz JWLCAAGRENMMDA-PWSUYJOCSA-N 1 0 223.291 2.358 10 0 BEAERO Brc1csc([C@@H]2C[NH2+]CO2)c1 ZINC000082547306 166105696 /nfs/dbraw/zinc/10/56/96/166105696.db2.gz WBOAHZAYHKAJGJ-LURJTMIESA-N 1 0 234.118 2.129 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC(C2CCCC2)CC1 ZINC000655440459 410264312 /nfs/dbraw/zinc/26/43/12/410264312.db2.gz UAIMZXOFAGPXMX-LLVKDONJSA-N 1 0 238.375 2.023 10 0 BEAERO CCCN(CC1CC1)C(=O)C[C@H]([NH3+])C(C)C ZINC000128938205 410365057 /nfs/dbraw/zinc/36/50/57/410365057.db2.gz OVBKVHANWCJTDK-LBPRGKRZSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000128895484 410365570 /nfs/dbraw/zinc/36/55/70/410365570.db2.gz KGIKQETVGXBAPL-VXGBXAGGSA-N 1 0 226.364 2.151 10 0 BEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000057537296 169751139 /nfs/dbraw/zinc/75/11/39/169751139.db2.gz RMDXBWJCYNVUHV-AWEZNQCLSA-N 1 0 248.370 2.296 10 0 BEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]CCCC(C)C ZINC000037984513 169755550 /nfs/dbraw/zinc/75/55/50/169755550.db2.gz NTSLMJPFFMMYGW-GFCCVEGCSA-N 1 0 228.380 2.269 10 0 BEAERO CC(C)(C)OCc1ccccc1C(N)=[NH2+] ZINC000020516732 166684811 /nfs/dbraw/zinc/68/48/11/166684811.db2.gz DZHCUUAIQYWQHD-UHFFFAOYSA-N 1 0 206.289 2.286 10 0 BEAERO CC(C)C1CCC(O)(C[NH2+]C2CC2)CC1 ZINC000055029346 166756243 /nfs/dbraw/zinc/75/62/43/166756243.db2.gz RFUZIDIORLQIDF-UHFFFAOYSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)CC(=O)Nc1ccc(N(C)CC[NH3+])cc1 ZINC000020224735 166771152 /nfs/dbraw/zinc/77/11/52/166771152.db2.gz HDTVLVWVUHDYLZ-UHFFFAOYSA-N 1 0 249.358 2.066 10 0 BEAERO CC[C@H](C)[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000394461761 410798208 /nfs/dbraw/zinc/79/82/08/410798208.db2.gz VTYIZALLFPSHKM-TUAOUCFPSA-N 1 0 231.380 2.044 10 0 BEAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1CCCCC1(F)F ZINC000394538826 410802850 /nfs/dbraw/zinc/80/28/50/410802850.db2.gz WHQBGXOUBSPVNB-QWRGUYRKSA-N 1 0 232.318 2.235 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCN[C@@H]1C ZINC000396591932 410889292 /nfs/dbraw/zinc/88/92/92/410889292.db2.gz UBXOCDAEGVRDNI-BZPMIXESSA-N 1 0 236.359 2.331 10 0 BEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000040852388 410893620 /nfs/dbraw/zinc/89/36/20/410893620.db2.gz XXLOUANSXKGHQO-RKDXNWHRSA-N 1 0 240.734 2.255 10 0 BEAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000040852380 410894238 /nfs/dbraw/zinc/89/42/38/410894238.db2.gz XXLOUANSXKGHQO-IUCAKERBSA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)C[NH2+]CCc1nc2ccccc2n1C ZINC000074536129 167005147 /nfs/dbraw/zinc/00/51/47/167005147.db2.gz ASLXBMPTMZNHMF-UHFFFAOYSA-N 1 0 231.343 2.361 10 0 BEAERO CC(C)C[NH2+]C[C@H](c1ccccc1)n1cncn1 ZINC000052575283 167006087 /nfs/dbraw/zinc/00/60/87/167006087.db2.gz NTXXSNUKIVZPGS-CQSZACIVSA-N 1 0 244.342 2.113 10 0 BEAERO CC(C)C[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037873180 167006139 /nfs/dbraw/zinc/00/61/39/167006139.db2.gz VLTIZLLDVREUSZ-GFCCVEGCSA-N 1 0 229.270 2.244 10 0 BEAERO CC(C)C[NH2+]Cc1ccc(N2CCC[C@H]2C)nn1 ZINC000051398894 167008422 /nfs/dbraw/zinc/00/84/22/167008422.db2.gz GMIDEWVWRULTJI-GFCCVEGCSA-N 1 0 248.374 2.211 10 0 BEAERO CC(C)C[NH2+]Cc1nnnn1[C@@H](C)CC(C)C ZINC000054745179 167009708 /nfs/dbraw/zinc/00/97/08/167009708.db2.gz RDNQJUCGAQOBOY-NSHDSACASA-N 1 0 239.367 2.026 10 0 BEAERO CC(C)C[NH2+]Cc1ccnc(-c2ccncc2)n1 ZINC000054792367 167010632 /nfs/dbraw/zinc/01/06/32/167010632.db2.gz KODJRRPZALFQCY-UHFFFAOYSA-N 1 0 242.326 2.284 10 0 BEAERO CC(C)N1CC[C@H]([NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000070299223 167025534 /nfs/dbraw/zinc/02/55/34/167025534.db2.gz NYTMJOXACKSUEO-STQMWFEESA-N 1 0 240.297 2.447 10 0 BEAERO CC(C)N1C[C@@H](C)[NH2+]Cc2ccccc21 ZINC000062569227 167027929 /nfs/dbraw/zinc/02/79/29/167027929.db2.gz GXWWSOKQBIPKSB-LLVKDONJSA-N 1 0 204.317 2.393 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309330721 167028371 /nfs/dbraw/zinc/02/83/71/167028371.db2.gz HSQMEUJGSITHIQ-AGIUHOORSA-N 1 0 242.432 2.058 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2ccccn2)C1 ZINC000152428861 167028425 /nfs/dbraw/zinc/02/84/25/167028425.db2.gz UDSRNGOPELWAJJ-IPYPFGDCSA-N 1 0 247.386 2.461 10 0 BEAERO CC(C)NC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000063128230 167072118 /nfs/dbraw/zinc/07/21/18/167072118.db2.gz FKGAUTRMOLZIGC-LLVKDONJSA-N 1 0 247.342 2.057 10 0 BEAERO CC(C)NC(=O)[C@H](CCC[NH3+])c1ccccc1 ZINC000076616836 167083417 /nfs/dbraw/zinc/08/34/17/167083417.db2.gz YTLWVNZXRONSHN-CYBMUJFWSA-N 1 0 234.343 2.034 10 0 BEAERO CC(C)[NH2+]CCC(=O)N1CC[C@H](C)C[C@H]1C ZINC000051733193 167099633 /nfs/dbraw/zinc/09/96/33/167099633.db2.gz VJFVEDNMAWVPFJ-NWDGAFQWSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)[NH2+]CCCOc1cnc2ccccc2n1 ZINC000052018305 167102344 /nfs/dbraw/zinc/10/23/44/167102344.db2.gz XLEWCNRSSDBIEU-UHFFFAOYSA-N 1 0 245.326 2.397 10 0 BEAERO CC(C)[NH2+]CCN1CC2(CCC2)C[C@H]1C ZINC000309011348 167105004 /nfs/dbraw/zinc/10/50/04/167105004.db2.gz RZOOMGPJIKLPOO-GFCCVEGCSA-N 1 0 210.365 2.249 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1cccs1 ZINC000037477305 167105076 /nfs/dbraw/zinc/10/50/76/167105076.db2.gz HFVTVPROBIEXED-UHFFFAOYSA-N 1 0 212.362 2.178 10 0 BEAERO CC(C)[NH2+]CCOc1cccc(N(C)C)c1 ZINC000040714945 167109082 /nfs/dbraw/zinc/10/90/82/167109082.db2.gz JHSJKRHLGFKZHB-UHFFFAOYSA-N 1 0 222.332 2.129 10 0 BEAERO CC(C)[NH2+]CCc1nc2ccccc2[nH]1 ZINC000005882068 167109139 /nfs/dbraw/zinc/10/91/39/167109139.db2.gz YCRBGQWMGSUQQO-UHFFFAOYSA-N 1 0 203.289 2.103 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(C2CC2)cc1 ZINC000003627696 167110583 /nfs/dbraw/zinc/11/05/83/167110583.db2.gz PHTXELQMXPREHU-CQSZACIVSA-N 1 0 249.354 2.302 10 0 BEAERO CC(C)[NH2+]C[C@H](O)c1ccc2c(c1)CCC2 ZINC000049817378 167114755 /nfs/dbraw/zinc/11/47/55/167114755.db2.gz XMXWCIXMGOIJJN-AWEZNQCLSA-N 1 0 219.328 2.207 10 0 BEAERO CC(C)[NH2+]Cc1ccccc1N(CCO)C1CC1 ZINC000042480343 167121082 /nfs/dbraw/zinc/12/10/82/167121082.db2.gz XDHGRIQAAPGYLN-UHFFFAOYSA-N 1 0 248.370 2.146 10 0 BEAERO CC(C)[NH2+][C@@H](CO)c1cc2cc(O)ccc2o1 ZINC000082301350 167133144 /nfs/dbraw/zinc/13/31/44/167133144.db2.gz MMOAGMXLELZUGN-NSHDSACASA-N 1 0 235.283 2.170 10 0 BEAERO CC(C)[NH2+][C@@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976286 167133838 /nfs/dbraw/zinc/13/38/38/167133838.db2.gz LYWXYOKRHNBEAV-BZNIZROVSA-N 1 0 241.331 2.376 10 0 BEAERO CC(C)[NH2+][C@@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976290 167134586 /nfs/dbraw/zinc/13/45/86/167134586.db2.gz LYWXYOKRHNBEAV-BDJLRTHQSA-N 1 0 241.331 2.376 10 0 BEAERO CC(C)[NH2+][C@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000037869256 167141889 /nfs/dbraw/zinc/14/18/89/167141889.db2.gz WESWTAKMNHLWGA-ZWNOBZJWSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)Nc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794296 167144402 /nfs/dbraw/zinc/14/44/02/167144402.db2.gz PYRBJXUUERYVMF-UHFFFAOYSA-N 1 0 211.696 2.444 10 0 BEAERO CC(C)C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000396981420 410907794 /nfs/dbraw/zinc/90/77/94/410907794.db2.gz UOXYWPJKRXJBLQ-QWHCGFSZSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)OC(=O)Nc1ccc(F)c(C[NH3+])c1 ZINC000051635466 167165644 /nfs/dbraw/zinc/16/56/44/167165644.db2.gz PXOPWHUFMOMZAH-UHFFFAOYSA-N 1 0 226.251 2.241 10 0 BEAERO CC[NH+](CC)CCSC[C@H](O)C(C)(C)C ZINC000308790519 169782873 /nfs/dbraw/zinc/78/28/73/169782873.db2.gz ICUDHZXULCIPJV-NSHDSACASA-N 1 0 233.421 2.468 10 0 BEAERO CC[NH+](CC)CCOc1ccccc1[C@H](C)O ZINC000035199358 169783294 /nfs/dbraw/zinc/78/32/94/169783294.db2.gz ZFMMEZWBDLAZTH-LBPRGKRZSA-N 1 0 237.343 2.461 10 0 BEAERO CC[NH+](CC)CC[C@H](O)c1ccccc1OC ZINC000041629581 169784074 /nfs/dbraw/zinc/78/40/74/169784074.db2.gz FPXDVJLKFOKXRW-ZDUSSCGKSA-N 1 0 237.343 2.461 10 0 BEAERO CC(C)OCCO[C@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000020262997 167248024 /nfs/dbraw/zinc/24/80/24/167248024.db2.gz MKTMYXTZJXBILS-LSDHHAIUSA-N 1 0 249.354 2.443 10 0 BEAERO CC(C)OCCO[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042916584 167249026 /nfs/dbraw/zinc/24/90/26/167249026.db2.gz IJGILRVGQZHNHE-CYBMUJFWSA-N 1 0 241.306 2.267 10 0 BEAERO CC(C)Oc1ccccc1C[NH2+]C(C)(C)CO ZINC000026482976 167310461 /nfs/dbraw/zinc/31/04/61/167310461.db2.gz QZPOYGLKZXFNHE-UHFFFAOYSA-N 1 0 237.343 2.334 10 0 BEAERO CC(C)[C@@H](C)[N@H+](C)C1(CN)CCSCC1 ZINC000042335074 167366909 /nfs/dbraw/zinc/36/69/09/167366909.db2.gz WNEPBYUYTPKEJJ-LLVKDONJSA-N 1 0 230.421 2.187 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000309676652 167382427 /nfs/dbraw/zinc/38/24/27/167382427.db2.gz LXRYRLNODVBXEC-VXGBXAGGSA-N 1 0 221.348 2.080 10 0 BEAERO CC(C)[C@@H](C)Nc1ncnc2[nH]ccc21 ZINC000263809212 167387104 /nfs/dbraw/zinc/38/71/04/167387104.db2.gz SSBCFHGQPYOGJU-MRVPVSSYSA-N 1 0 204.277 2.414 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1cccnc1 ZINC000049195712 167395672 /nfs/dbraw/zinc/39/56/72/167395672.db2.gz SNXYUDPUIOWKHQ-TZMCWYRMSA-N 1 0 235.375 2.318 10 0 BEAERO CC(C)[C@@H](C[NH3+])n1ncc2ccccc21 ZINC000052574155 167396541 /nfs/dbraw/zinc/39/65/41/167396541.db2.gz XMGWRDZMDBPSHA-GFCCVEGCSA-N 1 0 203.289 2.192 10 0 BEAERO CC(C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000041215944 167396643 /nfs/dbraw/zinc/39/66/43/167396643.db2.gz NNUWRDACUFIQQR-SNVBAGLBSA-N 1 0 207.273 2.114 10 0 BEAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1cccc(Cl)c1 ZINC000071518917 167423405 /nfs/dbraw/zinc/42/34/05/167423405.db2.gz VQQGMLLHUVGTPB-MNOVXSKESA-N 1 0 213.708 2.357 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccco1 ZINC000165414808 167517429 /nfs/dbraw/zinc/51/74/29/167517429.db2.gz IWKOWKYFTDUKQG-WCQYABFASA-N 1 0 223.316 2.430 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000399724970 411060649 /nfs/dbraw/zinc/06/06/49/411060649.db2.gz GZPWZNCXXORWPK-VXGBXAGGSA-N 1 0 240.391 2.256 10 0 BEAERO CC[C@@H]1CN(c2nccc3occc32)CC[C@H]1[NH3+] ZINC000300099659 411082017 /nfs/dbraw/zinc/08/20/17/411082017.db2.gz OXZXXMLXPKXHLE-ZYHUDNBSSA-N 1 0 245.326 2.391 10 0 BEAERO CC(C)c1ccc(CCN(C)C(=O)CC[NH3+])cc1 ZINC000057537338 167593648 /nfs/dbraw/zinc/59/36/48/167593648.db2.gz TUKRFBGIDBMJTA-UHFFFAOYSA-N 1 0 248.370 2.160 10 0 BEAERO CC[C@]1(C)CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000399433049 411040898 /nfs/dbraw/zinc/04/08/98/411040898.db2.gz POXBBGQCTIBHIK-SGMGOOAPSA-N 1 0 238.375 2.010 10 0 BEAERO CC[C@]1(C)CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000399442756 411041508 /nfs/dbraw/zinc/04/15/08/411041508.db2.gz UTCLVSQZEDTWMB-ORHYLEIMSA-N 1 0 238.375 2.153 10 0 BEAERO CN(CCC[NH3+])c1nccc2ccccc21 ZINC000123768868 411163267 /nfs/dbraw/zinc/16/32/67/411163267.db2.gz XCBUHDGBOJHDOQ-UHFFFAOYSA-N 1 0 215.300 2.020 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000651794220 411143979 /nfs/dbraw/zinc/14/39/79/411143979.db2.gz KZRLQRFICOZYNL-VOAKCMCISA-N 1 0 238.375 2.212 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661691326 411154135 /nfs/dbraw/zinc/15/41/35/411154135.db2.gz UHUQOVYGKHSMOZ-VXGBXAGGSA-N 1 0 217.328 2.219 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661691323 411154417 /nfs/dbraw/zinc/15/44/17/411154417.db2.gz UHUQOVYGKHSMOZ-NEPJUHHUSA-N 1 0 217.328 2.219 10 0 BEAERO CC(C)[C@@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000043512516 411120470 /nfs/dbraw/zinc/12/04/70/411120470.db2.gz AQHGKIYKDJAZLU-BXUZGUMPSA-N 1 0 246.354 2.034 10 0 BEAERO CC(C)[C@@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000043512514 411120682 /nfs/dbraw/zinc/12/06/82/411120682.db2.gz AQHGKIYKDJAZLU-RISCZKNCSA-N 1 0 246.354 2.034 10 0 BEAERO CCC(CC)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000309560700 411171191 /nfs/dbraw/zinc/17/11/91/411171191.db2.gz KYYPRCFQGOBINP-GFCCVEGCSA-N 1 0 226.364 2.071 10 0 BEAERO CCOC1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000657934506 411172589 /nfs/dbraw/zinc/17/25/89/411172589.db2.gz CLSAWKCTJIZGIM-WTIISPKJSA-N 1 0 227.348 2.101 10 0 BEAERO CC(C)C[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000046061112 411177624 /nfs/dbraw/zinc/17/76/24/411177624.db2.gz FZPCUSCZJOCJFQ-ZDUSSCGKSA-N 1 0 243.391 2.283 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C/C=C\c2ccccc2)C1 ZINC000401967018 411183663 /nfs/dbraw/zinc/18/36/63/411183663.db2.gz VNYDPVWMHNWRRQ-VZFGUZNESA-N 1 0 231.339 2.403 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128929336 411190534 /nfs/dbraw/zinc/19/05/34/411190534.db2.gz VZGMPEBZFHCKJZ-MNOVXSKESA-N 1 0 214.353 2.007 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128929748 411190654 /nfs/dbraw/zinc/19/06/54/411190654.db2.gz VZGMPEBZFHCKJZ-GHMZBOCLSA-N 1 0 214.353 2.007 10 0 BEAERO CCC[C@H](C)N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128929549 411190697 /nfs/dbraw/zinc/19/06/97/411190697.db2.gz VZGMPEBZFHCKJZ-QWRGUYRKSA-N 1 0 214.353 2.007 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000658353955 411245406 /nfs/dbraw/zinc/24/54/06/411245406.db2.gz UPMQAFOWQDMUSD-WXRRBKDZSA-N 1 0 223.360 2.460 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCC1(C)CCCC1 ZINC000129067633 411218102 /nfs/dbraw/zinc/21/81/02/411218102.db2.gz DUGVRGLHFCRGRJ-LLVKDONJSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)C1CCCC1 ZINC000129079491 411218222 /nfs/dbraw/zinc/21/82/22/411218222.db2.gz SILICNBMRVOSMC-CMPLNLGQSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C(C)C ZINC000129114084 411229884 /nfs/dbraw/zinc/22/98/84/411229884.db2.gz IDGPTGKSSFIXSZ-RYUDHWBXSA-N 1 0 226.364 2.007 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CS1 ZINC000655698504 411247998 /nfs/dbraw/zinc/24/79/98/411247998.db2.gz GLPHYOQXVJOBBO-WISYIIOYSA-N 1 0 229.389 2.164 10 0 BEAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000396724956 411240396 /nfs/dbraw/zinc/24/03/96/411240396.db2.gz VKNPJJZXFFWUFY-SDDRHHMPSA-N 1 0 210.365 2.295 10 0 BEAERO CC(C)n1ccc([C@@H]2[NH2+]C[C@@]23CCOC3)c1 ZINC000536959476 411265845 /nfs/dbraw/zinc/26/58/45/411265845.db2.gz KPEZWJHBOSQLCB-QWHCGFSZSA-N 1 0 220.316 2.120 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2O)CS1 ZINC000655711944 411267224 /nfs/dbraw/zinc/26/72/24/411267224.db2.gz MUIJVMFTFWJOTB-NOOOWODRSA-N 1 0 229.389 2.164 10 0 BEAERO [NH3+]C1CCC(C(=O)N2Cc3ccccc3C2)CC1 ZINC000050912427 411268040 /nfs/dbraw/zinc/26/80/40/411268040.db2.gz ABFCPPJDDZFBFF-UHFFFAOYSA-N 1 0 244.338 2.046 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000655723120 411296500 /nfs/dbraw/zinc/29/65/00/411296500.db2.gz HXYXZPJQVQDBDJ-RYUDHWBXSA-N 1 0 239.388 2.065 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)[C@H]1C ZINC000658355560 411298316 /nfs/dbraw/zinc/29/83/16/411298316.db2.gz IMBBJGROVUSHLQ-OVIZCXLRSA-N 1 0 211.349 2.172 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000658357064 411303379 /nfs/dbraw/zinc/30/33/79/411303379.db2.gz QXPGYHRMOGKUNT-ATDZDNBSSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC(CO)C1 ZINC000658356913 411303441 /nfs/dbraw/zinc/30/34/41/411303441.db2.gz QLQKNTXEIQAJGD-QYNFOATHSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658236560 411305941 /nfs/dbraw/zinc/30/59/41/411305941.db2.gz JLESNLPMKGGCLV-VCTAVGKDSA-N 1 0 247.338 2.394 10 0 BEAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658237703 411306643 /nfs/dbraw/zinc/30/66/43/411306643.db2.gz CEOTUDIQULQZHT-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO CC1(C)CCCN1C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000063075193 167900520 /nfs/dbraw/zinc/90/05/20/167900520.db2.gz ILESRTVFHPUXLV-NEPJUHHUSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)c1cc(NCC2([NH3+])CCCC2)ncn1 ZINC000656610932 411308977 /nfs/dbraw/zinc/30/89/77/411308977.db2.gz WLYZEUONLWKWGL-UHFFFAOYSA-N 1 0 234.347 2.283 10 0 BEAERO C[C@H]1CC(C[NH2+]CC(C)(C)O)C[C@H](C)C1 ZINC000656682530 411321503 /nfs/dbraw/zinc/32/15/03/411321503.db2.gz UDICSBGLHSSGPW-GHMZBOCLSA-N 1 0 213.365 2.419 10 0 BEAERO C[C@@H]1CC(C[NH2+]CC(C)(C)O)C[C@@H](C)C1 ZINC000656682531 411321897 /nfs/dbraw/zinc/32/18/97/411321897.db2.gz UDICSBGLHSSGPW-QWRGUYRKSA-N 1 0 213.365 2.419 10 0 BEAERO CCC[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000660135007 411252685 /nfs/dbraw/zinc/25/26/85/411252685.db2.gz VHWWBDKCZDDZDU-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C1CCCCC1 ZINC000128863741 411259637 /nfs/dbraw/zinc/25/96/37/411259637.db2.gz KOCVMWDAPIZAQT-GFCCVEGCSA-N 1 0 226.364 2.151 10 0 BEAERO CCCCN(CC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128863496 411260122 /nfs/dbraw/zinc/26/01/22/411260122.db2.gz MUNWWTCCSQNEDF-LLVKDONJSA-N 1 0 214.353 2.008 10 0 BEAERO CC[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000062116851 411349382 /nfs/dbraw/zinc/34/93/82/411349382.db2.gz WBJFFNGCWXVIQW-CHWSQXEVSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1cc(F)ccc1F ZINC000658350404 411352157 /nfs/dbraw/zinc/35/21/57/411352157.db2.gz DMQCLUJUPRNFSI-SILCLGDVSA-N 1 0 241.281 2.386 10 0 BEAERO CC[C@H]([NH2+]C1CC(CO)C1)c1ccccc1 ZINC000658351534 411354004 /nfs/dbraw/zinc/35/40/04/411354004.db2.gz NKVFEMVKEOPIKT-UBHUBRDASA-N 1 0 219.328 2.498 10 0 BEAERO COc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658352163 411354573 /nfs/dbraw/zinc/35/45/73/411354573.db2.gz UDZOBVXVMSBFKX-XSRFYTQQSA-N 1 0 235.327 2.117 10 0 BEAERO CC[C@@H]([NH2+]C1CC(CO)C1)[C@@H]1CC1(C)C ZINC000658352046 411355138 /nfs/dbraw/zinc/35/51/38/411355138.db2.gz CFQPCYHJBITZMC-MMVSWEMESA-N 1 0 211.349 2.172 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659871905 411356085 /nfs/dbraw/zinc/35/60/85/411356085.db2.gz XWBDWJRWIHESNK-CRWXNKLISA-N 1 0 223.360 2.269 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CS1 ZINC000655728805 411367653 /nfs/dbraw/zinc/36/76/53/411367653.db2.gz YIMCPXYCKPBUIS-VOAKCMCISA-N 1 0 243.416 2.411 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CS1 ZINC000655728804 411368171 /nfs/dbraw/zinc/36/81/71/411368171.db2.gz YIMCPXYCKPBUIS-NDBYEHHHSA-N 1 0 243.416 2.411 10 0 BEAERO CC1(C)[C@H](O)CC[N@@H+]1C[C@@H]1CCCC1(F)F ZINC000336144832 168006972 /nfs/dbraw/zinc/00/69/72/168006972.db2.gz VCHWVSQPWLTLOC-VHSXEESVSA-N 1 0 233.302 2.267 10 0 BEAERO CC1(CNC(=O)C2CCC([NH3+])CC2)CCCC1 ZINC000104439982 168028063 /nfs/dbraw/zinc/02/80/63/168028063.db2.gz LLICQWNUVNWNKI-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO CC1(O)CC[NH+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336144729 168067736 /nfs/dbraw/zinc/06/77/36/168067736.db2.gz QCCSPCRFJMQPCT-JTQLQIEISA-N 1 0 233.302 2.269 10 0 BEAERO CC1(c2nc(C3CCCC3)no2)CC[NH2+]CC1 ZINC000062843316 168072424 /nfs/dbraw/zinc/07/24/24/168072424.db2.gz QPFSUKHTCKNGAS-UHFFFAOYSA-N 1 0 235.331 2.368 10 0 BEAERO CC[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C(C)C ZINC000659249593 411381171 /nfs/dbraw/zinc/38/11/71/411381171.db2.gz DQGVSUMPTMBSLZ-LLVKDONJSA-N 1 0 238.375 2.199 10 0 BEAERO CC1=N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000072232735 168137655 /nfs/dbraw/zinc/13/76/55/168137655.db2.gz KGRGOMIGPFDQNY-KBPBESRZSA-N 1 0 230.311 2.078 10 0 BEAERO CC1=N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2O1 ZINC000072232734 168138039 /nfs/dbraw/zinc/13/80/39/168138039.db2.gz KGRGOMIGPFDQNY-KGLIPLIRSA-N 1 0 230.311 2.078 10 0 BEAERO CC1CC([NH2+]C[C@@H]2CC23CCOCC3)C1 ZINC000309090541 168145000 /nfs/dbraw/zinc/14/50/00/168145000.db2.gz BASDCZPRUUXTHJ-CXQJBGSLSA-N 1 0 209.333 2.191 10 0 BEAERO CC1CCC(C[NH3+])(N2C[C@H](C)OC[C@@H]2C)CC1 ZINC000035783585 168153676 /nfs/dbraw/zinc/15/36/76/168153676.db2.gz DXCUZOGYDXMTFA-QPPOZKHWSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1CCC[N@@H+]1C1(CN)CCC(C)CC1 ZINC000037910401 168154369 /nfs/dbraw/zinc/15/43/69/168154369.db2.gz FQQAPUDVODFRMK-CPCZMJQVSA-N 1 0 210.365 2.378 10 0 BEAERO CC1CCC(C[NH2+]CCn2ccnc2)CC1 ZINC000084339337 168155644 /nfs/dbraw/zinc/15/56/44/168155644.db2.gz VGXQFIBCEGHZHT-UHFFFAOYSA-N 1 0 221.348 2.299 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCCNC2)CC1 ZINC000063144973 168156127 /nfs/dbraw/zinc/15/61/27/168156127.db2.gz ZXVDLJWNVZEGRN-WXRRBKDZSA-N 1 0 210.365 2.154 10 0 BEAERO CC1CCC([N@H+](C)[C@H](CN)C2CC2)CC1 ZINC000042472814 168159043 /nfs/dbraw/zinc/15/90/43/168159043.db2.gz CVRBDEGEFKKGSC-KGPNIALWSA-N 1 0 210.365 2.234 10 0 BEAERO CC1CCC(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055086447 168161396 /nfs/dbraw/zinc/16/13/96/168161396.db2.gz LPIXFMCJRYWHGT-TYUFSLCMSA-N 1 0 238.375 2.199 10 0 BEAERO CC1CCC(OC(=O)C2CC[NH2+]CC2)CC1 ZINC000048633043 168166456 /nfs/dbraw/zinc/16/64/56/168166456.db2.gz AFLJCAVHBHCRJC-UHFFFAOYSA-N 1 0 225.332 2.108 10 0 BEAERO CC1CCC(OC(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000048633070 168166678 /nfs/dbraw/zinc/16/66/78/168166678.db2.gz RIISBARVMXEEEE-OCTTZUBCSA-N 1 0 225.332 2.236 10 0 BEAERO CC1CCC(OC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000048633011 168167165 /nfs/dbraw/zinc/16/71/65/168167165.db2.gz KOBKJONQOGWJDF-MOENNCHZSA-N 1 0 225.332 2.108 10 0 BEAERO CC1CC[NH+]([C@H]2CCCCC[C@H]2N)CC1 ZINC000023071622 168187370 /nfs/dbraw/zinc/18/73/70/168187370.db2.gz XELKFMCLAAPBCM-OLZOCXBDSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC(C)CC1 ZINC000043334294 168187415 /nfs/dbraw/zinc/18/74/15/168187415.db2.gz QVIUFXGLGQAOBF-YPMHNXCESA-N 1 0 222.332 2.400 10 0 BEAERO FC(F)(F)c1cc(NC2CC[NH2+]CC2)ccn1 ZINC000118085414 411389564 /nfs/dbraw/zinc/38/95/64/411389564.db2.gz TWLGATZEVDOSFD-UHFFFAOYSA-N 1 0 245.248 2.264 10 0 BEAERO CCC(=O)C1(c2cccc(O)c2)CC[NH+](C)CC1 ZINC000000001600 168199353 /nfs/dbraw/zinc/19/93/53/168199353.db2.gz ALFGKMXHOUSVAD-UHFFFAOYSA-N 1 0 247.338 2.335 10 0 world BEAERO CCC(=O)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000190296955 168202807 /nfs/dbraw/zinc/20/28/07/168202807.db2.gz VMTCUFSITVCIKL-ZDUSSCGKSA-N 1 0 235.331 2.306 10 0 BEAERO CCC(C)(C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000054401455 168262449 /nfs/dbraw/zinc/26/24/49/168262449.db2.gz HQFGLVTXYJUQPQ-UHFFFAOYSA-N 1 0 248.370 2.410 10 0 BEAERO CCC(C)(C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055122854 168288934 /nfs/dbraw/zinc/28/89/34/168288934.db2.gz OQBWUUMSPOYDGW-UHFFFAOYSA-N 1 0 226.364 2.199 10 0 BEAERO CCC(C)(C)[NH2+]CC(=O)Nc1ccccc1 ZINC000020036030 168297912 /nfs/dbraw/zinc/29/79/12/168297912.db2.gz YHFLHSRJHCIFMV-UHFFFAOYSA-N 1 0 220.316 2.403 10 0 BEAERO CCC(C)(C)[NH2+]Cc1ccccc1C(N)=O ZINC000020036067 168298676 /nfs/dbraw/zinc/29/86/76/168298676.db2.gz OBSBPJXPTPSGBR-UHFFFAOYSA-N 1 0 220.316 2.064 10 0 BEAERO CC(C)n1ccnc1C[NH2+]CC[C@@H]1CCCO1 ZINC000657303828 411457118 /nfs/dbraw/zinc/45/71/18/411457118.db2.gz HGNQRIGKKCTMEM-LBPRGKRZSA-N 1 0 237.347 2.123 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000659340759 411399726 /nfs/dbraw/zinc/39/97/26/411399726.db2.gz XGXMIIBWDRFWGE-SRVKXCTJSA-N 1 0 240.391 2.315 10 0 BEAERO Cc1cc(C)cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000659345500 411400586 /nfs/dbraw/zinc/40/05/86/411400586.db2.gz MKDSFMXRGYKDAJ-ZIAGYGMSSA-N 1 0 246.354 2.047 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000659372366 411405519 /nfs/dbraw/zinc/40/55/19/411405519.db2.gz AHELVFINACBXIW-LPWJVIDDSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000405288982 411423391 /nfs/dbraw/zinc/42/33/91/411423391.db2.gz GCYVPGPANJZHBV-QJPTWQEYSA-N 1 0 226.364 2.055 10 0 BEAERO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000216435204 411425619 /nfs/dbraw/zinc/42/56/19/411425619.db2.gz PBRZOWOZGMMOQR-UMVBOHGHSA-N 1 0 249.354 2.041 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2cccs2)no1 ZINC000070999996 411428506 /nfs/dbraw/zinc/42/85/06/411428506.db2.gz QWOAISCQKJBAAN-QMMMGPOBSA-N 1 0 237.328 2.324 10 0 BEAERO Cc1cc(C(C)C)nc(NCC[NH2+]C2CC2)n1 ZINC000122557414 411432763 /nfs/dbraw/zinc/43/27/63/411432763.db2.gz DFVRLXSYCZJEHY-UHFFFAOYSA-N 1 0 234.347 2.072 10 0 BEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2C)c(C)c1 ZINC000216438408 411432882 /nfs/dbraw/zinc/43/28/82/411432882.db2.gz UMKYHCHPPYOZOW-MRVWCRGKSA-N 1 0 249.354 2.041 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000122582327 411432899 /nfs/dbraw/zinc/43/28/99/411432899.db2.gz DDHKIAONWRMOGX-NWDGAFQWSA-N 1 0 248.374 2.448 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000122565747 411433306 /nfs/dbraw/zinc/43/33/06/411433306.db2.gz LMMPEFMRTWPSHX-LLVKDONJSA-N 1 0 234.347 2.072 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000122553273 411433351 /nfs/dbraw/zinc/43/33/51/411433351.db2.gz RYOQXJWQDYNHFI-LBPRGKRZSA-N 1 0 248.374 2.320 10 0 BEAERO CCc1csc(N2CC[C@@H]([NH3+])[C@H](CC)C2)n1 ZINC000122953201 411436235 /nfs/dbraw/zinc/43/62/35/411436235.db2.gz JZPORROVGLLJDF-MWLCHTKSSA-N 1 0 239.388 2.269 10 0 BEAERO CC[C@H]1CN(c2ccc(Cl)cn2)CC[C@@H]1[NH3+] ZINC000122941122 411436293 /nfs/dbraw/zinc/43/62/93/411436293.db2.gz QXXBSFZPUCWUAW-ONGXEEELSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1CN(Cc2cscc2Cl)C[C@@H]1[NH3+] ZINC000306177515 411437725 /nfs/dbraw/zinc/43/77/25/411437725.db2.gz OBMZYTONGSXOAW-XCBNKYQSSA-N 1 0 230.764 2.181 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655737268 411443063 /nfs/dbraw/zinc/44/30/63/411443063.db2.gz OOABXLMEPYYLCD-ZNSHCXBVSA-N 1 0 215.362 2.038 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655737267 411443258 /nfs/dbraw/zinc/44/32/58/411443258.db2.gz OOABXLMEPYYLCD-VPOLOUISSA-N 1 0 215.362 2.038 10 0 BEAERO CC(C)n1ccnc1CNCc1ccccn1 ZINC000657286352 411445524 /nfs/dbraw/zinc/44/55/24/411445524.db2.gz PBSXTNMGNSXCDO-UHFFFAOYSA-N 1 0 230.315 2.149 10 0 BEAERO CCN(c1ccccc1)[C@@H]1CC[C@H]([NH3+])C1 ZINC000071509210 169942841 /nfs/dbraw/zinc/94/28/41/169942841.db2.gz LFOWPAHBSXFPIF-WCQYABFASA-N 1 0 204.317 2.393 10 0 BEAERO CC[NH+]1CCC(N(C)c2ccc(N)c(C)c2)CC1 ZINC000042614899 169953357 /nfs/dbraw/zinc/95/33/57/169953357.db2.gz AKLGJNSCFQERLF-UHFFFAOYSA-N 1 0 247.386 2.498 10 0 BEAERO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](CCO)C1 ZINC000659953896 411509977 /nfs/dbraw/zinc/50/99/77/411509977.db2.gz XRQBJEYXLAMJIY-GHMZBOCLSA-N 1 0 235.318 2.372 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000040502025 169975763 /nfs/dbraw/zinc/97/57/63/169975763.db2.gz WGJMPQNNNGQLEU-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CC[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000328357057 170014448 /nfs/dbraw/zinc/01/44/48/170014448.db2.gz PENSNSMKNOTRSQ-CYBMUJFWSA-N 1 0 239.746 2.339 10 0 BEAERO CC[N@@H+]1CC[C@H](N(C)Cc2cccnc2)[C@H](C)C1 ZINC000125744914 170019543 /nfs/dbraw/zinc/01/95/43/170019543.db2.gz AICNSSLIIGHRCQ-HIFRSBDPSA-N 1 0 247.386 2.244 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000328200513 170022209 /nfs/dbraw/zinc/02/22/09/170022209.db2.gz RUQXYLCEWICUMR-MNOVXSKESA-N 1 0 208.305 2.024 10 0 BEAERO CCN1CCc2nc([C@H]([NH3+])C(C)C)sc2C1 ZINC000041059368 170025853 /nfs/dbraw/zinc/02/58/53/170025853.db2.gz ASBNXVMPSFMOHN-LLVKDONJSA-N 1 0 239.388 2.177 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]CCCC(C)C)C1 ZINC000309040221 170030116 /nfs/dbraw/zinc/03/01/16/170030116.db2.gz KRHCOTPRDBZNCR-OLZOCXBDSA-N 1 0 212.381 2.352 10 0 BEAERO CCN1C[C@@H](C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062569161 170030164 /nfs/dbraw/zinc/03/01/64/170030164.db2.gz SUBUQLBYCVJPJU-DGCLKSJQSA-N 1 0 204.317 2.041 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776756 170031182 /nfs/dbraw/zinc/03/11/82/170031182.db2.gz GOBZGWLUFJDPFT-CHWSQXEVSA-N 1 0 224.392 2.352 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000309955240 170039144 /nfs/dbraw/zinc/03/91/44/170039144.db2.gz IANZHFOYQPBCCB-YNEHKIRRSA-N 1 0 242.432 2.202 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000309907561 170039303 /nfs/dbraw/zinc/03/93/03/170039303.db2.gz KZLCTQWWBXWHDO-XQQFMLRXSA-N 1 0 224.392 2.495 10 0 BEAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000051758986 170053486 /nfs/dbraw/zinc/05/34/86/170053486.db2.gz XQWRDHCLKVZZGE-JTQLQIEISA-N 1 0 238.306 2.003 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000035138692 170064612 /nfs/dbraw/zinc/06/46/12/170064612.db2.gz CLOAAXHBQQXTCK-NSHDSACASA-N 1 0 234.343 2.036 10 0 BEAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000036780429 170065404 /nfs/dbraw/zinc/06/54/04/170065404.db2.gz MSESWIDICVPPRX-GFCCVEGCSA-N 1 0 234.343 2.090 10 0 BEAERO CCNC(=O)C[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000036780254 170065742 /nfs/dbraw/zinc/06/57/42/170065742.db2.gz HLTCGZXPXYWOHP-CYBMUJFWSA-N 1 0 248.370 2.399 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1C ZINC000061289448 170106374 /nfs/dbraw/zinc/10/63/74/170106374.db2.gz NWUGJZKMDOXTNX-UHFFFAOYSA-N 1 0 248.370 2.342 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000061294860 170106579 /nfs/dbraw/zinc/10/65/79/170106579.db2.gz OEYVZSUFXMBAQF-SNVBAGLBSA-N 1 0 228.380 2.268 10 0 BEAERO CC[NH2+]C(C)(C)c1nc(-c2ccco2)no1 ZINC000061151493 170107207 /nfs/dbraw/zinc/10/72/07/170107207.db2.gz MDYBHDQQPIBTQJ-UHFFFAOYSA-N 1 0 221.260 2.174 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000061299146 170107472 /nfs/dbraw/zinc/10/74/72/170107472.db2.gz YYOFHAJTYQAPEJ-NWDGAFQWSA-N 1 0 240.391 2.317 10 0 BEAERO CC[NH2+]C(C)(C)c1nncn1C1CCCC1 ZINC000061152125 170107647 /nfs/dbraw/zinc/10/76/47/170107647.db2.gz AKVAYUOJWJXRMQ-UHFFFAOYSA-N 1 0 222.336 2.238 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000061291724 170107748 /nfs/dbraw/zinc/10/77/48/170107748.db2.gz GHZAOKGWKPPPPV-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO CC[NH2+]C(C)(C)c1nnc(C)n1C(C)C ZINC000061152053 170107834 /nfs/dbraw/zinc/10/78/34/170107834.db2.gz RZXAVMMIVMZKEP-UHFFFAOYSA-N 1 0 210.325 2.012 10 0 BEAERO CC[NH2+]CC(=O)c1ccc(OC)c(CC)c1 ZINC000071523191 170110193 /nfs/dbraw/zinc/11/01/93/170110193.db2.gz FZXCHIRTQWUJKB-UHFFFAOYSA-N 1 0 221.300 2.050 10 0 BEAERO CC[NH2+]CC(=O)c1ccc(OCC)c(F)c1 ZINC000071532118 170110676 /nfs/dbraw/zinc/11/06/76/170110676.db2.gz OKAZOZRCOBCRGR-UHFFFAOYSA-N 1 0 225.263 2.017 10 0 BEAERO CC[NH2+]CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000049836947 170111827 /nfs/dbraw/zinc/11/18/27/170111827.db2.gz DINAJCQTSZPQSK-UHFFFAOYSA-N 1 0 249.310 2.030 10 0 BEAERO CC[NH2+]CCC(=O)N(C)c1ccc(C)cc1C ZINC000061299317 170111934 /nfs/dbraw/zinc/11/19/34/170111934.db2.gz MPHJWDWWOBFICQ-UHFFFAOYSA-N 1 0 234.343 2.266 10 0 BEAERO CC[NH2+]CCC(=O)Nc1cccc(OCC)c1 ZINC000061293731 170112010 /nfs/dbraw/zinc/11/20/10/170112010.db2.gz QDJJFDDIEYZKKC-UHFFFAOYSA-N 1 0 236.315 2.023 10 0 BEAERO CC[NH2+]CCC(=O)N(CC)Cc1ccccc1C ZINC000061289654 170112113 /nfs/dbraw/zinc/11/21/13/170112113.db2.gz ORWTUUUCPSFPBW-UHFFFAOYSA-N 1 0 248.370 2.343 10 0 BEAERO CC[NH2+]CCCOc1ccc(F)cc1F ZINC000020525329 170112771 /nfs/dbraw/zinc/11/27/71/170112771.db2.gz HRHWZJGHQAWNNS-UHFFFAOYSA-N 1 0 215.243 2.343 10 0 BEAERO CC[NH2+]CCCc1ccc(OC)cc1OC ZINC000070639251 170113701 /nfs/dbraw/zinc/11/37/01/170113701.db2.gz OCNAURWMXPOZNZ-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO CC[NH2+]CCOc1c(OC)cc(C)cc1OC ZINC000035679109 170116448 /nfs/dbraw/zinc/11/64/48/170116448.db2.gz LAHYOOZDHKEBCK-UHFFFAOYSA-N 1 0 239.315 2.001 10 0 BEAERO CC[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095091525 170117139 /nfs/dbraw/zinc/11/71/39/170117139.db2.gz YGFHVUBOUQQQQS-LLVKDONJSA-N 1 0 242.363 2.243 10 0 BEAERO CC[NH2+]CCc1cc(CC)ccc1OC ZINC000057495025 170117142 /nfs/dbraw/zinc/11/71/42/170117142.db2.gz FXOJGDFYLYJHKZ-UHFFFAOYSA-N 1 0 207.317 2.410 10 0 BEAERO CC[NH2+]CC[C@@H](O)c1cc(C)c(C)cc1OC ZINC000049828984 170117155 /nfs/dbraw/zinc/11/71/55/170117155.db2.gz OAZMFNQTWACYCA-CYBMUJFWSA-N 1 0 237.343 2.345 10 0 BEAERO CC[NH2+]CCc1cc(OC)c(OC)cc1C ZINC000107287651 170117520 /nfs/dbraw/zinc/11/75/20/170117520.db2.gz AOZYNBHEJUSSOU-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO CC[NH2+]CCc1c[nH]c2c1c(OC)ccc2OC ZINC000107293740 170117645 /nfs/dbraw/zinc/11/76/45/170117645.db2.gz QEUUSPWCPNUNHH-UHFFFAOYSA-N 1 0 248.326 2.337 10 0 BEAERO CC[NH2+]CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000051784475 170118012 /nfs/dbraw/zinc/11/80/12/170118012.db2.gz IARYPDYDDWPAHL-UHFFFAOYSA-N 1 0 249.289 2.336 10 0 BEAERO CC[NH2+]C[C@@H](O)Cc1ccc(C(C)(C)C)cc1 ZINC000071546494 170118813 /nfs/dbraw/zinc/11/88/13/170118813.db2.gz MKOYXHVIACMPLO-AWEZNQCLSA-N 1 0 235.371 2.497 10 0 BEAERO CC[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000052419057 170119233 /nfs/dbraw/zinc/11/92/33/170119233.db2.gz ANEZKGDVJOGTQM-GFCCVEGCSA-N 1 0 218.344 2.043 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000061227751 170119341 /nfs/dbraw/zinc/11/93/41/170119341.db2.gz BQCLQRZKZFCKBX-NEPJUHHUSA-N 1 0 246.354 2.210 10 0 BEAERO CC[NH2+]C[C@@H](O)c1cc(C(C)C)ccc1OC ZINC000049828914 170119952 /nfs/dbraw/zinc/11/99/52/170119952.db2.gz WAXGWRINWVVTMK-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+]C[C@@H]1CCN([C@@H](C)c2ccncc2)C1 ZINC000053031116 170120001 /nfs/dbraw/zinc/12/00/01/170120001.db2.gz CYVPEUUHDKETJK-STQMWFEESA-N 1 0 233.359 2.074 10 0 BEAERO CC[NH2+]C[C@@H]1CCCN1c1ccc(Cl)cn1 ZINC000053696453 170120350 /nfs/dbraw/zinc/12/03/50/170120350.db2.gz XSGIWWGTUHJJBZ-NSHDSACASA-N 1 0 239.750 2.313 10 0 BEAERO CC[NH2+]C[C@@H]1CCCN(c2nc(C)cs2)C1 ZINC000053695967 170120470 /nfs/dbraw/zinc/12/04/70/170120470.db2.gz PEDUDZLLPRWQPY-NSHDSACASA-N 1 0 239.388 2.277 10 0 BEAERO CC[NH2+]C[C@@]1(CCOCCC(C)C)CCOC1 ZINC000054664302 170120792 /nfs/dbraw/zinc/12/07/92/170120792.db2.gz HMPMTPQBQDUGTO-CQSZACIVSA-N 1 0 243.391 2.455 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)CC(C)C ZINC000061236108 170120798 /nfs/dbraw/zinc/12/07/98/170120798.db2.gz KPMUIPWONZGGIB-NWDGAFQWSA-N 1 0 228.380 2.125 10 0 BEAERO CC[NH2+]C[C@@H]1CCc2nc(CC)sc2C1 ZINC000033874366 170121070 /nfs/dbraw/zinc/12/10/70/170121070.db2.gz IFRZMLXGVMVTCG-SECBINFHSA-N 1 0 224.373 2.420 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(F)c(Cl)c1 ZINC000083263988 170122637 /nfs/dbraw/zinc/12/26/37/170122637.db2.gz ZVXJGMFWHMPQBQ-JTQLQIEISA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+]C[C@H](OC[C@H]1CCOC1)c1ccccc1 ZINC000050501372 170122708 /nfs/dbraw/zinc/12/27/08/170122708.db2.gz HDUFGLHKIGYNEH-ZFWWWQNUSA-N 1 0 249.354 2.390 10 0 BEAERO CC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000032101478 170122980 /nfs/dbraw/zinc/12/29/80/170122980.db2.gz POAFCYBJTWHYRP-JTQLQIEISA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+]C[C@]1(CC2CCOCC2)CCCOC1 ZINC000062194099 170123334 /nfs/dbraw/zinc/12/33/34/170123334.db2.gz HIPKAUQPJHGSJM-CQSZACIVSA-N 1 0 241.375 2.209 10 0 BEAERO CC[NH2+]C[C@](O)(c1ccc(OC)cc1)C(C)C ZINC000033466294 170123338 /nfs/dbraw/zinc/12/33/38/170123338.db2.gz RKJCRVAJDBOVKU-CQSZACIVSA-N 1 0 237.343 2.148 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000054590666 170123446 /nfs/dbraw/zinc/12/34/46/170123446.db2.gz RCMBTSIYOUUEMW-DGCLKSJQSA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@](O)(CC)c1ccc(OC)c(C)c1 ZINC000033466291 170123473 /nfs/dbraw/zinc/12/34/73/170123473.db2.gz UZCBFUKZYZNWGZ-CQSZACIVSA-N 1 0 237.343 2.211 10 0 BEAERO CC[NH2+]C[C@](O)(c1ccccc1OC)C(C)C ZINC000033466296 170123548 /nfs/dbraw/zinc/12/35/48/170123548.db2.gz ILVHBTBMXRLVDF-CQSZACIVSA-N 1 0 237.343 2.148 10 0 BEAERO CC[NH2+]C[C@](C)(CC)CN1CCO[C@H](CC)C1 ZINC000051217132 170123645 /nfs/dbraw/zinc/12/36/45/170123645.db2.gz RGORDFJFGKNORC-KGLIPLIRSA-N 1 0 242.407 2.123 10 0 BEAERO CC[NH2+]Cc1cnc(CCc2ccccc2)[nH]1 ZINC000062820997 170124246 /nfs/dbraw/zinc/12/42/46/170124246.db2.gz DCYXILGOYHKEJO-UHFFFAOYSA-N 1 0 229.327 2.304 10 0 BEAERO CC[NH2+]Cc1cc(-c2ccccc2F)n[nH]1 ZINC000050479024 170124403 /nfs/dbraw/zinc/12/44/03/170124403.db2.gz VYJAHUMUCFGKHR-UHFFFAOYSA-N 1 0 219.263 2.325 10 0 BEAERO CC[NH2+]Cc1c(F)c(F)c(F)c(F)c1F ZINC000035151048 170124569 /nfs/dbraw/zinc/12/45/69/170124569.db2.gz APQXTCSEGZTDEW-UHFFFAOYSA-N 1 0 225.160 2.492 10 0 BEAERO CC[NH2+]Cc1cc(F)c(-n2cccn2)c(F)c1 ZINC000062719472 170125145 /nfs/dbraw/zinc/12/51/45/170125145.db2.gz DSOQMAINCZXSGX-UHFFFAOYSA-N 1 0 237.253 2.260 10 0 BEAERO CC[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000037236820 170125448 /nfs/dbraw/zinc/12/54/48/170125448.db2.gz VXSXHMADEQURQI-UHFFFAOYSA-N 1 0 219.263 2.121 10 0 BEAERO CC[NH2+]Cc1ccc(-n2cc(Cl)cn2)nc1 ZINC000051492735 170126682 /nfs/dbraw/zinc/12/66/82/170126682.db2.gz SXFZOXBZWVHAKP-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1ccc(OCCn2cccn2)cc1 ZINC000049313588 170127382 /nfs/dbraw/zinc/12/73/82/170127382.db2.gz GDCQYWZMJKOQHL-UHFFFAOYSA-N 1 0 245.326 2.072 10 0 BEAERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2C)nc1 ZINC000051398868 170127493 /nfs/dbraw/zinc/12/74/93/170127493.db2.gz LRGXGHNQCMKNFV-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1cccc(N2CC[C@@H](C)C2)n1 ZINC000051448251 170128353 /nfs/dbraw/zinc/12/83/53/170128353.db2.gz RXHMWCJHNBMICX-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000034816324 170128373 /nfs/dbraw/zinc/12/83/73/170128373.db2.gz JEBCFGPHLYKARS-AWEZNQCLSA-N 1 0 235.327 2.354 10 0 BEAERO CC[NH2+]Cc1ccccc1N(C)CCCOC ZINC000062033095 170128676 /nfs/dbraw/zinc/12/86/76/170128676.db2.gz BHOWLNBTWNVNDD-UHFFFAOYSA-N 1 0 236.359 2.269 10 0 BEAERO CC[NH2+]Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000054791318 170129734 /nfs/dbraw/zinc/12/97/34/170129734.db2.gz ULDYVANDRAKVQX-UHFFFAOYSA-N 1 0 231.274 2.392 10 0 BEAERO CC[NH2+]Cc1cnn(-c2cccc(C)c2)c1 ZINC000040932322 170130488 /nfs/dbraw/zinc/13/04/88/170130488.db2.gz QJNODDSDDZINJZ-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1cnoc1-c1ccccc1 ZINC000042188667 170130686 /nfs/dbraw/zinc/13/06/86/170130686.db2.gz DDWABLBMZFITOL-UHFFFAOYSA-N 1 0 202.257 2.451 10 0 BEAERO CC[NH2+]Cc1csc(N2CCC(C)CC2)n1 ZINC000062214921 170130804 /nfs/dbraw/zinc/13/08/04/170130804.db2.gz DLJFELNAUHWNKJ-UHFFFAOYSA-N 1 0 239.388 2.489 10 0 BEAERO CC[NH2+]Cc1nc2cc(C)c(C)cc2[nH]1 ZINC000045206638 170131743 /nfs/dbraw/zinc/13/17/43/170131743.db2.gz DPYWAEPWGZSINO-UHFFFAOYSA-N 1 0 203.289 2.289 10 0 BEAERO CC[NH2+]Cc1sc(-c2ncccn2)nc1C ZINC000052330335 170132428 /nfs/dbraw/zinc/13/24/28/170132428.db2.gz DADIEKRJHASKJA-UHFFFAOYSA-N 1 0 234.328 2.018 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H](C)N1CCC(C)(C)CC1 ZINC000061819759 170140027 /nfs/dbraw/zinc/14/00/27/170140027.db2.gz WTRLLOAURGPWPF-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1F ZINC000061269081 170139047 /nfs/dbraw/zinc/13/90/47/170139047.db2.gz YIACMZYQCZQWKG-QMMMGPOBSA-N 1 0 242.269 2.291 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(CC)Cc1ccco1 ZINC000061272278 170139135 /nfs/dbraw/zinc/13/91/35/170139135.db2.gz MCLUVIRTLIUBOZ-NSHDSACASA-N 1 0 238.331 2.016 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccccc1 ZINC000061268753 170139441 /nfs/dbraw/zinc/13/94/41/170139441.db2.gz YJJALYNFMQSLDG-NWDGAFQWSA-N 1 0 234.343 2.252 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)Cc1ccccc1 ZINC000062188486 170139490 /nfs/dbraw/zinc/13/94/90/170139490.db2.gz LOPZWEWBQYBSIX-STQMWFEESA-N 1 0 248.370 2.122 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nnc(C)n1-c1ccccc1 ZINC000061213776 170140551 /nfs/dbraw/zinc/14/05/51/170140551.db2.gz YAQNSFIPEJNMCD-NSHDSACASA-N 1 0 244.342 2.116 10 0 BEAERO CC[NH2+][C@@H](C)c1cc2c(cc1F)NC(=O)CC2 ZINC000035571778 170141144 /nfs/dbraw/zinc/14/11/44/170141144.db2.gz UGTFJIONUUUCEV-QMMMGPOBSA-N 1 0 236.290 2.381 10 0 BEAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(C)c(C)c1 ZINC000039105560 170141263 /nfs/dbraw/zinc/14/12/63/170141263.db2.gz OBPVXOPEMRBTNE-AAEUAGOBSA-N 1 0 207.317 2.335 10 0 BEAERO CC[NH2+][C@@H](C)c1cnn(-c2ccccn2)c1C ZINC000040932709 170142823 /nfs/dbraw/zinc/14/28/23/170142823.db2.gz ZFEACAKNIYGUNP-JTQLQIEISA-N 1 0 230.315 2.246 10 0 BEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000049538293 170143065 /nfs/dbraw/zinc/14/30/65/170143065.db2.gz IFJOOMDYMFHGDM-VIFPVBQESA-N 1 0 217.272 2.407 10 0 BEAERO CC[NH2+][C@@H](C)c1nc2c(cccc2F)[nH]1 ZINC000062366093 170143150 /nfs/dbraw/zinc/14/31/50/170143150.db2.gz YGCAJUNWJPGMNK-ZETCQYMHSA-N 1 0 207.252 2.373 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccccc1Br ZINC000038120412 170144814 /nfs/dbraw/zinc/14/48/14/170144814.db2.gz LILRTKAKMZBOPL-JTQLQIEISA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+][C@@H](CO)c1cc(C(C)C)ccc1OC ZINC000071548119 170145344 /nfs/dbraw/zinc/14/53/44/170145344.db2.gz IMQOQQXNIFOALE-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccc(C)cc1 ZINC000035556140 170147909 /nfs/dbraw/zinc/14/79/09/170147909.db2.gz XETBMNLARORATK-AWEZNQCLSA-N 1 0 229.327 2.427 10 0 BEAERO CC[NH2+][C@@H](c1ccc2c(c1)NC(=O)CO2)C1CC1 ZINC000035558558 170148364 /nfs/dbraw/zinc/14/83/64/170148364.db2.gz ZUOLWXNFVGEMTI-CQSZACIVSA-N 1 0 246.310 2.078 10 0 BEAERO CC[NH2+][C@@H](c1ccc2c(c1)oc(=O)n2C)C1CC1 ZINC000051362285 170148849 /nfs/dbraw/zinc/14/88/49/170148849.db2.gz NHZPIUMLJMEWGU-CYBMUJFWSA-N 1 0 246.310 2.192 10 0 BEAERO CC[NH2+][C@@H](c1ccsc1)c1cnn(C)c1 ZINC000035555450 170149804 /nfs/dbraw/zinc/14/98/04/170149804.db2.gz BAZPMCHFQPFXLR-NSHDSACASA-N 1 0 221.329 2.181 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@H]1n1cc(C)cn1 ZINC000043999513 170150244 /nfs/dbraw/zinc/15/02/44/170150244.db2.gz LHCCGVYXVQHIQC-VXGBXAGGSA-N 1 0 207.321 2.285 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@H]1n1ccnc1C ZINC000043993786 170150431 /nfs/dbraw/zinc/15/04/31/170150431.db2.gz JGCYUMOGNFLGAV-VXGBXAGGSA-N 1 0 207.321 2.285 10 0 BEAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1n1cncn1 ZINC000043991452 170150703 /nfs/dbraw/zinc/15/07/03/170150703.db2.gz RNCYKKHRMBUNBK-NEPJUHHUSA-N 1 0 222.336 2.152 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCc2ccccn2)[C@H](C)C1 ZINC000049712393 170151190 /nfs/dbraw/zinc/15/11/90/170151190.db2.gz FYCDNSMGEZLRMY-UKRRQHHQSA-N 1 0 247.386 2.087 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2cccnc2)[C@H](C)C1 ZINC000049712459 170151407 /nfs/dbraw/zinc/15/14/07/170151407.db2.gz LYWQARZMLKBNJU-TZMCWYRMSA-N 1 0 233.359 2.044 10 0 BEAERO CC[NH2+][C@@H]1CCN(C2CCC(C)CC2)C1 ZINC000037242065 170151538 /nfs/dbraw/zinc/15/15/38/170151538.db2.gz CWTUYBXOPCSDHW-OTTFEQOBSA-N 1 0 210.365 2.249 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCc2ccco2)C[C@@H]1C ZINC000049713503 170151985 /nfs/dbraw/zinc/15/19/85/170151985.db2.gz FXBSLJWWLZNBQP-GXTWGEPZSA-N 1 0 236.359 2.142 10 0 BEAERO CC[NH2+][C@@H]1CCOc2ccc(CCOC)cc21 ZINC000035657663 170152816 /nfs/dbraw/zinc/15/28/16/170152816.db2.gz IZSHEDLANUZETO-CYBMUJFWSA-N 1 0 235.327 2.309 10 0 BEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(OC)cc1 ZINC000095091495 170152820 /nfs/dbraw/zinc/15/28/20/170152820.db2.gz UBZFEJXTFFPIFM-DZGCQCFKSA-N 1 0 249.354 2.252 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000037242318 170152854 /nfs/dbraw/zinc/15/28/54/170152854.db2.gz QAFJUGTYOQHQOX-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@@H]1CCOc2cc(OC)cc(OC)c21 ZINC000036204571 170153246 /nfs/dbraw/zinc/15/32/46/170153246.db2.gz SCSCDCBETVCELE-SNVBAGLBSA-N 1 0 237.299 2.137 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccccc2CC)C1 ZINC000037241400 170153324 /nfs/dbraw/zinc/15/33/24/170153324.db2.gz DSFKSWXTLNXNAC-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO CC[NH2+][C@@H]1CCc2c1ccc(OC)c2OC ZINC000042405324 170154030 /nfs/dbraw/zinc/15/40/30/170154030.db2.gz GIHXKDKIANUXCT-LLVKDONJSA-N 1 0 221.300 2.301 10 0 BEAERO CC[NH2+][C@@H]1CC[S@@](=O)c2c(C)cc(C)cc21 ZINC000040974641 170154327 /nfs/dbraw/zinc/15/43/27/170154327.db2.gz UCRWJDFIRPRYKE-WBMJQRKESA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@H](C(N)=O)c1csc2ccccc21 ZINC000054464929 170155925 /nfs/dbraw/zinc/15/59/25/170155925.db2.gz JXWAHKOWYFFBHC-NSHDSACASA-N 1 0 234.324 2.037 10 0 BEAERO CC[NH2+][C@@]1(c2nccs2)CCCSC1 ZINC000061590726 170155948 /nfs/dbraw/zinc/15/59/48/170155948.db2.gz JCRRIOZRRLVCSY-JTQLQIEISA-N 1 0 228.386 2.475 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N1CCCc2ccccc21 ZINC000061269157 170156783 /nfs/dbraw/zinc/15/67/83/170156783.db2.gz LYSXFBYQGDPIEZ-GFCCVEGCSA-N 1 0 246.354 2.354 10 0 BEAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(C)c(C)c1 ZINC000039105563 170158434 /nfs/dbraw/zinc/15/84/34/170158434.db2.gz OBPVXOPEMRBTNE-DGCLKSJQSA-N 1 0 207.317 2.335 10 0 BEAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCCCO ZINC000062746735 170159594 /nfs/dbraw/zinc/15/95/94/170159594.db2.gz LGFQTGBCRHCMMX-SNVBAGLBSA-N 1 0 241.306 2.257 10 0 BEAERO CC[NH2+][C@H](C)c1ccccc1N(CC)CCO ZINC000037900292 170160516 /nfs/dbraw/zinc/16/05/16/170160516.db2.gz NFIPQJLHKVHJQN-GFCCVEGCSA-N 1 0 236.359 2.176 10 0 BEAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000035542421 170164033 /nfs/dbraw/zinc/16/40/33/170164033.db2.gz WPOMMKNOIMVUGT-LSDHHAIUSA-N 1 0 247.338 2.451 10 0 BEAERO CC[NH2+][C@@H](c1nccn1C)c1ccccc1 ZINC000041048652 170164659 /nfs/dbraw/zinc/16/46/59/170164659.db2.gz CVXRPGANVFLDBN-GFCCVEGCSA-N 1 0 215.300 2.119 10 0 BEAERO CC[NH2+][C@H](c1nc(C)cs1)[C@H]1CCOC1 ZINC000041061047 170164721 /nfs/dbraw/zinc/16/47/21/170164721.db2.gz KYJIKLBERHWDNE-UWVGGRQHSA-N 1 0 226.345 2.139 10 0 BEAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccccc1OC ZINC000035555973 170164751 /nfs/dbraw/zinc/16/47/51/170164751.db2.gz SQJZAZXLHGBILM-CQSZACIVSA-N 1 0 245.326 2.128 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@@H]1N1CCCCC1 ZINC000043814329 170165858 /nfs/dbraw/zinc/16/58/58/170165858.db2.gz GJAQJOSYRKSZPW-STQMWFEESA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@H]1CCN(CCC2CCCCC2)C1=O ZINC000049648878 170166388 /nfs/dbraw/zinc/16/63/88/170166388.db2.gz ZNIIKXAUISQCTQ-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO CC[NH2+][C@H]1CCN([C@H]2CCCC[C@@H]2CC)C1=O ZINC000049649020 170167427 /nfs/dbraw/zinc/16/74/27/170167427.db2.gz QKWBCDYCIHZWSZ-AVGNSLFASA-N 1 0 238.375 2.166 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2)C1 ZINC000037242128 170167872 /nfs/dbraw/zinc/16/78/72/170167872.db2.gz ZLSXLLDAAXERDT-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000037241579 170167957 /nfs/dbraw/zinc/16/79/57/170167957.db2.gz QBZPROVSDKKBCF-AWEZNQCLSA-N 1 0 218.344 2.179 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2C)C1 ZINC000037241766 170167997 /nfs/dbraw/zinc/16/79/97/170167997.db2.gz SDAXJNUUYRIUAW-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2nccs2)[C@H](C)C1 ZINC000049714076 170168155 /nfs/dbraw/zinc/16/81/55/170168155.db2.gz RSXNMRKJYIBPTA-MNOVXSKESA-N 1 0 239.388 2.106 10 0 BEAERO CC[NH2+][C@H]1CCOc2cc(F)cc(F)c21 ZINC000054931974 170168883 /nfs/dbraw/zinc/16/88/83/170168883.db2.gz UIYLYLYCDMNWNB-VIFPVBQESA-N 1 0 213.227 2.398 10 0 BEAERO CC[NH2+][C@H]1COc2c1cccc2Br ZINC000035654536 170168920 /nfs/dbraw/zinc/16/89/20/170168920.db2.gz IOKLBDAWJDGNMH-VIFPVBQESA-N 1 0 242.116 2.492 10 0 BEAERO CC[NH2+][C@H]1CCOC[C@H]1Cc1ccccc1F ZINC000095091522 170169068 /nfs/dbraw/zinc/16/90/68/170169068.db2.gz DKVPSADGTGZNOU-OCCSQVGLSA-N 1 0 237.318 2.383 10 0 BEAERO CCNc1nc(C[NH3+])cc2ccccc21 ZINC000082639015 170176180 /nfs/dbraw/zinc/17/61/80/170176180.db2.gz VFZWBAURVKYUNH-UHFFFAOYSA-N 1 0 201.273 2.125 10 0 BEAERO CCOC(=O)C1=CC(C)(C)[NH2+]C(C)(C)C1 ZINC000005854974 170191206 /nfs/dbraw/zinc/19/12/06/170191206.db2.gz AYTGFQNGBCEDCU-UHFFFAOYSA-N 1 0 211.305 2.026 10 0 BEAERO CCOC(=O)CC[N@@H+]1CCCC12CCCC2 ZINC000309260425 170204172 /nfs/dbraw/zinc/20/41/72/170204172.db2.gz BDLAAAQBJVDRAL-UHFFFAOYSA-N 1 0 225.332 2.348 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1c(F)cccc1F ZINC000045685440 170209685 /nfs/dbraw/zinc/20/96/85/170209685.db2.gz WCEZUBXOYOFZIP-UHFFFAOYSA-N 1 0 243.253 2.008 10 0 BEAERO CCOC(=O)CC[C@H]1CCCC[C@H]1[NH+](C)C ZINC000038611816 170211821 /nfs/dbraw/zinc/21/18/21/170211821.db2.gz ZRFQIXZAJFYQED-VXGBXAGGSA-N 1 0 227.348 2.450 10 0 BEAERO CCOC(=O)C[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000304183847 170214757 /nfs/dbraw/zinc/21/47/57/170214757.db2.gz NOYVRFVZAGKGIW-JTQLQIEISA-N 1 0 249.301 2.307 10 0 BEAERO CCOC(=O)C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000073653174 170233457 /nfs/dbraw/zinc/23/34/57/170233457.db2.gz WAHYIYTWTYLYAK-LLVKDONJSA-N 1 0 213.321 2.060 10 0 BEAERO CCOC(=O)N[C@H](C[NH3+])c1cc(C)ccc1C ZINC000049669965 170243207 /nfs/dbraw/zinc/24/32/07/170243207.db2.gz YDRNOMGECKCPST-GFCCVEGCSA-N 1 0 236.315 2.049 10 0 BEAERO CCOC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000049954618 170248362 /nfs/dbraw/zinc/24/83/62/170248362.db2.gz FOVGNNITMZKADB-NXEZZACHSA-N 1 0 237.299 2.037 10 0 BEAERO O[C@@H]1CCC[C@@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000660252739 411560359 /nfs/dbraw/zinc/56/03/59/411560359.db2.gz DJCJWOZIHMXLAF-ZYHUDNBSSA-N 1 0 209.333 2.070 10 0 BEAERO CCOC(=O)c1sc([C@@H]([NH3+])C(C)C)nc1C ZINC000083370702 170310388 /nfs/dbraw/zinc/31/03/88/170310388.db2.gz IZJWTLMRYCIZGP-QMMMGPOBSA-N 1 0 242.344 2.284 10 0 BEAERO CCOC1CC([NH2+][C@H]2COc3ccccc32)C1 ZINC000124491510 170330711 /nfs/dbraw/zinc/33/07/11/170330711.db2.gz MTHYKEHFHSKHHM-XIVSLSHWSA-N 1 0 233.311 2.277 10 0 BEAERO CCOCCC[N@@H+]1C[C@@H](C(C)C)NC[C@H]1CC ZINC000083370824 170374886 /nfs/dbraw/zinc/37/48/86/170374886.db2.gz YXFLQDRAPSEXOJ-KGLIPLIRSA-N 1 0 242.407 2.121 10 0 BEAERO CCOCC[N@H+](C)Cc1cccc2c1NCC2 ZINC000130588695 170390225 /nfs/dbraw/zinc/39/02/25/170390225.db2.gz XKCLDPKUZAWBPQ-UHFFFAOYSA-N 1 0 234.343 2.123 10 0 BEAERO CCOCC[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000211641251 170390337 /nfs/dbraw/zinc/39/03/37/170390337.db2.gz JLLZAJMWQNPLQW-UHFFFAOYSA-N 1 0 237.343 2.477 10 0 BEAERO CCOCC[N@H+](CC)CC1(CO)CCCCC1 ZINC000104197978 170394232 /nfs/dbraw/zinc/39/42/32/170394232.db2.gz XXTAAKCIKFIUGL-UHFFFAOYSA-N 1 0 243.391 2.288 10 0 BEAERO CCOCC[N@H+](CC)Cc1ccccc1N ZINC000035364610 170396007 /nfs/dbraw/zinc/39/60/07/170396007.db2.gz UDWDCUBOPCBKFG-UHFFFAOYSA-N 1 0 222.332 2.127 10 0 BEAERO CCOCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195441586 170399616 /nfs/dbraw/zinc/39/96/16/170399616.db2.gz ZYUAOZOZRSRUCS-NSHDSACASA-N 1 0 240.372 2.359 10 0 BEAERO O[C@@H]1CCC[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000660778521 411627442 /nfs/dbraw/zinc/62/74/42/411627442.db2.gz IZYNVKNWPHLGJR-VXGBXAGGSA-N 1 0 209.333 2.212 10 0 BEAERO CCOCCO[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042910963 170421366 /nfs/dbraw/zinc/42/13/66/170421366.db2.gz ZVYJACCQZPFNON-GXTWGEPZSA-N 1 0 237.343 2.436 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3CC=CC3)C[C@H]2C1 ZINC000660805950 411640116 /nfs/dbraw/zinc/64/01/16/411640116.db2.gz GZEFNECEFXREGZ-MGPQQGTHSA-N 1 0 221.344 2.045 10 0 BEAERO CCOCC[C@@]1([NH3+])CCc2ccccc21 ZINC000053754216 170426934 /nfs/dbraw/zinc/42/69/34/170426934.db2.gz YIDSNWRWPVOAJN-ZDUSSCGKSA-N 1 0 205.301 2.213 10 0 BEAERO Cc1c(C[NH2+][C@@]2(C)CC2(C)C)cnn1C ZINC000657761655 411591742 /nfs/dbraw/zinc/59/17/42/411591742.db2.gz QKYNNFZSQJUYTF-LBPRGKRZSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000657808997 411601730 /nfs/dbraw/zinc/60/17/30/411601730.db2.gz RPPTUIAXLLWNOS-YUVKLTJASA-N 1 0 235.327 2.264 10 0 BEAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000657808998 411601821 /nfs/dbraw/zinc/60/18/21/411601821.db2.gz RPPTUIAXLLWNOS-ZUYNKMSQSA-N 1 0 235.327 2.264 10 0 BEAERO Cc1cc(C)c(C[NH2+]C2CC(CO)C2)cc1C ZINC000657809118 411601845 /nfs/dbraw/zinc/60/18/45/411601845.db2.gz USPYPLZRHMPFHA-UHFFFAOYSA-N 1 0 233.355 2.472 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCSCC1)[C@@H]1CCCO1 ZINC000657835039 411609474 /nfs/dbraw/zinc/60/94/74/411609474.db2.gz NVDDAYKNXNCCIP-TUAOUCFPSA-N 1 0 229.389 2.429 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657844536 411610452 /nfs/dbraw/zinc/61/04/52/411610452.db2.gz HSGLDUROXONJJR-IJLUTSLNSA-N 1 0 229.389 2.165 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000657848038 411611767 /nfs/dbraw/zinc/61/17/67/411611767.db2.gz ZWBJOVVJRRKQRB-TUAOUCFPSA-N 1 0 209.333 2.212 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCC1CCC1 ZINC000660693579 411617980 /nfs/dbraw/zinc/61/79/80/411617980.db2.gz YORSMFIYLLNRAW-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)O[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000660897385 411661906 /nfs/dbraw/zinc/66/19/06/411661906.db2.gz IIRCUYVXFXJGDL-HZSPNIEDSA-N 1 0 241.375 2.037 10 0 BEAERO CC(C)O[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000660897386 411662997 /nfs/dbraw/zinc/66/29/97/411662997.db2.gz IIRCUYVXFXJGDL-MELADBBJSA-N 1 0 241.375 2.037 10 0 BEAERO Cc1nc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)co1 ZINC000660905190 411667397 /nfs/dbraw/zinc/66/73/97/411667397.db2.gz VXJKYVQPPFRKRK-MVWJERBFSA-N 1 0 206.289 2.261 10 0 BEAERO CCOc1ccc(NC(=O)C[C@H](C)C[NH3+])cc1 ZINC000076619100 170550883 /nfs/dbraw/zinc/55/08/83/170550883.db2.gz GFJNSMGIGINFAJ-JTQLQIEISA-N 1 0 236.315 2.009 10 0 BEAERO CCOc1ccc(NC(=O)[C@H](C)CC[NH3+])cc1 ZINC000076619029 170551544 /nfs/dbraw/zinc/55/15/44/170551544.db2.gz PPCMNDMTSLPEKY-SNVBAGLBSA-N 1 0 236.315 2.009 10 0 BEAERO CCOc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000071525144 170560164 /nfs/dbraw/zinc/56/01/64/170560164.db2.gz FEDOJPVDUQAMRZ-QWHCGFSZSA-N 1 0 223.316 2.102 10 0 BEAERO C[C@@H]1OCC[C@@H]1Nc1nccc2c(N)cccc21 ZINC000663755552 411739264 /nfs/dbraw/zinc/73/92/64/411739264.db2.gz JOIGSGNAZNYWQL-ZANVPECISA-N 1 0 243.310 2.406 10 0 BEAERO CCOc1ccccc1[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000104101941 170599196 /nfs/dbraw/zinc/59/91/96/170599196.db2.gz SCHWIGDUPLGAAQ-DOMZBBRYSA-N 1 0 249.354 2.292 10 0 BEAERO CCOc1ccccc1[C@H](O)[C@@H]1CCCC[NH2+]1 ZINC000041265896 170599645 /nfs/dbraw/zinc/59/96/45/170599645.db2.gz RQWKFUBYUWGGSU-JSGCOSHPSA-N 1 0 235.327 2.261 10 0 BEAERO CCOc1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000035598752 170599774 /nfs/dbraw/zinc/59/97/74/170599774.db2.gz LGJGFHZSNKTEOJ-CYBMUJFWSA-N 1 0 221.300 2.136 10 0 BEAERO CCOc1ccccc1[C@](C)(O)C[NH2+]C1CC1 ZINC000033465502 170599906 /nfs/dbraw/zinc/59/99/06/170599906.db2.gz HXTYUFMTTAOGEA-CQSZACIVSA-N 1 0 235.327 2.045 10 0 BEAERO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(C)(C)O ZINC000661520907 411796160 /nfs/dbraw/zinc/79/61/60/411796160.db2.gz WBBMKTBMQGMNNC-GXFFZTMASA-N 1 0 219.328 2.075 10 0 BEAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])C1CCCCC1 ZINC000076622330 170745206 /nfs/dbraw/zinc/74/52/06/170745206.db2.gz YTFHHDGKRBYPHY-YPMHNXCESA-N 1 0 240.391 2.446 10 0 BEAERO CC[C@@H](C)[NH2+]CC[C@@H](O)c1cccc(N)c1 ZINC000098124783 170751329 /nfs/dbraw/zinc/75/13/29/170751329.db2.gz RUPYYWUBGSAAIC-ZWNOBZJWSA-N 1 0 222.332 2.080 10 0 BEAERO CC[C@@H](C)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000037786672 170760408 /nfs/dbraw/zinc/76/04/08/170760408.db2.gz IAHPZGNPTFJZCI-GFCCVEGCSA-N 1 0 238.379 2.435 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000034940638 170778839 /nfs/dbraw/zinc/77/88/39/170778839.db2.gz YOQJVYLATNERIU-YMTOWFKASA-N 1 0 232.327 2.251 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969665 170778921 /nfs/dbraw/zinc/77/89/21/170778921.db2.gz QKAXLXMJWQAAAO-AMIZOPFISA-N 1 0 218.300 2.227 10 0 BEAERO CC[C@@H]([NH3+])CCc1cc(OC)ccc1OC ZINC000070638152 170864804 /nfs/dbraw/zinc/86/48/04/170864804.db2.gz UIQPUZLOMQWSEW-LLVKDONJSA-N 1 0 223.316 2.374 10 0 BEAERO CC[C@@H]([NH3+])Cc1noc(-c2cccs2)n1 ZINC000054184682 170865989 /nfs/dbraw/zinc/86/59/89/170865989.db2.gz AKXNKNAUPVGDKB-SSDOTTSWSA-N 1 0 223.301 2.078 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000043256353 170868286 /nfs/dbraw/zinc/86/82/86/170868286.db2.gz FGUGTLFENRKAAZ-XRGYYRRGSA-N 1 0 205.710 2.172 10 0 BEAERO CC[C@@H](NC(=O)CC[C@H](C)[NH3+])c1cccs1 ZINC000069839964 170876105 /nfs/dbraw/zinc/87/61/05/170876105.db2.gz ILWUXTLXXUMNOV-VHSXEESVSA-N 1 0 240.372 2.443 10 0 BEAERO CC[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000037503400 170977511 /nfs/dbraw/zinc/97/75/11/170977511.db2.gz LMJNAACMHYSJDG-UPJWGTAASA-N 1 0 211.349 2.412 10 0 BEAERO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1CN ZINC000662246334 412043779 /nfs/dbraw/zinc/04/37/79/412043779.db2.gz SNBQWSCNHOJCEY-UWVGGRQHSA-N 1 0 220.307 2.091 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000126456628 170994416 /nfs/dbraw/zinc/99/44/16/170994416.db2.gz MTDTVKGJZQSUMK-OLZOCXBDSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@@H]1CC[N@@H+](C2CCCCC2)CCN1 ZINC000049661571 171009670 /nfs/dbraw/zinc/00/96/70/171009670.db2.gz LHCJNMFUQFGPJR-GFCCVEGCSA-N 1 0 210.365 2.393 10 0 BEAERO CC[C@@H]1CCN(Cc2ccncc2)CC[C@H](C)[NH2+]1 ZINC000049666605 171012371 /nfs/dbraw/zinc/01/23/71/171012371.db2.gz NCDRDNLIQMVPAM-DZGCQCFKSA-N 1 0 247.386 2.434 10 0 BEAERO CC[C@@H]1CCN(c2cccnc2)C[C@H](C)C[NH2+]1 ZINC000049662981 171014268 /nfs/dbraw/zinc/01/42/68/171014268.db2.gz VXODHGPWVJDTLW-CHWSQXEVSA-N 1 0 233.359 2.296 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)Cc2ccccn2)C1 ZINC000036777396 171039829 /nfs/dbraw/zinc/03/98/29/171039829.db2.gz WJKUTECWLQOSMH-BPLDGKMQSA-N 1 0 247.386 2.419 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000309164137 171045620 /nfs/dbraw/zinc/04/56/20/171045620.db2.gz IFBZJAZZPVYQFX-VOAKCMCISA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CN(CC)[C@H](c2ccccc2)C[NH2+]1 ZINC000071344375 171076611 /nfs/dbraw/zinc/07/66/11/171076611.db2.gz LYULUUSXMFZXRF-KGLIPLIRSA-N 1 0 218.344 2.431 10 0 BEAERO CC[C@@H]1CN([C@@H](C[NH2+]C(C)C)C(C)C)CCO1 ZINC000052476865 171094671 /nfs/dbraw/zinc/09/46/71/171094671.db2.gz KQYACVPCCZTBAM-KGLIPLIRSA-N 1 0 242.407 2.120 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccno1 ZINC000300404209 171099588 /nfs/dbraw/zinc/09/95/88/171099588.db2.gz HDNXWJMKSMZNLL-OLZOCXBDSA-N 1 0 249.358 2.123 10 0 BEAERO CC[C@@H]1C[NH2+][C@H]1c1ccc2c(c1)OCO2 ZINC000039100999 171102537 /nfs/dbraw/zinc/10/25/37/171102537.db2.gz GTYJJZSSXAIPFJ-PRHODGIISA-N 1 0 205.257 2.086 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1CCc1ccccc1 ZINC000068697362 171102997 /nfs/dbraw/zinc/10/29/97/171102997.db2.gz VXGDEIQREVYTPF-UKRRQHHQSA-N 1 0 232.371 2.301 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccc(OC)cc1 ZINC000068697375 171103330 /nfs/dbraw/zinc/10/33/30/171103330.db2.gz BALBEAQQECBJLT-TZMCWYRMSA-N 1 0 248.370 2.268 10 0 BEAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764414 171111937 /nfs/dbraw/zinc/11/19/37/171111937.db2.gz OKSRYDVXAIYHHG-HZSPNIEDSA-N 1 0 240.391 2.018 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccc(F)cc2F)C[NH2+]1 ZINC000036672812 171114089 /nfs/dbraw/zinc/11/40/89/171114089.db2.gz IVHMXKMVADTHSY-SKDRFNHKSA-N 1 0 227.254 2.404 10 0 BEAERO CC[C@@](C)(CCO)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000134462567 171165608 /nfs/dbraw/zinc/16/56/08/171165608.db2.gz ZPUKWBZJCZZYNP-AWEZNQCLSA-N 1 0 247.342 2.204 10 0 BEAERO CC[C@@](C)(C[NH3+])N1CCc2ccccc2C1 ZINC000019478292 171166959 /nfs/dbraw/zinc/16/69/59/171166959.db2.gz CMVOPOILQVDJRX-AWEZNQCLSA-N 1 0 218.344 2.172 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1cccc(F)c1 ZINC000119399084 171178336 /nfs/dbraw/zinc/17/83/36/171178336.db2.gz FEOIESCLPUMDPC-CYBMUJFWSA-N 1 0 225.307 2.419 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000335710243 171178457 /nfs/dbraw/zinc/17/84/57/171178457.db2.gz QGUIAIZXRMTCBU-ZIAGYGMSSA-N 1 0 241.375 2.040 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000123685662 171179974 /nfs/dbraw/zinc/17/99/74/171179974.db2.gz PPHSXTAGSVWOHM-CQSZACIVSA-N 1 0 237.318 2.345 10 0 BEAERO CC[C@@](CO)([NH2+]C)c1ccc(Cl)cc1 ZINC000038120976 171193069 /nfs/dbraw/zinc/19/30/69/171193069.db2.gz VDFYFCBQVDNBOH-NSHDSACASA-N 1 0 213.708 2.157 10 0 BEAERO CC[C@@](O)(C[NH2+]C)c1ccc(Cl)cc1 ZINC000032012881 171194710 /nfs/dbraw/zinc/19/47/10/171194710.db2.gz MPIUTIHMDRQUQL-LLVKDONJSA-N 1 0 213.708 2.157 10 0 BEAERO CC[C@@](O)(C[NH2+]C1CC1)c1ccc(C)cc1 ZINC000032013490 171195097 /nfs/dbraw/zinc/19/50/97/171195097.db2.gz FYHVKTCKGCGQLL-CQSZACIVSA-N 1 0 219.328 2.345 10 0 BEAERO CC[C@@]1(CN(C)Cc2ccncc2)CCC[NH2+]C1 ZINC000062862046 171210674 /nfs/dbraw/zinc/21/06/74/171210674.db2.gz JLNXUCPYSPNQEO-OAHLLOKOSA-N 1 0 247.386 2.293 10 0 BEAERO CC[C@H](C(=O)N(C)[C@@H](C)CC[NH3+])c1ccccc1 ZINC000063085727 171223089 /nfs/dbraw/zinc/22/30/89/171223089.db2.gz OQFMEQKXHJHSGS-JSGCOSHPSA-N 1 0 248.370 2.376 10 0 BEAERO CC[C@H](C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916950 171247987 /nfs/dbraw/zinc/24/79/87/171247987.db2.gz KLCLDPOJUMLTIL-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000097044664 171253950 /nfs/dbraw/zinc/25/39/50/171253950.db2.gz AYMTYFLCEWPTPS-GXTWGEPZSA-N 1 0 248.370 2.452 10 0 BEAERO CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1CC ZINC000122679921 171272759 /nfs/dbraw/zinc/27/27/59/171272759.db2.gz CNXYEIMDAGECST-STQMWFEESA-N 1 0 212.381 2.449 10 0 BEAERO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1ccccn1 ZINC000037172763 171273710 /nfs/dbraw/zinc/27/37/10/171273710.db2.gz BJQIGFVVAOFRKM-AAEUAGOBSA-N 1 0 221.348 2.059 10 0 BEAERO CC[C@H](C)C[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000054472357 171285830 /nfs/dbraw/zinc/28/58/30/171285830.db2.gz DZTUYSCJMHJAAP-VIFPVBQESA-N 1 0 238.306 2.060 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000054467345 171287291 /nfs/dbraw/zinc/28/72/91/171287291.db2.gz XZKFGOKGEWXBHS-JOYOIKCWSA-N 1 0 221.300 2.461 10 0 BEAERO CC[C@H](C)N(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000043512531 171303902 /nfs/dbraw/zinc/30/39/02/171303902.db2.gz YBYZUJYHOOBAEI-FZMZJTMJSA-N 1 0 246.354 2.130 10 0 BEAERO CC[C@H](C)N(C)c1nc2sccn2c1C[NH3+] ZINC000035430207 171309432 /nfs/dbraw/zinc/30/94/32/171309432.db2.gz ZBSHXCMQSLPTBQ-QMMMGPOBSA-N 1 0 238.360 2.089 10 0 BEAERO CC[C@H](C)N(CC[NH3+])Cc1cccc(F)c1 ZINC000076611832 171312834 /nfs/dbraw/zinc/31/28/34/171312834.db2.gz HWCSTMWCHWEBTN-NSHDSACASA-N 1 0 224.323 2.385 10 0 BEAERO CC[C@H](C)[N@H+](CCOC)[C@](C)(CN)CC(C)C ZINC000042577661 171314792 /nfs/dbraw/zinc/31/47/92/171314792.db2.gz ZEXVCWMQKCEDJW-KBPBESRZSA-N 1 0 244.423 2.497 10 0 BEAERO CC[C@H](C)N(CCOC)c1ccccc1C(N)=[NH2+] ZINC000042583939 171314889 /nfs/dbraw/zinc/31/48/89/171314889.db2.gz PLGWJGFZPHHHPT-NSHDSACASA-N 1 0 249.358 2.222 10 0 BEAERO CC[C@H](C)[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC ZINC000083085100 171320110 /nfs/dbraw/zinc/32/01/10/171320110.db2.gz PWWBEEJNRJZIRS-AVGNSLFASA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H]1CCc2ccccc21 ZINC000037617078 171339177 /nfs/dbraw/zinc/33/91/77/171339177.db2.gz LUTMUGOHRBWIDY-FZMZJTMJSA-N 1 0 246.354 2.178 10 0 BEAERO CC[C@H](C)[NH2+]C1(C(N)=O)CCCCCCC1 ZINC000038065351 171339504 /nfs/dbraw/zinc/33/95/04/171339504.db2.gz UVXIBZHKHSUICW-NSHDSACASA-N 1 0 226.364 2.343 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000042868576 171339865 /nfs/dbraw/zinc/33/98/65/171339865.db2.gz FRNUAHUNLFTPKN-RWMBFGLXSA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C)c(C)c1 ZINC000038065109 171348099 /nfs/dbraw/zinc/34/80/99/171348099.db2.gz HFJPLJPQDRAFQV-AAEUAGOBSA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1COc2cc(O)ccc21 ZINC000019882710 171348557 /nfs/dbraw/zinc/34/85/57/171348557.db2.gz RUQFRMFGYJYARF-KWQFWETISA-N 1 0 207.273 2.214 10 0 BEAERO CC[C@H](C)Oc1ccc2c(c1)NC(=O)[C@H]2[NH2+]C ZINC000103921333 171356113 /nfs/dbraw/zinc/35/61/13/171356113.db2.gz XBTBKYMTINLKGV-UFBFGSQYSA-N 1 0 234.299 2.077 10 0 BEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)[C@@H](C)CC ZINC000216433835 171364514 /nfs/dbraw/zinc/36/45/14/171364514.db2.gz USORLKBOGYPYJY-QJPTWQEYSA-N 1 0 228.380 2.315 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123955857 171388766 /nfs/dbraw/zinc/38/87/66/171388766.db2.gz COLKYNDHISSCOF-RYUDHWBXSA-N 1 0 209.337 2.216 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nnc(C)n1C(C)C ZINC000042030895 171397193 /nfs/dbraw/zinc/39/71/93/171397193.db2.gz FQMPABBMVMOZJU-WPRPVWTQSA-N 1 0 210.325 2.213 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1N(C)C ZINC000037508897 171396535 /nfs/dbraw/zinc/39/65/35/171396535.db2.gz VOCHYOUOBFIMHK-GWCFXTLKSA-N 1 0 249.358 2.065 10 0 BEAERO CC[C@H](C[NH3+])CC(=O)NC1CCCCCC1 ZINC000076612314 171430513 /nfs/dbraw/zinc/43/05/13/171430513.db2.gz ZFGQFJXUJDGEMN-NSHDSACASA-N 1 0 226.364 2.200 10 0 BEAERO CC[C@H](C[NH2+]C)N1CCc2ccccc21 ZINC000052420223 171436844 /nfs/dbraw/zinc/43/68/44/171436844.db2.gz BLVVOUMQLDOHHW-GFCCVEGCSA-N 1 0 204.317 2.047 10 0 BEAERO CC[C@H](C[NH2+]C)c1ccc(OC)cc1OC ZINC000041242863 171437899 /nfs/dbraw/zinc/43/78/99/171437899.db2.gz YAMMLZWVSBTRTO-SNVBAGLBSA-N 1 0 223.316 2.417 10 0 BEAERO CC[C@H](CO)[NH2+][C@H]1CSCc2ccccc21 ZINC000037239014 171453620 /nfs/dbraw/zinc/45/36/20/171453620.db2.gz FXYWCOIDKQEHIC-YPMHNXCESA-N 1 0 237.368 2.335 10 0 BEAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000662378489 412132269 /nfs/dbraw/zinc/13/22/69/412132269.db2.gz VSWICVKSDFDMSA-OCCSQVGLSA-N 1 0 248.370 2.479 10 0 BEAERO CC[C@H]([NH3+])CCNC(=O)OCc1ccccc1 ZINC000039952296 171483604 /nfs/dbraw/zinc/48/36/04/171483604.db2.gz ADGLXHWBSZTAIH-LBPRGKRZSA-N 1 0 236.315 2.040 10 0 BEAERO CC[C@H]([NH3+])c1nnc2ccc(C(F)(F)F)cn21 ZINC000035411330 171492354 /nfs/dbraw/zinc/49/23/54/171492354.db2.gz XDIGDISJDVUHHH-ZETCQYMHSA-N 1 0 244.220 2.158 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](Nc2cc[nH]n2)CC1 ZINC000616600335 412202084 /nfs/dbraw/zinc/20/20/84/412202084.db2.gz CEGBJJYIUZLGKU-LLVKDONJSA-N 1 0 236.363 2.475 10 0 BEAERO CC[C@H]([NH2+]C)[C@H](C)N1Cc2ccccc2C1 ZINC000050910882 171514575 /nfs/dbraw/zinc/51/45/75/171514575.db2.gz SAIITBKOYSKVAV-FZMZJTMJSA-N 1 0 218.344 2.389 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)COC)c1ccc(O)cc1 ZINC000019904754 171536622 /nfs/dbraw/zinc/53/66/22/171536622.db2.gz MIODRLPQFPJTHN-GWCFXTLKSA-N 1 0 223.316 2.468 10 0 BEAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC000309789221 487622665 /nfs/dbraw/zinc/62/26/65/487622665.db2.gz UBHVFRBSQDUADF-OLZOCXBDSA-N 1 0 223.360 2.414 10 0 BEAERO CC[C@H](O)COc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799166 171579777 /nfs/dbraw/zinc/57/97/77/171579777.db2.gz TZBKVGKWKBDKLN-GXFFZTMASA-N 1 0 235.327 2.043 10 0 BEAERO CCC1(CC)CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000662690364 412272044 /nfs/dbraw/zinc/27/20/44/412272044.db2.gz BSKAAOPJROFGHJ-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662712558 412279595 /nfs/dbraw/zinc/27/95/95/412279595.db2.gz GEXRKYIIOAMJEQ-STQMWFEESA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@H]1CCCCN1C(=O)C1([NH3+])CCCC1 ZINC000037479448 171604888 /nfs/dbraw/zinc/60/48/88/171604888.db2.gz IOVMIYLAAGZEHK-NSHDSACASA-N 1 0 224.348 2.049 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000662627231 412247543 /nfs/dbraw/zinc/24/75/43/412247543.db2.gz CQBREQHWQQDIEC-LOWDOPEQSA-N 1 0 240.391 2.302 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)CC ZINC000662855911 412325554 /nfs/dbraw/zinc/32/55/54/412325554.db2.gz XALAEBUTSGWIJL-UWVGGRQHSA-N 1 0 214.353 2.055 10 0 BEAERO CC(C)CC1(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000662926504 412346769 /nfs/dbraw/zinc/34/67/69/412346769.db2.gz UHXBOQJKHVOFRH-UHFFFAOYSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)CC1(NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000662926724 412347418 /nfs/dbraw/zinc/34/74/18/412347418.db2.gz VUEPITHWEIKUPM-LLVKDONJSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](Nc2cc[nH]n2)C1 ZINC000616627248 412295648 /nfs/dbraw/zinc/29/56/48/412295648.db2.gz DXKFQFCXNNLJLJ-NSHDSACASA-N 1 0 222.336 2.085 10 0 BEAERO CCc1c(C)nn([C@@H](C)[C@@H]([NH3+])CC)c1C ZINC000040732088 171741611 /nfs/dbraw/zinc/74/16/11/171741611.db2.gz UBTCQICEYJNYKN-JQWIXIFHSA-N 1 0 209.337 2.361 10 0 BEAERO CCc1cc(N)c2c(OC)ccc(OC)c2[nH+]1 ZINC000050870274 171761153 /nfs/dbraw/zinc/76/11/53/171761153.db2.gz NOUDRECBBGXSMW-UHFFFAOYSA-N 1 0 232.283 2.397 10 0 BEAERO CCc1cc([C@@H](CO)[NH2+]C(C)C)ccc1OC ZINC000071548272 171774172 /nfs/dbraw/zinc/77/41/72/171774172.db2.gz ARMHQJMYBQHPCD-CYBMUJFWSA-N 1 0 237.343 2.289 10 0 BEAERO CCc1cc([C@@H](O)C[NH2+]C(C)C)ccc1OC ZINC000071548267 171774245 /nfs/dbraw/zinc/77/42/45/171774245.db2.gz GVZGIKAKMKLFQI-ZDUSSCGKSA-N 1 0 237.343 2.289 10 0 BEAERO CCc1ccc(-c2nc([C@H](C)C[NH3+])no2)s1 ZINC000054158958 171780105 /nfs/dbraw/zinc/78/01/05/171780105.db2.gz MDTOTQXQNSZPBQ-SSDOTTSWSA-N 1 0 237.328 2.423 10 0 BEAERO CCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049455 171787229 /nfs/dbraw/zinc/78/72/29/171787229.db2.gz QVIJCKIGQQBBLU-KBPBESRZSA-N 1 0 246.354 2.249 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1ccc2ccccc2n1 ZINC000663280244 412408148 /nfs/dbraw/zinc/40/81/48/412408148.db2.gz FZVUMYRPVZSJMH-SNVBAGLBSA-N 1 0 215.300 2.255 10 0 BEAERO CCc1ccc(CNC(=O)[C@H]([NH3+])C(C)(C)C)cc1 ZINC000083379049 171803437 /nfs/dbraw/zinc/80/34/37/171803437.db2.gz CJMSDBZRNZCPLG-ZDUSSCGKSA-N 1 0 248.370 2.239 10 0 BEAERO CCCc1nccnc1NCC[NH+](CC)CC ZINC000663312875 412410743 /nfs/dbraw/zinc/41/07/43/412410743.db2.gz LAEJWJMWLKFXMO-UHFFFAOYSA-N 1 0 236.363 2.183 10 0 BEAERO CCc1ccc([C@@H](C)N2CC[NH2+]CC2)s1 ZINC000022129045 171828855 /nfs/dbraw/zinc/82/88/55/171828855.db2.gz BQRIUADXSFOVTO-SNVBAGLBSA-N 1 0 224.373 2.277 10 0 BEAERO CCc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)o1 ZINC000119090664 171830097 /nfs/dbraw/zinc/83/00/97/171830097.db2.gz MJDLNEFDPOAGNS-NXEZZACHSA-N 1 0 211.305 2.264 10 0 BEAERO CCc1ccc([C@@H]([NH3+])Cn2ccc(=O)cc2)cc1 ZINC000061627911 171833891 /nfs/dbraw/zinc/83/38/91/171833891.db2.gz CXLDHRUAESRWMX-HNNXBMFYSA-N 1 0 242.322 2.111 10 0 BEAERO CCc1cccc(CC)c1N1CC[C@H]([NH3+])C1 ZINC000070584865 171855141 /nfs/dbraw/zinc/85/51/41/171855141.db2.gz AMYGFSFWFQIOMN-ZDUSSCGKSA-N 1 0 218.344 2.349 10 0 BEAERO CCc1ccccc1N(CC)CCC[NH3+] ZINC000020240167 171883381 /nfs/dbraw/zinc/88/33/81/171883381.db2.gz IBJDDSMXBSXEPL-UHFFFAOYSA-N 1 0 206.333 2.424 10 0 BEAERO CCc1ccccc1OC[C@@H](C[NH3+])N1CCCC1 ZINC000020400544 171891507 /nfs/dbraw/zinc/89/15/07/171891507.db2.gz YDHZILFDNMURBT-CQSZACIVSA-N 1 0 248.370 2.051 10 0 BEAERO CCc1csc(N2CCC(CC[NH3+])CC2)n1 ZINC000061895194 171930604 /nfs/dbraw/zinc/93/06/04/171930604.db2.gz SMHIKBOOMIMZMS-UHFFFAOYSA-N 1 0 239.388 2.271 10 0 BEAERO CCc1nc([C@@H](C)[NH2+]CC(C)(C)O)cs1 ZINC000112546953 172002684 /nfs/dbraw/zinc/00/26/84/172002684.db2.gz LUPCDMDEUMIURL-MRVPVSSYSA-N 1 0 228.361 2.127 10 0 BEAERO CCc1nc([C@@H]2CCCO2)sc1C[NH2+]C ZINC000082423928 172003854 /nfs/dbraw/zinc/00/38/54/172003854.db2.gz HMMGEBRFKCLMIX-VIFPVBQESA-N 1 0 226.345 2.276 10 0 BEAERO CCc1[nH+]c2cc(N)ccc2n1C[C@@H]1CCOC1 ZINC000061148341 172010013 /nfs/dbraw/zinc/01/00/13/172010013.db2.gz BZQFNFLOOMAXDT-JTQLQIEISA-N 1 0 245.326 2.217 10 0 BEAERO CCc1nc2ccccc2n1[C@H](CC)C(N)=[NH2+] ZINC000062807752 172013419 /nfs/dbraw/zinc/01/34/19/172013419.db2.gz XXMVTCYMZDFIPV-SNVBAGLBSA-N 1 0 230.315 2.486 10 0 BEAERO CCc1nc2ccccc2n1C[C@@H]([NH3+])CC ZINC000057798929 172013550 /nfs/dbraw/zinc/01/35/50/172013550.db2.gz TUXWPCPHRCWQAM-JTQLQIEISA-N 1 0 217.316 2.336 10 0 BEAERO CCc1nc2cccc([C@H]3C[C@@H]3C[NH3+])c2o1 ZINC000145315951 172014535 /nfs/dbraw/zinc/01/45/35/172014535.db2.gz DGNSJDGKBFYVPO-SCZZXKLOSA-N 1 0 216.284 2.452 10 0 BEAERO CCc1ncc(C[NH2+][C@@H](C)[C@H]2CCCO2)s1 ZINC000037923980 172019376 /nfs/dbraw/zinc/01/93/76/172019376.db2.gz SPOWXRVNTRRUTL-GXSJLCMTSA-N 1 0 240.372 2.363 10 0 BEAERO CCc1ncc2c(n1)CC(C)(C)C[C@H]2[NH3+] ZINC000050094199 172023717 /nfs/dbraw/zinc/02/37/17/172023717.db2.gz JQAJYNXTFFOUSJ-SECBINFHSA-N 1 0 205.305 2.011 10 0 BEAERO CCc1nccn1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105922674 172029373 /nfs/dbraw/zinc/02/93/73/172029373.db2.gz XCXKIGRJLIFLPC-LBPRGKRZSA-N 1 0 221.348 2.491 10 0 BEAERO CCc1nccn1[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042902899 172029642 /nfs/dbraw/zinc/02/96/42/172029642.db2.gz RJHZDVUOYQXAOI-SMDDNHRTSA-N 1 0 229.327 2.382 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1ccccc1F ZINC000043046431 172029712 /nfs/dbraw/zinc/02/97/12/172029712.db2.gz MCEXAJRWZFLWRE-LBPRGKRZSA-N 1 0 233.290 2.133 10 0 BEAERO CCc1noc(C2([NH3+])CCCCCC2)n1 ZINC000041033212 172082401 /nfs/dbraw/zinc/08/24/01/172082401.db2.gz UNZVUSVMHSYBOC-UHFFFAOYSA-N 1 0 209.293 2.140 10 0 BEAERO CCn1c2cc(F)ccc2nc1[C@@H](C)C[NH3+] ZINC000054334393 172148042 /nfs/dbraw/zinc/14/80/42/172148042.db2.gz PITRTXYPOSMXJJ-QMMMGPOBSA-N 1 0 221.279 2.258 10 0 BEAERO CCn1cc(-c2csc([C@@H](C)C[NH3+])n2)cn1 ZINC000054158423 172149458 /nfs/dbraw/zinc/14/94/58/172149458.db2.gz FEJZOUKGOOIJHM-QMMMGPOBSA-N 1 0 236.344 2.089 10 0 BEAERO CCn1cc(-c2csc([C@H](C)[NH3+])n2)cn1 ZINC000044495434 172149720 /nfs/dbraw/zinc/14/97/20/172149720.db2.gz WMZWDSHQADNCEZ-ZETCQYMHSA-N 1 0 222.317 2.046 10 0 BEAERO CCn1cc(CC2(C[NH3+])CCCCC2)cn1 ZINC000054635469 172159240 /nfs/dbraw/zinc/15/92/40/172159240.db2.gz MNYZDISFWNWCIE-UHFFFAOYSA-N 1 0 221.348 2.355 10 0 BEAERO CCn1cc(C[C@H]([NH3+])CCc2ccccc2)cn1 ZINC000050543043 172176719 /nfs/dbraw/zinc/17/67/19/172176719.db2.gz CSHIUEMKQANXTQ-OAHLLOKOSA-N 1 0 243.354 2.406 10 0 BEAERO CCn1cc(C[C@]2([NH3+])CCC[C@@H](C)C2)cn1 ZINC000050541568 172177068 /nfs/dbraw/zinc/17/70/68/172177068.db2.gz AYCRXEGJJSDASE-YPMHNXCESA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000050542424 172177234 /nfs/dbraw/zinc/17/72/34/172177234.db2.gz VWGNPXMLBBZGRO-AWEZNQCLSA-N 1 0 229.327 2.016 10 0 BEAERO CCn1cc([C@H]2CCCC[C@H]2[NH2+]C)cn1 ZINC000060715344 172199063 /nfs/dbraw/zinc/19/90/63/172199063.db2.gz SZMKMILTQALBML-VXGBXAGGSA-N 1 0 207.321 2.149 10 0 BEAERO CCn1cc([C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000060714799 172199098 /nfs/dbraw/zinc/19/90/98/172199098.db2.gz SIVOVWGDCNBMIC-NEPJUHHUSA-N 1 0 207.321 2.278 10 0 BEAERO CCn1cc([C@H]([NH3+])c2ccccc2F)cn1 ZINC000062774609 172199369 /nfs/dbraw/zinc/19/93/69/172199369.db2.gz DKHGEFCOOCCLDD-LBPRGKRZSA-N 1 0 219.263 2.090 10 0 BEAERO CCn1cccc1C[NH2+]CCN1CCCCCC1 ZINC000091127442 172207445 /nfs/dbraw/zinc/20/74/45/172207445.db2.gz KUHCQFVCYMHMBO-UHFFFAOYSA-N 1 0 249.402 2.474 10 0 BEAERO CCn1cccc1C[NH2+]CCCCOC ZINC000085609279 172207543 /nfs/dbraw/zinc/20/75/43/172207543.db2.gz YJNJVDFMJDOPGC-UHFFFAOYSA-N 1 0 210.321 2.024 10 0 BEAERO CCn1cccc1C[NH2+]C1(C)CCOCC1 ZINC000229894681 172208031 /nfs/dbraw/zinc/20/80/31/172208031.db2.gz VPRXKCDYQHFQCE-UHFFFAOYSA-N 1 0 222.332 2.167 10 0 BEAERO CCn1cccc1C[NH2+]Cc1ccnc(OC)c1 ZINC000091127741 172208105 /nfs/dbraw/zinc/20/81/05/172208105.db2.gz AIHQCIDJOINXKQ-UHFFFAOYSA-N 1 0 245.326 2.201 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000296676626 172208894 /nfs/dbraw/zinc/20/88/94/172208894.db2.gz GNZRJISEOYHOMA-DGCLKSJQSA-N 1 0 222.332 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@H](C)CSC ZINC000127400248 172208934 /nfs/dbraw/zinc/20/89/34/172208934.db2.gz JYTJMHYUBGFFIV-SNVBAGLBSA-N 1 0 212.362 2.349 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000294930511 172209487 /nfs/dbraw/zinc/20/94/87/172209487.db2.gz BFRJSVMXDODKNC-NSHDSACASA-N 1 0 232.331 2.092 10 0 BEAERO CCn1ccnc1[C@H]([NH3+])c1ccc(C)cc1 ZINC000011735134 172229895 /nfs/dbraw/zinc/22/98/95/172229895.db2.gz MGAZWTUWPUZISL-GFCCVEGCSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CC2)c1C ZINC000045166812 172248796 /nfs/dbraw/zinc/24/87/96/172248796.db2.gz QGISATWMHUTRPE-MRVPVSSYSA-N 1 0 207.321 2.333 10 0 BEAERO CCn1ncc(C[NH2+]C)c1-c1ccccc1 ZINC000042188721 172254926 /nfs/dbraw/zinc/25/49/26/172254926.db2.gz SLLLPJXRRIMXDY-UHFFFAOYSA-N 1 0 215.300 2.289 10 0 BEAERO CN(C(=O)C[NH2+]CCC1=CCCCC1)C1CC1 ZINC000051756426 172309565 /nfs/dbraw/zinc/30/95/65/172309565.db2.gz LNIHJIFJXXALTK-UHFFFAOYSA-N 1 0 236.359 2.087 10 0 BEAERO CN(C(=O)OC1CCC([NH3+])CC1)C(C)(C)C ZINC000095936487 172325205 /nfs/dbraw/zinc/32/52/05/172325205.db2.gz LEKGTELBSSKGOG-UHFFFAOYSA-N 1 0 228.336 2.123 10 0 BEAERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000055086179 172333413 /nfs/dbraw/zinc/33/34/13/172333413.db2.gz VYNMPFRCMHJHPX-RYUDHWBXSA-N 1 0 238.375 2.295 10 0 BEAERO C[NH+](C)CCNCc1cc(Cl)ccc1F ZINC000083357729 172466223 /nfs/dbraw/zinc/46/62/23/172466223.db2.gz LISZOVKFVCJSFI-UHFFFAOYSA-N 1 0 230.714 2.130 10 0 BEAERO C[NH+](C)CC[C@@H]1CCCCN1C(=O)C1CCC1 ZINC000065288689 172476458 /nfs/dbraw/zinc/47/64/58/172476458.db2.gz MQJDUSPLIGDCKQ-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO CN(C)C[C@H]([NH3+])c1cc(Br)cs1 ZINC000071563974 172493228 /nfs/dbraw/zinc/49/32/28/172493228.db2.gz UFASRXZESVPFTP-ZETCQYMHSA-N 1 0 249.177 2.072 10 0 BEAERO CN(C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000020475246 172532839 /nfs/dbraw/zinc/53/28/39/172532839.db2.gz DFVZHPFKTNYCQJ-SSDOTTSWSA-N 1 0 249.177 2.072 10 0 BEAERO CN(C)[C@H](C[NH2+]C1CCC1)c1ccco1 ZINC000044480239 172534951 /nfs/dbraw/zinc/53/49/51/172534951.db2.gz VQTWTKNOUASCDQ-LLVKDONJSA-N 1 0 208.305 2.024 10 0 BEAERO CN(C[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000062910744 172820298 /nfs/dbraw/zinc/82/02/98/172820298.db2.gz RSOKXADSXRVNIJ-ZDUSSCGKSA-N 1 0 204.317 2.122 10 0 BEAERO CN(c1ccccc1)[C@H]1CCC[C@H]([NH3+])C1 ZINC000071509207 172949916 /nfs/dbraw/zinc/94/99/16/172949916.db2.gz JXATZSPJCVHWPE-AAEUAGOBSA-N 1 0 204.317 2.393 10 0 BEAERO CN(c1ccnc(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000335658830 172951410 /nfs/dbraw/zinc/95/14/10/172951410.db2.gz BPJQTKFHLBQBJK-UHFFFAOYSA-N 1 0 245.248 2.026 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1CNc1ccc(O)cc1 ZINC000054242465 173005058 /nfs/dbraw/zinc/00/50/58/173005058.db2.gz SADKAIQHCVKNKY-GFCCVEGCSA-N 1 0 220.316 2.288 10 0 BEAERO CN1CCCC[C@H]1C[NH2+]C1(C)CCCC1 ZINC000054243537 173009315 /nfs/dbraw/zinc/00/93/15/173009315.db2.gz DRYVGYFVXJNDMZ-LBPRGKRZSA-N 1 0 210.365 2.393 10 0 BEAERO C[N@@H+]1CCC[C@@H]1CNc1ncnc2ccccc21 ZINC000049099951 173032909 /nfs/dbraw/zinc/03/29/09/173032909.db2.gz NWCFLQPUDWLRDP-LLVKDONJSA-N 1 0 242.326 2.136 10 0 BEAERO C[N@@H+]1CCC[C@@H]1Cc1cc2cccnc2[nH]1 ZINC000029130102 173033851 /nfs/dbraw/zinc/03/38/51/173033851.db2.gz IUWFNLKNENWKCN-GFCCVEGCSA-N 1 0 215.300 2.200 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2cccc(O)c2)C1 ZINC000054240413 173041483 /nfs/dbraw/zinc/04/14/83/173041483.db2.gz LPBYABAZRJYENU-LLVKDONJSA-N 1 0 220.316 2.146 10 0 BEAERO C[N@@H+]1CCC[C@H](COc2ccc(N)cc2F)C1 ZINC000020352222 173042310 /nfs/dbraw/zinc/04/23/10/173042310.db2.gz IBILAMKTKFUTNM-JTQLQIEISA-N 1 0 238.306 2.129 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2ncccc2Cl)C1 ZINC000040673513 173046046 /nfs/dbraw/zinc/04/60/46/173046046.db2.gz HBOVMRUVPVULED-VIFPVBQESA-N 1 0 225.723 2.241 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCO3)CC1 ZINC000076692653 173046096 /nfs/dbraw/zinc/04/60/96/173046096.db2.gz ZQKBECLUHBWARZ-NSHDSACASA-N 1 0 248.326 2.312 10 0 BEAERO CN1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000040672717 173046461 /nfs/dbraw/zinc/04/64/61/173046461.db2.gz SMOKSFPNVPYPEQ-VIFPVBQESA-N 1 0 228.723 2.117 10 0 BEAERO CN1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000026296509 173080863 /nfs/dbraw/zinc/08/08/63/173080863.db2.gz SXILFPQESHGEGQ-UITAMQMPSA-N 1 0 230.355 2.337 10 0 BEAERO C[N@@H+]1CCS[C@@H](c2cccc(O)c2)C1 ZINC000039316107 173110194 /nfs/dbraw/zinc/11/01/94/173110194.db2.gz AXSFOLPPBXFRJF-LLVKDONJSA-N 1 0 209.314 2.112 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000042548198 173125964 /nfs/dbraw/zinc/12/59/64/173125964.db2.gz XPAJPGDKQJKODY-GFCCVEGCSA-N 1 0 227.311 2.351 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2cc(F)c(F)c(F)c2)C1 ZINC000061989927 173126193 /nfs/dbraw/zinc/12/61/93/173126193.db2.gz ZWPPDVMVOBGTPI-SSDOTTSWSA-N 1 0 230.233 2.220 10 0 BEAERO C[N@@H+]1CC[C@H](CNCc2ccc(F)cc2F)C1 ZINC000037645824 173147665 /nfs/dbraw/zinc/14/76/65/173147665.db2.gz BBSBZHJGYJOQTC-SNVBAGLBSA-N 1 0 240.297 2.006 10 0 BEAERO C[N@@H+]1CC[C@H](Oc2cc(N)ccc2Cl)C1 ZINC000067175878 173156171 /nfs/dbraw/zinc/15/61/71/173156171.db2.gz SXOQPNTZRMVGBT-VIFPVBQESA-N 1 0 226.707 2.005 10 0 BEAERO C[N@@H+]1CCc2c(O)ccc3c2[C@H](CCC3)C1 ZINC000027726634 173167308 /nfs/dbraw/zinc/16/73/08/173167308.db2.gz NZRACWPIOQVLQB-LLVKDONJSA-N 1 0 217.312 2.300 10 0 BEAERO C[N@@H+]1CCc2[nH]nc(-c3cccs3)c2C1 ZINC000082807615 173168364 /nfs/dbraw/zinc/16/83/64/173168364.db2.gz FLYCOZPYMOGPAM-UHFFFAOYSA-N 1 0 219.313 2.126 10 0 BEAERO C[N@H+]1CCc2cc(Br)oc2CC1 ZINC000082348149 173169647 /nfs/dbraw/zinc/16/96/47/173169647.db2.gz REDXXLCDBOUCEL-UHFFFAOYSA-N 1 0 230.105 2.073 10 0 BEAERO C[N@@H+]1CCc2c(sc(N)c2-c2ccccn2)C1 ZINC000058016783 173170899 /nfs/dbraw/zinc/17/08/99/173170899.db2.gz HEEOVDHPDKHYQG-UHFFFAOYSA-N 1 0 245.351 2.380 10 0 BEAERO CN1C[C@@H](CC[NH3+])c2cccc(Cl)c21 ZINC000071484032 173183098 /nfs/dbraw/zinc/18/30/98/173183098.db2.gz JKPYROCTRPGVLS-MRVPVSSYSA-N 1 0 210.708 2.222 10 0 BEAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000037207552 173277722 /nfs/dbraw/zinc/27/77/22/173277722.db2.gz WATKTPWJMQEQOK-NSHDSACASA-N 1 0 234.343 2.207 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)cc1F ZINC000061316115 173318247 /nfs/dbraw/zinc/31/82/47/173318247.db2.gz GUIMKUMHARYRIB-UHFFFAOYSA-N 1 0 244.697 2.416 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(F)ccc1C ZINC000061300216 173318523 /nfs/dbraw/zinc/31/85/23/173318523.db2.gz OOJNHOUXYAXNHE-UHFFFAOYSA-N 1 0 224.279 2.071 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)C1CCCCC1 ZINC000061319287 173318636 /nfs/dbraw/zinc/31/86/36/173318636.db2.gz BPRSJAGFDJCFRO-SNVBAGLBSA-N 1 0 226.364 2.069 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(Cl)c1F ZINC000061300335 173319180 /nfs/dbraw/zinc/31/91/80/173319180.db2.gz GPUOAYJPSMYDJM-UHFFFAOYSA-N 1 0 244.697 2.416 10 0 BEAERO C[NH2+]C(C)(C)c1nc2c(cccc2F)[nH]1 ZINC000061149837 173320949 /nfs/dbraw/zinc/32/09/49/173320949.db2.gz ULRGBGKZCQJCMO-UHFFFAOYSA-N 1 0 207.252 2.157 10 0 BEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1cccnc1 ZINC000054628078 173323954 /nfs/dbraw/zinc/32/39/54/173323954.db2.gz ZNEIPEWPTXPPTA-PRTUASRFSA-N 1 0 245.370 2.357 10 0 BEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCCOC ZINC000054602455 173324074 /nfs/dbraw/zinc/32/40/74/173324074.db2.gz LROOZKBLDXEEAN-AGUYFDCRSA-N 1 0 240.391 2.018 10 0 BEAERO C[NH2+]CC(=O)c1cccc(Cl)c1Cl ZINC000082536362 173336557 /nfs/dbraw/zinc/33/65/57/173336557.db2.gz UMVAVFTYBVKRKO-UHFFFAOYSA-N 1 0 218.083 2.396 10 0 BEAERO C[NH2+]CCC(=O)OCc1c(C)[nH]c2ccccc21 ZINC000077402131 173342027 /nfs/dbraw/zinc/34/20/27/173342027.db2.gz JZEQANJPNRLPEE-UHFFFAOYSA-N 1 0 246.310 2.129 10 0 BEAERO C[NH2+]CCCCCC(=O)N1CCC(C)CC1 ZINC000077340265 173345343 /nfs/dbraw/zinc/34/53/43/173345343.db2.gz MVTLLXGJBRNILT-UHFFFAOYSA-N 1 0 226.364 2.025 10 0 BEAERO C[NH2+]CCCN(C)c1cc(C)ccc1OC ZINC000077334453 173347079 /nfs/dbraw/zinc/34/70/79/173347079.db2.gz JYTBXLYWBCVWCM-UHFFFAOYSA-N 1 0 222.332 2.049 10 0 BEAERO C[NH2+]CCCOCc1ccc(F)c(F)c1 ZINC000077306961 173350007 /nfs/dbraw/zinc/35/00/07/173350007.db2.gz JVIXWEAVFRHDJI-UHFFFAOYSA-N 1 0 215.243 2.091 10 0 BEAERO C[NH2+]CCOCc1cc(C)cc(C)c1OC ZINC000077336071 173357047 /nfs/dbraw/zinc/35/70/47/173357047.db2.gz DKYNPHSZBOVYDL-UHFFFAOYSA-N 1 0 223.316 2.048 10 0 BEAERO C[NH2+]CCOCCc1ccc2c(c1)CCCC2 ZINC000077367517 173357081 /nfs/dbraw/zinc/35/70/81/173357081.db2.gz VFYHBSFUEXJJGE-UHFFFAOYSA-N 1 0 233.355 2.344 10 0 BEAERO C[NH2+]CCSc1cc(F)ccc1F ZINC000042408963 173357438 /nfs/dbraw/zinc/35/74/38/173357438.db2.gz WOPRMYDAYUMBBM-UHFFFAOYSA-N 1 0 203.257 2.276 10 0 BEAERO C[NH2+]CCOc1ccc(Cl)c2cccnc12 ZINC000020525292 173357499 /nfs/dbraw/zinc/35/74/99/173357499.db2.gz GVSMHAITWCRAHG-UHFFFAOYSA-N 1 0 236.702 2.486 10 0 BEAERO C[NH2+]CCSc1ccc(F)c(F)c1 ZINC000042407675 173357664 /nfs/dbraw/zinc/35/76/64/173357664.db2.gz ZTGKAXLSAMVETJ-UHFFFAOYSA-N 1 0 203.257 2.276 10 0 BEAERO C[NH2+]CC[C@@H](C)Cc1ccccc1OC ZINC000041216359 173357975 /nfs/dbraw/zinc/35/79/75/173357975.db2.gz VRRHFWCLQNQMNA-LLVKDONJSA-N 1 0 207.317 2.483 10 0 BEAERO C[NH2+]CC[C@H](C)Oc1ccccc1OC ZINC000041218703 173358587 /nfs/dbraw/zinc/35/85/87/173358587.db2.gz NKMLOLITGZKTNL-JTQLQIEISA-N 1 0 209.289 2.072 10 0 BEAERO C[NH2+]CCc1cc(Br)cs1 ZINC000053301978 173359788 /nfs/dbraw/zinc/35/97/88/173359788.db2.gz YNCIVGKQBFNXBW-UHFFFAOYSA-N 1 0 220.135 2.273 10 0 BEAERO C[NH2+]CCc1ccc2sccc2c1O ZINC000082941287 173360597 /nfs/dbraw/zinc/36/05/97/173360597.db2.gz XNXPRPVNNAGFKL-UHFFFAOYSA-N 1 0 207.298 2.369 10 0 BEAERO C[NH2+]CCc1nc2cc(OC)ccc2n1C(C)C ZINC000074297955 173361061 /nfs/dbraw/zinc/36/10/61/173361061.db2.gz SFWKILQKPWBDET-UHFFFAOYSA-N 1 0 247.342 2.388 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1nccc2sccc21 ZINC000051867082 173365025 /nfs/dbraw/zinc/36/50/25/173365025.db2.gz SFPLAIDSPHOYNS-MRVPVSSYSA-N 1 0 222.313 2.283 10 0 BEAERO C[NH2+]C[C@@H](O)c1c[nH]c2c1cccc2Cl ZINC000071487924 173365554 /nfs/dbraw/zinc/36/55/54/173365554.db2.gz AYRCBDFLQPLIPH-SNVBAGLBSA-N 1 0 224.691 2.074 10 0 BEAERO C[NH2+]C[C@@H](O)c1cccc(Cl)c1Cl ZINC000055027165 173366421 /nfs/dbraw/zinc/36/64/21/173366421.db2.gz BXGAXWZGUMWWBB-MRVPVSSYSA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@@H](OCCCOC)c1ccccc1C ZINC000050486455 173366744 /nfs/dbraw/zinc/36/67/44/173366744.db2.gz IJDSVFDEUUDWAT-CQSZACIVSA-N 1 0 237.343 2.309 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000019862031 173366770 /nfs/dbraw/zinc/36/67/70/173366770.db2.gz ZVAIRWNDOBFCGA-NSHDSACASA-N 1 0 212.724 2.162 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(OC)cc1 ZINC000054589659 173371398 /nfs/dbraw/zinc/37/13/98/173371398.db2.gz UCPZVZXSVHBXQL-AAEUAGOBSA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(F)c(F)c1 ZINC000054589528 173371548 /nfs/dbraw/zinc/37/15/48/173371548.db2.gz QWENKPVCPFLGHD-CABZTGNLSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000054588418 173371675 /nfs/dbraw/zinc/37/16/75/173371675.db2.gz GTJOJPVWCGMEHG-FZMZJTMJSA-N 1 0 227.311 2.195 10 0 BEAERO C[NH2+]C[C@@H]1CC[C@H](COc2ccc(C)c(C)c2)O1 ZINC000052666116 173371680 /nfs/dbraw/zinc/37/16/80/173371680.db2.gz FDFSRWXXQCHXOV-LSDHHAIUSA-N 1 0 249.354 2.449 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1cc(Cl)ccc1Cl ZINC000055032691 173372580 /nfs/dbraw/zinc/37/25/80/173372580.db2.gz VBZFIZIJAUNWAO-SNVBAGLBSA-N 1 0 234.126 2.420 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1ccc(F)cc1F ZINC000054589557 173372581 /nfs/dbraw/zinc/37/25/81/173372581.db2.gz PTBSWGZAKVDUHP-UFBFGSQYSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000055032678 173373216 /nfs/dbraw/zinc/37/32/16/173373216.db2.gz YSECOEJUFRJTLW-SNVBAGLBSA-N 1 0 233.233 2.132 10 0 BEAERO C[NH2+]C[C@@]1(Cc2cc(C)ccc2OC)CCOC1 ZINC000054663908 173373495 /nfs/dbraw/zinc/37/34/95/173373495.db2.gz RHXOTOUOIAJEQW-HNNXBMFYSA-N 1 0 249.354 2.172 10 0 BEAERO C[NH2+]C[C@H](C)CCOc1ccc2c(c1)OCO2 ZINC000041278569 173375545 /nfs/dbraw/zinc/37/55/45/173375545.db2.gz RHGHHFLDUHVUJE-SNVBAGLBSA-N 1 0 237.299 2.040 10 0 BEAERO C[NH2+]C[C@H](C)Oc1nccc2sccc21 ZINC000051867079 173375904 /nfs/dbraw/zinc/37/59/04/173375904.db2.gz SFPLAIDSPHOYNS-QMMMGPOBSA-N 1 0 222.313 2.283 10 0 BEAERO C[NH2+]C[C@H](C)Oc1cccc(Br)c1 ZINC000052673867 173375952 /nfs/dbraw/zinc/37/59/52/173375952.db2.gz MULDQXXOPRPNCD-QMMMGPOBSA-N 1 0 244.132 2.436 10 0 BEAERO C[NH2+]C[C@H](C)Oc1ccc(Br)cc1 ZINC000052664073 173376211 /nfs/dbraw/zinc/37/62/11/173376211.db2.gz GXONJGRHSWQQMX-QMMMGPOBSA-N 1 0 244.132 2.436 10 0 BEAERO C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000013515360 173377208 /nfs/dbraw/zinc/37/72/08/173377208.db2.gz JXQCVKCHXCEYSQ-VIFPVBQESA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000037871866 173377661 /nfs/dbraw/zinc/37/76/61/173377661.db2.gz PGJYKUWYKVJKJC-ZDUSSCGKSA-N 1 0 201.269 2.093 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(C)cc2C)C1 ZINC000011892146 173381560 /nfs/dbraw/zinc/38/15/60/173381560.db2.gz DCGZKCVDEISXNU-CYBMUJFWSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccc(C(F)(F)F)cc1 ZINC000055032749 173383196 /nfs/dbraw/zinc/38/31/96/173383196.db2.gz GERUIBBLZOEPNJ-JTQLQIEISA-N 1 0 233.233 2.132 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1cccc(OC)c1 ZINC000054589851 173383394 /nfs/dbraw/zinc/38/33/94/173383394.db2.gz YXAYDAFNPBMMMF-DGCLKSJQSA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]Cc1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000050478977 173384622 /nfs/dbraw/zinc/38/46/22/173384622.db2.gz FBDQKEPPVQQSCM-UHFFFAOYSA-N 1 0 215.300 2.413 10 0 BEAERO C[NH2+]Cc1c(Cl)nc2scc(C)n12 ZINC000075424017 173384966 /nfs/dbraw/zinc/38/49/66/173384966.db2.gz ZDXAGLAWXUJNJP-UHFFFAOYSA-N 1 0 215.709 2.077 10 0 BEAERO C[NH2+]Cc1c(N(C)CC(C)C)nc2ccccn21 ZINC000035449296 173385326 /nfs/dbraw/zinc/38/53/26/173385326.db2.gz YJVAQFRRSKQJTN-UHFFFAOYSA-N 1 0 246.358 2.146 10 0 BEAERO C[NH2+]Cc1cc(-c2ccc(F)cc2F)n[nH]1 ZINC000050478987 173385396 /nfs/dbraw/zinc/38/53/96/173385396.db2.gz YNZIUSOQDAEEQK-UHFFFAOYSA-N 1 0 223.226 2.074 10 0 BEAERO C[NH2+]Cc1cc(C)nc(Cc2cccc(F)c2)n1 ZINC000054830876 173385825 /nfs/dbraw/zinc/38/58/25/173385825.db2.gz YZTYXTSLQODLFU-UHFFFAOYSA-N 1 0 245.301 2.234 10 0 BEAERO C[NH2+]Cc1cc(-c2ccccc2C)n[nH]1 ZINC000050478975 173386205 /nfs/dbraw/zinc/38/62/05/173386205.db2.gz PONJEESUHIGMAJ-UHFFFAOYSA-N 1 0 201.273 2.105 10 0 BEAERO C[NH2+]Cc1cc(N(C)C)c2ccccc2n1 ZINC000062572048 173386799 /nfs/dbraw/zinc/38/67/99/173386799.db2.gz LOGWCTCJXZJSFV-UHFFFAOYSA-N 1 0 215.300 2.020 10 0 BEAERO C[NH2+]Cc1ccc(-n2ncc3ccccc32)nc1 ZINC000051488103 173388531 /nfs/dbraw/zinc/38/85/31/173388531.db2.gz NSXHSSXMSQUFHL-UHFFFAOYSA-N 1 0 238.294 2.140 10 0 BEAERO C[NH2+]Cc1ccc(OC[C@@H]2CC=CC[C@@H]2C)nn1 ZINC000051543063 173389057 /nfs/dbraw/zinc/38/90/57/173389057.db2.gz QRHZMADNJPTQCK-RYUDHWBXSA-N 1 0 247.342 2.177 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)c2cscn2)c1 ZINC000062358575 173389780 /nfs/dbraw/zinc/38/97/80/173389780.db2.gz VHQJUZQDTHFCKO-UHFFFAOYSA-N 1 0 247.323 2.115 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)c2ccco2)c1 ZINC000036282585 173389808 /nfs/dbraw/zinc/38/98/08/173389808.db2.gz BGVIJUGFVXQHGS-UHFFFAOYSA-N 1 0 230.267 2.251 10 0 BEAERO C[NH2+]Cc1ccccc1Cn1cnc(C)c1C ZINC000052593751 173390085 /nfs/dbraw/zinc/39/00/85/173390085.db2.gz PSXLYMPICUBYAT-UHFFFAOYSA-N 1 0 229.327 2.268 10 0 BEAERO C[NH2+]Cc1ccnc(-c2ccc(F)c(F)c2)n1 ZINC000054791204 173391323 /nfs/dbraw/zinc/39/13/23/173391323.db2.gz WNCJVLRUJVQITB-UHFFFAOYSA-N 1 0 235.237 2.141 10 0 BEAERO C[NH2+]Cc1cnc(N2CCCC2)c(Cl)c1 ZINC000051399144 173392104 /nfs/dbraw/zinc/39/21/04/173392104.db2.gz IZYSYEJHUZZSSA-UHFFFAOYSA-N 1 0 225.723 2.055 10 0 BEAERO C[NH2+]Cc1cnc(-c2ccc(C)cc2)nc1 ZINC000054855521 173392558 /nfs/dbraw/zinc/39/25/58/173392558.db2.gz JWNBFVZDAOZPGF-UHFFFAOYSA-N 1 0 213.284 2.171 10 0 BEAERO C[NH2+]Cc1nc(CN(C)c2ccccc2)cs1 ZINC000052379654 173395302 /nfs/dbraw/zinc/39/53/02/173395302.db2.gz KSWFROMCQIPOKO-UHFFFAOYSA-N 1 0 247.367 2.499 10 0 BEAERO C[NH2+]Cc1nnc(-c2ccc(C)cc2C)o1 ZINC000050615305 173397631 /nfs/dbraw/zinc/39/76/31/173397631.db2.gz RIIHDNSTFUUZRE-UHFFFAOYSA-N 1 0 217.272 2.073 10 0 BEAERO C[NH2+]Cc1nccn1Cc1ccccc1Cl ZINC000051004547 173398107 /nfs/dbraw/zinc/39/81/07/173398107.db2.gz NETKUHJFGOJACM-UHFFFAOYSA-N 1 0 235.718 2.304 10 0 BEAERO C[NH2+]Cc1oc2ccccc2c1COC ZINC000052602285 173399399 /nfs/dbraw/zinc/39/93/99/173399399.db2.gz XAWPWAXARFNWNS-UHFFFAOYSA-N 1 0 205.257 2.299 10 0 BEAERO C[NH2+][C@@H](C)CCc1cccc(OC)c1OC ZINC000062164223 173414865 /nfs/dbraw/zinc/41/48/65/173414865.db2.gz CLKZZHQTAWXMKP-JTQLQIEISA-N 1 0 223.316 2.244 10 0 BEAERO C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000082597171 173418693 /nfs/dbraw/zinc/41/86/93/173418693.db2.gz ZPXPISKIKPCXPY-QMMMGPOBSA-N 1 0 218.300 2.197 10 0 BEAERO C[NH2+][C@@H](C)c1cnc(-c2ccco2)nc1C ZINC000054962749 173419961 /nfs/dbraw/zinc/41/99/61/173419961.db2.gz UKKZEJSHIMNIHY-QMMMGPOBSA-N 1 0 217.272 2.325 10 0 BEAERO C[NH2+][C@@H]1CCCCC[C@@H]1Cc1cnn(C)c1 ZINC000050540856 173431408 /nfs/dbraw/zinc/43/14/08/173431408.db2.gz KZVRORVBNHLCES-CHWSQXEVSA-N 1 0 221.348 2.131 10 0 BEAERO C[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)C(C)(C)C)C1 ZINC000104446746 173432577 /nfs/dbraw/zinc/43/25/77/173432577.db2.gz SGRQQOLGCNFIRJ-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+][C@@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095071453 173434016 /nfs/dbraw/zinc/43/40/16/173434016.db2.gz LZWWLUALJCAILV-SNVBAGLBSA-N 1 0 247.367 2.485 10 0 BEAERO C[NH2+][C@@H]1CCC[S@](=O)c2c(F)cc(F)cc21 ZINC000040977163 173434101 /nfs/dbraw/zinc/43/41/01/173434101.db2.gz HTOHZXFRLODXNM-QLJPJBMISA-N 1 0 245.294 2.127 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]1Oc1cccc(F)c1 ZINC000044056990 173434811 /nfs/dbraw/zinc/43/48/11/173434811.db2.gz AGWPKVFKKMEDQL-VXGBXAGGSA-N 1 0 209.264 2.345 10 0 BEAERO C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC000049709457 173435815 /nfs/dbraw/zinc/43/58/15/173435815.db2.gz SPTVONHKJBNKBV-BXUZGUMPSA-N 1 0 236.334 2.398 10 0 BEAERO C[NH2+][C@@H]1CCOC[C@@H]1Oc1ccc(Cl)cc1 ZINC000049960477 173438111 /nfs/dbraw/zinc/43/81/11/173438111.db2.gz VFURVWDWZGHOSJ-NEPJUHHUSA-N 1 0 241.718 2.096 10 0 BEAERO C[NH2+][C@@H]1CC[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000071536891 173438227 /nfs/dbraw/zinc/43/82/27/173438227.db2.gz BYAQHERDUZTDEJ-CMPLNLGQSA-N 1 0 233.311 2.313 10 0 BEAERO C[NH2+][C@H](C)[C@@H](C)Oc1cc(F)cc(F)c1 ZINC000054932687 173447912 /nfs/dbraw/zinc/44/79/12/173447912.db2.gz LTWLQOPTEHZJHQ-HTQZYQBOSA-N 1 0 215.243 2.340 10 0 BEAERO C[NH2+][C@H](C[C@@H]1CCCO1)c1cncc(F)c1 ZINC000049576342 173453874 /nfs/dbraw/zinc/45/38/74/173453874.db2.gz DGJDFFWSNVOXRK-NWDGAFQWSA-N 1 0 224.279 2.050 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@H]1C[C@H]1C ZINC000035487611 173458093 /nfs/dbraw/zinc/45/80/93/173458093.db2.gz SNJIRWXBLUPETF-OLUVUFQESA-N 1 0 233.311 2.374 10 0 BEAERO C[NH2+][C@H]1C[C@@H](C)c2c1cc(OC)cc2OC ZINC000082618020 173468727 /nfs/dbraw/zinc/46/87/27/173468727.db2.gz SSZKHDXNOKEXNS-KCJUWKMLSA-N 1 0 221.300 2.472 10 0 BEAERO COC(=O)CCC[NH2+]Cc1cccc(Cl)c1 ZINC000037395170 173542151 /nfs/dbraw/zinc/54/21/51/173542151.db2.gz ADEUAUCBJAGPIF-UHFFFAOYSA-N 1 0 241.718 2.383 10 0 BEAERO COC(=O)CC[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000057461012 173564263 /nfs/dbraw/zinc/56/42/63/173564263.db2.gz OGHDWLJASFTGGE-MISXGVKJSA-N 1 0 239.359 2.354 10 0 BEAERO COC(=O)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000035133338 173771515 /nfs/dbraw/zinc/77/15/15/173771515.db2.gz HZURGLNHYMLOLV-DDHJBXDOSA-N 1 0 227.348 2.210 10 0 BEAERO COC(=O)[C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC000042207160 173772480 /nfs/dbraw/zinc/77/24/80/173772480.db2.gz USLIGEZZVFZBPW-VXGBXAGGSA-N 1 0 235.327 2.455 10 0 BEAERO COC1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000052045473 174025228 /nfs/dbraw/zinc/02/52/28/174025228.db2.gz OUFCZVOISBXNDZ-UHFFFAOYSA-N 1 0 233.315 2.144 10 0 BEAERO COC1CCN([C@@H](C)C[NH2+]CCC(C)C)CC1 ZINC000053490629 174031048 /nfs/dbraw/zinc/03/10/48/174031048.db2.gz NTCIWTVRXQTILO-ZDUSSCGKSA-N 1 0 242.407 2.121 10 0 BEAERO COC1CCN([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000053490640 174031194 /nfs/dbraw/zinc/03/11/94/174031194.db2.gz SULYHJVVWZQBNP-LBPRGKRZSA-N 1 0 240.391 2.018 10 0 BEAERO COC1CC[NH+]([C@]2(CN)CCC[C@@H](C)C2)CC1 ZINC000037265981 174031923 /nfs/dbraw/zinc/03/19/23/174031923.db2.gz BKRRVUJICLAIMI-TZMCWYRMSA-N 1 0 240.391 2.005 10 0 BEAERO COCC(C)(C)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341489139 174072703 /nfs/dbraw/zinc/07/27/03/174072703.db2.gz QXBJYJSFYBSGPS-CLLJXQQHSA-N 1 0 243.391 2.452 10 0 BEAERO COCCCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000309962356 174184751 /nfs/dbraw/zinc/18/47/51/174184751.db2.gz LWSMTCUFCCOKLU-LLVKDONJSA-N 1 0 226.320 2.450 10 0 BEAERO COCCCCNc1ccnc(C2CC2)n1 ZINC000110213918 174204826 /nfs/dbraw/zinc/20/48/26/174204826.db2.gz BESUMVPILOQWNB-UHFFFAOYSA-N 1 0 221.304 2.193 10 0 BEAERO COCCC[NH2+]CCN(C)[C@H]1CCCC[C@H]1C ZINC000053439024 174247206 /nfs/dbraw/zinc/24/72/06/174247206.db2.gz QUVNCWCYDVFQFP-KGLIPLIRSA-N 1 0 242.407 2.123 10 0 BEAERO COCCC[NH2+]CCn1ccc2ccccc21 ZINC000053524388 174247589 /nfs/dbraw/zinc/24/75/89/174247589.db2.gz VRFSCHVIIDIUQA-UHFFFAOYSA-N 1 0 232.327 2.267 10 0 BEAERO COCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336670949 174250511 /nfs/dbraw/zinc/25/05/11/174250511.db2.gz YPBIYACSDFHXBB-GHMZBOCLSA-N 1 0 203.301 2.141 10 0 BEAERO COCCCOC[C@@H]([NH3+])c1ccc(C)cc1C ZINC000037747225 174254753 /nfs/dbraw/zinc/25/47/53/174254753.db2.gz DSFHVRNHEUDZIT-CQSZACIVSA-N 1 0 237.343 2.356 10 0 BEAERO COCCCO[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042942600 174255808 /nfs/dbraw/zinc/25/58/08/174255808.db2.gz UGMZIGCFPLPUFP-GXFFZTMASA-N 1 0 241.306 2.267 10 0 BEAERO COCCCO[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042911671 174256155 /nfs/dbraw/zinc/25/61/55/174256155.db2.gz JDDGIXHQNWIJEC-OCCSQVGLSA-N 1 0 237.343 2.436 10 0 BEAERO COCC[N@H+](C)CCCC(=O)c1ccccc1 ZINC000042459807 174275343 /nfs/dbraw/zinc/27/53/43/174275343.db2.gz CMLVVSURMWTRLF-UHFFFAOYSA-N 1 0 235.327 2.228 10 0 BEAERO COCCN([C@@H](C)C[NH2+]C1CCCC1)C1CC1 ZINC000053496553 174285210 /nfs/dbraw/zinc/28/52/10/174285210.db2.gz VKAFYYQDMSDQAZ-LBPRGKRZSA-N 1 0 240.391 2.018 10 0 BEAERO COCCN([C@H](C[NH2+]C(C)C)C(C)C)C1CC1 ZINC000052542336 174285330 /nfs/dbraw/zinc/28/53/30/174285330.db2.gz WDSXQZRYCUAXEO-CQSZACIVSA-N 1 0 242.407 2.120 10 0 BEAERO COCCN1CC[N@H+](CCC(C)(C)C)C[C@H]1C ZINC000112697821 174310261 /nfs/dbraw/zinc/31/02/61/174310261.db2.gz VVOKTFQJSJTZEG-CYBMUJFWSA-N 1 0 242.407 2.075 10 0 BEAERO COCCNC1=[NH+][C@]2(CS1)CCC[C@H](C)C2 ZINC000053098588 174330657 /nfs/dbraw/zinc/33/06/57/174330657.db2.gz YRHJNJSCQNSKQZ-CMPLNLGQSA-N 1 0 242.388 2.274 10 0 BEAERO COCC[NH2+]C[C@]1(CC2CCCC2)CCOC1 ZINC000054666500 174334741 /nfs/dbraw/zinc/33/47/41/174334741.db2.gz SLTRUAJIBBYFGL-CQSZACIVSA-N 1 0 241.375 2.209 10 0 BEAERO COCC[NH2+][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000058055265 174339532 /nfs/dbraw/zinc/33/95/32/174339532.db2.gz WQKHKMBKOCINKG-WZRBSPASSA-N 1 0 211.349 2.437 10 0 BEAERO COCC[NH2+][C@H](c1nc(C)c(C)s1)C1CC1 ZINC000045205780 174340158 /nfs/dbraw/zinc/34/01/58/174340158.db2.gz GRDLRMHWIIIKLU-NSHDSACASA-N 1 0 240.372 2.447 10 0 BEAERO COCCOCc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052628375 174364266 /nfs/dbraw/zinc/36/42/66/174364266.db2.gz IFEMDJRVYYJYEV-UHFFFAOYSA-N 1 0 241.331 2.249 10 0 BEAERO COCCOc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629251 174367772 /nfs/dbraw/zinc/36/77/72/174367772.db2.gz HZQKMRONHMQIAM-JTQLQIEISA-N 1 0 209.289 2.040 10 0 BEAERO COCCOc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000041251994 174368880 /nfs/dbraw/zinc/36/88/80/174368880.db2.gz RXBVIHGDVVJXSC-MRVPVSSYSA-N 1 0 229.707 2.385 10 0 BEAERO COCCOc1ccc2ccccc2c1CC[NH3+] ZINC000037721530 174369916 /nfs/dbraw/zinc/36/99/16/174369916.db2.gz LYBMYGVIVXWIHA-UHFFFAOYSA-N 1 0 245.322 2.366 10 0 BEAERO COCC[C@@H](C)Cc1cc(C)cc(N)[nH+]1 ZINC000040917028 174377096 /nfs/dbraw/zinc/37/70/96/174377096.db2.gz VQQIZVJSKCUKHT-SECBINFHSA-N 1 0 208.305 2.187 10 0 BEAERO COCC[C@@](C)([NH3+])c1cc(F)ccc1F ZINC000055242826 174399753 /nfs/dbraw/zinc/39/97/53/174399753.db2.gz KFJVBDXOVCVHJQ-LLVKDONJSA-N 1 0 215.243 2.175 10 0 BEAERO COCC[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000124700109 174406638 /nfs/dbraw/zinc/40/66/38/174406638.db2.gz KWOSZNMADUODDM-XQQFMLRXSA-N 1 0 229.364 2.062 10 0 BEAERO COC[C@@H](C[NH2+][C@@H](C)c1cc(C)oc1C)OC ZINC000219297629 174472875 /nfs/dbraw/zinc/47/28/75/174472875.db2.gz VCMHNHSAABGLOY-CMPLNLGQSA-N 1 0 241.331 2.208 10 0 BEAERO COC[C@@](C)([NH3+])Cc1ccc(C)c(C)c1 ZINC000053173628 174522125 /nfs/dbraw/zinc/52/21/25/174522125.db2.gz WGSRSYJUZCHONA-ZDUSSCGKSA-N 1 0 207.317 2.210 10 0 BEAERO COC[C@H](C)n1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000041728318 174560436 /nfs/dbraw/zinc/56/04/36/174560436.db2.gz HBQRSCXAGVCTGK-JQWIXIFHSA-N 1 0 222.332 2.340 10 0 BEAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1C ZINC000120483327 174572676 /nfs/dbraw/zinc/57/26/76/174572676.db2.gz KHMNRXIROOCSOZ-KWCYVHTRSA-N 1 0 219.328 2.242 10 0 BEAERO COCc1ccc(C[NH2+]CC2CC2)s1 ZINC000083250609 174624559 /nfs/dbraw/zinc/62/45/59/174624559.db2.gz RWWXZRNSJLUIEV-UHFFFAOYSA-N 1 0 211.330 2.394 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000049948848 174750471 /nfs/dbraw/zinc/75/04/71/174750471.db2.gz PTZILLJBNQEQCG-WDEREUQCSA-N 1 0 215.362 2.039 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000122581067 174849663 /nfs/dbraw/zinc/84/96/63/174849663.db2.gz UXQKSRPBQMKHOO-QNWHQSFQSA-N 1 0 229.364 2.061 10 0 BEAERO CO[C@H](c1cccs1)C1CC[NH2+]CC1 ZINC000011630803 174872818 /nfs/dbraw/zinc/87/28/18/174872818.db2.gz HAXGXCQQEQMJTO-NSHDSACASA-N 1 0 211.330 2.435 10 0 BEAERO CO[C@H]1C[NH2+][C@@H](c2nc3ccc(C)cc3o2)C1 ZINC000035279064 174899568 /nfs/dbraw/zinc/89/95/68/174899568.db2.gz XDYIROJUOIYUKV-MWLCHTKSSA-N 1 0 232.283 2.186 10 0 BEAERO CO[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C12CCC2 ZINC000334519520 174905883 /nfs/dbraw/zinc/90/58/83/174905883.db2.gz KFNLTKQQWOXWGF-YECOWLKZSA-N 1 0 227.323 2.424 10 0 BEAERO COc1cc(C(N)=[NH2+])ccc1OCC(C)C ZINC000019472556 174943465 /nfs/dbraw/zinc/94/34/65/174943465.db2.gz MYBNLIFOBAUTOV-UHFFFAOYSA-N 1 0 222.288 2.014 10 0 BEAERO COc1cc(C)ccc1OCCCC[NH3+] ZINC000019399338 174969335 /nfs/dbraw/zinc/96/93/35/174969335.db2.gz HDLDJLCVGHPODR-UHFFFAOYSA-N 1 0 209.289 2.121 10 0 BEAERO COc1cc(NC[C@@H]2CCCC[N@@H+]2C)ccc1N ZINC000104249277 175002390 /nfs/dbraw/zinc/00/23/90/175002390.db2.gz DBJIBQUIVFWVQW-LBPRGKRZSA-N 1 0 249.358 2.174 10 0 BEAERO COc1cc(OC)c([C@H](C)CC[NH3+])cc1OC ZINC000096889207 175007948 /nfs/dbraw/zinc/00/79/48/175007948.db2.gz QPCJZWZCYKUIAY-SECBINFHSA-N 1 0 239.315 2.165 10 0 BEAERO COc1cc(OC)c2c(c1)[C@@H]([NH3+])CCC2 ZINC000019727402 175008385 /nfs/dbraw/zinc/00/83/85/175008385.db2.gz OSSZAXSQRNLPJH-NSHDSACASA-N 1 0 207.273 2.040 10 0 BEAERO COc1cc(OC)cc(OC(C)(C)CC[NH3+])c1 ZINC000041282151 175009987 /nfs/dbraw/zinc/00/99/87/175009987.db2.gz NLICKNMMJUFUOK-UHFFFAOYSA-N 1 0 239.315 2.210 10 0 BEAERO COc1cc(OC)cc([C@H]2CCC[NH2+]2)c1 ZINC000003732235 175011488 /nfs/dbraw/zinc/01/14/88/175011488.db2.gz SCIDTXFHJJWWTD-GFCCVEGCSA-N 1 0 207.273 2.128 10 0 BEAERO COc1cc([C@@H]2C[C@@H](C)C[NH2+]2)cc(OC)c1O ZINC000003705269 175014911 /nfs/dbraw/zinc/01/49/11/175014911.db2.gz IOQHMIKLQUQPKU-SCZZXKLOSA-N 1 0 237.299 2.080 10 0 BEAERO COc1cc([C@H](C)[NH2+][C@@H](C)CCO)ccc1F ZINC000124022645 175015755 /nfs/dbraw/zinc/01/57/55/175015755.db2.gz IEBFSFQMOKVPMW-UWVGGRQHSA-N 1 0 241.306 2.256 10 0 BEAERO COc1cc([C@H](C)[NH2+]C(C)C)ccc1O ZINC000019880806 175015762 /nfs/dbraw/zinc/01/57/62/175015762.db2.gz PUBALBZUOGQAKO-VIFPVBQESA-N 1 0 209.289 2.460 10 0 BEAERO COc1cc2c(c(OC)c1)[C@@H](C1CC1)[NH2+]CC2 ZINC000052095650 175020695 /nfs/dbraw/zinc/02/06/95/175020695.db2.gz QOQLYRQKDQSEAX-CQSZACIVSA-N 1 0 233.311 2.301 10 0 BEAERO COc1cc2c(cc1OC)[C@@H](CC[NH3+])CC2 ZINC000038284107 175025498 /nfs/dbraw/zinc/02/54/98/175025498.db2.gz VOMBADHZSODWPJ-SECBINFHSA-N 1 0 221.300 2.082 10 0 BEAERO COc1ccc(-c2ncc(C[NH3+])s2)cc1 ZINC000011760589 175040911 /nfs/dbraw/zinc/04/09/11/175040911.db2.gz UVUNPTUFONUBNC-UHFFFAOYSA-N 1 0 220.297 2.277 10 0 BEAERO COc1ccc(-n2ncc(C[NH3+])c2C(C)C)cc1 ZINC000071560001 175044667 /nfs/dbraw/zinc/04/46/67/175044667.db2.gz NFXVATDSQBSJPK-UHFFFAOYSA-N 1 0 245.326 2.463 10 0 BEAERO COc1ccc(-n2ncc3c2CCC[C@H]3[NH3+])cc1 ZINC000066055223 175044685 /nfs/dbraw/zinc/04/46/85/175044685.db2.gz AHVNFUAAVVNUGD-CYBMUJFWSA-N 1 0 243.310 2.217 10 0 BEAERO COc1ccc(/C(C)=C/C[NH3+])cc1OC ZINC000069049612 175045981 /nfs/dbraw/zinc/04/59/81/175045981.db2.gz XGEBWMKUVLZSHJ-RMKNXTFCSA-N 1 0 207.273 2.066 10 0 BEAERO COc1ccc(/C=C/CCC[NH3+])cc1NC(C)=O ZINC000096890567 175047089 /nfs/dbraw/zinc/04/70/89/175047089.db2.gz XUQZKEYYZRLJJW-GQCTYLIASA-N 1 0 248.326 2.406 10 0 BEAERO COc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000003705505 175051395 /nfs/dbraw/zinc/05/13/95/175051395.db2.gz RLQGTCFNDMNKTC-ZCFIWIBFSA-N 1 0 230.105 2.477 10 0 BEAERO COc1ccc(C(N)=[NH2+])nc1-c1ccccc1 ZINC000071186731 175051847 /nfs/dbraw/zinc/05/18/47/175051847.db2.gz KAAKHFSSKOIJOP-UHFFFAOYSA-N 1 0 227.267 2.041 10 0 BEAERO COc1ccc(C(=O)CC[NH2+]C(C)C)cc1 ZINC000049818359 175053448 /nfs/dbraw/zinc/05/34/48/175053448.db2.gz HGMSHGADRVODCT-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO COc1ccc(C(=O)[C@H]2CCCC[NH2+]2)cc1OC ZINC000058327603 175066046 /nfs/dbraw/zinc/06/60/46/175066046.db2.gz VVKBXCCBWKNIOH-LLVKDONJSA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(C(C)(C)CC[NH3+])c(OC)c1 ZINC000041242765 175068017 /nfs/dbraw/zinc/06/80/17/175068017.db2.gz WWHSTSDYNRWGGO-UHFFFAOYSA-N 1 0 223.316 2.330 10 0 BEAERO COc1ccc(C(C)C)cc1C[C@H](O)CC[NH3+] ZINC000041278992 175069159 /nfs/dbraw/zinc/06/91/59/175069159.db2.gz VFAJNFIKTKBPDL-CYBMUJFWSA-N 1 0 237.343 2.071 10 0 BEAERO COc1ccc(C(C)C)cc1C[NH2+][C@H](C)CO ZINC000098126253 175069284 /nfs/dbraw/zinc/06/92/84/175069284.db2.gz NBZRIVBITQINBF-LLVKDONJSA-N 1 0 237.343 2.289 10 0 BEAERO COc1ccc(C(C)C)cc1C[NH2+][C@@H](C)CO ZINC000098126252 175069476 /nfs/dbraw/zinc/06/94/76/175069476.db2.gz NBZRIVBITQINBF-NSHDSACASA-N 1 0 237.343 2.289 10 0 BEAERO COc1ccc(C)c2sc(C[NH3+])nc21 ZINC000031894629 175071714 /nfs/dbraw/zinc/07/17/14/175071714.db2.gz UPMNRBUSZHMAIY-UHFFFAOYSA-N 1 0 208.286 2.072 10 0 BEAERO COc1ccc(C)cc1-c1cnc(CC[NH3+])o1 ZINC000011587018 175072299 /nfs/dbraw/zinc/07/22/99/175072299.db2.gz PZSPNUGMNIBQQX-UHFFFAOYSA-N 1 0 232.283 2.160 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000335362759 175074491 /nfs/dbraw/zinc/07/44/91/175074491.db2.gz ZIPCFEMVAXTCPV-JSGCOSHPSA-N 1 0 249.354 2.349 10 0 BEAERO COc1ccc(C)cc1C[C@@H]1CSC[C@H]1[NH3+] ZINC000098092348 175076962 /nfs/dbraw/zinc/07/69/62/175076962.db2.gz YGHAUYYGVOCDFM-VXGBXAGGSA-N 1 0 237.368 2.236 10 0 BEAERO COc1ccc(C)cc1N[C@H]1CC[N@H+](C)C1 ZINC000061984612 175078172 /nfs/dbraw/zinc/07/81/72/175078172.db2.gz GPDWXCOYVKNZON-NSHDSACASA-N 1 0 220.316 2.120 10 0 BEAERO COc1ccc(C)cc1[C@H](O)CC[NH2+]C(C)C ZINC000049828955 175081954 /nfs/dbraw/zinc/08/19/54/175081954.db2.gz PCELMVFRUQHSCO-CYBMUJFWSA-N 1 0 237.343 2.425 10 0 BEAERO COc1ccc(C2(C)CC[NH2+]CC2)c(OC)c1 ZINC000057526201 175083097 /nfs/dbraw/zinc/08/30/97/175083097.db2.gz CWBXTPGBGYUYQY-UHFFFAOYSA-N 1 0 235.327 2.345 10 0 BEAERO COc1ccc(CC[NH2+]C2CC2)c(OC)c1C ZINC000098125990 175091452 /nfs/dbraw/zinc/09/14/52/175091452.db2.gz ZRBSXKJGKIJALW-UHFFFAOYSA-N 1 0 235.327 2.307 10 0 BEAERO COc1ccc(C[NH3+])c(C(F)(F)F)c1OC ZINC000083106987 175097773 /nfs/dbraw/zinc/09/77/73/175097773.db2.gz JYFPTNZEXBIFLV-UHFFFAOYSA-N 1 0 235.205 2.181 10 0 BEAERO COc1ccc(C[NH2+]C[C@@H](C)O)cc1C(C)C ZINC000098126243 175107167 /nfs/dbraw/zinc/10/71/67/175107167.db2.gz VMYFTJPCKXWJRI-LLVKDONJSA-N 1 0 237.343 2.289 10 0 BEAERO COc1ccc(COCC[NH3+])cc1C(C)(C)C ZINC000077374357 175113770 /nfs/dbraw/zinc/11/37/70/175113770.db2.gz YXXCSWXVMKXQJF-UHFFFAOYSA-N 1 0 237.343 2.468 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])c2cncc(F)c2)cc1 ZINC000049576514 175115916 /nfs/dbraw/zinc/11/59/16/175115916.db2.gz XILIZNYJZLPNPL-CQSZACIVSA-N 1 0 246.285 2.472 10 0 BEAERO COc1ccc(C[C@@](C)(CN)[NH+]2CCCC2)cc1 ZINC000070139743 175116400 /nfs/dbraw/zinc/11/64/00/175116400.db2.gz SQIICCZLOPAYAR-HNNXBMFYSA-N 1 0 248.370 2.051 10 0 BEAERO COc1ccc(C[C@H](C[NH3+])C(C)C)cc1OC ZINC000041278935 175116986 /nfs/dbraw/zinc/11/69/86/175116986.db2.gz LUIJJKVLNOKQNS-GFCCVEGCSA-N 1 0 237.343 2.477 10 0 BEAERO COc1ccc(C[C@H]([NH3+])C2CC2)cc1F ZINC000053818974 175117328 /nfs/dbraw/zinc/11/73/28/175117328.db2.gz ZWAZHKNJEUVMFR-NSHDSACASA-N 1 0 209.264 2.114 10 0 BEAERO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[NH2+]1 ZINC000036164269 175120794 /nfs/dbraw/zinc/12/07/94/175120794.db2.gz DLVKBXDKLPNTMN-JTQLQIEISA-N 1 0 239.702 2.283 10 0 BEAERO COc1ccc(Cl)cc1[C@H](O)C[NH2+]C1CC1 ZINC000049830782 175123134 /nfs/dbraw/zinc/12/31/34/175123134.db2.gz OEHQWTMFCOTWJF-LLVKDONJSA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc(F)cc1[C@@H]1CC[C@H]([NH3+])C1 ZINC000077303190 175133801 /nfs/dbraw/zinc/13/38/01/175133801.db2.gz SHLAHWHQAJKNAX-SCZZXKLOSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037622727 175140897 /nfs/dbraw/zinc/14/08/97/175140897.db2.gz OGLPSZZKCAJUIX-UHFFFAOYSA-N 1 0 248.326 2.151 10 0 BEAERO COc1ccc(NC(C)=O)cc1/C=C/CCC[NH3+] ZINC000096890688 175148565 /nfs/dbraw/zinc/14/85/65/175148565.db2.gz OZDPGASXERIZAS-GQCTYLIASA-N 1 0 248.326 2.406 10 0 BEAERO COc1ccc(NC2=[NH+]CCC2)c(OC)c1 ZINC000003866606 175149712 /nfs/dbraw/zinc/14/97/12/175149712.db2.gz OZXQFBOEAJSEFN-UHFFFAOYSA-N 1 0 220.272 2.308 10 0 BEAERO COc1ccc(NCc2c[nH]c(C)n2)cc1OC ZINC000054797918 175151615 /nfs/dbraw/zinc/15/16/15/175151615.db2.gz IBLTVHIMPKLXMY-UHFFFAOYSA-N 1 0 247.298 2.347 10 0 BEAERO COc1ccc(NCc2c[nH]c(C)n2)c(OC)c1 ZINC000054797794 175151767 /nfs/dbraw/zinc/15/17/67/175151767.db2.gz CDGCLVOAPANKKO-UHFFFAOYSA-N 1 0 247.298 2.347 10 0 BEAERO COc1ccc(NC[C@H]2CCOC2)c(C)c1 ZINC000061565817 175151980 /nfs/dbraw/zinc/15/19/80/175151980.db2.gz QWNRXMCJNCSXOI-LLVKDONJSA-N 1 0 221.300 2.452 10 0 BEAERO COc1ccc(N[C@@H]2CCC[NH2+]C2)cc1C ZINC000043327618 175153897 /nfs/dbraw/zinc/15/38/97/175153897.db2.gz OTWVULPMIFQMJQ-GFCCVEGCSA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(N[C@H](C[NH3+])c2ccco2)cc1 ZINC000057520336 175155568 /nfs/dbraw/zinc/15/55/68/175155568.db2.gz HOEAJYSWQYYVPF-GFCCVEGCSA-N 1 0 232.283 2.400 10 0 BEAERO COc1ccc(Nc2cc[nH+]cc2N)c(OC)c1 ZINC000020584797 175156520 /nfs/dbraw/zinc/15/65/20/175156520.db2.gz HIZWRZRAOVEHHN-UHFFFAOYSA-N 1 0 245.282 2.425 10 0 BEAERO COc1ccc(OC)c(C2([NH3+])CCCC2)c1 ZINC000055234431 175164200 /nfs/dbraw/zinc/16/42/00/175164200.db2.gz FPVMWZGXQFGVJX-UHFFFAOYSA-N 1 0 221.300 2.432 10 0 BEAERO COc1ccc(OC)c(C2(C)CC[NH2+]CC2)c1 ZINC000057526157 175164868 /nfs/dbraw/zinc/16/48/68/175164868.db2.gz SUBGITWQOVPPTL-UHFFFAOYSA-N 1 0 235.327 2.345 10 0 BEAERO COc1ccc(OC)c(C[C@H](C[NH3+])C2CC2)c1 ZINC000041266206 175166295 /nfs/dbraw/zinc/16/62/95/175166295.db2.gz MIZMSYJLCHTWSA-GFCCVEGCSA-N 1 0 235.327 2.231 10 0 BEAERO COc1ccc(OC)c(C[C@H](C[NH3+])C(C)C)c1 ZINC000041278958 175166575 /nfs/dbraw/zinc/16/65/75/175166575.db2.gz BXYZZILIZWBRIK-GFCCVEGCSA-N 1 0 237.343 2.477 10 0 BEAERO COc1ccc(OC)c([C@@H](C)[C@@H](C)[NH3+])c1 ZINC000082375995 175167332 /nfs/dbraw/zinc/16/73/32/175167332.db2.gz MQFAKKHLHSSWIH-DTWKUNHWSA-N 1 0 209.289 2.155 10 0 BEAERO COc1ccc(OC)c([C@@H](C)CC[NH3+])c1 ZINC000011629522 175167502 /nfs/dbraw/zinc/16/75/02/175167502.db2.gz BPJVEDHDRFZPSZ-VIFPVBQESA-N 1 0 209.289 2.156 10 0 BEAERO COc1ccc(OC)c2c1CC[C@H]1[NH2+]CCC[C@H]21 ZINC000029224126 175170643 /nfs/dbraw/zinc/17/06/43/175170643.db2.gz KZNMPLOCPFLSKP-CMPLNLGQSA-N 1 0 247.338 2.486 10 0 BEAERO COc1ccc(OC)c2c1ccn2CCC[NH3+] ZINC000059731517 175171397 /nfs/dbraw/zinc/17/13/97/175171397.db2.gz WEFLVLGDFYQYBH-UHFFFAOYSA-N 1 0 234.299 2.007 10 0 BEAERO COc1ccc(Oc2ncccc2C(N)=[NH2+])cc1 ZINC000019434833 175174125 /nfs/dbraw/zinc/17/41/25/175174125.db2.gz CDSNQFXWOWEZGW-UHFFFAOYSA-N 1 0 243.266 2.167 10 0 BEAERO COc1ccc(SCCC(N)=[NH2+])cc1 ZINC000019863375 175175116 /nfs/dbraw/zinc/17/51/16/175175116.db2.gz SHCZNJXRZJNFTD-UHFFFAOYSA-N 1 0 210.302 2.113 10 0 BEAERO COc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2)cc1F ZINC000038005943 175176679 /nfs/dbraw/zinc/17/66/79/175176679.db2.gz PEYNTIGMELZFMK-SECBINFHSA-N 1 0 249.289 2.408 10 0 BEAERO COc1ccc([C@@H](C)[NH2+]Cc2cncnc2)cc1 ZINC000083371615 175177335 /nfs/dbraw/zinc/17/73/35/175177335.db2.gz XZLXPEOLRWZYNK-LLVKDONJSA-N 1 0 243.310 2.336 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccc[nH]2)cc1 ZINC000011848738 175180214 /nfs/dbraw/zinc/18/02/14/175180214.db2.gz VCESYOUEWJYREN-GFCCVEGCSA-N 1 0 202.257 2.071 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccco2)cc1 ZINC000035379614 175180216 /nfs/dbraw/zinc/18/02/16/175180216.db2.gz DNNAXLMASPIHDI-GFCCVEGCSA-N 1 0 203.241 2.336 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccncc2)cc1OC ZINC000011737343 175180268 /nfs/dbraw/zinc/18/02/68/175180268.db2.gz MSDBLILGAMPUIT-AWEZNQCLSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccoc2)cc1 ZINC000035379616 175180297 /nfs/dbraw/zinc/18/02/97/175180297.db2.gz CVSQIUMXTUMYGT-GFCCVEGCSA-N 1 0 203.241 2.336 10 0 BEAERO COc1ccc([C@@H](O)C[NH2+]C(C)C)cc1Cl ZINC000049831570 175180533 /nfs/dbraw/zinc/18/05/33/175180533.db2.gz CRADBRHXFXXGQZ-NSHDSACASA-N 1 0 243.734 2.380 10 0 BEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1Cl ZINC000071558210 175181187 /nfs/dbraw/zinc/18/11/87/175181187.db2.gz JQZUCUYIOLSSHO-NWDGAFQWSA-N 1 0 243.734 2.365 10 0 BEAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000071551010 175181264 /nfs/dbraw/zinc/18/12/64/175181264.db2.gz ORLFFLHMZZPACM-NWDGAFQWSA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CC(C)C)cc1C ZINC000033466274 175181358 /nfs/dbraw/zinc/18/13/58/175181358.db2.gz GEGBNEYSIHNNIN-GXTWGEPZSA-N 1 0 237.343 2.410 10 0 BEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])n2ccnc2C)cc1 ZINC000042962251 175181944 /nfs/dbraw/zinc/18/19/44/175181944.db2.gz WFAXUOJDAOAUIG-QMTHXVAHSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccc([C@@H]2C[N@@H+](C(C)C)CCN2)cc1 ZINC000077369933 175183420 /nfs/dbraw/zinc/18/34/20/175183420.db2.gz ZMWMSZIGRQBQHB-AWEZNQCLSA-N 1 0 234.343 2.050 10 0 BEAERO COc1ccc([C@H]([NH3+])C2CC2)cc1OC ZINC000003739204 175191133 /nfs/dbraw/zinc/19/11/33/175191133.db2.gz DEBZSUSMSYKLMT-GFCCVEGCSA-N 1 0 207.273 2.114 10 0 BEAERO COc1ccc([C@H]([NH3+])c2ccco2)cc1 ZINC000035379613 175192584 /nfs/dbraw/zinc/19/25/84/175192584.db2.gz DNNAXLMASPIHDI-LBPRGKRZSA-N 1 0 203.241 2.336 10 0 BEAERO COc1ccc([C@H]([NH3+])c2cccnc2)c(C)c1 ZINC000019972440 175192758 /nfs/dbraw/zinc/19/27/58/175192758.db2.gz JWHZPOFAOZEESF-CQSZACIVSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc([C@H](O)C[N@H+](C)CC2CC2)cc1 ZINC000042248116 175193457 /nfs/dbraw/zinc/19/34/57/175193457.db2.gz UYMVSOQRAZWTNE-CQSZACIVSA-N 1 0 235.327 2.070 10 0 BEAERO COc1ccc([C@H]2CCC[C@H]2[NH3+])cc1F ZINC000055265149 175194876 /nfs/dbraw/zinc/19/48/76/175194876.db2.gz FMDFDURZUMEMHS-MWLCHTKSSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc([C@H]2CC[NH2+][C@H]2C)cc1C ZINC000051953804 175195294 /nfs/dbraw/zinc/19/52/94/175195294.db2.gz QHUPWZXGAOLFJA-JQWIXIFHSA-N 1 0 205.301 2.469 10 0 BEAERO COc1ccc([C@H]2C[NH2+][C@H](C)C2)cc1OC ZINC000070586824 175196646 /nfs/dbraw/zinc/19/66/46/175196646.db2.gz MXUAFHLBUPMWPY-MWLCHTKSSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H]2C[C@H]2[NH3+])cc1OC(F)F ZINC000037381366 175197534 /nfs/dbraw/zinc/19/75/34/175197534.db2.gz OMMNCTPRPUKSEQ-HTQZYQBOSA-N 1 0 229.226 2.111 10 0 BEAERO COc1ccc([C@H]2[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000003733556 175198594 /nfs/dbraw/zinc/19/85/94/175198594.db2.gz BORQHNYEIKZWJK-ZANVPECISA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc2[nH]cc(SCC[NH3+])c2c1 ZINC000039392405 175202651 /nfs/dbraw/zinc/20/26/51/175202651.db2.gz DGXORTSKCZBZRZ-UHFFFAOYSA-N 1 0 222.313 2.227 10 0 BEAERO COc1ccc2[nH]cc(CC[C@@H](C)[NH3+])c2c1 ZINC000020269400 175202899 /nfs/dbraw/zinc/20/28/99/175202899.db2.gz AQFAYBAYLOSSTJ-SECBINFHSA-N 1 0 218.300 2.456 10 0 BEAERO COc1ccc2c(c1)[C@@H](C1CC1)[NH2+]CC2 ZINC000011598347 175213265 /nfs/dbraw/zinc/21/32/65/175213265.db2.gz DRWRBRIARXODTL-CYBMUJFWSA-N 1 0 203.285 2.292 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH2+]C(C)C)CO2 ZINC000035652801 175214394 /nfs/dbraw/zinc/21/43/94/175214394.db2.gz YQZVOJIUYPZCRL-NSHDSACASA-N 1 0 207.273 2.127 10 0 BEAERO COc1ccc2c(c1)nc([C@H]1CCCC[NH2+]1)n2C ZINC000075869226 175219714 /nfs/dbraw/zinc/21/97/14/175219714.db2.gz AKKBPEHLGIVLQA-LLVKDONJSA-N 1 0 245.326 2.397 10 0 BEAERO COc1ccc2c(c1OC)CC[NH2+][C@H]2C1CC1 ZINC000052095634 175222301 /nfs/dbraw/zinc/22/23/01/175222301.db2.gz KFBGZVKQSZDDLZ-ZDUSSCGKSA-N 1 0 233.311 2.301 10 0 BEAERO COc1ccc2occ(C[C@@H](C)[NH3+])c2c1 ZINC000013650621 175232441 /nfs/dbraw/zinc/23/24/41/175232441.db2.gz PMAFEFSQHHKAKM-MRVPVSSYSA-N 1 0 205.257 2.331 10 0 BEAERO COc1cccc(-c2nc([C@H](C)[NH3+])c[nH]2)c1OC ZINC000082517116 175236576 /nfs/dbraw/zinc/23/65/76/175236576.db2.gz LJIIEIJFZKRJFI-QMMMGPOBSA-N 1 0 247.298 2.114 10 0 BEAERO COc1cccc(-c2nnc([C@@H](C)[NH3+])s2)c1 ZINC000083335429 175237747 /nfs/dbraw/zinc/23/77/47/175237747.db2.gz QRQDUPDXLDOLEY-SSDOTTSWSA-N 1 0 235.312 2.233 10 0 BEAERO COc1cccc(-c2noc3c2C[N@H+](C)CC3)c1 ZINC000012591318 175238289 /nfs/dbraw/zinc/23/82/89/175238289.db2.gz JRXMPVOMHRYKOX-UHFFFAOYSA-N 1 0 244.294 2.338 10 0 BEAERO COc1cccc(C(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000077328338 175247417 /nfs/dbraw/zinc/24/74/17/175247417.db2.gz NZEIXVJRHQTEFF-VIFPVBQESA-N 1 0 219.284 2.018 10 0 BEAERO COc1cccc(C2(C(C)=O)CC[NH+](C)CC2)c1 ZINC000071561811 175248474 /nfs/dbraw/zinc/24/84/74/175248474.db2.gz VNKOMIQGFQLSQT-UHFFFAOYSA-N 1 0 247.338 2.248 10 0 BEAERO COc1cccc(C=C2CC[NH2+]CC2)c1 ZINC000075772350 175248788 /nfs/dbraw/zinc/24/87/88/175248788.db2.gz VKTTUWOYAYRJDX-UHFFFAOYSA-N 1 0 203.285 2.462 10 0 BEAERO COc1cccc(CC[NH2+]C2CCC(O)CC2)c1 ZINC000235001293 175252338 /nfs/dbraw/zinc/25/23/38/175252338.db2.gz FEBAGKCISLLNPV-UHFFFAOYSA-N 1 0 249.354 2.131 10 0 BEAERO COc1cccc(CCn2cccc2CC[NH3+])c1 ZINC000071559149 175254015 /nfs/dbraw/zinc/25/40/15/175254015.db2.gz AGXIVOJCXYPTLH-UHFFFAOYSA-N 1 0 244.338 2.241 10 0 BEAERO COc1cccc(CN(C)CC[NH2+]C(C)C)c1 ZINC000042307967 175254394 /nfs/dbraw/zinc/25/43/94/175254394.db2.gz FROPWXSZDVQHGL-UHFFFAOYSA-N 1 0 236.359 2.125 10 0 BEAERO COc1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2O)c1 ZINC000042229853 175255317 /nfs/dbraw/zinc/25/53/17/175255317.db2.gz PAUHBRVYNYUYEQ-KBPBESRZSA-N 1 0 235.327 2.040 10 0 BEAERO COc1cccc(C[NH3+])c1Oc1cc(C)ncn1 ZINC000011849438 175256388 /nfs/dbraw/zinc/25/63/88/175256388.db2.gz OKVQWKADLZGKOK-UHFFFAOYSA-N 1 0 245.282 2.045 10 0 BEAERO COc1cccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000295106496 175258337 /nfs/dbraw/zinc/25/83/37/175258337.db2.gz VOHPPNWFUOTSAT-SMDDNHRTSA-N 1 0 235.327 2.040 10 0 BEAERO COc1cccc(CN2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261551959 175259559 /nfs/dbraw/zinc/25/95/59/175259559.db2.gz ZFGDCWQLGNSFSP-JSGCOSHPSA-N 1 0 248.370 2.254 10 0 BEAERO COc1cccc(CNC2=[NH+][C@@H](C)CS2)c1 ZINC000038078037 175263797 /nfs/dbraw/zinc/26/37/97/175263797.db2.gz OOGJCSJSDASYHU-VIFPVBQESA-N 1 0 236.340 2.276 10 0 BEAERO COc1cccc(N(C)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000049969194 175275651 /nfs/dbraw/zinc/27/56/51/175275651.db2.gz WRIPZCJOWNOOET-QWHCGFSZSA-N 1 0 220.316 2.011 10 0 BEAERO COc1cccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000019428976 175277055 /nfs/dbraw/zinc/27/70/55/175277055.db2.gz GBECEXPNPZBRNT-QWRGUYRKSA-N 1 0 248.326 2.022 10 0 BEAERO COc1cccc(OC(C)(C)CC[NH3+])c1OC ZINC000041282121 175281122 /nfs/dbraw/zinc/28/11/22/175281122.db2.gz KAQGRHJXLFUIMA-UHFFFAOYSA-N 1 0 239.315 2.210 10 0 BEAERO COc1cccc(OCCC[NH2+]C2CC2)c1 ZINC000020525142 175283554 /nfs/dbraw/zinc/28/35/54/175283554.db2.gz XWHJFVYXSGBXBV-UHFFFAOYSA-N 1 0 221.300 2.216 10 0 BEAERO COc1cccc(SC[C@@H]2CC[NH2+]C2)c1 ZINC000051890831 175285977 /nfs/dbraw/zinc/28/59/77/175285977.db2.gz IXWKKBXDKOKDMX-SNVBAGLBSA-N 1 0 223.341 2.397 10 0 BEAERO COc1cccc([C@@H](C)[NH2+]Cc2ccnn2C)c1 ZINC000037771538 175286819 /nfs/dbraw/zinc/28/68/19/175286819.db2.gz CQLIHXZQPNNZJJ-LLVKDONJSA-N 1 0 245.326 2.280 10 0 BEAERO COc1cccc([C@@H]2C[NH2+][C@H](C)C2)c1OC ZINC000070586778 175290792 /nfs/dbraw/zinc/29/07/92/175290792.db2.gz BWWSIXJYNHKROV-ZJUUUORDSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cccc([C@]23C[NH2+][C@H](C2)CCC3)c1 ZINC000033828317 175291397 /nfs/dbraw/zinc/29/13/97/175291397.db2.gz RPACRPKTCVWREU-JSGCOSHPSA-N 1 0 217.312 2.479 10 0 BEAERO COc1cccc([C@H]([NH3+])CN2CCC(C)CC2)c1 ZINC000019821404 175293914 /nfs/dbraw/zinc/29/39/14/175293914.db2.gz VLFULOARYAECEF-OAHLLOKOSA-N 1 0 248.370 2.427 10 0 BEAERO COc1cccc([C@H]([NH3+])C[C@@H]2CCCO2)c1 ZINC000037466666 175294448 /nfs/dbraw/zinc/29/44/48/175294448.db2.gz WDACPBGQPGPWFQ-QWHCGFSZSA-N 1 0 221.300 2.264 10 0 BEAERO COc1cccc([C@H](C[NH3+])N(C)C(C)C)c1 ZINC000022221297 175294557 /nfs/dbraw/zinc/29/45/57/175294557.db2.gz OVTVBGJAWAOEBW-ZDUSSCGKSA-N 1 0 222.332 2.035 10 0 BEAERO COc1cccc([C@H](OCC[NH3+])c2ccco2)c1 ZINC000019676361 175295745 /nfs/dbraw/zinc/29/57/45/175295745.db2.gz WESVPUJVORFCEF-AWEZNQCLSA-N 1 0 247.294 2.353 10 0 BEAERO COc1cccc([C@H]2CC[NH2+][C@@H]2C)c1OC ZINC000051954129 175296116 /nfs/dbraw/zinc/29/61/16/175296116.db2.gz NHHTWTCGUHARLN-ZJUUUORDSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cccc([C@H]2[NH2+]C(C)(C)CO2)c1 ZINC000049813774 175296676 /nfs/dbraw/zinc/29/66/76/175296676.db2.gz NXXHYHWBGBUARG-NSHDSACASA-N 1 0 207.273 2.092 10 0 BEAERO COc1cccc2c1SC[C@@H](C)[C@@H]2[NH3+] ZINC000041030734 175304577 /nfs/dbraw/zinc/30/45/77/175304577.db2.gz AMCIBBNBXJISTB-XCBNKYQSSA-N 1 0 209.314 2.437 10 0 BEAERO COc1ccccc1-c1nc([C@H](C)[NH3+])c[nH]1 ZINC000082517048 175311164 /nfs/dbraw/zinc/31/11/64/175311164.db2.gz PTVCCQUBUZROIA-QMMMGPOBSA-N 1 0 217.272 2.105 10 0 BEAERO COc1ccccc1CCC[NH2+]C1CC1 ZINC000041213767 175322322 /nfs/dbraw/zinc/32/23/22/175322322.db2.gz QFTOMMOKYXHBCR-UHFFFAOYSA-N 1 0 205.301 2.380 10 0 BEAERO COc1ccccc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234874944 175327177 /nfs/dbraw/zinc/32/71/77/175327177.db2.gz WNJCGXLIEFXPBA-TZMCWYRMSA-N 1 0 248.370 2.254 10 0 BEAERO COc1ccccc1CNC1=[NH+][C@@H](C)CS1 ZINC000035294396 175329237 /nfs/dbraw/zinc/32/92/37/175329237.db2.gz GVIUATJDCOTHIT-VIFPVBQESA-N 1 0 236.340 2.276 10 0 BEAERO COc1ccccc1C[C@@](C)(C[NH3+])N1CCCC1 ZINC000037734850 175332836 /nfs/dbraw/zinc/33/28/36/175332836.db2.gz BYGLAMPJOYMKKL-HNNXBMFYSA-N 1 0 248.370 2.051 10 0 BEAERO COc1ccccc1C[C@H]1CCC[C@@H]1[NH3+] ZINC000043457492 175333856 /nfs/dbraw/zinc/33/38/56/175333856.db2.gz OVKNASVDCAGKLZ-PWSUYJOCSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccccc1Cn1ccc(CC[NH3+])c1 ZINC000071534752 175335057 /nfs/dbraw/zinc/33/50/57/175335057.db2.gz XQADUOQZCXZVNT-UHFFFAOYSA-N 1 0 230.311 2.046 10 0 BEAERO COc1ccccc1N(C)c1cccc(C[NH3+])n1 ZINC000051397446 175335489 /nfs/dbraw/zinc/33/54/89/175335489.db2.gz DKVNPMHDFGEIOS-UHFFFAOYSA-N 1 0 243.310 2.317 10 0 BEAERO COc1ccccc1N(CCC[NH3+])CC(F)F ZINC000037755630 175335706 /nfs/dbraw/zinc/33/57/06/175335706.db2.gz REIIFZPWPPGSJY-UHFFFAOYSA-N 1 0 244.285 2.116 10 0 BEAERO COc1ccccc1NC(=O)[C@H](C)CCC[NH3+] ZINC000076619133 175336656 /nfs/dbraw/zinc/33/66/56/175336656.db2.gz QEQOPQMWILWVON-SNVBAGLBSA-N 1 0 236.315 2.009 10 0 BEAERO COc1ccccc1NC[C@@H](C)CC[NH3+] ZINC000049814313 175337893 /nfs/dbraw/zinc/33/78/93/175337893.db2.gz WASDJHOFCFAZPY-JTQLQIEISA-N 1 0 208.305 2.092 10 0 BEAERO COc1ccccc1OC[C@H]1CCCC[NH2+]1 ZINC000019486837 175341913 /nfs/dbraw/zinc/34/19/13/175341913.db2.gz ZTKFIAAHYJKIQJ-LLVKDONJSA-N 1 0 221.300 2.216 10 0 BEAERO COc1ccccc1[C@@H](C)[NH2+]Cc1cn[nH]c1 ZINC000038005887 175344203 /nfs/dbraw/zinc/34/42/03/175344203.db2.gz VOASWHRTFTVPRG-SNVBAGLBSA-N 1 0 231.299 2.269 10 0 BEAERO COc1ccccc1[C@@H](O)C[NH2+]C(C)(C)C ZINC000032014586 175347206 /nfs/dbraw/zinc/34/72/06/175347206.db2.gz JZGVWCFETHRZQM-NSHDSACASA-N 1 0 223.316 2.117 10 0 BEAERO COc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000044117530 175347862 /nfs/dbraw/zinc/34/78/62/175347862.db2.gz LEHSPWQFIXTSSW-JSGCOSHPSA-N 1 0 249.354 2.461 10 0 BEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])n1cc(C)cn1 ZINC000043098764 175349244 /nfs/dbraw/zinc/34/92/44/175349244.db2.gz DWEQTROJRABNKD-BXUZGUMPSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367626501 175352167 /nfs/dbraw/zinc/35/21/67/175352167.db2.gz OMPZEZXBQQIBOM-DOERSZECSA-N 1 0 247.338 2.238 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])OCC(F)(F)F ZINC000043098946 175353606 /nfs/dbraw/zinc/35/36/06/175353606.db2.gz BLULTYLPORBGHZ-JTQLQIEISA-N 1 0 249.232 2.274 10 0 BEAERO COc1ccccc1[C@H]([C@H](C)[NH3+])n1ccnc1C ZINC000043098691 175354136 /nfs/dbraw/zinc/35/41/36/175354136.db2.gz BBUVFTPIWHAMQQ-HZMBPMFUSA-N 1 0 245.326 2.137 10 0 BEAERO CSC[C@H](O)C[NH2+][C@@H](C)c1ccccc1C ZINC000187743766 175528694 /nfs/dbraw/zinc/52/86/94/175528694.db2.gz KWTVHZYAYVMWRK-NWDGAFQWSA-N 1 0 239.384 2.370 10 0 BEAERO CSc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000077334686 175576612 /nfs/dbraw/zinc/57/66/12/175576612.db2.gz QPPJIWWLUJBZPQ-UHFFFAOYSA-N 1 0 222.357 2.208 10 0 BEAERO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367687685 175662148 /nfs/dbraw/zinc/66/21/48/175662148.db2.gz LDOKIWCPIOPDAQ-XYJRDEOASA-N 1 0 209.333 2.047 10 0 BEAERO C[C@@H](C[NH3+])Oc1ccccc1C(F)(F)F ZINC000043514089 175711664 /nfs/dbraw/zinc/71/16/64/175711664.db2.gz YSQZVZRXQKRHER-ZETCQYMHSA-N 1 0 219.206 2.431 10 0 BEAERO C[C@@H](Cc1ccco1)NC1=[NH+]CCCS1 ZINC000042592085 175774649 /nfs/dbraw/zinc/77/46/49/175774649.db2.gz AROAUWVGIQXLQG-VIFPVBQESA-N 1 0 224.329 2.293 10 0 BEAERO C[C@@H](N(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+])C(C)(C)C ZINC000055089580 175791073 /nfs/dbraw/zinc/79/10/73/175791073.db2.gz VCDHJEHRUXIJOC-UTUOFQBUSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000232683592 487631804 /nfs/dbraw/zinc/63/18/04/487631804.db2.gz VVZKNUQXLGBMJR-UPJWGTAASA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H]([NH3+])Cc1cnn(C2CCCCC2)c1 ZINC000054741388 175807919 /nfs/dbraw/zinc/80/79/19/175807919.db2.gz WYXNRGVNSDRWPP-SNVBAGLBSA-N 1 0 207.321 2.278 10 0 BEAERO C[C@@H]([NH3+])[C@H](Sc1cnccn1)c1ccccn1 ZINC000104354053 175812493 /nfs/dbraw/zinc/81/24/93/175812493.db2.gz HYKYYEMVKUPVKN-SKDRFNHKSA-N 1 0 246.339 2.052 10 0 BEAERO C[C@@H]([NH3+])c1noc(-c2c(F)cccc2F)n1 ZINC000041052194 175822264 /nfs/dbraw/zinc/82/22/64/175822264.db2.gz YYACKXIMGPIORK-RXMQYKEDSA-N 1 0 225.198 2.035 10 0 BEAERO C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)c1ccco1 ZINC000035738285 175845407 /nfs/dbraw/zinc/84/54/07/175845407.db2.gz BOVYZXQVKKRLEB-ZWNOBZJWSA-N 1 0 244.294 2.157 10 0 BEAERO C[C@@H]([NH2+]CC(C)(C)C)C(=O)N1CCCCC1 ZINC000040493680 175864378 /nfs/dbraw/zinc/86/43/78/175864378.db2.gz JMNFLIPOIZOEMO-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO C[C@@H]([NH2+]CCCn1ccnn1)C1CCCCC1 ZINC000126567169 175877143 /nfs/dbraw/zinc/87/71/43/175877143.db2.gz AUZQKDPZXGIENA-GFCCVEGCSA-N 1 0 236.363 2.227 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc(F)c1 ZINC000375607585 175894423 /nfs/dbraw/zinc/89/44/23/175894423.db2.gz UHXWAVJUDXCBAZ-JXJLXUTGSA-N 1 0 235.302 2.369 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000180601571 175917298 /nfs/dbraw/zinc/91/72/98/175917298.db2.gz XKJLHACUNOMCBC-NXEZZACHSA-N 1 0 248.355 2.005 10 0 BEAERO C[C@@H]([C@H]([NH3+])c1ccccc1)N1CCCO[C@H](C)C1 ZINC000061917121 176012321 /nfs/dbraw/zinc/01/23/21/176012321.db2.gz QSMOEICWLFGWGP-IPYPFGDCSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@@H](c1ccc(Cl)s1)N1CC[C@@H]([NH3+])C1=O ZINC000049649065 176014292 /nfs/dbraw/zinc/01/42/92/176014292.db2.gz ADKXGVQTJWMXLM-NKWVEPMBSA-N 1 0 244.747 2.022 10 0 BEAERO C[C@@H](c1ccc(C[NH3+])cc1)N1CCCCC1=O ZINC000037748193 176014355 /nfs/dbraw/zinc/01/43/55/176014355.db2.gz GASCTEQHJXWNIC-NSHDSACASA-N 1 0 232.327 2.219 10 0 BEAERO C[C@@H](c1ccc(N)cc1)[NH+]1CCSCC1 ZINC000040908760 176016231 /nfs/dbraw/zinc/01/62/31/176016231.db2.gz DIKOMBGMUWMJQU-JTQLQIEISA-N 1 0 222.357 2.379 10 0 BEAERO C[C@@H](c1ccc[nH]1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068200 176016363 /nfs/dbraw/zinc/01/63/63/176016363.db2.gz VCPXFGBDYUXQGH-RYUDHWBXSA-N 1 0 221.348 2.150 10 0 BEAERO C[C@@H](c1cccc(N)c1)[N@H+](C)C1CCN(C)CC1 ZINC000042288340 176018209 /nfs/dbraw/zinc/01/82/09/176018209.db2.gz WYKXXSIISAFAIZ-LBPRGKRZSA-N 1 0 247.386 2.356 10 0 BEAERO C[C@@H](c1ccsc1)N1CCC([NH3+])CC1 ZINC000050345144 176035506 /nfs/dbraw/zinc/03/55/06/176035506.db2.gz MZFDMNZYYRCSSQ-VIFPVBQESA-N 1 0 210.346 2.232 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@]([NH2+]CC2CC2)(C(N)=O)C1 ZINC000037947023 176052105 /nfs/dbraw/zinc/05/21/05/176052105.db2.gz NAROAVTZINAWIM-QMTHXVAHSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CCCCN1C(=O)CC1CCC([NH3+])CC1 ZINC000055121980 176066322 /nfs/dbraw/zinc/06/63/22/176066322.db2.gz ZCVOWYPUWMDMFV-PNESKVBLSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncn1 ZINC000054788659 176081538 /nfs/dbraw/zinc/08/15/38/176081538.db2.gz JETFDLPEBCNVBU-PWSUYJOCSA-N 1 0 205.305 2.145 10 0 BEAERO C[C@@H]1CCCC[C@@H]1Oc1cccc(C[NH3+])n1 ZINC000051524760 176082988 /nfs/dbraw/zinc/08/29/88/176082988.db2.gz CPQYWYKPDVWPQP-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCC[C@@]1(CO)[NH2+]C1CCCC1 ZINC000038122658 176083908 /nfs/dbraw/zinc/08/39/08/176083908.db2.gz MGGDDVPKBSJHFY-YPMHNXCESA-N 1 0 211.349 2.460 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309112714 176088718 /nfs/dbraw/zinc/08/87/18/176088718.db2.gz KGCDDNZDWPNYNT-NJMOYASZSA-N 1 0 209.333 2.047 10 0 BEAERO C[C@@H]1CCCC[C@H]1OC(=O)C1CC[NH2+]CC1 ZINC000048633336 176089110 /nfs/dbraw/zinc/08/91/10/176089110.db2.gz AHZCBMROQPFSMA-ZYHUDNBSSA-N 1 0 225.332 2.108 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037490847 176089755 /nfs/dbraw/zinc/08/97/55/176089755.db2.gz WPWNYIQXBGKSKO-LPWJVIDDSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]1CCCC[C@H]1OCc1cc(C[NH3+])no1 ZINC000052620773 176090485 /nfs/dbraw/zinc/09/04/85/176090485.db2.gz NWGNYMKUKYXGMQ-BXKDBHETSA-N 1 0 224.304 2.229 10 0 BEAERO C[C@@H]1CCC[N@H+](CCNCc2ccco2)CC1 ZINC000104348995 176097644 /nfs/dbraw/zinc/09/76/44/176097644.db2.gz PVOUBOJBBMMGAY-CYBMUJFWSA-N 1 0 236.359 2.491 10 0 BEAERO C[C@@H]1CCCN(Cc2csc(C[NH3+])n2)[C@@H]1C ZINC000052373376 176101565 /nfs/dbraw/zinc/10/15/65/176101565.db2.gz AEEQRUVKWMIWGF-NXEZZACHSA-N 1 0 239.388 2.222 10 0 BEAERO C[C@@H]1CCC[N@H+](Cc2csc(N)n2)[C@@H]1C ZINC000050564946 176101674 /nfs/dbraw/zinc/10/16/74/176101674.db2.gz LDYKBMJTMRRBSP-RKDXNWHRSA-N 1 0 225.361 2.346 10 0 BEAERO C[C@@H]1CCC[N@@H+]1CCOc1cccc(N)c1 ZINC000038000059 176108101 /nfs/dbraw/zinc/10/81/01/176108101.db2.gz QARDBXQEVZUWRH-LLVKDONJSA-N 1 0 220.316 2.132 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C[C@@](C)(CO)c1ccccc1 ZINC000051291328 176109014 /nfs/dbraw/zinc/10/90/14/176109014.db2.gz URHZKDJLIHBINM-HIFRSBDPSA-N 1 0 233.355 2.421 10 0 BEAERO C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc2[C@@H]1N ZINC000037910545 176110154 /nfs/dbraw/zinc/11/01/54/176110154.db2.gz QSDUHODVKJKQLU-DFBGVHRSSA-N 1 0 230.355 2.486 10 0 BEAERO C[C@@H]1CCC[N@@H+]1[C@@H](CN)c1cccs1 ZINC000037910259 176110558 /nfs/dbraw/zinc/11/05/58/176110558.db2.gz XROIELXLESQYES-ZJUUUORDSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)Cc1ccccc1 ZINC000051790820 176111740 /nfs/dbraw/zinc/11/17/40/176111740.db2.gz KPPWGGNLCCYZIU-OCCSQVGLSA-N 1 0 246.354 2.033 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2)[NH2+]1 ZINC000019425530 176113415 /nfs/dbraw/zinc/11/34/15/176113415.db2.gz YGXGPIQISVLDPM-SKDRFNHKSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309658065 176113839 /nfs/dbraw/zinc/11/38/39/176113839.db2.gz AKBCRRWKXKYXNV-VEGXAWMVSA-N 1 0 223.360 2.293 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946246 176114620 /nfs/dbraw/zinc/11/46/20/176114620.db2.gz LABIRVUHNMFDIS-YRGRVCCFSA-N 1 0 236.403 2.495 10 0 BEAERO C[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000037256906 176121652 /nfs/dbraw/zinc/12/16/52/176121652.db2.gz KEEXOZRHQVFBBR-FRRDWIJNSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@@H](NC(=O)C[NH2+]C2CCCC2)C1 ZINC000037626148 176121774 /nfs/dbraw/zinc/12/17/74/176121774.db2.gz NAYACDWQXOXICJ-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@@H](Oc2ccnc(C[NH3+])c2)C1 ZINC000051542237 176125246 /nfs/dbraw/zinc/12/52/46/176125246.db2.gz LNQBBWZJLDAFQM-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@@H](Oc2ccc(C[NH3+])cn2)C1 ZINC000034958115 176125423 /nfs/dbraw/zinc/12/54/23/176125423.db2.gz HKRBUKILSDYFOM-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@@H]1NC(=O)C1CCC(C[NH3+])CC1 ZINC000071211889 176128588 /nfs/dbraw/zinc/12/85/88/176128588.db2.gz MDQPAOLQAQAQOP-XVSSEFHLSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]1 ZINC000051573370 176138718 /nfs/dbraw/zinc/13/87/18/176138718.db2.gz XRNMGCXGUDXCSG-NXEZZACHSA-N 1 0 228.336 2.042 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000042494732 176140316 /nfs/dbraw/zinc/14/03/16/176140316.db2.gz JIURMQFUUAPAMH-GRYCIOLGSA-N 1 0 240.391 2.397 10 0 BEAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)C1CCCC1 ZINC000055126372 176140426 /nfs/dbraw/zinc/14/04/26/176140426.db2.gz NBGTXACTZCPHML-KGYLQXTDSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000037152248 176143308 /nfs/dbraw/zinc/14/33/08/176143308.db2.gz QJGTVVGNBKNUBF-XVSSEFHLSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCC[C@H](Oc2cc(C(N)=[NH2+])ccn2)C1 ZINC000036915116 176146161 /nfs/dbraw/zinc/14/61/61/176146161.db2.gz TWJOBLJYFMYZIT-KOLCDFICSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@@H]1CC[N@H+](CCC(C)(C)C)[C@H](CN)C1 ZINC000082643407 176168711 /nfs/dbraw/zinc/16/87/11/176168711.db2.gz HBJGUANTNSNNOL-NEPJUHHUSA-N 1 0 212.381 2.482 10 0 BEAERO C[C@@H]1CCN(Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000235339146 176175650 /nfs/dbraw/zinc/17/56/50/176175650.db2.gz PSQDEERQIOFTLM-GHMZBOCLSA-N 1 0 224.373 2.307 10 0 BEAERO C[C@@H]1CCN(Cc2cccnc2)CC[C@@H](C)[NH2+]1 ZINC000049666582 176176304 /nfs/dbraw/zinc/17/63/04/176176304.db2.gz GGPYYMYQGKLHLD-CHWSQXEVSA-N 1 0 233.359 2.044 10 0 BEAERO C[C@@H]1CCN(c2ccc(F)cc2C[NH3+])C1 ZINC000040723621 176181877 /nfs/dbraw/zinc/18/18/77/176181877.db2.gz AAGUIYINHKETLK-SECBINFHSA-N 1 0 208.280 2.131 10 0 BEAERO C[C@@H]1CCN(c2nc3ccccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000235394885 176182214 /nfs/dbraw/zinc/18/22/14/176182214.db2.gz TXYVXAKFNXSJNV-GHMZBOCLSA-N 1 0 244.342 2.127 10 0 BEAERO C[C@@H]1CC[NH2+][C@H](C(=O)NCCC2CCCC2)C1 ZINC000126478014 176187262 /nfs/dbraw/zinc/18/72/62/176187262.db2.gz XNCYOGVNXISGAT-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)N(C)CC(C)(C)C)C[C@@H]1[NH3+] ZINC000055140751 176194449 /nfs/dbraw/zinc/19/44/49/176194449.db2.gz AVOKLOKYADMRQM-UTUOFQBUSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2)C[NH2+]1 ZINC000019519363 176196867 /nfs/dbraw/zinc/19/68/67/176196867.db2.gz MTOAFWZASMZHRK-GHMZBOCLSA-N 1 0 218.300 2.013 10 0 BEAERO C[C@@H]1CC[C@@H](CNC(=O)C2CCCCC2)C[NH2+]1 ZINC000062036583 176203965 /nfs/dbraw/zinc/20/39/65/176203965.db2.gz KAFFHHAJEPGRCD-VXGBXAGGSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)CCc2ccncc2)C1 ZINC000048259973 176208556 /nfs/dbraw/zinc/20/85/56/176208556.db2.gz VVCKZKSTBMHRHR-BPLDGKMQSA-N 1 0 247.386 2.072 10 0 BEAERO C[C@@H]1CC[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1 ZINC000039110724 176218910 /nfs/dbraw/zinc/21/89/10/176218910.db2.gz CRHBAGGSKRHZQC-ZIAGYGMSSA-N 1 0 224.392 2.450 10 0 BEAERO C[C@@H]1CN(CC[NH2+]CCC(C)(C)C)C[C@@H](C)O1 ZINC000053343647 176290611 /nfs/dbraw/zinc/29/06/11/176290611.db2.gz KFSQDHKOODDICQ-CHWSQXEVSA-N 1 0 242.407 2.121 10 0 BEAERO C[C@@H]1CN(Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062611094 176304252 /nfs/dbraw/zinc/30/42/52/176304252.db2.gz LNBFOPVFHYHEPE-LLVKDONJSA-N 1 0 222.307 2.010 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(c2ccc(N(C)C)cc2)C1 ZINC000049666421 176324009 /nfs/dbraw/zinc/32/40/09/176324009.db2.gz WMUVMDVHEWNJCB-CYBMUJFWSA-N 1 0 247.386 2.188 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(c2ccc(F)c(F)c2)C1 ZINC000049664651 176324660 /nfs/dbraw/zinc/32/46/60/176324660.db2.gz ITNJGIGZVLHHLJ-SNVBAGLBSA-N 1 0 240.297 2.401 10 0 BEAERO C[C@@H]1C[NH2+]CCN(c2cccc3cnccc32)C1 ZINC000049662082 176326164 /nfs/dbraw/zinc/32/61/64/176326164.db2.gz HNLYQYNOKRNXJO-GFCCVEGCSA-N 1 0 241.338 2.281 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2cccc(Cl)c2)O1 ZINC000032012620 176329152 /nfs/dbraw/zinc/32/91/52/176329152.db2.gz NEOAXIQXEJQMLV-KCJUWKMLSA-N 1 0 211.692 2.389 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2cc(F)ccc2F)O1 ZINC000036986398 176329496 /nfs/dbraw/zinc/32/94/96/176329496.db2.gz OGCNUJJIONCYEV-RDDDGLTNSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]1COC[C@H](CCc2cccc(F)c2)[NH2+]1 ZINC000071525002 176347415 /nfs/dbraw/zinc/34/74/15/176347415.db2.gz YJCLAYFHACVXAX-MFKMUULPSA-N 1 0 223.291 2.135 10 0 BEAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021669 176361840 /nfs/dbraw/zinc/36/18/40/176361840.db2.gz YUWLNNQEMAPTNM-BZPMIXESSA-N 1 0 233.359 2.059 10 0 BEAERO C[C@@H]1Cc2cc(C(=O)C3CC[NH2+]CC3)ccc2O1 ZINC000037175877 176449769 /nfs/dbraw/zinc/44/97/69/176449769.db2.gz SMZAIRCXTKOQGK-SNVBAGLBSA-N 1 0 245.322 2.192 10 0 BEAERO C[C@@]([NH3+])(c1ccc(Cl)cc1)c1cncnc1 ZINC000052887673 176511608 /nfs/dbraw/zinc/51/16/08/176511608.db2.gz UXVHKQPFAHVGAQ-GFCCVEGCSA-N 1 0 233.702 2.352 10 0 BEAERO C[C@@](O)(c1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000104123825 176520302 /nfs/dbraw/zinc/52/03/02/176520302.db2.gz MTZVKICDJWTPAP-ZANVPECISA-N 1 0 241.281 2.172 10 0 BEAERO C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000111644403 176600281 /nfs/dbraw/zinc/60/02/81/176600281.db2.gz PKCFRHQEXBDCBM-UTUOFQBUSA-N 1 0 240.391 2.302 10 0 BEAERO C[C@H](CC1CC1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235424863 176612212 /nfs/dbraw/zinc/61/22/12/176612212.db2.gz YAYAZPVBDIRZTM-PWSUYJOCSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](C[NH3+])CN(C)c1ncccc1C(F)(F)F ZINC000042455581 176657967 /nfs/dbraw/zinc/65/79/67/176657967.db2.gz AZUGTFVZUUHJIO-MRVPVSSYSA-N 1 0 247.264 2.131 10 0 BEAERO C[C@H](C[NH3+])c1nc(-c2ccco2)cs1 ZINC000011886661 176662809 /nfs/dbraw/zinc/66/28/09/176662809.db2.gz ZXDDDQXJEICILX-SSDOTTSWSA-N 1 0 208.286 2.465 10 0 BEAERO C[C@H](C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000054158396 176663398 /nfs/dbraw/zinc/66/33/98/176663398.db2.gz HDHFSFRTLFUEBK-SCSAIBSYSA-N 1 0 210.224 2.224 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2ccc(Cl)cc2)n1 ZINC000054158728 176663510 /nfs/dbraw/zinc/66/35/10/176663510.db2.gz ROTQSKRPIPZYDV-SSDOTTSWSA-N 1 0 237.690 2.452 10 0 BEAERO C[C@H]([NH3+])COc1ccc(Br)c(F)c1 ZINC000075881414 176761148 /nfs/dbraw/zinc/76/11/48/176761148.db2.gz ZIYCVAVZUDGFHR-LURJTMIESA-N 1 0 248.095 2.314 10 0 BEAERO C[C@H]([NH3+])Cc1ccc(OC(F)F)cc1 ZINC000019387639 176761448 /nfs/dbraw/zinc/76/14/48/176761448.db2.gz XGKJECQRSBRWAM-ZETCQYMHSA-N 1 0 201.216 2.178 10 0 BEAERO C[C@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccsc1 ZINC000043125832 176770992 /nfs/dbraw/zinc/77/09/92/176770992.db2.gz IMFDDGRPJKRRIZ-XPUUQOCRSA-N 1 0 240.357 2.047 10 0 BEAERO C[C@H]([NH3+])c1ccc(OC[C@@H]2CCCO2)c(F)c1 ZINC000019873221 176776717 /nfs/dbraw/zinc/77/67/17/176776717.db2.gz HOPNKZPUDLOIKE-ONGXEEELSA-N 1 0 239.290 2.403 10 0 BEAERO C[C@H]([NH3+])c1ccc(NC(=O)c2cccnc2)cc1 ZINC000022209343 176776799 /nfs/dbraw/zinc/77/67/99/176776799.db2.gz AZDFNLDYNZJBKI-JTQLQIEISA-N 1 0 241.294 2.354 10 0 BEAERO C[C@H]([NH3+])c1cccc(NC(=O)C2CCOCC2)c1 ZINC000061671084 176777471 /nfs/dbraw/zinc/77/74/71/176777471.db2.gz XVJFOLWWZQZXTN-JTQLQIEISA-N 1 0 248.326 2.071 10 0 BEAERO C[C@H]([NH3+])c1csc(-c2ccccn2)n1 ZINC000011568393 176778593 /nfs/dbraw/zinc/77/85/93/176778593.db2.gz RXOODWNNEMUXJA-ZETCQYMHSA-N 1 0 205.286 2.225 10 0 BEAERO C[C@H]([NH3+])c1noc(Cc2ccc(Cl)cc2)n1 ZINC000041052323 176783499 /nfs/dbraw/zinc/78/34/99/176783499.db2.gz ONFIRBPDNQDGBH-ZETCQYMHSA-N 1 0 237.690 2.334 10 0 BEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000040852383 176793082 /nfs/dbraw/zinc/79/30/82/176793082.db2.gz XXLOUANSXKGHQO-BDAKNGLRSA-N 1 0 240.734 2.255 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000313068480 487635055 /nfs/dbraw/zinc/63/50/55/487635055.db2.gz HENKEFQRDJJDSN-VXGBXAGGSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(O)cc1 ZINC000037738135 176862507 /nfs/dbraw/zinc/86/25/07/176862507.db2.gz AVWVMLHGAXATKX-QWRGUYRKSA-N 1 0 221.300 2.079 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccncc1 ZINC000038044000 176869248 /nfs/dbraw/zinc/86/92/48/176869248.db2.gz NCVRFOIWWSWNQK-NWDGAFQWSA-N 1 0 220.316 2.159 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)C1CCCCC1 ZINC000367713995 176870924 /nfs/dbraw/zinc/87/09/24/176870924.db2.gz XRVWNXILSUOCIQ-DOERSZECSA-N 1 0 223.360 2.437 10 0 BEAERO C[C@H](O)CC[N@H+](C)CCCC(=O)c1ccccc1 ZINC000135577061 176957814 /nfs/dbraw/zinc/95/78/14/176957814.db2.gz MSXNLWIDUBZOQY-ZDUSSCGKSA-N 1 0 249.354 2.352 10 0 BEAERO C[C@H](O)[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000041216323 177013276 /nfs/dbraw/zinc/01/32/76/177013276.db2.gz CNPLPEJYKJAOLH-CABZTGNLSA-N 1 0 207.317 2.365 10 0 BEAERO C[C@H](O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000035626263 177017153 /nfs/dbraw/zinc/01/71/53/177017153.db2.gz PWBCXTKPYWPUKB-LBPRGKRZSA-N 1 0 235.327 2.215 10 0 BEAERO C[C@H](OC[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068504 177020865 /nfs/dbraw/zinc/02/08/65/177020865.db2.gz YANYPGFYOYFZCD-WDEREUQCSA-N 1 0 208.305 2.092 10 0 BEAERO C[C@H](OC[C@@H](O)C[NH2+][C@@H]1C[C@@H]1C)c1ccccc1 ZINC000052278371 177021057 /nfs/dbraw/zinc/02/10/57/177021057.db2.gz KZXKBLOMAAHXDI-NZBPQXDJSA-N 1 0 249.354 2.123 10 0 BEAERO C[C@H](OC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000095068460 177021288 /nfs/dbraw/zinc/02/12/88/177021288.db2.gz ZNGVASADCNMTRT-QWRGUYRKSA-N 1 0 209.289 2.499 10 0 BEAERO C[C@H]([C@@H]([NH3+])c1ccccc1)n1ccnc1 ZINC000023070822 177031234 /nfs/dbraw/zinc/03/12/34/177031234.db2.gz DCHONAQTARXODU-ZYHUDNBSSA-N 1 0 201.273 2.144 10 0 BEAERO C[C@H](c1cc(F)ccc1F)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309154 177031984 /nfs/dbraw/zinc/03/19/84/177031984.db2.gz UQFZQMLUJIVBQT-MWLCHTKSSA-N 1 0 240.297 2.320 10 0 BEAERO C[C@H](c1ccc[nH]1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068201 177035715 /nfs/dbraw/zinc/03/57/15/177035715.db2.gz VCPXFGBDYUXQGH-NEPJUHHUSA-N 1 0 221.348 2.150 10 0 BEAERO C[C@H](c1cccs1)N(C)[C@@H]1CC[NH2+]C1 ZINC000051783515 177048506 /nfs/dbraw/zinc/04/85/06/177048506.db2.gz RTJMRFHGBSOCGT-NXEZZACHSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(c2ncon2)C1 ZINC000036762102 177063596 /nfs/dbraw/zinc/06/35/96/177063596.db2.gz VSWUSITZJMVUPS-KWQFWETISA-N 1 0 209.293 2.070 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@](CN)([NH2+]C2CC2)C1 ZINC000050271073 177063642 /nfs/dbraw/zinc/06/36/42/177063642.db2.gz ZFEMCQQENHKGCO-GWCFXTLKSA-N 1 0 210.365 2.282 10 0 BEAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(c2cncnc2)C1 ZINC000052887627 177063651 /nfs/dbraw/zinc/06/36/51/177063651.db2.gz NUTAVAIQYWIBHI-GWCFXTLKSA-N 1 0 219.332 2.477 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@](O)(C[NH2+]C2CC2)C1 ZINC000055029020 177063943 /nfs/dbraw/zinc/06/39/43/177063943.db2.gz MDGBVRHMDOSVQN-GXFFZTMASA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]1CCCC[C@@H]1Oc1cc(C[NH3+])ccn1 ZINC000019398766 177084385 /nfs/dbraw/zinc/08/43/85/177084385.db2.gz JVKIQMWYPRUHMY-JQWIXIFHSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCCC[C@@]1([NH2+]Cc1ccccc1)C(N)=O ZINC000037941227 177085407 /nfs/dbraw/zinc/08/54/07/177085407.db2.gz PTJVKHBUKUARNV-WFASDCNBSA-N 1 0 246.354 2.210 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCCNC1=O ZINC000042863171 177086057 /nfs/dbraw/zinc/08/60/57/177086057.db2.gz OQACUQLEVRDYJN-RWMBFGLXSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCCN(C(=O)c2cccc(CC[NH3+])c2)C1 ZINC000053661553 177095250 /nfs/dbraw/zinc/09/52/50/177095250.db2.gz YJPOQHIBOVFUSD-LBPRGKRZSA-N 1 0 246.354 2.060 10 0 BEAERO C[C@H]1CCC[N@@H+](C2(CN)CCCCC2)C1 ZINC000019423748 177095868 /nfs/dbraw/zinc/09/58/68/177095868.db2.gz MIXMWQLZHFAMBI-LBPRGKRZSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@H]1CCC[N@H+](CCNCc2ccco2)CC1 ZINC000104348999 177098364 /nfs/dbraw/zinc/09/83/64/177098364.db2.gz PVOUBOJBBMMGAY-ZDUSSCGKSA-N 1 0 236.359 2.491 10 0 BEAERO C[C@H]1CCCN([C@@H](C[NH3+])c2ccco2)C1 ZINC000019260605 177104318 /nfs/dbraw/zinc/10/43/18/177104318.db2.gz JWZRFLWLNUNIKK-QWRGUYRKSA-N 1 0 208.305 2.011 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1c1ncc(C[NH3+])s1 ZINC000054896210 177104786 /nfs/dbraw/zinc/10/47/86/177104786.db2.gz BPCPRHXBCPIKIE-DTWKUNHWSA-N 1 0 225.361 2.227 10 0 BEAERO C[C@H]1CCC[N@@H+]1[C@H](CN)Cc1ccccc1 ZINC000037910322 177111648 /nfs/dbraw/zinc/11/16/48/177111648.db2.gz KGDLQWLOTOFWEX-JSGCOSHPSA-N 1 0 218.344 2.041 10 0 BEAERO C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037910426 177112191 /nfs/dbraw/zinc/11/21/91/177112191.db2.gz WIINAICUMDAIQJ-ZANVPECISA-N 1 0 240.297 2.449 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N2CCCCCC2)[C@@H]1[NH3+] ZINC000055122680 177112841 /nfs/dbraw/zinc/11/28/41/177112841.db2.gz BUWICWUMBDGGPM-YNEHKIRRSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N2CCc3ccccc32)[NH2+]1 ZINC000019473947 177113072 /nfs/dbraw/zinc/11/30/72/177113072.db2.gz OKBDVQZEEQZMEZ-AAEUAGOBSA-N 1 0 244.338 2.106 10 0 BEAERO C[C@@H]([NH3+])c1cnc(N2CCC[C@@H]2C)s1 ZINC000054863906 177113097 /nfs/dbraw/zinc/11/30/97/177113097.db2.gz FIQHMERAQBIHLL-JGVFFNPUSA-N 1 0 211.334 2.152 10 0 BEAERO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)NC(C)(C)C ZINC000125168583 177114870 /nfs/dbraw/zinc/11/48/70/177114870.db2.gz BRGVGINVVDYODH-NWDGAFQWSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)N2[C@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000034717517 177116426 /nfs/dbraw/zinc/11/64/26/177116426.db2.gz OMAUIJHXPWXTPA-NDBYEHHHSA-N 1 0 238.375 2.164 10 0 BEAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)C1CCCC1 ZINC000055126375 177121732 /nfs/dbraw/zinc/12/17/32/177121732.db2.gz NBGTXACTZCPHML-CYZMBNFOSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000094647215 177122014 /nfs/dbraw/zinc/12/20/14/177122014.db2.gz GFXULQKJPHUHQJ-UMSGYPCISA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000037152254 177122372 /nfs/dbraw/zinc/12/23/72/177122372.db2.gz QJGTVVGNBKNUBF-YWPUVAFDSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H]1[C@H]([NH2+]CC(=O)N2CCCC2)CCC[C@@H]1C ZINC000020055146 177123082 /nfs/dbraw/zinc/12/30/82/177123082.db2.gz JFTLMWATCAFCPD-YNEHKIRRSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CCC[C@@H](c2ncc(CC[NH3+])cn2)C1 ZINC000054857384 177123470 /nfs/dbraw/zinc/12/34/70/177123470.db2.gz PSOMQYKOWMXHLW-CMPLNLGQSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2ccco2)C1 ZINC000053115449 177127868 /nfs/dbraw/zinc/12/78/68/177127868.db2.gz FKIFQNVIQXVQSR-WCQYABFASA-N 1 0 223.316 2.310 10 0 BEAERO C[C@H]1CCC[C@H](C)C1[N@@H+]1CCCNCC1 ZINC000038086875 177129304 /nfs/dbraw/zinc/12/93/04/177129304.db2.gz INYKWAIEHFIAJY-RYUDHWBXSA-N 1 0 210.365 2.106 10 0 BEAERO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCN(C)C1 ZINC000042543918 177130155 /nfs/dbraw/zinc/13/01/55/177130155.db2.gz BDIYREZRUORLSC-SDDRHHMPSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@H]1CCC[C@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000037256904 177135617 /nfs/dbraw/zinc/13/56/17/177135617.db2.gz KEEXOZRHQVFBBR-AVGNSLFASA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CCC[C@](O)(C[NH2+]C2CCCC2)C1 ZINC000055030905 177143839 /nfs/dbraw/zinc/14/38/39/177143839.db2.gz SFABRULZXUBJGX-WCQYABFASA-N 1 0 211.349 2.460 10 0 BEAERO C[C@H]1CCN(C(=O)CC2CCCC2)[C@H](C[NH3+])C1 ZINC000235650235 177147259 /nfs/dbraw/zinc/14/72/59/177147259.db2.gz JHKHXGSCHOZRNW-AAEUAGOBSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000054292856 177148020 /nfs/dbraw/zinc/14/80/20/177148020.db2.gz VFPABHLDPYRZSS-AVGNSLFASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CC[N@H+](CC2CCCC2)[C@H](CN)C1 ZINC000082643404 177158690 /nfs/dbraw/zinc/15/86/90/177158690.db2.gz FNGZXSRZGZLRFZ-AAEUAGOBSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCN[C@@H](C)CC1 ZINC000044417884 177161845 /nfs/dbraw/zinc/16/18/45/177161845.db2.gz LEYIZWFTLCZGQT-RDBSUJKOSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@@H]1CCN(Cc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666579 177165605 /nfs/dbraw/zinc/16/56/05/177165605.db2.gz GGPYYMYQGKLHLD-BETUJISGSA-N 1 0 233.359 2.044 10 0 BEAERO C[C@H]1CCN(Cc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666519 177165683 /nfs/dbraw/zinc/16/56/83/177165683.db2.gz GGZSFOUYDYQNTR-STQMWFEESA-N 1 0 233.359 2.044 10 0 BEAERO C[C@H]1CCN(c2ccc(F)cc2C[NH3+])C1 ZINC000040723624 177170943 /nfs/dbraw/zinc/17/09/43/177170943.db2.gz AAGUIYINHKETLK-VIFPVBQESA-N 1 0 208.280 2.131 10 0 BEAERO C[C@H]1CCN(c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000044390215 177171489 /nfs/dbraw/zinc/17/14/89/177171489.db2.gz ISQQPGHDUXGGKO-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C[NH2+]1 ZINC000019511521 177181746 /nfs/dbraw/zinc/18/17/46/177181746.db2.gz GMHHQZGPBOADEC-WUHRBBMRSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CC[C@H](C(=O)N(C)C2CCCCC2)C[NH2+]1 ZINC000019484072 177196566 /nfs/dbraw/zinc/19/65/66/177196566.db2.gz YLMNBEHFAMEHNG-RYUDHWBXSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1CC[C@H](C(=O)NCC2CCCCC2)C[NH2+]1 ZINC000037260054 177197312 /nfs/dbraw/zinc/19/73/12/177197312.db2.gz CTFGXKRDCJFIGR-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[C@H](C(=O)NCCC2CCCC2)C[NH2+]1 ZINC000037741553 177197470 /nfs/dbraw/zinc/19/74/70/177197470.db2.gz OFFNZYGVDJTBIP-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCc2cc3c(cc2[C@H]([NH3+])C1)OCCO3 ZINC000061831644 177209590 /nfs/dbraw/zinc/20/95/90/177209590.db2.gz JEJXMFBDOSXIQF-JOYOIKCWSA-N 1 0 233.311 2.430 10 0 BEAERO C[C@H]1C[N@@H+](C(C)(C)CC(C)(C)C)CCN1 ZINC000083062923 177232447 /nfs/dbraw/zinc/23/24/47/177232447.db2.gz BXDUAGOJJFRNCZ-NSHDSACASA-N 1 0 212.381 2.495 10 0 BEAERO C[C@H]1CN(C2(C[NH3+])CCCCCC2)C[C@H](C)O1 ZINC000019473388 177240272 /nfs/dbraw/zinc/24/02/72/177240272.db2.gz CFXRREOVMREJHO-STQMWFEESA-N 1 0 240.391 2.147 10 0 BEAERO C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)C[C@H](C)O1 ZINC000130463820 177265179 /nfs/dbraw/zinc/26/51/79/177265179.db2.gz USNYHOKYPURHIL-TXEJJXNPSA-N 1 0 246.354 2.264 10 0 BEAERO C[C@@H]1CN([C@@H]2CCOc3ccccc32)C[C@H](C)[NH2+]1 ZINC000111748600 177275788 /nfs/dbraw/zinc/27/57/88/177275788.db2.gz RNWCMCAEEKVQIG-MBNYWOFBSA-N 1 0 246.354 2.192 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@H](C)S1)c1ccncc1 ZINC000035694052 177281742 /nfs/dbraw/zinc/28/17/42/177281742.db2.gz XGTFXGOXGXSQPR-DTWKUNHWSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2cccc(F)c2F)C1 ZINC000049667022 177282039 /nfs/dbraw/zinc/28/20/39/177282039.db2.gz LNVROZQTNJCKNQ-JTQLQIEISA-N 1 0 240.297 2.401 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000083101797 177285292 /nfs/dbraw/zinc/28/52/92/177285292.db2.gz TXUHHDWJFTYALO-PWSUYJOCSA-N 1 0 233.311 2.171 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](C)CN(c2ccccc2)C1 ZINC000049665062 177286025 /nfs/dbraw/zinc/28/60/25/177286025.db2.gz URGHKSYFEMAHOV-BETUJISGSA-N 1 0 218.344 2.368 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc(C2CCCCC2)no1 ZINC000104204864 177286106 /nfs/dbraw/zinc/28/61/06/177286106.db2.gz GRYSQUSRQDARAF-ONGXEEELSA-N 1 0 235.331 2.440 10 0 BEAERO C[C@@H]1C[C@H](C)CN([C@H](C[NH3+])c2ccco2)C1 ZINC000039789036 177315568 /nfs/dbraw/zinc/31/55/68/177315568.db2.gz VVOOBECOVUXKAR-GRYCIOLGSA-N 1 0 222.332 2.257 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)CC(C)(C)C1 ZINC000037998163 177332625 /nfs/dbraw/zinc/33/26/25/177332625.db2.gz PTYGRLVLEZAHCK-YNEHKIRRSA-N 1 0 241.375 2.206 10 0 BEAERO C[C@H]1C[C@@H]1CN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000104416663 177342056 /nfs/dbraw/zinc/34/20/56/177342056.db2.gz AIIJLIARUHMICC-CMPLNLGQSA-N 1 0 247.342 2.265 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)Nc1ccccc1Cl ZINC000052287685 177350216 /nfs/dbraw/zinc/35/02/16/177350216.db2.gz WBAXTEHCQYOFQG-KWQFWETISA-N 1 0 238.718 2.277 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccnc2)C[C@H](C)O1 ZINC000282177397 177363271 /nfs/dbraw/zinc/36/32/71/177363271.db2.gz JSWXSECIOQMYMZ-DABQJJPHSA-N 1 0 234.343 2.375 10 0 BEAERO C[C@H]1C[C@H](N(C)Cc2nccs2)CC[N@@H+]1C ZINC000135123124 177365207 /nfs/dbraw/zinc/36/52/07/177365207.db2.gz VPGZRLNLRXKQTG-WDEREUQCSA-N 1 0 239.388 2.058 10 0 BEAERO C[C@@H]1[C@@H](C)C[C@H]([NH3+])CN1Cc1ccccc1 ZINC000068593182 177365512 /nfs/dbraw/zinc/36/55/12/177365512.db2.gz NVIRYIHNKWLTFW-SCRDCRAPSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@H]1C[C@H]([NH2+]CC2(C)CCC2)CN1C1CC1 ZINC000120416072 177368668 /nfs/dbraw/zinc/36/86/68/177368668.db2.gz GUFYQJIFEHJQSN-RYUDHWBXSA-N 1 0 222.376 2.391 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]CCCn2ccnn2)C[C@@H]1C ZINC000126534355 177368868 /nfs/dbraw/zinc/36/88/68/177368868.db2.gz RJHIGKYMZJKXGI-FRRDWIJNSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]C1CC(c2ccccn2)C1 ZINC000308828675 177385396 /nfs/dbraw/zinc/38/53/96/177385396.db2.gz FKJDPAVXIJJFTN-HHISKICNSA-N 1 0 202.301 2.326 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000096543939 177386096 /nfs/dbraw/zinc/38/60/96/177386096.db2.gz SIIUOEUBYMJLQG-GZMMTYOYSA-N 1 0 235.718 2.486 10 0 BEAERO C[C@H]1Cc2c(cccc2OC(F)F)C[NH2+]1 ZINC000052095234 177388070 /nfs/dbraw/zinc/38/80/70/177388070.db2.gz WRTCBDLEGZVNRJ-ZETCQYMHSA-N 1 0 213.227 2.322 10 0 BEAERO C[C@H]1Cc2cc([C@H]3CCC[NH2+]3)ccc2O1 ZINC000082925877 177388784 /nfs/dbraw/zinc/38/87/84/177388784.db2.gz CARBANVUKKMJSG-JOYOIKCWSA-N 1 0 203.285 2.435 10 0 BEAERO C[C@](O)(c1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000071535728 177452149 /nfs/dbraw/zinc/45/21/49/177452149.db2.gz ASYXWNGTMUYEQT-OIBJUYFYSA-N 1 0 231.748 2.361 10 0 BEAERO Cc1[nH]c2cccc(O)c2c1CC[NH+](C)C ZINC000028528263 177514013 /nfs/dbraw/zinc/51/40/13/177514013.db2.gz HXNGZUVNHQYMKL-UHFFFAOYSA-N 1 0 218.300 2.286 10 0 in-vivo BEAERO Cc1c2c(ccc1Cl)C[C@@H]1C[NH2+]C[C@@H](C)N21 ZINC000022010586 177597137 /nfs/dbraw/zinc/59/71/37/177597137.db2.gz SZWVUASESVZMCY-LDYMZIIASA-N 1 0 236.746 2.371 10 0 BEAERO CCc1ccc(Cn2cc(C(C)(C)[NH3+])nn2)cc1 ZINC000070118727 487639318 /nfs/dbraw/zinc/63/93/18/487639318.db2.gz XVGLCBUKTHFIHU-UHFFFAOYSA-N 1 0 244.342 2.083 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000232722363 487642006 /nfs/dbraw/zinc/64/20/06/487642006.db2.gz VVZKNUQXLGBMJR-JHJVBQTASA-N 1 0 240.391 2.445 10 0 BEAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCCO1 ZINC000383578732 487642658 /nfs/dbraw/zinc/64/26/58/487642658.db2.gz DSNWQGRCGGIIJL-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO CCOc1ccccc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401571640 225171507 /nfs/dbraw/zinc/17/15/07/225171507.db2.gz FLYRIEMIXZZYBR-JSGCOSHPSA-N 1 0 249.354 2.288 10 0 BEAERO Cc1cccc(COC[C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000503719511 226333199 /nfs/dbraw/zinc/33/31/99/226333199.db2.gz MJRRCRNFHHXCHT-DZGCQCFKSA-N 1 0 246.354 2.296 10 0 BEAERO C[C@@H]1C[C@H](O)C[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000401482528 226358275 /nfs/dbraw/zinc/35/82/75/226358275.db2.gz ATGJDTSLAKKSKL-XBFCOCLRSA-N 1 0 231.339 2.029 10 0 BEAERO COc1cc(C)ccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516278 487652747 /nfs/dbraw/zinc/65/27/47/487652747.db2.gz AHJFLHWEINUXEH-CQSZACIVSA-N 1 0 248.326 2.084 10 0 BEAERO CC[C@H](C)C[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000228491964 487662009 /nfs/dbraw/zinc/66/20/09/487662009.db2.gz KUXSXQXYPMRXIU-QJPTWQEYSA-N 1 0 228.380 2.301 10 0 BEAERO CC[C@@H]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000228491525 487662120 /nfs/dbraw/zinc/66/21/20/487662120.db2.gz WOQIFUMCLMMOFU-FRRDWIJNSA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000228491027 487662146 /nfs/dbraw/zinc/66/21/46/487662146.db2.gz DTVCJQOYAAFIJF-VOAKCMCISA-N 1 0 240.391 2.301 10 0 BEAERO CCC1([NH2+]C[C@@H](O)COC(C)(C)C)CCCC1 ZINC000394611280 262741233 /nfs/dbraw/zinc/74/12/33/262741233.db2.gz TVZJXLHDEYWZJO-GFCCVEGCSA-N 1 0 243.391 2.475 10 0 BEAERO C[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)[NH2+]1 ZINC000306918774 229398136 /nfs/dbraw/zinc/39/81/36/229398136.db2.gz AMKZCSVSSDCKNX-WCQYABFASA-N 1 0 248.326 2.053 10 0 BEAERO C[C@]1(C[NH2+]CC[C@@H]2CCCO2)CCCS1 ZINC000087793336 487687015 /nfs/dbraw/zinc/68/70/15/487687015.db2.gz IXLZTGFOKHHFQK-NWDGAFQWSA-N 1 0 229.389 2.431 10 0 BEAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000097067809 487687560 /nfs/dbraw/zinc/68/75/60/487687560.db2.gz MODIQJJXSKXUDW-ONGXEEELSA-N 1 0 247.273 2.471 10 0 BEAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1C ZINC000097092380 487688042 /nfs/dbraw/zinc/68/80/42/487688042.db2.gz YRQJMOAZDBMHFO-CHWSQXEVSA-N 1 0 246.354 2.475 10 0 BEAERO CC[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)OC ZINC000397006805 262830771 /nfs/dbraw/zinc/83/07/71/262830771.db2.gz CJYGGEKRLPQHAE-MJBXVCDLSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1CC(C)(C)c1ccccc1 ZINC000666720031 487707520 /nfs/dbraw/zinc/70/75/20/487707520.db2.gz IKBJMUDAGLBFNW-GXTWGEPZSA-N 1 0 232.371 2.386 10 0 BEAERO OC1(C[NH+]2CCC3(CCC3)CC2)CCC1 ZINC000671728666 487711325 /nfs/dbraw/zinc/71/13/25/487711325.db2.gz HPHPIRXFIXFDCT-UHFFFAOYSA-N 1 0 209.333 2.168 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000233378968 487713061 /nfs/dbraw/zinc/71/30/61/487713061.db2.gz MRBLSKZEMIEMPS-AVGNSLFASA-N 1 0 240.391 2.302 10 0 BEAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)c(F)c1 ZINC000136307537 487725273 /nfs/dbraw/zinc/72/52/73/487725273.db2.gz UZSYFRRBTMPZQR-LLVKDONJSA-N 1 0 238.306 2.446 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)c1ccc(F)cc1 ZINC000136447431 487735938 /nfs/dbraw/zinc/73/59/38/487735938.db2.gz DNXYMVIVLSTTAF-GFCCVEGCSA-N 1 0 238.306 2.162 10 0 BEAERO CC[C@]1(C)CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000399351684 487745009 /nfs/dbraw/zinc/74/50/09/487745009.db2.gz MISDEYXUVROTCY-WCQYABFASA-N 1 0 226.364 2.008 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CC1=CCCCC1 ZINC000089091286 487760705 /nfs/dbraw/zinc/76/07/05/487760705.db2.gz SRHKUEQLTKXZDA-STQMWFEESA-N 1 0 236.359 2.121 10 0 BEAERO CCC1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000042581984 487761207 /nfs/dbraw/zinc/76/12/07/487761207.db2.gz TWLUODUQOLCZOL-UHFFFAOYSA-N 1 0 238.375 2.214 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ncnc2ccccc21 ZINC000089092390 487761764 /nfs/dbraw/zinc/76/17/64/487761764.db2.gz GUFUQMWWNADRBT-ZYHUDNBSSA-N 1 0 242.326 2.169 10 0 BEAERO CC[C@H]1CN(c2cc(C(C)C)ncn2)CC[C@H]1[NH3+] ZINC000251605938 487775687 /nfs/dbraw/zinc/77/56/87/487775687.db2.gz DIKSJWABMXZYDW-NWDGAFQWSA-N 1 0 248.374 2.164 10 0 BEAERO CC[C@@H]1CN(c2nc(C)c(C)s2)CC[C@H]1[NH3+] ZINC000251660840 487784298 /nfs/dbraw/zinc/78/42/98/487784298.db2.gz HAMGOPRYBYEVQQ-GHMZBOCLSA-N 1 0 239.388 2.324 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCCN(C)C2)o1 ZINC000051724709 487783832 /nfs/dbraw/zinc/78/38/32/487783832.db2.gz SAQTWMQJPIVYOG-LLVKDONJSA-N 1 0 222.332 2.026 10 0 BEAERO Cc1cnc(NC[C@H]2CCCC[NH2+]2)s1 ZINC000107213374 487810983 /nfs/dbraw/zinc/81/09/83/487810983.db2.gz DXRLCWOQIXXZNW-SECBINFHSA-N 1 0 211.334 2.006 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000666466048 487814886 /nfs/dbraw/zinc/81/48/86/487814886.db2.gz KLWQDFLJWVDLTE-CYBMUJFWSA-N 1 0 243.354 2.352 10 0 BEAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089449416 487816384 /nfs/dbraw/zinc/81/63/84/487816384.db2.gz ZIRWPLYJXILNMT-DGCLKSJQSA-N 1 0 238.375 2.153 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000089449484 487816427 /nfs/dbraw/zinc/81/64/27/487816427.db2.gz YOMPRQXJHQOWRJ-CABZTGNLSA-N 1 0 236.290 2.139 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089449763 487816817 /nfs/dbraw/zinc/81/68/17/487816817.db2.gz PYTBRZXSBZKZMM-YPMHNXCESA-N 1 0 232.327 2.309 10 0 BEAERO COc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089449749 487817169 /nfs/dbraw/zinc/81/71/69/487817169.db2.gz MKZCLNCHXQCSQW-MFKMUULPSA-N 1 0 248.326 2.009 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1CCCCC1 ZINC000089450486 487817846 /nfs/dbraw/zinc/81/78/46/487817846.db2.gz XEUOYCVBYPLPRL-QWHCGFSZSA-N 1 0 238.375 2.058 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450467 487817947 /nfs/dbraw/zinc/81/79/47/487817947.db2.gz VWVLZBMXAFWBOE-JHJVBQTASA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000089456569 487819664 /nfs/dbraw/zinc/81/96/64/487819664.db2.gz WIYYTJJLYKAKPV-CHWSQXEVSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000089456216 487819717 /nfs/dbraw/zinc/81/97/17/487819717.db2.gz BPDFORCPYKAGIA-WCQYABFASA-N 1 0 238.375 2.008 10 0 BEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089462867 487823035 /nfs/dbraw/zinc/82/30/35/487823035.db2.gz ZUZDMAPRELCLBC-CYZMBNFOSA-N 1 0 238.375 2.056 10 0 BEAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089461935 487823971 /nfs/dbraw/zinc/82/39/71/487823971.db2.gz PKWFAXRVSIEGOW-NWDGAFQWSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000252684528 487829703 /nfs/dbraw/zinc/82/97/03/487829703.db2.gz GLWJLLBAKLIOBD-CYDGBPFRSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000089747706 487851852 /nfs/dbraw/zinc/85/18/52/487851852.db2.gz HTKZHHBRZINALU-TZMCWYRMSA-N 1 0 246.354 2.254 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCNC1=O ZINC000303377409 487864437 /nfs/dbraw/zinc/86/44/37/487864437.db2.gz ZGRCZOMTXPLHQM-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H](C[N@@H+]1CC[C@@H](CCO)C1)C(C)(C)C ZINC000670264403 487866319 /nfs/dbraw/zinc/86/63/19/487866319.db2.gz BBQSHNKBKFDWTQ-RYUDHWBXSA-N 1 0 213.365 2.373 10 0 BEAERO CCC[C@H](CCO)C[NH2+][C@H]1CCCSC1 ZINC000128307622 322961372 /nfs/dbraw/zinc/96/13/72/322961372.db2.gz VFWOGYMKJGFKQV-NEPJUHHUSA-N 1 0 231.405 2.270 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCN[C@H]1C ZINC000666887472 487897890 /nfs/dbraw/zinc/89/78/90/487897890.db2.gz QWKBORHGOVMIBX-NTZNESFSSA-N 1 0 210.365 2.295 10 0 BEAERO CCCC1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000227432124 487899637 /nfs/dbraw/zinc/89/96/37/487899637.db2.gz QIFVQDIFZPUJNA-RYUDHWBXSA-N 1 0 238.375 2.058 10 0 BEAERO CC(C)[C@H]1CN(c2ncccc2Cl)CC[NH2+]1 ZINC000083367624 487904668 /nfs/dbraw/zinc/90/46/68/487904668.db2.gz GTCDLHNLQUQWHH-LLVKDONJSA-N 1 0 239.750 2.169 10 0 BEAERO CC(C)[C@H]1C[NH2+]CCN1c1ccc(Cl)cn1 ZINC000083367688 487905036 /nfs/dbraw/zinc/90/50/36/487905036.db2.gz AYEQQIAHUIBGGF-LLVKDONJSA-N 1 0 239.750 2.169 10 0 BEAERO C[NH2+]C[C@@H]1CCCN1c1nc(C)cc(C(C)C)n1 ZINC000122607534 487912495 /nfs/dbraw/zinc/91/24/95/487912495.db2.gz LTCAGIMSECVMBE-LBPRGKRZSA-N 1 0 248.374 2.097 10 0 BEAERO CC(C)n1cncc1C[NH2+]CC[C@@H]1CCCO1 ZINC000090208711 487924319 /nfs/dbraw/zinc/92/43/19/487924319.db2.gz VKTSQWHIOPPDOR-ZDUSSCGKSA-N 1 0 237.347 2.123 10 0 BEAERO C[NH2+]Cc1ccccc1CNc1ncc(C)cn1 ZINC000404565823 487927579 /nfs/dbraw/zinc/92/75/79/487927579.db2.gz ASCHYAYCOXLDEJ-UHFFFAOYSA-N 1 0 242.326 2.117 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000229584672 487927779 /nfs/dbraw/zinc/92/77/79/487927779.db2.gz FACCUMLCBBAJBD-BFHYXJOUSA-N 1 0 247.338 2.403 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000211771660 487939765 /nfs/dbraw/zinc/93/97/65/487939765.db2.gz RJFPAYBFRJDHLY-CHWSQXEVSA-N 1 0 240.391 2.446 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1(C)CC1 ZINC000385435134 487941013 /nfs/dbraw/zinc/94/10/13/487941013.db2.gz MWNYRNLIYJZFAR-SDDRHHMPSA-N 1 0 238.375 2.008 10 0 BEAERO c1c(CN[C@H]2CC[NH2+]C2)sc2c1CCCC2 ZINC000567642542 323034429 /nfs/dbraw/zinc/03/44/29/323034429.db2.gz SMRQUAWKDSUXEV-NSHDSACASA-N 1 0 236.384 2.078 10 0 BEAERO C[C@@H](Nc1ccc2n[nH]cc2c1)[C@H]1CCC[NH2+]C1 ZINC000571178275 323137097 /nfs/dbraw/zinc/13/70/97/323137097.db2.gz RTSIENOICOWULB-MNOVXSKESA-N 1 0 244.342 2.363 10 0 BEAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccco1 ZINC000049395440 323160013 /nfs/dbraw/zinc/16/00/13/323160013.db2.gz LCGSKXQWWAYAKY-LBPRGKRZSA-N 1 0 244.294 2.135 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000309075751 323225636 /nfs/dbraw/zinc/22/56/36/323225636.db2.gz KGTYLKVJDVWVFY-NEPJUHHUSA-N 1 0 211.349 2.437 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000309075753 323225683 /nfs/dbraw/zinc/22/56/83/323225683.db2.gz KGTYLKVJDVWVFY-RYUDHWBXSA-N 1 0 211.349 2.437 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCN[C@H]1C)C1CCCC1 ZINC000396646586 323435684 /nfs/dbraw/zinc/43/56/84/323435684.db2.gz CHESCNUPURHXCY-GVXVVHGQSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN[C@H]1C ZINC000396709919 323653325 /nfs/dbraw/zinc/65/33/25/323653325.db2.gz OXJMJALYXUSVLY-MROQNXINSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccco1 ZINC000396731733 323657077 /nfs/dbraw/zinc/65/70/77/323657077.db2.gz YZFHNUFLWYDRBQ-GARJFASQSA-N 1 0 208.305 2.071 10 0 BEAERO COCCn1ccnc1[C@@H]1[NH2+]CC12CCCCC2 ZINC000536953262 323960765 /nfs/dbraw/zinc/96/07/65/323960765.db2.gz GSXNRMNPCJKXKS-LBPRGKRZSA-N 1 0 249.358 2.124 10 0 BEAERO CN(C)c1ccc([C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)cc1 ZINC000536956016 323966228 /nfs/dbraw/zinc/96/62/28/323966228.db2.gz SUULOWFOZXNGHD-KWCYVHTRSA-N 1 0 216.328 2.076 10 0 BEAERO CC(C)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C1CC1 ZINC000122284653 324037348 /nfs/dbraw/zinc/03/73/48/324037348.db2.gz PYDGSPYVRZWGLB-AWEZNQCLSA-N 1 0 246.354 2.310 10 0 BEAERO C[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CCS1 ZINC000122514587 324047290 /nfs/dbraw/zinc/04/72/90/324047290.db2.gz PMMPUHWTCBTZBZ-JTQLQIEISA-N 1 0 245.388 2.156 10 0 BEAERO COCc1cccc(N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400783513 324168936 /nfs/dbraw/zinc/16/89/36/324168936.db2.gz QBICPSNVEBHMJK-AAEUAGOBSA-N 1 0 234.343 2.243 10 0 BEAERO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc(F)cc1 ZINC000125611917 324645433 /nfs/dbraw/zinc/64/54/33/324645433.db2.gz BZVOEZMNVLFVKZ-LLVKDONJSA-N 1 0 248.305 2.158 10 0 BEAERO C[C@@H]1C[NH+]([C@@H]2CCCC[C@@H]2O)C[C@@H](C)S1 ZINC000069908966 324985344 /nfs/dbraw/zinc/98/53/44/324985344.db2.gz XJAIIBVTGLXMMD-KKOKHZNYSA-N 1 0 229.389 2.116 10 0 BEAERO Cn1c(C[NH2+]C(C)(C)C)nc2ccccc21 ZINC000070162440 324996103 /nfs/dbraw/zinc/99/61/03/324996103.db2.gz FEYZLGUSPLWZQK-UHFFFAOYSA-N 1 0 217.316 2.461 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccoc1 ZINC000130982793 325106411 /nfs/dbraw/zinc/10/64/11/325106411.db2.gz CKWRXXPGSNFDCG-NSHDSACASA-N 1 0 223.316 2.483 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CC2(O)CCC2)CC1 ZINC000131121916 325119012 /nfs/dbraw/zinc/11/90/12/325119012.db2.gz GGZVMXMHNQUMSP-NEPJUHHUSA-N 1 0 211.349 2.460 10 0 BEAERO CC(C)[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000132141445 325201058 /nfs/dbraw/zinc/20/10/58/325201058.db2.gz YSAAMISNZSUTSY-OLZOCXBDSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)nc1 ZINC000134349561 325354923 /nfs/dbraw/zinc/35/49/23/325354923.db2.gz XDCOLQGWTCPNMU-OCCSQVGLSA-N 1 0 234.343 2.031 10 0 BEAERO C[C@H]([NH2+]CCc1cscn1)c1cncs1 ZINC000134854142 325379361 /nfs/dbraw/zinc/37/93/61/325379361.db2.gz ILKKQTWGMIMEFG-QMMMGPOBSA-N 1 0 239.369 2.493 10 0 BEAERO CC[C@H](CCO)[NH2+]Cc1ccnc2ccccc12 ZINC000134985980 325386369 /nfs/dbraw/zinc/38/63/69/325386369.db2.gz CQQJCNHJHYMIFI-CYBMUJFWSA-N 1 0 244.338 2.485 10 0 BEAERO CCCC[C@@H](CC)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079519495 325458004 /nfs/dbraw/zinc/45/80/04/325458004.db2.gz GUDZXAOOCIRBHZ-OCCSQVGLSA-N 1 0 240.391 2.461 10 0 BEAERO CCCCOC[C@H](O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000248660834 325616777 /nfs/dbraw/zinc/61/67/77/325616777.db2.gz WMZAOPVXDZOXTF-JHJVBQTASA-N 1 0 229.364 2.037 10 0 BEAERO OC1CC(C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000091524271 325687321 /nfs/dbraw/zinc/68/73/21/325687321.db2.gz OXZOVKUCJPUZOE-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO CCCN(C(=O)C1CC(C)C1)C1CC[NH2+]CC1 ZINC000566200155 326011680 /nfs/dbraw/zinc/01/16/80/326011680.db2.gz CXOFFUWSXVXBNN-UHFFFAOYSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)[C@@H](NC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000083957785 487972727 /nfs/dbraw/zinc/97/27/27/487972727.db2.gz ZHERTTVFBXWCOX-WXRRBKDZSA-N 1 0 238.375 2.055 10 0 BEAERO Cc1ccc2[nH]c3c(c2c1)CN(CCC[NH3+])CC3 ZINC000060040781 487996319 /nfs/dbraw/zinc/99/63/19/487996319.db2.gz DDNILCXXOUJIMX-UHFFFAOYSA-N 1 0 243.354 2.183 10 0 BEAERO Cc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)c(Cl)c1 ZINC000235649346 487998701 /nfs/dbraw/zinc/99/87/01/487998701.db2.gz ZCLMLIGHZHZRPU-GWCFXTLKSA-N 1 0 238.762 2.427 10 0 BEAERO COC[C@H](C)C[NH2+][C@H]1CCOc2ccccc21 ZINC000045656781 488014727 /nfs/dbraw/zinc/01/47/27/488014727.db2.gz LPBMARROGFGIBO-YPMHNXCESA-N 1 0 235.327 2.382 10 0 BEAERO CCO[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000310126760 488017756 /nfs/dbraw/zinc/01/77/56/488017756.db2.gz JJZKLOKCMDKTHA-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)c1nsc(N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084212835 488037458 /nfs/dbraw/zinc/03/74/58/488037458.db2.gz DCTARCQCFGUFAV-DTWKUNHWSA-N 1 0 240.376 2.201 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccsc1 ZINC000306939510 533718794 /nfs/dbraw/zinc/71/87/94/533718794.db2.gz GXOARPZSPXUDBP-GXSJLCMTSA-N 1 0 211.330 2.093 10 0 BEAERO Cn1nccc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000236094411 488041185 /nfs/dbraw/zinc/04/11/85/488041185.db2.gz REVIZSWJFQNJDL-LBPRGKRZSA-N 1 0 213.284 2.033 10 0 BEAERO Cn1nccc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000236094428 488041212 /nfs/dbraw/zinc/04/12/12/488041212.db2.gz REVIZSWJFQNJDL-GFCCVEGCSA-N 1 0 213.284 2.033 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000052395682 488055305 /nfs/dbraw/zinc/05/53/05/488055305.db2.gz XPFXLFUUKITHGT-GHMZBOCLSA-N 1 0 234.343 2.034 10 0 BEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548516 488056799 /nfs/dbraw/zinc/05/67/99/488056799.db2.gz CAXIYXVXYXZYNA-AGIUHOORSA-N 1 0 246.354 2.300 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000123950172 488078456 /nfs/dbraw/zinc/07/84/56/488078456.db2.gz DJSGGNSFTVGFSG-OAHLLOKOSA-N 1 0 241.338 2.469 10 0 BEAERO Nc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000075877845 488084209 /nfs/dbraw/zinc/08/42/09/488084209.db2.gz SEUPHEJBIVLUIA-UHFFFAOYSA-N 1 0 231.324 2.038 10 0 BEAERO [NH3+]Cc1cccc(NC(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000667727184 488102368 /nfs/dbraw/zinc/10/23/68/488102368.db2.gz YSPDCRIXOLWVOK-DGCLKSJQSA-N 1 0 245.326 2.162 10 0 BEAERO CC(=O)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136434837 488102536 /nfs/dbraw/zinc/10/25/36/488102536.db2.gz CMLVJIRZBBIUEP-CYBMUJFWSA-N 1 0 248.326 2.201 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000136440060 488102663 /nfs/dbraw/zinc/10/26/63/488102663.db2.gz ASQPQUCHQSOUCQ-UPJWGTAASA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)c1ccccc1 ZINC000136437406 488102684 /nfs/dbraw/zinc/10/26/84/488102684.db2.gz WVRNJUBLINNSKC-GXTWGEPZSA-N 1 0 248.370 2.280 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)C1CCCCC1 ZINC000136451573 488103632 /nfs/dbraw/zinc/10/36/32/488103632.db2.gz RGYVHQSKLFOWPB-DGCLKSJQSA-N 1 0 240.391 2.445 10 0 BEAERO CCC1(CC)CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000136489380 488106078 /nfs/dbraw/zinc/10/60/78/488106078.db2.gz UUZPDIDMMSMGGB-GFCCVEGCSA-N 1 0 240.391 2.399 10 0 BEAERO CC[C@H](C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)OC ZINC000397006803 487536598 /nfs/dbraw/zinc/53/65/98/487536598.db2.gz CJYGGEKRLPQHAE-MCIONIFRSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)OC ZINC000397006802 487537000 /nfs/dbraw/zinc/53/70/00/487537000.db2.gz CJYGGEKRLPQHAE-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCC1CCC1 ZINC000398491965 488122595 /nfs/dbraw/zinc/12/25/95/488122595.db2.gz YRSPHAJUNVFSRJ-CYBMUJFWSA-N 1 0 211.349 2.414 10 0 BEAERO C([C@@H]1CC[C@H]2C[C@H]2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000403234104 488127224 /nfs/dbraw/zinc/12/72/24/488127224.db2.gz PFCZNQLPEYXRTH-LXTVHRRPSA-N 1 0 234.387 2.203 10 0 BEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])o1)C1CCCC1 ZINC000094572241 487545406 /nfs/dbraw/zinc/54/54/06/487545406.db2.gz PEWVDIADLAOPOX-SECBINFHSA-N 1 0 236.315 2.047 10 0 BEAERO C[C@H](NC(=O)c1ccc(C[NH3+])o1)C1CCCC1 ZINC000094572240 487545538 /nfs/dbraw/zinc/54/55/38/487545538.db2.gz PEWVDIADLAOPOX-VIFPVBQESA-N 1 0 236.315 2.047 10 0 BEAERO CC(C)[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)C1CC1 ZINC000324195400 487553999 /nfs/dbraw/zinc/55/39/99/487553999.db2.gz XIMACSCRYXTBRY-JSGCOSHPSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H](C)CO1 ZINC000403857811 488140731 /nfs/dbraw/zinc/14/07/31/488140731.db2.gz VGJUOIJGDHQAMF-YIYPIFLZSA-N 1 0 241.375 2.037 10 0 BEAERO CCN(CC)C[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000061589430 487477072 /nfs/dbraw/zinc/47/70/72/487477072.db2.gz MHNHTTGTHMDZTR-NEPJUHHUSA-N 1 0 230.421 2.202 10 0 BEAERO Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1O ZINC000093654649 487481197 /nfs/dbraw/zinc/48/11/97/487481197.db2.gz UXWQMINZBAUBID-LLVKDONJSA-N 1 0 248.326 2.029 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cn1 ZINC000062053011 487491417 /nfs/dbraw/zinc/49/14/17/487491417.db2.gz CMTOJPXPTXBGQQ-ZIAGYGMSSA-N 1 0 234.343 2.173 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C3CC3)C2)C1 ZINC000399997720 487499272 /nfs/dbraw/zinc/49/92/72/487499272.db2.gz LLXQPHIQXSUCRS-FPMFFAJLSA-N 1 0 223.360 2.269 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CC)[C@H](C)CC ZINC000300229482 487505081 /nfs/dbraw/zinc/50/50/81/487505081.db2.gz XELFYEMNPINLHV-OLZOCXBDSA-N 1 0 231.380 2.284 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304619505 487512330 /nfs/dbraw/zinc/51/23/30/487512330.db2.gz SXJUGGUCAQYRLN-QNSTZXKLSA-N 1 0 223.360 2.316 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304528123 487510550 /nfs/dbraw/zinc/51/05/50/487510550.db2.gz GIKJYAXRIRXBMW-MQLXINIDSA-N 1 0 223.360 2.316 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)CC1([NH3+])CCC1 ZINC000135283235 487586038 /nfs/dbraw/zinc/58/60/38/487586038.db2.gz GNUSMBVUCMTMTM-LBPRGKRZSA-N 1 0 238.375 2.439 10 0 BEAERO C[C@@H]1CSCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000379465431 488138276 /nfs/dbraw/zinc/13/82/76/488138276.db2.gz IBZZHZYMYQGSRB-RWMBFGLXSA-N 1 0 243.416 2.222 10 0 BEAERO CC[C@H]([NH2+]C1CCC(O)CC1)[C@@H]1C[C@@H]1C ZINC000322045768 488167124 /nfs/dbraw/zinc/16/71/24/488167124.db2.gz ORRRZJNVQLQWMW-NVNOCSQKSA-N 1 0 211.349 2.314 10 0 BEAERO CO[C@]1(C)CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000380036183 488168379 /nfs/dbraw/zinc/16/83/79/488168379.db2.gz HVHWZVMAOUAQNF-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H](C[NH2+]Cc1cccc2cnccc21)N(C)C ZINC000061125427 488171972 /nfs/dbraw/zinc/17/19/72/488171972.db2.gz DBXIJYFAQTXZMY-GFCCVEGCSA-N 1 0 243.354 2.275 10 0 BEAERO CCc1csc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000250258976 488175607 /nfs/dbraw/zinc/17/56/07/488175607.db2.gz AJYUQDFLIQHCIB-GXSJLCMTSA-N 1 0 239.388 2.269 10 0 BEAERO COC[C@H](C)[NH2+]CCCCOC(C)(C)C ZINC000380306338 488185182 /nfs/dbraw/zinc/18/51/82/488185182.db2.gz FRWNUQRCRIPPSH-NSHDSACASA-N 1 0 217.353 2.206 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccnc2ccccc12 ZINC000310675720 488187780 /nfs/dbraw/zinc/18/77/80/488187780.db2.gz JHRGAPPIPKEQSN-SMDDNHRTSA-N 1 0 241.338 2.156 10 0 BEAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@@H]1CCCO1 ZINC000655688143 488189351 /nfs/dbraw/zinc/18/93/51/488189351.db2.gz NCNIKASUZDSTLD-WYUUTHIRSA-N 1 0 229.389 2.428 10 0 BEAERO [NH3+]C1(CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000398071018 488207710 /nfs/dbraw/zinc/20/77/10/488207710.db2.gz MDQFVILQPDUTMY-ZDUSSCGKSA-N 1 0 244.338 2.062 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)CC2([NH3+])CC2)c(C)c1 ZINC000398171217 488213555 /nfs/dbraw/zinc/21/35/55/488213555.db2.gz OSFBMGFFRANHJJ-GFCCVEGCSA-N 1 0 246.354 2.362 10 0 BEAERO CCN(C(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1C ZINC000019410783 488229055 /nfs/dbraw/zinc/22/90/55/488229055.db2.gz IZZFYLHYGZVGES-CYBMUJFWSA-N 1 0 246.354 2.348 10 0 BEAERO CC[C@H](C)N(CC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290744 488235573 /nfs/dbraw/zinc/23/55/73/488235573.db2.gz OEFMQFVOHCBHLP-NWDGAFQWSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@H](C)N(CC)C(=O)c1ccc(C[NH3+])cc1 ZINC000037112134 488245454 /nfs/dbraw/zinc/24/54/54/488245454.db2.gz KTPAKWQHZBCBBI-NSHDSACASA-N 1 0 234.343 2.406 10 0 BEAERO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1nccs1 ZINC000129282148 490049570 /nfs/dbraw/zinc/04/95/70/490049570.db2.gz URIMZPVJJNJITM-VHSXEESVSA-N 1 0 227.377 2.167 10 0 BEAERO CC(C)[C@H]([NH3+])CCN[C@H](C)c1nccs1 ZINC000129282571 490051381 /nfs/dbraw/zinc/05/13/81/490051381.db2.gz URIMZPVJJNJITM-NXEZZACHSA-N 1 0 227.377 2.167 10 0 BEAERO CC[C@@H]1C[C@@H](C)CN1C(=O)C1CCC([NH3+])CC1 ZINC000399576067 490097500 /nfs/dbraw/zinc/09/75/00/490097500.db2.gz JQGTXCNUUZJNNQ-IKWCTNDRSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(=O)N2)CC(C)(C)C1 ZINC000079929029 490128433 /nfs/dbraw/zinc/12/84/33/490128433.db2.gz ZKMBYTQHEINJPA-SRVKXCTJSA-N 1 0 238.375 2.069 10 0 BEAERO CCC1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000227427568 490168875 /nfs/dbraw/zinc/16/88/75/490168875.db2.gz OLTHGJRCNNDLHG-NWDGAFQWSA-N 1 0 238.375 2.058 10 0 BEAERO Cc1c(-c2ccc3c(c2)CC[C@H]3[NH3+])cnn1C ZINC000235975380 490185324 /nfs/dbraw/zinc/18/53/24/490185324.db2.gz MMMCSGFRTQIFBW-CQSZACIVSA-N 1 0 227.311 2.342 10 0 BEAERO CNc1cc(C)[nH+]c(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000074934149 490309759 /nfs/dbraw/zinc/30/97/59/490309759.db2.gz JNDLNSYUYIZWDP-AOOOYVTPSA-N 1 0 234.347 2.309 10 0 BEAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ncc[nH]1 ZINC000124755470 490401797 /nfs/dbraw/zinc/40/17/97/490401797.db2.gz GSWWBRRLOOYXJR-VWYCJHECSA-N 1 0 223.320 2.018 10 0 BEAERO CC(C)C[C@@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000124781694 490402925 /nfs/dbraw/zinc/40/29/25/490402925.db2.gz GQNIOFUENQTYAD-LBPRGKRZSA-N 1 0 219.332 2.345 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)[NH2+]1 ZINC000308316915 490406192 /nfs/dbraw/zinc/40/61/92/490406192.db2.gz GNDMYZBKBJRDSQ-KXUCPTDWSA-N 1 0 213.321 2.105 10 0 BEAERO COc1cc(C)nc(C[NH2+]CCC2CC2)c1 ZINC000125965853 490475972 /nfs/dbraw/zinc/47/59/72/490475972.db2.gz MOEITXKCIMGMDW-UHFFFAOYSA-N 1 0 220.316 2.288 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217677023 490480296 /nfs/dbraw/zinc/48/02/96/490480296.db2.gz OGVJNBPEFGIYDB-JHJVBQTASA-N 1 0 237.343 2.494 10 0 BEAERO Cc1ccncc1CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000123852643 490489068 /nfs/dbraw/zinc/48/90/68/490489068.db2.gz LVDYMKQQVZGDGA-OAHLLOKOSA-N 1 0 247.386 2.352 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)CC2CCC2)c1 ZINC000127258821 490541913 /nfs/dbraw/zinc/54/19/13/490541913.db2.gz SEKHDUCDZMLDRM-LBPRGKRZSA-N 1 0 221.348 2.360 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cncc(F)c1 ZINC000300412252 490559971 /nfs/dbraw/zinc/55/99/71/490559971.db2.gz SKILEEPJFKPODK-BIMULSAOSA-N 1 0 238.306 2.175 10 0 BEAERO C[C@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000127973325 490568013 /nfs/dbraw/zinc/56/80/13/490568013.db2.gz QZPWMFYNXHXXAS-GFCCVEGCSA-N 1 0 233.359 2.169 10 0 BEAERO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cncnc2)C1 ZINC000128188749 490575021 /nfs/dbraw/zinc/57/50/21/490575021.db2.gz APGWNHIOGYGCNL-NEPJUHHUSA-N 1 0 219.332 2.487 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](c2ccc(N)cc2)C1 ZINC000220072752 490614262 /nfs/dbraw/zinc/61/42/62/490614262.db2.gz RUPRSBUTMDJAGQ-LBPRGKRZSA-N 1 0 204.317 2.467 10 0 BEAERO c1ncc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cn1 ZINC000131311630 490630964 /nfs/dbraw/zinc/63/09/64/490630964.db2.gz QOXGOFCNUFCHOP-QWHCGFSZSA-N 1 0 249.383 2.337 10 0 BEAERO CCC[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000131452953 490639290 /nfs/dbraw/zinc/63/92/90/490639290.db2.gz MWPXTTLPVTVBAD-GFCCVEGCSA-N 1 0 219.332 2.489 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000227160755 491055343 /nfs/dbraw/zinc/05/53/43/491055343.db2.gz KPMYVVMRCIJKHQ-WCFLWFBJSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccoc1 ZINC000227301182 491057068 /nfs/dbraw/zinc/05/70/68/491057068.db2.gz ZOIJDNSPYHECRJ-MVWJERBFSA-N 1 0 209.289 2.234 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CO)cc1F ZINC000087284311 491067400 /nfs/dbraw/zinc/06/74/00/491067400.db2.gz FCDFBGIMYRRPMX-ONGXEEELSA-N 1 0 225.307 2.413 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000308825879 491049012 /nfs/dbraw/zinc/04/90/12/491049012.db2.gz DQTNOVBVKIPJQK-KGYLQXTDSA-N 1 0 211.349 2.458 10 0 BEAERO Cc1ccncc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226831134 491051865 /nfs/dbraw/zinc/05/18/65/491051865.db2.gz MRTZNCSTGMNMGI-NWDGAFQWSA-N 1 0 219.332 2.285 10 0 BEAERO COC[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336727371 491109096 /nfs/dbraw/zinc/10/90/96/491109096.db2.gz CQHZOWQEYKFYAG-FRRDWIJNSA-N 1 0 229.364 2.205 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc(C)c1O ZINC000089162247 491109537 /nfs/dbraw/zinc/10/95/37/491109537.db2.gz ZUCCPNXJJVRVGV-KBPBESRZSA-N 1 0 249.354 2.260 10 0 BEAERO [NH3+]Cc1cccc2[nH]c(C(F)(F)F)nc21 ZINC000076214090 491125212 /nfs/dbraw/zinc/12/52/12/491125212.db2.gz DTUFZVUAYIOVSM-UHFFFAOYSA-N 1 0 215.178 2.040 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ncc(C)s2)C1 ZINC000309030407 491142624 /nfs/dbraw/zinc/14/26/24/491142624.db2.gz DHIZXVZRYWDFJG-PSASIEDQSA-N 1 0 225.361 2.204 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CCSCC1 ZINC000309550564 491151159 /nfs/dbraw/zinc/15/11/59/491151159.db2.gz ICOZMMQAQGYLKL-WCFLWFBJSA-N 1 0 243.416 2.411 10 0 BEAERO CCCCC[N@H+](C)C[C@@H](O)c1cccc(N)c1 ZINC000001851778 520151899 /nfs/dbraw/zinc/15/18/99/520151899.db2.gz MXUBNUMMIHAQBF-CQSZACIVSA-N 1 0 236.359 2.424 10 0 BEAERO C[C@H]1[NH2+]CCC[C@]12CCC[N@@H+]2CC1CC1 ZINC000757126570 582501662 /nfs/dbraw/zinc/50/16/62/582501662.db2.gz GCQOXTAZGKOREY-YPMHNXCESA-N 1 0 208.349 2.003 10 0 BEAERO FC(F)[C@H]1CC[NH2+]C2(CCCCC2)O1 ZINC000757138294 582517365 /nfs/dbraw/zinc/51/73/65/582517365.db2.gz BENXWCUUEUAMJU-MRVPVSSYSA-N 1 0 205.248 2.290 10 0 BEAERO CC[C@H]1CC[NH2+]C2(CC(CF)(CF)C2)O1 ZINC000757138345 582517499 /nfs/dbraw/zinc/51/74/99/582517499.db2.gz BUIFEYBHURVOHP-VIFPVBQESA-N 1 0 219.275 2.190 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757139167 582519933 /nfs/dbraw/zinc/51/99/33/582519933.db2.gz FRRTVLDELLINNE-NXEZZACHSA-N 1 0 231.286 2.190 10 0 BEAERO CC(C)[C@H]1O[C@]2(CCSC2)[NH2+]CC1(C)C ZINC000757143173 582523306 /nfs/dbraw/zinc/52/33/06/582523306.db2.gz MEMDGRCPBUHCCL-PWSUYJOCSA-N 1 0 229.389 2.490 10 0 BEAERO [NH3+]C[C@H]1CCN1Cc1cccc(Cl)c1F ZINC000757148013 582531765 /nfs/dbraw/zinc/53/17/65/582531765.db2.gz VNHPFZZDFPATSP-SECBINFHSA-N 1 0 228.698 2.012 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+][C@]2(COC(C)(C)C2)OC1 ZINC000757148878 582532869 /nfs/dbraw/zinc/53/28/69/582532869.db2.gz OBKPNQBZWLFAFL-MFKMUULPSA-N 1 0 227.348 2.164 10 0 BEAERO CCC1(CC)CC[NH2+][C@]2(COC(C)(C)C2)O1 ZINC000757150230 582534214 /nfs/dbraw/zinc/53/42/14/582534214.db2.gz XICMVVCJNYCKTN-ZDUSSCGKSA-N 1 0 227.348 2.450 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+]C2(CCSCC2)OC1 ZINC000757151840 582536326 /nfs/dbraw/zinc/53/63/26/582536326.db2.gz RNSJEUDPHVGRBQ-JTQLQIEISA-N 1 0 229.389 2.492 10 0 BEAERO CCC[C@H]1CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757153881 582538580 /nfs/dbraw/zinc/53/85/80/582538580.db2.gz YGFCUTVDFWEXKB-ZDUSSCGKSA-N 1 0 238.375 2.120 10 0 BEAERO Cc1cc(C[C@H](O)[C@H](C)C[NH3+])ccc1Cl ZINC000757159660 582540900 /nfs/dbraw/zinc/54/09/00/582540900.db2.gz PUJAXSLPXPFDDB-SKDRFNHKSA-N 1 0 227.735 2.147 10 0 BEAERO CCc1ccc(CS[C@H](C[NH3+])COC)o1 ZINC000757167591 582548681 /nfs/dbraw/zinc/54/86/81/582548681.db2.gz XNFOEBSUXGUTNV-LLVKDONJSA-N 1 0 229.345 2.049 10 0 BEAERO CCO[C@H](C[NH3+])c1cscc1Cl ZINC000757166127 582548058 /nfs/dbraw/zinc/54/80/58/582548058.db2.gz UNAWAQJAYOJUHH-MRVPVSSYSA-N 1 0 205.710 2.438 10 0 BEAERO C[C@@H]1Oc2ccc(C(F)(F)F)cc2[C@@H]1[NH3+] ZINC000757176071 582552229 /nfs/dbraw/zinc/55/22/29/582552229.db2.gz ZIMGLRZZTDNXFQ-SSDLBLMSSA-N 1 0 217.190 2.486 10 0 BEAERO C[C@H](N[C@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400443413 534009140 /nfs/dbraw/zinc/00/91/40/534009140.db2.gz OWJPPHQJXHGZSZ-YUTCNCBUSA-N 1 0 246.354 2.240 10 0 BEAERO COc1cc(F)ccc1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400479769 534026240 /nfs/dbraw/zinc/02/62/40/534026240.db2.gz FFRPUVGEKAXSSM-NXEZZACHSA-N 1 0 238.306 2.244 10 0 BEAERO C[NH2+][C@@H](c1ccoc1)c1ccc2c(c1)OCCO2 ZINC000035469627 517975379 /nfs/dbraw/zinc/97/53/79/517975379.db2.gz ADNQYKQIROBYAO-CQSZACIVSA-N 1 0 245.278 2.360 10 0 BEAERO Cc1cc(C)n(Cc2ccccc2C[NH3+])n1 ZINC000022212721 518187009 /nfs/dbraw/zinc/18/70/09/518187009.db2.gz MTVMYQUUSDZTJK-UHFFFAOYSA-N 1 0 215.300 2.007 10 0 BEAERO Cc1cccc([C@H]2CC[C@@H](C[NH3+])OC2)c1 ZINC000536959060 518190711 /nfs/dbraw/zinc/19/07/11/518190711.db2.gz WOZLPPBNDLWQGR-STQMWFEESA-N 1 0 205.301 2.216 10 0 BEAERO CCC[N@@H+]1CC[C@@H](CC(=O)OCC)C[C@H]1C ZINC000242473346 519861294 /nfs/dbraw/zinc/86/12/94/519861294.db2.gz FGVINUJADVDVQD-VXGBXAGGSA-N 1 0 227.348 2.450 10 0 BEAERO CCCC[NH2+]Cc1nc([C@H](C)CC)no1 ZINC000057340847 520694558 /nfs/dbraw/zinc/69/45/58/520694558.db2.gz ZKADPXOKTUGHMN-SECBINFHSA-N 1 0 211.309 2.473 10 0 BEAERO CCC(CC)[C@@H]([NH3+])c1noc(C(F)F)n1 ZINC000095532873 521604294 /nfs/dbraw/zinc/60/42/94/521604294.db2.gz VIUMCSMVIXWWPE-ZCFIWIBFSA-N 1 0 219.235 2.443 10 0 BEAERO C[NH2+]Cc1cc(N2CCC[C@@H](C)C2)ccn1 ZINC000051399934 536468921 /nfs/dbraw/zinc/46/89/21/536468921.db2.gz UEHJQANRDNAUFK-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO COC(C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1)OC ZINC000248714410 536509072 /nfs/dbraw/zinc/50/90/72/536509072.db2.gz KDYBFBBPBPFDDT-BXUZGUMPSA-N 1 0 235.327 2.298 10 0 BEAERO CC(=O)Nc1ccc(N[C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400706791 527015101 /nfs/dbraw/zinc/01/51/01/527015101.db2.gz LGKWMOUNVGZLEV-ZYHUDNBSSA-N 1 0 247.342 2.055 10 0 BEAERO CC(C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)=C1CCCC1 ZINC000185142273 534962043 /nfs/dbraw/zinc/96/20/43/534962043.db2.gz SAIOZOCATHANCI-MJBXVCDLSA-N 1 0 248.370 2.073 10 0 BEAERO CC1(C)[C@H]([NH2+]CCc2ccco2)[C@@H]2CCO[C@H]21 ZINC000227064550 535071701 /nfs/dbraw/zinc/07/17/01/535071701.db2.gz XRKYGLHRWKHJPG-YNEHKIRRSA-N 1 0 235.327 2.225 10 0 BEAERO CC(C)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252475927 535133041 /nfs/dbraw/zinc/13/30/41/535133041.db2.gz NMOYPMNQAPYZNO-STQMWFEESA-N 1 0 211.349 2.269 10 0 BEAERO CC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000224739744 535157418 /nfs/dbraw/zinc/15/74/18/535157418.db2.gz SMCSFWIWJYVJKX-AXFHLTTASA-N 1 0 209.333 2.190 10 0 BEAERO CCC[NH2+]CCCN1CCN(C)c2ccccc21 ZINC000104277680 535157410 /nfs/dbraw/zinc/15/74/10/535157410.db2.gz RAPOTEZJEYNLDO-UHFFFAOYSA-N 1 0 247.386 2.333 10 0 BEAERO CC1(C)CN(c2nc3ccccc3[nH]2)CC[C@H]1[NH3+] ZINC000261557371 535360108 /nfs/dbraw/zinc/36/01/08/535360108.db2.gz COLWICIKSQVESG-GFCCVEGCSA-N 1 0 244.342 2.127 10 0 BEAERO CC(C)c1cc(NN)[nH+]c(N2CCC(C)CC2)n1 ZINC000057331587 535369949 /nfs/dbraw/zinc/36/99/49/535369949.db2.gz SSJPAMHFWJDGTB-UHFFFAOYSA-N 1 0 249.362 2.122 10 0 BEAERO CCOc1cccc(N2CCCC[C@@H]2CC[NH3+])n1 ZINC000070533434 535466970 /nfs/dbraw/zinc/46/69/70/535466970.db2.gz XYEIVPRBJPMSCB-GFCCVEGCSA-N 1 0 249.358 2.188 10 0 BEAERO CC[NH2+]Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000051435698 535478814 /nfs/dbraw/zinc/47/88/14/535478814.db2.gz IMBSJLRIEYLBIR-RYUDHWBXSA-N 1 0 248.374 2.068 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCn1cccn1 ZINC000252764131 535495000 /nfs/dbraw/zinc/49/50/00/535495000.db2.gz HSRBXDVDEPONEJ-JHJVBQTASA-N 1 0 221.348 2.440 10 0 BEAERO CC[NH2+][C@H](C)c1ccccc1N1CCOCC1 ZINC000034837325 535516230 /nfs/dbraw/zinc/51/62/30/535516230.db2.gz WWAVYARWSAFGAJ-GFCCVEGCSA-N 1 0 234.343 2.194 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccnc2)C1 ZINC000249613329 535541047 /nfs/dbraw/zinc/54/10/47/535541047.db2.gz JIIISOGSMPUZSM-TZMCWYRMSA-N 1 0 233.359 2.217 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCC(C)C ZINC000177027392 535544856 /nfs/dbraw/zinc/54/48/56/535544856.db2.gz CLLCTXQIFPUUAO-CYBMUJFWSA-N 1 0 240.391 2.365 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)CC ZINC000177039681 535545364 /nfs/dbraw/zinc/54/53/64/535545364.db2.gz HIDHTVQONFGYNW-GFCCVEGCSA-N 1 0 240.391 2.365 10 0 BEAERO CC[C@@H]([NH2+]CCn1cncn1)c1cccs1 ZINC000167008399 535804368 /nfs/dbraw/zinc/80/43/68/535804368.db2.gz SEORCXXZXHPJEO-SNVBAGLBSA-N 1 0 236.344 2.081 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000251683240 535824700 /nfs/dbraw/zinc/82/47/00/535824700.db2.gz PKZKULUKLBDYCT-AGIUHOORSA-N 1 0 222.376 2.391 10 0 BEAERO CC[C@@]1(C)CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000335976928 536044585 /nfs/dbraw/zinc/04/45/85/536044585.db2.gz XHTLBUGBFUDFSF-UONOGXRCSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000070643462 536094304 /nfs/dbraw/zinc/09/43/04/536094304.db2.gz IQDMWKWRBCJLMN-CMPLNLGQSA-N 1 0 207.321 2.386 10 0 BEAERO CCc1ccc(N2CC[NH2+]C[C@@H]2CC)cc1 ZINC000016945088 536184980 /nfs/dbraw/zinc/18/49/80/536184980.db2.gz QBYLAJAJLLUELV-ZDUSSCGKSA-N 1 0 218.344 2.437 10 0 BEAERO C[NH2+][C@@H](C)Cc1noc(C[C@@H](C)C(C)(C)C)n1 ZINC000261882096 536349341 /nfs/dbraw/zinc/34/93/41/536349341.db2.gz WLTSJKJVOZCTJW-ZJUUUORDSA-N 1 0 239.363 2.445 10 0 BEAERO C[NH2+][C@@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533120 536375177 /nfs/dbraw/zinc/37/51/77/536375177.db2.gz XLVTXGHAYRSXDD-WDEREUQCSA-N 1 0 232.318 2.106 10 0 BEAERO COC1(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CCC1 ZINC000336187007 536628968 /nfs/dbraw/zinc/62/89/68/536628968.db2.gz KQLRZAYCBRPOBX-QWHCGFSZSA-N 1 0 239.359 2.199 10 0 BEAERO COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000351729048 536651558 /nfs/dbraw/zinc/65/15/58/536651558.db2.gz CDHKORLCDUSSJI-SRVKXCTJSA-N 1 0 225.332 2.058 10 0 BEAERO COc1ccc(C)cc1N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000071544822 536810414 /nfs/dbraw/zinc/81/04/14/536810414.db2.gz CODPSRBHZLPPOY-NEPJUHHUSA-N 1 0 234.343 2.190 10 0 BEAERO COc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1F ZINC000083366181 536832277 /nfs/dbraw/zinc/83/22/77/536832277.db2.gz XGRGNQDAJWYOHZ-UWVGGRQHSA-N 1 0 238.306 2.021 10 0 BEAERO COc1ccc(C(=O)C[C@H]2CCC[NH2+]2)cc1OC ZINC000000899059 560179313 /nfs/dbraw/zinc/17/93/13/560179313.db2.gz TYXKSMFICLVQCO-LLVKDONJSA-N 1 0 249.310 2.029 10 0 in-vitro BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccoc1 ZINC000247998917 566407558 /nfs/dbraw/zinc/40/75/58/566407558.db2.gz KEOVCKSRYQVWOG-GMXVVIOVSA-N 1 0 223.316 2.481 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H]2CCC2=O)C1 ZINC000669381205 566424619 /nfs/dbraw/zinc/42/46/19/566424619.db2.gz BETXGSLBNCXKBF-UTUOFQBUSA-N 1 0 209.333 2.334 10 0 BEAERO COc1ccc(C(=O)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000000899061 560179383 /nfs/dbraw/zinc/17/93/83/560179383.db2.gz TYXKSMFICLVQCO-NSHDSACASA-N 1 0 249.310 2.029 10 0 in-vitro BEAERO O=C1[C@H]([C@H]2CCCCC[NH2+]2)CCC12CC2 ZINC000706578617 582960413 /nfs/dbraw/zinc/96/04/13/582960413.db2.gz DFHXGQPZKSGXIO-WDEREUQCSA-N 1 0 207.317 2.278 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)CC1CCOCC1 ZINC000111171355 588726655 /nfs/dbraw/zinc/72/66/55/588726655.db2.gz NUFFFSIWIAEKKG-UHFFFAOYSA-N 1 0 241.375 2.350 10 0 BEAERO O[C@@H](C[NH2+]C[C@H]1CCCc2ccccc21)C1CC1 ZINC000111342699 588744415 /nfs/dbraw/zinc/74/44/15/588744415.db2.gz FAWGQVGCDJOCBW-ZBFHGGJFSA-N 1 0 245.366 2.467 10 0 BEAERO C[NH+](C)C1(CNCc2ccoc2)CCCC1 ZINC000112339345 588794831 /nfs/dbraw/zinc/79/48/31/588794831.db2.gz BHQVOEOKRSQVME-UHFFFAOYSA-N 1 0 222.332 2.244 10 0 BEAERO COCC[C@H](C)[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757124077 582499407 /nfs/dbraw/zinc/49/94/07/582499407.db2.gz BOEAKVHLOUNOML-BFHYXJOUSA-N 1 0 240.391 2.018 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757126925 582502245 /nfs/dbraw/zinc/50/22/45/582502245.db2.gz HTGBPBRGLLGVKY-GXTWGEPZSA-N 1 0 222.376 2.345 10 0 BEAERO Nc1ccc(Br)cc1[C@@H]([NH3+])CF ZINC000757133090 582509332 /nfs/dbraw/zinc/50/93/32/582509332.db2.gz GKYAGOGXXNQCJL-QMMMGPOBSA-N 1 0 233.084 2.001 10 0 BEAERO CC(C)[C@H]1CCC[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757138567 582517850 /nfs/dbraw/zinc/51/78/50/582517850.db2.gz CJONKLPZFGXVRM-GXTWGEPZSA-N 1 0 239.359 2.165 10 0 BEAERO CC[C@@H]1CCC[C@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757139367 582519682 /nfs/dbraw/zinc/51/96/82/582519682.db2.gz GRYHEHULPCLYJS-OCCSQVGLSA-N 1 0 239.359 2.309 10 0 BEAERO C1CCC2(CC1)CCO[C@@]1(CCCOC1)[NH2+]2 ZINC000757140287 582520204 /nfs/dbraw/zinc/52/02/04/582520204.db2.gz AYBQRRKJTVONJZ-CYBMUJFWSA-N 1 0 225.332 2.206 10 0 BEAERO COC(=O)[C@@H]1CC(C)(C)c2ccccc2[C@@H]1[NH3+] ZINC000757140722 582521039 /nfs/dbraw/zinc/52/10/39/582521039.db2.gz OQWNOKDXVFBSIW-PWSUYJOCSA-N 1 0 233.311 2.157 10 0 BEAERO CC(C)[C@H]1O[C@]2(COC(C)(C)C2)[NH2+]CC12CC2 ZINC000757141098 582521304 /nfs/dbraw/zinc/52/13/04/582521304.db2.gz JJFDEMSLZHTIBY-BXUZGUMPSA-N 1 0 239.359 2.306 10 0 BEAERO [NH3+]C[C@@H]1CCN1Cc1cc(Cl)ccc1F ZINC000757143081 582523614 /nfs/dbraw/zinc/52/36/14/582523614.db2.gz GCBPGDKNJDKQBQ-JTQLQIEISA-N 1 0 228.698 2.012 10 0 BEAERO CC(C)[C@@H]1OC2(CCOCC2)[NH2+]CC1(C)C ZINC000757144337 582524859 /nfs/dbraw/zinc/52/48/59/582524859.db2.gz GKJNDRUWOYEYHO-NSHDSACASA-N 1 0 227.348 2.164 10 0 BEAERO CC[C@H]([NH3+])c1ccc(=O)c2ccc[nH]c1-2 ZINC000757146207 582529446 /nfs/dbraw/zinc/52/94/46/582529446.db2.gz RTIUNCUFVHEQRF-JTQLQIEISA-N 1 0 202.257 2.350 10 0 BEAERO CCC[C@H]1CC[NH2+]C2(CCSCC2)O1 ZINC000757146718 582530351 /nfs/dbraw/zinc/53/03/51/582530351.db2.gz LCIINYRSSFWPIP-JTQLQIEISA-N 1 0 215.362 2.388 10 0 BEAERO [NH3+]C[C@@H]1CCN1Cc1cccc(Cl)c1F ZINC000757148014 582532235 /nfs/dbraw/zinc/53/22/35/582532235.db2.gz VNHPFZZDFPATSP-VIFPVBQESA-N 1 0 228.698 2.012 10 0 BEAERO CC(C)[C@H]1[NH2+]C2(CCOCC2)OCC12CCC2 ZINC000757150119 582533605 /nfs/dbraw/zinc/53/36/05/582533605.db2.gz XAPBUGKCMANTML-GFCCVEGCSA-N 1 0 239.359 2.308 10 0 BEAERO CC[C@H]1[NH2+][C@@H](Cc2ccccc2)CCO1 ZINC000757150184 582533782 /nfs/dbraw/zinc/53/37/82/582533782.db2.gz PFTNOMORYAEGSR-OLZOCXBDSA-N 1 0 205.301 2.344 10 0 BEAERO COC[C@@H]1CCOC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757151330 582535491 /nfs/dbraw/zinc/53/54/91/582535491.db2.gz SKRUFPBUQRTNKR-NSHDSACASA-N 1 0 227.348 2.308 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+][C@@]2(CCSC2)OC1 ZINC000757153829 582539011 /nfs/dbraw/zinc/53/90/11/582539011.db2.gz XWRRCTZSSGLIGK-KOLCDFICSA-N 1 0 215.362 2.102 10 0 BEAERO Cc1cc(C[C@H](F)C[NH3+])ccc1Cl ZINC000757155409 582539636 /nfs/dbraw/zinc/53/96/36/582539636.db2.gz AZJFZGGVYKFQKF-VIFPVBQESA-N 1 0 201.672 2.488 10 0 BEAERO CCc1ccc(CSC[C@@H]([NH3+])COC)o1 ZINC000757167816 582548970 /nfs/dbraw/zinc/54/89/70/582548970.db2.gz XYDMVPGBCHIGHX-VIFPVBQESA-N 1 0 229.345 2.049 10 0 BEAERO C[NH2+]C[C@@H](O)CCSCc1ccc(Cl)o1 ZINC000757172379 582551282 /nfs/dbraw/zinc/55/12/82/582551282.db2.gz XARUVPYQRIYOIL-QMMMGPOBSA-N 1 0 249.763 2.137 10 0 BEAERO C[NH2+][C@@H](COC)CSCc1ccc(Cl)o1 ZINC000757172737 582551919 /nfs/dbraw/zinc/55/19/19/582551919.db2.gz YWUHOTHYKKGXCA-QMMMGPOBSA-N 1 0 249.763 2.401 10 0 BEAERO Cc1ccc(Cl)c2c1[C@H](C[NH3+])CC(=O)N2 ZINC000757175958 582553036 /nfs/dbraw/zinc/55/30/36/582553036.db2.gz PFVACDMVCYXYEN-ZETCQYMHSA-N 1 0 224.691 2.033 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](C)C[C@@H]2C(F)(F)F ZINC000235395624 582576813 /nfs/dbraw/zinc/57/68/13/582576813.db2.gz OOQNSERUCVUAMU-IYSWYEEDSA-N 1 0 219.210 2.499 10 0 BEAERO CC[C@@H]1CCCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000400482686 582579190 /nfs/dbraw/zinc/57/91/90/582579190.db2.gz ZFDQZXSECLFGOR-ZWNOBZJWSA-N 1 0 219.332 2.351 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000229805798 582673475 /nfs/dbraw/zinc/67/34/75/582673475.db2.gz RDUUOJQXUZQLPW-CHWSQXEVSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000229805815 582673648 /nfs/dbraw/zinc/67/36/48/582673648.db2.gz RDUUOJQXUZQLPW-STQMWFEESA-N 1 0 241.281 2.358 10 0 BEAERO CC(C)c1nn(C(C)C)c2c1CC[NH2+]C2 ZINC000257786539 582683422 /nfs/dbraw/zinc/68/34/22/582683422.db2.gz FFDXRTZPVCTFKI-UHFFFAOYSA-N 1 0 207.321 2.233 10 0 BEAERO c1nc2c([nH]1)[C@H]([C@@H]1CC[C@@H]3C[C@@H]3C1)[NH2+]CC2 ZINC000700030387 582747825 /nfs/dbraw/zinc/74/78/25/582747825.db2.gz OMRDIUBNCYJYPP-BFLSOPEQSA-N 1 0 217.316 2.033 10 0 BEAERO CC(C)(Cn1cc[nH+]c1N)CC(F)(F)F ZINC000702621070 582926438 /nfs/dbraw/zinc/92/64/38/582926438.db2.gz QJUJTTOBVYCYDY-UHFFFAOYSA-N 1 0 221.226 2.444 10 0 BEAERO C[C@@H](C(=O)C(F)(F)F)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000702912345 582929999 /nfs/dbraw/zinc/92/99/99/582929999.db2.gz GLMNRPRXFCEHIJ-BWZBUEFSSA-N 1 0 223.238 2.142 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1N1CC(C)(C)OC(C)(C)C1 ZINC000396624451 583086992 /nfs/dbraw/zinc/08/69/92/583086992.db2.gz DJUHUNRCNKYWRJ-RYUDHWBXSA-N 1 0 240.391 2.016 10 0 BEAERO C[C@H]1C[C@]2(CCO1)[NH2+]CCc1sccc12 ZINC000397127295 583097287 /nfs/dbraw/zinc/09/72/87/583097287.db2.gz CIWWESKFAGSEGM-CABZTGNLSA-N 1 0 223.341 2.288 10 0 BEAERO CC[C@@H](C)N(C)CC[NH2+]CC1(O)CCCCC1 ZINC000219539559 583175116 /nfs/dbraw/zinc/17/51/16/583175116.db2.gz RXYKRMUVSZICFJ-CYBMUJFWSA-N 1 0 242.407 2.002 10 0 BEAERO Cc1ccc(CNc2cc(C)[nH+]c(N)n2)cc1 ZINC000024761433 583216993 /nfs/dbraw/zinc/21/69/93/583216993.db2.gz IAHLAWHKNTTYTO-UHFFFAOYSA-N 1 0 228.299 2.288 10 0 BEAERO CC1CCC([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052511 583301636 /nfs/dbraw/zinc/30/16/36/583301636.db2.gz FUPPIOLUTXIVIJ-AMDVSUOASA-N 1 0 225.254 2.065 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@H](O)c1ccco1 ZINC000127357671 583403912 /nfs/dbraw/zinc/40/39/12/583403912.db2.gz HPJKKYYJSYFRMD-MNOVXSKESA-N 1 0 211.305 2.339 10 0 BEAERO [NH3+]C1CC(CNc2ccnc(C(F)(F)F)c2)C1 ZINC000302451561 583507188 /nfs/dbraw/zinc/50/71/88/583507188.db2.gz OKDQEVGWFXJKLD-UHFFFAOYSA-N 1 0 245.248 2.250 10 0 BEAERO CCOC(=O)/C=C1/CC[N@H+](Cc2ccccc2)C1 ZINC000144376118 583927195 /nfs/dbraw/zinc/92/71/95/583927195.db2.gz NUUVZRQDSZZLED-UVTDQMKNSA-N 1 0 245.322 2.382 10 0 BEAERO C[C@H]1C[NH2+]CC[C@@H]1c1cccc(C=O)c1 ZINC000145566720 583932567 /nfs/dbraw/zinc/93/25/67/583932567.db2.gz CCNZRDFIVIPZKG-GWCFXTLKSA-N 1 0 203.285 2.212 10 0 BEAERO COC(=O)/C(C)=C\C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000214858303 584926332 /nfs/dbraw/zinc/92/63/32/584926332.db2.gz ZARQYBYEBZQYKC-GZXATSTBSA-N 1 0 225.332 2.226 10 0 BEAERO CCC[N@@H+]1CCC[C@@H](C2=CCOCC2)C1 ZINC000757569640 586367442 /nfs/dbraw/zinc/36/74/42/586367442.db2.gz YUIQAQWXHORJQX-CYBMUJFWSA-N 1 0 209.333 2.455 10 0 BEAERO [NH3+]C[C@@H]1CCN1Cc1ccc(F)cc1Cl ZINC000757149265 586428941 /nfs/dbraw/zinc/42/89/41/586428941.db2.gz ZKRIRVXXQPJJSD-JTQLQIEISA-N 1 0 228.698 2.012 10 0 BEAERO CCC[C@H]1CC[NH2+][C@]2(CCCOCC2)O1 ZINC000757147333 586428980 /nfs/dbraw/zinc/42/89/80/586428980.db2.gz MDPVVNPGUTZSTF-NWDGAFQWSA-N 1 0 213.321 2.062 10 0 BEAERO C[C@H](CN1CC[C@@H]1C[NH3+])C1CCCCC1 ZINC000757146433 586429059 /nfs/dbraw/zinc/42/90/59/586429059.db2.gz QMVSFERFCUOUOF-DGCLKSJQSA-N 1 0 210.365 2.236 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+][C@@]2(CCCSC2)OC1 ZINC000757152397 586429705 /nfs/dbraw/zinc/42/97/05/586429705.db2.gz RZXWORYEFQFPGW-JQWIXIFHSA-N 1 0 229.389 2.492 10 0 BEAERO C[C@H]1CC(C)(C)O[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757154251 586430224 /nfs/dbraw/zinc/43/02/24/586430224.db2.gz ZQIVZGSPZXDTCQ-CABZTGNLSA-N 1 0 213.321 2.059 10 0 BEAERO Cc1cc(C[C@H](O)C2([NH3+])CC2)ccc1Cl ZINC000757161340 586432331 /nfs/dbraw/zinc/43/23/31/586432331.db2.gz VFPDYNSJWPMCAZ-NSHDSACASA-N 1 0 225.719 2.043 10 0 BEAERO COC(=O)C=C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000757183158 586433648 /nfs/dbraw/zinc/43/36/48/586433648.db2.gz BVRVBNVMMKKBDJ-UHFFFAOYSA-N 1 0 211.305 2.026 10 0 BEAERO CCOC(=O)/C=C1/CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000757191588 586435817 /nfs/dbraw/zinc/43/58/17/586435817.db2.gz PWTKGSUFKJHZAQ-CYRCAWSMSA-N 1 0 223.316 2.028 10 0 BEAERO COc1ccc(C2(C[NH3+])CC(F)(F)C2)cc1F ZINC000757191705 586435912 /nfs/dbraw/zinc/43/59/12/586435912.db2.gz QJWLIVXVPQERNR-UHFFFAOYSA-N 1 0 245.244 2.460 10 0 BEAERO CCc1cncc(SCC[NH2+]C2CC2)c1 ZINC000757213730 586439834 /nfs/dbraw/zinc/43/98/34/586439834.db2.gz QVHJARSPKPYCHL-UHFFFAOYSA-N 1 0 222.357 2.488 10 0 BEAERO C[C@H]1C[C@@H](c2cccc(C=O)c2)CC[NH2+]1 ZINC000757215153 586440470 /nfs/dbraw/zinc/44/04/70/586440470.db2.gz MSHMKSPJSRIZDJ-GWCFXTLKSA-N 1 0 203.285 2.355 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1c1ccc(C=O)s1 ZINC000757215877 586440573 /nfs/dbraw/zinc/44/05/73/586440573.db2.gz OIGWJAXVQLLGBB-WPRPVWTQSA-N 1 0 209.314 2.274 10 0 BEAERO CC(=O)c1ccc([C@@H]2N[C@@H](C)CC[C@@H]2[NH3+])cc1 ZINC000757215928 586440794 /nfs/dbraw/zinc/44/07/94/586440794.db2.gz OCKHJBZSFFHYBN-HERUPUMHSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1c1ccc(C=O)s1 ZINC000757215871 586440861 /nfs/dbraw/zinc/44/08/61/586440861.db2.gz OIGWJAXVQLLGBB-WCBMZHEXSA-N 1 0 209.314 2.274 10 0 BEAERO CC[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000757215241 586440907 /nfs/dbraw/zinc/44/09/07/586440907.db2.gz NKNFOFGCBLVOHV-VHSXEESVSA-N 1 0 213.321 2.106 10 0 BEAERO CCOC(=O)[C@@H]1CC[C@H](c2ccsc2)[NH2+]C1 ZINC000757219364 586442320 /nfs/dbraw/zinc/44/23/20/586442320.db2.gz YETYJJCYMAYTKL-MWLCHTKSSA-N 1 0 239.340 2.352 10 0 BEAERO NC[C@@H]1CC[C@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757232995 586443011 /nfs/dbraw/zinc/44/30/11/586443011.db2.gz JLJLYUZQNZAMPI-YUMQZZPRSA-N 1 0 246.326 2.480 10 0 BEAERO Cc1ccc(N)cc1[C@H]1CC[NH2+]C[C@@H]1C ZINC000757235625 586443343 /nfs/dbraw/zinc/44/33/43/586443343.db2.gz MDILAMZWACXCIU-JQWIXIFHSA-N 1 0 204.317 2.290 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](c2cscc2C(F)F)NC1 ZINC000757238584 586444263 /nfs/dbraw/zinc/44/42/63/586444263.db2.gz STKGWHXSWJJGSY-MUWHJKNJSA-N 1 0 232.299 2.438 10 0 BEAERO [NH3+][C@H]1CNC[C@@H](c2cscc2C(F)F)C1 ZINC000757239520 586444375 /nfs/dbraw/zinc/44/43/75/586444375.db2.gz ULMKVEIBJRNGKV-NKWVEPMBSA-N 1 0 232.299 2.090 10 0 BEAERO Nc1cc[nH+]c(-c2cccc3cc[nH]c32)c1N ZINC000757573027 586462906 /nfs/dbraw/zinc/46/29/06/586462906.db2.gz WWUVMMCNUWHRJX-UHFFFAOYSA-N 1 0 224.267 2.394 10 0 BEAERO CC(C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117100235 589074944 /nfs/dbraw/zinc/07/49/44/589074944.db2.gz VDJCGXVFKDNICJ-AWEZNQCLSA-N 1 0 247.338 2.460 10 0 BEAERO Cc1ccc(F)cc1-c1noc(CC[C@H](C)[NH3+])n1 ZINC000109512220 588564397 /nfs/dbraw/zinc/56/43/97/588564397.db2.gz KTJYZBCVEFTJOM-VIFPVBQESA-N 1 0 249.289 2.464 10 0 BEAERO CC(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000110119616 588611968 /nfs/dbraw/zinc/61/19/68/588611968.db2.gz VDJCGXVFKDNICJ-CQSZACIVSA-N 1 0 247.338 2.460 10 0 BEAERO C[C@@H](O)CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000119045045 589236790 /nfs/dbraw/zinc/23/67/90/589236790.db2.gz HOMDUCVPSUJHHS-VHSXEESVSA-N 1 0 219.394 2.267 10 0 BEAERO O=Cc1ccc(C[NH+]2CCCCCC2)o1 ZINC000016942830 589547959 /nfs/dbraw/zinc/54/79/59/589547959.db2.gz OTGMQUVOXPBEKI-UHFFFAOYSA-N 1 0 207.273 2.468 10 0 BEAERO CC[C@@H]([NH2+]CC(OC)OC)c1ccccc1F ZINC000122502547 589595312 /nfs/dbraw/zinc/59/53/12/589595312.db2.gz WZIUGYOMJSGBEJ-GFCCVEGCSA-N 1 0 241.306 2.485 10 0 BEAERO C[C@H]1C[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000122572239 589605047 /nfs/dbraw/zinc/60/50/47/589605047.db2.gz DXWLBWACISZDOC-VHSXEESVSA-N 1 0 209.337 2.089 10 0 BEAERO Clc1ccc(NC[C@H]2CCC[NH2+]C2)cn1 ZINC000122843827 589638795 /nfs/dbraw/zinc/63/87/95/589638795.db2.gz VYYVEDGPOIPMAG-VIFPVBQESA-N 1 0 225.723 2.147 10 0 BEAERO O[C@@H](C[NH2+][C@@H]1CSc2ccccc21)C1CC1 ZINC000123557692 589752430 /nfs/dbraw/zinc/75/24/30/589752430.db2.gz ZISYMJHAVGVRGG-NEPJUHHUSA-N 1 0 235.352 2.194 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)c(C)o1 ZINC000123716008 589776630 /nfs/dbraw/zinc/77/66/30/589776630.db2.gz CPLGLKZUHKNADP-ZYHUDNBSSA-N 1 0 209.289 2.163 10 0 BEAERO CCC1CCC(NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123974228 589889001 /nfs/dbraw/zinc/88/90/01/589889001.db2.gz UYQCZKNYMONCRB-KGPNIALWSA-N 1 0 238.375 2.199 10 0 BEAERO CCc1ccc(-c2cc(CC[NH3+])no2)cc1 ZINC000020270374 590094496 /nfs/dbraw/zinc/09/44/96/590094496.db2.gz YQPSRKWOSLFMEN-UHFFFAOYSA-N 1 0 216.284 2.405 10 0 BEAERO CC(C)[C@H](O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000124922935 590102322 /nfs/dbraw/zinc/10/23/22/590102322.db2.gz HUKUQEBNXJDWOH-QWHCGFSZSA-N 1 0 241.375 2.085 10 0 BEAERO C[N@H+](C[C@H]1CNCCO1)C1CCCCCCC1 ZINC000125460995 590165276 /nfs/dbraw/zinc/16/52/76/590165276.db2.gz QDECWVCJRPXTIM-CQSZACIVSA-N 1 0 240.391 2.020 10 0 BEAERO CC(C)Cc1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000021517316 590191895 /nfs/dbraw/zinc/19/18/95/590191895.db2.gz BHWHRPDXAHJUCA-UHFFFAOYSA-N 1 0 231.299 2.394 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1cncc(Cl)n1 ZINC000126510616 590323891 /nfs/dbraw/zinc/32/38/91/590323891.db2.gz TYTKXRSZWFGCAS-QMMMGPOBSA-N 1 0 228.727 2.059 10 0 BEAERO Cc1cc(C[NH2+]C(C)(C)[C@@H](C)O)c(C)o1 ZINC000127789620 590777707 /nfs/dbraw/zinc/77/77/07/590777707.db2.gz KXKUUXCWZREMNN-SNVBAGLBSA-N 1 0 211.305 2.145 10 0 BEAERO CC[C@H](C[NH2+][C@@H]1CCCSC1)N1CCCC1 ZINC000128242873 590949751 /nfs/dbraw/zinc/94/97/51/590949751.db2.gz ZWAAHAQILSCEIP-CHWSQXEVSA-N 1 0 242.432 2.346 10 0 BEAERO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCSC1 ZINC000128243984 590950113 /nfs/dbraw/zinc/95/01/13/590950113.db2.gz GYZFIKILZAGKSO-CHWSQXEVSA-N 1 0 242.432 2.346 10 0 BEAERO Cc1cc(N2CC[C@H](C(C)(C)C)C2)nc(N)[nH+]1 ZINC000128432349 591038313 /nfs/dbraw/zinc/03/83/13/591038313.db2.gz CXMPONXGXJULIC-JTQLQIEISA-N 1 0 234.347 2.240 10 0 BEAERO C[C@]1(Cc2cccs2)[NH2+]CCc2nc[nH]c21 ZINC000211099939 591124371 /nfs/dbraw/zinc/12/43/71/591124371.db2.gz BJTZAYQEYKCLHT-GFCCVEGCSA-N 1 0 233.340 2.075 10 0 BEAERO CCCc1nsc(N[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000129535877 591321217 /nfs/dbraw/zinc/32/12/17/591321217.db2.gz BKKNSTXOFXQFNT-BDAKNGLRSA-N 1 0 240.376 2.043 10 0 BEAERO CCc1cnccc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000129845342 591415010 /nfs/dbraw/zinc/41/50/10/591415010.db2.gz JLBUHXDACDUNOK-LLVKDONJSA-N 1 0 244.298 2.119 10 0 BEAERO [NH3+]Cc1[nH]c(C2CCCC2)nc1Br ZINC000213002974 591445153 /nfs/dbraw/zinc/44/51/53/591445153.db2.gz AMBKMKZNTSLHES-UHFFFAOYSA-N 1 0 244.136 2.289 10 0 BEAERO CC[C@@H]([NH2+][C@H](C)COCCOC)C(C)C ZINC000130272534 591453388 /nfs/dbraw/zinc/45/33/88/591453388.db2.gz BCZNSUZBGNEABR-VXGBXAGGSA-N 1 0 217.353 2.062 10 0 BEAERO Cc1cccc(N2C[C@@]3(CCC[NH2+]C3)OC2=O)c1 ZINC000213442278 591474483 /nfs/dbraw/zinc/47/44/83/591474483.db2.gz QEZREHVIMXJBAO-AWEZNQCLSA-N 1 0 246.310 2.074 10 0 BEAERO CCCC(CCC)C(=O)NCC1CC([NH3+])C1 ZINC000133040045 591757406 /nfs/dbraw/zinc/75/74/06/591757406.db2.gz ISCYEVDXVZRCOT-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCC(C)=O ZINC000133434867 591791695 /nfs/dbraw/zinc/79/16/95/591791695.db2.gz IQMAZMXZEPTFDA-CHWSQXEVSA-N 1 0 241.375 2.491 10 0 BEAERO CCCCCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000133696855 591848769 /nfs/dbraw/zinc/84/87/69/591848769.db2.gz JFGFWLKOWULNCY-RYUDHWBXSA-N 1 0 226.364 2.214 10 0 BEAERO CCCCCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000133696685 591848844 /nfs/dbraw/zinc/84/88/44/591848844.db2.gz JFGFWLKOWULNCY-NWDGAFQWSA-N 1 0 226.364 2.214 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC[S@@](C)=O)cc1C ZINC000133808667 591860677 /nfs/dbraw/zinc/86/06/77/591860677.db2.gz MXQOPGZIIRXDGE-WBMJQRKESA-N 1 0 239.384 2.333 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC[S@](C)=O)cc1F ZINC000133802462 591860850 /nfs/dbraw/zinc/86/08/50/591860850.db2.gz DIKLNNGRBZWHOA-MGPLVRAMSA-N 1 0 243.347 2.163 10 0 BEAERO CC[C@H](C)c1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000134615108 591941766 /nfs/dbraw/zinc/94/17/66/591941766.db2.gz CTVRDGRYTXJFMW-UWVGGRQHSA-N 1 0 223.320 2.125 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H](C)CO)ccc1Cl ZINC000134652399 591945132 /nfs/dbraw/zinc/94/51/32/591945132.db2.gz APPNYSAKXQEDIB-SECBINFHSA-N 1 0 227.735 2.366 10 0 BEAERO COC(C)(C)C[C@@H](C)[NH2+]Cc1nnc(C)s1 ZINC000134723124 591947452 /nfs/dbraw/zinc/94/74/52/591947452.db2.gz FRCQZJFCUATZAJ-MRVPVSSYSA-N 1 0 243.376 2.140 10 0 BEAERO C1C[C@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCCSC2)O1 ZINC000134808012 591950719 /nfs/dbraw/zinc/95/07/19/591950719.db2.gz FLBUKZSOBGGHMU-FDYHWXHSSA-N 1 0 241.400 2.429 10 0 BEAERO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCCSC1 ZINC000134815457 591951893 /nfs/dbraw/zinc/95/18/93/591951893.db2.gz UJSMXKWHGJHKPW-GHMZBOCLSA-N 1 0 231.405 2.269 10 0 BEAERO C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)C(C)(C)C ZINC000136188505 592100272 /nfs/dbraw/zinc/10/02/72/592100272.db2.gz UUFLPVNNAAWZPA-SMDDNHRTSA-N 1 0 240.391 2.317 10 0 BEAERO C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)C(C)(C)C ZINC000136188543 592100642 /nfs/dbraw/zinc/10/06/42/592100642.db2.gz UUFLPVNNAAWZPA-BXUZGUMPSA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000137388803 592175833 /nfs/dbraw/zinc/17/58/33/592175833.db2.gz IJLAFRZAXPMGRH-ZIAGYGMSSA-N 1 0 246.354 2.381 10 0 BEAERO CCOC1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000218988093 592202619 /nfs/dbraw/zinc/20/26/19/592202619.db2.gz HERYBQUEMQUZMH-UHFFFAOYSA-N 1 0 246.763 2.454 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCC(C)(C)C ZINC000313465884 634463067 /nfs/dbraw/zinc/46/30/67/634463067.db2.gz CJUKCNRCXWHTML-NWDGAFQWSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000335914090 634547726 /nfs/dbraw/zinc/54/77/26/634547726.db2.gz TVUXZKXNQZNDON-MWLCHTKSSA-N 1 0 207.321 2.421 10 0 BEAERO CC1(C)C[C@@H]1c1noc(C2CC[NH2+]CC2)n1 ZINC000225471807 635408051 /nfs/dbraw/zinc/40/80/51/635408051.db2.gz JAQWCYHGWBCYMV-SECBINFHSA-N 1 0 221.304 2.050 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000225473368 635408936 /nfs/dbraw/zinc/40/89/36/635408936.db2.gz CYPOYNMWRGZDHF-PRHODGIISA-N 1 0 221.304 2.182 10 0 BEAERO CCCCCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232931188 635521837 /nfs/dbraw/zinc/52/18/37/635521837.db2.gz PGBFPQOTZWCRTL-JHJVBQTASA-N 1 0 240.391 2.317 10 0 BEAERO CCN(c1nccc2occc21)[C@H]1CC[NH2+]C1 ZINC000233485320 635536919 /nfs/dbraw/zinc/53/69/19/635536919.db2.gz ACJSOZNHCWRZOB-JTQLQIEISA-N 1 0 231.299 2.016 10 0 BEAERO CSCC[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308540095 631422432 /nfs/dbraw/zinc/42/24/32/631422432.db2.gz MKYMWFVPUNEEJL-NXEZZACHSA-N 1 0 219.394 2.125 10 0 BEAERO CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089385500 631504131 /nfs/dbraw/zinc/50/41/31/631504131.db2.gz JCHKEHIYZYCIHN-CHWSQXEVSA-N 1 0 238.375 2.010 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000309029788 631804459 /nfs/dbraw/zinc/80/44/59/631804459.db2.gz CYMCUUANCRGYAQ-SYEHKZFSSA-N 1 0 211.349 2.338 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000309046446 631823560 /nfs/dbraw/zinc/82/35/60/631823560.db2.gz OXSHZINCQYBCAK-YRRQLQLVSA-N 1 0 211.349 2.314 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C ZINC000309087187 631875489 /nfs/dbraw/zinc/87/54/89/631875489.db2.gz ZETCQOBAKJAGLD-LPWJVIDDSA-N 1 0 211.349 2.436 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C ZINC000309087186 631876233 /nfs/dbraw/zinc/87/62/33/631876233.db2.gz ZETCQOBAKJAGLD-LOWDOPEQSA-N 1 0 211.349 2.436 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000049948855 631917849 /nfs/dbraw/zinc/91/78/49/631917849.db2.gz JXWAVORZWYBDLW-WDEREUQCSA-N 1 0 226.345 2.109 10 0 BEAERO C[NH2+]CCc1noc(-c2ccc(C)c(C)c2)n1 ZINC000051850705 631963255 /nfs/dbraw/zinc/96/32/55/631963255.db2.gz JSRMABYVZUHYDP-UHFFFAOYSA-N 1 0 231.299 2.115 10 0 BEAERO CSC1(CN[C@H]2CC[NH2+]C2)CCCCC1 ZINC000235121483 632007635 /nfs/dbraw/zinc/00/76/35/632007635.db2.gz JBDRABKHHVLREN-NSHDSACASA-N 1 0 228.405 2.004 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000161573379 632088688 /nfs/dbraw/zinc/08/86/88/632088688.db2.gz WRBKZXDUTWJTIN-DGCLKSJQSA-N 1 0 239.359 2.450 10 0 BEAERO C[N@H+](CC1CCOCC1)C1(CN)CCCCC1 ZINC000052171547 632094168 /nfs/dbraw/zinc/09/41/68/632094168.db2.gz OOUOCKIFVOZAJB-UHFFFAOYSA-N 1 0 240.391 2.006 10 0 BEAERO COc1c(C)cnc(C[NH2+][C@@H]2C[C@@H]2C)c1C ZINC000052287934 632115534 /nfs/dbraw/zinc/11/55/34/632115534.db2.gz YZLPGSCLBHHFTJ-GZMMTYOYSA-N 1 0 220.316 2.205 10 0 BEAERO Cc1ccsc1-c1nc([C@H](C)C[NH3+])no1 ZINC000054158848 635776693 /nfs/dbraw/zinc/77/66/93/635776693.db2.gz FIQAUVKWDQKAGW-SSDOTTSWSA-N 1 0 223.301 2.169 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)C[NH3+])no2)c(C)c1 ZINC000054158765 635776987 /nfs/dbraw/zinc/77/69/87/635776987.db2.gz ZXKAAMIRWHRXHJ-JTQLQIEISA-N 1 0 231.299 2.416 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000309528148 632468456 /nfs/dbraw/zinc/46/84/56/632468456.db2.gz VGEOCAVTLZVIEO-WCQYABFASA-N 1 0 223.360 2.460 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309544525 632483823 /nfs/dbraw/zinc/48/38/23/632483823.db2.gz ZHLZYJWNZYBXIQ-XUXIUFHCSA-N 1 0 223.360 2.316 10 0 BEAERO c1cn(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC=CO2)cn1 ZINC000249054806 632536268 /nfs/dbraw/zinc/53/62/68/632536268.db2.gz YKCCLUCOUJUJBA-UONOGXRCSA-N 1 0 247.342 2.040 10 0 BEAERO CC(=O)[C@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000229532382 632572979 /nfs/dbraw/zinc/57/29/79/632572979.db2.gz IGSSDGKPWNOLJP-LBPRGKRZSA-N 1 0 218.300 2.195 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)c(C)s1 ZINC000309030960 632618965 /nfs/dbraw/zinc/61/89/65/632618965.db2.gz DTAPHUPRVGMBSM-FXQIFTODSA-N 1 0 228.361 2.180 10 0 BEAERO CCCc1ccc(C[NH2+][C@H](C)[C@@H](C)O)cc1 ZINC000309663654 632628844 /nfs/dbraw/zinc/62/88/44/632628844.db2.gz SJHNUUICXQJGKH-VXGBXAGGSA-N 1 0 221.344 2.498 10 0 BEAERO c1cc(C[NH2+]C[C@@H]2CC23CCOCC3)co1 ZINC000309701004 632653640 /nfs/dbraw/zinc/65/36/40/632653640.db2.gz SUIDVRPXEGUFRG-LBPRGKRZSA-N 1 0 221.300 2.186 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000309964706 632687643 /nfs/dbraw/zinc/68/76/43/632687643.db2.gz MXLWIBUCXYHHFV-IUCAKERBSA-N 1 0 240.372 2.270 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@H](C)c2ccccc2)n1 ZINC000235453470 632742112 /nfs/dbraw/zinc/74/21/12/632742112.db2.gz NRJSHGRXWGQGJU-NXEZZACHSA-N 1 0 231.299 2.284 10 0 BEAERO Cl/C=C(\Cl)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000177761462 632877053 /nfs/dbraw/zinc/87/70/53/632877053.db2.gz GKJXAZVUWGYQMC-BRNRAETOSA-N 1 0 249.185 2.476 10 0 BEAERO CCCc1cccc(C[NH2+][C@@H](C)[C@H](C)O)c1 ZINC000309449167 633083140 /nfs/dbraw/zinc/08/31/40/633083140.db2.gz KPAXTIYLRGISST-RYUDHWBXSA-N 1 0 221.344 2.498 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccoc1 ZINC000165412738 633091936 /nfs/dbraw/zinc/09/19/36/633091936.db2.gz OFNKTJJGDZVQGC-OLZOCXBDSA-N 1 0 223.316 2.430 10 0 BEAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C2CC2)cc1 ZINC000166474288 633113232 /nfs/dbraw/zinc/11/32/32/633113232.db2.gz DNHOQVXLRPVJDJ-KGLIPLIRSA-N 1 0 245.322 2.040 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(C)cc(C)c1 ZINC000166604791 633119562 /nfs/dbraw/zinc/11/95/62/633119562.db2.gz NLDNTVLJENLXBT-KBPBESRZSA-N 1 0 247.338 2.170 10 0 BEAERO FC(F)(F)CCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334430847 636045379 /nfs/dbraw/zinc/04/53/79/636045379.db2.gz JYZIFZKOSQJBGF-SNVBAGLBSA-N 1 0 236.281 2.014 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309797116 633749947 /nfs/dbraw/zinc/74/99/47/633749947.db2.gz QKJXLRVLZRWNSO-XHVZSJERSA-N 1 0 220.316 2.159 10 0 BEAERO c1cc(C[NH2+]CCOC2CCCC2)co1 ZINC000053543568 633816427 /nfs/dbraw/zinc/81/64/27/633816427.db2.gz LRGZWRNQMPWBNX-UHFFFAOYSA-N 1 0 209.289 2.328 10 0 BEAERO C/C(=C\c1ccccc1)C[NH2+][C@H](C)[C@@H](C)O ZINC000309890644 633907592 /nfs/dbraw/zinc/90/75/92/633907592.db2.gz CKKBIRDLRLMDCW-FWPSRMAWSA-N 1 0 219.328 2.449 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000309894265 633910607 /nfs/dbraw/zinc/91/06/07/633910607.db2.gz FCUYWQNURIWFPB-YNEHKIRRSA-N 1 0 221.344 2.224 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000309942747 633967273 /nfs/dbraw/zinc/96/72/73/633967273.db2.gz CDDWXJLZFYLSPQ-DTWKUNHWSA-N 1 0 242.388 2.300 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000309952627 633975397 /nfs/dbraw/zinc/97/53/97/633975397.db2.gz GVZFCTHEPQVLKX-XHNCKOQMSA-N 1 0 229.270 2.385 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CCOC2CCOCC2)C1 ZINC000053590979 634256568 /nfs/dbraw/zinc/25/65/68/634256568.db2.gz YSRJSHQHIBBUGI-CHWSQXEVSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1c1nc2ccccc2o1 ZINC000053706806 634326567 /nfs/dbraw/zinc/32/65/67/634326567.db2.gz ZYAJJDSCJHIRBC-NSHDSACASA-N 1 0 245.326 2.406 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1c1nc2ccccc2[nH]1 ZINC000053706500 634326727 /nfs/dbraw/zinc/32/67/27/634326727.db2.gz LMWALUFJXAWEEN-NSHDSACASA-N 1 0 244.342 2.141 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1c1nc2ccccc2o1 ZINC000053706807 634327771 /nfs/dbraw/zinc/32/77/71/634327771.db2.gz ZYAJJDSCJHIRBC-LLVKDONJSA-N 1 0 245.326 2.406 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000336760544 635285481 /nfs/dbraw/zinc/28/54/81/635285481.db2.gz LTEAYPHBMMOCQU-GMTAPVOTSA-N 1 0 227.373 2.428 10 0 BEAERO CC(C)c1ncc(C[NH2+][C@@H](C)[C@H](C)O)s1 ZINC000336772865 635287449 /nfs/dbraw/zinc/28/74/49/635287449.db2.gz YKVZYOQFZGKTMB-IUCAKERBSA-N 1 0 228.361 2.125 10 0 BEAERO C[NH2+][C@H](C)C(=O)NCCCCCCC(C)C ZINC000054076237 635346455 /nfs/dbraw/zinc/34/64/55/635346455.db2.gz POQNHKVIQXJULG-GFCCVEGCSA-N 1 0 228.380 2.317 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CC(OC)C1)CC2 ZINC000230675645 635489263 /nfs/dbraw/zinc/48/92/63/635489263.db2.gz LKCVYDYGVZIUGT-HGMXIMQMSA-N 1 0 247.338 2.450 10 0 BEAERO Cc1ccc2cc(C[NH2+][C@@H](C)[C@@H](C)O)ccc2n1 ZINC000342184657 636328700 /nfs/dbraw/zinc/32/87/00/636328700.db2.gz CUQFZUDSPDDJEL-NWDGAFQWSA-N 1 0 244.338 2.402 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2nccs2)C[C@H](C)O1 ZINC000393742022 636547844 /nfs/dbraw/zinc/54/78/44/636547844.db2.gz FYXDCCKZCYBTAE-UWVGGRQHSA-N 1 0 240.372 2.436 10 0 BEAERO CC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C(C)C ZINC000042592868 637291411 /nfs/dbraw/zinc/29/14/11/637291411.db2.gz PYQJOFCLYAIVAD-LLVKDONJSA-N 1 0 228.380 2.315 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)O)CCC2 ZINC000348422059 639162428 /nfs/dbraw/zinc/16/24/28/639162428.db2.gz SBSWXHCXDILKIQ-FIXISWKDSA-N 1 0 249.354 2.432 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)O)CCC2 ZINC000348422061 639162457 /nfs/dbraw/zinc/16/24/57/639162457.db2.gz SBSWXHCXDILKIQ-UEKVPHQBSA-N 1 0 249.354 2.432 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)O)CC2 ZINC000348438195 639208359 /nfs/dbraw/zinc/20/83/59/639208359.db2.gz XXUDOLAHQHFCPN-ISTVAULSSA-N 1 0 235.327 2.041 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)O)CC2 ZINC000348438190 639209492 /nfs/dbraw/zinc/20/94/92/639209492.db2.gz XXUDOLAHQHFCPN-GPCCPHFNSA-N 1 0 235.327 2.041 10 0 BEAERO CCCCCCNC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000036204209 640406910 /nfs/dbraw/zinc/40/69/10/640406910.db2.gz YYLSHNUXOGUEIE-GHMZBOCLSA-N 1 0 214.353 2.056 10 0 BEAERO CCCCCCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000036204201 640407903 /nfs/dbraw/zinc/40/79/03/640407903.db2.gz YYLSHNUXOGUEIE-WDEREUQCSA-N 1 0 214.353 2.056 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC1CC1 ZINC000157117801 640572535 /nfs/dbraw/zinc/57/25/35/640572535.db2.gz WFXQHBJPFIBXPL-TZMCWYRMSA-N 1 0 222.376 2.345 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccoc1 ZINC000165412487 640575916 /nfs/dbraw/zinc/57/59/16/640575916.db2.gz OFNKTJJGDZVQGC-STQMWFEESA-N 1 0 223.316 2.430 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(C)c1C ZINC000166604200 640656507 /nfs/dbraw/zinc/65/65/07/640656507.db2.gz CSEUSRWJVWCMKL-UONOGXRCSA-N 1 0 247.338 2.170 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)c(C)c1 ZINC000166603250 640656895 /nfs/dbraw/zinc/65/68/95/640656895.db2.gz QAPUGDDCBVOCAJ-UONOGXRCSA-N 1 0 247.338 2.170 10 0 BEAERO CC[C@@H]1CC[NH2+][C@@H]([C@@H](C)C(=O)C2CC2)C1 ZINC000167558260 640732085 /nfs/dbraw/zinc/73/20/85/640732085.db2.gz HWWOJPDKJHVZKO-CKYFFXLPSA-N 1 0 209.333 2.380 10 0 BEAERO CC(C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])=C1CCCC1 ZINC000157881785 640766433 /nfs/dbraw/zinc/76/64/33/640766433.db2.gz PWRXRIFGFXCQKT-CHWSQXEVSA-N 1 0 236.359 2.121 10 0 BEAERO CC(C(=O)N[C@@H]1CCC[C@H]1C[NH3+])=C1CCCC1 ZINC000157882074 640766483 /nfs/dbraw/zinc/76/64/83/640766483.db2.gz PWRXRIFGFXCQKT-QWHCGFSZSA-N 1 0 236.359 2.121 10 0 BEAERO CC[C@H](C)c1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000227881905 640851802 /nfs/dbraw/zinc/85/18/02/640851802.db2.gz MOSNGIGBCZLLPI-XHNCKOQMSA-N 1 0 209.293 2.178 10 0 BEAERO CC(C)[N@@H+]1CC[C@]2(C1)C[C@@H](O)c1ccccc1O2 ZINC000229395760 640954743 /nfs/dbraw/zinc/95/47/43/640954743.db2.gz HQZIWKFLTRCJIE-UKRRQHHQSA-N 1 0 247.338 2.355 10 0 BEAERO CCc1cccc2c1OC[C@@H]([C@@H](C)[NH3+])C2 ZINC000675063934 640960545 /nfs/dbraw/zinc/96/05/45/640960545.db2.gz UIKUHXWFMLJQFR-SKDRFNHKSA-N 1 0 205.301 2.147 10 0 BEAERO C[C@H]([NH3+])[C@@H]1COc2cc(F)c(Cl)cc2C1 ZINC000675064392 640963043 /nfs/dbraw/zinc/96/30/43/640963043.db2.gz ZFCHUCQIDNTISV-XPUUQOCRSA-N 1 0 229.682 2.377 10 0 BEAERO Nc1[nH+]ccn1CCCc1ccccc1 ZINC000061624446 640976872 /nfs/dbraw/zinc/97/68/72/640976872.db2.gz SZKTVASKJPBVPW-UHFFFAOYSA-N 1 0 201.273 2.098 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C2(c3ccccc3)CC2)n1 ZINC000061618612 640977658 /nfs/dbraw/zinc/97/76/58/640977658.db2.gz UDSMATIASXRPFA-JTQLQIEISA-N 1 0 243.310 2.212 10 0 BEAERO CC(C)C[NH2+][C@@H](CO)CCc1ccccc1 ZINC000061625929 640978867 /nfs/dbraw/zinc/97/88/67/640978867.db2.gz ZJLUZJGIFQXLPL-CQSZACIVSA-N 1 0 221.344 2.226 10 0 BEAERO CC[C@@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000061669975 640987517 /nfs/dbraw/zinc/98/75/17/640987517.db2.gz VMOJAFDSNJHHBV-SECBINFHSA-N 1 0 203.289 2.451 10 0 BEAERO C[C@@H](C(N)=O)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062017022 641014292 /nfs/dbraw/zinc/01/42/92/641014292.db2.gz LZERGYSUKJRHIJ-IUCAKERBSA-N 1 0 240.734 2.207 10 0 BEAERO CN(C)[C@@H](C[NH2+]Cc1ccoc1)c1ccco1 ZINC000062103354 641020240 /nfs/dbraw/zinc/02/02/40/641020240.db2.gz RAXDYCNWGMPNEF-LBPRGKRZSA-N 1 0 234.299 2.265 10 0 BEAERO Cc1csc(CC[NH2+]Cc2ccoc2)n1 ZINC000062103613 641021684 /nfs/dbraw/zinc/02/16/84/641021684.db2.gz XTSVKXISANVZKH-UHFFFAOYSA-N 1 0 222.313 2.377 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CC2(O)CCCCC2)o1 ZINC000230647779 641075047 /nfs/dbraw/zinc/07/50/47/641075047.db2.gz RNXWQUAARWYABO-NSHDSACASA-N 1 0 238.331 2.329 10 0 BEAERO COc1ccc(C[C@@H](C)[NH2+]C2CC(OC)C2)cc1 ZINC000230673780 641079927 /nfs/dbraw/zinc/07/99/27/641079927.db2.gz UJNNFEKBVODVRS-NUYPLMSZSA-N 1 0 249.354 2.393 10 0 BEAERO COC[C@H](C)C[NH2+][C@@H](C)Cc1ccco1 ZINC000062772075 641088871 /nfs/dbraw/zinc/08/88/71/641088871.db2.gz OYOMYPRYVUICGO-MNOVXSKESA-N 1 0 211.305 2.083 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@@H](C(C)C)C2 ZINC000231017614 641125566 /nfs/dbraw/zinc/12/55/66/641125566.db2.gz BEJYAJXCKAWCTN-DYEKYZERSA-N 1 0 239.359 2.211 10 0 BEAERO CC[C@H](C)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084479 641127539 /nfs/dbraw/zinc/12/75/39/641127539.db2.gz IIQZGTPKBOBZQG-UWVGGRQHSA-N 1 0 223.320 2.125 10 0 BEAERO Cc1ccoc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084476 641127896 /nfs/dbraw/zinc/12/78/96/641127896.db2.gz HHQRAYWWCGAJBT-JTQLQIEISA-N 1 0 247.298 2.180 10 0 BEAERO CCC[C@](C)(O)C[NH2+]CCc1ccccc1 ZINC000232008337 641227484 /nfs/dbraw/zinc/22/74/84/641227484.db2.gz LZGBLUCCUUUQNM-AWEZNQCLSA-N 1 0 221.344 2.370 10 0 BEAERO c1cc2c(c(C3CCOCC3)c1)C[NH2+]CC2 ZINC000232556117 641298794 /nfs/dbraw/zinc/29/87/94/641298794.db2.gz IFYMVMSTZGWARM-UHFFFAOYSA-N 1 0 217.312 2.226 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1nc([C@H]2CC2(C)C)no1 ZINC000232592751 641303588 /nfs/dbraw/zinc/30/35/88/641303588.db2.gz JYHHREMEBCQOBE-NXEZZACHSA-N 1 0 237.347 2.499 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1nc([C@@H]2CC2(C)C)no1 ZINC000232592588 641304594 /nfs/dbraw/zinc/30/45/94/641304594.db2.gz JYHHREMEBCQOBE-ZJUUUORDSA-N 1 0 237.347 2.499 10 0 BEAERO CC/C=C(/C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746687 641535333 /nfs/dbraw/zinc/53/53/33/641535333.db2.gz KHWCWRXVLPXQGO-BXBHIVOYSA-N 1 0 236.359 2.084 10 0 BEAERO CCCN(CCC[NH2+]C1CC1)CC(F)(F)F ZINC000042779809 641558623 /nfs/dbraw/zinc/55/86/23/641558623.db2.gz CDHHUAWCMKYRTG-UHFFFAOYSA-N 1 0 238.297 2.403 10 0 BEAERO CC[N@H+](CCOC)[C@H](C)[C@H](O)c1ccccc1 ZINC000044173060 641587694 /nfs/dbraw/zinc/58/76/94/641587694.db2.gz OPEJPMSBYDMHAN-OCCSQVGLSA-N 1 0 237.343 2.077 10 0 BEAERO Clc1cccc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000045949600 641617986 /nfs/dbraw/zinc/61/79/86/641617986.db2.gz QSMKJZPYDXKOLD-VIFPVBQESA-N 1 0 225.723 2.147 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089385568 641671932 /nfs/dbraw/zinc/67/19/32/641671932.db2.gz FDHBVMBVEMZZDO-OLZOCXBDSA-N 1 0 240.391 2.400 10 0 BEAERO CC1CCN(C(=O)[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089385502 641673352 /nfs/dbraw/zinc/67/33/52/641673352.db2.gz JCHKEHIYZYCIHN-QWHCGFSZSA-N 1 0 238.375 2.010 10 0 BEAERO CN(C(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089385524 641673589 /nfs/dbraw/zinc/67/35/89/641673589.db2.gz MSKFLPBNIQKMOS-TZMCWYRMSA-N 1 0 246.354 2.415 10 0 BEAERO CCC(CC)CNc1cc[nH+]cc1CO ZINC000130513324 642065765 /nfs/dbraw/zinc/06/57/65/642065765.db2.gz FYRVSYQSQCDVJE-UHFFFAOYSA-N 1 0 208.305 2.422 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(C)c1ccc(C)c(Cl)c1 ZINC000077386878 642393209 /nfs/dbraw/zinc/39/32/09/642393209.db2.gz MWZQNRFKZZZINR-SECBINFHSA-N 1 0 240.734 2.219 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC000070880533 642448804 /nfs/dbraw/zinc/44/88/04/642448804.db2.gz ONGBQWOINJHYEE-SMDDNHRTSA-N 1 0 219.328 2.417 10 0 BEAERO CCCc1noc([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000071001545 642450427 /nfs/dbraw/zinc/45/04/27/642450427.db2.gz AFPPEEFOFXNADB-ZJUUUORDSA-N 1 0 223.320 2.397 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C/C=C/Cl ZINC000175350253 642678609 /nfs/dbraw/zinc/67/86/09/642678609.db2.gz WZPVQBZLSAUFHM-OKPNEXGHSA-N 1 0 216.756 2.155 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC2(CCCC2)C1 ZINC000305878125 642710134 /nfs/dbraw/zinc/71/01/34/642710134.db2.gz ZIAHECXNPLYGBC-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)(C)Cc1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000068847668 642803658 /nfs/dbraw/zinc/80/36/58/642803658.db2.gz GBHPOPOHQRYQAL-JTQLQIEISA-N 1 0 237.347 2.200 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C2CC2)c1 ZINC000070881952 643074865 /nfs/dbraw/zinc/07/48/65/643074865.db2.gz ZEABHUOSMGIDNL-BXUZGUMPSA-N 1 0 219.328 2.417 10 0 BEAERO CC[C@H]([NH3+])c1ccc(O)c2ncccc12 ZINC000071453878 643148871 /nfs/dbraw/zinc/14/88/71/643148871.db2.gz VUYDXDCICRLBCH-JTQLQIEISA-N 1 0 202.257 2.350 10 0 BEAERO C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)OC(C)(C)C ZINC000306615981 643197192 /nfs/dbraw/zinc/19/71/92/643197192.db2.gz BVTGHCROIMKPME-JTQLQIEISA-N 1 0 242.363 2.241 10 0 BEAERO [NH3+][C@@H](c1ccc(=O)c2ccc[nH]c1-2)C1CC1 ZINC000757132696 643258615 /nfs/dbraw/zinc/25/86/15/643258615.db2.gz ILLZMFDCFWYFJP-GFCCVEGCSA-N 1 0 214.268 2.350 10 0 BEAERO [NH3+][C@H](c1ccc(=O)c2ccc[nH]c1-2)C1CC1 ZINC000757132698 643259300 /nfs/dbraw/zinc/25/93/00/643259300.db2.gz ILLZMFDCFWYFJP-LBPRGKRZSA-N 1 0 214.268 2.350 10 0 BEAERO CC[C@H](C)c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000082561091 643342532 /nfs/dbraw/zinc/34/25/32/643342532.db2.gz YZUWOJJSOKVPAA-UWVGGRQHSA-N 1 0 223.320 2.125 10 0 BEAERO CC[C@@H]([NH3+])CNc1ncnc2sc(C)cc21 ZINC000082579415 643345100 /nfs/dbraw/zinc/34/51/00/643345100.db2.gz ORVRLTRXRPUUDC-MRVPVSSYSA-N 1 0 236.344 2.149 10 0 BEAERO C[C@H]([NH3+])CN(C)c1ncc(Cl)cc1Cl ZINC000082592502 643350862 /nfs/dbraw/zinc/35/08/62/643350862.db2.gz ZLEVMLNBIKICGC-LURJTMIESA-N 1 0 234.130 2.172 10 0 BEAERO CC(C)Cc1ccc(N)c2c1CC[NH2+]C2 ZINC000757211188 643371245 /nfs/dbraw/zinc/37/12/45/643371245.db2.gz GYXFITXPXXSYDN-UHFFFAOYSA-N 1 0 204.317 2.113 10 0 BEAERO Nc1cccc(-c2ccc(N)c3c2CC[NH2+]C3)c1 ZINC000757211112 643371446 /nfs/dbraw/zinc/37/14/46/643371446.db2.gz GEGIOKLOZDEPLT-UHFFFAOYSA-N 1 0 239.322 2.164 10 0 BEAERO CC(C)[C@H]1CN(c2cccc(Cl)n2)CC[NH2+]1 ZINC000083367620 643442459 /nfs/dbraw/zinc/44/24/59/643442459.db2.gz UWGAGHPWMHXNFG-SNVBAGLBSA-N 1 0 239.750 2.169 10 0 BEAERO Cc1ccc(C)c(-c2ccc(=O)n(CC[NH3+])c2)c1 ZINC000049831015 643472700 /nfs/dbraw/zinc/47/27/00/643472700.db2.gz PDBOEXVLXLBQSI-UHFFFAOYSA-N 1 0 242.322 2.091 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000049948865 643563336 /nfs/dbraw/zinc/56/33/36/643563336.db2.gz STQICBHDIQNYKS-QWRGUYRKSA-N 1 0 211.330 2.405 10 0 BEAERO CCc1nc(C[NH2+][C@H]2CCC[C@H]2OC)cs1 ZINC000049948603 643563432 /nfs/dbraw/zinc/56/34/32/643563432.db2.gz KCBJUIAGSXECAA-WDEREUQCSA-N 1 0 240.372 2.363 10 0 BEAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000049988979 643574728 /nfs/dbraw/zinc/57/47/28/643574728.db2.gz KHCJCOHIODQAIC-ZDUSSCGKSA-N 1 0 246.354 2.348 10 0 BEAERO CCN(C(=O)[C@@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000049988978 643575842 /nfs/dbraw/zinc/57/58/42/643575842.db2.gz KHCJCOHIODQAIC-CYBMUJFWSA-N 1 0 246.354 2.348 10 0 BEAERO C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H]1CCCO1 ZINC000085977688 643626005 /nfs/dbraw/zinc/62/60/05/643626005.db2.gz LHVWOXJCMXPLQV-YJMLGRAPSA-N 1 0 224.131 2.463 10 0 BEAERO CC[C@H](C)c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305560 643657534 /nfs/dbraw/zinc/65/75/34/643657534.db2.gz IJQOKYWKBFYRIE-AEJSXWLSSA-N 1 0 223.320 2.426 10 0 BEAERO CCCCCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309658 643658093 /nfs/dbraw/zinc/65/80/93/643658093.db2.gz BHZMETFSDJTOSN-NEPJUHHUSA-N 1 0 226.364 2.058 10 0 BEAERO CC(C)Cc1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084305420 643658216 /nfs/dbraw/zinc/65/82/16/643658216.db2.gz BXDZRAOLQFWCSH-UWVGGRQHSA-N 1 0 223.320 2.111 10 0 BEAERO CC(C)(C)Cc1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000085007956 643677754 /nfs/dbraw/zinc/67/77/54/643677754.db2.gz MPAJMPGWUFZQJM-DTWKUNHWSA-N 1 0 223.320 2.253 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000050369263 643691350 /nfs/dbraw/zinc/69/13/50/643691350.db2.gz SRIWLYLXPWVWCN-DRZSPHRISA-N 1 0 220.316 2.300 10 0 BEAERO Cc1nc(C)c(C[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000080694044 644283422 /nfs/dbraw/zinc/28/34/22/644283422.db2.gz LCBCXGFMIMVRSB-WDEREUQCSA-N 1 0 240.372 2.153 10 0 BEAERO Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000080694042 644284279 /nfs/dbraw/zinc/28/42/79/644284279.db2.gz LCBCXGFMIMVRSB-GHMZBOCLSA-N 1 0 240.372 2.153 10 0 BEAERO CCc1ccsc1-c1nc(CC[NH2+]C)no1 ZINC000087017548 644475482 /nfs/dbraw/zinc/47/54/82/644475482.db2.gz AABPVHSDKIDMRT-UHFFFAOYSA-N 1 0 237.328 2.122 10 0 BEAERO Cc1nc(C[NH2+]CC[C@@H]2CCCO2)sc1C ZINC000087375682 644493141 /nfs/dbraw/zinc/49/31/41/644493141.db2.gz GXLGPCVTWWVQQI-NSHDSACASA-N 1 0 240.372 2.419 10 0 BEAERO [NH3+]C1CC(CNc2cc(C(F)(F)F)ccn2)C1 ZINC000090805178 644605032 /nfs/dbraw/zinc/60/50/32/644605032.db2.gz APDBJBQKNCIWGL-UHFFFAOYSA-N 1 0 245.248 2.250 10 0 BEAERO CCCCCC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000246975681 644615148 /nfs/dbraw/zinc/61/51/48/644615148.db2.gz LJRMBDXSUGDTBU-AWEZNQCLSA-N 1 0 242.407 2.219 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248001982 644659572 /nfs/dbraw/zinc/65/95/72/644659572.db2.gz KMCMGSOEMXTDHI-QWHCGFSZSA-N 1 0 241.451 2.491 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccoc1)CC2 ZINC000093585961 644695117 /nfs/dbraw/zinc/69/51/17/644695117.db2.gz RNZQDLXWLBFAHO-ZIAGYGMSSA-N 1 0 235.327 2.407 10 0 BEAERO C[C@@H]1C[C@@H]1c1noc([C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000252115825 644835142 /nfs/dbraw/zinc/83/51/42/644835142.db2.gz KFBNICUQTSYIIQ-ZNSHCXBVSA-N 1 0 235.331 2.426 10 0 BEAERO C(c1noc(C2CCCC2)n1)[C@H]1CCC[NH2+]1 ZINC000096892743 644847767 /nfs/dbraw/zinc/84/77/67/644847767.db2.gz SYKGIKZEXGXIFG-SNVBAGLBSA-N 1 0 221.304 2.022 10 0 BEAERO C[NH2+][C@@H](C)CNc1ncnc2sc(C)cc21 ZINC000304250846 644882516 /nfs/dbraw/zinc/88/25/16/644882516.db2.gz HEGCAZODYVEUNT-ZETCQYMHSA-N 1 0 236.344 2.020 10 0 BEAERO C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000252742098 644896669 /nfs/dbraw/zinc/89/66/69/644896669.db2.gz XICZFWIKCWAPMP-SRVKXCTJSA-N 1 0 240.391 2.173 10 0 BEAERO CCOC(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)OCC ZINC000304613325 644922286 /nfs/dbraw/zinc/92/22/86/644922286.db2.gz SAOGLMQECMFCSS-QJPTWQEYSA-N 1 0 227.348 2.164 10 0 BEAERO CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)C1CC1 ZINC000214199583 645847995 /nfs/dbraw/zinc/84/79/95/645847995.db2.gz UZAQAJUIZIBOLC-OLZOCXBDSA-N 1 0 211.349 2.412 10 0 BEAERO OC[C@H]1CCCC[N@@H+]1CCSC(F)(F)F ZINC000123699026 645920563 /nfs/dbraw/zinc/92/05/63/645920563.db2.gz UBFJFQUSUGJOET-MRVPVSSYSA-N 1 0 243.294 2.086 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2cccc(Cl)n2)C1 ZINC000724076077 711559481 /nfs/dbraw/zinc/55/94/81/711559481.db2.gz RYRKTTKITNNTDV-RKDXNWHRSA-N 1 0 225.723 2.274 10 0 BEAERO CC(=O)[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000725635217 711667407 /nfs/dbraw/zinc/66/74/07/711667407.db2.gz ANLANGOQHWASSV-GDKBPFBDSA-N 1 0 209.333 2.334 10 0 BEAERO CC(C)C1CC([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000232539136 711709294 /nfs/dbraw/zinc/70/92/94/711709294.db2.gz YEWOOMWQOCWLDG-KPFVRQRISA-N 1 0 211.349 2.314 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCCSC1)N1CCCCC1 ZINC000061588823 711839006 /nfs/dbraw/zinc/83/90/06/711839006.db2.gz COZMWTRXIIQDGG-OLZOCXBDSA-N 1 0 242.432 2.346 10 0 BEAERO C[NH2+]C[C@H](C)Nc1ncnc2sc(C)cc21 ZINC000701898555 712031847 /nfs/dbraw/zinc/03/18/47/712031847.db2.gz ITHZPIMBYHACDV-ZETCQYMHSA-N 1 0 236.344 2.020 10 0 BEAERO CCCCCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000706791264 712155133 /nfs/dbraw/zinc/15/51/33/712155133.db2.gz RMEZHCVLIROWBY-RWMBFGLXSA-N 1 0 229.364 2.085 10 0 BEAERO CSC1CC([NH2+]Cc2ccnn2C(C)C)C1 ZINC000708267402 712184523 /nfs/dbraw/zinc/18/45/23/712184523.db2.gz YYOOHLFWGYNYIA-UHFFFAOYSA-N 1 0 239.388 2.448 10 0 BEAERO C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CO ZINC000708698018 712197389 /nfs/dbraw/zinc/19/73/89/712197389.db2.gz IBDHQJMIHFQJLH-YPMHNXCESA-N 1 0 211.349 2.127 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709988416 712237968 /nfs/dbraw/zinc/23/79/68/712237968.db2.gz YXRCNGDRVYFPQC-AXFHLTTASA-N 1 0 207.321 2.259 10 0 BEAERO CN(CCCCCC[NH3+])C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000710692285 712254896 /nfs/dbraw/zinc/25/48/96/712254896.db2.gz ISPJKBUHDSVWFE-CLLJXQQHSA-N 1 0 238.375 2.010 10 0 BEAERO CN(CCCCCC[NH3+])c1ccccn1 ZINC000710752415 712256061 /nfs/dbraw/zinc/25/60/61/712256061.db2.gz ZBNCVQJVLWDTFK-UHFFFAOYSA-N 1 0 207.321 2.037 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710670322 712265591 /nfs/dbraw/zinc/26/55/91/712265591.db2.gz KTNFCNLVGVJTTJ-ZYHUDNBSSA-N 1 0 240.372 2.093 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711007196 712274327 /nfs/dbraw/zinc/27/43/27/712274327.db2.gz FCIHDBDYFLAJBW-RQJABVFESA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C)CC(C)(C)C1 ZINC000712556778 712444826 /nfs/dbraw/zinc/44/48/26/712444826.db2.gz KRVGKNAEKJULEO-UPJWGTAASA-N 1 0 224.392 2.495 10 0 BEAERO C[C@H]([NH2+]Cc1scnc1Cl)[C@H]1CCCO1 ZINC000713445941 712460365 /nfs/dbraw/zinc/46/03/65/712460365.db2.gz AOIXCWXVZPPJPB-JGVFFNPUSA-N 1 0 246.763 2.454 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000713525612 712464451 /nfs/dbraw/zinc/46/44/51/712464451.db2.gz FFBCVGJRKGWFTG-NEPJUHHUSA-N 1 0 243.391 2.188 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCC(C)(C)CO1 ZINC000713571865 712465475 /nfs/dbraw/zinc/46/54/75/712465475.db2.gz WCNZERAQJACICA-UPJWGTAASA-N 1 0 241.375 2.037 10 0 BEAERO COCC1CC([NH2+]Cc2ccoc2C)C1 ZINC000713972320 712475680 /nfs/dbraw/zinc/47/56/80/712475680.db2.gz XHOLSCFNXAXYED-UHFFFAOYSA-N 1 0 209.289 2.103 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717274565 712641852 /nfs/dbraw/zinc/64/18/52/712641852.db2.gz QUDGFFVDMHNYRF-NWDGAFQWSA-N 1 0 243.391 2.188 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000718792797 712784229 /nfs/dbraw/zinc/78/42/29/712784229.db2.gz VADMOLNNVXAUQX-FQUUOJAGSA-N 1 0 241.375 2.491 10 0 BEAERO COC1CC([NH2+][C@H]2CCC[C@H](OC)CC2)C1 ZINC000718855898 712786038 /nfs/dbraw/zinc/78/60/38/712786038.db2.gz AFQOTKBIPXNWAG-QCXCNERSSA-N 1 0 227.348 2.101 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C/C=C\CO ZINC000719209433 712800202 /nfs/dbraw/zinc/80/02/02/712800202.db2.gz YQCYMXMSXBPYEP-ZHRWSRJISA-N 1 0 211.349 2.483 10 0 BEAERO COC[C@@](C)(O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719264134 712802009 /nfs/dbraw/zinc/80/20/09/712802009.db2.gz DWDZJTVXVAFXMQ-JSGCOSHPSA-N 1 0 243.391 2.332 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]CCCOCCO ZINC000719238960 712800656 /nfs/dbraw/zinc/80/06/56/712800656.db2.gz PTWVUFRZQSBEHA-ZDUSSCGKSA-N 1 0 243.391 2.334 10 0 BEAERO Cn1cnc(C[NH2+][C@H]2CCCCCC2(C)C)n1 ZINC000719285232 712803504 /nfs/dbraw/zinc/80/35/04/712803504.db2.gz HYYYMFKVKMWVML-NSHDSACASA-N 1 0 236.363 2.264 10 0 BEAERO CC(C)(C[NH3+])Cc1nc([C@H]2CC2(C)C)no1 ZINC000720850409 712870725 /nfs/dbraw/zinc/87/07/25/712870725.db2.gz JXXZBPQIZHDHNE-MRVPVSSYSA-N 1 0 223.320 2.111 10 0 BEAERO CC(C)c1nsc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721935528 710693771 /nfs/dbraw/zinc/69/37/71/710693771.db2.gz UTRDPAZUQMCBGM-QMMMGPOBSA-N 1 0 240.376 2.071 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(Cl)cn1 ZINC000723810117 710732073 /nfs/dbraw/zinc/73/20/73/710732073.db2.gz JSTJVTOLVIMMIC-BDAKNGLRSA-N 1 0 225.723 2.002 10 0 BEAERO Cc1cnc(CN[C@H](C)[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000724048033 710736208 /nfs/dbraw/zinc/73/62/08/710736208.db2.gz LELYEXBSHXDHJL-KGLIPLIRSA-N 1 0 247.386 2.319 10 0 BEAERO Cc1cnc(C[NH2+]C[C@H]2C[C@@H]2C)c(C)c1 ZINC000724087628 710736651 /nfs/dbraw/zinc/73/66/51/710736651.db2.gz XCYLHYLLJJOVTH-CMPLNLGQSA-N 1 0 204.317 2.444 10 0 BEAERO Cc1cnc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000724084987 710736826 /nfs/dbraw/zinc/73/68/26/710736826.db2.gz GSWBKRIFIQWGCF-KBPBESRZSA-N 1 0 247.386 2.176 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000724294763 710738187 /nfs/dbraw/zinc/73/81/87/710738187.db2.gz CIYQXGQALSWIGH-MHDGFBEUSA-N 1 0 241.375 2.347 10 0 BEAERO C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)C(C)(C)C1 ZINC000380533919 712901309 /nfs/dbraw/zinc/90/13/09/712901309.db2.gz DDNLDRIQMSBJIY-UNXYVOJBSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C(C)(C)C1 ZINC000380564034 712901521 /nfs/dbraw/zinc/90/15/21/712901521.db2.gz NQYXUZFWZYJMKY-TUAOUCFPSA-N 1 0 238.375 2.008 10 0 BEAERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@](C)(C[NH3+])C1 ZINC000381137065 710604270 /nfs/dbraw/zinc/60/42/70/710604270.db2.gz OXXORAXNMKJPRJ-ZDUSSCGKSA-N 1 0 249.314 2.078 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000296362402 711508084 /nfs/dbraw/zinc/50/80/84/711508084.db2.gz SDNKOESZKPFRRE-ZLDLUXBVSA-N 1 0 231.339 2.172 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723572459 711519181 /nfs/dbraw/zinc/51/91/81/711519181.db2.gz AVNMYHRJXLZJCN-CXQJBGSLSA-N 1 0 209.333 2.070 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723625035 711526449 /nfs/dbraw/zinc/52/64/49/711526449.db2.gz NGHNEDSVKLQTMF-MLGHIDQZSA-N 1 0 209.333 2.190 10 0 BEAERO CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724305225 711573876 /nfs/dbraw/zinc/57/38/76/711573876.db2.gz WLFUWUAYMRODHY-XVIXHAIJSA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000309054606 711586161 /nfs/dbraw/zinc/58/61/61/711586161.db2.gz SYJZMHNGJOYUGL-HRDYMLBCSA-N 1 0 228.723 2.155 10 0 BEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1cc(F)ncn1 ZINC000136889515 711649954 /nfs/dbraw/zinc/64/99/54/711649954.db2.gz MAMYAOUTDIAOSW-JTQLQIEISA-N 1 0 240.326 2.004 10 0 BEAERO C[C@H]1CCC[C@@]1(O)C[NH2+]CCc1ccccc1 ZINC000328125693 711689788 /nfs/dbraw/zinc/68/97/88/711689788.db2.gz UABBQYBGSGMVQI-DZGCQCFKSA-N 1 0 233.355 2.370 10 0 BEAERO c1cc2c([nH]1)CCC[C@@H]2[NH2+]C1CCOCC1 ZINC000309424959 711698098 /nfs/dbraw/zinc/69/80/98/711698098.db2.gz BMPASCNZGOMYHI-ZDUSSCGKSA-N 1 0 220.316 2.161 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccnc(Cl)c2)C1 ZINC000309473345 711698321 /nfs/dbraw/zinc/69/83/21/711698321.db2.gz RFXHSFABQYVGSO-MWLCHTKSSA-N 1 0 239.750 2.487 10 0 BEAERO Cc1ccc(C)c([C@H](C)N(C)CC[NH3+])c1 ZINC000054416855 711726135 /nfs/dbraw/zinc/72/61/35/711726135.db2.gz KPBZCWGMYLYODA-LBPRGKRZSA-N 1 0 206.333 2.255 10 0 BEAERO CCCn1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000722374274 711751857 /nfs/dbraw/zinc/75/18/57/711751857.db2.gz HTVCYUSBELEGMH-RYUDHWBXSA-N 1 0 236.363 2.093 10 0 BEAERO C[C@@H]1CCC[C@@H]1c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000225421101 711756597 /nfs/dbraw/zinc/75/65/97/711756597.db2.gz MRJSBCIDXVMKTO-MXWKQRLJSA-N 1 0 235.331 2.440 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000721246250 711794298 /nfs/dbraw/zinc/79/42/98/711794298.db2.gz QRNOVWZLDBBHGV-RQJABVFESA-N 1 0 241.375 2.491 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2ccoc2)C1 ZINC000228277461 711834373 /nfs/dbraw/zinc/83/43/73/711834373.db2.gz YWZJFIGLAITSNQ-DGCLKSJQSA-N 1 0 222.332 2.098 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2C=CCC2)[C@@H]2CCO[C@H]21 ZINC000700502746 711846595 /nfs/dbraw/zinc/84/65/95/711846595.db2.gz MXGXZXVUUOTTRF-WRWGMCAJSA-N 1 0 207.317 2.108 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C[C@]1(C)CC1(C)C ZINC000702339587 711869269 /nfs/dbraw/zinc/86/92/69/711869269.db2.gz SMGITSBKXINDOD-JSGCOSHPSA-N 1 0 243.391 2.190 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@H](C)O ZINC000360996895 711978430 /nfs/dbraw/zinc/97/84/30/711978430.db2.gz LYIUJXGHMIDHNA-ISTVAULSSA-N 1 0 235.327 2.129 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cncc(OC)c1 ZINC000700010232 711982837 /nfs/dbraw/zinc/98/28/37/711982837.db2.gz CAZXPXMTYCYJPZ-DGCLKSJQSA-N 1 0 220.316 2.368 10 0 BEAERO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700466625 711993366 /nfs/dbraw/zinc/99/33/66/711993366.db2.gz CDZFBGOHIWUELZ-QWRGUYRKSA-N 1 0 235.331 2.159 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCC2(C)C)n1 ZINC000700466381 711993956 /nfs/dbraw/zinc/99/39/56/711993956.db2.gz UHVBMDZEHHFCCA-JTQLQIEISA-N 1 0 235.331 2.159 10 0 BEAERO CCC1([NH2+]Cc2nc(C)cc(=O)[nH]2)CCCC1 ZINC000700480733 711994288 /nfs/dbraw/zinc/99/42/88/711994288.db2.gz TWZJCDOXOQANHW-UHFFFAOYSA-N 1 0 235.331 2.303 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@@H](C)Oc2ccccc2)n1 ZINC000700674955 712001680 /nfs/dbraw/zinc/00/16/80/712001680.db2.gz HTDRLFFTHXXNBT-NXEZZACHSA-N 1 0 247.298 2.272 10 0 BEAERO Cc1ncc(CN[C@H]2COc3ccccc32)o1 ZINC000700828541 712007132 /nfs/dbraw/zinc/00/71/32/712007132.db2.gz ACYPBKITTYUKHD-LBPRGKRZSA-N 1 0 230.267 2.206 10 0 BEAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1(Cl)CC1 ZINC000702262506 712042326 /nfs/dbraw/zinc/04/23/26/712042326.db2.gz HJJBAGUVRZPPPI-BDAKNGLRSA-N 1 0 219.756 2.143 10 0 BEAERO C[C@@H]([NH2+]Cc1c(F)ccc(F)c1Cl)[C@H](C)O ZINC000705553936 712132785 /nfs/dbraw/zinc/13/27/85/712132785.db2.gz GNLYZDGRNFBGFQ-RQJHMYQMSA-N 1 0 249.688 2.477 10 0 BEAERO CCCCCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000706791263 712155154 /nfs/dbraw/zinc/15/51/54/712155154.db2.gz RMEZHCVLIROWBY-AVGNSLFASA-N 1 0 229.364 2.085 10 0 BEAERO CSC1CC([NH2+]Cc2oc(C)nc2C)C1 ZINC000706776334 712155455 /nfs/dbraw/zinc/15/54/55/712155455.db2.gz RTSVPZFRBCPQHD-UHFFFAOYSA-N 1 0 226.345 2.275 10 0 BEAERO CSC1CC([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000706881150 712158461 /nfs/dbraw/zinc/15/84/61/712158461.db2.gz ZUWJSYGNLOJFDE-IDWGSYCQSA-N 1 0 215.362 2.038 10 0 BEAERO COCCC[C@@H](C)[NH2+]C1CC(SC)C1 ZINC000708266550 712185032 /nfs/dbraw/zinc/18/50/32/712185032.db2.gz RWXKQRLHLRBHBQ-KPPDAEKUSA-N 1 0 217.378 2.285 10 0 BEAERO C[C@@H]1C[N@H+](CCSC(C)(C)C)C[C@H]1CO ZINC000708622139 712195512 /nfs/dbraw/zinc/19/55/12/712195512.db2.gz DRUVYLCBRYTYHZ-MNOVXSKESA-N 1 0 231.405 2.078 10 0 BEAERO C[C@@H]1C[N@H+](CC2(C)CCCC2)C[C@H]1CO ZINC000708623269 712195663 /nfs/dbraw/zinc/19/56/63/712195663.db2.gz LAZTULAAWKKDEG-NEPJUHHUSA-N 1 0 211.349 2.127 10 0 BEAERO CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708699647 712197438 /nfs/dbraw/zinc/19/74/38/712197438.db2.gz YGPLXEDRJYZVON-VWYCJHECSA-N 1 0 235.318 2.228 10 0 BEAERO C[C@@H]1CN(Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000708862479 712201608 /nfs/dbraw/zinc/20/16/08/712201608.db2.gz HEQORARWJNFYEJ-BDAKNGLRSA-N 1 0 244.791 2.428 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2cc(C)oc2C)C1 ZINC000709180513 712205215 /nfs/dbraw/zinc/20/52/15/712205215.db2.gz IVRLRGWVTVLNDD-ZDUSSCGKSA-N 1 0 222.332 2.080 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCC(=O)N[C@H]1C)CC(C)(C)C ZINC000709082920 712208085 /nfs/dbraw/zinc/20/80/85/712208085.db2.gz PJHOMUXDJRKBBA-SRVKXCTJSA-N 1 0 240.391 2.315 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000709122937 712209183 /nfs/dbraw/zinc/20/91/83/712209183.db2.gz DZJPFLGDXBXKHP-OWTLIXCDSA-N 1 0 238.375 2.199 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711045394 712276700 /nfs/dbraw/zinc/27/67/00/712276700.db2.gz IBRVMRJQFQYQFB-XHJNMGKDSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711116982 712282092 /nfs/dbraw/zinc/28/20/92/712282092.db2.gz DVCXQANQSXPNNR-IEECTRCBSA-N 1 0 209.333 2.332 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](C)C(C)(C)C)C[C@@H]1C ZINC000711128783 712285877 /nfs/dbraw/zinc/28/58/77/712285877.db2.gz HSTTUHBWZZYJMK-QJPTWQEYSA-N 1 0 241.375 2.410 10 0 BEAERO [NH3+]C1(c2ncc(-c3ccccc3)cn2)CCC1 ZINC000711302286 712293620 /nfs/dbraw/zinc/29/36/20/712293620.db2.gz NXFCNEZZPXROJV-UHFFFAOYSA-N 1 0 225.295 2.482 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711413137 712298751 /nfs/dbraw/zinc/29/87/51/712298751.db2.gz ICCPOJVBDFGOLP-RYUDHWBXSA-N 1 0 241.375 2.085 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](CF)C2)C1 ZINC000711450918 712301780 /nfs/dbraw/zinc/30/17/80/712301780.db2.gz MHDXIFDTHIZCBE-FRRDWIJNSA-N 1 0 229.339 2.219 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000378682899 712357787 /nfs/dbraw/zinc/35/77/87/712357787.db2.gz YJPWMPIHEZPERK-RKQHYHRCSA-N 1 0 223.360 2.316 10 0 BEAERO C(c1noc([C@H]2CCC[NH2+]C2)n1)C1CCCC1 ZINC000379112901 712369679 /nfs/dbraw/zinc/36/96/79/712369679.db2.gz VUPZPRBNUSQDKK-NSHDSACASA-N 1 0 235.331 2.269 10 0 BEAERO CC(C)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000379714265 712392482 /nfs/dbraw/zinc/39/24/82/712392482.db2.gz HYOZHVGUXLLXQG-AEGPPILISA-N 1 0 232.371 2.458 10 0 BEAERO CC[N@@H+]1CC[C@@H]1CNc1nccnc1C(C)C ZINC000712590680 712435195 /nfs/dbraw/zinc/43/51/95/712435195.db2.gz FAFKZVYIXRLZTH-LLVKDONJSA-N 1 0 234.347 2.106 10 0 BEAERO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000713062620 712451950 /nfs/dbraw/zinc/45/19/50/712451950.db2.gz CEPISAXTKRGWFT-XKGSQUFQSA-N 1 0 238.375 2.055 10 0 BEAERO CN(c1ccccn1)C1(C[NH3+])CCCCC1 ZINC000713361084 712459700 /nfs/dbraw/zinc/45/97/00/712459700.db2.gz FKSLBJBDYPMAAU-UHFFFAOYSA-N 1 0 219.332 2.179 10 0 BEAERO C[C@H](C[NH3+])c1noc(C[C@H]2CCCC2(F)F)n1 ZINC000713932109 712473724 /nfs/dbraw/zinc/47/37/24/712473724.db2.gz SWBUCYKMDBTUMI-HTQZYQBOSA-N 1 0 245.273 2.110 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000713958696 712474997 /nfs/dbraw/zinc/47/49/97/712474997.db2.gz IBOWDGDQAOKKLM-HHTDUIENSA-N 1 0 241.375 2.205 10 0 BEAERO COCC1CC([NH2+]Cc2c(F)cccc2F)C1 ZINC000713960052 712475109 /nfs/dbraw/zinc/47/51/09/712475109.db2.gz NVIUHEHEKGQLNS-UHFFFAOYSA-N 1 0 241.281 2.479 10 0 BEAERO COCC1CC([NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000713977426 712475653 /nfs/dbraw/zinc/47/56/53/712475653.db2.gz GKOBLPWFIOBGJD-ZYGVAYEYSA-N 1 0 229.389 2.285 10 0 BEAERO COCC1CC([NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000713985453 712476381 /nfs/dbraw/zinc/47/63/81/712476381.db2.gz PDMUFZWSBSGVPJ-IDKOKCKLSA-N 1 0 217.740 2.161 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2ccoc2)C1 ZINC000713996374 712477142 /nfs/dbraw/zinc/47/71/42/712477142.db2.gz LFTIOLNVROEYMJ-GRZMOONWSA-N 1 0 209.289 2.355 10 0 BEAERO CC1(C)CCC[C@@H](C[N@@H+]2CC[C@@H](CCO)C2)O1 ZINC000714387046 712487255 /nfs/dbraw/zinc/48/72/55/712487255.db2.gz VFFMGJIHTMVMMX-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO CCCn1cc(C[NH2+][C@H](CC)C(C)C)nn1 ZINC000714487340 712492190 /nfs/dbraw/zinc/49/21/90/712492190.db2.gz MLSUFFGYEOQVJK-GFCCVEGCSA-N 1 0 224.352 2.212 10 0 BEAERO CCC1([NH3+])CCN([C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000714752915 712497078 /nfs/dbraw/zinc/49/70/78/712497078.db2.gz FJWJZDHURZUVLJ-NWDGAFQWSA-N 1 0 248.374 2.092 10 0 BEAERO CCC1([NH3+])CCN(c2nc3ccccc3[nH]2)CC1 ZINC000714751847 712497169 /nfs/dbraw/zinc/49/71/69/712497169.db2.gz INWPSZXGTJUQAQ-UHFFFAOYSA-N 1 0 244.342 2.271 10 0 BEAERO CCC1([NH3+])CCN([C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000714752916 712497418 /nfs/dbraw/zinc/49/74/18/712497418.db2.gz FJWJZDHURZUVLJ-RYUDHWBXSA-N 1 0 248.374 2.092 10 0 BEAERO CCC1([NH3+])CCN([C@H](C)c2nccnc2C)CC1 ZINC000714760036 712498069 /nfs/dbraw/zinc/49/80/69/712498069.db2.gz ZRAWVGYIFMMFAU-GFCCVEGCSA-N 1 0 248.374 2.049 10 0 BEAERO CCCCC[C@@H](C)NC(=O)[C@@H]([NH3+])CCC ZINC000036873378 712506572 /nfs/dbraw/zinc/50/65/72/712506572.db2.gz CTTXLIRDCFOXEJ-MNOVXSKESA-N 1 0 214.353 2.199 10 0 BEAERO Cc1nc2ccccc2nc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715097886 712508458 /nfs/dbraw/zinc/50/84/58/712508458.db2.gz VYUDQBPEZCKPKH-PHIMTYICSA-N 1 0 242.326 2.087 10 0 BEAERO CC(C)OC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000715521864 712525494 /nfs/dbraw/zinc/52/54/94/712525494.db2.gz IONYQPMSENTYCQ-UHFFFAOYSA-N 1 0 242.363 2.384 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H]1CCCS1 ZINC000715832354 712534076 /nfs/dbraw/zinc/53/40/76/712534076.db2.gz KRUXGWZWGICXBJ-WDEREUQCSA-N 1 0 231.405 2.269 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1cn(C)nn1 ZINC000715921435 712542609 /nfs/dbraw/zinc/54/26/09/712542609.db2.gz LHIGZQLOMHSYLX-CYZMBNFOSA-N 1 0 242.326 2.022 10 0 BEAERO Cc1n[nH]c(C[NH2+][C@H](C)c2cncc(F)c2)c1C ZINC000716461665 712562791 /nfs/dbraw/zinc/56/27/91/712562791.db2.gz PFIMCSJUMAVKCU-SNVBAGLBSA-N 1 0 248.305 2.411 10 0 BEAERO CCCC1CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716683220 712570069 /nfs/dbraw/zinc/57/00/69/712570069.db2.gz IHAUAXMKJNKHOJ-UHFFFAOYSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC(C(N)=O)C1 ZINC000716706076 712570164 /nfs/dbraw/zinc/57/01/64/712570164.db2.gz LXCALYLYUZFSMA-IALDZJHCSA-N 1 0 238.375 2.056 10 0 BEAERO NC(=O)C1CC([NH2+]CCCC2CCCCC2)C1 ZINC000716686769 712570432 /nfs/dbraw/zinc/57/04/32/712570432.db2.gz LLQSSDUPUHIJBT-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO CC(C)[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716721873 712570800 /nfs/dbraw/zinc/57/08/00/712570800.db2.gz FLOGYHAOSYHVEH-RUXDESIVSA-N 1 0 246.354 2.237 10 0 BEAERO C[C@@H](CC[NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716721282 712570883 /nfs/dbraw/zinc/57/08/83/712570883.db2.gz AZCJXXLOADGQOQ-XGNXJENSSA-N 1 0 246.354 2.034 10 0 BEAERO CCc1ccc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716723293 712571244 /nfs/dbraw/zinc/57/12/44/712571244.db2.gz OJDKSHXOKJINKT-GWMXKSKGSA-N 1 0 246.354 2.164 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2nccc3cccnc32)C1 ZINC000716889909 712580867 /nfs/dbraw/zinc/58/08/67/712580867.db2.gz CPVGPPCCUNEDNM-ZYHUDNBSSA-N 1 0 242.326 2.169 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CCSC(F)(F)F ZINC000380006092 712669734 /nfs/dbraw/zinc/66/97/34/712669734.db2.gz LCIQDOUVDRWALY-SSDOTTSWSA-N 1 0 245.310 2.236 10 0 BEAERO CCC[C@@](C)([NH3+])C(=O)Nc1ccccc1OC ZINC000037621121 712682052 /nfs/dbraw/zinc/68/20/52/712682052.db2.gz AJMSRIMXAXJKQY-CYBMUJFWSA-N 1 0 236.315 2.151 10 0 BEAERO CO[C@H](C)CC[NH2+]CCc1ccccc1 ZINC000380200853 712717040 /nfs/dbraw/zinc/71/70/40/712717040.db2.gz TXUHCJARFRPOKG-GFCCVEGCSA-N 1 0 207.317 2.244 10 0 BEAERO Cc1coc(C[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000718044366 712737864 /nfs/dbraw/zinc/73/78/64/712737864.db2.gz NQVINKGIDWOAOG-WCQYABFASA-N 1 0 223.316 2.229 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C1CCC=CCC1 ZINC000718068502 712740769 /nfs/dbraw/zinc/74/07/69/712740769.db2.gz SZTCOGDMOCERMO-CQSZACIVSA-N 1 0 241.375 2.252 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)CC1CC([NH3+])C1 ZINC000718077583 712741549 /nfs/dbraw/zinc/74/15/49/712741549.db2.gz CPNLPYWWDLGTCN-HIFPTAJRSA-N 1 0 246.354 2.300 10 0 BEAERO [NH3+]CCCCCC(=O)NCCC1CCCC1 ZINC000037740077 712753151 /nfs/dbraw/zinc/75/31/51/712753151.db2.gz OVNKTGHRIJSIBY-UHFFFAOYSA-N 1 0 226.364 2.202 10 0 BEAERO CC[C@@H](C)NC(=O)CC[NH2+]CCc1ccccc1 ZINC000037997179 712798309 /nfs/dbraw/zinc/79/83/09/712798309.db2.gz AERXNOIVWGRAFT-CYBMUJFWSA-N 1 0 248.370 2.124 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000719216318 712800014 /nfs/dbraw/zinc/80/00/14/712800014.db2.gz WKYUUGKMQDJUAB-HTAVTVPLSA-N 1 0 238.375 2.199 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000719216320 712800271 /nfs/dbraw/zinc/80/02/71/712800271.db2.gz WKYUUGKMQDJUAB-MCIGGMRASA-N 1 0 238.375 2.199 10 0 BEAERO CNC(=O)CCC[NH2+][C@H]1CCCCCC1(C)C ZINC000719248362 712801388 /nfs/dbraw/zinc/80/13/88/712801388.db2.gz AGWCPUIOCJKOHY-LBPRGKRZSA-N 1 0 240.391 2.461 10 0 BEAERO c1ccc2c(c1)CC([NH2+]CC[C@H]1CCCO1)C2 ZINC000038096110 712807953 /nfs/dbraw/zinc/80/79/53/712807953.db2.gz YACARCXQHPXEGA-OAHLLOKOSA-N 1 0 231.339 2.313 10 0 BEAERO [NH3+]C[C@@H]1CCN(C[C@H]2CCCO2)c2ccccc21 ZINC000719530048 712808745 /nfs/dbraw/zinc/80/87/45/712808745.db2.gz HRFMZOPBNLJAPU-QWHCGFSZSA-N 1 0 246.354 2.118 10 0 BEAERO CC(C)c1nccnc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719780528 712824454 /nfs/dbraw/zinc/82/44/54/712824454.db2.gz GVWWHDQUAIYMII-WDEREUQCSA-N 1 0 234.347 2.105 10 0 BEAERO Cc1conc1CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000720365521 712835947 /nfs/dbraw/zinc/83/59/47/712835947.db2.gz CCDSJSXBHQSCNH-CHWSQXEVSA-N 1 0 249.358 2.042 10 0 BEAERO Cc1conc1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000720365529 712836262 /nfs/dbraw/zinc/83/62/62/712836262.db2.gz CCDSJSXBHQSCNH-QWHCGFSZSA-N 1 0 249.358 2.042 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)c1cn(C)nn1 ZINC000720607905 712858277 /nfs/dbraw/zinc/85/82/77/712858277.db2.gz WZQZPTNRQPYLMS-NNYUYHANSA-N 1 0 234.347 2.044 10 0 BEAERO C[NH2+]CCN(c1nccc2occc21)C(C)C ZINC000720777417 712865566 /nfs/dbraw/zinc/86/55/66/712865566.db2.gz NWFCLPVVFQHXOU-UHFFFAOYSA-N 1 0 233.315 2.262 10 0 BEAERO C[NH2+]CCN(c1ncccc1Cl)C(C)C ZINC000720824196 712867610 /nfs/dbraw/zinc/86/76/10/712867610.db2.gz DQTUVNCKTXCDRM-UHFFFAOYSA-N 1 0 227.739 2.169 10 0 BEAERO C[NH2+]CCN(c1ccnc2ncccc21)C(C)C ZINC000720822604 712867884 /nfs/dbraw/zinc/86/78/84/712867884.db2.gz HERHUIYAAWAYHV-UHFFFAOYSA-N 1 0 244.342 2.064 10 0 BEAERO CC(C)(C[NH3+])Cc1nc([C@@H]2CC2(C)C)no1 ZINC000720850411 712870920 /nfs/dbraw/zinc/87/09/20/712870920.db2.gz JXXZBPQIZHDHNE-QMMMGPOBSA-N 1 0 223.320 2.111 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1nc2ccccc2o1 ZINC000721027698 712887258 /nfs/dbraw/zinc/88/72/58/712887258.db2.gz LNSFWGJZWSPWMG-GHMZBOCLSA-N 1 0 245.326 2.485 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)C1 ZINC000721168416 712894296 /nfs/dbraw/zinc/89/42/96/712894296.db2.gz ORBMWYZKFVHUSR-FQUUOJAGSA-N 1 0 241.375 2.085 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000039240224 1165807465 /nfs/dbraw/zinc/80/74/65/1165807465.db2.gz SQQLWOSMRASHRV-VXGBXAGGSA-N 1 0 218.300 2.143 10 0 BEAERO CSCC[NH2+]CCCC(F)(F)F ZINC000123610737 1166900979 /nfs/dbraw/zinc/90/09/79/1166900979.db2.gz CZIPXOGBYQLVCV-UHFFFAOYSA-N 1 0 201.257 2.282 10 0 BEAERO CCc1nc(CC[NH2+]CC(C)C)cs1 ZINC000119622395 1167519672 /nfs/dbraw/zinc/51/96/72/1167519672.db2.gz UPIOIIJFCQEUTL-UHFFFAOYSA-N 1 0 212.362 2.494 10 0 BEAERO CN1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000044562796 1169096748 /nfs/dbraw/zinc/09/67/48/1169096748.db2.gz JASSARQYZPKLIF-LBPRGKRZSA-N 1 0 212.381 2.497 10 0 BEAERO CC1(C)C[C@@H](Nc2cc[nH+]cc2)CCO1 ZINC000215392898 971373005 /nfs/dbraw/zinc/37/30/05/971373005.db2.gz FLJSJTMZWVLOON-NSHDSACASA-N 1 0 206.289 2.451 10 0 BEAERO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N)nc1 ZINC000136532426 960768483 /nfs/dbraw/zinc/76/84/83/960768483.db2.gz BHNONYHOYHZMGJ-JQWIXIFHSA-N 1 0 219.332 2.427 10 0 BEAERO CC(=O)NCCCCC[NH+]1CCCCCC1 ZINC000041531488 985206304 /nfs/dbraw/zinc/20/63/04/985206304.db2.gz SJALVPVBVGCFFM-UHFFFAOYSA-N 1 0 226.364 2.169 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000037490809 1170950343 /nfs/dbraw/zinc/95/03/43/1170950343.db2.gz MXCLQICAAUGFCQ-KBPBESRZSA-N 1 0 237.318 2.261 10 0 BEAERO Cc1nc(CNC[C@@H]2CCCC[N@H+]2C)cs1 ZINC000044561361 1171391234 /nfs/dbraw/zinc/39/12/34/1171391234.db2.gz IRAIUQHLDJMFEU-LBPRGKRZSA-N 1 0 239.388 2.025 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000049948613 1171754332 /nfs/dbraw/zinc/75/43/32/1171754332.db2.gz JDQXISSIVABTBI-QWRGUYRKSA-N 1 0 226.345 2.109 10 0 BEAERO Fc1ccc(CC[NH2+]CC2CCOCC2)cc1 ZINC000052171739 1171946474 /nfs/dbraw/zinc/94/64/74/1171946474.db2.gz ZHETUQOIVCBMII-UHFFFAOYSA-N 1 0 237.318 2.384 10 0 BEAERO CC[N@@H+]1CCC(=O)[C@]12C[C@@H](C)CC[C@@H]2C ZINC000685955092 538900225 /nfs/dbraw/zinc/90/02/25/538900225.db2.gz SUYQGVMPHXQSPK-GMXVVIOVSA-N 1 0 209.333 2.476 10 0 BEAERO CC[C@@H]1C[C@@H]([NH3+])[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000685959744 538907119 /nfs/dbraw/zinc/90/71/19/538907119.db2.gz RRVPVOJYUPYWKS-BREBYQMCSA-N 1 0 227.348 2.482 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C)CC(C)(C)C[C@@H]1[NH3+] ZINC000685959878 538907236 /nfs/dbraw/zinc/90/72/36/538907236.db2.gz UHDCGCOBGZKWOA-TVQRCGJNSA-N 1 0 227.348 2.482 10 0 BEAERO CC(C)OCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960671 538907625 /nfs/dbraw/zinc/90/76/25/538907625.db2.gz XXHXTEGLFYUUDO-UHFFFAOYSA-N 1 0 235.327 2.160 10 0 BEAERO COCC[C@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960570 538907891 /nfs/dbraw/zinc/90/78/91/538907891.db2.gz SBRDFQUDOKBZTK-ZDUSSCGKSA-N 1 0 249.354 2.408 10 0 BEAERO CCCC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685961364 538908643 /nfs/dbraw/zinc/90/86/43/538908643.db2.gz HDHRTZUEDDHLJU-RISCZKNCSA-N 1 0 235.327 2.288 10 0 BEAERO C[C@H](COCc1ccccc1)CC(=O)[C@@H](C)C[NH3+] ZINC000685962545 538909882 /nfs/dbraw/zinc/90/98/82/538909882.db2.gz MIMSHRPLTTWTKA-STQMWFEESA-N 1 0 249.354 2.393 10 0 BEAERO OC[C@H](CC[NH2+]C1CCCCC1)C1CC1 ZINC000685963940 538910815 /nfs/dbraw/zinc/91/08/15/538910815.db2.gz ZYEAOPKNYHAWJS-LBPRGKRZSA-N 1 0 211.349 2.317 10 0 BEAERO Cc1ccc(C)c(Cn2cnc(N)c2)c1 ZINC000685964159 538911003 /nfs/dbraw/zinc/91/10/03/538911003.db2.gz CRYWHXWQXSYXCT-UHFFFAOYSA-N 1 0 201.273 2.130 10 0 BEAERO Nc1cn(CCCc2ccccc2)cn1 ZINC000685964172 538911205 /nfs/dbraw/zinc/91/12/05/538911205.db2.gz FJBCHGIYEJZDKH-UHFFFAOYSA-N 1 0 201.273 2.098 10 0 BEAERO C=C(OCC)c1ccc(OC)c(C[NH2+]C)c1 ZINC000685965170 538911594 /nfs/dbraw/zinc/91/15/94/538911594.db2.gz RTXFFLPRRNJHCZ-UHFFFAOYSA-N 1 0 221.300 2.422 10 0 BEAERO C=C(OCC)c1ccc(OC)cc1C[NH2+]C ZINC000685965276 538911609 /nfs/dbraw/zinc/91/16/09/538911609.db2.gz XFEKOCOXPQDZTP-UHFFFAOYSA-N 1 0 221.300 2.422 10 0 BEAERO C=C(OCC)c1cncc([C@H](C)[NH2+]C)c1 ZINC000685965188 538911615 /nfs/dbraw/zinc/91/16/15/538911615.db2.gz SHCXPBDBWWOVPG-VIFPVBQESA-N 1 0 206.289 2.369 10 0 BEAERO CCCc1cccc([C@@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965611 538912190 /nfs/dbraw/zinc/91/21/90/538912190.db2.gz LDPYQMUJUQIXJD-UONOGXRCSA-N 1 0 218.344 2.043 10 0 BEAERO C[C@H]1C[C@H]2CC[C@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000685965648 538912613 /nfs/dbraw/zinc/91/26/13/538912613.db2.gz MWGXDHITUGAYCN-LOWDOPEQSA-N 1 0 221.344 2.476 10 0 BEAERO Cc1cc2ccccc2nc1N1CC[C@H]([NH3+])[C@H]1C ZINC000385212763 398140535 /nfs/dbraw/zinc/14/05/35/398140535.db2.gz KIWBLVIJPBEWQD-YPMHNXCESA-N 1 0 241.338 2.469 10 0 BEAERO Cc1cc(C)nc(OCCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095068901 177946899 /nfs/dbraw/zinc/94/68/99/177946899.db2.gz IWMMQTYEMJCQMI-ZDUSSCGKSA-N 1 0 249.358 2.252 10 0 BEAERO CCC(CC)(CN)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615440 168323388 /nfs/dbraw/zinc/32/33/88/168323388.db2.gz IXXQCYFWBRLAAB-LBPRGKRZSA-N 1 0 242.407 2.251 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccnc(N)c1 ZINC000616588191 349487272 /nfs/dbraw/zinc/48/72/72/349487272.db2.gz PEBXOPYOIPCYEA-HNNXBMFYSA-N 1 0 239.322 2.071 10 0 BEAERO C[C@@H]1C[C@@H](C(N)=[NH2+])[C@H](C)N1c1ccccc1 ZINC000299803551 398144865 /nfs/dbraw/zinc/14/48/65/398144865.db2.gz XPJKPTUBPLKSAC-JFGNBEQYSA-N 1 0 217.316 2.226 10 0 BEAERO CCC(CC)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123945914 168333441 /nfs/dbraw/zinc/33/34/41/168333441.db2.gz ZURSWHXKURYECB-YPMHNXCESA-N 1 0 240.391 2.364 10 0 BEAERO CN(Cc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000062911174 187323260 /nfs/dbraw/zinc/32/32/60/187323260.db2.gz IKAFWKFDWVTRJE-GFCCVEGCSA-N 1 0 224.373 2.180 10 0 BEAERO CC(C)(O)C(C)(C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000229159063 187324279 /nfs/dbraw/zinc/32/42/79/187324279.db2.gz CRAHGQWZASIDEB-LBPRGKRZSA-N 1 0 233.355 2.465 10 0 BEAERO Cc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1N ZINC000020071818 178006220 /nfs/dbraw/zinc/00/62/20/178006220.db2.gz CCZRSFOJHBJTGY-VXGBXAGGSA-N 1 0 234.343 2.186 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCCO2)cc(C)c1O ZINC000020305120 178025109 /nfs/dbraw/zinc/02/51/09/178025109.db2.gz FPSFENJVDQVBPE-CYBMUJFWSA-N 1 0 235.327 2.278 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2C)cc(C)c1O ZINC000149380610 178035024 /nfs/dbraw/zinc/03/50/24/178035024.db2.gz UYJVEEFZIGVAKZ-WCQYABFASA-N 1 0 235.327 2.276 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCO[C@H]2C)cc(C)c1O ZINC000149380802 178040082 /nfs/dbraw/zinc/04/00/82/178040082.db2.gz UYJVEEFZIGVAKZ-AAEUAGOBSA-N 1 0 235.327 2.276 10 0 BEAERO C[C@H](c1ccsc1)N1CC[C@@H]([NH3+])[C@H]1C ZINC000307570165 398175917 /nfs/dbraw/zinc/17/59/17/398175917.db2.gz YYQGSGGXIDHRDJ-FXPVBKGRSA-N 1 0 210.346 2.231 10 0 BEAERO Cc1cc(Cn2cnc3ccccc32)oc1C[NH3+] ZINC000052576380 178074535 /nfs/dbraw/zinc/07/45/35/178074535.db2.gz CCBVTLQJRLLOKX-UHFFFAOYSA-N 1 0 241.294 2.445 10 0 BEAERO Cc1cc(C[C@H](C)[NH3+])nc(-c2ccsc2)n1 ZINC000054835504 178056285 /nfs/dbraw/zinc/05/62/85/178056285.db2.gz BZEDRMDUOZPQGB-QMMMGPOBSA-N 1 0 233.340 2.403 10 0 BEAERO Cc1cc(Cl)cc2ccc(C(N)=[NH2+])nc12 ZINC000067173642 178064985 /nfs/dbraw/zinc/06/49/85/178064985.db2.gz SFIOGZYQLIGVRA-UHFFFAOYSA-N 1 0 219.675 2.481 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000301012734 349515991 /nfs/dbraw/zinc/51/59/91/349515991.db2.gz XYLNBSYGJPXAQM-HBNTYKKESA-N 1 0 233.302 2.315 10 0 BEAERO Cc1cc(Cl)ccc1N(C)[C@@H](C)C[NH3+] ZINC000020260797 178067750 /nfs/dbraw/zinc/06/77/50/178067750.db2.gz FENFDZHJERQOQA-VIFPVBQESA-N 1 0 212.724 2.432 10 0 BEAERO Cc1cc(Cl)ccc1N1CC[C@@H](C[NH3+])C1 ZINC000011891620 178068026 /nfs/dbraw/zinc/06/80/26/178068026.db2.gz AMOAKFBXFDPCLE-JTQLQIEISA-N 1 0 224.735 2.433 10 0 BEAERO Cc1cc(Cl)nc(SC[C@@H]2CCC[NH2+]2)n1 ZINC000095069425 178071574 /nfs/dbraw/zinc/07/15/74/178071574.db2.gz NYJOCGRLIZTACD-QMMMGPOBSA-N 1 0 243.763 2.283 10 0 BEAERO Cc1cc(Cl)nc(N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000095068927 178071753 /nfs/dbraw/zinc/07/17/53/178071753.db2.gz VAYSACOMRISDFR-IUCAKERBSA-N 1 0 240.738 2.120 10 0 BEAERO Cc1cc(Cn2c(N)[nH+]c3ccc(F)cc32)on1 ZINC000052123159 178072989 /nfs/dbraw/zinc/07/29/89/178072989.db2.gz FBRRHGPUCOKLAN-UHFFFAOYSA-N 1 0 246.245 2.102 10 0 BEAERO C[NH2+][C@H]1CCC[C@H](Cc2cncs2)C1 ZINC000159790632 398193071 /nfs/dbraw/zinc/19/30/71/398193071.db2.gz IPTGPRMGEUVYQT-UWVGGRQHSA-N 1 0 210.346 2.464 10 0 BEAERO Cc1cc(N)c(Br)cc1C[C@@H](C)[NH3+] ZINC000026376474 178101860 /nfs/dbraw/zinc/10/18/60/178101860.db2.gz GVNKSIYABWPHHJ-SSDOTTSWSA-N 1 0 243.148 2.229 10 0 BEAERO CC(C)([NH3+])CN1CCC[C@H]2CCCC[C@H]21 ZINC000226117214 192027412 /nfs/dbraw/zinc/02/74/12/192027412.db2.gz RGGWRPRZSIDGSI-VXGBXAGGSA-N 1 0 210.365 2.378 10 0 BEAERO Cc1cc(N)ccc1OC1CC[NH+](C)CC1 ZINC000041018572 178107505 /nfs/dbraw/zinc/10/75/05/178107505.db2.gz HERMVKNMYUVLMN-UHFFFAOYSA-N 1 0 220.316 2.050 10 0 BEAERO Cc1cc(N)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564607 178107658 /nfs/dbraw/zinc/10/76/58/178107658.db2.gz IVLWJMHMYRMZFS-UONOGXRCSA-N 1 0 231.343 2.226 10 0 BEAERO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1F ZINC000061118409 178117179 /nfs/dbraw/zinc/11/71/79/178117179.db2.gz UJDOBHYVIXWIRC-ZWNOBZJWSA-N 1 0 222.307 2.308 10 0 BEAERO Cc1nccn1CC[NH2+]C[C@H](C)C(C)(C)C ZINC000162877050 538925177 /nfs/dbraw/zinc/92/51/77/538925177.db2.gz QPMWMLKDTUZUDC-NSHDSACASA-N 1 0 223.364 2.463 10 0 BEAERO Cc1cnccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000296230557 398208632 /nfs/dbraw/zinc/20/86/32/398208632.db2.gz CGSSCYTUIQKHDR-DGCLKSJQSA-N 1 0 220.316 2.047 10 0 BEAERO C[C@H](N[C@@H]1CCS[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000386621812 398214057 /nfs/dbraw/zinc/21/40/57/398214057.db2.gz YIDNHYPUVUPKCB-WHOHXGKFSA-N 1 0 228.405 2.001 10 0 BEAERO Cc1cc(N[C@H]2CC[N@@H+](C)C2)ccc1F ZINC000061989929 178190300 /nfs/dbraw/zinc/19/03/00/178190300.db2.gz OBISSRNMBQKOJO-NSHDSACASA-N 1 0 208.280 2.250 10 0 BEAERO C[C@H]1CSc2ccccc2N1CCC[NH3+] ZINC000213801990 349521454 /nfs/dbraw/zinc/52/14/54/349521454.db2.gz GAWVKLPYLZGECA-JTQLQIEISA-N 1 0 222.357 2.336 10 0 BEAERO Cc1cc(Oc2ccccc2C[C@H](C)[NH3+])ncn1 ZINC000011849410 178216142 /nfs/dbraw/zinc/21/61/42/178216142.db2.gz PDKVLIUALFRJRQ-JTQLQIEISA-N 1 0 243.310 2.467 10 0 BEAERO Cc1cc(S[C@H](C[NH3+])C(C)(C)C)n(C)n1 ZINC000052309187 178219314 /nfs/dbraw/zinc/21/93/14/178219314.db2.gz GFWZKBUAAIOUHO-SECBINFHSA-N 1 0 227.377 2.194 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@@H]2CCCCO2)c(C)o1 ZINC000050963127 178237954 /nfs/dbraw/zinc/23/79/54/178237954.db2.gz DCHSYWPCUSJMDY-NWDGAFQWSA-N 1 0 209.289 2.465 10 0 BEAERO Cc1cc([C@@H](O)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000032014482 178239478 /nfs/dbraw/zinc/23/94/78/178239478.db2.gz VZZBNJDSFIYKOO-DGCLKSJQSA-N 1 0 223.291 2.167 10 0 BEAERO Cc1cc([C@@H]2C[C@@H]([NH3+])CCO2)ccc1F ZINC000069851113 178243302 /nfs/dbraw/zinc/24/33/02/178243302.db2.gz UAXHVPSUMCBJSS-JQWIXIFHSA-N 1 0 209.264 2.313 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)no1 ZINC000336729013 178247894 /nfs/dbraw/zinc/24/78/94/178247894.db2.gz CWYAZLOSGFIYCG-GXSJLCMTSA-N 1 0 226.320 2.041 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCCOC2)c(C)o1 ZINC000062234644 178262313 /nfs/dbraw/zinc/26/23/13/178262313.db2.gz YNJPKKRKJPTXCX-ZYHUDNBSSA-N 1 0 209.289 2.323 10 0 BEAERO Cc1cc([C@H](O)C(C)(C)C[NH3+])c(C)s1 ZINC000082642421 178264108 /nfs/dbraw/zinc/26/41/08/178264108.db2.gz RVXBJLFVOMLSTN-JTQLQIEISA-N 1 0 213.346 2.383 10 0 BEAERO Cc1cc([C@H](O)C2CC[NH2+]CC2)c(C)s1 ZINC000036906401 178264637 /nfs/dbraw/zinc/26/46/37/178264637.db2.gz BCQXRFXDHKUJGL-GFCCVEGCSA-N 1 0 225.357 2.398 10 0 BEAERO Cc1cc([C@]23C[C@H]2C[N@@H+](C)C3)ccc1F ZINC000034894432 178270563 /nfs/dbraw/zinc/27/05/63/178270563.db2.gz ZJDFOPYAGRPFLM-WCQYABFASA-N 1 0 205.276 2.337 10 0 BEAERO Cc1cc2c(ncnc2NC2CC[NH2+]CC2)s1 ZINC000020323114 178279846 /nfs/dbraw/zinc/27/98/46/178279846.db2.gz SDYPNCARJORIGK-UHFFFAOYSA-N 1 0 248.355 2.164 10 0 BEAERO Cc1cc2c(cc1C)C[C@@]1(C[NH+]=CN1)CC2 ZINC000013743762 178284909 /nfs/dbraw/zinc/28/49/09/178284909.db2.gz QPBUMMRVGCIHPL-CQSZACIVSA-N 1 0 214.312 2.162 10 0 BEAERO CCC(CC)C[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502109 168363891 /nfs/dbraw/zinc/36/38/91/168363891.db2.gz GUNINPOETZARDY-CYBMUJFWSA-N 1 0 212.381 2.497 10 0 BEAERO Cc1cc2ncn(C[C@@H](C)C[NH3+])c2cc1C ZINC000036986871 178305852 /nfs/dbraw/zinc/30/58/52/178305852.db2.gz AKGNERBZULYMIR-VIFPVBQESA-N 1 0 217.316 2.248 10 0 BEAERO Cc1cc2nc(C[NH2+]C3CC3)[nH]c2cc1C ZINC000022863891 178302718 /nfs/dbraw/zinc/30/27/18/178302718.db2.gz JKQPPVBCMQPZTG-UHFFFAOYSA-N 1 0 215.300 2.432 10 0 BEAERO Cc1cc2c(n1C[C@H]1CCOC1)CCC[C@H]2[NH3+] ZINC000061148228 178293132 /nfs/dbraw/zinc/29/31/32/178293132.db2.gz RBFFWSXXLUZBHJ-DGCLKSJQSA-N 1 0 234.343 2.169 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000036789259 168367742 /nfs/dbraw/zinc/36/77/42/168367742.db2.gz VHDXQQNRPNHNTM-CYBMUJFWSA-N 1 0 234.343 2.333 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000051792902 168367534 /nfs/dbraw/zinc/36/75/34/168367534.db2.gz GRMRDQFSERYKAU-PWSUYJOCSA-N 1 0 226.364 2.022 10 0 BEAERO Cc1ccc(-c2nc(C[NH3+])co2)c(C)c1 ZINC000082639121 178334050 /nfs/dbraw/zinc/33/40/50/178334050.db2.gz OGIKSDOIHOBADR-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])no2)cc1 ZINC000041052259 178335944 /nfs/dbraw/zinc/33/59/44/178335944.db2.gz RQBLVARXIFPGKQ-MRVPVSSYSA-N 1 0 203.245 2.065 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)C[NH3+])no2)cc1 ZINC000054158748 178336750 /nfs/dbraw/zinc/33/67/50/178336750.db2.gz IVIUHLGJKGYYMC-SECBINFHSA-N 1 0 217.272 2.107 10 0 BEAERO CCSCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245430837 323006284 /nfs/dbraw/zinc/00/62/84/323006284.db2.gz NTDYPXFNVFJKAA-OLZOCXBDSA-N 1 0 242.432 2.298 10 0 BEAERO Cc1ccc(-c2oncc2C[NH3+])c(C)c1 ZINC000071508401 178344589 /nfs/dbraw/zinc/34/45/89/178344589.db2.gz GUHRWLPZWSATLY-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO Cc1ccc(-n2cc(CCC[NH3+])cn2)cc1 ZINC000054670329 178345979 /nfs/dbraw/zinc/34/59/79/178345979.db2.gz WZZDEJYAYOXCHO-UHFFFAOYSA-N 1 0 215.300 2.072 10 0 BEAERO Cc1ccc(-c2c[nH]c(C[C@@H](C)[NH3+])n2)cc1 ZINC000037476853 178329280 /nfs/dbraw/zinc/32/92/80/178329280.db2.gz ATXIBOZAMPGBEA-SNVBAGLBSA-N 1 0 215.300 2.275 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000378731043 346819660 /nfs/dbraw/zinc/81/96/60/346819660.db2.gz KYFMGGLIJGEMNS-REWJHTLYSA-N 1 0 223.360 2.482 10 0 BEAERO CCC(CC)N(CC[NH3+])C(=O)c1ccc(C)o1 ZINC000104306700 168371646 /nfs/dbraw/zinc/37/16/46/168371646.db2.gz KQINOAPBWVEEAM-UHFFFAOYSA-N 1 0 238.331 2.178 10 0 BEAERO CC(C)(C)OC(=O)N[C@H](CC[NH3+])C(C)(C)C ZINC000231204019 538952077 /nfs/dbraw/zinc/95/20/77/538952077.db2.gz MDVBLLYBFRDLTK-SECBINFHSA-N 1 0 230.352 2.275 10 0 BEAERO Cc1ccc(C(N)=[NH2+])c(N2CCCC2(C)C)n1 ZINC000063067400 178369285 /nfs/dbraw/zinc/36/92/85/178369285.db2.gz QYBYSSJHDJDUOM-UHFFFAOYSA-N 1 0 232.331 2.053 10 0 BEAERO C[N@H+](CCc1ccncc1)C[C@@H]1CCC[C@H](O)C1 ZINC000386559538 398265114 /nfs/dbraw/zinc/26/51/14/398265114.db2.gz VFMSSSNZJDYWCH-CABCVRRESA-N 1 0 248.370 2.107 10 0 BEAERO C[C@@H]1C[C@H](C(=O)NCC[NH+](C)C)CC(C)(C)C1 ZINC000162145411 349575925 /nfs/dbraw/zinc/57/59/25/349575925.db2.gz YLOIIPFEJBNPJU-NEPJUHHUSA-N 1 0 240.391 2.127 10 0 BEAERO C[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)CC(C)(C)C1 ZINC000162145609 349576020 /nfs/dbraw/zinc/57/60/20/349576020.db2.gz YLOIIPFEJBNPJU-VXGBXAGGSA-N 1 0 240.391 2.127 10 0 BEAERO CN(C[C@@H]1CCCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000381689955 398269658 /nfs/dbraw/zinc/26/96/58/398269658.db2.gz NIWPMTUNWILPLW-QWRGUYRKSA-N 1 0 232.318 2.106 10 0 BEAERO CCC(CC)N(CCOC)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062948916 168376094 /nfs/dbraw/zinc/37/60/94/168376094.db2.gz MNDFKVJTEZDPIB-GXTWGEPZSA-N 1 0 242.407 2.264 10 0 BEAERO C[N@@H+](Cc1ccco1)C[C@@H]1CCC[C@H](O)C1 ZINC000381653096 398268615 /nfs/dbraw/zinc/26/86/15/398268615.db2.gz SFCBXZMEKRXBPC-NEPJUHHUSA-N 1 0 223.316 2.263 10 0 BEAERO C[NH2+][C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381769529 398271633 /nfs/dbraw/zinc/27/16/33/398271633.db2.gz YEWGKMSTPHZLEB-WDEREUQCSA-N 1 0 232.318 2.106 10 0 BEAERO COC(=O)c1csc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000602538833 349604576 /nfs/dbraw/zinc/60/45/76/349604576.db2.gz COSBMMKXVXBKII-XVKPBYJWSA-N 1 0 225.313 2.033 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2cccc(CCO)c2)C1 ZINC000616613241 349607398 /nfs/dbraw/zinc/60/73/98/349607398.db2.gz RAVJECMWCTUXHP-CQSZACIVSA-N 1 0 219.328 2.031 10 0 BEAERO COC(=O)C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000001698272 342709984 /nfs/dbraw/zinc/70/99/84/342709984.db2.gz OSVHNYZORQSSKG-CYBMUJFWSA-N 1 0 233.311 2.387 10 0 BEAERO O[C@]12CCCC[C@@H]1[NH2+]CC[C@@H]2Nc1ccccc1 ZINC000144573734 342746449 /nfs/dbraw/zinc/74/64/49/342746449.db2.gz CTKPODCGJILQCO-SOUVJXGZSA-N 1 0 246.354 2.134 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1nc2ccccc2n1C ZINC000320978636 342748311 /nfs/dbraw/zinc/74/83/11/342748311.db2.gz XJSVNWWTSHDEPH-VHSXEESVSA-N 1 0 232.331 2.111 10 0 BEAERO Clc1cc2cccnc2c(N2CC[NH2+]CC2)c1 ZINC000144715056 342749615 /nfs/dbraw/zinc/74/96/15/342749615.db2.gz KEEOGAAOXGCHNB-UHFFFAOYSA-N 1 0 247.729 2.298 10 0 BEAERO C[N@@H+]1CC[C@H]2CCc3c(O)cccc3[C@H]21 ZINC000138045477 342749736 /nfs/dbraw/zinc/74/97/36/342749736.db2.gz UCDLVZMZMKVSRJ-RNCFNFMXSA-N 1 0 203.285 2.331 10 0 BEAERO CCOc1cc([C@H]2C[C@@H](C)C[NH2+]2)ccc1O ZINC000003705292 342737006 /nfs/dbraw/zinc/73/70/06/342737006.db2.gz JJSWTYULFULIFV-MWLCHTKSSA-N 1 0 221.300 2.461 10 0 BEAERO [NH3+][C@@H]1COc2c1cc(Cl)cc2Br ZINC000035655136 342754184 /nfs/dbraw/zinc/75/41/84/342754184.db2.gz XCQGMCQQUZKXNJ-SSDOTTSWSA-N 1 0 248.507 2.495 10 0 BEAERO [NH3+][C@@H]1CCSc2c(F)ccc(F)c21 ZINC000035676378 342754399 /nfs/dbraw/zinc/75/43/99/342754399.db2.gz FKRPWMYLHPHUTB-SSDOTTSWSA-N 1 0 201.241 2.460 10 0 BEAERO COc1ccc2c(c1OC)CC[C@@H]([NH+](C)C)C2 ZINC000005689243 342768441 /nfs/dbraw/zinc/76/84/41/342768441.db2.gz RQWDWCITECNVBB-LLVKDONJSA-N 1 0 235.327 2.123 10 0 BEAERO c1ccc2sc([C@@]34C[C@@H]3C[NH2+]C4)nc2c1 ZINC000147312254 342774209 /nfs/dbraw/zinc/77/42/09/342774209.db2.gz IMAUFDNEOGMGSB-PRHODGIISA-N 1 0 216.309 2.157 10 0 BEAERO CCC(CC)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020037369 168389787 /nfs/dbraw/zinc/38/97/87/168389787.db2.gz SYUOIKDMLHEHGV-UHFFFAOYSA-N 1 0 238.306 2.203 10 0 BEAERO CC1(C)C[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000148371718 342790882 /nfs/dbraw/zinc/79/08/82/342790882.db2.gz PQOBJUIKMNOJMP-CYBMUJFWSA-N 1 0 219.328 2.422 10 0 BEAERO Cc1ccc2cc([C@@]34C[C@@H]3C[NH2+]C4)ccc2n1 ZINC000149707825 342794047 /nfs/dbraw/zinc/79/40/47/342794047.db2.gz FZKWOHSFKFNHOS-HIFRSBDPSA-N 1 0 224.307 2.404 10 0 BEAERO C[C@@H]([NH2+]CCC(N)=O)c1ccc(F)c(Cl)c1 ZINC000036746888 398287605 /nfs/dbraw/zinc/28/76/05/398287605.db2.gz VIKGHOLKXOSXEU-SSDOTTSWSA-N 1 0 244.697 2.005 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000040671989 538973004 /nfs/dbraw/zinc/97/30/04/538973004.db2.gz UGZQQQIZBXQTIT-GXTWGEPZSA-N 1 0 248.370 2.440 10 0 BEAERO Oc1cccc(S[C@H]2CCC[NH2+]C2)c1 ZINC000127056546 342819648 /nfs/dbraw/zinc/81/96/48/342819648.db2.gz KHRFNEVNGSADFF-NSHDSACASA-N 1 0 209.314 2.236 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000378798938 538973998 /nfs/dbraw/zinc/97/39/98/538973998.db2.gz SCGAWAVYBCHGSI-RVMXOQNASA-N 1 0 229.339 2.408 10 0 BEAERO Cc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)o1 ZINC000035717742 342807311 /nfs/dbraw/zinc/80/73/11/342807311.db2.gz DTDPRJCMUXYBAB-SNVBAGLBSA-N 1 0 211.305 2.179 10 0 BEAERO Cc1cccc([C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000044119489 538986848 /nfs/dbraw/zinc/98/68/48/538986848.db2.gz AJFXBXFBBLGODA-ZDUSSCGKSA-N 1 0 207.317 2.369 10 0 BEAERO CCCC[C@H](C)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000380211917 538987571 /nfs/dbraw/zinc/98/75/71/538987571.db2.gz ZJUGKILWNOMTLP-AGIUHOORSA-N 1 0 212.381 2.495 10 0 BEAERO C[N@H+](C[C@@H]1Cc2ccccc21)CC(C)(C)O ZINC000086274425 398291505 /nfs/dbraw/zinc/29/15/05/398291505.db2.gz ADPWPWCIHVVAPX-LBPRGKRZSA-N 1 0 219.328 2.029 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000380010967 538983599 /nfs/dbraw/zinc/98/35/99/538983599.db2.gz RNXLISUALQCPFM-RNJOBUHISA-N 1 0 210.365 2.105 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CO)ccc1F ZINC000381444095 539000730 /nfs/dbraw/zinc/00/07/30/539000730.db2.gz FIBZLONADTWOGW-KOLCDFICSA-N 1 0 225.307 2.413 10 0 BEAERO c1csc(C[NH2+]C[C@@H]2CC23CCOCC3)n1 ZINC000381464392 539001164 /nfs/dbraw/zinc/00/11/64/539001164.db2.gz KTDZBDDKHCEQON-JTQLQIEISA-N 1 0 238.356 2.049 10 0 BEAERO CCN1C[C@H]([NH2+][C@H](C)c2ccoc2)[C@@H](C)C1 ZINC000381778255 539007015 /nfs/dbraw/zinc/00/70/15/539007015.db2.gz XKLAYXKOVBBCQH-LOWVWBTDSA-N 1 0 222.332 2.270 10 0 BEAERO CCC(CC)[C@@H](CN)[NH+]1CCC(C)CC1 ZINC000022209674 168399303 /nfs/dbraw/zinc/39/93/03/168399303.db2.gz JBDGVDURNYGMIW-CYBMUJFWSA-N 1 0 212.381 2.482 10 0 BEAERO CCOC(=O)N1CC[C@@H]([NH2+]C)c2ccccc21 ZINC000071324720 361980798 /nfs/dbraw/zinc/98/07/98/361980798.db2.gz NBYVONWXUNAIRN-LLVKDONJSA-N 1 0 234.299 2.314 10 0 BEAERO C[C@H]1C[C@]2(CS1)[NH2+]C[C@@H](C)CS2 ZINC000226587298 342842672 /nfs/dbraw/zinc/84/26/72/342842672.db2.gz YFMNBZORCATZLI-VGMNWLOBSA-N 1 0 203.376 2.181 10 0 BEAERO CCC(CC)[C@@H](C)NC(=O)C1(C[NH3+])CCCC1 ZINC000104445662 168399910 /nfs/dbraw/zinc/39/99/10/168399910.db2.gz XOGIVWRTYJZVTK-LLVKDONJSA-N 1 0 240.391 2.446 10 0 BEAERO CCC(CC)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000104444366 168399957 /nfs/dbraw/zinc/39/99/57/168399957.db2.gz DDQQYYKLULVMDE-QFWMXSHPSA-N 1 0 240.391 2.445 10 0 BEAERO [NH3+]C1(CCc2ccsc2)CCOCC1 ZINC000069765761 342839736 /nfs/dbraw/zinc/83/97/36/342839736.db2.gz SMPKFYVJNWYTTC-UHFFFAOYSA-N 1 0 211.330 2.189 10 0 BEAERO C[NH2+]CCSC/C(Cl)=C\Cl ZINC000382647462 361969753 /nfs/dbraw/zinc/96/97/53/361969753.db2.gz OIPMWVCBSGYOLT-GQCTYLIASA-N 1 0 200.134 2.258 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000389985029 539019601 /nfs/dbraw/zinc/01/96/01/539019601.db2.gz LPCSMYXBYGRYTN-JQWIXIFHSA-N 1 0 209.333 2.212 10 0 BEAERO Cc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1Br ZINC000164894076 342853852 /nfs/dbraw/zinc/85/38/52/342853852.db2.gz UCGWIPMXQRUODB-XCBNKYQSSA-N 1 0 244.132 2.138 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@@]1(O)c1sccc1Cl ZINC000229926161 342855581 /nfs/dbraw/zinc/85/55/81/342855581.db2.gz CTERIHYIPGOSFC-XCBNKYQSSA-N 1 0 231.748 2.219 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000134534113 342863021 /nfs/dbraw/zinc/86/30/21/342863021.db2.gz RZRDDCIVXKCNKJ-IONNQARKSA-N 1 0 215.680 2.200 10 0 BEAERO C[C@H]([NH3+])c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000406501122 342870537 /nfs/dbraw/zinc/87/05/37/342870537.db2.gz QLDAAIKCDGYSGR-QMMMGPOBSA-N 1 0 237.303 2.448 10 0 BEAERO C[NH2+][C@H]1CSC[C@@H]1Cc1cccs1 ZINC000134590562 342871366 /nfs/dbraw/zinc/87/13/66/342871366.db2.gz ZTZIMZKMMOZLDE-WPRPVWTQSA-N 1 0 213.371 2.242 10 0 BEAERO C[NH2+][C@@H]1CSCc2cc(F)cc(F)c21 ZINC000165054880 342872409 /nfs/dbraw/zinc/87/24/09/342872409.db2.gz SZNDVJNAHUCPAP-SECBINFHSA-N 1 0 215.268 2.472 10 0 BEAERO Cc1nnc(C[NH2+][C@H]2CC[C@H](C)C2)s1 ZINC000134664065 342875805 /nfs/dbraw/zinc/87/58/05/342875805.db2.gz JDGZDBNDFQASHR-CBAPKCEASA-N 1 0 211.334 2.125 10 0 BEAERO Cc1nnc(C[NH2+][C@@H]2CC[C@H](C)C2)s1 ZINC000134664046 342875996 /nfs/dbraw/zinc/87/59/96/342875996.db2.gz JDGZDBNDFQASHR-IONNQARKSA-N 1 0 211.334 2.125 10 0 BEAERO C[NH2+]Cc1nc2cc(Cl)c(F)cc2o1 ZINC000134472422 342856920 /nfs/dbraw/zinc/85/69/20/342856920.db2.gz FOJMFAJROZDWIM-UHFFFAOYSA-N 1 0 214.627 2.340 10 0 BEAERO [NH3+][C@@H]1CC=C(C(=O)c2sccc2Cl)C1 ZINC000229957677 342860320 /nfs/dbraw/zinc/86/03/20/342860320.db2.gz DLDZFYCTEBOGGC-NKWVEPMBSA-N 1 0 227.716 2.488 10 0 BEAERO CC(C)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000134829890 342894979 /nfs/dbraw/zinc/89/49/79/342894979.db2.gz YBYMDZIMAWTILN-RYUDHWBXSA-N 1 0 209.333 2.476 10 0 BEAERO CCNc1ccc(Br)cc1C(N)=[NH2+] ZINC000165273661 342895467 /nfs/dbraw/zinc/89/54/67/342895467.db2.gz COJBSAZVUWCAHH-UHFFFAOYSA-N 1 0 242.120 2.165 10 0 BEAERO Clc1csc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000165289981 342897044 /nfs/dbraw/zinc/89/70/44/342897044.db2.gz DMUOIDYXCGBWNZ-ZETCQYMHSA-N 1 0 231.752 2.208 10 0 BEAERO CN(C[C@H]1CC[N@H+](C)C1)c1nc(Cl)cs1 ZINC000165187341 342880528 /nfs/dbraw/zinc/88/05/28/342880528.db2.gz JUHQCCXCFQWWMO-QMMMGPOBSA-N 1 0 245.779 2.184 10 0 BEAERO Clc1csc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000165216088 342883632 /nfs/dbraw/zinc/88/36/32/342883632.db2.gz SBANEINHHJBXBI-MRVPVSSYSA-N 1 0 243.763 2.081 10 0 BEAERO Cc1ccsc1[C@@H](CO)[NH2+]CC1CC1 ZINC000041675079 398320983 /nfs/dbraw/zinc/32/09/83/398320983.db2.gz BDOQWYQMRSEFEA-SNVBAGLBSA-N 1 0 211.330 2.090 10 0 BEAERO Cc1cc(C(=O)C[C@H]2CSCC[NH2+]2)cs1 ZINC000226591233 342892700 /nfs/dbraw/zinc/89/27/00/342892700.db2.gz NKWUSCRRNTUCDR-JTQLQIEISA-N 1 0 241.381 2.334 10 0 BEAERO CC(C)N(CCC[NH3+])c1ccc(F)cc1 ZINC000036730757 342910308 /nfs/dbraw/zinc/91/03/08/342910308.db2.gz GQMSSIKIOWRVNN-UHFFFAOYSA-N 1 0 210.296 2.389 10 0 BEAERO Clc1csc(NCC[C@H]2CC[NH2+]C2)n1 ZINC000165305792 342903911 /nfs/dbraw/zinc/90/39/11/342903911.db2.gz BWHSSRGPWZMBRE-SSDOTTSWSA-N 1 0 231.752 2.208 10 0 BEAERO CN1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218127813 398325662 /nfs/dbraw/zinc/32/56/62/398325662.db2.gz YNUFPCZSFAROKF-AWEZNQCLSA-N 1 0 243.354 2.352 10 0 BEAERO COc1c(C[NH2+]CCC2=CCCC2)c(C)nn1C ZINC000120154176 398336955 /nfs/dbraw/zinc/33/69/55/398336955.db2.gz ZSBXKOLETLWFMD-UHFFFAOYSA-N 1 0 249.358 2.327 10 0 BEAERO CC[C@@](F)(C[NH3+])c1cc(F)ccc1F ZINC000158341806 398332260 /nfs/dbraw/zinc/33/22/60/398332260.db2.gz SSFMVWFFQPYKGY-SNVBAGLBSA-N 1 0 203.207 2.498 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000037607856 398332435 /nfs/dbraw/zinc/33/24/35/398332435.db2.gz YHCPRDLZIHXWFE-MNOVXSKESA-N 1 0 234.343 2.164 10 0 BEAERO COc1ccccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988674 398335417 /nfs/dbraw/zinc/33/54/17/398335417.db2.gz XAHWAMOXLUVLSY-ZDUSSCGKSA-N 1 0 235.327 2.354 10 0 BEAERO COc1ccccc1C[NH2+]CC[C@H]1CCCO1 ZINC000037988675 398335506 /nfs/dbraw/zinc/33/55/06/398335506.db2.gz XAHWAMOXLUVLSY-CYBMUJFWSA-N 1 0 235.327 2.354 10 0 BEAERO CCCCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159551342 398342060 /nfs/dbraw/zinc/34/20/60/398342060.db2.gz FWDMXZIJPFIMEF-ZDUSSCGKSA-N 1 0 226.364 2.215 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1c(F)cccc1Cl ZINC000019784028 342957426 /nfs/dbraw/zinc/95/74/26/342957426.db2.gz VUTKSGYZZKIRDU-QMMMGPOBSA-N 1 0 231.654 2.042 10 0 BEAERO [NH3+][C@H]1CCCc2ccc(C(F)(F)F)cc2[C@H]1O ZINC000019795624 342958259 /nfs/dbraw/zinc/95/82/59/342958259.db2.gz VETYAZFXIGHOEL-WDEREUQCSA-N 1 0 245.244 2.402 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000123174271 178475056 /nfs/dbraw/zinc/47/50/56/178475056.db2.gz UYOFXDPWPNPQPT-CHWSQXEVSA-N 1 0 221.344 2.410 10 0 BEAERO C[C@H]([NH3+])c1ccc(-n2ccnc2)c(F)c1 ZINC000019872841 342960455 /nfs/dbraw/zinc/96/04/55/342960455.db2.gz JNCOYGZTURLLHU-QMMMGPOBSA-N 1 0 205.236 2.031 10 0 BEAERO Nc1cccc([C@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000022633121 187207420 /nfs/dbraw/zinc/20/74/20/187207420.db2.gz MVPHBMHDGWYQNG-OAHLLOKOSA-N 1 0 242.322 2.092 10 0 BEAERO Cc1cccc(C)c1NC(=O)CC[C@@H](C)[NH3+] ZINC000027893891 187208428 /nfs/dbraw/zinc/20/84/28/187208428.db2.gz HHAZTDHVUNAVFB-LLVKDONJSA-N 1 0 220.316 2.369 10 0 BEAERO Cc1ccc(C)c(NC(=O)C[C@@H](C)C[NH3+])c1 ZINC000076610212 178480664 /nfs/dbraw/zinc/48/06/64/178480664.db2.gz CJOXDMMNSRPVDT-SNVBAGLBSA-N 1 0 220.316 2.227 10 0 BEAERO C[N@@H+](CC(=O)NC(C)(C)C)CC1CCCC1 ZINC000047707179 343021056 /nfs/dbraw/zinc/02/10/56/343021056.db2.gz AUHYSHGIEZLCQQ-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)Cc1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000120336239 187222039 /nfs/dbraw/zinc/22/20/39/187222039.db2.gz YVKQVVNJTWABJC-UHFFFAOYSA-N 1 0 233.355 2.500 10 0 BEAERO CC(C)[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000119330239 187222804 /nfs/dbraw/zinc/22/28/04/187222804.db2.gz DEQSGTCMXKNVBZ-CHWSQXEVSA-N 1 0 227.348 2.055 10 0 BEAERO CC(C)[N@H+](C[C@H](O)C(F)(F)F)C1CCC1 ZINC000121623719 187223246 /nfs/dbraw/zinc/22/32/46/187223246.db2.gz CUOAWKOTJWZPFC-VIFPVBQESA-N 1 0 225.254 2.173 10 0 BEAERO CCc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000401970593 529643980 /nfs/dbraw/zinc/64/39/80/529643980.db2.gz ZDJVHDCBQAMTRP-WFASDCNBSA-N 1 0 233.355 2.452 10 0 BEAERO Cc1ccc(C(N)=[NH2+])c(SC(C)C)n1 ZINC000043401800 343065179 /nfs/dbraw/zinc/06/51/79/343065179.db2.gz CIIVLNGLGLEAMY-UHFFFAOYSA-N 1 0 209.318 2.175 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](Oc2nc(Cl)cs2)C1 ZINC000165390488 343074065 /nfs/dbraw/zinc/07/40/65/343074065.db2.gz YGIMJWCIRZVUMX-PHDIDXHHSA-N 1 0 218.709 2.055 10 0 BEAERO [NH3+][C@H](CO)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000072198902 343068869 /nfs/dbraw/zinc/06/88/69/343068869.db2.gz REUIRPFEEJVRNN-MRVPVSSYSA-N 1 0 239.624 2.351 10 0 BEAERO N[C@H](C[NH3+])c1cc(C(F)(F)F)ccc1Cl ZINC000072201403 343069675 /nfs/dbraw/zinc/06/96/75/343069675.db2.gz UQZMQFQURJFZJS-MRVPVSSYSA-N 1 0 238.640 2.317 10 0 BEAERO CC[C@@H]1CCN(Cc2nnc(C(C)C)n2C)C1 ZINC000176262232 365701877 /nfs/dbraw/zinc/70/18/77/365701877.db2.gz OLXUCYRSWAFPRA-LLVKDONJSA-N 1 0 236.363 2.170 10 0 BEAERO Cc1ccc(C)c(OCC[C@@H](O)CC[NH3+])c1C ZINC000041279123 178489827 /nfs/dbraw/zinc/48/98/27/178489827.db2.gz YEJMHJUCHKJYQB-ZDUSSCGKSA-N 1 0 237.343 2.090 10 0 BEAERO CC[C@H]1CCN(Cc2nnc(C(C)C)n2C)C1 ZINC000176262247 365702173 /nfs/dbraw/zinc/70/21/73/365702173.db2.gz OLXUCYRSWAFPRA-NSHDSACASA-N 1 0 236.363 2.170 10 0 BEAERO FC(F)(F)c1ccn([C@@H]2CCCC[NH2+]2)n1 ZINC000584880849 343081564 /nfs/dbraw/zinc/08/15/64/343081564.db2.gz JHDBXMGBZRCGMX-MRVPVSSYSA-N 1 0 219.210 2.174 10 0 BEAERO Cc1cc(C[NH3+])oc1C(=O)OC(C)(C)C ZINC000584881336 343082481 /nfs/dbraw/zinc/08/24/81/343082481.db2.gz HLWGWBPJROOOPG-UHFFFAOYSA-N 1 0 211.261 2.002 10 0 BEAERO CCN(CC)c1ccc2[nH+]cc(N)c(NC)c2c1 ZINC000584881930 343083201 /nfs/dbraw/zinc/08/32/01/343083201.db2.gz HPPCTIGNJLCTBA-UHFFFAOYSA-N 1 0 244.342 2.127 10 0 BEAERO Cc1ccc2c(N)c(N)c[nH+]c2c1Cl ZINC000584881837 343083207 /nfs/dbraw/zinc/08/32/07/343083207.db2.gz DEKDJLMQDSNIBH-UHFFFAOYSA-N 1 0 207.664 2.361 10 0 BEAERO CNc1c(N)cnc2c(Cl)cc(C)cc21 ZINC000584882634 343085186 /nfs/dbraw/zinc/08/51/86/343085186.db2.gz MINRAAIUKRVHAD-UHFFFAOYSA-N 1 0 221.691 2.242 10 0 BEAERO Cc1ccc(Cl)c2c(N)c(N)c[nH+]c12 ZINC000584882860 343085415 /nfs/dbraw/zinc/08/54/15/343085415.db2.gz XBVXNUNDELZJFX-UHFFFAOYSA-N 1 0 207.664 2.191 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+][C@H](C(C)(C)C)C1 ZINC000584882962 343085553 /nfs/dbraw/zinc/08/55/53/343085553.db2.gz CBGRHXKJNFCPLV-UWVGGRQHSA-N 1 0 242.363 2.288 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)C[C@](C)(O)C1CCCCC1 ZINC000584883489 343086181 /nfs/dbraw/zinc/08/61/81/343086181.db2.gz PZNIFQWASICYOO-KBPBESRZSA-N 1 0 243.391 2.067 10 0 BEAERO c1c(CN[C@@H]2CC[NH2+]C2)sc2c1CCCC2 ZINC000567642541 323034442 /nfs/dbraw/zinc/03/44/42/323034442.db2.gz SMRQUAWKDSUXEV-LLVKDONJSA-N 1 0 236.384 2.078 10 0 BEAERO COC(=O)[C@@H](c1ccc(C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000013747227 343102685 /nfs/dbraw/zinc/10/26/85/343102685.db2.gz WJZNCJIOIACDBR-KBPBESRZSA-N 1 0 247.338 2.394 10 0 BEAERO C[N@H+]1CC=C(c2c[nH]c3ccc(CO)cc23)CC1 ZINC000013731876 343102805 /nfs/dbraw/zinc/10/28/05/343102805.db2.gz BLPACQACEQEYPL-UHFFFAOYSA-N 1 0 242.322 2.379 10 0 BEAERO [NH3+][C@]12CC=CC[C@H]1CCc1ccc(O)cc12 ZINC000013831971 343105619 /nfs/dbraw/zinc/10/56/19/343105619.db2.gz RCQVOQLTSIQULP-SMDDNHRTSA-N 1 0 215.296 2.459 10 0 BEAERO Nc1ccc2c(c1)OCC(C[NH+]1CCCC1)=C2 ZINC000145104190 343112099 /nfs/dbraw/zinc/11/20/99/343112099.db2.gz RCZRGUGEFOTUPP-UHFFFAOYSA-N 1 0 230.311 2.140 10 0 BEAERO Cn1ccnc1CC1CC[NH+](CCCF)CC1 ZINC000128906879 187233297 /nfs/dbraw/zinc/23/32/97/187233297.db2.gz KWRFZCBKZALKKS-UHFFFAOYSA-N 1 0 239.338 2.034 10 0 BEAERO Cc1ccc(C)c([C@@H](O)C(C)(C)C[NH3+])c1 ZINC000082640511 178498323 /nfs/dbraw/zinc/49/83/23/178498323.db2.gz SOBQFGQNLTVBJA-GFCCVEGCSA-N 1 0 207.317 2.322 10 0 BEAERO CC[C@H](C)Oc1ccccc1N1CC[NH2+]CC1 ZINC000034728775 343142595 /nfs/dbraw/zinc/14/25/95/343142595.db2.gz RCGFOIYBXPOPOY-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO O=C(CC1CC[NH2+]CC1)OCc1ccccc1 ZINC000093679726 343151684 /nfs/dbraw/zinc/15/16/84/343151684.db2.gz SINAXRLQVIULMJ-UHFFFAOYSA-N 1 0 233.311 2.120 10 0 BEAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668112856 488205123 /nfs/dbraw/zinc/20/51/23/488205123.db2.gz ZQUXZTWKMAKLFW-AXFHLTTASA-N 1 0 227.373 2.038 10 0 BEAERO COc1ccc([C@H](C)[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000079902862 187242645 /nfs/dbraw/zinc/24/26/45/187242645.db2.gz HEQNVGYATCAGKJ-MNOVXSKESA-N 1 0 235.327 2.417 10 0 BEAERO CC(C)[C@@](C)(O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000364351333 187243384 /nfs/dbraw/zinc/24/33/84/187243384.db2.gz FJQZPJXKRQPBPC-STQMWFEESA-N 1 0 211.349 2.125 10 0 BEAERO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](N)c2ccccc2)C1 ZINC000149934131 343196756 /nfs/dbraw/zinc/19/67/56/343196756.db2.gz CUCXWIFNYJIXIR-YRGRVCCFSA-N 1 0 218.344 2.417 10 0 BEAERO CC(C)C[C@H]([NH3+])NC(=O)OCc1ccccc1 ZINC000005284648 187247828 /nfs/dbraw/zinc/24/78/28/187247828.db2.gz VAKHWEMKIXNHBE-GFCCVEGCSA-N 1 0 236.315 2.244 10 0 BEAERO CCC(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000035634865 187248702 /nfs/dbraw/zinc/24/87/02/187248702.db2.gz XXMWWXKTOCTHIP-VIFPVBQESA-N 1 0 206.289 2.316 10 0 BEAERO C[NH2+]CCCc1cnn(Cc2ccc(F)cc2)c1 ZINC000071193467 343242188 /nfs/dbraw/zinc/24/21/88/343242188.db2.gz CVCUDUHFNDDETP-UHFFFAOYSA-N 1 0 247.317 2.223 10 0 BEAERO C[NH2+][C@@H]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000238329680 343255140 /nfs/dbraw/zinc/25/51/40/343255140.db2.gz WSVVXECRHMYUHE-MCIONIFRSA-N 1 0 219.328 2.498 10 0 BEAERO CCc1csc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000068890568 343251458 /nfs/dbraw/zinc/25/14/58/343251458.db2.gz FCKGNVIQGMFRBL-SNVBAGLBSA-N 1 0 227.377 2.491 10 0 BEAERO Cc1ccccc1C1=[NH+]CC(C)(C)CN1 ZINC000238465205 343257068 /nfs/dbraw/zinc/25/70/68/343257068.db2.gz RRBSPOMBTKKQRD-UHFFFAOYSA-N 1 0 202.301 2.371 10 0 BEAERO CCc1cccc(C)c1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163796244 136290631 /nfs/dbraw/zinc/29/06/31/136290631.db2.gz DNZVLUNOCYKWDF-NSHDSACASA-N 1 0 246.354 2.351 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)[C@@H]1CC1(C)C ZINC000397656143 262928742 /nfs/dbraw/zinc/92/87/42/262928742.db2.gz FZRMDGIGTQRXAK-SRVKXCTJSA-N 1 0 240.391 2.314 10 0 BEAERO CC(C)C[C@@H](C)Oc1ccc(C(N)=[NH2+])cn1 ZINC000019514027 187252955 /nfs/dbraw/zinc/25/29/55/187252955.db2.gz GGDUMUCDVQEUIX-SECBINFHSA-N 1 0 221.304 2.179 10 0 BEAERO CC(C)(C)c1ccc(SC[C@@H](O)C[NH3+])cc1 ZINC000019686839 187253055 /nfs/dbraw/zinc/25/30/55/187253055.db2.gz NBFOCVSKTPNPGR-NSHDSACASA-N 1 0 239.384 2.396 10 0 BEAERO CN(c1nc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC000034729101 343277703 /nfs/dbraw/zinc/27/77/03/343277703.db2.gz GGVWYFBRIAYWMW-SNVBAGLBSA-N 1 0 247.367 2.485 10 0 BEAERO CC[C@@H](C)Oc1ccccc1N1CC[NH2+]CC1 ZINC000034728772 343278026 /nfs/dbraw/zinc/27/80/26/343278026.db2.gz RCGFOIYBXPOPOY-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO CCc1ccc(OC[C@@H](C[NH3+])N2CCCC2)cc1 ZINC000020400552 187254027 /nfs/dbraw/zinc/25/40/27/187254027.db2.gz HCHGJBMLQHLVIM-CQSZACIVSA-N 1 0 248.370 2.051 10 0 BEAERO COC(=O)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000036803997 343324156 /nfs/dbraw/zinc/32/41/56/343324156.db2.gz OFISZRAOSGQKQV-GFCCVEGCSA-N 1 0 235.327 2.160 10 0 BEAERO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(F)cc1 ZINC000036901157 343326946 /nfs/dbraw/zinc/32/69/46/343326946.db2.gz LUTVYSQUSUJAIG-SNVBAGLBSA-N 1 0 233.290 2.410 10 0 BEAERO C[C@@H]([NH2+]Cc1ccnn1C)c1cccc(F)c1 ZINC000036901260 343327256 /nfs/dbraw/zinc/32/72/56/343327256.db2.gz ZGQVLZGHTUMXJP-SNVBAGLBSA-N 1 0 233.290 2.410 10 0 BEAERO C[C@H]1C[N@H+](CCC2CCOCC2)CCS1 ZINC000335619814 136296854 /nfs/dbraw/zinc/29/68/54/136296854.db2.gz USHBUUUYQFGGHM-NSHDSACASA-N 1 0 229.389 2.240 10 0 BEAERO CC(C)C[C@@H](C[NH3+])N1CCc2sccc2C1 ZINC000022223451 187254967 /nfs/dbraw/zinc/25/49/67/187254967.db2.gz GRGTUHQZXYOKSZ-LBPRGKRZSA-N 1 0 238.400 2.480 10 0 BEAERO CCc1csc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000070010885 343297097 /nfs/dbraw/zinc/29/70/97/343297097.db2.gz QZMVFMKKGVPGJS-SECBINFHSA-N 1 0 213.350 2.101 10 0 BEAERO Fc1cc(Br)ccc1CC1C[NH2+]C1 ZINC000022160533 187255386 /nfs/dbraw/zinc/25/53/86/187255386.db2.gz HQECNZZZGKULQQ-UHFFFAOYSA-N 1 0 244.107 2.350 10 0 BEAERO Cc1nnc(Sc2ccccc2C[NH3+])s1 ZINC000037669077 187253255 /nfs/dbraw/zinc/25/32/55/187253255.db2.gz NAYMJHNKFGZAFX-UHFFFAOYSA-N 1 0 237.353 2.456 10 0 BEAERO CC(C)C[C@@H](C)OC[C@H](O)C[NH2+][C@@H](C)C1CC1 ZINC000037889515 187253748 /nfs/dbraw/zinc/25/37/48/187253748.db2.gz BUJGRJCTPVYHTO-MBNYWOFBSA-N 1 0 243.391 2.187 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+]C1CCSCC1 ZINC000037988879 187253828 /nfs/dbraw/zinc/25/38/28/187253828.db2.gz VXFQKIKCMYJYNN-NSHDSACASA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)(C)c1ccccc1OC[C@H](O)CC[NH3+] ZINC000020399793 187253844 /nfs/dbraw/zinc/25/38/44/187253844.db2.gz MBGPEOSOXVWOQD-LLVKDONJSA-N 1 0 237.343 2.073 10 0 BEAERO CCOc1cc2c(cc1[C@H]1C[C@@H]1[NH3+])O[C@H](C)C2 ZINC000037381384 343344216 /nfs/dbraw/zinc/34/42/16/343344216.db2.gz WSQZNUSPGAJJGI-UISBYWKRSA-N 1 0 233.311 2.223 10 0 BEAERO COc1ccc([C@H](O)[C@H]([NH3+])CC(C)C)cc1 ZINC000032014648 187256637 /nfs/dbraw/zinc/25/66/37/187256637.db2.gz ZDPDXFMSJLMHEC-OLZOCXBDSA-N 1 0 223.316 2.102 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037729907 343352815 /nfs/dbraw/zinc/35/28/15/343352815.db2.gz OCFZHGWTHXLDLR-GARJFASQSA-N 1 0 225.332 2.249 10 0 BEAERO CC(C)[C@H]([NH3+])c1nc(-c2ccncc2)c[nH]1 ZINC000036876984 187258645 /nfs/dbraw/zinc/25/86/45/187258645.db2.gz BQXQCDFEDJFLDG-NSHDSACASA-N 1 0 216.288 2.128 10 0 BEAERO CC(C)(CO)[NH2+]Cc1ccc2ccccc2n1 ZINC000035114361 187257597 /nfs/dbraw/zinc/25/75/97/187257597.db2.gz FPAXIEKBWIMPIL-UHFFFAOYSA-N 1 0 230.311 2.095 10 0 BEAERO C[C@@H]1OCC[C@H]1c1ccc2c(c1)C[NH2+]C2 ZINC000147808259 343380780 /nfs/dbraw/zinc/38/07/80/343380780.db2.gz BQCBSDHTCZGICW-TVQRCGJNSA-N 1 0 203.285 2.182 10 0 BEAERO CC[C@H]1Cc2nc(SC)sc2C[NH2+]1 ZINC000039101735 343383883 /nfs/dbraw/zinc/38/38/83/343383883.db2.gz HLHIDSLWRFNLGX-LURJTMIESA-N 1 0 214.359 2.289 10 0 BEAERO CCC[C@H]1[NH2+]Cc2sc(N)nc2[C@@H]1C ZINC000039109080 343384934 /nfs/dbraw/zinc/38/49/34/343384934.db2.gz ANZGPGIGZNKFSM-RNFRBKRXSA-N 1 0 211.334 2.101 10 0 BEAERO Cc1cc(C)n(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000041671208 343422576 /nfs/dbraw/zinc/42/25/76/343422576.db2.gz OEVHWKAPKZOJLT-LBPRGKRZSA-N 1 0 207.321 2.032 10 0 BEAERO CCc1cc(CC)nc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000310305093 343423356 /nfs/dbraw/zinc/42/33/56/343423356.db2.gz OSRBYVNMOSGENB-UWVGGRQHSA-N 1 0 236.363 2.139 10 0 BEAERO Cn1ccnc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000042222575 343431439 /nfs/dbraw/zinc/43/14/39/343431439.db2.gz ZZNVWLVACKDEMR-UHFFFAOYSA-N 1 0 249.745 2.406 10 0 BEAERO Cc1ccnc(N[C@H](C[NH3+])CC(C)C)c1 ZINC000082593098 343450107 /nfs/dbraw/zinc/45/01/07/343450107.db2.gz IFOCEXKSRYTSAV-NSHDSACASA-N 1 0 207.321 2.175 10 0 BEAERO CN(CC1CC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037925290 187261371 /nfs/dbraw/zinc/26/13/71/187261371.db2.gz LSVKLZMQQIYTDV-ZDUSSCGKSA-N 1 0 240.297 2.306 10 0 BEAERO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000085966418 488221101 /nfs/dbraw/zinc/22/11/01/488221101.db2.gz JTNRXARNZFPXSG-XQQFMLRXSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1cc(C[NH2+]CCOc2ccccc2)on1 ZINC000044292655 343497644 /nfs/dbraw/zinc/49/76/44/343497644.db2.gz AGHZYMRZUKWRLF-UHFFFAOYSA-N 1 0 232.283 2.152 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000308953577 346943280 /nfs/dbraw/zinc/94/32/80/346943280.db2.gz YKVHLJSKVFIJGO-QNWHQSFQSA-N 1 0 210.365 2.105 10 0 BEAERO COC(=O)c1ccccc1[C@H]1CCCC[NH2+]1 ZINC000044135440 343492788 /nfs/dbraw/zinc/49/27/88/343492788.db2.gz IEQZQZOYCGACDC-GFCCVEGCSA-N 1 0 219.284 2.288 10 0 BEAERO CC1(C)[C@@H]([NH2+]C2CCCC2)[C@@H]2CCO[C@@H]21 ZINC000082943801 343472401 /nfs/dbraw/zinc/47/24/01/343472401.db2.gz RWWDZVSKPHKNHH-SRVKXCTJSA-N 1 0 209.333 2.332 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000082945486 343472987 /nfs/dbraw/zinc/47/29/87/343472987.db2.gz KBRINDQJFYOQSL-IIRVCBMXSA-N 1 0 209.333 2.188 10 0 BEAERO CC(C)(C)[C@H]1[NH2+][C@@H](C(N)=O)C[C@H]2CCCC[C@H]21 ZINC000039953866 187263041 /nfs/dbraw/zinc/26/30/41/187263041.db2.gz QEVWIWYBRGIBPE-KKOKHZNYSA-N 1 0 238.375 2.055 10 0 BEAERO CC(C)[C@H](NC(=O)C(C)(C)[NH3+])c1cccs1 ZINC000040922113 187264384 /nfs/dbraw/zinc/26/43/84/187264384.db2.gz CFXZBDGUXGJJKK-JTQLQIEISA-N 1 0 240.372 2.299 10 0 BEAERO CCOC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712536714 537789025 /nfs/dbraw/zinc/78/90/25/537789025.db2.gz HKINPCCPJAXLNP-LLVKDONJSA-N 1 0 211.330 2.146 10 0 BEAERO c1cc2c(s1)[C@]1(CCSC1)[NH2+]CC2 ZINC000712574559 537789069 /nfs/dbraw/zinc/78/90/69/537789069.db2.gz WZHNANGENILLGN-SNVBAGLBSA-N 1 0 211.355 2.226 10 0 BEAERO CC(C)N1CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712536750 537789144 /nfs/dbraw/zinc/78/91/44/537789144.db2.gz LYXPKQYXYIYKQJ-CYBMUJFWSA-N 1 0 236.384 2.203 10 0 BEAERO CC(C)N(CCO)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000042479744 187265443 /nfs/dbraw/zinc/26/54/43/187265443.db2.gz NELSOCDTVDGXED-SNVBAGLBSA-N 1 0 240.322 2.053 10 0 BEAERO CCn1cncc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712541698 537789349 /nfs/dbraw/zinc/78/93/49/537789349.db2.gz AFVQWIDJQWIVGE-NSHDSACASA-N 1 0 233.340 2.200 10 0 BEAERO CC(C)[N@H+](CCCO)[C@H](C)c1cccc(N)c1 ZINC000042483033 187265577 /nfs/dbraw/zinc/26/55/77/187265577.db2.gz XHDXICJJCMKFFD-GFCCVEGCSA-N 1 0 236.359 2.423 10 0 BEAERO Cc1c(F)cccc1N1CC[NH2+]C[C@@H](C)C1 ZINC000043321934 187266952 /nfs/dbraw/zinc/26/69/52/187266952.db2.gz YBSMDYZQUQQQAD-SNVBAGLBSA-N 1 0 222.307 2.180 10 0 BEAERO CC(C)N(CC1CC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000042591495 187266368 /nfs/dbraw/zinc/26/63/68/187266368.db2.gz WKRIEEVUJCIQKV-CQSZACIVSA-N 1 0 246.354 2.333 10 0 BEAERO CC1(C)C[C@@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712562586 537791933 /nfs/dbraw/zinc/79/19/33/537791933.db2.gz JAMDLYXEPSRQAS-LBPRGKRZSA-N 1 0 223.341 2.288 10 0 BEAERO O[C@@H]1[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCC[C@@H]12 ZINC000379699883 343599322 /nfs/dbraw/zinc/59/93/22/343599322.db2.gz FATDNWRGTCDFNX-NJMOYASZSA-N 1 0 209.333 2.068 10 0 BEAERO O[C@H]1[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCC[C@H]12 ZINC000379699882 343599546 /nfs/dbraw/zinc/59/95/46/343599546.db2.gz FATDNWRGTCDFNX-FPYNETTCSA-N 1 0 209.333 2.068 10 0 BEAERO C1CSC2(CCC[NH2+]CC2)SC1 ZINC000039325835 187267204 /nfs/dbraw/zinc/26/72/04/187267204.db2.gz QCAOMHLBLGTALV-UHFFFAOYSA-N 1 0 203.376 2.326 10 0 BEAERO CC(C)[C@H]([NH3+])[C@H](O)c1cc(Cl)ccc1F ZINC000083264960 187267576 /nfs/dbraw/zinc/26/75/76/187267576.db2.gz NZDWHHLKGZXMMZ-WDEREUQCSA-N 1 0 231.698 2.496 10 0 BEAERO CC[C@H](OC)[C@H]1[NH2+]CCc2ccsc21 ZINC000712559376 537793909 /nfs/dbraw/zinc/79/39/09/537793909.db2.gz QZKJMTUIVXGEIR-VHSXEESVSA-N 1 0 211.330 2.360 10 0 BEAERO CC(C)[C@@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000086121717 343610540 /nfs/dbraw/zinc/61/05/40/343610540.db2.gz WCSHITWEOYCDPU-WXRRBKDZSA-N 1 0 213.365 2.419 10 0 BEAERO O=C1CC[N@@H+]2C[C@@H](c3ccccc3F)C[C@@H]2C1 ZINC000205002026 343610885 /nfs/dbraw/zinc/61/08/85/343610885.db2.gz YDYXSUWRRBQAET-WDEREUQCSA-N 1 0 233.286 2.347 10 0 BEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(C)C)C1 ZINC000319595334 343640879 /nfs/dbraw/zinc/64/08/79/343640879.db2.gz VWHXLLHWFATILT-NWDGAFQWSA-N 1 0 227.348 2.306 10 0 BEAERO CC[N@@H+]1CC[C@H](c2cnnc3ccccc32)C1 ZINC000616613403 349823016 /nfs/dbraw/zinc/82/30/16/349823016.db2.gz IIKDIWIUYOPWTL-NSHDSACASA-N 1 0 227.311 2.439 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2cccn2C)C[C@H](C)O1 ZINC000282260012 187343916 /nfs/dbraw/zinc/34/39/16/187343916.db2.gz PCCPPAPPTZNYCK-RYUDHWBXSA-N 1 0 236.359 2.318 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1cc(C)ccn1 ZINC000087780049 343660546 /nfs/dbraw/zinc/66/05/46/343660546.db2.gz BPCJXOBBGWDMKL-LLVKDONJSA-N 1 0 207.321 2.319 10 0 BEAERO Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051871009 187270881 /nfs/dbraw/zinc/27/08/81/187270881.db2.gz JBCYTICFBZNIOU-LBPRGKRZSA-N 1 0 220.316 2.301 10 0 BEAERO COc1ccc(C(=O)C[NH2+]CC(C)C)cc1 ZINC000049818346 187270440 /nfs/dbraw/zinc/27/04/40/187270440.db2.gz RIDUREPFRAKJJD-UHFFFAOYSA-N 1 0 221.300 2.124 10 0 BEAERO COc1ccc(CN2CCC[NH2+][C@@H](C)CC2)cc1 ZINC000049663498 187270552 /nfs/dbraw/zinc/27/05/52/187270552.db2.gz ZWBDEJCWKBWCGV-ZDUSSCGKSA-N 1 0 248.370 2.269 10 0 BEAERO Oc1ccc(SC[C@@H]2CC[NH2+]C2)cc1 ZINC000051891068 187270848 /nfs/dbraw/zinc/27/08/48/187270848.db2.gz TWGNXRQTBLKSEN-SECBINFHSA-N 1 0 209.314 2.094 10 0 BEAERO CC(C)[C@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000083936797 343686277 /nfs/dbraw/zinc/68/62/77/343686277.db2.gz RHAKCEYKEQYTCO-WXRRBKDZSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@H]1CC[C@H](C)O1 ZINC000300017266 537802901 /nfs/dbraw/zinc/80/29/01/537802901.db2.gz QYXWRBVLRMVIJG-HBNTYKKESA-N 1 0 221.304 2.116 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000088163009 343709745 /nfs/dbraw/zinc/70/97/45/343709745.db2.gz OHSGFHWTEYISBU-WCFLWFBJSA-N 1 0 211.349 2.458 10 0 BEAERO CC[C@H]1CN(c2ccsc2)[C@@H](C)C[NH2+]1 ZINC000227285088 343722014 /nfs/dbraw/zinc/72/20/14/343722014.db2.gz LDFBWFJDGNQVIC-UWVGGRQHSA-N 1 0 210.346 2.325 10 0 BEAERO CC[C@@H]1CN(c2ccsc2)[C@@H](C)C[NH2+]1 ZINC000227285082 343722233 /nfs/dbraw/zinc/72/22/33/343722233.db2.gz LDFBWFJDGNQVIC-VHSXEESVSA-N 1 0 210.346 2.325 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1nncn1C1CCCC1 ZINC000054526451 187272252 /nfs/dbraw/zinc/27/22/52/187272252.db2.gz WEDFHIMZGYYNOU-LLVKDONJSA-N 1 0 222.336 2.439 10 0 BEAERO CO[C@H]1CC[NH2+]C[C@H]1Cc1ccc(C)cc1 ZINC000221690826 346963808 /nfs/dbraw/zinc/96/38/08/346963808.db2.gz RNLHWIWROBMZDV-KGLIPLIRSA-N 1 0 219.328 2.162 10 0 BEAERO CC[C@H](CC[NH3+])NC(=O)CCc1ccc(C)cc1 ZINC000054161906 187272444 /nfs/dbraw/zinc/27/24/44/187272444.db2.gz DXEVERGAUJFEBX-CQSZACIVSA-N 1 0 248.370 2.171 10 0 BEAERO Clc1ccc2c(c1)CC[C@@]1(CC[NH2+]C1)O2 ZINC000036142000 343779417 /nfs/dbraw/zinc/77/94/17/343779417.db2.gz BDSXYAFEFYJPNX-LBPRGKRZSA-N 1 0 223.703 2.397 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CNc1cc(Cl)ncn1 ZINC000048631192 343782134 /nfs/dbraw/zinc/78/21/34/343782134.db2.gz HRDAHJBBYRQTGU-VIFPVBQESA-N 1 0 240.738 2.026 10 0 BEAERO C(c1nc(C2CCCC2)no1)[C@@H]1CCCC[NH2+]1 ZINC000096876744 343785089 /nfs/dbraw/zinc/78/50/89/343785089.db2.gz HMFHWOPXWAKPKJ-NSHDSACASA-N 1 0 235.331 2.412 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1nccc2sccc21 ZINC000054374973 343789574 /nfs/dbraw/zinc/78/95/74/343789574.db2.gz YTSUJUNQMYPUPU-SECBINFHSA-N 1 0 233.340 2.094 10 0 BEAERO CC(C)Cc1noc([C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000070501628 187274559 /nfs/dbraw/zinc/27/45/59/187274559.db2.gz BWQNVPIDCCZJCR-NXEZZACHSA-N 1 0 223.320 2.253 10 0 BEAERO F[C@H](CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000409422576 343813861 /nfs/dbraw/zinc/81/38/61/343813861.db2.gz GIEYHHZUSIOGSO-GFCCVEGCSA-N 1 0 242.725 2.256 10 0 BEAERO C=Cc1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000409422630 343813902 /nfs/dbraw/zinc/81/39/02/343813902.db2.gz GWXSBQZQECGSGX-AWEZNQCLSA-N 1 0 217.312 2.144 10 0 BEAERO C=Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000409422631 343813932 /nfs/dbraw/zinc/81/39/32/343813932.db2.gz GWXSBQZQECGSGX-CQSZACIVSA-N 1 0 217.312 2.144 10 0 BEAERO C=Cc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000409423920 343816777 /nfs/dbraw/zinc/81/67/77/343816777.db2.gz RPGFGXSNVWRYRT-AWEZNQCLSA-N 1 0 217.312 2.286 10 0 BEAERO C=Cc1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC000409424058 343816843 /nfs/dbraw/zinc/81/68/43/343816843.db2.gz SQDJCJMQEVVYDU-AWEZNQCLSA-N 1 0 216.328 2.253 10 0 BEAERO c1[nH]c2ccccc2c1SC1C[NH2+]C1 ZINC000409431302 343822111 /nfs/dbraw/zinc/82/21/11/343822111.db2.gz JBIHOXKNWGJDQU-UHFFFAOYSA-N 1 0 204.298 2.232 10 0 BEAERO Cc1nc(N2[C@H](C)CCC[C@H]2C)cc(N)[nH+]1 ZINC000409431367 343822964 /nfs/dbraw/zinc/82/29/64/343822964.db2.gz POUITQNBOMVVCO-RKDXNWHRSA-N 1 0 220.320 2.135 10 0 BEAERO COC(=O)[C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409431646 343824276 /nfs/dbraw/zinc/82/42/76/343824276.db2.gz RRJBIWLHSMLLKD-UKRRQHHQSA-N 1 0 245.322 2.072 10 0 BEAERO FC1(F)C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000409429288 343805195 /nfs/dbraw/zinc/80/51/95/343805195.db2.gz CCIFSBIVNOUHNM-LLVKDONJSA-N 1 0 225.238 2.293 10 0 BEAERO C[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000051523276 349872334 /nfs/dbraw/zinc/87/23/34/349872334.db2.gz BARJYJFTNPCKQN-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]CCOc1ccc(C(F)F)cc1 ZINC000409432918 343828270 /nfs/dbraw/zinc/82/82/70/343828270.db2.gz PSLSETBOTBQUCL-UHFFFAOYSA-N 1 0 201.216 2.222 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000187916668 259371467 /nfs/dbraw/zinc/37/14/67/259371467.db2.gz DGWKWPYLZHBTFR-LLVKDONJSA-N 1 0 236.363 2.228 10 0 BEAERO CCN(C(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1[NH3+] ZINC000409440670 343853009 /nfs/dbraw/zinc/85/30/09/343853009.db2.gz LZACQZFRYLFSDK-UWVGGRQHSA-N 1 0 228.336 2.123 10 0 BEAERO [NH3+]CCc1c(C2CC2)[nH]nc1C1CCCC1 ZINC000409439887 343853271 /nfs/dbraw/zinc/85/32/71/343853271.db2.gz KHEWYPUFLZXNDX-UHFFFAOYSA-N 1 0 219.332 2.446 10 0 BEAERO CC(C)c1[nH]nc(-c2ccoc2)c1C[NH3+] ZINC000409439852 343853400 /nfs/dbraw/zinc/85/34/00/343853400.db2.gz JVKAHDWEHFFZMV-UHFFFAOYSA-N 1 0 205.261 2.252 10 0 BEAERO CSCC[C@@H]([NH3+])c1ncc2ccccn21 ZINC000409442159 343857320 /nfs/dbraw/zinc/85/73/20/343857320.db2.gz TVLHQTAVMVXUMZ-SNVBAGLBSA-N 1 0 221.329 2.087 10 0 BEAERO Cc1cccc([C@H]2Cc3c(cnn3C)[C@H]([NH3+])C2)c1 ZINC000072415861 187277010 /nfs/dbraw/zinc/27/70/10/187277010.db2.gz YZYAJNXRNXDIMZ-TZMCWYRMSA-N 1 0 241.338 2.458 10 0 BEAERO CC(C)(C)[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000409433776 343830539 /nfs/dbraw/zinc/83/05/39/343830539.db2.gz STCOZWUYKYDOOB-KGLIPLIRSA-N 1 0 232.371 2.492 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H]1c1csc(N)n1 ZINC000072367743 187276543 /nfs/dbraw/zinc/27/65/43/187276543.db2.gz DIMGUSXXXKOSOF-VIFPVBQESA-N 1 0 211.334 2.271 10 0 BEAERO CC(C)Cn1ccn2nc(C3CC3)c(C[NH3+])c12 ZINC000409437112 343842371 /nfs/dbraw/zinc/84/23/71/343842371.db2.gz BZCCGAPOBTZWQM-UHFFFAOYSA-N 1 0 232.331 2.128 10 0 BEAERO c1coc(-c2cnn(C[C@@H]3CCC[NH2+]C3)c2)c1 ZINC000409437058 343842411 /nfs/dbraw/zinc/84/24/11/343842411.db2.gz DBZUXAAZLMXACU-LLVKDONJSA-N 1 0 231.299 2.143 10 0 BEAERO CCn1cc(CC[NH2+]C)c(-c2ccsc2)n1 ZINC000409438408 343843776 /nfs/dbraw/zinc/84/37/76/343843776.db2.gz LHHFRIYHKSHWGD-UHFFFAOYSA-N 1 0 235.356 2.393 10 0 BEAERO NC(=[NH2+])c1cn(CC2CC2)nc1-c1ccsc1 ZINC000409438829 343845338 /nfs/dbraw/zinc/84/53/38/343845338.db2.gz MQKDZTAUCLBRAA-UHFFFAOYSA-N 1 0 246.339 2.306 10 0 BEAERO CC(C)c1[nH]nc(-c2ccncc2)c1C[NH3+] ZINC000409438826 343845392 /nfs/dbraw/zinc/84/53/92/343845392.db2.gz GCVIYVBGKMOFNT-UHFFFAOYSA-N 1 0 216.288 2.054 10 0 BEAERO NC(=[NH2+])Cn1nc(-c2cccs2)cc1C1CC1 ZINC000409439635 343847894 /nfs/dbraw/zinc/84/78/94/343847894.db2.gz JGSXWBROBFQFKV-UHFFFAOYSA-N 1 0 246.339 2.425 10 0 BEAERO [NH3+]CCCn1ccn2nc(-c3ccsc3)cc12 ZINC000409439560 343848055 /nfs/dbraw/zinc/84/80/55/343848055.db2.gz RZWDXDJYUDSTOI-UHFFFAOYSA-N 1 0 246.339 2.213 10 0 BEAERO C[NH2+]Cc1cn(CCF)nc1-c1cccs1 ZINC000409437680 343848345 /nfs/dbraw/zinc/84/83/45/343848345.db2.gz IBUKGNVUWCZBHM-UHFFFAOYSA-N 1 0 239.319 2.301 10 0 BEAERO [NH3+]Cc1c(-c2ccoc2)n[nH]c1C1CCC1 ZINC000409437830 343848846 /nfs/dbraw/zinc/84/88/46/343848846.db2.gz AJBXGFHYAGLEDY-UHFFFAOYSA-N 1 0 217.272 2.396 10 0 BEAERO Nc1cc(-c2ccsc2)nn1[C@H]1CCC[NH2+]C1 ZINC000409440189 343851156 /nfs/dbraw/zinc/85/11/56/343851156.db2.gz SIEQPIMKNBWBEF-JTQLQIEISA-N 1 0 248.355 2.118 10 0 BEAERO CC[C@]1(CNCc2ccccc2)CCC[NH2+]1 ZINC000215403052 349878402 /nfs/dbraw/zinc/87/84/02/349878402.db2.gz SUSNJMHBPHAWAB-CQSZACIVSA-N 1 0 218.344 2.308 10 0 BEAERO CCn1nc([C@H]2CCCC[NH2+]2)c2c1CCC2 ZINC000409440544 343852493 /nfs/dbraw/zinc/85/24/93/343852493.db2.gz UMABMIRUIIOXMH-LLVKDONJSA-N 1 0 219.332 2.206 10 0 BEAERO Cc1ccnc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000328153335 537828214 /nfs/dbraw/zinc/82/82/14/537828214.db2.gz FZKZOOOPLFSJCQ-UKRRQHHQSA-N 1 0 245.370 2.059 10 0 BEAERO C[N@@H+]1C[C@H](CO)C[C@@H]1c1cccc(Cl)c1 ZINC000409442296 343857806 /nfs/dbraw/zinc/85/78/06/343857806.db2.gz UPUMMBCBMAMHRE-BXKDBHETSA-N 1 0 225.719 2.325 10 0 BEAERO [NH3+]CCn1nc(-c2cccs2)c2c1CCCC2 ZINC000409441510 343859466 /nfs/dbraw/zinc/85/94/66/343859466.db2.gz YWHZXYRIHGBLON-UHFFFAOYSA-N 1 0 247.367 2.449 10 0 BEAERO [NH2+]=C(NO)[C@@H](c1cccs1)N1CCCCC1 ZINC000409441804 343861285 /nfs/dbraw/zinc/86/12/85/343861285.db2.gz RDBXAKHBGGGDBH-SNVBAGLBSA-N 1 0 239.344 2.231 10 0 BEAERO NC(=[NH2+])CCc1c[nH]nc1-c1ccsc1 ZINC000409441891 343861869 /nfs/dbraw/zinc/86/18/69/343861869.db2.gz ULYVRUKFCMXPKE-UHFFFAOYSA-N 1 0 220.301 2.007 10 0 BEAERO CCn1nc(-c2ccsc2)cc1C[NH3+] ZINC000409443973 343863849 /nfs/dbraw/zinc/86/38/49/343863849.db2.gz XRGUVMOCEWVHIZ-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO CCc1cc(C(F)(F)F)nn1C[C@@H]1CCC[NH2+]1 ZINC000409442886 343864893 /nfs/dbraw/zinc/86/48/93/343864893.db2.gz CNINUAACZPQCQG-QMMMGPOBSA-N 1 0 247.264 2.216 10 0 BEAERO CCn1c2ccc(OC)cc2nc1[C@@H](C)[NH3+] ZINC000074297660 187277079 /nfs/dbraw/zinc/27/70/79/187277079.db2.gz RHLVFJIHTRGRPB-MRVPVSSYSA-N 1 0 219.288 2.085 10 0 BEAERO C[NH2+]Cc1cc(-c2ccccc2)nn1CCF ZINC000409443167 343866263 /nfs/dbraw/zinc/86/62/63/343866263.db2.gz ICVFTTKPRRSPGV-UHFFFAOYSA-N 1 0 233.290 2.239 10 0 BEAERO COc1ccc(Br)c(C[NH3+])c1F ZINC000075844821 187278269 /nfs/dbraw/zinc/27/82/69/187278269.db2.gz CNRWJJLHEGSLJS-UHFFFAOYSA-N 1 0 234.068 2.056 10 0 BEAERO CCOc1ccc([C@@H](C)N2CC[NH2+]CC2)cc1 ZINC000022118816 343906619 /nfs/dbraw/zinc/90/66/19/343906619.db2.gz DXONREKZPNWEDR-GFCCVEGCSA-N 1 0 234.343 2.052 10 0 BEAERO CC[C@H](CC(F)F)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000641182868 362259018 /nfs/dbraw/zinc/25/90/18/362259018.db2.gz UMBZNJDJVFJBLQ-MRVPVSSYSA-N 1 0 246.305 2.153 10 0 BEAERO CC(C)([NH3+])[C@H](O)c1ccccc1Br ZINC000071558617 343964827 /nfs/dbraw/zinc/96/48/27/343964827.db2.gz QSNDUGGRPZQJAW-SECBINFHSA-N 1 0 244.132 2.220 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H](Sc2ncco2)C1 ZINC000234422261 343965831 /nfs/dbraw/zinc/96/58/31/343965831.db2.gz DWBIYYJRDXPSER-RKDXNWHRSA-N 1 0 212.318 2.297 10 0 BEAERO [NH3+]C1CCC(Nc2ncnc3ccccc32)CC1 ZINC000051693657 259372058 /nfs/dbraw/zinc/37/20/58/259372058.db2.gz CJNYIVKKOKHUIN-UHFFFAOYSA-N 1 0 242.326 2.312 10 0 BEAERO C[NH+]1CCC(OC(=O)CCc2ccccc2)CC1 ZINC000087493405 187286093 /nfs/dbraw/zinc/28/60/93/187286093.db2.gz BXNJBYLFJATBGS-UHFFFAOYSA-N 1 0 247.338 2.257 10 0 BEAERO CC(C)(C)c1ncc(C[NH3+])cc1OC1CC1 ZINC000095737774 187287401 /nfs/dbraw/zinc/28/74/01/187287401.db2.gz DYDBQELJJJAYNZ-UHFFFAOYSA-N 1 0 220.316 2.379 10 0 BEAERO CC1(C)C[N@H+](C2CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000335917416 344086038 /nfs/dbraw/zinc/08/60/38/344086038.db2.gz NWZKXCZDGQIQOO-NWDGAFQWSA-N 1 0 209.333 2.428 10 0 BEAERO CC[C@@H]1CCN(C(=O)C2CCCCC2)C[C@H]1[NH3+] ZINC000616570197 344171765 /nfs/dbraw/zinc/17/17/65/344171765.db2.gz MJTFPXSCWACKBI-DGCLKSJQSA-N 1 0 238.375 2.153 10 0 BEAERO CCCN(CCC)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735280 344122578 /nfs/dbraw/zinc/12/25/78/344122578.db2.gz AYYLEGBTXBWKNM-JSGCOSHPSA-N 1 0 238.375 2.025 10 0 BEAERO Cc1cccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000634735635 344123112 /nfs/dbraw/zinc/12/31/12/344123112.db2.gz LUYFBNAZKSHMDG-WFASDCNBSA-N 1 0 244.338 2.323 10 0 BEAERO COCOCC(C)(C)C[NH2+]Cc1ccccc1 ZINC000234703579 344209875 /nfs/dbraw/zinc/20/98/75/344209875.db2.gz BOGHIGLIAORSJX-UHFFFAOYSA-N 1 0 237.343 2.423 10 0 BEAERO CCn1ccnc1C[NH2+]C1(CC)CCC1 ZINC000129073952 344210102 /nfs/dbraw/zinc/21/01/02/344210102.db2.gz ZNMKXOCWZKZJOZ-UHFFFAOYSA-N 1 0 207.321 2.325 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])c2nc(C(F)(F)F)ccc2N1 ZINC000218061422 344214284 /nfs/dbraw/zinc/21/42/84/344214284.db2.gz OMBQLJBDANDAIU-RITPCOANSA-N 1 0 231.221 2.304 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236629098 187290083 /nfs/dbraw/zinc/29/00/83/187290083.db2.gz JBFCCIZETKGCIT-UPJWGTAASA-N 1 0 240.391 2.397 10 0 BEAERO COCc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000088553515 344240517 /nfs/dbraw/zinc/24/05/17/344240517.db2.gz AGAISIBLOPNTAZ-GJZGRUSLSA-N 1 0 249.354 2.226 10 0 BEAERO CC(C)C[C@H]1CCN(C(=O)C2CCC2)C[C@@H]1[NH3+] ZINC000616571828 344181777 /nfs/dbraw/zinc/18/17/77/344181777.db2.gz SHLCBWVIIZYOIH-OLZOCXBDSA-N 1 0 238.375 2.008 10 0 BEAERO CCC[C@@H](CC)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634748164 344182384 /nfs/dbraw/zinc/18/23/84/344182384.db2.gz OSPWTUIBGVUMDI-SCRDCRAPSA-N 1 0 238.375 2.071 10 0 BEAERO CC[C@H](C)c1nnc([C@H]([NH3+])C(C)(C)C)[nH]1 ZINC000616573877 344186053 /nfs/dbraw/zinc/18/60/53/344186053.db2.gz LURSKXHDOOSSRV-YUMQZZPRSA-N 1 0 210.325 2.364 10 0 BEAERO C[C@@](C[NH3+])(CC1CC1)c1cnc(C(F)F)nc1 ZINC000217350757 344190838 /nfs/dbraw/zinc/19/08/38/344190838.db2.gz KSCHOJPQAMDEGM-LBPRGKRZSA-N 1 0 241.285 2.431 10 0 BEAERO COc1cccc([C@@H](C)[NH2+]Cc2cncnc2)c1 ZINC000054767929 344251588 /nfs/dbraw/zinc/25/15/88/344251588.db2.gz GTMVFFYVTNFRKT-LLVKDONJSA-N 1 0 243.310 2.336 10 0 BEAERO Cc1ccc(C[C@]2(C[NH3+])CCOC2)cc1C ZINC000054637770 178653339 /nfs/dbraw/zinc/65/33/39/178653339.db2.gz ZXGLBHQOBUSVGB-AWEZNQCLSA-N 1 0 219.328 2.211 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400075534 344278597 /nfs/dbraw/zinc/27/85/97/344278597.db2.gz OCBUCINDWPHLGN-TUUUFIMRSA-N 1 0 238.375 2.056 10 0 BEAERO CCC[C@H](C)C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000133138113 344314247 /nfs/dbraw/zinc/31/42/47/344314247.db2.gz RWGRUPSTUBZCAR-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc2ccccc2n1 ZINC000385185714 344365979 /nfs/dbraw/zinc/36/59/79/344365979.db2.gz KUEOFSMVHKTMGO-PWSUYJOCSA-N 1 0 227.311 2.161 10 0 BEAERO Cc1[nH]c2c([nH+]1)C[C@@H](C(F)(F)F)CC2 ZINC000216980000 344353720 /nfs/dbraw/zinc/35/37/20/344353720.db2.gz RAMWNNPWLYDBDE-LURJTMIESA-N 1 0 204.195 2.385 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CN1c1cc(C(F)(F)F)ccn1 ZINC000385177705 344360349 /nfs/dbraw/zinc/36/03/49/344360349.db2.gz WBPVTJKFSIMZIU-IONNQARKSA-N 1 0 245.248 2.026 10 0 BEAERO CCCC(CCC)[NH2+][C@@H](C(=O)NC)C(C)C ZINC000132426692 344301804 /nfs/dbraw/zinc/30/18/04/344301804.db2.gz OCFNVAMHBOGJPD-GFCCVEGCSA-N 1 0 228.380 2.315 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CN1c1ccnc(C(F)(F)F)c1 ZINC000385226705 344378321 /nfs/dbraw/zinc/37/83/21/344378321.db2.gz IFCCDOALMDIODK-YUMQZZPRSA-N 1 0 245.248 2.026 10 0 BEAERO CCCOc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000300090484 344388847 /nfs/dbraw/zinc/38/88/47/344388847.db2.gz QYZKQCOUQOGJSP-SWLSCSKDSA-N 1 0 248.370 2.254 10 0 BEAERO CCOC(=O)[C@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000167778720 347050753 /nfs/dbraw/zinc/05/07/53/347050753.db2.gz NVPIFHWSQGHKJC-JTQLQIEISA-N 1 0 213.321 2.060 10 0 BEAERO [NH3+]Cc1cccc2cc(Br)cnc21 ZINC000216984290 344406106 /nfs/dbraw/zinc/40/61/06/344406106.db2.gz ZLJPUJWNACYZQA-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO Nc1ccc2c(c1)[nH]cc2C1CC[NH2+]CC1 ZINC000084298976 344418097 /nfs/dbraw/zinc/41/80/97/344418097.db2.gz YFCLLLGWDCGJKG-UHFFFAOYSA-N 1 0 215.300 2.217 10 0 BEAERO C[N@H+](CC1CCCCC1)[C@H]1CCC[C@@H]1O ZINC000042494077 344455368 /nfs/dbraw/zinc/45/53/68/344455368.db2.gz KHVFSADZXSPUFE-STQMWFEESA-N 1 0 211.349 2.412 10 0 BEAERO COc1cc([C@@](C)(F)C[NH3+])ccc1Cl ZINC000158250527 344571975 /nfs/dbraw/zinc/57/19/75/344571975.db2.gz ASHCSAQJKSVMQF-JTQLQIEISA-N 1 0 217.671 2.492 10 0 BEAERO C[C@](F)(C[NH3+])[C@H]1CCOC2(CCC2)C1 ZINC000158252947 344575624 /nfs/dbraw/zinc/57/56/24/344575624.db2.gz MNSSQPJTIIOEJO-UWVGGRQHSA-N 1 0 201.285 2.023 10 0 BEAERO CCNc1cc(Br)cc(C[NH3+])c1 ZINC000227592439 344563858 /nfs/dbraw/zinc/56/38/58/344563858.db2.gz RGZHZMZBUOLIMK-UHFFFAOYSA-N 1 0 229.121 2.340 10 0 BEAERO C[NH+](C)CCc1cc(-c2ccccc2)on1 ZINC000002040208 362486848 /nfs/dbraw/zinc/48/68/48/362486848.db2.gz CHXNVLTUKKKSBE-UHFFFAOYSA-N 1 0 216.284 2.446 10 0 BEAERO CN(C)c1cccc(OC(F)(F)F)c1C[NH3+] ZINC000396117366 344607012 /nfs/dbraw/zinc/60/70/12/344607012.db2.gz GCYKVOAJAGKJKA-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO CC(C)(C)C(=O)C[N@@H+]1CCCSCC1 ZINC000050157686 344650468 /nfs/dbraw/zinc/65/04/68/344650468.db2.gz PCUNSABSTRHXJO-UHFFFAOYSA-N 1 0 215.362 2.041 10 0 BEAERO CC[C@@H]1CCN(Cc2nnc(Cl)s2)C1 ZINC000166113523 344741571 /nfs/dbraw/zinc/74/15/71/344741571.db2.gz GVDIPQSNBNQWEQ-SSDOTTSWSA-N 1 0 231.752 2.423 10 0 BEAERO CNc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000050423058 344687508 /nfs/dbraw/zinc/68/75/08/344687508.db2.gz HDWIQBRDVKPWHE-UHFFFAOYSA-N 1 0 204.195 2.206 10 0 BEAERO CC1([C@H]2[NH2+]CCc3nc[nH]c32)CCCC1 ZINC000400382895 537855304 /nfs/dbraw/zinc/85/53/04/537855304.db2.gz LUAGTHZYCNEARM-NSHDSACASA-N 1 0 205.305 2.177 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400378090 537855315 /nfs/dbraw/zinc/85/53/15/537855315.db2.gz DLCVRMBCDXDIPS-SCVCMEIPSA-N 1 0 219.332 2.423 10 0 BEAERO CS[C@@H]1CC[C@H]([N@@H+]2CCC(=O)[C@@H](C)C2)C1 ZINC000235122078 344804492 /nfs/dbraw/zinc/80/44/92/344804492.db2.gz JCJVQOMZVZVDIL-GARJFASQSA-N 1 0 227.373 2.181 10 0 BEAERO Cc1cc([C@H]2[NH2+]CCc3nc[nH]c32)cs1 ZINC000400570648 537860908 /nfs/dbraw/zinc/86/09/08/537860908.db2.gz QFQTUJPHECVMRG-SNVBAGLBSA-N 1 0 219.313 2.015 10 0 BEAERO CCC1CCC([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052999 537861107 /nfs/dbraw/zinc/86/11/07/537861107.db2.gz JYFAEUGZCLVNSH-UDNWOFFPSA-N 1 0 239.281 2.455 10 0 BEAERO C[C@H](c1csc(Cl)c1)N1CC([NH3+])C1 ZINC000235210603 344846340 /nfs/dbraw/zinc/84/63/40/344846340.db2.gz SEDHUHQWOSXBCL-ZCFIWIBFSA-N 1 0 216.737 2.105 10 0 BEAERO C[NH2+]Cc1cnc(NC2CC2)c(Cl)c1 ZINC000166350651 344870773 /nfs/dbraw/zinc/87/07/73/344870773.db2.gz YZZNZDAIYCQRSP-UHFFFAOYSA-N 1 0 211.696 2.029 10 0 BEAERO C[C@@H]1SCC[C@]12[NH2+]C[C@@H](C)CS2 ZINC000235326952 344884325 /nfs/dbraw/zinc/88/43/25/344884325.db2.gz FSLFRPLVDASOLK-HRDYMLBCSA-N 1 0 203.376 2.181 10 0 BEAERO C[NH+](C)CC[C@]1(C)NCCc2ccsc21 ZINC000715208986 537868935 /nfs/dbraw/zinc/86/89/35/537868935.db2.gz RBCIBWUOSNVAIA-LBPRGKRZSA-N 1 0 224.373 2.061 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Sc2ncc[nH]2)C1 ZINC000235336056 344887518 /nfs/dbraw/zinc/88/75/18/344887518.db2.gz TYNRQNVKWNGNTK-HLTSFMKQSA-N 1 0 211.334 2.018 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH+]2CCC(=O)CC2)C1 ZINC000235339954 344887680 /nfs/dbraw/zinc/88/76/80/344887680.db2.gz FVEYWUUVLZVRRH-NEPJUHHUSA-N 1 0 209.333 2.478 10 0 BEAERO C[C@@H]1SCC[C@@]12[NH2+]C(C)(C)CS2 ZINC000235363194 344894415 /nfs/dbraw/zinc/89/44/15/344894415.db2.gz NPAFOKYPBICJCG-CBAPKCEASA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H](CO)[C@H]([NH3+])c1cccc(Br)c1 ZINC000235475798 344923320 /nfs/dbraw/zinc/92/33/20/344923320.db2.gz HOKFCBKJIMACPH-XCBNKYQSSA-N 1 0 244.132 2.077 10 0 BEAERO CC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000121285172 187295828 /nfs/dbraw/zinc/29/58/28/187295828.db2.gz DMPPCQBRVBFLNM-NSHDSACASA-N 1 0 221.300 2.364 10 0 BEAERO C[C@H](C[NH3+])Nc1c(F)cc(F)cc1Cl ZINC000235464615 344921208 /nfs/dbraw/zinc/92/12/08/344921208.db2.gz AHQPOJLMCIPMCQ-RXMQYKEDSA-N 1 0 220.650 2.377 10 0 BEAERO O[C@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000033856651 344978662 /nfs/dbraw/zinc/97/86/62/344978662.db2.gz VTDDGZREKRAICG-SNVBAGLBSA-N 1 0 232.110 2.174 10 0 BEAERO [NH3+][C@H](CCO)c1ccccc1C(F)(F)F ZINC000044232189 344988288 /nfs/dbraw/zinc/98/82/88/344988288.db2.gz SZDSETNDCNRZBB-SECBINFHSA-N 1 0 219.206 2.088 10 0 BEAERO [NH3+][C@@H](CCO)c1cc(C(F)(F)F)ccc1F ZINC000044233039 344988448 /nfs/dbraw/zinc/98/84/48/344988448.db2.gz DYDIKPRGOWETNN-VIFPVBQESA-N 1 0 237.196 2.227 10 0 BEAERO C[C@@H](NC(=O)[C@H]([NH3+])C(C)(C)C)c1ccccc1 ZINC000123313834 344993856 /nfs/dbraw/zinc/99/38/56/344993856.db2.gz BJXXSMAVTUBLGM-PWSUYJOCSA-N 1 0 234.343 2.237 10 0 BEAERO CC[NH2+][C@@H](C)c1cn(Cc2ccc(F)cc2)nn1 ZINC000385653443 345019290 /nfs/dbraw/zinc/01/92/90/345019290.db2.gz BBLGBMYTXAJVGX-JTQLQIEISA-N 1 0 248.305 2.136 10 0 BEAERO Cc1ccc(OC[C@@H]2CCC[NH2+]2)cc1C ZINC000020221585 178813470 /nfs/dbraw/zinc/81/34/70/178813470.db2.gz SOWNGAJTEBNNPO-LBPRGKRZSA-N 1 0 205.301 2.434 10 0 BEAERO Cc1cc(C)n(C[C@H]([NH3+])c2ccc(F)cc2)n1 ZINC000011849813 345032482 /nfs/dbraw/zinc/03/24/82/345032482.db2.gz IMWRALBWCZTLOA-ZDUSSCGKSA-N 1 0 233.290 2.339 10 0 BEAERO Cc1cc(C)nc(Oc2ccc(CC[NH3+])cc2)n1 ZINC000011849373 345032883 /nfs/dbraw/zinc/03/28/83/345032883.db2.gz QIXQOBRMTSSFEK-UHFFFAOYSA-N 1 0 243.310 2.387 10 0 BEAERO C[C@H](c1ccc[nH]1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000248090052 345036882 /nfs/dbraw/zinc/03/68/82/345036882.db2.gz VCPXFGBDYUXQGH-VXGBXAGGSA-N 1 0 221.348 2.150 10 0 BEAERO C[C@H](C[NH3+])c1nc(-c2ccc[nH]2)cs1 ZINC000011887293 345053433 /nfs/dbraw/zinc/05/34/33/345053433.db2.gz ANDXUVAFKNCSLM-SSDOTTSWSA-N 1 0 207.302 2.200 10 0 BEAERO Cc1cc(C2([NH3+])CC2)ncc1Br ZINC000238516799 345068432 /nfs/dbraw/zinc/06/84/32/345068432.db2.gz XQNHIAGGNCJEGA-UHFFFAOYSA-N 1 0 227.105 2.100 10 0 BEAERO [NH3+]C1(c2cc(F)c(F)c(F)c2)CCC1 ZINC000238561162 345077283 /nfs/dbraw/zinc/07/72/83/345077283.db2.gz INNXKMHLGLAEDB-UHFFFAOYSA-N 1 0 201.191 2.442 10 0 BEAERO CC(C)CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155402043 345079258 /nfs/dbraw/zinc/07/92/58/345079258.db2.gz XJCIKKGYAVTUPL-OLZOCXBDSA-N 1 0 240.391 2.268 10 0 BEAERO Cc1ccc(Oc2ccc(C[NH3+])nn2)cc1 ZINC000051545243 178820066 /nfs/dbraw/zinc/82/00/66/178820066.db2.gz SGBDGODAKVRVQE-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO CS[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162593378 345080496 /nfs/dbraw/zinc/08/04/96/345080496.db2.gz RVZMPJREYOWZRP-MMWGEVLESA-N 1 0 229.389 2.141 10 0 BEAERO CC(C)C[NH2+]C[C@H](O)CO[C@H]1CCC[C@H](C)C1 ZINC000248266548 345097498 /nfs/dbraw/zinc/09/74/98/345097498.db2.gz YALLUAIJXIJKPE-IHRRRGAJSA-N 1 0 243.391 2.188 10 0 BEAERO [NH3+]Cc1cc(C(F)F)cc(C(F)F)n1 ZINC000238643296 345100142 /nfs/dbraw/zinc/10/01/42/345100142.db2.gz FRDYWJSJLCMAMG-UHFFFAOYSA-N 1 0 208.158 2.416 10 0 BEAERO [NH3+]Cc1cc(Cl)cnc1C(F)(F)F ZINC000238656751 345102654 /nfs/dbraw/zinc/10/26/54/345102654.db2.gz NOQMUCNUIAOIJI-UHFFFAOYSA-N 1 0 210.586 2.213 10 0 BEAERO [NH3+]Cc1ccnc(OC(F)(F)F)c1Cl ZINC000238690658 345112875 /nfs/dbraw/zinc/11/28/75/345112875.db2.gz VBROEJNFMOIMQM-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(N)cc(Cl)c1 ZINC000148031687 345194489 /nfs/dbraw/zinc/19/44/89/345194489.db2.gz FDVANGJZRUXAGM-RDDDGLTNSA-N 1 0 210.708 2.420 10 0 BEAERO [NH3+][C@@H]1CCCc2c1ccn2CC(F)F ZINC000148043319 345201287 /nfs/dbraw/zinc/20/12/87/345201287.db2.gz IAPGNPXEUIRKQI-MRVPVSSYSA-N 1 0 200.232 2.089 10 0 BEAERO C[C@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000053881813 1172059985 /nfs/dbraw/zinc/05/99/85/1172059985.db2.gz YUHAFYSBWAPKFC-AVGNSLFASA-N 1 0 211.349 2.269 10 0 BEAERO CCc1nnc(CN2CCC[C@@H]2c2ccco2)[nH]1 ZINC000158588794 345352938 /nfs/dbraw/zinc/35/29/38/345352938.db2.gz HABMVUJNLOTNSY-SNVBAGLBSA-N 1 0 246.314 2.297 10 0 BEAERO Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2CO)n1 ZINC000164267895 187302578 /nfs/dbraw/zinc/30/25/78/187302578.db2.gz WBUPVUASEKFPGM-GHMZBOCLSA-N 1 0 240.372 2.092 10 0 BEAERO C[C@@H]1CCC[C@@H]([C@@H]([NH3+])c2cnsn2)C1 ZINC000229060510 345433438 /nfs/dbraw/zinc/43/34/38/345433438.db2.gz UGMGHRWZFLFDBR-NQMVMOMDSA-N 1 0 211.334 2.364 10 0 BEAERO Cc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000071510669 178867836 /nfs/dbraw/zinc/86/78/36/178867836.db2.gz JWKRVXQHNUPVLP-QWHCGFSZSA-N 1 0 207.317 2.320 10 0 BEAERO COc1cc(F)cc(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000090972460 345578288 /nfs/dbraw/zinc/57/82/88/345578288.db2.gz NXJDRRJQMISCNV-NOZJJQNGSA-N 1 0 239.290 2.101 10 0 BEAERO C/C=C/C=C/C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000176984798 187306838 /nfs/dbraw/zinc/30/68/38/187306838.db2.gz ZJLALANTRJYGGM-MFSOVSGCSA-N 1 0 236.359 2.061 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091525874 345596702 /nfs/dbraw/zinc/59/67/02/345596702.db2.gz SJJLPRAMFOWUBN-LKSINWNRSA-N 1 0 219.328 2.417 10 0 BEAERO O=C1CCC[C@H]1[NH+]1Cc2ccccc2C1 ZINC000050911712 345626355 /nfs/dbraw/zinc/62/63/55/345626355.db2.gz LCHOAGRNNDPNRD-GFCCVEGCSA-N 1 0 201.269 2.124 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)CC[NH2+]C(C)C)o1 ZINC000037618561 178885798 /nfs/dbraw/zinc/88/57/98/178885798.db2.gz LDHYDODHABMXEC-NSHDSACASA-N 1 0 238.331 2.153 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000309541175 187308782 /nfs/dbraw/zinc/30/87/82/187308782.db2.gz DVWQVXCHOOBLHI-RYUDHWBXSA-N 1 0 221.348 2.395 10 0 BEAERO CC(C)[N@@H+](Cc1nc2ccccc2o1)C[C@@H](C)O ZINC000107044085 187308874 /nfs/dbraw/zinc/30/88/74/187308874.db2.gz JFRMSIOMSTVQNM-LLVKDONJSA-N 1 0 248.326 2.419 10 0 BEAERO COc1ccc([C@H](C)C[NH2+]C2(CO)CCC2)cc1 ZINC000180222410 187308077 /nfs/dbraw/zinc/30/80/77/187308077.db2.gz JJVJTJHCWBLTDB-GFCCVEGCSA-N 1 0 249.354 2.303 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)OCc1ccccc1 ZINC000137701590 345680710 /nfs/dbraw/zinc/68/07/10/345680710.db2.gz XBTODGBQDPOCOH-UHFFFAOYSA-N 1 0 235.327 2.495 10 0 BEAERO C[C@H](c1ccccn1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000253612722 345692997 /nfs/dbraw/zinc/69/29/97/345692997.db2.gz CWLSWRDMSDFMJF-CHWSQXEVSA-N 1 0 233.359 2.217 10 0 BEAERO CCOC(=O)C1(C2CC[NH2+]CC2)CCCC1 ZINC000088248146 345751656 /nfs/dbraw/zinc/75/16/56/345751656.db2.gz NPHXBWOWMHQCHB-UHFFFAOYSA-N 1 0 225.332 2.110 10 0 BEAERO CC[NH+](CC)CCOc1cccc(N(C)C)c1 ZINC000088342858 345752090 /nfs/dbraw/zinc/75/20/90/345752090.db2.gz REDCQWYYOFCVAG-UHFFFAOYSA-N 1 0 236.359 2.473 10 0 BEAERO NC(=O)O[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000113415232 345754499 /nfs/dbraw/zinc/75/44/99/345754499.db2.gz MBJQWYMUCUTIND-ZETCQYMHSA-N 1 0 249.097 2.089 10 0 BEAERO COc1ccc([C@@H]2[NH2+]C[C@@H](C)S2)cc1 ZINC000033878029 345704160 /nfs/dbraw/zinc/70/41/60/345704160.db2.gz CUYFTBAWLQPXHY-LDYMZIIASA-N 1 0 209.314 2.419 10 0 BEAERO COc1ccc([C@H]2[NH2+]C[C@@H](C)S2)cc1 ZINC000033878027 345704555 /nfs/dbraw/zinc/70/45/55/345704555.db2.gz CUYFTBAWLQPXHY-KCJUWKMLSA-N 1 0 209.314 2.419 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]2C1 ZINC000143739361 345707566 /nfs/dbraw/zinc/70/75/66/345707566.db2.gz UURMUTBKRZANQD-ARFHVFGLSA-N 1 0 245.366 2.322 10 0 BEAERO O=C1Nc2ccccc2[C@H]1C[C@H]1CCC[NH2+]C1 ZINC000214056655 345711664 /nfs/dbraw/zinc/71/16/64/345711664.db2.gz VLHPOKVWDSCPNN-ZYHUDNBSSA-N 1 0 230.311 2.112 10 0 BEAERO [NH3+]CCCNc1ccc2ccc(F)cc2n1 ZINC000212275433 345726796 /nfs/dbraw/zinc/72/67/96/345726796.db2.gz FANXPANPYDJZGH-UHFFFAOYSA-N 1 0 219.263 2.135 10 0 BEAERO O[C@@H]1c2ccccc2C[C@@H]1C[C@@H]1CCCC[NH2+]1 ZINC000033641717 345807149 /nfs/dbraw/zinc/80/71/49/345807149.db2.gz NSKQZYPQQYYWJR-IPYPFGDCSA-N 1 0 231.339 2.425 10 0 BEAERO CC[C@@H](C1=[NH+]CCN1)c1ccc(C)cc1 ZINC000114912600 345807533 /nfs/dbraw/zinc/80/75/33/345807533.db2.gz KQSNSPDGIFHDEL-GFCCVEGCSA-N 1 0 202.301 2.490 10 0 BEAERO Cc1cc(OCC[NH+](C)C)nc2ccc(N)cc12 ZINC000168817478 345823077 /nfs/dbraw/zinc/82/30/77/345823077.db2.gz CUDXCYLNEVLNHM-UHFFFAOYSA-N 1 0 245.326 2.066 10 0 BEAERO COc1ccccc1C[C@H]1[NH2+]CCC(=O)C1(C)C ZINC000034397838 345824361 /nfs/dbraw/zinc/82/43/61/345824361.db2.gz SFRLBDFHRVVIRX-CYBMUJFWSA-N 1 0 247.338 2.195 10 0 BEAERO Cc1cc(=O)oc2cc(OCC[NH+](C)C)ccc12 ZINC000033823934 345815445 /nfs/dbraw/zinc/81/54/45/345815445.db2.gz RXAYKJUYAHXQBL-UHFFFAOYSA-N 1 0 247.294 2.042 10 0 BEAERO O=C1CC[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C1 ZINC000034234384 345819629 /nfs/dbraw/zinc/81/96/29/345819629.db2.gz AYJFKSDLUFEFNQ-WCQYABFASA-N 1 0 233.286 2.347 10 0 BEAERO [NH3+][C@H]1CC[C@H](Nc2nc3ccccc3[nH]2)CC1 ZINC000257353930 345774540 /nfs/dbraw/zinc/77/45/40/345774540.db2.gz URLZDCSCQXVPAJ-MGCOHNPYSA-N 1 0 230.315 2.245 10 0 BEAERO CCCCOC[C@H](O)C[N@H+]1[C@H](CC)CC[C@@H]1C ZINC000300296072 345778291 /nfs/dbraw/zinc/77/82/91/345778291.db2.gz VKZSIMGZJSATSN-BFHYXJOUSA-N 1 0 243.391 2.427 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1c1noc(-c2cccs2)n1 ZINC000257593117 345781061 /nfs/dbraw/zinc/78/10/61/345781061.db2.gz AFTBGKZVVZUXCY-JGVFFNPUSA-N 1 0 235.312 2.393 10 0 BEAERO C1C[NH2+][C@H](c2nc(C3CCSCC3)no2)C1 ZINC000258886648 345786844 /nfs/dbraw/zinc/78/68/44/345786844.db2.gz NOIIJRSIDFPTSU-VIFPVBQESA-N 1 0 239.344 2.105 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](c2csc(Cl)c2)O1 ZINC000235719822 345793743 /nfs/dbraw/zinc/79/37/43/345793743.db2.gz DNKSKKOOUVBFHE-POYBYMJQSA-N 1 0 217.721 2.451 10 0 BEAERO Cc1nc(C)n([C@H](c2ccc(C)cc2)[C@@H](C)[NH3+])n1 ZINC000042910269 178918081 /nfs/dbraw/zinc/91/80/81/178918081.db2.gz FNACDZXLSKROCJ-YGRLFVJLSA-N 1 0 244.342 2.140 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000074010474 537911730 /nfs/dbraw/zinc/91/17/30/537911730.db2.gz FHNAWGIPICODMB-VXGBXAGGSA-N 1 0 224.735 2.434 10 0 BEAERO CCc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1CO ZINC000309502327 347088246 /nfs/dbraw/zinc/08/82/46/347088246.db2.gz ADOMBFQYUSHZOD-GXFFZTMASA-N 1 0 239.746 2.373 10 0 BEAERO O=Cc1ccc2c(c1)CC[N@H+](C1CCC1)CC2 ZINC000142294266 345862333 /nfs/dbraw/zinc/86/23/33/345862333.db2.gz ZQTGGWZQYFYTKJ-UHFFFAOYSA-N 1 0 229.323 2.452 10 0 BEAERO Cc1ccc([C@H]2Cc3c(cnn3C)[C@@H]([NH3+])C2)cc1 ZINC000072415877 178923267 /nfs/dbraw/zinc/92/32/67/178923267.db2.gz YXSDNCHRDJUHGA-OCCSQVGLSA-N 1 0 241.338 2.458 10 0 BEAERO Cc1ccc2c(c1)C=C(C[C@@H]([NH3+])CN)CC2 ZINC000034482117 345835194 /nfs/dbraw/zinc/83/51/94/345835194.db2.gz PTMQQFIDAOXRNJ-CQSZACIVSA-N 1 0 216.328 2.001 10 0 BEAERO CCC[C@H](CC)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000310004483 187311077 /nfs/dbraw/zinc/31/10/77/187311077.db2.gz GBHIHTKMGBIXKU-QWRGUYRKSA-N 1 0 226.364 2.212 10 0 BEAERO CC(C)(C[NH3+])[C@H](O)c1ccsc1Cl ZINC000307037480 537920747 /nfs/dbraw/zinc/92/07/47/537920747.db2.gz YTMGNIUFZSXCLF-SSDOTTSWSA-N 1 0 219.737 2.420 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000252424576 345899572 /nfs/dbraw/zinc/89/95/72/345899572.db2.gz IBXKFVJUCBWJGV-OWCLPIDISA-N 1 0 245.366 2.437 10 0 BEAERO COCC[C@@]1(C)[NH2+]CCc2sccc21 ZINC000307415909 537921990 /nfs/dbraw/zinc/92/19/90/537921990.db2.gz NEIVAUCVNFQQSD-LLVKDONJSA-N 1 0 211.330 2.146 10 0 BEAERO C[C@@H](c1cccs1)N1CC[NH2+][C@H](C)C1 ZINC000083061488 345914091 /nfs/dbraw/zinc/91/40/91/345914091.db2.gz DGDZSAJTUFJHIH-ZJUUUORDSA-N 1 0 210.346 2.103 10 0 BEAERO OCCC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000400943100 345931864 /nfs/dbraw/zinc/93/18/64/345931864.db2.gz BZGHOHFKAYBWQK-HNNXBMFYSA-N 1 0 245.366 2.421 10 0 BEAERO CCCNc1cc(NC)[nH+]c(C2CC2)n1 ZINC000087908914 345939823 /nfs/dbraw/zinc/93/98/23/345939823.db2.gz VXSQPLJIQDBIEE-UHFFFAOYSA-N 1 0 206.293 2.218 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@H]1CCCO1 ZINC000307642588 537924565 /nfs/dbraw/zinc/92/45/65/537924565.db2.gz MCDOPERHCKBCMQ-KOLCDFICSA-N 1 0 209.314 2.114 10 0 BEAERO CC(C)(C)Sc1ccnc(C(N)=[NH2+])c1 ZINC000061814707 345951826 /nfs/dbraw/zinc/95/18/26/345951826.db2.gz HGPXRZZPXKVZDP-UHFFFAOYSA-N 1 0 209.318 2.256 10 0 BEAERO C1=C(CC[NH2+]Cc2cncnc2)CCC1 ZINC000120140767 187313710 /nfs/dbraw/zinc/31/37/10/187313710.db2.gz GRFZJZDEQRUBLF-UHFFFAOYSA-N 1 0 203.289 2.067 10 0 BEAERO C[C@H](c1ccco1)[N@@H+]1CCC[C@H](CO)C1 ZINC000095089078 346025024 /nfs/dbraw/zinc/02/50/24/346025024.db2.gz NCWYDXBZXZRAQK-MNOVXSKESA-N 1 0 209.289 2.045 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000300313012 346025138 /nfs/dbraw/zinc/02/51/38/346025138.db2.gz WCLCKNKWHYJDBJ-BFHYXJOUSA-N 1 0 243.391 2.190 10 0 BEAERO CC(C)Oc1ccc2c(c1)[C@@H]([NH3+])CCO2 ZINC000095638963 346079636 /nfs/dbraw/zinc/07/96/36/346079636.db2.gz FCWIFSSPWUUOEA-NSHDSACASA-N 1 0 207.273 2.256 10 0 BEAERO C[NH2+][C@@H]1COc2cc(Br)c(F)cc21 ZINC000149085910 346082999 /nfs/dbraw/zinc/08/29/99/346082999.db2.gz LZKMFGAPFDKUBV-MRVPVSSYSA-N 1 0 246.079 2.241 10 0 BEAERO C[C@@H]1Oc2cc(F)c(Br)cc2[C@@H]1[NH3+] ZINC000148401337 346087732 /nfs/dbraw/zinc/08/77/32/346087732.db2.gz FPSKEIWZXGUYPV-AJAUBTJJSA-N 1 0 246.079 2.369 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CC)CC(C)C ZINC000193246752 187315195 /nfs/dbraw/zinc/31/51/95/187315195.db2.gz NERUXGBQOMCIEN-CYBMUJFWSA-N 1 0 231.380 2.142 10 0 BEAERO Cc1ccc2cc(NCCC[NH3+])ccc2n1 ZINC000039109619 178969411 /nfs/dbraw/zinc/96/94/11/178969411.db2.gz WNLOIRKWPKOWGD-UHFFFAOYSA-N 1 0 215.300 2.304 10 0 BEAERO CC[NH+](CC)CCCNc1ccnc(Cl)n1 ZINC000051849399 346147706 /nfs/dbraw/zinc/14/77/06/346147706.db2.gz FJGNUZIEXMNLKZ-UHFFFAOYSA-N 1 0 242.754 2.274 10 0 BEAERO [NH3+]C[C@@H]1C[C@@H]1c1occc1Br ZINC000236174390 346205254 /nfs/dbraw/zinc/20/52/54/346205254.db2.gz KQAFPSZFZVHUBX-WDSKDSINSA-N 1 0 216.078 2.104 10 0 BEAERO C[C@H](c1cccc(Cl)c1)N(C)C(N)=[NH2+] ZINC000062013093 346190921 /nfs/dbraw/zinc/19/09/21/346190921.db2.gz MZMBDQBJHCNSFC-SSDOTTSWSA-N 1 0 211.696 2.226 10 0 BEAERO CCCC[P@](=O)(CCC[NH3+])OCC ZINC000034061704 346192601 /nfs/dbraw/zinc/19/26/01/346192601.db2.gz QBIGZUJYFZQPBX-CYBMUJFWSA-N 1 0 207.254 2.450 10 0 BEAERO Cc1cccc(C(=O)N(CC[NH3+])C(C)C)c1C ZINC000041160388 179006275 /nfs/dbraw/zinc/00/62/75/179006275.db2.gz HDXHZWHUDSGOBD-UHFFFAOYSA-N 1 0 234.343 2.113 10 0 BEAERO [NH3+]C1CC(=Cc2ccc(Br)cn2)C1 ZINC000236276532 346218230 /nfs/dbraw/zinc/21/82/30/346218230.db2.gz NDYOFWDELONOIS-UHFFFAOYSA-N 1 0 239.116 2.349 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1ccc(F)cc1Br ZINC000236307985 346223988 /nfs/dbraw/zinc/22/39/88/346223988.db2.gz PROLMMOPEODFKB-IONNQARKSA-N 1 0 230.080 2.403 10 0 BEAERO [NH3+][C@@H](CC1OCCO1)c1ccccc1Cl ZINC000236303503 346225226 /nfs/dbraw/zinc/22/52/26/346225226.db2.gz QNPWTWHCTHHNRG-JTQLQIEISA-N 1 0 227.691 2.103 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1ccc(F)cc1Cl ZINC000236328553 346226157 /nfs/dbraw/zinc/22/61/57/346226157.db2.gz JHKOGBALQCNGGV-VHSXEESVSA-N 1 0 215.655 2.268 10 0 BEAERO C[N@@H+]1CCC[C@@H](CNc2ccccc2)C1 ZINC000054239492 187317693 /nfs/dbraw/zinc/31/76/93/187317693.db2.gz CLVOTDVSQGAZJJ-LBPRGKRZSA-N 1 0 204.317 2.440 10 0 BEAERO Cc1ccncc1-c1nc(CC[NH3+])cs1 ZINC000083349959 187319017 /nfs/dbraw/zinc/31/90/17/187319017.db2.gz GHGAZWRIESKVDM-UHFFFAOYSA-N 1 0 219.313 2.015 10 0 BEAERO CC[C@H](CSC)[NH2+]Cc1ncnn1C(C)C ZINC000217329787 346299572 /nfs/dbraw/zinc/29/95/72/346299572.db2.gz IRXIROIMAXLEJI-SNVBAGLBSA-N 1 0 242.392 2.090 10 0 BEAERO Cc1cccc(C(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000041211903 179026862 /nfs/dbraw/zinc/02/68/62/179026862.db2.gz YAKRKAJLVADVGA-LBPRGKRZSA-N 1 0 203.285 2.177 10 0 BEAERO Cc1cccc(C)c1OCC[NH2+]C[C@H]1CCOC1 ZINC000053564294 179046342 /nfs/dbraw/zinc/04/63/42/179046342.db2.gz XUPGHRZCQMMFOK-CQSZACIVSA-N 1 0 249.354 2.308 10 0 BEAERO C(c1noc([C@]23C[NH2+]C[C@@H]2CCCC3)n1)C1CC1 ZINC000333944649 187366223 /nfs/dbraw/zinc/36/62/23/187366223.db2.gz SEDAKRKPSFVDDI-SMDDNHRTSA-N 1 0 247.342 2.053 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000052761998 346373295 /nfs/dbraw/zinc/37/32/95/346373295.db2.gz FUIPJLAPXUKRHH-NSHDSACASA-N 1 0 209.289 2.017 10 0 BEAERO Cc1cccc(CN(C)C(=O)[C@@](C)([NH3+])C2CC2)c1 ZINC000037807919 179063933 /nfs/dbraw/zinc/06/39/33/179063933.db2.gz NIJABDKSIXYGEO-HNNXBMFYSA-N 1 0 246.354 2.081 10 0 BEAERO Cc1cccc(CN(C)C(C)(C)C[NH3+])c1 ZINC000020226813 179064194 /nfs/dbraw/zinc/06/41/94/179064194.db2.gz XSKJCEODTWFUBP-UHFFFAOYSA-N 1 0 206.333 2.164 10 0 BEAERO Cc1cccc(CC[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000051669081 179059469 /nfs/dbraw/zinc/05/94/69/179059469.db2.gz CAFQTTNWJHXKFL-INIZCTEOSA-N 1 0 244.382 2.221 10 0 BEAERO Cc1cccc(CN(C)CC[NH2+]C(C)C)c1 ZINC000042307302 179066668 /nfs/dbraw/zinc/06/66/68/179066668.db2.gz HMNCTQPGRPPPNV-UHFFFAOYSA-N 1 0 220.360 2.425 10 0 BEAERO CCN(C)CC[NH2+]Cc1ccc(F)cc1C ZINC000054110524 1172085188 /nfs/dbraw/zinc/08/51/88/1172085188.db2.gz YEDDVYDTMYOKPN-UHFFFAOYSA-N 1 0 224.323 2.175 10 0 BEAERO Cc1cccc(C[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000035255395 179091117 /nfs/dbraw/zinc/09/11/17/179091117.db2.gz DSAHWUNDAYMEFA-UHFFFAOYSA-N 1 0 246.354 2.129 10 0 BEAERO CCC(CC)[NH2+][C@H]1C[C@H]2CCCCN2C1 ZINC000725241906 537981204 /nfs/dbraw/zinc/98/12/04/537981204.db2.gz VTTKHQBNQVMILI-QWHCGFSZSA-N 1 0 210.365 2.391 10 0 BEAERO CCC(F)(F)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000641799314 362748215 /nfs/dbraw/zinc/74/82/15/362748215.db2.gz TZQPVSXSCIFJRE-JTQLQIEISA-N 1 0 220.307 2.106 10 0 BEAERO Cc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1C ZINC000375769175 179093449 /nfs/dbraw/zinc/09/34/49/179093449.db2.gz PNSFJUXUSBUOMO-QKDCVEJESA-N 1 0 231.339 2.285 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1C(C)(C)C ZINC000725241770 537981419 /nfs/dbraw/zinc/98/14/19/537981419.db2.gz PHZBDKVALWOEDK-VHSXEESVSA-N 1 0 227.348 2.210 10 0 BEAERO CCOC(=O)C[C@H](CC)[NH+]1CCC(C)CC1 ZINC000148872217 346473617 /nfs/dbraw/zinc/47/36/17/346473617.db2.gz OWCQHGHUWSGNJT-LBPRGKRZSA-N 1 0 227.348 2.450 10 0 BEAERO Cc1cccc(C[NH2+]Cc2cnccn2)c1 ZINC000054765636 179095760 /nfs/dbraw/zinc/09/57/60/179095760.db2.gz NYNHIFHIDSVACO-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO Cc1cccc(C[NH2+]Cc2cn[nH]c2)c1C ZINC000043314242 179095784 /nfs/dbraw/zinc/09/57/84/179095784.db2.gz JEMDBQRCJRZYTH-UHFFFAOYSA-N 1 0 215.300 2.316 10 0 BEAERO Cc1cccc(C[NH2+]Cc2ccncc2)n1 ZINC000048329739 179096756 /nfs/dbraw/zinc/09/67/56/179096756.db2.gz ZRRSBMBHECPHLR-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]1Cc1cncc(Br)c1 ZINC000161918420 346502687 /nfs/dbraw/zinc/50/26/87/346502687.db2.gz HGMLLROEXAURPJ-PSASIEDQSA-N 1 0 241.132 2.124 10 0 BEAERO Cc1cccc(C[C@](C)(O)[C@H]2CCC[NH2+]C2)c1 ZINC000104120962 179106708 /nfs/dbraw/zinc/10/67/08/179106708.db2.gz UXALIBDFYXRQEX-GJZGRUSLSA-N 1 0 233.355 2.288 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]CC2CC(O)C2)[C@@H](C)C1 ZINC000227793051 346507635 /nfs/dbraw/zinc/50/76/35/346507635.db2.gz DLWVMQLWJSFYKP-QUANKSPYSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CN3CCC2CC3)c1C ZINC000043304756 179099983 /nfs/dbraw/zinc/09/99/83/179099983.db2.gz LEOKGPOVQFOXHX-MRXNPFEDSA-N 1 0 244.382 2.487 10 0 BEAERO CCCCN(C[C@@H](C)[NH3+])C(=O)OC(C)(C)C ZINC000216049301 349971095 /nfs/dbraw/zinc/97/10/95/349971095.db2.gz NKRDLDLLGRTYIR-SNVBAGLBSA-N 1 0 230.352 2.371 10 0 BEAERO Cc1cccc(C[C@@]2(C[NH3+])CCCOC2)c1 ZINC000062193159 179104492 /nfs/dbraw/zinc/10/44/92/179104492.db2.gz CSAWJRAEVSHMQP-CQSZACIVSA-N 1 0 219.328 2.293 10 0 BEAERO C[C@H](c1nc([C@@H]2CC[NH2+]C2)no1)C(C)(C)C ZINC000669379809 537983196 /nfs/dbraw/zinc/98/31/96/537983196.db2.gz HAHZUNPQFXCJID-RKDXNWHRSA-N 1 0 223.320 2.296 10 0 BEAERO Cc1cccc(I)c1C[NH3+] ZINC000098096517 179111631 /nfs/dbraw/zinc/11/16/31/179111631.db2.gz PISOXOWPVUUWAH-UHFFFAOYSA-N 1 0 247.079 2.058 10 0 BEAERO CC(C)(O)C[NH+]1CCC(c2nccs2)CC1 ZINC000336553166 187369398 /nfs/dbraw/zinc/36/93/98/187369398.db2.gz ACRJYVGJOIAUBI-UHFFFAOYSA-N 1 0 240.372 2.093 10 0 BEAERO COC[C@H]([NH3+])[C@@H]1CCCc2sccc21 ZINC000164296078 346599128 /nfs/dbraw/zinc/59/91/28/346599128.db2.gz VCCAVKRUWYFPMA-SCZZXKLOSA-N 1 0 211.330 2.142 10 0 BEAERO COC1CCC2(CC1)[NH2+][C@H](C)CCS2 ZINC000164327249 346600431 /nfs/dbraw/zinc/60/04/31/346600431.db2.gz XHVAOUZLOQFAKR-KPPDAEKUSA-N 1 0 215.362 2.387 10 0 BEAERO COC1CCC2(CC1)[NH2+]C(C)(C)CS2 ZINC000164328199 346601499 /nfs/dbraw/zinc/60/14/99/346601499.db2.gz TTWCQMOKHHWCRM-UHFFFAOYSA-N 1 0 215.362 2.387 10 0 BEAERO COc1cc([C@H]2CCC[C@H](C)[NH2+]2)ccn1 ZINC000725242409 537984626 /nfs/dbraw/zinc/98/46/26/537984626.db2.gz ANKJOFURSWKHAT-GXSJLCMTSA-N 1 0 206.289 2.293 10 0 BEAERO Cc1c(F)c(Cl)nc(Cl)c1C[NH3+] ZINC000585681348 346653654 /nfs/dbraw/zinc/65/36/54/346653654.db2.gz QKACLJCNANXFQR-UHFFFAOYSA-N 1 0 209.051 2.295 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncnc2sccc21 ZINC000165730334 346657282 /nfs/dbraw/zinc/65/72/82/346657282.db2.gz JZWYWPKGPNKIKS-SFYZADRCSA-N 1 0 236.344 2.229 10 0 BEAERO CCC[C@H](C)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242751 537985652 /nfs/dbraw/zinc/98/56/52/537985652.db2.gz QAWMGLHVVCDMLS-GXSJLCMTSA-N 1 0 207.321 2.043 10 0 BEAERO Cc1cc(F)ccc1C(=O)[C@@H]([NH3+])C(C)C ZINC000167824515 346718946 /nfs/dbraw/zinc/71/89/46/346718946.db2.gz XNXFMKKWABGHOE-NSHDSACASA-N 1 0 209.264 2.300 10 0 BEAERO Cc1cccc(NC(=O)[C@](C)([NH3+])C2CC2)c1C ZINC000037614344 179141938 /nfs/dbraw/zinc/14/19/38/179141938.db2.gz GACBXZOXPQUTFV-CQSZACIVSA-N 1 0 232.327 2.369 10 0 BEAERO Cc1cccc(NCCN2CC[N@H+](C)[C@H](C)C2)c1 ZINC000104135102 179144924 /nfs/dbraw/zinc/14/49/24/179144924.db2.gz ZIDSWVIYCOJKPJ-CQSZACIVSA-N 1 0 247.386 2.043 10 0 BEAERO Cc1cccc(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000038051140 179157647 /nfs/dbraw/zinc/15/76/47/179157647.db2.gz VWAAFHGBCXJUPN-MNOVXSKESA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cccc(N[C@H]2CCC[NH2+]C2)c1C ZINC000034475170 179157728 /nfs/dbraw/zinc/15/77/28/179157728.db2.gz RKJYKVWSSDQQNI-LBPRGKRZSA-N 1 0 204.317 2.467 10 0 BEAERO CCC(C)(C)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242559 537986308 /nfs/dbraw/zinc/98/63/08/537986308.db2.gz GAWOQLSATUJGKS-LLVKDONJSA-N 1 0 207.321 2.043 10 0 BEAERO Cc1cccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000335040246 179152938 /nfs/dbraw/zinc/15/29/38/179152938.db2.gz DCXUULIHJWOMAV-NWDGAFQWSA-N 1 0 204.317 2.405 10 0 BEAERO CCN1CC[C@@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319434308 259393880 /nfs/dbraw/zinc/39/38/80/259393880.db2.gz KMTHEZWMSXPDCT-CYBMUJFWSA-N 1 0 240.391 2.020 10 0 BEAERO Cc1cccc(OCCC[NH+]2CCCC2)c1N ZINC000049331668 179164595 /nfs/dbraw/zinc/16/45/95/179164595.db2.gz SOZUWXOWUCGOFS-UHFFFAOYSA-N 1 0 234.343 2.442 10 0 BEAERO Cc1cccc(OCC[N@@H+](C)CC2CC(O)C2)c1 ZINC000091499331 179166982 /nfs/dbraw/zinc/16/69/82/179166982.db2.gz CDWAGNQHFYSZQP-UHFFFAOYSA-N 1 0 249.354 2.077 10 0 BEAERO Cc1cccc(OCCN(C)[C@H]2CCC[NH2+]C2)c1 ZINC000104360311 179167198 /nfs/dbraw/zinc/16/71/98/179167198.db2.gz NLKMKFJMJXVUNX-AWEZNQCLSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1cccc(OC[C@H]2CC[C@@H](C[NH3+])O2)c1C ZINC000052654706 179172534 /nfs/dbraw/zinc/17/25/34/179172534.db2.gz MOIFLVLYOKYFDF-QWHCGFSZSA-N 1 0 235.327 2.189 10 0 BEAERO Cc1cccc(O[C@H](C[NH3+])C(F)(F)F)c1 ZINC000037169974 179174991 /nfs/dbraw/zinc/17/49/91/179174991.db2.gz DTQWEYHZRRHYPH-SECBINFHSA-N 1 0 219.206 2.263 10 0 BEAERO CC(=O)OC[C@H]1C[N@H+](C)CC[C@@H]1c1ccccc1 ZINC000038676386 347163784 /nfs/dbraw/zinc/16/37/84/347163784.db2.gz BTLNNCJPHFDAJJ-HUUCEWRRSA-N 1 0 247.338 2.285 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])OC[C@H]2CCCO2)c1 ZINC000042968424 179184456 /nfs/dbraw/zinc/18/44/56/179184456.db2.gz IJGHFRHGPQPHHO-ZIAGYGMSSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1cccc([C@@H]([NH3+])c2cnccn2)c1C ZINC000053329512 179186083 /nfs/dbraw/zinc/18/60/83/179186083.db2.gz XMYSGLJHAAJDID-CYBMUJFWSA-N 1 0 213.284 2.142 10 0 BEAERO O=CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038919197 347170555 /nfs/dbraw/zinc/17/05/55/347170555.db2.gz ITFQHJAZKPXJKX-UHFFFAOYSA-N 1 0 246.354 2.035 10 0 BEAERO c1cc2c(o1)[C@]1(C[C@@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000725242871 537987582 /nfs/dbraw/zinc/98/75/82/537987582.db2.gz MGKWTTNDGRCWHT-GMXVVIOVSA-N 1 0 203.285 2.441 10 0 BEAERO Cc1cccc([C@@H](Sc2nc[nH]n2)[C@@H](C)[NH3+])c1 ZINC000042969598 179187701 /nfs/dbraw/zinc/18/77/01/179187701.db2.gz VNVSOOFPYUQQCM-KOLCDFICSA-N 1 0 248.355 2.294 10 0 BEAERO Cc1cccc([C@@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000039105604 179188725 /nfs/dbraw/zinc/18/87/25/179188725.db2.gz PSNUJTQHJWGPKJ-AAEUAGOBSA-N 1 0 207.317 2.415 10 0 BEAERO Cc1cccc([C@@H](OC[C@@H]2CCOC2)[C@@H](C)[NH3+])c1 ZINC000042969474 179189003 /nfs/dbraw/zinc/18/90/03/179189003.db2.gz ULDXXXDOZYAQGM-NFAWXSAZSA-N 1 0 249.354 2.436 10 0 BEAERO O=C1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000725242895 537987959 /nfs/dbraw/zinc/98/79/59/537987959.db2.gz UMKFKBQBJNRVOE-GFCCVEGCSA-N 1 0 221.325 2.232 10 0 BEAERO Cc1cccc([C@](C)(O)C[NH2+]C(C)C)c1 ZINC000055033132 179205102 /nfs/dbraw/zinc/20/51/02/179205102.db2.gz LLMSFIKOPKZLCQ-CYBMUJFWSA-N 1 0 207.317 2.201 10 0 BEAERO CC(C)N1CC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250491726 362806491 /nfs/dbraw/zinc/80/64/91/362806491.db2.gz HGMGTWFYVBZVMA-WDEREUQCSA-N 1 0 210.346 2.231 10 0 BEAERO Cc1cccc([C@H](CO)[NH2+]C(C)C)c1C ZINC000043316140 179200130 /nfs/dbraw/zinc/20/01/30/179200130.db2.gz OXFHQXHLGWXFHF-ZDUSSCGKSA-N 1 0 207.317 2.335 10 0 BEAERO Cc1cccc([C@H]([NH3+])c2cnccn2)c1C ZINC000053329509 179201104 /nfs/dbraw/zinc/20/11/04/179201104.db2.gz XMYSGLJHAAJDID-ZDUSSCGKSA-N 1 0 213.284 2.142 10 0 BEAERO Cc1cccc([C@H]([C@H](C)[NH3+])n2ccnc2)c1 ZINC000042967746 179203410 /nfs/dbraw/zinc/20/34/10/179203410.db2.gz NBIAEIWHRBCQGN-AAEUAGOBSA-N 1 0 215.300 2.128 10 0 BEAERO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCO[C@H](C)C2)c1 ZINC000042965446 179203832 /nfs/dbraw/zinc/20/38/32/179203832.db2.gz IOXQMUKTAQNNSP-IPYPFGDCSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1cccc2c(NC[C@H](C)O)cc[nH+]c12 ZINC000120187814 179212574 /nfs/dbraw/zinc/21/25/74/179212574.db2.gz ZZLVRMMUDNLRJH-JTQLQIEISA-N 1 0 216.284 2.336 10 0 BEAERO CC1(C)C[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000333318868 537988805 /nfs/dbraw/zinc/98/88/05/537988805.db2.gz MRBQLTMLWOCSRF-LBPRGKRZSA-N 1 0 245.326 2.210 10 0 BEAERO COC(=O)c1cccnc1C[N@H+](C)CCC1CC1 ZINC000310884439 347316999 /nfs/dbraw/zinc/31/69/99/347316999.db2.gz XFTYTOANQWOJAI-UHFFFAOYSA-N 1 0 248.326 2.100 10 0 BEAERO Cc1cccc2c3c([nH]c21)CC[C@@H]([NH3+])C3 ZINC000071477428 179225503 /nfs/dbraw/zinc/22/55/03/179225503.db2.gz PVOOLUROQJSJBP-SECBINFHSA-N 1 0 200.285 2.292 10 0 BEAERO Cc1nsc(S[C@@H]2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000250833299 362823283 /nfs/dbraw/zinc/82/32/83/362823283.db2.gz GDVFOYQQOHMYJM-MHSYXAOVSA-N 1 0 229.374 2.064 10 0 BEAERO COc1ccccc1[C@@H]1COCCN1C(C)C ZINC000149627004 347381989 /nfs/dbraw/zinc/38/19/89/347381989.db2.gz KTDVPLBCPHLLCL-ZDUSSCGKSA-N 1 0 235.327 2.477 10 0 BEAERO CCCc1nn(C(C)C)c2c1CC[NH2+]C2 ZINC000725242782 537989556 /nfs/dbraw/zinc/98/95/56/537989556.db2.gz SZUFERQIOUWRBL-UHFFFAOYSA-N 1 0 207.321 2.062 10 0 BEAERO CC[C@H]1CO[C@H](c2ccc(C)s2)C[NH2+]1 ZINC000036672933 347430825 /nfs/dbraw/zinc/43/08/25/347430825.db2.gz QUTDVMSSCDOOCP-UWVGGRQHSA-N 1 0 211.330 2.496 10 0 BEAERO Cc1nn(-c2ccccc2C)c(C)c1CC[NH3+] ZINC000041251739 179242517 /nfs/dbraw/zinc/24/25/17/179242517.db2.gz BOORUQZMZGXFSY-UHFFFAOYSA-N 1 0 229.327 2.299 10 0 BEAERO Cc1ccccc1-c1nnc(CC[NH3+])s1 ZINC000057500582 179239595 /nfs/dbraw/zinc/23/95/95/179239595.db2.gz WNMCKHNUSCWEJO-UHFFFAOYSA-N 1 0 219.313 2.015 10 0 BEAERO Cc1ccccc1C(=O)NC[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000051572952 179251435 /nfs/dbraw/zinc/25/14/35/179251435.db2.gz BGHVOAXTWYKLFT-CHWSQXEVSA-N 1 0 246.354 2.255 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000364834459 347557158 /nfs/dbraw/zinc/55/71/58/347557158.db2.gz PZRABDWVUNLXSH-KBPBESRZSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1ccccc1CC1([NH3+])CCOCC1 ZINC000016745964 179260033 /nfs/dbraw/zinc/26/00/33/179260033.db2.gz CCHBMUMYIADFLD-UHFFFAOYSA-N 1 0 205.301 2.045 10 0 BEAERO Cc1ccccc1CN(C)[C@@H](C)[C@@H](C)[NH3+] ZINC000042436037 179270454 /nfs/dbraw/zinc/27/04/54/179270454.db2.gz DBHKCKSZWRCNBD-NEPJUHHUSA-N 1 0 206.333 2.163 10 0 BEAERO Cc1ccccc1CC[C@H]1COC[C@@H](C)[NH2+]1 ZINC000071521367 179267695 /nfs/dbraw/zinc/26/76/95/179267695.db2.gz IXPXNBFHSMTLQG-OCCSQVGLSA-N 1 0 219.328 2.305 10 0 BEAERO Cc1ccccc1C[N@H+](C)CCC(N)=S ZINC000019834872 179269170 /nfs/dbraw/zinc/26/91/70/179269170.db2.gz FRJKDZVRMJUOKJ-UHFFFAOYSA-N 1 0 222.357 2.103 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000419181450 192108176 /nfs/dbraw/zinc/10/81/76/192108176.db2.gz BINCFMZDVUZUCE-AWEZNQCLSA-N 1 0 241.375 2.040 10 0 BEAERO COC(=O)c1occc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592182762 347759785 /nfs/dbraw/zinc/75/97/85/347759785.db2.gz UOJIQQVEZKPPDI-MVWJERBFSA-N 1 0 249.310 2.344 10 0 BEAERO Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000123261313 179283183 /nfs/dbraw/zinc/28/31/83/179283183.db2.gz SVFMKQNUATUCNX-RYUDHWBXSA-N 1 0 207.317 2.102 10 0 BEAERO Cc1ccccc1N(C)C1CC[NH2+]CC1 ZINC000049986725 179293946 /nfs/dbraw/zinc/29/39/46/179293946.db2.gz SQBIFLFWVHQWFA-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccccc1Cn1cc([C@H](C)[NH3+])cn1 ZINC000054716876 179294353 /nfs/dbraw/zinc/29/43/53/179294353.db2.gz QTJUMHSUNDQBOY-NSHDSACASA-N 1 0 215.300 2.260 10 0 BEAERO Cc1ccccc1C[C@H]([NH3+])c1ncccn1 ZINC000037467246 179291942 /nfs/dbraw/zinc/29/19/42/179291942.db2.gz AMSFNCOPEKBOQC-LBPRGKRZSA-N 1 0 213.284 2.028 10 0 BEAERO Cc1ccccc1OCCCSC(N)=[NH2+] ZINC000039110759 179310922 /nfs/dbraw/zinc/31/09/22/179310922.db2.gz JPXZGCICVNXAGW-UHFFFAOYSA-N 1 0 224.329 2.391 10 0 BEAERO Cc1ccccc1OCC[C@](C)(C[NH3+])N(C)C ZINC000019667650 179312104 /nfs/dbraw/zinc/31/21/04/179312104.db2.gz NSKBECMSDMWXOH-CQSZACIVSA-N 1 0 236.359 2.043 10 0 BEAERO Cc1ccccc1[C@@H](N)C[NH+]1CCCCC1 ZINC000019259007 179324780 /nfs/dbraw/zinc/32/47/80/179324780.db2.gz MWCSCOXFQKSTLB-AWEZNQCLSA-N 1 0 218.344 2.481 10 0 BEAERO Cc1ccccc1[C@@H](N)C[N@H+]1CCC[C@@H]1C ZINC000037910600 179325509 /nfs/dbraw/zinc/32/55/09/179325509.db2.gz UAABLHTZPDRRSP-JSGCOSHPSA-N 1 0 218.344 2.479 10 0 BEAERO C[NH2+][C@H]1CCCc2c(OC)ccc(F)c21 ZINC000616570264 347966502 /nfs/dbraw/zinc/96/65/02/347966502.db2.gz GHLAHJSUMNFEDO-JTQLQIEISA-N 1 0 209.264 2.431 10 0 BEAERO Cc1ccccc1[C@@H](O)C[NH2+]C(C)(C)C ZINC000032011855 179326722 /nfs/dbraw/zinc/32/67/22/179326722.db2.gz SEPZATHUSRFQAJ-LBPRGKRZSA-N 1 0 207.317 2.417 10 0 BEAERO CC[N@@H+]1CC[C@@H]2c3cc(OC)ccc3C[C@@H]21 ZINC000196668194 347986103 /nfs/dbraw/zinc/98/61/03/347986103.db2.gz ITTBOGOAOBWWTM-OCCSQVGLSA-N 1 0 217.312 2.429 10 0 BEAERO [NH3+][C@@H]1CCN2CCc3c4ccccc4[nH]c3[C@H]2C1 ZINC000196668260 347986270 /nfs/dbraw/zinc/98/62/70/347986270.db2.gz DOOAEYGCSVCQDK-QMTHXVAHSA-N 1 0 241.338 2.188 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282203151 179339019 /nfs/dbraw/zinc/33/90/19/179339019.db2.gz CURHJWCBTSQNQD-OUCADQQQSA-N 1 0 246.354 2.313 10 0 BEAERO C[C@H]1CCC[C@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725244066 537996043 /nfs/dbraw/zinc/99/60/43/537996043.db2.gz DIBYWEZACOEDRX-GWCFXTLKSA-N 1 0 227.348 2.483 10 0 BEAERO CC[C@H]([NH3+])[C@@H](C)N(C)Cc1ccccc1 ZINC000037116221 348021129 /nfs/dbraw/zinc/02/11/29/348021129.db2.gz ASHOEEGDBJWQIN-YPMHNXCESA-N 1 0 206.333 2.244 10 0 BEAERO Cc1ccccc1[C@@](C)([NH2+]C1CCCC1)C(N)=O ZINC000037969540 179333384 /nfs/dbraw/zinc/33/33/84/179333384.db2.gz METRCDRZQPGONV-OAHLLOKOSA-N 1 0 246.354 2.228 10 0 BEAERO Cc1ccccc1[C@H]1C[NH2+]C(C)(C)CO1 ZINC000011803201 179348282 /nfs/dbraw/zinc/34/82/82/179348282.db2.gz LEZSNFRSMUMORM-GFCCVEGCSA-N 1 0 205.301 2.435 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])OC[C@H]1CCCO1 ZINC000043039164 179341850 /nfs/dbraw/zinc/34/18/50/179341850.db2.gz IGNFVAGAVNIQKJ-OCCSQVGLSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1ccccc1[C@H](CN)[N@@H+]1CC[C@H](C)C1 ZINC000042278853 179342318 /nfs/dbraw/zinc/34/23/18/179342318.db2.gz ORYFHMNRUXYRDX-FZMZJTMJSA-N 1 0 218.344 2.337 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CN1CCCCCC1=O ZINC000019391620 179343458 /nfs/dbraw/zinc/34/34/58/179343458.db2.gz LOWPHUYGWPCPLR-CQSZACIVSA-N 1 0 246.354 2.397 10 0 BEAERO Cc1ccccc1[C@H](N)C[N@@H+](C)C(C)C ZINC000023071437 179343970 /nfs/dbraw/zinc/34/39/70/179343970.db2.gz ZTZOASGSOPTLNY-CYBMUJFWSA-N 1 0 206.333 2.335 10 0 BEAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])n1ccnc1 ZINC000043037713 179346258 /nfs/dbraw/zinc/34/62/58/179346258.db2.gz WLXXXZSCKYTLDN-AAEUAGOBSA-N 1 0 215.300 2.128 10 0 BEAERO Cc1ccccc1[C@H]1CC2(CC[NH2+]1)OCCO2 ZINC000041260656 179346643 /nfs/dbraw/zinc/34/66/43/179346643.db2.gz LNLUVDUFUAONEI-CYBMUJFWSA-N 1 0 233.311 2.163 10 0 BEAERO Cc1cccnc1-c1nc(CC[NH3+])cs1 ZINC000061798293 179356267 /nfs/dbraw/zinc/35/62/67/179356267.db2.gz SCCYTZYWRJRIMZ-UHFFFAOYSA-N 1 0 219.313 2.015 10 0 in-vitro BEAERO Cc1cccn(CC[NH2+][C@H]2CCCC[C@H]2C)c1=O ZINC000062986566 179352301 /nfs/dbraw/zinc/35/23/01/179352301.db2.gz LGVGVTLUDGXRNG-OCCSQVGLSA-N 1 0 248.370 2.325 10 0 BEAERO Cc1ccccc1[S@@](=O)C1CCC([NH3+])CC1 ZINC000055144889 179352544 /nfs/dbraw/zinc/35/25/44/179352544.db2.gz OESQTOLDHSEYMU-ZEPSKSRBSA-N 1 0 237.368 2.373 10 0 BEAERO Cc1ccccc1[S@@](=O)CC1CC[NH2+]CC1 ZINC000083296215 179352649 /nfs/dbraw/zinc/35/26/49/179352649.db2.gz KVBHWAVUCQPTAU-MRXNPFEDSA-N 1 0 237.368 2.102 10 0 BEAERO Cc1ccccc1[S@](=O)C1CCC([NH3+])CC1 ZINC000055144891 179352885 /nfs/dbraw/zinc/35/28/85/179352885.db2.gz OESQTOLDHSEYMU-PPUFBPAQSA-N 1 0 237.368 2.373 10 0 BEAERO C[NH2+]CCCN(CC(C)C)C(=O)c1ccccc1 ZINC000197025676 348084164 /nfs/dbraw/zinc/08/41/64/348084164.db2.gz LREJQDXJGWBSQR-UHFFFAOYSA-N 1 0 248.370 2.394 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](O)C(Cl)(Cl)Cl ZINC000669381951 537999504 /nfs/dbraw/zinc/99/95/04/537999504.db2.gz BMEHLAYRRXAJGD-WDSKDSINSA-N 1 0 234.554 2.106 10 0 BEAERO CS[C@@H]1CCCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000595388023 348243062 /nfs/dbraw/zinc/24/30/62/348243062.db2.gz SHGMIANGIUXSAV-IJLUTSLNSA-N 1 0 229.389 2.117 10 0 BEAERO Cc1cccnc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000093170903 179374147 /nfs/dbraw/zinc/37/41/47/179374147.db2.gz BVQPLVPKKHHUIO-CYBMUJFWSA-N 1 0 234.343 2.127 10 0 BEAERO Cc1cccnc1CN1CC[C@H](C[NH2+]C(C)C)C1 ZINC000071344232 179374869 /nfs/dbraw/zinc/37/48/69/179374869.db2.gz GLGRXGVUWHBCIT-CQSZACIVSA-N 1 0 247.386 2.210 10 0 BEAERO CCC(CC)[NH2+]C[C@H](O)C(Cl)(Cl)Cl ZINC000669382302 538001188 /nfs/dbraw/zinc/00/11/88/538001188.db2.gz JSEPAAKAQYNKRO-ZETCQYMHSA-N 1 0 248.581 2.496 10 0 BEAERO Cc1cccnc1Nc1cccc(OCC[NH3+])c1 ZINC000062839394 179395408 /nfs/dbraw/zinc/39/54/08/179395408.db2.gz BXISKXYJHODISW-UHFFFAOYSA-N 1 0 243.310 2.471 10 0 BEAERO Cc1ccn(-c2ccc(F)cc2C[C@H](C)[NH3+])n1 ZINC000104282292 179399573 /nfs/dbraw/zinc/39/95/73/179399573.db2.gz GZNJYUBLQVTXOJ-VIFPVBQESA-N 1 0 233.290 2.210 10 0 BEAERO C[C@H]([NH3+])c1csc(N2CC[C@H](C)C2)n1 ZINC000251538603 362884765 /nfs/dbraw/zinc/88/47/65/362884765.db2.gz BGXWEWPXKDWAIS-YUMQZZPRSA-N 1 0 211.334 2.009 10 0 BEAERO C[C@@H]1C[C@]2(CS1)[NH2+][C@H](C)CCS2 ZINC000251751844 362906487 /nfs/dbraw/zinc/90/64/87/362906487.db2.gz SJCCXMLSQWYPQL-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@@H]1CC[C@@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725245853 538004357 /nfs/dbraw/zinc/00/43/57/538004357.db2.gz YEBSRRONINMAET-BXKDBHETSA-N 1 0 213.321 2.093 10 0 BEAERO CCCN(CC)c1nc(C[NH3+])ccc1Cl ZINC000669382927 538004660 /nfs/dbraw/zinc/00/46/60/538004660.db2.gz ONEMRILBFJCQNT-UHFFFAOYSA-N 1 0 227.739 2.430 10 0 BEAERO CCSC1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000596065186 348436226 /nfs/dbraw/zinc/43/62/26/348436226.db2.gz FWZOHZBUQCEPQT-GHMZBOCLSA-N 1 0 229.389 2.165 10 0 BEAERO CC(C)(C)OC(=O)n1cc2c(c1)[C@H]([NH3+])CC2 ZINC000669382493 538005477 /nfs/dbraw/zinc/00/54/77/538005477.db2.gz LTQFBEGNKDSUGU-SNVBAGLBSA-N 1 0 222.288 2.217 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2CC=CCC2)[C@H]2CCO[C@H]21 ZINC000251135894 535075545 /nfs/dbraw/zinc/07/55/45/535075545.db2.gz HWWVCZSOBVLAKT-FDYHWXHSSA-N 1 0 221.344 2.498 10 0 BEAERO CCCC[NH2+]C[C@H](O)C(Cl)(Cl)Cl ZINC000669382945 538006733 /nfs/dbraw/zinc/00/67/33/538006733.db2.gz PMUICSZCFDTNHY-LURJTMIESA-N 1 0 234.554 2.107 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CCCn1ccnn1 ZINC000125630617 348594123 /nfs/dbraw/zinc/59/41/23/348594123.db2.gz OTXXTSGWKQKGLC-ZDUSSCGKSA-N 1 0 244.342 2.327 10 0 BEAERO C[N@H+](Cc1cccs1)[C@H]1CCC[C@@H]1O ZINC000037489585 348622168 /nfs/dbraw/zinc/62/21/68/348622168.db2.gz XHDOPRAORYBGNS-QWRGUYRKSA-N 1 0 211.330 2.093 10 0 BEAERO Cc1cnc(N[C@@H]2CCCC[C@H]2[NH3+])nc1Cl ZINC000095069331 179640248 /nfs/dbraw/zinc/64/02/48/179640248.db2.gz YGCVWTWFUCGHLD-RKDXNWHRSA-N 1 0 240.738 2.120 10 0 BEAERO [NH3+]CCC1CCN(c2nc3ccccc3o2)CC1 ZINC000053705822 348691357 /nfs/dbraw/zinc/69/13/57/348691357.db2.gz KXVMEUCKCULDML-UHFFFAOYSA-N 1 0 245.326 2.393 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725246987 538011062 /nfs/dbraw/zinc/01/10/62/538011062.db2.gz CPGFOMCYNGSSPO-GXTWGEPZSA-N 1 0 216.328 2.378 10 0 BEAERO [NH3+][C@@H]1C[C@@]12CNc1cc(Cl)cc(Cl)c12 ZINC000725247074 538012234 /nfs/dbraw/zinc/01/22/34/538012234.db2.gz GQXAMYOAPLVECT-PSASIEDQSA-N 1 0 229.110 2.388 10 0 BEAERO [NH3+]Cc1ccc(Cl)c(N2CCCCC2)n1 ZINC000669383824 538012304 /nfs/dbraw/zinc/01/23/04/538012304.db2.gz YOMPYMVQPZPWQM-UHFFFAOYSA-N 1 0 225.723 2.184 10 0 BEAERO C[C@H](CCc1ccsc1)[NH2+][C@@H]1C[C@H]1CO ZINC000308852325 348857506 /nfs/dbraw/zinc/85/75/06/348857506.db2.gz OTWIJEHCSIZZHG-ADEWGFFLSA-N 1 0 225.357 2.040 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306154 348979132 /nfs/dbraw/zinc/97/91/32/348979132.db2.gz BVCMVDIWKWQPHI-STQMWFEESA-N 1 0 240.391 2.317 10 0 BEAERO CCC[NH2+]CCNc1ncnc2ccccc21 ZINC000054267548 348960817 /nfs/dbraw/zinc/96/08/17/348960817.db2.gz QXKVOUIPBFLNQA-UHFFFAOYSA-N 1 0 230.315 2.041 10 0 BEAERO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054290242 348962141 /nfs/dbraw/zinc/96/21/41/348962141.db2.gz NZHYRBGRUHABKV-GFCCVEGCSA-N 1 0 232.327 2.323 10 0 BEAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290226 348962167 /nfs/dbraw/zinc/96/21/67/348962167.db2.gz CASQEVMTRSDYFV-CHWSQXEVSA-N 1 0 246.354 2.254 10 0 BEAERO Cc1cnn([C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])c1 ZINC000042973209 179745695 /nfs/dbraw/zinc/74/56/95/179745695.db2.gz NTGIMIZXTVSYGO-ZWNOBZJWSA-N 1 0 233.290 2.267 10 0 BEAERO CC(C)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334795210 349056301 /nfs/dbraw/zinc/05/63/01/349056301.db2.gz DIOYCJHQQZGAFX-VXGBXAGGSA-N 1 0 209.333 2.143 10 0 BEAERO CC(C)CC(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616573565 349071485 /nfs/dbraw/zinc/07/14/85/349071485.db2.gz ZRARGLJPDXMOJK-UHFFFAOYSA-N 1 0 240.391 2.175 10 0 BEAERO C[C@H]([NH3+])c1cccc(CNC(=O)C(C)(C)C)c1 ZINC000616574188 349076619 /nfs/dbraw/zinc/07/66/19/349076619.db2.gz XZOIOJUUBCHSPY-JTQLQIEISA-N 1 0 234.343 2.369 10 0 BEAERO C/C=C/C(=O)Nc1ccc(C)c(C[NH3+])c1C ZINC000616574120 349076680 /nfs/dbraw/zinc/07/66/80/349076680.db2.gz XGZXQMWBILITFW-SNAWJCMRSA-N 1 0 218.300 2.277 10 0 BEAERO C/C=C(\C)C(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616571869 349061259 /nfs/dbraw/zinc/06/12/59/349061259.db2.gz ILIFHZXCPKNTBL-INJWIWPUSA-N 1 0 232.327 2.289 10 0 BEAERO C/C=C(/C)C(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616571873 349061287 /nfs/dbraw/zinc/06/12/87/349061287.db2.gz ILIFHZXCPKNTBL-NEOSZVFXSA-N 1 0 232.327 2.289 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000308912876 349066792 /nfs/dbraw/zinc/06/67/92/349066792.db2.gz YUCQACOBXHZRTP-GZMMTYOYSA-N 1 0 246.137 2.464 10 0 BEAERO C/C=C(/C)C(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616573198 349068111 /nfs/dbraw/zinc/06/81/11/349068111.db2.gz QPZRBAZEUAGVMY-NEOSZVFXSA-N 1 0 232.327 2.289 10 0 BEAERO Cc1csc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000050164027 179789193 /nfs/dbraw/zinc/78/91/93/179789193.db2.gz OQNDDSCKSXWQQM-VHSXEESVSA-N 1 0 225.361 2.252 10 0 BEAERO COc1cc([C@@H]2CCC[NH2+]C2)ccc1F ZINC000059440432 349221915 /nfs/dbraw/zinc/22/19/15/349221915.db2.gz VMRATJGZMVJDFO-SNVBAGLBSA-N 1 0 209.264 2.301 10 0 BEAERO CCCCc1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253360 538037817 /nfs/dbraw/zinc/03/78/17/538037817.db2.gz JRRIXCGXFJTJHW-SECBINFHSA-N 1 0 207.321 2.099 10 0 BEAERO CCOc1cc(C[NH3+])cc(OC(F)(F)F)c1 ZINC000616580157 349252158 /nfs/dbraw/zinc/25/21/58/349252158.db2.gz OKTCLXYUQUKATD-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO Cc1ccc([C@H]([NH3+])CC(F)(F)F)cn1 ZINC000062950143 349269947 /nfs/dbraw/zinc/26/99/47/349269947.db2.gz VOTYCSZYLVZELD-MRVPVSSYSA-N 1 0 204.195 2.342 10 0 BEAERO Cc1nc(C(C)C)nc(C)c1[C@@H](C)C[NH3+] ZINC000054837073 179895159 /nfs/dbraw/zinc/89/51/59/179895159.db2.gz MHRHVCYOJHBOEP-QMMMGPOBSA-N 1 0 207.321 2.279 10 0 BEAERO CN1CCc2ccccc2[C@H]1c1cnoc1 ZINC000616583541 349314648 /nfs/dbraw/zinc/31/46/48/349314648.db2.gz DRWQIVRSEQGTHO-CYBMUJFWSA-N 1 0 214.268 2.252 10 0 BEAERO COc1cc2c(C[NH3+])nsc2c(Cl)c1 ZINC000725254145 538043028 /nfs/dbraw/zinc/04/30/28/538043028.db2.gz NFIFEDJKPUTVMH-UHFFFAOYSA-N 1 0 228.704 2.417 10 0 BEAERO Cc1nc(C)n(-c2ccc(C[C@@H](C)[NH3+])c(C)c2)n1 ZINC000104291272 179921361 /nfs/dbraw/zinc/92/13/61/179921361.db2.gz DWAGMFRQHWFOFA-SNVBAGLBSA-N 1 0 244.342 2.082 10 0 BEAERO Cc1nc(C2CC2)nc(C)c1[C@H](C)C[NH3+] ZINC000054837067 179925311 /nfs/dbraw/zinc/92/53/11/179925311.db2.gz UNZRXDBROKUQSA-SSDOTTSWSA-N 1 0 205.305 2.033 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH3+] ZINC000070162421 191002978 /nfs/dbraw/zinc/00/29/78/191002978.db2.gz IMARJCJANVNDAM-JTQLQIEISA-N 1 0 228.336 2.125 10 0 BEAERO COC(=O)c1occc1C[NH2+][C@@H](C)C(C)C ZINC000035222862 358455599 /nfs/dbraw/zinc/45/55/99/358455599.db2.gz ZKJIXJVAFDUUIH-VIFPVBQESA-N 1 0 225.288 2.200 10 0 BEAERO COC(=O)c1cccnc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000302286805 350069651 /nfs/dbraw/zinc/06/96/51/350069651.db2.gz FUUMHUNUQQMSAG-JTQLQIEISA-N 1 0 248.326 2.099 10 0 BEAERO c1ccc(C[C@@H]2OC[C@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000005933620 350086289 /nfs/dbraw/zinc/08/62/89/350086289.db2.gz BFIHVAAIQMHVLM-RRFJBIMHSA-N 1 0 247.338 2.113 10 0 BEAERO Cc1nc(N)sc1SC[C@H]1CCCC[NH2+]1 ZINC000043495493 180000340 /nfs/dbraw/zinc/00/03/40/180000340.db2.gz UIXOPWWKAOYPHX-MRVPVSSYSA-N 1 0 243.401 2.268 10 0 BEAERO Cc1nc(N)sc1SC[C@H]1CCC[NH2+]C1 ZINC000043471832 180001089 /nfs/dbraw/zinc/00/10/89/180001089.db2.gz IPCLJYQRPJTMPK-QMMMGPOBSA-N 1 0 243.401 2.125 10 0 BEAERO Cc1nc(N2C[C@H](C)C[C@@H](C)C2)sc1C[NH3+] ZINC000054994986 180003293 /nfs/dbraw/zinc/00/32/93/180003293.db2.gz WRCHKBLXWREFFV-RKDXNWHRSA-N 1 0 239.388 2.393 10 0 BEAERO Cc1nc(N[C@@H]2C[NH2+]CC[C@@H]2C)sc1C ZINC000335655380 180023951 /nfs/dbraw/zinc/02/39/51/180023951.db2.gz BOSBTNXTFTYMPQ-OIBJUYFYSA-N 1 0 225.361 2.170 10 0 BEAERO Cc1nc(N[C@@H]2C[NH2+]CC[C@H]2C)sc1C ZINC000335655379 180024283 /nfs/dbraw/zinc/02/42/83/180024283.db2.gz BOSBTNXTFTYMPQ-GMSGAONNSA-N 1 0 225.361 2.170 10 0 BEAERO Cc1nc(N[C@@H]2CC[C@@H](C[NH3+])C2)sc1C ZINC000335577386 180024613 /nfs/dbraw/zinc/02/46/13/180024613.db2.gz DJWRALHNIFJYOC-NXEZZACHSA-N 1 0 225.361 2.299 10 0 BEAERO Cc1nc(N[C@H]2CC[C@H](C[NH3+])C2)sc1C ZINC000335577387 180025676 /nfs/dbraw/zinc/02/56/76/180025676.db2.gz DJWRALHNIFJYOC-UWVGGRQHSA-N 1 0 225.361 2.299 10 0 BEAERO Cc1nc([C@@H](O)[C@H]([NH3+])Cc2ccccc2)cs1 ZINC000096962509 180041720 /nfs/dbraw/zinc/04/17/20/180041720.db2.gz TVEBAXSIHJJOOZ-YPMHNXCESA-N 1 0 248.351 2.055 10 0 BEAERO Cc1nc([C@@H]2CCCO2)sc1[C@H](C)[NH3+] ZINC000082420717 180045617 /nfs/dbraw/zinc/04/56/17/180045617.db2.gz NEMSDFLEDKFITB-XPUUQOCRSA-N 1 0 212.318 2.323 10 0 BEAERO Cc1nc([C@@]2([NH3+])C[C@H](C)CC(C)(C)C2)no1 ZINC000036762411 180047245 /nfs/dbraw/zinc/04/72/45/180047245.db2.gz QRCKZJUMXYBVQZ-PRHODGIISA-N 1 0 223.320 2.378 10 0 BEAERO Cc1nc([C@H](C)NC[C@H]2CC[N@H+](C)C2)cs1 ZINC000037484837 180048622 /nfs/dbraw/zinc/04/86/22/180048622.db2.gz PYBXFKUWBXCRPY-GXSJLCMTSA-N 1 0 239.388 2.054 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000132520935 191032917 /nfs/dbraw/zinc/03/29/17/191032917.db2.gz DBOSAVJNYGEVON-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1 ZINC000132545436 191033527 /nfs/dbraw/zinc/03/35/27/191033527.db2.gz SXUYDTFAJPDURN-BLLLJJGKSA-N 1 0 239.384 2.242 10 0 BEAERO Cc1ccsc1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000132579200 191034095 /nfs/dbraw/zinc/03/40/95/191034095.db2.gz XNNLMQNFMVRQRK-ZUZCIYMTSA-N 1 0 245.413 2.303 10 0 BEAERO Cc1cccc(C[NH2+]CC[C@@H](C)[S@](C)=O)c1 ZINC000132568038 191034101 /nfs/dbraw/zinc/03/41/01/191034101.db2.gz BMKDOULFJJPOEN-MLGOLLRUSA-N 1 0 239.384 2.242 10 0 BEAERO CSc1nnc(S[C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000228037287 350130529 /nfs/dbraw/zinc/13/05/29/350130529.db2.gz XPQWZEALFKKZFA-NTSWFWBYSA-N 1 0 247.414 2.232 10 0 BEAERO Cc1nc2c(s1)[C@@H]([NH2+]CC[C@@H](C)O)CCC2 ZINC000119066203 180074516 /nfs/dbraw/zinc/07/45/16/180074516.db2.gz NMXCIJZGLIYZBZ-SCZZXKLOSA-N 1 0 240.372 2.189 10 0 BEAERO CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917279 168613811 /nfs/dbraw/zinc/61/38/11/168613811.db2.gz ADRODLQIYFQNKS-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO Cc1nc2cc(Cl)ccn2c1[C@H](C)[NH3+] ZINC000074376557 180079171 /nfs/dbraw/zinc/07/91/71/180079171.db2.gz GFYQYRQGMCEOFS-LURJTMIESA-N 1 0 209.680 2.316 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C1CC1)C1CC1 ZINC000304228822 350146012 /nfs/dbraw/zinc/14/60/12/350146012.db2.gz JZJJGSPMYOEQJM-ZDUSSCGKSA-N 1 0 225.376 2.419 10 0 BEAERO C[C@@H](C[NH3+])[C@H](O)c1cccc(Br)c1 ZINC000083021608 538062595 /nfs/dbraw/zinc/06/25/95/538062595.db2.gz MNPIRBBRAZOOIQ-XVKPBYJWSA-N 1 0 244.132 2.077 10 0 BEAERO Cc1nc(C)c(C[NH2+]CC2(CCO)CC2)s1 ZINC000133063375 191035989 /nfs/dbraw/zinc/03/59/89/191035989.db2.gz KXDFGBCMMNTELW-UHFFFAOYSA-N 1 0 240.372 2.012 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000133157679 191038113 /nfs/dbraw/zinc/03/81/13/191038113.db2.gz ZCHVTVAMCLCBRI-NWDGAFQWSA-N 1 0 211.349 2.317 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000124458239 180110511 /nfs/dbraw/zinc/11/05/11/180110511.db2.gz CESHWXKIGUVWNQ-CHWSQXEVSA-N 1 0 246.358 2.367 10 0 BEAERO CSCCCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000133698697 191041721 /nfs/dbraw/zinc/04/17/21/191041721.db2.gz JTQNTIWBTCRLFO-NEPJUHHUSA-N 1 0 242.432 2.344 10 0 BEAERO CSCCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000133643245 191043228 /nfs/dbraw/zinc/04/32/28/191043228.db2.gz NGQIGRGOLKEXFK-JTQLQIEISA-N 1 0 227.377 2.214 10 0 BEAERO COCCC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304258444 350151316 /nfs/dbraw/zinc/15/13/16/350151316.db2.gz SPMXVASZICNHIY-NSHDSACASA-N 1 0 231.380 2.046 10 0 BEAERO Cc1ncc(C[NH2+]Cc2ccccc2N)s1 ZINC000049538880 180154143 /nfs/dbraw/zinc/15/41/43/180154143.db2.gz OSEUTBNIFNRMAO-UHFFFAOYSA-N 1 0 233.340 2.324 10 0 BEAERO Cc1ncc(C[NH2+]Cc2ccc(O)cc2)s1 ZINC000040997290 180154640 /nfs/dbraw/zinc/15/46/40/180154640.db2.gz XJPWKRMTARNJSC-UHFFFAOYSA-N 1 0 234.324 2.447 10 0 BEAERO C[C@@H](C[NH3+])CNc1ncccc1C(F)(F)F ZINC000083387667 350192523 /nfs/dbraw/zinc/19/25/23/350192523.db2.gz LJKUTKSHZQTCNX-ZETCQYMHSA-N 1 0 233.237 2.107 10 0 BEAERO Cc1ncc(C[NH2+][C@H]2CCCCC[C@@H]2O)s1 ZINC000040997925 180158784 /nfs/dbraw/zinc/15/87/84/180158784.db2.gz UJAOTFWMSYJIIQ-RYUDHWBXSA-N 1 0 240.372 2.235 10 0 BEAERO Cc1ncc(COC[C@H]2CCCC[NH2+]2)s1 ZINC000062336959 180159894 /nfs/dbraw/zinc/15/98/94/180159894.db2.gz QALZFKWLSYKXBO-SNVBAGLBSA-N 1 0 226.345 2.110 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c(C)n1 ZINC000252714367 180173653 /nfs/dbraw/zinc/17/36/53/180173653.db2.gz RUYQTIZAUDVDSE-VFWDIBGWSA-N 1 0 205.305 2.152 10 0 BEAERO Cc1nccc(C[NH2+][C@@H](C)CCc2ccco2)n1 ZINC000038037606 180191661 /nfs/dbraw/zinc/19/16/61/180191661.db2.gz CSHVMPUDIPENPH-NSHDSACASA-N 1 0 245.326 2.489 10 0 BEAERO CCC[C@](C[NH3+])(c1ccccc1)[C@@H](C)CO ZINC000309220442 350202936 /nfs/dbraw/zinc/20/29/36/350202936.db2.gz OITZMAMFOBDLDE-GXTWGEPZSA-N 1 0 221.344 2.312 10 0 BEAERO Cc1nccc(N[C@@H](C)c2ccc(C[NH3+])cc2)n1 ZINC000054935439 180203983 /nfs/dbraw/zinc/20/39/83/180203983.db2.gz JTWVYSAUICJXIX-JTQLQIEISA-N 1 0 242.326 2.417 10 0 BEAERO Cc1nccc(C[NH2+]CC2CCCC2)n1 ZINC000042011221 180189953 /nfs/dbraw/zinc/18/99/53/180189953.db2.gz DDUVRWKLEAVPFO-UHFFFAOYSA-N 1 0 205.305 2.065 10 0 BEAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000386229671 362952497 /nfs/dbraw/zinc/95/24/97/362952497.db2.gz LXYKHXLBIUXRNU-RWMBFGLXSA-N 1 0 242.432 2.344 10 0 BEAERO Cc1ncccc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000165320605 180228093 /nfs/dbraw/zinc/22/80/93/180228093.db2.gz FCQFRXWNMRZLSC-JQWIXIFHSA-N 1 0 231.343 2.427 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1c1noc(C2CCCC2)n1 ZINC000074044793 350236760 /nfs/dbraw/zinc/23/67/60/350236760.db2.gz JJFHXKWOVXQTPB-VHSXEESVSA-N 1 0 221.304 2.322 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccn(C)c1 ZINC000126366605 191083170 /nfs/dbraw/zinc/08/31/70/191083170.db2.gz NTKAPCOSIFOKSP-KGLIPLIRSA-N 1 0 236.359 2.176 10 0 BEAERO Cc1nc(C[NH3+])cc(-c2ccccc2F)n1 ZINC000074111167 350238635 /nfs/dbraw/zinc/23/86/35/350238635.db2.gz FEUQCHFTRMMYPJ-UHFFFAOYSA-N 1 0 217.247 2.050 10 0 BEAERO Cc1nc(NC[C@@H]([NH3+])C(C)C)sc1C ZINC000083533151 350239644 /nfs/dbraw/zinc/23/96/44/350239644.db2.gz HQHVMKUROHUDRT-SECBINFHSA-N 1 0 213.350 2.155 10 0 BEAERO Cc1nccn1[C@@H](C)C[NH2+]C1CCCC1 ZINC000053500419 180272502 /nfs/dbraw/zinc/27/25/02/180272502.db2.gz QVEKGHHXZSSDIN-JTQLQIEISA-N 1 0 207.321 2.285 10 0 BEAERO Cc1nccn1[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042902734 180272573 /nfs/dbraw/zinc/27/25/73/180272573.db2.gz CSWBAQOTXUKFIB-GWCFXTLKSA-N 1 0 215.300 2.128 10 0 BEAERO Cc1nccn1[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107022 180272586 /nfs/dbraw/zinc/27/25/86/180272586.db2.gz UNPLLYGCDHEOGU-LDYMZIIASA-N 1 0 221.329 2.190 10 0 BEAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000386229673 362952912 /nfs/dbraw/zinc/95/29/12/362952912.db2.gz LXYKHXLBIUXRNU-YNEHKIRRSA-N 1 0 242.432 2.344 10 0 BEAERO C=C(C)CO[C@H]1C[NH2+]CC[C@@H]1c1ccoc1 ZINC000034321428 350263225 /nfs/dbraw/zinc/26/32/25/350263225.db2.gz PIAUAAWDLXYKAZ-OLZOCXBDSA-N 1 0 221.300 2.318 10 0 BEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000180120470 180267038 /nfs/dbraw/zinc/26/70/38/180267038.db2.gz PAFHDGZDIJJWRD-ZDUSSCGKSA-N 1 0 245.326 2.449 10 0 BEAERO Cc1nccn1Cc1ccoc1C[NH2+]C1CC1 ZINC000052576100 180270089 /nfs/dbraw/zinc/27/00/89/180270089.db2.gz BYZWEOQZNUTELH-UHFFFAOYSA-N 1 0 231.299 2.085 10 0 BEAERO Cc1nccn1[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000023069052 180271277 /nfs/dbraw/zinc/27/12/77/180271277.db2.gz KORPKIZVVPVRJG-NWDGAFQWSA-N 1 0 207.321 2.414 10 0 BEAERO Cc1ncn(CCOc2ccc(C[NH3+])cc2)c1C ZINC000051926108 180288008 /nfs/dbraw/zinc/28/80/08/180288008.db2.gz YTMSNBRESIXCPP-UHFFFAOYSA-N 1 0 245.326 2.038 10 0 BEAERO Cc1ncn([C@H](C[NH3+])c2ccccc2)c1C ZINC000051925868 180289611 /nfs/dbraw/zinc/28/96/11/180289611.db2.gz MQKRDWUNAFJBLU-CYBMUJFWSA-N 1 0 215.300 2.048 10 0 BEAERO CSCCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000038063622 350300945 /nfs/dbraw/zinc/30/09/45/350300945.db2.gz CGAZVMISGIIPOK-UHFFFAOYSA-N 1 0 207.302 2.051 10 0 BEAERO Cc1ncn(Cc2ccccc2C[NH3+])c1C ZINC000051926092 180289849 /nfs/dbraw/zinc/28/98/49/180289849.db2.gz TZPCGDCAVXDRAO-UHFFFAOYSA-N 1 0 215.300 2.007 10 0 BEAERO Cc1ncnc(C)c1[C@@H](C)C[NH2+]CC(C)C ZINC000054855148 180291711 /nfs/dbraw/zinc/29/17/11/180291711.db2.gz LIVWQBYQDRRCKA-JTQLQIEISA-N 1 0 221.348 2.443 10 0 BEAERO Cc1ncn(-c2ccc(C[NH2+]C(C)C)cn2)c1C ZINC000051928436 180285524 /nfs/dbraw/zinc/28/55/24/180285524.db2.gz GPYFGFVOLLTPCH-UHFFFAOYSA-N 1 0 244.342 2.382 10 0 BEAERO Cc1ncn(-c2ccc(C(N)=[NH2+])c(Cl)c2)c1C ZINC000061856823 180286407 /nfs/dbraw/zinc/28/64/07/180286407.db2.gz SKYPIKXLNRABBY-UHFFFAOYSA-N 1 0 248.717 2.427 10 0 BEAERO Cc1ncn(CCC[C@@H]2CCC[NH2+]2)c1C ZINC000052764928 180286729 /nfs/dbraw/zinc/28/67/29/180286729.db2.gz XJCPLVOKSQCQSS-LBPRGKRZSA-N 1 0 207.321 2.032 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000324372601 350295545 /nfs/dbraw/zinc/29/55/45/350295545.db2.gz UJHIBZVRVSDKTL-NXEZZACHSA-N 1 0 235.318 2.418 10 0 BEAERO Cc1ccc(Cc2cc(C[NH3+])nc(C)n2)cc1 ZINC000076070344 350346774 /nfs/dbraw/zinc/34/67/74/350346774.db2.gz XJWCWDUIGOMMHB-UHFFFAOYSA-N 1 0 227.311 2.143 10 0 BEAERO CCC(C)(C)NC(=O)N1CCC[C@]([NH3+])(CC)C1 ZINC000725264257 538090675 /nfs/dbraw/zinc/09/06/75/538090675.db2.gz RXJXKEJFXGKOMK-CYBMUJFWSA-N 1 0 241.379 2.088 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000037256249 180326895 /nfs/dbraw/zinc/32/68/95/180326895.db2.gz BEYGXBQAVDZSAE-SNVBAGLBSA-N 1 0 239.388 2.196 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC000037738996 180327548 /nfs/dbraw/zinc/32/75/48/180327548.db2.gz LXGDSWJMMKKWPG-PSASIEDQSA-N 1 0 226.345 2.139 10 0 BEAERO Cc1nn(-c2cc[nH+]cc2N)c(C)c1Cl ZINC000050585660 180330623 /nfs/dbraw/zinc/33/06/23/180330623.db2.gz NPSLKKQMUPIFLG-UHFFFAOYSA-N 1 0 222.679 2.120 10 0 BEAERO Cc1nn(C(C)(C)C)c(C)c1[C@@H](C)C[NH3+] ZINC000082641180 180332420 /nfs/dbraw/zinc/33/24/20/180332420.db2.gz YZHRZZTXTWNCGZ-QMMMGPOBSA-N 1 0 209.337 2.317 10 0 BEAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1cccs1 ZINC000057362283 180335684 /nfs/dbraw/zinc/33/56/84/180335684.db2.gz VUQUMUQBFGMDGU-UHFFFAOYSA-N 1 0 249.383 2.431 10 0 BEAERO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000164623566 180322889 /nfs/dbraw/zinc/32/28/89/180322889.db2.gz OAWLGERVHJYTCE-WDEREUQCSA-N 1 0 240.372 2.092 10 0 BEAERO C[C@@]1(C(=O)c2cccc(F)c2)CCC[NH2+]1 ZINC000226491943 350436689 /nfs/dbraw/zinc/43/66/89/350436689.db2.gz VIKQZTVPWDQCDC-LBPRGKRZSA-N 1 0 207.248 2.151 10 0 BEAERO Cc1nn(C)c(N(C)[C@H](C)C(C)(C)C)c1C[NH3+] ZINC000042777275 180352647 /nfs/dbraw/zinc/35/26/47/180352647.db2.gz JBHWGBZHCJMARH-SNVBAGLBSA-N 1 0 238.379 2.058 10 0 BEAERO Cc1nn(C)c(OC2CCC(C)CC2)c1C[NH3+] ZINC000020470113 180359831 /nfs/dbraw/zinc/35/98/31/180359831.db2.gz PARLXFWWCAKTCS-UHFFFAOYSA-N 1 0 237.347 2.145 10 0 BEAERO CC[N@H+](Cc1cccs1)CC1(O)CCC1 ZINC000336653100 350420374 /nfs/dbraw/zinc/42/03/74/350420374.db2.gz XSGNCBDIQRKQHE-UHFFFAOYSA-N 1 0 225.357 2.485 10 0 BEAERO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)C(C)C ZINC000124181763 180336952 /nfs/dbraw/zinc/33/69/52/180336952.db2.gz QCZYLYUEGFCILL-JTQLQIEISA-N 1 0 223.364 2.214 10 0 BEAERO C[C@@H](CC[NH2+]Cc1ccc(F)cc1)[S@](C)=O ZINC000132574873 191103272 /nfs/dbraw/zinc/10/32/72/191103272.db2.gz WPPUYROIJFTKKP-MGPLVRAMSA-N 1 0 243.347 2.072 10 0 BEAERO [NH3+]Cc1cc(-c2ccc(F)cc2Cl)ncn1 ZINC000409436585 350479476 /nfs/dbraw/zinc/47/94/76/350479476.db2.gz LDCIQWDVYAYIFZ-UHFFFAOYSA-N 1 0 237.665 2.395 10 0 BEAERO CC[C@@H](C)c1cc(C[NH3+])nc(C2CC2)n1 ZINC000409437388 350481495 /nfs/dbraw/zinc/48/14/95/350481495.db2.gz FZPQFLJXNVJLJP-MRVPVSSYSA-N 1 0 205.305 2.326 10 0 BEAERO Cc1nn([C@@H](C[NH3+])c2ccc(F)cc2)c(C)c1C ZINC000042915967 180392164 /nfs/dbraw/zinc/39/21/64/180392164.db2.gz TYSRBEZQRGMIRT-AWEZNQCLSA-N 1 0 247.317 2.496 10 0 BEAERO Cc1nn([C@H](C[NH3+])c2ccsc2)c(C)c1C ZINC000043124235 180393068 /nfs/dbraw/zinc/39/30/68/180393068.db2.gz SXTXVTKHWAGOGZ-GFCCVEGCSA-N 1 0 235.356 2.418 10 0 BEAERO CCC[C@H](C)C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000133331278 191105916 /nfs/dbraw/zinc/10/59/16/191105916.db2.gz ANDJSTNSNQWMGK-NSHDSACASA-N 1 0 249.420 2.226 10 0 BEAERO CC(C)[C@H]([NH3+])CCN(C)c1ncccc1F ZINC000227739305 350512365 /nfs/dbraw/zinc/51/23/65/350512365.db2.gz NUBJHTSBRQURML-LLVKDONJSA-N 1 0 225.311 2.030 10 0 BEAERO Cc1nn([C@H](C[NH3+])c2cccs2)c(C)c1C ZINC000043107364 180393432 /nfs/dbraw/zinc/39/34/32/180393432.db2.gz VHGNDJHJODLJAN-LLVKDONJSA-N 1 0 235.356 2.418 10 0 BEAERO C[C@@H]1CCSC2(C[C@H](C)O[C@@H](C)C2)[NH2+]1 ZINC000227795426 350515248 /nfs/dbraw/zinc/51/52/48/350515248.db2.gz WFCSHSXCBCJPII-UTLUCORTSA-N 1 0 215.362 2.385 10 0 BEAERO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH3+] ZINC000054716433 180386857 /nfs/dbraw/zinc/38/68/57/180386857.db2.gz RMJPREAIXSMPOO-RXMQYKEDSA-N 1 0 221.226 2.082 10 0 BEAERO Cc1nn(CC[C@H]2CCCC[NH2+]2)c(C)c1C ZINC000041671539 180389353 /nfs/dbraw/zinc/38/93/53/180389353.db2.gz DQOLGAYBKGOKSB-CYBMUJFWSA-N 1 0 221.348 2.341 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C)C[C@H](C2CC2)C[C@@H]1[NH3+] ZINC000725266662 538096564 /nfs/dbraw/zinc/09/65/64/538096564.db2.gz SBOOSJQMAIPIBT-UHIISALHSA-N 1 0 239.359 2.482 10 0 BEAERO [NH3+]CCSc1c[nH]c2cc(F)ccc12 ZINC000616593435 350583114 /nfs/dbraw/zinc/58/31/14/350583114.db2.gz VXSFCBCGBOWAOW-UHFFFAOYSA-N 1 0 210.277 2.358 10 0 BEAERO COc1cccc([C@H]2CC[N@H+](C)CCO2)c1 ZINC000616593801 350585023 /nfs/dbraw/zinc/58/50/23/350585023.db2.gz LUUJNYCBCFHTCG-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO Cc1nnc(S[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000037669096 180440032 /nfs/dbraw/zinc/44/00/32/180440032.db2.gz QRVSQXUSOCYNLP-DTWKUNHWSA-N 1 0 243.401 2.456 10 0 BEAERO c1cc2ccncc2c([C@@H]2CC[NH2+]CCO2)c1 ZINC000616594660 350596205 /nfs/dbraw/zinc/59/62/05/350596205.db2.gz RVGGKDJHUXFQNX-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO Cc1nnc([C@@H](C[NH3+])c2ccccc2)n1C1CC1 ZINC000061609600 180443200 /nfs/dbraw/zinc/44/32/00/180443200.db2.gz UELQPQSNNOUIPM-ZDUSSCGKSA-N 1 0 242.326 2.012 10 0 BEAERO COCC[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@@H]1C ZINC000725266790 538096792 /nfs/dbraw/zinc/09/67/92/538096792.db2.gz DUUKKNRHFHCMGK-BFHYXJOUSA-N 1 0 243.391 2.047 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ccno1 ZINC000616596831 350637814 /nfs/dbraw/zinc/63/78/14/350637814.db2.gz IMLSKYOQQHXPHS-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ccc(N)nc1 ZINC000616596817 350637984 /nfs/dbraw/zinc/63/79/84/350637984.db2.gz IEJVXCCXYYFAPX-LBPRGKRZSA-N 1 0 249.358 2.056 10 0 BEAERO Cc1noc(-c2cccs2)c1CC[NH3+] ZINC000082533072 180460175 /nfs/dbraw/zinc/46/01/75/180460175.db2.gz DITVTLYVUBJYRA-UHFFFAOYSA-N 1 0 208.286 2.213 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cnco2)CC1 ZINC000616596221 350631623 /nfs/dbraw/zinc/63/16/23/350631623.db2.gz RUJIHGVXBXKRIW-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO CCC(C)(C)[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000725267816 538098796 /nfs/dbraw/zinc/09/87/96/538098796.db2.gz ZWNGVOSGXVOVNK-CHWSQXEVSA-N 1 0 243.391 2.190 10 0 BEAERO CC(=O)Nc1cccc([C@H]2C[N@H+](C)CCCO2)c1 ZINC000616598670 350683624 /nfs/dbraw/zinc/68/36/24/350683624.db2.gz OYTKRZRBELBYOY-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccncc2)C1 ZINC000616599409 350746051 /nfs/dbraw/zinc/74/60/51/350746051.db2.gz YEOANADVBMZYGH-ZDUSSCGKSA-N 1 0 234.343 2.296 10 0 BEAERO c1cc2ccc([C@H]3COCCC[NH2+]3)cc2cn1 ZINC000616599825 350759429 /nfs/dbraw/zinc/75/94/29/350759429.db2.gz QEYMNUGXQATYOL-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1ccc(N)nc1 ZINC000616599165 350726468 /nfs/dbraw/zinc/72/64/68/350726468.db2.gz IEJVXCCXYYFAPX-GFCCVEGCSA-N 1 0 249.358 2.056 10 0 BEAERO COc1ccc(Br)c2c1[C@H]([NH3+])CC2 ZINC000222258605 350767888 /nfs/dbraw/zinc/76/78/88/350767888.db2.gz VILHRYHMNSXHPY-MRVPVSSYSA-N 1 0 242.116 2.404 10 0 BEAERO C[C@H](C(N)=S)[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000251901291 362982298 /nfs/dbraw/zinc/98/22/98/362982298.db2.gz SNEBMEIBHVUGFG-BBBLOLIVSA-N 1 0 214.378 2.172 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccc(CO)c1 ZINC000616599926 350776027 /nfs/dbraw/zinc/77/60/27/350776027.db2.gz ZCAQXIVYBNZVTB-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cccc(N)c1 ZINC000616599966 350777763 /nfs/dbraw/zinc/77/77/63/350777763.db2.gz UBUSVRJYTMVNQA-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO CC(=O)Nc1cccc([C@H]2COCCC[N@H+]2C)c1 ZINC000616600069 350779576 /nfs/dbraw/zinc/77/95/76/350779576.db2.gz ZTMRUMCRKWVLGZ-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ccnc(N)c2)CC1 ZINC000616600419 350780576 /nfs/dbraw/zinc/78/05/76/350780576.db2.gz DYEIPMKTMBAYKW-GFCCVEGCSA-N 1 0 233.359 2.472 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccccc2C(N)=O)CC1 ZINC000616601066 350781347 /nfs/dbraw/zinc/78/13/47/350781347.db2.gz ITXLUCQCORVVLC-LBPRGKRZSA-N 1 0 246.354 2.375 10 0 BEAERO COc1ccc([C@@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616600978 350781397 /nfs/dbraw/zinc/78/13/97/350781397.db2.gz JPKUSMBRMXZAJK-CYBMUJFWSA-N 1 0 248.370 2.223 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccnc(N)c2)CC1 ZINC000616601115 350781795 /nfs/dbraw/zinc/78/17/95/350781795.db2.gz JMZFBTSVNDTBAV-NSHDSACASA-N 1 0 219.332 2.084 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](n2cccn2)CC1 ZINC000616601522 350782252 /nfs/dbraw/zinc/78/22/52/350782252.db2.gz MBYMSZBYOZNQIU-LBPRGKRZSA-N 1 0 207.321 2.319 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cnno2)CC1 ZINC000616601329 350782471 /nfs/dbraw/zinc/78/24/71/350782471.db2.gz QAGNEYOZVNXSGO-JTQLQIEISA-N 1 0 223.320 2.438 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2ccncn2)C1 ZINC000616601687 350786580 /nfs/dbraw/zinc/78/65/80/350786580.db2.gz FAYPKZUZXWGNND-NSHDSACASA-N 1 0 205.305 2.066 10 0 BEAERO c1cc2cc([C@H]3CCC[NH2+]CC3)ccc2nn1 ZINC000616601845 350787516 /nfs/dbraw/zinc/78/75/16/350787516.db2.gz NRNCGRVFFOSSMX-NSHDSACASA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cc(N)n[nH]2)CC1 ZINC000616602881 350788112 /nfs/dbraw/zinc/78/81/12/350788112.db2.gz UEKKNUSUCDJBOZ-JTQLQIEISA-N 1 0 236.363 2.190 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616603727 350790145 /nfs/dbraw/zinc/79/01/45/350790145.db2.gz HBBKGAKACYEZOO-NSHDSACASA-N 1 0 207.321 2.388 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cc(N)n[nH]2)CC1 ZINC000616602167 350791007 /nfs/dbraw/zinc/79/10/07/350791007.db2.gz UEKKNUSUCDJBOZ-SNVBAGLBSA-N 1 0 236.363 2.190 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](n2cccn2)C1 ZINC000616604299 350792506 /nfs/dbraw/zinc/79/25/06/350792506.db2.gz LEBIFFBSXJPKPF-LBPRGKRZSA-N 1 0 207.321 2.319 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H](n2ccc(N)n2)C1 ZINC000616604447 350793624 /nfs/dbraw/zinc/79/36/24/350793624.db2.gz OZODJPRMMZFHJB-NSHDSACASA-N 1 0 236.363 2.121 10 0 BEAERO CNc1ccccc1[C@@H]1CCCC[N@H+](CCO)C1 ZINC000616604987 350794186 /nfs/dbraw/zinc/79/41/86/350794186.db2.gz ITFLBCWKMCGXPI-CYBMUJFWSA-N 1 0 248.370 2.290 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2conn2)C1 ZINC000616605368 350795071 /nfs/dbraw/zinc/79/50/71/350795071.db2.gz ZKGCHSVBZFGLNI-JTQLQIEISA-N 1 0 209.293 2.048 10 0 BEAERO OCc1ccccc1[C@@H]1CCC[NH2+]CC1 ZINC000616603929 350795735 /nfs/dbraw/zinc/79/57/35/350795735.db2.gz YJOQJQLPRVNDBG-LLVKDONJSA-N 1 0 205.301 2.036 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccc(N)nc1 ZINC000616606623 350798179 /nfs/dbraw/zinc/79/81/79/350798179.db2.gz CZFRSXISIAAMAB-LLVKDONJSA-N 1 0 219.332 2.430 10 0 BEAERO CC[N@@H+]1CCC[C@H]1c1ccc(CO)cc1 ZINC000616606785 350798281 /nfs/dbraw/zinc/79/82/81/350798281.db2.gz JJXLGOHMVHDGFQ-ZDUSSCGKSA-N 1 0 205.301 2.336 10 0 BEAERO C[N@@H+]1CCC[C@H]1c1cccc2ccnnc21 ZINC000616606953 350798829 /nfs/dbraw/zinc/79/88/29/350798829.db2.gz MYFZLBCPWQPGJW-LBPRGKRZSA-N 1 0 213.284 2.397 10 0 BEAERO CCn1c(C)nnc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177546974 366008110 /nfs/dbraw/zinc/00/81/10/366008110.db2.gz IZTZMHDRQWWYIK-CHWSQXEVSA-N 1 0 248.374 2.228 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ncccn2)CC1 ZINC000616610608 350806356 /nfs/dbraw/zinc/80/63/56/350806356.db2.gz NDJDCUIBCORGNJ-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO C[N@@H+]1CC[C@H](c2cc3ccccc3nn2)C1 ZINC000616609847 350807754 /nfs/dbraw/zinc/80/77/54/350807754.db2.gz DROBPISLOLYALC-NSHDSACASA-N 1 0 213.284 2.049 10 0 BEAERO CNc1cccc([C@H]2CCCC[N@@H+]2CCO)c1 ZINC000616614469 350832543 /nfs/dbraw/zinc/83/25/43/350832543.db2.gz PSHGSZLTDHAUEJ-CQSZACIVSA-N 1 0 234.343 2.248 10 0 BEAERO CSC(C)(C)[C@@H]([NH3+])c1ccncc1F ZINC000306681425 350838377 /nfs/dbraw/zinc/83/83/77/350838377.db2.gz OBXPUNJTRRQCTB-VIFPVBQESA-N 1 0 214.309 2.362 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](Nc2ccccn2)C1 ZINC000616617399 350868053 /nfs/dbraw/zinc/86/80/53/350868053.db2.gz VRIQDPHXNJIQTF-GFCCVEGCSA-N 1 0 219.332 2.366 10 0 BEAERO c1cc2cc([C@@H]3CCCC[NH2+]3)ccc2nn1 ZINC000616615000 350843408 /nfs/dbraw/zinc/84/34/08/350843408.db2.gz CGELEEHTBIPJEC-LBPRGKRZSA-N 1 0 213.284 2.444 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cc(N)n[nH]1 ZINC000616615519 350847598 /nfs/dbraw/zinc/84/75/98/350847598.db2.gz OWVQHZOGTHWHFT-JTQLQIEISA-N 1 0 222.336 2.148 10 0 BEAERO C[NH+](C)C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000306700524 350848684 /nfs/dbraw/zinc/84/86/84/350848684.db2.gz FOMPSHSWRMNRHU-SNVBAGLBSA-N 1 0 211.692 2.205 10 0 BEAERO C[NH2+]C1(C(=O)c2sccc2C)CCC1 ZINC000306706286 350853293 /nfs/dbraw/zinc/85/32/93/350853293.db2.gz PXUYLUGMLJREHG-UHFFFAOYSA-N 1 0 209.314 2.381 10 0 BEAERO [NH3+]CCN1CCCC[C@H]1c1cccc(F)c1 ZINC000616616213 350854697 /nfs/dbraw/zinc/85/46/97/350854697.db2.gz LLZVRCMKWVYZQQ-ZDUSSCGKSA-N 1 0 222.307 2.311 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616617094 350861137 /nfs/dbraw/zinc/86/11/37/350861137.db2.gz ICQNVSNPKVHALT-GFCCVEGCSA-N 1 0 246.354 2.373 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cccc3ccnnc32)C1 ZINC000616617228 350863407 /nfs/dbraw/zinc/86/34/07/350863407.db2.gz KBOXRSKTXVZUNZ-LBPRGKRZSA-N 1 0 227.311 2.439 10 0 BEAERO CSCC[N@@H+]1C[C@@H]2CC[C@H](F)[C@@H]2C1 ZINC000306676200 350828349 /nfs/dbraw/zinc/82/83/49/350828349.db2.gz VLTSEPDCOYMPMP-AEJSXWLSSA-N 1 0 203.326 2.029 10 0 BEAERO C[C@H]1CCC[N@H+](C[C@H]2CCCC2=O)CC1 ZINC000251612417 350899412 /nfs/dbraw/zinc/89/94/12/350899412.db2.gz CEBYJVCTJCGBPQ-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO CNC(=[NH2+])Nc1ccccc1Br ZINC000052069635 350900951 /nfs/dbraw/zinc/90/09/51/350900951.db2.gz XPLGRFFYTNBOSR-UHFFFAOYSA-N 1 0 228.093 2.015 10 0 BEAERO FC(F)C1CC([NH2+][C@@H]2CC[C@H]3C[C@H]32)C1 ZINC000306735423 350904703 /nfs/dbraw/zinc/90/47/03/350904703.db2.gz WBSGUZXQLPENOB-CQPCXZHNSA-N 1 0 201.260 2.418 10 0 BEAERO C[C@H]1C[N@H+](C[C@H]2CCCCS2)CCC1=O ZINC000251864381 350905469 /nfs/dbraw/zinc/90/54/69/350905469.db2.gz STEQYIPNRWLEJQ-WDEREUQCSA-N 1 0 227.373 2.183 10 0 BEAERO [NH3+]Cc1nccn1Cc1sccc1Cl ZINC000306736166 350907331 /nfs/dbraw/zinc/90/73/31/350907331.db2.gz XCKGWUBFDVGQKP-UHFFFAOYSA-N 1 0 227.720 2.105 10 0 BEAERO C[C@H]1C[C@H](C(=O)[C@@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000253168315 350919736 /nfs/dbraw/zinc/91/97/36/350919736.db2.gz ZQYKQLLDCDTHKI-KXNHARMFSA-N 1 0 209.333 2.237 10 0 BEAERO c1n[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000616618627 350925272 /nfs/dbraw/zinc/92/52/72/350925272.db2.gz FQNZQEYCYNABIE-ZDUSSCGKSA-N 1 0 242.326 2.184 10 0 BEAERO c1onnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000616618901 350926011 /nfs/dbraw/zinc/92/60/11/350926011.db2.gz VKQVXLQEITXJHN-ZDUSSCGKSA-N 1 0 243.310 2.449 10 0 BEAERO CC(C)[NH+]1CCC(c2ccnc(N)c2)CC1 ZINC000616618978 350926134 /nfs/dbraw/zinc/92/61/34/350926134.db2.gz BCXQNRAUOJFONT-UHFFFAOYSA-N 1 0 219.332 2.082 10 0 BEAERO CC(C)[NH+]1CCC(c2cncnc2)CC1 ZINC000616619026 350926199 /nfs/dbraw/zinc/92/61/99/350926199.db2.gz GHBMNFCOTLEPBZ-UHFFFAOYSA-N 1 0 205.305 2.064 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@H]1c1conn1 ZINC000616620066 350931863 /nfs/dbraw/zinc/93/18/63/350931863.db2.gz CGDGYEZPPSNMCX-NSHDSACASA-N 1 0 209.293 2.395 10 0 BEAERO C[C@@H]1[C@H]([NH3+])CCN(OCc2ccccc2)[C@@H]1C ZINC000306750511 350934408 /nfs/dbraw/zinc/93/44/08/350934408.db2.gz JBCNMUWCOCFGNK-OUCADQQQSA-N 1 0 234.343 2.176 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccnc(N)c2)C1 ZINC000616617655 350871469 /nfs/dbraw/zinc/87/14/69/350871469.db2.gz AYAMAFQCWCEHQO-LBPRGKRZSA-N 1 0 219.332 2.082 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccc(N)nc2)C1 ZINC000616617728 350873223 /nfs/dbraw/zinc/87/32/23/350873223.db2.gz HFWCJCIFVWPLDE-LBPRGKRZSA-N 1 0 233.359 2.472 10 0 BEAERO C[C@H]1SCC[C@H]1[NH2+]CC1(F)CCC1 ZINC000306715379 350876637 /nfs/dbraw/zinc/87/66/37/350876637.db2.gz SHSCMTZHEGMVPN-RKDXNWHRSA-N 1 0 203.326 2.362 10 0 BEAERO C[C@H]1SCC[C@@H]1[NH2+]CC1(F)CCC1 ZINC000306715376 350876785 /nfs/dbraw/zinc/87/67/85/350876785.db2.gz SHSCMTZHEGMVPN-BDAKNGLRSA-N 1 0 203.326 2.362 10 0 BEAERO CCCNC(=[NH2+])N(C)Cc1ccccc1 ZINC000052036558 350889957 /nfs/dbraw/zinc/88/99/57/350889957.db2.gz DVTXLTBASSXXKP-UHFFFAOYSA-N 1 0 205.305 2.053 10 0 BEAERO [NH3+][C@H](Cc1cncs1)[C@H]1CCCCS1 ZINC000159739868 350990004 /nfs/dbraw/zinc/99/00/04/350990004.db2.gz SZSPRBDIOPSPNX-NXEZZACHSA-N 1 0 228.386 2.299 10 0 BEAERO C[C@@H](C[NH2+]C1CC1)N(C)Cc1ccccc1 ZINC000052417393 350991514 /nfs/dbraw/zinc/99/15/14/350991514.db2.gz YPEMBYBDMNBQNB-LBPRGKRZSA-N 1 0 218.344 2.259 10 0 BEAERO CC1(C(=O)c2sccc2Cl)C[NH2+]C1 ZINC000306768183 350998436 /nfs/dbraw/zinc/99/84/36/350998436.db2.gz DHADPTRPOGWQBK-UHFFFAOYSA-N 1 0 215.705 2.194 10 0 BEAERO CC[N@@H+](Cc1ccccc1)C[C@H](C)C[NH2+]C ZINC000052443724 351001049 /nfs/dbraw/zinc/00/10/49/351001049.db2.gz LKFAZFPQXLOODJ-CYBMUJFWSA-N 1 0 220.360 2.364 10 0 BEAERO CCc1ccccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079510947 351066895 /nfs/dbraw/zinc/06/68/95/351066895.db2.gz KINQKLGNLXRHQI-CQSZACIVSA-N 1 0 232.327 2.330 10 0 BEAERO Cc1nc([C@@H]([NH3+])[C@@H]2CCCS2)cs1 ZINC000306804128 351058770 /nfs/dbraw/zinc/05/87/70/351058770.db2.gz XAOOLJQINMBSKW-DTWKUNHWSA-N 1 0 214.359 2.347 10 0 BEAERO Cn1ncc([C@H]([NH3+])C(C)(C)C)c1Br ZINC000306806705 351059567 /nfs/dbraw/zinc/05/95/67/351059567.db2.gz KPIZLYUVSBNRHI-ZETCQYMHSA-N 1 0 246.152 2.229 10 0 BEAERO Cc1cocc1C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000306810214 351063769 /nfs/dbraw/zinc/06/37/69/351063769.db2.gz TXTKXPNBQFWIRT-GFCCVEGCSA-N 1 0 207.273 2.303 10 0 BEAERO [NH3+][C@H]1CCC[C@](F)(Cc2cncs2)C1 ZINC000159843883 351013144 /nfs/dbraw/zinc/01/31/44/351013144.db2.gz YTJHNMBRPLDPNF-WCBMZHEXSA-N 1 0 214.309 2.295 10 0 BEAERO CC[N@@H+]1CCC[C@H](OC(F)(F)F)CC1 ZINC000616630256 351102576 /nfs/dbraw/zinc/10/25/76/351102576.db2.gz ZWGRANYNCRSMIV-QMMMGPOBSA-N 1 0 211.227 2.397 10 0 BEAERO Cc1ncc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)o1 ZINC000398089636 363001964 /nfs/dbraw/zinc/00/19/64/363001964.db2.gz WWIDHBJFSRBDTK-WCQYABFASA-N 1 0 249.358 2.042 10 0 BEAERO OCCc1ccccc1[C@@H]1CCC[NH2+]CC1 ZINC000616631427 351105300 /nfs/dbraw/zinc/10/53/00/351105300.db2.gz UZVAPVDCJBUGSV-GFCCVEGCSA-N 1 0 219.328 2.079 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2cccc(C(N)=O)c2)CC1 ZINC000616626820 351107281 /nfs/dbraw/zinc/10/72/81/351107281.db2.gz CCUPFJGDCUYSNS-LBPRGKRZSA-N 1 0 246.354 2.375 10 0 BEAERO CC[N@@H+]1CCN[C@@H](c2ccc3ncccc3c2)C1 ZINC000616632729 351113681 /nfs/dbraw/zinc/11/36/81/351113681.db2.gz YQUXAZBYXPULHN-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(=O)Nc1ccccc1[C@@H]1CCC[N@H+]1C ZINC000616634640 351117757 /nfs/dbraw/zinc/11/77/57/351117757.db2.gz WCTORZKWQZZMAB-ZDUSSCGKSA-N 1 0 218.300 2.412 10 0 BEAERO CCOc1ccccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510163 351068134 /nfs/dbraw/zinc/06/81/34/351068134.db2.gz VEMRICORMWOPEM-AWEZNQCLSA-N 1 0 248.326 2.166 10 0 BEAERO C[C@H](c1ccccc1)N(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079516983 351070291 /nfs/dbraw/zinc/07/02/91/351070291.db2.gz WJRDIPXVTNLFEQ-DOMZBBRYSA-N 1 0 246.354 2.348 10 0 BEAERO CCC[N@@H+](CC(=O)NC(C)(C)C)CC1CC1 ZINC000052890813 351075530 /nfs/dbraw/zinc/07/55/30/351075530.db2.gz ZVUMCMXQLPKPFY-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO Cc1ccc(C[N@@H+](C)CCOC(C)C)o1 ZINC000052927532 351079464 /nfs/dbraw/zinc/07/94/64/351079464.db2.gz ZOUAFBGOFFAECP-UHFFFAOYSA-N 1 0 211.305 2.445 10 0 BEAERO CC(C)(C)c1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000725268218 538100014 /nfs/dbraw/zinc/10/00/14/538100014.db2.gz PDBZWBKHHSWGAZ-HIFRSBDPSA-N 1 0 232.371 2.388 10 0 BEAERO c1cc2nnccc2c([C@H]2CCCC[NH2+]2)c1 ZINC000616625971 351086600 /nfs/dbraw/zinc/08/66/00/351086600.db2.gz NLZPJVSTUNDLBT-GFCCVEGCSA-N 1 0 213.284 2.444 10 0 BEAERO CC[N@@H+]1CCCCC[C@@H]1c1cncnc1 ZINC000616623581 351089598 /nfs/dbraw/zinc/08/95/98/351089598.db2.gz ODPIIZDRDJWFEK-GFCCVEGCSA-N 1 0 205.305 2.414 10 0 BEAERO COc1cccc([C@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616627694 351095799 /nfs/dbraw/zinc/09/57/99/351095799.db2.gz MUSOODBVNLKBOU-AWEZNQCLSA-N 1 0 248.370 2.223 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccc(N)nc2)CC1 ZINC000616627645 351095946 /nfs/dbraw/zinc/09/59/46/351095946.db2.gz JYQCRPOKRNNWGJ-NSHDSACASA-N 1 0 219.332 2.084 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ncc[nH]2)CC1 ZINC000616627790 351096758 /nfs/dbraw/zinc/09/67/58/351096758.db2.gz NPMMRSFVBMPJPL-NSHDSACASA-N 1 0 207.321 2.388 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2ccccc2N)C1 ZINC000616629062 351099524 /nfs/dbraw/zinc/09/95/24/351099524.db2.gz NWSMVEONUZYCAH-NSHDSACASA-N 1 0 204.317 2.468 10 0 BEAERO [NH3+]Cc1c(F)ccc(OC(F)F)c1F ZINC000306849329 351159262 /nfs/dbraw/zinc/15/92/62/351159262.db2.gz NQWMLIJAQAWBHT-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO c1ccc2c(c1)ccnc2[C@@H]1C[NH2+]CCCO1 ZINC000616653585 351193489 /nfs/dbraw/zinc/19/34/89/351193489.db2.gz ZYTLNWUPTGJJGH-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO c1cc2ccc([C@@H]3COCCC[NH2+]3)cc2cn1 ZINC000616647977 351174823 /nfs/dbraw/zinc/17/48/23/351174823.db2.gz QEYMNUGXQATYOL-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO c1cnc2cccc([C@H]3C[NH2+]CCCO3)c2c1 ZINC000616650953 351181222 /nfs/dbraw/zinc/18/12/22/351181222.db2.gz HOWXKIMECKOKLF-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCCO[C@@H](c2ccc(F)cc2)C1 ZINC000616651638 351183517 /nfs/dbraw/zinc/18/35/17/351183517.db2.gz IAJNNYFDADHSQB-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO COc1cccc([C@@H]2C[N@H+](C)CCCO2)c1 ZINC000616650434 351184394 /nfs/dbraw/zinc/18/43/94/351184394.db2.gz AAOAICJUNNCNKR-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccncn2)C1 ZINC000616652608 351186304 /nfs/dbraw/zinc/18/63/04/351186304.db2.gz HIJGPLJLOICJFK-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2ccccc2N)C1 ZINC000616652835 351186964 /nfs/dbraw/zinc/18/69/64/351186964.db2.gz LDWCMCVUKGKZQO-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cccnc2N)C1 ZINC000616653445 351187379 /nfs/dbraw/zinc/18/73/79/351187379.db2.gz PHAMUXCZQMWTOW-GFCCVEGCSA-N 1 0 249.358 2.226 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2ccccc2OC)C1 ZINC000616651813 351188769 /nfs/dbraw/zinc/18/87/69/351188769.db2.gz AERUUCTXINANDP-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2ccc(OC)cc2)C1 ZINC000616652048 351189776 /nfs/dbraw/zinc/18/97/76/351189776.db2.gz CWJWFLJQHUOSCT-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CNc1ccc([C@H]2C[N@H+](C)CCCO2)cc1 ZINC000616653276 351189994 /nfs/dbraw/zinc/18/99/94/351189994.db2.gz WYMRAYJRUWHNEC-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1cccc2cccnc21 ZINC000616636758 351128750 /nfs/dbraw/zinc/12/87/50/351128750.db2.gz BZBIGNDQDVSZFI-CQSZACIVSA-N 1 0 241.338 2.201 10 0 BEAERO CCN1CCOC[C@@H]1c1ccc2nnccc2c1 ZINC000616636996 351131101 /nfs/dbraw/zinc/13/11/01/351131101.db2.gz JCVYKXVNCWVJEA-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO O=C1CCC([N@@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000306826905 351136757 /nfs/dbraw/zinc/13/67/57/351136757.db2.gz AOMHJFGIKQMOMQ-NSHDSACASA-N 1 0 207.317 2.230 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]Cc2cnn[nH]2)CC(C)(C)C1 ZINC000398405295 351137573 /nfs/dbraw/zinc/13/75/73/351137573.db2.gz OSTIKRSZPIKDPV-NXEZZACHSA-N 1 0 222.336 2.109 10 0 BEAERO CN1CCOC[C@@H]1c1cccc2ccncc21 ZINC000616638490 351139979 /nfs/dbraw/zinc/13/99/79/351139979.db2.gz VFABVTJNKBETPC-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO Nc1ncccc1[C@H]1CNc2ccccc2C1 ZINC000616669283 351228970 /nfs/dbraw/zinc/22/89/70/351228970.db2.gz GGRXGDGHCLJRCF-LLVKDONJSA-N 1 0 225.295 2.416 10 0 BEAERO C[NH2+][C@@H]1Cc2ccccc2N(C(C)C)C1 ZINC000616670910 351230715 /nfs/dbraw/zinc/23/07/15/351230715.db2.gz BNLZODPEJJJQOS-GFCCVEGCSA-N 1 0 204.317 2.046 10 0 BEAERO Nc1ccc([C@@H]2CNc3ccccc3C2)cn1 ZINC000616670914 351231191 /nfs/dbraw/zinc/23/11/91/351231191.db2.gz UJHFTVOTJHXKFB-LBPRGKRZSA-N 1 0 225.295 2.246 10 0 BEAERO C[C@H]1C[NH+]=C(NCc2ccsc2)S1 ZINC000063154068 351263645 /nfs/dbraw/zinc/26/36/45/351263645.db2.gz VTCSNQUDGRJBIU-ZETCQYMHSA-N 1 0 212.343 2.329 10 0 BEAERO CCN1CC[C@H](CC[NH3+])c2ccccc21 ZINC000616676629 351241616 /nfs/dbraw/zinc/24/16/16/351241616.db2.gz YGWHDXCRPWXBHF-NSHDSACASA-N 1 0 204.317 2.349 10 0 BEAERO C[C@H]1CSC(NCc2ccsc2)=[NH+]1 ZINC000063154072 351263801 /nfs/dbraw/zinc/26/38/01/351263801.db2.gz VNUDMNCSAOSJRS-ZETCQYMHSA-N 1 0 212.343 2.329 10 0 BEAERO CCN1CCO[C@@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616677693 351244446 /nfs/dbraw/zinc/24/44/46/351244446.db2.gz QMMVYIPRMDTUPD-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)(C)N1C[C@@H](C[NH3+])Nc2ccccc21 ZINC000616680943 351248229 /nfs/dbraw/zinc/24/82/29/351248229.db2.gz JRKZBCPYTXWQFM-SNVBAGLBSA-N 1 0 219.332 2.044 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccnnc1 ZINC000616679008 351249168 /nfs/dbraw/zinc/24/91/68/351249168.db2.gz IIZVNMHIXVINMQ-CQSZACIVSA-N 1 0 225.295 2.054 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccnn1 ZINC000616679425 351250319 /nfs/dbraw/zinc/25/03/19/351250319.db2.gz VJRKAJYKUUGBOV-OAHLLOKOSA-N 1 0 239.322 2.444 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cnoc2)CC1 ZINC000616687449 351258269 /nfs/dbraw/zinc/25/82/69/351258269.db2.gz YVUSEKNADTVULX-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cccc(N)n1 ZINC000616656934 351197156 /nfs/dbraw/zinc/19/71/56/351197156.db2.gz QIPLVMUOJWVFBT-LBPRGKRZSA-N 1 0 249.358 2.226 10 0 BEAERO c1cc2ccncc2c([C@H]2CCOCC[NH2+]2)c1 ZINC000616657657 351198960 /nfs/dbraw/zinc/19/89/60/351198960.db2.gz GPYSXNLWQROLMK-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO c1cc2ccncc2c([C@@H]2CCOCC[NH2+]2)c1 ZINC000616657686 351199049 /nfs/dbraw/zinc/19/90/49/351199049.db2.gz GPYSXNLWQROLMK-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2cc3ccccc3cn2)C1 ZINC000616658105 351200399 /nfs/dbraw/zinc/20/03/99/351200399.db2.gz JDOQZAPJBKKHSX-CQSZACIVSA-N 1 0 242.322 2.280 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1ccc2nnccc2c1 ZINC000616655619 351200677 /nfs/dbraw/zinc/20/06/77/351200677.db2.gz IFMJRECRWJBSIB-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccnc1 ZINC000616656387 351202302 /nfs/dbraw/zinc/20/23/02/351202302.db2.gz UORMRAJELLFIQR-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cccc(N)n1 ZINC000616656207 351202702 /nfs/dbraw/zinc/20/27/02/351202702.db2.gz QIPLVMUOJWVFBT-GFCCVEGCSA-N 1 0 249.358 2.226 10 0 BEAERO c1cnc2ccc([C@@H]3CC[NH2+]CCO3)cc2c1 ZINC000616663412 351215411 /nfs/dbraw/zinc/21/54/11/351215411.db2.gz HNZKPKGLEZKMPL-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO F[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664715 351220710 /nfs/dbraw/zinc/22/07/10/351220710.db2.gz UHXXYKYVWCCDPQ-LBPRGKRZSA-N 1 0 209.264 2.205 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cocn2)CC1 ZINC000616666277 351225567 /nfs/dbraw/zinc/22/55/67/351225567.db2.gz MIRYJVBNZPWIBQ-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccncn2)CC1 ZINC000616666391 351226650 /nfs/dbraw/zinc/22/66/50/351226650.db2.gz QPHXHMRNLMLPAI-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CCOC(=O)N1c2ccccc2CC[C@@H]1CC[NH3+] ZINC000616668851 351227938 /nfs/dbraw/zinc/22/79/38/351227938.db2.gz XYRXEULEKUDHOM-GFCCVEGCSA-N 1 0 248.326 2.313 10 0 BEAERO Clc1ccc([C@@H]2C[C@@H]3C[NH2+][C@H]2C3)cn1 ZINC000028455496 180584616 /nfs/dbraw/zinc/58/46/16/180584616.db2.gz ISACHQOCISQFPP-HGNGGELXSA-N 1 0 208.692 2.200 10 0 BEAERO Clc1ccc2c(CN3CC[NH2+]CC3)c[nH]c2c1 ZINC000071487525 180585356 /nfs/dbraw/zinc/58/53/56/180585356.db2.gz ZPZCTOVMFHWEOE-UHFFFAOYSA-N 1 0 249.745 2.227 10 0 BEAERO C[C@@H](NC(N)=[NH2+])c1ccc(F)c(Cl)c1 ZINC000306899402 351310561 /nfs/dbraw/zinc/31/05/61/351310561.db2.gz DKOMMSNAAQQBAZ-RXMQYKEDSA-N 1 0 215.659 2.023 10 0 BEAERO [NH3+][C@@H]1COc2c1cc(Cl)c(F)c2F ZINC000306911673 351323779 /nfs/dbraw/zinc/32/37/79/351323779.db2.gz LEEGVWHECZVTHM-RXMQYKEDSA-N 1 0 205.591 2.010 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@]2(C)C[C@H]2F)cs1 ZINC000306879706 351271044 /nfs/dbraw/zinc/27/10/44/351271044.db2.gz FCRNBTASBNUTDY-HRDYMLBCSA-N 1 0 200.282 2.199 10 0 BEAERO CC[C@H]([NH3+])C(=O)c1ccc(C)c(F)c1F ZINC000231741118 351278974 /nfs/dbraw/zinc/27/89/74/351278974.db2.gz YXRODIDPFFEMNB-QMMMGPOBSA-N 1 0 213.227 2.193 10 0 BEAERO Cc1ccc([C@](C)(F)C[NH3+])c(F)c1F ZINC000231740307 351279320 /nfs/dbraw/zinc/27/93/20/351279320.db2.gz MAFFWFFWEHJPQU-SNVBAGLBSA-N 1 0 203.207 2.417 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000168294082 351368698 /nfs/dbraw/zinc/36/86/98/351368698.db2.gz JYDSJHXENCLIGB-SNVBAGLBSA-N 1 0 245.681 2.432 10 0 BEAERO CC[C@@H]([NH2+]CCC(=O)OC)c1ccccc1F ZINC000122481361 363024386 /nfs/dbraw/zinc/02/43/86/363024386.db2.gz ODXHZSDZZVTSJG-GFCCVEGCSA-N 1 0 239.290 2.430 10 0 BEAERO C[C@@](F)(c1ccns1)[C@H]1CCC[NH2+]1 ZINC000306983009 351399577 /nfs/dbraw/zinc/39/95/77/351399577.db2.gz KBTWKOKYDJOFTA-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO CCCCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000034937518 351352485 /nfs/dbraw/zinc/35/24/85/351352485.db2.gz CSPWKDJVLHIJQL-SNVBAGLBSA-N 1 0 214.353 2.069 10 0 BEAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC ZINC000034938599 351353102 /nfs/dbraw/zinc/35/31/02/351353102.db2.gz IILZUOQZSKQACI-WDEREUQCSA-N 1 0 214.353 2.069 10 0 BEAERO CN1c2ccc([C@@H]([NH3+])C(C)(C)C)cc2CC1=O ZINC000034940672 351357149 /nfs/dbraw/zinc/35/71/49/351357149.db2.gz JGIHHFRNNOIGLQ-CYBMUJFWSA-N 1 0 232.327 2.251 10 0 BEAERO Cn1cc([C@H]([NH3+])c2c(F)cccc2Cl)cn1 ZINC000034957706 351362785 /nfs/dbraw/zinc/36/27/85/351362785.db2.gz CPJICUNYISBSHU-NSHDSACASA-N 1 0 239.681 2.261 10 0 BEAERO Cn1cc([C@@H]([NH3+])Cc2ccccc2Cl)cn1 ZINC000034957635 351363003 /nfs/dbraw/zinc/36/30/03/351363003.db2.gz WVSDNMHVQMSFLG-LBPRGKRZSA-N 1 0 235.718 2.316 10 0 BEAERO [NH3+]CCNc1cc(Cl)ccc1Br ZINC000307029029 351430856 /nfs/dbraw/zinc/43/08/56/351430856.db2.gz NLBWBQBWJCNTOZ-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1c(F)cccc1Br ZINC000307038652 351436452 /nfs/dbraw/zinc/43/64/52/351436452.db2.gz HIQCLHHBGVFTLI-XNCJUZBTSA-N 1 0 230.080 2.403 10 0 BEAERO CC(C)(C)c1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000725268217 538100220 /nfs/dbraw/zinc/10/02/20/538100220.db2.gz PDBZWBKHHSWGAZ-DZGCQCFKSA-N 1 0 232.371 2.388 10 0 BEAERO Brc1ccc(CNC2=[NH+]CCC2)o1 ZINC000307057942 351458026 /nfs/dbraw/zinc/45/80/26/351458026.db2.gz ARDJJAJCFYMVAG-UHFFFAOYSA-N 1 0 243.104 2.324 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1cccc(F)c1Br ZINC000307067253 351462434 /nfs/dbraw/zinc/46/24/34/351462434.db2.gz KPMDBUXAPBYLNI-HTRCEHHLSA-N 1 0 230.080 2.403 10 0 BEAERO Cc1cc(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)sn1 ZINC000307065132 351462775 /nfs/dbraw/zinc/46/27/75/351462775.db2.gz RAWTUENEUPNRAX-RKDXNWHRSA-N 1 0 224.329 2.152 10 0 BEAERO Brc1ccoc1[C@@H]1C=CC[NH2+]1 ZINC000307003186 351413747 /nfs/dbraw/zinc/41/37/47/351413747.db2.gz DDJSJILZDDOUKA-ZETCQYMHSA-N 1 0 214.062 2.243 10 0 BEAERO CC1([NH2+]Cc2cccc(Br)n2)CC1 ZINC000228833559 351418041 /nfs/dbraw/zinc/41/80/41/351418041.db2.gz DKCVCMRNOCNKOO-UHFFFAOYSA-N 1 0 241.132 2.486 10 0 BEAERO Cc1cscc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000307012671 351420276 /nfs/dbraw/zinc/42/02/76/351420276.db2.gz LDWPFQGHTFAEGY-PSASIEDQSA-N 1 0 210.346 2.230 10 0 BEAERO Cc1c[nH+]c(N[C@H](C)C(F)F)c(N)c1 ZINC000307012236 351420478 /nfs/dbraw/zinc/42/04/78/351420478.db2.gz KRJMEOPHNIYWQN-ZCFIWIBFSA-N 1 0 201.220 2.038 10 0 BEAERO [NH3+]CC1(c2ncc(Cl)cc2Cl)CC1 ZINC000307017641 351422736 /nfs/dbraw/zinc/42/27/36/351422736.db2.gz SMAPXSYHUNKWBN-UHFFFAOYSA-N 1 0 217.099 2.379 10 0 BEAERO Clc1ncc(CS[C@H]2CC[NH2+]C2)s1 ZINC000095070283 180601888 /nfs/dbraw/zinc/60/18/88/180601888.db2.gz GDIOZFMIXRRGII-LURJTMIESA-N 1 0 234.777 2.392 10 0 BEAERO Clc1ncc(COCC2CC[NH2+]CC2)s1 ZINC000095070221 180601534 /nfs/dbraw/zinc/60/15/34/180601534.db2.gz DYKFSCXLCGYRCY-UHFFFAOYSA-N 1 0 246.763 2.313 10 0 BEAERO CCN(C(=[NH2+])NCc1ccccc1)C1CC1 ZINC000307168069 351539117 /nfs/dbraw/zinc/53/91/17/351539117.db2.gz UBQZMMLJEBCWDR-UHFFFAOYSA-N 1 0 217.316 2.195 10 0 BEAERO Cc1ccnc(C2([NH3+])CCC2)c1Br ZINC000307168515 351542682 /nfs/dbraw/zinc/54/26/82/351542682.db2.gz VIAKFKJPSYTSPJ-UHFFFAOYSA-N 1 0 241.132 2.490 10 0 BEAERO C[C@H](C(N)=S)[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000252107725 363069266 /nfs/dbraw/zinc/06/92/66/363069266.db2.gz HHHHTPQUWZYPOS-OPRDCNLKSA-N 1 0 214.378 2.172 10 0 BEAERO [NH3+][C@@H](c1occc1Br)C1CSC1 ZINC000404899530 363071659 /nfs/dbraw/zinc/07/16/59/363071659.db2.gz AGQYVNAGZJQGGA-SSDOTTSWSA-N 1 0 248.145 2.405 10 0 BEAERO Cc1ccsc1-c1nc([C@@H](C)[NH3+])c[nH]1 ZINC000307191831 351593372 /nfs/dbraw/zinc/59/33/72/351593372.db2.gz BRBRPCCEIOEMOM-SSDOTTSWSA-N 1 0 207.302 2.466 10 0 BEAERO CC(C)=C[C@@H]([NH3+])c1cnn(C)c1Br ZINC000307222991 351649286 /nfs/dbraw/zinc/64/92/86/351649286.db2.gz JUENHHXHXDFHTH-MRVPVSSYSA-N 1 0 244.136 2.149 10 0 BEAERO CC[C@@H]1CSC(N[C@@H]2CCS[C@@H]2C)=[NH+]1 ZINC000307220062 351620706 /nfs/dbraw/zinc/62/07/06/351620706.db2.gz OPQCEAMDAWSCIT-IWSPIJDZSA-N 1 0 230.402 2.351 10 0 BEAERO [NH3+][C@H]1CCC[C@](F)(c2cscn2)C1 ZINC000307253528 351780906 /nfs/dbraw/zinc/78/09/06/351780906.db2.gz VMYPPJXNMFWWBG-IONNQARKSA-N 1 0 200.282 2.209 10 0 BEAERO Cn1cc(C[C@H]([NH3+])c2ccc(Cl)cc2)cn1 ZINC000050542353 180654207 /nfs/dbraw/zinc/65/42/07/180654207.db2.gz ZUEKSCCGCKHBPO-LBPRGKRZSA-N 1 0 235.718 2.316 10 0 BEAERO [NH3+][C@H]1CC[C@H]1Cc1coc(Br)c1 ZINC000307284181 351848798 /nfs/dbraw/zinc/84/87/98/351848798.db2.gz MYSWEZUGBVZTGC-YUMQZZPRSA-N 1 0 230.105 2.322 10 0 BEAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C1CCCC1 ZINC000637991065 351865158 /nfs/dbraw/zinc/86/51/58/351865158.db2.gz MGDFICXXWRLHAD-YPMHNXCESA-N 1 0 240.391 2.445 10 0 BEAERO Cc1nsc([C@@]2([NH3+])CCC[C@H](C)C2)n1 ZINC000307303038 351928918 /nfs/dbraw/zinc/92/89/18/351928918.db2.gz FOUMACPHNXICBC-OIBJUYFYSA-N 1 0 211.334 2.211 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)Cc1cnccn1)C(C)C ZINC000336734991 351903877 /nfs/dbraw/zinc/90/38/77/351903877.db2.gz LJNCURSUBQHFDE-WCQYABFASA-N 1 0 221.348 2.432 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638036173 351916936 /nfs/dbraw/zinc/91/69/36/351916936.db2.gz AWVBUEDZBICPIK-WOPDTQHZSA-N 1 0 226.364 2.055 10 0 BEAERO Nc1c(F)cccc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000638084978 351961184 /nfs/dbraw/zinc/96/11/84/351961184.db2.gz SIMIJIYNWMDITN-SKDRFNHKSA-N 1 0 220.291 2.392 10 0 BEAERO Cn1cc(S[C@H]2CCCCC[C@@H]2C[NH3+])cn1 ZINC000042406424 180664260 /nfs/dbraw/zinc/66/42/60/180664260.db2.gz AXUDPUATQKZWGW-PWSUYJOCSA-N 1 0 239.388 2.420 10 0 BEAERO Cc1ccnc(C(C)(C)C[NH3+])c1Br ZINC000307315239 351990497 /nfs/dbraw/zinc/99/04/97/351990497.db2.gz XBVWLEGVBHZDRQ-UHFFFAOYSA-N 1 0 243.148 2.389 10 0 BEAERO Cn1cc(S[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000042406420 180664542 /nfs/dbraw/zinc/66/45/42/180664542.db2.gz XKEZGOUNHQHTFX-ONGXEEELSA-N 1 0 225.361 2.030 10 0 BEAERO C1CC1NC1=[NH+][C@H](C2CCCC2)CS1 ZINC000307330617 352032203 /nfs/dbraw/zinc/03/22/03/352032203.db2.gz NTTNRCALIIWVAC-JTQLQIEISA-N 1 0 210.346 2.400 10 0 BEAERO CC(C)C[C@@H](c1ccc[nH]1)N1CC[NH2+]CC1 ZINC000076610912 187599032 /nfs/dbraw/zinc/59/90/32/187599032.db2.gz VRJIMKPIBUYGAA-ZDUSSCGKSA-N 1 0 221.348 2.007 10 0 BEAERO F[C@@H](c1cscn1)[C@H]1CCCC[NH2+]1 ZINC000307347906 352102888 /nfs/dbraw/zinc/10/28/88/352102888.db2.gz NKPAKBBAZAXTPV-VXNVDRBHSA-N 1 0 200.282 2.296 10 0 BEAERO Cc1ccc(CNC(=O)C[NH2+]C2CCCC2)cc1 ZINC000037386914 187596757 /nfs/dbraw/zinc/59/67/57/187596757.db2.gz RLIJCHSQWSCBRF-UHFFFAOYSA-N 1 0 246.354 2.143 10 0 BEAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CCSC2)SC1 ZINC000224675618 363117696 /nfs/dbraw/zinc/11/76/96/363117696.db2.gz FVLHYXLDYYZLQJ-HLTSFMKQSA-N 1 0 203.376 2.038 10 0 BEAERO CC(C)Cn1c2cnccc2nc1[C@H]1CC[NH2+]C1 ZINC000085347875 187625524 /nfs/dbraw/zinc/62/55/24/187625524.db2.gz PYXXLYPXEQYXHR-NSHDSACASA-N 1 0 244.342 2.164 10 0 BEAERO OCC[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000098126661 187629419 /nfs/dbraw/zinc/62/94/19/187629419.db2.gz RFTROXCBYRMRDZ-UHFFFAOYSA-N 1 0 241.334 2.478 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000236859583 187630563 /nfs/dbraw/zinc/63/05/63/187630563.db2.gz YZBKRLZUYFWLTI-GFCCVEGCSA-N 1 0 248.374 2.272 10 0 BEAERO Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)nc(C(C)C)n1 ZINC000229606585 187641795 /nfs/dbraw/zinc/64/17/95/187641795.db2.gz MTCGMIWEMAINSG-NWDGAFQWSA-N 1 0 248.374 2.461 10 0 BEAERO CC(=O)N1CCCc2c1cccc2C(C)(C)[NH3+] ZINC000725270599 538102466 /nfs/dbraw/zinc/10/24/66/538102466.db2.gz NFQNYYKQKSHJCY-UHFFFAOYSA-N 1 0 232.327 2.180 10 0 BEAERO CC(C)n1cc(C(F)F)c(C2([NH3+])CC2)n1 ZINC000725270774 538102789 /nfs/dbraw/zinc/10/27/89/538102789.db2.gz SJLCLBGGBDUFIV-UHFFFAOYSA-N 1 0 215.247 2.349 10 0 BEAERO CC(C)NC(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725270855 538102921 /nfs/dbraw/zinc/10/29/21/538102921.db2.gz FUIAUXYWDDOCAY-NSHDSACASA-N 1 0 233.315 2.163 10 0 BEAERO C1CC([NH2+][C@H]2CCC[C@@]34C[C@@H](CO3)[C@H]24)C1 ZINC000725271446 538103127 /nfs/dbraw/zinc/10/31/27/538103127.db2.gz NDHFSGWMRXXHRX-SYEHKZFSSA-N 1 0 207.317 2.086 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638582743 352413650 /nfs/dbraw/zinc/41/36/50/352413650.db2.gz TVEBSFOKJAPIMU-USZNOCQGSA-N 1 0 211.349 2.029 10 0 BEAERO CC(C)CNC(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725271609 538103451 /nfs/dbraw/zinc/10/34/51/538103451.db2.gz QSKQFWLVYUIWII-GFCCVEGCSA-N 1 0 247.342 2.410 10 0 BEAERO C[C@@]1([C@H]([NH3+])c2cscn2)CCCS1 ZINC000307367786 352452590 /nfs/dbraw/zinc/45/25/90/352452590.db2.gz MKNCCARNULNNJD-BDAKNGLRSA-N 1 0 214.359 2.429 10 0 BEAERO CC[C@@H]([NH3+])c1nscc1Br ZINC000404795777 352471294 /nfs/dbraw/zinc/47/12/94/352471294.db2.gz HWFYAFYUCXIMNT-RXMQYKEDSA-N 1 0 221.123 2.315 10 0 BEAERO Cc1c(Br)cccc1NC1C[NH2+]C1 ZINC000232228060 352482442 /nfs/dbraw/zinc/48/24/42/352482442.db2.gz QQQDYBGANPCJMF-UHFFFAOYSA-N 1 0 241.132 2.141 10 0 BEAERO Cc1[nH+]cc2ccc(Br)cn12 ZINC000084326487 352554497 /nfs/dbraw/zinc/55/44/97/352554497.db2.gz JGIKQUAAUSUNSZ-UHFFFAOYSA-N 1 0 211.062 2.405 10 0 BEAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1ncc(Cl)s1 ZINC000301042204 352586213 /nfs/dbraw/zinc/58/62/13/352586213.db2.gz ZTCUXYGXBGBWPH-CAHLUQPWSA-N 1 0 216.737 2.495 10 0 BEAERO C[NH2+][C@@H](C)Cc1ccc(Br)o1 ZINC000307477588 352618114 /nfs/dbraw/zinc/61/81/14/352618114.db2.gz HXAQJJPLSSECRI-LURJTMIESA-N 1 0 218.094 2.193 10 0 BEAERO Cc1nc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)oc1C ZINC000040746916 352603989 /nfs/dbraw/zinc/60/39/89/352603989.db2.gz CTVKUVOMSFSOAQ-FUNVUKJBSA-N 1 0 249.358 2.006 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@]1(O)c1ccsc1Cl ZINC000307461112 352611109 /nfs/dbraw/zinc/61/11/09/352611109.db2.gz FUFNKHKPPUHBLV-XVKPBYJWSA-N 1 0 231.748 2.361 10 0 BEAERO CC(C)(C)OC(=O)c1cnc2c(c1)[C@@H]([NH3+])CCC2 ZINC000725273166 538104528 /nfs/dbraw/zinc/10/45/28/538104528.db2.gz WIWSVHTXLBICEY-NSHDSACASA-N 1 0 248.326 2.373 10 0 BEAERO Cc1nc([C@]2(F)CC[C@H]([NH3+])C2)cs1 ZINC000307465000 352615512 /nfs/dbraw/zinc/61/55/12/352615512.db2.gz CUJMYUYJECOQNW-CBAPKCEASA-N 1 0 200.282 2.128 10 0 BEAERO CC1(C)[C@@H](c2ncc(Cl)s2)[C@@H]1[NH3+] ZINC000300763939 352574050 /nfs/dbraw/zinc/57/40/50/352574050.db2.gz NQOKDMCPXVUCSY-RITPCOANSA-N 1 0 202.710 2.247 10 0 BEAERO C[C@@H]1C[C@@H]1[C@]1(C)C[NH+]=C(N)N1Cc1ccccc1 ZINC000307405348 352580809 /nfs/dbraw/zinc/58/08/09/352580809.db2.gz FBJQIOIRTXSBDR-ZLDLUXBVSA-N 1 0 243.354 2.232 10 0 BEAERO Nc1[nH+]ccn1Cc1sccc1Cl ZINC000307544210 352646091 /nfs/dbraw/zinc/64/60/91/352646091.db2.gz GTFZKDIRUKQQGH-UHFFFAOYSA-N 1 0 213.693 2.229 10 0 BEAERO CC(C)(CO)S[C@H]1CCCCC[C@@H]1[NH3+] ZINC000307547667 352646352 /nfs/dbraw/zinc/64/63/52/352646352.db2.gz UEWFHUAMTWOZNE-UWVGGRQHSA-N 1 0 217.378 2.151 10 0 BEAERO [NH3+][C@@H](Cc1sccc1Cl)[C@@H]1CCCO1 ZINC000307550331 352647187 /nfs/dbraw/zinc/64/71/87/352647187.db2.gz QYBSBISWPZVRBT-IUCAKERBSA-N 1 0 231.748 2.450 10 0 BEAERO [NH3+][C@H](Cc1sccc1Cl)[C@@H]1CCCO1 ZINC000307550329 352647465 /nfs/dbraw/zinc/64/74/65/352647465.db2.gz QYBSBISWPZVRBT-BDAKNGLRSA-N 1 0 231.748 2.450 10 0 BEAERO C[C@H]1C[C@@H](c2cnn(Cc3ccccc3)c2)C[NH2+]1 ZINC000307551846 352648112 /nfs/dbraw/zinc/64/81/12/352648112.db2.gz TYOILWPHSWGMJJ-GXTWGEPZSA-N 1 0 241.338 2.397 10 0 BEAERO CC[NH2+]C[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000307592589 352663527 /nfs/dbraw/zinc/66/35/27/352663527.db2.gz FHQZHHCAVSAZGE-ZDUSSCGKSA-N 1 0 242.363 2.386 10 0 BEAERO Nc1cc(NC2CCC2)c(Br)c[nH+]1 ZINC000307600281 352666311 /nfs/dbraw/zinc/66/63/11/352666311.db2.gz SFFCBJGNENIPBS-UHFFFAOYSA-N 1 0 242.120 2.391 10 0 BEAERO COc1nc([C@@H]2C[C@@H](C)CC[NH2+]2)cs1 ZINC000307608748 352667103 /nfs/dbraw/zinc/66/71/03/352667103.db2.gz DDWWXGGLUSATCL-YUMQZZPRSA-N 1 0 212.318 2.212 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@]1(F)c1ccns1 ZINC000307606886 352668500 /nfs/dbraw/zinc/66/85/00/352668500.db2.gz BUCNUQHUYCGTSE-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO CCc1ccccc1C(=O)C1([NH3+])CCC1 ZINC000307519742 352633827 /nfs/dbraw/zinc/63/38/27/352633827.db2.gz OHOZQUGLEOVRGW-UHFFFAOYSA-N 1 0 203.285 2.313 10 0 BEAERO C[C@H]([NH3+])[C@@](C)(O)Cc1sccc1Cl ZINC000307614137 352670809 /nfs/dbraw/zinc/67/08/09/352670809.db2.gz NUQJUKLVGRQXRT-RCOVLWMOSA-N 1 0 219.737 2.042 10 0 BEAERO Cc1cc(O)cc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000638756113 352690091 /nfs/dbraw/zinc/69/00/91/352690091.db2.gz FSXUFIZYIGHKGD-UHFFFAOYSA-N 1 0 248.326 2.157 10 0 BEAERO C[C@]1(c2nc(C[NH3+])cs2)CCCS1 ZINC000307651167 352742684 /nfs/dbraw/zinc/74/26/84/352742684.db2.gz LHNLWPHLKWSFLM-SECBINFHSA-N 1 0 214.359 2.344 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055086502 1172154198 /nfs/dbraw/zinc/15/41/98/1172154198.db2.gz ADKNHPGYRXNELK-RYUDHWBXSA-N 1 0 226.364 2.153 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)NC1CCCCCC1 ZINC000055086854 1172154396 /nfs/dbraw/zinc/15/43/96/1172154396.db2.gz OZTSBNTXAQKWBL-OLZOCXBDSA-N 1 0 238.375 2.343 10 0 BEAERO OCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000334191392 352782128 /nfs/dbraw/zinc/78/21/28/352782128.db2.gz JTRWVEFUVHOAOK-KGLIPLIRSA-N 1 0 217.312 2.163 10 0 BEAERO CC(C)(O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000334237870 352856167 /nfs/dbraw/zinc/85/61/67/352856167.db2.gz SGVAHYBQIQMION-CYBMUJFWSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090785 1172155209 /nfs/dbraw/zinc/15/52/09/1172155209.db2.gz XIBYUGLHAITPJI-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CCCCC1 ZINC000055091712 1172155217 /nfs/dbraw/zinc/15/52/17/1172155217.db2.gz CNZAVNOZPHDIQD-YPMHNXCESA-N 1 0 238.375 2.343 10 0 BEAERO F[C@@H](c1cnsc1)C1CC[NH2+]CC1 ZINC000405081160 352936449 /nfs/dbraw/zinc/93/64/49/352936449.db2.gz LZWNQIUNNKEDEH-SECBINFHSA-N 1 0 200.282 2.153 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCC12CC2 ZINC000638804060 352978563 /nfs/dbraw/zinc/97/85/63/352978563.db2.gz AQZQFTYRUCNKII-QJPTWQEYSA-N 1 0 238.375 2.056 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cn(C)nc1CC ZINC000092410049 538106720 /nfs/dbraw/zinc/10/67/20/538106720.db2.gz AEHSXOSNOYQHMT-ZWNOBZJWSA-N 1 0 221.348 2.261 10 0 BEAERO CC(C)C1(C[NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000638858296 353034537 /nfs/dbraw/zinc/03/45/37/353034537.db2.gz NAXAROWQAPBCQB-NWDGAFQWSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000638858298 353034640 /nfs/dbraw/zinc/03/46/40/353034640.db2.gz NAXAROWQAPBCQB-VXGBXAGGSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@](C)(NC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000638858675 353035578 /nfs/dbraw/zinc/03/55/78/353035578.db2.gz VEMSYBIVRQQFRM-TZMCWYRMSA-N 1 0 238.375 2.214 10 0 BEAERO Cn1ncc2c1C[C@@H](c1ccc(F)cc1)C[C@H]2[NH3+] ZINC000072415892 180827627 /nfs/dbraw/zinc/82/76/27/180827627.db2.gz HQRYAMGIWGHCEU-GXFFZTMASA-N 1 0 245.301 2.289 10 0 BEAERO CC(C)[N@H+](CCCO)[C@@H](C)c1ccc(N)cc1 ZINC000042483034 187947381 /nfs/dbraw/zinc/94/73/81/187947381.db2.gz QPCFWQCOJYUXKA-LBPRGKRZSA-N 1 0 236.359 2.423 10 0 BEAERO [NH3+][C@@H](c1ccsn1)[C@@H]1CCCS1 ZINC000306338423 353005065 /nfs/dbraw/zinc/00/50/65/353005065.db2.gz VVFWPSQHXJRUSY-YUMQZZPRSA-N 1 0 200.332 2.039 10 0 BEAERO COc1ccc([C@H](C[NH3+])OCC(F)(F)F)cc1 ZINC000042962513 187948063 /nfs/dbraw/zinc/94/80/63/187948063.db2.gz GSESKTHXXNHILS-JTQLQIEISA-N 1 0 249.232 2.274 10 0 BEAERO Cc1c(F)cccc1N1CCC[NH2+]CCC1 ZINC000043321944 187949525 /nfs/dbraw/zinc/94/95/25/187949525.db2.gz JJZLKEVDYTXYMJ-UHFFFAOYSA-N 1 0 222.307 2.324 10 0 BEAERO Oc1ccccc1SC[C@@H]1CCC[NH2+]1 ZINC000050047689 187952602 /nfs/dbraw/zinc/95/26/02/187952602.db2.gz URVXHUUCQDLLCA-VIFPVBQESA-N 1 0 209.314 2.236 10 0 BEAERO C[C@H](Nc1cccc(N)[nH+]1)C(C)(F)F ZINC000306792060 353038595 /nfs/dbraw/zinc/03/85/95/353038595.db2.gz ZVZZOPDMLXGXBH-LURJTMIESA-N 1 0 201.220 2.119 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC(C)(C)CC ZINC000638865391 353039284 /nfs/dbraw/zinc/03/92/84/353039284.db2.gz GBGINQFVPGLBLS-WDEREUQCSA-N 1 0 228.380 2.302 10 0 BEAERO CCC(C)(C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000638866174 353040306 /nfs/dbraw/zinc/04/03/06/353040306.db2.gz PDZOWECHBGRPSC-NSHDSACASA-N 1 0 228.380 2.302 10 0 BEAERO COC1(C[NH2+][C@H]2CCC[C@H](O)C2)CCCCC1 ZINC000319442582 538107173 /nfs/dbraw/zinc/10/71/73/538107173.db2.gz LVVXYDWGPRSASK-STQMWFEESA-N 1 0 241.375 2.229 10 0 BEAERO COC1(C[NH2+][C@@H]2CCC[C@@H](O)C2)CCCCC1 ZINC000319442575 538107229 /nfs/dbraw/zinc/10/72/29/538107229.db2.gz LVVXYDWGPRSASK-CHWSQXEVSA-N 1 0 241.375 2.229 10 0 BEAERO CC[C@H]([NH3+])CC(=O)Nc1cscc1C ZINC000307018031 353050080 /nfs/dbraw/zinc/05/00/80/353050080.db2.gz QMMNOMOASVEFRW-QMMMGPOBSA-N 1 0 212.318 2.122 10 0 BEAERO C[C@H]1CN(C(=O)CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000638883823 353050831 /nfs/dbraw/zinc/05/08/31/353050831.db2.gz BJSLXCRAHQDREK-AAEUAGOBSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000300844305 188001184 /nfs/dbraw/zinc/00/11/84/188001184.db2.gz DPOIIKIZIUYYGU-YNEHKIRRSA-N 1 0 213.365 2.419 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336758493 188001347 /nfs/dbraw/zinc/00/13/47/188001347.db2.gz KRONKSUCEUWRTF-SDDRHHMPSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000336758938 188001567 /nfs/dbraw/zinc/00/15/67/188001567.db2.gz KZBBEVBMNIPKOP-NWDGAFQWSA-N 1 0 211.349 2.437 10 0 BEAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339505611 188002594 /nfs/dbraw/zinc/00/25/94/188002594.db2.gz CYIMCRHSKGRWBG-LLVKDONJSA-N 1 0 226.364 2.020 10 0 BEAERO C[C@](F)(c1cnsc1)[C@@H]1CCC[NH2+]1 ZINC000405106156 353106748 /nfs/dbraw/zinc/10/67/48/353106748.db2.gz XMYZOSRTXKTRQH-IUCAKERBSA-N 1 0 200.282 2.080 10 0 BEAERO Cc1cnccc1[C@]1(C[NH3+])CCCS1 ZINC000307714215 353107531 /nfs/dbraw/zinc/10/75/31/353107531.db2.gz DDOTWLNMXGIMJX-LLVKDONJSA-N 1 0 208.330 2.071 10 0 BEAERO CC(C)Nc1cc(N)[nH+]cc1Br ZINC000307466005 353078102 /nfs/dbraw/zinc/07/81/02/353078102.db2.gz NEKVDYNQZHSCNJ-UHFFFAOYSA-N 1 0 230.109 2.247 10 0 BEAERO CC(C)[C@H](C[NH3+])Oc1ccc(F)c(F)c1 ZINC000052700562 187987383 /nfs/dbraw/zinc/98/73/83/187987383.db2.gz HRSFFVCIJNVWMS-NSHDSACASA-N 1 0 215.243 2.327 10 0 BEAERO CC(C)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000022213718 188008984 /nfs/dbraw/zinc/00/89/84/188008984.db2.gz BSPAIRGGPOWMBC-VIFPVBQESA-N 1 0 206.289 2.301 10 0 BEAERO Cc1ccc(OCC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000027521452 188010409 /nfs/dbraw/zinc/01/04/09/188010409.db2.gz MDVGXAXBBJKBFM-ZDUSSCGKSA-N 1 0 237.343 2.123 10 0 BEAERO CC(C)C[C@@H]1CN(C)[C@@H](CC(C)C)C[NH2+]1 ZINC000062571013 188013219 /nfs/dbraw/zinc/01/32/19/188013219.db2.gz VBXVSCNNXICGAT-OLZOCXBDSA-N 1 0 212.381 2.351 10 0 BEAERO Clc1nc(-c2ccccc2)nc2c1CNC2 ZINC000258423165 188020283 /nfs/dbraw/zinc/02/02/83/188020283.db2.gz GRSNZAZNDLOFLX-UHFFFAOYSA-N 1 0 231.686 2.400 10 0 BEAERO CSc1cccc(Cl)c1C(N)=[NH2+] ZINC000052908112 353132003 /nfs/dbraw/zinc/13/20/03/353132003.db2.gz TWWDLQVZURIYMS-UHFFFAOYSA-N 1 0 200.694 2.346 10 0 BEAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C ZINC000054052918 188005397 /nfs/dbraw/zinc/00/53/97/188005397.db2.gz AIXDEOZZZIWIPU-SECBINFHSA-N 1 0 203.289 2.337 10 0 BEAERO CC(C)C[C@@H](C[NH2+][C@@H]1CCCSC1)N(C)C ZINC000061572288 188049732 /nfs/dbraw/zinc/04/97/32/188049732.db2.gz UCQBRAJSNFFMGE-OLZOCXBDSA-N 1 0 244.448 2.448 10 0 BEAERO c1ccc(COCC[NH2+]C2CCC2)cc1 ZINC000123811456 353155915 /nfs/dbraw/zinc/15/59/15/353155915.db2.gz PIMLDJWJQMPXKV-UHFFFAOYSA-N 1 0 205.301 2.345 10 0 BEAERO CCCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019440482 168711549 /nfs/dbraw/zinc/71/15/49/168711549.db2.gz MISXPMJJEZQWNR-AGIUHOORSA-N 1 0 238.375 2.214 10 0 BEAERO Nc1c[nH+]ccc1NCc1ccc(F)cc1 ZINC000019755403 363205758 /nfs/dbraw/zinc/20/57/58/363205758.db2.gz GIPJGBJOWVNTDJ-UHFFFAOYSA-N 1 0 217.247 2.415 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000225328633 538112025 /nfs/dbraw/zinc/11/20/25/538112025.db2.gz ZKMMMLZYEJFOTE-JGVFFNPUSA-N 1 0 246.763 2.190 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000225328602 538112165 /nfs/dbraw/zinc/11/21/65/538112165.db2.gz ZKMMMLZYEJFOTE-SFYZADRCSA-N 1 0 246.763 2.190 10 0 BEAERO CC[C@@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000134451826 538112437 /nfs/dbraw/zinc/11/24/37/538112437.db2.gz LCRBQGATSPHRLX-SNVBAGLBSA-N 1 0 216.288 2.478 10 0 BEAERO FC1(F)Oc2cccc([C@H]3CCC[NH2+]3)c2O1 ZINC000072202422 180919579 /nfs/dbraw/zinc/91/95/79/180919579.db2.gz WIZTWMGNTAHDEN-MRVPVSSYSA-N 1 0 227.210 2.433 10 0 BEAERO C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1[C@H]2COC[C@H]21 ZINC000376055233 188254355 /nfs/dbraw/zinc/25/43/55/188254355.db2.gz IUHQCVLQXKOIRA-KHMAMNHCSA-N 1 0 235.371 2.437 10 0 BEAERO COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000294998353 188268831 /nfs/dbraw/zinc/26/88/31/188268831.db2.gz LBYMTZCZCCKVLE-SMDDNHRTSA-N 1 0 235.327 2.040 10 0 BEAERO Cc1cc(N(C)Cc2ccccn2)[nH+]cc1N ZINC000077342461 188269704 /nfs/dbraw/zinc/26/97/04/188269704.db2.gz XJVPIDUXFXJLOH-UHFFFAOYSA-N 1 0 228.299 2.004 10 0 BEAERO C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1[C@H]2COC[C@H]21 ZINC000367682263 188271626 /nfs/dbraw/zinc/27/16/26/188271626.db2.gz ARMNWKWLLCKHIR-FVCCEPFGSA-N 1 0 221.344 2.191 10 0 BEAERO COc1ccc([C@@H](C)[NH3+])c(Br)c1 ZINC000003705387 188275230 /nfs/dbraw/zinc/27/52/30/188275230.db2.gz DDOJRMAWVRDIQG-ZCFIWIBFSA-N 1 0 230.105 2.477 10 0 BEAERO CC(=O)O[C@@H]1CCCC[C@@H]1[n+]1ccccc1 ZINC000005283652 188277833 /nfs/dbraw/zinc/27/78/33/188277833.db2.gz XRPHEOWFSHJANF-QWHCGFSZSA-N 1 0 220.292 2.021 10 0 BEAERO CC(C)C[C@@](C)([NH3+])c1noc(C(C)C)n1 ZINC000036763674 188278615 /nfs/dbraw/zinc/27/86/15/188278615.db2.gz JOZRHZKBTYHUPT-LLVKDONJSA-N 1 0 211.309 2.413 10 0 BEAERO COc1ccccc1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000011961206 188279624 /nfs/dbraw/zinc/27/96/24/188279624.db2.gz JGIOGBAFIRGIJO-JTQLQIEISA-N 1 0 236.315 2.007 10 0 BEAERO CC1(C)Cc2cccc(OCCC(N)=[NH2+])c2O1 ZINC000019483971 188280792 /nfs/dbraw/zinc/28/07/92/188280792.db2.gz YMUHSKXMHOCLAU-UHFFFAOYSA-N 1 0 234.299 2.105 10 0 BEAERO CC(C)C[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000034937582 188285159 /nfs/dbraw/zinc/28/51/59/188285159.db2.gz MYWUGLZUOBCROC-LBPRGKRZSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)C[C@@H]([NH2+]CCC(N)=O)c1ccccc1 ZINC000035133907 188285401 /nfs/dbraw/zinc/28/54/01/188285401.db2.gz VKBXMCPVFYIVED-CYBMUJFWSA-N 1 0 234.343 2.239 10 0 BEAERO CC(C)[N@H+](CCN(C)C)Cc1ccccc1N ZINC000035365757 188285521 /nfs/dbraw/zinc/28/55/21/188285521.db2.gz JPEDPFVHGJYXQR-UHFFFAOYSA-N 1 0 235.375 2.041 10 0 BEAERO C[C@@H]1C[C@@H](c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000070586516 188286512 /nfs/dbraw/zinc/28/65/12/188286512.db2.gz WHXXKUJFFOPOOT-ZYHUDNBSSA-N 1 0 204.317 2.218 10 0 BEAERO CC(C)(C)c1nc2ccc(C[NH3+])cc2[nH]1 ZINC000071508671 188287224 /nfs/dbraw/zinc/28/72/24/188287224.db2.gz ZHUNNSKUKDJATI-UHFFFAOYSA-N 1 0 203.289 2.319 10 0 BEAERO CC(C)([NH3+])COCCCc1ccccc1 ZINC000074526325 188289208 /nfs/dbraw/zinc/28/92/08/188289208.db2.gz CJNJMCLVUUGBKU-UHFFFAOYSA-N 1 0 207.317 2.373 10 0 BEAERO CC(C)C[C@H]1CSC(NC2CCOCC2)=[NH+]1 ZINC000040796536 188292589 /nfs/dbraw/zinc/29/25/89/188292589.db2.gz GPJACSOZBGJXRE-NSHDSACASA-N 1 0 242.388 2.273 10 0 BEAERO CC(C)N(CC1CC1)C(=O)C1CCC([NH3+])CC1 ZINC000042591535 188293676 /nfs/dbraw/zinc/29/36/76/188293676.db2.gz WAQOBAHOGGLOKA-UHFFFAOYSA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)N(CC(F)(F)F)c1ncccc1C[NH3+] ZINC000042736366 188294757 /nfs/dbraw/zinc/29/47/57/188294757.db2.gz OXIPXZWNPWDBLP-UHFFFAOYSA-N 1 0 247.264 2.317 10 0 BEAERO Nc1ccc(SC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000043497527 188295824 /nfs/dbraw/zinc/29/58/24/188295824.db2.gz NJZWIDMKFZLRFW-VIFPVBQESA-N 1 0 226.320 2.252 10 0 BEAERO CC(=O)Nc1cccc(C2CC[NH+](C)CC2)c1 ZINC000075906123 188308291 /nfs/dbraw/zinc/30/82/91/188308291.db2.gz XSZMCYOOECRPLB-UHFFFAOYSA-N 1 0 232.327 2.454 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1 ZINC000054929482 188300273 /nfs/dbraw/zinc/30/02/73/188300273.db2.gz JJRAWPBAEDZOAD-NEPJUHHUSA-N 1 0 229.270 2.372 10 0 BEAERO Cc1nccc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000054790948 188300578 /nfs/dbraw/zinc/30/05/78/188300578.db2.gz FOOOZCFQHSXKED-CYBMUJFWSA-N 1 0 213.284 2.028 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1ccc2c(c1)OCO2 ZINC000054928550 188301035 /nfs/dbraw/zinc/30/10/35/188301035.db2.gz HPBMOTXRWYBDJU-LLVKDONJSA-N 1 0 221.300 2.331 10 0 BEAERO [NH3+]Cc1ccccc1CNc1ccc(F)cn1 ZINC000061841384 188302187 /nfs/dbraw/zinc/30/21/87/188302187.db2.gz XEODFVNMQDBQGS-UHFFFAOYSA-N 1 0 231.274 2.292 10 0 BEAERO CC(C)(c1ccccc1)c1nccc(CC[NH3+])n1 ZINC000062773826 188303557 /nfs/dbraw/zinc/30/35/57/188303557.db2.gz LUXCZGJVWFQWAW-UHFFFAOYSA-N 1 0 241.338 2.304 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccncc1 ZINC000252677276 353303630 /nfs/dbraw/zinc/30/36/30/353303630.db2.gz ZELGFJWVYZUHOM-ZFWWWQNUSA-N 1 0 245.370 2.140 10 0 BEAERO Cc1cccc([C@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)c1 ZINC000072415293 188306706 /nfs/dbraw/zinc/30/67/06/188306706.db2.gz UYJLZFGNCCHEGR-DGCLKSJQSA-N 1 0 227.311 2.448 10 0 BEAERO CNc1nccnc1C1CC[NH+](C(C)C)CC1 ZINC000072356951 188307371 /nfs/dbraw/zinc/30/73/71/188307371.db2.gz LNESSHFLWCOFPU-UHFFFAOYSA-N 1 0 234.347 2.106 10 0 BEAERO FCCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127922303 180931988 /nfs/dbraw/zinc/93/19/88/180931988.db2.gz VJFGWFJKBNXLJG-VXGBXAGGSA-N 1 0 225.311 2.316 10 0 BEAERO CC(C)c1ncc(C[NH3+])cc1OC1CC1 ZINC000095737775 188320659 /nfs/dbraw/zinc/32/06/59/188320659.db2.gz YTEWJKFASYYPJE-UHFFFAOYSA-N 1 0 206.289 2.205 10 0 BEAERO CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H](C)C(C)C ZINC000236846285 188322386 /nfs/dbraw/zinc/32/23/86/188322386.db2.gz BCYJZYRJUOTHMB-VXGBXAGGSA-N 1 0 228.380 2.158 10 0 BEAERO Cc1cccc(C(=O)C2CC[NH2+]CC2)c1C ZINC000041230313 188322623 /nfs/dbraw/zinc/32/26/23/188322623.db2.gz CFXKVUDBOFBKNT-UHFFFAOYSA-N 1 0 217.312 2.486 10 0 BEAERO COc1c(C)cc(COCCC[NH3+])c(C)c1C ZINC000077374364 188311576 /nfs/dbraw/zinc/31/15/76/188311576.db2.gz BJRKBUUSZJUGCV-UHFFFAOYSA-N 1 0 237.343 2.486 10 0 BEAERO CC(C)([NH3+])c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000083837608 188317145 /nfs/dbraw/zinc/31/71/45/188317145.db2.gz GYNSFFNIHONKKD-UHFFFAOYSA-N 1 0 219.263 2.410 10 0 BEAERO C[NH+](C)CCOc1ccc(Cl)cc1C=O ZINC000011801233 188339884 /nfs/dbraw/zinc/33/98/84/188339884.db2.gz CQELJQKPFRUIMJ-UHFFFAOYSA-N 1 0 227.691 2.093 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000163592957 353355888 /nfs/dbraw/zinc/35/58/88/353355888.db2.gz RQSPRQGUOZFJAP-SECBINFHSA-N 1 0 240.738 2.026 10 0 BEAERO CCN(C)c1nc2ccccc2cc1CC[NH3+] ZINC000104274078 188324348 /nfs/dbraw/zinc/32/43/48/188324348.db2.gz NPLACTLKJGXGQY-UHFFFAOYSA-N 1 0 229.327 2.192 10 0 BEAERO Cc1ccc(O)c(C[NH2+]CCCOC(C)C)n1 ZINC000112716315 188327180 /nfs/dbraw/zinc/32/71/80/188327180.db2.gz IOECXMCVEWFKPW-UHFFFAOYSA-N 1 0 238.331 2.000 10 0 BEAERO CC1(C)C[C@H]1NC(=[NH2+])NC1CCCCC1 ZINC000052048146 188332153 /nfs/dbraw/zinc/33/21/53/188332153.db2.gz VTEALISJNBHTMG-SNVBAGLBSA-N 1 0 209.337 2.232 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055087511 353346710 /nfs/dbraw/zinc/34/67/10/353346710.db2.gz ZEQYKHUSAADWLK-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]([NH3+])c1ccccc1N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000104269337 188336758 /nfs/dbraw/zinc/33/67/58/188336758.db2.gz NQYCOYDOBWNZFC-ACJTYDJDSA-N 1 0 246.354 2.198 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336683747 188341168 /nfs/dbraw/zinc/34/11/68/188341168.db2.gz SOCLZRIJCFFUNG-AVGNSLFASA-N 1 0 243.416 2.390 10 0 BEAERO CC1(C)CC[C@H]1[NH2+][C@H](CO)CC(F)(F)F ZINC000336760304 188348489 /nfs/dbraw/zinc/34/84/89/188348489.db2.gz MDXVVHRFKIWJHY-JGVFFNPUSA-N 1 0 225.254 2.078 10 0 BEAERO CSc1ccc(NCC[NH+](C)C)cc1 ZINC000020043746 188351701 /nfs/dbraw/zinc/35/17/01/188351701.db2.gz AUWXDCVOXBZNPX-UHFFFAOYSA-N 1 0 210.346 2.382 10 0 BEAERO COc1ccc([C@@]2(C)C[C@@H]2C[NH3+])cc1F ZINC000054587395 188355123 /nfs/dbraw/zinc/35/51/23/188355123.db2.gz ADANGWMSLZGLQQ-BXKDBHETSA-N 1 0 209.264 2.071 10 0 BEAERO CCn1cccc1C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000217622812 188355187 /nfs/dbraw/zinc/35/51/87/188355187.db2.gz ORXPIOOHIDOZDI-LBPRGKRZSA-N 1 0 235.375 2.080 10 0 BEAERO CC(C)C[C@H]1CNCC[N@@H+]1C1CCCC1 ZINC000062570364 188360234 /nfs/dbraw/zinc/36/02/34/188360234.db2.gz XKZKXTGARAGHDI-ZDUSSCGKSA-N 1 0 210.365 2.249 10 0 BEAERO CC/C=C/CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000184530329 535231063 /nfs/dbraw/zinc/23/10/63/535231063.db2.gz GYMQXUKAZHKCAJ-ITDFMYJTSA-N 1 0 234.347 2.271 10 0 BEAERO CC(C)(O)CC[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000366096296 188366470 /nfs/dbraw/zinc/36/64/70/188366470.db2.gz NTIZDBRKHVRGEJ-NEPJUHHUSA-N 1 0 211.349 2.412 10 0 BEAERO CC/C=C/CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184533010 535232324 /nfs/dbraw/zinc/23/23/24/535232324.db2.gz VESYKDKXTBDXTG-ITDFMYJTSA-N 1 0 208.349 2.123 10 0 BEAERO C[C@@H](c1nc2cnccc2s1)[C@H](C)[NH3+] ZINC000165692526 353458481 /nfs/dbraw/zinc/45/84/81/353458481.db2.gz ZNEVGRLCDCOICF-RQJHMYQMSA-N 1 0 207.302 2.142 10 0 BEAERO Fc1ccc(F)c(COC[C@H]2CCC[NH2+]2)c1 ZINC000051816623 180973839 /nfs/dbraw/zinc/97/38/39/180973839.db2.gz LDGCGILLAFQGKK-LLVKDONJSA-N 1 0 227.254 2.233 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCCCCC1 ZINC000094647136 188404409 /nfs/dbraw/zinc/40/44/09/188404409.db2.gz UJJXWLFTNAZKBI-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@]1(C(=O)NCC2CCCCC2)CCC[NH2+]1 ZINC000215668487 353525989 /nfs/dbraw/zinc/52/59/89/353525989.db2.gz MMVQEPGOLYPAPY-CQSZACIVSA-N 1 0 238.375 2.215 10 0 BEAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000061824413 353541208 /nfs/dbraw/zinc/54/12/08/353541208.db2.gz KYEHNYPCCPZBNE-NWDGAFQWSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000399012066 353586738 /nfs/dbraw/zinc/58/67/38/353586738.db2.gz BZSPXDSPDJQNSJ-JQWIXIFHSA-N 1 0 249.314 2.456 10 0 BEAERO CC(C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916825 358480000 /nfs/dbraw/zinc/48/00/00/358480000.db2.gz YBLWQFFCYPOZGU-QWHCGFSZSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399028646 353715490 /nfs/dbraw/zinc/71/54/90/353715490.db2.gz KOSIINDILKXGRN-MNOVXSKESA-N 1 0 249.314 2.456 10 0 BEAERO O=C(C[C@H]1C=CCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195086027 353721132 /nfs/dbraw/zinc/72/11/32/353721132.db2.gz JLDXYTUMIOQLNF-UONOGXRCSA-N 1 0 248.370 2.039 10 0 BEAERO Fc1cccc(OCCC[NH2+]C2CC2)c1F ZINC000062613936 181002538 /nfs/dbraw/zinc/00/25/38/181002538.db2.gz YDUIGPIGSAAJPQ-UHFFFAOYSA-N 1 0 227.254 2.486 10 0 BEAERO Fc1ccccc1CN1CCC[NH2+]CCC1 ZINC000049664525 181011995 /nfs/dbraw/zinc/01/19/95/181011995.db2.gz YRSOVYLEHMHMDC-UHFFFAOYSA-N 1 0 222.307 2.011 10 0 BEAERO Fc1ccccc1N1CCC[NH2+]CCC1 ZINC000049664594 181013978 /nfs/dbraw/zinc/01/39/78/181013978.db2.gz PTDITLKTTNRGFU-UHFFFAOYSA-N 1 0 208.280 2.016 10 0 BEAERO Fc1cccc2c1[C@H](N1CCCC1)C[NH2+]C2 ZINC000022812985 181008147 /nfs/dbraw/zinc/00/81/47/181008147.db2.gz IRQCXKCHEBQEES-GFCCVEGCSA-N 1 0 220.291 2.066 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)CO)c1cc2c(s1)CCC2 ZINC000123330089 324223095 /nfs/dbraw/zinc/22/30/95/324223095.db2.gz MEMLWRYNGNUMRM-DTWKUNHWSA-N 1 0 225.357 2.268 10 0 BEAERO CO[C@@H](C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000639135393 353844761 /nfs/dbraw/zinc/84/47/61/353844761.db2.gz HYURKOSPYNGRCT-OPDFLTKYSA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCOC1 ZINC000343560766 353934673 /nfs/dbraw/zinc/93/46/73/353934673.db2.gz ZLVSFHUAYPEZFU-BYNQJWBRSA-N 1 0 241.375 2.205 10 0 BEAERO COC(C)(C)c1csc([C@H](C)[NH3+])n1 ZINC000301015895 363295318 /nfs/dbraw/zinc/29/53/18/363295318.db2.gz OZSYGVISRUWFPO-LURJTMIESA-N 1 0 200.307 2.044 10 0 BEAERO CC(C)C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334795200 354548317 /nfs/dbraw/zinc/54/83/17/354548317.db2.gz DIOYCJHQQZGAFX-NWDGAFQWSA-N 1 0 209.333 2.143 10 0 BEAERO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000234004220 363413497 /nfs/dbraw/zinc/41/34/97/363413497.db2.gz CBSRFJITOTVQQK-WRWGMCAJSA-N 1 0 229.389 2.164 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000040502034 358493131 /nfs/dbraw/zinc/49/31/31/358493131.db2.gz OHLPHWQCFVMKSZ-CQSZACIVSA-N 1 0 236.334 2.400 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000040502205 358492851 /nfs/dbraw/zinc/49/28/51/358492851.db2.gz TYSUAUATUFGURP-RYUDHWBXSA-N 1 0 222.332 2.415 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC000040502026 358492860 /nfs/dbraw/zinc/49/28/60/358492860.db2.gz WGJMPQNNNGQLEU-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO OCC[N@H+](CC1CC1)C[C@H]1Cc2ccccc21 ZINC000346841092 355133816 /nfs/dbraw/zinc/13/38/16/355133816.db2.gz IXCDUMYGRIMTRU-CQSZACIVSA-N 1 0 231.339 2.031 10 0 BEAERO NC(=[NH2+])CCN(Cc1ccc(F)cc1)C1CC1 ZINC000042547925 181186793 /nfs/dbraw/zinc/18/67/93/181186793.db2.gz AZNYXPXGQKROTG-UHFFFAOYSA-N 1 0 235.306 2.116 10 0 BEAERO C[C@@H](CC[NH3+])Nc1ncc(Cl)cc1F ZINC000134267698 355295508 /nfs/dbraw/zinc/29/55/08/355295508.db2.gz IPIKECKMCRYZRR-LURJTMIESA-N 1 0 217.675 2.023 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@H]1CC1(C)C ZINC000414091722 191430766 /nfs/dbraw/zinc/43/07/66/191430766.db2.gz DXVCWNZYUSMKRK-GRYCIOLGSA-N 1 0 238.375 2.022 10 0 BEAERO NC(=[NH2+])CCOc1ccccc1C(F)(F)F ZINC000019487941 181186986 /nfs/dbraw/zinc/18/69/86/181186986.db2.gz LRLCYRSURJRQAS-UHFFFAOYSA-N 1 0 232.205 2.410 10 0 BEAERO NC(=[NH2+])CCc1c(F)cccc1Cl ZINC000071508116 181187043 /nfs/dbraw/zinc/18/70/43/181187043.db2.gz XPNWBLDJJUWFRY-UHFFFAOYSA-N 1 0 200.644 2.348 10 0 BEAERO NC(=[NH2+])CCCOc1ccc(Cl)cc1 ZINC000019429975 181186208 /nfs/dbraw/zinc/18/62/08/181186208.db2.gz PGVGTLANEDJVAT-UHFFFAOYSA-N 1 0 212.680 2.435 10 0 BEAERO NC(=[NH2+])CCCSc1nc2ccccc2[nH]1 ZINC000019848195 181187106 /nfs/dbraw/zinc/18/71/06/181187106.db2.gz JTCIBYSZDOPRGZ-UHFFFAOYSA-N 1 0 234.328 2.371 10 0 BEAERO NC(=[NH2+])COc1ccc2ccccc2c1 ZINC000055364101 181186556 /nfs/dbraw/zinc/18/65/56/181186556.db2.gz DLABYNNXXHZKKW-UHFFFAOYSA-N 1 0 200.241 2.155 10 0 BEAERO NC(=[NH2+])CCc1cccc(Br)c1 ZINC000071533015 181186604 /nfs/dbraw/zinc/18/66/04/181186604.db2.gz ZVZXHRMEYDTZFC-UHFFFAOYSA-N 1 0 227.105 2.318 10 0 BEAERO NC(=[NH2+])CCOc1ccc(C(F)(F)F)cc1 ZINC000034973308 181187144 /nfs/dbraw/zinc/18/71/44/181187144.db2.gz UTUPZNZPIVABHD-UHFFFAOYSA-N 1 0 232.205 2.410 10 0 BEAERO NC(=[NH2+])c1cc(Cl)cc2cnccc21 ZINC000082768597 181193549 /nfs/dbraw/zinc/19/35/49/181193549.db2.gz OIVYDPLNFHXTQT-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1cc(OCCc2cccs2)ccn1 ZINC000061814649 181194274 /nfs/dbraw/zinc/19/42/74/181194274.db2.gz NKOVHFWCSHYXJP-UHFFFAOYSA-N 1 0 247.323 2.049 10 0 BEAERO NC(=[NH2+])c1ccc(-c2ccc(N)cc2)s1 ZINC000164573654 181194321 /nfs/dbraw/zinc/19/43/21/181194321.db2.gz CFMAKLJCDLRACN-UHFFFAOYSA-N 1 0 217.297 2.281 10 0 BEAERO NC(=[NH2+])c1ccc(N2CCCCCC2)cc1 ZINC000019865735 181194968 /nfs/dbraw/zinc/19/49/68/181194968.db2.gz VPLPTTSYWYQTPA-UHFFFAOYSA-N 1 0 217.316 2.351 10 0 BEAERO NC(=[NH2+])c1ccc(OCCc2cccs2)nc1 ZINC000049585681 181194973 /nfs/dbraw/zinc/19/49/73/181194973.db2.gz BEERMUKUSNLGKP-UHFFFAOYSA-N 1 0 247.323 2.049 10 0 BEAERO NC(=[NH2+])c1ccc(Oc2ccccc2F)nc1 ZINC000019517609 181195006 /nfs/dbraw/zinc/19/50/06/181195006.db2.gz KCYHFELVYAXHDB-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO NC(=[NH2+])c1ccc2ccc(Cl)cc2n1 ZINC000062620653 181195017 /nfs/dbraw/zinc/19/50/17/181195017.db2.gz CSDMDVWZIGHSPC-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1cccnc1N1CCc2ccccc21 ZINC000019508844 181196225 /nfs/dbraw/zinc/19/62/25/181196225.db2.gz AVODHGYRONIFJH-UHFFFAOYSA-N 1 0 238.294 2.060 10 0 BEAERO NC(=[NH2+])c1ccccc1OCc1ccco1 ZINC000020076505 181196535 /nfs/dbraw/zinc/19/65/35/181196535.db2.gz ZBEHHKMEGYKTQT-UHFFFAOYSA-N 1 0 216.240 2.143 10 0 BEAERO NC(=[NH2+])c1cnc(C2CCCCC2)s1 ZINC000082416937 181197667 /nfs/dbraw/zinc/19/76/67/181197667.db2.gz BYHZTVZJCSSMHH-UHFFFAOYSA-N 1 0 209.318 2.475 10 0 BEAERO [NH2+]=C(Nc1ccccc1)NC1(CO)CCCCC1 ZINC000053128236 181200376 /nfs/dbraw/zinc/20/03/76/181200376.db2.gz JXXGBKNWJWRMMS-UHFFFAOYSA-N 1 0 247.342 2.318 10 0 BEAERO CC[NH+](CC)[C@H](C)CNC(=O)NCCC(C)C ZINC000040652887 358497845 /nfs/dbraw/zinc/49/78/45/358497845.db2.gz KOMDTRVHEGYAQQ-GFCCVEGCSA-N 1 0 243.395 2.062 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@H]([NH3+])CC1 ZINC000145253363 355763154 /nfs/dbraw/zinc/76/31/54/355763154.db2.gz CYRVZPXAHIAGAG-JTQLQIEISA-N 1 0 228.336 2.125 10 0 BEAERO CCCCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746708 358498935 /nfs/dbraw/zinc/49/89/35/358498935.db2.gz MGXMXFWRWLZVPZ-FUNVUKJBSA-N 1 0 238.375 2.308 10 0 BEAERO CC(C)[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000309325361 535290554 /nfs/dbraw/zinc/29/05/54/535290554.db2.gz GHGIYWSRKXLPRI-GXTWGEPZSA-N 1 0 219.328 2.280 10 0 BEAERO NC(=O)C1([NH2+]C2CCCC2)CCCCCCC1 ZINC000037968963 181213528 /nfs/dbraw/zinc/21/35/28/181213528.db2.gz ZBWKQUGIYYFHSR-UHFFFAOYSA-N 1 0 238.375 2.487 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000399260174 355874423 /nfs/dbraw/zinc/87/44/23/355874423.db2.gz PJNKEPQGVRJQGP-MWLCHTKSSA-N 1 0 235.287 2.147 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000399287353 355902996 /nfs/dbraw/zinc/90/29/96/355902996.db2.gz ZTYGHWJOWFGUOU-ZJUUUORDSA-N 1 0 235.287 2.147 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C(C)C)ncn2)C1 ZINC000040766516 358499228 /nfs/dbraw/zinc/49/92/28/358499228.db2.gz DMXMTYKLDXQHHJ-GFCCVEGCSA-N 1 0 248.374 2.496 10 0 BEAERO C[C@@H]1CC[NH2+][C@H]([C@H]2CCSC2)S1 ZINC000300209879 358499367 /nfs/dbraw/zinc/49/93/67/358499367.db2.gz IJJBETIOWBEQEH-VGMNWLOBSA-N 1 0 203.376 2.181 10 0 BEAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccoc1 ZINC000167392514 355986688 /nfs/dbraw/zinc/98/66/88/355986688.db2.gz XVGGBSJAGSTZGP-UHFFFAOYSA-N 1 0 242.278 2.178 10 0 BEAERO NC(=O)CCCC[C@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000037636544 181220963 /nfs/dbraw/zinc/22/09/63/181220963.db2.gz SOQRJEHQTFQMKF-AWEZNQCLSA-N 1 0 246.354 2.221 10 0 BEAERO CC[N@@H+]1CC[C@H](Nc2ncnc3ccsc32)C1 ZINC000389287447 355956690 /nfs/dbraw/zinc/95/66/90/355956690.db2.gz WKYVVVVXQLGPHF-VIFPVBQESA-N 1 0 248.355 2.197 10 0 BEAERO CCCC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186197836 535295583 /nfs/dbraw/zinc/29/55/83/535295583.db2.gz DIYVQXIYUMFIAI-STQMWFEESA-N 1 0 241.375 2.350 10 0 BEAERO COc1cccc(C[N@H+](C[C@H](C)O)C(C)C)c1 ZINC000036098347 356010062 /nfs/dbraw/zinc/01/00/62/356010062.db2.gz VDSFABGAIYJRPN-LBPRGKRZSA-N 1 0 237.343 2.286 10 0 BEAERO NC(=O)CC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037483921 181228133 /nfs/dbraw/zinc/22/81/33/181228133.db2.gz FIVHFJAXEOKOIG-VIFPVBQESA-N 1 0 247.125 2.259 10 0 BEAERO CCCCN(C)C(=O)C1(CCC)CC[NH2+]CC1 ZINC000062847694 168759281 /nfs/dbraw/zinc/75/92/81/168759281.db2.gz KGSOCLOLTQGFMH-UHFFFAOYSA-N 1 0 240.391 2.415 10 0 BEAERO C[C@@]([NH3+])(C(=O)c1ccccc1F)C1CC1 ZINC000168567175 356422129 /nfs/dbraw/zinc/42/21/29/356422129.db2.gz GVDJDAUDLQNDHN-LBPRGKRZSA-N 1 0 207.248 2.136 10 0 BEAERO C[C@@]([NH3+])(C(=O)c1cccc(F)c1)C1CC1 ZINC000168580129 356423895 /nfs/dbraw/zinc/42/38/95/356423895.db2.gz OZARXHNKNHFIIE-LBPRGKRZSA-N 1 0 207.248 2.136 10 0 BEAERO C([NH2+]C1CC1)c1nc2c(s1)CSCC2 ZINC000053295255 356404504 /nfs/dbraw/zinc/40/45/04/356404504.db2.gz FVVLJNFYAYUURP-UHFFFAOYSA-N 1 0 226.370 2.184 10 0 BEAERO C[C@H](C[NH3+])Oc1ccc(F)c(Br)c1 ZINC000137529912 356461230 /nfs/dbraw/zinc/46/12/30/356461230.db2.gz OPAIMYOIJHSCSV-ZCFIWIBFSA-N 1 0 248.095 2.314 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000251725049 535305458 /nfs/dbraw/zinc/30/54/58/535305458.db2.gz CDUJPAWRSSODBD-HZSPNIEDSA-N 1 0 242.407 2.120 10 0 BEAERO NC(=[NH2+])Cc1ccc(Br)cc1F ZINC000035285001 356474345 /nfs/dbraw/zinc/47/43/45/356474345.db2.gz BLLIMLAQKPKSCC-UHFFFAOYSA-N 1 0 231.068 2.067 10 0 BEAERO NC(=O)[C@H]([NH2+]C1CCCCC1)C1CCCCC1 ZINC000037969667 181278431 /nfs/dbraw/zinc/27/84/31/181278431.db2.gz IAZTYIULYCQKLT-CYBMUJFWSA-N 1 0 238.375 2.343 10 0 BEAERO OC1(CC[NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000336170477 134114740 /nfs/dbraw/zinc/11/47/40/134114740.db2.gz GKDHZJODNXVKHK-RYUDHWBXSA-N 1 0 209.333 2.023 10 0 BEAERO Cc1noc(C2(C)CC[NH+](C3CCC3)CC2)n1 ZINC000336179982 134118215 /nfs/dbraw/zinc/11/82/15/134118215.db2.gz GQJPIYOYKUXCAG-UHFFFAOYSA-N 1 0 235.331 2.284 10 0 BEAERO C[C@H]1C[N@H+](C[C@H]2CCCC2(F)F)CCO1 ZINC000336192433 134124555 /nfs/dbraw/zinc/12/45/55/134124555.db2.gz PLDQBSRMIPNWJH-VHSXEESVSA-N 1 0 219.275 2.143 10 0 BEAERO CCC[C@H](C)C(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051779 538475078 /nfs/dbraw/zinc/47/50/78/538475078.db2.gz TXKYDEXJQGRTFH-SCRDCRAPSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2C)cc1F ZINC000675055463 538475826 /nfs/dbraw/zinc/47/58/26/538475826.db2.gz STKLGMBJIWJYFK-YPMHNXCESA-N 1 0 222.307 2.228 10 0 BEAERO CCN(CC(C)C)CC12CCC(CC1)[NH2+]2 ZINC000675056785 538479020 /nfs/dbraw/zinc/47/90/20/538479020.db2.gz WWSMVULWWVXDMY-UHFFFAOYSA-N 1 0 210.365 2.249 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](c2cccc(F)c2)CO1 ZINC000675060822 538486772 /nfs/dbraw/zinc/48/67/72/538486772.db2.gz PXOUEWKTBXNPJJ-ZYHUDNBSSA-N 1 0 209.264 2.047 10 0 BEAERO C[C@@H]([NH3+])[C@@H]1COc2ccc(Cl)c(F)c2C1 ZINC000675063481 538490025 /nfs/dbraw/zinc/49/00/25/538490025.db2.gz FWIBTHZVCHTERR-RQJHMYQMSA-N 1 0 229.682 2.377 10 0 BEAERO [NH3+]Cc1cc2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000675069667 538499192 /nfs/dbraw/zinc/49/91/92/538499192.db2.gz KLHDZNKGTKTYQY-UHFFFAOYSA-N 1 0 242.200 2.418 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(OC)ns1 ZINC000399097632 366324788 /nfs/dbraw/zinc/32/47/88/366324788.db2.gz ZGCGAPVZSNDNEX-SCZZXKLOSA-N 1 0 226.345 2.430 10 0 BEAERO COc1nc2cc(F)c(F)c(F)c2cc1C[NH3+] ZINC000675070384 538501036 /nfs/dbraw/zinc/50/10/36/538501036.db2.gz WHGDQLKZYNUQMX-UHFFFAOYSA-N 1 0 242.200 2.119 10 0 BEAERO COc1nc2c(F)cc(C)cc2cc1C[NH3+] ZINC000675070448 538502237 /nfs/dbraw/zinc/50/22/37/538502237.db2.gz ZCCLRTFJCIFESI-UHFFFAOYSA-N 1 0 220.247 2.150 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2cccc(C)c2F)C1 ZINC000389448333 356673245 /nfs/dbraw/zinc/67/32/45/356673245.db2.gz PNLVJYYGWUSMJO-CYBMUJFWSA-N 1 0 236.334 2.318 10 0 BEAERO CC(C)C[C@](C)(C[NH3+])C(=O)OC(C)(C)C ZINC000675072487 538503431 /nfs/dbraw/zinc/50/34/31/538503431.db2.gz DGNHGPHGNWFZCO-GFCCVEGCSA-N 1 0 215.337 2.339 10 0 BEAERO CC(C)C1CCC2(CC1)OC[C@H]1C[C@]12[NH3+] ZINC000675073693 538506283 /nfs/dbraw/zinc/50/62/83/538506283.db2.gz MSQRUIHWLIBKFQ-KPFVRQRISA-N 1 0 209.333 2.319 10 0 BEAERO COC(=O)[C@H](C[NH3+])C1CCC(C(C)C)CC1 ZINC000675073922 538506325 /nfs/dbraw/zinc/50/63/25/538506325.db2.gz VRYQPGWHSHPNON-HTAVTVPLSA-N 1 0 227.348 2.197 10 0 BEAERO CC[C@H](C)[NH2+]Cc1c(OC)nsc1OC ZINC000675075283 538509080 /nfs/dbraw/zinc/50/90/80/538509080.db2.gz KOBFMUUUKVLXNG-ZETCQYMHSA-N 1 0 230.333 2.048 10 0 BEAERO CC[N@H+](C)CCOc1cncc(Cl)c1 ZINC000675076227 538510637 /nfs/dbraw/zinc/51/06/37/538510637.db2.gz LLMOXVAPBHWFPF-UHFFFAOYSA-N 1 0 214.696 2.066 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1ncc(Cl)cn1 ZINC000168075016 134155267 /nfs/dbraw/zinc/15/52/67/134155267.db2.gz CDOVEEJYPVHHDO-SECBINFHSA-N 1 0 228.727 2.059 10 0 BEAERO Fc1cccc([C@H]2C[C@@H](F)C[NH2+]2)c1F ZINC000675082620 538523048 /nfs/dbraw/zinc/52/30/48/538523048.db2.gz QJGSIERRBPZAFW-HZGVNTEJSA-N 1 0 201.191 2.337 10 0 BEAERO C[C@@H]1Cc2sc(CC[NH3+])nc2[C@@H](C)C1 ZINC000675077100 538512880 /nfs/dbraw/zinc/51/28/80/538512880.db2.gz XNIGMGCBWOYYFG-YUMQZZPRSA-N 1 0 210.346 2.330 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])C1CCC(C)CC1 ZINC000084330957 538532870 /nfs/dbraw/zinc/53/28/70/538532870.db2.gz CANFTCVZUSIVOR-ILDUYXDCSA-N 1 0 213.321 2.093 10 0 BEAERO CC[C@@H](C[NH3+])[C@H](O)c1ccsc1Cl ZINC000312624887 538563073 /nfs/dbraw/zinc/56/30/73/538563073.db2.gz NQQUCIGPCOGCBN-XPUUQOCRSA-N 1 0 219.737 2.420 10 0 BEAERO Cc1ccc(C(=O)C[C@@H]2CCCC[NH2+]2)o1 ZINC000086499671 538555821 /nfs/dbraw/zinc/55/58/21/538555821.db2.gz TYZLWSLXTSPIDE-JTQLQIEISA-N 1 0 207.273 2.303 10 0 BEAERO O=C(C[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000086499756 538555936 /nfs/dbraw/zinc/55/59/36/538555936.db2.gz FFISAJLSKPMPOJ-SNVBAGLBSA-N 1 0 209.314 2.463 10 0 BEAERO CC(C)[C@@H]1CCC(=O)[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000086499617 538556189 /nfs/dbraw/zinc/55/61/89/538556189.db2.gz SGTWBAIHMXUZNB-UTUOFQBUSA-N 1 0 209.333 2.380 10 0 BEAERO C[C@@H]1CC[NH2+][C@H](CC(=O)c2ccoc2)C1 ZINC000130365887 538587870 /nfs/dbraw/zinc/58/78/70/538587870.db2.gz MYVXERIWCOKEDB-KOLCDFICSA-N 1 0 207.273 2.241 10 0 BEAERO C[C@H]1CC[NH2+][C@H](CC(=O)c2nccs2)C1 ZINC000130355141 538588655 /nfs/dbraw/zinc/58/86/55/538588655.db2.gz MADWVPMRLOOLLW-IUCAKERBSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@H]1CCC[C@H](CC(=O)c2cscn2)[NH2+]1 ZINC000130390211 538589418 /nfs/dbraw/zinc/58/94/18/538589418.db2.gz KBLISXNUOGQLDC-DTWKUNHWSA-N 1 0 224.329 2.247 10 0 BEAERO C[C@H]1CC[NH2+][C@H](CC(=O)c2cncs2)C1 ZINC000130391039 538589664 /nfs/dbraw/zinc/58/96/64/538589664.db2.gz SQFANLPOYKDDAY-IUCAKERBSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@@H]1CCC[C@@H](CC(=O)c2cncs2)[NH2+]1 ZINC000130392060 538590947 /nfs/dbraw/zinc/59/09/47/538590947.db2.gz BFFOEBGGWYLZAB-BDAKNGLRSA-N 1 0 224.329 2.247 10 0 BEAERO O=C(C[C@H]1CCCCC[NH2+]1)c1ccoc1 ZINC000087290628 538566967 /nfs/dbraw/zinc/56/69/67/538566967.db2.gz HPOTZCBSDJGBKR-LLVKDONJSA-N 1 0 207.273 2.385 10 0 BEAERO [NH3+]C[C@@H]1CCOc2ccc(Br)cc21 ZINC000096987608 538615623 /nfs/dbraw/zinc/61/56/23/538615623.db2.gz SXWOKBKCYYPNFO-ZETCQYMHSA-N 1 0 242.116 2.274 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)[NH3+])C1 ZINC000096987002 538615714 /nfs/dbraw/zinc/61/57/14/538615714.db2.gz HFKLZYVRQRQYCP-SNVBAGLBSA-N 1 0 242.363 2.371 10 0 BEAERO CCOC(=O)c1nc([C@@H]2CCC[NH2+]2)sc1C ZINC000166502949 538726925 /nfs/dbraw/zinc/72/69/25/538726925.db2.gz MFOQNOWMRDBMBF-QMMMGPOBSA-N 1 0 240.328 2.053 10 0 BEAERO CCOC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000130600736 325071137 /nfs/dbraw/zinc/07/11/37/325071137.db2.gz JAHHEXFAYUSDDB-MCIONIFRSA-N 1 0 243.391 2.188 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000389540754 356985661 /nfs/dbraw/zinc/98/56/61/356985661.db2.gz KFADBHDOJRRAHR-RWMBFGLXSA-N 1 0 224.392 2.495 10 0 BEAERO C[C@@H](C(=O)C1CCCCCC1)C1C[NH2+]C1 ZINC000129851090 356986908 /nfs/dbraw/zinc/98/69/08/356986908.db2.gz ZINPLGHREYHOFJ-SNVBAGLBSA-N 1 0 209.333 2.381 10 0 BEAERO Cc1cc(C(=O)[C@@H](C)C2C[NH2+]C2)cs1 ZINC000129862050 356995832 /nfs/dbraw/zinc/99/58/32/356995832.db2.gz CULALGAHKRQQOS-QMMMGPOBSA-N 1 0 209.314 2.095 10 0 BEAERO CC(C)c1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)ncn1 ZINC000389741627 357023531 /nfs/dbraw/zinc/02/35/31/357023531.db2.gz ZURUJURXOHQREX-CMPLNLGQSA-N 1 0 234.347 2.010 10 0 BEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000389608660 357001764 /nfs/dbraw/zinc/00/17/64/357001764.db2.gz ZVEDUNSQZBJNTH-NOOOWODRSA-N 1 0 211.349 2.172 10 0 BEAERO CCc1cc(CC)nc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389696512 357015283 /nfs/dbraw/zinc/01/52/83/357015283.db2.gz DNCNIKMQYKLKIA-GXFFZTMASA-N 1 0 248.374 2.011 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncnc2sccc21 ZINC000389702139 357016983 /nfs/dbraw/zinc/01/69/83/357016983.db2.gz JXJZSZQRHXRDHV-WPRPVWTQSA-N 1 0 248.355 2.101 10 0 BEAERO CSCCC[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000389710056 357017825 /nfs/dbraw/zinc/01/78/25/357017825.db2.gz MDJYUUHBTAGAMA-NEPJUHHUSA-N 1 0 231.405 2.222 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1nccc(C(C)(C)C)n1 ZINC000389706745 357017848 /nfs/dbraw/zinc/01/78/48/357017848.db2.gz ONGSBDAWSHRXLY-WDEREUQCSA-N 1 0 248.374 2.184 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000053590853 357067450 /nfs/dbraw/zinc/06/74/50/357067450.db2.gz HUQVRJAMCDSPDP-TZMCWYRMSA-N 1 0 241.375 2.350 10 0 BEAERO CC(F)(F)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000390111889 357082234 /nfs/dbraw/zinc/08/22/34/357082234.db2.gz XOXNSKWQHJDZCO-NXEZZACHSA-N 1 0 221.291 2.315 10 0 BEAERO C[NH2+][C@H](C)[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300030262 357173910 /nfs/dbraw/zinc/17/39/10/357173910.db2.gz QQPZWAMZZPFHDR-HXFLIBJXSA-N 1 0 205.392 2.220 10 0 BEAERO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)ccn1 ZINC000391385326 357129246 /nfs/dbraw/zinc/12/92/46/357129246.db2.gz YRIPAOZBOOKROJ-UKRRQHHQSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccn1 ZINC000391385330 357129281 /nfs/dbraw/zinc/12/92/81/357129281.db2.gz YRIPAOZBOOKROJ-ZFWWWQNUSA-N 1 0 245.370 2.059 10 0 BEAERO C[C@H]1CC(C[NH2+]CC2(F)CC2)C[C@H](C)O1 ZINC000393620263 357289799 /nfs/dbraw/zinc/28/97/99/357289799.db2.gz PRACVQXGBQEHHQ-UWVGGRQHSA-N 1 0 215.312 2.282 10 0 BEAERO CC(C)C(C[NH2+][C@H]1CCC(=O)N[C@@H]1C)C(C)C ZINC000392904905 357263627 /nfs/dbraw/zinc/26/36/27/357263627.db2.gz VXCPBHGJUFGPME-YPMHNXCESA-N 1 0 240.391 2.171 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)CC(C)(C)C1 ZINC000393173745 357278373 /nfs/dbraw/zinc/27/83/73/357278373.db2.gz HLBXZDYZSPEYGA-WRWGMCAJSA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@@](C)([C@@H](N)c1ccccc1)[NH+](C)C ZINC000085745449 357400496 /nfs/dbraw/zinc/40/04/96/357400496.db2.gz NLNPTDUECXXCML-STQMWFEESA-N 1 0 206.333 2.417 10 0 BEAERO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000397269425 357509036 /nfs/dbraw/zinc/50/90/36/357509036.db2.gz NBUXOBPWTVGREW-LOWVWBTDSA-N 1 0 213.365 2.418 10 0 BEAERO COC[C@H](C)C[N@H+](C)Cc1ccc(C)o1 ZINC000131906226 325190308 /nfs/dbraw/zinc/19/03/08/325190308.db2.gz CTURGXJXJZSNGK-SNVBAGLBSA-N 1 0 211.305 2.302 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CC[C@H]2CCCO2)o1 ZINC000230417617 357524094 /nfs/dbraw/zinc/52/40/94/357524094.db2.gz AHYZPKWOUWPELO-GHMZBOCLSA-N 1 0 224.304 2.203 10 0 BEAERO COC(C)(C)CC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230417605 357524258 /nfs/dbraw/zinc/52/42/58/357524258.db2.gz KEEUZWMERYYHOT-JTQLQIEISA-N 1 0 226.320 2.449 10 0 BEAERO COC1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000230389853 357532208 /nfs/dbraw/zinc/53/22/08/357532208.db2.gz YKZMHDKKJMDIES-RYSNWHEDSA-N 1 0 241.375 2.085 10 0 BEAERO COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230665224 357546713 /nfs/dbraw/zinc/54/67/13/357546713.db2.gz PDBBXCRSBRHIOH-FRRDWIJNSA-N 1 0 243.391 2.188 10 0 BEAERO COC1CC([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000230675770 357549335 /nfs/dbraw/zinc/54/93/35/357549335.db2.gz AQZUNLCRFAFADD-HUUUCTMMSA-N 1 0 224.279 2.049 10 0 BEAERO C[C@@H]([NH3+])CCNC(=O)Nc1cccc(Cl)c1 ZINC000063170779 357551892 /nfs/dbraw/zinc/55/18/92/357551892.db2.gz IKZWQQKGGIJUMS-MRVPVSSYSA-N 1 0 241.722 2.199 10 0 BEAERO C[C@@H]([NH3+])CCNc1ccc2ccccc2n1 ZINC000063171793 357552881 /nfs/dbraw/zinc/55/28/81/357552881.db2.gz OEBBZUCIZDZBJR-SNVBAGLBSA-N 1 0 215.300 2.384 10 0 BEAERO CCN(C)C(=O)[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000231844148 357627788 /nfs/dbraw/zinc/62/77/88/357627788.db2.gz IQKCFRXTLHGKQT-CPCZMJQVSA-N 1 0 240.391 2.269 10 0 BEAERO COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000231607362 357611156 /nfs/dbraw/zinc/61/11/56/357611156.db2.gz KEFPGHVJMCOFII-JHJVBQTASA-N 1 0 243.391 2.188 10 0 BEAERO Cc1nc(C(=O)C[C@H]2CCCC[NH2+]2)cs1 ZINC000229142386 538881345 /nfs/dbraw/zinc/88/13/45/538881345.db2.gz CMGZYFTXWXLMQA-SECBINFHSA-N 1 0 224.329 2.166 10 0 BEAERO CCC[C@@H](C)C(=O)N[C@@]1(CC)CCC[NH2+]C1 ZINC000685947388 538889104 /nfs/dbraw/zinc/88/91/04/538889104.db2.gz MOLOUDPQESGDPL-YPMHNXCESA-N 1 0 226.364 2.071 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCC[C@@]([NH3+])(CC)C1 ZINC000685947780 538889693 /nfs/dbraw/zinc/88/96/93/538889693.db2.gz QSUPSJJNXSQXRR-YPMHNXCESA-N 1 0 226.364 2.153 10 0 BEAERO CC[C@]1([NH3+])CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC000685948087 538890554 /nfs/dbraw/zinc/89/05/54/538890554.db2.gz XENFRVJUZZSWTQ-AAEUAGOBSA-N 1 0 226.364 2.008 10 0 BEAERO c1cc([C@H]2CC[NH2+]C2)ccc1[C@@H]1CCO1 ZINC000685950025 538893455 /nfs/dbraw/zinc/89/34/55/538893455.db2.gz FBVDMOMEDANRKE-STQMWFEESA-N 1 0 203.285 2.225 10 0 BEAERO [NH3+]C1(c2ccc([C@H]3CCO3)cc2)CCC1 ZINC000685950492 538893959 /nfs/dbraw/zinc/89/39/59/538893959.db2.gz RRORIZFSQPEOBT-GFCCVEGCSA-N 1 0 203.285 2.486 10 0 BEAERO Nc1[nH+]ccn1CCCOCc1ccccc1 ZINC000685951172 538894213 /nfs/dbraw/zinc/89/42/13/538894213.db2.gz OBYMHWQFAXOZHL-UHFFFAOYSA-N 1 0 231.299 2.072 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)CC1CCCC1 ZINC000190596463 357712134 /nfs/dbraw/zinc/71/21/34/357712134.db2.gz LJBNTCRSOSAWHN-MBNYWOFBSA-N 1 0 241.375 2.037 10 0 BEAERO CCCC[C@H](CC)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232981250 357696213 /nfs/dbraw/zinc/69/62/13/357696213.db2.gz PFNZYSGBBYDIEN-SRVKXCTJSA-N 1 0 226.364 2.008 10 0 BEAERO COc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085967388 357707228 /nfs/dbraw/zinc/70/72/28/357707228.db2.gz BPELZWRVJTWJPG-TZMCWYRMSA-N 1 0 249.354 2.336 10 0 BEAERO CC(C)=CC[NH2+]C1CCN(c2ncccn2)CC1 ZINC000191097207 357749549 /nfs/dbraw/zinc/74/95/49/357749549.db2.gz TWAHIJJPIHUPTM-UHFFFAOYSA-N 1 0 246.358 2.001 10 0 BEAERO C[C@@H](O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000192966639 357861918 /nfs/dbraw/zinc/86/19/18/357861918.db2.gz VEGIIPQSWJCRRT-GFCCVEGCSA-N 1 0 217.312 2.157 10 0 BEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](C)COC)C1(C)C ZINC000132961206 325257224 /nfs/dbraw/zinc/25/72/24/325257224.db2.gz OKRAPTCBRLTGAY-FRRDWIJNSA-N 1 0 243.391 2.404 10 0 BEAERO CC[C@]1(C)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000399442700 357890185 /nfs/dbraw/zinc/89/01/85/357890185.db2.gz USRSHGJUBFVLFH-GXTWGEPZSA-N 1 0 238.375 2.025 10 0 BEAERO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000087771035 491116452 /nfs/dbraw/zinc/11/64/52/491116452.db2.gz GQHRVTJYGKPOSJ-SRVKXCTJSA-N 1 0 211.349 2.458 10 0 BEAERO C(C[N@@H+]1CCN2CCCC[C@@H]2C1)C1CCC1 ZINC000229141344 491117268 /nfs/dbraw/zinc/11/72/68/491117268.db2.gz UDDXJPRKJYSQNZ-CQSZACIVSA-N 1 0 222.376 2.347 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000639938705 357944538 /nfs/dbraw/zinc/94/45/38/357944538.db2.gz IZKRJTYEJNOXIG-KWCYVHTRSA-N 1 0 231.339 2.172 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639938857 357945849 /nfs/dbraw/zinc/94/58/49/357945849.db2.gz NOMSYPJSBYFVTD-RKQHYHRCSA-N 1 0 223.360 2.268 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639938858 357945884 /nfs/dbraw/zinc/94/58/84/357945884.db2.gz NOMSYPJSBYFVTD-XGFWRYKXSA-N 1 0 223.360 2.268 10 0 BEAERO CCC[C@@H](O)C[NH2+]Cc1ccn(CCC)c1 ZINC000217735135 134250345 /nfs/dbraw/zinc/25/03/45/134250345.db2.gz JNZJLHHKKRQMPC-CYBMUJFWSA-N 1 0 224.348 2.149 10 0 BEAERO CCC[C@H](O)C[NH2+]Cc1ccn(CCC)c1 ZINC000217735204 134250426 /nfs/dbraw/zinc/25/04/26/134250426.db2.gz JNZJLHHKKRQMPC-ZDUSSCGKSA-N 1 0 224.348 2.149 10 0 BEAERO CC[C@H](C(N)=O)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000171074401 134257065 /nfs/dbraw/zinc/25/70/65/134257065.db2.gz HJRCANJYHRRODM-CQSZACIVSA-N 1 0 244.338 2.040 10 0 BEAERO C[C@H](O)C(C)(C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000134376201 325355925 /nfs/dbraw/zinc/35/59/25/325355925.db2.gz PSBXSONVBZHPQP-UWVGGRQHSA-N 1 0 227.373 2.428 10 0 BEAERO Cc1ccc(C2([NH3+])CCOCC2)cc1F ZINC000223760446 358230227 /nfs/dbraw/zinc/23/02/27/358230227.db2.gz CJRDUHLXUBJQFR-UHFFFAOYSA-N 1 0 209.264 2.099 10 0 BEAERO CCN1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000040502207 358237543 /nfs/dbraw/zinc/23/75/43/358237543.db2.gz HMYZKBNUSYNKCH-ZDUSSCGKSA-N 1 0 222.376 2.249 10 0 BEAERO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2O)s1 ZINC000090418282 491126662 /nfs/dbraw/zinc/12/66/62/491126662.db2.gz MBAJRFWPUGHICO-GDPRMGEGSA-N 1 0 240.372 2.263 10 0 BEAERO COc1cc2c(cc1O)[C@@H]1CCC[NH2+][C@H]1CC2 ZINC000584596782 358254625 /nfs/dbraw/zinc/25/46/25/358254625.db2.gz YQGZYIBDMQSXRF-JQWIXIFHSA-N 1 0 233.311 2.183 10 0 BEAERO CCCC(=O)O[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000584600487 358256973 /nfs/dbraw/zinc/25/69/73/358256973.db2.gz HVWMRKNUARLCRT-RYUDHWBXSA-N 1 0 225.332 2.347 10 0 BEAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000584600696 358257782 /nfs/dbraw/zinc/25/77/82/358257782.db2.gz VVYLWDXEQVVORW-NEPJUHHUSA-N 1 0 225.332 2.204 10 0 BEAERO C[NH+](C)[C@@]1(c2ccccc2)CC[C@H](O)CC1 ZINC000584601419 358258614 /nfs/dbraw/zinc/25/86/14/358258614.db2.gz OMFAXTHGUKJURS-HDJSIYSDSA-N 1 0 219.328 2.378 10 0 BEAERO C[N@H+](CCO)CCNc1cccc2ccccc21 ZINC000584603347 358262019 /nfs/dbraw/zinc/26/20/19/358262019.db2.gz XEPGPNGBKAHKBW-UHFFFAOYSA-N 1 0 244.338 2.176 10 0 BEAERO C[C@@H](Oc1cccc2cnccc21)C1=[NH+]CCN1 ZINC000584606112 358265075 /nfs/dbraw/zinc/26/50/75/358265075.db2.gz CFTMCFKFANDFFE-SNVBAGLBSA-N 1 0 241.294 2.004 10 0 BEAERO CCCC[C@@H]1C[S@@](=O)C[C@@H](CCC)[NH2+]1 ZINC000584607370 358267842 /nfs/dbraw/zinc/26/78/42/358267842.db2.gz ZSGAFOHYCGFXFP-GYSYKLTISA-N 1 0 217.378 2.066 10 0 BEAERO COc1ccc(C[NH+](C)C)c2cc(C)c(=O)oc12 ZINC000584626407 358295732 /nfs/dbraw/zinc/29/57/32/358295732.db2.gz ZLRQGWCSQVDWBU-UHFFFAOYSA-N 1 0 247.294 2.172 10 0 BEAERO C[C@@H]1C[NH2+]Cc2c(-c3ccc(F)cc3)cnn21 ZINC000584648824 358303189 /nfs/dbraw/zinc/30/31/89/358303189.db2.gz UKGXSEFKWZSIBF-SECBINFHSA-N 1 0 231.274 2.353 10 0 BEAERO COC(=O)[C@H]1CC[C@@H](CCc2ccccc2)[NH2+]C1 ZINC000584631631 358314214 /nfs/dbraw/zinc/31/42/14/358314214.db2.gz FZFOQIJNDDCCLL-UONOGXRCSA-N 1 0 247.338 2.160 10 0 BEAERO CCCC[N@H+](C)C/C=C/CC(=O)OCC ZINC000584658234 358310170 /nfs/dbraw/zinc/31/01/70/358310170.db2.gz SPWGMOVUEKYOBG-BQYQJAHWSA-N 1 0 213.321 2.228 10 0 BEAERO OC[C@H]1CCC2=C(C1)C1=CC(F)=CC[C@@H]1[NH2+]2 ZINC000584617299 358282000 /nfs/dbraw/zinc/28/20/00/358282000.db2.gz UZXPGPSYBMMTAY-SDBXPKJASA-N 1 0 221.275 2.188 10 0 BEAERO Cc1[nH]c(N)[nH+]c1-c1cccc(C)c1F ZINC000584644319 358329250 /nfs/dbraw/zinc/32/92/50/358329250.db2.gz FDQLGFDGVNMAIF-UHFFFAOYSA-N 1 0 205.236 2.245 10 0 BEAERO CC[C@]1(O)C[N@H+](C)CC[C@H]1c1ccccc1 ZINC000584633508 358317127 /nfs/dbraw/zinc/31/71/27/358317127.db2.gz ORUSCBHIBCGXDB-KBPBESRZSA-N 1 0 219.328 2.247 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000228268847 358372063 /nfs/dbraw/zinc/37/20/63/358372063.db2.gz QIDOTBPHQDWXQR-ZJUUUORDSA-N 1 0 244.342 2.476 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1cnc2ccccc2n1 ZINC000228271093 358372472 /nfs/dbraw/zinc/37/24/72/358372472.db2.gz MMCKYWFXFHPRAZ-VHSXEESVSA-N 1 0 230.315 2.168 10 0 BEAERO COc1ccc(C[C@H](C)[NH3+])c(Cl)c1OC ZINC000044411326 358407334 /nfs/dbraw/zinc/40/73/34/358407334.db2.gz YSMNSFWMHNMAHB-ZETCQYMHSA-N 1 0 229.707 2.247 10 0 BEAERO COC[C@@H](C)C[NH2+]CCCc1ccccc1 ZINC000044478366 358387914 /nfs/dbraw/zinc/38/79/14/358387914.db2.gz AUIRFSCLZKECSN-ZDUSSCGKSA-N 1 0 221.344 2.491 10 0 BEAERO COC[C@H](C)[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000173983847 134277007 /nfs/dbraw/zinc/27/70/07/134277007.db2.gz SMXBTWSSHVBAFH-QWHCGFSZSA-N 1 0 248.370 2.235 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000230416836 358399682 /nfs/dbraw/zinc/39/96/82/358399682.db2.gz WCLCKNKWHYJDBJ-MGPQQGTHSA-N 1 0 243.391 2.190 10 0 BEAERO CC[NH+](CC)[C@@H](C)[C@@H](O)c1ccc(OC)cc1 ZINC000044115994 358403599 /nfs/dbraw/zinc/40/35/99/358403599.db2.gz ZADXTHKYPSXLTR-SMDDNHRTSA-N 1 0 237.343 2.459 10 0 BEAERO C1CC[C@@H](c2[nH]nc3c2CSCC3)[NH2+]C1 ZINC000211425731 358448062 /nfs/dbraw/zinc/44/80/62/358448062.db2.gz LQEVNRHWCQZBIC-JTQLQIEISA-N 1 0 223.345 2.014 10 0 BEAERO COc1cccc(F)c1[C@@H](C)[NH2+]C[C@H](C)CO ZINC000135125843 491132724 /nfs/dbraw/zinc/13/27/24/491132724.db2.gz RRIPGLDGXXHUTN-VHSXEESVSA-N 1 0 241.306 2.113 10 0 BEAERO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)C(C)C ZINC000175163463 134283605 /nfs/dbraw/zinc/28/36/05/134283605.db2.gz CGTUQAXJQCUKLQ-LBPRGKRZSA-N 1 0 243.395 2.062 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403317217 358568829 /nfs/dbraw/zinc/56/88/29/358568829.db2.gz FVJMJYNUYKNEGB-MGPQQGTHSA-N 1 0 243.354 2.489 10 0 BEAERO O=C1CCCCC[C@H]1C[NH+]1CCSCC1 ZINC000053926076 358580569 /nfs/dbraw/zinc/58/05/69/358580569.db2.gz DDWQTNZDMLAQHR-NSHDSACASA-N 1 0 227.373 2.185 10 0 BEAERO CCc1nc(CC[NH2+][C@H](CC)C(C)C)no1 ZINC000129292333 358585356 /nfs/dbraw/zinc/58/53/56/358585356.db2.gz YDSDJGOPNQFMQW-SNVBAGLBSA-N 1 0 225.336 2.199 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CCC1)c1cncs1 ZINC000130996058 358656676 /nfs/dbraw/zinc/65/66/76/358656676.db2.gz QTKFNGGTMXLHLZ-JTQLQIEISA-N 1 0 240.372 2.346 10 0 BEAERO CC[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000131030799 358658249 /nfs/dbraw/zinc/65/82/49/358658249.db2.gz ONNXTAHFIVIHKE-NXEZZACHSA-N 1 0 222.336 2.064 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000131276732 358667258 /nfs/dbraw/zinc/66/72/58/358667258.db2.gz QDIUKKIPIGMVOJ-KOLCDFICSA-N 1 0 237.299 2.344 10 0 BEAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(F)(F)F ZINC000175591346 134287840 /nfs/dbraw/zinc/28/78/40/134287840.db2.gz IXJRTIISCQPQCX-ZJUUUORDSA-N 1 0 236.281 2.107 10 0 BEAERO CC[C@H](CO)[NH2+][C@H](c1cccnc1)C(C)C ZINC000133057530 358744283 /nfs/dbraw/zinc/74/42/83/358744283.db2.gz CUSIGISGQQPODL-OLZOCXBDSA-N 1 0 222.332 2.139 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCN(CC)C1 ZINC000133045899 358744375 /nfs/dbraw/zinc/74/43/75/358744375.db2.gz FLQZQMOMWWMZQC-UONOGXRCSA-N 1 0 242.407 2.266 10 0 BEAERO Cc1nc([C@H](C)[NH2+]CC2(CCO)CC2)cs1 ZINC000133149962 358746893 /nfs/dbraw/zinc/74/68/93/358746893.db2.gz GAKRTPQBCLVGTM-VIFPVBQESA-N 1 0 240.372 2.265 10 0 BEAERO Cc1cccc(CC[NH2+]Cc2nccn2C)c1 ZINC000051670143 358757182 /nfs/dbraw/zinc/75/71/82/358757182.db2.gz QDNFTZXCSIGRAA-UHFFFAOYSA-N 1 0 229.327 2.061 10 0 BEAERO CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)o1 ZINC000051721979 358760717 /nfs/dbraw/zinc/76/07/17/358760717.db2.gz COWNTULAOAGMEN-MFKMUULPSA-N 1 0 223.316 2.499 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCCN(C)C1 ZINC000132515266 491136469 /nfs/dbraw/zinc/13/64/69/491136469.db2.gz FPMXKPVTZMJGGO-YPMHNXCESA-N 1 0 210.365 2.249 10 0 BEAERO CC(C)[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1 ZINC000050395351 358726443 /nfs/dbraw/zinc/72/64/43/358726443.db2.gz JZPXWTBERVMVTH-UONOGXRCSA-N 1 0 246.354 2.252 10 0 BEAERO CC(C)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000132738820 358734895 /nfs/dbraw/zinc/73/48/95/358734895.db2.gz OLTZOLVNFVZQIM-UHFFFAOYSA-N 1 0 249.358 2.375 10 0 BEAERO CC(C)[C@H]([NH2+][C@H]1CCOC1)c1cccnc1 ZINC000134009806 358775580 /nfs/dbraw/zinc/77/55/80/358775580.db2.gz FFCZFQDSZXFOMA-STQMWFEESA-N 1 0 220.316 2.157 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(C)C1 ZINC000132518914 491136490 /nfs/dbraw/zinc/13/64/90/491136490.db2.gz OSXUCEAXSCLGOA-JHJVBQTASA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H](CC[NH3+])Nc1ncccc1C(F)(F)F ZINC000134273273 358785421 /nfs/dbraw/zinc/78/54/21/358785421.db2.gz NJSBJHGGPLSSFP-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO CCCCOCC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762393 358792579 /nfs/dbraw/zinc/79/25/79/358792579.db2.gz GNXAQSIQFNKDMR-CYBMUJFWSA-N 1 0 229.364 2.040 10 0 BEAERO C[C@@H]1C[NH2+][C@H]([C@H]2CCCSC2)SC1 ZINC000306150611 358872658 /nfs/dbraw/zinc/87/26/58/358872658.db2.gz DHEMKTQGVNWGFL-UTLUCORTSA-N 1 0 217.403 2.428 10 0 BEAERO CC[N@@H+]1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000135460754 358839437 /nfs/dbraw/zinc/83/94/37/358839437.db2.gz BBBPKCLMMDMKGB-KGLIPLIRSA-N 1 0 247.338 2.285 10 0 BEAERO CC(C)(C)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000020183600 166523616 /nfs/dbraw/zinc/52/36/16/166523616.db2.gz QOWLEKIBLLYSQJ-UHFFFAOYSA-N 1 0 234.343 2.020 10 0 BEAERO c1c[nH]c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)n1 ZINC000136725596 358885549 /nfs/dbraw/zinc/88/55/49/358885549.db2.gz DFOXKNYNJRAYNL-LBPRGKRZSA-N 1 0 249.358 2.381 10 0 BEAERO COCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000059180739 358919311 /nfs/dbraw/zinc/91/93/11/358919311.db2.gz KDPJTOBRCVGXMR-UHFFFAOYSA-N 1 0 235.327 2.211 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000308825881 491138259 /nfs/dbraw/zinc/13/82/59/491138259.db2.gz DQTNOVBVKIPJQK-RAIGVLPGSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@H](O)[C@H](C)S[C@@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000300336586 358962547 /nfs/dbraw/zinc/96/25/47/358962547.db2.gz ASPSHBHTDNCRIS-QEYWKRMJSA-N 1 0 217.378 2.005 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]2[NH3+])c(Br)c1 ZINC000306170400 358978874 /nfs/dbraw/zinc/97/88/74/358978874.db2.gz JUYKMCCGWPKCCZ-WPRPVWTQSA-N 1 0 242.116 2.272 10 0 BEAERO COc1ccc([C@H]2C[C@@H]2[NH3+])c(Br)c1 ZINC000306170396 358978960 /nfs/dbraw/zinc/97/89/60/358978960.db2.gz JUYKMCCGWPKCCZ-SCZZXKLOSA-N 1 0 242.116 2.272 10 0 BEAERO C[NH2+][C@@H]1COc2c1c(F)ccc2Cl ZINC000306167934 358975952 /nfs/dbraw/zinc/97/59/52/358975952.db2.gz IHGNOMFPTZIFPO-SSDOTTSWSA-N 1 0 201.628 2.132 10 0 BEAERO CC[C@H](C)[N@H+](C)CC(=O)NC(C)(C)CC ZINC000060575351 358927021 /nfs/dbraw/zinc/92/70/21/358927021.db2.gz GWIOLZSNRZSVHN-JTQLQIEISA-N 1 0 214.353 2.022 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]([C@]2(C)CCCS2)S1 ZINC000306155073 358941721 /nfs/dbraw/zinc/94/17/21/358941721.db2.gz CTNHSGAVYSUDHO-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO CCC[N@@H+]1CC[C@@](O)(c2ccsc2)C1 ZINC000306158141 358953102 /nfs/dbraw/zinc/95/31/02/358953102.db2.gz DIEXEKFXWVOYSN-NSHDSACASA-N 1 0 211.330 2.051 10 0 BEAERO C/C(=C/c1ccc(Br)cn1)C[NH3+] ZINC000130207884 358953118 /nfs/dbraw/zinc/95/31/18/358953118.db2.gz CAPZOGHSALQANO-DAXSKMNVSA-N 1 0 227.105 2.206 10 0 BEAERO Cc1nc(NC2CC2)c(Cl)cc1C[NH3+] ZINC000306196402 359025242 /nfs/dbraw/zinc/02/52/42/359025242.db2.gz QHEOTYAKANNMPL-UHFFFAOYSA-N 1 0 211.696 2.076 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ncnc2sccc21 ZINC000070010561 359037589 /nfs/dbraw/zinc/03/75/89/359037589.db2.gz PIOKJWAOMDUOGD-VIFPVBQESA-N 1 0 236.344 2.087 10 0 BEAERO CC[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)C(C)C ZINC000070143867 359043111 /nfs/dbraw/zinc/04/31/11/359043111.db2.gz RZZDBLWWNYQYKC-GFCCVEGCSA-N 1 0 238.379 2.010 10 0 BEAERO C[C@@H]1C[C@@H]1NC1=[NH+][C@H]2CCC[C@H]2CS1 ZINC000300402776 358989922 /nfs/dbraw/zinc/98/99/22/358989922.db2.gz QYCBJCWDGADGTA-KATARQTJSA-N 1 0 210.346 2.256 10 0 BEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000246436772 359086234 /nfs/dbraw/zinc/08/62/34/359086234.db2.gz OGHRXKVNJLRJPW-CZXHOFHRSA-N 1 0 248.374 2.007 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1cnc2ccccc2n1 ZINC000070463594 359056774 /nfs/dbraw/zinc/05/67/74/359056774.db2.gz ISFZSFMMIYYQEX-SNVBAGLBSA-N 1 0 230.315 2.025 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000070528882 359058269 /nfs/dbraw/zinc/05/82/69/359058269.db2.gz JVXUBWCXXSGCJC-AAEUAGOBSA-N 1 0 233.311 2.136 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC=CCC1 ZINC000247100117 359193672 /nfs/dbraw/zinc/19/36/72/359193672.db2.gz IJJORKOBCCMAJH-MCIONIFRSA-N 1 0 248.370 2.038 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1C=CCC1 ZINC000247558353 359234308 /nfs/dbraw/zinc/23/43/08/359234308.db2.gz ZWJILILBTWUGDQ-MCIONIFRSA-N 1 0 248.370 2.038 10 0 BEAERO CC(C)OCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248045656 359253064 /nfs/dbraw/zinc/25/30/64/359253064.db2.gz UXIUNVCARKASED-UONOGXRCSA-N 1 0 241.375 2.038 10 0 BEAERO CCCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247475521 359223651 /nfs/dbraw/zinc/22/36/51/359223651.db2.gz SDAOAQVJAQZAHH-CHWSQXEVSA-N 1 0 238.375 2.262 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(c2ncc(Cl)cn2)C1 ZINC000306212408 359307066 /nfs/dbraw/zinc/30/70/66/359307066.db2.gz VQTMFMTXAWTZBI-GMSGAONNSA-N 1 0 211.696 2.104 10 0 BEAERO O[C@H](c1cc(Cl)sc1Cl)C1C[NH2+]C1 ZINC000306214203 359314951 /nfs/dbraw/zinc/31/49/51/359314951.db2.gz WVZXTIOPWBFNPU-ZETCQYMHSA-N 1 0 238.139 2.308 10 0 BEAERO C[C@H]([NH3+])[C@](C)(F)c1ccc(F)c(F)c1 ZINC000306216069 359322538 /nfs/dbraw/zinc/32/25/38/359322538.db2.gz PCNKCOQDFRIFJO-WKEGUHRASA-N 1 0 203.207 2.497 10 0 BEAERO C[C@@H]([NH3+])[C@](C)(F)c1ccc(F)c(F)c1 ZINC000306216066 359322603 /nfs/dbraw/zinc/32/26/03/359322603.db2.gz PCNKCOQDFRIFJO-LDWIPMOCSA-N 1 0 203.207 2.497 10 0 BEAERO CC[C@@H]([NH2+]Cc1c(C)cnn1C)C(C)C ZINC000285602331 359325124 /nfs/dbraw/zinc/32/51/24/359325124.db2.gz YGXQXJZUPMEEGM-LLVKDONJSA-N 1 0 209.337 2.253 10 0 BEAERO O=C(c1ccsc1Cl)[C@@H]1CCC[NH2+]1 ZINC000306219437 359338265 /nfs/dbraw/zinc/33/82/65/359338265.db2.gz PYASAXHBJPSQFA-ZETCQYMHSA-N 1 0 215.705 2.336 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1ccsc1Cl ZINC000306260379 359478671 /nfs/dbraw/zinc/47/86/71/359478671.db2.gz UIUQRVJYLGHMTQ-NKWVEPMBSA-N 1 0 203.694 2.190 10 0 BEAERO C[C@H]([NH3+])[C@H](O)c1cc(Cl)sc1Cl ZINC000306255169 359460445 /nfs/dbraw/zinc/46/04/45/359460445.db2.gz MGDRREHPQRDDMG-DZSWIPIPSA-N 1 0 226.128 2.436 10 0 BEAERO C[C@@H]1CC[NH2+][C@H]([C@H]2C[C@@H](C)CCC2=O)C1 ZINC000130319537 359497340 /nfs/dbraw/zinc/49/73/40/359497340.db2.gz XBAIJERVMDLYMS-QCNOEVLYSA-N 1 0 209.333 2.380 10 0 BEAERO C[NH2+][C@H](C)Cc1coc(Br)c1 ZINC000306271749 359503991 /nfs/dbraw/zinc/50/39/91/359503991.db2.gz USJSOOQQFDKGEW-ZCFIWIBFSA-N 1 0 218.094 2.193 10 0 BEAERO Clc1cnccc1NCC1CC[NH2+]CC1 ZINC000086839758 359543278 /nfs/dbraw/zinc/54/32/78/359543278.db2.gz PBGXBWMRYLBXRL-UHFFFAOYSA-N 1 0 225.723 2.147 10 0 BEAERO CC(C)([NH3+])[C@@H](F)C(F)(F)Br ZINC000306314285 359595364 /nfs/dbraw/zinc/59/53/64/359595364.db2.gz NWYRKTVTJABDBH-GSVOUGTGSA-N 1 0 220.032 2.050 10 0 BEAERO CC1(C[NH2+]C[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000308988244 491141879 /nfs/dbraw/zinc/14/18/79/491141879.db2.gz MUISAXYLWAVWDN-RYUDHWBXSA-N 1 0 211.349 2.317 10 0 BEAERO CC1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCC1 ZINC000308988246 491141921 /nfs/dbraw/zinc/14/19/21/491141921.db2.gz MUISAXYLWAVWDN-VXGBXAGGSA-N 1 0 211.349 2.317 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000300593013 359634410 /nfs/dbraw/zinc/63/44/10/359634410.db2.gz YDNKTEKFLBSVMB-UPJWGTAASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CC1(C)C ZINC000309019258 491142505 /nfs/dbraw/zinc/14/25/05/491142505.db2.gz WBHSYIJKJWBIGW-IRCOFANPSA-N 1 0 211.349 2.314 10 0 BEAERO [NH3+][C@@H](c1ccsc1Cl)[C@@H]1CCOC1 ZINC000306348017 359667430 /nfs/dbraw/zinc/66/74/30/359667430.db2.gz FYHDENZXAITUDF-HTRCEHHLSA-N 1 0 217.721 2.438 10 0 BEAERO C[C@H]1CSC[C@@]12[NH2+]C[C@@H](C)CS2 ZINC000306349157 359669793 /nfs/dbraw/zinc/66/97/93/359669793.db2.gz JFALHFAUEYJNTO-VGMNWLOBSA-N 1 0 203.376 2.038 10 0 BEAERO O[C@@H](c1ccsc1Cl)[C@@H]1CCC[NH2+]1 ZINC000306367996 359698849 /nfs/dbraw/zinc/69/88/49/359698849.db2.gz AMVXKAWMKIEWLS-YUMQZZPRSA-N 1 0 217.721 2.187 10 0 BEAERO [NH3+][C@H](c1ccoc1Br)C1=COCC1 ZINC000306369168 359698905 /nfs/dbraw/zinc/69/89/05/359698905.db2.gz IDAQYYQLIUKXFU-QMMMGPOBSA-N 1 0 244.088 2.346 10 0 BEAERO [NH3+]CC[C@H](O)c1cccc2ccsc21 ZINC000130399652 359750313 /nfs/dbraw/zinc/75/03/13/359750313.db2.gz VBLNXLWDPNYGAE-JTQLQIEISA-N 1 0 207.298 2.284 10 0 BEAERO C[C@H](c1ccsc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000224467660 359725522 /nfs/dbraw/zinc/72/55/22/359725522.db2.gz QVWHGVOCLTUFER-NXEZZACHSA-N 1 0 211.330 2.123 10 0 BEAERO C[NH2+]C(C)(C)[C@@H](F)C(F)(F)Br ZINC000306410992 359818464 /nfs/dbraw/zinc/81/84/64/359818464.db2.gz SSVGYULLTFBXPY-SCSAIBSYSA-N 1 0 234.059 2.310 10 0 BEAERO COC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000169229564 359826366 /nfs/dbraw/zinc/82/63/66/359826366.db2.gz FNEHDLWTPJZEPG-RYUDHWBXSA-N 1 0 223.316 2.123 10 0 BEAERO Cl/C=C(/Cl)C[NH2+][C@@H]1CCSC1 ZINC000231352018 359902096 /nfs/dbraw/zinc/90/20/96/359902096.db2.gz FYBPFWKHECXUCO-XUTFHDRNSA-N 1 0 212.145 2.401 10 0 BEAERO C[C@H]1[NH+]=C(N[C@@H]2CCSC2)SC[C@H]1C ZINC000231359806 359915253 /nfs/dbraw/zinc/91/52/53/359915253.db2.gz OAGCPNKXBCYSLR-IWSPIJDZSA-N 1 0 230.402 2.209 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1csc(Br)c1 ZINC000306433179 359940228 /nfs/dbraw/zinc/94/02/28/359940228.db2.gz WANVCRUGJAWXAD-WDSKDSINSA-N 1 0 218.119 2.325 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000088521615 359964825 /nfs/dbraw/zinc/96/48/25/359964825.db2.gz GVHMQPUXGXLECV-GFCCVEGCSA-N 1 0 210.365 2.203 10 0 BEAERO FC(F)(F)[C@@H]1CC[C@@H]1[NH2+]C1CSC1 ZINC000306449335 360015944 /nfs/dbraw/zinc/01/59/44/360015944.db2.gz YDALIYLCYSILGP-RQJHMYQMSA-N 1 0 211.252 2.032 10 0 BEAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CCCSC2)S1 ZINC000306448742 360016276 /nfs/dbraw/zinc/01/62/76/360016276.db2.gz JORGHSWCVDBLQS-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO FC(F)(F)[C@H]1CC[C@@H]1[NH2+]C1CSC1 ZINC000306449332 360016298 /nfs/dbraw/zinc/01/62/98/360016298.db2.gz YDALIYLCYSILGP-BQBZGAKWSA-N 1 0 211.252 2.032 10 0 BEAERO [NH3+][C@H](Cc1csc(Cl)c1)[C@@H]1CCOC1 ZINC000306471154 360094862 /nfs/dbraw/zinc/09/48/62/360094862.db2.gz RKFBRZROUZXRJB-RKDXNWHRSA-N 1 0 231.748 2.308 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090226099 360066860 /nfs/dbraw/zinc/06/68/60/360066860.db2.gz BNDNFGLXJLRDRR-JBLDHEPKSA-N 1 0 236.363 2.446 10 0 BEAERO CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000138119787 360075349 /nfs/dbraw/zinc/07/53/49/360075349.db2.gz JFMOHUZBQMYOEV-KBPBESRZSA-N 1 0 219.328 2.279 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000138119696 360075468 /nfs/dbraw/zinc/07/54/68/360075468.db2.gz JFMOHUZBQMYOEV-KGLIPLIRSA-N 1 0 219.328 2.279 10 0 BEAERO CC(C)(C)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070200 360150097 /nfs/dbraw/zinc/15/00/97/360150097.db2.gz PVQPWRZNOPLWMD-LBPRGKRZSA-N 1 0 236.363 2.036 10 0 BEAERO Cc1ccoc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000092785239 360196629 /nfs/dbraw/zinc/19/66/29/360196629.db2.gz YNGKNABOGCBZED-GFCCVEGCSA-N 1 0 223.316 2.325 10 0 BEAERO [NH3+][C@@H](c1ccc(Br)o1)C1=COCC1 ZINC000306484319 360159397 /nfs/dbraw/zinc/15/93/97/360159397.db2.gz PSMXOYDQVVNYLD-SECBINFHSA-N 1 0 244.088 2.346 10 0 BEAERO C[C@@H]1C[C@]2(CN1Cc1ccccc1)[NH2+]CCS2 ZINC000306485963 360162235 /nfs/dbraw/zinc/16/22/35/360162235.db2.gz OGBQLBKULWLTOK-OCCSQVGLSA-N 1 0 248.395 2.314 10 0 BEAERO c1csc(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000092648213 360187647 /nfs/dbraw/zinc/18/76/47/360187647.db2.gz DXUNPZVLFWQNCH-UHFFFAOYSA-N 1 0 248.355 2.177 10 0 BEAERO c1ncn(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000092647641 360187874 /nfs/dbraw/zinc/18/78/74/360187874.db2.gz UWFDENVMRHKGQJ-CYBMUJFWSA-N 1 0 246.358 2.271 10 0 BEAERO C1CSC[C@H]([N@@H+]2CCCSCC2)C1 ZINC000306491976 360210049 /nfs/dbraw/zinc/21/00/49/360210049.db2.gz PKGLFCUNAFSZNG-SNVBAGLBSA-N 1 0 217.403 2.321 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H](C)CC ZINC000093081596 360215351 /nfs/dbraw/zinc/21/53/51/360215351.db2.gz FHTFJOLUDPLPGR-WDEREUQCSA-N 1 0 236.363 2.311 10 0 BEAERO [NH3+][C@H]1CC[C@@H](CC(=O)c2ccccc2)C1 ZINC000306493879 360216937 /nfs/dbraw/zinc/21/69/37/360216937.db2.gz SQNPHYBVJKEYLT-PWSUYJOCSA-N 1 0 203.285 2.387 10 0 BEAERO c1coc([C@@H]2CCCN2Cc2c[nH]cn2)c1 ZINC000093335181 360232410 /nfs/dbraw/zinc/23/24/10/360232410.db2.gz QPZLJQLHOXFEJL-NSHDSACASA-N 1 0 217.272 2.340 10 0 BEAERO Cn1nccc1CN1CCC[C@H]1c1ccco1 ZINC000093335304 360232780 /nfs/dbraw/zinc/23/27/80/360232780.db2.gz ONOOYGVBWZTMRA-LBPRGKRZSA-N 1 0 231.299 2.350 10 0 BEAERO [NH3+][C@H](Cc1csc(Cl)c1)[C@H]1CCCO1 ZINC000306515373 360341247 /nfs/dbraw/zinc/34/12/47/360341247.db2.gz DELDGDKMZZRUFL-RKDXNWHRSA-N 1 0 231.748 2.450 10 0 BEAERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cn1 ZINC000094449649 360309328 /nfs/dbraw/zinc/30/93/28/360309328.db2.gz GQDRMGMLCNLDNG-ZFWWWQNUSA-N 1 0 245.370 2.059 10 0 BEAERO [NH3+]CCNc1cc(Cl)cc(Br)c1 ZINC000306533419 360394514 /nfs/dbraw/zinc/39/45/14/360394514.db2.gz HVCDGJCPVRETJF-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO CCN(C[C@H](C)C[NH3+])C(=O)CC1CCCCC1 ZINC000042441763 169889887 /nfs/dbraw/zinc/88/98/87/169889887.db2.gz VFDKHACNTXWTAP-GFCCVEGCSA-N 1 0 240.391 2.400 10 0 BEAERO COC1([C@H]2[NH2+]C[C@H](C)S2)CCCCC1 ZINC000306536962 360403430 /nfs/dbraw/zinc/40/34/30/360403430.db2.gz KYGOBGDORRYVBI-UWVGGRQHSA-N 1 0 215.362 2.387 10 0 BEAERO CC[C@]1([C@@H]2CCOC2)[NH2+][C@H](C)CCS1 ZINC000306545439 360414363 /nfs/dbraw/zinc/41/43/63/360414363.db2.gz VXDIKEWZBNMVPI-MXWKQRLJSA-N 1 0 215.362 2.244 10 0 BEAERO [NH3+]CC1(c2c(Cl)cccc2Cl)OCCO1 ZINC000306559754 360434755 /nfs/dbraw/zinc/43/47/55/360434755.db2.gz ATDGYWDBCPZFBG-UHFFFAOYSA-N 1 0 248.109 2.152 10 0 BEAERO C/C(=C/c1cn2ccsc2n1)[C@@H](C)[NH3+] ZINC000393691198 360475897 /nfs/dbraw/zinc/47/58/97/360475897.db2.gz QWRZDLZKOCOPFH-GRKOMRHMSA-N 1 0 207.302 2.146 10 0 BEAERO [NH3+][C@H](C[C@H]1CCCCO1)c1ccns1 ZINC000306592128 360510435 /nfs/dbraw/zinc/51/04/35/360510435.db2.gz WBXCFXLXNIPESB-RKDXNWHRSA-N 1 0 212.318 2.102 10 0 BEAERO CC[C@@H](C(N)=S)[N@@H+]1CCCC(C)(C)C1 ZINC000069793354 360556463 /nfs/dbraw/zinc/55/64/63/360556463.db2.gz MJYAXGCFMBXUDK-VIFPVBQESA-N 1 0 214.378 2.173 10 0 BEAERO Cc1ccc([C@H]2[C@@H]([NH3+])CCCN2C)s1 ZINC000069798556 360557812 /nfs/dbraw/zinc/55/78/12/360557812.db2.gz FQRWSNZJFFPWQY-GXSJLCMTSA-N 1 0 210.346 2.151 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000036158167 360683590 /nfs/dbraw/zinc/68/35/90/360683590.db2.gz PAWJUHGNNQLNCD-SNVBAGLBSA-N 1 0 207.273 2.461 10 0 BEAERO CC(C)([NH3+])c1nc2c(cccc2Cl)[nH]1 ZINC000040911299 360747150 /nfs/dbraw/zinc/74/71/50/360747150.db2.gz WEINEOFBOHONMU-UHFFFAOYSA-N 1 0 209.680 2.410 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000309549240 491151079 /nfs/dbraw/zinc/15/10/79/491151079.db2.gz HPPNCCRSBDAXGO-INTQDDNPSA-N 1 0 240.372 2.406 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CCSCC1 ZINC000309550562 491151173 /nfs/dbraw/zinc/15/11/73/491151173.db2.gz ICOZMMQAQGYLKL-UHTWSYAYSA-N 1 0 243.416 2.411 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000138509517 360779280 /nfs/dbraw/zinc/77/92/80/360779280.db2.gz GZVVTNVCITWMJU-NSHDSACASA-N 1 0 203.285 2.259 10 0 BEAERO COc1ccc(-c2cnn(CCC[NH3+])c2)c(C)c1 ZINC000381155164 360877541 /nfs/dbraw/zinc/87/75/41/360877541.db2.gz NCCTWIDWHIRXRD-UHFFFAOYSA-N 1 0 245.326 2.216 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)c(F)c1 ZINC000631104924 360948360 /nfs/dbraw/zinc/94/83/60/360948360.db2.gz QBCIVOKJXDDPOR-GXFFZTMASA-N 1 0 223.291 2.401 10 0 BEAERO Cn1cc(C[NH2+][C@H]2CCC[C@H]2CCF)cn1 ZINC000286009744 200811321 /nfs/dbraw/zinc/81/13/21/200811321.db2.gz JDQJEYSIYUCYON-RYUDHWBXSA-N 1 0 225.311 2.038 10 0 BEAERO C[C@@H]1C[N@@H+](CC(=O)C(C)(C)C)C[C@H](C)S1 ZINC000069908911 361015038 /nfs/dbraw/zinc/01/50/38/361015038.db2.gz RXYIVVOBVSBOAW-AOOOYVTPSA-N 1 0 229.389 2.427 10 0 BEAERO C[C@H]1C[NH+](CC(=O)C(C)(C)C)C[C@H](C)S1 ZINC000069908912 361015136 /nfs/dbraw/zinc/01/51/36/361015136.db2.gz RXYIVVOBVSBOAW-UWVGGRQHSA-N 1 0 229.389 2.427 10 0 BEAERO [NH3+]C1(C(=O)N(Cc2ccco2)C2CC2)CCCC1 ZINC000037806148 181324045 /nfs/dbraw/zinc/32/40/45/181324045.db2.gz XFTBIFRLDQESHA-UHFFFAOYSA-N 1 0 248.326 2.042 10 0 BEAERO Fc1ccc(F)c(C2C[NH2+]C2)c1Cl ZINC000238566488 361152995 /nfs/dbraw/zinc/15/29/95/361152995.db2.gz DOMXTVSUNNDUQG-UHFFFAOYSA-N 1 0 203.619 2.305 10 0 BEAERO [NH3+]C1(C(=O)N2C[C@H]3CCCCC[C@@H]32)CCCC1 ZINC000368396562 181324574 /nfs/dbraw/zinc/32/45/74/181324574.db2.gz DTQZMGPBTWRYNC-NEPJUHHUSA-N 1 0 236.359 2.049 10 0 BEAERO CCc1ccc(-c2c[nH]c(C[NH3+])n2)s1 ZINC000041062378 361243137 /nfs/dbraw/zinc/24/31/37/361243137.db2.gz HPIXBNPLOWPNSA-UHFFFAOYSA-N 1 0 207.302 2.159 10 0 BEAERO CCC[C@H](C)C[NH2+]CC1(OC)CCOCC1 ZINC000133501801 491155536 /nfs/dbraw/zinc/15/55/36/491155536.db2.gz YVCDTPSSZCDVSV-LBPRGKRZSA-N 1 0 229.364 2.208 10 0 BEAERO [NH3+]C1(C(=O)c2ccc(F)cc2)CCCC1 ZINC000011630604 181330557 /nfs/dbraw/zinc/33/05/57/181330557.db2.gz LAGDBBTXYSGVCR-UHFFFAOYSA-N 1 0 207.248 2.280 10 0 BEAERO CS[C@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162593680 361357187 /nfs/dbraw/zinc/35/71/87/361357187.db2.gz RVZMPJREYOWZRP-RCWTZXSCSA-N 1 0 229.389 2.141 10 0 BEAERO [NH3+]C1(c2cc(F)c(F)c(F)c2F)CC1 ZINC000075934177 181333853 /nfs/dbraw/zinc/33/38/53/181333853.db2.gz XDVIBZOUOUOWPY-UHFFFAOYSA-N 1 0 205.154 2.191 10 0 BEAERO [NH3+]C1(c2csc(C(F)(F)F)n2)CC1 ZINC000083287576 181335302 /nfs/dbraw/zinc/33/53/02/181335302.db2.gz BXDQMOIQLSJCKT-UHFFFAOYSA-N 1 0 208.208 2.110 10 0 BEAERO [NH3+]C1(c2nc(-c3cccnc3)c[nH]2)CCCC1 ZINC000037616875 181335349 /nfs/dbraw/zinc/33/53/49/181335349.db2.gz SAHQXSWDQIXLOF-UHFFFAOYSA-N 1 0 228.299 2.200 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000309913218 491158147 /nfs/dbraw/zinc/15/81/47/491158147.db2.gz NXXIDJDSAFVEEF-WCBMZHEXSA-N 1 0 238.356 2.288 10 0 BEAERO [NH3+]C1(c2nc(C(F)(F)F)cs2)CCC1 ZINC000061713582 181334606 /nfs/dbraw/zinc/33/46/06/181334606.db2.gz JTBVOSNMBLJLQO-UHFFFAOYSA-N 1 0 222.235 2.500 10 0 BEAERO [NH3+]C1(c2cccc([C@@H]3CCOCOC3)c2)CC1 ZINC000095938192 181334961 /nfs/dbraw/zinc/33/49/61/181334961.db2.gz MOAUDQOGYBFAEA-GFCCVEGCSA-N 1 0 233.311 2.112 10 0 BEAERO C[C@@H]1CCC[C@H](CCN2CCC(=O)C2)C1 ZINC000070532642 361531543 /nfs/dbraw/zinc/53/15/43/361531543.db2.gz MYQNFOKMYVROSQ-VXGBXAGGSA-N 1 0 209.333 2.478 10 0 BEAERO CCN(CCC[NH3+])C(=O)Cc1cc(C)ccc1C ZINC000053141169 169828932 /nfs/dbraw/zinc/82/89/32/169828932.db2.gz ICOPXENLYVVAJV-UHFFFAOYSA-N 1 0 248.370 2.043 10 0 BEAERO [NH2+]=C1N[C@@H](c2ccco2)Cc2ccsc21 ZINC000025978693 181339286 /nfs/dbraw/zinc/33/92/86/181339286.db2.gz WAOKDGZAIYAHLD-MRVPVSSYSA-N 1 0 218.281 2.344 10 0 BEAERO C[C@H](c1ccc(F)cc1Cl)N1CC[NH2+]CC1 ZINC000070602691 361588915 /nfs/dbraw/zinc/58/89/15/361588915.db2.gz XLGOXXKLIHSNSH-SECBINFHSA-N 1 0 242.725 2.445 10 0 BEAERO [NH3+]C1CC(c2ccc(OC(F)F)cc2)C1 ZINC000050225009 181340540 /nfs/dbraw/zinc/34/05/40/181340540.db2.gz ZLMQVOYMGOGPGM-UHFFFAOYSA-N 1 0 213.227 2.493 10 0 BEAERO CCOc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000038005607 361637548 /nfs/dbraw/zinc/63/75/48/361637548.db2.gz SHXGCBKQWJDGMA-UHFFFAOYSA-N 1 0 231.299 2.098 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1nccs1 ZINC000083143000 491159976 /nfs/dbraw/zinc/15/99/76/491159976.db2.gz OTYYICYJAYNCFP-AEJSXWLSSA-N 1 0 226.345 2.097 10 0 BEAERO [NH3+]C1CCC([S@@](=O)c2ccc(F)cc2)CC1 ZINC000055144780 181342161 /nfs/dbraw/zinc/34/21/61/181342161.db2.gz XCIZXMXJCCWWDH-GURQAQJRSA-N 1 0 241.331 2.203 10 0 BEAERO C[C@@H]1Cc2c(cc(F)c(F)c2F)C[NH2+]1 ZINC000070622358 361666496 /nfs/dbraw/zinc/66/64/96/361666496.db2.gz GQXYGNHVDHBQNR-RXMQYKEDSA-N 1 0 201.191 2.138 10 0 BEAERO C[C@H]1Cc2c(cc(F)c(F)c2F)C[NH2+]1 ZINC000070622359 361666820 /nfs/dbraw/zinc/66/68/20/361666820.db2.gz GQXYGNHVDHBQNR-YFKPBYRVSA-N 1 0 201.191 2.138 10 0 BEAERO [NH3+]C1CCC([S@@](=O)c2cccs2)CC1 ZINC000055144840 181342683 /nfs/dbraw/zinc/34/26/83/181342683.db2.gz QCORWFNTZQDYRR-CTCYHXBNSA-N 1 0 229.370 2.126 10 0 BEAERO CCn1nc(C)cc1-c1cccc(CC[NH3+])c1 ZINC000629743372 361679430 /nfs/dbraw/zinc/67/94/30/361679430.db2.gz HJOQAIWNTKVZRI-UHFFFAOYSA-N 1 0 229.327 2.380 10 0 BEAERO [NH3+]C[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000070627282 361680612 /nfs/dbraw/zinc/68/06/12/361680612.db2.gz IDMDGRJUQKBFCT-KOLCDFICSA-N 1 0 211.692 2.376 10 0 BEAERO CC(=O)NC1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000155201220 201305512 /nfs/dbraw/zinc/30/55/12/201305512.db2.gz NUABHAHCZWRBNQ-PKSQDBQZSA-N 1 0 226.364 2.068 10 0 BEAERO COCc1cc(-c2ncc(C[NH3+])s2)cs1 ZINC000629749587 361682161 /nfs/dbraw/zinc/68/21/61/361682161.db2.gz SDPGJUWDDRSAGC-UHFFFAOYSA-N 1 0 240.353 2.477 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000310021881 491160213 /nfs/dbraw/zinc/16/02/13/491160213.db2.gz NTXPQLQFAVZSGM-LPEHRKFASA-N 1 0 239.281 2.468 10 0 BEAERO [NH3+]C1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000055143377 181342867 /nfs/dbraw/zinc/34/28/67/181342867.db2.gz SZMQYJFRFKAUIY-UHFFFAOYSA-N 1 0 243.310 2.279 10 0 BEAERO NC(=S)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000070663026 361708130 /nfs/dbraw/zinc/70/81/30/361708130.db2.gz WFXITQXCXCPTEM-LBPRGKRZSA-N 1 0 234.368 2.327 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cn1 ZINC000156027070 201383971 /nfs/dbraw/zinc/38/39/71/201383971.db2.gz LNBCKRHNUVAFHC-KBPBESRZSA-N 1 0 234.343 2.031 10 0 BEAERO [NH3+]CC(=O)Nc1ccccc1-c1cccs1 ZINC000037032811 181354859 /nfs/dbraw/zinc/35/48/59/181354859.db2.gz CSYBKNVYJRTSQS-UHFFFAOYSA-N 1 0 232.308 2.312 10 0 BEAERO Cc1nc(N[C@H]2CC[C@H](C)[NH2+]C2)sc1C ZINC000630533003 364222946 /nfs/dbraw/zinc/22/29/46/364222946.db2.gz MNHRRRPGQAUXAD-XVKPBYJWSA-N 1 0 225.361 2.312 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc(Cl)cc1F ZINC000630526995 364214720 /nfs/dbraw/zinc/21/47/20/364214720.db2.gz GDGXAJSGVDMGRL-VHSXEESVSA-N 1 0 243.713 2.427 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1Cl ZINC000630530291 364219207 /nfs/dbraw/zinc/21/92/07/364219207.db2.gz ZURBDNIPSBAFHR-VHSXEESVSA-N 1 0 225.723 2.287 10 0 BEAERO [NH3+][C@@H]1CCCCCN(c2ccc(Cl)cn2)C1 ZINC000630549276 364242318 /nfs/dbraw/zinc/24/23/18/364242318.db2.gz JRMXWGXTJMNODY-LLVKDONJSA-N 1 0 239.750 2.443 10 0 BEAERO CC(C)c1cc(N2CCCCC[C@@H]([NH3+])C2)ncn1 ZINC000630551136 364245275 /nfs/dbraw/zinc/24/52/75/364245275.db2.gz ZXRYVNRYXHQJHH-GFCCVEGCSA-N 1 0 248.374 2.308 10 0 BEAERO CCc1cc(N2CCCCC[C@H]([NH3+])C2)nc(C)n1 ZINC000630548964 364246484 /nfs/dbraw/zinc/24/64/84/364246484.db2.gz LAKLQBUPQABICB-LBPRGKRZSA-N 1 0 248.374 2.055 10 0 BEAERO C[C@@H]1CN(c2ccc3ccccc3n2)C[C@H]1C[NH3+] ZINC000630566695 364263631 /nfs/dbraw/zinc/26/36/31/364263631.db2.gz FLGODRVILRPHRH-DGCLKSJQSA-N 1 0 241.338 2.266 10 0 BEAERO [NH3+][C@H](CCNc1ccccn1)Cc1ccccc1 ZINC000630572279 364268258 /nfs/dbraw/zinc/26/82/58/364268258.db2.gz QOCVVMHQJXSCJR-CQSZACIVSA-N 1 0 241.338 2.454 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ncnc3ccsc32)C[NH2+]1 ZINC000630533786 364226160 /nfs/dbraw/zinc/22/61/60/364226160.db2.gz RHESHPZUFPGXKC-RKDXNWHRSA-N 1 0 248.355 2.244 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ccc(Cl)cn2)C[NH2+]1 ZINC000630534206 364226992 /nfs/dbraw/zinc/22/69/92/364226992.db2.gz JABYMVZTFUSWDR-PSASIEDQSA-N 1 0 225.723 2.287 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ccc(Cl)cn2)C[NH2+]1 ZINC000630534209 364227101 /nfs/dbraw/zinc/22/71/01/364227101.db2.gz JABYMVZTFUSWDR-WCBMZHEXSA-N 1 0 225.723 2.287 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ccc3ccccc3n2)C[NH2+]1 ZINC000630534837 364229900 /nfs/dbraw/zinc/22/99/00/364229900.db2.gz PJEIWUVYOIBQOE-WCQYABFASA-N 1 0 241.338 2.209 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000134543507 364405664 /nfs/dbraw/zinc/40/56/64/364405664.db2.gz YCOPIIIXXIEAAE-LDYMZIIASA-N 1 0 226.707 2.002 10 0 BEAERO CC[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000037626426 364354346 /nfs/dbraw/zinc/35/43/46/364354346.db2.gz KAAHEGVTRMXUAR-HIFPTAJRSA-N 1 0 238.375 2.153 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]CCCCSC ZINC000133924300 364378921 /nfs/dbraw/zinc/37/89/21/364378921.db2.gz RFLCJVDDFISOII-VHSXEESVSA-N 1 0 205.367 2.143 10 0 BEAERO [NH3+]CC1=CCc2ccc(Br)cc21 ZINC000071485631 181363418 /nfs/dbraw/zinc/36/34/18/181363418.db2.gz ZWROGAZAPNKKCY-UHFFFAOYSA-N 1 0 224.101 2.347 10 0 BEAERO CCN(CCC[NH3+])C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000036731081 169829063 /nfs/dbraw/zinc/82/90/63/169829063.db2.gz WQOZBXGAKYRVRC-XQQFMLRXSA-N 1 0 238.375 2.010 10 0 BEAERO [NH3+]CC1CCN(c2nsc3ccccc32)CC1 ZINC000090397596 181365050 /nfs/dbraw/zinc/36/50/50/181365050.db2.gz LGYHGEXZZLBTEE-UHFFFAOYSA-N 1 0 247.367 2.471 10 0 BEAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](C)CO ZINC000135125806 541361587 /nfs/dbraw/zinc/36/15/87/541361587.db2.gz RRIPGLDGXXHUTN-UWVGGRQHSA-N 1 0 241.306 2.113 10 0 BEAERO Cc1cc(C[NH3+])ccc1OCC(F)(F)F ZINC000037733301 364563403 /nfs/dbraw/zinc/56/34/03/364563403.db2.gz WUSXJGWHTKGSFX-UHFFFAOYSA-N 1 0 219.206 2.395 10 0 BEAERO CC[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247887115 364624776 /nfs/dbraw/zinc/62/47/76/364624776.db2.gz DISMFCPZFZEBAW-AVGNSLFASA-N 1 0 211.349 2.412 10 0 BEAERO [NH3+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000011755269 181368969 /nfs/dbraw/zinc/36/89/69/181368969.db2.gz XNGVMSIKSGRJNV-UHFFFAOYSA-N 1 0 233.098 2.281 10 0 BEAERO Cc1cnccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000573315822 364795520 /nfs/dbraw/zinc/79/55/20/364795520.db2.gz UFSJMHGCLUUNEL-AWEZNQCLSA-N 1 0 234.343 2.127 10 0 BEAERO [NH3+]CCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000037804739 181371126 /nfs/dbraw/zinc/37/11/26/181371126.db2.gz BAYIKYCCIWDUMS-UHFFFAOYSA-N 1 0 244.338 2.041 10 0 BEAERO c1ccc2c(C[NH2+][C@H]3CCOC3)ccnc2c1 ZINC000095015767 541387871 /nfs/dbraw/zinc/38/78/71/541387871.db2.gz AYRHOWNMQBWXAB-LBPRGKRZSA-N 1 0 228.295 2.113 10 0 BEAERO [NH3+]CCCCc1ccc2c(c1)CCCO2 ZINC000062569422 181378757 /nfs/dbraw/zinc/37/87/57/181378757.db2.gz LLGZSYKEMGUDJW-UHFFFAOYSA-N 1 0 205.301 2.293 10 0 BEAERO [NH3+]CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037713801 181384156 /nfs/dbraw/zinc/38/41/56/181384156.db2.gz SLBKILYRXHYKML-LLVKDONJSA-N 1 0 240.347 2.301 10 0 BEAERO [NH3+]CCCOCc1cccc(Br)c1 ZINC000028522078 181384387 /nfs/dbraw/zinc/38/43/87/181384387.db2.gz CWQUAAOHTLWORT-UHFFFAOYSA-N 1 0 244.132 2.315 10 0 BEAERO [NH3+]CCCSc1nnc(Cc2ccccc2)o1 ZINC000032104525 181384915 /nfs/dbraw/zinc/38/49/15/181384915.db2.gz ZLZKNPPLCFHRIT-UHFFFAOYSA-N 1 0 249.339 2.101 10 0 BEAERO [NH3+]CCCOc1ncc(Cl)cc1Cl ZINC000051870666 181385032 /nfs/dbraw/zinc/38/50/32/181385032.db2.gz ZZQYNCPLMCUTQD-UHFFFAOYSA-N 1 0 221.087 2.116 10 0 BEAERO [NH3+]CCC[C@@H]1C(=O)Nc2c1cccc2Cl ZINC000084782948 181385888 /nfs/dbraw/zinc/38/58/88/181385888.db2.gz ADMABNHZKKQQCE-QMMMGPOBSA-N 1 0 224.691 2.115 10 0 BEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000084516202 181386028 /nfs/dbraw/zinc/38/60/28/181386028.db2.gz BNQFZZPIWIFENP-CYBMUJFWSA-N 1 0 232.327 2.030 10 0 BEAERO [NH3+]CCCc1nc(-c2ccccc2F)c[nH]1 ZINC000036874295 181387005 /nfs/dbraw/zinc/38/70/05/181387005.db2.gz CJRUOZMSSCKVGY-UHFFFAOYSA-N 1 0 219.263 2.107 10 0 BEAERO [NH3+]CCCc1nc(-c2ccccc2Cl)n[nH]1 ZINC000072236599 181387224 /nfs/dbraw/zinc/38/72/24/181387224.db2.gz KGEUTWVRKGZLBB-UHFFFAOYSA-N 1 0 236.706 2.016 10 0 BEAERO [NH3+]CCCc1n[nH]c2ccc(Cl)cc21 ZINC000082950255 181387675 /nfs/dbraw/zinc/38/76/75/181387675.db2.gz ZJTVRIRKRJFJAO-UHFFFAOYSA-N 1 0 209.680 2.108 10 0 BEAERO [NH3+]CCCc1nnc(-c2ccc3c(c2)CCC3)o1 ZINC000050283597 181388004 /nfs/dbraw/zinc/38/80/04/181388004.db2.gz UVOXBUULFCAKNM-UHFFFAOYSA-N 1 0 243.310 2.117 10 0 BEAERO [NH3+]CCN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000062620188 181396701 /nfs/dbraw/zinc/39/67/01/181396701.db2.gz FPTNMCSDBAYRPG-NSHDSACASA-N 1 0 240.734 2.102 10 0 BEAERO NCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000074339335 181397058 /nfs/dbraw/zinc/39/70/58/181397058.db2.gz XTUAJSCMFSCRIV-UHFFFAOYSA-N 1 0 240.350 2.367 10 0 BEAERO [NH3+]CCNC1c2ccccc2Oc2ccccc21 ZINC000037712745 181397866 /nfs/dbraw/zinc/39/78/66/181397866.db2.gz AVUANKAIJUOEOZ-UHFFFAOYSA-N 1 0 240.306 2.430 10 0 BEAERO [NH3+]CCOCc1cc(Br)ccc1F ZINC000051864400 181399604 /nfs/dbraw/zinc/39/96/04/181399604.db2.gz PYCRDHLEANSHMT-UHFFFAOYSA-N 1 0 248.095 2.064 10 0 BEAERO [NH3+]CC[C@H](O)c1ccc2ccccc2c1 ZINC000044471049 181408132 /nfs/dbraw/zinc/40/81/32/181408132.db2.gz YRMZKEAWQNBUOA-ZDUSSCGKSA-N 1 0 201.269 2.222 10 0 BEAERO [NH3+]CC[C@@H](O)c1csc2ccccc21 ZINC000083557793 181403610 /nfs/dbraw/zinc/40/36/10/181403610.db2.gz MVJNPPSDCBFSLK-SNVBAGLBSA-N 1 0 207.298 2.284 10 0 BEAERO [NH3+]CCc1ccc(F)cc1C(F)(F)F ZINC000044248588 181411951 /nfs/dbraw/zinc/41/19/51/181411951.db2.gz AJWOYIRAGIYFBR-UHFFFAOYSA-N 1 0 207.170 2.346 10 0 BEAERO [NH3+]CCc1nccn1Cc1cccc(Cl)c1 ZINC000052304108 181414286 /nfs/dbraw/zinc/41/42/86/181414286.db2.gz RGVCYXBITWLSON-UHFFFAOYSA-N 1 0 235.718 2.086 10 0 BEAERO [NH3+]CCc1nnc(-c2csc3ccccc23)o1 ZINC000050283848 181414349 /nfs/dbraw/zinc/41/43/49/181414349.db2.gz PMTCINTYPKQFIX-UHFFFAOYSA-N 1 0 245.307 2.453 10 0 BEAERO [NH3+]C[C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000071522149 181418707 /nfs/dbraw/zinc/41/87/07/181418707.db2.gz NRNKEWMXHWUYFB-ZETCQYMHSA-N 1 0 220.099 2.028 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)C(C)C ZINC000171970434 365264192 /nfs/dbraw/zinc/26/41/92/365264192.db2.gz SHXFAEGXQJMJAW-QWHCGFSZSA-N 1 0 242.407 2.371 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000576173407 365510097 /nfs/dbraw/zinc/51/00/97/365510097.db2.gz OXLMXPRGCMSYKV-RYUDHWBXSA-N 1 0 208.349 2.003 10 0 BEAERO COc1c(C[N@H+](C)CCC(C)C)c(C)nn1C ZINC000180047166 541505818 /nfs/dbraw/zinc/50/58/18/541505818.db2.gz TZFRXNNIIBGCSL-UHFFFAOYSA-N 1 0 239.363 2.215 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(C2CC2)n1C ZINC000183061957 366972551 /nfs/dbraw/zinc/97/25/51/366972551.db2.gz SHYNYFMHLUBDKX-UWVGGRQHSA-N 1 0 236.363 2.217 10 0 BEAERO CCC[C@H](C)c1cc2nccc(C[NH3+])n2n1 ZINC000233342193 541508325 /nfs/dbraw/zinc/50/83/25/541508325.db2.gz XSUIWCHFCREISE-VIFPVBQESA-N 1 0 218.304 2.092 10 0 BEAERO CC(C)C1CC([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000380261971 367163589 /nfs/dbraw/zinc/16/35/89/367163589.db2.gz RUXNZKMPHOIVAL-MCIGGMRASA-N 1 0 213.365 2.418 10 0 BEAERO CCn1c(C)nnc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195008956 367332194 /nfs/dbraw/zinc/33/21/94/367332194.db2.gz SWDKACFNDKUPDY-GHMZBOCLSA-N 1 0 236.363 2.084 10 0 BEAERO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000381363044 367387712 /nfs/dbraw/zinc/38/77/12/367387712.db2.gz DLWXAHGYWLUPQN-RWMBFGLXSA-N 1 0 231.355 2.369 10 0 BEAERO CCc1csc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382449410 367525830 /nfs/dbraw/zinc/52/58/30/367525830.db2.gz CXWHLBGQMYYPTO-WCBMZHEXSA-N 1 0 225.361 2.245 10 0 BEAERO CC(C)(C)c1ccnc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382431105 367522823 /nfs/dbraw/zinc/52/28/23/367522823.db2.gz QTXZVEXEJVTWFP-QWRGUYRKSA-N 1 0 248.374 2.313 10 0 BEAERO CC(C)(C)c1ccnc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382431104 367522937 /nfs/dbraw/zinc/52/29/37/367522937.db2.gz QTXZVEXEJVTWFP-MNOVXSKESA-N 1 0 248.374 2.313 10 0 BEAERO CCC1(C[NH2+][C@@H]2CCCC[C@H]2O)CCOCC1 ZINC000383076881 367592625 /nfs/dbraw/zinc/59/26/25/367592625.db2.gz HKWQVUHMXTYJNZ-CHWSQXEVSA-N 1 0 241.375 2.086 10 0 BEAERO C[C@H](N(C)C(=O)C[C@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000385411327 367826147 /nfs/dbraw/zinc/82/61/47/367826147.db2.gz UVOYIOQRWSKNQU-NWDGAFQWSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](CO)S[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000252746247 367907076 /nfs/dbraw/zinc/90/70/76/367907076.db2.gz BFKJIOJDRGYTRZ-BBBLOLIVSA-N 1 0 217.378 2.006 10 0 BEAERO CCC[C@@H]1C[C@@H]1N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386173635 367924062 /nfs/dbraw/zinc/92/40/62/367924062.db2.gz WUQZWJZLGABMMU-NDBYEHHHSA-N 1 0 210.365 2.295 10 0 BEAERO CC(C)[C@@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 ZINC000252728013 367900482 /nfs/dbraw/zinc/90/04/82/367900482.db2.gz WDAIUTDFZLACOE-NEPJUHHUSA-N 1 0 209.333 2.476 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cccc(C(F)F)c1 ZINC000386319435 367950087 /nfs/dbraw/zinc/95/00/87/367950087.db2.gz CKWDBVILTQCLOK-SSDOTTSWSA-N 1 0 228.242 2.171 10 0 BEAERO Cc1cnc(N[C@@H]2CCCC[C@@H]2C[NH3+])nc1C ZINC000386633853 368005142 /nfs/dbraw/zinc/00/51/42/368005142.db2.gz GZHPQQIYXLAWEV-VXGBXAGGSA-N 1 0 234.347 2.023 10 0 BEAERO COc1c(C[NH2+][C@@H]2CC23CCCC3)c(C)nn1C ZINC000386901907 368033099 /nfs/dbraw/zinc/03/30/99/368033099.db2.gz LYRACLPTZXSWMB-GFCCVEGCSA-N 1 0 249.358 2.159 10 0 BEAERO CC(C)(C)[C@H]1CC[N@@H+]([C@H]2CCC(=O)C2)C1 ZINC000252869122 368163065 /nfs/dbraw/zinc/16/30/65/368163065.db2.gz RTOSDJAXGVRCPS-QWRGUYRKSA-N 1 0 209.333 2.476 10 0 BEAERO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000252856787 368163527 /nfs/dbraw/zinc/16/35/27/368163527.db2.gz KZFOJQGXYGCYLM-MNOVXSKESA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H](CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC000399551590 368178017 /nfs/dbraw/zinc/17/80/17/368178017.db2.gz AAYLCTUNKANFJN-GRYCIOLGSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@H](CN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000399551602 368178901 /nfs/dbraw/zinc/17/89/01/368178901.db2.gz AAYLCTUNKANFJN-UTUOFQBUSA-N 1 0 240.391 2.254 10 0 BEAERO Fc1cccc2c1CC[C@]21[NH2+]CCS1 ZINC000215056036 368144950 /nfs/dbraw/zinc/14/49/50/368144950.db2.gz ZXOQQIFXAXTIAX-LLVKDONJSA-N 1 0 209.289 2.261 10 0 BEAERO CCCO[C@H]1C[NH2+]C[C@H](COc2ccccc2)C1 ZINC000038476226 368326369 /nfs/dbraw/zinc/32/63/69/368326369.db2.gz MMWLQSMGSKLFKO-UKRRQHHQSA-N 1 0 249.354 2.470 10 0 BEAERO CCCO[C@@H]1C[NH2+]C[C@@H](COc2ccccc2)C1 ZINC000038476225 368328060 /nfs/dbraw/zinc/32/80/60/368328060.db2.gz MMWLQSMGSKLFKO-ZFWWWQNUSA-N 1 0 249.354 2.470 10 0 BEAERO CCc1ccc2c(c1)oc(=O)c1c2CC[NH2+]C1 ZINC000039405449 368330397 /nfs/dbraw/zinc/33/03/97/368330397.db2.gz KOFWZQGRTMEPNC-UHFFFAOYSA-N 1 0 229.279 2.001 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2CCCC2=O)C[C@@H]1C ZINC000253058322 368417957 /nfs/dbraw/zinc/41/79/57/368417957.db2.gz BOVHVPUDQGHTQG-GRYCIOLGSA-N 1 0 209.333 2.334 10 0 BEAERO [NH3+]C[C@@H]1CCOc2c(Br)cccc21 ZINC000096987616 181436376 /nfs/dbraw/zinc/43/63/76/181436376.db2.gz VUSPKOMLDZIAOU-ZETCQYMHSA-N 1 0 242.116 2.274 10 0 BEAERO CC(C)c1nsc(NCC2CC[NH2+]CC2)n1 ZINC000083670199 368802027 /nfs/dbraw/zinc/80/20/27/368802027.db2.gz YHLGLPPCOZVXFA-UHFFFAOYSA-N 1 0 240.376 2.073 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1ncnc2ccccc21 ZINC000111377081 368856975 /nfs/dbraw/zinc/85/69/75/368856975.db2.gz JMYBBFJJDHEMBY-NSHDSACASA-N 1 0 244.342 2.415 10 0 BEAERO CCC(=O)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000084858676 368859642 /nfs/dbraw/zinc/85/96/42/368859642.db2.gz XKWBUFKWHQHYJI-UHFFFAOYSA-N 1 0 232.327 2.079 10 0 BEAERO CC1CCC(O)(C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000087044352 368887852 /nfs/dbraw/zinc/88/78/52/368887852.db2.gz YNYOVJVKEPYHMQ-UHFFFAOYSA-N 1 0 249.354 2.423 10 0 BEAERO CCC[N@@H+]1CC[C@@H](c2ccc(N)cc2)C1 ZINC000088259807 368908791 /nfs/dbraw/zinc/90/87/91/368908791.db2.gz DZLGRGFGVDDRKB-GFCCVEGCSA-N 1 0 204.317 2.468 10 0 BEAERO CCC[C@H](C(=O)NCC1(CCC)CC1)[NH+](C)C ZINC000154605928 326153021 /nfs/dbraw/zinc/15/30/21/326153021.db2.gz DFEPSKYRWDLDCQ-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO CC(C)C[C@@H]1CCN(C(=O)C(C)(C)C)C[C@H]1[NH3+] ZINC000616570596 369092488 /nfs/dbraw/zinc/09/24/88/369092488.db2.gz NNYGKBWMTIZRCW-NWDGAFQWSA-N 1 0 240.391 2.254 10 0 BEAERO c1ccc2c(c1)cncc2[C@H]1COCCC[NH2+]1 ZINC000616599971 369101186 /nfs/dbraw/zinc/10/11/86/369101186.db2.gz UINNQZWMMQKPMQ-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO [NH3+]C[C@@]1(Cc2ccc(Cl)s2)CCOC1 ZINC000054637588 181441382 /nfs/dbraw/zinc/44/13/82/181441382.db2.gz GDOMTKCHRFGBCU-JTQLQIEISA-N 1 0 231.748 2.309 10 0 BEAERO [NH3+]C[C@H]1CCN(c2cccc3c2CCCC3)C1 ZINC000019474759 181464677 /nfs/dbraw/zinc/46/46/77/181464677.db2.gz YGLZLUFZKBWUFZ-GFCCVEGCSA-N 1 0 230.355 2.350 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncccc2Cl)C1 ZINC000335577436 181465982 /nfs/dbraw/zinc/46/59/82/181465982.db2.gz DZBZONIJBVVJOI-DTWKUNHWSA-N 1 0 225.723 2.274 10 0 BEAERO [NH3+]C[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000054587063 181467778 /nfs/dbraw/zinc/46/77/78/181467778.db2.gz RSIPALQPPYBMGX-APPZFPTMSA-N 1 0 213.227 2.350 10 0 BEAERO [NH3+]C[C@H]1CCCN1c1cccc(Cl)c1 ZINC000033893013 181460998 /nfs/dbraw/zinc/46/09/98/181460998.db2.gz VXCGHCCRFNHJRX-LLVKDONJSA-N 1 0 210.708 2.268 10 0 BEAERO [NH3+]Cc1ccncc1Oc1ccc(F)cc1 ZINC000162460982 259537601 /nfs/dbraw/zinc/53/76/01/259537601.db2.gz SMPLOHYOYBWWRI-UHFFFAOYSA-N 1 0 218.231 2.472 10 0 BEAERO CC[C@](C)(O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459753093 203356379 /nfs/dbraw/zinc/35/63/79/203356379.db2.gz JYLHBFZNTKCLRK-LBPRGKRZSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@@H](NC[C@H](C1CC1)[NH+](C)C)c1cncs1 ZINC000166240472 203386942 /nfs/dbraw/zinc/38/69/42/203386942.db2.gz QGVPQRAZSVNXIF-MWLCHTKSSA-N 1 0 239.388 2.134 10 0 BEAERO [NH3+]Cc1nc2c(s1)c(F)ccc2F ZINC000031894637 181501049 /nfs/dbraw/zinc/50/10/49/181501049.db2.gz UDKOCAYDFXWVHB-UHFFFAOYSA-N 1 0 200.213 2.033 10 0 BEAERO c1sc(C2CC2)nc1C[NH2+]C[C@@H]1CCCO1 ZINC000113312825 370400477 /nfs/dbraw/zinc/40/04/77/370400477.db2.gz RBHWDRJKTYBCBZ-NSHDSACASA-N 1 0 238.356 2.289 10 0 BEAERO [NH3+]Cc1ncc(OC2CC2)cc1C(F)(F)F ZINC000095719710 181502713 /nfs/dbraw/zinc/50/27/13/181502713.db2.gz XJHYUMOQGGYLQS-UHFFFAOYSA-N 1 0 232.205 2.100 10 0 BEAERO C[C@H]1CN[C@@H](c2nccs2)SC1 ZINC000161612240 370604920 /nfs/dbraw/zinc/60/49/20/370604920.db2.gz GUOUUISSVXVLRR-POYBYMJQSA-N 1 0 200.332 2.114 10 0 BEAERO [NH3+][C@@H](CCC(=O)Nc1cnoc1)c1ccccc1 ZINC000071401496 181541275 /nfs/dbraw/zinc/54/12/75/181541275.db2.gz YGLZRIGHUMCPHB-LBPRGKRZSA-N 1 0 245.282 2.093 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000389961602 371183757 /nfs/dbraw/zinc/18/37/57/371183757.db2.gz WAZLYDKAASZLKO-JQWIXIFHSA-N 1 0 207.321 2.468 10 0 BEAERO [NH3+][C@@H](Cc1ccccn1)c1ccccc1F ZINC000020429131 181558997 /nfs/dbraw/zinc/55/89/97/181558997.db2.gz MGYXVXSZAHLGDM-ZDUSSCGKSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@@H](c1ccc2c(c1)COC2)[C@@H]1CCCCO1 ZINC000062331963 181564444 /nfs/dbraw/zinc/56/44/44/181564444.db2.gz OOJGBUXDCQKFDM-KBPBESRZSA-N 1 0 233.311 2.286 10 0 BEAERO [NH3+][C@@H]1CCCc2c1cnn2Cc1ccc(F)cc1 ZINC000082826464 181585810 /nfs/dbraw/zinc/58/58/10/181585810.db2.gz REAHCMNVRIRZDY-CYBMUJFWSA-N 1 0 245.301 2.407 10 0 BEAERO Cc1cnn(CC[NH2+]Cc2ccc(C)cc2F)c1 ZINC000631064658 371249176 /nfs/dbraw/zinc/24/91/76/371249176.db2.gz MNAHFRACVLBOFV-UHFFFAOYSA-N 1 0 247.317 2.429 10 0 BEAERO N[C@H](C[NH2+]C(C1CC1)C1CC1)Cc1ccccc1 ZINC000049237859 181617760 /nfs/dbraw/zinc/61/77/60/181617760.db2.gz QAGQNUHUFCHVEU-HNNXBMFYSA-N 1 0 244.382 2.335 10 0 BEAERO [NH3+][C@@H](Cc1ncc[nH]1)Cc1cccc(Cl)c1 ZINC000052944464 181626261 /nfs/dbraw/zinc/62/62/61/181626261.db2.gz LAVHABLIRKITCX-LLVKDONJSA-N 1 0 235.718 2.176 10 0 BEAERO [NH3+][C@@H](c1ccc(F)c(Cl)c1)c1cncnc1 ZINC000062792091 181635287 /nfs/dbraw/zinc/63/52/87/181635287.db2.gz LWUOBLOAMVGOBQ-NSHDSACASA-N 1 0 237.665 2.317 10 0 BEAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000055086863 181647671 /nfs/dbraw/zinc/64/76/71/181647671.db2.gz XZINLITVQCBAGZ-RYUDHWBXSA-N 1 0 238.375 2.343 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1ccc(F)c(Br)c1 ZINC000037381350 181658825 /nfs/dbraw/zinc/65/88/25/181658825.db2.gz YCPMAXAYNKVODH-MUWHJKNJSA-N 1 0 230.080 2.403 10 0 BEAERO Nc1c(Cl)cc(F)cc1[C@@H]1CCC[NH2+]1 ZINC000072202080 181666661 /nfs/dbraw/zinc/66/66/61/181666661.db2.gz CYSDXXTYCNBGSG-VIFPVBQESA-N 1 0 214.671 2.486 10 0 BEAERO Nc1cccc(NCC[NH+]2CCCCC2)c1 ZINC000049574745 181745670 /nfs/dbraw/zinc/74/56/70/181745670.db2.gz ANROSIBLUNZKJO-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)c(F)c1 ZINC000631080578 371496757 /nfs/dbraw/zinc/49/67/57/371496757.db2.gz ZTWFSPPRTPCFAY-TZMCWYRMSA-N 1 0 237.318 2.385 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])[C@H]1CO[C@@H](C)C1 ZINC000162019799 371601611 /nfs/dbraw/zinc/60/16/11/371601611.db2.gz PQSZCVPNSNYYMV-IVZWLZJFSA-N 1 0 211.330 2.481 10 0 BEAERO [NH3+]Cc1ccc(OC(F)F)cc1Cl ZINC000226051174 371604590 /nfs/dbraw/zinc/60/45/90/371604590.db2.gz HWGLSWRATPFDEJ-UHFFFAOYSA-N 1 0 207.607 2.400 10 0 BEAERO [NH3+][C@H]1CC[C@H](C(=O)c2cccc(F)c2)C1 ZINC000226602943 371704437 /nfs/dbraw/zinc/70/44/37/371704437.db2.gz KSRUUGJLLYHMPI-ONGXEEELSA-N 1 0 207.248 2.136 10 0 BEAERO Cc1ccc(F)c(C(=O)C(C)(C)C[NH3+])c1 ZINC000226788630 371744591 /nfs/dbraw/zinc/74/45/91/371744591.db2.gz SOIMNYCPMYHRCS-UHFFFAOYSA-N 1 0 209.264 2.302 10 0 BEAERO Cc1cc([C@H](O)[C@@H](C)C[NH3+])ccc1Cl ZINC000132217815 371767995 /nfs/dbraw/zinc/76/79/95/371767995.db2.gz UFZLLETUMTXLLX-GZMMTYOYSA-N 1 0 213.708 2.277 10 0 BEAERO C[C@H]1SCC[N@H+](CC(=O)C(C)(C)C)[C@H]1C ZINC000132579958 371864317 /nfs/dbraw/zinc/86/43/17/371864317.db2.gz LFIWGJYQUSBQSK-VHSXEESVSA-N 1 0 229.389 2.427 10 0 BEAERO C[NH2+][C@@H](c1ccoc1)c1scnc1C ZINC000162847962 371866595 /nfs/dbraw/zinc/86/65/95/371866595.db2.gz YJFPFKUCEXKUJF-VIFPVBQESA-N 1 0 208.286 2.353 10 0 BEAERO Cc1cc(C(N)=[NH2+])cc(C)c1Br ZINC000162883185 371874645 /nfs/dbraw/zinc/87/46/45/371874645.db2.gz PAHRLHDTLDLICU-UHFFFAOYSA-N 1 0 227.105 2.350 10 0 BEAERO CC(C)[C@@]1(C[NH3+])CCCN1C(=O)OC(C)(C)C ZINC000217340989 371939674 /nfs/dbraw/zinc/93/96/74/371939674.db2.gz JJEBZSQGWNITOM-ZDUSSCGKSA-N 1 0 242.363 2.371 10 0 BEAERO C[NH2+][C@H](c1ccsc1C)[C@H]1CCCO1 ZINC000227792273 371939965 /nfs/dbraw/zinc/93/99/65/371939965.db2.gz FAJQFURLYQRIIA-GHMZBOCLSA-N 1 0 211.330 2.496 10 0 BEAERO CCC[C@@H]1[NH2+]CC[C@H](C)[S@@](=O)[C@@H]1CC ZINC000227578071 371896871 /nfs/dbraw/zinc/89/68/71/371896871.db2.gz VLLGXMHTKGLYGG-KZWBYHQPSA-N 1 0 217.378 2.064 10 0 BEAERO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000627727948 371917729 /nfs/dbraw/zinc/91/77/29/371917729.db2.gz WSFOLERYKYPYNH-NWDGAFQWSA-N 1 0 248.370 2.424 10 0 BEAERO C[C@H](C[NH2+]C1CCC1)NC(=O)OC(C)(C)C ZINC000227680114 371920343 /nfs/dbraw/zinc/92/03/43/371920343.db2.gz VDHYAKMKSFYILS-SECBINFHSA-N 1 0 228.336 2.042 10 0 BEAERO CC1CCC([C@@H]([NH3+])c2cnns2)CC1 ZINC000163423058 371992838 /nfs/dbraw/zinc/99/28/38/371992838.db2.gz AZHYQVZIKFDCNT-SFVIPPHHSA-N 1 0 211.334 2.364 10 0 BEAERO CC[C@@H]1SCCS[C@@H]1[C@@H]([NH3+])C1CC1 ZINC000228143457 371996580 /nfs/dbraw/zinc/99/65/80/371996580.db2.gz HXYQWHBNRUQDNQ-GUBZILKMSA-N 1 0 217.403 2.351 10 0 BEAERO Cc1sccc1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000227881006 371955652 /nfs/dbraw/zinc/95/56/52/371955652.db2.gz HDLTZMJJDHXQIJ-VHSXEESVSA-N 1 0 209.314 2.367 10 0 BEAERO Cc1cc(Br)ccc1[C@H](O)[C@@H](C)[NH3+] ZINC000217449544 371955767 /nfs/dbraw/zinc/95/57/67/371955767.db2.gz FYBSQOLOEILTQL-GMSGAONNSA-N 1 0 244.132 2.138 10 0 BEAERO CC[C@@H]1C[C@]1([NH3+])c1ccc(Br)cn1 ZINC000133350169 372028104 /nfs/dbraw/zinc/02/81/04/372028104.db2.gz YJKWBIDIDHFNNE-GMSGAONNSA-N 1 0 241.132 2.428 10 0 BEAERO C[C@H]1C[C@]1([NH3+])c1ncccc1Br ZINC000133346396 372028391 /nfs/dbraw/zinc/02/83/91/372028391.db2.gz DBOVGACUNPMBNY-IMTBSYHQSA-N 1 0 227.105 2.038 10 0 BEAERO CC(C)NC(=[NH2+])c1ncccc1Br ZINC000133376091 372034467 /nfs/dbraw/zinc/03/44/67/372034467.db2.gz OSKCPEBPBOJWBA-UHFFFAOYSA-N 1 0 242.120 2.167 10 0 BEAERO Cc1nc(NC(C)C)c(Cl)cc1C[NH3+] ZINC000306562636 372037204 /nfs/dbraw/zinc/03/72/04/372037204.db2.gz OKRLYQAFGFTDCX-UHFFFAOYSA-N 1 0 213.712 2.322 10 0 BEAERO C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2cnsn2)C1 ZINC000163534146 372009513 /nfs/dbraw/zinc/00/95/13/372009513.db2.gz UGMGHRWZFLFDBR-MRTMQBJTSA-N 1 0 211.334 2.364 10 0 BEAERO [NH3+]C[C@H](O)c1cc(F)c(Cl)cc1Cl ZINC000133844316 372122652 /nfs/dbraw/zinc/12/26/52/372122652.db2.gz FMNBIOSAEXOTRS-QMMMGPOBSA-N 1 0 224.062 2.125 10 0 BEAERO C[C@](F)(c1ccsn1)[C@H]1CCC[NH2+]1 ZINC000306965508 372081967 /nfs/dbraw/zinc/08/19/67/372081967.db2.gz KDDFOPQQALQSEG-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO [NH3+][C@H]1CCCc2c(F)cc(F)c(F)c21 ZINC000228799171 372082038 /nfs/dbraw/zinc/08/20/38/372082038.db2.gz GNVFRCYZIXJOPX-QMMMGPOBSA-N 1 0 201.191 2.440 10 0 BEAERO C[C@H]([NH3+])C[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000218377528 372100582 /nfs/dbraw/zinc/10/05/82/372100582.db2.gz DPMQFMFRISKJTM-AXFHLTTASA-N 1 0 215.362 2.026 10 0 BEAERO CCSCC[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000133936383 372136165 /nfs/dbraw/zinc/13/61/65/372136165.db2.gz WVCHGSLGOWAXLX-MNOVXSKESA-N 1 0 246.420 2.008 10 0 BEAERO CCCCN(c1nccnc1C[NH3+])[C@@H](C)CC ZINC000054377913 168823595 /nfs/dbraw/zinc/82/35/95/168823595.db2.gz NTXROHGQHSFCFP-NSHDSACASA-N 1 0 236.363 2.340 10 0 BEAERO [NH3+][C@H](c1cnsc1)[C@H]1CCCS1 ZINC000405010328 372128037 /nfs/dbraw/zinc/12/80/37/372128037.db2.gz OEYKLQBCWHFRRW-HTQZYQBOSA-N 1 0 200.332 2.039 10 0 BEAERO CC(C)([NH3+])C[C@@H](F)C(F)(F)Br ZINC000307618828 372131712 /nfs/dbraw/zinc/13/17/12/372131712.db2.gz UUVZLJDGSAUOJC-SCSAIBSYSA-N 1 0 234.059 2.440 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@@H](CN)c2ccccc2)C1 ZINC000038860722 372795012 /nfs/dbraw/zinc/79/50/12/372795012.db2.gz LHQTWACZUTUCKS-OCCSQVGLSA-N 1 0 218.344 2.418 10 0 BEAERO O=C(COCC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000095072913 181998478 /nfs/dbraw/zinc/99/84/78/181998478.db2.gz WRQWNJXFIYAQRE-NSHDSACASA-N 1 0 237.299 2.011 10 0 BEAERO O=C(Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000041279488 182035708 /nfs/dbraw/zinc/03/57/08/182035708.db2.gz LIPSTGLFZWGVCA-LLVKDONJSA-N 1 0 237.730 2.451 10 0 BEAERO O=C(Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000041279479 182040666 /nfs/dbraw/zinc/04/06/66/182040666.db2.gz PPSMITKVEYOJJF-UHFFFAOYSA-N 1 0 237.730 2.451 10 0 BEAERO CCSCCN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000175055258 205565870 /nfs/dbraw/zinc/56/58/70/205565870.db2.gz NTDYPXFNVFJKAA-CHWSQXEVSA-N 1 0 242.432 2.298 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000040672765 373591349 /nfs/dbraw/zinc/59/13/49/373591349.db2.gz KDWDIQOJRKSLJC-CQSZACIVSA-N 1 0 248.370 2.187 10 0 BEAERO NC(=[NH2+])Sc1ccccc1Br ZINC000069763792 373730752 /nfs/dbraw/zinc/73/07/52/373730752.db2.gz VSXIIWPWHDGGRJ-UHFFFAOYSA-N 1 0 231.118 2.435 10 0 BEAERO C[C@@H](C1CCCC1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000069805185 373813779 /nfs/dbraw/zinc/81/37/79/373813779.db2.gz SCUOXWHJRIMWCV-QWRGUYRKSA-N 1 0 209.333 2.476 10 0 BEAERO Brc1ccoc1[C@@H]1CCC[NH2+]1 ZINC000069841605 373852751 /nfs/dbraw/zinc/85/27/51/373852751.db2.gz XDBKBDKJPCIRDJ-ZETCQYMHSA-N 1 0 216.078 2.467 10 0 BEAERO Cc1c(C=O)c2ccccc2n1CC[NH+](C)C ZINC000040956352 373970867 /nfs/dbraw/zinc/97/08/67/373970867.db2.gz LWQNRJVHJCJDGL-UHFFFAOYSA-N 1 0 230.311 2.324 10 0 BEAERO O=C(c1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000041215710 374121374 /nfs/dbraw/zinc/12/13/74/374121374.db2.gz SKGYSRXERQEBQB-VIFPVBQESA-N 1 0 207.248 2.008 10 0 BEAERO C[C@@H](CC(N)=S)[N@@H+]1CCCCC[C@@H]1C ZINC000069944913 374090270 /nfs/dbraw/zinc/09/02/70/374090270.db2.gz JVXSQGNGZBHOHZ-UWVGGRQHSA-N 1 0 214.378 2.316 10 0 BEAERO CCC[C@@H](C(=O)NCC(C)(C)CC)[NH+](C)C ZINC000192226943 205948343 /nfs/dbraw/zinc/94/83/43/205948343.db2.gz WWNVMSMKMDGHAA-NSHDSACASA-N 1 0 228.380 2.269 10 0 BEAERO C[C@@H]([NH3+])c1csc([C@H]2CCCOC2)n1 ZINC000070842478 374202765 /nfs/dbraw/zinc/20/27/65/374202765.db2.gz CXEWNTJOWDLQKO-SFYZADRCSA-N 1 0 212.318 2.057 10 0 BEAERO CC[C@@](C)(C[NH3+])Nc1ncccc1Cl ZINC000070894651 374225781 /nfs/dbraw/zinc/22/57/81/374225781.db2.gz AEVUTOGTTDKWRS-JTQLQIEISA-N 1 0 213.712 2.274 10 0 BEAERO Cc1ccc(Cl)c(NC(=O)C[NH3+])c1Cl ZINC000042205380 374252648 /nfs/dbraw/zinc/25/26/48/374252648.db2.gz VXCMBBAAHYLRLS-UHFFFAOYSA-N 1 0 233.098 2.199 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(=O)CC1 ZINC000042863742 374295357 /nfs/dbraw/zinc/29/53/57/374295357.db2.gz LHZRHDMATNZBID-VXGBXAGGSA-N 1 0 209.333 2.478 10 0 BEAERO CCN1C[C@H]([NH2+]CCCC(C)C)[C@@H](C)C1 ZINC000309040223 170036046 /nfs/dbraw/zinc/03/60/46/170036046.db2.gz KRHCOTPRDBZNCR-STQMWFEESA-N 1 0 212.381 2.352 10 0 BEAERO O=C(Nc1cccc(Cl)c1F)[C@@H]1CC[NH2+]C1 ZINC000062112619 182369958 /nfs/dbraw/zinc/36/99/58/182369958.db2.gz HGJUVCGHUSOZEL-SSDOTTSWSA-N 1 0 242.681 2.027 10 0 BEAERO CCOC(=O)C[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000073655833 170234239 /nfs/dbraw/zinc/23/42/39/170234239.db2.gz JUDXOJUKZVXYSC-QWRGUYRKSA-N 1 0 213.321 2.060 10 0 BEAERO CC1(C)C[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224729662 259578818 /nfs/dbraw/zinc/57/88/18/259578818.db2.gz ICTSTSZCNKMTSM-YFKTTZPYSA-N 1 0 223.360 2.436 10 0 BEAERO OC1CCC([NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000309572813 183027320 /nfs/dbraw/zinc/02/73/20/183027320.db2.gz NNSZCHMOVFQAMB-IKWCTNDRSA-N 1 0 229.339 2.408 10 0 BEAERO OC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCC1 ZINC000336725340 183020666 /nfs/dbraw/zinc/02/06/66/183020666.db2.gz GHAQROSEVFEFPA-MNOVXSKESA-N 1 0 215.312 2.019 10 0 BEAERO OCCC1(C[NH2+]C[C@H]2CC=CCC2)CCC1 ZINC000125053700 183042620 /nfs/dbraw/zinc/04/26/20/183042620.db2.gz BOXRAMABUDYUGJ-ZDUSSCGKSA-N 1 0 223.360 2.485 10 0 BEAERO OCCC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000336688298 183042981 /nfs/dbraw/zinc/04/29/81/183042981.db2.gz VBIGTLQIXCQKTO-NEPJUHHUSA-N 1 0 229.339 2.267 10 0 BEAERO OCC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCC1 ZINC000309635590 183036699 /nfs/dbraw/zinc/03/66/99/183036699.db2.gz MIMPHPRSBFSZER-NEPJUHHUSA-N 1 0 229.339 2.267 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCC1CCOCC1 ZINC000336656014 183064050 /nfs/dbraw/zinc/06/40/50/183064050.db2.gz KSTUPLXYCRJGQN-CQSZACIVSA-N 1 0 241.375 2.040 10 0 BEAERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000309706980 168993444 /nfs/dbraw/zinc/99/34/44/168993444.db2.gz OZAUDILUXQAGBK-SDDRHHMPSA-N 1 0 226.364 2.069 10 0 BEAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000301000455 183094044 /nfs/dbraw/zinc/09/40/44/183094044.db2.gz VSJPFXHTOFMJOS-WDEREUQCSA-N 1 0 233.302 2.126 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037619928 169007280 /nfs/dbraw/zinc/00/72/80/169007280.db2.gz VWGMEEKQYMVASP-QWRGUYRKSA-N 1 0 238.331 2.283 10 0 BEAERO CCCC[C@H]([NH3+])CN1CCC[C@H](OCCC)C1 ZINC000042425522 169008498 /nfs/dbraw/zinc/00/84/98/169008498.db2.gz UWWQBCMDQSYEBR-KBPBESRZSA-N 1 0 242.407 2.395 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000128040224 183099251 /nfs/dbraw/zinc/09/92/51/183099251.db2.gz UDBFNSBFGACULS-SNVBAGLBSA-N 1 0 241.281 2.169 10 0 BEAERO OC[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000063001973 183109453 /nfs/dbraw/zinc/10/94/53/183109453.db2.gz JOFLEIBODMZXIG-KFWWJZLASA-N 1 0 249.354 2.003 10 0 BEAERO OC[C@@]1([NH2+]C2CCCCCC2)CCSC1 ZINC000038122328 183134302 /nfs/dbraw/zinc/13/43/02/183134302.db2.gz JXDBDNRDTAZBAF-LBPRGKRZSA-N 1 0 229.389 2.167 10 0 BEAERO OC[C@@]1([NH2+]C2CCCC2)CCc2ccccc21 ZINC000038122757 183134354 /nfs/dbraw/zinc/13/43/54/183134354.db2.gz TYRLILBUVSVJPT-HNNXBMFYSA-N 1 0 231.339 2.353 10 0 BEAERO OC[C@@]1([NH2+]Cc2ccccc2)CCCSC1 ZINC000061590839 183134689 /nfs/dbraw/zinc/13/46/89/183134689.db2.gz NBYUTANGLAHUPJ-ZDUSSCGKSA-N 1 0 237.368 2.034 10 0 BEAERO CCCCc1ccc(-n2nncc2C[NH3+])cc1 ZINC000062220119 169019952 /nfs/dbraw/zinc/01/99/52/169019952.db2.gz KOOFLQYWRNYMPD-UHFFFAOYSA-N 1 0 230.315 2.069 10 0 BEAERO OC[C@H](C[NH2+]Cc1ccccc1)C1CCC1 ZINC000252519081 183137389 /nfs/dbraw/zinc/13/73/89/183137389.db2.gz AWOGZSFUBQHNIB-AWEZNQCLSA-N 1 0 219.328 2.185 10 0 BEAERO OC[C@H]([NH2+]C1CC1)c1cc(Cl)ccc1F ZINC000083264879 183138808 /nfs/dbraw/zinc/13/88/08/183138808.db2.gz MPWKNXPQIKLCFK-NSHDSACASA-N 1 0 229.682 2.265 10 0 BEAERO CCCCc1ccc([C@@](C)(O)C[NH2+]C)cc1 ZINC000036160677 169022918 /nfs/dbraw/zinc/02/29/18/169022918.db2.gz RTHFZEULQHWPTH-AWEZNQCLSA-N 1 0 221.344 2.456 10 0 BEAERO OC[C@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000038124260 183139849 /nfs/dbraw/zinc/13/98/49/183139849.db2.gz JVMNYYAAXSVKTJ-NSHDSACASA-N 1 0 211.692 2.125 10 0 BEAERO OC[C@H]([NH2+]C1CCCC1)c1ccccc1F ZINC000038122986 183140160 /nfs/dbraw/zinc/14/01/60/183140160.db2.gz FDPOWEGYKWUBSY-ZDUSSCGKSA-N 1 0 223.291 2.391 10 0 BEAERO OC[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000090981426 183148355 /nfs/dbraw/zinc/14/83/55/183148355.db2.gz LCDJWDVRMPBQOG-GXTWGEPZSA-N 1 0 231.339 2.031 10 0 BEAERO OC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC1(F)F ZINC000336144748 183148502 /nfs/dbraw/zinc/14/85/02/183148502.db2.gz RBULPSHFVIYHQQ-WDEREUQCSA-N 1 0 233.302 2.269 10 0 BEAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000152321588 183148596 /nfs/dbraw/zinc/14/85/96/183148596.db2.gz SUTDWCOKDDCGAX-NEPJUHHUSA-N 1 0 225.357 2.389 10 0 BEAERO OC[C@]1([NH2+]C2CCCC2)CCOc2ccccc21 ZINC000038122634 183159393 /nfs/dbraw/zinc/15/93/93/183159393.db2.gz APVOKIGZABYWQK-OAHLLOKOSA-N 1 0 247.338 2.189 10 0 BEAERO OCc1cc(Cl)ccc1[C@@H]1CCC[NH2+]1 ZINC000072202017 183161842 /nfs/dbraw/zinc/16/18/42/183161842.db2.gz ZGVHYHLIYWKTSA-NSHDSACASA-N 1 0 211.692 2.257 10 0 BEAERO CCCN(C(=O)Oc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000037540239 169043326 /nfs/dbraw/zinc/04/33/26/169043326.db2.gz WYGZOVHNTIQJGR-GFCCVEGCSA-N 1 0 248.326 2.259 10 0 BEAERO CCCN(C(=O)[C@H]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000055146748 169046144 /nfs/dbraw/zinc/04/61/44/169046144.db2.gz SDGDSQZVVRUHGD-OLZOCXBDSA-N 1 0 240.391 2.399 10 0 BEAERO O[C@@H](C[NH2+]C1CCC1)c1c(F)cccc1F ZINC000052209988 183177825 /nfs/dbraw/zinc/17/78/25/183177825.db2.gz YMICNVZGLYOTKE-NSHDSACASA-N 1 0 227.254 2.140 10 0 BEAERO O[C@@H](Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000041282847 183183651 /nfs/dbraw/zinc/18/36/51/183183651.db2.gz DZOJJFQPZWWIGJ-ZDUSSCGKSA-N 1 0 239.746 2.243 10 0 BEAERO O[C@@H](Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]1 ZINC000041289539 183183779 /nfs/dbraw/zinc/18/37/79/183183779.db2.gz BTTKPPZCZURHKN-NEPJUHHUSA-N 1 0 243.709 2.135 10 0 BEAERO O[C@@H](c1c[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC000001852933 183184604 /nfs/dbraw/zinc/18/46/04/183184604.db2.gz SMNYYJOJHZYPGO-CQSZACIVSA-N 1 0 230.311 2.201 10 0 BEAERO O[C@@H](c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000036162546 183184625 /nfs/dbraw/zinc/18/46/25/183184625.db2.gz AOQYWLFUWSYACY-SNVBAGLBSA-N 1 0 231.748 2.435 10 0 BEAERO O[C@@H](c1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000083264035 183184795 /nfs/dbraw/zinc/18/47/95/183184795.db2.gz QVQGKRURARYRDQ-QWRGUYRKSA-N 1 0 229.682 2.265 10 0 BEAERO CCCN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106912338 169057197 /nfs/dbraw/zinc/05/71/97/169057197.db2.gz XIBAYNVWEZNLEJ-CQSZACIVSA-N 1 0 248.370 2.028 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000037741854 183196091 /nfs/dbraw/zinc/19/60/91/183196091.db2.gz MORWKOKQBWFACQ-QWHCGFSZSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000037164425 183196974 /nfs/dbraw/zinc/19/69/74/183196974.db2.gz GYAUEKKKNLKMJG-QWHCGFSZSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000336711884 183203727 /nfs/dbraw/zinc/20/37/27/183203727.db2.gz SLAGFQDECPHPIJ-LOWDOPEQSA-N 1 0 229.339 2.265 10 0 BEAERO O[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000307599552 183205171 /nfs/dbraw/zinc/20/51/71/183205171.db2.gz RAYWFAKNLIGEHK-DTWKUNHWSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000307025058 183205195 /nfs/dbraw/zinc/20/51/95/183205195.db2.gz BNFFXJJBOOQYQR-JGVFFNPUSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@@H](c1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000041292041 183186154 /nfs/dbraw/zinc/18/61/54/183186154.db2.gz PBBJMOPBMAWFGO-MNOVXSKESA-N 1 0 245.244 2.491 10 0 BEAERO O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000041292059 183186215 /nfs/dbraw/zinc/18/62/15/183186215.db2.gz GEFSUTRYNXBZOB-QWRGUYRKSA-N 1 0 245.244 2.491 10 0 BEAERO O[C@@H](c1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000041218390 183186218 /nfs/dbraw/zinc/18/62/18/183186218.db2.gz PTPFYOFEDJEFPG-NEPJUHHUSA-N 1 0 209.264 2.001 10 0 BEAERO O[C@@H](c1ccnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001599839 183186595 /nfs/dbraw/zinc/18/65/95/183186595.db2.gz BPVZGZYCAMIBMO-CABCVRRESA-N 1 0 242.322 2.410 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000309556494 183188147 /nfs/dbraw/zinc/18/81/47/183188147.db2.gz HVLHYALCNILYPQ-JHJVBQTASA-N 1 0 223.360 2.460 10 0 BEAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCc1ccco1 ZINC000038059338 183188190 /nfs/dbraw/zinc/18/81/90/183188190.db2.gz YBLDYYVSHGEOAS-CHWSQXEVSA-N 1 0 223.316 2.105 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000049181113 183189175 /nfs/dbraw/zinc/18/91/75/183189175.db2.gz UALWAQNNDKYEQM-NWDGAFQWSA-N 1 0 225.357 2.184 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000037741278 183189359 /nfs/dbraw/zinc/18/93/59/183189359.db2.gz OAUPAONWMJGLFO-QWHCGFSZSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000051996194 183189708 /nfs/dbraw/zinc/18/97/08/183189708.db2.gz WJIGUVDAMRCUKG-QWHCGFSZSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000037691365 183189848 /nfs/dbraw/zinc/18/98/48/183189848.db2.gz PBICIJKIWIAPQY-QWHCGFSZSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000037490600 183190184 /nfs/dbraw/zinc/19/01/84/183190184.db2.gz JPAIYTGSQOJXTB-ZIAGYGMSSA-N 1 0 219.328 2.122 10 0 BEAERO O[C@@H]1CCCC[C@H]1[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368693893 183190615 /nfs/dbraw/zinc/19/06/15/183190615.db2.gz VPVLHNSBPXZRAV-FDYHWXHSSA-N 1 0 209.333 2.164 10 0 BEAERO O[C@@H]1CCC[NH2+][C@H]1c1ccccc1Cl ZINC000082372977 183193204 /nfs/dbraw/zinc/19/32/04/183193204.db2.gz ALSKCVLWZUYSNV-MNOVXSKESA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000230702682 183195169 /nfs/dbraw/zinc/19/51/69/183195169.db2.gz FFVYBJFRCZXZLN-TZMCWYRMSA-N 1 0 244.338 2.419 10 0 BEAERO O[C@H](CC[NH+]1CCCCC1)c1ccco1 ZINC000026510468 183219581 /nfs/dbraw/zinc/21/95/81/183219581.db2.gz HNBCCCKACHQLRJ-LLVKDONJSA-N 1 0 209.289 2.189 10 0 BEAERO O[C@H]1CCCCC[C@@H]1[NH2+]CC1CCCC1 ZINC000037886814 183231088 /nfs/dbraw/zinc/23/10/88/183231088.db2.gz RNCOOCJHOBQTEL-STQMWFEESA-N 1 0 211.349 2.460 10 0 BEAERO O[C@H](C[NH2+]C1CCC1)c1ccccc1F ZINC000052209858 183222810 /nfs/dbraw/zinc/22/28/10/183222810.db2.gz YBASPLCAHIYRSA-GFCCVEGCSA-N 1 0 209.264 2.001 10 0 BEAERO O[C@H](C[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000032012597 183222890 /nfs/dbraw/zinc/22/28/90/183222890.db2.gz WNNDAOKHNCFOLI-LLVKDONJSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H](C[NH2+]C1CC1)c1c(F)cccc1Cl ZINC000032015825 183223029 /nfs/dbraw/zinc/22/30/29/183223029.db2.gz KYPZXOBWRODWDE-SNVBAGLBSA-N 1 0 229.682 2.265 10 0 BEAERO O[C@H](Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000041282860 183227046 /nfs/dbraw/zinc/22/70/46/183227046.db2.gz ABIFDCFCWFLQHB-WCQYABFASA-N 1 0 239.746 2.243 10 0 BEAERO CCCN(C)[C@@H](C[NH3+])c1cccc(OCC)c1 ZINC000020226204 169086838 /nfs/dbraw/zinc/08/68/38/169086838.db2.gz SGGNGKILTHKGFC-AWEZNQCLSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@H](c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000032012628 183228541 /nfs/dbraw/zinc/22/85/41/183228541.db2.gz LVFIHQWHTRBXQD-WDEREUQCSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H](c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000034273282 183228783 /nfs/dbraw/zinc/22/87/83/183228783.db2.gz DBZBXEVTIAXPOA-VXGBXAGGSA-N 1 0 209.264 2.001 10 0 BEAERO O[C@H](c1cccc2cccnc21)[C@H]1CCCC[NH2+]1 ZINC000001729564 183229592 /nfs/dbraw/zinc/22/95/92/183229592.db2.gz VZTOROZDQAOUBJ-UKRRQHHQSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@H](c1ccc2c(c1)CCC2)C1CC[NH2+]CC1 ZINC000036162452 183229652 /nfs/dbraw/zinc/22/96/52/183229652.db2.gz HGDVPNZMBQUFTE-HNNXBMFYSA-N 1 0 231.339 2.208 10 0 BEAERO O[C@H](c1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000041218392 183229710 /nfs/dbraw/zinc/22/97/10/183229710.db2.gz PTPFYOFEDJEFPG-VXGBXAGGSA-N 1 0 209.264 2.001 10 0 BEAERO CCC[N@H+](C)[C@H]1CNc2ccccc2C1 ZINC000037761104 169088877 /nfs/dbraw/zinc/08/88/77/169088877.db2.gz WDVYYPRCIJIMPD-GFCCVEGCSA-N 1 0 204.317 2.365 10 0 BEAERO O[C@H](c1ccnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001599842 183230509 /nfs/dbraw/zinc/23/05/09/183230509.db2.gz BPVZGZYCAMIBMO-LSDHHAIUSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@H]1CCC2=C(C[C@@H]([NH+]3CCCC3)C2)C1 ZINC000169343105 183230693 /nfs/dbraw/zinc/23/06/93/183230693.db2.gz XCENWEGOKMTCKG-STQMWFEESA-N 1 0 207.317 2.086 10 0 BEAERO O[C@H]1CCCCC[C@H]1[NH2+]CCc1ccco1 ZINC000038059336 183231777 /nfs/dbraw/zinc/23/17/77/183231777.db2.gz YBLDYYVSHGEOAS-OLZOCXBDSA-N 1 0 223.316 2.105 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000335621055 183238477 /nfs/dbraw/zinc/23/84/77/183238477.db2.gz OVVVLWVRFZJVPB-JQWIXIFHSA-N 1 0 209.333 2.070 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000084225573 183238479 /nfs/dbraw/zinc/23/84/79/183238479.db2.gz ISPLSDRJOMCMHL-KGLIPLIRSA-N 1 0 242.322 2.238 10 0 BEAERO O[C@H]1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000041225896 183241085 /nfs/dbraw/zinc/24/10/85/183241085.db2.gz JIKYCLGMRKFQKM-WDEREUQCSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000041225894 183241245 /nfs/dbraw/zinc/24/12/45/183241245.db2.gz JIKYCLGMRKFQKM-QWRGUYRKSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCC1 ZINC000044118089 183250710 /nfs/dbraw/zinc/25/07/10/183250710.db2.gz XCDLIDGAXCYDRT-ZFWWWQNUSA-N 1 0 247.338 2.357 10 0 BEAERO O[C@]1(C2CC2)CC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336265400 183250747 /nfs/dbraw/zinc/25/07/47/183250747.db2.gz QNBCFNHSLDZGCJ-VXGBXAGGSA-N 1 0 245.313 2.269 10 0 BEAERO Oc1c(Br)cccc1[C@H]1CC[NH2+]C1 ZINC000096877773 183252466 /nfs/dbraw/zinc/25/24/66/183252466.db2.gz YJHHORVVKPTXMJ-ZETCQYMHSA-N 1 0 242.116 2.232 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(C2CC2)CC1 ZINC000368336718 183232327 /nfs/dbraw/zinc/23/23/27/183232327.db2.gz PWFHACONTIYIOK-KGLIPLIRSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCC2(CCC2)C1 ZINC000305693704 183232425 /nfs/dbraw/zinc/23/24/25/183232425.db2.gz SOGJJHFVTAKOPL-NEPJUHHUSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CCCCC1 ZINC000035304930 183232477 /nfs/dbraw/zinc/23/24/77/183232477.db2.gz CZMVVZCWPODVTB-AAEUAGOBSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000335620174 183232596 /nfs/dbraw/zinc/23/25/96/183232596.db2.gz GZIYWDXEUKABFK-AAEUAGOBSA-N 1 0 223.360 2.460 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000051991021 183233374 /nfs/dbraw/zinc/23/33/74/183233374.db2.gz ARIAYECEEDYYHG-MNOVXSKESA-N 1 0 211.330 2.141 10 0 BEAERO O[C@H]1CCCC[C@H]1Nc1ccnc2ccncc21 ZINC000267244559 183233724 /nfs/dbraw/zinc/23/37/24/183233724.db2.gz SMKKDJIEXFNQSP-KGLIPLIRSA-N 1 0 243.310 2.345 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000104238340 183235501 /nfs/dbraw/zinc/23/55/01/183235501.db2.gz UVBRAHASPKQPHQ-MNOVXSKESA-N 1 0 241.281 2.358 10 0 BEAERO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000125655217 183236361 /nfs/dbraw/zinc/23/63/61/183236361.db2.gz SZUAFLVEZHZUAG-MFKMUULPSA-N 1 0 241.281 2.215 10 0 BEAERO Oc1ccc(C[NH2+]C2CC2)cc1Br ZINC000057901587 183269053 /nfs/dbraw/zinc/26/90/53/183269053.db2.gz VNLDLLJZKXTXHQ-UHFFFAOYSA-N 1 0 242.116 2.407 10 0 BEAERO Oc1ccc(CC[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)cc1 ZINC000103743109 183269205 /nfs/dbraw/zinc/26/92/05/183269205.db2.gz GZEPBFGFDHDXSG-AEGPPILISA-N 1 0 229.323 2.489 10 0 BEAERO Oc1ccc(C[NH2+]C2CCOCC2)cc1Cl ZINC000043477659 183270969 /nfs/dbraw/zinc/27/09/69/183270969.db2.gz BQZLHRFYRZXIJI-UHFFFAOYSA-N 1 0 241.718 2.314 10 0 BEAERO CCCN(CC)c1nc2ccccn2c1C[NH2+]C ZINC000035449202 169133256 /nfs/dbraw/zinc/13/32/56/169133256.db2.gz NDKDBAUYWNIREG-UHFFFAOYSA-N 1 0 246.358 2.290 10 0 BEAERO Oc1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000108257462 183277749 /nfs/dbraw/zinc/27/77/49/183277749.db2.gz XOYQYCDKGORDBS-UHFFFAOYSA-N 1 0 216.284 2.341 10 0 BEAERO Oc1ccc2c(c1)CC[NH2+][C@@H]2c1cccnc1 ZINC000035086930 183280166 /nfs/dbraw/zinc/28/01/66/183280166.db2.gz ZOFDCRNANURLMT-CQSZACIVSA-N 1 0 226.279 2.022 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000019432142 169142584 /nfs/dbraw/zinc/14/25/84/169142584.db2.gz HBHXGDJOWYECMX-NEPJUHHUSA-N 1 0 226.364 2.166 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000019486244 169143822 /nfs/dbraw/zinc/14/38/22/169143822.db2.gz NTRXTCBZSQCVDA-NWDGAFQWSA-N 1 0 226.364 2.023 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055124806 169144537 /nfs/dbraw/zinc/14/45/37/169144537.db2.gz KLXYBAVLFRGXFG-FRRDWIJNSA-N 1 0 240.391 2.399 10 0 BEAERO CCC[NH+](CCC)CCC(=O)NC(C)C ZINC000125068180 169147832 /nfs/dbraw/zinc/14/78/32/169147832.db2.gz WZSNIFMCXLLPRQ-UHFFFAOYSA-N 1 0 214.353 2.023 10 0 BEAERO CCC[N@H+](C[C@H](O)c1ccc(N)cc1)C1CC1 ZINC000051324025 169172870 /nfs/dbraw/zinc/17/28/70/169172870.db2.gz YQAYFOPFPLRZAQ-AWEZNQCLSA-N 1 0 234.343 2.177 10 0 BEAERO CCCN(Cc1cccc(C)c1)C(=O)CC[NH3+] ZINC000033465236 169175326 /nfs/dbraw/zinc/17/53/26/169175326.db2.gz UMYWAVNKYAPQNP-UHFFFAOYSA-N 1 0 234.343 2.082 10 0 BEAERO CCCN(CCC[NH3+])C(=O)NC1CCCCC1 ZINC000034960239 169155656 /nfs/dbraw/zinc/15/56/56/169155656.db2.gz WEYRJNGGISNWGQ-UHFFFAOYSA-N 1 0 241.379 2.090 10 0 BEAERO CCCN(CC[NH3+])c1ccc(C(F)(F)F)cn1 ZINC000104306832 169157291 /nfs/dbraw/zinc/15/72/91/169157291.db2.gz BZDXISKDIMWYFS-UHFFFAOYSA-N 1 0 247.264 2.276 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]CCCF ZINC000296590608 183295148 /nfs/dbraw/zinc/29/51/48/183295148.db2.gz FLMAKZFSOXTHTQ-LLVKDONJSA-N 1 0 209.264 2.329 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCO1 ZINC000036852174 183295245 /nfs/dbraw/zinc/29/52/45/183295245.db2.gz HOMOBSPFRSPMOS-MFKMUULPSA-N 1 0 233.311 2.148 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1O ZINC000250218202 183295429 /nfs/dbraw/zinc/29/54/29/183295429.db2.gz QIELQZXJBSIDOD-GZBFAFLISA-N 1 0 247.338 2.273 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]C1CCC(O)CC1 ZINC000036852045 183295673 /nfs/dbraw/zinc/29/56/73/183295673.db2.gz SOUJDYOIFVTJMY-QIMFLAQGSA-N 1 0 247.338 2.273 10 0 BEAERO CCC[N@H+](CCO)Cc1ccc2ccccc2n1 ZINC000049857013 169166397 /nfs/dbraw/zinc/16/63/97/169166397.db2.gz IBJWYIPXCMNKFL-UHFFFAOYSA-N 1 0 244.338 2.439 10 0 BEAERO CCC[N@H+](CCOC)[C@@]1(CN)CCC[C@H](C)C1 ZINC000050089463 169168768 /nfs/dbraw/zinc/16/87/68/169168768.db2.gz YFNHXLCZTGKLSL-KBPBESRZSA-N 1 0 242.407 2.252 10 0 BEAERO CCC[N@@H+](Cc1cccc(OC)c1)C[C@H](C)O ZINC000036100245 169177658 /nfs/dbraw/zinc/17/76/58/169177658.db2.gz QKTVWZMOEHGZQE-LBPRGKRZSA-N 1 0 237.343 2.288 10 0 BEAERO CCCN([C@@H](C)c1ccncc1)[C@H]1CC[NH2+]C1 ZINC000071314493 169181746 /nfs/dbraw/zinc/18/17/46/169181746.db2.gz GMQSIJGDYBOQSB-JSGCOSHPSA-N 1 0 233.359 2.217 10 0 BEAERO c1c2c(cc3c1CC[NH2+][C@@H]3C1CC1)OCO2 ZINC000011599140 183321112 /nfs/dbraw/zinc/32/11/12/183321112.db2.gz KYSIMBADOZUDMU-CYBMUJFWSA-N 1 0 217.268 2.012 10 0 BEAERO CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000104058232 169191914 /nfs/dbraw/zinc/19/19/14/169191914.db2.gz YBXGCQRAXPQDGG-UHFFFAOYSA-N 1 0 244.342 2.319 10 0 BEAERO c1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cs1 ZINC000063084641 183330455 /nfs/dbraw/zinc/33/04/55/183330455.db2.gz OPXUZDAZQDPXTQ-SECBINFHSA-N 1 0 249.339 2.340 10 0 BEAERO c1cc(-c2nnc(CCC[NH2+]C3CC3)o2)cs1 ZINC000050617581 183332340 /nfs/dbraw/zinc/33/23/40/183332340.db2.gz GLBKAPVMHCMWDT-UHFFFAOYSA-N 1 0 249.339 2.483 10 0 BEAERO CCC[NH+]1CCN(CCC(=O)C(C)(C)C)CC1 ZINC000054026281 169202934 /nfs/dbraw/zinc/20/29/34/169202934.db2.gz VLZWUIFLZIFBBB-UHFFFAOYSA-N 1 0 240.391 2.019 10 0 BEAERO CCC[N@@H+]1CC[C@H](CC(=O)OC)C[C@@H]1C ZINC000073655989 169207276 /nfs/dbraw/zinc/20/72/76/169207276.db2.gz NXCIAWKRAIRJEC-QWRGUYRKSA-N 1 0 213.321 2.060 10 0 BEAERO CCCNC(=[NH2+])N1CCCc2ccccc2C1 ZINC000062946141 169211528 /nfs/dbraw/zinc/21/15/28/169211528.db2.gz QADJKGUOGAPWNT-UHFFFAOYSA-N 1 0 231.343 2.369 10 0 BEAERO c1cc(CSC[C@H]2CCC[NH2+]C2)ccn1 ZINC000095092759 183355553 /nfs/dbraw/zinc/35/55/53/183355553.db2.gz YZEWOPJBDBNISI-LBPRGKRZSA-N 1 0 222.357 2.314 10 0 BEAERO c1cc2ccncc2c(NC2CC[NH2+]CC2)c1 ZINC000082792349 183357445 /nfs/dbraw/zinc/35/74/45/183357445.db2.gz YIKXSZMUNPULIF-UHFFFAOYSA-N 1 0 227.311 2.399 10 0 BEAERO c1cc2cnccc2c(N[C@H]2CCC[NH2+]C2)c1 ZINC000043325982 183358484 /nfs/dbraw/zinc/35/84/84/183358484.db2.gz ALCJHEHAIODSCG-LBPRGKRZSA-N 1 0 227.311 2.399 10 0 BEAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC ZINC000054601420 169255244 /nfs/dbraw/zinc/25/52/44/169255244.db2.gz FIFZHOJBNYSPOV-YHWZYXNKSA-N 1 0 210.365 2.391 10 0 BEAERO CCC[NH2+]C1CCN([C@H](C)[C@@H]2CCCO2)CC1 ZINC000035735964 169255389 /nfs/dbraw/zinc/25/53/89/169255389.db2.gz GPQKCPPKVJHLAN-OCCSQVGLSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[NH2+]CC(=O)c1ccc(OC)c(F)c1 ZINC000049819998 169255757 /nfs/dbraw/zinc/25/57/57/169255757.db2.gz URUWICYNXANUGC-UHFFFAOYSA-N 1 0 225.263 2.017 10 0 BEAERO c1cc2c(cc1CC1CC[NH2+]CC1)OCCCO2 ZINC000036171656 183366154 /nfs/dbraw/zinc/36/61/54/183366154.db2.gz GFQQOUBOUQBAEJ-UHFFFAOYSA-N 1 0 247.338 2.390 10 0 BEAERO CCC[NH2+]CCN1CCc2ccccc21 ZINC000044380357 169258694 /nfs/dbraw/zinc/25/86/94/169258694.db2.gz JWVPZWBFEUYISJ-UHFFFAOYSA-N 1 0 204.317 2.049 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1cc(C)ccc1C ZINC000049814010 169263025 /nfs/dbraw/zinc/26/30/25/169263025.db2.gz MRMKTNMOWOSAFN-CYBMUJFWSA-N 1 0 207.317 2.336 10 0 BEAERO CCC[NH2+]CC[C@@H](O)c1cc(F)ccc1F ZINC000049821369 169260246 /nfs/dbraw/zinc/26/02/46/169260246.db2.gz ODRGUSFROPPPMD-GFCCVEGCSA-N 1 0 229.270 2.388 10 0 BEAERO CCC[NH2+]CCOc1nnc(C)c2ccccc21 ZINC000051869254 169260366 /nfs/dbraw/zinc/26/03/66/169260366.db2.gz XIGXSPNXROLUCO-UHFFFAOYSA-N 1 0 245.326 2.317 10 0 BEAERO c1cc(C[C@H]2CC3CC[NH+]2CC3)cc2c1OCO2 ZINC000000213423 183369659 /nfs/dbraw/zinc/36/96/59/183369659.db2.gz UJGYSUWZJIHQPA-CYBMUJFWSA-N 1 0 245.322 2.442 10 0 BEAERO CCC[NH2+]CC[C@H](C)N1CCO[C@H]2CCC[C@@H]21 ZINC000052540398 169261324 /nfs/dbraw/zinc/26/13/24/169261324.db2.gz YUJIHIUYJSWRJJ-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc(CC)cc1 ZINC000032011793 169262347 /nfs/dbraw/zinc/26/23/47/169262347.db2.gz MMMNXJTVDZBFFW-CYBMUJFWSA-N 1 0 207.317 2.282 10 0 BEAERO c1cc(OCC[NH2+]C2CC2)cc2c1CCC2 ZINC000020524973 183370953 /nfs/dbraw/zinc/37/09/53/183370953.db2.gz BXAUVCNHKYPENM-UHFFFAOYSA-N 1 0 217.312 2.306 10 0 BEAERO CCCNC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000020256720 169240151 /nfs/dbraw/zinc/24/01/51/169240151.db2.gz BZIDVMQUZGSZTP-VIFPVBQESA-N 1 0 221.304 2.238 10 0 BEAERO CCC[NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1CC ZINC000036948948 169262599 /nfs/dbraw/zinc/26/25/99/169262599.db2.gz KSDDUNYKTRCMMO-BFHYXJOUSA-N 1 0 243.391 2.332 10 0 BEAERO c1cc2ncc(C3CC[NH2+]CC3)cc2[nH]1 ZINC000089221051 183377702 /nfs/dbraw/zinc/37/77/02/183377702.db2.gz VDTDWMUKIOKJSD-UHFFFAOYSA-N 1 0 201.273 2.030 10 0 BEAERO c1ccc(-c2ccnc(C[NH2+]C3CC3)n2)cc1 ZINC000071396904 183381309 /nfs/dbraw/zinc/38/13/09/183381309.db2.gz XQOUGHOYLAKWKL-UHFFFAOYSA-N 1 0 225.295 2.396 10 0 BEAERO c1cn(C[C@H]2CCC[NH2+]2)c(-c2ccccc2)n1 ZINC000043496151 183383744 /nfs/dbraw/zinc/38/37/44/183383744.db2.gz MCOXMVIQCPBDFD-CYBMUJFWSA-N 1 0 227.311 2.302 10 0 BEAERO CCC[NH2+][C@H](C)Cn1ccc(=O)c2ccccc21 ZINC000044038343 169285915 /nfs/dbraw/zinc/28/59/15/169285915.db2.gz DUNWKHCVXODKNS-GFCCVEGCSA-N 1 0 244.338 2.390 10 0 BEAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1CCOCC ZINC000111712154 169286838 /nfs/dbraw/zinc/28/68/38/169286838.db2.gz IUXINOUYLROXQS-ZIAGYGMSSA-N 1 0 242.407 2.266 10 0 BEAERO CCCN[C@H](C[NH3+])c1ccccc1OC(F)F ZINC000050270583 169288821 /nfs/dbraw/zinc/28/88/21/169288821.db2.gz VPTDXHZZYWWFQT-SNVBAGLBSA-N 1 0 244.285 2.287 10 0 BEAERO CCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000038123375 169289309 /nfs/dbraw/zinc/28/93/09/169289309.db2.gz KRRULQRQUJTSBL-LLVKDONJSA-N 1 0 213.708 2.373 10 0 BEAERO CCC[NH2+][C@H](c1ccc(C)o1)[C@H]1COCCO1 ZINC000055301199 169289960 /nfs/dbraw/zinc/28/99/60/169289960.db2.gz LFXRCIRQDGFWAU-CHWSQXEVSA-N 1 0 239.315 2.044 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc(C)cc1C ZINC000049814011 169264463 /nfs/dbraw/zinc/26/44/63/169264463.db2.gz YZVOJYVMJQCWKI-ZDUSSCGKSA-N 1 0 207.317 2.336 10 0 BEAERO CCC[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000020123131 169264473 /nfs/dbraw/zinc/26/44/73/169264473.db2.gz DBYJIFHFKOATQG-GFCCVEGCSA-N 1 0 222.332 2.416 10 0 BEAERO CCC[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000053654648 169264517 /nfs/dbraw/zinc/26/45/17/169264517.db2.gz JLGNASYKHQTYFW-OAHLLOKOSA-N 1 0 247.386 2.293 10 0 BEAERO CCC[NH2+]Cc1cc(C)ccc1OCCCO ZINC000071406188 169265626 /nfs/dbraw/zinc/26/56/26/169265626.db2.gz XEOIXWKUWXVALB-UHFFFAOYSA-N 1 0 237.343 2.256 10 0 BEAERO c1ccc(CCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000015416821 183392385 /nfs/dbraw/zinc/39/23/85/183392385.db2.gz WZZKBXAHCAZRAG-CQSZACIVSA-N 1 0 219.328 2.388 10 0 BEAERO c1ccc(CCN2CC[C@H]([NH2+]C3CCC3)C2)cc1 ZINC000052208748 183392701 /nfs/dbraw/zinc/39/27/01/183392701.db2.gz WEEYSAJFJKMKJR-INIZCTEOSA-N 1 0 244.382 2.446 10 0 BEAERO c1ccc(CC[NH2+]CC2CCOCC2)cc1 ZINC000052171867 183393187 /nfs/dbraw/zinc/39/31/87/183393187.db2.gz RUHGNKOEERHQIP-UHFFFAOYSA-N 1 0 219.328 2.245 10 0 BEAERO CCC[NH2+]Cc1ccc(N2CCCC2(C)C)nn1 ZINC000063073652 169266484 /nfs/dbraw/zinc/26/64/84/169266484.db2.gz CSJGTUPJCRYDAZ-UHFFFAOYSA-N 1 0 248.374 2.355 10 0 BEAERO CCC[NH2+]Cc1ccc(COCCOCC)o1 ZINC000052604150 169266673 /nfs/dbraw/zinc/26/66/73/169266673.db2.gz BUOUBLPORKQOLR-UHFFFAOYSA-N 1 0 241.331 2.332 10 0 BEAERO c1ccc(CC[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000044683971 183395129 /nfs/dbraw/zinc/39/51/29/183395129.db2.gz USTGAQHTSVNNHE-AWEZNQCLSA-N 1 0 230.355 2.055 10 0 BEAERO c1nnc(C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000040380407 183397232 /nfs/dbraw/zinc/39/72/32/183397232.db2.gz KKAKXQFKDCFWBM-UHFFFAOYSA-N 1 0 243.310 2.449 10 0 BEAERO c1ccc(CN2CCC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000076677778 183398289 /nfs/dbraw/zinc/39/82/89/183398289.db2.gz LKNBKHREDVCVHZ-HUUCEWRRSA-N 1 0 230.355 2.261 10 0 BEAERO c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037916503 183399920 /nfs/dbraw/zinc/39/99/20/183399920.db2.gz BSRRVURNVFKAFJ-ZFWWWQNUSA-N 1 0 245.370 2.046 10 0 BEAERO CCC[NH2+][C@H]1CCCC[C@H]1c1cnn(C)c1 ZINC000060715813 169290490 /nfs/dbraw/zinc/29/04/90/169290490.db2.gz UBTGTXUQVXRFFH-STQMWFEESA-N 1 0 221.348 2.446 10 0 BEAERO CCC[NH2+][C@@H](C)c1csc(CN(C)C)n1 ZINC000070841856 169277096 /nfs/dbraw/zinc/27/70/96/169277096.db2.gz OZBVADCKLINRGH-VIFPVBQESA-N 1 0 227.377 2.265 10 0 BEAERO CCC[NH2+][C@@H](CC)[C@H](C)c1nc(COC)no1 ZINC000104156272 169278316 /nfs/dbraw/zinc/27/83/16/169278316.db2.gz KMZJJNAEDKVRPX-UWVGGRQHSA-N 1 0 241.335 2.098 10 0 BEAERO CCC[NH2+][C@@H](CN)c1ccc(OC(F)F)cc1 ZINC000050270450 169279659 /nfs/dbraw/zinc/27/96/59/169279659.db2.gz XZJGSBSLZVUIQL-NSHDSACASA-N 1 0 244.285 2.287 10 0 BEAERO CCC[NH2+][C@@H](C[C@H]1CCCO1)c1cncnc1 ZINC000052887145 169279757 /nfs/dbraw/zinc/27/97/57/169279757.db2.gz MQWQYOYANPJBDV-OLZOCXBDSA-N 1 0 235.331 2.086 10 0 BEAERO CCC[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000037241731 169281897 /nfs/dbraw/zinc/28/18/97/169281897.db2.gz XYWRZKHWYPJLJI-GFCCVEGCSA-N 1 0 210.365 2.393 10 0 BEAERO CCC[NH2+][C@@H]1CCN(CC2CCCCC2)C1=O ZINC000049648091 169282114 /nfs/dbraw/zinc/28/21/14/169282114.db2.gz VHSJVIBJGVFTKC-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO CCC[NH2+][C@@H]1COc2ccc(CCOC)cc21 ZINC000035657671 169282798 /nfs/dbraw/zinc/28/27/98/169282798.db2.gz TWKANWSMHVLOGH-CYBMUJFWSA-N 1 0 235.327 2.309 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2ccncc2)C[C@@H]1C ZINC000049712469 169282840 /nfs/dbraw/zinc/28/28/40/169282840.db2.gz BUKSUORUEUPMFK-DZGCQCFKSA-N 1 0 247.386 2.292 10 0 BEAERO CCC[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000054932003 169282918 /nfs/dbraw/zinc/28/29/18/169282918.db2.gz MCUNTSUHDDNMIT-SECBINFHSA-N 1 0 213.227 2.398 10 0 BEAERO CCC[NH2+][C@@H]1COc2ccc(OC)cc21 ZINC000035652802 169283038 /nfs/dbraw/zinc/28/30/38/169283038.db2.gz RFNSXACMTXWQIQ-LLVKDONJSA-N 1 0 207.273 2.128 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000049647927 169283088 /nfs/dbraw/zinc/28/30/88/169283088.db2.gz FBYWWCJJRJIUEJ-CYBMUJFWSA-N 1 0 232.327 2.100 10 0 BEAERO CCCN[C@@](C)(C(=O)OC)c1ccc(C)cc1 ZINC000037513253 169283781 /nfs/dbraw/zinc/28/37/81/169283781.db2.gz BFBXIYKXVXAEHT-CQSZACIVSA-N 1 0 235.327 2.383 10 0 BEAERO CCCOC[C@@H]([NH3+])Cc1cc(C)ccc1OC ZINC000050707009 169309700 /nfs/dbraw/zinc/30/97/00/169309700.db2.gz QZTOOSWDEIYBGY-ZDUSSCGKSA-N 1 0 237.343 2.300 10 0 BEAERO CCCOC[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000037025105 169309774 /nfs/dbraw/zinc/30/97/74/169309774.db2.gz DISKRYBVYAHHHD-LBPRGKRZSA-N 1 0 239.315 2.130 10 0 BEAERO CCCO[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000042424595 169310702 /nfs/dbraw/zinc/31/07/02/169310702.db2.gz OSIDSLGOTNQZDW-CQSZACIVSA-N 1 0 240.391 2.020 10 0 BEAERO c1ccc([C@H](C[NH2+]C2CC2)O[C@H]2CCOC2)cc1 ZINC000104110650 183429697 /nfs/dbraw/zinc/42/96/97/183429697.db2.gz WRMLZDXISXIXBA-GJZGRUSLSA-N 1 0 247.338 2.285 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2cccc(C)c2)C1=O ZINC000049648856 169291665 /nfs/dbraw/zinc/29/16/65/169291665.db2.gz JXADTTMYLPGWHA-AWEZNQCLSA-N 1 0 246.354 2.096 10 0 BEAERO CCC[NH2+][C@H]1CCN([C@@H](C)C(CC)CC)C1=O ZINC000070976968 169291928 /nfs/dbraw/zinc/29/19/28/169291928.db2.gz BMPGZGQTNLVVLJ-AAEUAGOBSA-N 1 0 240.391 2.412 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2ccccc2C)C1=O ZINC000049648848 169292016 /nfs/dbraw/zinc/29/20/16/169292016.db2.gz VEUJYBMXUIDODV-AWEZNQCLSA-N 1 0 246.354 2.096 10 0 BEAERO CCC[NH2+][C@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976240 169292938 /nfs/dbraw/zinc/29/29/38/169292938.db2.gz KXBWDHBFPYXWCO-ZBEGNZNMSA-N 1 0 241.331 2.378 10 0 BEAERO CCC[NH2+][C@](C)(C(N)=O)c1cc(C)ccc1C ZINC000037513815 169293552 /nfs/dbraw/zinc/29/35/52/169293552.db2.gz QWGQPDUMYHSLCJ-AWEZNQCLSA-N 1 0 234.343 2.004 10 0 BEAERO CCCNc1cccc(Cl)c1C(N)=[NH2+] ZINC000052906302 169295135 /nfs/dbraw/zinc/29/51/35/169295135.db2.gz DITLIKMSZXROFG-UHFFFAOYSA-N 1 0 211.696 2.446 10 0 BEAERO CCCOc1ccc(C2([NH3+])CCOCC2)cc1 ZINC000063077090 169317899 /nfs/dbraw/zinc/31/78/99/169317899.db2.gz MJTVZBRPLTZVPU-UHFFFAOYSA-N 1 0 235.327 2.440 10 0 BEAERO CCCOc1ccc([C@@H](C)N(C)CC[NH3+])cc1 ZINC000054416968 169321206 /nfs/dbraw/zinc/32/12/06/169321206.db2.gz FAFQDJRGUBRLNS-GFCCVEGCSA-N 1 0 236.359 2.427 10 0 BEAERO CCCOc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C)cc1 ZINC000071547423 169321574 /nfs/dbraw/zinc/32/15/74/169321574.db2.gz XJAFDMNGPANFNY-BXUZGUMPSA-N 1 0 236.359 2.425 10 0 BEAERO CCCOc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)cc1 ZINC000071548174 169321618 /nfs/dbraw/zinc/32/16/18/169321618.db2.gz IHJQLEKYNIMJEM-ZIAGYGMSSA-N 1 0 237.343 2.492 10 0 BEAERO c1ccc2oc(NCC3CC[NH2+]CC3)nc2c1 ZINC000044509231 183461732 /nfs/dbraw/zinc/46/17/32/183461732.db2.gz AIYVKQUYNRQGJH-UHFFFAOYSA-N 1 0 231.299 2.239 10 0 BEAERO CCCOc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000036965110 169322328 /nfs/dbraw/zinc/32/23/28/169322328.db2.gz OOHDOWNBFKCUFG-CYBMUJFWSA-N 1 0 221.300 2.136 10 0 BEAERO CCCOc1ccc2c(c1)[C@@H]([NH3+])CCO2 ZINC000036928640 169322962 /nfs/dbraw/zinc/32/29/62/169322962.db2.gz NKUKACWZOFLRRH-NSHDSACASA-N 1 0 207.273 2.258 10 0 BEAERO c1ccc2c(c1)snc2N[C@H]1CCC[NH2+]C1 ZINC000095068068 183440121 /nfs/dbraw/zinc/44/01/21/183440121.db2.gz UWDBOEWWVYTFGJ-VIFPVBQESA-N 1 0 233.340 2.460 10 0 BEAERO CCCOc1cccc(C[NH2+]CCN(C)C)c1 ZINC000020967335 169325509 /nfs/dbraw/zinc/32/55/09/169325509.db2.gz ZFTPKBRAYMSUDT-UHFFFAOYSA-N 1 0 236.359 2.127 10 0 BEAERO CCCOc1ccccc1[C@](C)(O)C[NH2+]C1CC1 ZINC000032104718 169328328 /nfs/dbraw/zinc/32/83/28/169328328.db2.gz QXCAMKYAKCJNKY-OAHLLOKOSA-N 1 0 249.354 2.435 10 0 BEAERO CCC[C@@H](C)NC(=O)C1(CCC)CC[NH2+]CC1 ZINC000062847584 169367343 /nfs/dbraw/zinc/36/73/43/169367343.db2.gz HSJHQWASXOUBDJ-GFCCVEGCSA-N 1 0 240.391 2.461 10 0 BEAERO CCC[C@@H](C)C(=O)N(CCC)[C@H]1CCC[NH2+]C1 ZINC000037541538 169348644 /nfs/dbraw/zinc/34/86/44/169348644.db2.gz ZXTYCHNJESWMHT-OLZOCXBDSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@@H](C)[NH2+]Cc1cn2c(n1)CCCC2 ZINC000309617270 169370632 /nfs/dbraw/zinc/37/06/32/169370632.db2.gz CCSBUYJZXMVCEK-LLVKDONJSA-N 1 0 221.348 2.498 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@@H]1CCCN1CC ZINC000020091974 169360313 /nfs/dbraw/zinc/36/03/13/169360313.db2.gz VLHUPRHZIXLLKF-OLZOCXBDSA-N 1 0 212.381 2.497 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)CCC[NH2+]C(C)C ZINC000037655261 169361915 /nfs/dbraw/zinc/36/19/15/169361915.db2.gz MXSLNSHLGWFTDG-GFCCVEGCSA-N 1 0 228.380 2.412 10 0 BEAERO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(N)c1 ZINC000036789808 169363755 /nfs/dbraw/zinc/36/37/55/169363755.db2.gz MAWFOPHLTWDNEK-LLVKDONJSA-N 1 0 249.358 2.328 10 0 BEAERO CCC[C@@H](CC)[NH2+]CCn1cc(C)cn1 ZINC000125815067 169379378 /nfs/dbraw/zinc/37/93/78/169379378.db2.gz SQRSRCUVFQBOOO-GFCCVEGCSA-N 1 0 209.337 2.360 10 0 BEAERO CCC[C@@H](CC)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000310004482 169380441 /nfs/dbraw/zinc/38/04/41/169380441.db2.gz GBHIHTKMGBIXKU-MNOVXSKESA-N 1 0 226.364 2.212 10 0 BEAERO CCC[C@@H](CCC[NH3+])C(=O)N1CCC(C)CC1 ZINC000076622513 169382143 /nfs/dbraw/zinc/38/21/43/169382143.db2.gz DMRUBXAVFOIRGU-ZDUSSCGKSA-N 1 0 240.391 2.400 10 0 BEAERO CCC[C@@H](CCOCC)C[NH2+]CCOC ZINC000054662853 169383001 /nfs/dbraw/zinc/38/30/01/169383001.db2.gz MBVBUQWRBRZYFD-LBPRGKRZSA-N 1 0 217.353 2.065 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(-c2ccncc2)c[nH]1 ZINC000036873816 169393542 /nfs/dbraw/zinc/39/35/42/169393542.db2.gz SIYKGNRUWUVVKL-SNVBAGLBSA-N 1 0 216.288 2.272 10 0 BEAERO CCC[C@@H]([NH3+])c1cnc2c(C)cccn12 ZINC000031911676 169393943 /nfs/dbraw/zinc/39/39/43/169393943.db2.gz ZQSSIPQIUVJZCK-SNVBAGLBSA-N 1 0 203.289 2.443 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000179683407 134323776 /nfs/dbraw/zinc/32/37/76/134323776.db2.gz PIGDGCQFWJGBQG-SNVBAGLBSA-N 1 0 238.411 2.209 10 0 BEAERO C[C@H](N[C@@H]1CC[C@@H]([NH+](C)C)C1)c1nccs1 ZINC000222737190 134334159 /nfs/dbraw/zinc/33/41/59/134334159.db2.gz FHBBMGDRTXSJGC-HBNTYKKESA-N 1 0 239.388 2.276 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCOCCOC ZINC000336735333 169419443 /nfs/dbraw/zinc/41/94/43/169419443.db2.gz LRNKVXOFANYSQZ-CHWSQXEVSA-N 1 0 229.364 2.208 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1([S@](C)=O)CC1 ZINC000309439188 169418387 /nfs/dbraw/zinc/41/83/87/169418387.db2.gz IADIXYPTGFUHIK-WQGACYEGSA-N 1 0 243.416 2.456 10 0 BEAERO c1csc(C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000336553066 183515393 /nfs/dbraw/zinc/51/53/93/183515393.db2.gz YCOJTGBIXLNXIT-NSHDSACASA-N 1 0 238.356 2.111 10 0 BEAERO CC(C)(C)OC(=O)NC1([C@H]2CC[NH2+]C2)CCC1 ZINC000091690952 166659864 /nfs/dbraw/zinc/65/98/64/166659864.db2.gz OFHVHNZTMIEBHO-JTQLQIEISA-N 1 0 240.347 2.043 10 0 BEAERO CCC[C@]1(C(=O)NC2CCCCC2)CC[NH2+]C1 ZINC000062879049 169555380 /nfs/dbraw/zinc/55/53/80/169555380.db2.gz TZMJNPVXZWOGGK-AWEZNQCLSA-N 1 0 238.375 2.215 10 0 BEAERO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000183357934 134350980 /nfs/dbraw/zinc/35/09/80/134350980.db2.gz UIINTTCHSHNEAN-RWMBFGLXSA-N 1 0 240.391 2.269 10 0 BEAERO CCCc1ccc(N(C)CCC[NH3+])cc1 ZINC000107283891 169571872 /nfs/dbraw/zinc/57/18/72/169571872.db2.gz DIEAZHDVSKHYOR-UHFFFAOYSA-N 1 0 206.333 2.424 10 0 BEAERO CCCc1ccc([C@H](O)CC[NH2+]C)cc1 ZINC000049814057 169575338 /nfs/dbraw/zinc/57/53/38/169575338.db2.gz RJPCQMSYXJREMV-CYBMUJFWSA-N 1 0 207.317 2.282 10 0 BEAERO CCCc1nc(CSC)sc1C[NH3+] ZINC000082427753 169591725 /nfs/dbraw/zinc/59/17/25/169591725.db2.gz RMNNOBGQEYZVSN-UHFFFAOYSA-N 1 0 216.375 2.417 10 0 BEAERO Nc1ccc(N(C2CC2)[C@H]2CCSC2)nc1 ZINC000409434838 383839892 /nfs/dbraw/zinc/83/98/92/383839892.db2.gz QWMZRFGEGFFYLT-NSHDSACASA-N 1 0 235.356 2.138 10 0 BEAERO CO[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022370 383880503 /nfs/dbraw/zinc/88/05/03/383880503.db2.gz JYDRVHZVBOYBFQ-XVKPBYJWSA-N 1 0 244.132 2.484 10 0 BEAERO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000035136713 383834043 /nfs/dbraw/zinc/83/40/43/383834043.db2.gz UFXSKKYCWVRASO-NSHDSACASA-N 1 0 242.326 2.155 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC2)c(C)c1 ZINC000036782408 383909229 /nfs/dbraw/zinc/90/92/29/383909229.db2.gz JMSRKZBENNTHID-GFCCVEGCSA-N 1 0 246.354 2.233 10 0 BEAERO Cc1ccc(Cl)c2ccc(C(N)=[NH2+])nc12 ZINC000067173645 383916224 /nfs/dbraw/zinc/91/62/24/383916224.db2.gz OOLTWOZJINCMHQ-UHFFFAOYSA-N 1 0 219.675 2.481 10 0 BEAERO CC(C)(C)OC(=O)NCCC[C@]1(C)CCC[NH2+]1 ZINC000088613839 383918282 /nfs/dbraw/zinc/91/82/82/383918282.db2.gz GCUCPMRCMMNPFQ-CYBMUJFWSA-N 1 0 242.363 2.433 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1c(Cl)cnn1C ZINC000131925938 383898119 /nfs/dbraw/zinc/89/81/19/383898119.db2.gz JVRGLZKJDGOSMQ-SCZZXKLOSA-N 1 0 227.739 2.352 10 0 BEAERO CCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732316 383989433 /nfs/dbraw/zinc/98/94/33/383989433.db2.gz DLLWVLNEUVLLKQ-CHWSQXEVSA-N 1 0 248.374 2.224 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])[C@H](C)N(Cc2ccccc2)C1 ZINC000068593044 384002964 /nfs/dbraw/zinc/00/29/64/384002964.db2.gz MPGWATXLKGPBOP-MBNYWOFBSA-N 1 0 218.344 2.244 10 0 BEAERO CN(Cc1ccccc1)[C@@H](C[NH3+])C(F)(F)F ZINC000037169496 383952440 /nfs/dbraw/zinc/95/24/40/383952440.db2.gz NWQGMUAFARXZRD-JTQLQIEISA-N 1 0 232.249 2.008 10 0 BEAERO NNc1ccc(-c2ccccc2Cl)n[nH+]1 ZINC000050194196 383967192 /nfs/dbraw/zinc/96/71/92/383967192.db2.gz MNMQYJIWTRXCHA-UHFFFAOYSA-N 1 0 220.663 2.083 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](C)N1Cc1ccccc1 ZINC000068593068 384001521 /nfs/dbraw/zinc/00/15/21/384001521.db2.gz ULXWOSFIBHNQLH-DYEKYZERSA-N 1 0 218.344 2.387 10 0 BEAERO C[C@H]([NH3+])Cc1cc(OCc2ccccc2)no1 ZINC000090397975 384044992 /nfs/dbraw/zinc/04/49/92/384044992.db2.gz PQIKPYXNTXARJG-JTQLQIEISA-N 1 0 232.283 2.143 10 0 BEAERO C[NH2+][C@H]1COc2c1cccc2Br ZINC000035654540 384088471 /nfs/dbraw/zinc/08/84/71/384088471.db2.gz RHWYXOAEEILBPQ-QMMMGPOBSA-N 1 0 228.089 2.102 10 0 BEAERO C[NH2+][C@@H]1COc2c1cc(C)cc2Br ZINC000035653838 384088636 /nfs/dbraw/zinc/08/86/36/384088636.db2.gz NZVLETDDXHNJKP-SECBINFHSA-N 1 0 242.116 2.410 10 0 BEAERO Cc1ccc(C(=O)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000036157492 384070897 /nfs/dbraw/zinc/07/08/97/384070897.db2.gz HWXHPRMVUHKLSG-LBPRGKRZSA-N 1 0 203.285 2.238 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1nncs1 ZINC000035724575 384097689 /nfs/dbraw/zinc/09/76/89/384097689.db2.gz MAMFWZXVMKJOOA-YUMQZZPRSA-N 1 0 229.374 2.148 10 0 BEAERO C[NH2+][C@H](C)CNc1nccc2ccccc21 ZINC000304248305 384099355 /nfs/dbraw/zinc/09/93/55/384099355.db2.gz GKIOPBPPOFCVJJ-SNVBAGLBSA-N 1 0 215.300 2.255 10 0 BEAERO [NH3+][C@@H]1C[C@@H](c2cccs2)Cc2n[nH]cc21 ZINC000072415355 384104047 /nfs/dbraw/zinc/10/40/47/384104047.db2.gz NRXCZTPMPAMYIH-VXNVDRBHSA-N 1 0 219.313 2.201 10 0 BEAERO [NH3+][C@H]1C[C@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000072415360 384104506 /nfs/dbraw/zinc/10/45/06/384104506.db2.gz YXDFUYXDGFMFOH-CABZTGNLSA-N 1 0 231.274 2.279 10 0 BEAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@H](c1ccco1)C2 ZINC000072415385 384104578 /nfs/dbraw/zinc/10/45/78/384104578.db2.gz YUFCHQPSQKHWGW-IUCAKERBSA-N 1 0 217.272 2.041 10 0 BEAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@H](c1ccccc1O)C2 ZINC000072415407 384104788 /nfs/dbraw/zinc/10/47/88/384104788.db2.gz YYVLOIDHCYNDKC-GXSJLCMTSA-N 1 0 243.310 2.154 10 0 BEAERO Cc1cccc([C@H]2Cc3c(cnn3C)[C@@H]([NH3+])C2)c1 ZINC000072415863 384107885 /nfs/dbraw/zinc/10/78/85/384107885.db2.gz YZYAJNXRNXDIMZ-OCCSQVGLSA-N 1 0 241.338 2.458 10 0 BEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1(C)C ZINC000310300759 384120917 /nfs/dbraw/zinc/12/09/17/384120917.db2.gz OFFDWQYRJIPYEI-IJLUTSLNSA-N 1 0 243.391 2.187 10 0 BEAERO CCCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116320751 384128918 /nfs/dbraw/zinc/12/89/18/384128918.db2.gz AYHKWWKDZCUGGE-LLVKDONJSA-N 1 0 207.321 2.010 10 0 BEAERO c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)nc1 ZINC000041047112 384176703 /nfs/dbraw/zinc/17/67/03/384176703.db2.gz YEHWTDHVFHJIQE-LOWVWBTDSA-N 1 0 202.301 2.360 10 0 BEAERO Cc1ccc(CNCc2nccn2C)s1 ZINC000050225546 384168079 /nfs/dbraw/zinc/16/80/79/384168079.db2.gz VKMMIPQPVFSSLL-UHFFFAOYSA-N 1 0 221.329 2.080 10 0 BEAERO CC[C@]1(C)CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000335976926 384179212 /nfs/dbraw/zinc/17/92/12/384179212.db2.gz XHTLBUGBFUDFSF-KGLIPLIRSA-N 1 0 238.375 2.167 10 0 BEAERO C(C1CCC1)[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000173541160 384236041 /nfs/dbraw/zinc/23/60/41/384236041.db2.gz LZMISTWZBJSQOV-STQMWFEESA-N 1 0 209.333 2.430 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccccc1 ZINC000282340739 384237181 /nfs/dbraw/zinc/23/71/81/384237181.db2.gz MCVWISZUMKGHSP-UBHSHLNASA-N 1 0 246.354 2.394 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1 ZINC000282340737 384237715 /nfs/dbraw/zinc/23/77/15/384237715.db2.gz MCVWISZUMKGHSP-KWCYVHTRSA-N 1 0 246.354 2.394 10 0 BEAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000093438404 384239112 /nfs/dbraw/zinc/23/91/12/384239112.db2.gz USKZYFNRGGEOAK-AWEZNQCLSA-N 1 0 247.342 2.283 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccnn1C ZINC000278822555 384223198 /nfs/dbraw/zinc/22/31/98/384223198.db2.gz SNXPXHDBJZAWSI-GMTAPVOTSA-N 1 0 207.321 2.259 10 0 BEAERO CC[C@](C)(C[NH2+][C@H](CC(C)C)CN(C)C)OC ZINC000319621199 384268622 /nfs/dbraw/zinc/26/86/22/384268622.db2.gz LLABFKPGRHKHPF-ZIAGYGMSSA-N 1 0 244.423 2.367 10 0 BEAERO CCC[C@@H](C(=O)NC[C@H](C)C(C)C)[NH+](C)C ZINC000179404227 384285980 /nfs/dbraw/zinc/28/59/80/384285980.db2.gz TZFGYNXHOZMLCW-RYUDHWBXSA-N 1 0 228.380 2.125 10 0 BEAERO Cc1cnn(CC[NH2+]CC2(C(C)C)CC2)c1 ZINC000304413509 384287444 /nfs/dbraw/zinc/28/74/44/384287444.db2.gz PYOVKYQUUMBVGF-UHFFFAOYSA-N 1 0 221.348 2.217 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000134174489 384336933 /nfs/dbraw/zinc/33/69/33/384336933.db2.gz YHBGLBVLSJZXJN-DCAQKATOSA-N 1 0 225.307 2.493 10 0 BEAERO Clc1nccc(SC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070183 384337143 /nfs/dbraw/zinc/33/71/43/384337143.db2.gz ADHUVJQZPCOHDZ-MRVPVSSYSA-N 1 0 243.763 2.222 10 0 BEAERO Clc1nccc(SC[C@H]2CCC[NH2+]C2)n1 ZINC000095070184 384337282 /nfs/dbraw/zinc/33/72/82/384337282.db2.gz ADHUVJQZPCOHDZ-QMMMGPOBSA-N 1 0 243.763 2.222 10 0 BEAERO C[C@H](CCCC[NH3+])Nc1ncncc1Cl ZINC000336692022 384337553 /nfs/dbraw/zinc/33/75/53/384337553.db2.gz MXAMLMCNQQOJMA-MRVPVSSYSA-N 1 0 228.727 2.059 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000134174700 384337951 /nfs/dbraw/zinc/33/79/51/384337951.db2.gz YHBGLBVLSJZXJN-VWYCJHECSA-N 1 0 225.307 2.493 10 0 BEAERO CN(C[C@@H]1CCC[NH2+]1)c1nsc2ccccc21 ZINC000095070990 384338332 /nfs/dbraw/zinc/33/83/32/384338332.db2.gz KWSZLOOKAWEHQN-JTQLQIEISA-N 1 0 247.367 2.485 10 0 BEAERO CN(C[C@@H]1CCC[NH2+]1)c1nc2ccccc2o1 ZINC000095070982 384339620 /nfs/dbraw/zinc/33/96/20/384339620.db2.gz HYDXSMPKTJLDPR-JTQLQIEISA-N 1 0 231.299 2.016 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000335579857 384342889 /nfs/dbraw/zinc/34/28/89/384342889.db2.gz JLDGYTNVSDENBA-DGCLKSJQSA-N 1 0 241.338 2.196 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CO1 ZINC000401961356 384343942 /nfs/dbraw/zinc/34/39/42/384343942.db2.gz WUALGIJVVNNWQF-YUELXQCFSA-N 1 0 248.370 2.056 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@H](CN(C)C)c2ccccc2)CO1 ZINC000401961355 384344243 /nfs/dbraw/zinc/34/42/43/384344243.db2.gz WUALGIJVVNNWQF-VHDGCEQUSA-N 1 0 248.370 2.056 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000335583390 384347080 /nfs/dbraw/zinc/34/70/80/384347080.db2.gz XCYRGRLRQMPTPA-WCBMZHEXSA-N 1 0 225.723 2.274 10 0 BEAERO FC(F)(F)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000095076967 384353026 /nfs/dbraw/zinc/35/30/26/384353026.db2.gz DJASPQRBHLADQV-LLVKDONJSA-N 1 0 244.260 2.370 10 0 BEAERO FC(F)(F)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095076953 384353415 /nfs/dbraw/zinc/35/34/15/384353415.db2.gz AKBIYCYPMJGIDW-LLVKDONJSA-N 1 0 244.260 2.370 10 0 BEAERO c1ncc(COCC[C@H]2CCC[NH2+]C2)s1 ZINC000095092493 384360691 /nfs/dbraw/zinc/36/06/91/384360691.db2.gz XZFKSDDFBZADFX-SNVBAGLBSA-N 1 0 226.345 2.049 10 0 BEAERO c1ncc(CSC2CC[NH2+]CC2)s1 ZINC000095092735 384363375 /nfs/dbraw/zinc/36/33/75/384363375.db2.gz PBSZRPMJKQTVEB-UHFFFAOYSA-N 1 0 214.359 2.128 10 0 BEAERO O=C1NCC[N@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000120133999 384331673 /nfs/dbraw/zinc/33/16/73/384331673.db2.gz PYAFIASIUOIBHB-AWEZNQCLSA-N 1 0 244.338 2.102 10 0 BEAERO Cc1ccc(SC2CC[NH2+]CC2)nc1 ZINC000095069149 384331812 /nfs/dbraw/zinc/33/18/12/384331812.db2.gz GDRONNRJNBMGGA-UHFFFAOYSA-N 1 0 208.330 2.234 10 0 BEAERO [NH3+]CC[C@@H](O)c1ccc2ccccc2c1 ZINC000044471046 384332712 /nfs/dbraw/zinc/33/27/12/384332712.db2.gz YRMZKEAWQNBUOA-CYBMUJFWSA-N 1 0 201.269 2.222 10 0 BEAERO Clc1ccc(SC[C@@H]2CCCC[NH2+]2)nn1 ZINC000095069981 384333687 /nfs/dbraw/zinc/33/36/87/384333687.db2.gz LVTMKOHDIYUEPL-QMMMGPOBSA-N 1 0 243.763 2.364 10 0 BEAERO COc1cc(CC[NH3+])cc(C(F)(F)F)c1 ZINC000095764876 384394907 /nfs/dbraw/zinc/39/49/07/384394907.db2.gz XNKRUIVLDZZPGE-UHFFFAOYSA-N 1 0 219.206 2.215 10 0 BEAERO CN(CC[NH3+])[C@H]1CCCc2sccc21 ZINC000061330068 384395579 /nfs/dbraw/zinc/39/55/79/384395579.db2.gz RQRQPLSBXJINQF-JTQLQIEISA-N 1 0 210.346 2.016 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)C1CCCCC1 ZINC000084446623 384397124 /nfs/dbraw/zinc/39/71/24/384397124.db2.gz SJLFFOWKIJDBJT-ZBOXLXRLSA-N 1 0 211.349 2.316 10 0 BEAERO CCc1ccc(C[NH2+]CC2CC(O)C2)s1 ZINC000084447431 384398041 /nfs/dbraw/zinc/39/80/41/384398041.db2.gz YIXWXSQYYWMQOT-UHFFFAOYSA-N 1 0 225.357 2.171 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC2CC(O)C2)s1 ZINC000084447871 384398137 /nfs/dbraw/zinc/39/81/37/384398137.db2.gz GTJPYYLNUGLMKV-WHXUTIOJSA-N 1 0 225.357 2.478 10 0 BEAERO CCSCC[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000160160207 384390678 /nfs/dbraw/zinc/39/06/78/384390678.db2.gz NGIIZKFMMMDWEN-JTQLQIEISA-N 1 0 241.404 2.350 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000181123079 384449515 /nfs/dbraw/zinc/44/95/15/384449515.db2.gz GWSPMQCRTHVQOC-CMPLNLGQSA-N 1 0 237.347 2.431 10 0 BEAERO [NH3+]Cc1ccnc(OCc2ccc(F)cc2)c1 ZINC000204268575 384455821 /nfs/dbraw/zinc/45/58/21/384455821.db2.gz QCPVNNWRQVJIDN-UHFFFAOYSA-N 1 0 232.258 2.258 10 0 BEAERO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000122118302 384456285 /nfs/dbraw/zinc/45/62/85/384456285.db2.gz XXHPHVYFYKGZCC-SDDRHHMPSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000135311121 384434934 /nfs/dbraw/zinc/43/49/34/384434934.db2.gz GFYXLULFPXGNAZ-MISXGVKJSA-N 1 0 247.338 2.450 10 0 BEAERO C[C@@H]([NH3+])c1csc(-c2ccncc2)n1 ZINC000011568396 384463061 /nfs/dbraw/zinc/46/30/61/384463061.db2.gz BWMRZSQVGCYFOI-SSDOTTSWSA-N 1 0 205.286 2.225 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H](C)Cn1ccnc1 ZINC000037156839 384485058 /nfs/dbraw/zinc/48/50/58/384485058.db2.gz LMELOVQSELIKJT-RYUDHWBXSA-N 1 0 209.337 2.297 10 0 BEAERO [NH3+]C[C@@H](c1ccsc1)n1cc(Cl)cn1 ZINC000043124205 384495182 /nfs/dbraw/zinc/49/51/82/384495182.db2.gz UFCXMGGZANZBKU-VIFPVBQESA-N 1 0 227.720 2.146 10 0 BEAERO Cc1[nH+]c2c(n1C[C@@H](O)C(C)(C)C)CCCC2 ZINC000216922536 384529898 /nfs/dbraw/zinc/52/98/98/384529898.db2.gz RORBJGQDMXTCFB-CYBMUJFWSA-N 1 0 236.359 2.477 10 0 BEAERO C[C@@H]([NH3+])c1ccc(-n2cccn2)c(F)c1 ZINC000019872808 384548705 /nfs/dbraw/zinc/54/87/05/384548705.db2.gz MJZHEFWTFQBKHO-MRVPVSSYSA-N 1 0 205.236 2.031 10 0 BEAERO CC(C)n1c2cnccc2nc1[C@@H]1CCC[NH2+]C1 ZINC000097673559 384541666 /nfs/dbraw/zinc/54/16/66/384541666.db2.gz PUKXUZLGXHSGOX-LLVKDONJSA-N 1 0 244.342 2.479 10 0 BEAERO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2)CC[N@@H+]1C ZINC000123690210 384578768 /nfs/dbraw/zinc/57/87/68/384578768.db2.gz FBTHMODTKCNMGZ-TZMCWYRMSA-N 1 0 246.354 2.241 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000050009558 384582542 /nfs/dbraw/zinc/58/25/42/384582542.db2.gz QAXBDFINRNMSHK-OCCSQVGLSA-N 1 0 246.354 2.488 10 0 BEAERO Cc1ccc(OCCOC2CC[NH2+]CC2)cc1 ZINC000020266963 384606369 /nfs/dbraw/zinc/60/63/69/384606369.db2.gz DYDNSKOYURJUSQ-UHFFFAOYSA-N 1 0 235.327 2.142 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000084446184 384620410 /nfs/dbraw/zinc/62/04/10/384620410.db2.gz IVOMTEMKLAJWIH-MMWSSPAHSA-N 1 0 217.312 2.034 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CC1CC(O)C1 ZINC000084446017 384620539 /nfs/dbraw/zinc/62/05/39/384620539.db2.gz MTLNMLQNASSTGJ-HIFPTAJRSA-N 1 0 219.328 2.417 10 0 BEAERO Cc1ccc([C@@H]([NH3+])Cn2cccn2)c(C)c1 ZINC000011849770 384621392 /nfs/dbraw/zinc/62/13/92/384621392.db2.gz CBPONZMMUWPMFV-ZDUSSCGKSA-N 1 0 215.300 2.200 10 0 BEAERO [NH3+]CCSc1cc(-c2ccccc2)ncn1 ZINC000011849448 384621958 /nfs/dbraw/zinc/62/19/58/384621958.db2.gz CQZBZWUCLDUWCQ-UHFFFAOYSA-N 1 0 231.324 2.194 10 0 BEAERO c1ccc(Cc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000011850545 384626252 /nfs/dbraw/zinc/62/62/52/384626252.db2.gz QAHKGWOUVINVQG-UHFFFAOYSA-N 1 0 230.336 2.380 10 0 BEAERO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccn1 ZINC000100248191 384628272 /nfs/dbraw/zinc/62/82/72/384628272.db2.gz RXKDTWWGWWWTCN-SDDRHHMPSA-N 1 0 220.316 2.036 10 0 BEAERO [NH3+]CCOc1ccc(C2CCC(=O)CC2)cc1 ZINC000098095903 384594291 /nfs/dbraw/zinc/59/42/91/384594291.db2.gz WNVQYYADXFJZQH-UHFFFAOYSA-N 1 0 233.311 2.251 10 0 BEAERO CC[N@H+](CCCO)C[C@@H]1Cc2ccccc21 ZINC000124647005 384663759 /nfs/dbraw/zinc/66/37/59/384663759.db2.gz IDJLNMFLZGUKNP-ZDUSSCGKSA-N 1 0 219.328 2.031 10 0 BEAERO COC(=O)CC[C@@]1(c2ccccc2)CCC[NH2+]C1 ZINC000082311217 384666222 /nfs/dbraw/zinc/66/62/22/384666222.db2.gz MSEHWUVSPRUWRQ-HNNXBMFYSA-N 1 0 247.338 2.261 10 0 BEAERO C[NH2+][C@H](C)c1ccc(O)c(Br)c1 ZINC000061699360 384669686 /nfs/dbraw/zinc/66/96/86/384669686.db2.gz UKUJPKNPPSVNSG-ZCFIWIBFSA-N 1 0 230.105 2.435 10 0 BEAERO c1ncc(C[NH2+]C[C@@H]2CC23CCOCC3)s1 ZINC000309630763 384670029 /nfs/dbraw/zinc/67/00/29/384670029.db2.gz RDMNIGLQIOENQJ-JTQLQIEISA-N 1 0 238.356 2.049 10 0 BEAERO [NH3+]CCc1ccc2[nH]ccc2c1Br ZINC000082328826 384670204 /nfs/dbraw/zinc/67/02/04/384670204.db2.gz FTRBLJRPGZFDTE-UHFFFAOYSA-N 1 0 239.116 2.432 10 0 BEAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1ccccc1Cl ZINC000082360265 384674120 /nfs/dbraw/zinc/67/41/20/384674120.db2.gz JZNPPWDTOXUAPA-CMPLNLGQSA-N 1 0 225.719 2.246 10 0 BEAERO c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000124480502 384645289 /nfs/dbraw/zinc/64/52/89/384645289.db2.gz KIDYKOZBJSZDHM-NEPJUHHUSA-N 1 0 232.331 2.059 10 0 BEAERO C[C@H]1Oc2c(cc(F)cc2Br)[C@@H]1[NH3+] ZINC000043635014 384722890 /nfs/dbraw/zinc/72/28/90/384722890.db2.gz DSSJDNLFGWUGSY-SPGJFGJESA-N 1 0 246.079 2.369 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000043256351 384682902 /nfs/dbraw/zinc/68/29/02/384682902.db2.gz FGUGTLFENRKAAZ-XNCJUZBTSA-N 1 0 205.710 2.172 10 0 BEAERO c1ccc2c(c1)OCC[C@H]2[C@@H]1CCC[NH2+]1 ZINC000082556926 384692352 /nfs/dbraw/zinc/69/23/52/384692352.db2.gz KUXRXHCUFYNCTC-PWSUYJOCSA-N 1 0 203.285 2.305 10 0 BEAERO c1cncc(COCC[C@H]2CCCC[NH2+]2)c1 ZINC000051862245 384694636 /nfs/dbraw/zinc/69/46/36/384694636.db2.gz YEYYQLPZBUWDLR-CYBMUJFWSA-N 1 0 220.316 2.130 10 0 BEAERO CC(C)[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000076647143 384697885 /nfs/dbraw/zinc/69/78/85/384697885.db2.gz GMILKAIXHXFOEF-KBPBESRZSA-N 1 0 218.344 2.102 10 0 BEAERO [NH3+]Cc1cncc(-c2ccccc2F)c1 ZINC000082639055 384698590 /nfs/dbraw/zinc/69/85/90/384698590.db2.gz JKZOFOLTSQQEHX-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc2c(c1)OCO2 ZINC000052271190 384727348 /nfs/dbraw/zinc/72/73/48/384727348.db2.gz BUSDPICUPVRNAF-WCABBAIRSA-N 1 0 219.284 2.474 10 0 BEAERO C[C@@H]([NH2+]CC(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000021961551 384709545 /nfs/dbraw/zinc/70/95/45/384709545.db2.gz RMJGMAXAQOEQNO-SNVBAGLBSA-N 1 0 234.343 2.120 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000309670070 384712258 /nfs/dbraw/zinc/71/22/58/384712258.db2.gz JMFBCUIFHDIUMO-NWDGAFQWSA-N 1 0 221.348 2.080 10 0 BEAERO C[C@H]1Oc2c(cccc2Br)[C@H]1[NH3+] ZINC000043634673 384718006 /nfs/dbraw/zinc/71/80/06/384718006.db2.gz HLPWSUNIMSZLKN-XRGYYRRGSA-N 1 0 228.089 2.230 10 0 BEAERO Clc1ccc(-n2ncc3c2CC[NH2+]C3)cc1 ZINC000082809145 384719751 /nfs/dbraw/zinc/71/97/51/384719751.db2.gz GNWKZMGKZGSODZ-UHFFFAOYSA-N 1 0 233.702 2.171 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCC(=O)NC ZINC000310004019 384777721 /nfs/dbraw/zinc/77/77/21/384777721.db2.gz FWUXBOBLXITJQJ-NEPJUHHUSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@H]1Sc2cc(F)c(F)cc2[C@@H]1[NH3+] ZINC000043636039 384728598 /nfs/dbraw/zinc/72/85/98/384728598.db2.gz OUOGPHPRMJHWJU-ALFREKQPSA-N 1 0 201.241 2.459 10 0 BEAERO C[NH2+][C@H]1c2cccc(OC)c2S[C@@H]1C ZINC000043636210 384729195 /nfs/dbraw/zinc/72/91/95/384729195.db2.gz OLVPTFCBAMJZRN-GMSGAONNSA-N 1 0 209.314 2.450 10 0 BEAERO CC(C)=CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052554761 384735432 /nfs/dbraw/zinc/73/54/32/384735432.db2.gz UEFSEBIDSWYXBZ-CQSZACIVSA-N 1 0 246.354 2.372 10 0 BEAERO COC[C@H](C)C[NH2+]CCCOc1ccccc1 ZINC000061815783 384750287 /nfs/dbraw/zinc/75/02/87/384750287.db2.gz ZPNTWKBXNWQSQN-CYBMUJFWSA-N 1 0 237.343 2.328 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)o1 ZINC000300395777 384751273 /nfs/dbraw/zinc/75/12/73/384751273.db2.gz IPTWHNYSROLRHJ-DVVUODLYSA-N 1 0 224.304 2.201 10 0 BEAERO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000083218360 384752264 /nfs/dbraw/zinc/75/22/64/384752264.db2.gz WIOTVJOXOPQTNT-IUCAKERBSA-N 1 0 229.270 2.244 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000309973872 384756573 /nfs/dbraw/zinc/75/65/73/384756573.db2.gz RFJKBIGIQIBISR-KCJUWKMLSA-N 1 0 238.356 2.288 10 0 BEAERO CCOCc1nc(C)c([C@@H](C)[NH3+])s1 ZINC000084064982 384835178 /nfs/dbraw/zinc/83/51/78/384835178.db2.gz UKPDHAAAHCVMAB-ZCFIWIBFSA-N 1 0 200.307 2.008 10 0 BEAERO Cc1cccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000335040249 384784958 /nfs/dbraw/zinc/78/49/58/384784958.db2.gz DCXUULIHJWOMAV-VXGBXAGGSA-N 1 0 204.317 2.405 10 0 BEAERO C[N@@H+](Cc1nc(-c2ccoc2)no1)CC1CC1 ZINC000105608208 384788885 /nfs/dbraw/zinc/78/88/85/384788885.db2.gz GFNGLCPJAIKWNM-UHFFFAOYSA-N 1 0 233.271 2.171 10 0 BEAERO CC[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000126287881 384789169 /nfs/dbraw/zinc/78/91/69/384789169.db2.gz WDJIGZDGIIUYTC-UHFFFAOYSA-N 1 0 203.285 2.414 10 0 BEAERO [NH3+]CCc1ncc(-c2ccccc2)s1 ZINC000061803223 384790011 /nfs/dbraw/zinc/79/00/11/384790011.db2.gz FHADRUUNOFXPOK-UHFFFAOYSA-N 1 0 204.298 2.311 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(Cl)c(F)c1 ZINC000043388735 384790278 /nfs/dbraw/zinc/79/02/78/384790278.db2.gz XJUIOTOLHUPYKB-VHSXEESVSA-N 1 0 217.671 2.250 10 0 BEAERO C[N@H+](CC[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000053933158 384811730 /nfs/dbraw/zinc/81/17/30/384811730.db2.gz ZXZPKCQGBVABQJ-LSDHHAIUSA-N 1 0 249.354 2.221 10 0 BEAERO CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308571714 384813098 /nfs/dbraw/zinc/81/30/98/384813098.db2.gz CDULXIBPUYNTTJ-OUAUKWLOSA-N 1 0 203.301 2.139 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000087781889 384847147 /nfs/dbraw/zinc/84/71/47/384847147.db2.gz PEEZMNAPRIIWRT-WXHSDQCUSA-N 1 0 221.300 2.252 10 0 BEAERO CC[C@H](C[NH2+][C@H]1CCc2c1cccc2O)OC ZINC000310150577 384862207 /nfs/dbraw/zinc/86/22/07/384862207.db2.gz HZPNBXSNTQAZIP-MFKMUULPSA-N 1 0 235.327 2.394 10 0 BEAERO CC[C@@H](C[NH2+][C@H]1CCc2c1cccc2O)OC ZINC000310150575 384863763 /nfs/dbraw/zinc/86/37/63/384863763.db2.gz HZPNBXSNTQAZIP-GWCFXTLKSA-N 1 0 235.327 2.394 10 0 BEAERO CCSCC[C@H](C)[NH2+]Cc1nccn1C ZINC000127486435 384866033 /nfs/dbraw/zinc/86/60/33/384866033.db2.gz TYZPIHWOYDIQLM-JTQLQIEISA-N 1 0 227.377 2.041 10 0 BEAERO Cc1ccc(F)c(C[NH2+]C(C)(C)[C@H](C)O)c1 ZINC000127138457 384867839 /nfs/dbraw/zinc/86/78/39/384867839.db2.gz ABBVSZKKEVVKIP-JTQLQIEISA-N 1 0 225.307 2.383 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)o1 ZINC000164262933 384953498 /nfs/dbraw/zinc/95/34/98/384953498.db2.gz AWVHHSGEVVMOCP-DGCLKSJQSA-N 1 0 223.316 2.229 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H](F)C1 ZINC000336262880 384891551 /nfs/dbraw/zinc/89/15/51/384891551.db2.gz HLURNQCHKNYJFM-STQMWFEESA-N 1 0 228.355 2.293 10 0 BEAERO CC[C@@H]([NH2+]C[C@H](C)N(CC)CC)C1CC1 ZINC000127663692 384910193 /nfs/dbraw/zinc/91/01/93/384910193.db2.gz COGKCRGXSMALCU-WCQYABFASA-N 1 0 212.381 2.495 10 0 BEAERO O=C(c1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000259261545 384912292 /nfs/dbraw/zinc/91/22/92/384912292.db2.gz SRUZFAMXABUBHG-UHFFFAOYSA-N 1 0 230.094 2.396 10 0 BEAERO COC(=O)[C@H](CC(C)C)[NH+]1CCC2(CC2)CC1 ZINC000586768394 384914686 /nfs/dbraw/zinc/91/46/86/384914686.db2.gz BRPSVNDCGSTNHF-LBPRGKRZSA-N 1 0 239.359 2.450 10 0 BEAERO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000586768396 384915727 /nfs/dbraw/zinc/91/57/27/384915727.db2.gz DMXYYGOFEUDFQD-UWVGGRQHSA-N 1 0 249.301 2.161 10 0 BEAERO Clc1cccc([C@H]2CN(C3CC3)CC[NH2+]2)c1 ZINC000056894776 384921598 /nfs/dbraw/zinc/92/15/98/384921598.db2.gz JBRWKBSTOOVGFF-CYBMUJFWSA-N 1 0 236.746 2.449 10 0 BEAERO Clc1cccc([C@@H]2CN(C3CC3)CC[NH2+]2)c1 ZINC000056894773 384921808 /nfs/dbraw/zinc/92/18/08/384921808.db2.gz JBRWKBSTOOVGFF-ZDUSSCGKSA-N 1 0 236.746 2.449 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C12CCCC2 ZINC000107282219 384959711 /nfs/dbraw/zinc/95/97/11/384959711.db2.gz ZVTWRNPATYORKH-JTQLQIEISA-N 1 0 240.347 2.267 10 0 BEAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000127701202 384934112 /nfs/dbraw/zinc/93/41/12/384934112.db2.gz MBDOUDYFKSDQON-LBPRGKRZSA-N 1 0 205.305 2.347 10 0 BEAERO CO[C@H](C[N@@H+]1CC[C@@H](CCO)C1)c1ccccc1 ZINC000338547459 384934141 /nfs/dbraw/zinc/93/41/41/384934141.db2.gz ONHRFYFDBRZIMM-DZGCQCFKSA-N 1 0 249.354 2.078 10 0 BEAERO COCC[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000309947108 384946548 /nfs/dbraw/zinc/94/65/48/384946548.db2.gz DTPUEWKGZYRBOK-SRVKXCTJSA-N 1 0 229.364 2.205 10 0 BEAERO c1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)sn1 ZINC000404292764 384965565 /nfs/dbraw/zinc/96/55/65/384965565.db2.gz VTYGGIAZRQVRFC-JMJZKYOTSA-N 1 0 208.330 2.421 10 0 BEAERO OC1CC(C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094520287 384979929 /nfs/dbraw/zinc/97/99/29/384979929.db2.gz XMEBGZGKTZBQTJ-UHFFFAOYSA-N 1 0 231.339 2.425 10 0 BEAERO COCc1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000128031529 384981702 /nfs/dbraw/zinc/98/17/02/384981702.db2.gz RBJLENZHFMQNAK-HNNXBMFYSA-N 1 0 249.354 2.444 10 0 BEAERO CCc1ccc(C[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000128042266 384983770 /nfs/dbraw/zinc/98/37/70/384983770.db2.gz DKPFJKRTQCPFBL-LBPRGKRZSA-N 1 0 223.316 2.453 10 0 BEAERO CC[NH+](CC)Cc1cc(OC)c(OC)cc1N ZINC000058267310 384993325 /nfs/dbraw/zinc/99/33/25/384993325.db2.gz OWGAFRMLGDZBGY-UHFFFAOYSA-N 1 0 238.331 2.128 10 0 BEAERO CC(C)[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000129429073 384994351 /nfs/dbraw/zinc/99/43/51/384994351.db2.gz TZIHDDJJHHDSQR-OLZOCXBDSA-N 1 0 238.375 2.023 10 0 BEAERO COC(=O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000107822299 385001286 /nfs/dbraw/zinc/00/12/86/385001286.db2.gz DUIASICJBXFLOO-LHRNQBEKSA-N 1 0 245.322 2.195 10 0 BEAERO CCc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)nc1 ZINC000338953809 384963154 /nfs/dbraw/zinc/96/31/54/384963154.db2.gz KRBRKHHDVCOGRN-OAHLLOKOSA-N 1 0 248.370 2.381 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CC1=CCCC1 ZINC000401043497 385069756 /nfs/dbraw/zinc/06/97/56/385069756.db2.gz KUZZRQFQLOMLTO-CYBMUJFWSA-N 1 0 209.333 2.334 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CC1=CCCC1 ZINC000401043499 385070484 /nfs/dbraw/zinc/07/04/84/385070484.db2.gz KUZZRQFQLOMLTO-ZDUSSCGKSA-N 1 0 209.333 2.334 10 0 BEAERO Cc1ccc([C@H](O)C[NH2+][C@H]2CCCSC2)o1 ZINC000128291960 385023728 /nfs/dbraw/zinc/02/37/28/385023728.db2.gz CGSPABJIUUYILS-WDEREUQCSA-N 1 0 241.356 2.107 10 0 BEAERO [NH3+]C[C@H](F)Cc1ccc(Br)s1 ZINC000156353028 385031163 /nfs/dbraw/zinc/03/11/63/385031163.db2.gz SWEDYRWCGKVYCN-RXMQYKEDSA-N 1 0 238.125 2.350 10 0 BEAERO CO[C@@H]1CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000257174326 385033440 /nfs/dbraw/zinc/03/34/40/385033440.db2.gz FQKVWLGGLKQPFP-CQSZACIVSA-N 1 0 246.354 2.473 10 0 BEAERO CCCCCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377338014 385042114 /nfs/dbraw/zinc/04/21/14/385042114.db2.gz SDXISTXKCTYLON-STQMWFEESA-N 1 0 238.375 2.025 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000407979554 385111144 /nfs/dbraw/zinc/11/11/44/385111144.db2.gz PWKLLLMGZOWOCC-STQMWFEESA-N 1 0 247.338 2.331 10 0 BEAERO [NH3+]Cc1cnnn1-c1ccc(Cl)c(Cl)c1 ZINC000062219213 385092700 /nfs/dbraw/zinc/09/27/00/385092700.db2.gz QNOITTCCPVBOCC-UHFFFAOYSA-N 1 0 243.097 2.033 10 0 BEAERO CC[C@](C)(O)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000119433613 385093265 /nfs/dbraw/zinc/09/32/65/385093265.db2.gz WAPJUPNDUXWQHA-LBPRGKRZSA-N 1 0 242.388 2.437 10 0 BEAERO C[NH2+]Cc1sc([C@H]2CCCO2)nc1C ZINC000062214219 385094753 /nfs/dbraw/zinc/09/47/53/385094753.db2.gz QEMXGPLUVXOJKJ-MRVPVSSYSA-N 1 0 212.318 2.022 10 0 BEAERO CNC(=[NH2+])c1cc(Br)ccc1C ZINC000259319337 385213429 /nfs/dbraw/zinc/21/34/29/385213429.db2.gz UCVBHARNLONYKI-UHFFFAOYSA-N 1 0 227.105 2.302 10 0 BEAERO C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308860036 385223240 /nfs/dbraw/zinc/22/32/40/385223240.db2.gz RDSOYUFQOQSSCA-GRYCIOLGSA-N 1 0 217.328 2.123 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)[C@H]1C ZINC000305780622 385227075 /nfs/dbraw/zinc/22/70/75/385227075.db2.gz OGTRPERLIVLFHB-BAESOJJISA-N 1 0 231.339 2.375 10 0 BEAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccncc2)cn1 ZINC000130366922 385245032 /nfs/dbraw/zinc/24/50/32/385245032.db2.gz AVRAUGNMFTYALV-CQSZACIVSA-N 1 0 242.326 2.152 10 0 BEAERO c1ccc(CN2C[C@@H]3C[NH+](C4CC4)C[C@H]3C2)cc1 ZINC000307381771 385319112 /nfs/dbraw/zinc/31/91/12/385319112.db2.gz ZKZHQJHIHJQXOJ-HUUCEWRRSA-N 1 0 242.366 2.213 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H](CC)[C@H](O)C(F)(F)F ZINC000308969221 385321647 /nfs/dbraw/zinc/32/16/47/385321647.db2.gz YAGJBYJWUYTMFQ-CIUDSAMLSA-N 1 0 227.270 2.466 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000052273022 385271610 /nfs/dbraw/zinc/27/16/10/385271610.db2.gz MMQFQGQMIHBUQH-IUODEOHRSA-N 1 0 241.338 2.429 10 0 BEAERO c1ccc(OCC[n+]2ccccc2)cc1 ZINC000033986157 385272616 /nfs/dbraw/zinc/27/26/16/385272616.db2.gz SRDVXCQCCFBDOB-UHFFFAOYSA-N 1 0 200.261 2.053 10 0 BEAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCO)o1 ZINC000177814241 385286309 /nfs/dbraw/zinc/28/63/09/385286309.db2.gz OGSADFHINRBBGX-GFCCVEGCSA-N 1 0 223.316 2.361 10 0 BEAERO Fc1ccc(-c2n[nH]c([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000065287271 385298216 /nfs/dbraw/zinc/29/82/16/385298216.db2.gz JXBAEMLMOSUAGC-JTQLQIEISA-N 1 0 246.289 2.078 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@H]2CCSC2)C[C@@H](C)O1 ZINC000309114332 385422671 /nfs/dbraw/zinc/42/26/71/385422671.db2.gz KUCGIBQQHJACHY-FOGDFJRCSA-N 1 0 229.389 2.285 10 0 BEAERO Cc1ccncc1CCC[NH2+][C@@H]1C[C@@H]1C ZINC000309139663 385433329 /nfs/dbraw/zinc/43/33/29/385433329.db2.gz STKTVSXPIOPULS-WCQYABFASA-N 1 0 204.317 2.321 10 0 BEAERO C[C@H]1C[C@](O)(c2ccsc2)CC[N@@H+]1C ZINC000156794371 385469269 /nfs/dbraw/zinc/46/92/69/385469269.db2.gz SQMXRNSICPZYLX-ONGXEEELSA-N 1 0 211.330 2.050 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC(C(=O)OC)CC1 ZINC000336723715 385488194 /nfs/dbraw/zinc/48/81/94/385488194.db2.gz YWBITTXFTOOILP-KPFVRQRISA-N 1 0 239.359 2.496 10 0 BEAERO Cc1c(C[NH2+]CC2=CCCCC2)cnn1C ZINC000295207108 385496131 /nfs/dbraw/zinc/49/61/31/385496131.db2.gz ZOKSUDGPQLUICZ-UHFFFAOYSA-N 1 0 219.332 2.319 10 0 BEAERO CCCCCN(C(=O)[C@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000111268874 385498388 /nfs/dbraw/zinc/49/83/88/385498388.db2.gz IWQDJUWJELEPJL-OLZOCXBDSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccsc1 ZINC000180606232 385532515 /nfs/dbraw/zinc/53/25/15/385532515.db2.gz MSOAHCLTHBKMPR-GXSJLCMTSA-N 1 0 248.355 2.005 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccccc1OC(F)(F)F ZINC000036779064 385533395 /nfs/dbraw/zinc/53/33/95/385533395.db2.gz AUDYKSHDAJALTJ-WPRPVWTQSA-N 1 0 249.232 2.356 10 0 BEAERO CC(C)N(C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309335021 385533805 /nfs/dbraw/zinc/53/38/05/385533805.db2.gz IUWLNTUSETVYNW-STQMWFEESA-N 1 0 230.371 2.445 10 0 BEAERO COC(=O)CCC[N@@H+]1CCCC12CCCC2 ZINC000309385364 385559302 /nfs/dbraw/zinc/55/93/02/385559302.db2.gz SDFCYEBVTNORLU-UHFFFAOYSA-N 1 0 225.332 2.348 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000181128144 385565264 /nfs/dbraw/zinc/56/52/64/385565264.db2.gz KMWMFYZDUPVGAS-CYBMUJFWSA-N 1 0 248.374 2.096 10 0 BEAERO C[NH2+][C@H](C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000054076801 385594552 /nfs/dbraw/zinc/59/45/52/385594552.db2.gz WOBGDBJGXFWMKG-LLVKDONJSA-N 1 0 234.343 2.034 10 0 BEAERO CCC1CCC(N(C)C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054075671 385594951 /nfs/dbraw/zinc/59/49/51/385594951.db2.gz BUAROASNYIHSQY-VOMCLLRMSA-N 1 0 226.364 2.022 10 0 BEAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037164311 385597484 /nfs/dbraw/zinc/59/74/84/385597484.db2.gz VDJLERVCFAVMNO-QWHCGFSZSA-N 1 0 235.327 2.088 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CC(F)(F)C2)C1(C)C ZINC000309444187 385583846 /nfs/dbraw/zinc/58/38/46/385583846.db2.gz JHPIDRJIWNSETF-FKTZTGRPSA-N 1 0 233.302 2.433 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](OCc2ccccc2)C1 ZINC000075606546 385588481 /nfs/dbraw/zinc/58/84/81/385588481.db2.gz ZJXHVYNFOOHLNB-OLZOCXBDSA-N 1 0 205.301 2.473 10 0 BEAERO [NH3+]Cc1c[nH]c(-c2ccccc2Cl)n1 ZINC000062820855 385634500 /nfs/dbraw/zinc/63/45/00/385634500.db2.gz KRTDEQRRXXOSKE-UHFFFAOYSA-N 1 0 207.664 2.189 10 0 BEAERO c1ccc2c(c1)C[C@H]2CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250853535 385611270 /nfs/dbraw/zinc/61/12/70/385611270.db2.gz NTRUBZPZKLCAOZ-GJZGRUSLSA-N 1 0 242.366 2.106 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CC[C@H]2CCOC2)o1 ZINC000309504496 385641591 /nfs/dbraw/zinc/64/15/91/385641591.db2.gz VOBLDXDPGWCTPR-QWRGUYRKSA-N 1 0 224.304 2.060 10 0 BEAERO [NH3+]C1CC(C(=O)c2ccc(Cl)s2)C1 ZINC000259126226 385653532 /nfs/dbraw/zinc/65/35/32/385653532.db2.gz JDGADCQDDKKJGA-UHFFFAOYSA-N 1 0 215.705 2.322 10 0 BEAERO C/C=C/CNc1c(N)c[nH+]cc1Br ZINC000306946095 385660760 /nfs/dbraw/zinc/66/07/60/385660760.db2.gz KXSANGAZPHEQQN-NSCUHMNNSA-N 1 0 242.120 2.414 10 0 BEAERO CC[NH2+][C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000643201840 385672464 /nfs/dbraw/zinc/67/24/64/385672464.db2.gz GNFGMKRVZLXQMF-RISCZKNCSA-N 1 0 246.354 2.178 10 0 BEAERO Cc1c[nH]c(C[NH+]2CCCCC2)c(C)c1=O ZINC000253559854 385681653 /nfs/dbraw/zinc/68/16/53/385681653.db2.gz ACCKXIGRZFGZJY-UHFFFAOYSA-N 1 0 220.316 2.390 10 0 BEAERO CC[C@H]([NH2+]CCCCS(C)(=O)=O)C(C)(C)C ZINC000336736196 385740337 /nfs/dbraw/zinc/74/03/37/385740337.db2.gz MLEWIZLTFBRTKE-NSHDSACASA-N 1 0 249.420 2.226 10 0 BEAERO CC(C)CCC[NH2+][C@H]1CCc2nccn2C1 ZINC000309616909 385744395 /nfs/dbraw/zinc/74/43/95/385744395.db2.gz OCPILJYVUOKSNA-LBPRGKRZSA-N 1 0 221.348 2.224 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336736894 385756856 /nfs/dbraw/zinc/75/68/56/385756856.db2.gz NCDIVJMVRXVUAT-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccccn1 ZINC000270928568 385760951 /nfs/dbraw/zinc/76/09/51/385760951.db2.gz PRMXIGTZMDONRN-OBJOEFQTSA-N 1 0 234.343 2.283 10 0 BEAERO CC/C=C(\C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186499946 385761696 /nfs/dbraw/zinc/76/16/96/385761696.db2.gz LFSQZQBTNJVPQS-JXDHDYMSSA-N 1 0 236.359 2.086 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000414548926 385724888 /nfs/dbraw/zinc/72/48/88/385724888.db2.gz LCOLFTGTVXGWMO-AWEZNQCLSA-N 1 0 248.370 2.187 10 0 BEAERO C[S@](=O)C1(C[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000336714294 385809982 /nfs/dbraw/zinc/80/99/82/385809982.db2.gz UXDWKQWYLRCREV-MMPTUQATSA-N 1 0 247.379 2.015 10 0 BEAERO [NH3+]Cc1cccc(OCc2ccccc2)n1 ZINC000051523236 385840758 /nfs/dbraw/zinc/84/07/58/385840758.db2.gz NQGMSVSDUMTZSI-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO CC[C@H]([NH2+]CCOCCOC)C(C)(C)C ZINC000336741287 385856039 /nfs/dbraw/zinc/85/60/39/385856039.db2.gz VKYGHFSNBZROQN-NSHDSACASA-N 1 0 217.353 2.064 10 0 BEAERO CC[C@H]([NH2+]CCCC(=O)N(C)C)C(C)(C)C ZINC000309693421 385795125 /nfs/dbraw/zinc/79/51/25/385795125.db2.gz KHTQOXPIZUBUNW-NSHDSACASA-N 1 0 228.380 2.269 10 0 BEAERO C[NH2+][C@H]1COC[C@@H]1c1ccc(Cl)s1 ZINC000575532533 385885584 /nfs/dbraw/zinc/88/55/84/385885584.db2.gz WJDSNLUNLRMHIB-BQBZGAKWSA-N 1 0 217.721 2.103 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccncc1 ZINC000218798813 385908875 /nfs/dbraw/zinc/90/88/75/385908875.db2.gz IDHJDGRVWUEEES-YUTCNCBUSA-N 1 0 234.343 2.283 10 0 BEAERO C[C@H](O)CCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336767874 385929708 /nfs/dbraw/zinc/92/97/08/385929708.db2.gz SVCKJYDYRRNWOB-TUAOUCFPSA-N 1 0 217.328 2.265 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H]1C[C@H]1C ZINC000336746236 385929810 /nfs/dbraw/zinc/92/98/10/385929810.db2.gz BSBDLEFAMGIKTJ-JHJVBQTASA-N 1 0 212.381 2.208 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)cc1 ZINC000123196061 385866626 /nfs/dbraw/zinc/86/66/26/385866626.db2.gz VEQZTFJCUBNMFV-NWDGAFQWSA-N 1 0 207.317 2.102 10 0 BEAERO C[C@@H]1OCC[C@]1([NH3+])CC=C(Cl)Cl ZINC000575531570 385877604 /nfs/dbraw/zinc/87/76/04/385877604.db2.gz PUZCTQFOKNGQMT-POYBYMJQSA-N 1 0 210.104 2.202 10 0 BEAERO Fc1cc(CN[C@@H]2CC[NH2+]C2)c(F)cc1Cl ZINC000335018709 385978922 /nfs/dbraw/zinc/97/89/22/385978922.db2.gz IVFAHVOQFASWFG-MRVPVSSYSA-N 1 0 246.688 2.070 10 0 BEAERO CCc1ccccc1C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000189337136 385982336 /nfs/dbraw/zinc/98/23/36/385982336.db2.gz RFGVWYWWDLSUCQ-CQSZACIVSA-N 1 0 248.370 2.109 10 0 BEAERO Fc1cccc(COC[C@H]2CCC[NH2+]2)c1F ZINC000051816533 385942582 /nfs/dbraw/zinc/94/25/82/385942582.db2.gz MHHCZZHQGKAZHN-SNVBAGLBSA-N 1 0 227.254 2.233 10 0 BEAERO COC[C@H](C)NCc1ncc(C(C)(C)C)o1 ZINC000309460104 386012617 /nfs/dbraw/zinc/01/26/17/386012617.db2.gz NRHVTYBHSJSSNV-VIFPVBQESA-N 1 0 226.320 2.097 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000189523962 386021698 /nfs/dbraw/zinc/02/16/98/386021698.db2.gz UABDKYXSMBTDOV-IYXRBSQSSA-N 1 0 240.391 2.016 10 0 BEAERO C[C@H]1C[C@]1([NH3+])Cc1ccncc1Br ZINC000575562778 386033885 /nfs/dbraw/zinc/03/38/85/386033885.db2.gz DDPXKJMYLYYCPU-XVKPBYJWSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000291759613 386039372 /nfs/dbraw/zinc/03/93/72/386039372.db2.gz RFJKBIGIQIBISR-LDYMZIIASA-N 1 0 238.356 2.288 10 0 BEAERO CCC[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000038086664 386120450 /nfs/dbraw/zinc/12/04/50/386120450.db2.gz JLECESWRCUQOFE-AWEZNQCLSA-N 1 0 218.344 2.433 10 0 BEAERO CCc1nc(C)cn1CCC1CC[NH2+]CC1 ZINC000222940833 386069825 /nfs/dbraw/zinc/06/98/25/386069825.db2.gz FRFBQHZMLXFFMB-UHFFFAOYSA-N 1 0 221.348 2.144 10 0 BEAERO [NH3+]CCCn1cc(-c2ccc(F)cc2F)cn1 ZINC000310073120 386079429 /nfs/dbraw/zinc/07/94/29/386079429.db2.gz FBOOFKBXWYABIB-UHFFFAOYSA-N 1 0 237.253 2.177 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)CC(C)C)c1 ZINC000124550601 386093016 /nfs/dbraw/zinc/09/30/16/386093016.db2.gz XMTAWLGULFPBSP-LBPRGKRZSA-N 1 0 209.337 2.216 10 0 BEAERO [NH3+][C@]1(c2ccsn2)CCCSCC1 ZINC000575571319 386145123 /nfs/dbraw/zinc/14/51/23/386145123.db2.gz NAAIOAIYIHVBPQ-SECBINFHSA-N 1 0 214.359 2.214 10 0 BEAERO CCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000055087314 386154574 /nfs/dbraw/zinc/15/45/74/386154574.db2.gz ZSFHPJMWLGXJLJ-NWDGAFQWSA-N 1 0 238.375 2.295 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000224879037 386154984 /nfs/dbraw/zinc/15/49/84/386154984.db2.gz NUSOTAVPUYWBRF-MWLCHTKSSA-N 1 0 237.299 2.344 10 0 BEAERO CCC[C@H](CC)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088096 386156006 /nfs/dbraw/zinc/15/60/06/386156006.db2.gz QXRWSQOPVXFULT-SRVKXCTJSA-N 1 0 226.364 2.199 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000131932514 386226215 /nfs/dbraw/zinc/22/62/15/386226215.db2.gz LNRGBKXCHKUDJD-JVXZTZIISA-N 1 0 245.244 2.371 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000131932898 386227666 /nfs/dbraw/zinc/22/76/66/386227666.db2.gz LNRGBKXCHKUDJD-MADCSZMMSA-N 1 0 245.244 2.371 10 0 BEAERO CC(C)c1csc(NC(=O)C(C)(C)C[NH3+])n1 ZINC000133038956 386285907 /nfs/dbraw/zinc/28/59/07/386285907.db2.gz PGCYZPVAWKKHLB-UHFFFAOYSA-N 1 0 241.360 2.190 10 0 BEAERO CCN1C[C@H]([NH2+]CC2CCC(C)CC2)CC1=O ZINC000391462036 386318117 /nfs/dbraw/zinc/31/81/17/386318117.db2.gz ITDONYWKVHRQPK-WXRRBKDZSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](O)CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000336683156 386345102 /nfs/dbraw/zinc/34/51/02/386345102.db2.gz SOVKHDUHGBVGOS-WDEREUQCSA-N 1 0 240.372 2.441 10 0 BEAERO Cc1nocc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000339387131 386399351 /nfs/dbraw/zinc/39/93/51/386399351.db2.gz DXEPVVWLRNDIGU-PEGIJTEDSA-N 1 0 238.331 2.276 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(C(=O)OC(C)(C)C)C[C@H]1C ZINC000521401224 386451767 /nfs/dbraw/zinc/45/17/67/386451767.db2.gz ZSZACOUMQUPYON-GIPNMCIBSA-N 1 0 227.348 2.482 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccccc1F ZINC000399164003 386428136 /nfs/dbraw/zinc/42/81/36/386428136.db2.gz CQFSDOCEJYZTSL-CMPLNLGQSA-N 1 0 223.291 2.171 10 0 BEAERO Cc1cccc(C[N@H+]2C[C@H](O)CC[C@@H]2C)c1 ZINC000399158354 386430229 /nfs/dbraw/zinc/43/02/29/386430229.db2.gz AUMOUROEOFXFQB-GXTWGEPZSA-N 1 0 219.328 2.340 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1nc(C)ccc1O ZINC000165045894 386498796 /nfs/dbraw/zinc/49/87/96/386498796.db2.gz MKSSVAXMYQXDMT-WDEREUQCSA-N 1 0 220.316 2.374 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)C[NH2+]CC1CC1 ZINC000135282614 386499726 /nfs/dbraw/zinc/49/97/26/386499726.db2.gz LHOQXRLRSMMAJX-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1ccncc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000135498797 386510357 /nfs/dbraw/zinc/51/03/57/386510357.db2.gz OUWGUTQVNPYCMO-YIONKMFJSA-N 1 0 245.370 2.105 10 0 BEAERO Cc1ccncc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000227953695 386523758 /nfs/dbraw/zinc/52/37/58/386523758.db2.gz WOONCSMNYBZPHR-UKRRQHHQSA-N 1 0 245.370 2.059 10 0 BEAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1C ZINC000187743727 386589693 /nfs/dbraw/zinc/58/96/93/386589693.db2.gz KWTVHZYAYVMWRK-RYUDHWBXSA-N 1 0 239.384 2.370 10 0 BEAERO Cc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000414450568 386533822 /nfs/dbraw/zinc/53/38/22/386533822.db2.gz XYZCPRKMPIARKP-RYUDHWBXSA-N 1 0 249.358 2.078 10 0 BEAERO Cc1[nH+]ccc(N[C@H](C)[C@@H]2CCCO2)c1Cl ZINC000336646551 386635113 /nfs/dbraw/zinc/63/51/13/386635113.db2.gz DWINAFHUTXXGJV-KCJUWKMLSA-N 1 0 240.734 2.445 10 0 BEAERO C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000062910889 386653970 /nfs/dbraw/zinc/65/39/70/386653970.db2.gz KTLZTOLBUYALRS-ZDUSSCGKSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000245955778 386612376 /nfs/dbraw/zinc/61/23/76/386612376.db2.gz QNQLIGWSIBXMCF-NWANDNLSSA-N 1 0 248.370 2.056 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccsc1 ZINC000295141423 386691127 /nfs/dbraw/zinc/69/11/27/386691127.db2.gz ZVOUVHLBJGABPK-GXSJLCMTSA-N 1 0 211.330 2.093 10 0 BEAERO Cc1c[nH]nc1CN[C@H](C)c1cncc(F)c1 ZINC000352844369 386707407 /nfs/dbraw/zinc/70/74/07/386707407.db2.gz XWAOVGFPPILGGG-SECBINFHSA-N 1 0 234.278 2.103 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC12CCOCC2 ZINC000336761138 386756786 /nfs/dbraw/zinc/75/67/86/386756786.db2.gz MWNUSRLTNOVHFE-GRYCIOLGSA-N 1 0 209.333 2.049 10 0 BEAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396589036 386777720 /nfs/dbraw/zinc/77/77/20/386777720.db2.gz SLMLYLKXUWLUMH-SGMGOOAPSA-N 1 0 218.344 2.478 10 0 BEAERO C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248653118 386786878 /nfs/dbraw/zinc/78/68/78/386786878.db2.gz OKIKAASARHUOTK-JSGCOSHPSA-N 1 0 249.354 2.219 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](COC)OC ZINC000336671639 386817941 /nfs/dbraw/zinc/81/79/41/386817941.db2.gz APKPYZWGRGFIHF-AGIUHOORSA-N 1 0 229.364 2.206 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccccc2CCO)C1 ZINC000616617522 386819233 /nfs/dbraw/zinc/81/92/33/386819233.db2.gz SAZKOVAPBRFDCG-AWEZNQCLSA-N 1 0 233.355 2.421 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](O)C(C)C)C(C)(C)C ZINC000336671738 386821912 /nfs/dbraw/zinc/82/19/12/386821912.db2.gz ZDJJCQRJYGYKHZ-GHMZBOCLSA-N 1 0 201.354 2.418 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2ccsc2Br)C1 ZINC000575454248 386833414 /nfs/dbraw/zinc/83/34/14/386833414.db2.gz SBHKMVBEVHRARX-VDTYLAMSSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2ccsc2Br)C1 ZINC000575454219 386833857 /nfs/dbraw/zinc/83/38/57/386833857.db2.gz SBHKMVBEVHRARX-CAHLUQPWSA-N 1 0 248.145 2.299 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2ncc(Cl)cn2)C1 ZINC000093537345 386836606 /nfs/dbraw/zinc/83/66/06/386836606.db2.gz VNDFHMIJBVYYSQ-SNVBAGLBSA-N 1 0 240.738 2.026 10 0 BEAERO CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367281966 386843754 /nfs/dbraw/zinc/84/37/54/386843754.db2.gz FOSBTBDDSMPCAR-FVCCEPFGSA-N 1 0 238.375 2.022 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC1 ZINC000336762290 386912653 /nfs/dbraw/zinc/91/26/53/386912653.db2.gz NPKICGCSPMIRED-OLZOCXBDSA-N 1 0 210.365 2.251 10 0 BEAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000395111510 386930050 /nfs/dbraw/zinc/93/00/50/386930050.db2.gz HANUCHHVXQZJIS-IJEWVQPXSA-N 1 0 245.366 2.419 10 0 BEAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000395111512 386930146 /nfs/dbraw/zinc/93/01/46/386930146.db2.gz HANUCHHVXQZJIS-OFQRWUPVSA-N 1 0 245.366 2.419 10 0 BEAERO CC(C)C[C@H](C[NH3+])CC(=O)OC(C)(C)C ZINC000083862708 386945408 /nfs/dbraw/zinc/94/54/08/386945408.db2.gz POJOFZKIWCCJAO-JTQLQIEISA-N 1 0 215.337 2.339 10 0 BEAERO CC1(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)CCC1 ZINC000398711684 386964679 /nfs/dbraw/zinc/96/46/79/386964679.db2.gz CYIMUOAJYYMYIK-AVGNSLFASA-N 1 0 223.360 2.269 10 0 BEAERO C(C[N@@H+]1C[C@H]2CCCCC[C@H]21)C1OCCO1 ZINC000368437836 386973030 /nfs/dbraw/zinc/97/30/30/386973030.db2.gz XCHBIBZUOKFMJT-VXGBXAGGSA-N 1 0 225.332 2.014 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)C)C(N)=O ZINC000126069619 386982239 /nfs/dbraw/zinc/98/22/39/386982239.db2.gz HMIXFMDHKVIMBM-GRYCIOLGSA-N 1 0 226.364 2.055 10 0 BEAERO [NH3+]Cc1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000146244099 386994585 /nfs/dbraw/zinc/99/45/85/386994585.db2.gz MDQXHBVWVLDNDI-UHFFFAOYSA-N 1 0 215.178 2.326 10 0 BEAERO CN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000104362504 387002467 /nfs/dbraw/zinc/00/24/67/387002467.db2.gz ZVDYKWZADUZGER-STQMWFEESA-N 1 0 238.375 2.153 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000398695627 386951831 /nfs/dbraw/zinc/95/18/31/386951831.db2.gz DKNKAZTUBTVRGE-KCQAQPDRSA-N 1 0 249.329 2.419 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])[C@]1(C)C[C@H]1F ZINC000575457680 387031279 /nfs/dbraw/zinc/03/12/79/387031279.db2.gz KWSSLPDNYLWHBH-BWVDBABLSA-N 1 0 200.282 2.199 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])[C@@]1(C)C[C@H]1F ZINC000575457683 387031436 /nfs/dbraw/zinc/03/14/36/387031436.db2.gz KWSSLPDNYLWHBH-YEPSODPASA-N 1 0 200.282 2.199 10 0 BEAERO C[NH2+][C@H]1CO[C@@H](c2sccc2Cl)C1 ZINC000575461426 387031552 /nfs/dbraw/zinc/03/15/52/387031552.db2.gz IBNJIBNUSQGLEF-HTRCEHHLSA-N 1 0 217.721 2.451 10 0 BEAERO Cc1nc([C@@]2([NH3+])CCS[C@@H]2C)cs1 ZINC000575462334 387033027 /nfs/dbraw/zinc/03/30/27/387033027.db2.gz BMCDLRQQFHXEGI-HZGVNTEJSA-N 1 0 214.359 2.131 10 0 BEAERO Cc1ncsc1C1([NH3+])CCSCC1 ZINC000575579041 387046458 /nfs/dbraw/zinc/04/64/58/387046458.db2.gz VUEXATGTGPGJND-UHFFFAOYSA-N 1 0 214.359 2.133 10 0 BEAERO C[C@H]1C[C@]1([NH3+])Cc1ccc(Br)o1 ZINC000575582702 387058378 /nfs/dbraw/zinc/05/83/78/387058378.db2.gz RYAYOKXDIXLJQR-RCOVLWMOSA-N 1 0 230.105 2.322 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccncc1Br ZINC000575582754 387059934 /nfs/dbraw/zinc/05/99/34/387059934.db2.gz HFKJRRXBDGQENO-CNUIFLNQSA-N 1 0 241.132 2.295 10 0 BEAERO C[NH2+][C@@H]1CO[C@@H](c2occc2Br)C1 ZINC000575468487 387073908 /nfs/dbraw/zinc/07/39/08/387073908.db2.gz YZEAWUQZKHXASC-POYBYMJQSA-N 1 0 246.104 2.092 10 0 BEAERO C[NH2+][C@H]1CO[C@@H](c2occc2Br)C1 ZINC000575468486 387074173 /nfs/dbraw/zinc/07/41/73/387074173.db2.gz YZEAWUQZKHXASC-HTRCEHHLSA-N 1 0 246.104 2.092 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])Cc1cncc(Br)c1 ZINC000575467479 387076832 /nfs/dbraw/zinc/07/68/32/387076832.db2.gz VJWJXTCTLNWBLC-GMSGAONNSA-N 1 0 241.132 2.124 10 0 BEAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000246372719 387080914 /nfs/dbraw/zinc/08/09/14/387080914.db2.gz MIPMHIUCNIFMTH-CHWSQXEVSA-N 1 0 235.331 2.116 10 0 BEAERO Cc1cnc(N2CCC3(CC[NH2+]C3)CC2)s1 ZINC000334993155 387082791 /nfs/dbraw/zinc/08/27/91/387082791.db2.gz RZCDZELNSIOAGR-UHFFFAOYSA-N 1 0 237.372 2.031 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000418090400 387097795 /nfs/dbraw/zinc/09/77/95/387097795.db2.gz CMXJJBNMCSWNCR-JYJNAYRXSA-N 1 0 244.382 2.474 10 0 BEAERO CC[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068223717 387101125 /nfs/dbraw/zinc/10/11/25/387101125.db2.gz HIKUFAZWUUTGFU-VXGBXAGGSA-N 1 0 228.380 2.125 10 0 BEAERO [NH3+][C@@H](CC(F)F)c1ccc2c(c1)CCO2 ZINC000575437555 387108632 /nfs/dbraw/zinc/10/86/32/387108632.db2.gz IQZZVMZFXNUNSL-VIFPVBQESA-N 1 0 213.227 2.277 10 0 BEAERO COc1ccc([C@H]([NH3+])CC(F)F)c(OC)c1 ZINC000575437702 387111013 /nfs/dbraw/zinc/11/10/13/387111013.db2.gz PEGZNSHILDAJAW-SECBINFHSA-N 1 0 231.242 2.359 10 0 BEAERO COc1cccc([C@@H]([NH3+])CCF)c1F ZINC000575437881 387111450 /nfs/dbraw/zinc/11/14/50/387111450.db2.gz AZAXRGMWMWFEHS-QMMMGPOBSA-N 1 0 201.216 2.194 10 0 BEAERO COc1ccc([C@@H]([NH3+])CC(F)F)cc1O ZINC000575439031 387121038 /nfs/dbraw/zinc/12/10/38/387121038.db2.gz ORGCAJLCRAXHMB-ZETCQYMHSA-N 1 0 217.215 2.056 10 0 BEAERO CC(=O)Nc1ccc([C@H]([NH3+])CCF)cc1 ZINC000575439256 387121328 /nfs/dbraw/zinc/12/13/28/387121328.db2.gz RJOURXFZWDJUHF-LLVKDONJSA-N 1 0 210.252 2.004 10 0 BEAERO COc1ccc([C@H]([NH3+])CCF)c(F)c1 ZINC000575439127 387121680 /nfs/dbraw/zinc/12/16/80/387121680.db2.gz TUYSAZYDNMFXOL-SNVBAGLBSA-N 1 0 201.216 2.194 10 0 BEAERO CCOc1cc([C@@H]([NH3+])CCF)ccc1O ZINC000575439550 387123677 /nfs/dbraw/zinc/12/36/77/387123677.db2.gz GTHGKBPPUDMRAT-VIFPVBQESA-N 1 0 213.252 2.150 10 0 BEAERO C[C@H]1CCCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000335029684 387124895 /nfs/dbraw/zinc/12/48/95/387124895.db2.gz PKGHIDSDSPDIOI-JSGCOSHPSA-N 1 0 238.375 2.167 10 0 BEAERO COc1c(F)cccc1[C@@H]([NH3+])CC(F)F ZINC000575439877 387125848 /nfs/dbraw/zinc/12/58/48/387125848.db2.gz WVMWPGRSZNAODY-QMMMGPOBSA-N 1 0 219.206 2.489 10 0 BEAERO [NH3+][C@@H](CCF)c1cccc2c1OC(F)(F)O2 ZINC000575438427 387128880 /nfs/dbraw/zinc/12/88/80/387128880.db2.gz IVTXSZJMPPTVRU-ZETCQYMHSA-N 1 0 233.189 2.368 10 0 BEAERO CC[C@@H](C)[NH2+]CCCc1c(C)nn(C)c1C ZINC000062808299 387142612 /nfs/dbraw/zinc/14/26/12/387142612.db2.gz LAWVNJHYZHZXAU-SNVBAGLBSA-N 1 0 223.364 2.358 10 0 BEAERO CN(C)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000023069859 387149113 /nfs/dbraw/zinc/14/91/13/387149113.db2.gz FXOGIUBNPMYFMF-JTQLQIEISA-N 1 0 232.249 2.267 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@]12CC[C@H]([NH3+])C2 ZINC000307290076 387159641 /nfs/dbraw/zinc/15/96/41/387159641.db2.gz ZVJHYQSIDJVEIE-GXFFZTMASA-N 1 0 240.347 2.267 10 0 BEAERO OCC[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000229210987 387163184 /nfs/dbraw/zinc/16/31/84/387163184.db2.gz AMNWUBQHHXOFFS-JSGCOSHPSA-N 1 0 231.339 2.031 10 0 BEAERO Cc1ccccc1[C@@H](C[NH3+])C1(CO)CCC1 ZINC000536953017 387165156 /nfs/dbraw/zinc/16/51/56/387165156.db2.gz GNMSSWCKWHRMEC-CYBMUJFWSA-N 1 0 219.328 2.200 10 0 BEAERO CN(C)c1ccc([C@@H]2C[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC000536956019 387168981 /nfs/dbraw/zinc/16/89/81/387168981.db2.gz SUULOWFOZXNGHD-XBFCOCLRSA-N 1 0 216.328 2.076 10 0 BEAERO Cn1cc(Br)c([C@H]([NH3+])C(C)(C)C)n1 ZINC000575482091 387181419 /nfs/dbraw/zinc/18/14/19/387181419.db2.gz JGIXOJODYQAWIV-QMMMGPOBSA-N 1 0 246.152 2.229 10 0 BEAERO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)s1 ZINC000336395382 387221814 /nfs/dbraw/zinc/22/18/14/387221814.db2.gz JDPOWNXKKUKNJK-VXGBXAGGSA-N 1 0 225.357 2.402 10 0 BEAERO C1CC([N@@H+]2CCSC3(CCOCC3)C2)C1 ZINC000187728043 387230823 /nfs/dbraw/zinc/23/08/23/387230823.db2.gz ZDGLNQPORDZXJX-UHFFFAOYSA-N 1 0 227.373 2.137 10 0 BEAERO c1n[nH]cc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035763578 387231250 /nfs/dbraw/zinc/23/12/50/387231250.db2.gz IZDJLMNGALKYJU-ZDUSSCGKSA-N 1 0 242.326 2.096 10 0 BEAERO CCOCCN1CC[N@H+](C[C@@H](C)CC)C[C@H]1C ZINC000120452132 387247236 /nfs/dbraw/zinc/24/72/36/387247236.db2.gz FZVRRBFYSVOLGY-UONOGXRCSA-N 1 0 242.407 2.075 10 0 BEAERO CC(C)NC(=[NH2+])[C@@H]1CCCSCC1 ZINC000575484658 387251815 /nfs/dbraw/zinc/25/18/15/387251815.db2.gz ZZIXAGJAAMKGBY-SECBINFHSA-N 1 0 200.351 2.495 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1c(C)cnn1C ZINC000286033769 387309765 /nfs/dbraw/zinc/30/97/65/387309765.db2.gz QMORHTPBLQRCHZ-GHMZBOCLSA-N 1 0 207.321 2.007 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000575488363 387259108 /nfs/dbraw/zinc/25/91/08/387259108.db2.gz KNZXCUHBVPROCH-HZSPNIEDSA-N 1 0 243.354 2.489 10 0 BEAERO Cn1nccc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000285507292 387271070 /nfs/dbraw/zinc/27/10/70/387271070.db2.gz DAELQKVYSBXMGC-JQWIXIFHSA-N 1 0 225.311 2.038 10 0 BEAERO CCC[C@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000120926930 387285411 /nfs/dbraw/zinc/28/54/11/387285411.db2.gz DHTCRGMJZZQBJE-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO CC[N@H+](C[C@@H](O)C(F)(F)F)[C@@H](C)C(C)C ZINC000121074970 387291148 /nfs/dbraw/zinc/29/11/48/387291148.db2.gz BASIASZNAAQVAK-DTWKUNHWSA-N 1 0 227.270 2.276 10 0 BEAERO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392893288 387298789 /nfs/dbraw/zinc/29/87/89/387298789.db2.gz OSVUZEAFKATRNB-VWYCJHECSA-N 1 0 226.364 2.068 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000392892777 387299142 /nfs/dbraw/zinc/29/91/42/387299142.db2.gz BIOHQRSXMZBIRO-WCQYABFASA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392908210 387301219 /nfs/dbraw/zinc/30/12/19/387301219.db2.gz YKYMXWBTLUTDOQ-QNWHQSFQSA-N 1 0 240.391 2.458 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392941801 387302781 /nfs/dbraw/zinc/30/27/81/387302781.db2.gz PXJYNBKDIWNSIA-RXGFPQBGSA-N 1 0 238.375 2.068 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]2[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000575601783 387368417 /nfs/dbraw/zinc/36/84/17/387368417.db2.gz CPDIIKRAXWDCDS-CYDGBPFRSA-N 1 0 203.285 2.146 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2cscc2Br)C1 ZINC000575506857 387374455 /nfs/dbraw/zinc/37/44/55/387374455.db2.gz CEMOEQFLPDKARR-XRGYYRRGSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2cscc2Br)C1 ZINC000575506848 387375696 /nfs/dbraw/zinc/37/56/96/387375696.db2.gz CEMOEQFLPDKARR-SVGQVSJJSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2sccc2Cl)C1 ZINC000575506954 387376225 /nfs/dbraw/zinc/37/62/25/387376225.db2.gz DQRRWEXVXTXTPY-CAHLUQPWSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+]C1([C@H](O)c2ccc(Cl)s2)CCC1 ZINC000575496906 387326630 /nfs/dbraw/zinc/32/66/30/387326630.db2.gz CCHWIAOAIVLQBU-MRVPVSSYSA-N 1 0 217.721 2.316 10 0 BEAERO C[C@@]1(c2cncc(Br)c2)C[C@@H]1C[NH3+] ZINC000575499416 387340359 /nfs/dbraw/zinc/34/03/59/387340359.db2.gz KVFUASHOIJPDKG-SCZZXKLOSA-N 1 0 241.132 2.080 10 0 BEAERO C[C@H]1CC[N@@H+]([C@H]2CCCCC2=O)CCS1 ZINC000306555434 387343383 /nfs/dbraw/zinc/34/33/83/387343383.db2.gz LUHRFWCGSBLWLN-QWRGUYRKSA-N 1 0 227.373 2.326 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H]2CCCCC2=O)CCS1 ZINC000306555429 387343854 /nfs/dbraw/zinc/34/38/54/387343854.db2.gz LUHRFWCGSBLWLN-GHMZBOCLSA-N 1 0 227.373 2.326 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1c(C)n[nH]c1C ZINC000165024426 387344623 /nfs/dbraw/zinc/34/46/23/387344623.db2.gz PDEJLEZPKBFTBU-PWSUYJOCSA-N 1 0 207.321 2.305 10 0 BEAERO Cc1ccc(C(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000058327483 387350661 /nfs/dbraw/zinc/35/06/61/387350661.db2.gz KYMBTFOXMFFMQI-GFCCVEGCSA-N 1 0 203.285 2.320 10 0 BEAERO C1C[NH2+][C@@]2(CCCSCC2)SC1 ZINC000575516985 387426563 /nfs/dbraw/zinc/42/65/63/387426563.db2.gz BWHVVFHRLADVFQ-VIFPVBQESA-N 1 0 203.376 2.326 10 0 BEAERO CCOc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2O)cc1 ZINC000352674288 387432265 /nfs/dbraw/zinc/43/22/65/387432265.db2.gz PHSHPHSXKDDKFG-GJZGRUSLSA-N 1 0 249.354 2.431 10 0 BEAERO FC1(F)CC[C@H]2[NH2+]CCCS[C@H]2C1 ZINC000575520656 387446136 /nfs/dbraw/zinc/44/61/36/387446136.db2.gz RBTXOKKCCPCVFC-SFYZADRCSA-N 1 0 207.289 2.269 10 0 BEAERO C[C@]1(C(=O)NCc2ccccc2)CCCC[C@H]1[NH3+] ZINC000575513249 387386178 /nfs/dbraw/zinc/38/61/78/387386178.db2.gz HJPPRGKXVHWXBX-HIFRSBDPSA-N 1 0 246.354 2.210 10 0 BEAERO Cc1ncsc1[C@]1(F)CC[C@H]([NH3+])C1 ZINC000575513875 387388305 /nfs/dbraw/zinc/38/83/05/387388305.db2.gz AKLPNRAKRLFQOJ-CBAPKCEASA-N 1 0 200.282 2.128 10 0 BEAERO Cc1ncsc1[C@@]1(F)CC[C@@H]([NH3+])C1 ZINC000575513879 387388330 /nfs/dbraw/zinc/38/83/30/387388330.db2.gz AKLPNRAKRLFQOJ-VXNVDRBHSA-N 1 0 200.282 2.128 10 0 BEAERO [NH3+][C@@H](c1cncs1)[C@H]1CCCS1 ZINC000575514518 387389273 /nfs/dbraw/zinc/38/92/73/387389273.db2.gz KRPBRWAMRFAEOC-HTRCEHHLSA-N 1 0 200.332 2.039 10 0 BEAERO CC(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944237 387392069 /nfs/dbraw/zinc/39/20/69/387392069.db2.gz AJTJPCLJSALYBS-DCAQKATOSA-N 1 0 211.349 2.436 10 0 BEAERO Cc1nc(C[N@@H+]2CCCC[C@H](CO)C2)cs1 ZINC000374051149 387414963 /nfs/dbraw/zinc/41/49/63/387414963.db2.gz PVMIVIHHWFTDPO-NSHDSACASA-N 1 0 240.372 2.046 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCN(C)c1ccccc1 ZINC000085822376 387504367 /nfs/dbraw/zinc/50/43/67/387504367.db2.gz MUDNRFIAIBATPH-ZIAGYGMSSA-N 1 0 248.370 2.232 10 0 BEAERO CCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000086194153 387519076 /nfs/dbraw/zinc/51/90/76/387519076.db2.gz ICICYQRKRQMHNS-STQMWFEESA-N 1 0 210.365 2.345 10 0 BEAERO [NH3+]C1([C@@H](O)c2sccc2Br)CC1 ZINC000575528089 387537237 /nfs/dbraw/zinc/53/72/37/387537237.db2.gz OQRUQDNPZSJSTJ-ZETCQYMHSA-N 1 0 248.145 2.035 10 0 BEAERO CC1(C)C[NH2+]CC/C1=C\Br ZINC000575546334 387628338 /nfs/dbraw/zinc/62/83/38/387628338.db2.gz QEESCPFODUKAIN-FNORWQNLSA-N 1 0 204.111 2.285 10 0 BEAERO Cc1ccc(O)c(C[NH2+]C2CCSCC2)n1 ZINC000122727651 387591888 /nfs/dbraw/zinc/59/18/88/387591888.db2.gz IEPDIAHSWKHKLW-UHFFFAOYSA-N 1 0 238.356 2.081 10 0 BEAERO c1coc([C@@H]2CCC[N@H+]2CCC2OCCO2)c1 ZINC000124331011 387613804 /nfs/dbraw/zinc/61/38/04/387613804.db2.gz GIOQSBYSMHPUPI-NSHDSACASA-N 1 0 237.299 2.180 10 0 BEAERO Cc1cc(C)n2c(C[N@H+]3CCC[C@@H]3C)cnc2n1 ZINC000124342457 387613848 /nfs/dbraw/zinc/61/38/48/387613848.db2.gz NVLFXPSSOXSNDY-NSHDSACASA-N 1 0 244.342 2.330 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399550359 387552873 /nfs/dbraw/zinc/55/28/73/387552873.db2.gz ZHNQBSACYBEYMP-XDQVBPFNSA-N 1 0 243.391 2.140 10 0 BEAERO C[C@H]1C[NH2+][C@]2(CC[C@@H](C)SC2)S1 ZINC000575533702 387555633 /nfs/dbraw/zinc/55/56/33/387555633.db2.gz DYYLPPORJHSOEM-HRDYMLBCSA-N 1 0 203.376 2.323 10 0 BEAERO C[NH+](C)CCOC[C@H](O)c1ccc2occc2c1 ZINC000013889971 387632814 /nfs/dbraw/zinc/63/28/14/387632814.db2.gz QLLUZYFWGJZGRL-ZDUSSCGKSA-N 1 0 249.310 2.044 10 0 BEAERO C[C@@H]1Oc2c(ccc(F)c2Br)[C@H]1[NH3+] ZINC000575547392 387640026 /nfs/dbraw/zinc/64/00/26/387640026.db2.gz ZFLLGBLNEBTUDJ-NVNXEXLPSA-N 1 0 246.079 2.369 10 0 BEAERO C[C@H](N[C@@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000422731687 387640504 /nfs/dbraw/zinc/64/05/04/387640504.db2.gz OAGSXVRVOOXANM-IUCAKERBSA-N 1 0 240.297 2.223 10 0 BEAERO C[C@@H]1Oc2c(ccc(F)c2Br)[C@@H]1[NH3+] ZINC000575547393 387640728 /nfs/dbraw/zinc/64/07/28/387640728.db2.gz ZFLLGBLNEBTUDJ-RNHFCUEFSA-N 1 0 246.079 2.369 10 0 BEAERO CC[C@@H]1CS[C@]2(CCCC[C@H]2OC)[NH2+]1 ZINC000300214236 387651358 /nfs/dbraw/zinc/65/13/58/387651358.db2.gz NHZRZSIMVRSLDK-MXWKQRLJSA-N 1 0 215.362 2.387 10 0 BEAERO CC(C)CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123141700 387656441 /nfs/dbraw/zinc/65/64/41/387656441.db2.gz YZCQQDMLKAWQCE-STQMWFEESA-N 1 0 212.381 2.447 10 0 BEAERO CSc1ccc(C2([NH3+])CSC2)cc1 ZINC000575553767 387657675 /nfs/dbraw/zinc/65/76/75/387657675.db2.gz HPTXKETXIQMNJW-UHFFFAOYSA-N 1 0 211.355 2.309 10 0 BEAERO CCSCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123215438 387668782 /nfs/dbraw/zinc/66/87/82/387668782.db2.gz MGNJOUBBMRPZRK-NEPJUHHUSA-N 1 0 230.421 2.154 10 0 BEAERO CC(C)=CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123306052 387680964 /nfs/dbraw/zinc/68/09/64/387680964.db2.gz DJBZASGWBJEDBN-OLZOCXBDSA-N 1 0 210.365 2.367 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(c2cncs2)CS1 ZINC000575571850 387745742 /nfs/dbraw/zinc/74/57/42/387745742.db2.gz PJDQOHYYRHKXJM-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)C2)n1 ZINC000128455300 387747253 /nfs/dbraw/zinc/74/72/53/387747253.db2.gz CDDDYVIVJAZTLN-GXSJLCMTSA-N 1 0 220.316 2.374 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C)C2)n1 ZINC000128456006 387748338 /nfs/dbraw/zinc/74/83/38/387748338.db2.gz CDDDYVIVJAZTLN-KOLCDFICSA-N 1 0 220.316 2.374 10 0 BEAERO Cc1nc([C@]2([NH3+])CS[C@@H](C)C2)cs1 ZINC000575572898 387751392 /nfs/dbraw/zinc/75/13/92/387751392.db2.gz RWVLVOUBVLXVBZ-IMTBSYHQSA-N 1 0 214.359 2.131 10 0 BEAERO c1ccc(C2(CN[C@H]3CC[NH2+]C3)CCCC2)cc1 ZINC000422807583 387704129 /nfs/dbraw/zinc/70/41/29/387704129.db2.gz JYKNWXLYICVJSJ-HNNXBMFYSA-N 1 0 244.382 2.450 10 0 BEAERO Cc1cc(C[C@@]2([NH3+])CCSC2)cs1 ZINC000575564306 387705660 /nfs/dbraw/zinc/70/56/60/387705660.db2.gz FJBNFZVNSJEYGJ-JTQLQIEISA-N 1 0 213.371 2.433 10 0 BEAERO C[C@@H]1C[C@]([NH3+])(c2ccsc2Cl)CO1 ZINC000575564584 387721083 /nfs/dbraw/zinc/72/10/83/387721083.db2.gz GKXMIKLAYPLGQU-HZGVNTEJSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H]1C[C@]([NH3+])(c2ccsc2Cl)CO1 ZINC000575564588 387721527 /nfs/dbraw/zinc/72/15/27/387721527.db2.gz GKXMIKLAYPLGQU-IMTBSYHQSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H]1C[C@@]([NH3+])(c2ccc(Cl)s2)CO1 ZINC000575567771 387736342 /nfs/dbraw/zinc/73/63/42/387736342.db2.gz ZTJMUGRRCYPNTP-RCOVLWMOSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000131715442 387784767 /nfs/dbraw/zinc/78/47/67/387784767.db2.gz WTNNYLBOEBZZPS-TYNCELHUSA-N 1 0 233.355 2.150 10 0 BEAERO CCOc1cccc(CNc2[nH+]ccn2C)c1 ZINC000050605963 387795284 /nfs/dbraw/zinc/79/52/84/387795284.db2.gz OXOUMSQVSYPLAV-UHFFFAOYSA-N 1 0 231.299 2.431 10 0 BEAERO CCSCC[NH2+]CCOCCC(C)C ZINC000128929498 387759006 /nfs/dbraw/zinc/75/90/06/387759006.db2.gz UNKRQLVAFBHHEX-UHFFFAOYSA-N 1 0 219.394 2.392 10 0 BEAERO C[C@H]1CCCCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000528017907 387824339 /nfs/dbraw/zinc/82/43/39/387824339.db2.gz JEHMVKPRTLRERN-YWPUVAFDSA-N 1 0 211.349 2.316 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000528018091 387825575 /nfs/dbraw/zinc/82/55/75/387825575.db2.gz KCFZUYLWAIIWEG-CCAROEGRSA-N 1 0 223.360 2.316 10 0 BEAERO C[N@H+](CC1CCC1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000061482074 387842888 /nfs/dbraw/zinc/84/28/88/387842888.db2.gz ZKZKVLMENCYWPD-CABCVRRESA-N 1 0 231.339 2.377 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000432990400 387847405 /nfs/dbraw/zinc/84/74/05/387847405.db2.gz FGNSEABBJXRBCJ-WXRRBKDZSA-N 1 0 248.374 2.275 10 0 BEAERO C[C@@H](c1ccccc1F)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193621529 387860566 /nfs/dbraw/zinc/86/05/66/387860566.db2.gz GICFMGNUNCDREB-RWMBFGLXSA-N 1 0 248.345 2.380 10 0 BEAERO CN(CCC[NH3+])C(=O)c1cccc2ccccc21 ZINC000019833930 387860854 /nfs/dbraw/zinc/86/08/54/387860854.db2.gz ZLVCXPPRZNFQGG-UHFFFAOYSA-N 1 0 242.322 2.261 10 0 BEAERO Cc1cc(C)c(OCCC[NH+](C)C)c(N)c1 ZINC000041241511 177868228 /nfs/dbraw/zinc/86/82/28/177868228.db2.gz FWQSXGKWANWIMM-UHFFFAOYSA-N 1 0 222.332 2.216 10 0 BEAERO Cc1cc(C)c(OCC[NH+](C)C)c(C=O)c1 ZINC000040541795 177868296 /nfs/dbraw/zinc/86/82/96/177868296.db2.gz KQONLBQAEUCNMV-UHFFFAOYSA-N 1 0 221.300 2.056 10 0 BEAERO c1ccc2c(c1)ccnc2NC[C@H]1CCC[NH2+]1 ZINC000168718623 387904727 /nfs/dbraw/zinc/90/47/27/387904727.db2.gz LDZQSNWADAGINB-GFCCVEGCSA-N 1 0 227.311 2.399 10 0 BEAERO CCC[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195450852 387915729 /nfs/dbraw/zinc/91/57/29/387915729.db2.gz YFUVQONUIWLISS-QWHCGFSZSA-N 1 0 238.375 2.119 10 0 BEAERO COC[C@@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000178066876 387920825 /nfs/dbraw/zinc/92/08/25/387920825.db2.gz UAZLNIGGHULWAO-CHWSQXEVSA-N 1 0 237.343 2.216 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)on1 ZINC000245428704 387946381 /nfs/dbraw/zinc/94/63/81/387946381.db2.gz MRKGEGPHTJPLJL-KBPBESRZSA-N 1 0 249.358 2.042 10 0 BEAERO Cc1cc(C(C)(C)C)ccc1O[C@H]1C[NH2+]C[C@H]1O ZINC000104231019 177829713 /nfs/dbraw/zinc/82/97/13/177829713.db2.gz NXLNYEJCWQMAHL-OCCSQVGLSA-N 1 0 249.354 2.004 10 0 BEAERO Cc1ncccc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245803160 387983800 /nfs/dbraw/zinc/98/38/00/387983800.db2.gz YCDGUKXPJJFVTH-IUODEOHRSA-N 1 0 245.370 2.059 10 0 BEAERO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)co1 ZINC000245790979 387984681 /nfs/dbraw/zinc/98/46/81/387984681.db2.gz IRDNZLXGCXUSDP-YNEHKIRRSA-N 1 0 233.311 2.327 10 0 BEAERO CCOCCN1CC[N@H+](C[C@@H](C)CC)C[C@@H]1C ZINC000246174832 388017337 /nfs/dbraw/zinc/01/73/37/388017337.db2.gz FZVRRBFYSVOLGY-KBPBESRZSA-N 1 0 242.407 2.075 10 0 BEAERO Cc1c[nH+]ccc1NC[C@H]1CCCC[C@H]1O ZINC000082997461 388044448 /nfs/dbraw/zinc/04/44/48/388044448.db2.gz PBDFQNKWDZPSFK-DGCLKSJQSA-N 1 0 220.316 2.353 10 0 BEAERO C[C@@H]([NH3+])Cc1nc(C2CCCCCC2)no1 ZINC000083778971 388060408 /nfs/dbraw/zinc/06/04/08/388060408.db2.gz KVVILOSOUWTVBQ-SECBINFHSA-N 1 0 223.320 2.397 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccnc1 ZINC000083704994 388060559 /nfs/dbraw/zinc/06/05/59/388060559.db2.gz JHEBYCNPQKMHEU-DZGCQCFKSA-N 1 0 245.370 2.140 10 0 BEAERO CCC[NH+](CCC)Cc1nnc(C2CC2)n1C ZINC000195063153 388086633 /nfs/dbraw/zinc/08/66/33/388086633.db2.gz OMXHLWRGEQEZED-UHFFFAOYSA-N 1 0 236.363 2.315 10 0 BEAERO CC1(C)[C@H]([NH2+]CCc2ccco2)[C@@H]2CCO[C@@H]21 ZINC000085631526 388093162 /nfs/dbraw/zinc/09/31/62/388093162.db2.gz XRKYGLHRWKHJPG-XQQFMLRXSA-N 1 0 235.327 2.225 10 0 BEAERO C[C@H]([NH2+]Cc1cn[nH]c1)c1cccs1 ZINC000038005770 388098018 /nfs/dbraw/zinc/09/80/18/388098018.db2.gz DISHWHJUHABMMA-QMMMGPOBSA-N 1 0 207.302 2.322 10 0 BEAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)CO ZINC000086616793 388104551 /nfs/dbraw/zinc/10/45/51/388104551.db2.gz NLMNYDRKJZCPKP-RYUDHWBXSA-N 1 0 237.343 2.364 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000083143105 388046012 /nfs/dbraw/zinc/04/60/12/388046012.db2.gz UBMZEMYVHZNBEY-WDEREUQCSA-N 1 0 239.388 2.278 10 0 BEAERO CCC[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000646220549 388167786 /nfs/dbraw/zinc/16/77/86/388167786.db2.gz HKNDWUKWVCFLSF-OLZOCXBDSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@H]1O[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000449305835 388170464 /nfs/dbraw/zinc/17/04/64/388170464.db2.gz UNFHQPXYSDFIDW-AJSWTNHPSA-N 1 0 241.375 2.346 10 0 BEAERO C[C@@H]([NH3+])c1ccc2c(c1)OC(F)(F)O2 ZINC000082912767 388135247 /nfs/dbraw/zinc/13/52/47/388135247.db2.gz HGZYJRRTOSMVSB-RXMQYKEDSA-N 1 0 201.172 2.028 10 0 BEAERO CC(C)n1ncnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089091 388139987 /nfs/dbraw/zinc/13/99/87/388139987.db2.gz HMBYZYARJKEJLK-QJPTWQEYSA-N 1 0 234.347 2.137 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]CCCCC1CCOCC1 ZINC000305894493 256520442 /nfs/dbraw/zinc/52/04/42/256520442.db2.gz AGVMJGCYDHTVKK-TZMCWYRMSA-N 1 0 241.375 2.350 10 0 BEAERO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336662055 388259968 /nfs/dbraw/zinc/25/99/68/388259968.db2.gz CVZLQBOEHUTFFX-WHOHXGKFSA-N 1 0 249.395 2.217 10 0 BEAERO [NH3+]C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000008029037 388347745 /nfs/dbraw/zinc/34/77/45/388347745.db2.gz PNNUQEOGNSHGMN-ZDUSSCGKSA-N 1 0 243.306 2.052 10 0 BEAERO C[C@H]1C[NH2+][C@]2(CCCSCC2)S1 ZINC000575518806 388356250 /nfs/dbraw/zinc/35/62/50/388356250.db2.gz VGKADGGJJUSHTR-DTWKUNHWSA-N 1 0 203.376 2.325 10 0 BEAERO CC1(C)OCC[C@@]1([NH3+])C[Si](C)(C)C ZINC000575521147 388356921 /nfs/dbraw/zinc/35/69/21/388356921.db2.gz OBZJUYJBXLJQHO-SNVBAGLBSA-N 1 0 201.386 2.221 10 0 BEAERO CC1(C)OCC[C@]1([NH3+])C[Si](C)(C)C ZINC000575521144 388357381 /nfs/dbraw/zinc/35/73/81/388357381.db2.gz OBZJUYJBXLJQHO-JTQLQIEISA-N 1 0 201.386 2.221 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H](C)C1 ZINC000646534075 388377283 /nfs/dbraw/zinc/37/72/83/388377283.db2.gz UADKDSUVTYWQFL-NEPJUHHUSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@H](C)C1 ZINC000646534077 388377492 /nfs/dbraw/zinc/37/74/92/388377492.db2.gz UADKDSUVTYWQFL-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO [NH3+]C1CC(F)(Cc2ccc(Br)o2)C1 ZINC000307302972 388390104 /nfs/dbraw/zinc/39/01/04/388390104.db2.gz ZTGMDUCBTDSIGL-UHFFFAOYSA-N 1 0 248.095 2.414 10 0 BEAERO C[C@H](N[C@H]1CSC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000393852963 388444160 /nfs/dbraw/zinc/44/41/60/388444160.db2.gz OICIYLBQWSZNIZ-AXFHLTTASA-N 1 0 228.405 2.001 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1ccccc1 ZINC000295024025 388407824 /nfs/dbraw/zinc/40/78/24/388407824.db2.gz NKUHBDHBZAIKQD-OCCSQVGLSA-N 1 0 219.328 2.074 10 0 BEAERO C[C@H]([N@H+](C)C[C@@H]1Cc2ccccc21)C(C)(C)O ZINC000295115074 388409061 /nfs/dbraw/zinc/40/90/61/388409061.db2.gz IBGPAKNBOZRENV-AAEUAGOBSA-N 1 0 233.355 2.418 10 0 BEAERO C[C@@H]([N@H+](C)C[C@H]1Cc2ccccc21)C(C)(C)O ZINC000295115076 388409139 /nfs/dbraw/zinc/40/91/39/388409139.db2.gz IBGPAKNBOZRENV-DGCLKSJQSA-N 1 0 233.355 2.418 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc(Cl)cc1F ZINC000165726041 388410312 /nfs/dbraw/zinc/41/03/12/388410312.db2.gz UIZMVSHXBQAJRC-RNFRBKRXSA-N 1 0 231.702 2.412 10 0 BEAERO Cc1nc(N[C@@H](C)C[C@@H](C)[NH3+])sc1C ZINC000165753745 388410372 /nfs/dbraw/zinc/41/03/72/388410372.db2.gz QESYMEOTKSQGJF-RQJHMYQMSA-N 1 0 213.350 2.298 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)[C@H]1CC1(C)C ZINC000397599342 388481999 /nfs/dbraw/zinc/48/19/99/388481999.db2.gz LIMHIMMGZGTYIM-XQQFMLRXSA-N 1 0 224.392 2.495 10 0 BEAERO CCc1csc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000165760558 388411528 /nfs/dbraw/zinc/41/15/28/388411528.db2.gz ORRVUNUTKDHBSN-JGVFFNPUSA-N 1 0 213.350 2.243 10 0 BEAERO Cc1nc(N[C@H](C)C[C@@H](C)[NH3+])sc1C ZINC000165753867 388411591 /nfs/dbraw/zinc/41/15/91/388411591.db2.gz QESYMEOTKSQGJF-RNFRBKRXSA-N 1 0 213.350 2.298 10 0 BEAERO COCCn1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040163815 388412415 /nfs/dbraw/zinc/41/24/15/388412415.db2.gz FGRXXPWZGNXXMV-LBPRGKRZSA-N 1 0 245.326 2.107 10 0 BEAERO COCCn1c2ccccc2nc1[C@H]([NH3+])C(C)C ZINC000040163882 388412707 /nfs/dbraw/zinc/41/27/07/388412707.db2.gz SDHOXYAMMNHNPP-CYBMUJFWSA-N 1 0 247.342 2.339 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1C=CCCCCC1 ZINC000339156496 388479127 /nfs/dbraw/zinc/47/91/27/388479127.db2.gz GEFIHEGNURRKDK-RWMBFGLXSA-N 1 0 236.359 2.132 10 0 BEAERO C[C@H]1[C@H](O)CCCN1Cc1cccc(Cl)n1 ZINC000296405054 388422718 /nfs/dbraw/zinc/42/27/18/388422718.db2.gz UYZZRYWMKIYNPV-GXSJLCMTSA-N 1 0 240.734 2.080 10 0 BEAERO Cc1nc(C[N@H+]2CCC[C@H](O)[C@H]2C)sc1C ZINC000296451164 388424198 /nfs/dbraw/zinc/42/41/98/388424198.db2.gz WZQDCHRLHHOICJ-KOLCDFICSA-N 1 0 240.372 2.105 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CCO[C@H]21 ZINC000397760913 388497283 /nfs/dbraw/zinc/49/72/83/388497283.db2.gz VNSHGCXHKGFMOZ-LREJFELKSA-N 1 0 221.344 2.188 10 0 BEAERO CC[C@H]([NH2+]CCc1nc(C)no1)[C@@H]1CC1(C)C ZINC000397776293 388498238 /nfs/dbraw/zinc/49/82/38/388498238.db2.gz WFOBEIHCMGAOCF-QWRGUYRKSA-N 1 0 237.347 2.335 10 0 BEAERO COc1cc(F)cc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000312285693 388511486 /nfs/dbraw/zinc/51/14/86/388511486.db2.gz QMIQSEBLLPILPN-UFBFGSQYSA-N 1 0 209.264 2.332 10 0 BEAERO CCC[C@]1([NH2+]C[C@@H]2CCC[C@@H](O)C2)CCOC1 ZINC000378832081 388517165 /nfs/dbraw/zinc/51/71/65/388517165.db2.gz KNLULHNUUSJTSK-MCIONIFRSA-N 1 0 241.375 2.086 10 0 BEAERO c1cc2c(s1)CCN[C@H]2c1ccccn1 ZINC000066054606 388533349 /nfs/dbraw/zinc/53/33/49/388533349.db2.gz NBFMBZPUSOIWQS-GFCCVEGCSA-N 1 0 216.309 2.378 10 0 BEAERO CSC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000055237636 388597199 /nfs/dbraw/zinc/59/71/99/388597199.db2.gz AFWSRAAJOBFLMR-SECBINFHSA-N 1 0 203.257 2.328 10 0 BEAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]CC1CC1 ZINC000221043838 388609461 /nfs/dbraw/zinc/60/94/61/388609461.db2.gz RBIMVSZSYRQTPY-UHFFFAOYSA-N 1 0 242.363 2.289 10 0 BEAERO COC[C@H](C)N[C@@H]1COc2cccc(Cl)c21 ZINC000367408397 388565180 /nfs/dbraw/zinc/56/51/80/388565180.db2.gz SPLHMIQQQIPLIH-WCBMZHEXSA-N 1 0 241.718 2.398 10 0 BEAERO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367577526 388565291 /nfs/dbraw/zinc/56/52/91/388565291.db2.gz TXQVGVQODIMPAI-QZKOUSHUSA-N 1 0 249.329 2.239 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(C)C ZINC000245433836 388579180 /nfs/dbraw/zinc/57/91/80/388579180.db2.gz PLTNRVHSFUUKNN-OLZOCXBDSA-N 1 0 210.365 2.201 10 0 BEAERO COCC[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000125228064 388669577 /nfs/dbraw/zinc/66/95/77/388669577.db2.gz VWYDFKJUKQWHSX-VIFPVBQESA-N 1 0 227.279 2.131 10 0 BEAERO CC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000224739795 388669797 /nfs/dbraw/zinc/66/97/97/388669797.db2.gz SMCSFWIWJYVJKX-DCAQKATOSA-N 1 0 209.333 2.190 10 0 BEAERO C[C@H]([NH2+]CCCn1ccnn1)c1ccccc1 ZINC000125605415 388673452 /nfs/dbraw/zinc/67/34/52/388673452.db2.gz VQMULCAXFFDFCE-LBPRGKRZSA-N 1 0 230.315 2.019 10 0 BEAERO CC(=O)Nc1ccc([C@@H]([NH3+])CCF)cc1 ZINC000575439255 388626698 /nfs/dbraw/zinc/62/66/98/388626698.db2.gz RJOURXFZWDJUHF-NSHDSACASA-N 1 0 210.252 2.004 10 0 BEAERO COc1cc(C)cc(OC)c1[C@@H]([NH3+])CCF ZINC000575439310 388627181 /nfs/dbraw/zinc/62/71/81/388627181.db2.gz RGPNZQWAWLHLEK-VIFPVBQESA-N 1 0 227.279 2.372 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CC2)C1 ZINC000246269714 388627785 /nfs/dbraw/zinc/62/77/85/388627785.db2.gz RQEQCOPNQBMYLJ-WZRBSPASSA-N 1 0 210.365 2.103 10 0 BEAERO Cc1nccc(NC2CCC(C[NH+](C)C)CC2)n1 ZINC000128170997 388740356 /nfs/dbraw/zinc/74/03/56/388740356.db2.gz OPKQONRJCNRXMA-UHFFFAOYSA-N 1 0 248.374 2.317 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)[C@H]1C ZINC000251563186 388749418 /nfs/dbraw/zinc/74/94/18/388749418.db2.gz AJWIHLNWCUQLHJ-OVIZCXLRSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@H](C[N@@H+]1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000248997209 388703053 /nfs/dbraw/zinc/70/30/53/388703053.db2.gz GYEPVWRKOLATKG-QWHCGFSZSA-N 1 0 246.354 2.001 10 0 BEAERO C[N@@H+]1CCC[C@H]1CCSC1CCOCC1 ZINC000126987687 388710547 /nfs/dbraw/zinc/71/05/47/388710547.db2.gz JRYMADLASFUADP-NSHDSACASA-N 1 0 229.389 2.383 10 0 BEAERO CCC[C@H](C)[N@@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000249393368 388718904 /nfs/dbraw/zinc/71/89/04/388718904.db2.gz SDJRYDGGPMWAIU-KBPBESRZSA-N 1 0 242.407 2.218 10 0 BEAERO Cn1cc([C@@H]2CCC[N@@H+]2CC[C@H]2CCCO2)cn1 ZINC000249500596 388724014 /nfs/dbraw/zinc/72/40/14/388724014.db2.gz XCLIQTMICPCNFV-KGLIPLIRSA-N 1 0 249.358 2.126 10 0 BEAERO C[C@@H](O)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000127648606 388728854 /nfs/dbraw/zinc/72/88/54/388728854.db2.gz DUAGJFWLKJBDTQ-KWCYVHTRSA-N 1 0 219.328 2.151 10 0 BEAERO CCN(C)c1ccc(C[NH2+][C@@H]2C[C@H]2C)cn1 ZINC000249649637 388731345 /nfs/dbraw/zinc/73/13/45/388731345.db2.gz UMKVQTLSNVCRRL-ZYHUDNBSSA-N 1 0 219.332 2.036 10 0 BEAERO COc1cc(C)ccc1[C@H](C)[NH2+]CC1CC(O)C1 ZINC000091524420 388764757 /nfs/dbraw/zinc/76/47/57/388764757.db2.gz JIAFNEXWKSKJGF-HIFPTAJRSA-N 1 0 249.354 2.425 10 0 BEAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000091538264 388766333 /nfs/dbraw/zinc/76/63/33/388766333.db2.gz QGDQIBFPCVLETN-PGHLRGPGSA-N 1 0 235.327 2.264 10 0 BEAERO Cc1ncc([C@H]([NH3+])[C@@H]2CCCS2)s1 ZINC000575456209 388786183 /nfs/dbraw/zinc/78/61/83/388786183.db2.gz GCYKARIWIUZKIW-IONNQARKSA-N 1 0 214.359 2.347 10 0 BEAERO CC[C@H]1CCC[C@H]1[NH2+]CCc1nc(C)no1 ZINC000129386156 388837480 /nfs/dbraw/zinc/83/74/80/388837480.db2.gz SVFLSQYAAVGPHJ-WDEREUQCSA-N 1 0 223.320 2.089 10 0 BEAERO C[C@@H]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000129881370 388874003 /nfs/dbraw/zinc/87/40/03/388874003.db2.gz GAJRXSYJVPQOKC-AGIUHOORSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1ncc([C@@H]([NH3+])[C@@H]2CCSC2)s1 ZINC000575491558 388929803 /nfs/dbraw/zinc/92/98/03/388929803.db2.gz XQHLUWLDVGSQSO-APPZFPTMSA-N 1 0 214.359 2.204 10 0 BEAERO Cc1ccoc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000271178213 389017604 /nfs/dbraw/zinc/01/76/04/389017604.db2.gz KEWNWTKCJCKRSC-OLZOCXBDSA-N 1 0 234.343 2.257 10 0 BEAERO Cc1cnc(C[NH2+][C@H]2CCCC[C@H]2CO)s1 ZINC000274900470 389050178 /nfs/dbraw/zinc/05/01/78/389050178.db2.gz ICUPIVOHBGHWLC-QWRGUYRKSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000274326797 389045737 /nfs/dbraw/zinc/04/57/37/389045737.db2.gz AAIZHZBCYSWJTG-GVXVVHGQSA-N 1 0 220.316 2.218 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@H]2C)cc1Cl ZINC000035784969 132339590 /nfs/dbraw/zinc/33/95/90/132339590.db2.gz NMAJBBPAZUZNGD-SNVBAGLBSA-N 1 0 224.735 2.447 10 0 BEAERO Cc1ccc(C)c(N2CC[NH2+]C(C)(C)C2)c1 ZINC000041232125 132349747 /nfs/dbraw/zinc/34/97/47/132349747.db2.gz GVMFQNQGCNWNQG-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO C[NH2+]Cc1cccc(N2CCC(C)CC2)n1 ZINC000051399004 132360383 /nfs/dbraw/zinc/36/03/83/132360383.db2.gz KQRPPPKYCQVMRE-UHFFFAOYSA-N 1 0 219.332 2.037 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000084446587 322835154 /nfs/dbraw/zinc/83/51/54/322835154.db2.gz NCHPZZXNFVTJIM-LKSINWNRSA-N 1 0 219.328 2.417 10 0 BEAERO CC[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000084447279 322835455 /nfs/dbraw/zinc/83/54/55/322835455.db2.gz BAKLRYNOCJDAGL-UXUKBGGZSA-N 1 0 219.328 2.498 10 0 BEAERO [NH3+][C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000041030227 132223832 /nfs/dbraw/zinc/22/38/32/132223832.db2.gz ZLQFUKUHMQGREX-LBPRGKRZSA-N 1 0 227.311 2.162 10 0 BEAERO CC(C)c1cc(N2CCC[C@H](C)[C@H]2C[NH3+])ncn1 ZINC000070178410 132230399 /nfs/dbraw/zinc/23/03/99/132230399.db2.gz KYJGOJFKLOYINF-WCQYABFASA-N 1 0 248.374 2.164 10 0 BEAERO Cc1cc2ccoc2c(N2CC[NH2+]CC2)c1 ZINC000013741474 132244004 /nfs/dbraw/zinc/24/40/04/132244004.db2.gz RZCOVSSGXJLXPN-UHFFFAOYSA-N 1 0 216.284 2.151 10 0 BEAERO CCOc1cc[nH+]c(N2CCCCC2)c1 ZINC000019801130 132250172 /nfs/dbraw/zinc/25/01/72/132250172.db2.gz LOJDHQBSFKCWGX-UHFFFAOYSA-N 1 0 206.289 2.471 10 0 BEAERO Cc1cc(N2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000302232363 132262431 /nfs/dbraw/zinc/26/24/31/132262431.db2.gz YLSGOIJRVFOYCL-GHMZBOCLSA-N 1 0 206.289 2.004 10 0 BEAERO c1ccc2c(c1)NCCN2CC[NH+]1CCCC1 ZINC000020263262 132292932 /nfs/dbraw/zinc/29/29/32/132292932.db2.gz BQXIPNAPWFYRGE-UHFFFAOYSA-N 1 0 231.343 2.014 10 0 BEAERO c1ccc(N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000003634610 132308852 /nfs/dbraw/zinc/30/88/52/132308852.db2.gz HOUVRPYITOXIFB-UHFFFAOYSA-N 1 0 239.322 2.408 10 0 BEAERO C=C[n+]1ccc(N2CCC(C)CC2)cc1 ZINC000005307069 132308865 /nfs/dbraw/zinc/30/88/65/132308865.db2.gz NUTYTDFGROFPKA-UHFFFAOYSA-N 1 0 203.309 2.311 10 0 BEAERO Cc1cc(C)cc(N2CC[NH2+]C[C@H]2C)c1 ZINC000016945001 132323646 /nfs/dbraw/zinc/32/36/46/132323646.db2.gz BKTNMUSYYLCFSU-GFCCVEGCSA-N 1 0 204.317 2.102 10 0 BEAERO CC[C@@H]1CN(c2cccc(C)c2)CC[NH2+]1 ZINC000016944783 132323647 /nfs/dbraw/zinc/32/36/47/132323647.db2.gz MYEPDJAXCNFXHS-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO CCOc1ccccc1N1CC[NH2+][C@@H](CC)C1 ZINC000016944850 132323677 /nfs/dbraw/zinc/32/36/77/132323677.db2.gz IOJARFAVZRWDIX-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1cc(C)cc(C)c1 ZINC000016945146 132323697 /nfs/dbraw/zinc/32/36/97/132323697.db2.gz DSJIVYOTQACWLA-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CCc1ccccc1N1CC[NH2+][C@@H](CC)C1 ZINC000016944826 132323723 /nfs/dbraw/zinc/32/37/23/132323723.db2.gz ZNOMKNMKDZGWDF-ZDUSSCGKSA-N 1 0 218.344 2.437 10 0 BEAERO Cc1cc(C)cc(N2CC[NH2+]C[C@@H]2C)c1 ZINC000016945006 132323736 /nfs/dbraw/zinc/32/37/36/132323736.db2.gz BKTNMUSYYLCFSU-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO Nc1c[nH+]ccc1N1CCc2ccccc2C1 ZINC000019763633 132327010 /nfs/dbraw/zinc/32/70/10/132327010.db2.gz KVVJFPPUFLMQDI-UHFFFAOYSA-N 1 0 225.295 2.227 10 0 BEAERO C[C@@H]1CCCCN1c1ccccc1C(N)=[NH2+] ZINC000020075782 132329457 /nfs/dbraw/zinc/32/94/57/132329457.db2.gz REIWXBKIMKCKNO-SNVBAGLBSA-N 1 0 217.316 2.349 10 0 BEAERO C[C@H]([NH3+])c1c(F)cccc1N1CCSCC1 ZINC000020257406 132330407 /nfs/dbraw/zinc/33/04/07/132330407.db2.gz QGXYQRAWCOKZBG-VIFPVBQESA-N 1 0 240.347 2.399 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2ccc(C[NH3+])cn2)C1 ZINC000022223009 132332651 /nfs/dbraw/zinc/33/26/51/132332651.db2.gz RGZWMSXFYOCTOO-PHIMTYICSA-N 1 0 219.332 2.023 10 0 BEAERO COc1ccc2ccc(N3CC[NH2+]CC3)cc2c1 ZINC000027313663 132333876 /nfs/dbraw/zinc/33/38/76/132333876.db2.gz FRTFBUOBLXTGSL-UHFFFAOYSA-N 1 0 242.322 2.258 10 0 in-vivo BEAERO c1ccc(-c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000034152207 132336428 /nfs/dbraw/zinc/33/64/28/132336428.db2.gz XZGUHFQNSPUVGS-UHFFFAOYSA-N 1 0 239.322 2.158 10 0 BEAERO Cc1ccc(N)c(N2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000036250639 132341195 /nfs/dbraw/zinc/34/11/95/132341195.db2.gz ZLCNRMXDXUDTCA-AOOOYVTPSA-N 1 0 219.332 2.455 10 0 BEAERO Cc1[nH+]c(N2C[C@@H](C)C[C@H](C)C2)ccc1N ZINC000036250935 132341609 /nfs/dbraw/zinc/34/16/09/132341609.db2.gz KKUKOVFGWFRHJK-UWVGGRQHSA-N 1 0 219.332 2.455 10 0 BEAERO C[C@H](CN1c2ccccc2CC[C@@H]1C)C(N)=[NH2+] ZINC000036678054 132342354 /nfs/dbraw/zinc/34/23/54/132342354.db2.gz LFFHXJLKXHDHQB-MNOVXSKESA-N 1 0 231.343 2.400 10 0 BEAERO C[C@@H](C[NH3+])CN1CCCc2ccccc21 ZINC000036677474 132342367 /nfs/dbraw/zinc/34/23/67/132342367.db2.gz KTJUHTFTCJFVLK-NSHDSACASA-N 1 0 204.317 2.034 10 0 BEAERO Cc1ccc2c(c1)CCCN2C[C@@H](C)C[NH3+] ZINC000036986765 132343285 /nfs/dbraw/zinc/34/32/85/132343285.db2.gz AAMQVKSDIAETMO-LBPRGKRZSA-N 1 0 218.344 2.342 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090187 132343588 /nfs/dbraw/zinc/34/35/88/132343588.db2.gz RJRLQCAPMHLOHM-QWHCGFSZSA-N 1 0 248.374 2.080 10 0 BEAERO C[NH2+]C1CCN(c2ccc(C)cc2)CC1 ZINC000037242138 132343847 /nfs/dbraw/zinc/34/38/47/132343847.db2.gz ZUBQSMUNMYFQNK-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1cccc(N2CC[NH2+]C(C)(C)C2)c1C ZINC000041232132 132349715 /nfs/dbraw/zinc/34/97/15/132349715.db2.gz SYSIFHMDKIZVMK-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO CC1(C)CN(c2ccc(F)c(F)c2F)CC[NH2+]1 ZINC000041290163 132349914 /nfs/dbraw/zinc/34/99/14/132349914.db2.gz SVHKPNLGHZZDFG-UHFFFAOYSA-N 1 0 244.260 2.292 10 0 BEAERO CCO[C@@H]1CCCN(c2ccccc2C[NH2+]C)C1 ZINC000042424216 132351679 /nfs/dbraw/zinc/35/16/79/132351679.db2.gz GJWHBLTUCKRAAM-CQSZACIVSA-N 1 0 248.370 2.411 10 0 BEAERO FC(F)Sc1ccc(N2CC[NH2+]CC2)cc1 ZINC000043461273 132353061 /nfs/dbraw/zinc/35/30/61/132353061.db2.gz BZPNPXKGLRQOIF-UHFFFAOYSA-N 1 0 244.310 2.411 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2OC)[C@@H](C)C1 ZINC000049694244 132356658 /nfs/dbraw/zinc/35/66/58/132356658.db2.gz DEEBICOFUZVNQR-RYUDHWBXSA-N 1 0 234.343 2.272 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(F)c(F)c1F ZINC000049707800 132356890 /nfs/dbraw/zinc/35/68/90/132356890.db2.gz TVRQOMDZUIUQQO-HTQZYQBOSA-N 1 0 244.260 2.420 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1cc(F)ccc1F ZINC000049707928 132356937 /nfs/dbraw/zinc/35/69/37/132356937.db2.gz VRQXGAWWQWQAMY-PSASIEDQSA-N 1 0 226.270 2.281 10 0 BEAERO Cc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000049708863 132357183 /nfs/dbraw/zinc/35/71/83/132357183.db2.gz XRGIRHGRJAHJBX-WDEREUQCSA-N 1 0 222.307 2.450 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(F)cc1 ZINC000049708571 132357186 /nfs/dbraw/zinc/35/71/86/132357186.db2.gz HJEJGOHUQQHZGB-ONGXEEELSA-N 1 0 208.280 2.142 10 0 BEAERO Cc1cc(F)ccc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049708628 132357223 /nfs/dbraw/zinc/35/72/23/132357223.db2.gz CJPOVWZNYQMFJA-JQWIXIFHSA-N 1 0 222.307 2.450 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C[C@@H]1C ZINC000049708754 132357253 /nfs/dbraw/zinc/35/72/53/132357253.db2.gz MBSWXIYLFSSKBE-CABZTGNLSA-N 1 0 240.297 2.399 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(F)c(F)c1 ZINC000049708799 132357289 /nfs/dbraw/zinc/35/72/89/132357289.db2.gz NTBXQXCQOOBORR-RKDXNWHRSA-N 1 0 226.270 2.281 10 0 BEAERO Cc1cc(F)ccc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049708612 132357294 /nfs/dbraw/zinc/35/72/94/132357294.db2.gz CDTSHTOIAVOAER-ZYHUDNBSSA-N 1 0 222.307 2.308 10 0 BEAERO Cc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049709890 132357476 /nfs/dbraw/zinc/35/74/76/132357476.db2.gz KHSTUIVPCKBEDK-RYUDHWBXSA-N 1 0 204.317 2.311 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1cccc(F)c1F ZINC000049713155 132357911 /nfs/dbraw/zinc/35/79/11/132357911.db2.gz NTAKBWKHBVJJPM-BDAKNGLRSA-N 1 0 226.270 2.281 10 0 BEAERO COc1cc(F)ccc1N1CC[C@H]([NH3+])C[C@H]1C ZINC000049714389 132358148 /nfs/dbraw/zinc/35/81/48/132358148.db2.gz WLNBSUJHRLLZIZ-KOLCDFICSA-N 1 0 238.306 2.150 10 0 BEAERO CCOc1cccc(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049714315 132358152 /nfs/dbraw/zinc/35/81/52/132358152.db2.gz KQTYPQPOMNCLQS-RISCZKNCSA-N 1 0 234.343 2.259 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCC[C@H](C)[C@@H]2C)n1 ZINC000050562876 132359071 /nfs/dbraw/zinc/35/90/71/132359071.db2.gz SKWJAHVEORKBQL-JQWIXIFHSA-N 1 0 233.359 2.474 10 0 BEAERO CCc1cc(NC)nc(N2CCCCC2)[nH+]1 ZINC000050851007 132359559 /nfs/dbraw/zinc/35/95/59/132359559.db2.gz LUWIVVVSGKXJQU-UHFFFAOYSA-N 1 0 220.320 2.071 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCCC[C@H]2CCO)c1 ZINC000051578627 132361303 /nfs/dbraw/zinc/36/13/03/132361303.db2.gz QASUTORVQVWIAG-AWEZNQCLSA-N 1 0 248.370 2.195 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCOCC2(C)C)c1 ZINC000051579309 132361640 /nfs/dbraw/zinc/36/16/40/132361640.db2.gz RZXNYUYSPYSLSE-UHFFFAOYSA-N 1 0 234.343 2.069 10 0 BEAERO C[NH2+]Cc1cccc(N2CC[C@H](C)C[C@H]2C)n1 ZINC000051748715 132361826 /nfs/dbraw/zinc/36/18/26/132361826.db2.gz QJCNYVSDDAKGIA-NWDGAFQWSA-N 1 0 233.359 2.426 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000052274763 132362219 /nfs/dbraw/zinc/36/22/19/132362219.db2.gz ZLMOCIFNQXGZRH-YUSALJHKSA-N 1 0 230.311 2.092 10 0 BEAERO Cc1ccc(C)c(N2CCC[C@H]([NH3+])C2)c1 ZINC000053302957 132362993 /nfs/dbraw/zinc/36/29/93/132362993.db2.gz RBSAGXDWBYNQLI-LBPRGKRZSA-N 1 0 204.317 2.231 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1c1cc(C(C)C)ncn1 ZINC000053706825 132363333 /nfs/dbraw/zinc/36/33/33/132363333.db2.gz 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OWGDIIQFZOJFFN-RKDXNWHRSA-N 1 0 226.270 2.151 10 0 BEAERO C[C@H]1CN(c2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC000071560179 132394635 /nfs/dbraw/zinc/39/46/35/132394635.db2.gz HQTNSJKXIIGOQT-ZDUSSCGKSA-N 1 0 245.370 2.085 10 0 BEAERO CC[C@H]1CN(c2ccccc2)[C@H](C)C[NH2+]1 ZINC000083088768 132420157 /nfs/dbraw/zinc/42/01/57/132420157.db2.gz XQAXQDLUKXOXIK-NEPJUHHUSA-N 1 0 204.317 2.263 10 0 BEAERO CCOc1ccccc1N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000083361322 132423051 /nfs/dbraw/zinc/42/30/51/132423051.db2.gz KYKYZIHVGQBIMG-RYUDHWBXSA-N 1 0 234.343 2.272 10 0 BEAERO CC(C)[C@@H]1CN(c2cc(F)ccc2F)CC[NH2+]1 ZINC000083368280 132423684 /nfs/dbraw/zinc/42/36/84/132423684.db2.gz TUMFJSRDSBPWPI-LBPRGKRZSA-N 1 0 240.297 2.399 10 0 BEAERO C[C@@H]1CC[C@H]([NH+]2CCC(C)(CO)CC2)C1 ZINC000334243286 133592357 /nfs/dbraw/zinc/59/23/57/133592357.db2.gz RCBZRHUSWLUHFT-NEPJUHHUSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H](CC(=O)N[C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000252537887 133649700 /nfs/dbraw/zinc/64/97/00/133649700.db2.gz AFIRICFAAGSNPC-SDDRHHMPSA-N 1 0 240.391 2.315 10 0 BEAERO O[C@@H]([C@H]1CCC[N@@H+](C2CCC2)C1)C(F)(F)F ZINC000336215227 134136421 /nfs/dbraw/zinc/13/64/21/134136421.db2.gz MUULAJOEQHHKRI-WPRPVWTQSA-N 1 0 237.265 2.174 10 0 BEAERO C[C@H]1C[NH+](CCN(C)c2ccccc2)C[C@H](C)O1 ZINC000177225841 134296375 /nfs/dbraw/zinc/29/63/75/134296375.db2.gz XXWRXOFOYDZYFH-KBPBESRZSA-N 1 0 248.370 2.232 10 0 BEAERO c1cc(C[NH2+][C@@H]2CCc3ccccc32)on1 ZINC000220155340 134301226 /nfs/dbraw/zinc/30/12/26/134301226.db2.gz JRLGVQPFKORIQG-CYBMUJFWSA-N 1 0 214.268 2.452 10 0 BEAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000178992285 134314123 /nfs/dbraw/zinc/31/41/23/134314123.db2.gz RPEJNELJINODAR-CYBMUJFWSA-N 1 0 248.374 2.159 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCc2ccccn2)o1 ZINC000220882231 134316399 /nfs/dbraw/zinc/31/63/99/134316399.db2.gz UCWQLEZTQKMVLC-NSHDSACASA-N 1 0 231.299 2.271 10 0 BEAERO c1cc(CN2CCC[N@@H+](C3CC3)CC2)cs1 ZINC000179733271 134320625 /nfs/dbraw/zinc/32/06/25/134320625.db2.gz 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KMICONITKUEPCE-MGPQQGTHSA-N 1 0 223.360 2.483 10 0 BEAERO CCc1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000225377438 134354787 /nfs/dbraw/zinc/35/47/87/134354787.db2.gz ZWFUZXSYXHXZHY-AWEZNQCLSA-N 1 0 246.354 2.007 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000184586525 134363421 /nfs/dbraw/zinc/36/34/21/134363421.db2.gz FSKKGZWXTJOKMA-CMPLNLGQSA-N 1 0 248.374 2.361 10 0 BEAERO C[N@H+](CCCCCO)C[C@@H]1Cc2ccccc21 ZINC000227116537 134372805 /nfs/dbraw/zinc/37/28/05/134372805.db2.gz HWFHRUJFZLPSKS-AWEZNQCLSA-N 1 0 233.355 2.421 10 0 BEAERO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nnc(C)n1CC ZINC000185596221 134382404 /nfs/dbraw/zinc/38/24/04/134382404.db2.gz ADJGEMJDIICIKG-PWSUYJOCSA-N 1 0 236.363 2.227 10 0 BEAERO OCC[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000227569805 134383493 /nfs/dbraw/zinc/38/34/93/134383493.db2.gz XQRYQXRDMBDSIC-HNNXBMFYSA-N 1 0 233.355 2.324 10 0 BEAERO OCC[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000227569813 134383582 /nfs/dbraw/zinc/38/35/82/134383582.db2.gz 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ZKZJCZBFWGWMCE-AWEZNQCLSA-N 1 0 242.326 2.465 10 0 BEAERO CCC[C@H](C)C[NH2+]C[C@](C)(O)CSC ZINC000133270757 134677461 /nfs/dbraw/zinc/67/74/61/134677461.db2.gz NTMZVNWSUAMJDD-QWRGUYRKSA-N 1 0 219.394 2.126 10 0 BEAERO CCn1cnnc1C1CC[NH+](C2CCC2)CC1 ZINC000194491022 134825474 /nfs/dbraw/zinc/82/54/74/134825474.db2.gz JIHWVBHTPUDCBU-UHFFFAOYSA-N 1 0 234.347 2.030 10 0 BEAERO CCCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513212 134844350 /nfs/dbraw/zinc/84/43/50/134844350.db2.gz ZDBVVIFJCPLIEZ-UHFFFAOYSA-N 1 0 221.348 2.400 10 0 BEAERO C[C@@H](Nc1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000335007344 134845254 /nfs/dbraw/zinc/84/52/54/134845254.db2.gz BKAPZIHDBSVZHE-BDAKNGLRSA-N 1 0 226.270 2.375 10 0 BEAERO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c[nH]1 ZINC000245774272 134865465 /nfs/dbraw/zinc/86/54/65/134865465.db2.gz GXMHHDTXVTXYNV-JHJVBQTASA-N 1 0 232.327 2.062 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000246878771 134964191 /nfs/dbraw/zinc/96/41/91/134964191.db2.gz KBRINDQJFYOQSL-RMPHRYRLSA-N 1 0 209.333 2.188 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000248374033 135000168 /nfs/dbraw/zinc/00/01/68/135000168.db2.gz NLQAKCIFEWJBLK-JQWIXIFHSA-N 1 0 207.321 2.356 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccn1C ZINC000248401785 135006046 /nfs/dbraw/zinc/00/60/46/135006046.db2.gz SSYWWIFEDYSWOC-ZFWWWQNUSA-N 1 0 247.386 2.084 10 0 BEAERO C[C@H]1C[N@H+](CCC2OCCO2)[C@H]1c1ccccc1 ZINC000248632543 135017734 /nfs/dbraw/zinc/01/77/34/135017734.db2.gz SQJBTWIHSHUQSO-SWLSCSKDSA-N 1 0 247.338 2.442 10 0 BEAERO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2c2cnn(C)c2)O1 ZINC000248883213 135025103 /nfs/dbraw/zinc/02/51/03/135025103.db2.gz GRUVHJDPCXUKDL-BNOWGMLFSA-N 1 0 249.358 2.125 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H](O)CC1CCCC1 ZINC000249073807 135032172 /nfs/dbraw/zinc/03/21/72/135032172.db2.gz LJBNTCRSOSAWHN-BZPMIXESSA-N 1 0 241.375 2.037 10 0 BEAERO c1ncn(C2CC[NH+]([C@@H]3C=CCCC3)CC2)n1 ZINC000076669393 135045081 /nfs/dbraw/zinc/04/50/81/135045081.db2.gz DNJVGYWAJJRGDM-GFCCVEGCSA-N 1 0 232.331 2.024 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000250778350 135058977 /nfs/dbraw/zinc/05/89/77/135058977.db2.gz VYFGADZHAAAVGI-KBPBESRZSA-N 1 0 233.359 2.072 10 0 BEAERO CC[C@H](C)CN(CC)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251840786 135078840 /nfs/dbraw/zinc/07/88/40/135078840.db2.gz LKRKZCQISBHMGL-QJPTWQEYSA-N 1 0 226.364 2.008 10 0 BEAERO CCCCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246764981 135083318 /nfs/dbraw/zinc/08/33/18/135083318.db2.gz UINDLKHKOGOFOF-CHWSQXEVSA-N 1 0 210.365 2.345 10 0 BEAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000252711523 135099740 /nfs/dbraw/zinc/09/97/40/135099740.db2.gz JUMCKPLGWMCWGQ-MROQNXINSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cncs1 ZINC000252714782 135101337 /nfs/dbraw/zinc/10/13/37/135101337.db2.gz SXAVDJHHKJCBGH-GARJFASQSA-N 1 0 240.372 2.345 10 0 BEAERO CC(C)C[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086930758 135102216 /nfs/dbraw/zinc/10/22/16/135102216.db2.gz DBORZPJGDZDIOJ-CHWSQXEVSA-N 1 0 210.365 2.201 10 0 BEAERO CC[C@@H]1C[N@@H+]([C@H]2CCCC[C@H]2O)CCS1 ZINC000252725901 135102344 /nfs/dbraw/zinc/10/23/44/135102344.db2.gz HFOYGAJYCBBSBX-GRYCIOLGSA-N 1 0 229.389 2.117 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2O)C[C@H]1C ZINC000252727674 135102754 /nfs/dbraw/zinc/10/27/54/135102754.db2.gz MDDSDZKSOPOQIM-LPWJVIDDSA-N 1 0 211.349 2.268 10 0 BEAERO C1OCC1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000087194764 135111035 /nfs/dbraw/zinc/11/10/35/135111035.db2.gz PZGKUEKQUDFGAE-QJPTWQEYSA-N 1 0 209.333 2.334 10 0 BEAERO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253088526 135120078 /nfs/dbraw/zinc/12/00/78/135120078.db2.gz FKZKMIAMKZYGPU-JHJVBQTASA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000253194771 135123822 /nfs/dbraw/zinc/12/38/22/135123822.db2.gz QOGFWWANQHJVHJ-RTXFEEFZSA-N 1 0 211.349 2.436 10 0 BEAERO CCOC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000253206335 135124546 /nfs/dbraw/zinc/12/45/46/135124546.db2.gz GHZTUFJFKORUPR-QJPTWQEYSA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)CC[C@H]1O ZINC000253236182 135124797 /nfs/dbraw/zinc/12/47/97/135124797.db2.gz DYBHPPXEOJWDLA-OSAQELSMSA-N 1 0 231.339 2.029 10 0 BEAERO Cc1nc(N[C@@H](C)CCC[NH3+])sc1C ZINC000087362257 135126577 /nfs/dbraw/zinc/12/65/77/135126577.db2.gz KEDMMYUFDDBWTG-ZETCQYMHSA-N 1 0 213.350 2.299 10 0 BEAERO COc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000258925379 135135418 /nfs/dbraw/zinc/13/54/18/135135418.db2.gz WXCCQSFEQLNDHS-AWEZNQCLSA-N 1 0 248.370 2.254 10 0 BEAERO CC1(C)CN(C(=O)CC2CCCC2)CC[C@H]1[NH3+] ZINC000259189649 135137868 /nfs/dbraw/zinc/13/78/68/135137868.db2.gz ZNYKXQZVZRZRQR-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](CN)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000261527304 135151155 /nfs/dbraw/zinc/15/11/55/135151155.db2.gz PTSBPYQEFLUMPQ-NXEZZACHSA-N 1 0 220.307 2.091 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000261533097 135163844 /nfs/dbraw/zinc/16/38/44/135163844.db2.gz POCLCQHUOQZLOT-MNOVXSKESA-N 1 0 232.318 2.106 10 0 BEAERO C[C@H]1CCN(c2ncccc2Cl)[C@H](C[NH3+])C1 ZINC000261533059 135164065 /nfs/dbraw/zinc/16/40/65/135164065.db2.gz GMAHZGNRLAGZLQ-UWVGGRQHSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1CCN(c2ncccc2Cl)[C@H](C[NH3+])C1 ZINC000261533060 135164346 /nfs/dbraw/zinc/16/43/46/135164346.db2.gz GMAHZGNRLAGZLQ-ZJUUUORDSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1C[NH2+]CCN1C[C@@H]1CCCC(F)(F)C1 ZINC000261533088 135164547 /nfs/dbraw/zinc/16/45/47/135164547.db2.gz MCVXOAYSZMDWRJ-GHMZBOCLSA-N 1 0 232.318 2.106 10 0 BEAERO FC1(F)CCC[C@@H](CN2CCC[NH2+]CC2)C1 ZINC000261533076 135164576 /nfs/dbraw/zinc/16/45/76/135164576.db2.gz GJKDQGRYZRRXAW-LLVKDONJSA-N 1 0 232.318 2.107 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1nc(C)cnc1C ZINC000087780135 135168311 /nfs/dbraw/zinc/16/83/11/135168311.db2.gz WCMDNYTUJIZGDF-LLVKDONJSA-N 1 0 222.336 2.023 10 0 BEAERO C[C@H]1CCN(c2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000261535228 135168819 /nfs/dbraw/zinc/16/88/19/135168819.db2.gz WYPIWEDDNMVFMC-ONGXEEELSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)[C@@H](C)C[NH2+]1 ZINC000261538128 135175213 /nfs/dbraw/zinc/17/52/13/135175213.db2.gz DWHBNAXRMWENGC-WOPDTQHZSA-N 1 0 246.345 2.494 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)[C@H](C)C[NH2+]1 ZINC000261538126 135175276 /nfs/dbraw/zinc/17/52/76/135175276.db2.gz DWHBNAXRMWENGC-IJLUTSLNSA-N 1 0 246.345 2.494 10 0 BEAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000261543659 135184565 /nfs/dbraw/zinc/18/45/65/135184565.db2.gz DDPCMJAFYJYABG-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@H](N[C@H](C)[C@H](C)[NH3+])c1ccccc1OC ZINC000261554910 135194335 /nfs/dbraw/zinc/19/43/35/135194335.db2.gz PJYPOBKNDIFTPW-LOWVWBTDSA-N 1 0 236.359 2.472 10 0 BEAERO CCC(CC)(CC)CN(C)[C@@H]1CC[NH2+]C1 ZINC000261556530 135196754 /nfs/dbraw/zinc/19/67/54/135196754.db2.gz WAGZVMYFILLEJF-GFCCVEGCSA-N 1 0 212.381 2.497 10 0 BEAERO C[C@H](C(=O)NC1CCCCCCC1)C1C[NH2+]C1 ZINC000163818376 135207795 /nfs/dbraw/zinc/20/77/95/135207795.db2.gz FDIPMIVBQPFGJY-NSHDSACASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nccc(C(C)(C)C)n1 ZINC000261573859 135216074 /nfs/dbraw/zinc/21/60/74/135216074.db2.gz MMZSIGXFNUURDI-QWRGUYRKSA-N 1 0 248.374 2.327 10 0 BEAERO C[C@@H](C[S@](C)=O)[NH2+]CC1CCC(C)CC1 ZINC000164292850 135218416 /nfs/dbraw/zinc/21/84/16/135218416.db2.gz YPDDQYYSYWGIOD-NMADNCOTSA-N 1 0 231.405 2.169 10 0 BEAERO C[C@@H](CC(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000261580306 135221362 /nfs/dbraw/zinc/22/13/62/135221362.db2.gz MXQDLBPHZHXGPA-HBNTYKKESA-N 1 0 226.364 2.007 10 0 BEAERO CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261807717 135254199 /nfs/dbraw/zinc/25/41/99/135254199.db2.gz NDARFINENFZBHI-HKUMRIAESA-N 1 0 238.375 2.008 10 0 BEAERO Cc1cc([C@@H](C)NC(=O)C[C@H](C)[NH3+])ccc1F ZINC000261867823 135258311 /nfs/dbraw/zinc/25/83/11/135258311.db2.gz QICLDPADBLEKHT-VHSXEESVSA-N 1 0 238.306 2.049 10 0 BEAERO CCC(C)(C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261947365 135265022 /nfs/dbraw/zinc/26/50/22/135265022.db2.gz YNPGNFLJEDZUJT-LLVKDONJSA-N 1 0 240.391 2.399 10 0 BEAERO CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261959101 135266131 /nfs/dbraw/zinc/26/61/31/135266131.db2.gz KSIIPWQUJDZSJT-JTNHKYCSSA-N 1 0 238.375 2.008 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262584979 135307385 /nfs/dbraw/zinc/30/73/85/135307385.db2.gz SCTBBQCGDMDARB-VXGBXAGGSA-N 1 0 238.375 2.153 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000262584975 135307444 /nfs/dbraw/zinc/30/74/44/135307444.db2.gz SCTBBQCGDMDARB-RYUDHWBXSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CC1CCC1 ZINC000079757480 135355966 /nfs/dbraw/zinc/35/59/66/135355966.db2.gz HNSDIVQRRWYJEB-CYBMUJFWSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000081002085 135385929 /nfs/dbraw/zinc/38/59/29/135385929.db2.gz CXUVBIUEQQTMME-WCQYABFASA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]CCSCCCO)C1 ZINC000164523271 135389249 /nfs/dbraw/zinc/38/92/49/135389249.db2.gz GLYRCHQOCIWUKE-VXGBXAGGSA-N 1 0 231.405 2.270 10 0 BEAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000078005555 135392710 /nfs/dbraw/zinc/39/27/10/135392710.db2.gz CGMWDRFFZXOCHO-YNEHKIRRSA-N 1 0 240.391 2.460 10 0 BEAERO Cc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085357667 135482358 /nfs/dbraw/zinc/48/23/58/135482358.db2.gz OUQURQNFDJJXIR-UONOGXRCSA-N 1 0 246.354 2.081 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000085356700 135482380 /nfs/dbraw/zinc/48/23/80/135482380.db2.gz DOEXPJHSIPZEJN-RYUDHWBXSA-N 1 0 232.327 2.369 10 0 BEAERO CCC(CC)CN(CC)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085358960 135483145 /nfs/dbraw/zinc/48/31/45/135483145.db2.gz KIBLBLSQTIFTMG-CHWSQXEVSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449576 135535226 /nfs/dbraw/zinc/53/52/26/135535226.db2.gz FEJUIPRXLUDKIR-LPWJVIDDSA-N 1 0 238.375 2.056 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000090227559 135548372 /nfs/dbraw/zinc/54/83/72/135548372.db2.gz WHVBQFHPMVYXSY-LBPRGKRZSA-N 1 0 246.358 2.200 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H](C)[C@H]1C ZINC000094648097 135616183 /nfs/dbraw/zinc/61/61/83/135616183.db2.gz GXDKXZQXFYQKCT-UMSGYPCISA-N 1 0 238.375 2.022 10 0 BEAERO Cc1nc2ccccc2nc1N[C@H](C)CCC[NH3+] ZINC000094948063 135622454 /nfs/dbraw/zinc/62/24/54/135622454.db2.gz MDUBDSMSJQXJMU-SNVBAGLBSA-N 1 0 244.342 2.478 10 0 BEAERO CC(C)CCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000232535293 135662619 /nfs/dbraw/zinc/66/26/19/135662619.db2.gz ATTQLLAOYORWSY-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1CC1CC(F)(F)C1 ZINC000334792138 135814259 /nfs/dbraw/zinc/81/42/59/135814259.db2.gz QJSFWKJCRXRTHO-DTORHVGOSA-N 1 0 219.275 2.141 10 0 BEAERO Cc1cscc1NC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000334856047 135824783 /nfs/dbraw/zinc/82/47/83/135824783.db2.gz VTCSEGHVNDPZED-BDAKNGLRSA-N 1 0 239.344 2.010 10 0 BEAERO Cc1ccc2oc(N3CC[C@@H]([NH3+])[C@@H](C)C3)nc2c1 ZINC000335294159 136005439 /nfs/dbraw/zinc/00/54/39/136005439.db2.gz AJUXJSGWRLLKGW-WDEREUQCSA-N 1 0 245.326 2.310 10 0 BEAERO Cc1cnc([C@@H](C)NCC[NH+]2CCCCC2)o1 ZINC000348360269 136072902 /nfs/dbraw/zinc/07/29/02/136072902.db2.gz PRIYQHRMPXMUQB-GFCCVEGCSA-N 1 0 237.347 2.120 10 0 BEAERO Fc1ccc(CC[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000061980049 1172723784 /nfs/dbraw/zinc/72/37/84/1172723784.db2.gz PISKELXEYGULST-AWEZNQCLSA-N 1 0 248.345 2.195 10 0 BEAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000105919925 397786260 /nfs/dbraw/zinc/78/62/60/397786260.db2.gz WMNDIKJENGNMGC-ZDUSSCGKSA-N 1 0 236.363 2.015 10 0 BEAERO Cc1ccoc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000164623230 397794980 /nfs/dbraw/zinc/79/49/80/397794980.db2.gz MZCHSZXNHIHNNQ-RYUDHWBXSA-N 1 0 223.316 2.229 10 0 BEAERO F[C@@H](c1ccns1)[C@@H]1CCC[NH2+]C1 ZINC000306883693 397935872 /nfs/dbraw/zinc/93/58/72/397935872.db2.gz KRUNZPJUGHYING-VXNVDRBHSA-N 1 0 200.282 2.153 10 0 BEAERO [NH3+][C@]1(c2cscn2)CCCSCC1 ZINC000575460612 397944418 /nfs/dbraw/zinc/94/44/18/397944418.db2.gz HYHSCUUOAAKQAZ-SECBINFHSA-N 1 0 214.359 2.214 10 0 BEAERO Cc1ncc([C@@]2([NH3+])CCCSC2)s1 ZINC000575463838 397946909 /nfs/dbraw/zinc/94/69/09/397946909.db2.gz BHLJJSKZMPMGPP-SECBINFHSA-N 1 0 214.359 2.133 10 0 BEAERO Cc1c[nH+]ccc1-n1ccc(Br)n1 ZINC000306945773 397960517 /nfs/dbraw/zinc/96/05/17/397960517.db2.gz LJJILRQZBJCGLU-UHFFFAOYSA-N 1 0 238.088 2.338 10 0 BEAERO C#C[C@]1(O)CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000206489803 397922037 /nfs/dbraw/zinc/92/20/37/397922037.db2.gz DERKTTBDJVCMFS-GJZGRUSLSA-N 1 0 229.323 2.083 10 0 BEAERO CCOC(=O)[C@@H]1CCCCC[N@@H+]1C(C)C ZINC000259719066 397994124 /nfs/dbraw/zinc/99/41/24/397994124.db2.gz MTQLUJPXUJJUPV-NSHDSACASA-N 1 0 213.321 2.203 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000383266765 398012925 /nfs/dbraw/zinc/01/29/25/398012925.db2.gz ITWAJVFJHXSFKS-QWHCGFSZSA-N 1 0 240.391 2.256 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000037765413 398023129 /nfs/dbraw/zinc/02/31/29/398023129.db2.gz ITFRPVOKVAOERY-WCQYABFASA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@@H](NC(=O)[C@@H](C)[NH2+]C)c1ccc(C)cc1 ZINC000054073810 398025362 /nfs/dbraw/zinc/02/53/62/398025362.db2.gz SCRHVSNQQYYRNA-DGCLKSJQSA-N 1 0 234.343 2.170 10 0 BEAERO Fc1ccc2c(c1)[C@H]([NH2+]CC1CC1)CN2 ZINC000211929504 398050679 /nfs/dbraw/zinc/05/06/79/398050679.db2.gz LZHAJMFUXAYGBP-GFCCVEGCSA-N 1 0 206.264 2.292 10 0 BEAERO C[C@@H]1C[C@](F)(c2cncs2)CC[NH2+]1 ZINC000575518859 397975760 /nfs/dbraw/zinc/97/57/60/397975760.db2.gz XAPQEXHGWQGVEV-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO Cc1ccc(F)c([C@@H](N)CC[NH3+])c1Cl ZINC000307087831 397978822 /nfs/dbraw/zinc/97/88/22/397978822.db2.gz LSEXUWQPQPILKW-QMMMGPOBSA-N 1 0 216.687 2.136 10 0 BEAERO Cc1cc(C(=O)[C@H]2CCC[C@@H]2C[NH3+])sn1 ZINC000307118189 397980093 /nfs/dbraw/zinc/98/00/93/397980093.db2.gz WJYLAQLRCLYEME-BDAKNGLRSA-N 1 0 224.329 2.009 10 0 BEAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595285422 397987434 /nfs/dbraw/zinc/98/74/34/397987434.db2.gz XVPXUANZOUQYOS-RNJOBUHISA-N 1 0 237.343 2.060 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCSC ZINC000245414869 398115466 /nfs/dbraw/zinc/11/54/66/398115466.db2.gz CSEUYIWAEQJIQJ-STQMWFEESA-N 1 0 242.432 2.298 10 0 BEAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)[C@@H]1CCCO1 ZINC000188781063 398130168 /nfs/dbraw/zinc/13/01/68/398130168.db2.gz CKQZXRSNMMWANF-MJBXVCDLSA-N 1 0 239.359 2.199 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000292111316 398132259 /nfs/dbraw/zinc/13/22/59/398132259.db2.gz GXWTYHPMJMZQCU-PSASIEDQSA-N 1 0 226.707 2.002 10 0 BEAERO CC(C)C[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000035159851 167002353 /nfs/dbraw/zinc/00/23/53/167002353.db2.gz LEAGNSUNIKUNIH-UHFFFAOYSA-N 1 0 242.269 2.149 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000336653180 167027039 /nfs/dbraw/zinc/02/70/39/167027039.db2.gz GAGYLENCSHCRIL-MRTXSQPYSA-N 1 0 224.392 2.349 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccccn2)C1 ZINC000129806149 167030155 /nfs/dbraw/zinc/03/01/55/167030155.db2.gz IJHJWAWLBHONKL-NEPJUHHUSA-N 1 0 219.332 2.222 10 0 BEAERO C[C@H](CCC1CC1)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000398137593 322865339 /nfs/dbraw/zinc/86/53/39/322865339.db2.gz NBMDRJFHXLEQFN-MDZLAQPJSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)NC(=O)[C@@H](CCC[NH3+])c1cccs1 ZINC000076622295 167082026 /nfs/dbraw/zinc/08/20/26/167082026.db2.gz VRAZPVMGSHYCNC-JTQLQIEISA-N 1 0 240.372 2.095 10 0 BEAERO CC(C)[NH2+]C[C@]1(CCOC(C)C)CCOC1 ZINC000054665053 167117598 /nfs/dbraw/zinc/11/75/98/167117598.db2.gz RNQCDJILOGAHRP-CYBMUJFWSA-N 1 0 229.364 2.206 10 0 BEAERO [NH3+]C1CCC(Nc2ncnc3c2CCCC3)CC1 ZINC000094871768 487560837 /nfs/dbraw/zinc/56/08/37/487560837.db2.gz AFUQJSFQYHWKJW-UHFFFAOYSA-N 1 0 246.358 2.037 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ncnc2ccccc21 ZINC000094948149 487565275 /nfs/dbraw/zinc/56/52/75/487565275.db2.gz ZFFZGWCZTKRHCJ-SNVBAGLBSA-N 1 0 230.315 2.169 10 0 BEAERO C[C@H](c1cccs1)[N@@H+]1CCC[C@@H]1CO ZINC000074147803 177048407 /nfs/dbraw/zinc/04/84/07/177048407.db2.gz FOSBXQVJASKAAC-NXEZZACHSA-N 1 0 211.330 2.266 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000308882145 487572039 /nfs/dbraw/zinc/57/20/39/487572039.db2.gz QQLFYTWZYCGSLJ-IJLUTSLNSA-N 1 0 209.333 2.212 10 0 BEAERO C[C@@H](CO)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000120765111 490068413 /nfs/dbraw/zinc/06/84/13/490068413.db2.gz HDAOWXBDVBECQY-GHMZBOCLSA-N 1 0 240.372 2.299 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000086907915 487585109 /nfs/dbraw/zinc/58/51/09/487585109.db2.gz ZHFPQDWWGWJGEF-JHJVBQTASA-N 1 0 238.375 2.214 10 0 BEAERO OCC1CC([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000658350053 487590507 /nfs/dbraw/zinc/59/05/07/487590507.db2.gz ADLBFIKCFNYSOH-FDZGAKKTSA-N 1 0 235.302 2.174 10 0 BEAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000370417013 167269896 /nfs/dbraw/zinc/26/98/96/167269896.db2.gz VYXBAOQOFSZMOP-MJBXVCDLSA-N 1 0 241.375 2.037 10 0 BEAERO C[C@H]1CC[C@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000536955704 487604178 /nfs/dbraw/zinc/60/41/78/487604178.db2.gz RZCAQRCNUUELKD-GXTWGEPZSA-N 1 0 219.328 2.327 10 0 BEAERO Cc1nc2cc(NC(=O)C[NH2+]C(C)C)ccc2o1 ZINC000040832732 487606479 /nfs/dbraw/zinc/60/64/79/487606479.db2.gz WMEPHGLQQJENHC-UHFFFAOYSA-N 1 0 247.298 2.073 10 0 BEAERO CCc1nnc(C[NH2+]C2(C3CCC3)CCC2)o1 ZINC000556783784 322923859 /nfs/dbraw/zinc/92/38/59/322923859.db2.gz CKHPPEWOTCMNHG-UHFFFAOYSA-N 1 0 235.331 2.444 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000662627518 409802015 /nfs/dbraw/zinc/80/20/15/409802015.db2.gz ZUNVTJBMKZELLV-QWRGUYRKSA-N 1 0 228.380 2.301 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000662627520 409802346 /nfs/dbraw/zinc/80/23/46/409802346.db2.gz ZUNVTJBMKZELLV-WDEREUQCSA-N 1 0 228.380 2.301 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000308946170 409966943 /nfs/dbraw/zinc/96/69/43/409966943.db2.gz WFXIMQAVEXQWHZ-UPJWGTAASA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@]1(CO)CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000558118151 409994266 /nfs/dbraw/zinc/99/42/66/409994266.db2.gz BHVRMZVHMVNMAT-ZFWWWQNUSA-N 1 0 231.339 2.173 10 0 BEAERO Brc1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000084193095 166097169 /nfs/dbraw/zinc/09/71/69/166097169.db2.gz PXDLICYHRQUBJE-JTQLQIEISA-N 1 0 241.132 2.223 10 0 BEAERO Brc1ccc([C@@H]2C[NH2+]CO2)cc1 ZINC000071533576 166099061 /nfs/dbraw/zinc/09/90/61/166099061.db2.gz AFQOOQJEIISINR-VIFPVBQESA-N 1 0 228.089 2.068 10 0 BEAERO Brc1ccc([C@H]2COCCN2)s1 ZINC000041300294 166099811 /nfs/dbraw/zinc/09/98/11/166099811.db2.gz ZREBUDRRNSWOJT-ZCFIWIBFSA-N 1 0 248.145 2.172 10 0 BEAERO Brc1ccc([C@@H]2[NH2+]CCO2)cc1 ZINC000034469647 166099862 /nfs/dbraw/zinc/09/98/62/166099862.db2.gz ZZBVKILSICMDOH-SECBINFHSA-N 1 0 228.089 2.068 10 0 BEAERO Brc1cccc([C@]23C[C@H]2C[NH2+]C3)c1 ZINC000082329789 166101033 /nfs/dbraw/zinc/10/10/33/166101033.db2.gz SGZGYHORYYBOLQ-GXSJLCMTSA-N 1 0 238.128 2.310 10 0 BEAERO Brc1ccoc1[C@@H]1CC[NH2+]C1 ZINC000082370077 166103058 /nfs/dbraw/zinc/10/30/58/166103058.db2.gz WQCOHQOKUDNQMG-ZCFIWIBFSA-N 1 0 216.078 2.119 10 0 BEAERO Brc1ccnc(C2CC[NH2+]CC2)c1 ZINC000096893772 166103456 /nfs/dbraw/zinc/10/34/56/166103456.db2.gz OLDHZQQOCYDAPI-UHFFFAOYSA-N 1 0 241.132 2.311 10 0 BEAERO CCCc1nccnc1N[C@H]1CCC[N@H+](CC)C1 ZINC000663414661 410200628 /nfs/dbraw/zinc/20/06/28/410200628.db2.gz HWDLYYWDDDBBSE-LBPRGKRZSA-N 1 0 248.374 2.325 10 0 BEAERO Brc1occc1[C@@H]1CC[NH2+]C1 ZINC000082370073 166109110 /nfs/dbraw/zinc/10/91/10/166109110.db2.gz JUQFRIJUSCHYSF-ZCFIWIBFSA-N 1 0 216.078 2.119 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccsc1 ZINC000128915874 410365198 /nfs/dbraw/zinc/36/51/98/410365198.db2.gz JAZAMRNNYDDMAM-LLVKDONJSA-N 1 0 240.372 2.080 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000128895079 410365421 /nfs/dbraw/zinc/36/54/21/410365421.db2.gz KGIKQETVGXBAPL-NEPJUHHUSA-N 1 0 226.364 2.151 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CC1CCCC1 ZINC000129063827 410368207 /nfs/dbraw/zinc/36/82/07/410368207.db2.gz XCFAIIOOLHCMSY-LBPRGKRZSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H](O)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000133577341 410451473 /nfs/dbraw/zinc/45/14/73/410451473.db2.gz AKOZLIVKNJRVOX-SNVBAGLBSA-N 1 0 227.735 2.243 10 0 BEAERO C[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000225519732 487616497 /nfs/dbraw/zinc/61/64/97/487616497.db2.gz JHYNHAIQTDKNPB-CYDGBPFRSA-N 1 0 238.375 2.151 10 0 BEAERO CCN(CC)C(=O)[C@H](CC[NH3+])c1cccs1 ZINC000076622283 169758338 /nfs/dbraw/zinc/75/83/38/169758338.db2.gz SQLKOQCTGCMKNO-SNVBAGLBSA-N 1 0 240.372 2.049 10 0 BEAERO CC(C)C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000307847547 410664308 /nfs/dbraw/zinc/66/43/08/410664308.db2.gz VIBDQVXLFWBYHW-STQMWFEESA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)(C)CNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055136820 166584096 /nfs/dbraw/zinc/58/40/96/166584096.db2.gz KUWDSJPTYALXBF-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)(C)[NH2+]CCc1nc(-c2ccncc2)c[nH]1 ZINC000037635034 166632300 /nfs/dbraw/zinc/63/23/00/166632300.db2.gz YCAUSBHHBOVFOL-UHFFFAOYSA-N 1 0 244.342 2.402 10 0 BEAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COCC2CC2)O1 ZINC000052642889 166633936 /nfs/dbraw/zinc/63/39/36/166633936.db2.gz ZCWJTDTWKJMPRT-QWHCGFSZSA-N 1 0 241.375 2.349 10 0 BEAERO CC(C)C1(C[NH2+]CC2CCOCC2)CC1 ZINC000119134305 166745733 /nfs/dbraw/zinc/74/57/33/166745733.db2.gz BORYJAMZKASRBA-UHFFFAOYSA-N 1 0 211.349 2.439 10 0 BEAERO C[NH2+][C@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000394512566 410805088 /nfs/dbraw/zinc/80/50/88/410805088.db2.gz OXTMPAMNCWSEQY-RYUDHWBXSA-N 1 0 246.345 2.496 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000651199213 410860268 /nfs/dbraw/zinc/86/02/68/410860268.db2.gz FNLLOVMQIMHRJL-MCIONIFRSA-N 1 0 223.360 2.458 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1Cl ZINC000040853887 410893184 /nfs/dbraw/zinc/89/31/84/410893184.db2.gz MSRSRTCOUDKJEE-GZMMTYOYSA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)C1CC1 ZINC000396654766 410894181 /nfs/dbraw/zinc/89/41/81/410894181.db2.gz FNPKIMXVFVSYEY-RTXFEEFZSA-N 1 0 210.365 2.151 10 0 BEAERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCN[C@H]1C ZINC000396640912 410894685 /nfs/dbraw/zinc/89/46/85/410894685.db2.gz MVHRREMUPQUICM-NTZNESFSSA-N 1 0 238.400 2.409 10 0 BEAERO CC(C)C[NH2+]C[C@H]1CCN(Cc2cccnc2)C1 ZINC000053013044 167008068 /nfs/dbraw/zinc/00/80/68/167008068.db2.gz PDDGJLVCAPXPEA-OAHLLOKOSA-N 1 0 247.386 2.149 10 0 BEAERO CC(C)C[NH2+]Cc1coc(Cn2ccnc2)c1 ZINC000052575451 167010263 /nfs/dbraw/zinc/01/02/63/167010263.db2.gz GJDXOKUUCLHLNI-UHFFFAOYSA-N 1 0 233.315 2.270 10 0 BEAERO CC(C)C[NH2+][C@@H]1CCCN(C(C)(C)C)C1 ZINC000073653472 167011478 /nfs/dbraw/zinc/01/14/78/167011478.db2.gz HGBYUTGBCJBIAV-GFCCVEGCSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)N1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059485 167026784 /nfs/dbraw/zinc/02/67/84/167026784.db2.gz JDHNOHXNGHXZIJ-UHFFFAOYSA-N 1 0 239.388 2.103 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000151854165 167028024 /nfs/dbraw/zinc/02/80/24/167028024.db2.gz VMCCPKGBKCRJMM-IPYPFGDCSA-N 1 0 247.386 2.461 10 0 BEAERO CC(C)N1C[C@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000309687523 167032658 /nfs/dbraw/zinc/03/26/58/167032658.db2.gz OOQDWSHQSRQGRY-AAEUAGOBSA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)[N@H+]1C[C@H](Nc2ccccn2)[C@@H](C)C1 ZINC000129806374 167033335 /nfs/dbraw/zinc/03/33/35/167033335.db2.gz IJHJWAWLBHONKL-RYUDHWBXSA-N 1 0 219.332 2.222 10 0 BEAERO CC(C)NC(=O)CC[N@H+](C(C)C)C1CCC1 ZINC000119731106 167038326 /nfs/dbraw/zinc/03/83/26/167038326.db2.gz KFMNGRHPPVDJEX-UHFFFAOYSA-N 1 0 226.364 2.164 10 0 BEAERO CCN(CC)CC[NH2+]CCO[C@@H](C)CC(C)C ZINC000053558827 169779932 /nfs/dbraw/zinc/77/99/32/169779932.db2.gz MZLVIMHCZWDHAF-AWEZNQCLSA-N 1 0 244.423 2.369 10 0 BEAERO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000020209379 167077643 /nfs/dbraw/zinc/07/76/43/167077643.db2.gz VYDLFETZHKKKDO-SECBINFHSA-N 1 0 221.304 2.236 10 0 BEAERO CC(C)NC(=O)[C@@H](CCC[NH3+])C1CCCCC1 ZINC000076622478 167080752 /nfs/dbraw/zinc/08/07/52/167080752.db2.gz OOJZYFNEJSNPQD-ZDUSSCGKSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)[NH2+]CCN(C)CCc1ccc(F)cc1 ZINC000181269496 167102924 /nfs/dbraw/zinc/10/29/24/167102924.db2.gz ILLAOGVKURRPNW-UHFFFAOYSA-N 1 0 238.350 2.298 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000309637129 167104539 /nfs/dbraw/zinc/10/45/39/167104539.db2.gz SYNKHLGBIOLEFL-ZIAGYGMSSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[NH2+]CC[C@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543649 167109289 /nfs/dbraw/zinc/10/92/89/167109289.db2.gz IWSZAHPDIYFPGK-QWHCGFSZSA-N 1 0 242.407 2.262 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)c1cc(Cl)cs1 ZINC000033829479 167110877 /nfs/dbraw/zinc/11/08/77/167110877.db2.gz YGOWRPCBESCQEU-MRVPVSSYSA-N 1 0 219.737 2.433 10 0 BEAERO CC(C)[NH2+]C[C@@H](C)CN(C)Cc1ccccn1 ZINC000052478769 167111660 /nfs/dbraw/zinc/11/16/60/167111660.db2.gz ZAHGVEUDOJNEFI-CYBMUJFWSA-N 1 0 235.375 2.148 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCN1c1ncccc1F ZINC000054701280 167113491 /nfs/dbraw/zinc/11/34/91/167113491.db2.gz IPBSTEHTIXAIMI-NSHDSACASA-N 1 0 237.322 2.188 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCN1c1ccccn1 ZINC000053694006 167113995 /nfs/dbraw/zinc/11/39/95/167113995.db2.gz PAZLHKQQLIPODS-LBPRGKRZSA-N 1 0 219.332 2.048 10 0 BEAERO CC(C)[NH2+]C[C@H](C)n1cc(Cl)cn1 ZINC000052577314 167114050 /nfs/dbraw/zinc/11/40/50/167114050.db2.gz BNGJQGMJKDDAJH-QMMMGPOBSA-N 1 0 201.701 2.096 10 0 BEAERO CC(C)[NH2+]Cc1cc(N2CC[C@H](C)C2)ccn1 ZINC000051448411 167116427 /nfs/dbraw/zinc/11/64/27/167116427.db2.gz JMCMWXZSVNJQCF-LBPRGKRZSA-N 1 0 233.359 2.426 10 0 BEAERO CC(C)[NH2+]Cc1nc2ccc(F)cc2n1C ZINC000052124500 167121541 /nfs/dbraw/zinc/12/15/41/167121541.db2.gz WFLWLTCXZSIAAM-UHFFFAOYSA-N 1 0 221.279 2.210 10 0 BEAERO CC(C)[NH2+]Cc1nc2c(cccc2F)n1C ZINC000037474960 167121871 /nfs/dbraw/zinc/12/18/71/167121871.db2.gz JJQVWTUOZOBXQV-UHFFFAOYSA-N 1 0 221.279 2.210 10 0 BEAERO CC(C)[NH2+]Cc1nnc(-c2ccc(F)cc2)o1 ZINC000030824915 167122875 /nfs/dbraw/zinc/12/28/75/167122875.db2.gz YLKJZTGGAMUQLR-UHFFFAOYSA-N 1 0 235.262 2.374 10 0 BEAERO CC(C)[NH2+][C@@H](C)[C@H](O)c1ccc(F)c(F)c1 ZINC000071533960 167132305 /nfs/dbraw/zinc/13/23/05/167132305.db2.gz PHFNDPNHOQNOKS-UFBFGSQYSA-N 1 0 229.270 2.385 10 0 BEAERO CC(C)[NH2+][C@@H](c1nccs1)[C@@H]1CCOC1 ZINC000041061536 167134632 /nfs/dbraw/zinc/13/46/32/167134632.db2.gz QPOUZYMXHRVKSY-NXEZZACHSA-N 1 0 226.345 2.219 10 0 BEAERO CC(C)[NH2+][C@@]1(CN)CCCc2ccccc21 ZINC000050270931 167136201 /nfs/dbraw/zinc/13/62/01/167136201.db2.gz QBZBTMGUYKKTEA-CQSZACIVSA-N 1 0 218.344 2.175 10 0 BEAERO CC(C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000121727827 167139000 /nfs/dbraw/zinc/13/90/00/167139000.db2.gz IBVVGYCOLNFLNP-LLVKDONJSA-N 1 0 230.315 2.326 10 0 BEAERO CC(C)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000152014574 167140448 /nfs/dbraw/zinc/14/04/48/167140448.db2.gz NVXPFFFEPDEPDQ-HIFRSBDPSA-N 1 0 247.386 2.290 10 0 BEAERO CC(C)[NH2+][C@](C)(CO)c1ccc(F)cc1 ZINC000038115444 167141553 /nfs/dbraw/zinc/14/15/53/167141553.db2.gz OIGNGYIQWJDTMN-GFCCVEGCSA-N 1 0 211.280 2.031 10 0 BEAERO CC(C)[NH2+][C@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974242 167141908 /nfs/dbraw/zinc/14/19/08/167141908.db2.gz AOEMKSUXDQNSDR-ZBEGNZNMSA-N 1 0 241.331 2.376 10 0 BEAERO CC(C)Nc1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856773 167144043 /nfs/dbraw/zinc/14/40/43/167144043.db2.gz HYBXXKGTZCDBBK-UHFFFAOYSA-N 1 0 211.696 2.444 10 0 BEAERO CC(C)C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000396981414 410908195 /nfs/dbraw/zinc/90/81/95/410908195.db2.gz UOXYWPJKRXJBLQ-CHWSQXEVSA-N 1 0 240.391 2.397 10 0 BEAERO CC[NH+](CC)CC[C@@H](O)c1cccc(OC)c1 ZINC000041629608 169784355 /nfs/dbraw/zinc/78/43/55/169784355.db2.gz BVQZNTIEIIVTOA-CQSZACIVSA-N 1 0 237.343 2.461 10 0 BEAERO CC[NH+](CC)CC[C@H](N)c1cccs1 ZINC000020274136 169784389 /nfs/dbraw/zinc/78/43/89/169784389.db2.gz DZAUSWMIZKKSSV-JTQLQIEISA-N 1 0 212.362 2.480 10 0 BEAERO CC(C)OCCCn1c(C[NH3+])nc2ccccc21 ZINC000098128317 167229889 /nfs/dbraw/zinc/22/98/89/167229889.db2.gz WQALJLDODQSYDT-UHFFFAOYSA-N 1 0 247.342 2.310 10 0 BEAERO CC(C)OCC[NH2+][C@H]1CCc2c1cccc2O ZINC000160044127 167246583 /nfs/dbraw/zinc/24/65/83/167246583.db2.gz LAMLIZCCLDPSCX-ZDUSSCGKSA-N 1 0 235.327 2.394 10 0 BEAERO CC(C)OCCOc1cccc(C[C@@H](C)[NH3+])c1 ZINC000049261113 167249094 /nfs/dbraw/zinc/24/90/94/167249094.db2.gz CHQWQAJVLOELCC-GFCCVEGCSA-N 1 0 237.343 2.380 10 0 BEAERO CC(C)OCc1ccc(C(N)=[NH2+])cc1F ZINC000019440622 167271026 /nfs/dbraw/zinc/27/10/26/167271026.db2.gz VEHXLCCRRRNWFB-UHFFFAOYSA-N 1 0 210.252 2.035 10 0 BEAERO CC(C)Oc1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000066112839 167288640 /nfs/dbraw/zinc/28/86/40/167288640.db2.gz DRKOFTMKOFGFRO-UHFFFAOYSA-N 1 0 231.299 2.323 10 0 BEAERO CC(C)Oc1ccc(Cn2cc[nH+]c2N)cc1 ZINC000037742942 167296065 /nfs/dbraw/zinc/29/60/65/167296065.db2.gz HFGGJGKVLBPECW-UHFFFAOYSA-N 1 0 231.299 2.301 10 0 BEAERO CC(C)Oc1ccc(NCCC[NH3+])cc1F ZINC000107288007 167296475 /nfs/dbraw/zinc/29/64/75/167296475.db2.gz RFEZHIUQJMKYBR-UHFFFAOYSA-N 1 0 226.295 2.374 10 0 BEAERO CC(C)Oc1ccc([C@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000041266680 167301365 /nfs/dbraw/zinc/30/13/65/167301365.db2.gz JATBLUDWGSTAJU-KBPBESRZSA-N 1 0 235.327 2.259 10 0 BEAERO CC(C)Oc1ccc([C@]2(O)CCC[NH2+]C2)cc1 ZINC000071546216 167302745 /nfs/dbraw/zinc/30/27/45/167302745.db2.gz OLZKKJOKNXNUHM-AWEZNQCLSA-N 1 0 235.327 2.045 10 0 BEAERO CC[NH+](CC)C[C@@H](O)c1ccccc1C ZINC000019784811 169787043 /nfs/dbraw/zinc/78/70/43/169787043.db2.gz YIMXNOHUYDEAAZ-CYBMUJFWSA-N 1 0 207.317 2.370 10 0 BEAERO CC(C)Oc1ccccc1N1CC[C@@H]([NH3+])C1 ZINC000077331097 167311505 /nfs/dbraw/zinc/31/15/05/167311505.db2.gz JGDHOCNIQBBNSN-LLVKDONJSA-N 1 0 220.316 2.011 10 0 BEAERO CC(C)SCc1ncc(C[NH3+])s1 ZINC000082416500 167336297 /nfs/dbraw/zinc/33/62/97/167336297.db2.gz XVRHSTGRBSVICP-UHFFFAOYSA-N 1 0 202.348 2.243 10 0 BEAERO CC(C)[C@@H](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236657687 167356454 /nfs/dbraw/zinc/35/64/54/167356454.db2.gz PBYCJCQUVINFJQ-STQMWFEESA-N 1 0 240.391 2.175 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881643 167366143 /nfs/dbraw/zinc/36/61/43/167366143.db2.gz BISUSXXFRYKQFW-DOMZBBRYSA-N 1 0 248.370 2.363 10 0 BEAERO CC(C)[C@@H](C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055123048 167371825 /nfs/dbraw/zinc/37/18/25/167371825.db2.gz LEYOHMGBQWKKFN-VOMCLLRMSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@@H](C)[NH2+]CC(=O)NC1CCCCCC1 ZINC000048694683 167381041 /nfs/dbraw/zinc/38/10/41/167381041.db2.gz UUOYJPLCUSMDBJ-GFCCVEGCSA-N 1 0 240.391 2.460 10 0 BEAERO CC(C)[C@@H](C[NH3+])c1nc2ccccc2[nH]1 ZINC000082926183 167396376 /nfs/dbraw/zinc/39/63/76/167396376.db2.gz FRTCFFKNDXZTPS-SECBINFHSA-N 1 0 203.289 2.261 10 0 BEAERO CC(C)[C@@H](C[NH3+])N1CCc2ccccc21 ZINC000022167102 167397057 /nfs/dbraw/zinc/39/70/57/167397057.db2.gz PPNJUHJJRSDVHM-CYBMUJFWSA-N 1 0 204.317 2.032 10 0 BEAERO CC(C)[C@@H](C[NH2+]Cc1ccccc1)N(C)C ZINC000020145845 167399495 /nfs/dbraw/zinc/39/94/95/167399495.db2.gz CMYHRKCNOGWHRY-CQSZACIVSA-N 1 0 220.360 2.362 10 0 BEAERO CC[NH+](CC)Cc1ccc(OC)c(C=O)c1 ZINC000045206413 169791469 /nfs/dbraw/zinc/79/14/69/169791469.db2.gz UDTYTFYGFMERGB-UHFFFAOYSA-N 1 0 221.300 2.350 10 0 BEAERO CC(C)c1ccc(-c2n[nH]c(CC[NH3+])n2)cc1 ZINC000061844093 167583288 /nfs/dbraw/zinc/58/32/88/167583288.db2.gz OALVXZVSYVBXCW-UHFFFAOYSA-N 1 0 230.315 2.096 10 0 BEAERO CC(C)c1ccc(-c2nnc(CC[NH3+])o2)cc1 ZINC000050283765 167583435 /nfs/dbraw/zinc/58/34/35/167583435.db2.gz ITHGRDSCSDOWNA-UHFFFAOYSA-N 1 0 231.299 2.361 10 0 BEAERO CCC1CCC(NC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000042581855 411019686 /nfs/dbraw/zinc/01/96/86/411019686.db2.gz PTLPBGPAACYHRR-WXRRBKDZSA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@H](NC(=O)C1CCC([NH3+])CC1)C(C)C ZINC000042592824 411022013 /nfs/dbraw/zinc/02/20/13/411022013.db2.gz AFIZNIPMPKHXFQ-MCIGGMRASA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)c1ccc(OCC[C@](C)(O)C[NH3+])cc1 ZINC000019668250 167608862 /nfs/dbraw/zinc/60/88/62/167608862.db2.gz WXUYVXIIHNUPCZ-AWEZNQCLSA-N 1 0 237.343 2.289 10 0 BEAERO CC(C)c1ccc([C@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000091406874 167617371 /nfs/dbraw/zinc/61/73/71/167617371.db2.gz HTCHXKJGMKVNDR-NSHDSACASA-N 1 0 246.354 2.207 10 0 BEAERO CC(C)c1ccc([C@H](C[NH3+])CCO)cc1 ZINC000041216305 167619144 /nfs/dbraw/zinc/61/91/44/167619144.db2.gz PAPLGIVWBQWNDJ-ZDUSSCGKSA-N 1 0 207.317 2.235 10 0 BEAERO CC(C)c1ccc([C@]2(C)OC[C@H](C[NH3+])O2)cc1 ZINC000049827599 167622406 /nfs/dbraw/zinc/62/24/06/167622406.db2.gz UGCWPRXAPQYKMR-UONOGXRCSA-N 1 0 235.327 2.357 10 0 BEAERO Cc1cc(C)cc(OCCN2CCC[C@H]2C[NH3+])c1 ZINC000123443252 411153198 /nfs/dbraw/zinc/15/31/98/411153198.db2.gz GAGRGHPJBIOOBL-AWEZNQCLSA-N 1 0 248.370 2.105 10 0 BEAERO CC[NH+](CC)[C@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000019391660 169801963 /nfs/dbraw/zinc/80/19/63/169801963.db2.gz HAQULEWXGIIKQK-GJZGRUSLSA-N 1 0 248.370 2.352 10 0 BEAERO c1ccc2c(c1)ncnc2NCC[C@H]1CC[NH2+]C1 ZINC000110798736 411119400 /nfs/dbraw/zinc/11/94/00/411119400.db2.gz BQQLWJBQVPFFMJ-LLVKDONJSA-N 1 0 242.326 2.041 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812874 411190305 /nfs/dbraw/zinc/19/03/05/411190305.db2.gz SAFNTOARYFPASM-ZIAGYGMSSA-N 1 0 241.375 2.181 10 0 BEAERO CCCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000128956043 411194358 /nfs/dbraw/zinc/19/43/58/411194358.db2.gz QYWGULQVUCJRTI-GFCCVEGCSA-N 1 0 226.364 2.151 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000658353954 411245767 /nfs/dbraw/zinc/24/57/67/411245767.db2.gz UPMQAFOWQDMUSD-BPCQOVAHSA-N 1 0 223.360 2.460 10 0 BEAERO C1[C@H]2CCC[C@H]([NH2+][C@H]3COC4(CCC4)C3)[C@@H]12 ZINC000658042005 411215811 /nfs/dbraw/zinc/21/58/11/411215811.db2.gz NVGPXXAPFIYWJH-NDBYEHHHSA-N 1 0 221.344 2.476 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC(C)(C)C1 ZINC000129078643 411217919 /nfs/dbraw/zinc/21/79/19/411217919.db2.gz JJUMVAOFWHFWQD-LLVKDONJSA-N 1 0 226.364 2.008 10 0 BEAERO CCN(CC)c1ccccc1CCC[NH3+] ZINC000020269628 169805030 /nfs/dbraw/zinc/80/50/30/169805030.db2.gz LWNQAEAFFZSLOZ-UHFFFAOYSA-N 1 0 206.333 2.424 10 0 BEAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCNC2=O)cc1C ZINC000658055676 411222242 /nfs/dbraw/zinc/22/22/42/411222242.db2.gz UALZZMRSMGGEHU-GXTWGEPZSA-N 1 0 246.354 2.151 10 0 BEAERO CO[C@](C)(CO)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000655785620 411227884 /nfs/dbraw/zinc/22/78/84/411227884.db2.gz LJLZTXVLRSUTHX-BZPMIXESSA-N 1 0 243.391 2.188 10 0 BEAERO CO[C@](C)(CO)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000655785622 411227894 /nfs/dbraw/zinc/22/78/94/411227894.db2.gz LJLZTXVLRSUTHX-OBJOEFQTSA-N 1 0 243.391 2.188 10 0 BEAERO CC[C@H](O)C[NH2+]Cc1ccc2ccccc2n1 ZINC000124544410 411230791 /nfs/dbraw/zinc/23/07/91/411230791.db2.gz OVHMCQBOHNIQOX-ZDUSSCGKSA-N 1 0 230.311 2.095 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC000049398659 411233051 /nfs/dbraw/zinc/23/30/51/411233051.db2.gz DNNJWNKALUAWMP-NSHDSACASA-N 1 0 238.331 2.105 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1nccc(C(C)(C)C)n1 ZINC000310337968 411234070 /nfs/dbraw/zinc/23/40/70/411234070.db2.gz NFOJDHXILGAITH-UWVGGRQHSA-N 1 0 236.363 2.312 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C2COCCOC2)CC(C)(C)C1 ZINC000310497821 411239545 /nfs/dbraw/zinc/23/95/45/411239545.db2.gz QERAWUOLXOUGSY-VXGBXAGGSA-N 1 0 241.375 2.206 10 0 BEAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310515567 411239778 /nfs/dbraw/zinc/23/97/78/411239778.db2.gz RKVZTQYCWPQVMI-ZKYQVNSYSA-N 1 0 233.359 2.261 10 0 BEAERO C[C@H]1C[C@H]([NH2+]C2COCCOC2)CC(C)(C)C1 ZINC000310497820 411240077 /nfs/dbraw/zinc/24/00/77/411240077.db2.gz QERAWUOLXOUGSY-RYUDHWBXSA-N 1 0 241.375 2.206 10 0 BEAERO COc1cccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396728741 411240360 /nfs/dbraw/zinc/24/03/60/411240360.db2.gz ZYCYYLCFKYSNOB-HUBLWGQQSA-N 1 0 248.370 2.486 10 0 BEAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(C)(C)C)[C@H]2C1 ZINC000092096160 411268680 /nfs/dbraw/zinc/26/86/80/411268680.db2.gz DEMOPUKHCDYRKD-FRRDWIJNSA-N 1 0 241.375 2.301 10 0 BEAERO CC[C@@H](NC(=O)C[NH2+]C1CC1)c1ccccc1 ZINC000051628619 411279910 /nfs/dbraw/zinc/27/99/10/411279910.db2.gz INRVABJKJMKKMP-CYBMUJFWSA-N 1 0 232.327 2.006 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C2CC(CO)C2)[C@H](C)C1 ZINC000658358185 411286419 /nfs/dbraw/zinc/28/64/19/411286419.db2.gz YIANIQNULZZJDR-KRDKVTMHSA-N 1 0 211.349 2.172 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccnnc1 ZINC000616586807 411293281 /nfs/dbraw/zinc/29/32/81/411293281.db2.gz IIZVNMHIXVINMQ-AWEZNQCLSA-N 1 0 225.295 2.054 10 0 BEAERO CC1(C)CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000070260359 411296779 /nfs/dbraw/zinc/29/67/79/411296779.db2.gz IYGVNPMVQYSEAC-UHFFFAOYSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000129537089 411306113 /nfs/dbraw/zinc/30/61/13/411306113.db2.gz YPKXECPUQILCBP-MPKXVKKWSA-N 1 0 217.312 2.298 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658237701 411306648 /nfs/dbraw/zinc/30/66/48/411306648.db2.gz CEOTUDIQULQZHT-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO c1ccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656608851 411307964 /nfs/dbraw/zinc/30/79/64/411307964.db2.gz NMMBZLRXEZNCDZ-CQSZACIVSA-N 1 0 245.370 2.298 10 0 BEAERO C[C@]([NH3+])(c1ccsn1)c1cccs1 ZINC000575453876 411308119 /nfs/dbraw/zinc/30/81/19/411308119.db2.gz AOUWXFNXFQSSNE-VIFPVBQESA-N 1 0 210.327 2.427 10 0 BEAERO CCc1nc(C)cc(NCC2([NH3+])CCCC2)n1 ZINC000656610431 411308539 /nfs/dbraw/zinc/30/85/39/411308539.db2.gz FSRXDZIODZJRID-UHFFFAOYSA-N 1 0 234.347 2.031 10 0 BEAERO CC[N@@H+](Cc1ccccn1)C[C@@H]1CCC[C@H](O)C1 ZINC000311056566 411309870 /nfs/dbraw/zinc/30/98/70/411309870.db2.gz YHJSSQKQJUMZFZ-HIFRSBDPSA-N 1 0 248.370 2.455 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000118979776 411260940 /nfs/dbraw/zinc/26/09/40/411260940.db2.gz PUIGXVYHUKXGLJ-HNNXBMFYSA-N 1 0 249.354 2.214 10 0 BEAERO CC1(C)CCCC[C@H]1[NH2+]C1CC(CO)C1 ZINC000658355717 411352067 /nfs/dbraw/zinc/35/20/67/411352067.db2.gz JFAOCPTWTPPJCL-HTAVTVPLSA-N 1 0 211.349 2.316 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000658351186 411353585 /nfs/dbraw/zinc/35/35/85/411353585.db2.gz KWNHLEKZOYICAX-MMWSSPAHSA-N 1 0 217.312 2.034 10 0 BEAERO CC[C@@H]([NH2+]C1CC(CO)C1)c1ccccc1 ZINC000658351535 411354103 /nfs/dbraw/zinc/35/41/03/411354103.db2.gz NKVFEMVKEOPIKT-UXUKBGGZSA-N 1 0 219.328 2.498 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]C2CC(CO)C2)cs1 ZINC000658351921 411355033 /nfs/dbraw/zinc/35/50/33/411355033.db2.gz BLJMQCMEGWRCJS-GRZMOONWSA-N 1 0 225.357 2.478 10 0 BEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000130854696 411366075 /nfs/dbraw/zinc/36/60/75/411366075.db2.gz HFYCWXPCLCNSTA-RYUDHWBXSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CS1 ZINC000655728803 411368034 /nfs/dbraw/zinc/36/80/34/411368034.db2.gz YIMCPXYCKPBUIS-MROQNXINSA-N 1 0 243.416 2.411 10 0 BEAERO CC[C@H](C)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659341640 411371381 /nfs/dbraw/zinc/37/13/81/411371381.db2.gz YOVLRKBNKKVOPS-TUAOUCFPSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@H](C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659341639 411371495 /nfs/dbraw/zinc/37/14/95/411371495.db2.gz YOVLRKBNKKVOPS-SRVKXCTJSA-N 1 0 226.364 2.056 10 0 BEAERO CC1(C)[C@H]([NH3+])C[C@H]1OCc1ccccc1 ZINC000085520709 168005420 /nfs/dbraw/zinc/00/54/20/168005420.db2.gz CXYDSYBZISZBRQ-VXGBXAGGSA-N 1 0 205.301 2.329 10 0 BEAERO CC1(CO)CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000287878543 168052121 /nfs/dbraw/zinc/05/21/21/168052121.db2.gz SSGIACDSVIJMSP-CQSZACIVSA-N 1 0 245.366 2.421 10 0 BEAERO CC1(NC(=O)C2([NH3+])CCCC2)CCCCC1 ZINC000045046950 168054766 /nfs/dbraw/zinc/05/47/66/168054766.db2.gz XGSUEXULXHAGKH-UHFFFAOYSA-N 1 0 224.348 2.097 10 0 BEAERO CC1(NC(=O)[C@@H](C[NH3+])c2ccccc2)CCCC1 ZINC000061612762 168058907 /nfs/dbraw/zinc/05/89/07/168058907.db2.gz BYNYTOMNRQMJFZ-ZDUSSCGKSA-N 1 0 246.354 2.178 10 0 BEAERO CC1([NH2+]Cc2ccc3c[nH]nc3c2)CCOCC1 ZINC000131103221 168064362 /nfs/dbraw/zinc/06/43/62/168064362.db2.gz BZYRQZURKANMOD-UHFFFAOYSA-N 1 0 245.326 2.222 10 0 BEAERO CC1=CC[N@H+](CCOc2cccc(N)c2)CC1 ZINC000075423285 168112587 /nfs/dbraw/zinc/11/25/87/168112587.db2.gz RYNNFFHJYJIXQW-UHFFFAOYSA-N 1 0 232.327 2.300 10 0 BEAERO CC1CCC(C[NH3+])(OC[C@H]2CCCO2)CC1 ZINC000050493865 168153149 /nfs/dbraw/zinc/15/31/49/168153149.db2.gz LRFCXHPXIWOGAB-OTTFEQOBSA-N 1 0 227.348 2.090 10 0 BEAERO CC1CCC([NH3+])(C(=O)OC2CCCC2)CC1 ZINC000048632273 168159315 /nfs/dbraw/zinc/15/93/15/168159315.db2.gz BNFPLYXTTHOTPQ-UHFFFAOYSA-N 1 0 225.332 2.380 10 0 BEAERO CC1CCC(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000019507612 168163120 /nfs/dbraw/zinc/16/31/20/168163120.db2.gz DDTRBPRBMHPMKU-ZFQMDJOTSA-N 1 0 238.375 2.069 10 0 BEAERO CC1CCC(OCC[NH2+]C2CCOCC2)CC1 ZINC000062768012 168168163 /nfs/dbraw/zinc/16/81/63/168168163.db2.gz FFWGYKFIHMNTBE-UHFFFAOYSA-N 1 0 241.375 2.350 10 0 BEAERO CC1CCC(Oc2cc(C(N)=[NH2+])ccn2)CC1 ZINC000019434643 168168649 /nfs/dbraw/zinc/16/86/49/168168649.db2.gz KWRROQXTPJCCKO-UHFFFAOYSA-N 1 0 233.315 2.323 10 0 BEAERO CC1CCC(c2nccc(C[NH3+])n2)CC1 ZINC000054791058 168170151 /nfs/dbraw/zinc/17/01/51/168170151.db2.gz VMEGBLDDVHBRSZ-UHFFFAOYSA-N 1 0 205.305 2.229 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCC1CCC1 ZINC000659360939 411376607 /nfs/dbraw/zinc/37/66/07/411376607.db2.gz HDLZOIHNSRHWBO-CHWSQXEVSA-N 1 0 238.375 2.058 10 0 BEAERO Cc1cnccc1C[NH2+]CC[C@H]1CCCO1 ZINC000129760320 411388302 /nfs/dbraw/zinc/38/83/02/411388302.db2.gz YWQDCMRLIDNOFX-CYBMUJFWSA-N 1 0 220.316 2.049 10 0 BEAERO CC1OCC([C@@H](c2ccccc2)[NH+](C)C)CO1 ZINC000039215621 168191560 /nfs/dbraw/zinc/19/15/60/168191560.db2.gz NIOPXVUUFUEENU-UXUKBGGZSA-N 1 0 235.327 2.298 10 0 BEAERO CCC(=O)CC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000190222241 168201868 /nfs/dbraw/zinc/20/18/68/168201868.db2.gz BNFHYLBJKVTBMV-ZDUSSCGKSA-N 1 0 249.358 2.198 10 0 BEAERO CCC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000190296933 168203157 /nfs/dbraw/zinc/20/31/57/168203157.db2.gz VMTCUFSITVCIKL-CYBMUJFWSA-N 1 0 235.331 2.306 10 0 BEAERO COC[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1C ZINC000309433008 411383480 /nfs/dbraw/zinc/38/34/80/411383480.db2.gz GPHMYJWGGKAYFJ-FPMFFAJLSA-N 1 0 219.328 2.475 10 0 BEAERO CCC(=O)OCCC[NH2+]Cc1ccccc1 ZINC000082690078 168250282 /nfs/dbraw/zinc/25/02/82/168250282.db2.gz ZVQDHKPGIUZTPS-UHFFFAOYSA-N 1 0 221.300 2.120 10 0 BEAERO CCC(C)(C)C(=O)NC1CCC([NH2+]C)CC1 ZINC000054402015 168264069 /nfs/dbraw/zinc/26/40/69/168264069.db2.gz JLEBAOIEUNEAGT-UHFFFAOYSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336783215 168277860 /nfs/dbraw/zinc/27/78/60/168277860.db2.gz ZSTAAVBKYKOVJD-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020036078 168299055 /nfs/dbraw/zinc/29/90/55/168299055.db2.gz QMCZFIWHVXZAJX-UHFFFAOYSA-N 1 0 238.306 2.203 10 0 BEAERO C[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C[C@H]1C ZINC000129821186 411394439 /nfs/dbraw/zinc/39/44/39/411394439.db2.gz HPIANNWRFYSCKP-OKZRHMCRSA-N 1 0 238.375 2.008 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659341019 411399935 /nfs/dbraw/zinc/39/99/35/411399935.db2.gz YGMYGHIRGSLLEP-RYUDHWBXSA-N 1 0 240.391 2.317 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000659340760 411400201 /nfs/dbraw/zinc/40/02/01/411400201.db2.gz XGXMIIBWDRFWGE-WOPDTQHZSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070307710 411401541 /nfs/dbraw/zinc/40/15/41/411401541.db2.gz MZMBNPONBKBGTP-VXGBXAGGSA-N 1 0 238.375 2.071 10 0 BEAERO CC[N@@H+]1CCCOC[C@H]1c1cccc(OC)c1 ZINC000616648297 411411319 /nfs/dbraw/zinc/41/13/19/411411319.db2.gz DQAHPOKSGPWMQF-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000658354667 411416845 /nfs/dbraw/zinc/41/68/45/411416845.db2.gz DXYYBZUBLBSNNP-MVKMKZAISA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(CO)C1 ZINC000658354836 411416849 /nfs/dbraw/zinc/41/68/49/411416849.db2.gz DXYYBZUBLBSNNP-POOIEITISA-N 1 0 211.349 2.316 10 0 BEAERO CCCC(C)(C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000126186870 411421523 /nfs/dbraw/zinc/42/15/23/411421523.db2.gz NXKJJLYIGRNQHO-SNVBAGLBSA-N 1 0 214.353 2.055 10 0 BEAERO CCN(C[C@@H](C)C[NH3+])c1nc2ccccc2o1 ZINC000042442539 169880256 /nfs/dbraw/zinc/88/02/56/169880256.db2.gz TZZPJOFYOLILSA-JTQLQIEISA-N 1 0 233.315 2.249 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@H]([NH3+])C(C)C)n1 ZINC000122574986 411432970 /nfs/dbraw/zinc/43/29/70/411432970.db2.gz SFIWNRNTPONARZ-NSHDSACASA-N 1 0 236.363 2.304 10 0 BEAERO CC[C@@H]1CN(c2ccc(Cl)cn2)CC[C@@H]1[NH3+] ZINC000122940936 411436256 /nfs/dbraw/zinc/43/62/56/411436256.db2.gz QXXBSFZPUCWUAW-KOLCDFICSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@H]1CN(Cc2cscc2Cl)C[C@@H]1[NH3+] ZINC000306177516 411437320 /nfs/dbraw/zinc/43/73/20/411437320.db2.gz OBMZYTONGSXOAW-XVKPBYJWSA-N 1 0 230.764 2.181 10 0 BEAERO CC[C@H]1CN(c2ccncc2Cl)CC[C@@H]1[NH3+] ZINC000122989248 411437903 /nfs/dbraw/zinc/43/79/03/411437903.db2.gz ZXAYPIRHSRDFIW-ONGXEEELSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cccs1 ZINC000070618758 411440522 /nfs/dbraw/zinc/44/05/22/411440522.db2.gz HSUUAOIVERDKLW-SKDRFNHKSA-N 1 0 238.356 2.067 10 0 BEAERO CCN(c1ccccc1)[C@@H](C[NH3+])C(C)C ZINC000019261076 169942939 /nfs/dbraw/zinc/94/29/39/169942939.db2.gz FFVCCAWKJQNURY-ZDUSSCGKSA-N 1 0 206.333 2.496 10 0 BEAERO C(CC1CCC1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659902310 411490743 /nfs/dbraw/zinc/49/07/43/411490743.db2.gz VHISTMKFXFCMBX-CQSZACIVSA-N 1 0 222.376 2.347 10 0 BEAERO OCC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000659953987 411500941 /nfs/dbraw/zinc/50/09/41/411500941.db2.gz YYMWCCWRIPRJLM-CYBMUJFWSA-N 1 0 211.349 2.271 10 0 BEAERO CC[C@@H]([NH2+]C1CC(CO)C1)c1ccc(F)cn1 ZINC000658357854 411501264 /nfs/dbraw/zinc/50/12/64/411501264.db2.gz XGBGCGWEBRNVBM-QEWOUOOISA-N 1 0 238.306 2.032 10 0 BEAERO OCC1CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000658357955 411502077 /nfs/dbraw/zinc/50/20/77/411502077.db2.gz XWOYAXWDKLGSAC-WDIPEOLASA-N 1 0 231.339 2.498 10 0 BEAERO CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCO2)CCO1 ZINC000069889595 411505039 /nfs/dbraw/zinc/50/50/39/411505039.db2.gz YFSDJZJHLGOHIS-RYUDHWBXSA-N 1 0 227.348 2.103 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)CC ZINC000336750255 411509774 /nfs/dbraw/zinc/50/97/74/411509774.db2.gz ZJUJPPPXYHZRSR-VXGBXAGGSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000659953897 411510206 /nfs/dbraw/zinc/51/02/06/411510206.db2.gz XRQBJEYXLAMJIY-MNOVXSKESA-N 1 0 235.318 2.372 10 0 BEAERO COCc1nc(C[NH2+]C2(C)CC=CC2)cs1 ZINC000655814029 411523469 /nfs/dbraw/zinc/52/34/69/411523469.db2.gz GURVDGSAJAJLBE-UHFFFAOYSA-N 1 0 238.356 2.488 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000238856878 170018233 /nfs/dbraw/zinc/01/82/33/170018233.db2.gz XNDXBESKWCDSDL-CMPLNLGQSA-N 1 0 244.260 2.198 10 0 BEAERO CC[N@@H+]1CCc2[nH]c3ccc(N)cc3c2C1 ZINC000085348041 170023904 /nfs/dbraw/zinc/02/39/04/170023904.db2.gz JHZNWRXCXUUAJU-UHFFFAOYSA-N 1 0 215.300 2.128 10 0 BEAERO CC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062571005 170027799 /nfs/dbraw/zinc/02/77/99/170027799.db2.gz LDWSBQXBKJWAHS-STQMWFEESA-N 1 0 212.381 2.351 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779089 170029185 /nfs/dbraw/zinc/02/91/85/170029185.db2.gz NDVODXDNOMWVNU-MFKMUULPSA-N 1 0 238.400 2.486 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2occc2C)C1 ZINC000336782161 170031284 /nfs/dbraw/zinc/03/12/84/170031284.db2.gz WURMNDQWIGHFNY-VXGBXAGGSA-N 1 0 222.332 2.018 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cccs2)C1 ZINC000336753920 170037846 /nfs/dbraw/zinc/03/78/46/170037846.db2.gz HCUNMUGDDUWZOL-CMPLNLGQSA-N 1 0 224.373 2.178 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000336776214 170038653 /nfs/dbraw/zinc/03/86/53/170038653.db2.gz FCWDIAMBPLHFQM-MELADBBJSA-N 1 0 222.376 2.273 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000309046084 170039604 /nfs/dbraw/zinc/03/96/04/170039604.db2.gz ORNZPOCMYHDFLA-WUHRBBMRSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1Cc2c(cccc2Cl)[C@H]1C[NH3+] ZINC000082701402 170040833 /nfs/dbraw/zinc/04/08/33/170040833.db2.gz URMCNEDDVHWQBP-LLVKDONJSA-N 1 0 210.708 2.175 10 0 BEAERO CCNC(=[NH2+])N[C@@H](C)CCc1ccccc1 ZINC000052044481 170042002 /nfs/dbraw/zinc/04/20/02/170042002.db2.gz HWDWYTMXBBYOGS-NSHDSACASA-N 1 0 219.332 2.142 10 0 BEAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000046503995 170050358 /nfs/dbraw/zinc/05/03/58/170050358.db2.gz QWNYZNPNEHCIOD-CQSZACIVSA-N 1 0 246.354 2.350 10 0 BEAERO CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000046503996 170051710 /nfs/dbraw/zinc/05/17/10/170051710.db2.gz QWNYZNPNEHCIOD-AWEZNQCLSA-N 1 0 246.354 2.350 10 0 BEAERO CCNC(=O)CC[NH2+]C(C)(C)c1ccccc1 ZINC000299557815 170052824 /nfs/dbraw/zinc/05/28/24/170052824.db2.gz DHKUQQSSROECDS-UHFFFAOYSA-N 1 0 234.343 2.038 10 0 BEAERO CCNC(=O)CC[NH2+][C@H](C)c1ccccc1F ZINC000047848313 170053014 /nfs/dbraw/zinc/05/30/14/170053014.db2.gz ALTOUJYIBQSQOG-SNVBAGLBSA-N 1 0 238.306 2.003 10 0 BEAERO CCNC(=O)CC[C@H](C[NH3+])c1ccc(C)cc1C ZINC000076634662 170054057 /nfs/dbraw/zinc/05/40/57/170054057.db2.gz LTABJPWBXIANRP-CYBMUJFWSA-N 1 0 248.370 2.262 10 0 BEAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000036780362 170065370 /nfs/dbraw/zinc/06/53/70/170065370.db2.gz QGDFFYDTFSWFKV-GFCCVEGCSA-N 1 0 234.343 2.090 10 0 BEAERO CCNC(=O)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000036780409 170065549 /nfs/dbraw/zinc/06/55/49/170065549.db2.gz GZZGCMIBCNXCDX-CQSZACIVSA-N 1 0 246.354 2.180 10 0 BEAERO CCNC(=O)[C@H](C)[NH2+]CC1CCC(CC)CC1 ZINC000037905870 170095023 /nfs/dbraw/zinc/09/50/23/170095023.db2.gz UNMVSICBHAEXCR-HIFPTAJRSA-N 1 0 240.391 2.317 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000061287925 170107098 /nfs/dbraw/zinc/10/70/98/170107098.db2.gz QIHWONAIVIEBKP-PHIMTYICSA-N 1 0 226.364 2.164 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(C)c1 ZINC000061287900 170107348 /nfs/dbraw/zinc/10/73/48/170107348.db2.gz CVXRMCIHSRTXQH-UHFFFAOYSA-N 1 0 220.316 2.322 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C)cc1 ZINC000061287801 170107361 /nfs/dbraw/zinc/10/73/61/170107361.db2.gz AAHIKURGLABWAD-UHFFFAOYSA-N 1 0 220.316 2.322 10 0 BEAERO CC[NH2+]C(C)(C)c1nc(-c2ccc(O)cc2)no1 ZINC000061151332 170107543 /nfs/dbraw/zinc/10/75/43/170107543.db2.gz JZCKASODBXSUOL-UHFFFAOYSA-N 1 0 247.298 2.287 10 0 BEAERO CC[NH2+]C(C)(C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000061299627 170107691 /nfs/dbraw/zinc/10/76/91/170107691.db2.gz BCBHVKQJXVIWJD-VXGBXAGGSA-N 1 0 212.381 2.352 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000061299148 170107849 /nfs/dbraw/zinc/10/78/49/170107849.db2.gz YYOFHAJTYQAPEJ-VXGBXAGGSA-N 1 0 240.391 2.317 10 0 BEAERO CC[NH2+]C(C)(C)c1nc2cccnc2n1CC ZINC000104312286 170107915 /nfs/dbraw/zinc/10/79/15/170107915.db2.gz BHRVDBCJJPNLLL-UHFFFAOYSA-N 1 0 232.331 2.296 10 0 BEAERO CC[NH2+]CCC(=O)N1CCC2(CCCC2)CC1 ZINC000062958208 170111767 /nfs/dbraw/zinc/11/17/67/170111767.db2.gz IHVWFIADSNKVJK-UHFFFAOYSA-N 1 0 238.375 2.169 10 0 BEAERO CC[NH2+]CCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000061298507 170111815 /nfs/dbraw/zinc/11/18/15/170111815.db2.gz XGABERVYZBXSEJ-UHFFFAOYSA-N 1 0 231.299 2.106 10 0 BEAERO CC[NH2+]CCC[C@@H](O)c1ccc(OC)cc1 ZINC000076858654 170112500 /nfs/dbraw/zinc/11/25/00/170112500.db2.gz XQPYUVWGAMQAFT-CYBMUJFWSA-N 1 0 223.316 2.118 10 0 BEAERO CC[NH2+]CCCOc1ccccc1OC ZINC000020525237 170112954 /nfs/dbraw/zinc/11/29/54/170112954.db2.gz KFGKDIUXHJEXSY-UHFFFAOYSA-N 1 0 209.289 2.074 10 0 BEAERO CC[NH2+]CCCn1ncc2ccccc21 ZINC000050527360 170113317 /nfs/dbraw/zinc/11/33/17/170113317.db2.gz GMWKRRZKKMTHQE-UHFFFAOYSA-N 1 0 203.289 2.036 10 0 BEAERO CC[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000044380477 170113385 /nfs/dbraw/zinc/11/33/85/170113385.db2.gz VFDVXIHBXUPEOI-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO CC[NH2+]CC[C@@H](O)c1ccc(OC)c(C)c1 ZINC000049819428 170117587 /nfs/dbraw/zinc/11/75/87/170117587.db2.gz KDVRWSSHJOPMDG-GFCCVEGCSA-N 1 0 223.316 2.037 10 0 BEAERO CC[NH2+]CCc1nnc(-c2ccc(CC)cc2)o1 ZINC000050619747 170117971 /nfs/dbraw/zinc/11/79/71/170117971.db2.gz ZLKVYDXSJUPFDR-UHFFFAOYSA-N 1 0 245.326 2.451 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000061227170 170118741 /nfs/dbraw/zinc/11/87/41/170118741.db2.gz VMPDINSVYSYKCC-VXGBXAGGSA-N 1 0 234.343 2.109 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000061229466 170119059 /nfs/dbraw/zinc/11/90/59/170119059.db2.gz JNJWPIJTIDXQRM-GFCCVEGCSA-N 1 0 238.375 2.239 10 0 BEAERO CC[NH2+]C[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000034564933 170119097 /nfs/dbraw/zinc/11/90/97/170119097.db2.gz PWXRXYPATYNQNR-NSHDSACASA-N 1 0 247.260 2.218 10 0 BEAERO CC[NH2+]C[C@@H](C)c1nc2c(cccc2F)[nH]1 ZINC000061219294 170119122 /nfs/dbraw/zinc/11/91/22/170119122.db2.gz FNWQLPVIKFVXOF-MRVPVSSYSA-N 1 0 221.279 2.415 10 0 BEAERO CC[NH2+]C[C@@H](C)c1nc(-c2cc(C)ccn2)no1 ZINC000104412597 170119173 /nfs/dbraw/zinc/11/91/73/170119173.db2.gz OAOVZKWDJPJFJP-SNVBAGLBSA-N 1 0 246.314 2.153 10 0 BEAERO CC[NH2+]C[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000053696194 170120072 /nfs/dbraw/zinc/12/00/72/170120072.db2.gz GROKVICPHLOXIP-ZDUSSCGKSA-N 1 0 233.359 2.216 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000032101480 170120078 /nfs/dbraw/zinc/12/00/78/170120078.db2.gz SJCBQEVXEUKDFH-SNVBAGLBSA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000053012399 170120134 /nfs/dbraw/zinc/12/01/34/170120134.db2.gz DFZRKRABBGMWKC-NSHDSACASA-N 1 0 222.307 2.262 10 0 BEAERO CC[NH2+]C[C@@](C)(CC)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000051209969 170120856 /nfs/dbraw/zinc/12/08/56/170120856.db2.gz FTPQLRJJCONKIN-HZSPNIEDSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+]C[C@@](O)(c1ccc(OC)cc1)C(C)C ZINC000033466295 170120911 /nfs/dbraw/zinc/12/09/11/170120911.db2.gz RKJCRVAJDBOVKU-AWEZNQCLSA-N 1 0 237.343 2.148 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1OC ZINC000054590432 170120923 /nfs/dbraw/zinc/12/09/23/170120923.db2.gz AINYNDXNZLOIMT-CMPLNLGQSA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000054590724 170120942 /nfs/dbraw/zinc/12/09/42/170120942.db2.gz KJTPMRYJQWZRNU-CMPLNLGQSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1OC ZINC000054590429 170121041 /nfs/dbraw/zinc/12/10/41/170121041.db2.gz AINYNDXNZLOIMT-JQWIXIFHSA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1cc(OC)cc(OC)c1 ZINC000054590739 170121104 /nfs/dbraw/zinc/12/11/04/170121104.db2.gz DUMOWBXPKSOZKH-FZMZJTMJSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000061227172 170121805 /nfs/dbraw/zinc/12/18/05/170121805.db2.gz VMPDINSVYSYKCC-NWDGAFQWSA-N 1 0 234.343 2.109 10 0 BEAERO CC[NH2+]C[C@H](C)c1c(C)nc(C)nc1C ZINC000054854779 170121813 /nfs/dbraw/zinc/12/18/13/170121813.db2.gz UINREJXDFQWJDI-QMMMGPOBSA-N 1 0 207.321 2.115 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H]1CCc2ccccc21 ZINC000061230351 170121886 /nfs/dbraw/zinc/12/18/86/170121886.db2.gz WPUXFRVPFAFPFN-FZMZJTMJSA-N 1 0 246.354 2.036 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(OC(C)C)c(C)c1 ZINC000071548302 170122348 /nfs/dbraw/zinc/12/23/48/170122348.db2.gz IPFAMBJVOJSKPB-ZDUSSCGKSA-N 1 0 237.343 2.425 10 0 BEAERO CC[NH2+]C[C@H](O)Cc1ccc(C(C)(C)C)cc1 ZINC000071546493 170122410 /nfs/dbraw/zinc/12/24/10/170122410.db2.gz MKOYXHVIACMPLO-CQSZACIVSA-N 1 0 235.371 2.497 10 0 BEAERO CC[NH2+]C[C@H](O)c1cc(C(C)C)ccc1OC ZINC000049828913 170122674 /nfs/dbraw/zinc/12/26/74/170122674.db2.gz WAXGWRINWVVTMK-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000055028149 170123054 /nfs/dbraw/zinc/12/30/54/170123054.db2.gz FLAPYMCYNBOSQZ-JTQLQIEISA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(OC)c(OC)c1 ZINC000054590420 170123751 /nfs/dbraw/zinc/12/37/51/170123751.db2.gz SJEYCCXWIJDCES-NEPJUHHUSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1ccc(C)c(C)c1 ZINC000032011828 170123852 /nfs/dbraw/zinc/12/38/52/170123852.db2.gz FYZTVDQNWBSERZ-ZDUSSCGKSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+]Cc1cc(-n2cc(Cl)cn2)ccn1 ZINC000051492680 170124563 /nfs/dbraw/zinc/12/45/63/170124563.db2.gz QRJZETFHWGTFST-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1c(C)nc(C(C)C)nc1C ZINC000054854130 170124615 /nfs/dbraw/zinc/12/46/15/170124615.db2.gz RPICLJHNRXTLPX-UHFFFAOYSA-N 1 0 207.321 2.326 10 0 BEAERO CC[NH2+]Cc1c(Cl)nc2scc(C)n12 ZINC000075423992 170124871 /nfs/dbraw/zinc/12/48/71/170124871.db2.gz KGHYADXFSBFYQS-UHFFFAOYSA-N 1 0 229.736 2.467 10 0 BEAERO CC[NH2+]Cc1cc(COc2ccc(C)nc2)on1 ZINC000052596131 170125050 /nfs/dbraw/zinc/12/50/50/170125050.db2.gz QQMUAGPETIFJJK-UHFFFAOYSA-N 1 0 247.298 2.067 10 0 BEAERO CC[NH2+]Cc1ccc(OC)cc1OCC ZINC000033433138 170127331 /nfs/dbraw/zinc/12/73/31/170127331.db2.gz JOSCCIOUDJGWTG-UHFFFAOYSA-N 1 0 209.289 2.203 10 0 BEAERO CC[NH2+]Cc1ccccc1COC1CCOCC1 ZINC000052597363 170128289 /nfs/dbraw/zinc/12/82/89/170128289.db2.gz ZRWMKPJOMXLEJJ-UHFFFAOYSA-N 1 0 249.354 2.492 10 0 BEAERO CC[NH2+]Cc1ccnc(Cc2ccc(C)cc2)n1 ZINC000054791399 170128980 /nfs/dbraw/zinc/12/89/80/170128980.db2.gz GSNWPBDVEJMCTO-UHFFFAOYSA-N 1 0 241.338 2.485 10 0 BEAERO CC[NH2+]Cc1ccnc(N2CC[C@H](C)C2)c1 ZINC000051448328 170129224 /nfs/dbraw/zinc/12/92/24/170129224.db2.gz JCXBZWLGBWUINC-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1cnn(Cc2cccc(C)c2)c1 ZINC000054719282 170129869 /nfs/dbraw/zinc/12/98/69/170129869.db2.gz BPFILBIELUSTHO-UHFFFAOYSA-N 1 0 229.327 2.349 10 0 BEAERO CC[NH2+]Cc1csc(CN(CC)CC)n1 ZINC000045206610 170130398 /nfs/dbraw/zinc/13/03/98/170130398.db2.gz VSKJHKUSCHGSGW-UHFFFAOYSA-N 1 0 227.377 2.094 10 0 BEAERO CC[NH2+]Cc1cnc(Cc2ccccc2)nc1 ZINC000054855706 170130631 /nfs/dbraw/zinc/13/06/31/170130631.db2.gz QBXPYKNNSMKNCO-UHFFFAOYSA-N 1 0 227.311 2.177 10 0 BEAERO CC[NH2+]Cc1cnc(N2CCCC2)c(Cl)c1 ZINC000051399096 170130835 /nfs/dbraw/zinc/13/08/35/170130835.db2.gz QPQFIWOHXNXQQE-UHFFFAOYSA-N 1 0 239.750 2.445 10 0 BEAERO CC[NH2+]Cc1cnc(CSC)s1 ZINC000054496956 170130908 /nfs/dbraw/zinc/13/09/08/170130908.db2.gz UKYYGMSLYSCUBU-UHFFFAOYSA-N 1 0 202.348 2.116 10 0 BEAERO CC[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000044624080 170131559 /nfs/dbraw/zinc/13/15/59/170131559.db2.gz WKUJSKQGVFLBCX-UHFFFAOYSA-N 1 0 223.707 2.336 10 0 BEAERO CC[NH2+]Cc1sc(N2CC[C@@H](C)C2)nc1C ZINC000054998420 170132919 /nfs/dbraw/zinc/13/29/19/170132919.db2.gz FRORFNOYEZBJGN-SECBINFHSA-N 1 0 239.388 2.407 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N1CCCCCCC1 ZINC000061269293 170138719 /nfs/dbraw/zinc/13/87/19/170138719.db2.gz RDXYXQZOQJPSJU-LBPRGKRZSA-N 1 0 226.364 2.167 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000061272547 170139527 /nfs/dbraw/zinc/13/95/27/170139527.db2.gz OLMBXGBAEOZKPG-AAEUAGOBSA-N 1 0 249.358 2.066 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nncn1C1CCCCC1 ZINC000061213836 170140143 /nfs/dbraw/zinc/14/01/43/170140143.db2.gz NFPGYJBTHVJFLD-NSHDSACASA-N 1 0 236.363 2.324 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nnc(C)n1C1CCCC1 ZINC000061213764 170140517 /nfs/dbraw/zinc/14/05/17/170140517.db2.gz WCAIDKMHLNIZCF-JTQLQIEISA-N 1 0 236.363 2.242 10 0 BEAERO CC[NH2+][C@@H](C)c1c(OC)cc(OC)cc1OC ZINC000035543895 170141188 /nfs/dbraw/zinc/14/11/88/170141188.db2.gz YBAYAHWLXBRBAD-VIFPVBQESA-N 1 0 239.315 2.383 10 0 BEAERO CC[NH2+][C@@H](C)[C@H](O)c1cc(CC)ccc1OC ZINC000071548283 170141271 /nfs/dbraw/zinc/14/12/71/170141271.db2.gz ZJAONYJPEPYEAO-HZMBPMFUSA-N 1 0 237.343 2.289 10 0 BEAERO CC[NH2+][C@@H](CC)c1nnc([C@H]2CCCCO2)o1 ZINC000061512438 170143832 /nfs/dbraw/zinc/14/38/32/170143832.db2.gz DHFSBQHVOQJIEC-VHSXEESVSA-N 1 0 239.319 2.372 10 0 BEAERO CC[NH2+][C@@H](CCOCC)Cc1nc(C)cs1 ZINC000055269003 170144564 /nfs/dbraw/zinc/14/45/64/170144564.db2.gz BHSLCXBJDQDDHV-NSHDSACASA-N 1 0 242.388 2.399 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc(SCC)cc1 ZINC000096890920 170145124 /nfs/dbraw/zinc/14/51/24/170145124.db2.gz ZFVQZAPXOQVESO-LBPRGKRZSA-N 1 0 225.357 2.442 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)Cc1ccccc1 ZINC000035570535 170146460 /nfs/dbraw/zinc/14/64/60/170146460.db2.gz CNBRNROSVKBNBR-ZDUSSCGKSA-N 1 0 229.327 2.173 10 0 BEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CCC1 ZINC000035545927 170148124 /nfs/dbraw/zinc/14/81/24/170148124.db2.gz ROMOSSSAZRJKJV-CYBMUJFWSA-N 1 0 245.326 2.307 10 0 BEAERO CC[NH2+][C@@H](c1ccccc1)c1cnccn1 ZINC000037469132 170148133 /nfs/dbraw/zinc/14/81/33/170148133.db2.gz KXONZVPBPAWKSA-ZDUSSCGKSA-N 1 0 213.284 2.176 10 0 BEAERO CC[NH2+][C@@H](c1nc(C)c(C)s1)[C@H]1CCOC1 ZINC000041061110 170149830 /nfs/dbraw/zinc/14/98/30/170149830.db2.gz NWGPQXKLACXNMF-WDEREUQCSA-N 1 0 240.372 2.447 10 0 BEAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1cnn(C)c1 ZINC000060717148 170150736 /nfs/dbraw/zinc/15/07/36/170150736.db2.gz NTPNFDICNXJSOC-QWHCGFSZSA-N 1 0 221.348 2.446 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccco2)C[C@@H]1C ZINC000049708492 170151349 /nfs/dbraw/zinc/15/13/49/170151349.db2.gz VDRJNZINHPNWCE-WCQYABFASA-N 1 0 222.332 2.100 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@H]1n1cnc(C)c1C ZINC000051926866 170151738 /nfs/dbraw/zinc/15/17/38/170151738.db2.gz HLANFZKLEPFFIH-VXGBXAGGSA-N 1 0 207.321 2.203 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@H]1CN(C)Cc1cccnc1 ZINC000053867312 170152335 /nfs/dbraw/zinc/15/23/35/170152335.db2.gz BGFJEXBXUSHEMG-LSDHHAIUSA-N 1 0 247.386 2.292 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2C)C1=O ZINC000049659964 170152899 /nfs/dbraw/zinc/15/28/99/170152899.db2.gz UZCUWDBAAICPHK-GXTWGEPZSA-N 1 0 246.354 2.266 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccncc2)C[C@@H]1C ZINC000049712771 170152952 /nfs/dbraw/zinc/15/29/52/170152952.db2.gz ALXCYBOZNGOIDG-KCQAQPDRSA-N 1 0 247.386 2.463 10 0 BEAERO CC[NH2+][C@@H]1CCOc2ccc(OC)cc21 ZINC000035652794 170153086 /nfs/dbraw/zinc/15/30/86/170153086.db2.gz LLNZWZFSUBBNCV-LLVKDONJSA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@@H]1CCOc2c(F)c(F)ccc21 ZINC000062611256 170153049 /nfs/dbraw/zinc/15/30/49/170153049.db2.gz BPSQAGJFFGREHS-SECBINFHSA-N 1 0 213.227 2.398 10 0 BEAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)CCCOC ZINC000062031193 170154024 /nfs/dbraw/zinc/15/40/24/170154024.db2.gz DYNWJXPWLATRHL-MJBXVCDLSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+][C@@H]1COc2c1cccc2OCC ZINC000035654357 170154161 /nfs/dbraw/zinc/15/41/61/170154161.db2.gz WFXLRXJSOHNRCE-SNVBAGLBSA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000061269008 170156779 /nfs/dbraw/zinc/15/67/79/170156779.db2.gz ADUIKEXZBIJLCB-VXGBXAGGSA-N 1 0 246.354 2.352 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000061272078 170156988 /nfs/dbraw/zinc/15/69/88/170156988.db2.gz NFFCXGYUQIEPIQ-VXGBXAGGSA-N 1 0 228.380 2.268 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000061274096 170157002 /nfs/dbraw/zinc/15/70/02/170157002.db2.gz BXDZBBCMHJJTPR-YNEHKIRRSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@H](C)CN(C)Cc1ccccc1F ZINC000044472202 170157128 /nfs/dbraw/zinc/15/71/28/170157128.db2.gz HHCPTAHAYYWUQQ-LLVKDONJSA-N 1 0 224.323 2.256 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000061269006 170157151 /nfs/dbraw/zinc/15/71/51/170157151.db2.gz ADUIKEXZBIJLCB-NEPJUHHUSA-N 1 0 246.354 2.352 10 0 BEAERO CC[NH2+][C@H](C)C(=O)c1ccc(OCC)c(F)c1 ZINC000071549356 170157238 /nfs/dbraw/zinc/15/72/38/170157238.db2.gz PHNABNVKWKALDS-SECBINFHSA-N 1 0 239.290 2.405 10 0 BEAERO CC[NH2+][C@H](C)[C@H](C)N1CCC(C)(C)CC1 ZINC000061819762 170158562 /nfs/dbraw/zinc/15/85/62/170158562.db2.gz WTRLLOAURGPWPF-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(C)c(C)c1 ZINC000039105561 170158567 /nfs/dbraw/zinc/15/85/67/170158567.db2.gz OBPVXOPEMRBTNE-YPMHNXCESA-N 1 0 207.317 2.335 10 0 BEAERO CC[NH2+][C@H](CC)C(=O)c1cccc(OC)c1 ZINC000071523123 170160916 /nfs/dbraw/zinc/16/09/16/170160916.db2.gz NENFRSUWCQCVCW-GFCCVEGCSA-N 1 0 221.300 2.266 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc(SCC)cc1 ZINC000096890921 170162490 /nfs/dbraw/zinc/16/24/90/170162490.db2.gz ZFVQZAPXOQVESO-GFCCVEGCSA-N 1 0 225.357 2.442 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc(OCC)c(Cl)c1 ZINC000071558387 170162743 /nfs/dbraw/zinc/16/27/43/170162743.db2.gz VWCVCBNFUXSBTP-LLVKDONJSA-N 1 0 243.734 2.382 10 0 BEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@@H]1C ZINC000035545935 170163999 /nfs/dbraw/zinc/16/39/99/170163999.db2.gz LZGLFDIRDAKMGY-IYYTYJHQSA-N 1 0 245.326 2.163 10 0 BEAERO CC[NH2+][C@H]1CCCCCC[C@H]1n1cncn1 ZINC000043991464 170165602 /nfs/dbraw/zinc/16/56/02/170165602.db2.gz RNCYKKHRMBUNBK-NWDGAFQWSA-N 1 0 222.336 2.152 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@@H]1c1cncnc1 ZINC000060715520 170165890 /nfs/dbraw/zinc/16/58/90/170165890.db2.gz ABZPHRGYXGURJP-NEPJUHHUSA-N 1 0 205.305 2.112 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@H]1OC1CCOCC1 ZINC000049898984 170165939 /nfs/dbraw/zinc/16/59/39/170165939.db2.gz FINGIGZGKIOHMZ-QWHCGFSZSA-N 1 0 227.348 2.103 10 0 BEAERO CC[NH2+][C@H]1CCC[C@H]1c1cnn(CC)c1 ZINC000060716352 170166518 /nfs/dbraw/zinc/16/65/18/170166518.db2.gz ZEJBUISDJCMYIX-RYUDHWBXSA-N 1 0 207.321 2.149 10 0 BEAERO CC[NH2+][C@H]1CCC[C@@H]1c1cncc(F)c1 ZINC000060716312 170166584 /nfs/dbraw/zinc/16/65/84/170166584.db2.gz CLNVFNOYHBWSJV-NEPJUHHUSA-N 1 0 208.280 2.466 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647798 170167581 /nfs/dbraw/zinc/16/75/81/170167581.db2.gz VFZKPFOQIRKRLC-ZDUSSCGKSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)CCCC(C)C)C1=O ZINC000049649115 170167698 /nfs/dbraw/zinc/16/76/98/170167698.db2.gz RBKACTIUXQNQFX-STQMWFEESA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@H]1CCN(C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000042864336 170167992 /nfs/dbraw/zinc/16/79/92/170167992.db2.gz ZZGOABCGMJXKFP-AVGNSLFASA-N 1 0 238.375 2.023 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2C)C1=O ZINC000049659966 170168208 /nfs/dbraw/zinc/16/82/08/170168208.db2.gz UZCUWDBAAICPHK-JSGCOSHPSA-N 1 0 246.354 2.266 10 0 BEAERO CC[NH2+][C@H]1CCOC[C@H]1Cc1ccc(F)cc1 ZINC000095091494 170168684 /nfs/dbraw/zinc/16/86/84/170168684.db2.gz NWGDGBWFZREOEM-OCCSQVGLSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@](C)(CO)c1ccccc1Cl ZINC000038120151 170170570 /nfs/dbraw/zinc/17/05/70/170170570.db2.gz HJWZWCGVBWNIJD-LLVKDONJSA-N 1 0 213.708 2.157 10 0 BEAERO CCNc1ccc(C[NH+]2CCCCC2)cn1 ZINC000050792651 170173850 /nfs/dbraw/zinc/17/38/50/170173850.db2.gz WPTWVSPUDVQRKU-UHFFFAOYSA-N 1 0 219.332 2.499 10 0 BEAERO CCNc1nc(N(C)C)[nH+]c(C)c1C(C)C ZINC000061687468 170176806 /nfs/dbraw/zinc/17/68/06/170176806.db2.gz HWPLXWMHWTWNMC-UHFFFAOYSA-N 1 0 222.336 2.406 10 0 BEAERO CCNc1ncccc1C[NH+]1CCCCC1 ZINC000052716867 170178218 /nfs/dbraw/zinc/17/82/18/170178218.db2.gz WERLVWPCLIXKCR-UHFFFAOYSA-N 1 0 219.332 2.499 10 0 BEAERO CCOC(=O)CC[NH2+]C/C=C/c1ccccc1 ZINC000041685214 170209088 /nfs/dbraw/zinc/20/90/88/170209088.db2.gz HCGGAARLKSQNON-RMKNXTFCSA-N 1 0 233.311 2.243 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccc(CC)cc1 ZINC000045685437 170209386 /nfs/dbraw/zinc/20/93/86/170209386.db2.gz HHHUNCOJQLBPFN-UHFFFAOYSA-N 1 0 235.327 2.292 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000104390620 170231411 /nfs/dbraw/zinc/23/14/11/170231411.db2.gz BMRDWLCQGABSJB-GFCCVEGCSA-N 1 0 244.294 2.188 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)CC(C)(C)C1 ZINC000657592186 411556887 /nfs/dbraw/zinc/55/68/87/411556887.db2.gz FGGPLJSCFKMCSY-GKUNOOHESA-N 1 0 211.349 2.339 10 0 BEAERO CCOC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000049954622 170248112 /nfs/dbraw/zinc/24/81/12/170248112.db2.gz LKPQOJJLNFDTNM-NXEZZACHSA-N 1 0 237.299 2.037 10 0 BEAERO CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@@H]1[NH3+] ZINC000005857809 170263510 /nfs/dbraw/zinc/26/35/10/170263510.db2.gz BTKAMSWFNMGLGM-DZGCQCFKSA-N 1 0 245.322 2.165 10 0 BEAERO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000000240225 170279805 /nfs/dbraw/zinc/27/98/05/170279805.db2.gz LQHSJPSHZLJNSZ-LBPRGKRZSA-N 1 0 237.299 2.055 10 0 BEAERO CCOC(=O)c1sc([C@@H]([NH3+])CC)nc1C ZINC000083356250 170311104 /nfs/dbraw/zinc/31/11/04/170311104.db2.gz VPVXUIHOUXBPDS-ZETCQYMHSA-N 1 0 228.317 2.038 10 0 BEAERO CCOC1(C)CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000310501235 170319222 /nfs/dbraw/zinc/31/92/22/170319222.db2.gz JIQUJJKRISVEAL-QWHCGFSZSA-N 1 0 241.375 2.181 10 0 BEAERO CCOCCC[NH2+]C[C@@H](C)OCc1ccco1 ZINC000053549832 170380656 /nfs/dbraw/zinc/38/06/56/170380656.db2.gz FKKIEFRUZAGAJL-GFCCVEGCSA-N 1 0 241.331 2.201 10 0 BEAERO CCOCCC[NH2+]C[C@H](C)n1nc(C)cc1C ZINC000053520708 170380962 /nfs/dbraw/zinc/38/09/62/170380962.db2.gz WUJLKZZCIRMUIX-ZDUSSCGKSA-N 1 0 239.363 2.077 10 0 BEAERO CCOCCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@H]1CC ZINC000053447995 170380970 /nfs/dbraw/zinc/38/09/70/170380970.db2.gz DGIPBEGVBUJWMS-UONOGXRCSA-N 1 0 242.407 2.266 10 0 BEAERO CCOCC[N@H+](CC)Cc1c(N)cccc1F ZINC000104202890 170394851 /nfs/dbraw/zinc/39/48/51/170394851.db2.gz KXIYQNXGVIUNNY-UHFFFAOYSA-N 1 0 240.322 2.266 10 0 BEAERO CCOCCN(CC)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000104187747 170396235 /nfs/dbraw/zinc/39/62/35/170396235.db2.gz NKHBDQVGKHREIF-AWEZNQCLSA-N 1 0 242.407 2.121 10 0 BEAERO CCOCC[N@H+](CC)[C@@H]1CNc2ccccc2C1 ZINC000104201809 170396565 /nfs/dbraw/zinc/39/65/65/170396565.db2.gz LYDZHDFEDIIETE-AWEZNQCLSA-N 1 0 248.370 2.382 10 0 BEAERO CCOCCN1CCCC[C@@H]1C[NH2+]CC(C)C ZINC000053653119 170398555 /nfs/dbraw/zinc/39/85/55/170398555.db2.gz GAUXCKBIVVQZGU-CQSZACIVSA-N 1 0 242.407 2.123 10 0 BEAERO CCOCCN1CC[N@H+](CCC(C)C)C[C@@H]1C ZINC000105835296 170399581 /nfs/dbraw/zinc/39/95/81/170399581.db2.gz IJLWJJHXOVNSHA-AWEZNQCLSA-N 1 0 242.407 2.075 10 0 BEAERO CCOCCO[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043039072 170421096 /nfs/dbraw/zinc/42/10/96/170421096.db2.gz VPDTZZZTLCUZPH-GXTWGEPZSA-N 1 0 237.343 2.436 10 0 BEAERO CC[C@](C)([NH2+]Cc1cnn(C)c1C)C1CC1 ZINC000657690038 411579401 /nfs/dbraw/zinc/57/94/01/411579401.db2.gz RTRCXUZSIHWXNS-ZDUSSCGKSA-N 1 0 221.348 2.397 10 0 BEAERO Cc1c(C[NH2+]C(C)(C2CC2)C2CC2)cnn1C ZINC000657756660 411590273 /nfs/dbraw/zinc/59/02/73/411590273.db2.gz XDVQLIGJSDDXEQ-UHFFFAOYSA-N 1 0 233.359 2.397 10 0 BEAERO Cc1c(C[NH2+][C@]2(C)CC2(C)C)cnn1C ZINC000657761654 411591597 /nfs/dbraw/zinc/59/15/97/411591597.db2.gz QKYNNFZSQJUYTF-GFCCVEGCSA-N 1 0 207.321 2.007 10 0 BEAERO CC1=C[C@@H](C)C[C@H](C[NH2+]C2CC(CO)C2)C1 ZINC000657810720 411602849 /nfs/dbraw/zinc/60/28/49/411602849.db2.gz JETHNGZRASWYKK-IKMSWONJSA-N 1 0 223.360 2.339 10 0 BEAERO C[C@H]1CCC[C@H](C[NH2+]C2CC(CO)C2)C1 ZINC000657811407 411603168 /nfs/dbraw/zinc/60/31/68/411603168.db2.gz WQLYJDYTQSMLHQ-ZSVAQUKISA-N 1 0 211.349 2.173 10 0 BEAERO CC(C)Oc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657812345 411603669 /nfs/dbraw/zinc/60/36/69/411603669.db2.gz JAWXGHKCMPPYTB-UHFFFAOYSA-N 1 0 249.354 2.334 10 0 BEAERO OCC1CC([NH2+]Cc2ccccc2C2CC2)C1 ZINC000657812757 411604173 /nfs/dbraw/zinc/60/41/73/411604173.db2.gz NDHWMFRKMWLMLC-UHFFFAOYSA-N 1 0 231.339 2.425 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657844272 411610767 /nfs/dbraw/zinc/61/07/67/411610767.db2.gz IDUSLHCGYWAITM-STQMWFEESA-N 1 0 242.432 2.346 10 0 BEAERO C[C@H]1CCC[C@H](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000133312749 411707018 /nfs/dbraw/zinc/70/70/18/411707018.db2.gz CNUUGKSCTQCYHI-YNEHKIRRSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCC[C@@H](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000133313178 411707204 /nfs/dbraw/zinc/70/72/04/411707204.db2.gz CNUUGKSCTQCYHI-RWMBFGLXSA-N 1 0 238.375 2.071 10 0 BEAERO CCOc1cc(C)c([C@@H](CCO)[NH2+]C)cc1C ZINC000071548158 170519675 /nfs/dbraw/zinc/51/96/75/170519675.db2.gz ACYRREUDYDOKFF-CYBMUJFWSA-N 1 0 237.343 2.345 10 0 BEAERO CC(C)O[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000660897384 411662450 /nfs/dbraw/zinc/66/24/50/411662450.db2.gz IIRCUYVXFXJGDL-BFHYXJOUSA-N 1 0 241.375 2.037 10 0 BEAERO CCOc1ccc([C@@H](O)CC[NH2+]C)cc1Cl ZINC000071558396 170559900 /nfs/dbraw/zinc/55/99/00/170559900.db2.gz FMOYKHABIUDKIM-NSHDSACASA-N 1 0 243.734 2.382 10 0 BEAERO CCOc1ccc([C@@H](O)C[NH2+]CC(C)C)cc1 ZINC000033466142 170560648 /nfs/dbraw/zinc/56/06/48/170560648.db2.gz KDIXFXFISVTJCK-AWEZNQCLSA-N 1 0 237.343 2.364 10 0 BEAERO CCOc1cccc(OC[C@H](C)C[NH3+])c1 ZINC000041218773 170583477 /nfs/dbraw/zinc/58/34/77/170583477.db2.gz JFUGUPQBPHXYGG-SNVBAGLBSA-N 1 0 209.289 2.059 10 0 BEAERO CCOc1cccc([C@H](O)[C@H]([NH3+])C(C)C)c1 ZINC000071525133 170585801 /nfs/dbraw/zinc/58/58/01/170585801.db2.gz TXEVYCWQFJULRV-OLZOCXBDSA-N 1 0 223.316 2.102 10 0 BEAERO CCC(C)(C)[C@H](C)[NH2+]Cc1nnnn1C(C)C ZINC000661233067 411737157 /nfs/dbraw/zinc/73/71/57/411737157.db2.gz UQUXRFDBJMJTBY-JTQLQIEISA-N 1 0 239.367 2.168 10 0 BEAERO c1ccc2c(c1)ccnc2N[C@H]1CCC[NH2+]C1 ZINC000132069443 411755466 /nfs/dbraw/zinc/75/54/66/411755466.db2.gz UNXQKMDGSDMNDX-LBPRGKRZSA-N 1 0 227.311 2.399 10 0 BEAERO CCCc1nccnc1NCC[N@H+]1CC=CCC1 ZINC000663861318 411763968 /nfs/dbraw/zinc/76/39/68/411763968.db2.gz GUVOBYWHEXJCTI-UHFFFAOYSA-N 1 0 246.358 2.103 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@H]1CCCn2ccnc21 ZINC000309169678 170752341 /nfs/dbraw/zinc/75/23/41/170752341.db2.gz KTIFPECTBSHASN-GHMZBOCLSA-N 1 0 207.321 2.149 10 0 BEAERO CC[C@@H](C)Sc1cc(C(N)=[NH2+])ccn1 ZINC000019870338 170766597 /nfs/dbraw/zinc/76/65/97/170766597.db2.gz XHNSQSRSJLRIEQ-SSDOTTSWSA-N 1 0 209.318 2.256 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cn1 ZINC000077558690 170779519 /nfs/dbraw/zinc/77/95/19/170779519.db2.gz OZETUAZHRHYOMV-GMSGAONNSA-N 1 0 241.722 2.047 10 0 BEAERO CC(C)c1nccnc1NCC[C@@H](C)[NH+](C)C ZINC000664246715 411896966 /nfs/dbraw/zinc/89/69/66/411896966.db2.gz XMVHRXWHTMRTSU-LLVKDONJSA-N 1 0 236.363 2.352 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])CN(C)c1ccccc1 ZINC000011805205 170794893 /nfs/dbraw/zinc/79/48/93/170794893.db2.gz OWVIZZMNYRMODF-DGCLKSJQSA-N 1 0 206.333 2.496 10 0 BEAERO CC[C@@H](C[NH3+])CC(=O)N(C)c1ccccc1 ZINC000076610207 170821746 /nfs/dbraw/zinc/82/17/46/170821746.db2.gz IMKNEGHZRQYHRR-LLVKDONJSA-N 1 0 220.316 2.024 10 0 BEAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccccc1OC ZINC000076619076 170822012 /nfs/dbraw/zinc/82/20/12/170822012.db2.gz YKJIUXZDOMXZJA-SNVBAGLBSA-N 1 0 236.315 2.009 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccccc1C(F)(F)F ZINC000036779378 170867529 /nfs/dbraw/zinc/86/75/29/170867529.db2.gz DYQPMBLUZWYVIU-NXEZZACHSA-N 1 0 233.233 2.476 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1C)N1CCOCC1 ZINC000043033296 170868136 /nfs/dbraw/zinc/86/81/36/170868136.db2.gz DWODTGMCUHAMBV-HUUCEWRRSA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]([NH3+])[C@@](O)(c1ccccc1)C(F)(F)F ZINC000062784338 170868440 /nfs/dbraw/zinc/86/84/40/170868440.db2.gz UYAPXCINAAGXTM-ZJUUUORDSA-N 1 0 233.233 2.174 10 0 BEAERO CC[C@@H]([NH3+])[C@H](OCCOC)c1ccccc1F ZINC000043047370 170868652 /nfs/dbraw/zinc/86/86/52/170868652.db2.gz DMYKYBILHOAUMD-CHWSQXEVSA-N 1 0 241.306 2.267 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062890288 170961527 /nfs/dbraw/zinc/96/15/27/170961527.db2.gz LOWHZTWGIVFJOS-OCCSQVGLSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@@H]1CCN(Cc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666572 171012632 /nfs/dbraw/zinc/01/26/32/171012632.db2.gz KNMJZHBWBHICSR-DZGCQCFKSA-N 1 0 247.386 2.434 10 0 BEAERO CC[C@@H]1CCN(c2ccccc2COC)CC[NH2+]1 ZINC000049662637 171013354 /nfs/dbraw/zinc/01/33/54/171013354.db2.gz BEGXQCLTKCULQN-CQSZACIVSA-N 1 0 248.370 2.411 10 0 BEAERO CC[C@@H]1CCN(c2cnccc2C)CCC[NH2+]1 ZINC000071414246 171014538 /nfs/dbraw/zinc/01/45/38/171014538.db2.gz MXQDAFOKUUYGTK-CYBMUJFWSA-N 1 0 233.359 2.358 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)Cc2ccncc2)C1 ZINC000036775963 171040200 /nfs/dbraw/zinc/04/02/00/171040200.db2.gz BEIKTPYOMOFYAF-BPLDGKMQSA-N 1 0 247.386 2.419 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000308962196 171043995 /nfs/dbraw/zinc/04/39/95/171043995.db2.gz SHACIWHIGZCJJE-VOAKCMCISA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000309164136 171045784 /nfs/dbraw/zinc/04/57/84/171045784.db2.gz IFBZJAZZPVYQFX-NDBYEHHHSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CCc2nc(CC[NH3+])sc2C1 ZINC000019518601 171060691 /nfs/dbraw/zinc/06/06/91/171060691.db2.gz RQPRMERBJLCIEQ-MRVPVSSYSA-N 1 0 210.346 2.159 10 0 BEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(C)c2)CCO1 ZINC000036769402 171094657 /nfs/dbraw/zinc/09/46/57/171094657.db2.gz GEFIDTWOPXSSTA-CABCVRRESA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCCF ZINC000303392609 171099669 /nfs/dbraw/zinc/09/96/69/171099669.db2.gz DBHKGKZOQHKXMZ-OLZOCXBDSA-N 1 0 228.355 2.295 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccco1 ZINC000094447729 171100336 /nfs/dbraw/zinc/10/03/36/171100336.db2.gz QYIXVJKHHWRSNC-CHWSQXEVSA-N 1 0 234.343 2.338 10 0 BEAERO CC[C@@H]1CN[C@H](C)C[N@@H+]1C1CCCCC1 ZINC000083085213 171101166 /nfs/dbraw/zinc/10/11/66/171101166.db2.gz RRVSLUMNQHHSPQ-VXGBXAGGSA-N 1 0 210.365 2.391 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(OC)cc1 ZINC000068697378 171101342 /nfs/dbraw/zinc/10/13/42/171101342.db2.gz BALBEAQQECBJLT-GXTWGEPZSA-N 1 0 248.370 2.268 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1cccs1 ZINC000082934977 171103283 /nfs/dbraw/zinc/10/32/83/171103283.db2.gz FBUDNXORGGAKDP-GHMZBOCLSA-N 1 0 224.373 2.320 10 0 BEAERO CC[C@@H]1COCCN1CCC[NH2+]C1CCCC1 ZINC000053499257 171106886 /nfs/dbraw/zinc/10/68/86/171106886.db2.gz PQYOGENOCVWBOQ-CQSZACIVSA-N 1 0 240.391 2.020 10 0 BEAERO CC[C@@H]1CO[C@@H](C)CN1[C@@H](C)CC[NH2+]C(C)C ZINC000052571277 171111298 /nfs/dbraw/zinc/11/12/98/171111298.db2.gz YYTOYAJGUHSYRE-MELADBBJSA-N 1 0 242.407 2.262 10 0 BEAERO CC[C@@H]1CO[C@H](c2c(F)cccc2F)C[NH2+]1 ZINC000036672884 171114737 /nfs/dbraw/zinc/11/47/37/171114737.db2.gz RWSHEMRANSDBOK-KCJUWKMLSA-N 1 0 227.254 2.404 10 0 BEAERO CC[C@@](C)(C[NH3+])Oc1ccc(F)c(F)c1 ZINC000051959462 171166142 /nfs/dbraw/zinc/16/61/42/171166142.db2.gz AZBMDYPCIPYULZ-NSHDSACASA-N 1 0 215.243 2.471 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000335710241 171179201 /nfs/dbraw/zinc/17/92/01/171179201.db2.gz QGUIAIZXRMTCBU-KGLIPLIRSA-N 1 0 241.375 2.040 10 0 BEAERO CC[C@@](C)(O)C[NH+]1Cc2ccccc2C1 ZINC000119416231 171181016 /nfs/dbraw/zinc/18/10/16/171181016.db2.gz UIAWVIFBPZQOKW-CYBMUJFWSA-N 1 0 205.301 2.163 10 0 BEAERO CC[C@@](C)(O)C[NH2+][C@@H](COC)c1ccccc1 ZINC000233978816 171185317 /nfs/dbraw/zinc/18/53/17/171185317.db2.gz CMWYILDKMXCIRW-UONOGXRCSA-N 1 0 237.343 2.125 10 0 BEAERO CC[C@@]([NH2+]Cc1ccccc1)(C(N)=O)C(C)C ZINC000037941175 171195077 /nfs/dbraw/zinc/19/50/77/171195077.db2.gz DVPMHGUMUXHGTG-AWEZNQCLSA-N 1 0 234.343 2.066 10 0 BEAERO CC[C@@]1(c2ccc(OC)cc2)C[C@@H]1C[NH3+] ZINC000054587684 171215855 /nfs/dbraw/zinc/21/58/55/171215855.db2.gz JLRNFCRXIMIMCV-YPMHNXCESA-N 1 0 205.301 2.322 10 0 BEAERO CC[C@H](C)CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087095 171271035 /nfs/dbraw/zinc/27/10/35/171271035.db2.gz CGXPMETXPADLPR-SRVKXCTJSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H](C)C[N@H+](CC)C[C@@H](C)CS(C)(=O)=O ZINC000119598062 171277668 /nfs/dbraw/zinc/27/76/68/171277668.db2.gz MQKSAKVOPVVEBL-NWDGAFQWSA-N 1 0 249.420 2.035 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000309696618 171284777 /nfs/dbraw/zinc/28/47/77/171284777.db2.gz LEDIEYPRUPFETC-RYUDHWBXSA-N 1 0 221.348 2.396 10 0 BEAERO CC[C@H](C)COc1cc2c(cc1C[NH3+])OCO2 ZINC000050424028 171290847 /nfs/dbraw/zinc/29/08/47/171290847.db2.gz DZWLOJZUMFUONP-VIFPVBQESA-N 1 0 237.299 2.299 10 0 BEAERO CN(C[C@H]1CCCCC1(F)F)CC(C)(C)[NH3+] ZINC000662295292 412083478 /nfs/dbraw/zinc/08/34/78/412083478.db2.gz PCWFOTHQFPAHSK-SNVBAGLBSA-N 1 0 234.334 2.481 10 0 BEAERO CC[C@H](C)N(CCOC)c1ncc(N)cc1C ZINC000052813305 171315366 /nfs/dbraw/zinc/31/53/66/171315366.db2.gz LOEXUOOPZVLWOH-NSHDSACASA-N 1 0 237.347 2.224 10 0 BEAERO CC[C@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000187696853 171318283 /nfs/dbraw/zinc/31/82/83/171318283.db2.gz LNNXUFHWPVKASR-LBPRGKRZSA-N 1 0 248.374 2.176 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1ccccc1 ZINC000076616395 171333949 /nfs/dbraw/zinc/33/39/49/171333949.db2.gz UDVNAHMAKAEISW-AAEUAGOBSA-N 1 0 234.343 2.034 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N(CCC(C)C)C1CC1 ZINC000037807054 171339120 /nfs/dbraw/zinc/33/91/20/171339120.db2.gz BCQZXRXEFLOLLS-LBPRGKRZSA-N 1 0 240.391 2.412 10 0 BEAERO CC[C@H](C)[NH2+]CC[C@H](O)c1ccc(F)c(N)c1 ZINC000098126605 171339991 /nfs/dbraw/zinc/33/99/91/171339991.db2.gz PCYYHCXZLLLYAW-ZANVPECISA-N 1 0 240.322 2.220 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(OC)c(F)c1 ZINC000049830546 171341161 /nfs/dbraw/zinc/34/11/61/171341161.db2.gz KPKBDJGOJAEYFD-JOYOIKCWSA-N 1 0 241.306 2.256 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1OC ZINC000032014515 171341244 /nfs/dbraw/zinc/34/12/44/171341244.db2.gz YYAVNFDQCFRVPU-CMPLNLGQSA-N 1 0 223.316 2.117 10 0 BEAERO CC[C@H](C)[NH2+]Cc1sc(OC)nc1C ZINC000045205490 171344173 /nfs/dbraw/zinc/34/41/73/171344173.db2.gz TZMNXGZREDIGTI-ZETCQYMHSA-N 1 0 214.334 2.348 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000120665759 171345026 /nfs/dbraw/zinc/34/50/26/171345026.db2.gz XQOLNBOGVUBYTC-UWVGGRQHSA-N 1 0 223.364 2.356 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000041674904 171346280 /nfs/dbraw/zinc/34/62/80/171346280.db2.gz RRYRLLPKWKGUBC-UWVGGRQHSA-N 1 0 213.346 2.478 10 0 BEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(F)c(C)c1 ZINC000050559004 171348324 /nfs/dbraw/zinc/34/83/24/171348324.db2.gz RXPDBBHYCCUEIB-CABZTGNLSA-N 1 0 238.306 2.049 10 0 BEAERO CC[C@H](C)Oc1ccccc1CN1CC[NH2+]CC1 ZINC000041166519 171356697 /nfs/dbraw/zinc/35/66/97/171356697.db2.gz PROIEJRETOLLFP-ZDUSSCGKSA-N 1 0 248.370 2.269 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COC1CCCC1 ZINC000042554967 171365967 /nfs/dbraw/zinc/36/59/67/171365967.db2.gz NRBLTQYLSOBOQG-XQQFMLRXSA-N 1 0 243.391 2.331 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336735724 171366715 /nfs/dbraw/zinc/36/67/15/171366715.db2.gz LXVDDKXKSDFOGC-HBNTYKKESA-N 1 0 226.364 2.068 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000360014112 171367127 /nfs/dbraw/zinc/36/71/27/171367127.db2.gz ILBKASAITFPKFN-QJPTWQEYSA-N 1 0 221.348 2.222 10 0 BEAERO CC[C@H](C)[C@@H](CN)[NH+]1CCC(C)(C)CC1 ZINC000061818869 171368926 /nfs/dbraw/zinc/36/89/26/171368926.db2.gz ASLWKHHRWHUOHZ-NWDGAFQWSA-N 1 0 212.381 2.482 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1F ZINC000019516447 171372447 /nfs/dbraw/zinc/37/24/47/171372447.db2.gz POANCSXYQCZPNT-WRWORJQWSA-N 1 0 242.269 2.277 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])CN(C)c1ccccc1 ZINC000020071691 171372633 /nfs/dbraw/zinc/37/26/33/171372633.db2.gz OWVIZZMNYRMODF-AAEUAGOBSA-N 1 0 206.333 2.496 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152091 171388526 /nfs/dbraw/zinc/38/85/26/171388526.db2.gz BRCZCBFVMLURHN-JYBOHDQNSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000309183860 171391527 /nfs/dbraw/zinc/39/15/27/171391527.db2.gz OFZNSFKUYBTUBU-CYDGBPFRSA-N 1 0 212.381 2.351 10 0 BEAERO CC[C@H](C)[C@H](C[NH3+])N1Cc2ccccc2C1 ZINC000050910528 171392184 /nfs/dbraw/zinc/39/21/84/171392184.db2.gz SWVCNTPPYGODPW-FZMZJTMJSA-N 1 0 218.344 2.376 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366343686 171393992 /nfs/dbraw/zinc/39/39/92/171393992.db2.gz CEHFQASNCMDTQR-LOWDOPEQSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CC)c1ccccc1 ZINC000011959749 171394365 /nfs/dbraw/zinc/39/43/65/171394365.db2.gz KVYHVEUMXYQMIY-AAEUAGOBSA-N 1 0 234.343 2.413 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000039141111 171396110 /nfs/dbraw/zinc/39/61/10/171396110.db2.gz MGPIEJXAMLBJJD-GXTWGEPZSA-N 1 0 220.360 2.492 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])CN1CCc2sccc2C1 ZINC000020072169 171396191 /nfs/dbraw/zinc/39/61/91/171396191.db2.gz JXOZQKLXFSTKNZ-CMPLNLGQSA-N 1 0 238.400 2.480 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nc2cccnc2[nH]1 ZINC000044264087 171397340 /nfs/dbraw/zinc/39/73/40/171397340.db2.gz SSACQHHHIHPHOY-CBAPKCEASA-N 1 0 204.277 2.004 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nncn1C1CCCC1 ZINC000054526422 171398154 /nfs/dbraw/zinc/39/81/54/171398154.db2.gz RNLJJCQYVOAUAB-ONGXEEELSA-N 1 0 222.336 2.439 10 0 BEAERO C[N@H+](C[C@H]1CC1(C)C)[C@@H]1CCCC[C@H]1O ZINC000662346718 412115080 /nfs/dbraw/zinc/11/50/80/412115080.db2.gz DEWWDQMYQNWQBJ-IJLUTSLNSA-N 1 0 211.349 2.268 10 0 BEAERO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)C(C)(C)C ZINC000336742045 171516485 /nfs/dbraw/zinc/51/64/85/171516485.db2.gz RQPRZYCSCYPSSA-JTQLQIEISA-N 1 0 228.380 2.173 10 0 BEAERO CC[C@H]([NH2+]CCc1cnn(C)c1)C(C)(C)C ZINC000310014193 171524005 /nfs/dbraw/zinc/52/40/05/171524005.db2.gz KBTDWWIVDSCOEU-LBPRGKRZSA-N 1 0 223.364 2.377 10 0 BEAERO Cc1cc(C)cc(CNC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000662648438 412255901 /nfs/dbraw/zinc/25/59/01/412255901.db2.gz YCFKEPLBDSBURP-AWEZNQCLSA-N 1 0 248.370 2.293 10 0 BEAERO CCC1(CC)CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662693668 412272741 /nfs/dbraw/zinc/27/27/41/412272741.db2.gz VEYBYJZJHBTZQR-LBPRGKRZSA-N 1 0 238.375 2.025 10 0 BEAERO CC[C@@H]1CN(Cc2cccnc2)[C@@H](CC)C[NH2+]1 ZINC000083360306 171669525 /nfs/dbraw/zinc/66/95/25/171669525.db2.gz BLTDVRMVZJGGNJ-KGLIPLIRSA-N 1 0 233.359 2.044 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000119086131 171703776 /nfs/dbraw/zinc/70/37/76/171703776.db2.gz WNXJHBMDYBWXFB-AAEUAGOBSA-N 1 0 241.331 2.026 10 0 BEAERO CC[C@](O)(C[NH2+]C1CC1)c1ccccc1 ZINC000032010545 171710611 /nfs/dbraw/zinc/71/06/11/171710611.db2.gz LRWDAGBCXWDCNN-ZDUSSCGKSA-N 1 0 205.301 2.036 10 0 BEAERO CCc1cc(N(C)c2ccc(C[NH3+])cc2)ncn1 ZINC000061950715 171761077 /nfs/dbraw/zinc/76/10/77/171761077.db2.gz SKHFVGJBSDGMDZ-UHFFFAOYSA-N 1 0 242.326 2.266 10 0 BEAERO CCc1cc(N[C@@H]2CCC[NH2+]C2)nc(C(C)C)n1 ZINC000045955168 171768912 /nfs/dbraw/zinc/76/89/12/171768912.db2.gz WYSQADGTXRJETO-GFCCVEGCSA-N 1 0 248.374 2.326 10 0 BEAERO CCc1ccc(-c2nc(CC[NH2+]C)no2)cc1 ZINC000049455645 171779731 /nfs/dbraw/zinc/77/97/31/171779731.db2.gz LSPMMNNTTDGQBK-UHFFFAOYSA-N 1 0 231.299 2.061 10 0 BEAERO CCc1ccc(C(CC[NH3+])(OC)OC)cc1 ZINC000057516148 171789726 /nfs/dbraw/zinc/78/97/26/171789726.db2.gz YPGYHONHPSYERR-UHFFFAOYSA-N 1 0 223.316 2.043 10 0 BEAERO CCCc1nccnc1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000663270792 412403445 /nfs/dbraw/zinc/40/34/45/412403445.db2.gz QDVIOCSYKYDZNG-NEPJUHHUSA-N 1 0 248.374 2.229 10 0 BEAERO CCCc1nccnc1NCC1(C)CC[NH2+]CC1 ZINC000663271872 412404475 /nfs/dbraw/zinc/40/44/75/412404475.db2.gz HKKANVSCBKVSMQ-UHFFFAOYSA-N 1 0 248.374 2.231 10 0 BEAERO C[NH2+]C[C@H](C)Nc1ncc(Cl)cc1Cl ZINC000663281614 412409411 /nfs/dbraw/zinc/40/94/11/412409411.db2.gz ZKYKRXASSQNFGV-LURJTMIESA-N 1 0 234.130 2.408 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000225810215 487623347 /nfs/dbraw/zinc/62/33/47/487623347.db2.gz YMBLLNQAQCQWJK-UPJWGTAASA-N 1 0 240.391 2.302 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)o1 ZINC000051724149 171811079 /nfs/dbraw/zinc/81/10/79/171811079.db2.gz APRVYTLTCHIPMU-MNOVXSKESA-N 1 0 223.316 2.235 10 0 BEAERO CCc1ccc(C[NH2+][C@H](C)[C@H](C)CO)cc1 ZINC000125747322 171811635 /nfs/dbraw/zinc/81/16/35/171811635.db2.gz PXBLRNUWVSVHKL-VXGBXAGGSA-N 1 0 221.344 2.356 10 0 BEAERO CCc1ccc(C[C@@]2(C[NH3+])CCOC2)cc1 ZINC000054637716 171814836 /nfs/dbraw/zinc/81/48/36/171814836.db2.gz ZBUSQDXRGGUWIH-CQSZACIVSA-N 1 0 219.328 2.157 10 0 BEAERO CCc1ccc(N(C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000051890134 171815927 /nfs/dbraw/zinc/81/59/27/171815927.db2.gz ZKGSRGIGNXEOOW-CYBMUJFWSA-N 1 0 218.344 2.295 10 0 BEAERO CCc1ccc([C@@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000040942056 171834830 /nfs/dbraw/zinc/83/48/30/171834830.db2.gz DYZHVJWPIDCOLT-CHWSQXEVSA-N 1 0 205.301 2.285 10 0 BEAERO CCc1ccc2c(c1)C[C@]1(C[NH+]=CN1)CC2 ZINC000013743751 171846951 /nfs/dbraw/zinc/84/69/51/171846951.db2.gz BGEMGTGVFRIIRT-AWEZNQCLSA-N 1 0 214.312 2.108 10 0 BEAERO CCc1cccc(N2CC[C@@H]([NH2+]C)C2)c1 ZINC000037241901 171858976 /nfs/dbraw/zinc/85/89/76/171858976.db2.gz KOYGLGJRLRYORC-GFCCVEGCSA-N 1 0 204.317 2.047 10 0 BEAERO CCc1csc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000335579877 171932762 /nfs/dbraw/zinc/93/27/62/171932762.db2.gz JWHZKHWKGQRYST-WCBMZHEXSA-N 1 0 225.361 2.387 10 0 BEAERO CCc1[nH+]c(-c2cccc(F)c2)c(N)n1C ZINC000104912185 171939543 /nfs/dbraw/zinc/93/95/43/171939543.db2.gz FDJKCXGBGFQIOL-UHFFFAOYSA-N 1 0 219.263 2.371 10 0 BEAERO CCc1nc(N2CCC[C@H]2C)sc1C[NH2+]C ZINC000054968919 171996952 /nfs/dbraw/zinc/99/69/52/171996952.db2.gz KRNWIEODZQCFRT-SECBINFHSA-N 1 0 239.388 2.414 10 0 BEAERO CCc1nc([C@@]2(N)CCCc3ccccc32)no1 ZINC000036762962 172004281 /nfs/dbraw/zinc/00/42/81/172004281.db2.gz JMLXXIDKOHDIRN-CQSZACIVSA-N 1 0 243.310 2.171 10 0 BEAERO CCc1nc2c(N)c(Cl)ccn2c1C ZINC000074376117 172009109 /nfs/dbraw/zinc/00/91/09/172009109.db2.gz IPJCHTYEFKRZJC-UHFFFAOYSA-N 1 0 209.680 2.441 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1ccccc1OC ZINC000043098872 172029164 /nfs/dbraw/zinc/02/91/64/172029164.db2.gz ZHZWYTVUOWFOIN-GFCCVEGCSA-N 1 0 245.326 2.002 10 0 BEAERO CCc1nccn1[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043124267 172029534 /nfs/dbraw/zinc/02/95/34/172029534.db2.gz OIZROEMEJNARAH-SKDRFNHKSA-N 1 0 235.356 2.444 10 0 BEAERO CCc1nccn1[C@@H]1CCCC[C@H]1[NH2+]C ZINC000044037466 172029740 /nfs/dbraw/zinc/02/97/40/172029740.db2.gz YJFRFDGJGUAAJU-GHMZBOCLSA-N 1 0 207.321 2.149 10 0 BEAERO CCc1nccn1[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107472 172029991 /nfs/dbraw/zinc/02/99/91/172029991.db2.gz ZSBGBWXDDSALRC-BXKDBHETSA-N 1 0 235.356 2.444 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1cccc(F)c1 ZINC000042973270 172030088 /nfs/dbraw/zinc/03/00/88/172030088.db2.gz DIXSPQDYOQQGGN-GFCCVEGCSA-N 1 0 233.290 2.133 10 0 BEAERO CCc1nn(-c2ccccc2)c(CC)c1C[NH3+] ZINC000092319509 172037995 /nfs/dbraw/zinc/03/79/95/172037995.db2.gz RLWSSFFFOZRAQD-UHFFFAOYSA-N 1 0 229.327 2.456 10 0 BEAERO CCc1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000037605827 172083375 /nfs/dbraw/zinc/08/33/75/172083375.db2.gz FBTXIZLFKSKCNQ-LLVKDONJSA-N 1 0 231.299 2.265 10 0 BEAERO CCc1oc2ccccc2c1CC(N)=[NH2+] ZINC000039100746 172112448 /nfs/dbraw/zinc/11/24/48/172112448.db2.gz AVDBMRDXPBRMCJ-UHFFFAOYSA-N 1 0 202.257 2.474 10 0 BEAERO CCn1c2ccc([C@H]([NH3+])C(C)C)cc2oc1=O ZINC000051363266 172133085 /nfs/dbraw/zinc/13/30/85/172133085.db2.gz ZTLGYQQAYPWGKY-GFCCVEGCSA-N 1 0 234.299 2.270 10 0 BEAERO CCn1c(C[NH2+]C)nc2cc(C)ccc21 ZINC000037438129 172144189 /nfs/dbraw/zinc/14/41/89/172144189.db2.gz NDVTYJJFVKEDMI-UHFFFAOYSA-N 1 0 203.289 2.084 10 0 BEAERO CCn1c2cc(F)ccc2nc1C[C@H](C)[NH3+] ZINC000052124630 172144570 /nfs/dbraw/zinc/14/45/70/172144570.db2.gz PPNGJEJCWKZMNK-QMMMGPOBSA-N 1 0 221.279 2.085 10 0 BEAERO CCn1cc(C2([NH3+])CCCCCC2)cn1 ZINC000043467684 172157856 /nfs/dbraw/zinc/15/78/56/172157856.db2.gz JVJPJGWKVKPTQB-UHFFFAOYSA-N 1 0 207.321 2.411 10 0 BEAERO CCn1cc(C[C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000050540853 172176701 /nfs/dbraw/zinc/17/67/01/172176701.db2.gz GJRRSZAUBSKVRA-OLZOCXBDSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000050540854 172176982 /nfs/dbraw/zinc/17/69/82/172176982.db2.gz GJRRSZAUBSKVRA-QWHCGFSZSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@@H]([NH3+])c2cccc(C)c2)cn1 ZINC000050542500 172177105 /nfs/dbraw/zinc/17/71/05/172177105.db2.gz QHWXCIVEFHYSQK-CQSZACIVSA-N 1 0 229.327 2.454 10 0 BEAERO CCn1cc(C[C@@H]2CCCC[C@@H]2[NH2+]C)cn1 ZINC000050540748 172177287 /nfs/dbraw/zinc/17/72/87/172177287.db2.gz BEFRZMWITCQICP-STQMWFEESA-N 1 0 221.348 2.224 10 0 BEAERO CCn1cc(C[C@@H]([NH3+])Cc2ccccc2C)cn1 ZINC000050543184 172177511 /nfs/dbraw/zinc/17/75/11/172177511.db2.gz VPMVNZFLMLBZPH-OAHLLOKOSA-N 1 0 243.354 2.324 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000085609260 172207730 /nfs/dbraw/zinc/20/77/30/172207730.db2.gz FGAYPSWLSFLPJZ-ZDUSSCGKSA-N 1 0 222.332 2.167 10 0 BEAERO CCn1cccc1C[NH2+]CC1(CCOC)CC1 ZINC000234189431 172208202 /nfs/dbraw/zinc/20/82/02/172208202.db2.gz XOIOUJCNZUNBMM-UHFFFAOYSA-N 1 0 236.359 2.414 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000085608582 172208773 /nfs/dbraw/zinc/20/87/73/172208773.db2.gz SNQABDQTSKTGMB-WCQYABFASA-N 1 0 222.332 2.165 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000336722871 172209839 /nfs/dbraw/zinc/20/98/39/172209839.db2.gz YJGOXWZACHQQRV-OLZOCXBDSA-N 1 0 236.359 2.149 10 0 BEAERO CCn1ccnc1C[C@H]([NH3+])c1ccccc1 ZINC000061881032 172225611 /nfs/dbraw/zinc/22/56/11/172225611.db2.gz YONHMCBIBIUZJZ-LBPRGKRZSA-N 1 0 215.300 2.146 10 0 BEAERO CCn1cc[nH+]c1NCc1cccc(C)n1 ZINC000051576867 172227786 /nfs/dbraw/zinc/22/77/86/172227786.db2.gz GVDVIDFNTDDCOY-UHFFFAOYSA-N 1 0 216.288 2.219 10 0 BEAERO CCn1ccnc1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000011735177 172228806 /nfs/dbraw/zinc/22/88/06/172228806.db2.gz UMVLGGRUPVUUOR-NSHDSACASA-N 1 0 219.263 2.090 10 0 BEAERO CN(C(=O)C[NH2+]CCC1CCCCC1)C1CC1 ZINC000049305030 172310448 /nfs/dbraw/zinc/31/04/48/172310448.db2.gz ZVFMMPMCKMEOJW-UHFFFAOYSA-N 1 0 238.375 2.167 10 0 BEAERO CN(C(=O)OCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000054965263 172325448 /nfs/dbraw/zinc/32/54/48/172325448.db2.gz QJBVAVPQTNRWIH-ZDUSSCGKSA-N 1 0 248.326 2.355 10 0 BEAERO CN(C(=O)c1cccc(C[NH3+])c1)c1ccccc1 ZINC000021965680 172341393 /nfs/dbraw/zinc/34/13/93/172341393.db2.gz RHFHGYOBJBEJLP-UHFFFAOYSA-N 1 0 240.306 2.422 10 0 BEAERO CN(C)C[C@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000071561442 172491073 /nfs/dbraw/zinc/49/10/73/172491073.db2.gz SYTMFKSPUVMFJZ-SECBINFHSA-N 1 0 247.169 2.425 10 0 BEAERO CN(CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000050004408 172662398 /nfs/dbraw/zinc/66/23/98/172662398.db2.gz JOKAQFAONJMQLX-UHFFFAOYSA-N 1 0 222.307 2.262 10 0 BEAERO CN(Cc1ccccc1)[C@@H](C[NH3+])c1ccccn1 ZINC000019274351 172871098 /nfs/dbraw/zinc/87/10/98/172871098.db2.gz ZXYFMKDZLBSZMS-HNNXBMFYSA-N 1 0 241.338 2.213 10 0 BEAERO CN(Cc1ccccc1)c1cc[nH+]cc1N ZINC000019763662 172873122 /nfs/dbraw/zinc/87/31/22/172873122.db2.gz FFHKEEIUFIETRT-UHFFFAOYSA-N 1 0 213.284 2.300 10 0 BEAERO CN(Cc1ccco1)C[C@@H]([NH3+])Cc1ccccc1 ZINC000035702369 172890378 /nfs/dbraw/zinc/89/03/78/172890378.db2.gz OZSBNCXYZUNHOL-AWEZNQCLSA-N 1 0 244.338 2.281 10 0 BEAERO CN1CCC([NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000336771304 172997906 /nfs/dbraw/zinc/99/79/06/172997906.db2.gz ULEZIZFQPPZNCD-WCQYABFASA-N 1 0 228.355 2.199 10 0 BEAERO C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000070794242 173002086 /nfs/dbraw/zinc/00/20/86/173002086.db2.gz KWKKMAWHMMLZRR-UHFFFAOYSA-N 1 0 231.299 2.009 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1CNc1ccnc(Cl)n1 ZINC000051850212 173004317 /nfs/dbraw/zinc/00/43/17/173004317.db2.gz NPYJVSUXZWEMBS-SECBINFHSA-N 1 0 240.738 2.026 10 0 BEAERO CN1CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000044561555 173004510 /nfs/dbraw/zinc/00/45/10/173004510.db2.gz KDVZKJQWSYPQOZ-UONOGXRCSA-N 1 0 222.376 2.417 10 0 BEAERO CN1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000044562066 173004622 /nfs/dbraw/zinc/00/46/22/173004622.db2.gz RAKFFVFXFBSMFM-CQSZACIVSA-N 1 0 236.334 2.400 10 0 BEAERO C[N@@H+]1CCCC[C@@]12CCN(c1cccnc1)C2 ZINC000034117466 173007809 /nfs/dbraw/zinc/00/78/09/173007809.db2.gz UYQZDLGBFGTWLR-AWEZNQCLSA-N 1 0 231.343 2.146 10 0 BEAERO C[N@@H+]1CCCC[C@H]1COc1ccc(F)cc1N ZINC000020352134 173009823 /nfs/dbraw/zinc/00/98/23/173009823.db2.gz AOJDLKUSJHKFCX-NSHDSACASA-N 1 0 238.306 2.271 10 0 BEAERO C[N@@H+]1CCCC[C@H]1c1[nH]nc2c1CCCCN2 ZINC000003698246 173010478 /nfs/dbraw/zinc/01/04/78/173010478.db2.gz DZOXZMRPHKDGBV-NSHDSACASA-N 1 0 234.347 2.315 10 0 BEAERO CN1CCC[N@H+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000336278245 173015456 /nfs/dbraw/zinc/01/54/56/173015456.db2.gz FCMJTBRMNCETKR-LBPRGKRZSA-N 1 0 246.345 2.449 10 0 BEAERO C[N@@H+]1CCC[C@@H]1[Si](C)(C)c1ccccc1 ZINC000196105849 173036486 /nfs/dbraw/zinc/03/64/86/173036486.db2.gz ILNKICNJQHSMAX-ZDUSSCGKSA-N 1 0 219.404 2.235 10 0 BEAERO CN1CCC[C@H](C[NH3+])[C@H]1c1ccccc1F ZINC000082363306 173041732 /nfs/dbraw/zinc/04/17/32/173041732.db2.gz FYNALUKBINOCMK-MFKMUULPSA-N 1 0 222.307 2.167 10 0 BEAERO CN(c1ccccc1C=O)[C@H]1CCC[N@H+](C)C1 ZINC000053245713 173043800 /nfs/dbraw/zinc/04/38/00/173043800.db2.gz MPXFQAFOJWJIDN-ZDUSSCGKSA-N 1 0 232.327 2.030 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072187552 173048404 /nfs/dbraw/zinc/04/84/04/173048404.db2.gz AXWBMIPPHZLKTN-NSHDSACASA-N 1 0 215.300 2.324 10 0 BEAERO C[N@@H+]1CCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC000106911548 173053494 /nfs/dbraw/zinc/05/34/94/173053494.db2.gz YJKDOQIVCGBTEH-ZDUSSCGKSA-N 1 0 236.359 2.087 10 0 BEAERO C[N@@H+]1CCC[C@H]1CNc1ncnc2sccc21 ZINC000049099967 173055475 /nfs/dbraw/zinc/05/54/75/173055475.db2.gz YPCLZSCQQKLPJK-VIFPVBQESA-N 1 0 248.355 2.197 10 0 BEAERO C[N@@H+]1CCC[C@H]1CNc1cnc2ccccc2n1 ZINC000049100022 173057035 /nfs/dbraw/zinc/05/70/35/173057035.db2.gz YYTZEACYHPMHAK-NSHDSACASA-N 1 0 242.326 2.136 10 0 BEAERO CN1CC[NH+]([C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000090505075 173093222 /nfs/dbraw/zinc/09/32/22/173093222.db2.gz VJDPDWMXGFSDAW-OAHLLOKOSA-N 1 0 246.354 2.017 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2cc(F)ccc2F)C1 ZINC000061984564 173125395 /nfs/dbraw/zinc/12/53/95/173125395.db2.gz ZHISCPLMJVOUFC-SECBINFHSA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccc(N)cc2Cl)C1 ZINC000042545183 173154572 /nfs/dbraw/zinc/15/45/72/173154572.db2.gz RGKOJWKJJNZBKB-VIFPVBQESA-N 1 0 225.723 2.038 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ncccc2C(F)(F)F)C1 ZINC000042548229 173155617 /nfs/dbraw/zinc/15/56/17/173155617.db2.gz UKPHLJFMPICURU-QMMMGPOBSA-N 1 0 245.248 2.216 10 0 BEAERO C[N@@H+]1CC[C@](O)(c2ccc(C(F)(F)F)cc2)C1 ZINC000061987376 173165993 /nfs/dbraw/zinc/16/59/93/173165993.db2.gz ILXXCJKLHOZPDA-LLVKDONJSA-N 1 0 245.244 2.229 10 0 BEAERO C[N@@H+]1CCc2c(O)ccc(Cl)c2CC1 ZINC000039613347 173168351 /nfs/dbraw/zinc/16/83/51/173168351.db2.gz ASRNLKLRIWATDD-UHFFFAOYSA-N 1 0 211.692 2.076 10 0 BEAERO C[N@@H+]1CCc2nc(NC(C)(C)C)sc2C1 ZINC000061714624 173175001 /nfs/dbraw/zinc/17/50/01/173175001.db2.gz ZAXSZIQIGWWUET-UHFFFAOYSA-N 1 0 225.361 2.341 10 0 BEAERO CN1Cc2c(cc(Cl)cc2Cl)[C@H]1C[NH3+] ZINC000082702854 173200336 /nfs/dbraw/zinc/20/03/36/173200336.db2.gz PSHCKSGTMGYJOU-SNVBAGLBSA-N 1 0 231.126 2.439 10 0 BEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNc1nccs1)C2 ZINC000038019307 173205943 /nfs/dbraw/zinc/20/59/43/173205943.db2.gz XCLLLAFGEQFQPU-FGWVZKOKSA-N 1 0 237.372 2.428 10 0 BEAERO CN1c2ccccc2[C@@]2(C)CC[NH2+][C@@]12C ZINC000032197403 173208705 /nfs/dbraw/zinc/20/87/05/173208705.db2.gz CGGSLHUYWLWRBD-OLZOCXBDSA-N 1 0 202.301 2.104 10 0 BEAERO CN1c2ccccc2[C@]2(C)CC[NH2+][C@@]12C ZINC000032197407 173208965 /nfs/dbraw/zinc/20/89/65/173208965.db2.gz CGGSLHUYWLWRBD-STQMWFEESA-N 1 0 202.301 2.104 10 0 BEAERO CNC(=O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000044987557 173261037 /nfs/dbraw/zinc/26/10/37/173261037.db2.gz YAJSHTWTERKQBD-YNEHKIRRSA-N 1 0 240.391 2.173 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000042560563 173295375 /nfs/dbraw/zinc/29/53/75/173295375.db2.gz BVZLURXTJFSSKV-NWDGAFQWSA-N 1 0 234.343 2.089 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000042560954 173295707 /nfs/dbraw/zinc/29/57/07/173295707.db2.gz NMKBFKTZOVMYMT-CHWSQXEVSA-N 1 0 248.370 2.397 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000061317149 173317478 /nfs/dbraw/zinc/31/74/78/173317478.db2.gz YQACQSUACJCKKD-WDEREUQCSA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)CCCc1ccccc1 ZINC000061300541 173317538 /nfs/dbraw/zinc/31/75/38/173317538.db2.gz LJJHTGJJZSLEQO-UHFFFAOYSA-N 1 0 248.370 2.076 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(F)c(C)c1 ZINC000061319386 173318384 /nfs/dbraw/zinc/31/83/84/173318384.db2.gz LYAHEAGQRBQBAC-UHFFFAOYSA-N 1 0 224.279 2.071 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(Cl)c1 ZINC000061300190 173319796 /nfs/dbraw/zinc/31/97/96/173319796.db2.gz HZTXPYDLZCRUJY-UHFFFAOYSA-N 1 0 226.707 2.277 10 0 BEAERO C[NH2+]C(C)(C)c1nc2cc(C)ccc2n1C ZINC000061149793 173321056 /nfs/dbraw/zinc/32/10/56/173321056.db2.gz XXZQTEJFDLIFOE-UHFFFAOYSA-N 1 0 217.316 2.336 10 0 BEAERO C[NH2+]C(C)(C)c1nc2c(cccc2F)n1C ZINC000061149839 173321233 /nfs/dbraw/zinc/32/12/33/173321233.db2.gz MYFDINQMWOLGCW-UHFFFAOYSA-N 1 0 221.279 2.167 10 0 BEAERO C[NH2+]C1CCN(CCc2cccc(F)c2)CC1 ZINC000036779622 173322909 /nfs/dbraw/zinc/32/29/09/173322909.db2.gz JDIKSODJPKLZSN-UHFFFAOYSA-N 1 0 236.334 2.052 10 0 BEAERO C[NH2+]CC(=O)c1ccc(Br)cc1C ZINC000082550312 173336304 /nfs/dbraw/zinc/33/63/04/173336304.db2.gz JEEJJYAVLDSBGH-UHFFFAOYSA-N 1 0 242.116 2.160 10 0 BEAERO C[NH2+]CC(C)(C)Oc1cccc(F)c1F ZINC000062654245 173336552 /nfs/dbraw/zinc/33/65/52/173336552.db2.gz LASORJFQHRHTJP-UHFFFAOYSA-N 1 0 215.243 2.342 10 0 BEAERO C[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000053738370 173337682 /nfs/dbraw/zinc/33/76/82/173337682.db2.gz CNLFRKDSVVQFRS-UHFFFAOYSA-N 1 0 223.291 2.093 10 0 BEAERO C[NH2+]CC1(Cc2cscn2)CCCC1 ZINC000054655436 173337779 /nfs/dbraw/zinc/33/77/79/173337779.db2.gz RQXWZPFLAHMJAZ-UHFFFAOYSA-N 1 0 210.346 2.465 10 0 BEAERO C[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000053739715 173338161 /nfs/dbraw/zinc/33/81/61/173338161.db2.gz BXBBGSHFPZLJNT-UHFFFAOYSA-N 1 0 247.338 2.489 10 0 BEAERO C[NH2+]CC1CCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC000237313036 173338225 /nfs/dbraw/zinc/33/82/25/173338225.db2.gz OLOLFCUFXOMZOE-GFCCVEGCSA-N 1 0 240.391 2.127 10 0 BEAERO C[NH2+]CCC(=O)N(C)c1ccc(CC(C)C)cc1 ZINC000077424857 173339344 /nfs/dbraw/zinc/33/93/44/173339344.db2.gz NIRIBIWIBAQWOB-UHFFFAOYSA-N 1 0 248.370 2.457 10 0 BEAERO C[NH2+]CCCCOc1ccc(OC)cc1 ZINC000029231311 173345808 /nfs/dbraw/zinc/34/58/08/173345808.db2.gz AWLBBNFGRNTGLG-UHFFFAOYSA-N 1 0 209.289 2.074 10 0 BEAERO C[NH2+]CCCCc1ccc2c(c1)OCCCO2 ZINC000036163441 173345849 /nfs/dbraw/zinc/34/58/49/173345849.db2.gz DXWWNRCLFSRHKP-UHFFFAOYSA-N 1 0 235.327 2.390 10 0 BEAERO C[NH2+]CCCOCc1ccc(F)cc1F ZINC000077306965 173349440 /nfs/dbraw/zinc/34/94/40/173349440.db2.gz MDACCRTVIORUHA-UHFFFAOYSA-N 1 0 215.243 2.091 10 0 BEAERO C[NH2+]CCCOc1c(OC)cc(C)cc1OC ZINC000035679104 173349616 /nfs/dbraw/zinc/34/96/16/173349616.db2.gz FMZVTUYDIJMGGE-UHFFFAOYSA-N 1 0 239.315 2.001 10 0 BEAERO C[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000066252790 173350420 /nfs/dbraw/zinc/35/04/20/173350420.db2.gz FHVZMYFHYNYNKX-UHFFFAOYSA-N 1 0 206.264 2.459 10 0 BEAERO C[NH2+]CCCc1nc2cc(C)ccc2[nH]1 ZINC000037288929 173351641 /nfs/dbraw/zinc/35/16/41/173351641.db2.gz ZTGGPIZZTBMGAZ-UHFFFAOYSA-N 1 0 203.289 2.023 10 0 BEAERO C[NH2+]CCOCCc1cc(C)c(C)cc1C ZINC000077332736 173357006 /nfs/dbraw/zinc/35/70/06/173357006.db2.gz FOBWJJSVWCEODU-UHFFFAOYSA-N 1 0 221.344 2.390 10 0 BEAERO C[NH2+]CCOCc1cc(C)c(C)cc1OC ZINC000077336063 173357064 /nfs/dbraw/zinc/35/70/64/173357064.db2.gz OSZYNJBBPYXNOO-UHFFFAOYSA-N 1 0 223.316 2.048 10 0 BEAERO C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000014628585 173357487 /nfs/dbraw/zinc/35/74/87/173357487.db2.gz SSCLWCUGNMXOMW-UHFFFAOYSA-N 1 0 203.644 2.077 10 0 BEAERO C[NH2+]CCc1cc(F)ccc1Br ZINC000053301905 173359557 /nfs/dbraw/zinc/35/95/57/173359557.db2.gz XNSWJIIYPWPPEE-UHFFFAOYSA-N 1 0 232.096 2.350 10 0 BEAERO C[NH2+]CCc1ccsc1Br ZINC000083303979 173360344 /nfs/dbraw/zinc/36/03/44/173360344.db2.gz HVUPZJVMUYSCNQ-UHFFFAOYSA-N 1 0 220.135 2.273 10 0 BEAERO C[NH2+]CCc1ccccc1C(F)(F)F ZINC000055234172 173360466 /nfs/dbraw/zinc/36/04/66/173360466.db2.gz VOGNEAQSRHVRKK-UHFFFAOYSA-N 1 0 203.207 2.467 10 0 BEAERO C[NH2+]C[C@@H](C(C)C)n1cnc2ccccc21 ZINC000052576511 173362500 /nfs/dbraw/zinc/36/25/00/173362500.db2.gz ZKAHJYHVVSIECO-ZDUSSCGKSA-N 1 0 217.316 2.453 10 0 BEAERO C[NH2+]C[C@@H](C)CCOc1ccccc1OC ZINC000041242906 173364222 /nfs/dbraw/zinc/36/42/22/173364222.db2.gz BFGOPHYQCHRHEE-NSHDSACASA-N 1 0 223.316 2.320 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000052647206 173364940 /nfs/dbraw/zinc/36/49/40/173364940.db2.gz NVNWRLCRDMWASW-MRVPVSSYSA-N 1 0 244.132 2.436 10 0 BEAERO C[NH2+]C[C@@H](O)c1cc2cccc(Cl)c2o1 ZINC000083048811 173365569 /nfs/dbraw/zinc/36/55/69/173365569.db2.gz AHWKCRFMJCXXSR-SECBINFHSA-N 1 0 225.675 2.339 10 0 BEAERO C[NH2+]C[C@@H](O)c1cc(Br)ccc1C ZINC000083256294 173365893 /nfs/dbraw/zinc/36/58/93/173365893.db2.gz DBHRGLWUAREWMW-SNVBAGLBSA-N 1 0 244.132 2.010 10 0 BEAERO C[NH2+]C[C@@H](O)c1csc2ccccc12 ZINC000034268735 173366065 /nfs/dbraw/zinc/36/60/65/173366065.db2.gz QKEWWXURSXLWCT-SNVBAGLBSA-N 1 0 207.298 2.154 10 0 BEAERO C[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000011802969 173366227 /nfs/dbraw/zinc/36/62/27/173366227.db2.gz HUPXFJSEVJMGCV-GFCCVEGCSA-N 1 0 207.317 2.237 10 0 BEAERO C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000039978698 173366896 /nfs/dbraw/zinc/36/68/96/173366896.db2.gz DASBTNVHEOVJTR-AWEZNQCLSA-N 1 0 234.343 2.052 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2C)C1 ZINC000053012358 173370390 /nfs/dbraw/zinc/37/03/90/173370390.db2.gz HPMDRVFOQINYAA-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1ccc(F)c(F)c1 ZINC000054589526 173372674 /nfs/dbraw/zinc/37/26/74/173372674.db2.gz QWENKPVCPFLGHD-JOYOIKCWSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@H](C(C)C)n1nc(C)c(C)c1C ZINC000052591873 173373195 /nfs/dbraw/zinc/37/31/95/173373195.db2.gz PRSOTUPHBHIGCB-GFCCVEGCSA-N 1 0 209.337 2.225 10 0 BEAERO C[NH2+]C[C@H](C)c1ccc(OC)c(OC)c1 ZINC000034224303 173376099 /nfs/dbraw/zinc/37/60/99/173376099.db2.gz SRQWASKTEGPBJR-VIFPVBQESA-N 1 0 209.289 2.027 10 0 BEAERO C[NH2+]C[C@H](C)n1cnc2cc(C)c(C)cc21 ZINC000052575702 173376141 /nfs/dbraw/zinc/37/61/41/173376141.db2.gz AEKJJAMEIPLKMC-NSHDSACASA-N 1 0 217.316 2.434 10 0 BEAERO C[NH2+]C[C@H](C)N1CCc2sccc2[C@@H]1C ZINC000052505238 173376183 /nfs/dbraw/zinc/37/61/83/173376183.db2.gz ITEIEMCFRSAIAB-UWVGGRQHSA-N 1 0 224.373 2.275 10 0 BEAERO C[NH2+]C[C@H](C)Oc1ccc(F)cc1Cl ZINC000052645718 173376243 /nfs/dbraw/zinc/37/62/43/173376243.db2.gz LVTJWEPEKLNAMS-ZETCQYMHSA-N 1 0 217.671 2.466 10 0 BEAERO C[NH2+]C[C@H](O)CSc1ccc(C(C)C)cc1 ZINC000019686905 173377072 /nfs/dbraw/zinc/37/70/72/173377072.db2.gz HKJBMTVLKALBOD-LBPRGKRZSA-N 1 0 239.384 2.482 10 0 BEAERO C[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000055027324 173377132 /nfs/dbraw/zinc/37/71/32/173377132.db2.gz CPSMZZCHIVFDQF-ZDUSSCGKSA-N 1 0 201.269 2.093 10 0 BEAERO C[NH2+]C[C@H](O)c1cc2cccc(Cl)c2o1 ZINC000083048810 173377478 /nfs/dbraw/zinc/37/74/78/173377478.db2.gz AHWKCRFMJCXXSR-VIFPVBQESA-N 1 0 225.675 2.339 10 0 BEAERO C[NH2+]C[C@H](c1ccccc1)N(C)C[C@@H]1CCCO1 ZINC000052541108 173377834 /nfs/dbraw/zinc/37/78/34/173377834.db2.gz LPZDKXSVEKKONF-LSDHHAIUSA-N 1 0 248.370 2.058 10 0 BEAERO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)C(C)(C)C ZINC000122572497 173380252 /nfs/dbraw/zinc/38/02/52/173380252.db2.gz NQKHFUGBLPEUSK-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000011892455 173382241 /nfs/dbraw/zinc/38/22/41/173382241.db2.gz BPFOZWFKGXEVNY-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cnc3ccccc3c2)C1 ZINC000055142208 173382963 /nfs/dbraw/zinc/38/29/63/173382963.db2.gz FHUAUAPGDPSVNM-GFCCVEGCSA-N 1 0 241.338 2.281 10 0 BEAERO C[NH2+]C[C@](C)(O)c1cc(Cl)ccc1Cl ZINC000055032693 173383302 /nfs/dbraw/zinc/38/33/02/173383302.db2.gz VBZFIZIJAUNWAO-JTQLQIEISA-N 1 0 234.126 2.420 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccccc1C(F)(F)F ZINC000055032689 173383490 /nfs/dbraw/zinc/38/34/90/173383490.db2.gz LXGMAAFHRACVKJ-JTQLQIEISA-N 1 0 233.233 2.132 10 0 BEAERO C[NH2+]C[C@](C)(O)Cc1ccc(C(C)(C)C)cc1 ZINC000019684553 173383588 /nfs/dbraw/zinc/38/35/88/173383588.db2.gz UYOWEDIRSJQYQZ-OAHLLOKOSA-N 1 0 235.371 2.497 10 0 BEAERO C[NH2+]Cc1c(C)nc(-c2ccco2)nc1C ZINC000054854008 173383667 /nfs/dbraw/zinc/38/36/67/173383667.db2.gz MLBXZPFYPMCGHC-UHFFFAOYSA-N 1 0 217.272 2.073 10 0 BEAERO C[NH2+]Cc1c(C)nc(C(C)(C)C)nc1C ZINC000054854047 173383909 /nfs/dbraw/zinc/38/39/09/173383909.db2.gz OOUVANBZUBYFAT-UHFFFAOYSA-N 1 0 207.321 2.110 10 0 BEAERO C[NH2+]Cc1c(Cl)cccc1-n1cccn1 ZINC000034825194 173385280 /nfs/dbraw/zinc/38/52/80/173385280.db2.gz DRDOUCZFZGOECW-UHFFFAOYSA-N 1 0 221.691 2.245 10 0 BEAERO C[NH2+]Cc1cc(C)nc(CCc2ccccc2)n1 ZINC000054831037 173385751 /nfs/dbraw/zinc/38/57/51/173385751.db2.gz LJGXYQCGWCQANE-UHFFFAOYSA-N 1 0 241.338 2.290 10 0 BEAERO C[NH2+]Cc1cc(C)nc(-c2ccccc2OC)n1 ZINC000054830850 173386248 /nfs/dbraw/zinc/38/62/48/173386248.db2.gz OJBNTQMNLVZRBL-UHFFFAOYSA-N 1 0 243.310 2.180 10 0 BEAERO C[NH2+]Cc1cc2ccccc2nc1N(C)C ZINC000034824274 173388238 /nfs/dbraw/zinc/38/82/38/173388238.db2.gz YESJIBHERJIHFQ-UHFFFAOYSA-N 1 0 215.300 2.020 10 0 BEAERO C[NH2+]Cc1ccc(-n2nnc3ccccc32)cc1 ZINC000034825407 173388535 /nfs/dbraw/zinc/38/85/35/173388535.db2.gz OFOZOPKLFIVAEU-UHFFFAOYSA-N 1 0 238.294 2.140 10 0 BEAERO C[NH2+]Cc1ccc(O[C@H](C)c2ccccc2)nn1 ZINC000051526124 173388627 /nfs/dbraw/zinc/38/86/27/173388627.db2.gz IHLCVNRTJNMYMC-LLVKDONJSA-N 1 0 243.310 2.336 10 0 BEAERO C[NH2+]Cc1ccc(OCCCn2ccnc2)cc1 ZINC000049327139 173388903 /nfs/dbraw/zinc/38/89/03/173388903.db2.gz DUDGKPZOSVOFRJ-UHFFFAOYSA-N 1 0 245.326 2.072 10 0 BEAERO C[NH2+]Cc1ccc(OCCOC2CCC2)cc1 ZINC000052595482 173388964 /nfs/dbraw/zinc/38/89/64/173388964.db2.gz XXHOBZMSURTYRX-UHFFFAOYSA-N 1 0 235.327 2.354 10 0 BEAERO C[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000011920616 173388995 /nfs/dbraw/zinc/38/89/95/173388995.db2.gz YYAJHBPONDSZOP-UHFFFAOYSA-N 1 0 230.105 2.177 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)C2[C@@H]3CCC[C@H]23)c1 ZINC000131219896 173389572 /nfs/dbraw/zinc/38/95/72/173389572.db2.gz ZPQHURIYJRZYEG-PBWFPOADSA-N 1 0 244.338 2.391 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)c1ccccn1 ZINC000036280759 173390060 /nfs/dbraw/zinc/39/00/60/173390060.db2.gz VBXBDIXAOSXLNW-UHFFFAOYSA-N 1 0 241.294 2.053 10 0 BEAERO C[NH2+]Cc1ccccc1N1CC[C@@H](C)C1 ZINC000040719248 173390200 /nfs/dbraw/zinc/39/02/00/173390200.db2.gz DHHYLRALDCSQDY-LLVKDONJSA-N 1 0 204.317 2.252 10 0 BEAERO C[NH2+]Cc1ccccc1[C@H](O)c1ccccc1 ZINC000082293932 173390407 /nfs/dbraw/zinc/39/04/07/173390407.db2.gz OOJAOGKXAKBVSY-OAHLLOKOSA-N 1 0 227.307 2.488 10 0 BEAERO C[NH2+]Cc1ccccc1N(C)[C@@H]1CCSC1 ZINC000037175453 173390445 /nfs/dbraw/zinc/39/04/45/173390445.db2.gz QJNVIEPNBCVXKQ-GFCCVEGCSA-N 1 0 236.384 2.348 10 0 BEAERO C[NH2+]Cc1ccccc1COCCOC(C)C ZINC000052627641 173390572 /nfs/dbraw/zinc/39/05/72/173390572.db2.gz KPFAHQFHZJYFHD-UHFFFAOYSA-N 1 0 237.343 2.348 10 0 BEAERO C[NH2+]Cc1ccccc1N(CCO)C1CCCC1 ZINC000042512122 173390849 /nfs/dbraw/zinc/39/08/49/173390849.db2.gz KCKJIUAHZJWTCP-UHFFFAOYSA-N 1 0 248.370 2.147 10 0 BEAERO C[NH2+]Cc1ccoc1CN(C)Cc1ccccn1 ZINC000052478784 173390987 /nfs/dbraw/zinc/39/09/87/173390987.db2.gz IDYWFNXFRBJLEC-UHFFFAOYSA-N 1 0 245.326 2.026 10 0 BEAERO C[NH2+]Cc1cccnc1N1Cc2ccccc2C1 ZINC000051398536 173391274 /nfs/dbraw/zinc/39/12/74/173391274.db2.gz PNQIKUQNGYZOSK-UHFFFAOYSA-N 1 0 239.322 2.321 10 0 BEAERO C[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000076792175 173391333 /nfs/dbraw/zinc/39/13/33/173391333.db2.gz ZOWJPCRQOLTWBX-UHFFFAOYSA-N 1 0 230.098 2.361 10 0 BEAERO C[NH2+]Cc1cn(C2CCCCC2)nc1C ZINC000040538505 173391535 /nfs/dbraw/zinc/39/15/35/173391535.db2.gz IZGSXKOYOHYFFG-UHFFFAOYSA-N 1 0 207.321 2.416 10 0 BEAERO C[NH2+]Cc1ccnc(-c2cccc(F)c2)n1 ZINC000054791196 173391598 /nfs/dbraw/zinc/39/15/98/173391598.db2.gz UBEWQJWHGPFNPD-UHFFFAOYSA-N 1 0 217.247 2.002 10 0 BEAERO C[NH2+]Cc1cccnc1N(C)Cc1ccco1 ZINC000051443500 173391777 /nfs/dbraw/zinc/39/17/77/173391777.db2.gz OXWAKOHIHXTKOV-UHFFFAOYSA-N 1 0 231.299 2.030 10 0 BEAERO C[NH2+]Cc1cnc(-c2ccc(O)cc2)s1 ZINC000040996942 173391997 /nfs/dbraw/zinc/39/19/97/173391997.db2.gz IPARQRNLJALSED-UHFFFAOYSA-N 1 0 220.297 2.235 10 0 BEAERO C[NH2+]Cc1cnc([C@H]2CCC[C@H](C)C2)nc1 ZINC000054855483 173392064 /nfs/dbraw/zinc/39/20/64/173392064.db2.gz DVQHRLRSCWARSX-JQWIXIFHSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1cnc(N2CCCC[C@@H]2C)s1 ZINC000054900195 173392108 /nfs/dbraw/zinc/39/21/08/173392108.db2.gz BCUPZJBFWDUGNQ-VIFPVBQESA-N 1 0 225.361 2.241 10 0 BEAERO C[NH2+]Cc1coc(Cn2nc(C)c(C)c2C)c1 ZINC000052591493 173392882 /nfs/dbraw/zinc/39/28/82/173392882.db2.gz NFYVCPFCOZTUDL-UHFFFAOYSA-N 1 0 233.315 2.169 10 0 BEAERO C[NH2+]Cc1csc(N2CCCC[C@@H]2C)n1 ZINC000062214901 173392923 /nfs/dbraw/zinc/39/29/23/173392923.db2.gz XWSFFTAZOSAHKL-VIFPVBQESA-N 1 0 225.361 2.241 10 0 BEAERO C[NH2+]Cc1csc(Cc2ccccc2OC)n1 ZINC000040999601 173393180 /nfs/dbraw/zinc/39/31/80/173393180.db2.gz LOYXACOOJXCBNQ-UHFFFAOYSA-N 1 0 248.351 2.462 10 0 BEAERO C[NH2+]Cc1nc(CN2CCCC[C@H]2C)cs1 ZINC000052378457 173394613 /nfs/dbraw/zinc/39/46/13/173394613.db2.gz ZHEOCNFGPSVBAI-SNVBAGLBSA-N 1 0 239.388 2.237 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(C)s2)c[nH]1 ZINC000036877204 173395849 /nfs/dbraw/zinc/39/58/49/173395849.db2.gz HGVQXPJCFHFOOE-UHFFFAOYSA-N 1 0 207.302 2.166 10 0 BEAERO C[NH2+]Cc1nc2ccc(Br)cc2o1 ZINC000062533323 173396063 /nfs/dbraw/zinc/39/60/63/173396063.db2.gz PTIYZTOMYMTPFQ-UHFFFAOYSA-N 1 0 241.088 2.310 10 0 BEAERO C[NH2+]Cc1nc2cc(Br)ccc2[nH]1 ZINC000037441207 173396758 /nfs/dbraw/zinc/39/67/58/173396758.db2.gz CNEREZIMUFMGIG-UHFFFAOYSA-N 1 0 240.104 2.045 10 0 BEAERO C[NH2+]Cc1nc2ccccc2n1Cc1ccco1 ZINC000053994575 173396804 /nfs/dbraw/zinc/39/68/04/173396804.db2.gz CQKGKRYFDWCGTM-UHFFFAOYSA-N 1 0 241.294 2.397 10 0 BEAERO C[NH2+]Cc1nc2ccccc2n1CC(F)(F)F ZINC000052125622 173396882 /nfs/dbraw/zinc/39/68/82/173396882.db2.gz RVTBOYQALUVFPT-UHFFFAOYSA-N 1 0 243.232 2.318 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(F)c(F)c2)c[nH]1 ZINC000036877236 173397989 /nfs/dbraw/zinc/39/79/89/173397989.db2.gz JBQVQIXVCQJAPL-UHFFFAOYSA-N 1 0 223.226 2.074 10 0 BEAERO C[NH2+]Cc1nccn1Cc1ccc(C)c(C)c1 ZINC000051004364 173398155 /nfs/dbraw/zinc/39/81/55/173398155.db2.gz NJQJJFRTSBUWFE-UHFFFAOYSA-N 1 0 229.327 2.268 10 0 BEAERO C[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000053131025 173426152 /nfs/dbraw/zinc/42/61/52/173426152.db2.gz UYPWFNHHUWCBCT-ZDUSSCGKSA-N 1 0 204.317 2.402 10 0 BEAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H]1CCOC1 ZINC000048623538 173427359 /nfs/dbraw/zinc/42/73/59/173427359.db2.gz NDTFFURZZHWACX-OLZOCXBDSA-N 1 0 205.301 2.292 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000055231760 173434279 /nfs/dbraw/zinc/43/42/79/173434279.db2.gz BOJGZIBQONHLEN-NWDGAFQWSA-N 1 0 233.311 2.313 10 0 BEAERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1ccccc1C ZINC000095075925 173437498 /nfs/dbraw/zinc/43/74/98/173437498.db2.gz PBCIAJBUGTVQTF-UONOGXRCSA-N 1 0 219.328 2.162 10 0 BEAERO C[NH2+][C@@H]1COc2ccc(Br)cc21 ZINC000035657581 173438522 /nfs/dbraw/zinc/43/85/22/173438522.db2.gz JQMCYYQLUQYZKS-MRVPVSSYSA-N 1 0 228.089 2.102 10 0 BEAERO C[NH2+][C@@]12CC=CC[C@H]1COc1ccccc12 ZINC000000012944 173441578 /nfs/dbraw/zinc/44/15/78/173441578.db2.gz JIYZXKWBRCTZDS-FZMZJTMJSA-N 1 0 215.296 2.460 10 0 BEAERO C[NH2+][C@H](CC(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000035500717 173451037 /nfs/dbraw/zinc/45/10/37/173451037.db2.gz SWKYOSCCEMDVOY-LLVKDONJSA-N 1 0 234.299 2.428 10 0 BEAERO C[NH2+][C@H](c1cc(C)oc1C)[C@@H]1CCOC1 ZINC000043611694 173456158 /nfs/dbraw/zinc/45/61/58/173456158.db2.gz VPZGKIGEKRMISF-PWSUYJOCSA-N 1 0 209.289 2.193 10 0 BEAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H]1CCCO1 ZINC000035507934 173456818 /nfs/dbraw/zinc/45/68/18/173456818.db2.gz LBKKAQUXMFLYOB-CHWSQXEVSA-N 1 0 239.290 2.274 10 0 BEAERO C[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000035463856 173457081 /nfs/dbraw/zinc/45/70/81/173457081.db2.gz CKCVGVMIJJZNRQ-NWDGAFQWSA-N 1 0 209.264 2.265 10 0 BEAERO C[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CCCC1 ZINC000035488645 173457175 /nfs/dbraw/zinc/45/71/75/173457175.db2.gz PRFWCSSUAMMJNU-ZDUSSCGKSA-N 1 0 245.326 2.307 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@@H]1C[C@H]1C ZINC000035487615 173458069 /nfs/dbraw/zinc/45/80/69/173458069.db2.gz SNJIRWXBLUPETF-GLXFQSAKSA-N 1 0 233.311 2.374 10 0 BEAERO C[NH2+][C@H]1C(=O)Nc2cc(SC(C)C)ccc21 ZINC000037685963 173460105 /nfs/dbraw/zinc/46/01/05/173460105.db2.gz IEQMMSVKAFGXTI-LLVKDONJSA-N 1 0 236.340 2.400 10 0 BEAERO C[NH2+][C@H]1c2cc(OC)ccc2S[C@H]1C ZINC000043635781 173469098 /nfs/dbraw/zinc/46/90/98/173469098.db2.gz ZSUSJAPGVVAWIF-WRWORJQWSA-N 1 0 209.314 2.450 10 0 BEAERO COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045083979 173769221 /nfs/dbraw/zinc/76/92/21/173769221.db2.gz HPFQQJOAIZPGPX-DGCLKSJQSA-N 1 0 239.359 2.450 10 0 BEAERO COC(=O)[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000035133339 173770953 /nfs/dbraw/zinc/77/09/53/173770953.db2.gz HZURGLNHYMLOLV-IRCOFANPSA-N 1 0 227.348 2.210 10 0 BEAERO COC(=O)c1ccc([C@@H]2CCCC[NH2+]2)cc1OC ZINC000090513451 173888571 /nfs/dbraw/zinc/88/85/71/173888571.db2.gz LJPWDNYCAPRYJX-LBPRGKRZSA-N 1 0 249.310 2.296 10 0 BEAERO COC1CC[NH+]([C@H]2CCCCCC[C@@H]2N)CC1 ZINC000037266216 174030677 /nfs/dbraw/zinc/03/06/77/174030677.db2.gz DATWMZZAIDNYMS-KBPBESRZSA-N 1 0 240.391 2.147 10 0 BEAERO COCC(C)(C)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000336767604 174076416 /nfs/dbraw/zinc/07/64/16/174076416.db2.gz PTOOLWJIINHTCV-SNVBAGLBSA-N 1 0 226.320 2.306 10 0 BEAERO COCCC[N@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@H]1O ZINC000062034310 174221143 /nfs/dbraw/zinc/22/11/43/174221143.db2.gz SKOPMDGKZQHLQF-MGPQQGTHSA-N 1 0 243.391 2.140 10 0 BEAERO COCCCN(CCC[NH3+])c1ccccc1C ZINC000037753563 174221777 /nfs/dbraw/zinc/22/17/77/174221777.db2.gz PVGRJPZTOGKXQQ-UHFFFAOYSA-N 1 0 236.359 2.187 10 0 BEAERO COCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124572572 174228668 /nfs/dbraw/zinc/22/86/68/174228668.db2.gz JSXXUANYUQVUPY-MJBXVCDLSA-N 1 0 241.375 2.038 10 0 BEAERO COCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852432 174249923 /nfs/dbraw/zinc/24/99/23/174249923.db2.gz GWOYKOQASPTDER-GFCCVEGCSA-N 1 0 221.300 2.006 10 0 BEAERO COCCCO[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042969315 174256352 /nfs/dbraw/zinc/25/63/52/174256352.db2.gz IPMCISYNUXTGLT-JSGCOSHPSA-N 1 0 237.343 2.436 10 0 BEAERO COCCN([C@H](C)C[NH2+]C1CCCC1)C1CC1 ZINC000053496554 174284563 /nfs/dbraw/zinc/28/45/63/174284563.db2.gz VKAFYYQDMSDQAZ-GFCCVEGCSA-N 1 0 240.391 2.018 10 0 BEAERO COCCN([C@@H](C)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518142 174285020 /nfs/dbraw/zinc/28/50/20/174285020.db2.gz FVKNOARXDDTBTB-SWLSCSKDSA-N 1 0 248.370 2.186 10 0 BEAERO COCC[NH2+]CC(C)(C)CC1CCOCC1 ZINC000054638718 174332698 /nfs/dbraw/zinc/33/26/98/174332698.db2.gz SJKHPWHIEVVHMP-UHFFFAOYSA-N 1 0 229.364 2.065 10 0 BEAERO COCC[NH2+]C[C@H](O)c1ccc(C(C)C)cc1 ZINC000033466129 174334657 /nfs/dbraw/zinc/33/46/57/174334657.db2.gz LEMHGQNJGAZJAW-AWEZNQCLSA-N 1 0 237.343 2.079 10 0 BEAERO COCC[NH2+]Cc1nc(C)c(C(C)(C)C)s1 ZINC000045205546 174336596 /nfs/dbraw/zinc/33/65/96/174336596.db2.gz MBUWIDDBNXVWDB-UHFFFAOYSA-N 1 0 242.388 2.485 10 0 BEAERO COCC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000045205810 174337032 /nfs/dbraw/zinc/33/70/32/174337032.db2.gz IKUAVHRKLISPQG-UHFFFAOYSA-N 1 0 228.361 2.177 10 0 BEAERO COCC[NH2+][C@H]1CSCc2ccccc21 ZINC000037186450 174340436 /nfs/dbraw/zinc/34/04/36/174340436.db2.gz IUKUHNPLAGOYAQ-LBPRGKRZSA-N 1 0 223.341 2.211 10 0 BEAERO COCCOCCNc1ccc2ccccc2n1 ZINC000044417374 174359502 /nfs/dbraw/zinc/35/95/02/174359502.db2.gz KQLVSZKWPRHALN-UHFFFAOYSA-N 1 0 246.310 2.310 10 0 BEAERO COCCOc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000041251978 174368259 /nfs/dbraw/zinc/36/82/59/174368259.db2.gz CYKFLPCGPGHGIG-QMMMGPOBSA-N 1 0 229.707 2.385 10 0 BEAERO COCCc1nc(-c2ccc(C[NH3+])cc2)cs1 ZINC000062938397 174424204 /nfs/dbraw/zinc/42/42/04/174424204.db2.gz WVRWYBAGHSMWDO-UHFFFAOYSA-N 1 0 248.351 2.458 10 0 BEAERO COC[C@@H](CC(C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309943434 174467472 /nfs/dbraw/zinc/46/74/72/174467472.db2.gz CLRPJJJQYFXBBC-VXGBXAGGSA-N 1 0 231.380 2.044 10 0 BEAERO COC[C@H](C)[N@H+](C)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O ZINC000054558354 174538652 /nfs/dbraw/zinc/53/86/52/174538652.db2.gz OHSBGHGGLPVYFL-FQUUOJAGSA-N 1 0 243.391 2.139 10 0 BEAERO COC[C@H]([NH2+][C@@H]1CCCSC1)c1ccco1 ZINC000128311503 174584764 /nfs/dbraw/zinc/58/47/64/174584764.db2.gz MRPJSNBFHLOKFU-MNOVXSKESA-N 1 0 241.356 2.452 10 0 BEAERO COCc1cccc(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000083968331 174631244 /nfs/dbraw/zinc/63/12/44/174631244.db2.gz IPABVYIOIXQMRI-MFKMUULPSA-N 1 0 205.301 2.331 10 0 BEAERO COc1cc(C)ccc1OCC(C)(C)C[NH3+] ZINC000041243157 174969229 /nfs/dbraw/zinc/96/92/29/174969229.db2.gz IGHCFFIBXXWCFO-UHFFFAOYSA-N 1 0 223.316 2.367 10 0 BEAERO COc1cc(C)ccc1OCC[NH2+]CC1CC1 ZINC000041266966 174969804 /nfs/dbraw/zinc/96/98/04/174969804.db2.gz WMKQQEAVGLAKIP-UHFFFAOYSA-N 1 0 235.327 2.382 10 0 BEAERO COc1cc(Cl)c(C(N)=[NH2+])cc1Cl ZINC000082597536 174988079 /nfs/dbraw/zinc/98/80/79/174988079.db2.gz PKCMRYSLRCIYQY-UHFFFAOYSA-N 1 0 219.071 2.286 10 0 BEAERO COc1cc(OC)c([C@H]2CCC[NH2+]2)cc1OC ZINC000034956931 175007929 /nfs/dbraw/zinc/00/79/29/175007929.db2.gz XSGKJKOAYLTMCH-SNVBAGLBSA-N 1 0 237.299 2.137 10 0 BEAERO COc1cc(OC)c([C@H]2CCC[NH2+]2)c(OC)c1 ZINC000082548854 175008205 /nfs/dbraw/zinc/00/82/05/175008205.db2.gz FCHYQFHCBWCEPO-SNVBAGLBSA-N 1 0 237.299 2.137 10 0 BEAERO COc1cc(OC)cc(OCCC[C@@H](C)[NH3+])c1 ZINC000041282161 175010201 /nfs/dbraw/zinc/01/02/01/175010201.db2.gz BTRRWTSFKBLWBF-SNVBAGLBSA-N 1 0 239.315 2.210 10 0 BEAERO COc1cc(OC)cc(OCCC[C@H](C)[NH3+])c1 ZINC000041282159 175010535 /nfs/dbraw/zinc/01/05/35/175010535.db2.gz BTRRWTSFKBLWBF-JTQLQIEISA-N 1 0 239.315 2.210 10 0 BEAERO COc1cc(OC)cc([C@@H]2CC[NH2+][C@H]2C)c1 ZINC000051954192 175011442 /nfs/dbraw/zinc/01/14/42/175011442.db2.gz NDRZOUMFNFSYEU-TVQRCGJNSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cc([C@@H]2[C@@H](C)[C@H]2[NH3+])c(OC)cc1C ZINC000027563295 175015247 /nfs/dbraw/zinc/01/52/47/175015247.db2.gz HPKQHOVHQSUPDK-OXHMUOHRSA-N 1 0 221.300 2.073 10 0 BEAERO COc1cc2c(CC[NH+](C)C)c[nH]c2cc1F ZINC000013835552 175019886 /nfs/dbraw/zinc/01/98/86/175019886.db2.gz OYPGINCEFFIAET-UHFFFAOYSA-N 1 0 236.290 2.420 10 0 BEAERO COc1cc2c(cc1O)CC[N@@H+]1CCC[C@@H]21 ZINC000169309102 175023632 /nfs/dbraw/zinc/02/36/32/175023632.db2.gz UPVYRZXWGMSCFU-NSHDSACASA-N 1 0 219.284 2.094 10 0 BEAERO COc1cc2c(cc1OC)[C@@H]([NH3+])C[C@@H]2C ZINC000041216118 175025756 /nfs/dbraw/zinc/02/57/56/175025756.db2.gz BRJYCLBCIIEMID-XVKPBYJWSA-N 1 0 207.273 2.211 10 0 BEAERO COc1ccc(-c2nccc(C[C@H](C)[NH3+])n2)cc1 ZINC000054834390 175040649 /nfs/dbraw/zinc/04/06/49/175040649.db2.gz BQSDETRFYFJCGT-JTQLQIEISA-N 1 0 243.310 2.042 10 0 BEAERO COc1ccc(C(=O)c2ccc(C[NH3+])o2)cc1F ZINC000041302738 175066424 /nfs/dbraw/zinc/06/64/24/175066424.db2.gz GCHAIYUPSNNOJP-UHFFFAOYSA-N 1 0 249.241 2.117 10 0 BEAERO COc1ccc(C)c2ccn(CCC[NH3+])c21 ZINC000059731570 175071780 /nfs/dbraw/zinc/07/17/80/175071780.db2.gz AUXUADANOJPANM-UHFFFAOYSA-N 1 0 218.300 2.307 10 0 BEAERO COc1ccc(C)cc1C(=O)CC[NH2+]C1CC1 ZINC000049822919 175072905 /nfs/dbraw/zinc/07/29/05/175072905.db2.gz PRCHLEOJMJEWMX-UHFFFAOYSA-N 1 0 233.311 2.328 10 0 BEAERO COc1ccc(C)cc1C(=O)[C@H]1CCCC[NH2+]1 ZINC000058327593 175073850 /nfs/dbraw/zinc/07/38/50/175073850.db2.gz YDWZUCVRYWDOCK-GFCCVEGCSA-N 1 0 233.311 2.328 10 0 BEAERO COc1ccc(C)cc1CC(=O)[C@H]1CCC[NH2+]C1 ZINC000041299217 175074058 /nfs/dbraw/zinc/07/40/58/175074058.db2.gz HYAJSGKMYUCFIZ-LBPRGKRZSA-N 1 0 247.338 2.115 10 0 BEAERO COc1ccc(C)cc1C(=O)[C@H]([NH3+])C(C)C ZINC000032013953 175074063 /nfs/dbraw/zinc/07/40/63/175074063.db2.gz HYZPPIYMCWIIDJ-GFCCVEGCSA-N 1 0 221.300 2.170 10 0 BEAERO COc1ccc(C)cc1NC[C@H]1CCC[NH2+]C1 ZINC000041264123 175078338 /nfs/dbraw/zinc/07/83/38/175078338.db2.gz PCVAQGVCVPRNNC-LBPRGKRZSA-N 1 0 234.343 2.415 10 0 BEAERO COc1ccc(C)cc1NCC1CC[NH2+]CC1 ZINC000041264093 175078676 /nfs/dbraw/zinc/07/86/76/175078676.db2.gz VMZZIXMHXHREKI-UHFFFAOYSA-N 1 0 234.343 2.415 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000033465515 175079919 /nfs/dbraw/zinc/07/99/19/175079919.db2.gz HCASEQGCXZLYQQ-FZMZJTMJSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc(C)cc1[C@@H](N)C[N@H+](C)CC1CC1 ZINC000037925407 175080201 /nfs/dbraw/zinc/08/02/01/175080201.db2.gz NBWKNPPXTGJFMB-AWEZNQCLSA-N 1 0 248.370 2.345 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccccn1 ZINC000011832351 175080633 /nfs/dbraw/zinc/08/06/33/175080633.db2.gz ZQXDDOPEHZLYRT-CQSZACIVSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+][C@H](C)C1CC1 ZINC000037889618 175080694 /nfs/dbraw/zinc/08/06/94/175080694.db2.gz YDRTXXQDQKAWRA-RISCZKNCSA-N 1 0 249.354 2.425 10 0 BEAERO COc1ccc(C)cc1[C@H](C)N1CCC[NH2+]CC1 ZINC000038086949 175080941 /nfs/dbraw/zinc/08/09/41/175080941.db2.gz SWVVTMXXPLWVEE-ZDUSSCGKSA-N 1 0 248.370 2.360 10 0 BEAERO COc1ccc(C)cc1[C@H]1C[NH2+][C@H](C)CO1 ZINC000036673451 175082032 /nfs/dbraw/zinc/08/20/32/175082032.db2.gz ZPBUEGBBIKKHAP-ZWNOBZJWSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc(C)cc1[C@H]1C[NH2+]C[C@H](C)O1 ZINC000036986395 175082232 /nfs/dbraw/zinc/08/22/32/175082232.db2.gz NMYBQXPYFLOTIC-GXFFZTMASA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc(C)cc1[C@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000071569485 175082747 /nfs/dbraw/zinc/08/27/47/175082747.db2.gz UQVIAOAHPBMAIR-SWLSCSKDSA-N 1 0 249.354 2.211 10 0 BEAERO COc1ccc(C2(C[NH3+])CC(C)C2)cc1 ZINC000070068629 175084833 /nfs/dbraw/zinc/08/48/33/175084833.db2.gz XSOGSAOFBQIXHD-UHFFFAOYSA-N 1 0 205.301 2.322 10 0 BEAERO COc1ccc(CCC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071561885 175088598 /nfs/dbraw/zinc/08/85/98/175088598.db2.gz LSFOCUBQMKUVKO-CYBMUJFWSA-N 1 0 247.338 2.197 10 0 BEAERO COc1ccc(CCC[C@@H](C)[NH3+])c(OC)c1 ZINC000041242684 175090083 /nfs/dbraw/zinc/09/00/83/175090083.db2.gz KEAVTOVKOPMHKX-SNVBAGLBSA-N 1 0 223.316 2.374 10 0 BEAERO COc1ccc(CC[C@H](C)C[NH3+])cc1OC ZINC000011631476 175093624 /nfs/dbraw/zinc/09/36/24/175093624.db2.gz JJHYHIDNRBNGGD-JTQLQIEISA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(C[N@@H+]2CCCC[C@H](CO)C2)cc1 ZINC000378352056 175098913 /nfs/dbraw/zinc/09/89/13/175098913.db2.gz XSXQSROSZLVCRP-AWEZNQCLSA-N 1 0 249.354 2.290 10 0 BEAERO COc1ccc(C[NH2+]Cc2ccnc(C)n2)cc1 ZINC000037997698 175108738 /nfs/dbraw/zinc/10/87/38/175108738.db2.gz IRWSZLMOJABHFI-UHFFFAOYSA-N 1 0 243.310 2.083 10 0 BEAERO COc1ccc(COCCC[NH3+])cc1Cl ZINC000057953393 175113343 /nfs/dbraw/zinc/11/33/43/175113343.db2.gz KWUXQESUJZBSBS-UHFFFAOYSA-N 1 0 229.707 2.214 10 0 BEAERO COc1ccc(CO[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000050503350 175114689 /nfs/dbraw/zinc/11/46/89/175114689.db2.gz ZYJRRSTWRICOTL-OLZOCXBDSA-N 1 0 221.300 2.092 10 0 BEAERO COc1ccc(C[C@H](C)CC[NH3+])c(OC)c1 ZINC000041242762 175116388 /nfs/dbraw/zinc/11/63/88/175116388.db2.gz KVZHFFUPVBGMPP-SNVBAGLBSA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(C[C@H](C)[C@H](C)[NH3+])cc1OC ZINC000041242704 175117284 /nfs/dbraw/zinc/11/72/84/175117284.db2.gz RSKOQQKEBNGNTR-UWVGGRQHSA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc(Cl)cc1CO[C@@H]1CC[NH2+]C1 ZINC000051782633 175120485 /nfs/dbraw/zinc/12/04/85/175120485.db2.gz YJYJMVOQSFZECO-LLVKDONJSA-N 1 0 241.718 2.227 10 0 BEAERO COc1ccc(Cl)cc1[C@H](O)[C@H]1CCC[NH2+]1 ZINC000036164541 175122981 /nfs/dbraw/zinc/12/29/81/175122981.db2.gz SKBBFGOMBCRYPE-PWSUYJOCSA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc(F)cc1[C@@H]1CC[C@H](C[NH3+])O1 ZINC000040393074 175133818 /nfs/dbraw/zinc/13/38/18/175133818.db2.gz AZMKBJHIXZCVNL-SKDRFNHKSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc(F)cc1[C@]1(C)CCC[NH2+]1 ZINC000096869341 175134441 /nfs/dbraw/zinc/13/44/41/175134441.db2.gz IQXPERDAAMEEHR-LBPRGKRZSA-N 1 0 209.264 2.433 10 0 BEAERO COc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1C ZINC000049531962 175142878 /nfs/dbraw/zinc/14/28/78/175142878.db2.gz NCQAVQJASQQPFW-NSHDSACASA-N 1 0 248.326 2.084 10 0 BEAERO COc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000061982660 175154105 /nfs/dbraw/zinc/15/41/05/175154105.db2.gz UYPSJUZMGDMVNA-LLVKDONJSA-N 1 0 248.326 2.049 10 0 BEAERO COc1ccc(OC)c(C[C@@H]2CCCC[NH2+]2)c1 ZINC000011630889 175166302 /nfs/dbraw/zinc/16/63/02/175166302.db2.gz KGZDFCMCBWGRTR-LBPRGKRZSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(OC)c([C@@H](C)[C@H](C)[NH3+])c1 ZINC000082375997 175166782 /nfs/dbraw/zinc/16/67/82/175166782.db2.gz MQFAKKHLHSSWIH-IUCAKERBSA-N 1 0 209.289 2.155 10 0 BEAERO COc1ccc(OC)c([C@H]2C[NH2+][C@@H](C)C2)c1 ZINC000070586841 175169042 /nfs/dbraw/zinc/16/90/42/175169042.db2.gz RBJOSJKDKSSKJQ-VHSXEESVSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc(OC)c([C@H](C)[C@@H](C)[NH3+])c1 ZINC000082375994 175169265 /nfs/dbraw/zinc/16/92/65/175169265.db2.gz MQFAKKHLHSSWIH-RKDXNWHRSA-N 1 0 209.289 2.155 10 0 BEAERO COc1ccc([C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000019784935 175180765 /nfs/dbraw/zinc/18/07/65/175180765.db2.gz KBZUXDBZJCBPMG-AWEZNQCLSA-N 1 0 235.327 2.215 10 0 BEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000042960006 175182292 /nfs/dbraw/zinc/18/22/92/175182292.db2.gz QSBOOVHAANSDJY-BXUZGUMPSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccc([C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000055265142 175182563 /nfs/dbraw/zinc/18/25/63/175182563.db2.gz FMDFDURZUMEMHS-ONGXEEELSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000051953802 175183336 /nfs/dbraw/zinc/18/33/36/175183336.db2.gz QHUPWZXGAOLFJA-CMPLNLGQSA-N 1 0 205.301 2.469 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]C(C)(C)O2)cc1 ZINC000071510317 175183469 /nfs/dbraw/zinc/18/34/69/175183469.db2.gz GHGZFIJMNQNPKH-NSHDSACASA-N 1 0 207.273 2.092 10 0 BEAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1F ZINC000071511554 175184245 /nfs/dbraw/zinc/18/42/45/175184245.db2.gz VVPURDLJNKCTBG-WPRPVWTQSA-N 1 0 209.264 2.300 10 0 BEAERO COc1ccc([C@@H]2[NH2+]CC[C@@H]2C)cc1OC ZINC000003733634 175185553 /nfs/dbraw/zinc/18/55/53/175185553.db2.gz CRCKHFKGXGLRSG-TVQRCGJNSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@@](C)(O)C[NH2+]CC(C)C)cc1 ZINC000033466188 175186577 /nfs/dbraw/zinc/18/65/77/175186577.db2.gz ICBWURXAJOXQDP-AWEZNQCLSA-N 1 0 237.343 2.148 10 0 BEAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000037646154 175188874 /nfs/dbraw/zinc/18/88/74/175188874.db2.gz UNDVNAGJIUOELQ-STQMWFEESA-N 1 0 248.370 2.298 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1O ZINC000289822273 175189889 /nfs/dbraw/zinc/18/98/89/175189889.db2.gz PXHSNUVYICEARC-ATZCPNFKSA-N 1 0 221.300 2.460 10 0 BEAERO COc1ccc([C@H](N)C[N@H+](C)CC2CC2)cc1 ZINC000037925421 175191586 /nfs/dbraw/zinc/19/15/86/175191586.db2.gz RGWMSZIZSCKGKH-CQSZACIVSA-N 1 0 234.343 2.037 10 0 BEAERO COc1ccc([C@H]([NH3+])Cc2nccs2)cc1 ZINC000036279059 175191898 /nfs/dbraw/zinc/19/18/98/175191898.db2.gz OXXHVVPLRABQOJ-LLVKDONJSA-N 1 0 234.324 2.394 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCOC2)c(Cl)c1 ZINC000048626029 175192310 /nfs/dbraw/zinc/19/23/10/175192310.db2.gz IFXBBDBOPYNQTQ-PRHODGIISA-N 1 0 241.718 2.385 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCO2)cc1C ZINC000037289155 175192355 /nfs/dbraw/zinc/19/23/55/175192355.db2.gz HZUTVCDSGIBBLV-STQMWFEESA-N 1 0 221.300 2.182 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCOC2)cc1C ZINC000048623302 175192367 /nfs/dbraw/zinc/19/23/67/175192367.db2.gz GSTFYRUGDQXGRM-YPMHNXCESA-N 1 0 221.300 2.040 10 0 BEAERO COc1ccc([C@H](O)CC[NH2+]C(C)C)cc1 ZINC000049819426 175193353 /nfs/dbraw/zinc/19/33/53/175193353.db2.gz WGJUKLALMNBNQU-CYBMUJFWSA-N 1 0 223.316 2.117 10 0 BEAERO COc1ccc([C@H]2CCC[C@H]2[NH3+])c(OC)c1 ZINC000055233102 175194655 /nfs/dbraw/zinc/19/46/55/175194655.db2.gz YMBRJJRMUKALRH-ZYHUDNBSSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@H]2CC[NH2+][C@@H]2C)cc1F ZINC000077303095 175195258 /nfs/dbraw/zinc/19/52/58/175195258.db2.gz HQBDEDMVVPGGDX-SCZZXKLOSA-N 1 0 209.264 2.300 10 0 BEAERO COc1ccc([C@H]2CC[NH2+][C@H]2C)cc1OC ZINC000051954015 175195679 /nfs/dbraw/zinc/19/56/79/175195679.db2.gz DNADNFBLEFNPMS-ONGXEEELSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H]2C[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000083109977 175197304 /nfs/dbraw/zinc/19/73/04/175197304.db2.gz OLFPTIQCEKDFQX-GHMZBOCLSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc2c(N)c3c([nH+]c2c1)CCC[C@@H]3O ZINC000014946463 175204671 /nfs/dbraw/zinc/20/46/71/175204671.db2.gz OALAJFHZGANODE-LBPRGKRZSA-N 1 0 244.294 2.195 10 0 BEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1COC1 ZINC000094710195 175207893 /nfs/dbraw/zinc/20/78/93/175207893.db2.gz SUOGWLIHCZJFFS-AWEZNQCLSA-N 1 0 233.311 2.061 10 0 BEAERO COc1ccc2c(c1)C=C(C[C@H]1C[NH+]=CN1)CC2 ZINC000013862066 175207941 /nfs/dbraw/zinc/20/79/41/175207941.db2.gz YCIJYNVFOZVYJT-AWEZNQCLSA-N 1 0 242.322 2.415 10 0 BEAERO COc1ccc2c(c1)C[C@@]1([NH3+])CC[C@@H]2C1 ZINC000027549221 175210996 /nfs/dbraw/zinc/21/09/96/175210996.db2.gz RJCPFAQZMAOKDN-NOZJJQNGSA-N 1 0 203.285 2.216 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)CS2 ZINC000035755412 175215901 /nfs/dbraw/zinc/21/59/01/175215901.db2.gz NGGXCQUQFDAAHV-WRWORJQWSA-N 1 0 209.314 2.437 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H]1C)CC2 ZINC000134245509 175216926 /nfs/dbraw/zinc/21/69/26/175216926.db2.gz PNIDSFKZXZKTEI-NZVBXONLSA-N 1 0 247.338 2.450 10 0 BEAERO COc1ccc2c(c1)nc([C@@H]1CCC[NH2+]C1)n2C ZINC000074298303 175219422 /nfs/dbraw/zinc/21/94/22/175219422.db2.gz ZYIQZFIIDUADPJ-SNVBAGLBSA-N 1 0 245.326 2.049 10 0 BEAERO COc1ccc2c(c1)[nH+]c(N)n2CC(F)(F)F ZINC000075947549 175220129 /nfs/dbraw/zinc/22/01/29/175220129.db2.gz QOPFHVJNMGENIN-UHFFFAOYSA-N 1 0 245.204 2.189 10 0 BEAERO COc1ccc2[nH]c(CC[NH2+]C(C)C)nc2c1 ZINC000071743304 175229466 /nfs/dbraw/zinc/22/94/66/175229466.db2.gz MOYDLAHQASLRAW-UHFFFAOYSA-N 1 0 233.315 2.112 10 0 BEAERO COc1ccc2sccc2c1CC[NH3+] ZINC000082941389 175232625 /nfs/dbraw/zinc/23/26/25/175232625.db2.gz VYGUGCNVAKHMCR-UHFFFAOYSA-N 1 0 207.298 2.411 10 0 BEAERO COc1cccc(-c2nc([C@@H](C)[NH3+])c[nH]2)c1OC ZINC000082517117 175236888 /nfs/dbraw/zinc/23/68/88/175236888.db2.gz LJIIEIJFZKRJFI-MRVPVSSYSA-N 1 0 247.298 2.114 10 0 BEAERO COc1cccc(C2(C)CC[NH2+]CC2)c1 ZINC000057493413 175247989 /nfs/dbraw/zinc/24/79/89/175247989.db2.gz CDCQSWDHAHMZCG-UHFFFAOYSA-N 1 0 205.301 2.336 10 0 BEAERO COc1cccc(CC[NH2+]CC2CCOCC2)c1 ZINC000155503935 175252591 /nfs/dbraw/zinc/25/25/91/175252591.db2.gz ZJPBFOVDVFQZNC-UHFFFAOYSA-N 1 0 249.354 2.254 10 0 BEAERO COc1cccc(CC[NH2+][C@H](C)c2cn[nH]c2)c1 ZINC000295841855 175252751 /nfs/dbraw/zinc/25/27/51/175252751.db2.gz FQQWOVKEMMUEGB-LLVKDONJSA-N 1 0 245.326 2.312 10 0 BEAERO COc1cccc(C[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000022129968 175272482 /nfs/dbraw/zinc/27/24/82/175272482.db2.gz KGYOHEQHPLVXPU-YPMHNXCESA-N 1 0 205.301 2.365 10 0 BEAERO COc1cccc(C[C@H]([NH3+])c2cncc(F)c2)c1 ZINC000049576505 175272643 /nfs/dbraw/zinc/27/26/43/175272643.db2.gz OOUXLRVTNZXLQQ-AWEZNQCLSA-N 1 0 246.285 2.472 10 0 BEAERO COc1cccc(NCC[C@@H](C)C[NH3+])c1 ZINC000049814310 175278939 /nfs/dbraw/zinc/27/89/39/175278939.db2.gz BLQDLIQWNBTDMT-SNVBAGLBSA-N 1 0 208.305 2.092 10 0 BEAERO COc1cccc(N[C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000104122317 175280367 /nfs/dbraw/zinc/28/03/67/175280367.db2.gz USMYESIYYMKKDM-QWRGUYRKSA-N 1 0 235.331 2.162 10 0 BEAERO COc1cccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000104117729 175280378 /nfs/dbraw/zinc/28/03/78/175280378.db2.gz GMZKHBOLDNRWNR-VXGBXAGGSA-N 1 0 247.342 2.129 10 0 BEAERO COc1cccc(OCC[C@H](C)C[NH3+])c1 ZINC000041218739 175283442 /nfs/dbraw/zinc/28/34/42/175283442.db2.gz HILHNFIGEPVWML-JTQLQIEISA-N 1 0 209.289 2.059 10 0 BEAERO COc1cccc(S[C@@H]2CC[NH2+]C2)c1 ZINC000051783948 175285383 /nfs/dbraw/zinc/28/53/83/175285383.db2.gz DRNVZMWHXGIREV-LLVKDONJSA-N 1 0 209.314 2.149 10 0 BEAERO COc1cccc([C@@H]([NH3+])CN2CCC(C)CC2)c1 ZINC000019821402 175288961 /nfs/dbraw/zinc/28/89/61/175288961.db2.gz VLFULOARYAECEF-HNNXBMFYSA-N 1 0 248.370 2.427 10 0 BEAERO COc1cccc([C@@H]([NH3+])CN2CCC[C@@H](C)C2)c1 ZINC000023070926 175289211 /nfs/dbraw/zinc/28/92/11/175289211.db2.gz SQAZYOGVJZGSHT-DOMZBBRYSA-N 1 0 248.370 2.427 10 0 BEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)CC2CC2)c1 ZINC000043027326 175290016 /nfs/dbraw/zinc/29/00/16/175290016.db2.gz UGBKHBWSXSVVPJ-IAQYHMDHSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@@H]2C[NH2+]CC(C)(C)O2)c1 ZINC000011803123 175290799 /nfs/dbraw/zinc/29/07/99/175290799.db2.gz XFCQTGUPFITXHG-LBPRGKRZSA-N 1 0 221.300 2.135 10 0 BEAERO COc1cccc([C@@H]2C[C@H](C)C[NH2+]2)c1OC ZINC000003705248 175291030 /nfs/dbraw/zinc/29/10/30/175291030.db2.gz DFWRMXSFFUYXGY-ONGXEEELSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cccc([C@@H]2CC[NH2+][C@@H]2C)c1OC ZINC000051954126 175291225 /nfs/dbraw/zinc/29/12/25/175291225.db2.gz NHHTWTCGUHARLN-NXEZZACHSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cccc([C@H]([NH3+])C[C@H]2CCCO2)c1 ZINC000037466670 175293923 /nfs/dbraw/zinc/29/39/23/175293923.db2.gz WDACPBGQPGPWFQ-CHWSQXEVSA-N 1 0 221.300 2.264 10 0 BEAERO COc1cccc([C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000070627884 175293960 /nfs/dbraw/zinc/29/39/60/175293960.db2.gz FEWXZMIVEAKPBV-JQWIXIFHSA-N 1 0 205.301 2.408 10 0 BEAERO COc1cccc([C@H]2[C@@H](C[NH3+])C2(C)C)c1OC ZINC000076682571 175296618 /nfs/dbraw/zinc/29/66/18/175296618.db2.gz LAFTVYQVSAFNOO-PWSUYJOCSA-N 1 0 235.327 2.402 10 0 BEAERO COc1cccc([C@H]2C[C@H](C)C[NH2+]2)c1OC ZINC000003705250 175296757 /nfs/dbraw/zinc/29/67/57/175296757.db2.gz DFWRMXSFFUYXGY-GXSJLCMTSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cccc([C@H]2[C@H](C[NH3+])C2(C)C)c1OC ZINC000076682575 175297099 /nfs/dbraw/zinc/29/70/99/175297099.db2.gz LAFTVYQVSAFNOO-JQWIXIFHSA-N 1 0 235.327 2.402 10 0 BEAERO COc1cccc2c(C(C)(C)C[NH3+])c[nH]c21 ZINC000082597274 175298196 /nfs/dbraw/zinc/29/81/96/175298196.db2.gz WPESHCKJBGOLFV-UHFFFAOYSA-N 1 0 218.300 2.413 10 0 BEAERO COc1cccc2c1ccnc2NCCC[NH3+] ZINC000082766051 175300005 /nfs/dbraw/zinc/30/00/05/175300005.db2.gz AJCUFXNDCQMMED-UHFFFAOYSA-N 1 0 231.299 2.004 10 0 BEAERO COc1cccc2c1CCC[C@@]21CC[NH2+]C1 ZINC000027733441 175301071 /nfs/dbraw/zinc/30/10/71/175301071.db2.gz FNNPWVMJALSOGU-AWEZNQCLSA-N 1 0 217.312 2.263 10 0 BEAERO COc1cccc2c1CC[C@@H]1[NH2+]CCC[C@@H]21 ZINC000034104310 175302622 /nfs/dbraw/zinc/30/26/22/175302622.db2.gz GHNVWCDFSUPLTC-AAEUAGOBSA-N 1 0 217.312 2.477 10 0 BEAERO COc1cccc2c1SC[C@H](C)[C@@H]2[NH3+] ZINC000041030735 175305128 /nfs/dbraw/zinc/30/51/28/175305128.db2.gz AMCIBBNBXJISTB-XVKPBYJWSA-N 1 0 209.314 2.437 10 0 BEAERO COc1ccccc1-c1c[nH]c(C[NH2+]C2CC2)n1 ZINC000037609084 175308349 /nfs/dbraw/zinc/30/83/49/175308349.db2.gz JHCWUCNHOABEFL-UHFFFAOYSA-N 1 0 243.310 2.337 10 0 BEAERO COc1ccccc1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000071521297 175318701 /nfs/dbraw/zinc/31/87/01/175318701.db2.gz DEFAGFSZPSHPKP-NSHDSACASA-N 1 0 219.284 2.020 10 0 BEAERO COc1ccccc1C(=O)[C@H]([NH3+])CC(C)C ZINC000032013957 175320117 /nfs/dbraw/zinc/32/01/17/175320117.db2.gz NPTMXMQOLPWMBF-LLVKDONJSA-N 1 0 221.300 2.251 10 0 BEAERO COc1ccccc1CC[NH2+]C1CCC1 ZINC000076639752 175323211 /nfs/dbraw/zinc/32/32/11/175323211.db2.gz DLYRBISVBUVUFO-UHFFFAOYSA-N 1 0 205.301 2.380 10 0 BEAERO COc1ccccc1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911587 175324616 /nfs/dbraw/zinc/32/46/16/175324616.db2.gz HMTJZDPDAPWKRT-HNNXBMFYSA-N 1 0 248.370 2.127 10 0 BEAERO COc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000042229856 175325908 /nfs/dbraw/zinc/32/59/08/175325908.db2.gz YRZGTTZBANNEMK-OLZOCXBDSA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccccc1C[C@H](C)[NH2+]Cc1cn[nH]c1 ZINC000038006316 175333888 /nfs/dbraw/zinc/33/38/88/175333888.db2.gz YSPBVGKCWVBARJ-NSHDSACASA-N 1 0 245.326 2.139 10 0 BEAERO COc1ccccc1N1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049663114 175335564 /nfs/dbraw/zinc/33/55/64/175335564.db2.gz KEFUODQTDYRPFG-CHWSQXEVSA-N 1 0 248.370 2.377 10 0 BEAERO COc1ccccc1N(CC[NH3+])CC(C)C ZINC000076611369 175335982 /nfs/dbraw/zinc/33/59/82/175335982.db2.gz SYGYBGYQBFFQEK-UHFFFAOYSA-N 1 0 222.332 2.116 10 0 BEAERO COc1ccccc1NCC[NH+]1CCCC1 ZINC000041234298 175337617 /nfs/dbraw/zinc/33/76/17/175337617.db2.gz KMGZMSYUPIGSTO-UHFFFAOYSA-N 1 0 220.316 2.203 10 0 BEAERO COc1ccccc1OCCC[NH2+]C1CC1 ZINC000020525234 175340995 /nfs/dbraw/zinc/34/09/95/175340995.db2.gz AIRVNGXYTRHACB-UHFFFAOYSA-N 1 0 221.300 2.216 10 0 BEAERO COc1ccccc1Oc1ncccc1C(N)=[NH2+] ZINC000019507349 175342580 /nfs/dbraw/zinc/34/25/80/175342580.db2.gz XJFDQRFWUUEXMK-UHFFFAOYSA-N 1 0 243.266 2.167 10 0 BEAERO COc1ccccc1Oc1cccc(C[NH3+])n1 ZINC000051549692 175342902 /nfs/dbraw/zinc/34/29/02/175342902.db2.gz ICXAYHZPUIRMSB-UHFFFAOYSA-N 1 0 230.267 2.341 10 0 BEAERO COc1ccccc1[C@@H](O)[C@@H]([NH3+])CC(C)C ZINC000032014649 175346931 /nfs/dbraw/zinc/34/69/31/175346931.db2.gz USROZQCQFVCXSK-WCQYABFASA-N 1 0 223.316 2.102 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])Cc1ccccn1 ZINC000020429147 175347200 /nfs/dbraw/zinc/34/72/00/175347200.db2.gz DWRKSLGDUDSAIF-ZDUSSCGKSA-N 1 0 228.295 2.333 10 0 BEAERO COc1ccccc1[C@@H](N)C[N@@H+]1CCC[C@@H](C)C1 ZINC000023069936 175347913 /nfs/dbraw/zinc/34/79/13/175347913.db2.gz UTBJSFFCQBRZOO-OCCSQVGLSA-N 1 0 248.370 2.427 10 0 BEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])n1ccnc1C ZINC000043098685 175348912 /nfs/dbraw/zinc/34/89/12/175348912.db2.gz BBUVFTPIWHAMQQ-QMTHXVAHSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccccc1[C@@H]1C[NH2+]CCS1 ZINC000041218897 175348984 /nfs/dbraw/zinc/34/89/84/175348984.db2.gz CITYJMJUDUIQRJ-NSHDSACASA-N 1 0 209.314 2.073 10 0 BEAERO COc1ccccc1[C@@](C)([NH3+])C[C@@H]1CCCO1 ZINC000053757857 175349817 /nfs/dbraw/zinc/34/98/17/175349817.db2.gz PIGSUSLOMFEYRH-FZMZJTMJSA-N 1 0 235.327 2.438 10 0 BEAERO COc1ccccc1[C@@](C)([NH3+])C[C@H]1CCCO1 ZINC000053757862 175350307 /nfs/dbraw/zinc/35/03/07/175350307.db2.gz PIGSUSLOMFEYRH-RISCZKNCSA-N 1 0 235.327 2.438 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)[C@@H](C)C1CC1 ZINC000036783335 175353388 /nfs/dbraw/zinc/35/33/88/175353388.db2.gz RJGFVKPZARZQMG-FZMZJTMJSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1C[C@H]1C ZINC000111765795 175353532 /nfs/dbraw/zinc/35/35/32/175353532.db2.gz LMCYWDHXBDCWLA-DYEKYZERSA-N 1 0 248.370 2.283 10 0 BEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C1CC1 ZINC000043097115 175354340 /nfs/dbraw/zinc/35/43/40/175354340.db2.gz ZNJWOMXYNQDUJL-YGRLFVJLSA-N 1 0 234.343 2.178 10 0 BEAERO COc1ccccc1[C@](C)([NH3+])c1cccnc1 ZINC000037761490 175355944 /nfs/dbraw/zinc/35/59/44/175355944.db2.gz DUMCCFOZTZVFKN-CQSZACIVSA-N 1 0 228.295 2.312 10 0 BEAERO CSC1=NC2(CC[NH2+]CC2)Nc2ccccc21 ZINC000085346556 175456255 /nfs/dbraw/zinc/45/62/55/175456255.db2.gz LEBWFLLUCJBQCT-UHFFFAOYSA-N 1 0 247.367 2.301 10 0 BEAERO CSCCCCC[NH2+]Cc1cnn(C)c1C ZINC000229515630 175474453 /nfs/dbraw/zinc/47/44/53/175474453.db2.gz JFDZVGQRKCAKHT-UHFFFAOYSA-N 1 0 241.404 2.351 10 0 BEAERO CSc1ccc(Cn2cc[nH+]c2N)cc1 ZINC000037483155 175576606 /nfs/dbraw/zinc/57/66/06/175576606.db2.gz VGQQGYPMWVCXMD-UHFFFAOYSA-N 1 0 219.313 2.236 10 0 BEAERO C[C@@H](CC(N)=O)C[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000061830094 175650700 /nfs/dbraw/zinc/65/07/00/175650700.db2.gz OJDDQOANNIVARR-QMTHXVAHSA-N 1 0 246.354 2.077 10 0 BEAERO C[C@@H](CC1CC1)NC(=O)CCC1CC[NH2+]CC1 ZINC000070103666 175654741 /nfs/dbraw/zinc/65/47/41/175654741.db2.gz MCYJSADLLLHNPE-NSHDSACASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H](C[NH3+])CN1c2ccccc2C[C@H]1C ZINC000036677513 175707511 /nfs/dbraw/zinc/70/75/11/175707511.db2.gz QADOSKWOSZVKBY-WDEREUQCSA-N 1 0 204.317 2.032 10 0 BEAERO C[C@@H](C[NH3+])c1nc2c(s1)CCCCC2 ZINC000011886867 175713889 /nfs/dbraw/zinc/71/38/89/175713889.db2.gz QUDLUWZBALNVSJ-QMMMGPOBSA-N 1 0 210.346 2.474 10 0 BEAERO C[C@@H](CO)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000085527305 175762570 /nfs/dbraw/zinc/76/25/70/175762570.db2.gz VZFAHARCGRLZCQ-XVKPBYJWSA-N 1 0 244.132 2.077 10 0 BEAERO C[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1F ZINC000037476195 175803691 /nfs/dbraw/zinc/80/36/91/175803691.db2.gz GGDZSLUKZFSYJI-ZCFIWIBFSA-N 1 0 230.670 2.155 10 0 BEAERO C[C@@H]([NH3+])Cc1c[nH]c2ccc(N(C)C)cc12 ZINC000001852845 175806833 /nfs/dbraw/zinc/80/68/33/175806833.db2.gz VQMVTEBMNHSUGD-SECBINFHSA-N 1 0 217.316 2.124 10 0 BEAERO C[C@@H]([NH3+])[C@@H](OC1CCOCC1)c1ccsc1 ZINC000043125721 175809394 /nfs/dbraw/zinc/80/93/94/175809394.db2.gz MQELKCYUSTVWEN-BXKDBHETSA-N 1 0 241.356 2.332 10 0 BEAERO C[C@@H]([NH3+])[C@@H](n1cc(Cl)cn1)C(C)(C)C ZINC000043294980 175810456 /nfs/dbraw/zinc/81/04/56/175810456.db2.gz MCBZCUJVBNSDCP-VXNVDRBHSA-N 1 0 215.728 2.471 10 0 BEAERO C[C@@H]([NH3+])c1ccc(OC2CCOCC2)cc1 ZINC000040993323 175817974 /nfs/dbraw/zinc/81/79/74/175817974.db2.gz UPOINEMYGOKRIB-SNVBAGLBSA-N 1 0 221.300 2.264 10 0 BEAERO C[C@@H]([NH3+])c1cccc(Oc2ncccn2)c1 ZINC000040542935 175818427 /nfs/dbraw/zinc/81/84/27/175818427.db2.gz QBTMKGIUSIVZOG-SECBINFHSA-N 1 0 215.256 2.289 10 0 BEAERO C[C@@H]([NH3+])c1noc(-c2cc(F)cc(F)c2)n1 ZINC000041052200 175822524 /nfs/dbraw/zinc/82/25/24/175822524.db2.gz DYFWZLLKIUTDKP-RXMQYKEDSA-N 1 0 225.198 2.035 10 0 BEAERO C[C@@H](NC(=O)CCCCCC[NH3+])c1ccco1 ZINC000035738261 175830104 /nfs/dbraw/zinc/83/01/04/175830104.db2.gz RAZWYFDEWNULCE-LLVKDONJSA-N 1 0 238.331 2.366 10 0 BEAERO C[C@@H]([NH2+]CC1(C)CCCC1)C(=O)N1CCCC1 ZINC000104436383 175866508 /nfs/dbraw/zinc/86/65/08/175866508.db2.gz DFFFPWFFGODHRE-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H](O)c1ccc(N(C)CC[NH+]2CCCC2)cc1 ZINC000063052337 175999266 /nfs/dbraw/zinc/99/92/66/175999266.db2.gz RWYJSOHKJWLJNQ-CYBMUJFWSA-N 1 0 248.370 2.272 10 0 BEAERO C[C@@H](OCCCC(N)=[NH2+])c1ccccc1 ZINC000019482673 176002394 /nfs/dbraw/zinc/00/23/94/176002394.db2.gz ZRZQFHUKISBNFS-SNVBAGLBSA-N 1 0 206.289 2.480 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961189 176011502 /nfs/dbraw/zinc/01/15/02/176011502.db2.gz NPQWYJULHMYOBC-MNOVXSKESA-N 1 0 215.300 2.458 10 0 BEAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053205338 176015975 /nfs/dbraw/zinc/01/59/75/176015975.db2.gz CNHSAXHCTSNJRY-SWLSCSKDSA-N 1 0 247.386 2.356 10 0 BEAERO C[C@@H](c1ccc2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000079902920 176016331 /nfs/dbraw/zinc/01/63/31/176016331.db2.gz PUHUMLDHCOHCNK-JQWIXIFHSA-N 1 0 233.311 2.171 10 0 BEAERO C[C@@H](c1ccc[nH]1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095068220 176017020 /nfs/dbraw/zinc/01/70/20/176017020.db2.gz STGUCIUDWFWLNH-NWDGAFQWSA-N 1 0 221.348 2.007 10 0 BEAERO C[C@@H](c1ccccc1)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000062608910 176021301 /nfs/dbraw/zinc/02/13/01/176021301.db2.gz YXHFMWCYJGCYBL-UPJWGTAASA-N 1 0 218.344 2.430 10 0 BEAERO C[C@@H](c1ccccc1)N1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000034679642 176021922 /nfs/dbraw/zinc/02/19/22/176021922.db2.gz ZOAMJHJHQLZVFS-JSGCOSHPSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@@H](c1ccco1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068172 176031298 /nfs/dbraw/zinc/03/12/98/176031298.db2.gz IGMYQWBHGLYEMF-QWRGUYRKSA-N 1 0 208.305 2.024 10 0 BEAERO C[C@@H](c1cccs1)[N@@H+]1CC[C@@H](CO)C1 ZINC000100248425 176034149 /nfs/dbraw/zinc/03/41/49/176034149.db2.gz KNESTDLOKWBUDX-VHSXEESVSA-N 1 0 211.330 2.123 10 0 BEAERO C[C@@H](c1cccs1)N1CCC[C@@H]([NH3+])C1 ZINC000100256886 176034744 /nfs/dbraw/zinc/03/47/44/176034744.db2.gz GDFXQLRAYRSHNS-VHSXEESVSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]C2CC2)C1 ZINC000038124142 176052350 /nfs/dbraw/zinc/05/23/50/176052350.db2.gz ORSBLDBYZHBNNM-MFKMUULPSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@](CN)([NH2+]C2CC2)C1 ZINC000050271072 176052474 /nfs/dbraw/zinc/05/24/74/176052474.db2.gz ZFEMCQQENHKGCO-MFKMUULPSA-N 1 0 210.365 2.282 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1C1(CN)CCSCC1 ZINC000042334896 176069267 /nfs/dbraw/zinc/06/92/67/176069267.db2.gz XGIADZHHOJBSMA-LLVKDONJSA-N 1 0 228.405 2.085 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1Cc1ccoc1CN ZINC000052378757 176074457 /nfs/dbraw/zinc/07/44/57/176074457.db2.gz CDZVPMKDVFVWQB-SNVBAGLBSA-N 1 0 208.305 2.113 10 0 BEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251559150 176076196 /nfs/dbraw/zinc/07/61/96/176076196.db2.gz AFXCZAKZGSYYME-FVCCEPFGSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(C)(C)C[NH3+] ZINC000044752257 176077664 /nfs/dbraw/zinc/07/76/64/176077664.db2.gz MFCWJPYFGHLZTP-MNOVXSKESA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1CCCC[C@@]1(CN)[N@@H+]1CCCSCC1 ZINC000042443610 176083413 /nfs/dbraw/zinc/08/34/13/176083413.db2.gz DJCVHWGKHFTUOL-OLZOCXBDSA-N 1 0 242.432 2.333 10 0 BEAERO C[C@@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1ccccn1 ZINC000036777247 176083702 /nfs/dbraw/zinc/08/37/02/176083702.db2.gz LCWDEMFVTRXTJG-HIFRSBDPSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cncnc1 ZINC000054768143 176085634 /nfs/dbraw/zinc/08/56/34/176085634.db2.gz NFINGAXLYQYLHF-YPMHNXCESA-N 1 0 219.332 2.393 10 0 BEAERO C[C@@H]1CCCC[C@H]1Oc1cc(C[NH3+])ccn1 ZINC000019398768 176090423 /nfs/dbraw/zinc/09/04/23/176090423.db2.gz JVKIQMWYPRUHMY-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCC[C@H]1Oc1ccc(C[NH3+])cn1 ZINC000019280541 176090436 /nfs/dbraw/zinc/09/04/36/176090436.db2.gz BUNFRNZKPAUJIK-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[N@@H+]1CC(=O)Cc1ccc(F)cc1 ZINC000037911584 176107989 /nfs/dbraw/zinc/10/79/89/176107989.db2.gz RQZLJRHSSWORCA-LLVKDONJSA-N 1 0 235.302 2.422 10 0 BEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N(C)Cc1ccccc1 ZINC000051790823 176112194 /nfs/dbraw/zinc/11/21/94/176112194.db2.gz KPPWGGNLCCYZIU-TZMCWYRMSA-N 1 0 246.354 2.033 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)NCCC2CCCC2)[NH2+]1 ZINC000037741558 176112961 /nfs/dbraw/zinc/11/29/61/176112961.db2.gz MHUPBVDKBLZGHY-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2)[NH2+]1 ZINC000019518963 176113418 /nfs/dbraw/zinc/11/34/18/176113418.db2.gz KCCYVMHRXKHSFG-PWSUYJOCSA-N 1 0 218.300 2.156 10 0 BEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)C2([NH3+])CCCC2)C1 ZINC000042495044 176119518 /nfs/dbraw/zinc/11/95/18/176119518.db2.gz WAPOXYDTKFLJEZ-VXGBXAGGSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@@H]1CCC[C@@H](OC(=O)C2([NH3+])CCCC2)C1 ZINC000040953543 176125235 /nfs/dbraw/zinc/12/52/35/176125235.db2.gz ZMPHZNDTQSDKGI-GHMZBOCLSA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1CCC[C@@](CO)(Nc2cc[nH+]cc2)C1 ZINC000053110367 176133647 /nfs/dbraw/zinc/13/36/47/176133647.db2.gz SYVICCFXOABPEZ-DGCLKSJQSA-N 1 0 220.316 2.435 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000367583442 176144209 /nfs/dbraw/zinc/14/42/09/176144209.db2.gz DEQXSGJGAHBFAT-MLGHIDQZSA-N 1 0 209.333 2.047 10 0 BEAERO C[C@@H]1CCC[C@H](OC(=O)C2([NH3+])CCCC2)C1 ZINC000040953539 176146284 /nfs/dbraw/zinc/14/62/84/176146284.db2.gz ZMPHZNDTQSDKGI-MNOVXSKESA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1CCC[C@H](c2nccc(CC[NH3+])n2)C1 ZINC000054833577 176146902 /nfs/dbraw/zinc/14/69/02/176146902.db2.gz YOOGSXKKHJRWHQ-MNOVXSKESA-N 1 0 219.332 2.272 10 0 BEAERO C[C@@H]1CC[N@@H+](C2CCCCCC2)CCN1 ZINC000049661875 176167432 /nfs/dbraw/zinc/16/74/32/176167432.db2.gz WGEUOLJARQZQQD-GFCCVEGCSA-N 1 0 210.365 2.393 10 0 BEAERO C[C@@H]1CC[C@@H](C)N(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134578899 176196721 /nfs/dbraw/zinc/19/67/21/176196721.db2.gz IIOCJRCDBLVZDP-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CC[C@@H](O)[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000053883667 176215413 /nfs/dbraw/zinc/21/54/13/176215413.db2.gz DJJZUPHUSLLLNI-VHDGCEQUSA-N 1 0 248.370 2.311 10 0 BEAERO C[C@@H]1CC[C@]2(CC[N@H+](CC(C)(C)O)C2)C1 ZINC000336558307 176238372 /nfs/dbraw/zinc/23/83/72/176238372.db2.gz DMVMHFOWNXHLIN-YPMHNXCESA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1C[N@@H+](C2CCCCCC2)[C@H](C)CN1 ZINC000071512336 176282668 /nfs/dbraw/zinc/28/26/68/176282668.db2.gz SPLVGFVUSCGSGW-VXGBXAGGSA-N 1 0 210.365 2.391 10 0 BEAERO C[C@@H]1CN(CCc2ccccc2F)[C@H](C)C[NH2+]1 ZINC000071547319 176294809 /nfs/dbraw/zinc/29/48/09/176294809.db2.gz TWZIBJWFGPULRE-VXGBXAGGSA-N 1 0 236.334 2.050 10 0 BEAERO C[C@@H]1C[NH+](CC[C@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000041164900 176294931 /nfs/dbraw/zinc/29/49/31/176294931.db2.gz CMJMYWPNEBLCGB-NFAWXSAZSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)CCCO1 ZINC000130547278 176306467 /nfs/dbraw/zinc/30/64/67/176306467.db2.gz KGWGZYCBJFAYIY-GFCCVEGCSA-N 1 0 246.354 2.265 10 0 BEAERO C[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH3+])[C@H](C)CO1 ZINC000035784280 176315826 /nfs/dbraw/zinc/31/58/26/176315826.db2.gz RBSJZVNOLSMJBB-YIYPIFLZSA-N 1 0 240.391 2.146 10 0 BEAERO C[C@@H]1CN([C@@H]2CCOc3ccccc32)C[C@@H](C)[NH2+]1 ZINC000111748605 176315897 /nfs/dbraw/zinc/31/58/97/176315897.db2.gz RNWCMCAEEKVQIG-YRGRVCCFSA-N 1 0 246.354 2.192 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(Cc2ccccc2F)C1 ZINC000049664517 176324090 /nfs/dbraw/zinc/32/40/90/176324090.db2.gz NOKVERNGXBPIBW-GFCCVEGCSA-N 1 0 236.334 2.257 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccccc1F ZINC000041271399 176324270 /nfs/dbraw/zinc/32/42/70/176324270.db2.gz VMAJKYKUVJAAMR-LLVKDONJSA-N 1 0 236.334 2.398 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@@H](C)S1)c1ccccn1 ZINC000035695366 176324532 /nfs/dbraw/zinc/32/45/32/176324532.db2.gz XHCFEZHHLYGEEV-RKDXNWHRSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[NH2+]CCN(c2cc(F)cc(F)c2)C1 ZINC000049661695 176326143 /nfs/dbraw/zinc/32/61/43/176326143.db2.gz KQYVNBDRPUIJSD-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[C@@H]1C[NH2+]CCc2oc(Br)cc21 ZINC000082348096 176328611 /nfs/dbraw/zinc/32/86/11/176328611.db2.gz URWXWQUIWWTFIO-ZCFIWIBFSA-N 1 0 230.105 2.291 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(C2CCCCC2)no1 ZINC000104204859 176328692 /nfs/dbraw/zinc/32/86/92/176328692.db2.gz GRYSQUSRQDARAF-KOLCDFICSA-N 1 0 235.331 2.440 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2ccccc2Cl)O1 ZINC000032012618 176330144 /nfs/dbraw/zinc/33/01/44/176330144.db2.gz BONOEYOQDIOQSC-LDYMZIIASA-N 1 0 211.692 2.389 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](c2cnc3ccccc3n2)C1 ZINC000003705230 176330707 /nfs/dbraw/zinc/33/07/07/176330707.db2.gz KVVVXHIYDLNGAJ-JOYOIKCWSA-N 1 0 213.284 2.300 10 0 BEAERO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000279947644 176345065 /nfs/dbraw/zinc/34/50/65/176345065.db2.gz BNVWJSUDSJUKMF-HONMWMINSA-N 1 0 247.338 2.394 10 0 BEAERO C[C@@H]1COC[C@@H](CCc2cccc(F)c2)[NH2+]1 ZINC000071525004 176346748 /nfs/dbraw/zinc/34/67/48/176346748.db2.gz YJCLAYFHACVXAX-ZWNOBZJWSA-N 1 0 223.291 2.135 10 0 BEAERO C[C@@H]1CSC(NCc2ccccc2)=[NH+]1 ZINC000035294406 176348763 /nfs/dbraw/zinc/34/87/63/176348763.db2.gz BXPGWSKMTAYXJF-SECBINFHSA-N 1 0 206.314 2.268 10 0 BEAERO C[C@@H]1CSC(NCc2ccccc2F)=[NH+]1 ZINC000035294992 176348930 /nfs/dbraw/zinc/34/89/30/176348930.db2.gz UAFOYZHNMDUUEI-MRVPVSSYSA-N 1 0 224.304 2.407 10 0 BEAERO C[C@@H]1CSC(NCc2cccc(F)c2)=[NH+]1 ZINC000035295217 176349369 /nfs/dbraw/zinc/34/93/69/176349369.db2.gz AAUJSRVZAPLNHV-MRVPVSSYSA-N 1 0 224.304 2.407 10 0 BEAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccco2)C1 ZINC000022221269 176361696 /nfs/dbraw/zinc/36/16/96/176361696.db2.gz VVOOBECOVUXKAR-UTUOFQBUSA-N 1 0 222.332 2.257 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(O)c(N)c2)C1 ZINC000037272583 176362368 /nfs/dbraw/zinc/36/23/68/176362368.db2.gz BCVCZBKCKWMNDX-GHMZBOCLSA-N 1 0 234.343 2.452 10 0 BEAERO C[C@@H]1C[C@@H](OC(=O)C(C)(C)[NH3+])CC(C)(C)C1 ZINC000040951794 176382414 /nfs/dbraw/zinc/38/24/14/176382414.db2.gz FWUUHWLEPDUNRY-NXEZZACHSA-N 1 0 227.348 2.482 10 0 BEAERO C[C@@H]1C[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O1 ZINC000096100628 176408962 /nfs/dbraw/zinc/40/89/62/176408962.db2.gz NVBQFSKORISUED-MBNYWOFBSA-N 1 0 232.327 2.081 10 0 BEAERO C[C@H](CC(=O)N[C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000091496347 176458718 /nfs/dbraw/zinc/45/87/18/176458718.db2.gz AFIRICFAAGSNPC-WOPDTQHZSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000119991251 176472712 /nfs/dbraw/zinc/47/27/12/176472712.db2.gz APTTXINYKXQMGN-ONGXEEELSA-N 1 0 211.330 2.058 10 0 BEAERO C[C@@](O)(c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000071550484 176520119 /nfs/dbraw/zinc/52/01/19/176520119.db2.gz YTIJRCBTXPZBNS-ZANVPECISA-N 1 0 241.281 2.172 10 0 BEAERO C[C@@]1(c2ccc(Br)s2)C[C@H]1[NH3+] ZINC000052126303 176545892 /nfs/dbraw/zinc/54/58/92/176545892.db2.gz OQXWNZJBPKQZRC-SVGQVSJJSA-N 1 0 232.146 2.499 10 0 BEAERO C[C@@]1(c2cccs2)C[C@@H]1C[NH2+]C1COC1 ZINC000367908449 176548387 /nfs/dbraw/zinc/54/83/87/176548387.db2.gz BMPLEGDRBBYSHL-BXKDBHETSA-N 1 0 223.341 2.014 10 0 BEAERO C[C@H](CC[NH3+])N(C)c1ncccc1C(F)(F)F ZINC000063086488 176627208 /nfs/dbraw/zinc/62/72/08/176627208.db2.gz SPLXAHLLAOFFDY-MRVPVSSYSA-N 1 0 247.264 2.274 10 0 BEAERO C[C@H](CC[NH3+])c1nc2cc(F)ccc2o1 ZINC000082943891 176628138 /nfs/dbraw/zinc/62/81/38/176628138.db2.gz RHKLAXHLUZBVDI-SSDOTTSWSA-N 1 0 208.236 2.419 10 0 BEAERO C[C@H](C[NH3+])COc1ccc(F)c(Cl)c1 ZINC000070065114 176659068 /nfs/dbraw/zinc/65/90/68/176659068.db2.gz SUYVNRBKDNPDLR-SSDOTTSWSA-N 1 0 217.671 2.453 10 0 BEAERO C[C@H](C[NH+]1CCCC1)N1Cc2cccc(N)c2C1 ZINC000049185836 176664322 /nfs/dbraw/zinc/66/43/22/176664322.db2.gz RWWWQKMOGBOZHT-GFCCVEGCSA-N 1 0 245.370 2.069 10 0 BEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccc(Cl)s1 ZINC000037476553 176756809 /nfs/dbraw/zinc/75/68/09/176756809.db2.gz JVIIEWXPDJCUFQ-NKWVEPMBSA-N 1 0 246.763 2.316 10 0 BEAERO C[C@H]([NH3+])Cc1cc2c(cc1OCC1CC1)OCO2 ZINC000042878389 176761794 /nfs/dbraw/zinc/76/17/94/176761794.db2.gz XVVOSXOXFRZRKY-VIFPVBQESA-N 1 0 249.310 2.094 10 0 BEAERO C[C@H]([NH3+])Cc1ccc(OCc2ccno2)cc1 ZINC000037723726 176761901 /nfs/dbraw/zinc/76/19/01/176761901.db2.gz XTGFSZVHRLDDAH-JTQLQIEISA-N 1 0 232.283 2.143 10 0 BEAERO C[C@H]([NH3+])Cc1nc(-c2ccncc2)cs1 ZINC000054160922 176762465 /nfs/dbraw/zinc/76/24/65/176762465.db2.gz KCYRQMLOZHEPHA-QMMMGPOBSA-N 1 0 219.313 2.095 10 0 BEAERO C[C@H]([NH3+])Cc1nccc(-c2ccccc2)n1 ZINC000070949214 176763191 /nfs/dbraw/zinc/76/31/91/176763191.db2.gz OCSBIKZXEIKYBF-JTQLQIEISA-N 1 0 213.284 2.033 10 0 BEAERO C[C@H]([NH3+])[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000020216905 176764653 /nfs/dbraw/zinc/76/46/53/176764653.db2.gz UVVKJPMOGROWJA-IMTBSYHQSA-N 1 0 219.206 2.086 10 0 BEAERO C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCOCC1(C)C ZINC000042902009 176765507 /nfs/dbraw/zinc/76/55/07/176765507.db2.gz BKGYSUZZRCANIE-JSGCOSHPSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)n1ccnc1 ZINC000043016606 176770925 /nfs/dbraw/zinc/77/09/25/176770925.db2.gz XJRCKILVJMUIBQ-JOYOIKCWSA-N 1 0 235.718 2.473 10 0 BEAERO C[C@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000061699365 176776736 /nfs/dbraw/zinc/77/67/36/176776736.db2.gz JSYOICGOTJHSPH-YFKPBYRVSA-N 1 0 216.078 2.174 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1CC1(C)C ZINC000309024312 176866554 /nfs/dbraw/zinc/86/65/54/176866554.db2.gz YZTWRJVZYQWPNS-AXFHLTTASA-N 1 0 213.365 2.418 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000134177216 176889156 /nfs/dbraw/zinc/88/91/56/176889156.db2.gz YFOYIASKEULIOQ-UTLUCORTSA-N 1 0 213.346 2.416 10 0 BEAERO C[C@H](O)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000035627711 177017411 /nfs/dbraw/zinc/01/74/11/177017411.db2.gz MZUACQGKGYRHGR-LBPRGKRZSA-N 1 0 235.327 2.215 10 0 BEAERO C[C@H](O)c1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000035650470 177018047 /nfs/dbraw/zinc/01/80/47/177018047.db2.gz DHYPRQBGPWTTEU-LBPRGKRZSA-N 1 0 248.370 2.270 10 0 BEAERO C[C@H](OC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000040430510 177020329 /nfs/dbraw/zinc/02/03/29/177020329.db2.gz AYPYSUHQDDSYHI-JQWIXIFHSA-N 1 0 219.284 2.043 10 0 BEAERO C[C@H](OCC1CC[NH2+]CC1)c1ccccn1 ZINC000095068558 177021037 /nfs/dbraw/zinc/02/10/37/177021037.db2.gz RKYMSWRTTXOUGH-NSHDSACASA-N 1 0 220.316 2.159 10 0 BEAERO C[C@H]([C@@H]([NH3+])c1ccccc1)n1cccn1 ZINC000023069470 177030544 /nfs/dbraw/zinc/03/05/44/177030544.db2.gz QXCGMKHNKONLCC-ZYHUDNBSSA-N 1 0 201.273 2.144 10 0 BEAERO C[C@H]([C@@H]1CCCO1)n1c(N)[nH+]c2ccccc21 ZINC000035736352 177031120 /nfs/dbraw/zinc/03/11/20/177031120.db2.gz PIMCYCLINGXPQD-SKDRFNHKSA-N 1 0 231.299 2.359 10 0 BEAERO C[C@H]([C@H]1CCCO1)n1c(N)[nH+]c2ccccc21 ZINC000035736354 177032091 /nfs/dbraw/zinc/03/20/91/177032091.db2.gz PIMCYCLINGXPQD-BXKDBHETSA-N 1 0 231.299 2.359 10 0 BEAERO C[C@H](c1cccc(N)c1)[NH+]1CCSCC1 ZINC000040908097 177036418 /nfs/dbraw/zinc/03/64/18/177036418.db2.gz MDLLDXVAINOCJW-SNVBAGLBSA-N 1 0 222.357 2.379 10 0 BEAERO C[C@H](c1cccc(N)c1)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000104136977 177036460 /nfs/dbraw/zinc/03/64/60/177036460.db2.gz IPDIIXLJKJMVNY-GFCCVEGCSA-N 1 0 247.386 2.356 10 0 BEAERO C[C@H](c1ccccc1)[n+]1nn(C)c2ccccc21 ZINC000005374697 177041590 /nfs/dbraw/zinc/04/15/90/177041590.db2.gz UJHOVCNREXNLGK-GFCCVEGCSA-N 1 0 238.314 2.470 10 0 BEAERO C[C@H](c1ccccn1)N(C)[C@H]1CCCC[NH2+]1 ZINC000242463738 177043589 /nfs/dbraw/zinc/04/35/89/177043589.db2.gz DILMUIWNBOBMBE-YPMHNXCESA-N 1 0 219.332 2.174 10 0 BEAERO C[C@H](c1ccco1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095068223 177047338 /nfs/dbraw/zinc/04/73/38/177047338.db2.gz GVTKPXADRRXCPK-VXGBXAGGSA-N 1 0 222.332 2.272 10 0 BEAERO C[C@H](c1cccs1)N(C)[C@H]1CC[NH2+]C1 ZINC000095068187 177048874 /nfs/dbraw/zinc/04/88/74/177048874.db2.gz RTJMRFHGBSOCGT-ZJUUUORDSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@H](c1ccco1)N1CCC[NH2+]CCC1 ZINC000049666205 177049414 /nfs/dbraw/zinc/04/94/14/177049414.db2.gz ILXMQZVHHSMZIW-LLVKDONJSA-N 1 0 208.305 2.026 10 0 BEAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCc1nnc[nH]1 ZINC000120034341 177063398 /nfs/dbraw/zinc/06/33/98/177063398.db2.gz ZDOQLTHXWWACSR-QWRGUYRKSA-N 1 0 236.363 2.152 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(c2cnn(C)c2)C1 ZINC000043461909 177063609 /nfs/dbraw/zinc/06/36/09/177063609.db2.gz FXAWBLPSAMJFAO-GXFFZTMASA-N 1 0 221.348 2.420 10 0 BEAERO C[C@H]1CCCC[N@@H+]1C1(CN)CCSCC1 ZINC000042334898 177073998 /nfs/dbraw/zinc/07/39/98/177073998.db2.gz XGIADZHHOJBSMA-NSHDSACASA-N 1 0 228.405 2.085 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CC1(CO)CCCC1 ZINC000049815050 177075692 /nfs/dbraw/zinc/07/56/92/177075692.db2.gz RBUGFQAYQPRWII-LBPRGKRZSA-N 1 0 211.349 2.414 10 0 BEAERO C[C@H]1CCCC[N@@H+]1[C@@H]1COc2ccccc2[C@@H]1O ZINC000044116174 177079196 /nfs/dbraw/zinc/07/91/96/177079196.db2.gz ZIAJAHNHZIKPEM-LNSITVRQSA-N 1 0 247.338 2.355 10 0 BEAERO C[C@H]1CCCC[C@@H]1Oc1ccc(C[NH3+])cn1 ZINC000019280538 177084469 /nfs/dbraw/zinc/08/44/69/177084469.db2.gz BUNFRNZKPAUJIK-JQWIXIFHSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCCC[C@@H]1Oc1cccc(C[NH3+])n1 ZINC000051524761 177084599 /nfs/dbraw/zinc/08/45/99/177084599.db2.gz CPQYWYKPDVWPQP-JQWIXIFHSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCCC[C@@H]1OCc1cc(C[NH3+])no1 ZINC000052620770 177084670 /nfs/dbraw/zinc/08/46/70/177084670.db2.gz NWGNYMKUKYXGMQ-CABZTGNLSA-N 1 0 224.304 2.229 10 0 BEAERO C[C@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1ccncc1 ZINC000036775727 177085667 /nfs/dbraw/zinc/08/56/67/177085667.db2.gz ZZDBJKTZMIKCAJ-ZFWWWQNUSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000037623153 177088278 /nfs/dbraw/zinc/08/82/78/177088278.db2.gz IESZVLHJESFRLI-YWPUVAFDSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152238 177088707 /nfs/dbraw/zinc/08/87/07/177088707.db2.gz UGSLQOUTAXOKRB-YWPUVAFDSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H]1CCCN(C(=O)/C=C/C(C)(C)C)[C@H]1C[NH3+] ZINC000237574230 177091245 /nfs/dbraw/zinc/09/12/45/177091245.db2.gz JKOBEZMLSDBZPL-BRQSLIGTSA-N 1 0 238.375 2.175 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH2+]C1CCCC1 ZINC000050565602 177092214 /nfs/dbraw/zinc/09/22/14/177092214.db2.gz RHRPSMKWLPPOLZ-NWDGAFQWSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[N@H+]1C1(CN)CCCC1 ZINC000050563969 177096306 /nfs/dbraw/zinc/09/63/06/177096306.db2.gz LJJKYTDIDQHBSQ-NWDGAFQWSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@H]1CCC[N@H+](CC(=O)c2ccn(C)c2)CC1 ZINC000104354837 177096554 /nfs/dbraw/zinc/09/65/54/177096554.db2.gz HLTSCKAHTWLDOB-LBPRGKRZSA-N 1 0 234.343 2.330 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCNCc1cccnc1 ZINC000053387018 177097411 /nfs/dbraw/zinc/09/74/11/177097411.db2.gz AOARHJQCXCWWKB-UONOGXRCSA-N 1 0 247.386 2.292 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1Cc1csc(C[NH3+])n1 ZINC000052373377 177101518 /nfs/dbraw/zinc/10/15/18/177101518.db2.gz AEEQRUVKWMIWGF-VHSXEESVSA-N 1 0 239.388 2.222 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@H](CN)Cc2ccccc2)C1 ZINC000036874652 177105239 /nfs/dbraw/zinc/10/52/39/177105239.db2.gz VIWDYINCGBDMID-ZFWWWQNUSA-N 1 0 232.371 2.288 10 0 BEAERO C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(N)c1 ZINC000037909836 177108585 /nfs/dbraw/zinc/10/85/85/177108585.db2.gz GZFONXVQPGVEKB-NSHDSACASA-N 1 0 247.342 2.082 10 0 BEAERO C[C@H]1CCC[N@@H+]1Cc1cc(N)cc2c1OCOC2 ZINC000037909706 177111132 /nfs/dbraw/zinc/11/11/32/177111132.db2.gz HXEIDRDIVDXGDJ-JTQLQIEISA-N 1 0 248.326 2.120 10 0 BEAERO C[C@H]1CCCN1c1cc(C[NH2+]C2CC2)ccn1 ZINC000051398805 177111462 /nfs/dbraw/zinc/11/14/62/177111462.db2.gz HRZMRQLSYBXPCE-NSHDSACASA-N 1 0 231.343 2.322 10 0 BEAERO C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc2[C@@H]1N ZINC000037910546 177111900 /nfs/dbraw/zinc/11/19/00/177111900.db2.gz QSDUHODVKJKQLU-GLQYFDAESA-N 1 0 230.355 2.486 10 0 BEAERO C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000037910270 177112322 /nfs/dbraw/zinc/11/23/22/177112322.db2.gz FHPMANAUHCRLIN-GWCFXTLKSA-N 1 0 222.307 2.310 10 0 BEAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)Nc1ccccc1 ZINC000051791920 177112898 /nfs/dbraw/zinc/11/28/98/177112898.db2.gz WOSWUXGBZWFEER-JQWIXIFHSA-N 1 0 218.300 2.013 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N2CCC(C)(C)CC2)[NH2+]1 ZINC000061822073 177113013 /nfs/dbraw/zinc/11/30/13/177113013.db2.gz IFAHKTSEIMZUBT-RYUDHWBXSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N(C)C2CCCCC2)[NH2+]1 ZINC000019514190 177113113 /nfs/dbraw/zinc/11/31/13/177113113.db2.gz IDLATLGKYILAAP-AAEUAGOBSA-N 1 0 238.375 2.308 10 0 BEAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1cc[nH]n1 ZINC000041013922 177114170 /nfs/dbraw/zinc/11/41/70/177114170.db2.gz AVGXUKZAHAOHOV-DHHPTOIESA-N 1 0 207.321 2.324 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000122490196 177115505 /nfs/dbraw/zinc/11/55/05/177115505.db2.gz XZKAOOUUSAWTND-QNWHQSFQSA-N 1 0 238.375 2.293 10 0 BEAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC(N)=S ZINC000019518815 177116353 /nfs/dbraw/zinc/11/63/53/177116353.db2.gz NZSYGLHLRHVWSH-AOOOYVTPSA-N 1 0 214.378 2.316 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1CC[NH2+]CC1CC1 ZINC000037478530 177117051 /nfs/dbraw/zinc/11/70/51/177117051.db2.gz UFLBEKWBKDKIHU-TXEJJXNPSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H]1[C@H]([NH+]2CCC(=O)CC2)CCC[C@@H]1C ZINC000019436653 177121726 /nfs/dbraw/zinc/12/17/26/177121726.db2.gz PIMWGAJFYCFNOK-DMDPSCGWSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]1[C@H]([NH2+]Cc2csnn2)CCC[C@@H]1C ZINC000036901962 177122882 /nfs/dbraw/zinc/12/28/82/177122882.db2.gz VCTUKORKCFBIDB-IQJOONFLSA-N 1 0 225.361 2.452 10 0 BEAERO C[C@H]1CCC[C@@]([NH2+]C2CCCCC2)(C(N)=O)C1 ZINC000037969665 177127554 /nfs/dbraw/zinc/12/75/54/177127554.db2.gz PDQJSWKTFPWRIF-FZMZJTMJSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)N2CCc3ccccc32)[NH2+]1 ZINC000019473951 177128868 /nfs/dbraw/zinc/12/88/68/177128868.db2.gz OKBDVQZEEQZMEZ-WCQYABFASA-N 1 0 244.338 2.106 10 0 BEAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1csc(N)n1 ZINC000036732537 177132482 /nfs/dbraw/zinc/13/24/82/177132482.db2.gz KPFGMCHNMGXYOG-IUCAKERBSA-N 1 0 225.361 2.488 10 0 BEAERO C[C@H]1CCC[C@](CN)([NH+]2CCCCC2)C1 ZINC000019436243 177143438 /nfs/dbraw/zinc/14/34/38/177143438.db2.gz CBTZRGDTKZXRRG-STQMWFEESA-N 1 0 210.365 2.380 10 0 BEAERO C[C@H]1CCC[C@](CN)([N@@H+]2CCCSCC2)C1 ZINC000042443560 177143715 /nfs/dbraw/zinc/14/37/15/177143715.db2.gz ZQURSAWNDIIHRF-STQMWFEESA-N 1 0 242.432 2.333 10 0 BEAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2cscn2)C1 ZINC000053117435 177143806 /nfs/dbraw/zinc/14/38/06/177143806.db2.gz CICZHGLUYNPLFD-JQWIXIFHSA-N 1 0 240.372 2.174 10 0 BEAERO C[C@H]1CCN(C(=O)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000235648572 177146035 /nfs/dbraw/zinc/14/60/35/177146035.db2.gz ADAODLXZFQHAAT-AAEUAGOBSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CCN(C(=O)CC2CCC(C[NH3+])CC2)C1 ZINC000104123343 177146376 /nfs/dbraw/zinc/14/63/76/177146376.db2.gz SLCOUPNDJVFRNR-HIFPTAJRSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1CCN(Cc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666517 177165063 /nfs/dbraw/zinc/16/50/63/177165063.db2.gz GGZSFOUYDYQNTR-BETUJISGSA-N 1 0 233.359 2.044 10 0 BEAERO C[C@H]1CCN([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000044372461 177169789 /nfs/dbraw/zinc/16/97/89/177169789.db2.gz ROEIWNGZCARBDZ-GWCFXTLKSA-N 1 0 222.307 2.167 10 0 BEAERO C[C@H]1CCN(c2cccc(F)c2F)CC[NH2+]1 ZINC000049662303 177170991 /nfs/dbraw/zinc/17/09/91/177170991.db2.gz SNQLMBXDTMMQSW-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO C[C@H]1CCN(c2nc3ccccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000235690069 177172333 /nfs/dbraw/zinc/17/23/33/177172333.db2.gz TXYVXAKFNXSJNV-WDEREUQCSA-N 1 0 244.342 2.127 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1nc2ccccc2o1 ZINC000335656463 177174158 /nfs/dbraw/zinc/17/41/58/177174158.db2.gz ILJFMUZQDUUWQW-ONGXEEELSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncc(Cl)cc1F ZINC000335657208 177175557 /nfs/dbraw/zinc/17/55/57/177175557.db2.gz OIXLFBVYFHDXLP-OIBJUYFYSA-N 1 0 243.713 2.284 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000034717520 177181247 /nfs/dbraw/zinc/18/12/47/177181247.db2.gz OMAUIJHXPWXTPA-WUHRBBMRSA-N 1 0 238.375 2.164 10 0 BEAERO C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C[NH3+])cc1 ZINC000122160311 177185921 /nfs/dbraw/zinc/18/59/21/177185921.db2.gz LMCHJEZUZGQDDZ-PHIMTYICSA-N 1 0 232.327 2.158 10 0 BEAERO C[C@H]1CC[C@@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000294018873 177192107 /nfs/dbraw/zinc/19/21/07/177192107.db2.gz HFCZIAJOQQASIY-CMPLNLGQSA-N 1 0 232.327 2.334 10 0 BEAERO C[C@H]1C[NH+](CC[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000285045871 177253831 /nfs/dbraw/zinc/25/38/31/177253831.db2.gz CMJMYWPNEBLCGB-KCQAQPDRSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@H]1C[N@H+](Cc2ccccn2)CCS1 ZINC000171688055 177266910 /nfs/dbraw/zinc/26/69/10/177266910.db2.gz BECAORGOWNCBDX-JTQLQIEISA-N 1 0 208.330 2.019 10 0 BEAERO C[C@H]1CN(c2cc(F)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000061094242 177275917 /nfs/dbraw/zinc/27/59/17/177275917.db2.gz DKUPTXNOGGTQCZ-CPCISQLKSA-N 1 0 244.260 2.277 10 0 BEAERO C[C@H]1CN(c2cccc(Cl)n2)C[C@H]1[NH+](C)C ZINC000251615381 177277345 /nfs/dbraw/zinc/27/73/45/177277345.db2.gz DQPSOZWLQVUASS-VHSXEESVSA-N 1 0 239.750 2.121 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2ccc(F)c(F)c2)C1 ZINC000049664653 177281448 /nfs/dbraw/zinc/28/14/48/177281448.db2.gz ITNJGIGZVLHHLJ-JTQLQIEISA-N 1 0 240.297 2.401 10 0 BEAERO C[C@H]1CNC(C)(C)C[N@@H+]1C1CCCCC1 ZINC000041225123 177281832 /nfs/dbraw/zinc/28/18/32/177281832.db2.gz NIJVLEXSFYYLLB-NSHDSACASA-N 1 0 210.365 2.391 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2ccc(N(C)C)cc2)C1 ZINC000049666423 177282111 /nfs/dbraw/zinc/28/21/11/177282111.db2.gz WMUVMDVHEWNJCB-ZDUSSCGKSA-N 1 0 247.386 2.188 10 0 BEAERO C[C@H]1C[NH2+]CCCN(Cc2ccccc2F)C1 ZINC000049664519 177282189 /nfs/dbraw/zinc/28/21/89/177282189.db2.gz NOKVERNGXBPIBW-LBPRGKRZSA-N 1 0 236.334 2.257 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H]1c1nc2c(cccc2F)n1C ZINC000104225393 177285226 /nfs/dbraw/zinc/28/52/26/177285226.db2.gz XBPQIQVDYRITLX-IUCAKERBSA-N 1 0 233.290 2.035 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](C)N1CCCc1ccccc1 ZINC000019801304 177286322 /nfs/dbraw/zinc/28/63/22/177286322.db2.gz QSKCRZDQFVKMFM-KBPBESRZSA-N 1 0 232.371 2.301 10 0 BEAERO C[C@H]1CO[C@H](c2c(F)cccc2F)C[NH2+]1 ZINC000036986487 177302571 /nfs/dbraw/zinc/30/25/71/177302571.db2.gz WMVBIWWNGZIJEU-XVKPBYJWSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@H]1CSC(NCc2ccc(F)cc2)=[NH+]1 ZINC000035294950 177302754 /nfs/dbraw/zinc/30/27/54/177302754.db2.gz XCSXRCJRXXRAQL-QMMMGPOBSA-N 1 0 224.304 2.407 10 0 BEAERO C[C@H](Cc1ccco1)NC1=[NH+][C@@H](C)CS1 ZINC000042592127 177303378 /nfs/dbraw/zinc/30/33/78/177303378.db2.gz QFDFBZMYMHQPFV-BDAKNGLRSA-N 1 0 224.329 2.292 10 0 BEAERO C[C@H](NC1=[NH+][C@@H](C)CS1)c1cccnc1 ZINC000035692462 177303455 /nfs/dbraw/zinc/30/34/55/177303455.db2.gz NURRXWLYUJDEIH-IUCAKERBSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[C@H](C)CN(CC[NH2+]C2CCCC2)C1 ZINC000037482399 177313726 /nfs/dbraw/zinc/31/37/26/177313726.db2.gz ZOFDBNNSTAHXMK-BETUJISGSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019274124 177314102 /nfs/dbraw/zinc/31/41/02/177314102.db2.gz ZUZBGWZLYDNQII-SCRDCRAPSA-N 1 0 233.359 2.059 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccoc2CN)C1 ZINC000052420664 177314568 /nfs/dbraw/zinc/31/45/68/177314568.db2.gz KQUWQTLHPQKKMX-PHIMTYICSA-N 1 0 222.332 2.216 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])[C@H](C)N(Cc2ccccc2)C1 ZINC000068593050 177326582 /nfs/dbraw/zinc/32/65/82/177326582.db2.gz MPGWATXLKGPBOP-SGMGOOAPSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@H]1C[C@@H](OC(=O)CC[NH3+])CC(C)(C)C1 ZINC000040410912 177338222 /nfs/dbraw/zinc/33/82/22/177338222.db2.gz ZNYPJDHEAFFIRF-VHSXEESVSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@H]1C[C@@H](c2ccc3c(c2)CCN3C)C[NH2+]1 ZINC000070586701 177338720 /nfs/dbraw/zinc/33/87/20/177338720.db2.gz ANIRPVXXTYXSKE-GXFFZTMASA-N 1 0 216.328 2.144 10 0 BEAERO C[C@H]1C[C@H](C)C[NH+]([C@@H]2CCCCC2=O)C1 ZINC000037331847 177358572 /nfs/dbraw/zinc/35/85/72/177358572.db2.gz NMIWPAMXCIMFPO-SDDRHHMPSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cccnc2)C1 ZINC000019261415 177358899 /nfs/dbraw/zinc/35/88/99/177358899.db2.gz JPQSIQUAQMFLSO-OBJOEFQTSA-N 1 0 233.359 2.059 10 0 BEAERO C[C@H]1C[C@H]1CN(C)c1ccc(F)cc1CC[NH3+] ZINC000104409597 177379680 /nfs/dbraw/zinc/37/96/80/177379680.db2.gz TXZDNPUKYSUSPO-JQWIXIFHSA-N 1 0 236.334 2.419 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000278661153 177385505 /nfs/dbraw/zinc/38/55/05/177385505.db2.gz NHUXRFAOUUZMTI-GZMMTYOYSA-N 1 0 217.272 2.168 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000373761744 177385605 /nfs/dbraw/zinc/38/56/05/177385605.db2.gz BDMKLINPBUUTOF-GMKTYKIGSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]1Cc2ccccc2N1CC(C)(C)C[NH3+] ZINC000049816984 177390360 /nfs/dbraw/zinc/39/03/60/177390360.db2.gz VLPYRQPYVOKARK-NSHDSACASA-N 1 0 218.344 2.423 10 0 BEAERO C[C@H]1Cc2ccccc2N1CCCC[NH3+] ZINC000019276251 177390680 /nfs/dbraw/zinc/39/06/80/177390680.db2.gz PKFHGOFPTRYHJL-NSHDSACASA-N 1 0 204.317 2.177 10 0 BEAERO C[C@H]1[NH2+]CCCO[C@H]1c1ccc(F)cc1 ZINC000035598681 177394978 /nfs/dbraw/zinc/39/49/78/177394978.db2.gz NWTKVJVCCPARDE-BXKDBHETSA-N 1 0 209.264 2.265 10 0 BEAERO C[C@H]1[NH2+]CCO[C@@H]1c1ccc(Cl)cc1 ZINC000003604764 177396386 /nfs/dbraw/zinc/39/63/86/177396386.db2.gz LKRMGIFWZXHLGL-KCJUWKMLSA-N 1 0 211.692 2.389 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000134244459 177402091 /nfs/dbraw/zinc/40/20/91/177402091.db2.gz OODLEELZDBEJMN-HQJQHLMTSA-N 1 0 245.244 2.371 10 0 BEAERO C[C@](O)(C[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000055032607 177448922 /nfs/dbraw/zinc/44/89/22/177448922.db2.gz XIMLMUVDKISLGD-VIFPVBQESA-N 1 0 238.089 2.299 10 0 BEAERO C[C@](O)(C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000071543376 177449093 /nfs/dbraw/zinc/44/90/93/177449093.db2.gz BUYANNPASVBUTQ-SNVBAGLBSA-N 1 0 234.126 2.246 10 0 BEAERO Cc1c(CCC[NH3+])c2cccc3c2n1CC3 ZINC000004013383 177581909 /nfs/dbraw/zinc/58/19/09/177581909.db2.gz INJXDOUPTDVAGP-UHFFFAOYSA-N 1 0 214.312 2.397 10 0 BEAERO Cc1c(C[NH2+]CC2(C3CC3)CC2)cnn1C ZINC000119308430 177590422 /nfs/dbraw/zinc/59/04/22/177590422.db2.gz TYWDMJPZCVLUKU-UHFFFAOYSA-N 1 0 219.332 2.008 10 0 BEAERO Cc1c(F)cccc1NC1CC[NH2+]CC1 ZINC000043320415 177608338 /nfs/dbraw/zinc/60/83/38/177608338.db2.gz DNCRZWZBDDWSHH-UHFFFAOYSA-N 1 0 208.280 2.298 10 0 BEAERO C[C@@H](Nc1cccc(CCCO)c1)[C@H]1CC[NH2+]C1 ZINC000400503981 226345300 /nfs/dbraw/zinc/34/53/00/226345300.db2.gz CSJMDOQVTYTQTR-OCCSQVGLSA-N 1 0 248.370 2.021 10 0 BEAERO COc1cc(N[C@H](C)[C@H]2CC[NH2+]C2)ccc1F ZINC000400509300 226345407 /nfs/dbraw/zinc/34/54/07/226345407.db2.gz KZMJGXDQJTXRDP-ZJUUUORDSA-N 1 0 238.306 2.244 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000228478483 487655121 /nfs/dbraw/zinc/65/51/21/487655121.db2.gz WDVLVBWIXCFQLO-YNEHKIRRSA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000228481488 487656755 /nfs/dbraw/zinc/65/67/55/487656755.db2.gz HUVDPNKNNYWLFB-UPJWGTAASA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000228488333 487657528 /nfs/dbraw/zinc/65/75/28/487657528.db2.gz CVOOTUVLCPUKGZ-YNEHKIRRSA-N 1 0 240.391 2.302 10 0 BEAERO COCC[N@H+](CC(C)C)C[C@H]1CCC[C@H](O)C1 ZINC000383663401 487658939 /nfs/dbraw/zinc/65/89/39/487658939.db2.gz JZKPANAGXHHOPZ-KBPBESRZSA-N 1 0 243.391 2.142 10 0 BEAERO CCOC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000383884243 487678592 /nfs/dbraw/zinc/67/85/92/487678592.db2.gz KGPJXLFNYSUXDO-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCO[C@H]21 ZINC000397760912 262932199 /nfs/dbraw/zinc/93/21/99/262932199.db2.gz VNSHGCXHKGFMOZ-LIBFEPKXSA-N 1 0 221.344 2.188 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCCNC1=O)[C@@H]1CC1(C)C ZINC000397795817 262933905 /nfs/dbraw/zinc/93/39/05/262933905.db2.gz DUAJGFCZCZAZOV-SRVKXCTJSA-N 1 0 238.375 2.069 10 0 BEAERO COc1cc(C)ccc1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400388628 533686031 /nfs/dbraw/zinc/68/60/31/533686031.db2.gz MMTYWTGPSCHBME-VXGBXAGGSA-N 1 0 234.343 2.414 10 0 BEAERO CCN(C(=O)C[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000136303668 487723688 /nfs/dbraw/zinc/72/36/88/487723688.db2.gz VOBMLFSBODNTOH-ZDUSSCGKSA-N 1 0 234.343 2.413 10 0 BEAERO C[C@H](NC(=O)CC(C)(C)[NH3+])c1cccs1 ZINC000082771833 487729859 /nfs/dbraw/zinc/72/98/59/487729859.db2.gz JFJYMCBUJVDGMI-QMMMGPOBSA-N 1 0 226.345 2.053 10 0 BEAERO Cc1cccc(CN(C)[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000042435679 487744755 /nfs/dbraw/zinc/74/47/55/487744755.db2.gz FRSKGYPLBFXESV-NSHDSACASA-N 1 0 246.276 2.316 10 0 BEAERO Cc1cccc(CN(C)[C@H](C[NH3+])C(F)(F)F)c1 ZINC000042435680 487744774 /nfs/dbraw/zinc/74/47/74/487744774.db2.gz FRSKGYPLBFXESV-LLVKDONJSA-N 1 0 246.276 2.316 10 0 BEAERO [NH3+]C1(c2noc([C@@H]3C[C@H]4C[C@H]4C3)n2)CCCC1 ZINC000251022421 487745756 /nfs/dbraw/zinc/74/57/56/487745756.db2.gz FHKFWZZVGKCEMQ-ILWJIGKKSA-N 1 0 233.315 2.311 10 0 BEAERO C[C@@H]1CC[C@H](C)N(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000088705443 487746088 /nfs/dbraw/zinc/74/60/88/487746088.db2.gz MBYKHXYUBOBNBM-AGIUHOORSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC)C2)CCO1 ZINC000251452938 487756269 /nfs/dbraw/zinc/75/62/69/487756269.db2.gz AEHOYXHSPUEKAT-MELADBBJSA-N 1 0 240.391 2.018 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC)C2)CCO1 ZINC000251452934 487756291 /nfs/dbraw/zinc/75/62/91/487756291.db2.gz AEHOYXHSPUEKAT-HZSPNIEDSA-N 1 0 240.391 2.018 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CC1=CCCCC1 ZINC000089091284 487760526 /nfs/dbraw/zinc/76/05/26/487760526.db2.gz SRHKUEQLTKXZDA-OLZOCXBDSA-N 1 0 236.359 2.121 10 0 BEAERO CC(C)C[C@@H](N)C[N@H+](CC1CC1)C(C)C ZINC000042593631 487761606 /nfs/dbraw/zinc/76/16/06/487761606.db2.gz BMVPESYALRXJTD-CYBMUJFWSA-N 1 0 212.381 2.480 10 0 BEAERO CC[C@H]1CN(c2nc3ccccc3[nH]2)CC[C@H]1[NH3+] ZINC000251527979 487766281 /nfs/dbraw/zinc/76/62/81/487766281.db2.gz AFWNZTDBFYHYPX-WDEREUQCSA-N 1 0 244.342 2.127 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2CO)C[C@H](C)O1 ZINC000300415337 487783001 /nfs/dbraw/zinc/78/30/01/487783001.db2.gz TYNVCNNZSVIZRD-ZUWCUPBKSA-N 1 0 241.375 2.083 10 0 BEAERO C[C@@H]1CC[C@H](C)N(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000251803451 487799990 /nfs/dbraw/zinc/79/99/90/487799990.db2.gz MBYKHXYUBOBNBM-FRRDWIJNSA-N 1 0 238.375 2.023 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000367602676 487816017 /nfs/dbraw/zinc/81/60/17/487816017.db2.gz VIMIXFZOKUEPTO-OFTGVCEQSA-N 1 0 227.323 2.424 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000089449534 487816156 /nfs/dbraw/zinc/81/61/56/487816156.db2.gz ZJZMZLZFSIYHHH-SKDRFNHKSA-N 1 0 236.290 2.139 10 0 BEAERO CCCN(CC1CC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089451115 487818317 /nfs/dbraw/zinc/81/83/17/487818317.db2.gz INWBEKQLLHPPEW-QWHCGFSZSA-N 1 0 238.375 2.010 10 0 BEAERO COc1ccccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089448703 487818325 /nfs/dbraw/zinc/81/83/25/487818325.db2.gz PMNIOUPTXDPTOD-WDEREUQCSA-N 1 0 248.326 2.009 10 0 BEAERO CCC1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457623 487819625 /nfs/dbraw/zinc/81/96/25/487819625.db2.gz KFMJYNQBEXIPEJ-QWHCGFSZSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252176353 487820212 /nfs/dbraw/zinc/82/02/12/487820212.db2.gz PAPSMKOJMWBYFL-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000252174106 487820227 /nfs/dbraw/zinc/82/02/27/487820227.db2.gz OPTRKLJIUIELSI-FVCCEPFGSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000089456215 487819812 /nfs/dbraw/zinc/81/98/12/487819812.db2.gz BPDFORCPYKAGIA-YPMHNXCESA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@H]1C ZINC000252209236 487822406 /nfs/dbraw/zinc/82/24/06/487822406.db2.gz VWLNHUCSNJGRKV-QJPTWQEYSA-N 1 0 226.364 2.007 10 0 BEAERO CC1(C)CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000089462863 487823135 /nfs/dbraw/zinc/82/31/35/487823135.db2.gz XLEVZPGZEYZZMT-NWDGAFQWSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089462785 487823303 /nfs/dbraw/zinc/82/33/03/487823303.db2.gz WQVMIHUDYOMBDN-KWCYVHTRSA-N 1 0 246.354 2.239 10 0 BEAERO CC1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000089461057 487823953 /nfs/dbraw/zinc/82/39/53/487823953.db2.gz YAQXSPAVLVXGTQ-VXGBXAGGSA-N 1 0 238.375 2.200 10 0 BEAERO CCC(CC)(CC)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089482213 487826157 /nfs/dbraw/zinc/82/61/57/487826157.db2.gz OVSLVDMZMYAWEV-NEPJUHHUSA-N 1 0 240.391 2.446 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CCOc3ccccc32)C1 ZINC000401795090 487832886 /nfs/dbraw/zinc/83/28/86/487832886.db2.gz YHIPBHHSVYZHFQ-OBJOEFQTSA-N 1 0 246.354 2.098 10 0 BEAERO Cc1nnc(C[NH2+]C2CCCCC2)s1 ZINC000134664330 591945696 /nfs/dbraw/zinc/94/56/96/591945696.db2.gz TVLJSJYMVHDGSO-UHFFFAOYSA-N 1 0 211.334 2.269 10 0 BEAERO Fc1ccc(NCCC2CC[NH2+]CC2)nc1 ZINC000212568805 487848141 /nfs/dbraw/zinc/84/81/41/487848141.db2.gz MHFFZIONAUWHMS-UHFFFAOYSA-N 1 0 223.295 2.022 10 0 BEAERO CSCC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308540097 631420820 /nfs/dbraw/zinc/42/08/20/631420820.db2.gz MKYMWFVPUNEEJL-UWVGGRQHSA-N 1 0 219.394 2.125 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089746994 487851878 /nfs/dbraw/zinc/85/18/78/487851878.db2.gz VREBOZMZCUHPQQ-STQMWFEESA-N 1 0 246.354 2.172 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(F)cc1 ZINC000084446004 322960654 /nfs/dbraw/zinc/96/06/54/322960654.db2.gz QMUGAIZTNXYHRB-TTXORMCVSA-N 1 0 223.291 2.247 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1cccc(F)c1 ZINC000084445959 322960692 /nfs/dbraw/zinc/96/06/92/322960692.db2.gz QVDCGDNGYOZRJT-JBLZRFIASA-N 1 0 223.291 2.247 10 0 BEAERO CC(C)[C@H]1CN(c2ccc(Cl)cn2)CC[NH2+]1 ZINC000083367628 487904504 /nfs/dbraw/zinc/90/45/04/487904504.db2.gz DZLMDENUGDMFAQ-LLVKDONJSA-N 1 0 239.750 2.169 10 0 BEAERO CCC(CC)CNC(=O)C1CCC([NH3+])CC1 ZINC000157526977 487914682 /nfs/dbraw/zinc/91/46/82/487914682.db2.gz FVVLGGHSYSMCBH-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO Cc1nn(C)cc1-c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000235186248 487930526 /nfs/dbraw/zinc/93/05/26/487930526.db2.gz HKWMEZUYOLQDFD-SNVBAGLBSA-N 1 0 229.327 2.285 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000211771904 487939738 /nfs/dbraw/zinc/93/97/38/487939738.db2.gz RJFPAYBFRJDHLY-STQMWFEESA-N 1 0 240.391 2.446 10 0 BEAERO OCCC1(C[NH2+]C(C2CC2)C2CC2)CCC1 ZINC000130991943 323012374 /nfs/dbraw/zinc/01/23/74/323012374.db2.gz KGUZTWDAYZSTLE-UHFFFAOYSA-N 1 0 223.360 2.317 10 0 BEAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000569721616 323038836 /nfs/dbraw/zinc/03/88/36/323038836.db2.gz AJZGNCBQINCNOL-CFVMTHIKSA-N 1 0 245.366 2.419 10 0 BEAERO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2cscn2)C1 ZINC000161162528 323075844 /nfs/dbraw/zinc/07/58/44/323075844.db2.gz AETUNCZGALNFNL-WDEREUQCSA-N 1 0 239.388 2.278 10 0 BEAERO CC[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1 ZINC000125603264 323086641 /nfs/dbraw/zinc/08/66/41/323086641.db2.gz ARWJKUKZVMXHJN-CQSZACIVSA-N 1 0 244.342 2.409 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@H](C)C1CCCC1 ZINC000184640059 323090918 /nfs/dbraw/zinc/09/09/18/323090918.db2.gz RDIFNSJIQNQWDO-SNVBAGLBSA-N 1 0 236.363 2.275 10 0 BEAERO Cn1cc([C@@H]2[NH2+]CC23CCCCC3)cn1 ZINC000389596937 323151817 /nfs/dbraw/zinc/15/18/17/323151817.db2.gz QEWBBXRRTJLAEG-NSHDSACASA-N 1 0 205.305 2.015 10 0 BEAERO Cc1cc(C)cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000049096362 323157374 /nfs/dbraw/zinc/15/73/74/323157374.db2.gz UHRSHUHQEAWKOL-AWEZNQCLSA-N 1 0 246.354 2.127 10 0 BEAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccco1 ZINC000049395437 323160069 /nfs/dbraw/zinc/16/00/69/323160069.db2.gz LCGSKXQWWAYAKY-GFCCVEGCSA-N 1 0 244.294 2.135 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1COc2ccccc21 ZINC000324430083 323167219 /nfs/dbraw/zinc/16/72/19/323167219.db2.gz PWQKNLBZHYXAGD-RISCZKNCSA-N 1 0 249.354 2.159 10 0 BEAERO CSC[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162559292 323626823 /nfs/dbraw/zinc/62/68/23/323626823.db2.gz FAPPWHRMHOTKCJ-NAKRPEOUSA-N 1 0 229.389 2.141 10 0 BEAERO CC[C@]1(C[NH3+])COc2cc(C)c(C)cc2O1 ZINC000536953075 323959798 /nfs/dbraw/zinc/95/97/98/323959798.db2.gz FFUOQVUSTIXMSD-ZDUSSCGKSA-N 1 0 221.300 2.182 10 0 BEAERO CC[C@@H]1C[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000536955264 323965390 /nfs/dbraw/zinc/96/53/90/323965390.db2.gz VZRQVWGAXPXICP-MFKMUULPSA-N 1 0 205.301 2.408 10 0 BEAERO CC[C@@]1(C[NH3+])COc2c(C)ccc(C)c2O1 ZINC000536956275 323967183 /nfs/dbraw/zinc/96/71/83/323967183.db2.gz VTFUBTRHIQDKCN-CYBMUJFWSA-N 1 0 221.300 2.182 10 0 BEAERO [NH3+][C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H](O)C1 ZINC000536959377 323970998 /nfs/dbraw/zinc/97/09/98/323970998.db2.gz ITSQGSJOCFVOBT-WKFQBHICSA-N 1 0 232.110 2.302 10 0 BEAERO CC(C)c1nnc([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)o1 ZINC000536959614 323972187 /nfs/dbraw/zinc/97/21/87/323972187.db2.gz PENRLZBWWPIBOV-ILWJIGKKSA-N 1 0 223.320 2.437 10 0 BEAERO CC(C)Cn1ccc([C@H]2[NH2+]C[C@]23CCOC3)c1 ZINC000536961360 323975231 /nfs/dbraw/zinc/97/52/31/323975231.db2.gz ZOZMXYBQIFZRHL-KGLIPLIRSA-N 1 0 234.343 2.195 10 0 BEAERO CC(C)[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)C1CC1 ZINC000122284888 324037792 /nfs/dbraw/zinc/03/77/92/324037792.db2.gz PYDGSPYVRZWGLB-CQSZACIVSA-N 1 0 246.354 2.310 10 0 BEAERO COC[C@H](C)C[NH2+]C[C@@H](OC)c1ccccc1 ZINC000123117010 324082493 /nfs/dbraw/zinc/08/24/93/324082493.db2.gz GUODHJPUVGVKET-TZMCWYRMSA-N 1 0 237.343 2.246 10 0 BEAERO Cc1ccc(C[NH2+]CC2(CCO)CCC2)o1 ZINC000124464893 324617411 /nfs/dbraw/zinc/61/74/11/324617411.db2.gz RKOTZKOHBPUPDM-UHFFFAOYSA-N 1 0 223.316 2.230 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+]C(C1CC1)C1CC1 ZINC000127518491 324771969 /nfs/dbraw/zinc/77/19/69/324771969.db2.gz JLPTUDQNMFAMDD-LLVKDONJSA-N 1 0 224.392 2.495 10 0 BEAERO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000128264509 324817055 /nfs/dbraw/zinc/81/70/55/324817055.db2.gz UIDCUJCLZJHHCV-VXGBXAGGSA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1CCCSC1 ZINC000128269423 324817311 /nfs/dbraw/zinc/81/73/11/324817311.db2.gz AOEFSKFQNJXSRH-TUAOUCFPSA-N 1 0 231.405 2.269 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cccn1C ZINC000130749650 325084077 /nfs/dbraw/zinc/08/40/77/325084077.db2.gz JEQGFFMDXOTPQX-OAHLLOKOSA-N 1 0 249.402 2.235 10 0 BEAERO COC[C@@H](C)C[NH2+]CC1(N(C)C)CCCCC1 ZINC000131691332 325178007 /nfs/dbraw/zinc/17/80/07/325178007.db2.gz VEJMSLYHMSGBAR-ZDUSSCGKSA-N 1 0 242.407 2.123 10 0 BEAERO CCC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000134601979 325366947 /nfs/dbraw/zinc/36/69/47/325366947.db2.gz GBDIGNIMVXPYHK-QWHCGFSZSA-N 1 0 240.391 2.221 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000134980336 325386254 /nfs/dbraw/zinc/38/62/54/325386254.db2.gz UHKNTOSVTQQDNW-NWDGAFQWSA-N 1 0 244.338 2.341 10 0 BEAERO C[NH2+][C@@H]1CCCN(c2nc(C)cc(C(C)C)n2)C1 ZINC000122227764 487969270 /nfs/dbraw/zinc/96/92/70/487969270.db2.gz NIMFGEJHZLLRDT-GFCCVEGCSA-N 1 0 248.374 2.097 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc(Cl)cc1F ZINC000165726305 326425975 /nfs/dbraw/zinc/42/59/75/326425975.db2.gz UIZMVSHXBQAJRC-RQJHMYQMSA-N 1 0 231.702 2.412 10 0 BEAERO COC[C@H](C)[NH2+]Cc1cc(OC)ccc1Cl ZINC000309663244 487999835 /nfs/dbraw/zinc/99/98/35/487999835.db2.gz SFBBTOZZVCCUCJ-VIFPVBQESA-N 1 0 243.734 2.473 10 0 BEAERO Cc1cc(Br)cnc1[C@@H](C)[NH3+] ZINC000215338943 488009058 /nfs/dbraw/zinc/00/90/58/488009058.db2.gz DPNIINIKFQBHRO-ZCFIWIBFSA-N 1 0 215.094 2.172 10 0 BEAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C[C@H]1CCCCO1 ZINC000310504941 488035100 /nfs/dbraw/zinc/03/51/00/488035100.db2.gz KGIDHJRAGNWXMJ-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000052274182 488037330 /nfs/dbraw/zinc/03/73/30/488037330.db2.gz ZADJBNZBQUEWMS-NOZJJQNGSA-N 1 0 213.284 2.128 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)CC1 ZINC000084446550 488052332 /nfs/dbraw/zinc/05/23/32/488052332.db2.gz PSZYFILGVOTIIW-IGJPJIBNSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1ccc(CNC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000129025673 488068639 /nfs/dbraw/zinc/06/86/39/488068639.db2.gz MQBSJOCUAUTZRR-NSHDSACASA-N 1 0 240.372 2.046 10 0 BEAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000310527476 488069928 /nfs/dbraw/zinc/06/99/28/488069928.db2.gz PCOXFJCFORRWMG-AAVRWANBSA-N 1 0 241.375 2.037 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC1CCCC1 ZINC000129063626 488071866 /nfs/dbraw/zinc/07/18/66/488071866.db2.gz XCFAIIOOLHCMSY-GFCCVEGCSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H](C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000394449728 488091026 /nfs/dbraw/zinc/09/10/26/488091026.db2.gz GXJDTIAOAWKVHD-MNOVXSKESA-N 1 0 201.354 2.419 10 0 BEAERO COc1ccccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136292634 488092821 /nfs/dbraw/zinc/09/28/21/488092821.db2.gz CXQJTEGAQAVSQQ-JTQLQIEISA-N 1 0 236.315 2.007 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(CC1CC1)CC1CC1 ZINC000136467767 488103262 /nfs/dbraw/zinc/10/32/62/488103262.db2.gz UAXKKUURBFTVBL-ZDUSSCGKSA-N 1 0 238.375 2.008 10 0 BEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000148535335 488103042 /nfs/dbraw/zinc/10/30/42/488103042.db2.gz CAXIYXVXYXZYNA-FRRDWIJNSA-N 1 0 246.354 2.300 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000136445665 488103723 /nfs/dbraw/zinc/10/37/23/488103723.db2.gz FMDWKXWDXKIGMO-MCIONIFRSA-N 1 0 246.354 2.032 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC1CCCCC1 ZINC000148570755 488103916 /nfs/dbraw/zinc/10/39/16/488103916.db2.gz KZIVVZUXXKECIH-CYBMUJFWSA-N 1 0 240.391 2.399 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000092956541 488104646 /nfs/dbraw/zinc/10/46/46/488104646.db2.gz HABZZHHHACLWQR-BNOWGMLFSA-N 1 0 246.354 2.252 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000136467540 488104676 /nfs/dbraw/zinc/10/46/76/488104676.db2.gz DTVCJQOYAAFIJF-NDBYEHHHSA-N 1 0 240.391 2.301 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(CC1CC1)CC1CC1 ZINC000136467724 488104898 /nfs/dbraw/zinc/10/48/98/488104898.db2.gz UAXKKUURBFTVBL-CYBMUJFWSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378779878 488105037 /nfs/dbraw/zinc/10/50/37/488105037.db2.gz JBARBAHDRQGLQC-USZNOCQGSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1ccc(O)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136488631 488105918 /nfs/dbraw/zinc/10/59/18/488105918.db2.gz JHYSUEVIMRQDAW-SNVBAGLBSA-N 1 0 236.315 2.013 10 0 BEAERO Cc1occc1C[NH2+]CC[C@@H]1CCCO1 ZINC000320880335 488120083 /nfs/dbraw/zinc/12/00/83/488120083.db2.gz GXEZUMVPODOBOQ-LBPRGKRZSA-N 1 0 209.289 2.247 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382048197 487530503 /nfs/dbraw/zinc/53/05/03/487530503.db2.gz BDNJXNJFCWFHCZ-FQUUOJAGSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000094574599 487546705 /nfs/dbraw/zinc/54/67/05/487546705.db2.gz GPKAFNRXUISONA-QWRGUYRKSA-N 1 0 248.326 2.075 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382103932 487531682 /nfs/dbraw/zinc/53/16/82/487531682.db2.gz CIMUTOWEXFOKDX-ODXJTPSBSA-N 1 0 222.376 2.105 10 0 BEAERO CCC[N@@H+](Cc1cncnc1)C[C@@H]1CCCCO1 ZINC000119559272 487556633 /nfs/dbraw/zinc/55/66/33/487556633.db2.gz KFOBJGBGCLWUPJ-AWEZNQCLSA-N 1 0 249.358 2.258 10 0 BEAERO CN(CCC(C)(C)C)C(=O)C1CCC([NH3+])CC1 ZINC000258792011 488134781 /nfs/dbraw/zinc/13/47/81/488134781.db2.gz MMTSUUVZJFSRAX-UHFFFAOYSA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000658051808 487533530 /nfs/dbraw/zinc/53/35/30/487533530.db2.gz ADVRRGIWGVWHJS-YNEHKIRRSA-N 1 0 238.375 2.069 10 0 BEAERO O[C@H]1CCC[C@@H](C[NH+]2C3CCC2CC3)C1 ZINC000399336261 487473994 /nfs/dbraw/zinc/47/39/94/487473994.db2.gz RXGSLHGROSBTRU-XVSSEFHLSA-N 1 0 209.333 2.164 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000393903285 487474793 /nfs/dbraw/zinc/47/47/93/487474793.db2.gz CKCBVRBLKUKZRD-ZOLYEBIHSA-N 1 0 209.333 2.068 10 0 BEAERO C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2O ZINC000300585538 487492662 /nfs/dbraw/zinc/49/26/62/487492662.db2.gz CJAWCZBJODHCLG-MJVIPROJSA-N 1 0 247.338 2.394 10 0 BEAERO CC[N@H+](CC1CC1)C[C@H]1CCC[C@H](O)C1 ZINC000308816533 487522599 /nfs/dbraw/zinc/52/25/99/487522599.db2.gz BDVXXEKLWSBLIW-STQMWFEESA-N 1 0 211.349 2.269 10 0 BEAERO [NH3+]Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000250119707 487527140 /nfs/dbraw/zinc/52/71/40/487527140.db2.gz QQPRMCKYLVLXLD-ZSBIGDGJSA-N 1 0 230.311 2.130 10 0 BEAERO CCC(CC)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000053486307 487611095 /nfs/dbraw/zinc/61/10/95/487611095.db2.gz PDAUGEAIHINIBJ-RWMBFGLXSA-N 1 0 242.407 2.262 10 0 BEAERO Cc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H](O)C2)n1 ZINC000386733521 487892908 /nfs/dbraw/zinc/89/29/08/487892908.db2.gz BGDCHCSEGQUMDH-UKRRQHHQSA-N 1 0 248.370 2.373 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCS1 ZINC000379465366 488138114 /nfs/dbraw/zinc/13/81/14/488138114.db2.gz HYFULEFTLFEMAA-JHJVBQTASA-N 1 0 243.416 2.365 10 0 BEAERO CO[C@]1(C)CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000380036191 488167917 /nfs/dbraw/zinc/16/79/17/488167917.db2.gz HVHWZVMAOUAQNF-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO C[N@H+](CCC1CC1)C[C@H]1CCC[C@H](O)C1 ZINC000380072979 488171748 /nfs/dbraw/zinc/17/17/48/488171748.db2.gz JFOCSQLWRVIVHF-STQMWFEESA-N 1 0 211.349 2.269 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccccc1C1CC1 ZINC000310252925 488183726 /nfs/dbraw/zinc/18/37/26/488183726.db2.gz DXUBXKTZFPIPTI-XHDPSFHLSA-N 1 0 230.355 2.486 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CCC1 ZINC000322396270 488184405 /nfs/dbraw/zinc/18/44/05/488184405.db2.gz QHCOGVCCVGYUEI-AVGNSLFASA-N 1 0 211.349 2.458 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1 ZINC000085637866 488191511 /nfs/dbraw/zinc/19/15/11/488191511.db2.gz IXTLSUGQULEIRN-AVGNSLFASA-N 1 0 235.327 2.491 10 0 BEAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)c1ccccc1C ZINC000019410785 488228754 /nfs/dbraw/zinc/22/87/54/488228754.db2.gz IZZFYLHYGZVGES-ZDUSSCGKSA-N 1 0 246.354 2.348 10 0 BEAERO CC[C@@H]1C[C@@H](C)CN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000399287301 488228938 /nfs/dbraw/zinc/22/89/38/488228938.db2.gz WATMRYUVNWYMOA-FRRDWIJNSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H]1C[C@H](C)CN1C(=O)C1CCC([NH3+])CC1 ZINC000399576068 490097487 /nfs/dbraw/zinc/09/74/87/490097487.db2.gz JQGTXCNUUZJNNQ-WTIISPKJSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000302614222 490204116 /nfs/dbraw/zinc/20/41/16/490204116.db2.gz YTBNXJAVMWTCRG-JHJVBQTASA-N 1 0 240.391 2.397 10 0 BEAERO Cc1ccncc1CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000123852382 490264431 /nfs/dbraw/zinc/26/44/31/490264431.db2.gz LVDYMKQQVZGDGA-HNNXBMFYSA-N 1 0 247.386 2.352 10 0 BEAERO CC(C)[C@@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124116794 490295155 /nfs/dbraw/zinc/29/51/55/490295155.db2.gz KDUILIOUMLSKPA-LLVKDONJSA-N 1 0 246.354 2.107 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000229930569 490366877 /nfs/dbraw/zinc/36/68/77/490366877.db2.gz XIGJJFOTQJYONN-JQWIXIFHSA-N 1 0 248.374 2.082 10 0 BEAERO C[C@@H](O)CC[NH2+]CC(C)(C)c1ccccc1 ZINC000125419524 490431289 /nfs/dbraw/zinc/43/12/89/490431289.db2.gz AJYUBWAVCWKGGQ-GFCCVEGCSA-N 1 0 221.344 2.325 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(O)c1 ZINC000217671491 490479956 /nfs/dbraw/zinc/47/99/56/490479956.db2.gz NLWIZLHGCCNTIV-VHRBIJSZSA-N 1 0 235.327 2.346 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)CC2CCC2)c1 ZINC000127259025 490513845 /nfs/dbraw/zinc/51/38/45/490513845.db2.gz SEKHDUCDZMLDRM-GFCCVEGCSA-N 1 0 221.348 2.360 10 0 BEAERO CCCC[C@H](CC)CC[NH2+]CC(=O)N(C)C ZINC000128723403 490588001 /nfs/dbraw/zinc/58/80/01/490588001.db2.gz XWEPRYIMDANUJS-LBPRGKRZSA-N 1 0 228.380 2.271 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cncc(F)c1 ZINC000222655384 490654886 /nfs/dbraw/zinc/65/48/86/490654886.db2.gz SKILEEPJFKPODK-TVYUQYBPSA-N 1 0 238.306 2.175 10 0 BEAERO C[C@@H]([NH3+])Cc1n[nH]c2ccc(Cl)cc21 ZINC000000025581 491083746 /nfs/dbraw/zinc/08/37/46/491083746.db2.gz RIGRKJDNTIKRQD-ZCFIWIBFSA-N 1 0 209.680 2.106 10 0 BEAERO CCN(C[C@H](C)CO)c1ccccc1C ZINC000121322043 491102575 /nfs/dbraw/zinc/10/25/75/491102575.db2.gz JPDUIERGRXAWJR-NSHDSACASA-N 1 0 207.317 2.450 10 0 BEAERO CCn1cc(C[NH2+][C@@H](C(C)C)C2CC2)cn1 ZINC000129689775 491115628 /nfs/dbraw/zinc/11/56/28/491115628.db2.gz RGYOWKHCOYWUOX-ZDUSSCGKSA-N 1 0 221.348 2.427 10 0 BEAERO C[C@@H](CC1CCC1)[NH2+]C1CCC(O)CC1 ZINC000131947400 491134277 /nfs/dbraw/zinc/13/42/77/491134277.db2.gz NZCGCAMBSLWIDS-PKSQDBQZSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cncs1 ZINC000132339406 491135223 /nfs/dbraw/zinc/13/52/23/491135223.db2.gz RAEGWEUXRQSAGP-VHSXEESVSA-N 1 0 226.345 2.363 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000132633105 491137434 /nfs/dbraw/zinc/13/74/34/491137434.db2.gz IUPLDZJKHJWMJO-WXHSDQCUSA-N 1 0 211.349 2.458 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)no1 ZINC000309619362 491152633 /nfs/dbraw/zinc/15/26/33/491152633.db2.gz CSTAMSCBWHAZNP-MNOVXSKESA-N 1 0 224.304 2.203 10 0 BEAERO Cc1nc(C(=O)CC(C)C)sc1C[NH3+] ZINC000757125856 582500836 /nfs/dbraw/zinc/50/08/36/582500836.db2.gz UOHFUJZWBCZYKI-UHFFFAOYSA-N 1 0 212.318 2.139 10 0 BEAERO C[NH2+]Cc1sc(C(=O)[C@H]2C[C@@H]2C)nc1C ZINC000757126934 582501397 /nfs/dbraw/zinc/50/13/97/582501397.db2.gz WSWIAWRJSUDEFT-XPUUQOCRSA-N 1 0 224.329 2.010 10 0 BEAERO C[C@H]([NH3+])[C@H](C)c1nc([C@H]2CC2(C)C)no1 ZINC000300343178 582518488 /nfs/dbraw/zinc/51/84/88/582518488.db2.gz ASGLLDPBPOOELG-BIIVOSGPSA-N 1 0 209.293 2.034 10 0 BEAERO C[C@@H]1CCC[C@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757141026 582521543 /nfs/dbraw/zinc/52/15/43/582521543.db2.gz KLHBRDPZWKCTML-OCCSQVGLSA-N 1 0 239.359 2.309 10 0 BEAERO Cc1cc(C[C@](C)(C[NH3+])CO)ccc1Cl ZINC000757145479 582527731 /nfs/dbraw/zinc/52/77/31/582527731.db2.gz MERZWHLNRAOEOM-GFCCVEGCSA-N 1 0 227.735 2.148 10 0 BEAERO CC1(C)CCC2(CC1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757147731 582531393 /nfs/dbraw/zinc/53/13/93/582531393.db2.gz SRQWGIHEHQZLNG-ZDUSSCGKSA-N 1 0 239.359 2.452 10 0 BEAERO C1CCC2(CC1)CCOC1(CCOCC1)[NH2+]2 ZINC000757148296 582533034 /nfs/dbraw/zinc/53/30/34/582533034.db2.gz MYKSRGKLDAYVLX-UHFFFAOYSA-N 1 0 225.332 2.206 10 0 BEAERO CC[NH+]1CCC2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757150077 582533712 /nfs/dbraw/zinc/53/37/12/582533712.db2.gz PAVKOXZEQMKBFE-GFCCVEGCSA-N 1 0 240.391 2.081 10 0 BEAERO CCC1CCC2(CC1)[NH2+][C@@H](COC)CCO2 ZINC000757148647 582532853 /nfs/dbraw/zinc/53/28/53/582532853.db2.gz NTSASILHJKUQOA-OTTFEQOBSA-N 1 0 227.348 2.308 10 0 BEAERO CC[C@H]1CCC[C@@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757153854 582538978 /nfs/dbraw/zinc/53/89/78/582538978.db2.gz ZPZSBZKSFDYYRE-GXTWGEPZSA-N 1 0 239.359 2.452 10 0 BEAERO Cc1cc(C[S@@](=O)[C@@H](C)C[NH3+])ccc1Cl ZINC000757155474 582540099 /nfs/dbraw/zinc/54/00/99/582540099.db2.gz CZZVWYKXCUCPNJ-BJOHPYRUSA-N 1 0 245.775 2.244 10 0 BEAERO CCc1ccc(CSC[C@@H]2CC[NH2+]2)o1 ZINC000757162811 582545624 /nfs/dbraw/zinc/54/56/24/582545624.db2.gz BGEUQNNAPLVKCG-VIFPVBQESA-N 1 0 211.330 2.437 10 0 BEAERO [NH3+]C[C@H]1CC(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000757176081 582552457 /nfs/dbraw/zinc/55/24/57/582552457.db2.gz YDYUKFRXEXLWRD-RXMQYKEDSA-N 1 0 245.109 2.378 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248550165 535514221 /nfs/dbraw/zinc/51/42/21/535514221.db2.gz KGMBXMIFARLQQX-MNOVXSKESA-N 1 0 222.336 2.378 10 0 BEAERO C[C@H](NCc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000400764472 533934677 /nfs/dbraw/zinc/93/46/77/533934677.db2.gz YYLMASQBKLDUNB-QWRGUYRKSA-N 1 0 238.762 2.428 10 0 BEAERO CC[C@@H](C)[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000180505176 535605841 /nfs/dbraw/zinc/60/58/41/535605841.db2.gz QXDDKRQRSFDCLS-MNOVXSKESA-N 1 0 236.363 2.104 10 0 BEAERO COc1cc(F)ccc1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400479772 534027059 /nfs/dbraw/zinc/02/70/59/534027059.db2.gz FFRPUVGEKAXSSM-UWVGGRQHSA-N 1 0 238.306 2.244 10 0 BEAERO CC(C)(C)COc1cccc(CNCC[NH3+])c1 ZINC000072226467 518671210 /nfs/dbraw/zinc/67/12/10/518671210.db2.gz LYMGJMNSYOFZSG-UHFFFAOYSA-N 1 0 236.359 2.160 10 0 BEAERO CCOC(=O)[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000057354204 521112137 /nfs/dbraw/zinc/11/21/37/521112137.db2.gz ZDCJLUBIOKXQPU-LLVKDONJSA-N 1 0 213.321 2.060 10 0 BEAERO C[NH2+]Cc1cn(C(C)(C)C)nc1C(F)(F)F ZINC000057354244 522142184 /nfs/dbraw/zinc/14/21/84/522142184.db2.gz MBDYSULNEZMPQA-UHFFFAOYSA-N 1 0 235.253 2.376 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]([NH3+])[C@H]1C ZINC000238854307 525013253 /nfs/dbraw/zinc/01/32/53/525013253.db2.gz NMWRIHNNQCIKCJ-MBNYWOFBSA-N 1 0 218.344 2.102 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2ccccc2)[C@H]1C ZINC000238854459 525417971 /nfs/dbraw/zinc/41/79/71/525417971.db2.gz NVIRYIHNKWLTFW-DYEKYZERSA-N 1 0 218.344 2.244 10 0 BEAERO C[NH2+]Cc1cccnc1N1CCC[C@@H](C)C1 ZINC000051399866 536470651 /nfs/dbraw/zinc/47/06/51/536470651.db2.gz XZEMGCSVYLAIRM-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO COC(C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1)OC ZINC000248714416 536508219 /nfs/dbraw/zinc/50/82/19/536508219.db2.gz KDYBFBBPBPFDDT-SMDDNHRTSA-N 1 0 235.327 2.298 10 0 BEAERO CC(C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000179051312 527734824 /nfs/dbraw/zinc/73/48/24/527734824.db2.gz JUEHVAMENHZUMY-SNVBAGLBSA-N 1 0 230.352 2.288 10 0 BEAERO CCOc1ccccc1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400708114 528747098 /nfs/dbraw/zinc/74/70/98/528747098.db2.gz DCIBLZOIJADNFR-VXGBXAGGSA-N 1 0 234.343 2.495 10 0 BEAERO CCCCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248587538 534978101 /nfs/dbraw/zinc/97/81/01/534978101.db2.gz GLQJLXUXIRSFMA-RWMBFGLXSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000214949356 535057768 /nfs/dbraw/zinc/05/77/68/535057768.db2.gz FCZRQKWTNYPHEB-UPJWGTAASA-N 1 0 240.391 2.301 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253097204 535168884 /nfs/dbraw/zinc/16/88/84/535168884.db2.gz RJVSQZSTHPIMCO-UPJWGTAASA-N 1 0 211.349 2.410 10 0 BEAERO CC(C)(O)C(C)(C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000227343233 535273407 /nfs/dbraw/zinc/27/34/07/535273407.db2.gz YVHFJFYXPHHFSZ-LBPRGKRZSA-N 1 0 249.354 2.129 10 0 BEAERO CC(C)c1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])ncn1 ZINC000070178409 535369549 /nfs/dbraw/zinc/36/95/49/535369549.db2.gz KYJGOJFKLOYINF-DGCLKSJQSA-N 1 0 248.374 2.164 10 0 BEAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000216362484 535406231 /nfs/dbraw/zinc/40/62/31/535406231.db2.gz SGVLKLBBMFYEEK-GRYCIOLGSA-N 1 0 240.391 2.315 10 0 BEAERO CCC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000219332782 535408380 /nfs/dbraw/zinc/40/83/80/535408380.db2.gz FVPCTJPPLWCRAK-YNEHKIRRSA-N 1 0 238.375 2.295 10 0 BEAERO CC[NH2+]C1CCN(c2ccccc2F)CC1 ZINC000037241492 535453167 /nfs/dbraw/zinc/45/31/67/535453167.db2.gz PLYYDUKOMYNCIJ-UHFFFAOYSA-N 1 0 222.307 2.404 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1nccn1C ZINC000252731177 535495232 /nfs/dbraw/zinc/49/52/32/535495232.db2.gz OPRGMZKLLJWBID-GMTAPVOTSA-N 1 0 207.321 2.259 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000084149313 535538341 /nfs/dbraw/zinc/53/83/41/535538341.db2.gz SLNLQXBIGNMYKE-LLVKDONJSA-N 1 0 239.388 2.025 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)CC ZINC000177039662 535584861 /nfs/dbraw/zinc/58/48/61/535584861.db2.gz HIDHTVQONFGYNW-LBPRGKRZSA-N 1 0 240.391 2.365 10 0 BEAERO CC[N@H+](CCC(=O)OC)C[C@@H]1Cc2ccccc21 ZINC000090981396 535710562 /nfs/dbraw/zinc/71/05/62/535710562.db2.gz ZGRATNJRSUZOKN-ZDUSSCGKSA-N 1 0 247.338 2.211 10 0 BEAERO CCN(C)C(=O)C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000217400423 535726724 /nfs/dbraw/zinc/72/67/24/535726724.db2.gz MOAWYHBPDBVECA-WCQYABFASA-N 1 0 238.375 2.047 10 0 BEAERO CC[C@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164493306 535840237 /nfs/dbraw/zinc/84/02/37/535840237.db2.gz QCPSOWWFXIGLOT-RISCZKNCSA-N 1 0 246.354 2.109 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000335710242 535844422 /nfs/dbraw/zinc/84/44/22/535844422.db2.gz QGUIAIZXRMTCBU-UONOGXRCSA-N 1 0 241.375 2.040 10 0 BEAERO CC[C@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000171508575 536062715 /nfs/dbraw/zinc/06/27/15/536062715.db2.gz UXLZFGKFJXJLNT-CHWSQXEVSA-N 1 0 240.391 2.221 10 0 BEAERO CC[C@H]1CC[C@@H]([NH2+]CCn2cc(C)cn2)C1 ZINC000164526168 536094453 /nfs/dbraw/zinc/09/44/53/536094453.db2.gz KZRCRKJPPVFBOK-QWHCGFSZSA-N 1 0 221.348 2.360 10 0 BEAERO CC[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000083059676 536160749 /nfs/dbraw/zinc/16/07/49/536160749.db2.gz LWEBYJXFRHGCSS-NSHDSACASA-N 1 0 208.280 2.014 10 0 BEAERO CCc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227567145 536178811 /nfs/dbraw/zinc/17/88/11/536178811.db2.gz RCENKOLWYYDDFL-HNNXBMFYSA-N 1 0 233.355 2.453 10 0 BEAERO CN(CC1CCCCC1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368959 536183331 /nfs/dbraw/zinc/18/33/31/536183331.db2.gz QFCYHWHFQJCKNG-STQMWFEESA-N 1 0 238.375 2.153 10 0 BEAERO CCc1ccc(N2CC[NH2+][C@@H](CC)C2)cc1 ZINC000016944840 536184903 /nfs/dbraw/zinc/18/49/03/536184903.db2.gz WSSKCVXUXWRAFP-ZDUSSCGKSA-N 1 0 218.344 2.437 10 0 BEAERO CCc1ccc(N2CC[NH2+][C@@H](C)C2)cc1 ZINC000016944713 536184964 /nfs/dbraw/zinc/18/49/64/536184964.db2.gz VLSBBWDTQXQXNQ-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO CCc1ccc(N2CC[NH2+][C@H](CC)C2)cc1 ZINC000016944836 536184982 /nfs/dbraw/zinc/18/49/82/536184982.db2.gz WSSKCVXUXWRAFP-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO C[C@@H](Cn1cc[nH+]c1N)CC(F)(F)F ZINC000702623204 582926713 /nfs/dbraw/zinc/92/67/13/582926713.db2.gz QTQDEJKVPYAOJT-ZCFIWIBFSA-N 1 0 207.199 2.054 10 0 BEAERO C[NH2+][C@@H](C)Cc1noc(/C=C2/CC[C@@H](C)C2)n1 ZINC000261804196 536347771 /nfs/dbraw/zinc/34/77/71/536347771.db2.gz PJDSYLMHWSPZTA-ITYVAHBBSA-N 1 0 235.331 2.423 10 0 BEAERO C[NH2+][C@@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533117 536375673 /nfs/dbraw/zinc/37/56/73/536375673.db2.gz XLVTXGHAYRSXDD-GHMZBOCLSA-N 1 0 232.318 2.106 10 0 BEAERO C[NH2+][C@H](C)CN1C[C@@H](C)Cc2ccccc21 ZINC000071125197 536389153 /nfs/dbraw/zinc/38/91/53/536389153.db2.gz AWOJERKNOOGETL-NWDGAFQWSA-N 1 0 218.344 2.293 10 0 BEAERO CN1CC[N@H+](C[C@@H]2CCCC2(F)F)C(C)(C)C1 ZINC000336197555 536413438 /nfs/dbraw/zinc/41/34/38/536413438.db2.gz USMQKZLHCBMPRQ-NSHDSACASA-N 1 0 246.345 2.448 10 0 BEAERO C[NH2+][C@H]1CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533119 536418190 /nfs/dbraw/zinc/41/81/90/536418190.db2.gz XLVTXGHAYRSXDD-QWRGUYRKSA-N 1 0 232.318 2.106 10 0 BEAERO COC1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCC1 ZINC000336187008 536629735 /nfs/dbraw/zinc/62/97/35/536629735.db2.gz KQLRZAYCBRPOBX-STQMWFEESA-N 1 0 239.359 2.199 10 0 BEAERO COC1CC([NH2+][C@@H](CN(C)C)c2ccccc2)C1 ZINC000220830485 536721555 /nfs/dbraw/zinc/72/15/55/536721555.db2.gz KPNDPOCINOLHIP-NRXISQOPSA-N 1 0 248.370 2.056 10 0 BEAERO COC(=O)[C@H]1CCCCC[N@@H+]1C1CCCC1 ZINC000259565817 536766306 /nfs/dbraw/zinc/76/63/06/536766306.db2.gz ABOVDRCRODFQAV-GFCCVEGCSA-N 1 0 225.332 2.347 10 0 BEAERO [NH3+]C[C@H]1CCCc2ccccc2N1C(=O)C1CC1 ZINC000725262947 538089272 /nfs/dbraw/zinc/08/92/72/538089272.db2.gz VOBVXPPMVZZIOW-CYBMUJFWSA-N 1 0 244.338 2.093 10 0 BEAERO C[C@H](O)C[N@H+](C)Cc1ccnc2ccccc12 ZINC000092364537 566314735 /nfs/dbraw/zinc/31/47/35/566314735.db2.gz UNAOBNDYVIWPBQ-NSHDSACASA-N 1 0 230.311 2.047 10 0 BEAERO c1nn(C2CCC2)cc1C[NH2+]C1CCC1 ZINC000675052853 566412438 /nfs/dbraw/zinc/41/24/38/566412438.db2.gz BCTGQNNRLKGFIK-UHFFFAOYSA-N 1 0 205.305 2.250 10 0 BEAERO C[C@@H]1C[C@H](C)Cc2nc(CC[NH3+])sc21 ZINC000082830173 566419854 /nfs/dbraw/zinc/41/98/54/566419854.db2.gz VICCQSCFIXJJNI-JGVFFNPUSA-N 1 0 210.346 2.330 10 0 BEAERO C[C@@H]1CNCC[N@H+]1[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000669380727 566425558 /nfs/dbraw/zinc/42/55/58/566425558.db2.gz URIFDEVSMMMUHA-UPJWGTAASA-N 1 0 224.392 2.495 10 0 BEAERO CC(C)C1CC([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC000232539833 566458690 /nfs/dbraw/zinc/45/86/90/566458690.db2.gz YEWOOMWQOCWLDG-PYNQCMFNSA-N 1 0 211.349 2.314 10 0 BEAERO C/C=C(\C)C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000000002169 560126670 /nfs/dbraw/zinc/12/66/70/560126670.db2.gz UVHGSMZRSVGWDJ-ZCFDAEMWSA-N 1 0 223.316 2.121 10 0 endogenous,in-man BEAERO OC1(C[NH2+]CCOC2CCCC2)CCCCC1 ZINC000111637598 588764749 /nfs/dbraw/zinc/76/47/49/588764749.db2.gz PTNVFLAFSGXDNY-UHFFFAOYSA-N 1 0 241.375 2.230 10 0 BEAERO FC(F)(F)[C@H]1C[NH2+]Cc2ccccc21 ZINC000214274312 582457930 /nfs/dbraw/zinc/45/79/30/582457930.db2.gz MYLHWAPUKOBFOT-VIFPVBQESA-N 1 0 201.191 2.436 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@@H]2CCC[C@H]2C)n1 ZINC000300215268 582497441 /nfs/dbraw/zinc/49/74/41/582497441.db2.gz VJWYBHFFHDHSCJ-IWSPIJDZSA-N 1 0 209.293 2.035 10 0 BEAERO FC(F)(F)CN1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757132569 582507610 /nfs/dbraw/zinc/50/76/10/582507610.db2.gz RLPDQCLWOFYAQC-LLVKDONJSA-N 1 0 248.292 2.109 10 0 BEAERO C[NH2+]Cc1sc([C@@H](O)CC(C)C)nc1C ZINC000757132855 582508472 /nfs/dbraw/zinc/50/84/72/582508472.db2.gz USKDXTVITCMLGN-VIFPVBQESA-N 1 0 228.361 2.250 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757139184 582519670 /nfs/dbraw/zinc/51/96/70/582519670.db2.gz FRRTVLDELLINNE-UWVGGRQHSA-N 1 0 231.286 2.190 10 0 BEAERO CC(C)[C@H]1[NH2+][C@]2(CCCOC2)OCC1(C)C ZINC000757140809 582520723 /nfs/dbraw/zinc/52/07/23/582520723.db2.gz CARVZMJNGDFECI-DGCLKSJQSA-N 1 0 227.348 2.164 10 0 BEAERO [NH3+][C@H](c1ccc(O)c2ccncc21)C1CC1 ZINC000757141620 582522291 /nfs/dbraw/zinc/52/22/91/582522291.db2.gz AQASESPRXXYUAT-ZDUSSCGKSA-N 1 0 214.268 2.350 10 0 BEAERO CC(C)[C@H]1O[C@@]2(CCSC2)[NH2+]CC1(C)C ZINC000757143176 582523394 /nfs/dbraw/zinc/52/33/94/582523394.db2.gz MEMDGRCPBUHCCL-ZYHUDNBSSA-N 1 0 229.389 2.490 10 0 BEAERO c1ccc(C[C@@H]2CCOC3(CCOCC3)[NH2+]2)cc1 ZINC000757143869 582524450 /nfs/dbraw/zinc/52/44/50/582524450.db2.gz FMGCYOASXYHLLC-AWEZNQCLSA-N 1 0 247.338 2.114 10 0 BEAERO CC1(C)CCC[C@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757144767 582525319 /nfs/dbraw/zinc/52/53/19/582525319.db2.gz GPXAMKQXTYZUKW-AWEZNQCLSA-N 1 0 239.359 2.452 10 0 BEAERO CC(C)[C@H]1[NH2+][C@@]2(CCSC2)OCC1(C)C ZINC000757144796 582525529 /nfs/dbraw/zinc/52/55/29/582525529.db2.gz HISMWOVUOUALRJ-PWSUYJOCSA-N 1 0 229.389 2.490 10 0 BEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NCCC(C)(C)O2 ZINC000757145726 582528541 /nfs/dbraw/zinc/52/85/41/582528541.db2.gz ILGXQAPUNDGYDX-UHFFFAOYSA-N 1 0 240.391 2.412 10 0 BEAERO CC1(C)CNC2(C[C@H]3CC[C@@H](C2)[NH2+]3)OC1(C)C ZINC000757146335 582529916 /nfs/dbraw/zinc/52/99/16/582529916.db2.gz QYLYBEBAWYUGLH-BVUQATHDSA-N 1 0 238.375 2.022 10 0 BEAERO CC[C@@]1(C)CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757151884 582536278 /nfs/dbraw/zinc/53/62/78/582536278.db2.gz RSXCBPCYWROXST-RYUDHWBXSA-N 1 0 213.321 2.062 10 0 BEAERO CC[C@]1(C)CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757151862 582536301 /nfs/dbraw/zinc/53/63/01/582536301.db2.gz RSXCBPCYWROXST-NEPJUHHUSA-N 1 0 213.321 2.062 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+][C@@]2(CCCSC2)OC1 ZINC000757152402 582536865 /nfs/dbraw/zinc/53/68/65/582536865.db2.gz RZXWORYEFQFPGW-PWSUYJOCSA-N 1 0 229.389 2.492 10 0 BEAERO CC(C)[C@H]1CCC[C@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757152587 582537672 /nfs/dbraw/zinc/53/76/72/582537672.db2.gz UTYAVWVNLTYSSW-JSGCOSHPSA-N 1 0 239.359 2.308 10 0 BEAERO CC(C)[C@@H]1[NH2+]C2(CC[NH+](C)CC2)OCC1(C)C ZINC000757153258 582538331 /nfs/dbraw/zinc/53/83/31/582538331.db2.gz ULRFHSUIRGELSL-LBPRGKRZSA-N 1 0 240.391 2.079 10 0 BEAERO Cc1cc(CC(=O)C(C)(C)[NH3+])ccc1Cl ZINC000757155933 582539547 /nfs/dbraw/zinc/53/95/47/582539547.db2.gz FPNWFAOKOZSGAU-UHFFFAOYSA-N 1 0 225.719 2.497 10 0 BEAERO Cc1cc(C[C@](C)(O)[C@H](C)[NH3+])ccc1Cl ZINC000757159716 582540998 /nfs/dbraw/zinc/54/09/98/582540998.db2.gz QARBWKLKLHYDDK-CABZTGNLSA-N 1 0 227.735 2.289 10 0 BEAERO CC[NH2+][C@@H](CO)CSCc1ccc(Cl)o1 ZINC000757165501 582546570 /nfs/dbraw/zinc/54/65/70/582546570.db2.gz LQTPJNLIXXQIIS-QMMMGPOBSA-N 1 0 249.763 2.137 10 0 BEAERO CCc1ccc(CSC[C@H]([NH3+])COC)o1 ZINC000757167815 582548465 /nfs/dbraw/zinc/54/84/65/582548465.db2.gz XYDMVPGBCHIGHX-SECBINFHSA-N 1 0 229.345 2.049 10 0 BEAERO CCc1ccc(CS[C@@H](C[NH3+])COC)o1 ZINC000757167592 582548972 /nfs/dbraw/zinc/54/89/72/582548972.db2.gz XNFOEBSUXGUTNV-NSHDSACASA-N 1 0 229.345 2.049 10 0 BEAERO CC[C@H]([NH3+])[C@@H](CO)SCc1ccc(Cl)o1 ZINC000757172002 582551411 /nfs/dbraw/zinc/55/14/11/582551411.db2.gz WRMBZMMRRZSIDQ-DTWKUNHWSA-N 1 0 249.763 2.264 10 0 BEAERO [NH3+]C[C@H]1CC(=O)Nc2cc(Cl)cc(Cl)c21 ZINC000757175379 582551679 /nfs/dbraw/zinc/55/16/79/582551679.db2.gz GMBVNTBHLCAYBD-RXMQYKEDSA-N 1 0 245.109 2.378 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757218015 582562609 /nfs/dbraw/zinc/56/26/09/582562609.db2.gz UQJVWJSRKFMKCX-GWCFXTLKSA-N 1 0 203.285 2.212 10 0 BEAERO CC(=O)c1cccc([C@@H]2CC[C@@H]([NH3+])[C@@H](C)N2)c1 ZINC000757218553 582562646 /nfs/dbraw/zinc/56/26/46/582562646.db2.gz WFASCCHLKQNSFA-FZQKWOKYSA-N 1 0 232.327 2.030 10 0 BEAERO CCc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000400487398 582579168 /nfs/dbraw/zinc/57/91/68/582579168.db2.gz ZSYDVOCIQPKLNN-LBPRGKRZSA-N 1 0 233.340 2.269 10 0 BEAERO c1nc2c([nH]1)[C@@H](CC1CCCC1)[NH2+]CC2 ZINC000400498137 582579462 /nfs/dbraw/zinc/57/94/62/582579462.db2.gz MHYLSXSODRZYLN-LLVKDONJSA-N 1 0 205.305 2.177 10 0 BEAERO C[C@H](C[NH3+])c1noc(CCC(C)(C)C)n1 ZINC000300770473 582580390 /nfs/dbraw/zinc/58/03/90/582580390.db2.gz GCCIHRAHDINMEU-MRVPVSSYSA-N 1 0 211.309 2.111 10 0 BEAERO C[C@H]1C[C@@H](C(F)(F)F)Nc2[nH+]ccn21 ZINC000235574072 582594886 /nfs/dbraw/zinc/59/48/86/582594886.db2.gz SJMNUMNAEJSRIU-WDSKDSINSA-N 1 0 205.183 2.191 10 0 BEAERO Cc1ccc([C@@H]2CNc3[nH+]ccn3C2)cc1 ZINC000236000750 582635570 /nfs/dbraw/zinc/63/55/70/582635570.db2.gz ROHIRXOICOKSIQ-GFCCVEGCSA-N 1 0 213.284 2.401 10 0 BEAERO Fc1cccc([C@@H]2CCNc3[nH+]ccn32)c1 ZINC000236224327 582641533 /nfs/dbraw/zinc/64/15/33/582641533.db2.gz IZCHKOVMARBJEL-NSHDSACASA-N 1 0 217.247 2.427 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000229805811 582673462 /nfs/dbraw/zinc/67/34/62/582673462.db2.gz RDUUOJQXUZQLPW-QWHCGFSZSA-N 1 0 241.281 2.358 10 0 BEAERO Fc1ncc(Cl)cc1C1=CC[NH2+]CC1 ZINC000725241468 582731868 /nfs/dbraw/zinc/73/18/68/582731868.db2.gz RVEBTLHFUIKCHF-UHFFFAOYSA-N 1 0 212.655 2.251 10 0 BEAERO CC(C)c1ccc(C[NH2+][C@@H](C(N)=O)C(C)C)cc1 ZINC000107323157 582805520 /nfs/dbraw/zinc/80/55/20/582805520.db2.gz DWPQGYLNKJQPTB-CQSZACIVSA-N 1 0 248.370 2.410 10 0 BEAERO Clc1ccc(-c2cnnn2[C@@H]2CC[NH2+]C2)cc1 ZINC000259200910 582809046 /nfs/dbraw/zinc/80/90/46/582809046.db2.gz FOSAJZBKLNDVBF-LLVKDONJSA-N 1 0 248.717 2.133 10 0 BEAERO Fc1cccc2c1CC[C@H]2[NH2+]Cc1cnc[nH]1 ZINC000112344068 582819895 /nfs/dbraw/zinc/81/98/95/582819895.db2.gz KLMCPNBXXPXODL-CYBMUJFWSA-N 1 0 231.274 2.326 10 0 BEAERO C[C@H](C(=O)C(F)(F)F)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000702912348 582930046 /nfs/dbraw/zinc/93/00/46/582930046.db2.gz GLMNRPRXFCEHIJ-GJMOJQLCSA-N 1 0 223.238 2.142 10 0 BEAERO O=C1[C@@H]([C@H]2CCCCC[NH2+]2)CCC12CC2 ZINC000706578612 582960411 /nfs/dbraw/zinc/96/04/11/582960411.db2.gz DFHXGQPZKSGXIO-GHMZBOCLSA-N 1 0 207.317 2.278 10 0 BEAERO C[C@@H]1CCC[C@H]([C@H]2CCC3(CC3)C2=O)[NH2+]1 ZINC000706579038 582960716 /nfs/dbraw/zinc/96/07/16/582960716.db2.gz LAMYXRACLABJJT-GMTAPVOTSA-N 1 0 207.317 2.276 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCN[C@H]2C)C1 ZINC000396662730 583087998 /nfs/dbraw/zinc/08/79/98/583087998.db2.gz HJADJLLIWJBNFI-RNJOBUHISA-N 1 0 210.365 2.105 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@@H]1CCCOC1 ZINC000397164750 583098587 /nfs/dbraw/zinc/09/85/87/583098587.db2.gz ZKRPAIFBXNTOKX-BXKDBHETSA-N 1 0 223.341 2.362 10 0 BEAERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)[NH3+] ZINC000122152709 583583883 /nfs/dbraw/zinc/58/38/83/583583883.db2.gz FBQSKIHZNQGCQA-GRYCIOLGSA-N 1 0 226.364 2.055 10 0 BEAERO CC1(C)C[C@H](O)C[N@H+](Cc2ccccc2)C1 ZINC000207016245 583906274 /nfs/dbraw/zinc/90/62/74/583906274.db2.gz DUNIIRIBHHYBEO-ZDUSSCGKSA-N 1 0 219.328 2.279 10 0 BEAERO [NH3+]Cc1ccc2c(Br)c[nH]c2c1 ZINC000212140216 585037805 /nfs/dbraw/zinc/03/78/05/585037805.db2.gz QVEWQASJSOAGME-UHFFFAOYSA-N 1 0 225.089 2.389 10 0 BEAERO C[NH2+]CCC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757160367 585329439 /nfs/dbraw/zinc/32/94/39/585329439.db2.gz QRQCLVVENAQMNP-UHFFFAOYSA-N 1 0 225.719 2.370 10 0 BEAERO COc1ccc([C@H]2CCOC(C)(C)[NH2+]2)cc1 ZINC000757140208 586427370 /nfs/dbraw/zinc/42/73/70/586427370.db2.gz KXFSGSIPFUMCQO-GFCCVEGCSA-N 1 0 221.300 2.482 10 0 BEAERO CCC[C@@H]1CCO[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757143410 586428315 /nfs/dbraw/zinc/42/83/15/586428315.db2.gz MRDFRUUWHKANDM-ZYHUDNBSSA-N 1 0 213.321 2.060 10 0 BEAERO CC1(C)CC[C@@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757143420 586428435 /nfs/dbraw/zinc/42/84/35/586428435.db2.gz MTMNAWVQDSRABA-CQSZACIVSA-N 1 0 239.359 2.309 10 0 BEAERO C1CC[C@@H]2[NH2+]C3(CCSCC3)OC[C@H]2C1 ZINC000757146808 586428789 /nfs/dbraw/zinc/42/87/89/586428789.db2.gz RLWOXQLOSWVSIO-MNOVXSKESA-N 1 0 227.373 2.388 10 0 BEAERO C1CC[C@H]2[NH2+]C3(CCSCC3)OC[C@@H]2C1 ZINC000757146855 586428987 /nfs/dbraw/zinc/42/89/87/586428987.db2.gz RLWOXQLOSWVSIO-WDEREUQCSA-N 1 0 227.373 2.388 10 0 BEAERO C[C@@H](CN1CC[C@H]1C[NH3+])C1CCCCC1 ZINC000757146431 586429038 /nfs/dbraw/zinc/42/90/38/586429038.db2.gz QMVSFERFCUOUOF-AAEUAGOBSA-N 1 0 210.365 2.236 10 0 BEAERO Cc1cc(CC(=O)[C@@H](C)C[NH3+])ccc1Cl ZINC000757156495 586430075 /nfs/dbraw/zinc/43/00/75/586430075.db2.gz IXQSMUZPMKUDKP-VIFPVBQESA-N 1 0 225.719 2.355 10 0 BEAERO C[C@@H]1CC(C)(C)O[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757154247 586430241 /nfs/dbraw/zinc/43/02/41/586430241.db2.gz ZQIVZGSPZXDTCQ-BXKDBHETSA-N 1 0 213.321 2.059 10 0 BEAERO C[NH2+][C@@](C)(CO)CSCc1ccc(Cl)o1 ZINC000757162307 586432756 /nfs/dbraw/zinc/43/27/56/586432756.db2.gz CTDOPKZQVUTBNY-JTQLQIEISA-N 1 0 249.763 2.137 10 0 BEAERO [NH3+]C[C@@H]1CC(=O)Nc2cc(Cl)cc(Cl)c21 ZINC000757175381 586433175 /nfs/dbraw/zinc/43/31/75/586433175.db2.gz GMBVNTBHLCAYBD-YFKPBYRVSA-N 1 0 245.109 2.378 10 0 BEAERO [NH3+]C[C@H]1CC(=O)Nc2c1cccc2C(F)(F)F ZINC000757176033 586433555 /nfs/dbraw/zinc/43/35/55/586433555.db2.gz VTYPGGCMAQRBIA-ZCFIWIBFSA-N 1 0 244.216 2.090 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1C1CCCC1 ZINC000757188023 586434997 /nfs/dbraw/zinc/43/49/97/586434997.db2.gz JEJIFVIFZWVRIY-VXGBXAGGSA-N 1 0 239.359 2.354 10 0 BEAERO Cc1nn(C)c2sc(C3CC[NH2+]CC3)cc12 ZINC000757209050 586437687 /nfs/dbraw/zinc/43/76/87/586437687.db2.gz DBKPVFAGWUQQMM-UHFFFAOYSA-N 1 0 235.356 2.410 10 0 BEAERO CCCC[C@@H]1[NH2+]CCC[C@@H]1C(=O)OCC ZINC000757208633 586437741 /nfs/dbraw/zinc/43/77/41/586437741.db2.gz AFNDPLHARKADIR-QWRGUYRKSA-N 1 0 213.321 2.108 10 0 BEAERO Cc1cncc(SCC[NH2+]C(C)C)c1 ZINC000757207880 586437798 /nfs/dbraw/zinc/43/77/98/586437798.db2.gz COGIFJKFJZNOEW-UHFFFAOYSA-N 1 0 210.346 2.480 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1c1cccc(C=O)c1 ZINC000757212379 586439573 /nfs/dbraw/zinc/43/95/73/586439573.db2.gz INERYQASUJCTTE-ZWNOBZJWSA-N 1 0 203.285 2.355 10 0 BEAERO CC(=O)c1ccc([C@@H]2N[C@H](C)CC[C@@H]2[NH3+])cc1 ZINC000757215930 586440513 /nfs/dbraw/zinc/44/05/13/586440513.db2.gz OCKHJBZSFFHYBN-IIMNLJJBSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN[C@@H]1c1cccc2cc[nH]c21 ZINC000757218277 586441673 /nfs/dbraw/zinc/44/16/73/586441673.db2.gz UVPNDTQWTUYJTK-CDMKHQONSA-N 1 0 229.327 2.166 10 0 BEAERO C[C@H]1C[C@]2(CC(=O)O[C@@H]2C[NH3+])CC(C)(C)C1 ZINC000757224703 586442672 /nfs/dbraw/zinc/44/26/72/586442672.db2.gz QTUNWBCWKGQAHE-BREBYQMCSA-N 1 0 225.332 2.093 10 0 BEAERO C[C@H]1C[C@@]2(CC(=O)O[C@H]2C[NH3+])CC(C)(C)C1 ZINC000757224705 586442677 /nfs/dbraw/zinc/44/26/77/586442677.db2.gz QTUNWBCWKGQAHE-GBIKHYSHSA-N 1 0 225.332 2.093 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000757232491 586443024 /nfs/dbraw/zinc/44/30/24/586443024.db2.gz IIVYYLPAIACXGM-ONGXEEELSA-N 1 0 204.317 2.290 10 0 BEAERO [NH3+][C@H]1CCCN[C@@H]1c1cscc1C(F)F ZINC000757230005 586443145 /nfs/dbraw/zinc/44/31/45/586443145.db2.gz FTFHRDYORXMPER-DTWKUNHWSA-N 1 0 232.299 2.438 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1C[NH2+]CC[C@H]1C ZINC000757234493 586443407 /nfs/dbraw/zinc/44/34/07/586443407.db2.gz KMTFMSZPQZBRBK-ZWNOBZJWSA-N 1 0 204.317 2.290 10 0 BEAERO Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@H](C)C1 ZINC000757232480 586443458 /nfs/dbraw/zinc/44/34/58/586443458.db2.gz IIVYYLPAIACXGM-MWLCHTKSSA-N 1 0 204.317 2.290 10 0 BEAERO [NH3+][C@H]1CC[C@H](c2cscc2C(F)F)NC1 ZINC000757238571 586444072 /nfs/dbraw/zinc/44/40/72/586444072.db2.gz STKGWHXSWJJGSY-IMTBSYHQSA-N 1 0 232.299 2.438 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](C2=CCOCC2)C1 ZINC000757569007 586462109 /nfs/dbraw/zinc/46/21/09/586462109.db2.gz UONJHUUJBBXYEH-ZDUSSCGKSA-N 1 0 209.333 2.454 10 0 BEAERO CC[C@]1([NH3+])CC=C(c2ccc(C(N)=O)cc2)CC1 ZINC000757572421 586462829 /nfs/dbraw/zinc/46/28/29/586462829.db2.gz QYPDKIHHZWNPPH-HNNXBMFYSA-N 1 0 244.338 2.460 10 0 BEAERO CC[C@@]1([NH3+])CC=C(c2ccc(C(N)=O)cc2)CC1 ZINC000757572423 586463134 /nfs/dbraw/zinc/46/31/34/586463134.db2.gz QYPDKIHHZWNPPH-OAHLLOKOSA-N 1 0 244.338 2.460 10 0 BEAERO C[C@@H]([NH3+])CCc1nc(Cc2ccccc2F)no1 ZINC000109516565 588564717 /nfs/dbraw/zinc/56/47/17/588564717.db2.gz XYNITVMVYLNBJG-SECBINFHSA-N 1 0 249.289 2.079 10 0 BEAERO CCC[N@H+](CCC(C)=O)C[C@H]1CCCCO1 ZINC000120864154 589472946 /nfs/dbraw/zinc/47/29/46/589472946.db2.gz JPBJHQPZQMEVCH-CYBMUJFWSA-N 1 0 227.348 2.247 10 0 BEAERO C[C@@H](CNC(=[NH2+])NC1CCCCC1)C1CC1 ZINC000122578880 589605340 /nfs/dbraw/zinc/60/53/40/589605340.db2.gz XGRCHYPFWBNKCW-JTQLQIEISA-N 1 0 223.364 2.479 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc(Cl)n1 ZINC000122915163 589643590 /nfs/dbraw/zinc/64/35/90/589643590.db2.gz OBIPGCYDAJWLPW-DTWKUNHWSA-N 1 0 225.723 2.274 10 0 BEAERO O[C@H](C[NH+]1CC2(C1)CCCCC2)C1CC1 ZINC000123413317 589702691 /nfs/dbraw/zinc/70/26/91/589702691.db2.gz FVMIJMVATBJXDN-GFCCVEGCSA-N 1 0 209.333 2.023 10 0 BEAERO OCC[N@H+](Cc1ccoc1)C1CCCC1 ZINC000124024188 589905589 /nfs/dbraw/zinc/90/55/89/589905589.db2.gz SGYFSLFNPBYZMQ-UHFFFAOYSA-N 1 0 209.289 2.017 10 0 BEAERO CC(C)CCCC[NH2+]CC(C)(C)S(C)(=O)=O ZINC000124757716 590080829 /nfs/dbraw/zinc/08/08/29/590080829.db2.gz GYQOMWDAUPXQBX-UHFFFAOYSA-N 1 0 249.420 2.226 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000020364213 590104867 /nfs/dbraw/zinc/10/48/67/590104867.db2.gz MMCKBFXELFGFLY-QWHCGFSZSA-N 1 0 248.370 2.122 10 0 BEAERO C[N@H+](C[C@@H]1CNCCO1)C1CCCCCCC1 ZINC000125460733 590165084 /nfs/dbraw/zinc/16/50/84/590165084.db2.gz QDECWVCJRPXTIM-AWEZNQCLSA-N 1 0 240.391 2.020 10 0 BEAERO C[C@H](O)c1ccc(N(C)C2CCC2)nc1 ZINC000127605710 590723394 /nfs/dbraw/zinc/72/33/94/590723394.db2.gz WEXJVQVMZHXIIB-VIFPVBQESA-N 1 0 206.289 2.124 10 0 BEAERO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128247387 590949839 /nfs/dbraw/zinc/94/98/39/590949839.db2.gz BBEPVTJNTYGMKM-CHWSQXEVSA-N 1 0 242.432 2.204 10 0 BEAERO CC(C)(C)[S@@](=O)CC[NH2+][C@H]1CCCSC1 ZINC000128277868 590955272 /nfs/dbraw/zinc/95/52/72/590955272.db2.gz DTHMQMNXMGXYCX-ZUZCIYMTSA-N 1 0 249.445 2.019 10 0 BEAERO C[C@]1(C[NH2+][C@@H]2CCCSC2)CCCC[C@H]1O ZINC000128315725 590978001 /nfs/dbraw/zinc/97/80/01/590978001.db2.gz NYOAGHZLBJZJBF-JHJVBQTASA-N 1 0 243.416 2.413 10 0 BEAERO Cc1cc(N2CC[C@@H](C(C)(C)C)C2)nc(N)[nH+]1 ZINC000128432619 591038425 /nfs/dbraw/zinc/03/84/25/591038425.db2.gz CXMPONXGXJULIC-SNVBAGLBSA-N 1 0 234.347 2.240 10 0 BEAERO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1cccs1 ZINC000129774305 591402640 /nfs/dbraw/zinc/40/26/40/591402640.db2.gz OWXWLJFWNJFZNW-PSASIEDQSA-N 1 0 238.356 2.053 10 0 BEAERO CCC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000213132705 591448895 /nfs/dbraw/zinc/44/88/95/591448895.db2.gz FVPCTJPPLWCRAK-RWMBFGLXSA-N 1 0 238.375 2.295 10 0 BEAERO Cc1cccc(N2C[C@]3(CCC[NH2+]C3)OC2=O)c1 ZINC000213442341 591474537 /nfs/dbraw/zinc/47/45/37/591474537.db2.gz QEZREHVIMXJBAO-CQSZACIVSA-N 1 0 246.310 2.074 10 0 BEAERO O[C@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000214665376 591701494 /nfs/dbraw/zinc/70/14/94/591701494.db2.gz YHPZSABRPMSIBK-UONOGXRCSA-N 1 0 235.302 2.174 10 0 BEAERO C[C@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCOC1 ZINC000132463950 591710395 /nfs/dbraw/zinc/71/03/95/591710395.db2.gz WDDZSJXQSYHSIP-JGVFFNPUSA-N 1 0 243.294 2.254 10 0 BEAERO Cc1cc(F)ccc1-c1noc(CC[C@H](C)[NH3+])n1 ZINC000132477288 591710961 /nfs/dbraw/zinc/71/09/61/591710961.db2.gz VULZIVXMKXWPNH-VIFPVBQESA-N 1 0 249.289 2.464 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@H](O)CC(C)C ZINC000132628852 591725851 /nfs/dbraw/zinc/72/58/51/591725851.db2.gz YCCAUDJXKLSZQO-VXGBXAGGSA-N 1 0 201.354 2.419 10 0 BEAERO CCCCCCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000133697919 591848627 /nfs/dbraw/zinc/84/86/27/591848627.db2.gz XCMPZLWUOHRRQN-NWDGAFQWSA-N 1 0 226.364 2.214 10 0 BEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[S@](C)=O ZINC000133805728 591860069 /nfs/dbraw/zinc/86/00/69/591860069.db2.gz PNFPAMITCKPMGK-SLEUVZQESA-N 1 0 231.405 2.169 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC[S@](C)=O)cc1C ZINC000133808271 591860834 /nfs/dbraw/zinc/86/08/34/591860834.db2.gz MXQOPGZIIRXDGE-MLGOLLRUSA-N 1 0 239.384 2.333 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC[S@](C)=O)c(C)c1 ZINC000133837991 591862551 /nfs/dbraw/zinc/86/25/51/591862551.db2.gz GLWDOPSPEUQHLO-BLLLJJGKSA-N 1 0 239.384 2.333 10 0 BEAERO CC[C@H](O)CCC[NH2+][C@H]1CCCSC1 ZINC000134812568 591952176 /nfs/dbraw/zinc/95/21/76/591952176.db2.gz NTAYVWHZHKMAHS-QWRGUYRKSA-N 1 0 217.378 2.023 10 0 BEAERO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCSC1 ZINC000134812616 591952431 /nfs/dbraw/zinc/95/24/31/591952431.db2.gz VBSDXBMCIBMSCX-WDEREUQCSA-N 1 0 231.405 2.269 10 0 BEAERO Clc1ccc2c(c1)C[C@H]([NH2+]Cc1cn[nH]c1)C2 ZINC000134848941 591952646 /nfs/dbraw/zinc/95/26/46/591952646.db2.gz KWCXBQRFPXOHQR-CYBMUJFWSA-N 1 0 247.729 2.320 10 0 BEAERO CSCCCCCC[NH2+]Cc1cncnc1 ZINC000134865943 591954372 /nfs/dbraw/zinc/95/43/72/591954372.db2.gz WZWKFWAKTAHVFW-UHFFFAOYSA-N 1 0 239.388 2.490 10 0 BEAERO CC[C@H](O)CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000135044998 591979150 /nfs/dbraw/zinc/97/91/50/591979150.db2.gz KTHPANNCHAHBCT-OLZOCXBDSA-N 1 0 241.375 2.229 10 0 BEAERO CC(C)(CO)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000135093971 591986234 /nfs/dbraw/zinc/98/62/34/591986234.db2.gz MDFDTWFXQMRJPF-GFCCVEGCSA-N 1 0 241.375 2.086 10 0 BEAERO CC[C@@]1(C)C[N@H+](CC2(O)CCCCC2)CCO1 ZINC000135605775 592025726 /nfs/dbraw/zinc/02/57/26/592025726.db2.gz APIRYSGZFPNVGJ-ZDUSSCGKSA-N 1 0 241.375 2.183 10 0 BEAERO CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000216365515 592026646 /nfs/dbraw/zinc/02/66/46/592026646.db2.gz LFMJHKLKXFKADK-ZOBORPQBSA-N 1 0 243.391 2.187 10 0 BEAERO CC[C@@H](CO)[NH2+]Cc1cncc2ccccc21 ZINC000135753020 592045376 /nfs/dbraw/zinc/04/53/76/592045376.db2.gz IZYOTASSSNITHG-ZDUSSCGKSA-N 1 0 230.311 2.095 10 0 BEAERO CC[C@](C)(CO)[NH2+]Cc1cncc2ccccc21 ZINC000135847298 592065013 /nfs/dbraw/zinc/06/50/13/592065013.db2.gz MWQYCJKDMGLYSA-OAHLLOKOSA-N 1 0 244.338 2.485 10 0 BEAERO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000217828270 592149489 /nfs/dbraw/zinc/14/94/89/592149489.db2.gz LZERGYSUKJRHIJ-DTWKUNHWSA-N 1 0 240.734 2.207 10 0 BEAERO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000219382970 592223655 /nfs/dbraw/zinc/22/36/55/592223655.db2.gz WCFRLWGNJFPOEI-HZSPNIEDSA-N 1 0 243.391 2.188 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)o1 ZINC000077205491 592319609 /nfs/dbraw/zinc/31/96/09/592319609.db2.gz PWGIVJIRZSBIJG-AAEUAGOBSA-N 1 0 223.316 2.229 10 0 BEAERO C[C@@H](C[NH2+]CCc1ccccc1)N(C)C1CC1 ZINC000221112122 592397231 /nfs/dbraw/zinc/39/72/31/592397231.db2.gz PQXOIJULORHCMB-ZDUSSCGKSA-N 1 0 232.371 2.301 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000300332759 592506606 /nfs/dbraw/zinc/50/66/06/592506606.db2.gz RASMHTDVYNCSRK-XHNCKOQMSA-N 1 0 221.304 2.178 10 0 BEAERO Cc1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)s1 ZINC000258012279 634542190 /nfs/dbraw/zinc/54/21/90/634542190.db2.gz MUMRAZJPZSODQT-QMMMGPOBSA-N 1 0 235.312 2.183 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)Cc1ccco1 ZINC000219337636 635275542 /nfs/dbraw/zinc/27/55/42/635275542.db2.gz CDXNAUPLUBGDJA-CYZMBNFOSA-N 1 0 223.316 2.368 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@H](C)O ZINC000336778192 635288626 /nfs/dbraw/zinc/28/86/26/635288626.db2.gz KPJITQGXIPAXTN-VGMNWLOBSA-N 1 0 229.270 2.385 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000336754264 635289100 /nfs/dbraw/zinc/28/91/00/635289100.db2.gz IDGMSDVHPDJUBW-JGVFFNPUSA-N 1 0 231.698 2.338 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCC(CC)(CC)SC ZINC000225534869 635412873 /nfs/dbraw/zinc/41/28/73/635412873.db2.gz QAIPHYGRYLZBGX-SNVBAGLBSA-N 1 0 246.420 2.152 10 0 BEAERO C[N@H+](CC1CCC1)C1(CN)CCCCC1 ZINC000061455429 635454998 /nfs/dbraw/zinc/45/49/98/635454998.db2.gz BIFNJDQSSGDTHO-UHFFFAOYSA-N 1 0 210.365 2.380 10 0 BEAERO CC(C)[N@@H+]1CC[C@]2(C1)C[C@H](O)c1ccccc1O2 ZINC000229438680 635471928 /nfs/dbraw/zinc/47/19/28/635471928.db2.gz HQZIWKFLTRCJIE-DZGCQCFKSA-N 1 0 247.338 2.355 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc([C@@H]2CC2(C)C)no1 ZINC000232725534 635513966 /nfs/dbraw/zinc/51/39/66/635513966.db2.gz VSDFKQXZFFGNPB-DTWKUNHWSA-N 1 0 223.320 2.109 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178693143 635653588 /nfs/dbraw/zinc/65/35/88/635653588.db2.gz KMCMGSOEMXTDHI-OLZOCXBDSA-N 1 0 241.451 2.491 10 0 BEAERO CC(C)(C)SCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000308833603 631676325 /nfs/dbraw/zinc/67/63/25/631676325.db2.gz VGPOBVQTHXQKIQ-NSHDSACASA-N 1 0 231.405 2.222 10 0 BEAERO C[C@@H]([NH2+]Cc1nc(Cl)cs1)[C@@H]1CCCO1 ZINC000309087946 631875512 /nfs/dbraw/zinc/87/55/12/631875512.db2.gz ABZZGSMEQFEEGS-SFYZADRCSA-N 1 0 246.763 2.454 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000049948901 631918054 /nfs/dbraw/zinc/91/80/54/631918054.db2.gz DUQTUTBJAPTJAF-QWRGUYRKSA-N 1 0 211.330 2.405 10 0 BEAERO [NH2+]=C(NCCc1ccco1)NC1CCCCC1 ZINC000052047701 632056519 /nfs/dbraw/zinc/05/65/19/632056519.db2.gz AOHRAZOLPCYRAP-UHFFFAOYSA-N 1 0 235.331 2.269 10 0 BEAERO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC000251201688 635702824 /nfs/dbraw/zinc/70/28/24/635702824.db2.gz UOXBSSILYJWHRO-OCCSQVGLSA-N 1 0 247.338 2.236 10 0 BEAERO C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000252215200 635709145 /nfs/dbraw/zinc/70/91/45/635709145.db2.gz XLGZMUKWXKZXEM-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2cc(F)ccc2F)n1 ZINC000054158851 635776557 /nfs/dbraw/zinc/77/65/57/635776557.db2.gz GBEUEKNRYUBVRZ-LURJTMIESA-N 1 0 239.225 2.077 10 0 BEAERO OCc1c[nH+]ccc1N1CCc2sccc2C1 ZINC000126404734 635813107 /nfs/dbraw/zinc/81/31/07/635813107.db2.gz ZGDOTUGPBICSBB-UHFFFAOYSA-N 1 0 246.335 2.198 10 0 BEAERO CCC[C@H](N)c1nc(CC2CCC2)no1 ZINC000308927826 632472141 /nfs/dbraw/zinc/47/21/41/632472141.db2.gz BAVVBGFSJIMIBI-VIFPVBQESA-N 1 0 209.293 2.212 10 0 BEAERO CC[C@H](C)c1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000309538214 632477424 /nfs/dbraw/zinc/47/74/24/632477424.db2.gz FLTJEVAHJGMXLY-VHSXEESVSA-N 1 0 223.320 2.268 10 0 BEAERO Clc1cccc(COC2C[NH2+]C2)c1Cl ZINC000228824672 632504675 /nfs/dbraw/zinc/50/46/75/632504675.db2.gz JWFFABWTTKUCHQ-UHFFFAOYSA-N 1 0 232.110 2.482 10 0 BEAERO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1COc2ccccc21 ZINC000251244515 632544327 /nfs/dbraw/zinc/54/43/27/632544327.db2.gz SURSCSRVBNRQJR-BZPMIXESSA-N 1 0 246.354 2.240 10 0 BEAERO Cc1cccc(C[NH2+][C@H](C)[C@H](C)O)c1C ZINC000309043849 632624158 /nfs/dbraw/zinc/62/41/58/632624158.db2.gz MZQVJTRSKQLUTJ-NEPJUHHUSA-N 1 0 207.317 2.162 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309051067 632631450 /nfs/dbraw/zinc/63/14/50/632631450.db2.gz RDRRRVRGOCTETH-UKKRHICBSA-N 1 0 231.405 2.266 10 0 BEAERO C/C(=C/c1ccccc1)C[NH2+][C@H](C)[C@H](C)O ZINC000309890645 632679812 /nfs/dbraw/zinc/67/98/12/632679812.db2.gz CKKBIRDLRLMDCW-IHOFHSRRSA-N 1 0 219.328 2.449 10 0 BEAERO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC000309941507 632686066 /nfs/dbraw/zinc/68/60/66/632686066.db2.gz BUESIIWGWMIWLY-OUAUKWLOSA-N 1 0 224.304 2.201 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C/C=C\Cl ZINC000255830348 632742932 /nfs/dbraw/zinc/74/29/32/632742932.db2.gz OIFFEVFWAOCBHP-GJJFQZOLSA-N 1 0 228.767 2.298 10 0 BEAERO C[C@H]1CN(Cc2cncc3ccccc32)C[C@@H]1[NH3+] ZINC000235718586 632820539 /nfs/dbraw/zinc/82/05/39/632820539.db2.gz KUDYTMZWJFJCEJ-NHYWBVRUSA-N 1 0 241.338 2.014 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309237019 632831497 /nfs/dbraw/zinc/83/14/97/632831497.db2.gz XSQLUPFEGXHHFJ-MNOVXSKESA-N 1 0 208.280 2.499 10 0 BEAERO [NH3+]C[C@@H](Nc1cncc(Cl)n1)C1CCCC1 ZINC000236179088 632891924 /nfs/dbraw/zinc/89/19/24/632891924.db2.gz BCCNCGFKUPHZOZ-SECBINFHSA-N 1 0 240.738 2.059 10 0 BEAERO CC(C)[NH2+]C[C@H](O)c1cc2ccccc2o1 ZINC000162759760 633036820 /nfs/dbraw/zinc/03/68/20/633036820.db2.gz KFCLJYHNKAFLHZ-NSHDSACASA-N 1 0 219.284 2.464 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(C)cc(C)c1 ZINC000166604682 633119375 /nfs/dbraw/zinc/11/93/75/633119375.db2.gz NLDNTVLJENLXBT-UONOGXRCSA-N 1 0 247.338 2.170 10 0 BEAERO CCCc1ccc(C[NH2+][C@H](C)[C@H](C)O)cc1 ZINC000309663649 633220396 /nfs/dbraw/zinc/22/03/96/633220396.db2.gz SJHNUUICXQJGKH-NEPJUHHUSA-N 1 0 221.344 2.498 10 0 BEAERO C[C@@H](C[NH3+])c1noc(CSc2ccccc2)n1 ZINC000092234136 633235618 /nfs/dbraw/zinc/23/56/18/633235618.db2.gz CYZWLMINMRHSGG-VIFPVBQESA-N 1 0 249.339 2.424 10 0 BEAERO CC[N@@H+]1CC[C@H](Nc2nc(Cl)cs2)C1 ZINC000307386787 635987843 /nfs/dbraw/zinc/98/78/43/635987843.db2.gz LVXHIMNSLQSILU-ZETCQYMHSA-N 1 0 231.752 2.303 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000084192386 636075752 /nfs/dbraw/zinc/07/57/52/636075752.db2.gz DZEVUVZWOJQEBX-VIFPVBQESA-N 1 0 231.654 2.042 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309797115 633750749 /nfs/dbraw/zinc/75/07/49/633750749.db2.gz QKJXLRVLZRWNSO-UFGOTCBOSA-N 1 0 220.316 2.159 10 0 BEAERO COC1CC([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000328327593 633755719 /nfs/dbraw/zinc/75/57/19/633755719.db2.gz GZKMSKDJPKKLEM-UHFFFAOYSA-N 1 0 241.718 2.313 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CCC[C@@H](SC)C2)C1 ZINC000328385356 633760051 /nfs/dbraw/zinc/76/00/51/633760051.db2.gz WKXOLIJBLGORHK-RWMBFGLXSA-N 1 0 242.432 2.344 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309952318 633974124 /nfs/dbraw/zinc/97/41/24/633974124.db2.gz GSDZFDZNCZADGZ-DTWKUNHWSA-N 1 0 242.388 2.300 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)[C@H](C)O ZINC000309952626 633976888 /nfs/dbraw/zinc/97/68/88/633976888.db2.gz GVZFCTHEPQVLKX-VGMNWLOBSA-N 1 0 229.270 2.385 10 0 BEAERO COCC[C@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309646998 633980225 /nfs/dbraw/zinc/98/02/25/633980225.db2.gz MOSUFTAPDGAFGS-GXFFZTMASA-N 1 0 222.332 2.407 10 0 BEAERO Cc1cnn(CC[NH2+]C2[C@H](C)CC[C@H]2C)c1 ZINC000309767960 634003230 /nfs/dbraw/zinc/00/32/30/634003230.db2.gz JWBBOJKMZNCMSY-VXGBXAGGSA-N 1 0 221.348 2.216 10 0 BEAERO CC[C@@H](C)[C@H](O)C[NH2+]CCc1ccccc1 ZINC000309878758 634034935 /nfs/dbraw/zinc/03/49/35/634034935.db2.gz UNESGBLJUPJAEC-TZMCWYRMSA-N 1 0 221.344 2.226 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1cccc(F)n1 ZINC000162436962 634148575 /nfs/dbraw/zinc/14/85/75/634148575.db2.gz XWYPVSALEZMZHP-ZJUUUORDSA-N 1 0 223.295 2.150 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CCNCc1ccoc1 ZINC000053343442 634170784 /nfs/dbraw/zinc/17/07/84/634170784.db2.gz RMYKHLCCFPLDBI-LBPRGKRZSA-N 1 0 222.332 2.244 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cnc2ccccc2c1 ZINC000310967430 634191644 /nfs/dbraw/zinc/19/16/44/634191644.db2.gz VDMCRXYMDIUQBS-SMDDNHRTSA-N 1 0 241.338 2.156 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1c1nc2ccccc2[nH]1 ZINC000053706503 634327356 /nfs/dbraw/zinc/32/73/56/634327356.db2.gz LMWALUFJXAWEEN-LLVKDONJSA-N 1 0 244.342 2.141 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000336649001 635201652 /nfs/dbraw/zinc/20/16/52/635201652.db2.gz HHYSMMIHQPYQQG-BWZBUEFSSA-N 1 0 213.243 2.076 10 0 BEAERO [NH3+]C1CC(C(=O)Nc2ccccc2Cl)C1 ZINC000258873175 635216710 /nfs/dbraw/zinc/21/67/10/635216710.db2.gz ZVBPKLHSSYBGFA-UHFFFAOYSA-N 1 0 224.691 2.016 10 0 BEAERO Cc1cc(C)c(NC(=O)C2CC([NH3+])C2)c(C)c1 ZINC000258873166 635216917 /nfs/dbraw/zinc/21/69/17/635216917.db2.gz ZUXDGMWWFFCHNH-UHFFFAOYSA-N 1 0 232.327 2.288 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)o1 ZINC000336757178 635281114 /nfs/dbraw/zinc/28/11/14/635281114.db2.gz JAKCFKNQQRZIBU-LPEHRKFASA-N 1 0 211.305 2.262 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000336778193 635287193 /nfs/dbraw/zinc/28/71/93/635287193.db2.gz KPJITQGXIPAXTN-XHNCKOQMSA-N 1 0 229.270 2.385 10 0 BEAERO CC(C)c1ncc(C[NH2+][C@@H](C)[C@@H](C)O)s1 ZINC000336772864 635288452 /nfs/dbraw/zinc/28/84/52/635288452.db2.gz YKVZYOQFZGKTMB-DTWKUNHWSA-N 1 0 228.361 2.125 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)C[C@H]1CCCO1 ZINC000054026620 635326775 /nfs/dbraw/zinc/32/67/75/635326775.db2.gz MMQMXUJGLNZQQH-LLVKDONJSA-N 1 0 227.348 2.103 10 0 BEAERO CCCc1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000054072093 635344705 /nfs/dbraw/zinc/34/47/05/635344705.db2.gz DWCVXZWYKACPFM-SNVBAGLBSA-N 1 0 220.316 2.186 10 0 BEAERO CCCCCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000054074191 635345796 /nfs/dbraw/zinc/34/57/96/635345796.db2.gz QWLJMLZXJDSFFU-GHMZBOCLSA-N 1 0 214.353 2.069 10 0 BEAERO C[C@H](C[NH3+])c1noc(CCC2CCCC2)n1 ZINC000054158578 635774498 /nfs/dbraw/zinc/77/44/98/635774498.db2.gz RLNSELWXKMFXDX-SECBINFHSA-N 1 0 223.320 2.255 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2ccccc2Cl)n1 ZINC000054158702 635774857 /nfs/dbraw/zinc/77/48/57/635774857.db2.gz FCHKKRNJVIPYHM-SSDOTTSWSA-N 1 0 237.690 2.452 10 0 BEAERO Cn1ccc2cc(NCC[NH+](C)C)ccc21 ZINC000082711034 636403087 /nfs/dbraw/zinc/40/30/87/636403087.db2.gz ORXZTEOOLZFOQL-UHFFFAOYSA-N 1 0 217.316 2.152 10 0 BEAERO Cc1ccc(-c2ccnc(C)c2)c(C[NH3+])n1 ZINC000669372563 636548855 /nfs/dbraw/zinc/54/88/55/636548855.db2.gz RYIVDYAVQQQYCF-UHFFFAOYSA-N 1 0 213.284 2.219 10 0 BEAERO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)C1CCC1 ZINC000322876875 636880795 /nfs/dbraw/zinc/88/07/95/636880795.db2.gz XQFCQDDXMCABGV-AVGNSLFASA-N 1 0 211.349 2.316 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCN(OCC)CC1 ZINC000323505501 637005247 /nfs/dbraw/zinc/00/52/47/637005247.db2.gz PHKGBCCZSHJUBK-YPMHNXCESA-N 1 0 226.364 2.181 10 0 BEAERO O=S1CCC([NH2+]CC2CCCCC2)CC1 ZINC000042336318 637179143 /nfs/dbraw/zinc/17/91/43/637179143.db2.gz DURQHLTYQWERNL-UHFFFAOYSA-N 1 0 229.389 2.067 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(CC2CC2)no1 ZINC000149013936 637899281 /nfs/dbraw/zinc/89/92/81/637899281.db2.gz GWVBEHYKZLDOBJ-WDEREUQCSA-N 1 0 235.331 2.255 10 0 BEAERO Cc1cc(NCCc2ccccc2C)nc(N)[nH+]1 ZINC000043533038 638518276 /nfs/dbraw/zinc/51/82/76/638518276.db2.gz AVXDNEUJMNKYBP-UHFFFAOYSA-N 1 0 242.326 2.330 10 0 BEAERO Cc1cc(NCCc2ccccc2F)nc(N)[nH+]1 ZINC000043533074 638518423 /nfs/dbraw/zinc/51/84/23/638518423.db2.gz KIHZGYOVRYBUJM-UHFFFAOYSA-N 1 0 246.289 2.161 10 0 BEAERO Cc1cccc(Cc2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000043561007 638585812 /nfs/dbraw/zinc/58/58/12/638585812.db2.gz PFFFHVHAISOERA-GFCCVEGCSA-N 1 0 243.310 2.393 10 0 BEAERO C[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)[C@H](C)O ZINC000348398824 639140731 /nfs/dbraw/zinc/14/07/31/639140731.db2.gz KDAQFLMHSXEMTD-LLTHYPCUSA-N 1 0 237.318 2.431 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)O)CCC2 ZINC000348422060 639162119 /nfs/dbraw/zinc/16/21/19/639162119.db2.gz SBSWXHCXDILKIQ-JRPNMDOOSA-N 1 0 249.354 2.432 10 0 BEAERO [NH3+]CC1CCC(Nc2ccccn2)CC1 ZINC000150013794 639233721 /nfs/dbraw/zinc/23/37/21/639233721.db2.gz HXKOHNKFHWGQFN-UHFFFAOYSA-N 1 0 205.305 2.011 10 0 BEAERO CCC[C@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699132 640321500 /nfs/dbraw/zinc/32/15/00/640321500.db2.gz WOOSCWIZHKEPIF-JTQLQIEISA-N 1 0 222.336 2.273 10 0 BEAERO C[C@@H]1C[C@@H](N[C@@H]2COc3ccccc32)CC[N@@H+]1C ZINC000156584436 640468157 /nfs/dbraw/zinc/46/81/57/640468157.db2.gz MORVBRDGKFHSKX-MBNYWOFBSA-N 1 0 246.354 2.192 10 0 BEAERO CCCC[NH2+]C[C@H](O)c1ccccc1OC ZINC000032014585 640471202 /nfs/dbraw/zinc/47/12/02/640471202.db2.gz MBWRBVFUSWHTQN-LBPRGKRZSA-N 1 0 223.316 2.118 10 0 BEAERO OC1CC(C[NH2+]Cc2cncc3ccccc32)C1 ZINC000164973869 640521180 /nfs/dbraw/zinc/52/11/80/640521180.db2.gz LZZJWNWRPVBNDV-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO [NH3+]C[C@@H]1CCCN1Cc1cncc2ccccc21 ZINC000165085020 640533444 /nfs/dbraw/zinc/53/34/44/640533444.db2.gz LYNLNQYPGMPRGX-AWEZNQCLSA-N 1 0 241.338 2.158 10 0 BEAERO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccco1 ZINC000032102844 640587009 /nfs/dbraw/zinc/58/70/09/640587009.db2.gz ZHNBFXJOBFXKDY-ZDUSSCGKSA-N 1 0 247.294 2.111 10 0 BEAERO C[C@@H]1CCC[C@H]1c1nc(C2CC[NH2+]CC2)no1 ZINC000225417954 640692667 /nfs/dbraw/zinc/69/26/67/640692667.db2.gz ULAHAEUDWMBBJW-MWLCHTKSSA-N 1 0 235.331 2.440 10 0 BEAERO CC[C@@H]1CC[NH2+][C@H]([C@@H](C)C(=O)C2CC2)C1 ZINC000167558039 640731422 /nfs/dbraw/zinc/73/14/22/640731422.db2.gz HWWOJPDKJHVZKO-FOGDFJRCSA-N 1 0 209.333 2.380 10 0 BEAERO CC[C@H](C)Cc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000167772035 640746146 /nfs/dbraw/zinc/74/61/46/640746146.db2.gz UUQKCDOXOKHOEA-WDEREUQCSA-N 1 0 237.347 2.200 10 0 BEAERO C[C@@H]([NH3+])[C@@H]1COc2cc(F)c(Cl)cc2C1 ZINC000675064390 640962159 /nfs/dbraw/zinc/96/21/59/640962159.db2.gz ZFCHUCQIDNTISV-SVRRBLITSA-N 1 0 229.682 2.377 10 0 BEAERO C1C[C@H](c2nc([C@@H]3CCCCS3)no2)C[NH2+]1 ZINC000087700437 640978801 /nfs/dbraw/zinc/97/88/01/640978801.db2.gz WBOSIKRPFDOPEU-IUCAKERBSA-N 1 0 239.344 2.105 10 0 BEAERO C1C[C@H](c2nc([C@H]3CCCCS3)no2)C[NH2+]1 ZINC000087700438 640979108 /nfs/dbraw/zinc/97/91/08/640979108.db2.gz WBOSIKRPFDOPEU-DTWKUNHWSA-N 1 0 239.344 2.105 10 0 BEAERO C1C[NH2+][C@@H](c2nc([C@@H]3CCCCS3)no2)C1 ZINC000087700233 640979229 /nfs/dbraw/zinc/97/92/29/640979229.db2.gz CSANAKNVIQRWEK-BDAKNGLRSA-N 1 0 239.344 2.452 10 0 BEAERO CC(C)C[C@@H](CNCc1ccoc1)[NH+](C)C ZINC000062103578 641020963 /nfs/dbraw/zinc/02/09/63/641020963.db2.gz KQVVNSXPOMVCEM-ZDUSSCGKSA-N 1 0 224.348 2.346 10 0 BEAERO COC[C@H]1CCCN(CC(=O)c2ccccc2)C1 ZINC000062161103 641024227 /nfs/dbraw/zinc/02/42/27/641024227.db2.gz CUSZKGGKLMEVCW-ZDUSSCGKSA-N 1 0 247.338 2.228 10 0 BEAERO COC1CC([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000230689298 641086269 /nfs/dbraw/zinc/08/62/69/641086269.db2.gz LAOMZXPEKRLCPF-UHFFFAOYSA-N 1 0 245.244 2.371 10 0 BEAERO COC[C@H](C)C[NH2+][C@H](C)Cc1ccco1 ZINC000062772076 641088424 /nfs/dbraw/zinc/08/84/24/641088424.db2.gz OYOMYPRYVUICGO-GHMZBOCLSA-N 1 0 211.305 2.083 10 0 BEAERO CCC(C)(C)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084430 641128054 /nfs/dbraw/zinc/12/80/54/641128054.db2.gz CYRSHODBQKTHEF-JTQLQIEISA-N 1 0 237.347 2.299 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCc1cccs1 ZINC000077364863 641145720 /nfs/dbraw/zinc/14/57/20/641145720.db2.gz WTQKWVOPFKSKOV-PHIMTYICSA-N 1 0 225.357 2.400 10 0 BEAERO CC(C)C[C@H]([NH3+])Cc1nc([C@@H]2CC2(C)C)no1 ZINC000232604495 641303665 /nfs/dbraw/zinc/30/36/65/641303665.db2.gz JYHHREMEBCQOBE-UWVGGRQHSA-N 1 0 237.347 2.499 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@H](C)O ZINC000088162393 641319691 /nfs/dbraw/zinc/31/96/91/641319691.db2.gz OMDKABLLROZFNL-UTLUCORTSA-N 1 0 211.280 2.246 10 0 BEAERO [NH3+]CCCC1(NC(=O)C2CCC2)CCCCC1 ZINC000675074399 641324723 /nfs/dbraw/zinc/32/47/23/641324723.db2.gz VRGCXTWZVGSFHV-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1Cc1ccccc1F ZINC000042407749 641551400 /nfs/dbraw/zinc/55/14/00/641551400.db2.gz JWIJKGUBTBQQHD-CYBMUJFWSA-N 1 0 236.334 2.400 10 0 BEAERO Cc1cc(N[C@@H]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000043532282 641564977 /nfs/dbraw/zinc/56/49/77/641564977.db2.gz HDYAUZPFJDOXNF-WCBMZHEXSA-N 1 0 220.320 2.358 10 0 BEAERO Cc1cc(N2CCCCCCC2)nc(N)[nH+]1 ZINC000043532279 641566046 /nfs/dbraw/zinc/56/60/46/641566046.db2.gz KEMQZQKYKCBPPE-UHFFFAOYSA-N 1 0 220.320 2.138 10 0 BEAERO CC(C)(C)Cc1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000096877083 641602045 /nfs/dbraw/zinc/60/20/45/641602045.db2.gz DGXYWZKYDACGCZ-SNVBAGLBSA-N 1 0 237.347 2.343 10 0 BEAERO CC(C)[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1C[C@H]1C ZINC000097141823 641604397 /nfs/dbraw/zinc/60/43/97/641604397.db2.gz ZFRCSZDMWCFDTD-UTLUCORTSA-N 1 0 239.281 2.276 10 0 BEAERO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158996110 641659242 /nfs/dbraw/zinc/65/92/42/641659242.db2.gz SMQPJFNCLFLZOH-HGIZFUKPSA-N 1 0 238.375 2.188 10 0 BEAERO CCCCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000077247981 641839560 /nfs/dbraw/zinc/83/95/60/641839560.db2.gz UROQCQYRGDPEHH-GFCCVEGCSA-N 1 0 226.364 2.119 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000092785296 642453036 /nfs/dbraw/zinc/45/30/36/642453036.db2.gz HMLIIUJLIZXLMS-LBPRGKRZSA-N 1 0 209.289 2.017 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000233397786 642668605 /nfs/dbraw/zinc/66/86/05/642668605.db2.gz FNDPHCXIDXYKGX-NWDGAFQWSA-N 1 0 211.349 2.460 10 0 BEAERO CC(C)(C)Cc1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000068847670 642804221 /nfs/dbraw/zinc/80/42/21/642804221.db2.gz GBHPOPOHQRYQAL-SNVBAGLBSA-N 1 0 237.347 2.200 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C2CC2)c1 ZINC000070881945 643074546 /nfs/dbraw/zinc/07/45/46/643074546.db2.gz ZEABHUOSMGIDNL-RISCZKNCSA-N 1 0 219.328 2.417 10 0 BEAERO C[C@H]([NH2+]C[Si](C)(C)C)[C@@H]1CCCO1 ZINC000183197464 643095458 /nfs/dbraw/zinc/09/54/58/643095458.db2.gz UMARNUDSFIXOGT-UWVGGRQHSA-N 1 0 201.386 2.021 10 0 BEAERO C[NH2+][C@@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000071200729 643109741 /nfs/dbraw/zinc/10/97/41/643109741.db2.gz LVUTYPCUDAFQQS-RBSFLKMASA-N 1 0 230.355 2.226 10 0 BEAERO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1cc(F)ccc1F ZINC000071299270 643125855 /nfs/dbraw/zinc/12/58/55/643125855.db2.gz AYHNTYZMJCVURB-AMIZOPFISA-N 1 0 241.281 2.386 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)C1CC1)c1cc(F)ccc1F ZINC000071299264 643126283 /nfs/dbraw/zinc/12/62/83/643126283.db2.gz AYHNTYZMJCVURB-SDBXPKJASA-N 1 0 241.281 2.386 10 0 BEAERO OCCCCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000175748304 643163664 /nfs/dbraw/zinc/16/36/64/643163664.db2.gz HTXUYADBLZXVCY-KGLIPLIRSA-N 1 0 241.375 2.183 10 0 BEAERO [NH3+]CCc1nc(C(C2CCC2)C2CCC2)no1 ZINC000306085565 643293273 /nfs/dbraw/zinc/29/32/73/643293273.db2.gz JTVYHSPAYMPPTJ-UHFFFAOYSA-N 1 0 235.331 2.255 10 0 BEAERO C[C@@H]1CC[NH2+]C2(CCC(F)(F)CC2)O1 ZINC000757143505 643308658 /nfs/dbraw/zinc/30/86/58/643308658.db2.gz NDZRICIYMPCGNJ-MRVPVSSYSA-N 1 0 205.248 2.290 10 0 BEAERO CC[C@@H](C)c1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000082563230 643342924 /nfs/dbraw/zinc/34/29/24/643342924.db2.gz BSDNLDUZHSHPPB-RKDXNWHRSA-N 1 0 211.309 2.109 10 0 BEAERO CC[C@H](C)c1noc(CCC(C)(C)[NH3+])n1 ZINC000082561195 643342984 /nfs/dbraw/zinc/34/29/84/643342984.db2.gz HRHGBJWIPZQSRW-QMMMGPOBSA-N 1 0 211.309 2.253 10 0 BEAERO c1sc2ccccc2c1COC1C[NH2+]C1 ZINC000082579748 643345758 /nfs/dbraw/zinc/34/57/58/643345758.db2.gz SSCOWRAROVHIAA-UHFFFAOYSA-N 1 0 219.309 2.390 10 0 BEAERO Cc1cc2ccccc2nc1N[C@@H](C)C[NH3+] ZINC000082576448 643347963 /nfs/dbraw/zinc/34/79/63/643347963.db2.gz IMUYDSIQPVZHTJ-JTQLQIEISA-N 1 0 215.300 2.302 10 0 BEAERO CC(C)(C)Cc1noc([C@H]2CCC[NH2+]2)n1 ZINC000082673377 643365510 /nfs/dbraw/zinc/36/55/10/643365510.db2.gz PAJKLXJKULKWJW-MRVPVSSYSA-N 1 0 209.293 2.083 10 0 BEAERO CCOC(=O)[C@H]1CCC[NH2+][C@H]1c1ccsc1 ZINC000757211038 643369726 /nfs/dbraw/zinc/36/97/26/643369726.db2.gz FRMOFKRCLOPVPK-QWRGUYRKSA-N 1 0 239.340 2.352 10 0 BEAERO CC[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000082863304 643386723 /nfs/dbraw/zinc/38/67/23/643386723.db2.gz GFNWEAVZFFOKBG-KXUCPTDWSA-N 1 0 239.281 2.468 10 0 BEAERO CC(C)[C@H](C)[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000307274179 643426427 /nfs/dbraw/zinc/42/64/27/643426427.db2.gz MJFPHLGXBDGXKH-VHSXEESVSA-N 1 0 230.352 2.131 10 0 BEAERO Cc1ccc(C)c(-c2cnn(CC[NH3+])c2)c1 ZINC000049815880 643464081 /nfs/dbraw/zinc/46/40/81/643464081.db2.gz KBNHUDJTBFOZGV-UHFFFAOYSA-N 1 0 215.300 2.126 10 0 BEAERO O[C@H](C[NH+]1CCCC1)c1cc(F)ccc1F ZINC000049820713 643464280 /nfs/dbraw/zinc/46/42/80/643464280.db2.gz HBKZAGYSUFQRQH-GFCCVEGCSA-N 1 0 227.254 2.094 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000049948616 643626698 /nfs/dbraw/zinc/62/66/98/643626698.db2.gz VRIDZBMQGBWIGH-NWDGAFQWSA-N 1 0 249.310 2.072 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000086902805 643642719 /nfs/dbraw/zinc/64/27/19/643642719.db2.gz PRNBUQSFSVHELB-IJLUTSLNSA-N 1 0 209.333 2.476 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])C1CCCCCC1 ZINC000084328233 643657210 /nfs/dbraw/zinc/65/72/10/643657210.db2.gz WBJKCQALBSMNTD-LLVKDONJSA-N 1 0 213.321 2.237 10 0 BEAERO CC(C)c1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305424 643658318 /nfs/dbraw/zinc/65/83/18/643658318.db2.gz DONYDMCVDYVFJP-RKDXNWHRSA-N 1 0 209.293 2.035 10 0 BEAERO c1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000087790679 643674297 /nfs/dbraw/zinc/67/42/97/643674297.db2.gz VXNKLINIIDWVSR-MCIONIFRSA-N 1 0 217.312 2.139 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000050369259 643690741 /nfs/dbraw/zinc/69/07/41/643690741.db2.gz SRIWLYLXPWVWCN-UHTWSYAYSA-N 1 0 220.316 2.300 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000050370868 643691371 /nfs/dbraw/zinc/69/13/71/643691371.db2.gz OJDVZSKGQLOWBA-GJZGRUSLSA-N 1 0 231.339 2.311 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000050370866 643691405 /nfs/dbraw/zinc/69/14/05/643691405.db2.gz OJDVZSKGQLOWBA-LSDHHAIUSA-N 1 0 231.339 2.311 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000050369045 643691583 /nfs/dbraw/zinc/69/15/83/643691583.db2.gz GMJPRUHAHJOXOQ-KGLIPLIRSA-N 1 0 219.328 2.386 10 0 BEAERO [NH3+]C1CC(CNc2ncc(Cl)cc2F)C1 ZINC000086712357 644165907 /nfs/dbraw/zinc/16/59/07/644165907.db2.gz QQSJUSIHIVZJOI-UHFFFAOYSA-N 1 0 229.686 2.023 10 0 BEAERO CC[C@@H](C)c1noc(-c2ccc(C[NH3+])o2)n1 ZINC000087043508 644475445 /nfs/dbraw/zinc/47/54/45/644475445.db2.gz IMVHPVGOIPMJRW-SSDOTTSWSA-N 1 0 221.260 2.302 10 0 BEAERO CCCCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087122990 644478379 /nfs/dbraw/zinc/47/83/79/644478379.db2.gz DYNKXJTVNWDYGE-RYUDHWBXSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@@]1(C[NH2+]CCc2ccccc2)CCCO1 ZINC000087233156 644485248 /nfs/dbraw/zinc/48/52/48/644485248.db2.gz ZQBUFXFHYNGXLI-AWEZNQCLSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2O)sc1C ZINC000087375900 644492757 /nfs/dbraw/zinc/49/27/57/644492757.db2.gz KSQNVUNULMYVCV-WDEREUQCSA-N 1 0 240.372 2.153 10 0 BEAERO CCN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(C)cc1 ZINC000091542512 644630241 /nfs/dbraw/zinc/63/02/41/644630241.db2.gz WKQHJVCZIMFYEM-QWHCGFSZSA-N 1 0 246.354 2.475 10 0 BEAERO CCCCC[C@@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000092052317 644645434 /nfs/dbraw/zinc/64/54/34/644645434.db2.gz NXEKQEJGNAHLHD-KGLIPLIRSA-N 1 0 242.407 2.266 10 0 BEAERO CCCCC[C@@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000092052314 644645790 /nfs/dbraw/zinc/64/57/90/644645790.db2.gz NXEKQEJGNAHLHD-ZIAGYGMSSA-N 1 0 242.407 2.266 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000094648053 644723252 /nfs/dbraw/zinc/72/32/52/644723252.db2.gz WDYQQCZPEIGFDN-OCCSQVGLSA-N 1 0 246.354 2.346 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](c2nc([C@H]3CCCS3)no2)C1 ZINC000251272080 644800570 /nfs/dbraw/zinc/80/05/70/644800570.db2.gz MAOMURUUJUBJKA-IWSPIJDZSA-N 1 0 239.344 2.233 10 0 BEAERO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC000251492586 644805884 /nfs/dbraw/zinc/80/58/84/644805884.db2.gz TYFAFSRZMGIZIQ-OCCSQVGLSA-N 1 0 247.338 2.236 10 0 BEAERO C[C@@H]1C[C@@H]1c1noc([C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000252115824 644835598 /nfs/dbraw/zinc/83/55/98/644835598.db2.gz KFBNICUQTSYIIQ-YTWAJWBKSA-N 1 0 235.331 2.426 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000252155345 644838881 /nfs/dbraw/zinc/83/88/81/644838881.db2.gz NEFQIERABLKVOU-FRRDWIJNSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H](Cc1ccco1)[NH2+]C[C@H](O)C(C)(C)C ZINC000304283711 644885745 /nfs/dbraw/zinc/88/57/45/644885745.db2.gz XUCKSBVDCRXHHR-PWSUYJOCSA-N 1 0 225.332 2.207 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000252732442 644892620 /nfs/dbraw/zinc/89/26/20/644892620.db2.gz VCBQMKGQLQOPPD-UMNHJUIQSA-N 1 0 221.300 2.133 10 0 BEAERO C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1cccs1 ZINC000304383781 644898094 /nfs/dbraw/zinc/89/80/94/644898094.db2.gz RIGSJVNDWUYKBH-PSASIEDQSA-N 1 0 238.356 2.053 10 0 BEAERO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1cccs1 ZINC000304383783 644899133 /nfs/dbraw/zinc/89/91/33/644899133.db2.gz RIGSJVNDWUYKBH-SCZZXKLOSA-N 1 0 238.356 2.053 10 0 BEAERO [NH3+][C@@H]1CC[C@H](c2nc(CC3CCC3)no2)C1 ZINC000304620352 644921174 /nfs/dbraw/zinc/92/11/74/644921174.db2.gz PBHKONBGIPCWFY-VHSXEESVSA-N 1 0 221.304 2.007 10 0 BEAERO CCCC[C@@H](C)c1nc(CC[NH2+]C)no1 ZINC000300957070 645899295 /nfs/dbraw/zinc/89/92/95/645899295.db2.gz PUOWZVFJINKMSI-SECBINFHSA-N 1 0 211.309 2.125 10 0 BEAERO OC[C@@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC000308413977 711526134 /nfs/dbraw/zinc/52/61/34/711526134.db2.gz NFLJGOKHJJSPBH-MEQVVJDKSA-N 1 0 211.692 2.062 10 0 BEAERO C(CO[C@H]1CCOC1)[NH2+]C1(C2CCC2)CCC1 ZINC000724942443 711632301 /nfs/dbraw/zinc/63/23/01/711632301.db2.gz BKENRHYNSVSVEA-ZDUSSCGKSA-N 1 0 239.359 2.104 10 0 BEAERO COC[C@](C)(O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719264123 711669800 /nfs/dbraw/zinc/66/98/00/711669800.db2.gz DWDZJTVXVAFXMQ-GXTWGEPZSA-N 1 0 243.391 2.332 10 0 BEAERO CCCCOCC[NH2+][C@@H]1CCCSC1 ZINC000061588932 711839017 /nfs/dbraw/zinc/83/90/17/711839017.db2.gz BFACNWYIVJVQBR-LLVKDONJSA-N 1 0 217.378 2.288 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cncc(OC)c1 ZINC000700010236 711982567 /nfs/dbraw/zinc/98/25/67/711982567.db2.gz CAZXPXMTYCYJPZ-YPMHNXCESA-N 1 0 220.316 2.368 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1nnc(CC)s1 ZINC000702715169 712060010 /nfs/dbraw/zinc/06/00/10/712060010.db2.gz ZOFRUNVWHITGFQ-BDAKNGLRSA-N 1 0 225.361 2.379 10 0 BEAERO CC(C)[C@H](C)N1CCc2sc(C[NH3+])nc2C1 ZINC000709698017 712215977 /nfs/dbraw/zinc/21/59/77/712215977.db2.gz VMQRLIAPZTYLTQ-VIFPVBQESA-N 1 0 239.388 2.004 10 0 BEAERO CC(C)(C)SCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000379780731 712398998 /nfs/dbraw/zinc/39/89/98/712398998.db2.gz CFVFHVFIWWRYJR-GHMZBOCLSA-N 1 0 231.405 2.411 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713097946 712452437 /nfs/dbraw/zinc/45/24/37/712452437.db2.gz GHRYYGJNWRQESC-WOPDTQHZSA-N 1 0 240.391 2.301 10 0 BEAERO COCC1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000713958142 712475203 /nfs/dbraw/zinc/47/52/03/712475203.db2.gz DDVYQKYDCOKIFG-UHFFFAOYSA-N 1 0 241.281 2.479 10 0 BEAERO COCC1CC([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000713962632 712475222 /nfs/dbraw/zinc/47/52/22/712475222.db2.gz ZMOYWQVGOINFLM-UHFFFAOYSA-N 1 0 241.281 2.479 10 0 BEAERO COCC1CC([NH2+]CC2(OC)CCCCC2)C1 ZINC000713972536 712475482 /nfs/dbraw/zinc/47/54/82/712475482.db2.gz ZRUUELHFTLEJON-UHFFFAOYSA-N 1 0 241.375 2.350 10 0 BEAERO CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H](CCO)C2)O1 ZINC000714387045 712487343 /nfs/dbraw/zinc/48/73/43/712487343.db2.gz VFFMGJIHTMVMMX-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO CC1(C)CCC[C@@H](C[N@@H+]2CC[C@H](CCO)C2)O1 ZINC000714387044 712487367 /nfs/dbraw/zinc/48/73/67/712487367.db2.gz VFFMGJIHTMVMMX-OLZOCXBDSA-N 1 0 241.375 2.038 10 0 BEAERO CCCc1noc(CCCCCC[NH3+])n1 ZINC000036915804 712515441 /nfs/dbraw/zinc/51/54/41/712515441.db2.gz YTPAKTYDIJBXOY-UHFFFAOYSA-N 1 0 211.309 2.084 10 0 BEAERO CC1CCC(C[NH2+]CC2OCCCO2)CC1 ZINC000716404141 712558955 /nfs/dbraw/zinc/55/89/55/712558955.db2.gz FHOUIBMDGFSAQV-UHFFFAOYSA-N 1 0 227.348 2.165 10 0 BEAERO CC(C)C1CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716686685 712570199 /nfs/dbraw/zinc/57/01/99/712570199.db2.gz ZIFFTUKSECMCMR-UHFFFAOYSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@@H](C[C@H](C)O)[NH2+]CCc1ccccc1 ZINC000716955330 712599848 /nfs/dbraw/zinc/59/98/48/712599848.db2.gz PVHIFNCJOCVOPC-JSGCOSHPSA-N 1 0 221.344 2.368 10 0 BEAERO CCCCCCNC(=O)C1CCC([NH3+])CC1 ZINC000037482300 712648208 /nfs/dbraw/zinc/64/82/08/712648208.db2.gz VPLJMVUJLDJKGB-UHFFFAOYSA-N 1 0 226.364 2.200 10 0 BEAERO CCCC[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000037485260 712650957 /nfs/dbraw/zinc/65/09/57/712650957.db2.gz QUXYAHBJLZYVFD-SNVBAGLBSA-N 1 0 238.297 2.260 10 0 BEAERO CS[C@@H]1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000380003918 712651919 /nfs/dbraw/zinc/65/19/19/712651919.db2.gz KRSBTSKVLTVDCH-AXFHLTTASA-N 1 0 231.405 2.267 10 0 BEAERO CO[C@@H](C)CC[NH2+]CCc1ccccc1 ZINC000380200854 712716966 /nfs/dbraw/zinc/71/69/66/712716966.db2.gz TXUHCJARFRPOKG-LBPRGKRZSA-N 1 0 207.317 2.244 10 0 BEAERO Cc1coc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000718147188 712748628 /nfs/dbraw/zinc/74/86/28/712748628.db2.gz WIJUNRVXLJWZGO-CMPLNLGQSA-N 1 0 209.289 2.245 10 0 BEAERO CC(C)C[C@@H](C)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000720584374 712854839 /nfs/dbraw/zinc/85/48/39/712854839.db2.gz RAWIRTGUIMJDDC-GHMZBOCLSA-N 1 0 224.352 2.148 10 0 BEAERO C[NH2+]C[C@H](C)c1noc([C@@H]2CCC[C@H]2C)n1 ZINC000721049679 712888510 /nfs/dbraw/zinc/88/85/10/712888510.db2.gz FYWNLQFERPZODX-KXUCPTDWSA-N 1 0 223.320 2.296 10 0 BEAERO CC[C@@H]([NH2+]CC1CC(OC)C1)[C@H]1CCCOC1 ZINC000723954302 710734185 /nfs/dbraw/zinc/73/41/85/710734185.db2.gz HVCQUIVLGIDYNW-GNRIBBGQSA-N 1 0 241.375 2.206 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1Nc1nccc2occc21 ZINC000721981032 710696021 /nfs/dbraw/zinc/69/60/21/710696021.db2.gz FPUNVGFSELDZSR-NSHDSACASA-N 1 0 231.299 2.238 10 0 BEAERO C=C/C=C\CC[N@H+]1CCC[C@H]1CCCO ZINC000713755526 711455026 /nfs/dbraw/zinc/45/50/26/711455026.db2.gz NSNBLPSNLDPPSV-SCOBNMCVSA-N 1 0 209.333 2.356 10 0 BEAERO [NH3+]Cc1cccc(C(=O)NCCC2CCCC2)c1 ZINC000037741058 711480812 /nfs/dbraw/zinc/48/08/12/711480812.db2.gz OIHCGVRPUPSXRY-UHFFFAOYSA-N 1 0 246.354 2.455 10 0 BEAERO C[C@H]([NH2+]Cc1scnc1Cl)[C@@H]1CCCO1 ZINC000713445959 711489991 /nfs/dbraw/zinc/48/99/91/711489991.db2.gz AOIXCWXVZPPJPB-YUMQZZPRSA-N 1 0 246.763 2.454 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723625033 711526641 /nfs/dbraw/zinc/52/66/41/711526641.db2.gz NGHNEDSVKLQTMF-LBELIVKGSA-N 1 0 209.333 2.190 10 0 BEAERO C[C@@H]1CN(c2nccc3occc32)C[C@H]1CC[NH3+] ZINC000723911583 711544656 /nfs/dbraw/zinc/54/46/56/711544656.db2.gz BLIXHWWCBGICTJ-GHMZBOCLSA-N 1 0 245.326 2.249 10 0 BEAERO Cc1cnc(C[NH2+]Cc2ccncc2)c(C)c1 ZINC000724023175 711556683 /nfs/dbraw/zinc/55/66/83/711556683.db2.gz NCSSKHONDJTLQB-UHFFFAOYSA-N 1 0 227.311 2.383 10 0 BEAERO CC[C@H]1COC[C@H]1[NH2+]Cc1ncc(C)cc1C ZINC000724097951 711560589 /nfs/dbraw/zinc/56/05/89/711560589.db2.gz NMJMLJDVRWQTNY-GXTWGEPZSA-N 1 0 234.343 2.213 10 0 BEAERO CO[C@@H]1CC[C@H]1[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000724189998 711567595 /nfs/dbraw/zinc/56/75/95/711567595.db2.gz WGZHDJVRVPRDEK-RBSFLKMASA-N 1 0 249.354 2.003 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000724203954 711570012 /nfs/dbraw/zinc/57/00/12/711570012.db2.gz ZGBQKYZGIZQPFI-CHWSQXEVSA-N 1 0 209.333 2.236 10 0 BEAERO CC[C@@H]1COC[C@@H]1[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000724305224 711573893 /nfs/dbraw/zinc/57/38/93/711573893.db2.gz WLFUWUAYMRODHY-VTPLQMEGSA-N 1 0 241.375 2.205 10 0 BEAERO CC(C)(C)[C@H]([NH3+])CC(=O)NCC1CCCCC1 ZINC000136803852 711649652 /nfs/dbraw/zinc/64/96/52/711649652.db2.gz VCSHNSPUTMKGJE-GFCCVEGCSA-N 1 0 240.391 2.446 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000721862410 711791876 /nfs/dbraw/zinc/79/18/76/711791876.db2.gz HAVZYSBTGKLASQ-VXNVDRBHSA-N 1 0 245.248 2.120 10 0 BEAERO CCO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000721245703 711794427 /nfs/dbraw/zinc/79/44/27/711794427.db2.gz BAXOCYLSVRAQLO-HZSPNIEDSA-N 1 0 241.375 2.493 10 0 BEAERO COCC1(C[NH2+][C@@H](C)c2ncc(C)o2)CCC1 ZINC000310135078 711838112 /nfs/dbraw/zinc/83/81/12/711838112.db2.gz LTDFWDYTQNWSTJ-NSHDSACASA-N 1 0 238.331 2.450 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700466624 711993410 /nfs/dbraw/zinc/99/34/10/711993410.db2.gz CDZFBGOHIWUELZ-MNOVXSKESA-N 1 0 235.331 2.159 10 0 BEAERO C(C[C@@H]1CCC[NH2+]1)c1nc([C@H]2CC23CC3)no1 ZINC000700538747 711996647 /nfs/dbraw/zinc/99/66/47/711996647.db2.gz AWTVGAPOVFYPQQ-VHSXEESVSA-N 1 0 233.315 2.022 10 0 BEAERO C(C[C@H]1CCC[NH2+]1)c1nc([C@H]2CC23CC3)no1 ZINC000700538743 711996736 /nfs/dbraw/zinc/99/67/36/711996736.db2.gz AWTVGAPOVFYPQQ-NXEZZACHSA-N 1 0 233.315 2.022 10 0 BEAERO C[C@@H](C[NH3+])c1noc([C@H](C)Oc2ccccc2)n1 ZINC000700674956 712002051 /nfs/dbraw/zinc/00/20/51/712002051.db2.gz HTDRLFFTHXXNBT-UWVGGRQHSA-N 1 0 247.298 2.272 10 0 BEAERO CSC1CC([NH2+][C@H](CC(C)C)CN(C)C)C1 ZINC000706740464 712153492 /nfs/dbraw/zinc/15/34/92/712153492.db2.gz CLQMWTCZJBUOLO-OTTFEQOBSA-N 1 0 244.448 2.446 10 0 BEAERO CSC1CC([NH2+][C@H]2CC[C@H]2SC)C1 ZINC000706813761 712156479 /nfs/dbraw/zinc/15/64/79/712156479.db2.gz DVKSJEBJSPQCDZ-HORUIINNSA-N 1 0 217.403 2.364 10 0 BEAERO CSC1CC([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000706927286 712161756 /nfs/dbraw/zinc/16/17/56/712161756.db2.gz INEIAFCOKRECFV-YYJSSNLHSA-N 1 0 229.389 2.021 10 0 BEAERO COc1ncc(C[NH2+]C2CC(SC)C2)s1 ZINC000708270522 712184585 /nfs/dbraw/zinc/18/45/85/712184585.db2.gz SUZJCPSJBNDHJP-UHFFFAOYSA-N 1 0 244.385 2.135 10 0 BEAERO CSC1CC([NH2+]Cc2cccn2C)C1 ZINC000708305520 712186536 /nfs/dbraw/zinc/18/65/36/712186536.db2.gz MGFCRXPNVQGTFU-UHFFFAOYSA-N 1 0 210.346 2.009 10 0 BEAERO C[C@H]1CN(Cc2cc(Cl)cs2)C[C@@H]1C[NH3+] ZINC000708862485 712201336 /nfs/dbraw/zinc/20/13/36/712201336.db2.gz HEQORARWJNFYEJ-IUCAKERBSA-N 1 0 244.791 2.428 10 0 BEAERO C[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000708973806 712204723 /nfs/dbraw/zinc/20/47/23/712204723.db2.gz IORGSANOHKQBGT-BBBLOLIVSA-N 1 0 237.265 2.174 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C)CC(C)(C)C ZINC000709082915 712208351 /nfs/dbraw/zinc/20/83/51/712208351.db2.gz PJHOMUXDJRKBBA-SDDRHHMPSA-N 1 0 240.391 2.315 10 0 BEAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1nc3ccccc3o1)C2 ZINC000709801940 712227349 /nfs/dbraw/zinc/22/73/49/712227349.db2.gz GWALWUDJVKSMIN-DCAQKATOSA-N 1 0 243.310 2.144 10 0 BEAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1nc3ccccc3o1)C2 ZINC000709801938 712227573 /nfs/dbraw/zinc/22/75/73/712227573.db2.gz GWALWUDJVKSMIN-AXFHLTTASA-N 1 0 243.310 2.144 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1c1nc([C@H]2CC23CC3)no1 ZINC000710930385 712265944 /nfs/dbraw/zinc/26/59/44/712265944.db2.gz LHSXVZVGAIMTHA-RKDXNWHRSA-N 1 0 233.315 2.050 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1c1nc([C@H]2CC23CC3)no1 ZINC000710930382 712266260 /nfs/dbraw/zinc/26/62/60/712266260.db2.gz LHSXVZVGAIMTHA-BDAKNGLRSA-N 1 0 233.315 2.050 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCC1(OC)OC)C(C)C ZINC000710966891 712269859 /nfs/dbraw/zinc/26/98/59/712269859.db2.gz LMRCVRXFTGAALV-QWRGUYRKSA-N 1 0 215.337 2.162 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](C[C@H](C)C(C)(C)C)C[C@@H]1C ZINC000711128786 712285872 /nfs/dbraw/zinc/28/58/72/712285872.db2.gz HSTTUHBWZZYJMK-SDDRHHMPSA-N 1 0 241.375 2.410 10 0 BEAERO COCc1nc(C[NH2+]C[C@H]2C=CCC2)cs1 ZINC000711681953 712316823 /nfs/dbraw/zinc/31/68/23/712316823.db2.gz ZCOMCUPUVHKPKU-JTQLQIEISA-N 1 0 238.356 2.345 10 0 BEAERO c1cn(C2CC2)c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000711731807 712320707 /nfs/dbraw/zinc/32/07/07/712320707.db2.gz LWVBCQHBDDSJCJ-CYZMBNFOSA-N 1 0 231.343 2.496 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711782817 712329529 /nfs/dbraw/zinc/32/95/29/712329529.db2.gz HJZVEXVWJQDEQT-JTQLQIEISA-N 1 0 207.321 2.352 10 0 BEAERO c1ncn(CC[NH2+][C@H](C2CCC2)C2CCCC2)n1 ZINC000711895032 712338199 /nfs/dbraw/zinc/33/81/99/712338199.db2.gz PCNOJMVMYRYZCR-AWEZNQCLSA-N 1 0 248.374 2.227 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378964885 712368007 /nfs/dbraw/zinc/36/80/07/712368007.db2.gz SXJUGGUCAQYRLN-QMVSFRDZSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)[C@H](C)O ZINC000379547650 712387751 /nfs/dbraw/zinc/38/77/51/712387751.db2.gz XYIWHTAQQLQJBA-BBBLOLIVSA-N 1 0 219.394 2.266 10 0 BEAERO CCC[C@@H]1C[C@H]1NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713097943 712452363 /nfs/dbraw/zinc/45/23/63/712452363.db2.gz GHRYYGJNWRQESC-UTUOFQBUSA-N 1 0 240.391 2.301 10 0 BEAERO Cc1cc(C)nc(N(C)C2(C[NH3+])CCCCC2)n1 ZINC000713299786 712458566 /nfs/dbraw/zinc/45/85/66/712458566.db2.gz GUDRTWQCONKNJJ-UHFFFAOYSA-N 1 0 248.374 2.191 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000713525618 712464279 /nfs/dbraw/zinc/46/42/79/712464279.db2.gz FFBCVGJRKGWFTG-NWDGAFQWSA-N 1 0 243.391 2.188 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2cccnc2)C1 ZINC000713914760 712472932 /nfs/dbraw/zinc/47/29/32/712472932.db2.gz AAZURKXVJZLJMK-XSRFYTQQSA-N 1 0 220.316 2.157 10 0 BEAERO COCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000713917547 712472982 /nfs/dbraw/zinc/47/29/82/712472982.db2.gz PKNLONJDDJYOKP-UHFFFAOYSA-N 1 0 223.291 2.340 10 0 BEAERO CCc1ncc(C[NH2+]C2CC(COC)C2)s1 ZINC000713930734 712473704 /nfs/dbraw/zinc/47/37/04/712473704.db2.gz MYZLCQZAHTWTNL-UHFFFAOYSA-N 1 0 240.372 2.220 10 0 BEAERO CCc1cnc(C[NH2+]C2CC(COC)C2)s1 ZINC000713958177 712475004 /nfs/dbraw/zinc/47/50/04/712475004.db2.gz FOZVIRWMFKLHHC-UHFFFAOYSA-N 1 0 240.372 2.220 10 0 BEAERO CC[C@H]([NH2+]C1CC(COC)C1)[C@@H]1C[C@H]1C ZINC000713971587 712475564 /nfs/dbraw/zinc/47/55/64/712475564.db2.gz RIFHISQPFORFJK-IIBVRRFFSA-N 1 0 211.349 2.436 10 0 BEAERO CCOC1CCC([NH2+]C2CC(COC)C2)CC1 ZINC000713984043 712476035 /nfs/dbraw/zinc/47/60/35/712476035.db2.gz JQUNXUCGWXLGHX-UHFFFAOYSA-N 1 0 241.375 2.349 10 0 BEAERO COCC1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000713982441 712476232 /nfs/dbraw/zinc/47/62/32/712476232.db2.gz IXAOESMUEDYYDO-CXQJBGSLSA-N 1 0 229.389 2.287 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000713983495 712476255 /nfs/dbraw/zinc/47/62/55/712476255.db2.gz CEGXXDNGWQLXIT-ZWMSFMBMSA-N 1 0 209.333 2.190 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000714008371 712477285 /nfs/dbraw/zinc/47/72/85/712477285.db2.gz SIHAJFKNRUHCTQ-OTTFEQOBSA-N 1 0 239.359 2.103 10 0 BEAERO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)O1 ZINC000714355410 712483798 /nfs/dbraw/zinc/48/37/98/712483798.db2.gz AHXJYYHXLZNFGG-YNEHKIRRSA-N 1 0 241.375 2.227 10 0 BEAERO CCc1cc(N2CCC([NH3+])(CC)CC2)nc(C)n1 ZINC000714753268 712497409 /nfs/dbraw/zinc/49/74/09/712497409.db2.gz YGHSONWPLFPMKF-UHFFFAOYSA-N 1 0 248.374 2.055 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2cc(C(F)(F)F)ccn2)C1 ZINC000715084717 712507635 /nfs/dbraw/zinc/50/76/35/712507635.db2.gz APDBJBQKNCIWGL-OTSSQURYSA-N 1 0 245.248 2.250 10 0 BEAERO c1cc(N2CCOCC2)ccc1NCC1CC1 ZINC000036882462 712510329 /nfs/dbraw/zinc/51/03/29/712510329.db2.gz JWAAHHFZYNCDII-UHFFFAOYSA-N 1 0 232.327 2.345 10 0 BEAERO O=C(Nc1ccccc1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715364575 712521839 /nfs/dbraw/zinc/52/18/39/712521839.db2.gz YXYVHEUOXGZNLU-IUODEOHRSA-N 1 0 244.338 2.405 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C1CC1)c1cn(C)nn1 ZINC000715928799 712543669 /nfs/dbraw/zinc/54/36/69/712543669.db2.gz QGHLYWDGKBRPNX-DRZSPHRISA-N 1 0 248.374 2.435 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000037148548 712547673 /nfs/dbraw/zinc/54/76/73/712547673.db2.gz MHYANPWCTJRESC-WDEREUQCSA-N 1 0 236.363 2.311 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCCCCC1CC1 ZINC000716351698 712555804 /nfs/dbraw/zinc/55/58/04/712555804.db2.gz SSANJSXAVQAVJX-GFCCVEGCSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)c1cccc(C)c1 ZINC000716721413 712570678 /nfs/dbraw/zinc/57/06/78/712570678.db2.gz CRRSEVCWUZLFDF-RUXDESIVSA-N 1 0 246.354 2.300 10 0 BEAERO CC[NH2+][C@H](C)CNc1nccc2cccnc21 ZINC000716890948 712580973 /nfs/dbraw/zinc/58/09/73/712580973.db2.gz DUCKXADBBHRRFW-SNVBAGLBSA-N 1 0 230.315 2.040 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nccc2cccnc21 ZINC000716901179 712581045 /nfs/dbraw/zinc/58/10/45/712581045.db2.gz VOFFAGDSUPYLHK-ZJUUUORDSA-N 1 0 230.315 2.168 10 0 BEAERO COC(=O)/C(C)=C/C[NH2+]C1(C2CCC2)CCC1 ZINC000717883473 712731318 /nfs/dbraw/zinc/73/13/18/712731318.db2.gz CGLJJTDWBFGAJT-YRNVUSSQSA-N 1 0 237.343 2.418 10 0 BEAERO CC1CCC(C[NH2+]C2CC(CC(N)=O)C2)CC1 ZINC000718440250 712761606 /nfs/dbraw/zinc/76/16/06/712761606.db2.gz OKRLKKYUHFXDKR-UHFFFAOYSA-N 1 0 238.375 2.056 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CCC[C@@H](OC)CC2)C1 ZINC000718800766 712783323 /nfs/dbraw/zinc/78/33/23/712783323.db2.gz MNKVNECCEXMSNP-MELADBBJSA-N 1 0 240.391 2.018 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)CC2)C1 ZINC000718800767 712783481 /nfs/dbraw/zinc/78/34/81/712783481.db2.gz MNKVNECCEXMSNP-RDBSUJKOSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[C@@H](C)C[NH2+]CC(=O)NCc1ccccc1 ZINC000037908607 712785549 /nfs/dbraw/zinc/78/55/49/712785549.db2.gz SCIIVNNUPUHKRQ-CYBMUJFWSA-N 1 0 248.370 2.329 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ccnc2ncccc12 ZINC000718931074 712788510 /nfs/dbraw/zinc/78/85/10/712788510.db2.gz WJWRKNXPLXVBIQ-LLVKDONJSA-N 1 0 230.315 2.025 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1ccnc2ncccc12 ZINC000718928818 712789868 /nfs/dbraw/zinc/78/98/68/712789868.db2.gz DBGODSFTWXZZIN-GFCCVEGCSA-N 1 0 244.342 2.415 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccnc2ncccc12 ZINC000718981376 712791133 /nfs/dbraw/zinc/79/11/33/712791133.db2.gz JDSVMILPNWJWHS-CMPLNLGQSA-N 1 0 242.326 2.169 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1ccnc2ncccc12 ZINC000718986466 712792294 /nfs/dbraw/zinc/79/22/94/712792294.db2.gz NLLHNYDQURGTHT-NSHDSACASA-N 1 0 244.342 2.415 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccnc2ncccc12 ZINC000718989838 712792638 /nfs/dbraw/zinc/79/26/38/712792638.db2.gz PQVHSUFJVMUMEF-VHSXEESVSA-N 1 0 230.315 2.168 10 0 BEAERO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719191406 712799258 /nfs/dbraw/zinc/79/92/58/712799258.db2.gz SQDBGJHBLPRWMG-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO CCNC(=O)[C@H](C)[NH2+][C@H]1CCCCCC1(C)C ZINC000719222595 712800728 /nfs/dbraw/zinc/80/07/28/712800728.db2.gz CKOZMMKOERVBDW-RYUDHWBXSA-N 1 0 240.391 2.460 10 0 BEAERO COC[C@@H](O)CC[NH2+][C@H]1CCCCCC1(C)C ZINC000719236832 712800845 /nfs/dbraw/zinc/80/08/45/712800845.db2.gz LRLWBEHGRWAEMQ-STQMWFEESA-N 1 0 243.391 2.332 10 0 BEAERO Cn1cc(C[NH2+][C@H]2CCCCCC2(C)C)nn1 ZINC000719305694 712803992 /nfs/dbraw/zinc/80/39/92/712803992.db2.gz AGBHKBCBHRCNOL-LBPRGKRZSA-N 1 0 236.363 2.264 10 0 BEAERO CCCC[C@H](CC)[NH2+][C@H](C)c1cn(C)nn1 ZINC000720584738 712854653 /nfs/dbraw/zinc/85/46/53/712854653.db2.gz UZBGKHPXAAPGIK-MNOVXSKESA-N 1 0 224.352 2.435 10 0 BEAERO CCCC(CCC)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720583650 712854673 /nfs/dbraw/zinc/85/46/73/712854673.db2.gz LQPVAVZQLHRCAE-JTQLQIEISA-N 1 0 224.352 2.435 10 0 BEAERO CCCC(CCC)[NH2+][C@H](C)c1cn(C)nn1 ZINC000720583651 712854993 /nfs/dbraw/zinc/85/49/93/712854993.db2.gz LQPVAVZQLHRCAE-SNVBAGLBSA-N 1 0 224.352 2.435 10 0 BEAERO C[NH2+]CCN(c1cnc2ccccc2n1)C(C)C ZINC000720797770 712866600 /nfs/dbraw/zinc/86/66/00/712866600.db2.gz HHYYAOUTDDHHPO-UHFFFAOYSA-N 1 0 244.342 2.064 10 0 BEAERO CCCc1nccnc1NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721123326 712891766 /nfs/dbraw/zinc/89/17/66/712891766.db2.gz XACNZDBDTXMHEZ-VXGBXAGGSA-N 1 0 248.374 2.087 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055086717 1165997593 /nfs/dbraw/zinc/99/75/93/1165997593.db2.gz SRCNJESZHHOJRY-RYUDHWBXSA-N 1 0 226.364 2.153 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000130456093 1166305985 /nfs/dbraw/zinc/30/59/85/1166305985.db2.gz PYORMBZUNHXYJZ-GWCFXTLKSA-N 1 0 232.327 2.064 10 0 BEAERO CCSCCC[NH2+]Cc1ncccc1F ZINC000134770504 1168425532 /nfs/dbraw/zinc/42/55/32/1168425532.db2.gz HIMSAWQISSHDAJ-UHFFFAOYSA-N 1 0 228.336 2.454 10 0 BEAERO C[N@@H+](Cc1ccnc(Cl)c1)C[C@@H]1CCCO1 ZINC000051924517 959758295 /nfs/dbraw/zinc/75/82/95/959758295.db2.gz KTANDWNBQMPUMX-NSHDSACASA-N 1 0 240.734 2.346 10 0 BEAERO C[C@@H]1CCC[C@@H]([N@H+](C)CN2CCOC2=S)C1 ZINC000124598821 960748891 /nfs/dbraw/zinc/74/88/91/960748891.db2.gz BFOPEMZMJMBCAG-GHMZBOCLSA-N 1 0 242.388 2.072 10 0 BEAERO COc1ncccc1CNc1cc[nH+]cc1 ZINC000037485486 1170951421 /nfs/dbraw/zinc/95/14/21/1170951421.db2.gz QZKGKIYCVQHEHK-UHFFFAOYSA-N 1 0 215.256 2.097 10 0 BEAERO CC(C)C[NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC000037946164 1170996286 /nfs/dbraw/zinc/99/62/86/1170996286.db2.gz BYBAOVDTVCIGGY-LLVKDONJSA-N 1 0 240.734 2.112 10 0 BEAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000044562004 1171393139 /nfs/dbraw/zinc/39/31/39/1171393139.db2.gz LSNZHPHEYNNHEL-GFCCVEGCSA-N 1 0 224.373 2.322 10 0 BEAERO CC(C)CCCCOCC(F)(F)C[NH3+] ZINC000685955332 538900667 /nfs/dbraw/zinc/90/06/67/538900667.db2.gz COCRACFLRNWIAD-UHFFFAOYSA-N 1 0 209.280 2.423 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@H](C)c1ccc(F)cc1 ZINC000685963661 538910445 /nfs/dbraw/zinc/91/04/45/538910445.db2.gz VGZBDWGCVXLPMJ-ZYHUDNBSSA-N 1 0 225.307 2.147 10 0 BEAERO Cc1cc(C)cc([C@](O)([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784192 177919577 /nfs/dbraw/zinc/91/95/77/177919577.db2.gz BDMBOPFGMUCATQ-GXSJLCMTSA-N 1 0 247.260 2.401 10 0 BEAERO CCNCC(F)(F)COCCC(C)C ZINC000685957063 538903481 /nfs/dbraw/zinc/90/34/81/538903481.db2.gz LHZRDZBDGCVCEL-UHFFFAOYSA-N 1 0 209.280 2.294 10 0 BEAERO CC(C)[C@]1(CO)C[C@H]1C[NH+]1CCC(C)CC1 ZINC000685961176 538908187 /nfs/dbraw/zinc/90/81/87/538908187.db2.gz PBTMDGMUVIUFLM-UONOGXRCSA-N 1 0 225.376 2.373 10 0 BEAERO CC(C)CC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685962197 538908939 /nfs/dbraw/zinc/90/89/39/538908939.db2.gz XUWAENGLAINORM-CQSZACIVSA-N 1 0 248.370 2.061 10 0 BEAERO C[C@H](C[NH3+])C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962544 538909698 /nfs/dbraw/zinc/90/96/98/538909698.db2.gz MIMSHRPLTTWTKA-QWHCGFSZSA-N 1 0 249.354 2.393 10 0 BEAERO OC[C@@H](CC[NH2+]C1CCCCC1)C1CC1 ZINC000685963939 538910836 /nfs/dbraw/zinc/91/08/36/538910836.db2.gz ZYEAOPKNYHAWJS-GFCCVEGCSA-N 1 0 211.349 2.317 10 0 BEAERO C=C(OCC)c1ncccc1C[NH2+]C1CC1 ZINC000685965137 538911376 /nfs/dbraw/zinc/91/13/76/538911376.db2.gz PWKGUWNSYHTDIN-UHFFFAOYSA-N 1 0 218.300 2.341 10 0 BEAERO C=C(OCC)c1csc([C@H](C)[NH2+]C)n1 ZINC000685965241 538911556 /nfs/dbraw/zinc/91/15/56/538911556.db2.gz VPIHTMWKLWVSAH-ZETCQYMHSA-N 1 0 212.318 2.431 10 0 BEAERO C=C(OCC)c1cc(OC)ccc1C[NH3+] ZINC000685965143 538911637 /nfs/dbraw/zinc/91/16/37/538911637.db2.gz QCKTYUBSTGJBND-UHFFFAOYSA-N 1 0 207.273 2.161 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@@H](C)c1ccccc1 ZINC000685963363 538912301 /nfs/dbraw/zinc/91/23/01/538912301.db2.gz MPNCLPYWFMOWSF-GXTWGEPZSA-N 1 0 221.344 2.398 10 0 BEAERO CC(C)c1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685965887 538912553 /nfs/dbraw/zinc/91/25/53/538912553.db2.gz XXUKHTJOCHAUOP-UONOGXRCSA-N 1 0 218.344 2.214 10 0 BEAERO Cc1cc(C)nc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000129751480 177947164 /nfs/dbraw/zinc/94/71/64/177947164.db2.gz ADWMHJVGKQMHBN-GWCFXTLKSA-N 1 0 248.374 2.234 10 0 BEAERO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000378702238 346811753 /nfs/dbraw/zinc/81/17/53/346811753.db2.gz OAPAHUVOGYRYCU-IJLUTSLNSA-N 1 0 229.364 2.083 10 0 BEAERO CCCC1=C(OC)S[C@](CC[NH3+])(OC)C1 ZINC000071186558 398144950 /nfs/dbraw/zinc/14/49/50/398144950.db2.gz UESSQUKHOUWMAP-NSHDSACASA-N 1 0 231.361 2.473 10 0 BEAERO CCC(CC)(CO)C[N@H+](C)Cc1cccnc1 ZINC000051293473 168326364 /nfs/dbraw/zinc/32/63/64/168326364.db2.gz AVCIDJLCZZQVAQ-UHFFFAOYSA-N 1 0 236.359 2.312 10 0 BEAERO Cc1cc(C[NH3+])sc1Br ZINC000082389277 177984599 /nfs/dbraw/zinc/98/45/99/177984599.db2.gz IRYXCFBETHAWIL-UHFFFAOYSA-N 1 0 206.108 2.278 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000378723133 346813428 /nfs/dbraw/zinc/81/34/28/346813428.db2.gz HHIZOWXTDJUOCX-TUAOUCFPSA-N 1 0 209.333 2.070 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000161608861 349484539 /nfs/dbraw/zinc/48/45/39/349484539.db2.gz KJLXIKYSJPOJOL-NSHDSACASA-N 1 0 223.291 2.030 10 0 BEAERO CCC(CC)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123945758 168332248 /nfs/dbraw/zinc/33/22/48/168332248.db2.gz ZURSWHXKURYECB-DGCLKSJQSA-N 1 0 240.391 2.364 10 0 BEAERO CC(C)C[C@H]1CNC(C)(C)C[N@@H+]1C(C)C ZINC000062570982 187323632 /nfs/dbraw/zinc/32/36/32/187323632.db2.gz TWTUHROCMNBEGA-LBPRGKRZSA-N 1 0 212.381 2.493 10 0 BEAERO COCc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)o1 ZINC000125428013 398151855 /nfs/dbraw/zinc/15/18/55/398151855.db2.gz FBJBZWBMGYOEAL-MFKMUULPSA-N 1 0 239.315 2.083 10 0 BEAERO Cc1cc(C[NH2+]CCN2CCCC2)cc(C)c1O ZINC000020305667 178020535 /nfs/dbraw/zinc/02/05/35/178020535.db2.gz FQVDTNPXZGUMGS-UHFFFAOYSA-N 1 0 248.370 2.194 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCCOC2)cc(C)c1O ZINC000109544499 178032612 /nfs/dbraw/zinc/03/26/12/178032612.db2.gz TTZWTNQWZUMWLX-CYBMUJFWSA-N 1 0 235.327 2.278 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)nc(C)n1 ZINC000309738698 178032813 /nfs/dbraw/zinc/03/28/13/178032813.db2.gz CXQHMQYJSPQRDS-TVQRCGJNSA-N 1 0 219.332 2.372 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CC2(C)C)ccc1N ZINC000045137691 178034023 /nfs/dbraw/zinc/03/40/23/178034023.db2.gz WODMZYCSVSSAJQ-GFCCVEGCSA-N 1 0 204.317 2.465 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C)nc(C)n1 ZINC000309738696 178040535 /nfs/dbraw/zinc/04/05/35/178040535.db2.gz CXQHMQYJSPQRDS-RNCFNFMXSA-N 1 0 219.332 2.372 10 0 BEAERO C[C@H](c1ccsc1)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000307570167 398176090 /nfs/dbraw/zinc/17/60/90/398176090.db2.gz YYQGSGGXIDHRDJ-WCABBAIRSA-N 1 0 210.346 2.231 10 0 BEAERO CCC[C@@H]1C[C@@H]1Nc1ncnc(N)c1Cl ZINC000277958957 398179769 /nfs/dbraw/zinc/17/97/69/398179769.db2.gz YEIQNCNOAISTEW-RQJHMYQMSA-N 1 0 226.711 2.313 10 0 BEAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2ccsc2)n1 ZINC000054835502 178053172 /nfs/dbraw/zinc/05/31/72/178053172.db2.gz BZEDRMDUOZPQGB-MRVPVSSYSA-N 1 0 233.340 2.403 10 0 BEAERO Cc1cc(Cn2cc[nH+]c2N)c(C)s1 ZINC000049685562 178074014 /nfs/dbraw/zinc/07/40/14/178074014.db2.gz WTVBFWSCMXDKHY-UHFFFAOYSA-N 1 0 207.302 2.192 10 0 BEAERO Cc1cc(C[C@H](C)[NH3+])nc(-c2cccs2)n1 ZINC000054835389 178057124 /nfs/dbraw/zinc/05/71/24/178057124.db2.gz FETZYYSWSVVULO-QMMMGPOBSA-N 1 0 233.340 2.403 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000385429748 398161260 /nfs/dbraw/zinc/16/12/60/398161260.db2.gz IICWEOFRFWFQHF-MNOVXSKESA-N 1 0 226.364 2.007 10 0 BEAERO Cc1cc(Cl)ccc1N1CC[C@H]([NH3+])C1 ZINC000033427015 178068076 /nfs/dbraw/zinc/06/80/76/178068076.db2.gz FMVOQJMYGPZSJX-JTQLQIEISA-N 1 0 210.708 2.186 10 0 BEAERO Cc1cc(Cl)ccc1OCCC(N)=[NH2+] ZINC000019430483 178068714 /nfs/dbraw/zinc/06/87/14/178068714.db2.gz SQSRQKYQTIETJD-UHFFFAOYSA-N 1 0 212.680 2.353 10 0 BEAERO Cc1cc(Cl)cn2c([C@@H](C)[NH3+])cnc12 ZINC000082693420 178070383 /nfs/dbraw/zinc/07/03/83/178070383.db2.gz MSOYQBWXIFNSPW-SSDOTTSWSA-N 1 0 209.680 2.316 10 0 BEAERO Cc1cc(Cl)nc(S[C@@H]2CCC[NH2+]C2)n1 ZINC000095069420 178071595 /nfs/dbraw/zinc/07/15/95/178071595.db2.gz SHEVEBDNEPUHTN-MRVPVSSYSA-N 1 0 243.763 2.283 10 0 BEAERO Cc1cc(F)ccc1NC(=O)[C@](C)([NH3+])C1CC1 ZINC000037614334 178089198 /nfs/dbraw/zinc/08/91/98/178089198.db2.gz FLPIGJGZORMLDW-CYBMUJFWSA-N 1 0 236.290 2.200 10 0 BEAERO COCc1nc(C[NH2+]CCCCF)cs1 ZINC000380249484 398190831 /nfs/dbraw/zinc/19/08/31/398190831.db2.gz OXBBMTPVIMMSTL-UHFFFAOYSA-N 1 0 232.324 2.129 10 0 BEAERO Cc1cc(N(C)C)ccc1NC1CC[NH2+]CC1 ZINC000038040929 178095114 /nfs/dbraw/zinc/09/51/14/178095114.db2.gz AJNWKRYVCWKJLV-UHFFFAOYSA-N 1 0 233.359 2.225 10 0 BEAERO Cc1cc(N(C)C2CCCC2)[nH+]cc1N ZINC000077299082 178096555 /nfs/dbraw/zinc/09/65/55/178096555.db2.gz SYJWLZIFUSTCPW-UHFFFAOYSA-N 1 0 205.305 2.351 10 0 BEAERO Cc1ccoc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000093437592 398194304 /nfs/dbraw/zinc/19/43/04/398194304.db2.gz KEWNWTKCJCKRSC-QWHCGFSZSA-N 1 0 234.343 2.257 10 0 BEAERO CC1(C)CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000380075736 488171242 /nfs/dbraw/zinc/17/12/42/488171242.db2.gz JQPGCIYRTHZNSU-NWDGAFQWSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1cc(N)c(OCCC[NH+](C)C)cc1C ZINC000041241514 178104141 /nfs/dbraw/zinc/10/41/41/178104141.db2.gz NKWWQNCLXQTWPK-UHFFFAOYSA-N 1 0 222.332 2.216 10 0 BEAERO Cc1cc(N)ccc1NCC[NH+]1CCCC1 ZINC000054112196 178104893 /nfs/dbraw/zinc/10/48/93/178104893.db2.gz ABGUQFWGDVWJEN-UHFFFAOYSA-N 1 0 219.332 2.085 10 0 BEAERO Cc1cc(N)ccc1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000037909681 178106121 /nfs/dbraw/zinc/10/61/21/178106121.db2.gz DIGZPIWTUCIOTM-NSHDSACASA-N 1 0 247.342 2.000 10 0 BEAERO Cc1cc(N)ccc1N[C@H]1CCC[N@@H+](C)C1 ZINC000040715753 178107204 /nfs/dbraw/zinc/10/72/04/178107204.db2.gz ATOGJYHWTNXAAA-LBPRGKRZSA-N 1 0 219.332 2.083 10 0 BEAERO Cc1cc(N)ccc1N[C@@H](C)C[NH+]1CCCC1 ZINC000042598597 178107221 /nfs/dbraw/zinc/10/72/21/178107221.db2.gz GPYCTQCBCVECBZ-LBPRGKRZSA-N 1 0 233.359 2.473 10 0 BEAERO Cc1cc(N)ccc1S[C@H]1CC[NH2+]C1 ZINC000051784218 178108136 /nfs/dbraw/zinc/10/81/36/178108136.db2.gz ZBXHDZIOSMIMGI-JTQLQIEISA-N 1 0 208.330 2.031 10 0 BEAERO O[C@@H]1CC[C@@H]2C[C@H]2CC[C@H]1[NH+]1CCCC1 ZINC000536954344 398198003 /nfs/dbraw/zinc/19/80/03/398198003.db2.gz LAQXGQSERUXIJY-FDYHWXHSSA-N 1 0 209.333 2.022 10 0 BEAERO Cc1cc(N2CCC[C@@H]2C[NH+](C)C)ccc1N ZINC000061642914 178113890 /nfs/dbraw/zinc/11/38/90/178113890.db2.gz WPJVNSMEJLHJSS-CYBMUJFWSA-N 1 0 233.359 2.108 10 0 BEAERO CC1(C)CCO[C@](C)(C(F)(F)F)C[NH2+]1 ZINC000306465041 398201445 /nfs/dbraw/zinc/20/14/45/398201445.db2.gz JPTWIPZKDYNQCN-QMMMGPOBSA-N 1 0 211.227 2.096 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616612387 349517573 /nfs/dbraw/zinc/51/75/73/349517573.db2.gz DGNRVJAWBQGUPF-CYBMUJFWSA-N 1 0 227.311 2.439 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)CC=C(C)C ZINC000175357300 365547114 /nfs/dbraw/zinc/54/71/14/365547114.db2.gz FHOUQNTUHCDLIB-ZDUSSCGKSA-N 1 0 210.365 2.369 10 0 BEAERO Cc1cc(NC(=O)C[C@@H]([NH3+])c2ccccc2)no1 ZINC000019518451 178132102 /nfs/dbraw/zinc/13/21/02/178132102.db2.gz IXPLDBYLSNQBHA-LLVKDONJSA-N 1 0 245.282 2.012 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000380774518 398207851 /nfs/dbraw/zinc/20/78/51/398207851.db2.gz ZSFGUHZPQBMSPA-NEPJUHHUSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]([NH3+])CNc1nccc2ccsc21 ZINC000306590085 398214830 /nfs/dbraw/zinc/21/48/30/398214830.db2.gz XNOXYDCBJTXGBO-ZETCQYMHSA-N 1 0 207.302 2.055 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000638997600 398219103 /nfs/dbraw/zinc/21/91/03/398219103.db2.gz RFKJQJHMLWPINZ-WZRBSPASSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CC12CCCCC2 ZINC000387103814 398225891 /nfs/dbraw/zinc/22/58/91/398225891.db2.gz GAOBDLHOCCBOGY-NWDGAFQWSA-N 1 0 238.375 2.199 10 0 BEAERO Cc1cc(N[C@H](C)C[NH+]2CCCC2)ccc1N ZINC000042598630 178186096 /nfs/dbraw/zinc/18/60/96/178186096.db2.gz NHZHXDSIWOAVRM-GFCCVEGCSA-N 1 0 233.359 2.473 10 0 BEAERO Cc1cc(Oc2cccc(CC[NH3+])c2)ncn1 ZINC000011849411 178214716 /nfs/dbraw/zinc/21/47/16/178214716.db2.gz TVCDCGUMXBUFFF-UHFFFAOYSA-N 1 0 229.283 2.079 10 0 BEAERO Cc1cc(Oc2cccc(C[C@@H](C)[NH3+])c2)ncn1 ZINC000011849412 178214027 /nfs/dbraw/zinc/21/40/27/178214027.db2.gz PPNBZKFIMHQRGB-SNVBAGLBSA-N 1 0 243.310 2.467 10 0 BEAERO Cc1cc(Oc2ccc(C[C@@H](C)[NH3+])cc2)ncn1 ZINC000011849415 178214057 /nfs/dbraw/zinc/21/40/57/178214057.db2.gz KROCRTNVWDZNAW-SNVBAGLBSA-N 1 0 243.310 2.467 10 0 BEAERO Cc1cc(OCCOCC[NH3+])cc(C)c1Cl ZINC000020221459 178210714 /nfs/dbraw/zinc/21/07/14/178210714.db2.gz RGMGAJXMFNWNPQ-UHFFFAOYSA-N 1 0 243.734 2.311 10 0 BEAERO Cc1cc(OCCOCC[NH3+])ccc1C(C)C ZINC000020221453 178211534 /nfs/dbraw/zinc/21/15/34/178211534.db2.gz RYEDIHXVZWFDKX-UHFFFAOYSA-N 1 0 237.343 2.473 10 0 BEAERO Cc1cc(OCCOCC[NH3+])ccc1Cl ZINC000020221451 178211564 /nfs/dbraw/zinc/21/15/64/178211564.db2.gz CEGPXIRHZPGNKC-UHFFFAOYSA-N 1 0 229.707 2.003 10 0 BEAERO Cc1cc(SCC[C@@H]2CCCC[NH2+]2)n(C)n1 ZINC000052311697 178218115 /nfs/dbraw/zinc/21/81/15/178218115.db2.gz FRNJNFGAYHBGQX-NSHDSACASA-N 1 0 239.388 2.353 10 0 BEAERO Cc1cc(S[C@@H](C[NH3+])C(C)(C)C)n(C)n1 ZINC000052309184 178219256 /nfs/dbraw/zinc/21/92/56/178219256.db2.gz GFWZKBUAAIOUHO-VIFPVBQESA-N 1 0 227.377 2.194 10 0 BEAERO Cc1cc(S[C@@H](C[NH3+])c2ccco2)n(C)n1 ZINC000052309528 178219618 /nfs/dbraw/zinc/21/96/18/178219618.db2.gz GUVAOQNAXYMWEJ-JTQLQIEISA-N 1 0 237.328 2.114 10 0 BEAERO C[C@H]1CCSCC[N@@H+]1C1CCC(=O)CC1 ZINC000306642808 361773052 /nfs/dbraw/zinc/77/30/52/361773052.db2.gz UVLMQAAPDMOUCE-JTQLQIEISA-N 1 0 227.373 2.326 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)no1 ZINC000336729023 178226160 /nfs/dbraw/zinc/22/61/60/178226160.db2.gz CWYAZLOSGFIYCG-MWLCHTKSSA-N 1 0 226.320 2.041 10 0 BEAERO Cc1cc([C@@H]([NH3+])C2CCOCC2)c(C)o1 ZINC000061672225 178235941 /nfs/dbraw/zinc/23/59/41/178235941.db2.gz OOPINVVERLNYOS-LBPRGKRZSA-N 1 0 209.289 2.323 10 0 BEAERO Cc1cc([C@@H](O)CC[NH+](C)C)ccc1F ZINC000041144885 178237665 /nfs/dbraw/zinc/23/76/65/178237665.db2.gz DPYGIFMTIAXILC-LBPRGKRZSA-N 1 0 211.280 2.119 10 0 BEAERO Cc1cc([C@@H](O)C[NH2+]C2CC2)c(C)s1 ZINC000055029446 178238523 /nfs/dbraw/zinc/23/85/23/178238523.db2.gz KDNKLSXMDJRNEG-NSHDSACASA-N 1 0 211.330 2.150 10 0 BEAERO Cc1cc([C@@](C)(O)C[NH2+]C(C)C)ccc1F ZINC000032015061 178242244 /nfs/dbraw/zinc/24/22/44/178242244.db2.gz DYZIUBINAFEKQC-ZDUSSCGKSA-N 1 0 225.307 2.340 10 0 BEAERO CCCC[C@@H](CC)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000165248644 538935335 /nfs/dbraw/zinc/93/53/35/538935335.db2.gz DCHIGLLCJLLKKM-KGLIPLIRSA-N 1 0 242.407 2.266 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2O)c(C)o1 ZINC000044730414 178253452 /nfs/dbraw/zinc/25/34/52/178253452.db2.gz LUNNIHKRUDAQJS-BIMULSAOSA-N 1 0 223.316 2.460 10 0 BEAERO Cc1cc([C@H](O)C2CC[NH2+]CC2)ccc1F ZINC000011630790 178263771 /nfs/dbraw/zinc/26/37/71/178263771.db2.gz QHFGISNAURARAG-CYBMUJFWSA-N 1 0 223.291 2.167 10 0 BEAERO Cc1cc([C@H](O)CC[NH+](C)C)ccc1F ZINC000041144884 178263984 /nfs/dbraw/zinc/26/39/84/178263984.db2.gz DPYGIFMTIAXILC-GFCCVEGCSA-N 1 0 211.280 2.119 10 0 BEAERO Cc1cc([C@H](O)C[NH2+]C(C)C)c(C)s1 ZINC000055028971 178264473 /nfs/dbraw/zinc/26/44/73/178264473.db2.gz OQALPAVFFBKROV-LLVKDONJSA-N 1 0 213.346 2.396 10 0 BEAERO Cc1cc([C@H](O)C[NH+](C)C)cc(C)c1C ZINC000039105612 178264507 /nfs/dbraw/zinc/26/45/07/178264507.db2.gz USEIMAMIUVJLTR-CYBMUJFWSA-N 1 0 207.317 2.207 10 0 BEAERO Fc1ccc(NC2=[NH+]CCN2)cc1C(F)(F)F ZINC000166048528 538938920 /nfs/dbraw/zinc/93/89/20/538938920.db2.gz JOSBBURHRJHICG-UHFFFAOYSA-N 1 0 247.195 2.216 10 0 BEAERO Cc1cc2c(cc1C)[S@](=O)CCC[C@H]2[NH3+] ZINC000040975000 178287442 /nfs/dbraw/zinc/28/74/42/178287442.db2.gz WONRZYBSIWCUNT-ABAIWWIYSA-N 1 0 223.341 2.205 10 0 BEAERO CC1(C)C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCS1 ZINC000381271673 398249803 /nfs/dbraw/zinc/24/98/03/398249803.db2.gz VSRGFCXRCDNZIB-NWDGAFQWSA-N 1 0 243.416 2.365 10 0 BEAERO Cc1cc[n+](Cc2nc3ccccc3[nH]2)cc1 ZINC000005285877 178308890 /nfs/dbraw/zinc/30/88/90/178308890.db2.gz KAZZBYITLSDURX-UHFFFAOYSA-N 1 0 224.287 2.207 10 0 BEAERO Cc1ccc(-c2n[nH]cc2C[NH3+])c(C)c1 ZINC000074211675 178316447 /nfs/dbraw/zinc/31/64/47/178316447.db2.gz FHGOCZCJJJPOLL-UHFFFAOYSA-N 1 0 201.273 2.152 10 0 BEAERO Cc1ccc(-c2c[nH]c(CC[NH3+])n2)cc1C ZINC000036876258 178317782 /nfs/dbraw/zinc/31/77/82/178317782.db2.gz SJCVSFKFTBMTLL-UHFFFAOYSA-N 1 0 215.300 2.195 10 0 BEAERO Cc1ccc(-c2c[nH]c(CC[NH3+])n2)c(C)c1 ZINC000036876297 178317963 /nfs/dbraw/zinc/31/79/63/178317963.db2.gz LQQUVHCZWWIWAA-UHFFFAOYSA-N 1 0 215.300 2.195 10 0 BEAERO Cc1ccc(-c2nc(C)cc(CC[NH3+])n2)cc1 ZINC000020384360 178333324 /nfs/dbraw/zinc/33/33/24/178333324.db2.gz KXMDVEPICFHZOK-UHFFFAOYSA-N 1 0 227.311 2.262 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)C[NH3+])no2)s1 ZINC000054158825 178336313 /nfs/dbraw/zinc/33/63/13/178336313.db2.gz REYQLSWFANVPCD-LURJTMIESA-N 1 0 223.301 2.169 10 0 BEAERO Cc1ccc(-c2ncc(C[C@H](C)[NH3+])cn2)cc1 ZINC000054857674 178338853 /nfs/dbraw/zinc/33/88/53/178338853.db2.gz HFRBDQBJERLYLO-NSHDSACASA-N 1 0 227.311 2.342 10 0 BEAERO Cc1ccc(-c2nnc(CCC[NH3+])o2)cc1C ZINC000011585940 178339408 /nfs/dbraw/zinc/33/94/08/178339408.db2.gz MCVXXQAAIXCFKY-UHFFFAOYSA-N 1 0 231.299 2.245 10 0 BEAERO CCC(CC)N(C)[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053491762 168368387 /nfs/dbraw/zinc/36/83/87/168368387.db2.gz ZRGSDEAEFLPKGQ-OCCSQVGLSA-N 1 0 242.407 2.264 10 0 BEAERO Cc1ccc(-c2nnc(CC[NH3+])s2)cc1 ZINC000040541843 178340574 /nfs/dbraw/zinc/34/05/74/178340574.db2.gz VCNIZRRKNMWMJD-UHFFFAOYSA-N 1 0 219.313 2.015 10 0 BEAERO C[C@H]1CCC[C@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000383871828 398258798 /nfs/dbraw/zinc/25/87/98/398258798.db2.gz HXNNPKXASTWRBZ-QWRGUYRKSA-N 1 0 236.363 2.298 10 0 BEAERO CC1(C)C[NH2+]CCN1C[C@H]1CCCCC1(F)F ZINC000381585508 398254375 /nfs/dbraw/zinc/25/43/75/398254375.db2.gz CMPHVQGHSMXBDJ-LLVKDONJSA-N 1 0 246.345 2.496 10 0 BEAERO FC1(F)CCCC[C@H]1CN1CCC[NH2+]CC1 ZINC000381729043 398254677 /nfs/dbraw/zinc/25/46/77/398254677.db2.gz SLDWPTHUWFQBKQ-NSHDSACASA-N 1 0 232.318 2.107 10 0 BEAERO Cc1ccc(-c2c[nH]c(C[C@H](C)[NH3+])n2)cc1 ZINC000037476854 178329452 /nfs/dbraw/zinc/32/94/52/178329452.db2.gz ATXIBOZAMPGBEA-JTQLQIEISA-N 1 0 215.300 2.275 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000378731041 346819826 /nfs/dbraw/zinc/81/98/26/346819826.db2.gz KYFMGGLIJGEMNS-FQUUOJAGSA-N 1 0 223.360 2.482 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)[C@H](C)C[NH2+]1 ZINC000381580607 398264795 /nfs/dbraw/zinc/26/47/95/398264795.db2.gz BNNMUWSWQHFDKU-UTUOFQBUSA-N 1 0 246.345 2.494 10 0 BEAERO [NH3+][C@@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381590590 398265454 /nfs/dbraw/zinc/26/54/54/398265454.db2.gz LITLLXCFUNTQPF-GHMZBOCLSA-N 1 0 232.318 2.235 10 0 BEAERO C[C@H]1CN(C[C@H]2CCCCC2(F)F)CC[NH2+]1 ZINC000381600489 398266430 /nfs/dbraw/zinc/26/64/30/398266430.db2.gz GHSQGFFJBANONJ-WDEREUQCSA-N 1 0 232.318 2.106 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(F)(F)F ZINC000083119706 349571192 /nfs/dbraw/zinc/57/11/92/349571192.db2.gz KPQIKPDGFIVDMK-NXEZZACHSA-N 1 0 236.281 2.107 10 0 BEAERO Cc1ccc(C(N)=[NH2+])c(NC(C)(C)C)c1 ZINC000051580133 178369208 /nfs/dbraw/zinc/36/92/08/178369208.db2.gz DLBPLQNYSNYPAL-UHFFFAOYSA-N 1 0 205.305 2.489 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2cccnn2)CC1 ZINC000616612473 349559888 /nfs/dbraw/zinc/55/98/88/349559888.db2.gz VKLQAJOBEIEWIS-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO CN(C[C@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000381689950 398269629 /nfs/dbraw/zinc/26/96/29/398269629.db2.gz NIWPMTUNWILPLW-GHMZBOCLSA-N 1 0 232.318 2.106 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2ccc3cccnc3c2)C1 ZINC000616612972 349590505 /nfs/dbraw/zinc/59/05/05/349590505.db2.gz FASRUBBMZDKINN-AWEZNQCLSA-N 1 0 242.322 2.016 10 0 BEAERO C[N@@H+]1CC[C@@H](c2cccc3ccnnc32)C1 ZINC000616613083 349587906 /nfs/dbraw/zinc/58/79/06/349587906.db2.gz KWQPWUIWYBPCMN-LLVKDONJSA-N 1 0 213.284 2.049 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2ccc3ncccc3c2)C1 ZINC000616612926 349604500 /nfs/dbraw/zinc/60/45/00/349604500.db2.gz AUZQHYXRBWSPIZ-AWEZNQCLSA-N 1 0 242.322 2.016 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000309580553 342685405 /nfs/dbraw/zinc/68/54/05/342685405.db2.gz QFBYFRUAMGIEPK-JOYOIKCWSA-N 1 0 233.336 2.372 10 0 BEAERO CCOC1(C[NH2+][C@@H]2CCCC[C@H]2O)CCCC1 ZINC000378899366 346856227 /nfs/dbraw/zinc/85/62/27/346856227.db2.gz GJTSIMRQVRCADZ-CHWSQXEVSA-N 1 0 241.375 2.229 10 0 BEAERO CC(C)(C)c1cccc2c1O[C@H](C[NH3+])C2 ZINC000166258911 361849278 /nfs/dbraw/zinc/84/92/78/361849278.db2.gz MRHDTXFHCORVDS-JTQLQIEISA-N 1 0 205.301 2.246 10 0 BEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)CC ZINC000034938613 168381173 /nfs/dbraw/zinc/38/11/73/168381173.db2.gz JDDZJXMGOCZKMU-NXEZZACHSA-N 1 0 214.353 2.068 10 0 BEAERO C[C@@H](CO)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000678044811 488179549 /nfs/dbraw/zinc/17/95/49/488179549.db2.gz HDAOWXBDVBECQY-MNOVXSKESA-N 1 0 240.372 2.299 10 0 BEAERO CCc1c(C)[nH]c2c1C(=O)[C@@H]1C[N@H+](C)CC[C@H]1C2 ZINC000004217315 342744666 /nfs/dbraw/zinc/74/46/66/342744666.db2.gz PVZMYDPRVUCJKV-CMPLNLGQSA-N 1 0 246.354 2.192 10 0 in-man BEAERO CCOC(=O)C[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000057353618 342722933 /nfs/dbraw/zinc/72/29/33/342722933.db2.gz CSUYOEYPRWVGSU-SECBINFHSA-N 1 0 245.681 2.432 10 0 BEAERO Cc1ccc(C)c(NC(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000335128647 398280352 /nfs/dbraw/zinc/28/03/52/398280352.db2.gz UEGMAPYJMKJYBU-LBPRGKRZSA-N 1 0 247.342 2.129 10 0 BEAERO C[NH+](C)[C@@H]1CCc2[nH]c3ccc(O)cc3c2C1 ZINC000003649999 342735904 /nfs/dbraw/zinc/73/59/04/342735904.db2.gz ZQUXUQXIXIVEQA-SECBINFHSA-N 1 0 230.311 2.292 10 0 BEAERO CC[C@H]([NH2+]CC(C)(C)C(=O)OC)[C@@H]1C[C@H]1C ZINC000321047319 342749959 /nfs/dbraw/zinc/74/99/59/342749959.db2.gz GDSZGOUQRVGHGI-MXWKQRLJSA-N 1 0 227.348 2.210 10 0 BEAERO CCOc1ccc(C[C@@H]2CCC[NH2+]2)cc1 ZINC000003732343 342737194 /nfs/dbraw/zinc/73/71/94/342737194.db2.gz ZVBCRDDHKHKFOT-LBPRGKRZSA-N 1 0 205.301 2.380 10 0 BEAERO C[NH+](C)CC1=Cc2ccc(N)cc2CC1 ZINC000145064245 342757225 /nfs/dbraw/zinc/75/72/25/342757225.db2.gz TWPLWCXWCQSEAX-UHFFFAOYSA-N 1 0 202.301 2.160 10 0 BEAERO CC(=O)c1ccc(-c2cc(N)[nH+]c(N)c2)cc1 ZINC000145722017 342761948 /nfs/dbraw/zinc/76/19/48/342761948.db2.gz DWNXWIJFXYBINW-UHFFFAOYSA-N 1 0 227.267 2.116 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccccc1F ZINC000054685619 398282721 /nfs/dbraw/zinc/28/27/21/398282721.db2.gz PTSPOEKBGCZRTF-GJZGRUSLSA-N 1 0 245.297 2.429 10 0 BEAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])s1 ZINC000038049449 178432386 /nfs/dbraw/zinc/43/23/86/178432386.db2.gz GXTRXINQCJXZEV-ZJUUUORDSA-N 1 0 238.356 2.056 10 0 BEAERO CCC(CC)[NH2+]C[C@H](C)N1CCC(OC)CC1 ZINC000053490619 168388479 /nfs/dbraw/zinc/38/84/79/168388479.db2.gz TWDRXVSDNYNZBL-LBPRGKRZSA-N 1 0 242.407 2.264 10 0 BEAERO CNc1cc[nH+]cc1C(=O)NCc1ccccc1 ZINC000126886761 342800691 /nfs/dbraw/zinc/80/06/91/342800691.db2.gz ABVUSDTVCXMMFK-UHFFFAOYSA-N 1 0 241.294 2.053 10 0 BEAERO CC[C@H]1C[C@@]1([NH3+])c1cccc(-n2cccn2)c1 ZINC000147697747 342779611 /nfs/dbraw/zinc/77/96/11/342779611.db2.gz VTOJIHOHIGHWJD-FZMZJTMJSA-N 1 0 227.311 2.456 10 0 BEAERO COc1ccc2c(c1)C[C@H]([NH+](C)C)CC2 ZINC000147855770 342781920 /nfs/dbraw/zinc/78/19/20/342781920.db2.gz YQMXEURRBLAWHL-GFCCVEGCSA-N 1 0 205.301 2.114 10 0 BEAERO CCC(CC)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000308905639 168391355 /nfs/dbraw/zinc/39/13/55/168391355.db2.gz CKPMHOVWQJNDKM-SNVBAGLBSA-N 1 0 207.321 2.045 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccccc1 ZINC000040671835 538972316 /nfs/dbraw/zinc/97/23/16/538972316.db2.gz HGSLDUOYXCJEAV-GXTWGEPZSA-N 1 0 218.344 2.431 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCCN(C)C1 ZINC000040671756 538972499 /nfs/dbraw/zinc/97/24/99/538972499.db2.gz DXYBSYLULHJDAO-JHJVBQTASA-N 1 0 224.392 2.495 10 0 BEAERO CC1(C)C[N@@H+]([C@H]2CCOC2)CC2(CCCC2)O1 ZINC000336437655 342805804 /nfs/dbraw/zinc/80/58/04/342805804.db2.gz RWXDKTREKOYLFN-LBPRGKRZSA-N 1 0 239.359 2.199 10 0 BEAERO C[NH2+]C1(C)CCN(C/C(C)=C\Cl)CC1 ZINC000308474252 342829876 /nfs/dbraw/zinc/82/98/76/342829876.db2.gz RLFNAUAOSXPKRP-NTMALXAHSA-N 1 0 216.756 2.203 10 0 BEAERO Cc1c(C[NH2+][C@@H]2CCC(F)(F)C2)cnn1C ZINC000381021540 538994111 /nfs/dbraw/zinc/99/41/11/538994111.db2.gz AGTPGHJJKFWNSU-SNVBAGLBSA-N 1 0 229.274 2.006 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000380010951 538983560 /nfs/dbraw/zinc/98/35/60/538983560.db2.gz RNXLISUALQCPFM-NDBYEHHHSA-N 1 0 210.365 2.105 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc(Cl)cn2)C1 ZINC000381466787 539001359 /nfs/dbraw/zinc/00/13/59/539001359.db2.gz MTOCUOPYIYLJQA-GXSJLCMTSA-N 1 0 239.750 2.487 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000381542369 539003844 /nfs/dbraw/zinc/00/38/44/539003844.db2.gz IOINEUWCAHTRMP-HBNTYKKESA-N 1 0 239.388 2.134 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000381739411 539006575 /nfs/dbraw/zinc/00/65/75/539006575.db2.gz ORCCGOZKFQTYCP-QJPTWQEYSA-N 1 0 222.332 2.270 10 0 BEAERO CCC(CC)[C@@H](CN)[N@H+](CCOC)CC(C)C ZINC000042368149 168399560 /nfs/dbraw/zinc/39/95/60/168399560.db2.gz DCOLHDHBBZLFSB-CQSZACIVSA-N 1 0 244.423 2.354 10 0 BEAERO Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCCO2)no1 ZINC000381436344 539000678 /nfs/dbraw/zinc/00/06/78/539000678.db2.gz CSTAMSCBWHAZNP-QWRGUYRKSA-N 1 0 224.304 2.203 10 0 BEAERO CC[C@](C)(OC)[C@@H]1[NH2+]CCc2occc21 ZINC000709945848 539027862 /nfs/dbraw/zinc/02/78/62/539027862.db2.gz WWXKPCBQSXIIAK-NEPJUHHUSA-N 1 0 209.289 2.282 10 0 BEAERO Cc1ccncc1N[C@H](C)[C@H]1CCCO1 ZINC000389730151 539017704 /nfs/dbraw/zinc/01/77/04/539017704.db2.gz SDLBURFQTXHFDD-ZYHUDNBSSA-N 1 0 206.289 2.369 10 0 BEAERO CC(C)(C)OC(=O)NC1(C(N)=[NH2+])CCCCC1 ZINC000042457964 362001918 /nfs/dbraw/zinc/00/19/18/362001918.db2.gz DAVSRQLNFNIGAO-UHFFFAOYSA-N 1 0 241.335 2.150 10 0 BEAERO CCN(CC)c1c(N)c[nH+]cc1Br ZINC000233447247 342862134 /nfs/dbraw/zinc/86/21/34/342862134.db2.gz OWOZUUFBWURLCA-UHFFFAOYSA-N 1 0 244.136 2.273 10 0 BEAERO CCN(CC[NH3+])C[C@H]1CCCCC1(F)F ZINC000382053280 398303036 /nfs/dbraw/zinc/30/30/36/398303036.db2.gz NKJFBOQOBKHIHM-SNVBAGLBSA-N 1 0 220.307 2.093 10 0 BEAERO [NH3+][C@@H]1CSC[C@@H]1CCc1cccs1 ZINC000134580979 342871010 /nfs/dbraw/zinc/87/10/10/342871010.db2.gz DASALCBFLQZAOG-WCBMZHEXSA-N 1 0 213.371 2.371 10 0 BEAERO O=C(c1sccc1Cl)[C@H]1CC[NH2+]C1 ZINC000229956940 342860120 /nfs/dbraw/zinc/86/01/20/342860120.db2.gz YOYNWSCFLXVJQI-LURJTMIESA-N 1 0 215.705 2.194 10 0 BEAERO O=C(c1sccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000229956933 342860151 /nfs/dbraw/zinc/86/01/51/342860151.db2.gz YOYNWSCFLXVJQI-ZCFIWIBFSA-N 1 0 215.705 2.194 10 0 BEAERO CC(C)([NH3+])C(=O)c1sccc1Cl ZINC000229956575 342860281 /nfs/dbraw/zinc/86/02/81/342860281.db2.gz VINFRIPXGQDPOT-UHFFFAOYSA-N 1 0 203.694 2.322 10 0 BEAERO CSc1ccc(Br)cc1C(N)=[NH2+] ZINC000165286654 342896574 /nfs/dbraw/zinc/89/65/74/342896574.db2.gz CFIREKPJOOLEMA-UHFFFAOYSA-N 1 0 245.145 2.455 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000167287515 136245317 /nfs/dbraw/zinc/24/53/17/136245317.db2.gz ZFAHJWKTXXWQGU-RJQCTPFPSA-N 1 0 237.265 2.220 10 0 BEAERO Cc1ccsc1[C@H](CO)[NH2+]CC(C)C ZINC000041675029 398320868 /nfs/dbraw/zinc/32/08/68/398320868.db2.gz UFZUGDBHNHVTQB-JTQLQIEISA-N 1 0 213.346 2.336 10 0 BEAERO CC[C@@](C)([NH3+])c1nc(C)ncc1Br ZINC000306162350 398322765 /nfs/dbraw/zinc/32/27/65/398322765.db2.gz MZKUPEWCVXRALZ-SECBINFHSA-N 1 0 244.136 2.131 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCN1C ZINC000134844373 342901172 /nfs/dbraw/zinc/90/11/72/342901172.db2.gz YGQYWGSFXQSUSW-MCIONIFRSA-N 1 0 224.392 2.497 10 0 BEAERO CC[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000037166983 342923348 /nfs/dbraw/zinc/92/33/48/342923348.db2.gz SKBSNWBPKVXLIG-VXGBXAGGSA-N 1 0 200.370 2.351 10 0 BEAERO CC(C)[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000177062068 534926673 /nfs/dbraw/zinc/92/66/73/534926673.db2.gz DGCQFKRURZBIBG-AVGNSLFASA-N 1 0 240.391 2.123 10 0 BEAERO COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000351729051 136249894 /nfs/dbraw/zinc/24/98/94/136249894.db2.gz CDHKORLCDUSSJI-WOPDTQHZSA-N 1 0 225.332 2.058 10 0 BEAERO CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246389645 398330909 /nfs/dbraw/zinc/33/09/09/398330909.db2.gz ATFICSAHQJDBCD-STQMWFEESA-N 1 0 211.349 2.414 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)C ZINC000042975096 398331590 /nfs/dbraw/zinc/33/15/90/398331590.db2.gz UXYJAUSHLNYSMD-KCJUWKMLSA-N 1 0 212.724 2.290 10 0 BEAERO [NH3+]C1CCC(C(=O)NCC2CCCCC2)CC1 ZINC000037626150 398333304 /nfs/dbraw/zinc/33/33/04/398333304.db2.gz HRFCDUJPCMTWFO-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO CC(C)CCN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000037817878 398334575 /nfs/dbraw/zinc/33/45/75/398334575.db2.gz QQOXIXXUBHYTBD-UHFFFAOYSA-N 1 0 234.343 2.263 10 0 BEAERO Fc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000037988604 398335423 /nfs/dbraw/zinc/33/54/23/398335423.db2.gz PVWJVGQFUIGCJW-ZDUSSCGKSA-N 1 0 223.291 2.484 10 0 BEAERO COc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037988572 398335454 /nfs/dbraw/zinc/33/54/54/398335454.db2.gz HSNNRHYTJQCILF-ZDUSSCGKSA-N 1 0 235.327 2.354 10 0 BEAERO Fc1ccccc1C[NH2+]CC[C@H]1CCCO1 ZINC000037988681 398335460 /nfs/dbraw/zinc/33/54/60/398335460.db2.gz NGVZJOLKZGMXCX-GFCCVEGCSA-N 1 0 223.291 2.484 10 0 BEAERO CC1(C)SC(=O)N(c2ccccc2)[C@H]1[NH3+] ZINC000026479093 192056001 /nfs/dbraw/zinc/05/60/01/192056001.db2.gz QHMVSMICSGVUDA-SECBINFHSA-N 1 0 222.313 2.423 10 0 BEAERO CC[NH+](CC)CCc1ccc(C(=O)OC)cc1 ZINC000260283763 349677078 /nfs/dbraw/zinc/67/70/78/349677078.db2.gz ANVWNFOEXWHOKU-UHFFFAOYSA-N 1 0 235.327 2.358 10 0 BEAERO Fc1ccc(CNC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000398342401 398340024 /nfs/dbraw/zinc/34/00/24/398340024.db2.gz HHXMPMYADWLJLW-SECBINFHSA-N 1 0 242.725 2.178 10 0 BEAERO CC[N@@H+]1CCC[C@H](NCc2csc(C)n2)C1 ZINC000040502567 346901933 /nfs/dbraw/zinc/90/19/33/346901933.db2.gz QQSMLSDALXWXNW-NSHDSACASA-N 1 0 239.388 2.025 10 0 BEAERO CCC[C@@H](C)[NH2+]C[C@H](C)N(CC)CC ZINC000053485999 346902159 /nfs/dbraw/zinc/90/21/59/346902159.db2.gz VKPIRMDZMKWPTK-NEPJUHHUSA-N 1 0 200.370 2.495 10 0 BEAERO [NH3+][C@H]1CCCc2cccc(C(F)(F)F)c2[C@@H]1O ZINC000019795546 342958284 /nfs/dbraw/zinc/95/82/84/342958284.db2.gz RGCPZIGGAZRYCZ-GXSJLCMTSA-N 1 0 245.244 2.402 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000040502382 342969525 /nfs/dbraw/zinc/96/95/25/342969525.db2.gz ACFHCAIGGBGGPF-CQSZACIVSA-N 1 0 218.344 2.261 10 0 BEAERO CCOc1ccc(C(N)=[NH2+])cc1OC(C)C ZINC000020177227 342974238 /nfs/dbraw/zinc/97/42/38/342974238.db2.gz ICVPEPMNJFLALP-UHFFFAOYSA-N 1 0 222.288 2.157 10 0 BEAERO [NH3+][C@@H](c1ccc2c(c1)CCO2)C1CCC1 ZINC000019970992 342965528 /nfs/dbraw/zinc/96/55/28/342965528.db2.gz GYZKTWVRPLBZEV-CYBMUJFWSA-N 1 0 203.285 2.421 10 0 BEAERO CCCO[C@H]1CC[C@@H](C(F)(F)F)C[C@@H]1[NH3+] ZINC000020286044 342980648 /nfs/dbraw/zinc/98/06/48/342980648.db2.gz DPMIUWYTUBBRNQ-VGMNWLOBSA-N 1 0 225.254 2.471 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261805028 534931251 /nfs/dbraw/zinc/93/12/51/534931251.db2.gz JDZLRTBYCWOSNL-NEPJUHHUSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)[N@H+](C)C[C@H]1Cc2ccccc2C1=O ZINC000036449017 343002764 /nfs/dbraw/zinc/00/27/64/343002764.db2.gz DQJMGIINAURTMG-GFCCVEGCSA-N 1 0 217.312 2.382 10 0 BEAERO CS[C@@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162593549 349761709 /nfs/dbraw/zinc/76/17/09/349761709.db2.gz RVZMPJREYOWZRP-NAKRPEOUSA-N 1 0 229.389 2.141 10 0 BEAERO CC[N@H+]1C[C@@H]2C[C@H](C1)c1ccc(N)cc12 ZINC000117917346 343020882 /nfs/dbraw/zinc/02/08/82/343020882.db2.gz KSTYJTLEWXANGV-ZJUUUORDSA-N 1 0 202.301 2.175 10 0 BEAERO C1CCC([N@@H+]2CCS[C@H]3COCC[C@@H]32)C1 ZINC000120168021 187222132 /nfs/dbraw/zinc/22/21/32/187222132.db2.gz PKRDGKSZBSPLPZ-RYUDHWBXSA-N 1 0 227.373 2.135 10 0 BEAERO CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000374087142 187223317 /nfs/dbraw/zinc/22/33/17/187223317.db2.gz APKXHIZFRVBTKN-YNEHKIRRSA-N 1 0 211.349 2.268 10 0 BEAERO C[C@@H]1CCSC(NC[C@H]2CCSC2)=[NH+]1 ZINC000228589556 362006930 /nfs/dbraw/zinc/00/69/30/362006930.db2.gz WOFIAAQIJHLSKP-RKDXNWHRSA-N 1 0 230.402 2.211 10 0 BEAERO [NH3+][C@@H]1CC(CF)(CF)Oc2ccc(F)cc21 ZINC000139538217 343066126 /nfs/dbraw/zinc/06/61/26/343066126.db2.gz MXLWVBBYFZORNY-SECBINFHSA-N 1 0 231.217 2.286 10 0 BEAERO [NH3+][C@H](CO)c1ccccc1OCc1ccccc1 ZINC000072198970 343068917 /nfs/dbraw/zinc/06/89/17/343068917.db2.gz KGKQPMFDSNLLII-CQSZACIVSA-N 1 0 243.306 2.258 10 0 BEAERO [NH3+][C@@H](CO)c1cccc(-c2ccccc2)c1 ZINC000072198215 343069003 /nfs/dbraw/zinc/06/90/03/343069003.db2.gz RNPSFAAPHANRET-AWEZNQCLSA-N 1 0 213.280 2.346 10 0 BEAERO [NH3+][C@@H](CO)c1cccc(C(F)(F)F)c1Cl ZINC000072198897 343069018 /nfs/dbraw/zinc/06/90/18/343069018.db2.gz JOXZGGCLGYXDON-ZETCQYMHSA-N 1 0 239.624 2.351 10 0 BEAERO [NH3+][C@@H](CO)c1ccccc1OCc1ccccc1 ZINC000072198971 343069264 /nfs/dbraw/zinc/06/92/64/343069264.db2.gz KGKQPMFDSNLLII-AWEZNQCLSA-N 1 0 243.306 2.258 10 0 BEAERO Clc1csc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000165383441 343070684 /nfs/dbraw/zinc/07/06/84/343070684.db2.gz CIIQJSNUJDNIAV-SSDOTTSWSA-N 1 0 232.736 2.317 10 0 BEAERO CC1(C)CSC(NC[C@H]2CCSC2)=[NH+]1 ZINC000228589038 362006312 /nfs/dbraw/zinc/00/63/12/362006312.db2.gz ULGIODJQXLSTNI-MRVPVSSYSA-N 1 0 230.402 2.211 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)c1ccc(F)cc1F ZINC000071518689 362006411 /nfs/dbraw/zinc/00/64/11/362006411.db2.gz GULNORRRFJLEPB-JTQLQIEISA-N 1 0 213.227 2.131 10 0 BEAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400462047 343078838 /nfs/dbraw/zinc/07/88/38/343078838.db2.gz OXRLYJVDSUWDSD-DDFAGTSDSA-N 1 0 219.332 2.207 10 0 BEAERO C/C=C/C=C/C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917048 187230527 /nfs/dbraw/zinc/23/05/27/187230527.db2.gz MOCCYFDWNHTTCF-QITAWRMWSA-N 1 0 248.370 2.109 10 0 BEAERO [NH2+]=C(NO)C1(c2nccc3ccccc32)CC1 ZINC000584880889 343081710 /nfs/dbraw/zinc/08/17/10/343081710.db2.gz AHEWGZYNEQDLIL-UHFFFAOYSA-N 1 0 227.267 2.222 10 0 BEAERO CNc1c(N)cnc2c(Cl)ccc(C)c21 ZINC000584882604 343085189 /nfs/dbraw/zinc/08/51/89/343085189.db2.gz LQWSOXFJLCKHQL-UHFFFAOYSA-N 1 0 221.691 2.242 10 0 BEAERO CCNc1c(N)c[nH+]c2ccc(C)c(F)c21 ZINC000584882776 343085572 /nfs/dbraw/zinc/08/55/72/343085572.db2.gz QWKFHAIREKLBIF-UHFFFAOYSA-N 1 0 219.263 2.118 10 0 BEAERO CCNc1c(N)c[nH+]c2ccc(Cl)cc21 ZINC000584882864 343085614 /nfs/dbraw/zinc/08/56/14/343085614.db2.gz XFESLZVQNKSIQK-UHFFFAOYSA-N 1 0 221.691 2.324 10 0 BEAERO CCNc1c(N)c[nH+]c2c(C)ccc(F)c12 ZINC000584882829 343085701 /nfs/dbraw/zinc/08/57/01/343085701.db2.gz VCUHTGYQKMRTIP-UHFFFAOYSA-N 1 0 219.263 2.118 10 0 BEAERO CC1(c2cccc(Br)c2)C[NH2+]C1 ZINC000071532729 362008999 /nfs/dbraw/zinc/00/89/99/362008999.db2.gz BFXVEWHCGUXGOG-UHFFFAOYSA-N 1 0 226.117 2.310 10 0 BEAERO CC(C)(C)c1ccc(-c2n[nH]c(CC[NH3+])n2)cc1 ZINC000071559301 362009083 /nfs/dbraw/zinc/00/90/83/362009083.db2.gz OVYMYDLHWODPHE-UHFFFAOYSA-N 1 0 244.342 2.270 10 0 BEAERO [NH3+]CCc1c[nH]c2c1cc(F)cc2Cl ZINC000259072559 343076799 /nfs/dbraw/zinc/07/67/99/343076799.db2.gz CTZXGHTYAATNFD-UHFFFAOYSA-N 1 0 212.655 2.462 10 0 BEAERO C/C=C/C=C/C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917050 187230302 /nfs/dbraw/zinc/23/03/02/187230302.db2.gz MOCCYFDWNHTTCF-IEPSIJOWSA-N 1 0 248.370 2.109 10 0 BEAERO OCCCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000236503551 343101719 /nfs/dbraw/zinc/10/17/19/343101719.db2.gz RKLKPAHHHBMWSS-VHSXEESVSA-N 1 0 239.281 2.470 10 0 BEAERO CCc1cc(/C=C2\C[NH+]3CCC2CC3)on1 ZINC000013802440 343104170 /nfs/dbraw/zinc/10/41/70/343104170.db2.gz UBEJCOQXBWYFFX-YRNVUSSQSA-N 1 0 218.300 2.346 10 0 BEAERO [NH3+]Cc1nc2c(s1)Cc1ccccc1-2 ZINC000013478221 343105222 /nfs/dbraw/zinc/10/52/22/343105222.db2.gz BWMPCVUUCJUXJL-UHFFFAOYSA-N 1 0 202.282 2.173 10 0 BEAERO Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)cn1 ZINC000026514842 343106696 /nfs/dbraw/zinc/10/66/96/343106696.db2.gz QONFVVQUYMJQQR-NSHDSACASA-N 1 0 221.691 2.122 10 0 BEAERO C[N@@H+]1C[C@H]2CN3CCCc4cccc(c43)[C@H]2C1 ZINC000142661309 343111725 /nfs/dbraw/zinc/11/17/25/343111725.db2.gz IFDBQWGAONCQLO-JSGCOSHPSA-N 1 0 228.339 2.098 10 0 BEAERO CC[C@@H]([NH3+])[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000233893359 343115004 /nfs/dbraw/zinc/11/50/04/343115004.db2.gz BAGHFJKUKZIHPI-BGZDPUMWSA-N 1 0 205.392 2.349 10 0 BEAERO C[C@@H](Oc1ccc(F)cc1Cl)C(N)=[NH2+] ZINC000043516114 343115954 /nfs/dbraw/zinc/11/59/54/343115954.db2.gz GHFZTABPCJQKDL-RXMQYKEDSA-N 1 0 216.643 2.182 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])C(C)C)cc1OC ZINC000037658300 343144287 /nfs/dbraw/zinc/14/42/87/343144287.db2.gz ZEANWUBSOZFRLT-LLVKDONJSA-N 1 0 223.316 2.230 10 0 BEAERO COC[C@@H](C)CNc1ccc2c([nH+]1)CCC2 ZINC000127590889 343178441 /nfs/dbraw/zinc/17/84/41/343178441.db2.gz UCUSPSGVXZPGLX-JTQLQIEISA-N 1 0 220.316 2.265 10 0 BEAERO COc1ccc2c(c1)O[C@H](C1CC1)C[C@@H]2[NH3+] ZINC000130805705 343182238 /nfs/dbraw/zinc/18/22/38/343182238.db2.gz LIAKNAIBMWJCBB-RYUDHWBXSA-N 1 0 219.284 2.256 10 0 BEAERO CC[C@H](C)CN(CC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000093254764 343151104 /nfs/dbraw/zinc/15/11/04/343151104.db2.gz CAZKMVPECUMBGM-QWHCGFSZSA-N 1 0 240.391 2.271 10 0 BEAERO Cc1ccccc1CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000094183270 343152456 /nfs/dbraw/zinc/15/24/56/343152456.db2.gz DIZSUWWCCBILRJ-HUUCEWRRSA-N 1 0 233.355 2.431 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(CCC(C)C)C1CCCC1 ZINC000094847934 343153733 /nfs/dbraw/zinc/15/37/33/343153733.db2.gz NVFRMRBGYLQJPY-GFCCVEGCSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)C(C)(C)C ZINC000122719304 343161090 /nfs/dbraw/zinc/16/10/90/343161090.db2.gz CYAXAQDXMMUIPD-SNVBAGLBSA-N 1 0 246.354 2.454 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)CC[NH2+]C1CC1 ZINC000124882577 343165516 /nfs/dbraw/zinc/16/55/16/343165516.db2.gz ALAFXZQXOHIWJK-ZDUSSCGKSA-N 1 0 238.375 2.310 10 0 BEAERO C[C@@H]1CCN(c2nc3ccccc3o2)[C@H](C[NH3+])C1 ZINC000261551745 136272558 /nfs/dbraw/zinc/27/25/58/136272558.db2.gz XGFRVQBWPOYMCZ-MNOVXSKESA-N 1 0 245.326 2.391 10 0 BEAERO C[C@H](Nc1cc(N)cc[nH+]1)c1cccnc1 ZINC000043568901 343174053 /nfs/dbraw/zinc/17/40/53/343174053.db2.gz TYESFINTJOBUCL-VIFPVBQESA-N 1 0 214.272 2.232 10 0 BEAERO C[C@H]1C[NH2+][C@@H](c2cnc3ccccc3n2)C1 ZINC000003705231 187246677 /nfs/dbraw/zinc/24/66/77/187246677.db2.gz KVVVXHIYDLNGAJ-BXKDBHETSA-N 1 0 213.284 2.300 10 0 BEAERO C[C@H]1CCC[N@@H+]1C[C@@H](N)c1ccccc1 ZINC000165361359 343211008 /nfs/dbraw/zinc/21/10/08/343211008.db2.gz PEDYSNCMEJYFIP-WCQYABFASA-N 1 0 204.317 2.171 10 0 BEAERO CC(C)(C)OC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000197013907 343214654 /nfs/dbraw/zinc/21/46/54/343214654.db2.gz LURXPOJHBKSORO-GFCCVEGCSA-N 1 0 235.327 2.146 10 0 BEAERO OCCCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000132784049 343189421 /nfs/dbraw/zinc/18/94/21/343189421.db2.gz ZPXYBNZDZBPYPL-STQMWFEESA-N 1 0 211.349 2.414 10 0 BEAERO CC(C)C[C@@](C)([NH3+])c1noc(C2CC2)n1 ZINC000036764119 187249868 /nfs/dbraw/zinc/24/98/68/187249868.db2.gz CPWSELLFGVYTAK-LLVKDONJSA-N 1 0 209.293 2.167 10 0 BEAERO Cc1ccc(C)c([S@](=O)C[C@H]2CCC[NH2+]2)c1 ZINC000083308263 178505320 /nfs/dbraw/zinc/50/53/20/178505320.db2.gz GAHXQHMHOPOKKE-WBMJQRKESA-N 1 0 237.368 2.163 10 0 BEAERO C[C@H]([NH3+])c1cccc(-c2ccnn2C)c1 ZINC000069019924 343256651 /nfs/dbraw/zinc/25/66/51/343256651.db2.gz NMNGHFKQGPMJCH-VIFPVBQESA-N 1 0 201.273 2.107 10 0 BEAERO CC(=O)c1sc2nc(C)cc(C)[n+]2c1C ZINC000034085862 343264270 /nfs/dbraw/zinc/26/42/70/343264270.db2.gz PEZVLJHHNQUHMO-UHFFFAOYSA-N 1 0 221.305 2.010 10 0 BEAERO Cc1ccc(C)c2c1[C@H]([NH3+])CCC[S@]2=O ZINC000040974308 178507880 /nfs/dbraw/zinc/50/78/80/178507880.db2.gz CSSJHCHATQSTBH-BMIGLBTASA-N 1 0 223.341 2.205 10 0 BEAERO O=C(CC1CCCC1)NCC[C@@H]1CCCC[NH2+]1 ZINC000019518406 187252909 /nfs/dbraw/zinc/25/29/09/187252909.db2.gz HTOOUYVMXAIJOE-ZDUSSCGKSA-N 1 0 238.375 2.215 10 0 BEAERO CC(C)(C)c1ccc(C[C@](C)(O)C[NH3+])cc1 ZINC000019684407 187252973 /nfs/dbraw/zinc/25/29/73/187252973.db2.gz KDCKDSBTCWDEKJ-AWEZNQCLSA-N 1 0 221.344 2.236 10 0 BEAERO CCc1cc(C2=CCC[N@H+](C)C2)n(CC)n1 ZINC000034597625 343275925 /nfs/dbraw/zinc/27/59/25/343275925.db2.gz ACLGPFXTJSNPLG-UHFFFAOYSA-N 1 0 219.332 2.184 10 0 BEAERO Cc1cc(C[NH3+])c(C)n1Cc1ccccn1 ZINC000034936135 343280806 /nfs/dbraw/zinc/28/08/06/343280806.db2.gz KBUBJUCVBOMEOG-UHFFFAOYSA-N 1 0 215.300 2.007 10 0 BEAERO [NH3+][C@@H]1COc2c1c(Cl)ccc2Cl ZINC000035654274 343301297 /nfs/dbraw/zinc/30/12/97/343301297.db2.gz ZUKFBYMLGJQSCE-ZCFIWIBFSA-N 1 0 204.056 2.386 10 0 BEAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)C(N)=O ZINC000035792881 343304474 /nfs/dbraw/zinc/30/44/74/343304474.db2.gz COPKRBMZZPNQJM-RNFRBKRXSA-N 1 0 244.697 2.004 10 0 BEAERO C[C@@H](C(=O)NCC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000139357002 343309196 /nfs/dbraw/zinc/30/91/96/343309196.db2.gz CXZUMXPMSDIRCC-LLVKDONJSA-N 1 0 248.370 2.411 10 0 BEAERO Nc1[nH]cc(-c2ccc(Br)s2)[nH+]1 ZINC000036164778 343311345 /nfs/dbraw/zinc/31/13/45/343311345.db2.gz ZJNWSIHHNHZSKA-UHFFFAOYSA-N 1 0 244.117 2.483 10 0 BEAERO NNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000038343356 343374167 /nfs/dbraw/zinc/37/41/67/343374167.db2.gz ZTJVQJPRTRATKB-GOOCMWNKSA-N 1 0 245.370 2.035 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000070916153 343339421 /nfs/dbraw/zinc/33/94/21/343339421.db2.gz VDUUDODWSOCOTE-VIFPVBQESA-N 1 0 225.254 2.176 10 0 BEAERO COC(=O)CCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000037416990 343345130 /nfs/dbraw/zinc/34/51/30/343345130.db2.gz XRFRBBVFFOIWOW-SNVBAGLBSA-N 1 0 225.288 2.192 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000037490810 343347122 /nfs/dbraw/zinc/34/71/22/343347122.db2.gz MXCLQICAAUGFCQ-ZIAGYGMSSA-N 1 0 237.318 2.261 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccco1 ZINC000037691499 343351265 /nfs/dbraw/zinc/35/12/65/343351265.db2.gz ZXOFLICGJOBNNZ-MXWKQRLJSA-N 1 0 209.289 2.234 10 0 BEAERO COc1ccc([C@H]([NH3+])c2ccncc2)c(F)c1 ZINC000036766566 187258787 /nfs/dbraw/zinc/25/87/87/187258787.db2.gz LMRIPZVXBQVZPQ-CYBMUJFWSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccc([C@@H](N)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036879035 187258899 /nfs/dbraw/zinc/25/88/99/187258899.db2.gz BENSNHAYAOQQMM-WFASDCNBSA-N 1 0 248.370 2.427 10 0 BEAERO COC(=O)[C@H](CC(C)(C)C)NC1CCCC1 ZINC000061840434 344032139 /nfs/dbraw/zinc/03/21/39/344032139.db2.gz XQAJRAAXBXCAKM-NSHDSACASA-N 1 0 227.348 2.496 10 0 BEAERO COc1ccc(F)cc1C(=O)[C@@H]([NH3+])CC(C)C ZINC000036164233 187259335 /nfs/dbraw/zinc/25/93/35/187259335.db2.gz DUHATGHCGBARKR-NSHDSACASA-N 1 0 239.290 2.390 10 0 BEAERO C[NH+](C)CCOc1cc2ccccc2cc1O ZINC000036897006 187259339 /nfs/dbraw/zinc/25/93/39/187259339.db2.gz CROKQAMXECOJHV-UHFFFAOYSA-N 1 0 231.295 2.486 10 0 BEAERO CC(C)COC(=O)NCc1ccc(C[NH3+])cc1 ZINC000037748047 187259851 /nfs/dbraw/zinc/25/98/51/187259851.db2.gz XCJSRTQVUCREEK-UHFFFAOYSA-N 1 0 236.315 2.028 10 0 BEAERO CCOc1ccc2c(cc3n2CC[NH2+]C3)c1 ZINC000039100260 343383535 /nfs/dbraw/zinc/38/35/35/343383535.db2.gz HAIYMBIBZPDZLO-UHFFFAOYSA-N 1 0 216.284 2.143 10 0 BEAERO CCCC(=O)OC[C@@H]1CCC[N@H+](CC)C1 ZINC000039101681 343383931 /nfs/dbraw/zinc/38/39/31/343383931.db2.gz OFPQNOXJKBMDOE-LLVKDONJSA-N 1 0 213.321 2.062 10 0 BEAERO Cc1cc(Br)ccc1CC[NH3+] ZINC000039109561 343384839 /nfs/dbraw/zinc/38/48/39/343384839.db2.gz FCVBXOOAKYDRNK-UHFFFAOYSA-N 1 0 214.106 2.259 10 0 BEAERO CCC[C@H]1[NH2+]Cc2sc(N)nc2[C@H]1C ZINC000039109076 343384904 /nfs/dbraw/zinc/38/49/04/343384904.db2.gz ANZGPGIGZNKFSM-NKWVEPMBSA-N 1 0 211.334 2.101 10 0 BEAERO C[C@@]1(c2cccc(O)c2)CCCC[NH2+]C1 ZINC000039105378 343384981 /nfs/dbraw/zinc/38/49/81/343384981.db2.gz CFBMVIZSBHZLEM-CYBMUJFWSA-N 1 0 205.301 2.423 10 0 BEAERO CC[N@H+](C)Cc1cccc(C)c1NC(C)=O ZINC000039110282 343385221 /nfs/dbraw/zinc/38/52/21/343385221.db2.gz YZHRUPYMRJAOLD-UHFFFAOYSA-N 1 0 220.316 2.405 10 0 BEAERO Cc1cc(C)n(CC[C@H]2CCCC[NH2+]2)n1 ZINC000041671211 343422693 /nfs/dbraw/zinc/42/26/93/343422693.db2.gz OEVHWKAPKZOJLT-GFCCVEGCSA-N 1 0 207.321 2.032 10 0 BEAERO Cc1ccccc1[C@@H](CN)[N@H+]1CCC[C@@H]1C ZINC000037910417 187261290 /nfs/dbraw/zinc/26/12/90/187261290.db2.gz OCBORYJSWFYGAH-GXTWGEPZSA-N 1 0 218.344 2.479 10 0 BEAERO CCSc1nc(C)cc(C)c1C(N)=[NH2+] ZINC000040515347 343406112 /nfs/dbraw/zinc/40/61/12/343406112.db2.gz LTLPSTNXSJCWME-UHFFFAOYSA-N 1 0 209.318 2.095 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000037876778 187261303 /nfs/dbraw/zinc/26/13/03/187261303.db2.gz PVLZFVTWNBEGKA-HUUCEWRRSA-N 1 0 249.354 2.478 10 0 BEAERO [NH3+][C@@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000040941965 343411809 /nfs/dbraw/zinc/41/18/09/343411809.db2.gz BNJICPSSJZQIOE-ONGXEEELSA-N 1 0 211.692 2.376 10 0 BEAERO C[C@H]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000230418789 343425365 /nfs/dbraw/zinc/42/53/65/343425365.db2.gz RGTRECMDUAXLKO-UMSGYPCISA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)C1CC1 ZINC000377995837 136333437 /nfs/dbraw/zinc/33/34/37/136333437.db2.gz HDQIZQROLAKRCV-ZYHUDNBSSA-N 1 0 219.332 2.149 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000157337456 133484999 /nfs/dbraw/zinc/48/49/99/133484999.db2.gz BNGXFKSIPKTVRU-NEPJUHHUSA-N 1 0 226.364 2.069 10 0 BEAERO Cc1nccc(C[NH2+]CCC2CCCC2)n1 ZINC000054790687 136372973 /nfs/dbraw/zinc/37/29/73/136372973.db2.gz QGNNKPQLKJRMNU-UHFFFAOYSA-N 1 0 219.332 2.455 10 0 BEAERO OCCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000082863302 343469109 /nfs/dbraw/zinc/46/91/09/343469109.db2.gz YNOCMXOWUDZNBO-DTWKUNHWSA-N 1 0 225.254 2.080 10 0 BEAERO CC(C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082943865 343472199 /nfs/dbraw/zinc/47/21/99/343472199.db2.gz NVPYFBPTISTRJP-SRVKXCTJSA-N 1 0 211.349 2.436 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cn[nH]n2)CC1 ZINC000616629213 343527993 /nfs/dbraw/zinc/52/79/93/343527993.db2.gz UFHASQZPZHRMAI-SNVBAGLBSA-N 1 0 222.336 2.173 10 0 BEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH+]1CCC([NH3+])CC1 ZINC000252200744 343529046 /nfs/dbraw/zinc/52/90/46/343529046.db2.gz TZUKKZHRDAMJLN-PJXYFTJBSA-N 1 0 210.365 2.234 10 0 BEAERO COc1cc2c(cc1OC)[C@H](C[NH3+])CCC2 ZINC000084419274 343530615 /nfs/dbraw/zinc/53/06/15/343530615.db2.gz XRRAMPRLMQTVDZ-JTQLQIEISA-N 1 0 221.300 2.082 10 0 BEAERO CC[C@H]([NH2+]C[C@](C)(O)CSC)[C@@H]1C[C@H]1C ZINC000321752171 343531786 /nfs/dbraw/zinc/53/17/86/343531786.db2.gz BEHDWIHKPXRAJF-WYUUTHIRSA-N 1 0 231.405 2.125 10 0 BEAERO CCCn1nc(C[NH2+]C)c(-c2ccccc2)n1 ZINC000045944930 343536172 /nfs/dbraw/zinc/53/61/72/343536172.db2.gz ZPGUFMNGFXCXGP-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO CC[C@@H](CSC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000379528148 343571868 /nfs/dbraw/zinc/57/18/68/343571868.db2.gz TYOGNHAEDKCLKC-VHSXEESVSA-N 1 0 219.394 2.125 10 0 BEAERO CC(=O)Nc1ccc(NCCC[NH+](C)C)cc1 ZINC000041267269 187264867 /nfs/dbraw/zinc/26/48/67/187264867.db2.gz ZFOCREIFUAAXSD-UHFFFAOYSA-N 1 0 235.331 2.009 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042592415 187266213 /nfs/dbraw/zinc/26/62/13/187266213.db2.gz ONDPCASXMFRQBL-STQMWFEESA-N 1 0 240.391 2.412 10 0 BEAERO CC(C)([NH3+])c1noc(CC2CCCCC2)n1 ZINC000041052831 187264559 /nfs/dbraw/zinc/26/45/59/187264559.db2.gz UMYDCXKXRHMFOR-UHFFFAOYSA-N 1 0 223.320 2.386 10 0 BEAERO c1cc2c(s1)[C@@H](C1CCOCC1)[NH2+]CC2 ZINC000712537016 537790483 /nfs/dbraw/zinc/79/04/83/537790483.db2.gz VLKGPGPSMCSLAW-LLVKDONJSA-N 1 0 223.341 2.362 10 0 BEAERO CCn1cncc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712541691 537790509 /nfs/dbraw/zinc/79/05/09/537790509.db2.gz AFVQWIDJQWIVGE-LLVKDONJSA-N 1 0 233.340 2.200 10 0 BEAERO C[C@@H]1CC[C@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712542740 537791464 /nfs/dbraw/zinc/79/14/64/537791464.db2.gz NSJCWWHECAXZTC-BXKDBHETSA-N 1 0 223.341 2.288 10 0 BEAERO Cc1ccc(CN(C)[C@@H]2CCCC[NH2+]C2)o1 ZINC000054135031 178551006 /nfs/dbraw/zinc/55/10/06/178551006.db2.gz CIGGWAHZWHNFDL-GFCCVEGCSA-N 1 0 222.332 2.162 10 0 BEAERO Cc1ccccc1[C@@H](C[NH3+])OC1CCOCC1 ZINC000043040467 187267386 /nfs/dbraw/zinc/26/73/86/187267386.db2.gz NAEFXPPTQGYCTN-CQSZACIVSA-N 1 0 235.327 2.190 10 0 BEAERO CC(C)[C@@H]([NH3+])c1nc(-c2cnn(C)c2)cs1 ZINC000044495448 187267758 /nfs/dbraw/zinc/26/77/58/187267758.db2.gz XPCWFUHHTRPRGV-SNVBAGLBSA-N 1 0 236.344 2.199 10 0 BEAERO CN1CCC[C@@]2(CC1)[NH2+]CCc1ccsc12 ZINC000712541940 537792956 /nfs/dbraw/zinc/79/29/56/537792956.db2.gz HIHWLQSBOUQDPS-ZDUSSCGKSA-N 1 0 236.384 2.205 10 0 BEAERO C[Si](C)(C)C[N@H+](CO)Cc1ccccc1 ZINC000205647168 343638482 /nfs/dbraw/zinc/63/84/82/343638482.db2.gz NBNWSQDLGHNFLA-UHFFFAOYSA-N 1 0 223.392 2.316 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CCC3CCC3)C[C@H]2C1 ZINC000399075656 488227102 /nfs/dbraw/zinc/22/71/02/488227102.db2.gz MOWZNMQZTLMUPX-BFHYXJOUSA-N 1 0 223.360 2.269 10 0 BEAERO COC(C[C@@]1(C)[NH2+]CCc2ccsc21)OC ZINC000712587570 537795248 /nfs/dbraw/zinc/79/52/48/537795248.db2.gz OOKUGJKLRSHQEK-GFCCVEGCSA-N 1 0 241.356 2.118 10 0 BEAERO CC[N@@H+]1CCC[C@H]2Cc3c(O)cc(O)cc3C[C@@H]21 ZINC000198921364 343679167 /nfs/dbraw/zinc/67/91/67/343679167.db2.gz RSOPNNIYDLZPSY-HZMBPMFUSA-N 1 0 247.338 2.297 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](CC1CC1)CC2 ZINC000088023407 343693922 /nfs/dbraw/zinc/69/39/22/343693922.db2.gz QWOLKQWGBWLPBO-QWHCGFSZSA-N 1 0 209.333 2.023 10 0 BEAERO [NH3+]C[C@H](c1ccccc1)[C@H]1CCSC1 ZINC000107149219 343705999 /nfs/dbraw/zinc/70/59/99/343705999.db2.gz VZTJRUNIEQAXBK-NWDGAFQWSA-N 1 0 207.342 2.482 10 0 BEAERO [NH3+]C[C@H](c1ccccc1)[C@@H]1CCSC1 ZINC000107149215 343706270 /nfs/dbraw/zinc/70/62/70/343706270.db2.gz VZTJRUNIEQAXBK-VXGBXAGGSA-N 1 0 207.342 2.482 10 0 BEAERO COc1ccc([C@@H](O)C[NH2+]CC(C)C)cc1F ZINC000049830541 187270696 /nfs/dbraw/zinc/27/06/96/187270696.db2.gz DDYLEIILFYQZIF-LBPRGKRZSA-N 1 0 241.306 2.113 10 0 BEAERO CC(C)(C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000083957733 343688782 /nfs/dbraw/zinc/68/87/82/343688782.db2.gz OAODFDKNURYSAW-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO Cc1cnc(SCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051920618 187271073 /nfs/dbraw/zinc/27/10/73/187271073.db2.gz QBBXMBPGRUGGJU-NSHDSACASA-N 1 0 237.372 2.267 10 0 BEAERO [NH3+][C@@H]1c2ccccc2[C@@H]2CCCC[C@@H]2[C@H]1O ZINC000309057675 346959175 /nfs/dbraw/zinc/95/91/75/346959175.db2.gz FJULULWKKOSKMQ-SCUASFONSA-N 1 0 217.312 2.335 10 0 BEAERO C[C@@H](c1cccc(Cl)c1)N(C)C(N)=[NH2+] ZINC000062013092 343731752 /nfs/dbraw/zinc/73/17/52/343731752.db2.gz MZMBDQBJHCNSFC-ZETCQYMHSA-N 1 0 211.696 2.226 10 0 BEAERO Cc1ccc(CC[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000090015184 343749859 /nfs/dbraw/zinc/74/98/59/343749859.db2.gz ZIDIECMKYWTZFY-GXTWGEPZSA-N 1 0 219.328 2.305 10 0 BEAERO CN1c2ccccc2[C@@H](C2CC[NH2+]CC2)OC1=O ZINC000504562087 529833202 /nfs/dbraw/zinc/83/32/02/529833202.db2.gz HWIMUUBAQSCKEJ-CYBMUJFWSA-N 1 0 246.310 2.314 10 0 BEAERO C=C1c2ccccc2C(=O)N1CC[NH2+]C(C)C ZINC000054268037 187271803 /nfs/dbraw/zinc/27/18/03/187271803.db2.gz WNKJENJWGKTLBR-UHFFFAOYSA-N 1 0 230.311 2.111 10 0 BEAERO Nc1cc(N2CCCCCC2)nc(C2CC2)[nH+]1 ZINC000126866010 343786812 /nfs/dbraw/zinc/78/68/12/343786812.db2.gz PCRYCMFVAVHXIX-UHFFFAOYSA-N 1 0 232.331 2.317 10 0 BEAERO C[NH2+]CCCc1cnn(Cc2ccccc2)c1 ZINC000054670265 343789507 /nfs/dbraw/zinc/78/95/07/343789507.db2.gz UHEKGYNIMHZJGA-UHFFFAOYSA-N 1 0 229.327 2.083 10 0 BEAERO [NH3+]Cc1c(C2CCC2)nc2ccccn21 ZINC000082638977 537814360 /nfs/dbraw/zinc/81/43/60/537814360.db2.gz MEJJGRBKDQXAOW-UHFFFAOYSA-N 1 0 201.273 2.061 10 0 BEAERO C[C@H](c1ccncc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093952462 537815259 /nfs/dbraw/zinc/81/52/59/537815259.db2.gz MVMIQTZTLIYTRI-UKRRQHHQSA-N 1 0 245.370 2.313 10 0 BEAERO [NH3+][C@H]1CC[C@H](OC(=O)N2CCCCCC2)CC1 ZINC000299910621 343796921 /nfs/dbraw/zinc/79/69/21/343796921.db2.gz RPPSBSJRBDRHBN-HAQNSBGRSA-N 1 0 240.347 2.269 10 0 BEAERO CCCCN(Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000409427113 343799967 /nfs/dbraw/zinc/79/99/67/343799967.db2.gz HNBZAHGYUORYRT-LBPRGKRZSA-N 1 0 234.343 2.163 10 0 BEAERO Cc1sccc1C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000227880507 346970692 /nfs/dbraw/zinc/97/06/92/346970692.db2.gz BAVPEOASGQMPEC-OIBJUYFYSA-N 1 0 209.314 2.095 10 0 BEAERO [NH3+]C[C@H](Cc1ccco1)CC(F)(F)F ZINC000409427690 343801738 /nfs/dbraw/zinc/80/17/38/343801738.db2.gz XGMWGMCCPUTVAD-SSDOTTSWSA-N 1 0 207.195 2.349 10 0 BEAERO FC[C@H]1C[NH2+]C[C@H]1c1ccc(Br)o1 ZINC000409422446 343813360 /nfs/dbraw/zinc/81/33/60/343813360.db2.gz FYUWREHJIJGBCQ-NKWVEPMBSA-N 1 0 248.095 2.315 10 0 BEAERO CCOc1cccc([C@H]2C[NH2+]C[C@@H]2CF)c1 ZINC000409423708 343815852 /nfs/dbraw/zinc/81/58/52/343815852.db2.gz UIWLSRHZLVRUGQ-WCQYABFASA-N 1 0 223.291 2.358 10 0 BEAERO CC[C@@H](C)N(CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290739 488237688 /nfs/dbraw/zinc/23/76/88/488237688.db2.gz OEFMQFVOHCBHLP-NEPJUHHUSA-N 1 0 226.364 2.023 10 0 BEAERO COc1cccc(NC(=O)C2(C)CC[NH2+]CC2)c1 ZINC000062839624 187274330 /nfs/dbraw/zinc/27/43/30/187274330.db2.gz NYNLHEOKLJKLDY-UHFFFAOYSA-N 1 0 248.326 2.023 10 0 BEAERO CC(C)[N@H+](Cc1cccc(N)c1)[C@H]1CCOC1 ZINC000070533301 187274445 /nfs/dbraw/zinc/27/44/45/187274445.db2.gz SJSADVFSHQNXOO-AWEZNQCLSA-N 1 0 234.343 2.268 10 0 BEAERO NC(=[NH2+])CCc1c(C2CCC2)n[nH]c1C1CC1 ZINC000409442162 343857376 /nfs/dbraw/zinc/85/73/76/343857376.db2.gz XDNFPNXYMVSQCQ-UHFFFAOYSA-N 1 0 232.331 2.423 10 0 BEAERO CCn1cc(CC[NH2+]C)c(-c2ccccc2)n1 ZINC000409440883 343855915 /nfs/dbraw/zinc/85/59/15/343855915.db2.gz VIQPVUSSRYCBMS-UHFFFAOYSA-N 1 0 229.327 2.332 10 0 BEAERO c1cc(-c2cnn(C[C@@H]3CCC[NH2+]C3)c2)co1 ZINC000409440839 343855987 /nfs/dbraw/zinc/85/59/87/343855987.db2.gz VCOKWWWKUUMZCQ-LLVKDONJSA-N 1 0 231.299 2.143 10 0 BEAERO C[NH2+][C@H]1CSCc2ccc(OC)cc21 ZINC000159056030 346995101 /nfs/dbraw/zinc/99/51/01/346995101.db2.gz FODMKEHLBRYTGV-NSHDSACASA-N 1 0 209.314 2.203 10 0 BEAERO [NH3+]Cc1c(-c2ccccn2)n[nH]c1C1CCC1 ZINC000409441960 343856586 /nfs/dbraw/zinc/85/65/86/343856586.db2.gz VQMGEPZSQAQWAC-UHFFFAOYSA-N 1 0 228.299 2.198 10 0 BEAERO Cc1ccc(CNC(=O)[C@H](CC[NH3+])C(C)C)cc1 ZINC000076634147 178597246 /nfs/dbraw/zinc/59/72/46/178597246.db2.gz OMBAPSZRYUTIAW-CQSZACIVSA-N 1 0 248.370 2.232 10 0 BEAERO [NH3+]Cc1cc(Cc2ccccc2Cl)ncn1 ZINC000409436690 343839845 /nfs/dbraw/zinc/83/98/45/343839845.db2.gz VJBVOGJTEKLHSW-UHFFFAOYSA-N 1 0 233.702 2.180 10 0 BEAERO CC(C)c1[nH]nc(-c2ccccn2)c1C[NH3+] ZINC000409442096 343857389 /nfs/dbraw/zinc/85/73/89/343857389.db2.gz WMMCXAZCOUJSQC-UHFFFAOYSA-N 1 0 216.288 2.054 10 0 BEAERO CC[C@H](C)n1cc(C2CC[NH2+]CC2)cn1 ZINC000575623285 343875762 /nfs/dbraw/zinc/87/57/62/343875762.db2.gz FSWDVHCIINJDPA-JTQLQIEISA-N 1 0 207.321 2.321 10 0 BEAERO Cc1nc(C)c(COC[C@@H]2CCC[NH2+]C2)s1 ZINC000585144308 343879497 /nfs/dbraw/zinc/87/94/97/343879497.db2.gz KJZBXGDUIKAKQI-LLVKDONJSA-N 1 0 240.372 2.276 10 0 BEAERO Cc1nc(C)c(COC[C@@H]2CCC[NH2+]2)s1 ZINC000585144560 343879656 /nfs/dbraw/zinc/87/96/56/343879656.db2.gz SKFRZRJMWYHTSB-JTQLQIEISA-N 1 0 226.345 2.029 10 0 BEAERO [NH2+]=C(NO)[C@H](C1CCCC1)n1cccc1 ZINC000409442556 343858587 /nfs/dbraw/zinc/85/85/87/343858587.db2.gz WXNGNOLPPFGDBC-JTQLQIEISA-N 1 0 207.277 2.175 10 0 BEAERO CC(C)Cc1[nH]nc(C2CCC2)c1C[NH3+] ZINC000409441615 343860168 /nfs/dbraw/zinc/86/01/68/343860168.db2.gz SFNDLHPNGHCAOW-UHFFFAOYSA-N 1 0 207.321 2.334 10 0 BEAERO NC(=[NH2+])CCc1c(C2CC2)n[nH]c1C1CC1 ZINC000409441905 343861656 /nfs/dbraw/zinc/86/16/56/343861656.db2.gz USPMJJATIQYRBR-UHFFFAOYSA-N 1 0 218.304 2.033 10 0 BEAERO NC(=[NH2+])c1cc(-c2cccs2)nn1C(F)F ZINC000409443676 343862227 /nfs/dbraw/zinc/86/22/27/343862227.db2.gz RIDWQHGTGKMYTO-UHFFFAOYSA-N 1 0 242.254 2.291 10 0 BEAERO CC(C)n1nc(-c2cccs2)cc1C(N)=[NH2+] ZINC000409443999 343863643 /nfs/dbraw/zinc/86/36/43/343863643.db2.gz YFGDKSKKVJGDLS-UHFFFAOYSA-N 1 0 234.328 2.477 10 0 BEAERO C[NH2+]Cc1cc(-c2ccccn2)nn1C(F)F ZINC000409443102 343865484 /nfs/dbraw/zinc/86/54/84/343865484.db2.gz HAUDQJUQLYCDBD-UHFFFAOYSA-N 1 0 238.241 2.060 10 0 BEAERO C[C@@H]([NH3+])c1cnn(CC2CC(C)(C)C2)c1 ZINC000575623386 343875532 /nfs/dbraw/zinc/87/55/32/343875532.db2.gz NUSRQIMBSPDMIP-SECBINFHSA-N 1 0 207.321 2.339 10 0 BEAERO C[NH+]1CCC(c2ccc(N)cc2F)CC1 ZINC000075905978 187278592 /nfs/dbraw/zinc/27/85/92/187278592.db2.gz MKBLDBXGYGCCEH-UHFFFAOYSA-N 1 0 208.280 2.217 10 0 BEAERO CC[C@@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000022129297 343908010 /nfs/dbraw/zinc/90/80/10/343908010.db2.gz QFGSYQTVDDVXPZ-NSHDSACASA-N 1 0 210.346 2.104 10 0 BEAERO C[C@@H]1CC(C[NH2+]CC2=CCCOC2)C[C@@H](C)O1 ZINC000341473554 187355515 /nfs/dbraw/zinc/35/55/15/187355515.db2.gz VYUOMRSUVGVFFD-VXGBXAGGSA-N 1 0 239.359 2.126 10 0 BEAERO CN(c1c(Cl)cccc1C[NH3+])C1CC1 ZINC000234259548 343922153 /nfs/dbraw/zinc/92/21/53/343922153.db2.gz WETWIXOMLGTBAZ-UHFFFAOYSA-N 1 0 210.708 2.397 10 0 BEAERO [NH3+][C@@]1(CCc2cccs2)CCCOC1 ZINC000070012776 343947031 /nfs/dbraw/zinc/94/70/31/343947031.db2.gz KBQQZUJIUDNFOE-LLVKDONJSA-N 1 0 211.330 2.189 10 0 BEAERO NNc1[nH+]ccc2cc(Br)ccc21 ZINC000036258072 343975017 /nfs/dbraw/zinc/97/50/17/343975017.db2.gz LTFAZVYLLVMIEL-UHFFFAOYSA-N 1 0 238.088 2.283 10 0 BEAERO CNC(=[NH2+])Nc1c(F)cccc1Cl ZINC000135251108 343975458 /nfs/dbraw/zinc/97/54/58/343975458.db2.gz VLPBSQAHTZLGRQ-UHFFFAOYSA-N 1 0 201.632 2.045 10 0 BEAERO CCOc1ccccc1NC(=O)C[C@@H](C)[NH2+]C ZINC000077372655 187280467 /nfs/dbraw/zinc/28/04/67/187280467.db2.gz QPQLUZKRABNZEP-SNVBAGLBSA-N 1 0 236.315 2.022 10 0 BEAERO CCC[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC000082926142 362272179 /nfs/dbraw/zinc/27/21/79/362272179.db2.gz BXEHXSDQYIJADL-ZDUSSCGKSA-N 1 0 204.317 2.043 10 0 BEAERO C[NH2+][C@@H](C)C(=O)c1c(C)cc(C)cc1F ZINC000234384038 343959934 /nfs/dbraw/zinc/95/99/34/343959934.db2.gz GXWZPEDFFMEIIT-VIFPVBQESA-N 1 0 209.264 2.233 10 0 BEAERO CC(C)N(C[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095088183 187287061 /nfs/dbraw/zinc/28/70/61/187287061.db2.gz WPQNSEWHHSYEHA-VIFPVBQESA-N 1 0 224.270 2.216 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000335919690 344087058 /nfs/dbraw/zinc/08/70/58/344087058.db2.gz UEVSTUYBTLCFNQ-WDEREUQCSA-N 1 0 249.276 2.484 10 0 BEAERO CC1(C)[C@@H]([NH2+]C2CCSCC2)[C@@H]2CCO[C@@H]21 ZINC000125925697 344165956 /nfs/dbraw/zinc/16/59/56/344165956.db2.gz TZQSGJSCIPRPTQ-SRVKXCTJSA-N 1 0 241.400 2.285 10 0 BEAERO CC(C)C(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616569648 344171103 /nfs/dbraw/zinc/17/11/03/344171103.db2.gz BRKYHHSRNAVOJD-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1cc(Cl)ccc1[C@H]1COC(=[NH2+])N1 ZINC000235780027 344130712 /nfs/dbraw/zinc/13/07/12/344130712.db2.gz VICOLHFTEAKJRI-SECBINFHSA-N 1 0 210.664 2.034 10 0 BEAERO CC(C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616568398 344163149 /nfs/dbraw/zinc/16/31/49/344163149.db2.gz BFUKOPXYQCFCOB-CHWSQXEVSA-N 1 0 240.391 2.173 10 0 BEAERO FC(F)(F)c1noc(CCC2CC[NH2+]CC2)n1 ZINC000096882345 187290012 /nfs/dbraw/zinc/29/00/12/187290012.db2.gz HQBBCKJBHGSCIP-UHFFFAOYSA-N 1 0 249.236 2.021 10 0 BEAERO CSC[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000131539349 344233229 /nfs/dbraw/zinc/23/32/29/344233229.db2.gz UVXCWKYYIUYOLL-IUCAKERBSA-N 1 0 205.392 2.223 10 0 BEAERO Cc1ccc(CNc2cc[nH+]cc2N)o1 ZINC000053035868 178640419 /nfs/dbraw/zinc/64/04/19/178640419.db2.gz MBVQTDGJWVLXNU-UHFFFAOYSA-N 1 0 203.245 2.177 10 0 BEAERO CC[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)C1 ZINC000616577443 344200830 /nfs/dbraw/zinc/20/08/30/344200830.db2.gz XCJXWWRRTKJFFN-CYBMUJFWSA-N 1 0 223.291 2.129 10 0 BEAERO COc1cccc([C@H](C)[NH2+]Cc2cncnc2)c1 ZINC000054767928 344251409 /nfs/dbraw/zinc/25/14/09/344251409.db2.gz GTMVFFYVTNFRKT-NSHDSACASA-N 1 0 243.310 2.336 10 0 BEAERO FC1(Cc2ccc(Br)cc2)C[NH2+]C1 ZINC000158118148 344243518 /nfs/dbraw/zinc/24/35/18/344243518.db2.gz WWUZQVCKSHRSOF-UHFFFAOYSA-N 1 0 244.107 2.303 10 0 BEAERO C[C@@H]([NH3+])CCc1cc(F)c(F)cc1F ZINC000142504931 344324495 /nfs/dbraw/zinc/32/44/95/344324495.db2.gz BMRVBZWUTLIJEP-ZCFIWIBFSA-N 1 0 203.207 2.384 10 0 BEAERO CC(C)Oc1ccccc1[C@@H](C)N[C@@H]1CC[NH2+]C1 ZINC000094080464 344325381 /nfs/dbraw/zinc/32/53/81/344325381.db2.gz OQHIZZXEUSNQAI-CHWSQXEVSA-N 1 0 248.370 2.486 10 0 BEAERO [NH3+]C1CCC(F)(Cc2nccs2)CC1 ZINC000158045132 344327379 /nfs/dbraw/zinc/32/73/79/344327379.db2.gz MAZNMNMSNTWEBK-UHFFFAOYSA-N 1 0 214.309 2.295 10 0 BEAERO Cc1ccc(Cl)c(OCCO[C@@H](C)C[NH3+])c1 ZINC000074528095 178658595 /nfs/dbraw/zinc/65/85/95/178658595.db2.gz RBHHVGLEFGFEET-JTQLQIEISA-N 1 0 243.734 2.391 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)c1ccco1 ZINC000158063275 344363422 /nfs/dbraw/zinc/36/34/22/344363422.db2.gz VSHQLNQGZSCENQ-VHSXEESVSA-N 1 0 207.273 2.193 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncc(Cl)cc1Cl ZINC000385295624 344388757 /nfs/dbraw/zinc/38/87/57/344388757.db2.gz ZEESJZSXWYFTQR-POYBYMJQSA-N 1 0 246.141 2.314 10 0 BEAERO COc1cc([C@H](F)C[NH3+])ccc1Cl ZINC000158078495 344400950 /nfs/dbraw/zinc/40/09/50/344400950.db2.gz PPIDSFKRRCDBKV-MRVPVSSYSA-N 1 0 203.644 2.318 10 0 BEAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccsc1 ZINC000143156323 344403002 /nfs/dbraw/zinc/40/30/02/344403002.db2.gz SNDIYIPKTQKBEI-SECBINFHSA-N 1 0 242.344 2.273 10 0 BEAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309615971 344415582 /nfs/dbraw/zinc/41/55/82/344415582.db2.gz NVWGOILUJDPQMY-SDDRHHMPSA-N 1 0 226.364 2.068 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2c[nH]cn2)CC1 ZINC000616600405 344444237 /nfs/dbraw/zinc/44/42/37/344444237.db2.gz DSKKHLIFGXGJRE-LLVKDONJSA-N 1 0 207.321 2.388 10 0 BEAERO CC(C)Oc1nc(C2CC[NH+](C)CC2)ccc1N ZINC000150316882 344451666 /nfs/dbraw/zinc/45/16/66/344451666.db2.gz UEFXWQOKHBMXDH-UHFFFAOYSA-N 1 0 249.358 2.260 10 0 BEAERO CCC[C@@H]1[NH2+][C@H](C)CC[S@@](=O)[C@@H]1CC ZINC000227557668 344508354 /nfs/dbraw/zinc/50/83/54/344508354.db2.gz QCGOZGXXPYFGFN-FBKDDSFISA-N 1 0 217.378 2.064 10 0 BEAERO C[C@@](F)(C[NH3+])Cc1ccc(F)cc1F ZINC000158247813 344574414 /nfs/dbraw/zinc/57/44/14/344574414.db2.gz DWYUADQISSZOLE-JTQLQIEISA-N 1 0 203.207 2.194 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1conn1 ZINC000616616058 344544594 /nfs/dbraw/zinc/54/45/94/344544594.db2.gz YPIZXFIRJCANBF-JTQLQIEISA-N 1 0 209.293 2.395 10 0 BEAERO C[C@@H]1CCC[N@H+](CC(=O)C2CCCC2)C1 ZINC000158169153 344558610 /nfs/dbraw/zinc/55/86/10/344558610.db2.gz MFWDHYIZFWCFQE-LLVKDONJSA-N 1 0 209.333 2.478 10 0 BEAERO C[C@@H]([NH2+][C@@H]1C[C@H]1CO)C1C(C)(C)C1(C)C ZINC000381977846 347057511 /nfs/dbraw/zinc/05/75/11/347057511.db2.gz AQJSYQZHIDZIJY-KXUCPTDWSA-N 1 0 211.349 2.028 10 0 BEAERO Cc1ccc(F)cc1-c1nnc(CCC[NH3+])o1 ZINC000062667188 178681543 /nfs/dbraw/zinc/68/15/43/178681543.db2.gz YLHVBGURBFJFLS-UHFFFAOYSA-N 1 0 235.262 2.075 10 0 BEAERO CC(C)C1(C(C)C)[NH2+]CCc2nc[nH]c21 ZINC000400402220 537853107 /nfs/dbraw/zinc/85/31/07/537853107.db2.gz UDWXXKVYBUBWKI-UHFFFAOYSA-N 1 0 207.321 2.063 10 0 BEAERO Cc1ccc(N(C)CC[NH3+])c(Br)c1 ZINC000020239782 178697984 /nfs/dbraw/zinc/69/79/84/178697984.db2.gz TUKWZUIKYGXKLW-UHFFFAOYSA-N 1 0 243.148 2.152 10 0 BEAERO CC[C@@]1([C@@H]2CC2(C)C)[NH2+]CCc2nc[nH]c21 ZINC000400399309 537854570 /nfs/dbraw/zinc/85/45/70/537854570.db2.gz SEAWKWRPRJIUPS-MFKMUULPSA-N 1 0 219.332 2.207 10 0 BEAERO Fc1cc(F)c(NC2C[NH2+]C2)c(Cl)c1 ZINC000215731254 349915251 /nfs/dbraw/zinc/91/52/51/349915251.db2.gz OEEOEIDUDHRQQY-UHFFFAOYSA-N 1 0 218.634 2.002 10 0 BEAERO c1ccc(CCN2CCC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000115957946 344722688 /nfs/dbraw/zinc/72/26/88/344722688.db2.gz HIJHWAJALGSHLA-HZPDHXFCSA-N 1 0 244.382 2.303 10 0 BEAERO CCC[C@H](C(=O)N1CCC[C@H](CC)C1)[NH+](C)C ZINC000161543293 323076111 /nfs/dbraw/zinc/07/61/11/323076111.db2.gz NUXBVOFGWWVYDR-QWHCGFSZSA-N 1 0 240.391 2.365 10 0 BEAERO Oc1ccc2c(c1)C[N@H+](C1CCC1)CC2 ZINC000221517126 344751944 /nfs/dbraw/zinc/75/19/44/344751944.db2.gz HTCAUWQDCCVNQB-UHFFFAOYSA-N 1 0 203.285 2.303 10 0 BEAERO CCOc1cccc([C@H]2[NH2+]CCS2)c1 ZINC000050522926 344706400 /nfs/dbraw/zinc/70/64/00/344706400.db2.gz JPESHNHMSQLWBW-NSHDSACASA-N 1 0 209.314 2.420 10 0 BEAERO C[NH2+][C@H](c1cnns1)C1CCCCC1 ZINC000158662038 344712105 /nfs/dbraw/zinc/71/21/05/344712105.db2.gz MNVPRBDDTVXRAC-JTQLQIEISA-N 1 0 211.334 2.379 10 0 BEAERO Cc1nn([C@@H](C)CC(N)=[NH2+])c(C)c1Cl ZINC000050586917 344715720 /nfs/dbraw/zinc/71/57/20/344715720.db2.gz CQHUCTKJIKKEJG-YFKPBYRVSA-N 1 0 214.700 2.040 10 0 BEAERO Cc1ccc([C@@](C)(O)[C@H]2CCC[NH2+]2)s1 ZINC000166194321 344779890 /nfs/dbraw/zinc/77/98/90/344779890.db2.gz PHLRTGXPJJUACN-KOLCDFICSA-N 1 0 211.330 2.016 10 0 BEAERO C[C@@H](C[NH3+])Nc1ccc(Br)c(F)c1 ZINC000235107580 344791685 /nfs/dbraw/zinc/79/16/85/344791685.db2.gz DKIXSIJZERAMSL-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO CCC1([NH2+]Cc2cccc(C(N)=O)c2)CCC1 ZINC000135622399 168497116 /nfs/dbraw/zinc/49/71/16/168497116.db2.gz KQUGOYLQTIXTNY-UHFFFAOYSA-N 1 0 232.327 2.208 10 0 BEAERO C[C@@H](C[NH2+]Cc1ccccc1)n1cccn1 ZINC000235142464 344819196 /nfs/dbraw/zinc/81/91/96/344819196.db2.gz XWTXDMZTLQVUKJ-LBPRGKRZSA-N 1 0 215.300 2.234 10 0 BEAERO CC(C)C[C@H]([NH3+])c1nc2cccnc2[nH]1 ZINC000044264183 187293375 /nfs/dbraw/zinc/29/33/75/187293375.db2.gz FJBACVQNYKLTFM-QMMMGPOBSA-N 1 0 204.277 2.004 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000388690440 344850348 /nfs/dbraw/zinc/85/03/48/344850348.db2.gz LQVGFIWEKVXSTE-XQQFMLRXSA-N 1 0 238.375 2.071 10 0 BEAERO CC1(C)CCC([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675053299 537866023 /nfs/dbraw/zinc/86/60/23/537866023.db2.gz MKORRBLROFOCAE-JTQLQIEISA-N 1 0 239.281 2.455 10 0 BEAERO CNc1ccc(Cl)c(C[NH2+]C2CC2)n1 ZINC000166301980 344851787 /nfs/dbraw/zinc/85/17/87/344851787.db2.gz HBUPYPPDVJORCA-UHFFFAOYSA-N 1 0 211.696 2.029 10 0 BEAERO CS[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)[C@@H](C)C2)C1 ZINC000235258365 344859992 /nfs/dbraw/zinc/85/99/92/344859992.db2.gz JCJVQOMZVZVDIL-HBNTYKKESA-N 1 0 227.373 2.181 10 0 BEAERO C[C@H]1S[C@@H]([C@@H]([NH3+])C2CC2)CS[C@H]1C ZINC000235399654 344901972 /nfs/dbraw/zinc/90/19/72/344901972.db2.gz ORQCNIRNVAYPGY-WDQPUEAGSA-N 1 0 217.403 2.349 10 0 BEAERO C(CN1CCCCC1)[NH2+]CC1CCCC1 ZINC000049575111 187294190 /nfs/dbraw/zinc/29/41/90/187294190.db2.gz SELMKUHOWWUIJM-UHFFFAOYSA-N 1 0 210.365 2.252 10 0 BEAERO C[C@H]([NH3+])/C=C/c1occc1Br ZINC000235482156 344923173 /nfs/dbraw/zinc/92/31/73/344923173.db2.gz XDBUSYUBPGYVRU-SZKDQXIBSA-N 1 0 216.078 2.403 10 0 BEAERO C[C@H](C[NH2+][C@H](C)c1ccccc1)N1CCOCC1 ZINC000119577760 187295131 /nfs/dbraw/zinc/29/51/31/187295131.db2.gz SNZHWGMDISSCPX-ZIAGYGMSSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1ccc(N[C@H]2CCC[NH2+]C2)cc1F ZINC000043324321 178778003 /nfs/dbraw/zinc/77/80/03/178778003.db2.gz LYDKHWGKOFOVCF-NSHDSACASA-N 1 0 208.280 2.298 10 0 BEAERO C[C@@H](c1nccs1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000247961272 344991472 /nfs/dbraw/zinc/99/14/72/344991472.db2.gz DYZSHSZRQHOMEM-WDEREUQCSA-N 1 0 239.388 2.278 10 0 BEAERO C[C@H](c1ccco1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000247964680 344992858 /nfs/dbraw/zinc/99/28/58/344992858.db2.gz GVTKPXADRRXCPK-NEPJUHHUSA-N 1 0 222.332 2.272 10 0 BEAERO Cc1cc(C)nc(Oc2ccc(C[NH3+])cc2)n1 ZINC000011849366 345032219 /nfs/dbraw/zinc/03/22/19/345032219.db2.gz KRKHTNHVIDBLLJ-UHFFFAOYSA-N 1 0 229.283 2.344 10 0 BEAERO C[C@@H](c1nccs1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000248081535 345032842 /nfs/dbraw/zinc/03/28/42/345032842.db2.gz PRAXBTLRTGCXAK-QWRGUYRKSA-N 1 0 239.388 2.136 10 0 BEAERO Cc1cc(C)c2c(c1)c(C)cc(=O)n2C[C@H](C)[NH3+] ZINC000011849649 345032859 /nfs/dbraw/zinc/03/28/59/345032859.db2.gz ODOUOFLRVRJBHY-LBPRGKRZSA-N 1 0 244.338 2.274 10 0 BEAERO Cc1cc(C)n(C[C@H]([NH3+])c2cccs2)n1 ZINC000011850013 345033596 /nfs/dbraw/zinc/03/35/96/345033596.db2.gz MAYLWFBONQSHDV-JTQLQIEISA-N 1 0 221.329 2.261 10 0 BEAERO CC(=O)Nc1ccc2c(c1)OC(C)(C)C[C@H]2[NH3+] ZINC000011848995 345034118 /nfs/dbraw/zinc/03/41/18/345034118.db2.gz ZWTJPCCFUNGMQI-LLVKDONJSA-N 1 0 234.299 2.206 10 0 BEAERO C[C@H]1CC[C@@]2(CO1)[NH2+]CCc1sccc12 ZINC000401665799 537886830 /nfs/dbraw/zinc/88/68/30/537886830.db2.gz OCIRUKWMWJAWCS-CABZTGNLSA-N 1 0 223.341 2.288 10 0 BEAERO Cc1ccc(O[C@@H](C[NH3+])c2ccccc2)cn1 ZINC000052596116 178817834 /nfs/dbraw/zinc/81/78/34/178817834.db2.gz OYBXURASKHFVSY-AWEZNQCLSA-N 1 0 228.295 2.469 10 0 BEAERO C[C@@H](Cc1ncc[nH]1)O[C@@H]1C[C@H](C)CCC1=O ZINC000428190183 345079041 /nfs/dbraw/zinc/07/90/41/345079041.db2.gz XMRDPOXURYNPMM-JFGNBEQYSA-N 1 0 236.315 2.115 10 0 BEAERO N[C@@H](C[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000044469094 345084936 /nfs/dbraw/zinc/08/49/36/345084936.db2.gz AHOCQBHKYVGQMC-HNNXBMFYSA-N 1 0 242.322 2.224 10 0 BEAERO Cc1ccc(Oc2ccnc(C[NH3+])c2)cn1 ZINC000051521926 178822035 /nfs/dbraw/zinc/82/20/35/178822035.db2.gz LGZPVCGVMBAFCG-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2CC2)cc1 ZINC000037889341 178814575 /nfs/dbraw/zinc/81/45/75/178814575.db2.gz JZOJJBNUGHNYIQ-TZMCWYRMSA-N 1 0 249.354 2.123 10 0 BEAERO Cc1ccc(OC[C@H]2CCOC2)c([C@@H](C)[NH3+])c1 ZINC000041079281 178815086 /nfs/dbraw/zinc/81/50/86/178815086.db2.gz RAQVEOGXUNFTFM-NEPJUHHUSA-N 1 0 235.327 2.430 10 0 BEAERO C[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1Cl ZINC000011958142 345089424 /nfs/dbraw/zinc/08/94/24/345089424.db2.gz WYFYOSYEETWHQE-YFKPBYRVSA-N 1 0 233.098 2.279 10 0 BEAERO [NH3+]Cc1c(Cl)cncc1OC(F)(F)F ZINC000238603347 345089631 /nfs/dbraw/zinc/08/96/31/345089631.db2.gz VTQNYQYLIGMELF-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Nc1[nH]c2ccc(F)c(Br)c2[nH+]1 ZINC000238610090 345092170 /nfs/dbraw/zinc/09/21/70/345092170.db2.gz NMOQBCYKVMUALO-UHFFFAOYSA-N 1 0 230.040 2.047 10 0 BEAERO CC(C)(C)[C@H]1[NH2+][C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000248271577 345095389 /nfs/dbraw/zinc/09/53/89/345095389.db2.gz QEVWIWYBRGIBPE-RHYQMDGZSA-N 1 0 238.375 2.055 10 0 BEAERO [NH3+]Cc1cc(OC(F)(F)F)ncc1Cl ZINC000238675717 345106708 /nfs/dbraw/zinc/10/67/08/345106708.db2.gz BIFZEJFKZYWMBX-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO [NH3+][C@H](CF)c1ccc(O)c(Br)c1 ZINC000238685056 345109409 /nfs/dbraw/zinc/10/94/09/345109409.db2.gz OFRAKNLIUVABPQ-SSDOTTSWSA-N 1 0 234.068 2.124 10 0 BEAERO Cc1ccc(F)c([C@H]2C[C@H]([NH3+])CCN2C)c1 ZINC000675054094 537891128 /nfs/dbraw/zinc/89/11/28/537891128.db2.gz LPOZPQDTMCCVBX-ZWNOBZJWSA-N 1 0 222.307 2.228 10 0 BEAERO c1nc2c([nH]1)[C@H](C1CCCCC1)[NH2+]CC2 ZINC000071478808 537894251 /nfs/dbraw/zinc/89/42/51/537894251.db2.gz QYCAPCVZIYWAAR-NSHDSACASA-N 1 0 205.305 2.177 10 0 BEAERO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)C(C)(C)C ZINC000132155588 345319867 /nfs/dbraw/zinc/31/98/67/345319867.db2.gz JFOMBCZZWMSEQT-MNOVXSKESA-N 1 0 249.420 2.224 10 0 BEAERO CCC[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000227670204 345263504 /nfs/dbraw/zinc/26/35/04/345263504.db2.gz MQZRDGVMXKMALR-JTQLQIEISA-N 1 0 230.352 2.289 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1ccco1 ZINC000130791039 345283195 /nfs/dbraw/zinc/28/31/95/345283195.db2.gz TYJDRBADUBOMTG-CYBMUJFWSA-N 1 0 236.359 2.490 10 0 BEAERO CC(=O)CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103481101 187302285 /nfs/dbraw/zinc/30/22/85/187302285.db2.gz AFVCEHAAUBMBJE-CQSZACIVSA-N 1 0 232.327 2.152 10 0 BEAERO Cc1ccc([C@@H](C[NH3+])n2cc(Cl)cn2)cc1 ZINC000042906780 178855612 /nfs/dbraw/zinc/85/56/12/178855612.db2.gz RKUXUFCDGARJQE-GFCCVEGCSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1ccc([C@@H](C[NH3+])n2ncc3ccccc32)o1 ZINC000050524418 178856144 /nfs/dbraw/zinc/85/61/44/178856144.db2.gz ZNBOFIDCSCIQDY-CYBMUJFWSA-N 1 0 241.294 2.486 10 0 BEAERO Cc1ccc([C@@H](C[NH3+])OC[C@H]2CCCO2)cc1 ZINC000042906975 178856821 /nfs/dbraw/zinc/85/68/21/178856821.db2.gz WVCBUMJBOFOHLV-ZIAGYGMSSA-N 1 0 235.327 2.190 10 0 BEAERO CCOC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000053884570 1172060636 /nfs/dbraw/zinc/06/06/36/1172060636.db2.gz ARVNRONGICIVHT-OCCSQVGLSA-N 1 0 241.375 2.038 10 0 BEAERO CCC(C)(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000159118533 345410634 /nfs/dbraw/zinc/41/06/34/345410634.db2.gz ICFHSGDYSTXLDW-RYUDHWBXSA-N 1 0 240.391 2.268 10 0 BEAERO CCSCC[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000133936803 345391843 /nfs/dbraw/zinc/39/18/43/345391843.db2.gz WVCHGSLGOWAXLX-GHMZBOCLSA-N 1 0 246.420 2.008 10 0 BEAERO CCC[C@H](C)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000051323776 345401288 /nfs/dbraw/zinc/40/12/88/345401288.db2.gz SCDCKCMMAAOFRY-WDEREUQCSA-N 1 0 215.337 2.164 10 0 BEAERO CCC[C@@H](C)C[N@H+](CC(=O)OC)C(C)C ZINC000051323742 345401498 /nfs/dbraw/zinc/40/14/98/345401498.db2.gz KGHARWKIPRPQOJ-LLVKDONJSA-N 1 0 215.337 2.306 10 0 BEAERO Cc1cnn([C@@H](c2ccc(C)cc2)[C@H](C)[NH3+])c1 ZINC000042910195 178870734 /nfs/dbraw/zinc/87/07/34/178870734.db2.gz DREPEYFGSKMUDM-GXTWGEPZSA-N 1 0 229.327 2.437 10 0 BEAERO CC1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136136729 345479900 /nfs/dbraw/zinc/47/99/00/345479900.db2.gz RCIPVUIXGYMZHN-YIZWMMSDSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CC[C@@H]([NH2+]CCC(N)=O)c2ccccc21 ZINC000136958712 345565269 /nfs/dbraw/zinc/56/52/69/345565269.db2.gz SGEPSRPQDJWQJU-GXFFZTMASA-N 1 0 232.327 2.090 10 0 BEAERO Cc1cc([C@H](O)[C@H]([NH3+])CC(C)C)cc(C)c1O ZINC000054929295 345565354 /nfs/dbraw/zinc/56/53/54/345565354.db2.gz OAGXCCZCPKDGDZ-OCCSQVGLSA-N 1 0 237.343 2.416 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1cc(F)ccc1F ZINC000054929342 345565631 /nfs/dbraw/zinc/56/56/31/345565631.db2.gz WOQLZBYKWTVNJV-NEPJUHHUSA-N 1 0 229.270 2.372 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CC2)cc1C ZINC000036782347 178887651 /nfs/dbraw/zinc/88/76/51/178887651.db2.gz GIZMVZZTWPMCIP-LBPRGKRZSA-N 1 0 246.354 2.233 10 0 BEAERO C[C@@H](c1ccccn1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000253612723 345692863 /nfs/dbraw/zinc/69/28/63/345692863.db2.gz CWLSWRDMSDFMJF-QWHCGFSZSA-N 1 0 233.359 2.217 10 0 BEAERO Cc1ccc2c(cc(F)cc2N2CC[NH2+]CC2)n1 ZINC000113820157 345755148 /nfs/dbraw/zinc/75/51/48/345755148.db2.gz SUMCLKYERGMWOE-UHFFFAOYSA-N 1 0 245.301 2.092 10 0 BEAERO Cc1ccc([C@H](O)C[NH2+]C(C)C)cc1C ZINC000049814007 178913967 /nfs/dbraw/zinc/91/39/67/178913967.db2.gz CLWGTSXQVPJMOG-CYBMUJFWSA-N 1 0 207.317 2.335 10 0 BEAERO [NH3+]CCc1c[nH]c2c1cc(F)c(F)c2F ZINC000147556748 345757178 /nfs/dbraw/zinc/75/71/78/345757178.db2.gz CVQWCGCDFNERKS-UHFFFAOYSA-N 1 0 214.190 2.086 10 0 BEAERO Cc1ccc([C@H](O)CC[NH2+]CC(C)C)cc1N ZINC000098126176 178911542 /nfs/dbraw/zinc/91/15/42/178911542.db2.gz OZAMEQWACCSHLI-CQSZACIVSA-N 1 0 236.359 2.246 10 0 BEAERO [NH3+]C[C@@]1(c2ccccc2)CCCC2(C1)OCCO2 ZINC000168541684 345820291 /nfs/dbraw/zinc/82/02/91/345820291.db2.gz LMJFAXJCZHHOSP-CQSZACIVSA-N 1 0 247.338 2.200 10 0 BEAERO c1cn(C[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000258070922 345779943 /nfs/dbraw/zinc/77/99/43/345779943.db2.gz HHUDKFZAZBEHRH-NSHDSACASA-N 1 0 215.300 2.036 10 0 BEAERO C[C@H]1CO[C@H](c2csc(Cl)c2)C[NH2+]1 ZINC000235710334 345783622 /nfs/dbraw/zinc/78/36/22/345783622.db2.gz LSERJZILOLLMQI-XPUUQOCRSA-N 1 0 217.721 2.451 10 0 BEAERO [NH3+]Cc1ncccc1COCc1ccccc1 ZINC000061657170 345802472 /nfs/dbraw/zinc/80/24/72/345802472.db2.gz MYXHTRUSSWAQBO-UHFFFAOYSA-N 1 0 228.295 2.257 10 0 BEAERO Cc1ccc([C@H](O)C(C)(C)[NH3+])cc1Cl ZINC000235756528 345843953 /nfs/dbraw/zinc/84/39/53/345843953.db2.gz OVAIEUJSCRTMRL-JTQLQIEISA-N 1 0 213.708 2.419 10 0 BEAERO Fc1ccc(F)c([C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000219607995 345859170 /nfs/dbraw/zinc/85/91/70/345859170.db2.gz SMQYQMQTCFRHEJ-OIBJUYFYSA-N 1 0 201.191 2.337 10 0 BEAERO CC(C)[C@H]1CN(c2nc3ccccc3o2)CC[NH2+]1 ZINC000141371769 345860071 /nfs/dbraw/zinc/86/00/71/345860071.db2.gz LYLIZKJRTIKTOG-GFCCVEGCSA-N 1 0 245.326 2.262 10 0 BEAERO C[NH+](C)CC[C@H]1Cc2ccc(F)cc2C1=O ZINC000034542373 345831189 /nfs/dbraw/zinc/83/11/89/345831189.db2.gz WFYCEAZMAFJHKY-JTQLQIEISA-N 1 0 221.275 2.132 10 0 BEAERO O[C@@H]1CC[C@@H]2CC[C@H]1[N@@H+]2Cc1ccccc1 ZINC000034431564 345832807 /nfs/dbraw/zinc/83/28/07/345832807.db2.gz FHKHUCUXDIOPGQ-BFHYXJOUSA-N 1 0 217.312 2.174 10 0 BEAERO C#CC[NH2+][C@H]1CCc2cc3sc(N)nc3cc21 ZINC000034456274 345834166 /nfs/dbraw/zinc/83/41/66/345834166.db2.gz BASKSUQYNYUZRG-JTQLQIEISA-N 1 0 243.335 2.089 10 0 BEAERO CC[NH2+]CCCN1CCc2cc(OC)ccc2C1 ZINC000034485835 345835813 /nfs/dbraw/zinc/83/58/13/345835813.db2.gz HUGHQQHVZCGHLT-UHFFFAOYSA-N 1 0 248.370 2.053 10 0 BEAERO Cc1ccc([C@](C)([NH2+]CC(C)C)C(N)=O)cc1C ZINC000037951935 178924723 /nfs/dbraw/zinc/92/47/23/178924723.db2.gz CCNBRCBKWWDAHH-HNNXBMFYSA-N 1 0 248.370 2.250 10 0 BEAERO COc1ccc(C[C@H]2C=CCC[N@@H+]2C)cc1 ZINC000143415100 345865340 /nfs/dbraw/zinc/86/53/40/345865340.db2.gz LIHKEIFCASSTAF-CYBMUJFWSA-N 1 0 217.312 2.498 10 0 BEAERO [NH3+]C1CN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000083634329 345919409 /nfs/dbraw/zinc/91/94/09/345919409.db2.gz SACUPCXFTPXJLZ-UHFFFAOYSA-N 1 0 231.126 2.136 10 0 BEAERO OCCC1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000400943104 345932084 /nfs/dbraw/zinc/93/20/84/345932084.db2.gz BZGHOHFKAYBWQK-OAHLLOKOSA-N 1 0 245.366 2.421 10 0 BEAERO CNc1cc(N2CCCC[C@H]2C)nc(C)[nH+]1 ZINC000087805869 345941235 /nfs/dbraw/zinc/94/12/35/345941235.db2.gz ZKVMCOWSXGSFJV-SECBINFHSA-N 1 0 220.320 2.206 10 0 BEAERO CC(C)n1c([C@H]2CC[NH2+]C2)nc2cccnc21 ZINC000088872070 345945841 /nfs/dbraw/zinc/94/58/41/345945841.db2.gz PBTOXOXUAUZKQA-JTQLQIEISA-N 1 0 230.315 2.089 10 0 BEAERO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000286220697 187361741 /nfs/dbraw/zinc/36/17/41/187361741.db2.gz SILWRFCQJUKEQF-ZYHUDNBSSA-N 1 0 225.311 2.336 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000234829648 537931245 /nfs/dbraw/zinc/93/12/45/537931245.db2.gz LVGUCMMGRLYDTF-XJFOESAGSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1nccn1-c1ccccc1[C@@H](C)[NH3+] ZINC000019872900 187314190 /nfs/dbraw/zinc/31/41/90/187314190.db2.gz LRQQSIAIKWKYAP-SECBINFHSA-N 1 0 201.273 2.200 10 0 BEAERO C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCCC1 ZINC000020073678 187315105 /nfs/dbraw/zinc/31/51/05/187315105.db2.gz YLWCWEKJRCGIJE-MJBXVCDLSA-N 1 0 222.376 2.393 10 0 BEAERO Fc1cc2c(cc1Br)C[NH2+]CCO2 ZINC000148426199 346107974 /nfs/dbraw/zinc/10/79/74/346107974.db2.gz ZHQMMXXETNGOJM-UHFFFAOYSA-N 1 0 246.079 2.070 10 0 BEAERO Cc1ccc2[nH]c(SCCC[NH3+])nc2c1 ZINC000020396585 178979719 /nfs/dbraw/zinc/97/97/19/178979719.db2.gz WEERUMUSHHKCSD-UHFFFAOYSA-N 1 0 221.329 2.312 10 0 BEAERO Cc1ccc2sc(C[C@H]3COCC[NH2+]3)nc2c1 ZINC000076167381 178990783 /nfs/dbraw/zinc/99/07/83/178990783.db2.gz QKGBPBHSHPEHPU-JTQLQIEISA-N 1 0 248.351 2.136 10 0 BEAERO Cc1cccc(-c2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158770 178996517 /nfs/dbraw/zinc/99/65/17/178996517.db2.gz MIUAJSYAYKXBSS-SECBINFHSA-N 1 0 217.272 2.107 10 0 BEAERO CCCC[P@@](=O)(CCC[NH3+])OCC ZINC000034061703 346192531 /nfs/dbraw/zinc/19/25/31/346192531.db2.gz QBIGZUJYFZQPBX-ZDUSSCGKSA-N 1 0 207.254 2.450 10 0 BEAERO NC(=[NH2+])c1ccc(Br)c(Cl)c1 ZINC000236262042 346218189 /nfs/dbraw/zinc/21/81/89/346218189.db2.gz KHWMLJKETGVHRU-UHFFFAOYSA-N 1 0 233.496 2.387 10 0 BEAERO [NH3+][C@H]1CC[C@@H]1c1cnc(C(F)(F)F)s1 ZINC000236329969 346226027 /nfs/dbraw/zinc/22/60/27/346226027.db2.gz AIVAXDCAPLSPMN-WHFBIAKZSA-N 1 0 222.235 2.367 10 0 BEAERO Cc1nn(C)cc1C[NH2+]CC1CCCCC1 ZINC000011920323 187317648 /nfs/dbraw/zinc/31/76/48/187317648.db2.gz WMMVLVGPZXFLSA-UHFFFAOYSA-N 1 0 221.348 2.398 10 0 BEAERO C[NH2+]C[C@@H](C)c1ncc(Br)s1 ZINC000167376827 346242168 /nfs/dbraw/zinc/24/21/68/346242168.db2.gz ROTSKCDOPUGOJQ-RXMQYKEDSA-N 1 0 235.150 2.229 10 0 BEAERO Cc1cccc(C(=O)NC[C@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000051573009 179018092 /nfs/dbraw/zinc/01/80/92/179018092.db2.gz FUAQBNQJPGYHML-TZMCWYRMSA-N 1 0 246.354 2.255 10 0 BEAERO C[C@@](O)(COCc1ccccc1)C1(C[NH3+])CCC1 ZINC000669377629 537964680 /nfs/dbraw/zinc/96/46/80/537964680.db2.gz VJOROPXPNZNZCZ-CQSZACIVSA-N 1 0 249.354 2.083 10 0 BEAERO O=C1CCc2ccccc2N1CC[NH+]1CCCC1 ZINC000167636800 346293642 /nfs/dbraw/zinc/29/36/42/346293642.db2.gz IJTCXPVWORMZCQ-UHFFFAOYSA-N 1 0 244.338 2.062 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]C2CC(CO)C2)CC1 ZINC000641771733 362709760 /nfs/dbraw/zinc/70/97/60/362709760.db2.gz BQTCJLNLNJPVAU-QCXCNERSSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1sccc1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000227792472 346340800 /nfs/dbraw/zinc/34/08/00/346340800.db2.gz KTVRVIBNBKLCJV-KOLCDFICSA-N 1 0 211.330 2.483 10 0 BEAERO Cc1cccc(CCNc2[nH+]ccn2C)c1 ZINC000051670451 179061803 /nfs/dbraw/zinc/06/18/03/179061803.db2.gz ASLCKLIOZDNLQQ-UHFFFAOYSA-N 1 0 215.300 2.383 10 0 BEAERO CC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C)C2)C(C)(C)C1 ZINC000336467257 187368554 /nfs/dbraw/zinc/36/85/54/187368554.db2.gz VREXJRVXOAHYHS-WCQYABFASA-N 1 0 238.375 2.118 10 0 BEAERO Cc1cccc(CN2CCC[NH2+][C@H](C)C2)c1 ZINC000062609096 179074690 /nfs/dbraw/zinc/07/46/90/179074690.db2.gz DEYSSRPXHOJXDJ-CYBMUJFWSA-N 1 0 218.344 2.179 10 0 BEAERO COc1nsc(OC)c1[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669379507 537979914 /nfs/dbraw/zinc/97/99/14/537979914.db2.gz FBGGNBSDNNWXJW-HTQZYQBOSA-N 1 0 242.344 2.016 10 0 BEAERO Cc1cccc(CNC2=[NH+]CCS2)c1C ZINC000083350862 179087846 /nfs/dbraw/zinc/08/78/46/179087846.db2.gz LSZBPMAKJLDTCT-UHFFFAOYSA-N 1 0 220.341 2.496 10 0 BEAERO Cc1cccc(C[NH2+]C[C@H]2CCC=CO2)n1 ZINC000051575552 179093745 /nfs/dbraw/zinc/09/37/45/179093745.db2.gz LVARPJJRTVWIPD-CYBMUJFWSA-N 1 0 218.300 2.172 10 0 BEAERO [NH3+][C@@H](CC1OCCO1)c1sccc1Cl ZINC000229963710 346484448 /nfs/dbraw/zinc/48/44/48/346484448.db2.gz LRSYBCGXKFEMLI-ZETCQYMHSA-N 1 0 233.720 2.164 10 0 BEAERO Brc1ccc(/C=C2/CC[NH2+]C2)nc1 ZINC000161904905 346502562 /nfs/dbraw/zinc/50/25/62/346502562.db2.gz VAESVDKRXQSBRU-YVMONPNESA-N 1 0 239.116 2.221 10 0 BEAERO CCC(CC)[NH2+][C@@H]1C[C@@H]2CCCCN2C1 ZINC000725241905 537981967 /nfs/dbraw/zinc/98/19/67/537981967.db2.gz VTTKHQBNQVMILI-OLZOCXBDSA-N 1 0 210.365 2.391 10 0 BEAERO Cc1cccc(C[C@@H]([NH3+])c2cncnc2)c1 ZINC000052887398 179104412 /nfs/dbraw/zinc/10/44/12/179104412.db2.gz DUNMSTKOMOUJJI-CYBMUJFWSA-N 1 0 213.284 2.028 10 0 BEAERO Cc1cccc(C[C@@H]([NH3+])c2cnccn2)c1 ZINC000037467133 179104677 /nfs/dbraw/zinc/10/46/77/179104677.db2.gz GLNFUIWFLWWHPY-GFCCVEGCSA-N 1 0 213.284 2.028 10 0 BEAERO Cc1cccc(C[C@@H]2CSCC[NH2+]2)c1 ZINC000071510903 179104758 /nfs/dbraw/zinc/10/47/58/179104758.db2.gz HNDRMDLJOFSDBZ-GFCCVEGCSA-N 1 0 207.342 2.243 10 0 BEAERO Cc1cccc(C[C@@H]2C[NH2+]CCS2)c1 ZINC000071510913 179104967 /nfs/dbraw/zinc/10/49/67/179104967.db2.gz BLXNMNSSCAFTIU-GFCCVEGCSA-N 1 0 207.342 2.243 10 0 BEAERO Cc1cccc(C[C@@H]([NH3+])c2ncccn2)c1 ZINC000037467244 179104988 /nfs/dbraw/zinc/10/49/88/179104988.db2.gz LZCIZERQBBUPQL-GFCCVEGCSA-N 1 0 213.284 2.028 10 0 BEAERO Cc1cccc(N(C)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000062912264 179115224 /nfs/dbraw/zinc/11/52/24/179115224.db2.gz ILPCDWJKPFGEPW-AWEZNQCLSA-N 1 0 218.344 2.431 10 0 BEAERO Cc1cccc(N(C)[C@@H](C[NH3+])C2CCOCC2)c1 ZINC000052177981 179118239 /nfs/dbraw/zinc/11/82/39/179118239.db2.gz MRGDQUZVWDVHFX-HNNXBMFYSA-N 1 0 248.370 2.185 10 0 BEAERO Cc1cccc(Cn2cc(CCC[NH3+])cn2)c1 ZINC000071192938 179109982 /nfs/dbraw/zinc/10/99/82/179109982.db2.gz ZDLHZNQSELAGGN-UHFFFAOYSA-N 1 0 229.327 2.131 10 0 BEAERO CCN(CCC[NH3+])c1ccc(F)c(F)c1 ZINC000020239394 259391956 /nfs/dbraw/zinc/39/19/56/259391956.db2.gz KLXAFPVAUAVZPY-UHFFFAOYSA-N 1 0 214.259 2.140 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1cc(Cl)ccc1F ZINC000163825333 346578354 /nfs/dbraw/zinc/57/83/54/346578354.db2.gz VHISIFVSYDZDKS-NXEZZACHSA-N 1 0 215.655 2.268 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1cc(Cl)ccc1F ZINC000163825551 346578549 /nfs/dbraw/zinc/57/85/49/346578549.db2.gz VHISIFVSYDZDKS-VHSXEESVSA-N 1 0 215.655 2.268 10 0 BEAERO Cc1cccc(N2CC[NH2+]C[C@H](C)C2)c1 ZINC000049661747 179122021 /nfs/dbraw/zinc/12/20/21/179122021.db2.gz ZTTYQUWQHDVMKK-LBPRGKRZSA-N 1 0 204.317 2.041 10 0 BEAERO CCN(CCC[NH3+])c1cc(C)ccc1C ZINC000020240157 259392216 /nfs/dbraw/zinc/39/22/16/259392216.db2.gz RYTSSEUDACUTJJ-UHFFFAOYSA-N 1 0 206.333 2.479 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1ccc(F)c(Cl)c1 ZINC000164018531 346586687 /nfs/dbraw/zinc/58/66/87/346586687.db2.gz SOPVPNFCJMQODM-ZCFIWIBFSA-N 1 0 215.655 2.399 10 0 BEAERO Cc1cc(F)c(C(=O)C[C@H](C)[NH3+])cc1F ZINC000164046041 346588518 /nfs/dbraw/zinc/58/85/18/346588518.db2.gz WOBHJMDLNCJLTQ-ZETCQYMHSA-N 1 0 213.227 2.193 10 0 BEAERO C[C@H]1C[N@H+](C)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000199779763 346589751 /nfs/dbraw/zinc/58/97/51/346589751.db2.gz WFNALLOMRMDNSP-GXFFZTMASA-N 1 0 239.746 2.499 10 0 BEAERO C[C@@H]([NH3+])C[C@H](O)c1cccc(Br)c1 ZINC000164166451 346593990 /nfs/dbraw/zinc/59/39/90/346593990.db2.gz FBCYDXXZESUMPF-XCBNKYQSSA-N 1 0 244.132 2.220 10 0 BEAERO CCn1ccnc1C[S@](=O)C1CCCC1 ZINC000177291467 346595825 /nfs/dbraw/zinc/59/58/25/346595825.db2.gz FOCOOPAZHKKDDO-HNNXBMFYSA-N 1 0 226.345 2.094 10 0 BEAERO COC[C@@H]([NH3+])c1csc(Br)c1 ZINC000164308257 346599699 /nfs/dbraw/zinc/59/96/99/346599699.db2.gz QHCFEHKUEPZUKG-ZCFIWIBFSA-N 1 0 236.134 2.157 10 0 BEAERO Cc1cncc([C@H]([NH3+])[C@H]2CCSC2)c1 ZINC000164743736 346622134 /nfs/dbraw/zinc/62/21/34/346622134.db2.gz VZUNEZHIQMNYBP-GXSJLCMTSA-N 1 0 208.330 2.143 10 0 BEAERO Cc1cncc([C@@H]([NH3+])[C@H]2CCSC2)c1 ZINC000164743850 346622146 /nfs/dbraw/zinc/62/21/46/346622146.db2.gz VZUNEZHIQMNYBP-ONGXEEELSA-N 1 0 208.330 2.143 10 0 BEAERO C[C@]1([C@@H]([NH3+])Cc2nccs2)CCCS1 ZINC000164533447 346608047 /nfs/dbraw/zinc/60/80/47/346608047.db2.gz DTLZRWOQRJDGOO-WCBMZHEXSA-N 1 0 228.386 2.299 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1nc2ccccc2o1 ZINC000165731179 346657288 /nfs/dbraw/zinc/65/72/88/346657288.db2.gz NUMRTJXESLFDQC-IUCAKERBSA-N 1 0 219.288 2.366 10 0 BEAERO Cc1cccc(NC(=O)C[C@H](C)C[NH3+])c1C ZINC000076610228 179129122 /nfs/dbraw/zinc/12/91/22/179129122.db2.gz XYZWVYKTJAFDSU-VIFPVBQESA-N 1 0 220.316 2.227 10 0 BEAERO Cc1cccc(NC(=O)N(C)[C@H](C)CC[NH3+])c1 ZINC000063086197 179131028 /nfs/dbraw/zinc/13/10/28/179131028.db2.gz VKKSIYNKMURRKX-LLVKDONJSA-N 1 0 235.331 2.196 10 0 BEAERO CCNc1cccc(Br)c1C[NH3+] ZINC000164949374 346634452 /nfs/dbraw/zinc/63/44/52/346634452.db2.gz HAMZKPKFTMBUPY-UHFFFAOYSA-N 1 0 229.121 2.340 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000019517110 179138948 /nfs/dbraw/zinc/13/89/48/179138948.db2.gz NSETVEYXEVMFNK-NWDGAFQWSA-N 1 0 232.327 2.322 10 0 BEAERO Cc1cccc(NC(=O)[C@@](C)([NH3+])C2CC2)c1 ZINC000037478833 179139997 /nfs/dbraw/zinc/13/99/97/179139997.db2.gz NIGPXTSKVFLEBM-ZDUSSCGKSA-N 1 0 218.300 2.061 10 0 BEAERO Cc1cccc(OCCO[C@H](C)C[NH3+])c1C ZINC000074527845 179169696 /nfs/dbraw/zinc/16/96/96/179169696.db2.gz WRDFBJFHCYCMGI-LLVKDONJSA-N 1 0 223.316 2.046 10 0 BEAERO Cc1nc(C[NH2+]CC2CC2)c2n1CCCC2 ZINC000378397162 346792279 /nfs/dbraw/zinc/79/22/79/346792279.db2.gz PJUIMNFBDLMOJX-UHFFFAOYSA-N 1 0 219.332 2.027 10 0 BEAERO Cc1cccc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000051918402 179170029 /nfs/dbraw/zinc/17/00/29/179170029.db2.gz YXOJZFWMONXCLU-GFCCVEGCSA-N 1 0 220.316 2.159 10 0 BEAERO Cc1cccc(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000041266046 179168719 /nfs/dbraw/zinc/16/87/19/179168719.db2.gz IBTZJNPWUGIKRC-CQSZACIVSA-N 1 0 235.327 2.142 10 0 BEAERO C[C@H](c1ccccc1)N1C[C@H]([NH3+])C2(CC2)C1 ZINC000038768145 347163867 /nfs/dbraw/zinc/16/38/67/347163867.db2.gz LQXLEBQQOBROTO-YPMHNXCESA-N 1 0 216.328 2.171 10 0 BEAERO Cc1cccc([C@@H]([NH3+])CC2(C)OCCO2)c1 ZINC000041237204 179184062 /nfs/dbraw/zinc/18/40/62/179184062.db2.gz VEQYSIMQPLHCPH-LBPRGKRZSA-N 1 0 221.300 2.148 10 0 BEAERO Cc1nc(S[C@H](C[NH3+])c2cccc(C)c2)n[nH]1 ZINC000042970503 179184800 /nfs/dbraw/zinc/18/48/00/179184800.db2.gz GPDCKJFQMKOBOU-LLVKDONJSA-N 1 0 248.355 2.214 10 0 BEAERO Cc1cccc([C@@H](CN)[NH+]2CCCC2)c1C ZINC000043314380 179185127 /nfs/dbraw/zinc/18/51/27/179185127.db2.gz WTEAFYNKRAVLNK-CQSZACIVSA-N 1 0 218.344 2.399 10 0 BEAERO Cc1cccc([C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000032011857 179187750 /nfs/dbraw/zinc/18/77/50/179187750.db2.gz BOWJQDZMXDZQPZ-LBPRGKRZSA-N 1 0 207.317 2.417 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000382257320 347251478 /nfs/dbraw/zinc/25/14/78/347251478.db2.gz WLBALPCFNUYWIR-FVCCEPFGSA-N 1 0 211.349 2.293 10 0 BEAERO Cc1cccc([C@@H]2C[NH2+]CC(C)(C)O2)c1 ZINC000011803102 179190463 /nfs/dbraw/zinc/19/04/63/179190463.db2.gz REDMGMUYIPRGCU-LBPRGKRZSA-N 1 0 205.301 2.435 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000382198369 347229196 /nfs/dbraw/zinc/22/91/96/347229196.db2.gz IXFZPEXJKDAWKA-OJAKKHQRSA-N 1 0 209.333 2.332 10 0 BEAERO C[NH2+][C@H](C)c1ccc(O)cc1Br ZINC000221827442 347232775 /nfs/dbraw/zinc/23/27/75/347232775.db2.gz KBWPQWFFMOWRGB-ZCFIWIBFSA-N 1 0 230.105 2.435 10 0 BEAERO O=C1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000725242900 537987917 /nfs/dbraw/zinc/98/79/17/537987917.db2.gz VPNAONJKRBXQBL-LBPRGKRZSA-N 1 0 221.325 2.232 10 0 BEAERO CC[NH2+]CCCNc1nc(CC)cc(CC)n1 ZINC000310208543 347247573 /nfs/dbraw/zinc/24/75/73/347247573.db2.gz JQHHDDOQUHAGJZ-UHFFFAOYSA-N 1 0 236.363 2.013 10 0 BEAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCOC[C@@H]2C)c1 ZINC000042966201 179204158 /nfs/dbraw/zinc/20/41/58/179204158.db2.gz OZANLYRGZRPEQU-GUTXKFCHSA-N 1 0 248.370 2.104 10 0 BEAERO CCCCOC[C@H](O)C[NH+]1CC(CC)(CC)C1 ZINC000310473063 347288719 /nfs/dbraw/zinc/28/87/19/347288719.db2.gz JFEMJHOJPQTYJR-CYBMUJFWSA-N 1 0 243.391 2.286 10 0 BEAERO CC[C@@H]([NH2+]C[C@](C)(O)CC)c1nccs1 ZINC000119381342 347290011 /nfs/dbraw/zinc/29/00/11/347290011.db2.gz SRHJCFDFXIBYGV-MWLCHTKSSA-N 1 0 228.361 2.345 10 0 BEAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282443817 179197961 /nfs/dbraw/zinc/19/79/61/179197961.db2.gz SBKATQWJQKWORV-SCRDCRAPSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1cccc([C@H](C[NH3+])OC[C@H]2CCOC2)c1 ZINC000042969470 179199282 /nfs/dbraw/zinc/19/92/82/179199282.db2.gz GTMMXBDUKQKZMJ-JSGCOSHPSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1cccc([C@H](CN)[N@H+](C)CC2CC2)c1 ZINC000020225518 179199350 /nfs/dbraw/zinc/19/93/50/179199350.db2.gz VXOPYDHBTBNISH-AWEZNQCLSA-N 1 0 218.344 2.337 10 0 BEAERO Fc1cccc(CNC2=[NH+]CCS2)c1 ZINC000013858467 362811974 /nfs/dbraw/zinc/81/19/74/362811974.db2.gz RUGKQXUKIAVTSN-UHFFFAOYSA-N 1 0 210.277 2.018 10 0 BEAERO CCCCC[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242837 537989114 /nfs/dbraw/zinc/98/91/14/537989114.db2.gz XKMVULVRJWLYKK-ZDUSSCGKSA-N 1 0 221.348 2.361 10 0 BEAERO Cc1cccc2c([C@H](C[NH3+])N(C)C)c[nH]c21 ZINC000082596844 179211754 /nfs/dbraw/zinc/21/17/54/179211754.db2.gz CEUIXMIYVWQYKE-LBPRGKRZSA-N 1 0 217.316 2.038 10 0 BEAERO CCCC[N@H+](CC)C[C@H](N)CC(C)C ZINC000020072977 347403003 /nfs/dbraw/zinc/40/30/03/347403003.db2.gz MMGJJAGIUWQUPY-GFCCVEGCSA-N 1 0 200.370 2.482 10 0 BEAERO C[C@@]1(CN2CC[N@@H+]3CCC[C@H]3C2)CCCS1 ZINC000250789663 362820520 /nfs/dbraw/zinc/82/05/20/362820520.db2.gz IBSDPYGDUNCBNZ-STQMWFEESA-N 1 0 240.416 2.052 10 0 BEAERO Cc1ccccc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158755 179237682 /nfs/dbraw/zinc/23/76/82/179237682.db2.gz OBPNGMFKIRBHRX-VIFPVBQESA-N 1 0 217.272 2.107 10 0 BEAERO C[C@H](O[C@@H]1CCCC[C@H]1[NH3+])C(F)(F)F ZINC000251021312 362832296 /nfs/dbraw/zinc/83/22/96/362832296.db2.gz DCBMNVPNVMMKKR-XLPZGREQSA-N 1 0 211.227 2.224 10 0 BEAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCCCC1 ZINC000616568331 347446751 /nfs/dbraw/zinc/44/67/51/347446751.db2.gz ATMWQHRGNJXOCW-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616568403 347447092 /nfs/dbraw/zinc/44/70/92/347447092.db2.gz BFUKOPXYQCFCOB-OLZOCXBDSA-N 1 0 240.391 2.173 10 0 BEAERO Cc1ccccc1-n1cc(CCC[NH3+])cn1 ZINC000054670356 179240805 /nfs/dbraw/zinc/24/08/05/179240805.db2.gz HDDIIAHGXOXNHK-UHFFFAOYSA-N 1 0 215.300 2.072 10 0 BEAERO Cc1ccccc1C(=O)CC[N@@H+]1CCCOCC1 ZINC000061934048 179246439 /nfs/dbraw/zinc/24/64/39/179246439.db2.gz SDUQWONIRXWIBP-UHFFFAOYSA-N 1 0 247.338 2.290 10 0 BEAERO Cc1ccccc1C(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019424591 179250008 /nfs/dbraw/zinc/25/00/08/179250008.db2.gz AMEFWKNTKFXKGU-ZDUSSCGKSA-N 1 0 246.354 2.257 10 0 BEAERO Cc1ccccc1C(=O)NC[C@@H]1[NH2+]CCC[C@@H]1C ZINC000071338507 179250250 /nfs/dbraw/zinc/25/02/50/179250250.db2.gz XSHAFEJUWMSNQS-JSGCOSHPSA-N 1 0 246.354 2.113 10 0 BEAERO C[NH2+]Cc1csc([C@H]2CC[C@H](C)O2)n1 ZINC000149939346 347570326 /nfs/dbraw/zinc/57/03/26/347570326.db2.gz WRJISYHYEIFNPA-IONNQARKSA-N 1 0 212.318 2.103 10 0 BEAERO Cc1ccccc1CN(C)[C@H]1CCC[C@@H]1[NH3+] ZINC000042436032 179270718 /nfs/dbraw/zinc/27/07/18/179270718.db2.gz GQXZYQXXBBFNNQ-KBPBESRZSA-N 1 0 218.344 2.307 10 0 BEAERO Nc1ccc(C[NH3+])cc1-c1cccs1 ZINC000669380775 537992095 /nfs/dbraw/zinc/99/20/95/537992095.db2.gz WIBGYAYJOWIEON-UHFFFAOYSA-N 1 0 204.298 2.456 10 0 BEAERO Cc1ccccc1CN(C)CC[NH2+]C(C)C ZINC000042307396 179269864 /nfs/dbraw/zinc/26/98/64/179269864.db2.gz RYWZRGFWHLQTRJ-UHFFFAOYSA-N 1 0 220.360 2.425 10 0 BEAERO Cc1ccccc1CNC(=O)C1(C)CC[NH2+]CC1 ZINC000062840385 179278822 /nfs/dbraw/zinc/27/88/22/179278822.db2.gz YMDMVEHFLFNFMR-UHFFFAOYSA-N 1 0 246.354 2.001 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000041674899 347798956 /nfs/dbraw/zinc/79/89/56/347798956.db2.gz RRYRLLPKWKGUBC-ZJUUUORDSA-N 1 0 213.346 2.478 10 0 BEAERO Cc1ccccc1N(C)C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000049990846 179294192 /nfs/dbraw/zinc/29/41/92/179294192.db2.gz IPFPHYLYXMKAIA-OLZOCXBDSA-N 1 0 246.354 2.488 10 0 BEAERO Cc1ccccc1N(CCC[NH3+])C(=O)C1CC1 ZINC000020232464 179296093 /nfs/dbraw/zinc/29/60/93/179296093.db2.gz PRXCXRHMDDTRBY-UHFFFAOYSA-N 1 0 232.327 2.087 10 0 BEAERO Cc1ccccc1OCC[NH2+]C[C@@H]1CCCO1 ZINC000006238666 179311037 /nfs/dbraw/zinc/31/10/37/179311037.db2.gz BYLUFMRRFWAKIE-ZDUSSCGKSA-N 1 0 235.327 2.142 10 0 BEAERO CC[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1[NH3+] ZINC000616570199 347914354 /nfs/dbraw/zinc/91/43/54/347914354.db2.gz MJTFPXSCWACKBI-YPMHNXCESA-N 1 0 238.375 2.153 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])Cn1cccc(C)c1=O ZINC000062985914 179324390 /nfs/dbraw/zinc/32/43/90/179324390.db2.gz CLOPZNMMPCUIHW-AWEZNQCLSA-N 1 0 242.322 2.165 10 0 BEAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCOC[C@@H]1C ZINC000043034875 179328589 /nfs/dbraw/zinc/32/85/89/179328589.db2.gz XRXJKDZDBYVLKF-GZBFAFLISA-N 1 0 248.370 2.104 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000148553368 179335594 /nfs/dbraw/zinc/33/55/94/179335594.db2.gz WASMDZZHFZCBIZ-IACUBPJLSA-N 1 0 246.354 2.300 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2cccc3cnccc32)C1 ZINC000616613647 349979217 /nfs/dbraw/zinc/97/92/17/349979217.db2.gz OSJQDQYMQWEECR-ZDUSSCGKSA-N 1 0 242.322 2.016 10 0 BEAERO CCC(C)(C)[NH2+]CC1(COC)CCOCC1 ZINC000669381912 537996030 /nfs/dbraw/zinc/99/60/30/537996030.db2.gz ZXDWAZQXCOZNHD-UHFFFAOYSA-N 1 0 229.364 2.208 10 0 BEAERO Cc1ccccc1[C@@H]1Cc2c(cnn2C)[C@@H]([NH3+])C1 ZINC000072415868 179332314 /nfs/dbraw/zinc/33/23/14/179332314.db2.gz SJZRKNKVKYHUAE-FZMZJTMJSA-N 1 0 241.338 2.458 10 0 BEAERO CCCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616570633 348079254 /nfs/dbraw/zinc/07/92/54/348079254.db2.gz NUHSYONURXERAM-KBPBESRZSA-N 1 0 246.354 2.130 10 0 BEAERO CCCC(=O)N1CC[C@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616570611 348066156 /nfs/dbraw/zinc/06/61/56/348066156.db2.gz NQOMFLFZGIEKGL-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)C[C@@H]1CCN(C(=O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000616570598 348066181 /nfs/dbraw/zinc/06/61/81/348066181.db2.gz NNYGKBWMTIZRCW-RYUDHWBXSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@H](C(=O)N1CC[C@H]2[NH2+]CCC[C@@H]21)C(C)(C)C ZINC000616570583 348068761 /nfs/dbraw/zinc/06/87/61/348068761.db2.gz GZTRXAZNNYMEIQ-UTUOFQBUSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])COC[C@H]1CCOC1 ZINC000049689340 179343532 /nfs/dbraw/zinc/34/35/32/179343532.db2.gz PVUBOTCSJIWUGB-GXTWGEPZSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCO[C@H](C)C1 ZINC000043033465 179346733 /nfs/dbraw/zinc/34/67/33/179346733.db2.gz QXQXFBZLFGZYED-IPYPFGDCSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1nccn1[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043037732 179346977 /nfs/dbraw/zinc/34/69/77/179346977.db2.gz FAKCYUYFGZZVQF-RISCZKNCSA-N 1 0 229.327 2.437 10 0 BEAERO Cc1ccccc1[C@](C)([NH2+]C1CCCC1)C(N)=O ZINC000037969539 179350307 /nfs/dbraw/zinc/35/03/07/179350307.db2.gz METRCDRZQPGONV-HNNXBMFYSA-N 1 0 246.354 2.228 10 0 BEAERO Cc1ccccc1[C@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784344 179351065 /nfs/dbraw/zinc/35/10/65/179351065.db2.gz LLEDXZSNQZQCRP-PSASIEDQSA-N 1 0 233.233 2.092 10 0 BEAERO Cc1ccccc1[S@](=O)C[C@@H]1CCCC[NH2+]1 ZINC000083296188 179351960 /nfs/dbraw/zinc/35/19/60/179351960.db2.gz QBOOZJKYRLEKOO-LRDDRELGSA-N 1 0 237.368 2.245 10 0 BEAERO Cc1ccccc1[S@](=O)C[C@H]1CCCC[NH2+]1 ZINC000083296190 179352444 /nfs/dbraw/zinc/35/24/44/179352444.db2.gz QBOOZJKYRLEKOO-WBMJQRKESA-N 1 0 237.368 2.245 10 0 BEAERO CC[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616590402 349983285 /nfs/dbraw/zinc/98/32/85/349983285.db2.gz PDPVGZNBXZPFMX-NSHDSACASA-N 1 0 204.317 2.349 10 0 BEAERO Cc1cccnc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000227423188 179378805 /nfs/dbraw/zinc/37/88/05/179378805.db2.gz UZRBUSNCIVFJHW-ZIAGYGMSSA-N 1 0 245.370 2.059 10 0 BEAERO CCOC(=O)[C@H](C)[N@H+](C)CCCC1CCC1 ZINC000595374676 348232379 /nfs/dbraw/zinc/23/23/79/348232379.db2.gz AZEGYZPLWDQQGJ-NSHDSACASA-N 1 0 227.348 2.450 10 0 BEAERO Cc1cccnc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000051041270 179394699 /nfs/dbraw/zinc/39/46/99/179394699.db2.gz DFYQRGLTAARHAP-GHMZBOCLSA-N 1 0 205.305 2.072 10 0 BEAERO Cc1cccnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158365817 179395544 /nfs/dbraw/zinc/39/55/44/179395544.db2.gz JPPBQPKXWUUMQF-CHWSQXEVSA-N 1 0 231.343 2.429 10 0 BEAERO Cc1ccn(-c2ccc(C[NH2+]C(C)(C)C)cn2)n1 ZINC000052885167 179399245 /nfs/dbraw/zinc/39/92/45/179399245.db2.gz XZDJYJJJNAOZMY-UHFFFAOYSA-N 1 0 244.342 2.464 10 0 BEAERO Cc1ccn(-c2ccc(F)cc2[C@@H](C)[NH3+])n1 ZINC000052884404 179399461 /nfs/dbraw/zinc/39/94/61/179399461.db2.gz LAULOINZKZEMRE-SECBINFHSA-N 1 0 219.263 2.340 10 0 BEAERO CC1(C)CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000070260442 349984391 /nfs/dbraw/zinc/98/43/91/349984391.db2.gz VWKSTCDEKMSHKM-GFCCVEGCSA-N 1 0 238.375 2.025 10 0 BEAERO C[C@H]1C[N@@H+]([C@H]2CCCC2(C)C)CCC1=O ZINC000251792780 362921424 /nfs/dbraw/zinc/92/14/24/362921424.db2.gz NNOCYVCTNKPCRO-JQWIXIFHSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1ccoc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000164562097 179527202 /nfs/dbraw/zinc/52/72/02/179527202.db2.gz AZGWYSCYKGHOOW-NSHDSACASA-N 1 0 211.305 2.085 10 0 BEAERO Cc1ccsc1[C@@H]([C@H](C)[NH3+])n1ccnc1C ZINC000043249114 179553812 /nfs/dbraw/zinc/55/38/12/179553812.db2.gz JEDSPOTXTWBMMA-GXSJLCMTSA-N 1 0 235.356 2.498 10 0 BEAERO Cc1cnc(N[C@]2(C[NH3+])CCC[C@@H](C)C2)nc1 ZINC000104305384 179643316 /nfs/dbraw/zinc/64/33/16/179643316.db2.gz ZLYVPGITNPJFFB-ZWNOBZJWSA-N 1 0 234.347 2.105 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CCC1=CCCC1 ZINC000308837599 348771453 /nfs/dbraw/zinc/77/14/53/348771453.db2.gz XEMQIMHYOCZKIC-LBPRGKRZSA-N 1 0 211.349 2.483 10 0 BEAERO CC(=O)Nc1ccc(C(=O)[C@@H](C)C[NH+](C)C)cc1 ZINC000198480975 348741026 /nfs/dbraw/zinc/74/10/26/348741026.db2.gz UQYHQZCJEOICST-JTQLQIEISA-N 1 0 248.326 2.025 10 0 BEAERO CC(C)c1cccc2c1NC[C@@]21C[C@H]1[NH3+] ZINC000725247786 538013609 /nfs/dbraw/zinc/01/36/09/538013609.db2.gz YBIFVVKPINJEDY-YPMHNXCESA-N 1 0 202.301 2.204 10 0 BEAERO Cc1c2c(ccc1Cl)[C@@]1(C[C@H]1[NH3+])CN2 ZINC000725247086 538012339 /nfs/dbraw/zinc/01/23/39/538012339.db2.gz GUUNLCLDKACBFW-MWLCHTKSSA-N 1 0 208.692 2.043 10 0 BEAERO CC(C)c1cccc2c1NC[C@]21C[C@@H]1[NH3+] ZINC000725247785 538012765 /nfs/dbraw/zinc/01/27/65/538012765.db2.gz YBIFVVKPINJEDY-WCQYABFASA-N 1 0 202.301 2.204 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000308852026 348857752 /nfs/dbraw/zinc/85/77/52/348857752.db2.gz OPRHNFZOEIDFDI-KWQFWETISA-N 1 0 201.273 2.061 10 0 BEAERO CCOC(=O)c1ccc(Cl)c2c1C[NH2+]CC2 ZINC000669384612 538016499 /nfs/dbraw/zinc/01/64/99/538016499.db2.gz YRSQQBAOQJQSIM-UHFFFAOYSA-N 1 0 239.702 2.162 10 0 BEAERO CC(C)CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000054307866 348974034 /nfs/dbraw/zinc/97/40/34/348974034.db2.gz VFZQYQXXGFVIMA-GFCCVEGCSA-N 1 0 238.375 2.023 10 0 BEAERO CCCCN(C(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000054307924 348974066 /nfs/dbraw/zinc/97/40/66/348974066.db2.gz YXMIIKYLSAAHKN-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1cc([C@@H]2CCC[C@@H](C)[NH2+]2)cc(N)n1 ZINC000669385076 538019767 /nfs/dbraw/zinc/01/97/67/538019767.db2.gz WPLCYFPEILKKHY-KCJUWKMLSA-N 1 0 205.305 2.175 10 0 BEAERO C[C@H]1CCCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000070409702 350001845 /nfs/dbraw/zinc/00/18/45/350001845.db2.gz QVKLDBQHDFCOIM-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO COc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054290237 348962279 /nfs/dbraw/zinc/96/22/79/348962279.db2.gz UFKVRHGVWQMZNA-NSHDSACASA-N 1 0 248.326 2.023 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290708 348962933 /nfs/dbraw/zinc/96/29/33/348962933.db2.gz FVNYDYBCFLUNHX-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290712 348963000 /nfs/dbraw/zinc/96/30/00/348963000.db2.gz FVNYDYBCFLUNHX-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000308881628 349017915 /nfs/dbraw/zinc/01/79/15/349017915.db2.gz QNCJLYODXVEFJF-ONGXEEELSA-N 1 0 211.284 2.028 10 0 BEAERO Cc1cnn([C@@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000042902821 179745081 /nfs/dbraw/zinc/74/50/81/179745081.db2.gz HXLXKWQPTDDOMA-WCQYABFASA-N 1 0 215.300 2.128 10 0 BEAERO Nc1[nH+]ccn1CC[C@H]1CCCC1(F)F ZINC000725249818 538023590 /nfs/dbraw/zinc/02/35/90/538023590.db2.gz ICDGNDXKGQRSEU-MRVPVSSYSA-N 1 0 215.247 2.291 10 0 BEAERO C[C@@H](C(=O)N[C@H]1CC[C@@H]([NH3+])CC1)C(C)(C)C ZINC000616574226 349071352 /nfs/dbraw/zinc/07/13/52/349071352.db2.gz YJJLZYGEJWMVPL-GARJFASQSA-N 1 0 226.364 2.055 10 0 BEAERO CCCC(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616573762 349073078 /nfs/dbraw/zinc/07/30/78/349073078.db2.gz SXJYVLIZRGFESX-JTQLQIEISA-N 1 0 220.316 2.123 10 0 BEAERO CC(C)CC(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616574406 349078060 /nfs/dbraw/zinc/07/80/60/349078060.db2.gz ZJPHWCWVCRFIPM-NSHDSACASA-N 1 0 234.343 2.369 10 0 BEAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000245204786 349078082 /nfs/dbraw/zinc/07/80/82/349078082.db2.gz HENUDNYKZHNMCC-RTCCRHLQSA-N 1 0 240.347 2.136 10 0 BEAERO C/C=C(\C)C(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616571872 349061156 /nfs/dbraw/zinc/06/11/56/349061156.db2.gz ILIFHZXCPKNTBL-LLMHMKPQSA-N 1 0 232.327 2.289 10 0 BEAERO C[C@H](C(=O)Nc1cccnc1C[NH3+])C(C)(C)C ZINC000616572825 349063599 /nfs/dbraw/zinc/06/35/99/349063599.db2.gz PHVYYTNEPIQRIG-SECBINFHSA-N 1 0 235.331 2.161 10 0 BEAERO CC[C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]1[NH3+] ZINC000616572117 349064947 /nfs/dbraw/zinc/06/49/47/349064947.db2.gz UUOMWAKNKDGVFL-TUAOUCFPSA-N 1 0 240.391 2.254 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@H](CC)[C@H]([NH3+])C1 ZINC000616572134 349065192 /nfs/dbraw/zinc/06/51/92/349065192.db2.gz VJXXHCOSSBILCL-SDDRHHMPSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H](C)[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616578438 349124356 /nfs/dbraw/zinc/12/43/56/349124356.db2.gz OIBAFDPABFARDA-PWSUYJOCSA-N 1 0 208.349 2.001 10 0 BEAERO CO[C@]1(COc2cccc(C)c2)CCC[NH2+]C1 ZINC000616578687 349126057 /nfs/dbraw/zinc/12/60/57/349126057.db2.gz NKXGSCWCSPHVLC-CQSZACIVSA-N 1 0 235.327 2.142 10 0 BEAERO Cc1csc(SC[C@H](C)C[NH3+])n1 ZINC000035724609 179791745 /nfs/dbraw/zinc/79/17/45/179791745.db2.gz DPOWTEMIGHIXCD-ZCFIWIBFSA-N 1 0 202.348 2.138 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250315588 349169466 /nfs/dbraw/zinc/16/94/66/349169466.db2.gz MJZWVFDKYJOWKA-XJFOESAGSA-N 1 0 240.391 2.016 10 0 BEAERO CCOc1cccc(C[NH3+])c1OC(F)(F)F ZINC000616580117 349244858 /nfs/dbraw/zinc/24/48/58/349244858.db2.gz MOQRMIPWYAOOQT-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO CCOc1ccc(C[NH3+])cc1OC(F)(F)F ZINC000616580224 349252828 /nfs/dbraw/zinc/25/28/28/349252828.db2.gz ROUPKUSWEOYBQU-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC[NH3+])C1 ZINC000211079337 349256731 /nfs/dbraw/zinc/25/67/31/349256731.db2.gz OSSNTYYCOGURPB-NXEZZACHSA-N 1 0 228.336 2.029 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC[NH3+])C1 ZINC000211079382 349256775 /nfs/dbraw/zinc/25/67/75/349256775.db2.gz OSSNTYYCOGURPB-UWVGGRQHSA-N 1 0 228.336 2.029 10 0 BEAERO CCC(C)(C)[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616580605 349258098 /nfs/dbraw/zinc/25/80/98/349258098.db2.gz YXDQMSMFUBMXIS-RYUDHWBXSA-N 1 0 242.432 2.344 10 0 BEAERO Cc1ccc([C@H]([NH3+])c2cccs2)cn1 ZINC000062949790 349270082 /nfs/dbraw/zinc/27/00/82/349270082.db2.gz RBRKHLJEBCCDGF-NSHDSACASA-N 1 0 204.298 2.500 10 0 BEAERO O=C1CCCC[C@@H]1[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21 ZINC000299895440 349277377 /nfs/dbraw/zinc/27/73/77/349277377.db2.gz HDGHIIMJQRNEFX-SRRSOLGSSA-N 1 0 207.317 2.134 10 0 BEAERO Fc1c2[nH]c3c(c2c(F)c(F)c1F)CC[NH2+]C3 ZINC000725253964 538041852 /nfs/dbraw/zinc/04/18/52/538041852.db2.gz VIZSGIRPJZFKDQ-UHFFFAOYSA-N 1 0 244.191 2.370 10 0 BEAERO CCCC1CCC(C[NH3+])(O[C@H]2CCOC2)CC1 ZINC000104117453 168604082 /nfs/dbraw/zinc/60/40/82/168604082.db2.gz OBHBPWHFOLHCTN-MOKVOYLWSA-N 1 0 241.375 2.480 10 0 BEAERO Cc1nc(C)c(CC[NH2+]C(C)(C)C)c(C)n1 ZINC000054853909 179908994 /nfs/dbraw/zinc/90/89/94/179908994.db2.gz INYXMLFWBSHLFA-UHFFFAOYSA-N 1 0 221.348 2.332 10 0 BEAERO CC(C)N1c2ccccc2NC[C@H]1CC[NH3+] ZINC000616586143 349376553 /nfs/dbraw/zinc/37/65/53/349376553.db2.gz VFPYCFFEURACDU-LLVKDONJSA-N 1 0 219.332 2.044 10 0 BEAERO Cc1nc(C)n(-c2cccc(F)c2[C@H](C)[NH3+])n1 ZINC000041633901 179921246 /nfs/dbraw/zinc/92/12/46/179921246.db2.gz QSZFPTRBMPFKSW-ZETCQYMHSA-N 1 0 234.278 2.043 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccno1 ZINC000616587391 349424728 /nfs/dbraw/zinc/42/47/28/349424728.db2.gz LKMYINHQPTTZAH-CYBMUJFWSA-N 1 0 214.268 2.252 10 0 BEAERO [NH3+]CCN1C[C@@H]2CCCCCN2c2ccccc21 ZINC000216790652 350015696 /nfs/dbraw/zinc/01/56/96/350015696.db2.gz AEROTSYRCLZWGR-ZDUSSCGKSA-N 1 0 245.370 2.214 10 0 BEAERO COc1cc([C@@H](C)[NH2+]CC(C)(C)O)ccc1F ZINC000131514318 191014792 /nfs/dbraw/zinc/01/47/92/191014792.db2.gz MZPCXFRAGTYFBJ-SECBINFHSA-N 1 0 241.306 2.256 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000324541195 323240708 /nfs/dbraw/zinc/24/07/08/323240708.db2.gz RRYBUUBAQHMXCX-NWDGAFQWSA-N 1 0 241.375 2.085 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1CCC=CO1 ZINC000070528344 191003919 /nfs/dbraw/zinc/00/39/19/191003919.db2.gz PQBZICJNCKEXGM-WCQYABFASA-N 1 0 231.295 2.402 10 0 BEAERO CC(=O)c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC000001854853 350082258 /nfs/dbraw/zinc/08/22/58/350082258.db2.gz LMCPLRMTEPSADY-UHFFFAOYSA-N 1 0 230.311 2.475 10 0 BEAERO CC(C)(O)c1ccc([C@H](C[NH3+])CC2CC2)cn1 ZINC000217370986 350052861 /nfs/dbraw/zinc/05/28/61/350052861.db2.gz CZKOUYKBXFNMES-LBPRGKRZSA-N 1 0 234.343 2.151 10 0 BEAERO CC(C)([NH3+])COc1ccnc2ccccc21 ZINC000070838135 350067591 /nfs/dbraw/zinc/06/75/91/350067591.db2.gz PRPTTWJCOFQKIW-UHFFFAOYSA-N 1 0 216.284 2.351 10 0 BEAERO CC[N@@H+]1CC[C@H](c2cccc(CCO)c2)C1 ZINC000616613803 350067624 /nfs/dbraw/zinc/06/76/24/350067624.db2.gz RAVJECMWCTUXHP-AWEZNQCLSA-N 1 0 219.328 2.031 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](c2cccc(CCO)c2)C1 ZINC000616613830 350067935 /nfs/dbraw/zinc/06/79/35/350067935.db2.gz RSTKJEGIZUVFFN-HNNXBMFYSA-N 1 0 233.355 2.419 10 0 BEAERO CC[N@@H+]1CC[C@H](c2cccc3ccnnc32)C1 ZINC000616613835 350068118 /nfs/dbraw/zinc/06/81/18/350068118.db2.gz RXVUNIPMEOVNAK-LBPRGKRZSA-N 1 0 227.311 2.439 10 0 BEAERO CNC(=[NH2+])Cc1ccccc1Br ZINC000062994463 350112866 /nfs/dbraw/zinc/11/28/66/350112866.db2.gz MAWVAXQCZMMNTB-UHFFFAOYSA-N 1 0 227.105 2.188 10 0 BEAERO CN(C(=[NH2+])C(C)(C)C)[C@H]1CCSC1 ZINC000062990190 350100730 /nfs/dbraw/zinc/10/07/30/350100730.db2.gz XLPVOIZWCCUTKB-QMMMGPOBSA-N 1 0 200.351 2.447 10 0 BEAERO CC(C)(C)C(=[NH2+])N1CCCSCC1 ZINC000062993815 350111856 /nfs/dbraw/zinc/11/18/56/350111856.db2.gz ODWKAVTVXPTWJV-UHFFFAOYSA-N 1 0 200.351 2.449 10 0 BEAERO Cc1nc(N)sc1SC[C@@H]1CCCC[NH2+]1 ZINC000043495491 180000316 /nfs/dbraw/zinc/00/03/16/180000316.db2.gz UIXOPWWKAOYPHX-QMMMGPOBSA-N 1 0 243.401 2.268 10 0 BEAERO Cc1nc(N2CCCCCC2)sc1CC[NH3+] ZINC000057529932 180001427 /nfs/dbraw/zinc/00/14/27/180001427.db2.gz SWMXDVLQFGXGHO-UHFFFAOYSA-N 1 0 239.388 2.333 10 0 BEAERO Cc1nc([C@@H](C)[NH2+]CCO)sc1C(C)(C)C ZINC000045205560 180035531 /nfs/dbraw/zinc/03/55/31/180035531.db2.gz HOTWULUPRMXLSG-SECBINFHSA-N 1 0 242.388 2.392 10 0 BEAERO Cc1nc([C@@H]([NH3+])C2CCOCC2)sc1C ZINC000052179398 180039626 /nfs/dbraw/zinc/03/96/26/180039626.db2.gz QPRHSEKSNBJLPH-JTQLQIEISA-N 1 0 226.345 2.186 10 0 BEAERO Cc1nc([C@@]2(N)CC[N@@H+](C(C)C)C2)sc1C ZINC000045659868 180047189 /nfs/dbraw/zinc/04/71/89/180047189.db2.gz NNCALWCDHILDLN-GFCCVEGCSA-N 1 0 239.388 2.028 10 0 BEAERO Cc1nc([C@H](C)N[C@H]2C[N@H+](C)C[C@@H]2C)cs1 ZINC000336731347 180051914 /nfs/dbraw/zinc/05/19/14/180051914.db2.gz FFYBSETZPDNCPO-QXEWZRGKSA-N 1 0 239.388 2.052 10 0 BEAERO Cc1nc([C@H]([NH3+])Cc2ccco2)cs1 ZINC000082376877 180053231 /nfs/dbraw/zinc/05/32/31/180053231.db2.gz SMIQQQQLOSYFLD-SECBINFHSA-N 1 0 208.286 2.287 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)s1 ZINC000132583401 191034200 /nfs/dbraw/zinc/03/42/00/191034200.db2.gz MZBGJMFXKIVBCB-BMIGLBTASA-N 1 0 245.413 2.303 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)s1 ZINC000132582985 191034480 /nfs/dbraw/zinc/03/44/80/191034480.db2.gz MZBGJMFXKIVBCB-MEBBXXQBSA-N 1 0 245.413 2.303 10 0 BEAERO C[C@H](CC[NH2+]C1CCC(C)CC1)[S@](C)=O ZINC000132559773 191034552 /nfs/dbraw/zinc/03/45/52/191034552.db2.gz PZPUPDGPTBQCNR-KBMVZVDUSA-N 1 0 231.405 2.312 10 0 BEAERO C[C@@H](CC[NH2+]Cc1cccc(F)c1)[S@@](C)=O ZINC000132595399 191034692 /nfs/dbraw/zinc/03/46/92/191034692.db2.gz BUOQMFWGIQCNEF-QFYYESIMSA-N 1 0 243.347 2.072 10 0 BEAERO Cc1[nH+]c2cc(C(F)(F)F)ccn2c1N ZINC000082695074 180078588 /nfs/dbraw/zinc/07/85/88/180078588.db2.gz FCVZJBLXCNRXQZ-UHFFFAOYSA-N 1 0 215.178 2.244 10 0 BEAERO Fc1cccc(COC[C@H]2CCC[NH2+]C2)c1F ZINC000051815509 350136153 /nfs/dbraw/zinc/13/61/53/350136153.db2.gz KICFFVDWJNWMCO-JTQLQIEISA-N 1 0 241.281 2.481 10 0 BEAERO [NH2+]=C(NO)C1(n2cccc2)CCCCCC1 ZINC000409438635 350137406 /nfs/dbraw/zinc/13/74/06/350137406.db2.gz DIOFIBZWTGOORL-UHFFFAOYSA-N 1 0 221.304 2.494 10 0 BEAERO C[C@H](C[NH3+])[C@H](O)c1cccc(Br)c1 ZINC000083021609 538062545 /nfs/dbraw/zinc/06/25/45/538062545.db2.gz MNPIRBBRAZOOIQ-XCBNKYQSSA-N 1 0 244.132 2.077 10 0 BEAERO OCCC1(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000133070101 191036063 /nfs/dbraw/zinc/03/60/63/191036063.db2.gz NCJGZEASSUUSAR-UHFFFAOYSA-N 1 0 223.291 2.078 10 0 BEAERO Cc1cccc(C[NH2+]CC2(CCO)CC2)c1 ZINC000133080677 191036943 /nfs/dbraw/zinc/03/69/43/191036943.db2.gz FPAKEQOAJPZAET-UHFFFAOYSA-N 1 0 219.328 2.247 10 0 BEAERO CC[C@@H](COC)[NH2+]CCCCSC ZINC000133717544 191043049 /nfs/dbraw/zinc/04/30/49/191043049.db2.gz AURKSLZARCIBJX-JTQLQIEISA-N 1 0 205.367 2.144 10 0 BEAERO Cc1nc2ccccc2n1[C@@H](C)[C@H](C)[NH3+] ZINC000041053916 180103742 /nfs/dbraw/zinc/10/37/42/180103742.db2.gz VDNQPTKYTAJBDP-IUCAKERBSA-N 1 0 203.289 2.253 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309197135 350167392 /nfs/dbraw/zinc/16/73/92/350167392.db2.gz LYGUXWYXDUDSJQ-YIYPIFLZSA-N 1 0 224.392 2.482 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H]1CCC[C@H]1[NH3+] ZINC000063177236 180105662 /nfs/dbraw/zinc/10/56/62/180105662.db2.gz UVBIFFAXCLCHTH-GHMZBOCLSA-N 1 0 242.326 2.230 10 0 BEAERO COC(=O)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000034457994 350171247 /nfs/dbraw/zinc/17/12/47/350171247.db2.gz HCDHLYWYYXBBKU-UYIBLKNYSA-N 1 0 237.343 2.093 10 0 BEAERO Cc1ncc(C[N@@H+]2CCS[C@@H](C)C2)s1 ZINC000171688164 180144026 /nfs/dbraw/zinc/14/40/26/180144026.db2.gz IVBNANXHSNHONH-QMMMGPOBSA-N 1 0 228.386 2.389 10 0 BEAERO [NH3+]CC1(c2ccc(Cl)nc2Cl)CC1 ZINC000220672323 350181554 /nfs/dbraw/zinc/18/15/54/350181554.db2.gz JNDCLOOWYXODHD-UHFFFAOYSA-N 1 0 217.099 2.379 10 0 BEAERO Cc1ncc(COC2CCC([NH3+])CC2)s1 ZINC000062336977 180159817 /nfs/dbraw/zinc/15/98/17/180159817.db2.gz YANZUULMXMYMFW-UHFFFAOYSA-N 1 0 226.345 2.238 10 0 BEAERO Cc1ncc(CNC2=[NH+][C@H](C)CS2)s1 ZINC000049534277 180149774 /nfs/dbraw/zinc/14/97/74/180149774.db2.gz QSXJPHDZDMLPCF-ZCFIWIBFSA-N 1 0 227.358 2.032 10 0 BEAERO Cc1nccc(C[NH2+]CCOC2CCCCC2)n1 ZINC000111636449 180190142 /nfs/dbraw/zinc/19/01/42/180190142.db2.gz QRDINZKCPLIPDM-UHFFFAOYSA-N 1 0 249.358 2.224 10 0 BEAERO Cc1ncccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000335123297 180223161 /nfs/dbraw/zinc/22/31/61/180223161.db2.gz YGHWRAFKLCYWLO-ZIAGYGMSSA-N 1 0 234.343 2.173 10 0 BEAERO Cc1nccn1Cc1cc(C[NH2+]C(C)C)co1 ZINC000052576139 180269080 /nfs/dbraw/zinc/26/90/80/180269080.db2.gz RZBFVWFYRNXLCJ-UHFFFAOYSA-N 1 0 233.315 2.331 10 0 BEAERO Cc1nccn1[C@@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043124118 180270695 /nfs/dbraw/zinc/27/06/95/180270695.db2.gz GNFCWGAHTBUQKH-GZMMTYOYSA-N 1 0 221.329 2.190 10 0 BEAERO Cc1nccn1[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043046126 180270794 /nfs/dbraw/zinc/27/07/94/180270794.db2.gz UMBZKDATENRKFE-ZANVPECISA-N 1 0 233.290 2.267 10 0 BEAERO Cc1nccn1[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107024 180271143 /nfs/dbraw/zinc/27/11/43/180271143.db2.gz UNPLLYGCDHEOGU-KCJUWKMLSA-N 1 0 221.329 2.190 10 0 BEAERO Cc1nccn1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000043016619 180271167 /nfs/dbraw/zinc/27/11/67/180271167.db2.gz VJKBENFIQUIXNG-LBPRGKRZSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1nccn1[C@@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042973155 180272105 /nfs/dbraw/zinc/27/21/05/180272105.db2.gz MQCRFLSXJNETHD-TVQRCGJNSA-N 1 0 233.290 2.267 10 0 BEAERO Cc1ncn(CC[NH2+]C2CCCC2)c1C ZINC000053536005 180287935 /nfs/dbraw/zinc/28/79/35/180287935.db2.gz YSZFORCZPPFSHY-UHFFFAOYSA-N 1 0 207.321 2.032 10 0 BEAERO Cc1ncn([C@H](C[NH3+])c2cccc(F)c2)c1C ZINC000051925876 180288847 /nfs/dbraw/zinc/28/88/47/180288847.db2.gz NBCVFBSPEZXJLZ-CYBMUJFWSA-N 1 0 233.290 2.187 10 0 BEAERO Cc1ncn([C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1C ZINC000051926449 180289273 /nfs/dbraw/zinc/28/92/73/180289273.db2.gz LDMPNTXERQRTJD-KGLIPLIRSA-N 1 0 227.311 2.297 10 0 BEAERO Cc1ncn([C@H](c2ccco2)[C@@H](C)[NH3+])c1C ZINC000051925856 180289913 /nfs/dbraw/zinc/28/99/13/180289913.db2.gz WDUPEBQEOUGWGX-PELKAZGASA-N 1 0 219.288 2.030 10 0 BEAERO Cc1ncnc(C)c1[C@H](C)C[NH2+]CC(C)C ZINC000054855149 180290632 /nfs/dbraw/zinc/29/06/32/180290632.db2.gz LIVWQBYQDRRCKA-SNVBAGLBSA-N 1 0 221.348 2.443 10 0 BEAERO C[C@@H](C(=O)NC1CCC(C)([NH3+])CC1)C(C)(C)C ZINC000725263273 538089610 /nfs/dbraw/zinc/08/96/10/538089610.db2.gz CNRSYGGDJHXZIF-IFQILLTASA-N 1 0 240.391 2.445 10 0 BEAERO C[C@H](C[NH3+])S[C@H]1CC(C)(C)OC1(C)C ZINC000167892846 350291659 /nfs/dbraw/zinc/29/16/59/350291659.db2.gz XRVXAWWVOHYASK-BDAKNGLRSA-N 1 0 217.378 2.413 10 0 BEAERO C[C@H](C(=O)NC1CCC(C)([NH3+])CC1)C(C)(C)C ZINC000725263272 538089659 /nfs/dbraw/zinc/08/96/59/538089659.db2.gz CNRSYGGDJHXZIF-CDWSIMAYSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H]([NH3+])CS[C@H]1CC(C)(C)OC1(C)C ZINC000167893222 350294552 /nfs/dbraw/zinc/29/45/52/350294552.db2.gz MBBSHLJBDCTSFU-BDAKNGLRSA-N 1 0 217.378 2.413 10 0 BEAERO C#CC[NH2+]C[C@@H]1CCCc2c(OC)cccc21 ZINC000039019859 350328675 /nfs/dbraw/zinc/32/86/75/350328675.db2.gz OWTZMESOARHBGA-LBPRGKRZSA-N 1 0 229.323 2.338 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000040673142 180326304 /nfs/dbraw/zinc/32/63/04/180326304.db2.gz JUSQGPZGJHZGCV-WDEREUQCSA-N 1 0 239.388 2.196 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]Cc1cn[nH]c1 ZINC000038006401 180326630 /nfs/dbraw/zinc/32/66/30/180326630.db2.gz ODZZQLGJXJWDMT-SSDOTTSWSA-N 1 0 222.317 2.025 10 0 BEAERO Cc1nn(-c2ccccc2)c(C)c1CCC[NH3+] ZINC000022203874 180328841 /nfs/dbraw/zinc/32/88/41/180328841.db2.gz NHRLMUJMWGAARR-UHFFFAOYSA-N 1 0 229.327 2.380 10 0 BEAERO Cc1ncsc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000084149464 180322587 /nfs/dbraw/zinc/32/25/87/180322587.db2.gz XOYFJEWFFRJYLD-GHMZBOCLSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1nn(C)c(O[C@@H]2CCC[C@H](C)C2)c1C[NH3+] ZINC000020517790 180360424 /nfs/dbraw/zinc/36/04/24/180360424.db2.gz HCRMRFJNACOVEC-GXSJLCMTSA-N 1 0 237.347 2.145 10 0 BEAERO CC(C)(C)C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000041120225 350416185 /nfs/dbraw/zinc/41/61/85/350416185.db2.gz HPPJHVDOIDWYHW-NSHDSACASA-N 1 0 235.327 2.462 10 0 BEAERO Cc1nn(C)c(C)c1CCC[NH2+]CC(C)C ZINC000062808286 180336955 /nfs/dbraw/zinc/33/69/55/180336955.db2.gz CXYAUVNLHZHXME-UHFFFAOYSA-N 1 0 223.364 2.215 10 0 BEAERO CCOP(=O)(OCC)[C@@](C)([NH3+])CC ZINC000034129885 350463734 /nfs/dbraw/zinc/46/37/34/350463734.db2.gz IWOZRWIRMMVBED-MRVPVSSYSA-N 1 0 209.226 2.337 10 0 BEAERO C[N@@H+]1CCO[C@H](c2cccc3nnccc32)CC1 ZINC000616592786 350469454 /nfs/dbraw/zinc/46/94/54/350469454.db2.gz GAHNTHYPGQUFND-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO [NH3+]Cc1cc(CC2CCCCC2)ncn1 ZINC000409436565 350479506 /nfs/dbraw/zinc/47/95/06/350479506.db2.gz JGROFEXHLALVCA-UHFFFAOYSA-N 1 0 205.305 2.058 10 0 BEAERO [NH3+]Cc1cn(CC2CC2)nc1-c1cccs1 ZINC000409440826 350482396 /nfs/dbraw/zinc/48/23/96/350482396.db2.gz VBQMSNLBJBIDLI-UHFFFAOYSA-N 1 0 233.340 2.480 10 0 BEAERO COC(=N)CCc1c(C)[nH]nc1C(C)C ZINC000409441978 350482557 /nfs/dbraw/zinc/48/25/57/350482557.db2.gz VXYJMRXZQZLMCF-UHFFFAOYSA-N 1 0 209.293 2.398 10 0 BEAERO Cc1nn([C@@H](C)C[NH2+]C2CC2)c(C)c1Cl ZINC000052574005 180392162 /nfs/dbraw/zinc/39/21/62/180392162.db2.gz QFPXTBDHNRCHBS-ZETCQYMHSA-N 1 0 227.739 2.466 10 0 BEAERO Cc1nn([C@H](C[NH3+])C(C)(C)C)c(C)c1C ZINC000043295022 180393458 /nfs/dbraw/zinc/39/34/58/180393458.db2.gz ONCHXHMPGXDQHI-LLVKDONJSA-N 1 0 209.337 2.354 10 0 BEAERO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@@H]1C ZINC000227748634 350513939 /nfs/dbraw/zinc/51/39/39/350513939.db2.gz PDHCNXVSTTUMHE-SGMGOOAPSA-N 1 0 247.338 2.489 10 0 BEAERO c1nnn([C@@H]2CCC[NH2+]CC2)c1-c1ccccc1 ZINC000725266030 538094263 /nfs/dbraw/zinc/09/42/63/538094263.db2.gz GNJHEIXZSMMHDF-CYBMUJFWSA-N 1 0 242.326 2.260 10 0 BEAERO Cc1nn(CC[NH2+]C(C)C)c(C)c1Cl ZINC000050586788 180388740 /nfs/dbraw/zinc/38/87/40/180388740.db2.gz DSXQBVHPAQMDPP-UHFFFAOYSA-N 1 0 215.728 2.151 10 0 BEAERO CCc1csc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000061894865 350532819 /nfs/dbraw/zinc/53/28/19/350532819.db2.gz FVWISJLUOGYJEZ-SNVBAGLBSA-N 1 0 225.361 2.023 10 0 BEAERO Cc1nnc(C2([NH3+])CCCCC2)n1C(C)C ZINC000042030625 180399374 /nfs/dbraw/zinc/39/93/74/180399374.db2.gz AIHIMJKIGRALDZ-UHFFFAOYSA-N 1 0 222.336 2.286 10 0 BEAERO CC(C)=CCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000064571029 350578018 /nfs/dbraw/zinc/57/80/18/350578018.db2.gz SJRLHFNOBLMKPN-CYBMUJFWSA-N 1 0 208.349 2.123 10 0 BEAERO CCN1CCO[C@H](C[NH2+][C@H](C)CCC(C)C)C1 ZINC000252649516 538096314 /nfs/dbraw/zinc/09/63/14/538096314.db2.gz XDETXDOIJWTREI-ZIAGYGMSSA-N 1 0 242.407 2.121 10 0 BEAERO CNc1ccc([C@H]2CC[N@H+](C)CCO2)cc1 ZINC000616593987 350584291 /nfs/dbraw/zinc/58/42/91/350584291.db2.gz NJPUBIGUJTVZAU-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO Cc1nnc(S[C@H](C[NH3+])C(C)(C)C)s1 ZINC000043297843 180440592 /nfs/dbraw/zinc/44/05/92/180440592.db2.gz RLCBANOHBJFZTO-SSDOTTSWSA-N 1 0 231.390 2.312 10 0 BEAERO Cc1nnc(SCc2ccccc2C[NH3+])o1 ZINC000051038342 180439951 /nfs/dbraw/zinc/43/99/51/180439951.db2.gz LTQRAXHNIDRRNE-UHFFFAOYSA-N 1 0 235.312 2.129 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccno2)CC1 ZINC000616595011 350597646 /nfs/dbraw/zinc/59/76/46/350597646.db2.gz JCZQZBGRELVKML-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178869625 535145637 /nfs/dbraw/zinc/14/56/37/535145637.db2.gz SHZCCSIKOANSKY-NWDGAFQWSA-N 1 0 240.391 2.254 10 0 BEAERO COCCC[NH2+]CC[C@@H](CO)C1CCCCC1 ZINC000725267316 538097327 /nfs/dbraw/zinc/09/73/27/538097327.db2.gz ZAHCWUSRTGEOJP-AWEZNQCLSA-N 1 0 243.391 2.191 10 0 BEAERO [NH2+]=C1CCCCN1CC(F)(F)C(F)F ZINC000230711409 350606767 /nfs/dbraw/zinc/60/67/67/350606767.db2.gz ZDCUUENVGWWABQ-UHFFFAOYSA-N 1 0 212.190 2.350 10 0 BEAERO COCC[NH2+]CC[C@H](CO)[C@H]1CCCC[C@H]1C ZINC000725266791 538096789 /nfs/dbraw/zinc/09/67/89/538096789.db2.gz DUUKKNRHFHCMGK-MCIONIFRSA-N 1 0 243.391 2.047 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cnoc2)CC1 ZINC000616596524 350635056 /nfs/dbraw/zinc/63/50/56/350635056.db2.gz YVUSEKNADTVULX-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2cncc3ccccc32)C1 ZINC000616596742 350636217 /nfs/dbraw/zinc/63/62/17/350636217.db2.gz AJPDTGPDHFQDKZ-ZDUSSCGKSA-N 1 0 242.322 2.280 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@@H](C)CCc1ccccc1 ZINC000725267342 538098206 /nfs/dbraw/zinc/09/82/06/538098206.db2.gz ZRFLZIUMOHGJPN-DZGCQCFKSA-N 1 0 235.371 2.473 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccc(N)cc1 ZINC000616598179 350657321 /nfs/dbraw/zinc/65/73/21/350657321.db2.gz MAUFNPCPFVEVNP-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO CCC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1CC ZINC000252693095 538098722 /nfs/dbraw/zinc/09/87/22/538098722.db2.gz GTNHXGFCZYSWGZ-OLZOCXBDSA-N 1 0 210.365 2.345 10 0 BEAERO Cc1cc(N[C@@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000302314053 191119195 /nfs/dbraw/zinc/11/91/95/191119195.db2.gz PQKVVKGKOHIUHO-ZYHUDNBSSA-N 1 0 206.289 2.105 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616598522 350675661 /nfs/dbraw/zinc/67/56/61/350675661.db2.gz CYQVSYKJMXSFSH-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cccnc1 ZINC000616598888 350688581 /nfs/dbraw/zinc/68/85/81/350688581.db2.gz UORMRAJELLFIQR-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccc(CO)cc1 ZINC000616598935 350695277 /nfs/dbraw/zinc/69/52/77/350695277.db2.gz LWSRFQAQQVJMMS-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cccnn1 ZINC000616599565 350751979 /nfs/dbraw/zinc/75/19/79/350751979.db2.gz LSBJGBZHUMZPJI-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO C[C@H]1C[C@H]1Nc1c(N)c[nH+]cc1Br ZINC000235592651 350720248 /nfs/dbraw/zinc/72/02/48/350720248.db2.gz FWIMBYKGIWHDFY-YLWLKBPMSA-N 1 0 242.120 2.247 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cccnc1 ZINC000616599969 350777538 /nfs/dbraw/zinc/77/75/38/350777538.db2.gz UGIPOKKKINVMIV-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ncccn2)CC1 ZINC000616600860 350780223 /nfs/dbraw/zinc/78/02/23/350780223.db2.gz IPQQJNNPCCZFDV-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2conn2)CC1 ZINC000616601300 350782225 /nfs/dbraw/zinc/78/22/25/350782225.db2.gz NORMHVGXPKQXLQ-SNVBAGLBSA-N 1 0 209.293 2.048 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1cccc2ncccc21 ZINC000616601894 350786652 /nfs/dbraw/zinc/78/66/52/350786652.db2.gz JCXAYAJREIMBRI-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccc(N)nc2)CC1 ZINC000616603603 350790111 /nfs/dbraw/zinc/79/01/11/350790111.db2.gz ZIZBAWYBBNIJRK-LBPRGKRZSA-N 1 0 233.359 2.472 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1ccccc1CO ZINC000616601946 350790245 /nfs/dbraw/zinc/79/02/45/350790245.db2.gz QLNWBBRETRASLF-AWEZNQCLSA-N 1 0 249.354 2.351 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2cccc(N)n2)CC1 ZINC000616602001 350790875 /nfs/dbraw/zinc/79/08/75/350790875.db2.gz PLQRFSBTIQVONE-NSHDSACASA-N 1 0 219.332 2.253 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](n2ccnc2)CC1 ZINC000616602009 350790919 /nfs/dbraw/zinc/79/09/19/350790919.db2.gz PPYHUCIIQKFOQG-LBPRGKRZSA-N 1 0 207.321 2.319 10 0 BEAERO CCN1CC[NH2+][C@@H](c2cccc3cnccc32)C1 ZINC000616602157 350790954 /nfs/dbraw/zinc/79/09/54/350790954.db2.gz XWMBMCKUESUUEI-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2c[nH]nc2N)C1 ZINC000616603800 350791143 /nfs/dbraw/zinc/79/11/43/350791143.db2.gz IJEDYMPCJSPPMF-JTQLQIEISA-N 1 0 236.363 2.190 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2ccncn2)C1 ZINC000616604953 350794081 /nfs/dbraw/zinc/79/40/81/350794081.db2.gz VLXJNMWVRQMNSE-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO CNc1cccc([C@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616605383 350794838 /nfs/dbraw/zinc/79/48/38/350794838.db2.gz ZUZBHGLENDDNKW-AWEZNQCLSA-N 1 0 248.370 2.290 10 0 BEAERO OCc1cccc([C@@H]2CCCC[NH2+]C2)c1 ZINC000616606063 350796440 /nfs/dbraw/zinc/79/64/40/350796440.db2.gz XITPELQFRQYKDU-CYBMUJFWSA-N 1 0 205.301 2.036 10 0 BEAERO C[N@@H+]1CCC[C@@H]1c1cccc2ccnnc21 ZINC000616606954 350798898 /nfs/dbraw/zinc/79/88/98/350798898.db2.gz MYFZLBCPWQPGJW-GFCCVEGCSA-N 1 0 213.284 2.397 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccncn1 ZINC000616606840 350799331 /nfs/dbraw/zinc/79/93/31/350799331.db2.gz GOTASTQYHCLASQ-LLVKDONJSA-N 1 0 205.305 2.412 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000616606894 350799351 /nfs/dbraw/zinc/79/93/51/350799351.db2.gz HFJOJPNJPQHAKC-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000616607536 350800878 /nfs/dbraw/zinc/80/08/78/350800878.db2.gz JSZACKNWBLKKTQ-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccccc2N)CC1 ZINC000616609662 350803404 /nfs/dbraw/zinc/80/34/04/350803404.db2.gz FWYLMXYNFDVCCK-LLVKDONJSA-N 1 0 204.317 2.468 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616608339 350804509 /nfs/dbraw/zinc/80/45/09/350804509.db2.gz QNIJBTVGMXWHEC-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1ccc2ccncc2c1 ZINC000616608287 350804525 /nfs/dbraw/zinc/80/45/25/350804525.db2.gz RDMOYYRAFBWPNI-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000616608362 350804548 /nfs/dbraw/zinc/80/45/48/350804548.db2.gz REVVAOMOOAPYOL-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616614839 350840719 /nfs/dbraw/zinc/84/07/19/350840719.db2.gz XADISBIBIIEIQF-CYBMUJFWSA-N 1 0 246.354 2.373 10 0 BEAERO CC[N@@H+]1CCCC[C@@H]1c1ccnc(N)c1 ZINC000616614911 350842184 /nfs/dbraw/zinc/84/21/84/350842184.db2.gz ZBGXYFALMBJSDQ-LLVKDONJSA-N 1 0 205.305 2.041 10 0 BEAERO c1cc2ccc([C@@H]3CCCC[NH2+]3)cc2nn1 ZINC000616614927 350842367 /nfs/dbraw/zinc/84/23/67/350842367.db2.gz ACSKBDHPRCGFGR-LBPRGKRZSA-N 1 0 213.284 2.444 10 0 BEAERO COc1nc([C@@H]2CCCCC[NH2+]2)cs1 ZINC000306701955 350851295 /nfs/dbraw/zinc/85/12/95/350851295.db2.gz HHLIOLCZIRFGAX-QMMMGPOBSA-N 1 0 212.318 2.356 10 0 BEAERO CC(C)(C)[C@H]([NH3+])c1ncncc1Br ZINC000306703836 350852165 /nfs/dbraw/zinc/85/21/65/350852165.db2.gz BQZQXLLOOZQWNM-MRVPVSSYSA-N 1 0 244.136 2.285 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2cccc(CO)c2)C1 ZINC000616617072 350861402 /nfs/dbraw/zinc/86/14/02/350861402.db2.gz FIYLKEOZVHHUQN-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cccc3ccnnc32)C1 ZINC000616617154 350862322 /nfs/dbraw/zinc/86/23/22/350862322.db2.gz KBOXRSKTXVZUNZ-GFCCVEGCSA-N 1 0 227.311 2.439 10 0 BEAERO CCNC(=[NH2+])Nc1ccccc1Br ZINC000052069636 350901115 /nfs/dbraw/zinc/90/11/15/350901115.db2.gz OGYHWWIWURBEPM-UHFFFAOYSA-N 1 0 242.120 2.405 10 0 BEAERO O=C(CC1CC1)[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000306731987 350901808 /nfs/dbraw/zinc/90/18/08/350901808.db2.gz REVAFFRDAIFFJL-UTUOFQBUSA-N 1 0 207.317 2.134 10 0 BEAERO C[C@H](c1ccsc1)N1CC[NH2+]C[C@H]1C ZINC000251921831 350906319 /nfs/dbraw/zinc/90/63/19/350906319.db2.gz YAEADBCSMIUASN-NXEZZACHSA-N 1 0 210.346 2.103 10 0 BEAERO c1cc2ccc([C@@H]3CCC[NH2+]C3)cc2nn1 ZINC000616618473 350914829 /nfs/dbraw/zinc/91/48/29/350914829.db2.gz ZTQFKWPVCHJVRB-GFCCVEGCSA-N 1 0 213.284 2.097 10 0 BEAERO c1cc2nnccc2c([C@H]2CCC[NH2+]C2)c1 ZINC000616618675 350921587 /nfs/dbraw/zinc/92/15/87/350921587.db2.gz IJYFYYFSFVUGPV-JTQLQIEISA-N 1 0 213.284 2.097 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2ncccn2)CC1 ZINC000616619979 350928401 /nfs/dbraw/zinc/92/84/01/350928401.db2.gz TXGGMZFCMBCLJE-UHFFFAOYSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)NC(=[NH2+])c1ccncc1Br ZINC000306726310 350896287 /nfs/dbraw/zinc/89/62/87/350896287.db2.gz ZCHAKWAXOAOBJK-UHFFFAOYSA-N 1 0 242.120 2.167 10 0 BEAERO CCN1CCc2ccccc2[C@H]1C(C)=O ZINC000222549758 350984285 /nfs/dbraw/zinc/98/42/85/350984285.db2.gz QXVRTXNMVMBFAJ-CYBMUJFWSA-N 1 0 203.285 2.195 10 0 BEAERO CC(C)([NH3+])[C@@H](O)c1cc(Cl)cs1 ZINC000129100661 350986647 /nfs/dbraw/zinc/98/66/47/350986647.db2.gz GOKFENHCOMZRNY-ZETCQYMHSA-N 1 0 205.710 2.172 10 0 BEAERO c1ncc(C[C@@]2(C3CC3)CCC[NH2+]2)s1 ZINC000159729046 350986797 /nfs/dbraw/zinc/98/67/97/350986797.db2.gz ZEZBRPLMBMGQLN-LLVKDONJSA-N 1 0 208.330 2.218 10 0 BEAERO CC[C@@H](C[NH2+]C)N(C)Cc1ccccc1 ZINC000052417399 350992067 /nfs/dbraw/zinc/99/20/67/350992067.db2.gz INFBCDDQNQEQFL-ZDUSSCGKSA-N 1 0 206.333 2.116 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@@H]2CCSC2)sn1 ZINC000306769232 351002011 /nfs/dbraw/zinc/00/20/11/351002011.db2.gz ATTZLICAFWHDIB-APPZFPTMSA-N 1 0 214.359 2.204 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccnnc2)C1 ZINC000616620608 350944016 /nfs/dbraw/zinc/94/40/16/350944016.db2.gz LVXUCISALKJNQN-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO c1nnoc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000616620754 350945312 /nfs/dbraw/zinc/94/53/12/350945312.db2.gz HPJCLSDMRCRRCB-UHFFFAOYSA-N 1 0 243.310 2.449 10 0 BEAERO Cc1cc(Br)cc2c1OC[C@H]2[NH3+] ZINC000063061403 350949054 /nfs/dbraw/zinc/94/90/54/350949054.db2.gz PBWUFDLPDBDAJQ-MRVPVSSYSA-N 1 0 228.089 2.150 10 0 BEAERO CSC1(CNC2=[NH+][C@H](C)[C@@H](C)S2)CC1 ZINC000306781103 351025801 /nfs/dbraw/zinc/02/58/01/351025801.db2.gz BOXGZPUPFOWGAP-HTQZYQBOSA-N 1 0 230.402 2.351 10 0 BEAERO c1onnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000616621403 351036185 /nfs/dbraw/zinc/03/61/85/351036185.db2.gz QTIHTMBXJPYNHF-UHFFFAOYSA-N 1 0 243.310 2.449 10 0 BEAERO FCCC[N@@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000306789681 351039302 /nfs/dbraw/zinc/03/93/02/351039302.db2.gz UFVSNFNHSBENPQ-VHSXEESVSA-N 1 0 203.326 2.316 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(C)o1 ZINC000398077628 362999701 /nfs/dbraw/zinc/99/97/01/362999701.db2.gz QHWGRQACTXTFRO-QWHCGFSZSA-N 1 0 249.358 2.042 10 0 BEAERO Brc1cc(C[C@H]2CC[NH2+]C2)co1 ZINC000306806178 351057607 /nfs/dbraw/zinc/05/76/07/351057607.db2.gz IYFFPKRKZXUSEV-SSDOTTSWSA-N 1 0 230.105 2.194 10 0 BEAERO C[C@@H]1CS[C@@H]([C@]2(C)CCCS2)[NH2+]1 ZINC000306803204 351057733 /nfs/dbraw/zinc/05/77/33/351057733.db2.gz VODGZUGGMAZVDB-VGMNWLOBSA-N 1 0 203.376 2.323 10 0 BEAERO [NH3+][C@@H]1CCC[C@](F)(Cc2cncs2)C1 ZINC000159844102 351013156 /nfs/dbraw/zinc/01/31/56/351013156.db2.gz YTJHNMBRPLDPNF-PSASIEDQSA-N 1 0 214.309 2.295 10 0 BEAERO COc1cccc([C@@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616629497 351100759 /nfs/dbraw/zinc/10/07/59/351100759.db2.gz MUSOODBVNLKBOU-CQSZACIVSA-N 1 0 248.370 2.223 10 0 BEAERO CC[N@@H+]1CCCC[C@H](Nc2ccccn2)C1 ZINC000616630258 351102950 /nfs/dbraw/zinc/10/29/50/351102950.db2.gz UCEQJAKHHQHVQW-LBPRGKRZSA-N 1 0 219.332 2.368 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1cccc2ncccc21 ZINC000616631030 351104333 /nfs/dbraw/zinc/10/43/33/351104333.db2.gz FNEDPZZDSNVAON-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2conn2)CC1 ZINC000616626718 351107218 /nfs/dbraw/zinc/10/72/18/351107218.db2.gz AAFCVCZXDKIXLW-JTQLQIEISA-N 1 0 223.320 2.438 10 0 BEAERO CN(C(=O)OC(C)(C)C)[C@H]1CCCC[N@H+](C)C1 ZINC000616627163 351107956 /nfs/dbraw/zinc/10/79/56/351107956.db2.gz CFQKCZREOAQUPJ-NSHDSACASA-N 1 0 242.363 2.338 10 0 BEAERO [NH3+]CCN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000616627296 351108065 /nfs/dbraw/zinc/10/80/65/351108065.db2.gz HEIQHFLIIDXIQV-GFCCVEGCSA-N 1 0 236.334 2.354 10 0 BEAERO CCN1CC[NH2+][C@H](c2cccc3cccnc32)C1 ZINC000616632505 351112870 /nfs/dbraw/zinc/11/28/70/351112870.db2.gz KDOSDQRAVGLDAS-AWEZNQCLSA-N 1 0 241.338 2.201 10 0 BEAERO CC[N@@H+]1CCN[C@H](c2cnc3ccccc3c2)C1 ZINC000616632980 351113410 /nfs/dbraw/zinc/11/34/10/351113410.db2.gz TZINNAOTMSKVRM-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1nccc2ccccc21 ZINC000616633564 351115227 /nfs/dbraw/zinc/11/52/27/351115227.db2.gz MJCWTLJAKOFTAE-AWEZNQCLSA-N 1 0 241.338 2.330 10 0 BEAERO OCCc1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000616633894 351115917 /nfs/dbraw/zinc/11/59/17/351115917.db2.gz TYVGVMSQPFGASY-CQSZACIVSA-N 1 0 219.328 2.426 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1cncc2ccccc21 ZINC000616634547 351116977 /nfs/dbraw/zinc/11/69/77/351116977.db2.gz SSRXEYUQXZVBRH-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1cccc2ccncc21 ZINC000616634585 351117811 /nfs/dbraw/zinc/11/78/11/351117811.db2.gz USYWXQVUFMVJQY-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO C[C@H](c1ccccc1)N(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516988 351070454 /nfs/dbraw/zinc/07/04/54/351070454.db2.gz WJRDIPXVTNLFEQ-IUODEOHRSA-N 1 0 246.354 2.348 10 0 BEAERO Cc1cocc1C(=O)[C@H]1CC[NH2+]C[C@@H]1C ZINC000306811446 351079490 /nfs/dbraw/zinc/07/94/90/351079490.db2.gz WVZHWNSEFVRYDU-WPRPVWTQSA-N 1 0 207.273 2.016 10 0 BEAERO OCC[N@@H+]1CCCCC[C@@H]1c1ccccc1CO ZINC000616623706 351090259 /nfs/dbraw/zinc/09/02/59/351090259.db2.gz RJWJWIJMSUGCDN-OAHLLOKOSA-N 1 0 249.354 2.088 10 0 BEAERO OCC[N@@H+]1CCCCC[C@H]1c1ccc(CO)cc1 ZINC000616624967 351092938 /nfs/dbraw/zinc/09/29/38/351092938.db2.gz JDZBVGLBZJOOFT-HNNXBMFYSA-N 1 0 249.354 2.088 10 0 BEAERO OCCc1ccccc1[C@@H]1CCCC[NH2+]C1 ZINC000616625074 351093075 /nfs/dbraw/zinc/09/30/75/351093075.db2.gz NFEHPPQDBLBPDA-CYBMUJFWSA-N 1 0 219.328 2.079 10 0 BEAERO CNc1ccccc1[C@H]1CCCCN(CC[NH3+])C1 ZINC000616627563 351095647 /nfs/dbraw/zinc/09/56/47/351095647.db2.gz KRRVAMNXDPOJAR-ZDUSSCGKSA-N 1 0 247.386 2.257 10 0 BEAERO COc1cccc([C@@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616628311 351097586 /nfs/dbraw/zinc/09/75/86/351097586.db2.gz PQSASCYOASOQJI-CYBMUJFWSA-N 1 0 249.354 2.257 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2cccc3ncccc32)C1 ZINC000616628088 351097692 /nfs/dbraw/zinc/09/76/92/351097692.db2.gz YTDGAVGSXNDHBQ-GFCCVEGCSA-N 1 0 242.322 2.016 10 0 BEAERO COc1cccc([C@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616628831 351099433 /nfs/dbraw/zinc/09/94/33/351099433.db2.gz PQSASCYOASOQJI-ZDUSSCGKSA-N 1 0 249.354 2.257 10 0 BEAERO [NH3+][C@@H](c1cscn1)C1CC(F)(F)C1 ZINC000306846598 351158425 /nfs/dbraw/zinc/15/84/25/351158425.db2.gz KESOVWXFPMLISE-SSDOTTSWSA-N 1 0 204.245 2.188 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616644532 351161569 /nfs/dbraw/zinc/16/15/69/351161569.db2.gz DZYUHVUJGDSCAM-OAHLLOKOSA-N 1 0 249.354 2.003 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2cccc(CCO)c2)C1 ZINC000616645567 351168856 /nfs/dbraw/zinc/16/88/56/351168856.db2.gz DZYUHVUJGDSCAM-HNNXBMFYSA-N 1 0 249.354 2.003 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccc(CO)cc1 ZINC000616646084 351169802 /nfs/dbraw/zinc/16/98/02/351169802.db2.gz SOLQGVHMZDIMSC-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccc(N)c1 ZINC000616646170 351170401 /nfs/dbraw/zinc/17/04/01/351170401.db2.gz UBUSVRJYTMVNQA-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616653488 351193589 /nfs/dbraw/zinc/19/35/89/351193589.db2.gz QGGINHVMWJYFMF-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO CC[N@@H+]1CCCO[C@H](c2ccccc2CCO)C1 ZINC000616650309 351173202 /nfs/dbraw/zinc/17/32/02/351173202.db2.gz WKGXJZWMJYJHIX-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(CO)cc2)C1 ZINC000616648084 351175598 /nfs/dbraw/zinc/17/55/98/351175598.db2.gz OJLGAFVBMAFRJL-AWEZNQCLSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccncn2)C1 ZINC000616649387 351177718 /nfs/dbraw/zinc/17/77/18/351177718.db2.gz HIJGPLJLOICJFK-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](c2cccnc2)C1 ZINC000616649437 351178601 /nfs/dbraw/zinc/17/86/01/351178601.db2.gz JOYNYOOFFOUINE-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccc(N)cc2)C1 ZINC000616649688 351180183 /nfs/dbraw/zinc/18/01/83/351180183.db2.gz ZMPZGAKWWURJOM-ZDUSSCGKSA-N 1 0 220.316 2.051 10 0 BEAERO C[C@@H]([NH3+])C(=O)c1cscc1Br ZINC000167987263 351181768 /nfs/dbraw/zinc/18/17/68/351181768.db2.gz OLPNIOCORYZUDA-SCSAIBSYSA-N 1 0 234.118 2.041 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2cccc(OC)c2)C1 ZINC000616652610 351186322 /nfs/dbraw/zinc/18/63/22/351186322.db2.gz HLFVBTCTBNTSKO-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO c1cnc2ccc([C@@H]3C[NH2+]CCCO3)cc2c1 ZINC000616652844 351186817 /nfs/dbraw/zinc/18/68/17/351186817.db2.gz PIQOYJNVUSIKRW-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccccc2N)C1 ZINC000616651815 351189190 /nfs/dbraw/zinc/18/91/90/351189190.db2.gz AFKAOJYIZOWFPC-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2ccncn2)C1 ZINC000616652157 351189579 /nfs/dbraw/zinc/18/95/79/351189579.db2.gz FAYPKZUZXWGNND-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2cccc(CO)c2)C1 ZINC000616652292 351190971 /nfs/dbraw/zinc/19/09/71/351190971.db2.gz GBHZZVQJKWFJBZ-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO COc1ccccc1[C@@H]1C[NH2+]CCN1C(C)(C)C ZINC000616637372 351131886 /nfs/dbraw/zinc/13/18/86/351131886.db2.gz LTPHSJKZYMMHRW-ZDUSSCGKSA-N 1 0 248.370 2.440 10 0 BEAERO C[C@]1(C(=O)Cc2cccs2)CCC[NH2+]C1 ZINC000226339235 351134245 /nfs/dbraw/zinc/13/42/45/351134245.db2.gz GOKHFGCXWGDMSE-LBPRGKRZSA-N 1 0 223.341 2.249 10 0 BEAERO CC(C)(C)[N@@H+]1CCNC[C@@H]1c1ccccc1N ZINC000616638404 351139623 /nfs/dbraw/zinc/13/96/23/351139623.db2.gz ZHFAJFHCEFQXSQ-CYBMUJFWSA-N 1 0 233.359 2.014 10 0 BEAERO CN1CCOC[C@@H]1c1ccc2ccncc2c1 ZINC000616638589 351140507 /nfs/dbraw/zinc/14/05/07/351140507.db2.gz YJHAVXMPTFKKQE-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO CC1(C)CSC(NCCC(F)(F)F)=[NH+]1 ZINC000063100805 351140718 /nfs/dbraw/zinc/14/07/18/351140718.db2.gz VSDRXPDUFYOLDJ-UHFFFAOYSA-N 1 0 226.267 2.410 10 0 BEAERO Clc1cc(SC[C@H]2CCC[NH2+]C2)ncn1 ZINC000095070454 180576236 /nfs/dbraw/zinc/57/62/36/180576236.db2.gz DMNFUOTVVLYDRR-QMMMGPOBSA-N 1 0 243.763 2.222 10 0 BEAERO CN1C[C@@H](c2ccnc(N)c2)Cc2ccccc21 ZINC000616674298 351238996 /nfs/dbraw/zinc/23/89/96/351238996.db2.gz YMCIICJUESZCRU-ZDUSSCGKSA-N 1 0 239.322 2.270 10 0 BEAERO COC(=O)N1CC[C@H](CC[NH3+])c2ccccc21 ZINC000616674669 351242341 /nfs/dbraw/zinc/24/23/41/351242341.db2.gz KETPYJIRZQYGOL-JTQLQIEISA-N 1 0 234.299 2.096 10 0 BEAERO CCOC(=O)N1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616677195 351243644 /nfs/dbraw/zinc/24/36/44/351243644.db2.gz HUXSATDRDKMRTN-ZDUSSCGKSA-N 1 0 248.326 2.091 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1cccnc1N ZINC000616677342 351243924 /nfs/dbraw/zinc/24/39/24/351243924.db2.gz KXCAVQHYGHQNGQ-CQSZACIVSA-N 1 0 239.322 2.241 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccncn1 ZINC000616679838 351245840 /nfs/dbraw/zinc/24/58/40/351245840.db2.gz QGGGVKWNUHUANK-AWEZNQCLSA-N 1 0 225.295 2.054 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccncn1 ZINC000616678286 351246149 /nfs/dbraw/zinc/24/61/49/351246149.db2.gz FTMXVTRVDBOGCJ-OAHLLOKOSA-N 1 0 239.322 2.444 10 0 BEAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000616678276 351246329 /nfs/dbraw/zinc/24/63/29/351246329.db2.gz FNOSBBUAAHLSJY-ZDUSSCGKSA-N 1 0 219.328 2.377 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccccn2)CC1 ZINC000616686461 351256647 /nfs/dbraw/zinc/25/66/47/351256647.db2.gz LBARIZRYEBILJV-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccccc2CO)CC1 ZINC000616686400 351256717 /nfs/dbraw/zinc/25/67/17/351256717.db2.gz JMSRDTRKDPCQNN-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)(C)[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616685666 351257363 /nfs/dbraw/zinc/25/73/63/351257363.db2.gz RQPIPAOHSHZZLR-CYBMUJFWSA-N 1 0 233.359 2.292 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000616686930 351257808 /nfs/dbraw/zinc/25/78/08/351257808.db2.gz LSAKEWATFRZHDZ-QMMMGPOBSA-N 1 0 207.264 2.141 10 0 BEAERO CC(C)(C)N1CCOCC[C@H]1c1ncco1 ZINC000616657292 351197879 /nfs/dbraw/zinc/19/78/79/351197879.db2.gz VLBHOBVCCBGSTG-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccccn1 ZINC000616655853 351201546 /nfs/dbraw/zinc/20/15/46/351201546.db2.gz FZYWDWBYAYWJDE-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616659752 351208145 /nfs/dbraw/zinc/20/81/45/351208145.db2.gz FCXDGOPOGJYTLG-HNNXBMFYSA-N 1 0 242.322 2.280 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2ccccc2F)C1 ZINC000616661304 351209644 /nfs/dbraw/zinc/20/96/44/351209644.db2.gz PDFWKYWDLONLEA-NSHDSACASA-N 1 0 223.291 2.261 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2ccc(F)cc2)C1 ZINC000616661920 351210717 /nfs/dbraw/zinc/21/07/17/351210717.db2.gz VNUPUPSWGHQKCJ-LBPRGKRZSA-N 1 0 223.291 2.261 10 0 BEAERO c1ccc2cc([C@H]3CCOCC[NH2+]3)ncc2c1 ZINC000616660758 351213198 /nfs/dbraw/zinc/21/31/98/351213198.db2.gz WVXKQIBMRUJFSI-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO c1cc2ccc([C@@H]3CC[NH2+]CCO3)cc2cn1 ZINC000616662890 351214005 /nfs/dbraw/zinc/21/40/05/351214005.db2.gz DHEWEHUKRYTHHH-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO Clc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000026896723 180581933 /nfs/dbraw/zinc/58/19/33/180581933.db2.gz KNMPWEILMNUGJL-UHFFFAOYSA-N 1 0 210.708 2.140 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1ccno1 ZINC000616667452 351224054 /nfs/dbraw/zinc/22/40/54/351224054.db2.gz AVZYSSJWPDJFMR-CYBMUJFWSA-N 1 0 243.310 2.127 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1C(F)F ZINC000616667699 351224812 /nfs/dbraw/zinc/22/48/12/351224812.db2.gz CCMPDUWJGYJCTF-LLVKDONJSA-N 1 0 226.270 2.032 10 0 BEAERO Cc1ccc(O)c(C[NH2+]C[C@@H](C)C2CC2)n1 ZINC000122457793 363022111 /nfs/dbraw/zinc/02/21/11/363022111.db2.gz QYJDDAQSNYKWPT-SECBINFHSA-N 1 0 220.316 2.231 10 0 BEAERO N#Cc1c(C[NH3+])cccc1C(F)(F)F ZINC000168333758 351381285 /nfs/dbraw/zinc/38/12/85/351381285.db2.gz PUEXZMTVAOQEBE-UHFFFAOYSA-N 1 0 200.163 2.036 10 0 BEAERO [NH3+]C/C=C/c1cscc1Br ZINC000306967280 351385315 /nfs/dbraw/zinc/38/53/15/351385315.db2.gz PPVYZTIMVHHRPX-OWOJBTEDSA-N 1 0 218.119 2.483 10 0 BEAERO C[C@]1([C@H]([NH3+])c2ccns2)CCCS1 ZINC000306981185 351401103 /nfs/dbraw/zinc/40/11/03/351401103.db2.gz HLUWDBDYYSRBEN-RKDXNWHRSA-N 1 0 214.359 2.429 10 0 BEAERO [NH3+][C@H](c1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000034939668 351355869 /nfs/dbraw/zinc/35/58/69/351355869.db2.gz LHFSWWSCRXMSHM-UONOGXRCSA-N 1 0 217.312 2.354 10 0 BEAERO Cn1cc([C@@H]([NH3+])CC2CCCCC2)cn1 ZINC000034957613 351362930 /nfs/dbraw/zinc/36/29/30/351362930.db2.gz KQGKTCIFSXGLMA-LBPRGKRZSA-N 1 0 207.321 2.390 10 0 BEAERO Cc1cc(C)cc([C@H]([NH3+])c2cnn(C)c2)c1 ZINC000034957650 351363098 /nfs/dbraw/zinc/36/30/98/351363098.db2.gz KCYCGCUHAWAGCN-ZDUSSCGKSA-N 1 0 215.300 2.085 10 0 BEAERO Cc1ccc([C@H]([NH3+])c2cnn(C)c2)cc1C ZINC000034957700 351363140 /nfs/dbraw/zinc/36/31/40/351363140.db2.gz PSFNSNFSUCATNY-ZDUSSCGKSA-N 1 0 215.300 2.085 10 0 BEAERO [NH3+]Cc1ccccc1COCCc1ccccn1 ZINC000034958471 351364294 /nfs/dbraw/zinc/36/42/94/351364294.db2.gz PHYARQXUVYBLKL-UHFFFAOYSA-N 1 0 242.322 2.300 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)c1ccsn1 ZINC000307021269 351429489 /nfs/dbraw/zinc/42/94/89/351429489.db2.gz DFPCFKYNSPQTTP-RKDXNWHRSA-N 1 0 224.329 2.091 10 0 BEAERO CC(C)Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000725268174 538100290 /nfs/dbraw/zinc/10/02/90/538100290.db2.gz ILNIERQBQMZVQH-GJZGRUSLSA-N 1 0 232.371 2.289 10 0 BEAERO CNC(=[NH2+])c1ccc(F)c(F)c1Br ZINC000231882913 351435439 /nfs/dbraw/zinc/43/54/39/351435439.db2.gz UPITWIPAPFAGFP-UHFFFAOYSA-N 1 0 249.058 2.272 10 0 BEAERO [NH3+]Cc1c(F)cc(F)cc1OC(F)F ZINC000307038149 351436219 /nfs/dbraw/zinc/43/62/19/351436219.db2.gz HKPFSAVCGONKRK-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO C/C(=C\c1cn2ccsc2n1)[C@@H](C)[NH3+] ZINC000307054306 351454104 /nfs/dbraw/zinc/45/41/04/351454104.db2.gz QWRZDLZKOCOPFH-WVXIBAHESA-N 1 0 207.302 2.146 10 0 BEAERO Cc1nc(C(=O)C[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000307054636 351455182 /nfs/dbraw/zinc/45/51/82/351455182.db2.gz XSQMEHPUUJBTLA-BDAKNGLRSA-N 1 0 224.329 2.152 10 0 BEAERO C[C@@H]([NH3+])c1cnc(-c2ccns2)s1 ZINC000404449870 351459077 /nfs/dbraw/zinc/45/90/77/351459077.db2.gz HTGFBJAMOGUQHJ-RXMQYKEDSA-N 1 0 211.315 2.286 10 0 BEAERO Cc1cc(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)sn1 ZINC000307065129 351462372 /nfs/dbraw/zinc/46/23/72/351462372.db2.gz RAWTUENEUPNRAX-BDAKNGLRSA-N 1 0 224.329 2.152 10 0 BEAERO C[C@@H](C[NH3+])CNc1ccc(F)cc1Cl ZINC000307075384 351464754 /nfs/dbraw/zinc/46/47/54/351464754.db2.gz NSVSTBGFOKBGHE-ZETCQYMHSA-N 1 0 216.687 2.486 10 0 BEAERO CCC(=[NH2+])NCCOCc1ccccc1 ZINC000307020202 351424552 /nfs/dbraw/zinc/42/45/52/351424552.db2.gz SROZLQOTRGRSIR-UHFFFAOYSA-N 1 0 206.289 2.180 10 0 BEAERO CC(C)Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000725268176 538100332 /nfs/dbraw/zinc/10/03/32/538100332.db2.gz ILNIERQBQMZVQH-LSDHHAIUSA-N 1 0 232.371 2.289 10 0 BEAERO CC[C@@H]1CN(C/C(C)=C/Cl)CCC[NH2+]1 ZINC000232014395 351528525 /nfs/dbraw/zinc/52/85/25/351528525.db2.gz WKZPJBXXRPRCBH-PFEDMVJOSA-N 1 0 216.756 2.203 10 0 BEAERO Cn1c2cc(C[NH3+])ccc2nc1-c1ccncc1 ZINC000075935013 180608535 /nfs/dbraw/zinc/60/85/35/180608535.db2.gz MBHLSHOMEWVSRQ-UHFFFAOYSA-N 1 0 238.294 2.094 10 0 BEAERO Cc1cccc(N[C@@H]2CC[NH2+]C2)c1Cl ZINC000300853057 363067689 /nfs/dbraw/zinc/06/76/89/363067689.db2.gz HQFLDIKFEYALGA-SECBINFHSA-N 1 0 210.708 2.422 10 0 BEAERO [NH3+][C@H](c1cnsc1)[C@@H]1CCCCS1 ZINC000404592658 351593798 /nfs/dbraw/zinc/59/37/98/351593798.db2.gz MIUJBLYJQKYFNB-DTWKUNHWSA-N 1 0 214.359 2.429 10 0 BEAERO Cc1cc(NC(N)=[NH2+])cc(C)c1Br ZINC000232053464 351605737 /nfs/dbraw/zinc/60/57/37/351605737.db2.gz RODDPUDFJITWOB-UHFFFAOYSA-N 1 0 242.120 2.371 10 0 BEAERO Cc1cc(CC(=O)[C@@H]2CC[NH2+][C@H]2C)cs1 ZINC000307171029 351559952 /nfs/dbraw/zinc/55/99/52/351559952.db2.gz AXPGJMBNRACNMY-GXSJLCMTSA-N 1 0 223.341 2.166 10 0 BEAERO Cc1cc(CC(=O)[C@H]2CC[NH2+][C@H]2C)cs1 ZINC000307171038 351560135 /nfs/dbraw/zinc/56/01/35/351560135.db2.gz AXPGJMBNRACNMY-ONGXEEELSA-N 1 0 223.341 2.166 10 0 BEAERO Cc1cc(CC(=O)[C@@H]2CC[NH2+][C@@H]2C)cs1 ZINC000307171032 351560612 /nfs/dbraw/zinc/56/06/12/351560612.db2.gz AXPGJMBNRACNMY-MWLCHTKSSA-N 1 0 223.341 2.166 10 0 BEAERO CC[C@@H]1CSC(N[C@@H]2CCS[C@H]2C)=[NH+]1 ZINC000307220058 351620993 /nfs/dbraw/zinc/62/09/93/351620993.db2.gz OPQCEAMDAWSCIT-DJLDLDEBSA-N 1 0 230.402 2.351 10 0 BEAERO [NH3+][C@H]1CCC[C@@](F)(c2cscn2)C1 ZINC000307253527 351780754 /nfs/dbraw/zinc/78/07/54/351780754.db2.gz VMYPPJXNMFWWBG-CBAPKCEASA-N 1 0 200.282 2.209 10 0 BEAERO C[C@H]1CCC[C@]1(C[NH3+])Cc1nccs1 ZINC000307252845 351782510 /nfs/dbraw/zinc/78/25/10/351782510.db2.gz TYUQQCUKIVDZIE-GXSJLCMTSA-N 1 0 210.346 2.451 10 0 BEAERO C[C@@H]1CCC[C@@]1(C[NH3+])Cc1nccs1 ZINC000307252846 351782581 /nfs/dbraw/zinc/78/25/81/351782581.db2.gz TYUQQCUKIVDZIE-KOLCDFICSA-N 1 0 210.346 2.451 10 0 BEAERO CCC1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000637916912 351789645 /nfs/dbraw/zinc/78/96/45/351789645.db2.gz WPRXZUBPPMHSHL-YDGIUTOCSA-N 1 0 236.359 2.119 10 0 BEAERO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000637917302 351792232 /nfs/dbraw/zinc/79/22/32/351792232.db2.gz INEZSNGVEHOVAN-QWHCGFSZSA-N 1 0 248.370 2.479 10 0 BEAERO Nc1cc(NC2CC2)c(Br)c[nH+]1 ZINC000307258495 351799713 /nfs/dbraw/zinc/79/97/13/351799713.db2.gz QIIIZOZRDCCJGF-UHFFFAOYSA-N 1 0 228.093 2.001 10 0 BEAERO Cc1nsc([C@@]2([NH3+])CCCC[C@H]2C)n1 ZINC000307252610 351770974 /nfs/dbraw/zinc/77/09/74/351770974.db2.gz SPJZSPVPSGKDNQ-GMSGAONNSA-N 1 0 211.334 2.211 10 0 BEAERO Cc1nsc([C@@]2([NH3+])CCCC[C@@H]2C)n1 ZINC000307252611 351771259 /nfs/dbraw/zinc/77/12/59/351771259.db2.gz SPJZSPVPSGKDNQ-OIBJUYFYSA-N 1 0 211.334 2.211 10 0 BEAERO CC[C@@H](C)C[NH2+]CC1CC(n2ccnc2)C1 ZINC000725268802 538101229 /nfs/dbraw/zinc/10/12/29/538101229.db2.gz BEMZFCULGRMOIN-PNESKVBLSA-N 1 0 221.348 2.470 10 0 BEAERO C([NH2+][C@@H]1COC[C@H]1C1CC1)C1CCCC1 ZINC000725269189 538101314 /nfs/dbraw/zinc/10/13/14/538101314.db2.gz FINKIIZPLAKUDT-QWHCGFSZSA-N 1 0 209.333 2.191 10 0 BEAERO CC(C)Oc1cc(C[NH3+])c(Br)cn1 ZINC000307269073 351813617 /nfs/dbraw/zinc/81/36/17/351813617.db2.gz MCXVGIYMCLBZPC-UHFFFAOYSA-N 1 0 245.120 2.090 10 0 BEAERO [NH3+][C@H]1CC[C@@H]1Cc1coc(Br)c1 ZINC000307284180 351848689 /nfs/dbraw/zinc/84/86/89/351848689.db2.gz MYSWEZUGBVZTGC-SFYZADRCSA-N 1 0 230.105 2.322 10 0 BEAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638036170 351916322 /nfs/dbraw/zinc/91/63/22/351916322.db2.gz AWVBUEDZBICPIK-GRYCIOLGSA-N 1 0 226.364 2.055 10 0 BEAERO Cn1cc([C@@H]2CC[NH2+][C@@H]2c2ccccc2)cn1 ZINC000054683001 180668704 /nfs/dbraw/zinc/66/87/04/180668704.db2.gz HFTJJUICGMLZCL-UONOGXRCSA-N 1 0 227.311 2.238 10 0 BEAERO [NH3+]C[C@@H]1CCO[C@H]1c1sccc1Cl ZINC000307331563 352046988 /nfs/dbraw/zinc/04/69/88/352046988.db2.gz PHKCFUZSWJPZDY-POYBYMJQSA-N 1 0 217.721 2.438 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H](F)C1 ZINC000336262878 191145653 /nfs/dbraw/zinc/14/56/53/191145653.db2.gz HLURNQCHKNYJFM-OLZOCXBDSA-N 1 0 228.355 2.293 10 0 BEAERO CC[C@H](CC(=O)NC[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000638164322 352032382 /nfs/dbraw/zinc/03/23/82/352032382.db2.gz HCLUBKWHEBFZAB-VXGBXAGGSA-N 1 0 240.391 2.175 10 0 BEAERO C1=C[C@H]2C[C@@H]1C[C@H]2[NH2+]C[C@@H]1CCCS1 ZINC000307348172 352112282 /nfs/dbraw/zinc/11/22/82/352112282.db2.gz QWWBFEGNWURSHF-NOOOWODRSA-N 1 0 209.358 2.436 10 0 BEAERO Cc1cc(C=O)ccc1N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053245789 187612016 /nfs/dbraw/zinc/61/20/16/187612016.db2.gz FJBZKWCMWOQBSR-CQSZACIVSA-N 1 0 246.354 2.338 10 0 BEAERO CCN1CCC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638407655 352213292 /nfs/dbraw/zinc/21/32/92/352213292.db2.gz CLKPUNVCQBXQOK-CRWXNKLISA-N 1 0 222.376 2.106 10 0 BEAERO C[C@H]1C[NH2+][C@H](c2ccc3c(c2)OCO3)C1 ZINC000003704358 187643773 /nfs/dbraw/zinc/64/37/73/187643773.db2.gz VYZZRBCMRUYOJJ-SCZZXKLOSA-N 1 0 205.257 2.086 10 0 BEAERO CC(C)c1nsc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000083671006 352304272 /nfs/dbraw/zinc/30/42/72/352304272.db2.gz GLCPBHHOHBTQQZ-MRVPVSSYSA-N 1 0 228.365 2.057 10 0 BEAERO CCCC(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725271439 538102952 /nfs/dbraw/zinc/10/29/52/538102952.db2.gz MZKGRCMUUFHQDZ-NSHDSACASA-N 1 0 218.300 2.371 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638582745 352413452 /nfs/dbraw/zinc/41/34/52/352413452.db2.gz TVEBSFOKJAPIMU-WRWGMCAJSA-N 1 0 211.349 2.029 10 0 BEAERO C[C@]1([C@@H]([NH3+])c2cscn2)CCCS1 ZINC000307367787 352452543 /nfs/dbraw/zinc/45/25/43/352452543.db2.gz MKNCCARNULNNJD-DTWKUNHWSA-N 1 0 214.359 2.429 10 0 BEAERO C[N@H+](Cc1ccnc(Cl)n1)[C@@H]1CCSC1 ZINC000307374759 352472894 /nfs/dbraw/zinc/47/28/94/352472894.db2.gz TXMJQZCZITVMKB-SECBINFHSA-N 1 0 243.763 2.067 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@@H]([S@](=O)C(C)(C)C)C1 ZINC000252168951 363189067 /nfs/dbraw/zinc/18/90/67/363189067.db2.gz QWOTVVNOBUZYRU-YCWTYVPXSA-N 1 0 217.378 2.050 10 0 BEAERO CCN(CC(C)C)[C@H]1C[NH2+][C@@H](C(C)C)C1 ZINC000725272106 538103635 /nfs/dbraw/zinc/10/36/35/538103635.db2.gz HIECZKHUPFKADT-CHWSQXEVSA-N 1 0 212.381 2.351 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C[C@H]1CCC(C)(C)C1=O ZINC000252174067 363190070 /nfs/dbraw/zinc/19/00/70/363190070.db2.gz OPJVBMSGZUQRDI-GHMZBOCLSA-N 1 0 209.333 2.476 10 0 BEAERO C/C=C/CNc1cc(N)[nH+]cc1Br ZINC000307387205 352547543 /nfs/dbraw/zinc/54/75/43/352547543.db2.gz MIGXTXJOHMCTHX-NSCUHMNNSA-N 1 0 242.120 2.414 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638663652 352507723 /nfs/dbraw/zinc/50/77/23/352507723.db2.gz RNEWRENGWUXRTL-RKQHYHRCSA-N 1 0 223.360 2.173 10 0 BEAERO Cn1ccnc1S[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000035722670 180753712 /nfs/dbraw/zinc/75/37/12/180753712.db2.gz OPNWDKJCCMAFPN-NXEZZACHSA-N 1 0 225.361 2.030 10 0 BEAERO Cn1ccnc1S[C@H](C[NH3+])c1cccs1 ZINC000043112452 180753751 /nfs/dbraw/zinc/75/37/51/180753751.db2.gz BGIKBBWNXWKIFM-SECBINFHSA-N 1 0 239.369 2.274 10 0 BEAERO Cn1ccnc1S[C@H](C[NH3+])c1ccccc1 ZINC000042900235 180754531 /nfs/dbraw/zinc/75/45/31/180754531.db2.gz IYHBDLFXIAVDNC-LLVKDONJSA-N 1 0 233.340 2.212 10 0 BEAERO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH+](C)C ZINC000232268464 352590727 /nfs/dbraw/zinc/59/07/27/352590727.db2.gz CFSNFROKKAIAQQ-SNVBAGLBSA-N 1 0 230.352 2.194 10 0 BEAERO CSC(C)(C)CNC1=[NH+]CCCS1 ZINC000229125294 352591298 /nfs/dbraw/zinc/59/12/98/352591298.db2.gz AYDLJQFLYZHYKT-UHFFFAOYSA-N 1 0 218.391 2.211 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@]2(C)C[C@H]2F)sn1 ZINC000307436301 352595795 /nfs/dbraw/zinc/59/57/95/352595795.db2.gz SWOMZABUAJWAIV-HRDYMLBCSA-N 1 0 200.282 2.199 10 0 BEAERO Cc1nc(C2(C[NH3+])CC2)ccc1Br ZINC000307441405 352597159 /nfs/dbraw/zinc/59/71/59/352597159.db2.gz AMYVUDBKVOTNAY-UHFFFAOYSA-N 1 0 241.132 2.143 10 0 BEAERO FC1(F)CC([NH2+]C[C@H]2CCC=CO2)C1 ZINC000307474933 352619023 /nfs/dbraw/zinc/61/90/23/352619023.db2.gz AOQHFXLLWPFDBB-SECBINFHSA-N 1 0 203.232 2.066 10 0 BEAERO O[C@H](Cc1sccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000307466130 352615950 /nfs/dbraw/zinc/61/59/50/352615950.db2.gz ANFSCPNNXLTCSP-DTWKUNHWSA-N 1 0 231.748 2.057 10 0 BEAERO C[C@@H](C[NH3+])Nc1cc(F)ccc1Br ZINC000232239042 352562023 /nfs/dbraw/zinc/56/20/23/352562023.db2.gz WUUADAQNPPWPMO-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO Cc1cc([C@]2(C)CC[C@@H](C[NH3+])O2)cs1 ZINC000307399388 352572304 /nfs/dbraw/zinc/57/23/04/352572304.db2.gz WKFPWFLIDCEYGL-QWRGUYRKSA-N 1 0 211.330 2.409 10 0 BEAERO Cc1c(N)cncc1C1=CC[C@@](C)([NH3+])CC1 ZINC000725272836 538104680 /nfs/dbraw/zinc/10/46/80/538104680.db2.gz SLIIAGYWTREKHN-CYBMUJFWSA-N 1 0 217.316 2.257 10 0 BEAERO [NH3+][C@H]1CC[C@@H]1Cc1ncccc1Br ZINC000307539579 352644295 /nfs/dbraw/zinc/64/42/95/352644295.db2.gz QMLCSUXCFDAQOD-APPZFPTMSA-N 1 0 241.132 2.124 10 0 BEAERO Cc1ccc(C)n1NC(=[NH2+])NCc1ccccc1 ZINC000307547322 352646409 /nfs/dbraw/zinc/64/64/09/352646409.db2.gz STKXHBNSKOQVEH-UHFFFAOYSA-N 1 0 242.326 2.373 10 0 BEAERO CC(C)(CO)S[C@H]1CCCCC[C@H]1[NH3+] ZINC000307547669 352646727 /nfs/dbraw/zinc/64/67/27/352646727.db2.gz UEWFHUAMTWOZNE-ZJUUUORDSA-N 1 0 217.378 2.151 10 0 BEAERO [NH3+][C@@H](Cc1sccc1Cl)[C@H]1CCCO1 ZINC000307550330 352647462 /nfs/dbraw/zinc/64/74/62/352647462.db2.gz QYBSBISWPZVRBT-DTWKUNHWSA-N 1 0 231.748 2.450 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)OCc1ccccc1 ZINC000307568557 352656927 /nfs/dbraw/zinc/65/69/27/352656927.db2.gz WBNSVMJUJSKOFN-WCQYABFASA-N 1 0 233.311 2.118 10 0 BEAERO NC(=S)c1c[nH+]ccc1NCc1ccccc1 ZINC000307573930 352658276 /nfs/dbraw/zinc/65/82/76/352658276.db2.gz GONUXBFXONZBDB-UHFFFAOYSA-N 1 0 243.335 2.328 10 0 BEAERO C[C@@H](NC1=[NH+]CCCS1)C(C)(F)F ZINC000307594161 352664744 /nfs/dbraw/zinc/66/47/44/352664744.db2.gz JWNLNPQBEJWISW-ZCFIWIBFSA-N 1 0 208.277 2.113 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@]1(F)c1ccns1 ZINC000307606877 352668587 /nfs/dbraw/zinc/66/85/87/352668587.db2.gz BUCNUQHUYCGTSE-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO [NH3+]Cc1cc(OC(F)F)ccc1Cl ZINC000307517146 352632717 /nfs/dbraw/zinc/63/27/17/352632717.db2.gz WXDASIOACVLOML-UHFFFAOYSA-N 1 0 207.607 2.400 10 0 BEAERO C[C@H]([NH3+])[C@](C)(O)Cc1sccc1Cl ZINC000307614135 352670723 /nfs/dbraw/zinc/67/07/23/352670723.db2.gz NUQJUKLVGRQXRT-IMTBSYHQSA-N 1 0 219.737 2.042 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCCC2(CC2)CC1 ZINC000638756577 352687307 /nfs/dbraw/zinc/68/73/07/352687307.db2.gz OOLFZBAZVPTIEW-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1cc(O)cc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000638755826 352689340 /nfs/dbraw/zinc/68/93/40/352689340.db2.gz CJKYCRFTZCMJKB-LBPRGKRZSA-N 1 0 236.315 2.013 10 0 BEAERO C[C@@]1(c2nc(C[NH3+])cs2)CCCS1 ZINC000307651169 352742920 /nfs/dbraw/zinc/74/29/20/352742920.db2.gz LHNLWPHLKWSFLM-VIFPVBQESA-N 1 0 214.359 2.344 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cccnc2)C[C@@H]1C ZINC000049694148 535188144 /nfs/dbraw/zinc/18/81/44/535188144.db2.gz ZKWCURUUYIWEAS-GXTWGEPZSA-N 1 0 233.359 2.296 10 0 BEAERO F[C@H](c1cnsc1)[C@@H]1CCC[NH2+]C1 ZINC000405066146 352749246 /nfs/dbraw/zinc/74/92/46/352749246.db2.gz DFDOIUSYRWPRGU-APPZFPTMSA-N 1 0 200.282 2.153 10 0 BEAERO [NH3+]C1CCC(F)(c2cnsc2)CC1 ZINC000405067399 352749321 /nfs/dbraw/zinc/74/93/21/352749321.db2.gz DTEDHRXNLOPESO-UHFFFAOYSA-N 1 0 200.282 2.209 10 0 BEAERO [NH3+][C@@H]1CCC[C@@](F)(c2cnsc2)C1 ZINC000405072166 352791551 /nfs/dbraw/zinc/79/15/51/352791551.db2.gz HHMYCPQAQWQBHE-BDAKNGLRSA-N 1 0 200.282 2.209 10 0 BEAERO CC(C)(O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000334237872 352856374 /nfs/dbraw/zinc/85/63/74/352856374.db2.gz SGVAHYBQIQMION-ZDUSSCGKSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1CC[C@@H](OCc2ccccc2)C[NH2+]1 ZINC000307687272 352920484 /nfs/dbraw/zinc/92/04/84/352920484.db2.gz DEBGJUYVFNWVSW-DGCLKSJQSA-N 1 0 205.301 2.344 10 0 BEAERO CN1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000231359803 538106020 /nfs/dbraw/zinc/10/60/20/538106020.db2.gz GUIJFNHRAFCODD-BXUZGUMPSA-N 1 0 246.354 2.063 10 0 BEAERO [NH3+][C@H](c1ccns1)C1CC(F)(F)C1 ZINC000307691224 352936246 /nfs/dbraw/zinc/93/62/46/352936246.db2.gz ONYWUYDJJFRYRX-ZETCQYMHSA-N 1 0 204.245 2.188 10 0 BEAERO CCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037184406 535191528 /nfs/dbraw/zinc/19/15/28/535191528.db2.gz FBYOCXNKUIXRJY-NSHDSACASA-N 1 0 218.300 2.094 10 0 BEAERO CC(C)([NH3+])Cc1nc2c(s1)CCCC2 ZINC000011883800 187930830 /nfs/dbraw/zinc/93/08/30/187930830.db2.gz BHGANRAZWJAMRZ-UHFFFAOYSA-N 1 0 210.346 2.302 10 0 BEAERO CC(C)(C[NH3+])[C@@H](O)c1occc1Br ZINC000232513985 352978539 /nfs/dbraw/zinc/97/85/39/352978539.db2.gz GGGCMNXLNSLHKG-QMMMGPOBSA-N 1 0 248.120 2.060 10 0 BEAERO COc1ccccc1[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC000238369543 323946703 /nfs/dbraw/zinc/94/67/03/323946703.db2.gz NFDCQXVGLRUBCP-USWWRNFRSA-N 1 0 203.285 2.018 10 0 BEAERO CC(C)([NH3+])c1noc(-c2cccc(F)c2)n1 ZINC000041052854 187945915 /nfs/dbraw/zinc/94/59/15/187945915.db2.gz SBJDNZONPNMMBE-UHFFFAOYSA-N 1 0 221.235 2.070 10 0 BEAERO Brc1ccc(C[C@H]2C=CC[NH2+]2)o1 ZINC000306662081 353032922 /nfs/dbraw/zinc/03/29/22/353032922.db2.gz PBVVGTCMKBLQKA-SSDOTTSWSA-N 1 0 228.089 2.113 10 0 BEAERO CC[C@](C)(NC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000638857493 353034028 /nfs/dbraw/zinc/03/40/28/353034028.db2.gz GNAFXDOEZJLJGU-OVGLSYRBSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@](C)(NC(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000638858792 353035569 /nfs/dbraw/zinc/03/55/69/353035569.db2.gz VYHUXOXSEGWPIV-FZMZJTMJSA-N 1 0 238.375 2.071 10 0 BEAERO [NH2+]=C1N[C@H](c2cc(Cl)sc2Cl)CO1 ZINC000306215279 352995618 /nfs/dbraw/zinc/99/56/18/352995618.db2.gz INMZCYRFZFUYRO-BYPYZUCNSA-N 1 0 237.111 2.441 10 0 BEAERO CC(C)[C@H]([NH3+])c1nncn1C1CCCCC1 ZINC000019477103 187934630 /nfs/dbraw/zinc/93/46/30/187934630.db2.gz ZHPBQMARZSSISN-NSHDSACASA-N 1 0 222.336 2.439 10 0 BEAERO Cc1cc(C)n(-c2ccc(C[NH3+])cc2F)n1 ZINC000020469817 187936492 /nfs/dbraw/zinc/93/64/92/187936492.db2.gz ZUPAMIYTAFHJBU-UHFFFAOYSA-N 1 0 219.263 2.087 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)Cc1ccccc1 ZINC000082379438 187947477 /nfs/dbraw/zinc/94/74/77/187947477.db2.gz SIGNIPUKMBDIBA-LBPRGKRZSA-N 1 0 205.301 2.172 10 0 BEAERO CCC1(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000638890267 353058699 /nfs/dbraw/zinc/05/86/99/353058699.db2.gz DHXNSFCDWDTNBM-NWDGAFQWSA-N 1 0 238.375 2.010 10 0 BEAERO Cc1cccc(NCC[NH3+])c1Br ZINC000307371867 353071343 /nfs/dbraw/zinc/07/13/43/353071343.db2.gz QGQPJRBVDSLXJO-UHFFFAOYSA-N 1 0 229.121 2.128 10 0 BEAERO C[C@@]1(CNc2nccs2)CCCC[NH2+]1 ZINC000306863116 353042667 /nfs/dbraw/zinc/04/26/67/353042667.db2.gz JJBCWORNBWIIFO-JTQLQIEISA-N 1 0 211.334 2.087 10 0 BEAERO CC(C)c1ccc(C(=[NH2+])N2CCN(C)CC2)cc1 ZINC000062995655 187958230 /nfs/dbraw/zinc/95/82/30/187958230.db2.gz LPBIGXPZHWCKLX-UHFFFAOYSA-N 1 0 245.370 2.383 10 0 BEAERO CC(C)(C)c1ccnc([C@@H]2CCC[NH2+]C2)n1 ZINC000070951571 187959402 /nfs/dbraw/zinc/95/94/02/187959402.db2.gz HPFLMHBELCDWFY-SNVBAGLBSA-N 1 0 219.332 2.241 10 0 BEAERO CC[C@@H]1CN(Cc2cccc(F)c2)[C@H](C)C[NH2+]1 ZINC000071343457 187959996 /nfs/dbraw/zinc/95/99/96/187959996.db2.gz LLWRNGJVQVJKKU-BXUZGUMPSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@H](CC[NH3+])C(=O)Nc1ccc(C(C)=O)cc1 ZINC000076633763 187965248 /nfs/dbraw/zinc/96/52/48/187965248.db2.gz AUFSEUALVFSUOE-LLVKDONJSA-N 1 0 248.326 2.203 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2C)CS1 ZINC000336751521 188000452 /nfs/dbraw/zinc/00/04/52/188000452.db2.gz GKWWSTHGIUVBES-BJDJZHNGSA-N 1 0 229.389 2.284 10 0 BEAERO CC(C)(NC1=[NH+]CCC1)c1nccs1 ZINC000232536666 353113809 /nfs/dbraw/zinc/11/38/09/353113809.db2.gz DQXBZCVDODQJDM-UHFFFAOYSA-N 1 0 209.318 2.160 10 0 BEAERO Cc1ccc(Br)cc1CC(N)=[NH2+] ZINC000307546943 353083119 /nfs/dbraw/zinc/08/31/19/353083119.db2.gz MRUJMULHDBDUTK-UHFFFAOYSA-N 1 0 227.105 2.236 10 0 BEAERO CC(C)(C)c1ccccc1OCC(N)=[NH2+] ZINC000019519218 188003289 /nfs/dbraw/zinc/00/32/89/188003289.db2.gz LNEDOHPIVPVZSO-UHFFFAOYSA-N 1 0 206.289 2.299 10 0 BEAERO CCn1ccc([C@@H]2C[NH2+]C[C@@]2(C)CC)n1 ZINC000536951481 323956320 /nfs/dbraw/zinc/95/63/20/323956320.db2.gz RJQJYQWXEPODPT-CMPLNLGQSA-N 1 0 207.321 2.006 10 0 BEAERO CC(C)[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC000034155276 188012956 /nfs/dbraw/zinc/01/29/56/188012956.db2.gz GFQHZHMRYXWCBK-CYBMUJFWSA-N 1 0 204.317 2.041 10 0 BEAERO [NH3+][C@H](Cc1cccs1)C1=COCCC1 ZINC000160068127 353128471 /nfs/dbraw/zinc/12/84/71/353128471.db2.gz GRMNJQAPZNXGQD-LLVKDONJSA-N 1 0 209.314 2.312 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCO[C@@H]2C)cs1 ZINC000129472652 353134490 /nfs/dbraw/zinc/13/44/90/353134490.db2.gz QBJNZHDCTBRPMH-IEBDPFPHSA-N 1 0 211.330 2.481 10 0 BEAERO CC(C)([NH3+])C(=O)N1CC=C(c2ccccc2)CC1 ZINC000040923328 188042609 /nfs/dbraw/zinc/04/26/09/188042609.db2.gz XBKKAYXECZWFAD-UHFFFAOYSA-N 1 0 244.338 2.040 10 0 BEAERO CC(C)=CC[NH2+][C@H](CO)Cc1ccccc1 ZINC000192348245 188004734 /nfs/dbraw/zinc/00/47/34/188004734.db2.gz UGYLFEHXQGDIAA-AWEZNQCLSA-N 1 0 219.328 2.146 10 0 BEAERO CC(C)(C)[C@H](N)c1nc(-c2ccco2)no1 ZINC000054445080 188049020 /nfs/dbraw/zinc/04/90/20/188049020.db2.gz OHJVIUIGQHPMCX-MRVPVSSYSA-N 1 0 221.260 2.376 10 0 BEAERO CC(C)C[C@@H](C(=O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000308915609 538108938 /nfs/dbraw/zinc/10/89/38/538108938.db2.gz IFIACWZRAKZWAQ-VXGBXAGGSA-N 1 0 209.333 2.380 10 0 BEAERO C[N@@H+]1CCc2cccc3c2[C@H]1CCC3=O ZINC000143120485 353156039 /nfs/dbraw/zinc/15/60/39/353156039.db2.gz NJJFNNCHDSQZLW-LLVKDONJSA-N 1 0 201.269 2.192 10 0 BEAERO CCc1nc(CC[NH2+]CCCC(C)C)no1 ZINC000336760849 353171996 /nfs/dbraw/zinc/17/19/96/353171996.db2.gz JYLIBUROIOGVNL-UHFFFAOYSA-N 1 0 225.336 2.200 10 0 BEAERO CCN1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC000336761610 353174198 /nfs/dbraw/zinc/17/41/98/353174198.db2.gz MTTKROQEMWVFGG-ZDUSSCGKSA-N 1 0 212.381 2.497 10 0 BEAERO COP(=O)(C[C@H]1CCCCCC[NH2+]1)OC ZINC000308947384 538109574 /nfs/dbraw/zinc/10/95/74/538109574.db2.gz VIVBGFMIMVWHIQ-SNVBAGLBSA-N 1 0 235.264 2.395 10 0 BEAERO CC1(C)C[C@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000124375396 353165288 /nfs/dbraw/zinc/16/52/88/353165288.db2.gz ZMEDPBSQEDWTRJ-NSHDSACASA-N 1 0 238.375 2.200 10 0 BEAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000638994996 353235468 /nfs/dbraw/zinc/23/54/68/353235468.db2.gz UTZYZNBQJFLYOB-GXSJLCMTSA-N 1 0 238.356 2.370 10 0 BEAERO C[C@@H](CC1CCC1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000638995744 353237913 /nfs/dbraw/zinc/23/79/13/353237913.db2.gz FRWBOBFBABGDIU-FZMZJTMJSA-N 1 0 238.375 2.214 10 0 BEAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000638994133 353225439 /nfs/dbraw/zinc/22/54/39/353225439.db2.gz JTSMCNDWIPTIEL-BDAKNGLRSA-N 1 0 224.329 2.122 10 0 BEAERO FC(F)(F)c1csc(C[C@@H]2CCC[NH2+]2)n1 ZINC000053252857 180897988 /nfs/dbraw/zinc/89/79/88/180897988.db2.gz UMBIGWJOGPVDRY-LURJTMIESA-N 1 0 236.262 2.456 10 0 BEAERO Clc1cnc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000225310156 538111878 /nfs/dbraw/zinc/11/18/78/538111878.db2.gz RGVOEQKWVNLSFU-QMMMGPOBSA-N 1 0 246.763 2.455 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)CC1CCC1 ZINC000638997445 353243741 /nfs/dbraw/zinc/24/37/41/353243741.db2.gz QMJQTRXAQAQCHA-JQWIXIFHSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)CC1CCC1 ZINC000638997444 353243867 /nfs/dbraw/zinc/24/38/67/353243867.db2.gz QMJQTRXAQAQCHA-CMPLNLGQSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H]1OCC[C@@]1([NH3+])Cc1ccc(Cl)s1 ZINC000127312884 353266181 /nfs/dbraw/zinc/26/61/81/353266181.db2.gz ZQWLFSFASICRGZ-OIBJUYFYSA-N 1 0 231.748 2.450 10 0 BEAERO C[C@@H](CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C(C)(C)C ZINC000226119187 188253761 /nfs/dbraw/zinc/25/37/61/188253761.db2.gz RDNMQVYIYNJKQW-TUAOUCFPSA-N 1 0 240.391 2.268 10 0 BEAERO CC(C)([NH3+])c1ccc2c(c1)OCCCO2 ZINC000036158182 188278495 /nfs/dbraw/zinc/27/84/95/188278495.db2.gz MIQDWYPZFKYZOQ-UHFFFAOYSA-N 1 0 207.273 2.042 10 0 BEAERO Cc1cc(N)c[nH+]c1NCc1ccco1 ZINC000036241416 188278888 /nfs/dbraw/zinc/27/88/88/188278888.db2.gz OIRAZHUNOGMVFO-UHFFFAOYSA-N 1 0 203.245 2.177 10 0 BEAERO COc1cc(Br)ccc1C[C@@H](C)[NH3+] ZINC000013450393 188279420 /nfs/dbraw/zinc/27/94/20/188279420.db2.gz YWONMRKCBJPFCM-SSDOTTSWSA-N 1 0 244.132 2.347 10 0 in-vivo BEAERO C[C@@H]([NH2+][C@@H](C)C1CC1)C(=O)N1CCCCCC1 ZINC000035140342 188285491 /nfs/dbraw/zinc/28/54/91/188285491.db2.gz JHFKNSMCEZNCAU-NWDGAFQWSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000037264813 188287175 /nfs/dbraw/zinc/28/71/75/188287175.db2.gz WDSWQKCRJJAMIJ-NWDGAFQWSA-N 1 0 240.391 2.458 10 0 BEAERO CC(C)C[C@@H](C)N(C)C(=O)CC[NH2+]C(C)C ZINC000037807353 188287958 /nfs/dbraw/zinc/28/79/58/188287958.db2.gz ZCKHOAYDLOYLHN-GFCCVEGCSA-N 1 0 228.380 2.268 10 0 BEAERO CN(CC1CC1)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037925153 188289369 /nfs/dbraw/zinc/28/93/69/188289369.db2.gz UPYBNHIAJUMQBU-ZDUSSCGKSA-N 1 0 240.297 2.306 10 0 BEAERO COc1ccc([C@@H](N)[C@H](C)[N@H+](C)CC2CC2)cc1 ZINC000037925414 188289623 /nfs/dbraw/zinc/28/96/23/188289623.db2.gz IXKNXVHGBVFMRX-NHYWBVRUSA-N 1 0 248.370 2.425 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@H]([NH3+])CC[S@@]2=O ZINC000040976359 188292599 /nfs/dbraw/zinc/29/25/99/188292599.db2.gz NMJQOQDXRVDCRT-BDJLRTHQSA-N 1 0 237.368 2.495 10 0 BEAERO CC(C)(C)[C@H](C[NH3+])N1CCc2sccc2C1 ZINC000041051508 188292986 /nfs/dbraw/zinc/29/29/86/188292986.db2.gz QVFBUECCEGRVNA-LBPRGKRZSA-N 1 0 238.400 2.480 10 0 BEAERO Cc1ccsc1C(=O)C1CC[NH2+]CC1 ZINC000042728694 188294661 /nfs/dbraw/zinc/29/46/61/188294661.db2.gz IPNAJZAFBCRQAO-UHFFFAOYSA-N 1 0 209.314 2.239 10 0 BEAERO CC(C)(C)[C@H]([NH3+])Cn1ccc(C(F)(F)F)n1 ZINC000043298499 188295582 /nfs/dbraw/zinc/29/55/82/188295582.db2.gz XTBBYAAXIGJZCO-SSDOTTSWSA-N 1 0 235.253 2.275 10 0 BEAERO [NH3+]Cc1cccc(Oc2ccc(F)cn2)c1 ZINC000043558717 188295821 /nfs/dbraw/zinc/29/58/21/188295821.db2.gz GJENECIEWMLRCO-UHFFFAOYSA-N 1 0 218.231 2.472 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CCCCN1C)c1ccccn1 ZINC000044562055 188296799 /nfs/dbraw/zinc/29/67/99/188296799.db2.gz DQFBLTRVAWEUDJ-CHWSQXEVSA-N 1 0 233.359 2.217 10 0 BEAERO C[NH2+][C@@H]1CCN(CCc2ccsc2)[C@@H](C)C1 ZINC000049713602 188298621 /nfs/dbraw/zinc/29/86/21/188298621.db2.gz PTIDRIHEKABQRC-WCQYABFASA-N 1 0 238.400 2.363 10 0 BEAERO COc1ccc([C@@]2(C)CCC[NH2+]2)cc1F ZINC000085698151 188299223 /nfs/dbraw/zinc/29/92/23/188299223.db2.gz QPOIWWRTDOBIQC-GFCCVEGCSA-N 1 0 209.264 2.433 10 0 BEAERO C[C@@H]1C[NH2+][C@H](C)CCN(Cc2ccco2)C1 ZINC000049664339 188299271 /nfs/dbraw/zinc/29/92/71/188299271.db2.gz BZDBMEBSTGHCTD-VXGBXAGGSA-N 1 0 222.332 2.100 10 0 BEAERO [NH3+]Cc1cccc(Oc2ccccc2F)n1 ZINC000051546925 188299688 /nfs/dbraw/zinc/29/96/88/188299688.db2.gz URFIUAULZGNLJP-UHFFFAOYSA-N 1 0 218.231 2.472 10 0 BEAERO C(c1nc(C2CCCCC2)n[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000054302128 188300310 /nfs/dbraw/zinc/30/03/10/188300310.db2.gz YMKGHQHHYHEPII-NSHDSACASA-N 1 0 248.374 2.395 10 0 BEAERO CC(C)(C)c1nc(N2CCCC2)sc1C[NH3+] ZINC000054995137 188300351 /nfs/dbraw/zinc/30/03/51/188300351.db2.gz RUPMUXLGOSSKLL-UHFFFAOYSA-N 1 0 239.388 2.500 10 0 BEAERO CCCn1cnnc1[C@@H]([NH3+])C1CCCCC1 ZINC000054497918 188300940 /nfs/dbraw/zinc/30/09/40/188300940.db2.gz SEIOEBWGTOSVMU-NSHDSACASA-N 1 0 222.336 2.268 10 0 BEAERO C[C@@H]1C[NH2+][C@H](C)CCN(CCC(F)(F)F)C1 ZINC000063101193 188303826 /nfs/dbraw/zinc/30/38/26/188303826.db2.gz UVHFEUZJAZZGPH-NXEZZACHSA-N 1 0 238.297 2.259 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@H](CC[NH3+])C(=O)N2 ZINC000071483453 188305746 /nfs/dbraw/zinc/30/57/46/188305746.db2.gz SGAKPRYTVAARMW-JTQLQIEISA-N 1 0 232.327 2.369 10 0 BEAERO CCc1cccc(C)c1NC(=O)C1(C[NH3+])CC1 ZINC000077364006 188311334 /nfs/dbraw/zinc/31/13/34/188311334.db2.gz QEWCUHHXFVXBNO-UHFFFAOYSA-N 1 0 232.327 2.235 10 0 BEAERO Cc1c(Cl)cccc1NC(=O)C1(C[NH3+])CC1 ZINC000077384322 188311888 /nfs/dbraw/zinc/31/18/88/188311888.db2.gz SZALWYWKDUKMJT-UHFFFAOYSA-N 1 0 238.718 2.326 10 0 BEAERO COc1ccc([C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000079902887 188312421 /nfs/dbraw/zinc/31/24/21/188312421.db2.gz DDZNXOFZSMIJDI-ZYHUDNBSSA-N 1 0 235.327 2.417 10 0 BEAERO CC(C)([NH3+])c1ncc(Br)s1 ZINC000082364847 188313167 /nfs/dbraw/zinc/31/31/67/188313167.db2.gz NTIOBQNYPPUIID-UHFFFAOYSA-N 1 0 221.123 2.099 10 0 BEAERO Cc1cnc(SC[C@H]2CCCC[NH2+]2)nc1 ZINC000043495602 188324957 /nfs/dbraw/zinc/32/49/57/188324957.db2.gz SLBVTICTUOWMKW-SNVBAGLBSA-N 1 0 223.345 2.019 10 0 BEAERO CC(C)C[C@@H](O)C[C@@H]([NH3+])c1ccccc1 ZINC000044139014 188326554 /nfs/dbraw/zinc/32/65/54/188326554.db2.gz NZHROOBQXAVQKV-CHWSQXEVSA-N 1 0 207.317 2.484 10 0 BEAERO Cc1nn(C)cc1C[NH2+]CCC1=CCCC1 ZINC000119322413 188328380 /nfs/dbraw/zinc/32/83/80/188328380.db2.gz FPLXBSVPBZANIE-UHFFFAOYSA-N 1 0 219.332 2.319 10 0 BEAERO COc1c(C[NH2+][C@@H]2CC[C@H](C)C2)c(C)nn1C ZINC000123008897 324073702 /nfs/dbraw/zinc/07/37/02/324073702.db2.gz BCJQELRJHVHDHZ-GXSJLCMTSA-N 1 0 237.347 2.015 10 0 BEAERO [NH3+][C@@H](C[C@@H]1CCCO1)c1ccccc1F ZINC000052897867 188334167 /nfs/dbraw/zinc/33/41/67/188334167.db2.gz JZHFZRCLRWTMER-CABZTGNLSA-N 1 0 209.264 2.395 10 0 BEAERO C[C@H]1[NH+]=C(NC2CCC2)Nc2ccccc21 ZINC000029130511 188357640 /nfs/dbraw/zinc/35/76/40/188357640.db2.gz IAOSQRYQTIULAL-SECBINFHSA-N 1 0 215.300 2.480 10 0 BEAERO COC[C@H](C)C[NH2+]C[C@H](OC)c1ccccc1 ZINC000123116533 324082377 /nfs/dbraw/zinc/08/23/77/324082377.db2.gz GUODHJPUVGVKET-OCCSQVGLSA-N 1 0 237.343 2.246 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336758491 188347161 /nfs/dbraw/zinc/34/71/61/188347161.db2.gz KRONKSUCEUWRTF-IJLUTSLNSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336758490 188347638 /nfs/dbraw/zinc/34/76/38/188347638.db2.gz KRONKSUCEUWRTF-GRYCIOLGSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)N(C)C(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339505810 188349311 /nfs/dbraw/zinc/34/93/11/188349311.db2.gz CYIMCRHSKGRWBG-NSHDSACASA-N 1 0 226.364 2.020 10 0 BEAERO C[C@@H](C[NH3+])c1csc(-c2ccco2)n1 ZINC000165514588 353381394 /nfs/dbraw/zinc/38/13/94/353381394.db2.gz OBNIVWJPYACGSR-ZETCQYMHSA-N 1 0 208.286 2.465 10 0 BEAERO CC(C)[N@H+](C)Cc1ccccc1C(N)=S ZINC000019512916 188350336 /nfs/dbraw/zinc/35/03/36/188350336.db2.gz AHYNYIWJNBVKJI-UHFFFAOYSA-N 1 0 222.357 2.161 10 0 BEAERO OCC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020049368 188351749 /nfs/dbraw/zinc/35/17/49/188351749.db2.gz PPZGVMFJWUKLMO-UHFFFAOYSA-N 1 0 234.126 2.118 10 0 BEAERO CCOc1cncc(/C=C/C[C@H](C)[NH2+]C)c1 ZINC000034017309 188359856 /nfs/dbraw/zinc/35/98/56/188359856.db2.gz KJZMFQZAEDAMAE-ZRQQLDRUSA-N 1 0 220.316 2.492 10 0 BEAERO CN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062569167 188360726 /nfs/dbraw/zinc/36/07/26/188360726.db2.gz CTOBALXPEQYGEO-GFCCVEGCSA-N 1 0 204.317 2.041 10 0 BEAERO Fc1cc2c(cc1F)CC(C[C@@H]1C[NH+]=CN1)C2 ZINC000013862121 180956582 /nfs/dbraw/zinc/95/65/82/180956582.db2.gz AFODDVAUCQPPQC-LLVKDONJSA-N 1 0 236.265 2.070 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000232627200 188364654 /nfs/dbraw/zinc/36/46/54/188364654.db2.gz AIQIODAPTPGPDS-GFCCVEGCSA-N 1 0 232.327 2.308 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])c1ncccc1Br ZINC000133346227 353413424 /nfs/dbraw/zinc/41/34/24/353413424.db2.gz DBOVGACUNPMBNY-HZGVNTEJSA-N 1 0 227.105 2.038 10 0 BEAERO Fc1ccc(N2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053012307 180976311 /nfs/dbraw/zinc/97/63/11/180976311.db2.gz MLDKECXFOSTHBV-LLVKDONJSA-N 1 0 234.318 2.404 10 0 BEAERO Fc1ccc2oc([C@H]3CC[NH2+]C3)nc2c1 ZINC000035446893 180992809 /nfs/dbraw/zinc/99/28/09/180992809.db2.gz FEVDTPYNDIOAPF-ZETCQYMHSA-N 1 0 206.220 2.044 10 0 BEAERO CC(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916824 358479953 /nfs/dbraw/zinc/47/99/53/358479953.db2.gz YBLWQFFCYPOZGU-OLZOCXBDSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](C[NH3+])Nc1c(F)cccc1Br ZINC000232122205 353690812 /nfs/dbraw/zinc/69/08/12/353690812.db2.gz PGUMILBZWDHSEB-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO Fc1cccc(COC2CC[NH2+]CC2)c1F ZINC000036888948 180998108 /nfs/dbraw/zinc/99/81/08/180998108.db2.gz GZFUMXPRAZRFRU-UHFFFAOYSA-N 1 0 227.254 2.233 10 0 BEAERO Fc1cccc(Cl)c1[C@H]1C[NH2+]CO1 ZINC000071508322 181000730 /nfs/dbraw/zinc/00/07/30/181000730.db2.gz MEPKTUKJOXNFKO-MRVPVSSYSA-N 1 0 201.628 2.098 10 0 BEAERO C[C@@H]1CC[C@H](Nc2cccc(F)c2C#N)C[NH2+]1 ZINC000399047649 353741683 /nfs/dbraw/zinc/74/16/83/353741683.db2.gz VFFKRECICIBIDR-ZJUUUORDSA-N 1 0 233.290 2.250 10 0 BEAERO C[C@H]1CC[C@H](c2nc(Br)co2)C[NH2+]1 ZINC000606302898 353858017 /nfs/dbraw/zinc/85/80/17/353858017.db2.gz ANLAMOBTMNHLNL-BQBZGAKWSA-N 1 0 245.120 2.293 10 0 BEAERO CO[C@H](C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000639135191 353845089 /nfs/dbraw/zinc/84/50/89/353845089.db2.gz HYURKOSPYNGRCT-GFQSEFKGSA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000343528694 353928786 /nfs/dbraw/zinc/92/87/86/353928786.db2.gz BBLUSJHDYLWYBV-XVIXHAIJSA-N 1 0 241.375 2.347 10 0 BEAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCO1 ZINC000343528691 353928905 /nfs/dbraw/zinc/92/89/05/353928905.db2.gz BBLUSJHDYLWYBV-HKUMRIAESA-N 1 0 241.375 2.347 10 0 BEAERO COCCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000230643756 363315857 /nfs/dbraw/zinc/31/58/57/363315857.db2.gz WYROMTGHUYMCDR-SNVBAGLBSA-N 1 0 212.293 2.060 10 0 BEAERO CC(C)([NH3+])C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000301028961 363339077 /nfs/dbraw/zinc/33/90/77/363339077.db2.gz UADLGSUMKONUEX-ZETCQYMHSA-N 1 0 205.248 2.118 10 0 BEAERO C[C@H]1C[N@H+](C)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000390255415 354387766 /nfs/dbraw/zinc/38/77/66/354387766.db2.gz WFNALLOMRMDNSP-GWCFXTLKSA-N 1 0 239.746 2.499 10 0 BEAERO [NH3+][C@@H]1CCCCCC[C@H]1OCC(F)F ZINC000130581579 363391145 /nfs/dbraw/zinc/39/11/45/363391145.db2.gz BKKYPVDGPBTVDG-RKDXNWHRSA-N 1 0 207.264 2.318 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000040502010 358492929 /nfs/dbraw/zinc/49/29/29/358492929.db2.gz KGOZQKOUUDGXPC-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CCC(C)(C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000335202664 355036799 /nfs/dbraw/zinc/03/67/99/355036799.db2.gz ILUWZRMVNJGAIS-NWDGAFQWSA-N 1 0 238.375 2.118 10 0 BEAERO NC(=[NH2+])CO[C@@H]1CCCc2ccccc21 ZINC000019519184 181186725 /nfs/dbraw/zinc/18/67/25/181186725.db2.gz ULDZXRAKGLHBGQ-LLVKDONJSA-N 1 0 204.273 2.017 10 0 BEAERO NC(=[NH2+])CCc1ccccc1Br ZINC000071533017 181186263 /nfs/dbraw/zinc/18/62/63/181186263.db2.gz BQPILXGZEVILCN-UHFFFAOYSA-N 1 0 227.105 2.318 10 0 BEAERO CC[C@@H]1CN(C/C=C\Cl)C(C)(C)C[NH2+]1 ZINC000308407923 355443948 /nfs/dbraw/zinc/44/39/48/355443948.db2.gz BOLJDSMHAVPJSM-WWQCOOJYSA-N 1 0 216.756 2.201 10 0 BEAERO NC(=[NH2+])c1cccc(-c2cc(F)ccc2F)n1 ZINC000071186740 181194962 /nfs/dbraw/zinc/19/49/62/181194962.db2.gz YXOPKWVZNXZIDY-UHFFFAOYSA-N 1 0 233.221 2.311 10 0 BEAERO NC(=[NH2+])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000001598645 181195063 /nfs/dbraw/zinc/19/50/63/181195063.db2.gz VYBXXCVSGLRMGC-UHFFFAOYSA-N 1 0 213.284 2.331 10 0 BEAERO NC(=[NH2+])c1ccc(OCc2ccncc2)c(F)c1 ZINC000062566090 181195139 /nfs/dbraw/zinc/19/51/39/181195139.db2.gz REMINCRVRNQMNY-UHFFFAOYSA-N 1 0 245.257 2.084 10 0 BEAERO CC[C@H]([NH3+])[C@H]1Cc2ccc(C)cc2C1=O ZINC000166484053 355532583 /nfs/dbraw/zinc/53/25/83/355532583.db2.gz BQRQTRLKHBJAMW-NEPJUHHUSA-N 1 0 203.285 2.087 10 0 BEAERO NC(=[NH2+])c1ccnc(Oc2cc(F)cc(F)c2)c1 ZINC000054933179 181197718 /nfs/dbraw/zinc/19/77/18/181197718.db2.gz XUJFSHAJZIJQCK-UHFFFAOYSA-N 1 0 249.220 2.436 10 0 BEAERO [NH2+]=C(N1CCOCC1)C1(c2ccccc2)CCC1 ZINC000062995566 181197900 /nfs/dbraw/zinc/19/79/00/181197900.db2.gz DGWDWLNWICKUSN-UHFFFAOYSA-N 1 0 244.338 2.418 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1occc1Br ZINC000300201763 358497125 /nfs/dbraw/zinc/49/71/25/358497125.db2.gz AKUBIZOXDRFJLW-LYFYHCNISA-N 1 0 230.105 2.493 10 0 BEAERO [NH2+]=C1c2ccccc2CN1CCc1ccncc1 ZINC000048262547 181207342 /nfs/dbraw/zinc/20/73/42/181207342.db2.gz HVELWCDRHLDWLV-UHFFFAOYSA-N 1 0 237.306 2.465 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000126719499 324711397 /nfs/dbraw/zinc/71/13/97/324711397.db2.gz OQRAMJKRFVRKNL-YPMHNXCESA-N 1 0 221.348 2.397 10 0 BEAERO [NH2+]=C1c2cc(F)ccc2CN1C[C@@H]1CCOC1 ZINC000071269217 181207785 /nfs/dbraw/zinc/20/77/85/181207785.db2.gz URLDWEAHAJGAIE-VIFPVBQESA-N 1 0 234.274 2.003 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389180670 355763692 /nfs/dbraw/zinc/76/36/92/355763692.db2.gz QHVWLFVHRUBEMP-STQMWFEESA-N 1 0 212.381 2.352 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC000389192280 355835150 /nfs/dbraw/zinc/83/51/50/355835150.db2.gz VRAOCRDOBBSDLD-AWEZNQCLSA-N 1 0 236.334 2.318 10 0 BEAERO CC(C)c1ccc([C@@H](C)[NH2+]CCC(N)=O)cc1 ZINC000035133416 355844238 /nfs/dbraw/zinc/84/42/38/355844238.db2.gz BXVVUIPQFSKTLA-LLVKDONJSA-N 1 0 234.343 2.336 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000389253312 355936757 /nfs/dbraw/zinc/93/67/57/355936757.db2.gz NBMJIGSRIKSJBC-CQSZACIVSA-N 1 0 248.370 2.193 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1occc1Br ZINC000300201764 358499477 /nfs/dbraw/zinc/49/94/77/358499477.db2.gz AKUBIZOXDRFJLW-RRKCRQDMSA-N 1 0 230.105 2.493 10 0 BEAERO CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000216362581 355977102 /nfs/dbraw/zinc/97/71/02/355977102.db2.gz SGVLKLBBMFYEEK-WOPDTQHZSA-N 1 0 240.391 2.315 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000192344134 355981980 /nfs/dbraw/zinc/98/19/80/355981980.db2.gz WJXILHFTHUKIAP-OLZOCXBDSA-N 1 0 209.333 2.500 10 0 BEAERO NC(=O)CCCC[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000037636543 181221599 /nfs/dbraw/zinc/22/15/99/181221599.db2.gz SOQRJEHQTFQMKF-CQSZACIVSA-N 1 0 246.354 2.221 10 0 BEAERO CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000374087140 192015340 /nfs/dbraw/zinc/01/53/40/192015340.db2.gz APKXHIZFRVBTKN-RWMBFGLXSA-N 1 0 211.349 2.268 10 0 BEAERO CCCCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019472616 356482846 /nfs/dbraw/zinc/48/28/46/356482846.db2.gz BUZGPPKGHHAYKP-AVGNSLFASA-N 1 0 238.375 2.166 10 0 BEAERO [NH3+][C@@H]1CCNc2c(Br)cccc21 ZINC000143763264 356472768 /nfs/dbraw/zinc/47/27/68/356472768.db2.gz FAJPIVIOBZXCRX-MRVPVSSYSA-N 1 0 227.105 2.265 10 0 BEAERO C[C@H]1CO[C@H](c2ccc(Cl)s2)C[NH2+]1 ZINC000035286470 356475075 /nfs/dbraw/zinc/47/50/75/356475075.db2.gz PQHXSCSSYWJBPU-BQBZGAKWSA-N 1 0 217.721 2.451 10 0 BEAERO C[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H](C)O1 ZINC000336196819 134126719 /nfs/dbraw/zinc/12/67/19/134126719.db2.gz ZXQUDBWCRZUSFU-RKDXNWHRSA-N 1 0 219.275 2.141 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000381423081 538467963 /nfs/dbraw/zinc/46/79/63/538467963.db2.gz XYAPBEAEFBGENS-UPJWGTAASA-N 1 0 229.364 2.085 10 0 BEAERO C[C@H](CO)[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057522 538480171 /nfs/dbraw/zinc/48/01/71/538480171.db2.gz DRLJQFLYFWQSAG-KYSULMAISA-N 1 0 237.387 2.418 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000160230860 356648650 /nfs/dbraw/zinc/64/86/50/356648650.db2.gz SCHJVKMQECPIGM-OCCSQVGLSA-N 1 0 246.354 2.314 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](c2ccccc2F)CO1 ZINC000675058578 538482459 /nfs/dbraw/zinc/48/24/59/538482459.db2.gz MJEZDZJSAXUQSM-ZJUUUORDSA-N 1 0 209.264 2.047 10 0 BEAERO Cc1ccc([C@H]2C[C@@H]([NH3+])CCN2C)cc1F ZINC000675055462 538475788 /nfs/dbraw/zinc/47/57/88/538475788.db2.gz STKLGMBJIWJYFK-WCQYABFASA-N 1 0 222.307 2.228 10 0 BEAERO CC[C@]1(C(F)(F)F)CC[C@@H](CC[NH3+])O1 ZINC000675056488 538478869 /nfs/dbraw/zinc/47/88/69/538478869.db2.gz KUILUSRQLLUDOV-JGVFFNPUSA-N 1 0 211.227 2.225 10 0 BEAERO Cc1cn2c(n1)[C@@H](C1CCC1)[NH2+]CCC2 ZINC000675068716 538496885 /nfs/dbraw/zinc/49/68/85/538496885.db2.gz RXLVJWNDQJFEIF-LLVKDONJSA-N 1 0 205.305 2.026 10 0 BEAERO Cc1cccc([C@@H]2CC[C@H](C[NH3+])OC2)c1 ZINC000675061033 538486547 /nfs/dbraw/zinc/48/65/47/538486547.db2.gz WOZLPPBNDLWQGR-CHWSQXEVSA-N 1 0 205.301 2.216 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](c2cccc(F)c2)CO1 ZINC000675060820 538487185 /nfs/dbraw/zinc/48/71/85/538487185.db2.gz PXOUEWKTBXNPJJ-CMPLNLGQSA-N 1 0 209.264 2.047 10 0 BEAERO Cc1cccc([C@H]2CC[C@H](C[NH3+])OC2)c1 ZINC000675061035 538487253 /nfs/dbraw/zinc/48/72/53/538487253.db2.gz WOZLPPBNDLWQGR-QWHCGFSZSA-N 1 0 205.301 2.216 10 0 BEAERO CCc1cn2c(n1)[C@H](CCSC)[NH2+]CCC2 ZINC000675068609 538497044 /nfs/dbraw/zinc/49/70/44/538497044.db2.gz QYRLMFCUPHTLGS-NSHDSACASA-N 1 0 239.388 2.233 10 0 BEAERO CCc1ccc2nc(OC)c(C[NH3+])cc2c1 ZINC000675069054 538497426 /nfs/dbraw/zinc/49/74/26/538497426.db2.gz ATYNYFIBGZNCLP-UHFFFAOYSA-N 1 0 216.284 2.265 10 0 BEAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccco1 ZINC000167641335 134153446 /nfs/dbraw/zinc/15/34/46/134153446.db2.gz DJFZDJKVLQHAFH-KOLCDFICSA-N 1 0 211.305 2.337 10 0 BEAERO CC[C@H]1CCCc2sc(CC[NH3+])nc21 ZINC000675076788 538511478 /nfs/dbraw/zinc/51/14/78/538511478.db2.gz QVRXWXFBOMLEFX-QMMMGPOBSA-N 1 0 210.346 2.474 10 0 BEAERO COC(=O)[C@H](C[NH3+])[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000675072432 538503531 /nfs/dbraw/zinc/50/35/31/538503531.db2.gz CHRPOSXEYGVLLH-GARJFASQSA-N 1 0 227.348 2.197 10 0 BEAERO CCCC[NH2+]Cc1c(OC)nsc1OC ZINC000675075752 538510328 /nfs/dbraw/zinc/51/03/28/538510328.db2.gz UYSMOWKUWSJILV-UHFFFAOYSA-N 1 0 230.333 2.050 10 0 BEAERO CC(C)[N@H+](C)CCOc1cncc(Cl)c1 ZINC000675076432 538511007 /nfs/dbraw/zinc/51/10/07/538511007.db2.gz NREIJLBTJUUZMV-UHFFFAOYSA-N 1 0 228.723 2.454 10 0 BEAERO CC[C@@H](C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000083564490 538513578 /nfs/dbraw/zinc/51/35/78/538513578.db2.gz ULUJMJLHLSPHDH-IMTBSYHQSA-N 1 0 248.120 2.060 10 0 BEAERO Cc1cc(-c2cnn3c2C[NH2+]CC3)cnc1Cl ZINC000675077042 538512112 /nfs/dbraw/zinc/51/21/12/538512112.db2.gz WPFOXXQGCBXYRM-UHFFFAOYSA-N 1 0 248.717 2.010 10 0 BEAERO C[C@H]1Cc2sc(CC[NH3+])nc2[C@@H](C)C1 ZINC000675077099 538512611 /nfs/dbraw/zinc/51/26/11/538512611.db2.gz XNIGMGCBWOYYFG-SFYZADRCSA-N 1 0 210.346 2.330 10 0 BEAERO C[C@@H]1C[C@H](C)Cc2sc(CC[NH3+])nc21 ZINC000675077098 538512845 /nfs/dbraw/zinc/51/28/45/538512845.db2.gz XNIGMGCBWOYYFG-JGVFFNPUSA-N 1 0 210.346 2.330 10 0 BEAERO CC(C)CC[NH2+]CCN1C[C@H]2CCC[C@@H]2C1 ZINC000126581244 538534142 /nfs/dbraw/zinc/53/41/42/538534142.db2.gz QESKYQWFYFAFKQ-ZIAGYGMSSA-N 1 0 224.392 2.354 10 0 BEAERO C[NH2+][C@@H](C1=CCCO1)[C@H]1CCCCS1 ZINC000168246480 356697864 /nfs/dbraw/zinc/69/78/64/356697864.db2.gz UPACIEAOYXDUSL-MNOVXSKESA-N 1 0 213.346 2.164 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@H]1CCC[C@@H](C)C1 ZINC000127673586 538547878 /nfs/dbraw/zinc/54/78/78/538547878.db2.gz CUPOFNSDJZLADK-VWYCJHECSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@@](O)(CC[NH3+])c1ccccc1Br ZINC000085899511 538548159 /nfs/dbraw/zinc/54/81/59/538548159.db2.gz NXQJDGUJPOWTPU-SNVBAGLBSA-N 1 0 244.132 2.005 10 0 BEAERO C[C@H](C[NH3+])[C@H](O)c1cc(Cl)cs1 ZINC000086335019 538553825 /nfs/dbraw/zinc/55/38/25/538553825.db2.gz PXHOGNBZCPHOGQ-XRGYYRRGSA-N 1 0 205.710 2.030 10 0 BEAERO C[C@H](C[NH3+])[C@@H](O)c1cc(Cl)cs1 ZINC000086335023 538553947 /nfs/dbraw/zinc/55/39/47/538553947.db2.gz PXHOGNBZCPHOGQ-SVGQVSJJSA-N 1 0 205.710 2.030 10 0 BEAERO CC(C)[C@@H]1CCC(=O)[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000086499615 538555621 /nfs/dbraw/zinc/55/56/21/538555621.db2.gz SGTWBAIHMXUZNB-WOPDTQHZSA-N 1 0 209.333 2.380 10 0 BEAERO O=C(C[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000086499697 538555648 /nfs/dbraw/zinc/55/56/48/538555648.db2.gz GBVOAAXTSJXOQL-VIFPVBQESA-N 1 0 209.314 2.463 10 0 BEAERO Cc1nc(C(=O)C[C@H]2CCC[NH2+]2)c(C)s1 ZINC000086499634 538556143 /nfs/dbraw/zinc/55/61/43/538556143.db2.gz QSDDYYHMCLYSLU-SECBINFHSA-N 1 0 224.329 2.085 10 0 BEAERO O=C1c2ccsc2CC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086499619 538556275 /nfs/dbraw/zinc/55/62/75/538556275.db2.gz KWDAZMKAHWIBBX-WPRPVWTQSA-N 1 0 221.325 2.245 10 0 BEAERO C[C@H]1Oc2c(c(F)ccc2Br)[C@@H]1[NH3+] ZINC000160407760 356705985 /nfs/dbraw/zinc/70/59/85/356705985.db2.gz YUBQFJXFSKVORU-SPGJFGJESA-N 1 0 246.079 2.369 10 0 BEAERO COCc1ccccc1CC[NH2+]C1CC1 ZINC000083969059 538525593 /nfs/dbraw/zinc/52/55/93/538525593.db2.gz FINPAVWCRFNEJY-UHFFFAOYSA-N 1 0 205.301 2.128 10 0 BEAERO CCOC[C@@H]([NH3+])CCCc1ccccc1 ZINC000084063930 538527061 /nfs/dbraw/zinc/52/70/61/538527061.db2.gz HLYWEENWLLQMGC-ZDUSSCGKSA-N 1 0 207.317 2.373 10 0 BEAERO C[C@]1(C[NH2+]C2CC2)CCOc2ccccc21 ZINC000317846800 538608740 /nfs/dbraw/zinc/60/87/40/538608740.db2.gz SKKWTTXHOSZWKY-CQSZACIVSA-N 1 0 217.312 2.479 10 0 BEAERO CCOC(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC000129602351 538577461 /nfs/dbraw/zinc/57/74/61/538577461.db2.gz BOFAEJGIGHBPFL-NSHDSACASA-N 1 0 213.321 2.095 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H](CC(=O)c2nccs2)C1 ZINC000130355317 538588040 /nfs/dbraw/zinc/58/80/40/538588040.db2.gz MADWVPMRLOOLLW-RKDXNWHRSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@H]1CCC[C@@H](CC(=O)c2nccs2)[NH2+]1 ZINC000130357217 538588316 /nfs/dbraw/zinc/58/83/16/538588316.db2.gz UJQYTZTWDNKORB-IUCAKERBSA-N 1 0 224.329 2.247 10 0 BEAERO C[C@@H]1CC[NH2+][C@H](CC(=O)c2ccco2)C1 ZINC000130297678 538589784 /nfs/dbraw/zinc/58/97/84/538589784.db2.gz OBZQRSYDKTWHHQ-ZJUUUORDSA-N 1 0 207.273 2.241 10 0 BEAERO COCc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000088567782 356740767 /nfs/dbraw/zinc/74/07/67/356740767.db2.gz DOHWSWADJOSJIF-HUUCEWRRSA-N 1 0 249.354 2.226 10 0 BEAERO COCc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000088567783 356740783 /nfs/dbraw/zinc/74/07/83/356740783.db2.gz DOHWSWADJOSJIF-LSDHHAIUSA-N 1 0 249.354 2.226 10 0 BEAERO COCc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000088567781 356740813 /nfs/dbraw/zinc/74/08/13/356740813.db2.gz DOHWSWADJOSJIF-GJZGRUSLSA-N 1 0 249.354 2.226 10 0 BEAERO CC[NH2+]C[C@@]1(C)CCOc2ccccc21 ZINC000317544471 538606930 /nfs/dbraw/zinc/60/69/30/538606930.db2.gz BGVJFBLKHRTCEQ-CYBMUJFWSA-N 1 0 205.301 2.336 10 0 BEAERO O=C(C[C@@H]1CCCCC[NH2+]1)c1ccoc1 ZINC000087290627 538566761 /nfs/dbraw/zinc/56/67/61/538566761.db2.gz HPOTZCBSDJGBKR-NSHDSACASA-N 1 0 207.273 2.385 10 0 BEAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ncc[nH]1 ZINC000087341247 538567173 /nfs/dbraw/zinc/56/71/73/538567173.db2.gz VHRJUONIMNFSSW-NSHDSACASA-N 1 0 219.263 2.052 10 0 BEAERO CC(C)c1nn(C)cc1C1CC[NH2+]CC1 ZINC000096869009 538617205 /nfs/dbraw/zinc/61/72/05/538617205.db2.gz OPULGZGJIFNOTL-UHFFFAOYSA-N 1 0 207.321 2.011 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000257588510 538737932 /nfs/dbraw/zinc/73/79/32/538737932.db2.gz YDXVZAXBJZIPGH-NEPJUHHUSA-N 1 0 224.735 2.434 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000623374093 356886513 /nfs/dbraw/zinc/88/65/13/356886513.db2.gz VTLOCKWHJPCFRZ-WDEREUQCSA-N 1 0 240.734 2.128 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020138198 356998642 /nfs/dbraw/zinc/99/86/42/356998642.db2.gz GYWSYNCOQYSNOT-VXGBXAGGSA-N 1 0 235.327 2.462 10 0 BEAERO C[C@@H]([NH3+])Cc1cc(Cl)cc2c1OCC2 ZINC000160475651 356989746 /nfs/dbraw/zinc/98/97/46/356989746.db2.gz IVWYKEZLNCVHMO-SSDOTTSWSA-N 1 0 211.692 2.165 10 0 BEAERO CCN1CC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389572807 356993820 /nfs/dbraw/zinc/99/38/20/356993820.db2.gz WPEMYAXMFBCYQC-OTTFEQOBSA-N 1 0 210.365 2.105 10 0 BEAERO CCCn1cc(C[NH2+][C@@H](C)CSC)cn1 ZINC000130698280 325080782 /nfs/dbraw/zinc/08/07/82/325080782.db2.gz YZWJODLHRCRNIY-JTQLQIEISA-N 1 0 227.377 2.134 10 0 BEAERO CC(C)c1cc(N[C@H]2C[NH2+]CC[C@@H]2C)ncn1 ZINC000389741628 357023672 /nfs/dbraw/zinc/02/36/72/357023672.db2.gz ZURUJURXOHQREX-JQWIXIFHSA-N 1 0 234.347 2.010 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)C(C)C ZINC000300229498 357035353 /nfs/dbraw/zinc/03/53/53/357035353.db2.gz XZZSYWNGDUTXIM-OLZOCXBDSA-N 1 0 231.380 2.140 10 0 BEAERO CCc1cc(CC)nc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389696513 357015307 /nfs/dbraw/zinc/01/53/07/357015307.db2.gz DNCNIKMQYKLKIA-MFKMUULPSA-N 1 0 248.374 2.011 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@](C)(O)C(F)(F)F ZINC000389716466 357018716 /nfs/dbraw/zinc/01/87/16/357018716.db2.gz OBEDAFRXRJZCMO-HLTSFMKQSA-N 1 0 225.254 2.078 10 0 BEAERO [NH3+]CCCc1ccc(F)c(Br)c1 ZINC000035321561 357069787 /nfs/dbraw/zinc/06/97/87/357069787.db2.gz RRHJVWAXUTZZEF-UHFFFAOYSA-N 1 0 232.096 2.480 10 0 BEAERO CC(C)[NH2+]CCN1CCC2(CCCC2)C1 ZINC000193452123 357082160 /nfs/dbraw/zinc/08/21/60/357082160.db2.gz GPQMMPTWOPVLGW-UHFFFAOYSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CCC1)c1cscn1 ZINC000130989632 325105807 /nfs/dbraw/zinc/10/58/07/325105807.db2.gz KZBYQTFUKCTNRT-JTQLQIEISA-N 1 0 240.372 2.346 10 0 BEAERO CC[C@@H]([NH3+])[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300022592 357172918 /nfs/dbraw/zinc/17/29/18/357172918.db2.gz BAGHFJKUKZIHPI-XAVMHZPKSA-N 1 0 205.392 2.349 10 0 BEAERO CC[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300022593 357172954 /nfs/dbraw/zinc/17/29/54/357172954.db2.gz BAGHFJKUKZIHPI-XGEHTFHBSA-N 1 0 205.392 2.349 10 0 BEAERO Cc1cccc(C[NH2+]Cc2ccnc(C)c2)n1 ZINC000391189055 357126454 /nfs/dbraw/zinc/12/64/54/357126454.db2.gz URKDRMHQYUTCGG-UHFFFAOYSA-N 1 0 227.311 2.383 10 0 BEAERO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccn1 ZINC000391385323 357128886 /nfs/dbraw/zinc/12/88/86/357128886.db2.gz YRIPAOZBOOKROJ-HIFRSBDPSA-N 1 0 245.370 2.059 10 0 BEAERO CC(C)([NH3+])C(=O)c1cscc1Br ZINC000168678830 357194189 /nfs/dbraw/zinc/19/41/89/357194189.db2.gz NQHJHVFLLWGTSI-UHFFFAOYSA-N 1 0 248.145 2.431 10 0 BEAERO Cc1csc(N[C@@](C)(C[NH3+])C(C)C)n1 ZINC000168759104 357219282 /nfs/dbraw/zinc/21/92/82/357219282.db2.gz WZWAUWSOWDEKSB-JTQLQIEISA-N 1 0 213.350 2.237 10 0 BEAERO CC(C)=CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123305787 357222927 /nfs/dbraw/zinc/22/29/27/357222927.db2.gz DJBZASGWBJEDBN-CHWSQXEVSA-N 1 0 210.365 2.367 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]CC2(F)CC2)C[C@H](C)O1 ZINC000393620256 357290375 /nfs/dbraw/zinc/29/03/75/357290375.db2.gz PRACVQXGBQEHHQ-JGPRNRPPSA-N 1 0 215.312 2.282 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389557921 538822004 /nfs/dbraw/zinc/82/20/04/538822004.db2.gz SKBYOKAGSLRSTF-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO CCOC(=O)CC1CC[NH+](C2CCC2)CC1 ZINC000218085489 357267949 /nfs/dbraw/zinc/26/79/49/357267949.db2.gz DHWLNBVEXJLRBF-UHFFFAOYSA-N 1 0 225.332 2.204 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000393246451 357279507 /nfs/dbraw/zinc/27/95/07/357279507.db2.gz SJMBLZWSHNHCDT-SGIHWFKDSA-N 1 0 237.265 2.078 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000393246449 357279522 /nfs/dbraw/zinc/27/95/22/357279522.db2.gz SJMBLZWSHNHCDT-AXTSPUMRSA-N 1 0 237.265 2.078 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394736818 357371272 /nfs/dbraw/zinc/37/12/72/357371272.db2.gz JVSYOAHXUYXCPG-HTAVTVPLSA-N 1 0 209.333 2.070 10 0 BEAERO Cc1ncccc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000131412490 325146452 /nfs/dbraw/zinc/14/64/52/325146452.db2.gz NJFYTQBGEXKLSN-JTQLQIEISA-N 1 0 222.357 2.327 10 0 BEAERO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000397269424 357509009 /nfs/dbraw/zinc/50/90/09/357509009.db2.gz NBUXOBPWTVGREW-GVXVVHGQSA-N 1 0 213.365 2.418 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]1(C)C(C)C ZINC000397266835 357509030 /nfs/dbraw/zinc/50/90/30/357509030.db2.gz BQOYUIWYBJKDDW-MGPQQGTHSA-N 1 0 243.391 2.188 10 0 BEAERO CCC(CC)(CC)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188680568 357571443 /nfs/dbraw/zinc/57/14/43/357571443.db2.gz NGMCQDFLVIURSK-WDEREUQCSA-N 1 0 244.354 2.019 10 0 BEAERO F[C@@]1(Cc2nccs2)CCC[NH2+]CC1 ZINC000160724885 357513719 /nfs/dbraw/zinc/51/37/19/357513719.db2.gz GIZYQXPHBYEDCD-JTQLQIEISA-N 1 0 214.309 2.167 10 0 BEAERO C[C@H]([NH3+])CCNc1cccc(C(F)(F)F)n1 ZINC000063171442 357552895 /nfs/dbraw/zinc/55/28/95/357552895.db2.gz ZYLKNTMLUKTQBQ-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC1CC1 ZINC000085697070 357554465 /nfs/dbraw/zinc/55/44/65/357554465.db2.gz XCMAOHZLRWTTCU-GXTWGEPZSA-N 1 0 222.376 2.345 10 0 BEAERO CC[C@@H](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000188705345 357565347 /nfs/dbraw/zinc/56/53/47/357565347.db2.gz GIVIFJVZDPMCTR-OLZOCXBDSA-N 1 0 240.391 2.365 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245777000 538880821 /nfs/dbraw/zinc/88/08/21/538880821.db2.gz ZGTQTAXVUDQSQL-QNWHQSFQSA-N 1 0 240.391 2.408 10 0 BEAERO C[C@@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(N)=[NH2+])C1 ZINC000685947955 538889567 /nfs/dbraw/zinc/88/95/67/538889567.db2.gz UPQNWCLDDUMWNY-PELKAZGASA-N 1 0 241.335 2.006 10 0 BEAERO [NH3+]CC[C@H]1C[C@H]1Cc1ccc(F)c(F)c1 ZINC000685948296 538890589 /nfs/dbraw/zinc/89/05/89/538890589.db2.gz GFPZGMWAXCDIAZ-VHSXEESVSA-N 1 0 211.255 2.492 10 0 BEAERO C[C@H]1C[N@H+](C[C@H](O)C2CCCCC2)CCS1 ZINC000190515574 357714155 /nfs/dbraw/zinc/71/41/55/357714155.db2.gz YMTPEICVMZBCRA-AAEUAGOBSA-N 1 0 243.416 2.365 10 0 BEAERO CCn1cc([C@@H]2C[N@@H+](C3CCCC3)CCO2)cn1 ZINC000190740279 357729732 /nfs/dbraw/zinc/72/97/32/357729732.db2.gz ZWZHSPBGXYFXCS-AWEZNQCLSA-N 1 0 249.358 2.219 10 0 BEAERO c1cc(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)n[nH]1 ZINC000191072930 357746960 /nfs/dbraw/zinc/74/69/60/357746960.db2.gz JTYIDBAHNKRZJF-ZDUSSCGKSA-N 1 0 247.342 2.282 10 0 BEAERO C[C@H](CCC[NH3+])Nc1nccc2occc21 ZINC000235423786 357868976 /nfs/dbraw/zinc/86/89/76/357868976.db2.gz HKSSIVIWHCGRRI-SECBINFHSA-N 1 0 219.288 2.367 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)C1CCOCC1 ZINC000235520670 357874919 /nfs/dbraw/zinc/87/49/19/357874919.db2.gz XIKDXVGSMRFORG-UBHSHLNASA-N 1 0 241.375 2.085 10 0 BEAERO C[C@@H](O)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000192983594 357863518 /nfs/dbraw/zinc/86/35/18/357863518.db2.gz WBLLSCMULGBWFS-SNVBAGLBSA-N 1 0 223.341 2.218 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248998233 535371272 /nfs/dbraw/zinc/37/12/72/535371272.db2.gz GZZUIBMNGGCAAQ-XQQFMLRXSA-N 1 0 209.333 2.500 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000639937988 357940333 /nfs/dbraw/zinc/94/03/33/357940333.db2.gz IPGHMQOYXFHWKG-ZYHUDNBSSA-N 1 0 211.349 2.268 10 0 BEAERO CC(C)(C[NH3+])CNc1ccncc1Cl ZINC000168946384 357999554 /nfs/dbraw/zinc/99/95/54/357999554.db2.gz ZINMYKWZEQZORI-UHFFFAOYSA-N 1 0 213.712 2.132 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1C/C(Cl)=C/Cl ZINC000168969951 358001849 /nfs/dbraw/zinc/00/18/49/358001849.db2.gz SBFKLTUJRSPMFT-HMDQVIMHSA-N 1 0 223.147 2.117 10 0 BEAERO CCc1ccc(CN2CCC([NH2+]C)CC2)s1 ZINC000220109021 358019146 /nfs/dbraw/zinc/01/91/46/358019146.db2.gz CHPCDLWAIPSWSI-UHFFFAOYSA-N 1 0 238.400 2.494 10 0 BEAERO CCC[C@@H](C(=O)NCC1(CC)CC1)[NH+](C)C ZINC000133770567 325317838 /nfs/dbraw/zinc/31/78/38/325317838.db2.gz ALKIFWVMWREQMO-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000037490695 358072565 /nfs/dbraw/zinc/07/25/65/358072565.db2.gz NAGADZDWBBQYQZ-HUUCEWRRSA-N 1 0 249.354 2.131 10 0 BEAERO NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037262070 358060769 /nfs/dbraw/zinc/06/07/69/358060769.db2.gz XGQLYAGSNGMFKB-ZIAGYGMSSA-N 1 0 246.354 2.178 10 0 BEAERO C[NH2+][C@@H](Cc1ccccc1C)[C@H]1CCCO1 ZINC000038135877 358115616 /nfs/dbraw/zinc/11/56/16/358115616.db2.gz XEFOYNPICVGFOR-UONOGXRCSA-N 1 0 219.328 2.305 10 0 BEAERO C[NH2+][C@@H](Cc1ccccc1C)[C@@H]1CCCO1 ZINC000038135875 358115891 /nfs/dbraw/zinc/11/58/91/358115891.db2.gz XEFOYNPICVGFOR-KBPBESRZSA-N 1 0 219.328 2.305 10 0 BEAERO C[NH2+][C@@H](Cc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000038136125 358116647 /nfs/dbraw/zinc/11/66/47/358116647.db2.gz VJTLOERYAWCJKX-KBPBESRZSA-N 1 0 219.328 2.305 10 0 BEAERO C[NH2+][C@H](Cc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000038136126 358116902 /nfs/dbraw/zinc/11/69/02/358116902.db2.gz VJTLOERYAWCJKX-KGLIPLIRSA-N 1 0 219.328 2.305 10 0 BEAERO CCCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171139035 134257166 /nfs/dbraw/zinc/25/71/66/134257166.db2.gz OQKOVRWGOQTCDF-GFCCVEGCSA-N 1 0 237.347 2.433 10 0 BEAERO FC(F)(F)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000171744704 134260682 /nfs/dbraw/zinc/26/06/82/134260682.db2.gz LOTNCDWCTPMALC-JTQLQIEISA-N 1 0 236.281 2.109 10 0 BEAERO O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1Cc3ccccc31)C2 ZINC000640075788 358172962 /nfs/dbraw/zinc/17/29/62/358172962.db2.gz HXTHJZHXECKREC-REBRKWNGSA-N 1 0 243.350 2.172 10 0 BEAERO c1ccc2c(c1)OCCC21CC[NH2+]CC1 ZINC000038812335 358190942 /nfs/dbraw/zinc/19/09/42/358190942.db2.gz TWCBNOVLZABJAN-UHFFFAOYSA-N 1 0 203.285 2.090 10 0 BEAERO Cc1ccc(C)c2c1OC[C@@H](C[NH+](C)C)O2 ZINC000584614975 358279643 /nfs/dbraw/zinc/27/96/43/358279643.db2.gz CMHLFKSYXMHTLB-LLVKDONJSA-N 1 0 221.300 2.005 10 0 BEAERO CO[C@@H]1O[C@H](C2([NH3+])CCCCC2)[C@@H]2C=CC=C[C@@H]21 ZINC000584600669 358257806 /nfs/dbraw/zinc/25/78/06/358257806.db2.gz SVJLGVKANKFEGS-ZOBORPQBSA-N 1 0 249.354 2.378 10 0 BEAERO CC[NH+](CC)CCNN[C@H](C)Cc1ccccc1 ZINC000584601599 358258852 /nfs/dbraw/zinc/25/88/52/358258852.db2.gz BYNHWBJKZGUEPZ-CQSZACIVSA-N 1 0 249.402 2.054 10 0 BEAERO CC[NH2+]CCc1cc(C)c(Br)cn1 ZINC000584629228 358298344 /nfs/dbraw/zinc/29/83/44/358298344.db2.gz BOOPFOAFPGDGLA-UHFFFAOYSA-N 1 0 243.148 2.305 10 0 BEAERO C[N@@H+]1CCC[C@@H]([C@@H](O)c2ccccc2)C1 ZINC000584631653 358314031 /nfs/dbraw/zinc/31/40/31/358314031.db2.gz ICUIFJSALYQOQF-OLZOCXBDSA-N 1 0 205.301 2.062 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@@H]1CC1(F)F ZINC000622016536 370664576 /nfs/dbraw/zinc/66/45/76/370664576.db2.gz JHLNUQPNRCBUAD-BDAKNGLRSA-N 1 0 221.291 2.028 10 0 BEAERO [NH3+]C[C@H](CC1CC1)c1cnc(C(F)F)nc1 ZINC000584647206 358332026 /nfs/dbraw/zinc/33/20/26/358332026.db2.gz LSJQHERIYDKFRN-QMMMGPOBSA-N 1 0 227.258 2.257 10 0 BEAERO CCOc1cc2c(cc1O)C=N[C@@H](C)C2 ZINC000584640208 358326506 /nfs/dbraw/zinc/32/65/06/358326506.db2.gz GVXRGEYVIDBOQF-QMMMGPOBSA-N 1 0 205.257 2.154 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000226742038 358343573 /nfs/dbraw/zinc/34/35/73/358343573.db2.gz ILYFVFDQQZKTSM-SDDRHHMPSA-N 1 0 240.391 2.397 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]CCC1=CCCC1 ZINC000228672829 358382217 /nfs/dbraw/zinc/38/22/17/358382217.db2.gz RPXYAGAVSVKXSG-CQSZACIVSA-N 1 0 241.375 2.254 10 0 BEAERO O[C@]1(c2ccccc2)CC[N@@H+]2CCCC[C@H]21 ZINC000228264626 358372345 /nfs/dbraw/zinc/37/23/45/358372345.db2.gz FNWWHWQXQXMXME-KBPBESRZSA-N 1 0 217.312 2.132 10 0 BEAERO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nccnc2C)C1(C)C ZINC000219177679 134274806 /nfs/dbraw/zinc/27/48/06/134274806.db2.gz PRNCWCBKYODRKM-QJPTWQEYSA-N 1 0 249.358 2.249 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncnc2ccccc21 ZINC000229599048 358404310 /nfs/dbraw/zinc/40/43/10/358404310.db2.gz YOUWDOFVWLJBKW-JQWIXIFHSA-N 1 0 242.326 2.182 10 0 BEAERO CN(CC1CC1)C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596109 358383836 /nfs/dbraw/zinc/38/38/36/358383836.db2.gz CXJFQGRGOVCITA-OAHLLOKOSA-N 1 0 230.355 2.215 10 0 BEAERO Clc1ccc(NCC2CC[NH2+]CC2)nc1 ZINC000044509171 358388895 /nfs/dbraw/zinc/38/88/95/358388895.db2.gz QAFQQVWMSAMLSU-UHFFFAOYSA-N 1 0 225.723 2.147 10 0 BEAERO COc1ccccc1CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000230298236 358397912 /nfs/dbraw/zinc/39/79/12/358397912.db2.gz CMIYUTDJZMXMLA-ZIAGYGMSSA-N 1 0 249.354 2.131 10 0 BEAERO CCCCOCC[NH2+]Cc1cnn(CCC)c1 ZINC000116915371 358451700 /nfs/dbraw/zinc/45/17/00/358451700.db2.gz QMNCINLMCHWQNM-UHFFFAOYSA-N 1 0 239.363 2.199 10 0 BEAERO CCCC[C@@H](CC)CC[NH2+][C@@H](C)CC(N)=O ZINC000128744244 491133147 /nfs/dbraw/zinc/13/31/47/491133147.db2.gz CMGNCYCEACSDQC-NWDGAFQWSA-N 1 0 228.380 2.446 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1nccn1CC ZINC000231673885 358418801 /nfs/dbraw/zinc/41/88/01/358418801.db2.gz JJUVRVZHEGNNGO-GHMZBOCLSA-N 1 0 207.321 2.181 10 0 BEAERO C[C@H]1CCC[N@@H+]1C[C@H]1C[C@H](C)CCC1=O ZINC000053924575 358580281 /nfs/dbraw/zinc/58/02/81/358580281.db2.gz IARYPGOIZOFZCQ-GRYCIOLGSA-N 1 0 209.333 2.476 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C ZINC000042579252 358526759 /nfs/dbraw/zinc/52/67/59/358526759.db2.gz WTWJYJPWGDHOOR-NEPJUHHUSA-N 1 0 221.348 2.479 10 0 BEAERO C[C@@H]1CCC(=O)[C@H](C[NH+]2CCCCC2)C1 ZINC000053925341 358580671 /nfs/dbraw/zinc/58/06/71/358580671.db2.gz JTTIDDPLJQVLFI-NEPJUHHUSA-N 1 0 209.333 2.478 10 0 BEAERO COC1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000130073498 358606691 /nfs/dbraw/zinc/60/66/91/358606691.db2.gz WYVSMIWTLFSQBN-ABXWRUBCSA-N 1 0 241.375 2.085 10 0 BEAERO COCC[C@@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000130447363 358626875 /nfs/dbraw/zinc/62/68/75/358626875.db2.gz KQSKHUQJWQXKAY-MNOVXSKESA-N 1 0 243.372 2.105 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000130873498 358650951 /nfs/dbraw/zinc/65/09/51/358650951.db2.gz GVEROQBXUHZDIB-QWRGUYRKSA-N 1 0 236.363 2.310 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@H]1C[C@H]1C ZINC000321875610 259481017 /nfs/dbraw/zinc/48/10/17/259481017.db2.gz IFNOXDMKDIZDQD-WYUUTHIRSA-N 1 0 244.342 2.424 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000133045431 358744252 /nfs/dbraw/zinc/74/42/52/358744252.db2.gz FLQZQMOMWWMZQC-ZIAGYGMSSA-N 1 0 242.407 2.266 10 0 BEAERO Cc1nc([C@@H](C)[NH2+]CC2(CCO)CC2)cs1 ZINC000133149746 358747164 /nfs/dbraw/zinc/74/71/64/358747164.db2.gz GAKRTPQBCLVGTM-SECBINFHSA-N 1 0 240.372 2.265 10 0 BEAERO COc1cc(C)nc(C[NH2+]CCC(F)(F)F)c1 ZINC000214123467 358759535 /nfs/dbraw/zinc/75/95/35/358759535.db2.gz YGPSWMMNAWEPNX-UHFFFAOYSA-N 1 0 248.248 2.441 10 0 BEAERO COc1ccc(CNc2[nH+]ccn2C)cc1OC ZINC000050605908 358733999 /nfs/dbraw/zinc/73/39/99/358733999.db2.gz LEGJUYKFNNPHJN-UHFFFAOYSA-N 1 0 247.298 2.049 10 0 BEAERO CC(=O)CC[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134232257 358783916 /nfs/dbraw/zinc/78/39/16/358783916.db2.gz AOCHWBIBLZWYAM-SWLSCSKDSA-N 1 0 247.338 2.290 10 0 BEAERO C[C@H](CC[NH3+])Nc1ccc(C(F)(F)F)cn1 ZINC000134274141 358785509 /nfs/dbraw/zinc/78/55/09/358785509.db2.gz UIHRTFUUVTZMNP-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)o1 ZINC000052762001 358792030 /nfs/dbraw/zinc/79/20/30/358792030.db2.gz KANPKEYORWTELS-GFCCVEGCSA-N 1 0 223.316 2.325 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134597499 358797308 /nfs/dbraw/zinc/79/73/08/358797308.db2.gz YFCYUBHVFUSVPT-HBIQZDMRSA-N 1 0 227.348 2.100 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134597561 358797314 /nfs/dbraw/zinc/79/73/14/358797314.db2.gz YFCYUBHVFUSVPT-XKGSQUFQSA-N 1 0 227.348 2.100 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@@H]1C ZINC000134739601 358804025 /nfs/dbraw/zinc/80/40/25/358804025.db2.gz QODVNPOHHQVYKJ-MQYQWHSLSA-N 1 0 224.392 2.495 10 0 BEAERO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000135753707 358848911 /nfs/dbraw/zinc/84/89/11/358848911.db2.gz UWLMNTYMGNRQBZ-SRVKXCTJSA-N 1 0 237.343 2.363 10 0 BEAERO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000135753633 358849171 /nfs/dbraw/zinc/84/91/71/358849171.db2.gz UWLMNTYMGNRQBZ-TUAOUCFPSA-N 1 0 237.343 2.363 10 0 BEAERO C[C@H]1C[C@H](CO)CC[N@@H+]1CC1(C)CCC1 ZINC000640224810 358911495 /nfs/dbraw/zinc/91/14/95/358911495.db2.gz NHVZLTBDKRFCLH-NWDGAFQWSA-N 1 0 211.349 2.269 10 0 BEAERO CC[C@@](O)(C[NH3+])c1cc(C)ccc1Cl ZINC000306152213 358918073 /nfs/dbraw/zinc/91/80/73/358918073.db2.gz ABSKCSQKSZFENX-LLVKDONJSA-N 1 0 213.708 2.205 10 0 BEAERO C[C@H](O)[C@H](C)S[C@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000300336587 358962586 /nfs/dbraw/zinc/96/25/86/358962586.db2.gz ASPSHBHTDNCRIS-XKNYDFJKSA-N 1 0 217.378 2.005 10 0 BEAERO Cc1ccsc1[C@@H]([NH3+])C[C@H]1CCOC1 ZINC000160860587 358970777 /nfs/dbraw/zinc/97/07/77/358970777.db2.gz KHKFTSNGRCEVDH-ZJUUUORDSA-N 1 0 211.330 2.483 10 0 BEAERO C[C@@H]1SCC[C@]12[NH2+][C@H](C)CCS2 ZINC000300353917 358971461 /nfs/dbraw/zinc/97/14/61/358971461.db2.gz ZOCHYJOOHQLBNQ-HRDYMLBCSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1cccc(O)c1 ZINC000396637433 358942515 /nfs/dbraw/zinc/94/25/15/358942515.db2.gz AKIAJWFKZSFLDV-COPLHBTASA-N 1 0 234.343 2.183 10 0 BEAERO CCC[N@@H+]1CC[C@](O)(c2ccsc2)C1 ZINC000306158138 358952954 /nfs/dbraw/zinc/95/29/54/358952954.db2.gz DIEXEKFXWVOYSN-LLVKDONJSA-N 1 0 211.330 2.051 10 0 BEAERO COC1([C@@H]([NH3+])c2cc(C)ns2)CCC1 ZINC000306157963 358953362 /nfs/dbraw/zinc/95/33/62/358953362.db2.gz CVEWIJOQGIBTAY-VIFPVBQESA-N 1 0 212.318 2.020 10 0 BEAERO C[C@@H]1CSC(N[C@H]2CCSC2)=[NH+][C@H]1C ZINC000299968625 358958018 /nfs/dbraw/zinc/95/80/18/358958018.db2.gz OAGCPNKXBCYSLR-VGMNWLOBSA-N 1 0 230.402 2.209 10 0 BEAERO [NH3+][C@]1(c2ccsc2Cl)CCCOC1 ZINC000306177696 358987360 /nfs/dbraw/zinc/98/73/60/358987360.db2.gz CCQWAYNEXWRURH-SECBINFHSA-N 1 0 217.721 2.366 10 0 BEAERO [NH3+][C@@]1(c2ccsc2Cl)CCCOC1 ZINC000306177698 358987866 /nfs/dbraw/zinc/98/78/66/358987866.db2.gz CCQWAYNEXWRURH-VIFPVBQESA-N 1 0 217.721 2.366 10 0 BEAERO Cc1ccc(Cl)c([C@H](O)[C@H](C)C[NH3+])c1 ZINC000306183192 359000101 /nfs/dbraw/zinc/00/01/01/359000101.db2.gz YSHRFHUKGWFDNW-LDYMZIIASA-N 1 0 213.708 2.277 10 0 BEAERO CC[NH+]1CCC(Nc2cnccc2C)CC1 ZINC000070957683 359067809 /nfs/dbraw/zinc/06/78/09/359067809.db2.gz XFNDUNHYVVOQSC-UHFFFAOYSA-N 1 0 219.332 2.286 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1cccc(C(F)(F)F)n1 ZINC000070447933 359056647 /nfs/dbraw/zinc/05/66/47/359056647.db2.gz UXOUGQLPFFYUSF-QMMMGPOBSA-N 1 0 247.264 2.496 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000070528881 359058500 /nfs/dbraw/zinc/05/85/00/359058500.db2.gz JVXUBWCXXSGCJC-WCQYABFASA-N 1 0 233.311 2.136 10 0 BEAERO CCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246977154 359180282 /nfs/dbraw/zinc/18/02/82/359180282.db2.gz NZNLSCTXRXXHJB-OLZOCXBDSA-N 1 0 238.375 2.262 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)C ZINC000247046762 359189888 /nfs/dbraw/zinc/18/98/88/359189888.db2.gz GWHDIYFBKOKJTC-NEPJUHHUSA-N 1 0 238.375 2.118 10 0 BEAERO CC(C)CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247049509 359191836 /nfs/dbraw/zinc/19/18/36/359191836.db2.gz GXAOYHOEWFSNKB-OLZOCXBDSA-N 1 0 238.375 2.118 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCCN1CC=C(Cl)Cl ZINC000403452171 359138349 /nfs/dbraw/zinc/13/83/49/359138349.db2.gz GGNLVJUWFXIUKB-SFYZADRCSA-N 1 0 223.147 2.117 10 0 BEAERO COCCC[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246507792 359138516 /nfs/dbraw/zinc/13/85/16/359138516.db2.gz TUNWCQQCAMBLFJ-MELADBBJSA-N 1 0 242.407 2.120 10 0 BEAERO CCCCC[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000246713238 359159138 /nfs/dbraw/zinc/15/91/38/359159138.db2.gz NHVBXJWQHJASAW-AWEZNQCLSA-N 1 0 242.407 2.219 10 0 BEAERO CCC(CC)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246819412 359167299 /nfs/dbraw/zinc/16/72/99/359167299.db2.gz CKVPKYGIIPPLEB-DGCLKSJQSA-N 1 0 238.375 2.118 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000248042518 359252690 /nfs/dbraw/zinc/25/26/90/359252690.db2.gz UDSRNGOPELWAJJ-VNHYZAJKSA-N 1 0 247.386 2.461 10 0 BEAERO C[C@H]1CC[C@]([NH3+])(c2ncc(Cl)cn2)C1 ZINC000306212409 359307087 /nfs/dbraw/zinc/30/70/87/359307087.db2.gz VQTMFMTXAWTZBI-OIBJUYFYSA-N 1 0 211.696 2.104 10 0 BEAERO CCCNC(=[NH2+])[C@@H]1SCCS[C@@H]1C ZINC000228187233 359359470 /nfs/dbraw/zinc/35/94/70/359359470.db2.gz PVCZUHRIGWVKOU-HTQZYQBOSA-N 1 0 218.391 2.200 10 0 BEAERO CCC[N@@H+]1CCCN(c2cccc(F)n2)CC1 ZINC000078251453 359320148 /nfs/dbraw/zinc/32/01/48/359320148.db2.gz JIQVXKZKJIVWQR-UHFFFAOYSA-N 1 0 237.322 2.143 10 0 BEAERO Cc1cc(C[C@]2([NH3+])CCCOC2)cs1 ZINC000306218673 359337460 /nfs/dbraw/zinc/33/74/60/359337460.db2.gz FXTXUQMMTGMEBG-LLVKDONJSA-N 1 0 211.330 2.107 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@@H]1c1csc(C)c1 ZINC000306221335 359346067 /nfs/dbraw/zinc/34/60/67/359346067.db2.gz JKFHHVGGLYFXIV-QWRGUYRKSA-N 1 0 210.346 2.151 10 0 BEAERO [NH3+]C1(Cc2coc(Br)c2)CC1 ZINC000306234205 359392261 /nfs/dbraw/zinc/39/22/61/359392261.db2.gz MJVREOSNDKFCDZ-UHFFFAOYSA-N 1 0 216.078 2.076 10 0 BEAERO CC(C)CCNc1[nH+]ncc(N)c1Cl ZINC000306248854 359445889 /nfs/dbraw/zinc/44/58/89/359445889.db2.gz QOFHNGPZEQPZIF-UHFFFAOYSA-N 1 0 214.700 2.170 10 0 BEAERO C[NH2+][C@@H](C)Cc1coc(Br)c1 ZINC000306271747 359504037 /nfs/dbraw/zinc/50/40/37/359504037.db2.gz USJSOOQQFDKGEW-LURJTMIESA-N 1 0 218.094 2.193 10 0 BEAERO FC(F)(F)[C@H]1CCC[C@H]1[NH2+]C1CSC1 ZINC000306268541 359490162 /nfs/dbraw/zinc/49/01/62/359490162.db2.gz KARHIILJFOJMIE-JGVFFNPUSA-N 1 0 225.279 2.422 10 0 BEAERO COC(=O)C[C@](C)([NH3+])c1ccccc1Cl ZINC000086851523 359553568 /nfs/dbraw/zinc/55/35/68/359553568.db2.gz QFWZURXLRVFLSG-NSHDSACASA-N 1 0 227.691 2.077 10 0 BEAERO C1CSC2(C[C@H]3CC[C@@H](C2)S3)[NH2+]1 ZINC000403585690 359558070 /nfs/dbraw/zinc/55/80/70/359558070.db2.gz MJRHJIRYGZJDCX-JVHMLUBASA-N 1 0 201.360 2.077 10 0 BEAERO NNc1[nH+]cc(Br)c2ccsc21 ZINC000306303122 359579152 /nfs/dbraw/zinc/57/91/52/359579152.db2.gz OFXINQJZQKAMOF-UHFFFAOYSA-N 1 0 244.117 2.344 10 0 BEAERO C[C@H]1C[C@@](O)(c2ccsc2Cl)C[N@@H+]1C ZINC000306322764 359607130 /nfs/dbraw/zinc/60/71/30/359607130.db2.gz URDFQSJZHFXOLW-XVKPBYJWSA-N 1 0 231.748 2.313 10 0 BEAERO C[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC000306329327 359610286 /nfs/dbraw/zinc/61/02/86/359610286.db2.gz MXEBFOBJDNPJGV-KYZUINATSA-N 1 0 211.334 2.206 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035660 491142971 /nfs/dbraw/zinc/14/29/71/491142971.db2.gz HXXQQPXGOAOECU-CMPLNLGQSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@H]([NH3+])c1cncn1Cc1ccsc1 ZINC000130371495 359672495 /nfs/dbraw/zinc/67/24/95/359672495.db2.gz DDBJKLITSDVBEZ-QMMMGPOBSA-N 1 0 207.302 2.013 10 0 BEAERO C[C@@H]([NH3+])c1cncn1Cc1ccsc1 ZINC000130372777 359673659 /nfs/dbraw/zinc/67/36/59/359673659.db2.gz DDBJKLITSDVBEZ-MRVPVSSYSA-N 1 0 207.302 2.013 10 0 BEAERO CC(C)([NH3+])C(=O)c1cc(F)c(F)cc1F ZINC000306409507 359798397 /nfs/dbraw/zinc/79/83/97/359798397.db2.gz MNWMLWNMWILKGO-UHFFFAOYSA-N 1 0 217.190 2.024 10 0 BEAERO [NH3+]CCNc1c(Cl)cccc1Br ZINC000306394296 359760660 /nfs/dbraw/zinc/76/06/60/359760660.db2.gz GPTNEPUBIYGLPP-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO [NH3+]Cc1cc(Br)cc(N2CCC2)c1 ZINC000306395487 359760692 /nfs/dbraw/zinc/76/06/92/359760692.db2.gz PAKDCTZUJVGOJK-UHFFFAOYSA-N 1 0 241.132 2.118 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ncnc2sccc21 ZINC000087362203 359908516 /nfs/dbraw/zinc/90/85/16/359908516.db2.gz IVTODBFXMOEYIM-QMMMGPOBSA-N 1 0 236.344 2.231 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087616899 359921561 /nfs/dbraw/zinc/92/15/61/359921561.db2.gz DYCKFETVYLPGLX-SMDDNHRTSA-N 1 0 246.354 2.034 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccncc1 ZINC000088077870 359936229 /nfs/dbraw/zinc/93/62/29/359936229.db2.gz ZELGFJWVYZUHOM-DZGCQCFKSA-N 1 0 245.370 2.140 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]([C@@H]2CCCSC2)S1 ZINC000306448744 360015706 /nfs/dbraw/zinc/01/57/06/360015706.db2.gz JORGHSWCVDBLQS-IWSPIJDZSA-N 1 0 203.376 2.181 10 0 BEAERO Cc1cc(Br)c(F)cc1NCC[NH3+] ZINC000306448838 360015867 /nfs/dbraw/zinc/01/58/67/360015867.db2.gz XJNLJZJSLKBMCS-UHFFFAOYSA-N 1 0 247.111 2.267 10 0 BEAERO NC(=[NH2+])c1cnc(Cl)c2sccc21 ZINC000536956737 360007641 /nfs/dbraw/zinc/00/76/41/360007641.db2.gz AAHCYZQDMHDVEW-UHFFFAOYSA-N 1 0 211.677 2.234 10 0 BEAERO C[C@@]1(O)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000306454975 360051194 /nfs/dbraw/zinc/05/11/94/360051194.db2.gz ZVEQSCRTRZHYTD-QWHCGFSZSA-N 1 0 205.301 2.080 10 0 BEAERO C[C@@H]1C[C@@H](C)O[C@](C)(C(F)(F)F)C[NH2+]1 ZINC000306469139 360084217 /nfs/dbraw/zinc/08/42/17/360084217.db2.gz OWCAKYPGMBGYDK-PRJMDXOYSA-N 1 0 211.227 2.094 10 0 BEAERO Cc1ncc(-c2ccccc2C=O)n1C ZINC000306475112 360113701 /nfs/dbraw/zinc/11/37/01/360113701.db2.gz WNYDXKDAGIIVLM-UHFFFAOYSA-N 1 0 200.241 2.208 10 0 BEAERO CC(C)C[C@H]1CC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000306478355 360126202 /nfs/dbraw/zinc/12/62/02/360126202.db2.gz CWSYROWYSFQCAM-NEPJUHHUSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1cc(Br)cc(C)c1NCC[NH3+] ZINC000306483732 360152277 /nfs/dbraw/zinc/15/22/77/360152277.db2.gz OXAZEEDPPJLXBR-UHFFFAOYSA-N 1 0 243.148 2.437 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)on1 ZINC000092696098 360191582 /nfs/dbraw/zinc/19/15/82/360191582.db2.gz MRKGEGPHTJPLJL-ZIAGYGMSSA-N 1 0 249.358 2.042 10 0 BEAERO COc1c(C[N@@H+]2CCC3(CCC3)C2)c(C)nn1C ZINC000093455926 360244935 /nfs/dbraw/zinc/24/49/35/360244935.db2.gz VAVFSKLHESAQSP-UHFFFAOYSA-N 1 0 249.358 2.113 10 0 BEAERO [NH3+]CCNc1ccc(Cl)cc1Br ZINC000306519718 360344607 /nfs/dbraw/zinc/34/46/07/360344607.db2.gz CPPDLCGZDWFKCQ-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO C[C@@H]1C[NH+](Cc2ccnc(Cl)n2)C[C@H]1C ZINC000306518788 360345606 /nfs/dbraw/zinc/34/56/06/360345606.db2.gz HNARMNRUJFLIMS-RKDXNWHRSA-N 1 0 225.723 2.218 10 0 BEAERO CN(CCC1CC1)C(=[NH2+])NCc1ccccc1 ZINC000306508635 360325057 /nfs/dbraw/zinc/32/50/57/360325057.db2.gz AMPUNSYPEMJAFY-UHFFFAOYSA-N 1 0 231.343 2.443 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309440420 491148372 /nfs/dbraw/zinc/14/83/72/491148372.db2.gz IIDFVMYKBQJBBO-MJBXVCDLSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@H]1CCN(C(=[NH2+])NCc2ccccc2)[C@H]1C ZINC000306565143 360443711 /nfs/dbraw/zinc/44/37/11/360443711.db2.gz XJMSFMLDDWNNIR-RYUDHWBXSA-N 1 0 231.343 2.441 10 0 BEAERO Cc1[nH+]c(NCCC(F)F)ccc1N ZINC000306565251 360444981 /nfs/dbraw/zinc/44/49/81/360444981.db2.gz QZZRMZSIVHXENQ-UHFFFAOYSA-N 1 0 201.220 2.039 10 0 BEAERO C[C@H]1C[C@H]1c1nc(C(F)F)c(C[NH3+])o1 ZINC000306566045 360445296 /nfs/dbraw/zinc/44/52/96/360445296.db2.gz FUWIALVXIWKNGV-CRCLSJGQSA-N 1 0 202.204 2.194 10 0 BEAERO CC[N@H+]1C[C@H](NCc2ccc(Cl)o2)[C@@H](C)C1 ZINC000309426254 491149077 /nfs/dbraw/zinc/14/90/77/491149077.db2.gz FHRHNPWWNVNHDG-ONGXEEELSA-N 1 0 242.750 2.363 10 0 BEAERO CC[C@@H]1CCO[C@](C)(C(F)(F)F)C[NH2+]1 ZINC000306545220 360414704 /nfs/dbraw/zinc/41/47/04/360414704.db2.gz APQUCEDJHMIODC-SFYZADRCSA-N 1 0 211.227 2.096 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Br)nc1 ZINC000306551423 360424765 /nfs/dbraw/zinc/42/47/65/360424765.db2.gz AJIOOVNHBRHWHD-CBAPKCEASA-N 1 0 241.132 2.342 10 0 BEAERO C[C@@](F)(Cc1nccs1)[C@H]1CC[NH2+]C1 ZINC000306556008 360430027 /nfs/dbraw/zinc/43/00/27/360430027.db2.gz FRNKPZIJXAYOJE-WCBMZHEXSA-N 1 0 214.309 2.023 10 0 BEAERO C[C@](F)(Cc1nccs1)[C@H]1CC[NH2+]C1 ZINC000306556011 360430225 /nfs/dbraw/zinc/43/02/25/360430225.db2.gz FRNKPZIJXAYOJE-WPRPVWTQSA-N 1 0 214.309 2.023 10 0 BEAERO C[C@@H]1CC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306558353 360431999 /nfs/dbraw/zinc/43/19/99/360431999.db2.gz OQCVKDFLHBUWIR-PWSUYJOCSA-N 1 0 217.316 2.099 10 0 BEAERO Cc1nc(-c2ccc(Cl)o2)oc1C[NH3+] ZINC000306581447 360478469 /nfs/dbraw/zinc/47/84/69/360478469.db2.gz OPNKDYGHWCJSLG-UHFFFAOYSA-N 1 0 212.636 2.355 10 0 BEAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CSC1(C)C ZINC000306581688 360479713 /nfs/dbraw/zinc/47/97/13/360479713.db2.gz ZYRBEXCTHKQSGW-YIZRAAEISA-N 1 0 217.403 2.364 10 0 BEAERO C[C@@](F)([C@@H]1CCC[NH2+]1)C(F)(F)Br ZINC000306581830 360479778 /nfs/dbraw/zinc/47/97/78/360479778.db2.gz QAUALVBSSUOKIV-NTSWFWBYSA-N 1 0 246.070 2.454 10 0 BEAERO C[C@H]1C[NH2+]CC[C@H]1C(=O)CC1=CCCC1 ZINC000306581987 360479799 /nfs/dbraw/zinc/47/97/99/360479799.db2.gz OZOHMYSASYLZCX-CMPLNLGQSA-N 1 0 207.317 2.302 10 0 BEAERO C[C@](F)([C@@H]1CCC[NH2+]1)C(F)(F)Br ZINC000306581834 360480123 /nfs/dbraw/zinc/48/01/23/360480123.db2.gz QAUALVBSSUOKIV-WDSKDSINSA-N 1 0 246.070 2.454 10 0 BEAERO CCn1cc[nH+]c1N[C@@H]1CSC[C@H]1C ZINC000306582248 360481210 /nfs/dbraw/zinc/48/12/10/360481210.db2.gz PAQOJZBHWIGBSW-RKDXNWHRSA-N 1 0 211.334 2.066 10 0 BEAERO CN1CC[C@H]([NH3+])[C@@H]1c1ccsc1Cl ZINC000306588414 360492432 /nfs/dbraw/zinc/49/24/32/360492432.db2.gz NJWKRBXXIFAUDZ-YUMQZZPRSA-N 1 0 216.737 2.105 10 0 BEAERO CC1(C)[C@@H](c2ccc(Br)o2)[C@@H]1[NH3+] ZINC000300752524 360455051 /nfs/dbraw/zinc/45/50/51/360455051.db2.gz HWTHNTORMDIGNT-YUMQZZPRSA-N 1 0 230.105 2.493 10 0 BEAERO CC[C@@H](NC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000306571855 360460336 /nfs/dbraw/zinc/46/03/36/360460336.db2.gz HFXZUCJRJOSBPI-SECBINFHSA-N 1 0 211.696 2.274 10 0 BEAERO [NH3+][C@@H](C[C@H]1CCCCO1)c1ccns1 ZINC000306592125 360510119 /nfs/dbraw/zinc/51/01/19/360510119.db2.gz WBXCFXLXNIPESB-BDAKNGLRSA-N 1 0 212.318 2.102 10 0 BEAERO CC[C@H]1C[N@H+](CC2=CCCC2)CCC1=O ZINC000306594040 360513101 /nfs/dbraw/zinc/51/31/01/360513101.db2.gz XHBRPFSQBCPMCP-LBPRGKRZSA-N 1 0 207.317 2.398 10 0 BEAERO C[C@H](NC(N)=[NH2+])c1ccc(Br)s1 ZINC000306595750 360517762 /nfs/dbraw/zinc/51/77/62/360517762.db2.gz YDAOICWJOSHHRE-BYPYZUCNSA-N 1 0 248.149 2.055 10 0 BEAERO C[C@@H]1CSC[C@@H]1[NH2+]Cc1sccc1N ZINC000306596801 360518967 /nfs/dbraw/zinc/51/89/67/360518967.db2.gz ZAUVSLSXIULUFP-APPZFPTMSA-N 1 0 228.386 2.171 10 0 BEAERO CC(=O)Nc1ccccc1[C@@H]1CCC[NH2+]1 ZINC000238095205 360555938 /nfs/dbraw/zinc/55/59/38/360555938.db2.gz IJBOUPFGCJWOAB-NSHDSACASA-N 1 0 204.273 2.070 10 0 BEAERO C[C@H](C[N@@H+]1CCCC(C)(C)C1)C(N)=S ZINC000069793327 360556717 /nfs/dbraw/zinc/55/67/17/360556717.db2.gz AWJNQDQSPLPYLM-SECBINFHSA-N 1 0 214.378 2.031 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CS1 ZINC000309608634 491152282 /nfs/dbraw/zinc/15/22/82/491152282.db2.gz LZWMGHSKVKNDSL-CYDGBPFRSA-N 1 0 243.416 2.410 10 0 BEAERO OC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCCC1 ZINC000309602595 491152215 /nfs/dbraw/zinc/15/22/15/491152215.db2.gz XAIYLOJJPJQPJU-VXGBXAGGSA-N 1 0 229.339 2.409 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C)c(F)c1 ZINC000631104918 360948543 /nfs/dbraw/zinc/94/85/43/360948543.db2.gz QBCIVOKJXDDPOR-GWCFXTLKSA-N 1 0 223.291 2.401 10 0 BEAERO [NH3+][C@@H]1CCC[S@](=O)c2c(Cl)cccc21 ZINC000040973852 360983326 /nfs/dbraw/zinc/98/33/26/360983326.db2.gz BASJHFHBNVWQNC-YMTOWFKASA-N 1 0 229.732 2.241 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000309666634 491154128 /nfs/dbraw/zinc/15/41/28/491154128.db2.gz ICQWCLWYXYEVAE-OLZOCXBDSA-N 1 0 221.348 2.216 10 0 BEAERO C[C@H]([NH2+][C@H]1CCSC1)c1ccn(C)c1 ZINC000306613535 361085807 /nfs/dbraw/zinc/08/58/07/361085807.db2.gz KQDUDRLQLKYZMP-ONGXEEELSA-N 1 0 210.346 2.181 10 0 BEAERO Cc1cnc(C2([NH3+])CC2)c(Br)c1 ZINC000238556689 361149999 /nfs/dbraw/zinc/14/99/99/361149999.db2.gz MGALJEIVPZBVHA-UHFFFAOYSA-N 1 0 227.105 2.100 10 0 BEAERO [NH3+][C@@H](CF)c1cc(O)ccc1Br ZINC000238573345 361155692 /nfs/dbraw/zinc/15/56/92/361155692.db2.gz GDRUDTGQQFSTEH-QMMMGPOBSA-N 1 0 234.068 2.124 10 0 BEAERO Cc1cc(NCCOCC(C)C)cc[nH+]1 ZINC000158924120 361215197 /nfs/dbraw/zinc/21/51/97/361215197.db2.gz DRRJFEPIYAHNMO-UHFFFAOYSA-N 1 0 208.305 2.475 10 0 BEAERO [NH3+]C1(C(=O)NCC2CCCCC2)CCCCC1 ZINC000037259830 181326172 /nfs/dbraw/zinc/32/61/72/181326172.db2.gz FGRKQYVXKZGNDI-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO [NH3+]C1(c2nc3c(s2)CCC3)CCCC1 ZINC000041059600 361221617 /nfs/dbraw/zinc/22/16/17/361221617.db2.gz RLQBBPRXJGREHU-UHFFFAOYSA-N 1 0 208.330 2.360 10 0 BEAERO Cc1ccc(Cl)c([C@H](N)CC[NH3+])c1F ZINC000306628979 361296795 /nfs/dbraw/zinc/29/67/95/361296795.db2.gz DEWMZBFXIZMDNQ-MRVPVSSYSA-N 1 0 216.687 2.136 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000579007305 366693999 /nfs/dbraw/zinc/69/39/99/366693999.db2.gz ZESHMTXQZRBTGT-QWRGUYRKSA-N 1 0 207.321 2.305 10 0 BEAERO [NH3+]C1(C(=O)c2ccccc2F)CCCC1 ZINC000071510261 181330664 /nfs/dbraw/zinc/33/06/64/181330664.db2.gz XPJRDUJFVPRWLJ-UHFFFAOYSA-N 1 0 207.248 2.280 10 0 BEAERO [NH3+]C1(C(=O)OCc2cccs2)CCCCC1 ZINC000049584665 181330699 /nfs/dbraw/zinc/33/06/99/181330699.db2.gz ZCNFDMCVBOZQFC-UHFFFAOYSA-N 1 0 239.340 2.453 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCF)[nH]n1 ZINC000309846672 491157033 /nfs/dbraw/zinc/15/70/33/491157033.db2.gz GVJVWNCTOPDELO-ZYHUDNBSSA-N 1 0 225.311 2.336 10 0 BEAERO [NH3+]C1(CO)CCC(c2ccccc2)CC1 ZINC000038124431 181332698 /nfs/dbraw/zinc/33/26/98/181332698.db2.gz WJNUQHXUCXOFBZ-UHFFFAOYSA-N 1 0 205.301 2.034 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000309913216 491158138 /nfs/dbraw/zinc/15/81/38/491158138.db2.gz NXXIDJDSAFVEEF-SCZZXKLOSA-N 1 0 238.356 2.288 10 0 BEAERO [NH3+]C12CC3C4CC5CC3C(C1)C(C5)C4C2 ZINC000059245899 181336829 /nfs/dbraw/zinc/33/68/29/181336829.db2.gz IRZSXXANDDTGDD-UHFFFAOYSA-N 1 0 203.329 2.406 10 0 BEAERO CCC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)OCC ZINC000629600799 361492490 /nfs/dbraw/zinc/49/24/90/361492490.db2.gz QXVLNRPQKSSDFC-VXGBXAGGSA-N 1 0 231.380 2.188 10 0 BEAERO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2CO)cs1 ZINC000152323143 201196404 /nfs/dbraw/zinc/19/64/04/201196404.db2.gz ZIXNKIKPAWVXBH-JQWIXIFHSA-N 1 0 240.372 2.092 10 0 BEAERO [NH2+]=C1N[C@H](c2nccs2)Cc2ccccc21 ZINC000013911325 181339483 /nfs/dbraw/zinc/33/94/83/181339483.db2.gz RDKMXFCWQURSLL-JTQLQIEISA-N 1 0 229.308 2.146 10 0 BEAERO COC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000036891732 361578762 /nfs/dbraw/zinc/57/87/62/361578762.db2.gz YIWPFTXECYTINZ-MRVPVSSYSA-N 1 0 243.253 2.179 10 0 BEAERO Cc1nc(C)c([C@H]2[NH2+]C[C@@H](C)S2)s1 ZINC000306637892 361585275 /nfs/dbraw/zinc/58/52/75/361585275.db2.gz MQRGHSJUQWQQRV-ANLVUFKYSA-N 1 0 214.359 2.483 10 0 BEAERO Cc1sc(C(F)(F)F)nc1[C@H](C)[NH3+] ZINC000306638474 361586130 /nfs/dbraw/zinc/58/61/30/361586130.db2.gz CEDHBRSFHRQLSC-VKHMYHEASA-N 1 0 210.224 2.490 10 0 BEAERO C[C@H](C[NH3+])Sc1ccc(Br)cn1 ZINC000070615300 361626415 /nfs/dbraw/zinc/62/64/15/361626415.db2.gz WEPOIXYXXBGFHZ-ZCFIWIBFSA-N 1 0 247.161 2.283 10 0 BEAERO C[C@H](Sc1ccc(Cl)cn1)C(N)=[NH2+] ZINC000070615007 361629249 /nfs/dbraw/zinc/62/92/49/361629249.db2.gz BQUVTBBZYOVUFC-YFKPBYRVSA-N 1 0 215.709 2.152 10 0 BEAERO [NH3+]C1CC(Nc2ccc(C(F)(F)F)cn2)C1 ZINC000036268739 181340349 /nfs/dbraw/zinc/34/03/49/181340349.db2.gz RIWDUCNTMHXFRF-UHFFFAOYSA-N 1 0 231.221 2.002 10 0 BEAERO [NH3+]C1CCC(CCC(=O)NC2CCCC2)CC1 ZINC000055091318 181341150 /nfs/dbraw/zinc/34/11/50/181341150.db2.gz GIRIZLICBAYENF-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO [NH3+]C1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC000037562308 181342284 /nfs/dbraw/zinc/34/22/84/181342284.db2.gz YXUIDTFTVFYPCR-UHFFFAOYSA-N 1 0 244.298 2.117 10 0 BEAERO [NH3+]C1CCC([S@@](=O)c2ccccc2F)CC1 ZINC000055144802 181342335 /nfs/dbraw/zinc/34/23/35/181342335.db2.gz PZLKCTLXGYMDPU-HWYSMQLTSA-N 1 0 241.331 2.203 10 0 BEAERO [NH3+]C1CCC(Nc2nncc3ccccc32)CC1 ZINC000051693963 181342348 /nfs/dbraw/zinc/34/23/48/181342348.db2.gz SCIXEENJJZTZEV-UHFFFAOYSA-N 1 0 242.326 2.312 10 0 BEAERO [NH3+]C1CCC([S@](=O)c2ccc(F)cc2)CC1 ZINC000055144778 181342364 /nfs/dbraw/zinc/34/23/64/181342364.db2.gz XCIZXMXJCCWWDH-MLHMAEKDSA-N 1 0 241.331 2.203 10 0 BEAERO C[C@@H](C[NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000038006016 361661129 /nfs/dbraw/zinc/66/11/29/361661129.db2.gz IRLJNOWNHRZETJ-NSHDSACASA-N 1 0 215.300 2.303 10 0 BEAERO Cc1ccc(C[NH2+]Cc2cn[nH]c2)s1 ZINC000038006019 361661677 /nfs/dbraw/zinc/66/16/77/361661677.db2.gz OSTAQDXLEXILMM-UHFFFAOYSA-N 1 0 207.302 2.069 10 0 BEAERO CSc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038006055 361661780 /nfs/dbraw/zinc/66/17/80/361661780.db2.gz KBSDIZMGLSMZDP-UHFFFAOYSA-N 1 0 233.340 2.421 10 0 BEAERO Cc1cc([C@@H]2OCC[C@H]2C[NH3+])c(C)s1 ZINC000070627216 361680243 /nfs/dbraw/zinc/68/02/43/361680243.db2.gz PVXDWXSBBYRLKU-GXSJLCMTSA-N 1 0 211.330 2.401 10 0 BEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000070627279 361680792 /nfs/dbraw/zinc/68/07/92/361680792.db2.gz IDMDGRJUQKBFCT-GXSJLCMTSA-N 1 0 211.692 2.376 10 0 BEAERO [NH3+]C1CCN(c2cc(F)c(F)cc2F)CC1 ZINC000061094224 181345183 /nfs/dbraw/zinc/34/51/83/181345183.db2.gz YWHVJFURKLMRHJ-UHFFFAOYSA-N 1 0 230.233 2.031 10 0 BEAERO C[C@@H]1CCC[N@H+](Cc2ccc(C=O)o2)C1 ZINC000161262809 363866104 /nfs/dbraw/zinc/86/61/04/363866104.db2.gz HCZZXPYAZYNLEY-SNVBAGLBSA-N 1 0 207.273 2.324 10 0 BEAERO C[C@H]([C@@H]1[NH2+]CCc2nc[nH]c21)C(C)(C)C ZINC000400372168 541308605 /nfs/dbraw/zinc/30/86/05/541308605.db2.gz BFCJCHLLSPZVLX-SCZZXKLOSA-N 1 0 207.321 2.279 10 0 BEAERO CO[C@@H]1C[N@H+](CCCC(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000630363198 364081873 /nfs/dbraw/zinc/08/18/73/364081873.db2.gz CHUBXTDQCCWCRN-GXTWGEPZSA-N 1 0 242.407 2.251 10 0 BEAERO CC(C)c1noc(C2CCC([NH3+])CC2)n1 ZINC000037472105 364055906 /nfs/dbraw/zinc/05/59/06/364055906.db2.gz SQAMXEWMBXQYKK-UHFFFAOYSA-N 1 0 209.293 2.178 10 0 BEAERO C[C@H](CO)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273536 541340421 /nfs/dbraw/zinc/34/04/21/541340421.db2.gz JSYSNIAGNLYPHC-LKSINWNRSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@H](C)C[NH2+]CCN1C[C@H]2CCC[C@@H]2C1 ZINC000725271570 541339861 /nfs/dbraw/zinc/33/98/61/541339861.db2.gz HTNBNWPJAAOCNT-BFHYXJOUSA-N 1 0 224.392 2.354 10 0 BEAERO Cc1nc(N[C@H]2CC[C@@H](C)[NH2+]C2)sc1C ZINC000630533002 364223124 /nfs/dbraw/zinc/22/31/24/364223124.db2.gz MNHRRRPGQAUXAD-XCBNKYQSSA-N 1 0 225.361 2.312 10 0 BEAERO C[C@H]1CC[C@@H](N=c2[nH]c3ccccc3s2)C[NH2+]1 ZINC000630532053 364219866 /nfs/dbraw/zinc/21/98/66/364219866.db2.gz FIXYRHREXIVSJA-VHSXEESVSA-N 1 0 247.367 2.271 10 0 BEAERO CC(C)c1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)ncn1 ZINC000630532776 364221298 /nfs/dbraw/zinc/22/12/98/364221298.db2.gz KSYCONKBNXJKQC-GHMZBOCLSA-N 1 0 234.347 2.152 10 0 BEAERO CC(C)c1cc(N[C@H]2CC[C@H](C)[NH2+]C2)ncn1 ZINC000630532778 364221684 /nfs/dbraw/zinc/22/16/84/364221684.db2.gz KSYCONKBNXJKQC-QWRGUYRKSA-N 1 0 234.347 2.152 10 0 BEAERO Cc1ccnc(N2CCCCC[C@H]([NH3+])C2)c1 ZINC000630548754 364246512 /nfs/dbraw/zinc/24/65/12/364246512.db2.gz FGNNQHQVUIEFEI-LBPRGKRZSA-N 1 0 219.332 2.098 10 0 BEAERO Cc1cccc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630556368 364251613 /nfs/dbraw/zinc/25/16/13/364251613.db2.gz FEYMVCRRIQFRTJ-HAQNSBGRSA-N 1 0 219.332 2.319 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncccc2F)CC1 ZINC000630557642 364255615 /nfs/dbraw/zinc/25/56/15/364255615.db2.gz QQSLBAZSBLLUEU-MGCOHNPYSA-N 1 0 223.295 2.150 10 0 BEAERO C[C@H]1CC[C@H](Nc2ncccc2Cl)C[NH2+]1 ZINC000630533800 364226207 /nfs/dbraw/zinc/22/62/07/364226207.db2.gz FRNKEWJRYAENQL-IUCAKERBSA-N 1 0 225.723 2.287 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ncnc3ccccc32)C[NH2+]1 ZINC000630533497 364226368 /nfs/dbraw/zinc/22/63/68/364226368.db2.gz CQOWQVAYOOTHIM-GHMZBOCLSA-N 1 0 242.326 2.182 10 0 BEAERO [NH3+]CC1(c2ccc(Cl)cc2)CCC(O)CC1 ZINC000020443373 181363042 /nfs/dbraw/zinc/36/30/42/181363042.db2.gz UEMFYLWCDJOUGY-UHFFFAOYSA-N 1 0 239.746 2.471 10 0 BEAERO C[C@H](CCCO)[NH2+]C[C@]1(C)CCCS1 ZINC000134581241 541357672 /nfs/dbraw/zinc/35/76/72/541357672.db2.gz YRZHAVGYAKVFCP-MNOVXSKESA-N 1 0 217.378 2.023 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000134806652 364414078 /nfs/dbraw/zinc/41/40/78/364414078.db2.gz ILTYQPYPBNKSQL-TUAOUCFPSA-N 1 0 229.389 2.023 10 0 BEAERO CCCC(CCC)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000135735607 541365964 /nfs/dbraw/zinc/36/59/64/541365964.db2.gz SUMSSOUHYTWGTR-CQSZACIVSA-N 1 0 242.407 2.266 10 0 BEAERO C[NH+](C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000170863396 364545084 /nfs/dbraw/zinc/54/50/84/364545084.db2.gz RQBYJMRBYCRGRK-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1cccc(CNC(=O)C2CCC([NH3+])CC2)c1 ZINC000037719244 364547897 /nfs/dbraw/zinc/54/78/97/364547897.db2.gz CJJZBDIZEBNBJW-UHFFFAOYSA-N 1 0 246.354 2.129 10 0 BEAERO CC[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247887120 364624957 /nfs/dbraw/zinc/62/49/57/364624957.db2.gz DISMFCPZFZEBAW-RWMBFGLXSA-N 1 0 211.349 2.412 10 0 BEAERO CCCCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246764996 364609865 /nfs/dbraw/zinc/60/98/65/364609865.db2.gz UINDLKHKOGOFOF-OLZOCXBDSA-N 1 0 210.365 2.345 10 0 BEAERO [NH3+]CCC(=O)Nc1cccc(-c2nccs2)c1 ZINC000037767640 181368560 /nfs/dbraw/zinc/36/85/60/181368560.db2.gz FUMDWXAQHJMGRS-UHFFFAOYSA-N 1 0 247.323 2.097 10 0 BEAERO [NH3+]CCC1(c2ccccc2)CCOCC1 ZINC000041213791 181370193 /nfs/dbraw/zinc/37/01/93/181370193.db2.gz TZPXLDODXQWSPZ-UHFFFAOYSA-N 1 0 205.301 2.084 10 0 BEAERO [NH3+]CCC(=O)c1ccc(Br)s1 ZINC000036163091 181370292 /nfs/dbraw/zinc/37/02/92/181370292.db2.gz AMFYJSBBMHAIQS-UHFFFAOYSA-N 1 0 234.118 2.042 10 0 BEAERO C[NH2+][C@@H]1CC[C@@H](Cc2nccs2)[C@H]1C ZINC000252659697 364731242 /nfs/dbraw/zinc/73/12/42/364731242.db2.gz HKKNCUHKRYHPML-KXUCPTDWSA-N 1 0 210.346 2.320 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000328145140 364811942 /nfs/dbraw/zinc/81/19/42/364811942.db2.gz AGKNNKXHZRLTCV-YPMHNXCESA-N 1 0 238.400 2.363 10 0 BEAERO [NH3+]CCCC(=O)Nc1ccc(-c2cnco2)cc1 ZINC000037766431 181372629 /nfs/dbraw/zinc/37/26/29/181372629.db2.gz GNGUXNJIPAOJER-UHFFFAOYSA-N 1 0 245.282 2.019 10 0 BEAERO [NH3+]CCCCCC(=O)Nc1cc(F)ccc1F ZINC000019481203 181373971 /nfs/dbraw/zinc/37/39/71/181373971.db2.gz WEWYDESBSKPUTD-UHFFFAOYSA-N 1 0 242.269 2.422 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224796169 541411140 /nfs/dbraw/zinc/41/11/40/541411140.db2.gz HMUWCRUHWGMCJX-RBSFLKMASA-N 1 0 231.339 2.389 10 0 BEAERO [NH3+]CCCOCc1c(F)cccc1Cl ZINC000028522083 181384550 /nfs/dbraw/zinc/38/45/50/181384550.db2.gz BRINKXRSBRZKJC-UHFFFAOYSA-N 1 0 217.671 2.345 10 0 BEAERO [NH3+]CCCOCc1ccc(OC(F)(F)F)cc1 ZINC000051864781 181384704 /nfs/dbraw/zinc/38/47/04/181384704.db2.gz CJZPHYRSPAKTPU-UHFFFAOYSA-N 1 0 249.232 2.451 10 0 BEAERO [NH3+]CCCOc1ccc(F)cc1Br ZINC000019428025 181385086 /nfs/dbraw/zinc/38/50/86/181385086.db2.gz WXKJWZJHERYHRJ-UHFFFAOYSA-N 1 0 248.095 2.316 10 0 BEAERO [NH3+]CCC[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000084536730 181386053 /nfs/dbraw/zinc/38/60/53/181386053.db2.gz MRGMYRRILMAPQP-ZDUSSCGKSA-N 1 0 238.375 2.297 10 0 BEAERO [NH3+]CCCc1nc(-c2ccc[nH]2)cs1 ZINC000011887297 181386820 /nfs/dbraw/zinc/38/68/20/181386820.db2.gz SDBQXXCFLJFYDY-UHFFFAOYSA-N 1 0 207.302 2.030 10 0 BEAERO [NH3+]CCCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000061844156 181387766 /nfs/dbraw/zinc/38/77/66/181387766.db2.gz ZDSGHPWDWHOLSV-UHFFFAOYSA-N 1 0 236.706 2.016 10 0 BEAERO [NH3+]CCCc1nnc(SCc2ccccc2)o1 ZINC000008039351 181388031 /nfs/dbraw/zinc/38/80/31/181388031.db2.gz YPNHKJNVQWBTAE-UHFFFAOYSA-N 1 0 249.339 2.253 10 0 BEAERO [NH3+]CCCc1nnc(-c2ccccc2)s1 ZINC000082537339 181388220 /nfs/dbraw/zinc/38/82/20/181388220.db2.gz FAZZULJXAUWXHT-UHFFFAOYSA-N 1 0 219.313 2.096 10 0 BEAERO [NH3+]CCCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000011585929 181388229 /nfs/dbraw/zinc/38/82/29/181388229.db2.gz PXEMERBQPUZSHB-UHFFFAOYSA-N 1 0 237.690 2.281 10 0 BEAERO [NH3+]CCCc1noc(-c2ccc(Cl)cc2)n1 ZINC000019682261 181388697 /nfs/dbraw/zinc/38/86/97/181388697.db2.gz BBUCXBXTIUQFBH-UHFFFAOYSA-N 1 0 237.690 2.281 10 0 BEAERO [NH3+]CCN(c1cccc(C(F)(F)F)n1)C1CC1 ZINC000104306861 181390401 /nfs/dbraw/zinc/39/04/01/181390401.db2.gz XKDHXZPUATXDGW-UHFFFAOYSA-N 1 0 245.248 2.028 10 0 BEAERO [NH3+]CCN(C[C@H]1CCCO1)CC1CCCCC1 ZINC000076622623 181390799 /nfs/dbraw/zinc/39/07/99/181390799.db2.gz STNCYDWNJZFAAM-CQSZACIVSA-N 1 0 240.391 2.006 10 0 BEAERO [NH3+]CCCN(c1nc2ccccc2o1)C1CC1 ZINC000038074627 181380238 /nfs/dbraw/zinc/38/02/38/181380238.db2.gz BJCLHZFIJYWUFI-UHFFFAOYSA-N 1 0 231.299 2.145 10 0 BEAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)c(C)n1 ZINC000094666072 541451631 /nfs/dbraw/zinc/45/16/31/541451631.db2.gz XMWBYGFGNRQYED-UHFFFAOYSA-N 1 0 247.342 2.154 10 0 BEAERO [NH3+]CCOCCc1ccc2c(c1)CCCC2 ZINC000057939629 181399554 /nfs/dbraw/zinc/39/95/54/181399554.db2.gz WCURVAWVTKNCIH-UHFFFAOYSA-N 1 0 219.328 2.083 10 0 BEAERO [NH3+]CCc1c(Cl)ccc2cnccc21 ZINC000082777609 181411402 /nfs/dbraw/zinc/41/14/02/181411402.db2.gz QNSZYRQHIUKVRS-UHFFFAOYSA-N 1 0 206.676 2.389 10 0 BEAERO [NH3+]CC[C@H](O)c1cc2ccc(F)cc2s1 ZINC000083047836 181407715 /nfs/dbraw/zinc/40/77/15/181407715.db2.gz DURLTVPEGZCZKG-VIFPVBQESA-N 1 0 225.288 2.423 10 0 BEAERO [NH3+]CCc1ccc(C(F)(F)F)c(Cl)n1 ZINC000095768414 181411980 /nfs/dbraw/zinc/41/19/80/181411980.db2.gz YNSXTABMQCPWIQ-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]CCc1ccc(NC(=O)c2ccccc2)cc1 ZINC000020224399 181412145 /nfs/dbraw/zinc/41/21/45/181412145.db2.gz LHNZVPOIKKLSEY-UHFFFAOYSA-N 1 0 240.306 2.440 10 0 BEAERO [NH3+]CCc1csc([C@H]2CC=CCC2)n1 ZINC000083345579 181413331 /nfs/dbraw/zinc/41/33/31/181413331.db2.gz KRDHBYRAIYGWQF-VIFPVBQESA-N 1 0 208.330 2.468 10 0 BEAERO [NH3+]CCn1cnc(-c2ccc(Cl)s2)c1 ZINC000071533472 181415870 /nfs/dbraw/zinc/41/58/70/181415870.db2.gz ZUCFHNLDTZFZLY-UHFFFAOYSA-N 1 0 227.720 2.224 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(C)=O)cc1 ZINC000011960047 370803751 /nfs/dbraw/zinc/80/37/51/370803751.db2.gz GPPCICGSVGYVCX-RNCFNFMXSA-N 1 0 248.326 2.201 10 0 BEAERO [NH3+]C[C@@H](Nc1cccc(F)c1)c1cccnc1 ZINC000057519324 181421491 /nfs/dbraw/zinc/42/14/91/181421491.db2.gz DQLCZCGGVBCBAV-CYBMUJFWSA-N 1 0 231.274 2.333 10 0 BEAERO [NH3+]C[C@@H](Nc1ccccc1F)c1cccnc1 ZINC000057519317 181421770 /nfs/dbraw/zinc/42/17/70/181421770.db2.gz RPFCGISJUNGJDA-CYBMUJFWSA-N 1 0 231.274 2.333 10 0 BEAERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)nc1 ZINC000335945206 365304899 /nfs/dbraw/zinc/30/48/99/365304899.db2.gz WVDJJSFDBVCGBO-UKRRQHHQSA-N 1 0 245.370 2.059 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000172859940 365384732 /nfs/dbraw/zinc/38/47/32/365384732.db2.gz LOPFPMXYHWTZJZ-MNOVXSKESA-N 1 0 236.363 2.227 10 0 BEAERO CC(C)N(C(C)C)[C@H](CC[NH3+])C(F)(F)F ZINC000675056319 541462334 /nfs/dbraw/zinc/46/23/34/541462334.db2.gz HJPRBJZFGDJLBX-SECBINFHSA-N 1 0 226.286 2.385 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000576173406 365510081 /nfs/dbraw/zinc/51/00/81/365510081.db2.gz OXLMXPRGCMSYKV-NWDGAFQWSA-N 1 0 208.349 2.003 10 0 BEAERO C[C@@H]([NH3+])[C@@H]1COc2c(F)cc(Cl)cc2C1 ZINC000675063314 541464809 /nfs/dbraw/zinc/46/48/09/541464809.db2.gz CBGFJSIKHQFCAJ-SVRRBLITSA-N 1 0 229.682 2.377 10 0 BEAERO C[C@H]([NH3+])[C@H]1COc2ccc(Cl)cc2C1 ZINC000675063797 541465112 /nfs/dbraw/zinc/46/51/12/541465112.db2.gz PACYWYCIUTWDAK-IONNQARKSA-N 1 0 211.692 2.238 10 0 BEAERO Cc1cc2c(cc1C)OC[C@H]([C@@H](C)[NH3+])C2 ZINC000675063944 541465691 /nfs/dbraw/zinc/46/56/91/541465691.db2.gz UPDFUCRMOYYHAF-ZYHUDNBSSA-N 1 0 205.301 2.202 10 0 BEAERO Clc1ccc([C@]23CC[C@@H]2CC[NH2+]3)cn1 ZINC000685947547 541496796 /nfs/dbraw/zinc/49/67/96/541496796.db2.gz PCGIOTZOWNWJCE-KCJUWKMLSA-N 1 0 208.692 2.334 10 0 BEAERO CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCC[C@H](C)C2 ZINC000685952990 541497682 /nfs/dbraw/zinc/49/76/82/541497682.db2.gz FEPOCPGCTCWGOI-AVGNSLFASA-N 1 0 210.365 2.378 10 0 BEAERO CCc1cn2c([nH+]1)NCC[C@@H]2C(F)F ZINC000234177709 541512330 /nfs/dbraw/zinc/51/23/30/541512330.db2.gz GBFUPXPHXFYMAN-SSDOTTSWSA-N 1 0 201.220 2.067 10 0 BEAERO CCC[C@@H](C)c1cc2nccc(C[NH3+])n2n1 ZINC000233285633 541509124 /nfs/dbraw/zinc/50/91/24/541509124.db2.gz XSUIWCHFCREISE-SECBINFHSA-N 1 0 218.304 2.092 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367683045 367088407 /nfs/dbraw/zinc/08/84/07/367088407.db2.gz BYTDJABDGANCOQ-XGFWRYKXSA-N 1 0 223.360 2.437 10 0 BEAERO CCn1c(C)nnc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000195008947 367331480 /nfs/dbraw/zinc/33/14/80/367331480.db2.gz SWDKACFNDKUPDY-QWRGUYRKSA-N 1 0 236.363 2.084 10 0 BEAERO Cc1noc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382185577 367494669 /nfs/dbraw/zinc/49/46/69/367494669.db2.gz BPLVOZODKDPKHV-BBHBSTQDSA-N 1 0 221.304 2.217 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncnc3sccc32)C1 ZINC000382457363 367525897 /nfs/dbraw/zinc/52/58/97/367525897.db2.gz RTMUUONIFDXHGU-DTWKUNHWSA-N 1 0 248.355 2.231 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncnc3ccsc32)C1 ZINC000382458910 367528169 /nfs/dbraw/zinc/52/81/69/367528169.db2.gz STHTXIHBDHXFBY-BDAKNGLRSA-N 1 0 248.355 2.231 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C1(CC)CCCC1 ZINC000382609758 367547987 /nfs/dbraw/zinc/54/79/87/367547987.db2.gz YLWBUGAGMVABEH-CYBMUJFWSA-N 1 0 243.391 2.476 10 0 BEAERO CCc1cc(CC)nc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382433780 367522669 /nfs/dbraw/zinc/52/26/69/367522669.db2.gz SZQHHXMMYRAWPR-GWCFXTLKSA-N 1 0 248.374 2.141 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1CC ZINC000384038347 367670232 /nfs/dbraw/zinc/67/02/32/367670232.db2.gz UFPGAECEDPEJSX-MCIONIFRSA-N 1 0 243.391 2.284 10 0 BEAERO CC(C)CN(C(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000384284576 367681215 /nfs/dbraw/zinc/68/12/15/367681215.db2.gz VCUTYROAOKNMDS-YPMHNXCESA-N 1 0 238.375 2.022 10 0 BEAERO Cc1c(C[NH2+][C@@H]2C[C@H]2CC(C)C)cnn1C ZINC000385875458 367872376 /nfs/dbraw/zinc/87/23/76/367872376.db2.gz VVXUEMPMSAXUNH-DGCLKSJQSA-N 1 0 221.348 2.253 10 0 BEAERO CCC[C@@H]1C[C@@H]1N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386173633 367924536 /nfs/dbraw/zinc/92/45/36/367924536.db2.gz WUQZWJZLGABMMU-LOWDOPEQSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(Br)cn1 ZINC000252852934 368162867 /nfs/dbraw/zinc/16/28/67/368162867.db2.gz GKJJDCZMJQUJAJ-NBEYISGCSA-N 1 0 241.132 2.295 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2CCCCC2=O)CCS1 ZINC000252980715 368176283 /nfs/dbraw/zinc/17/62/83/368176283.db2.gz NSNAJGSINAMNIW-GHMZBOCLSA-N 1 0 227.373 2.183 10 0 BEAERO C(=C/c1ccccc1)\CN1CC[NH+]2CCC1CC2 ZINC000038339873 368271998 /nfs/dbraw/zinc/27/19/98/368271998.db2.gz LGWAFBWTSXBLIZ-QPJJXVBHSA-N 1 0 242.366 2.480 10 0 BEAERO [NH3+]Cc1ccc(COc2ccccc2)cn1 ZINC000059679940 368334264 /nfs/dbraw/zinc/33/42/64/368334264.db2.gz GZOPEEHBISTSKA-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO Cc1cc(N)c(OCC[NH+](C)C)cc1Cl ZINC000149130448 368350553 /nfs/dbraw/zinc/35/05/53/368350553.db2.gz OZMDQDBNIALYEY-UHFFFAOYSA-N 1 0 228.723 2.171 10 0 BEAERO C[C@@H]1C[C@H](C)N(Cc2ccccc2)C[C@H]1[NH3+] ZINC000101417853 368383917 /nfs/dbraw/zinc/38/39/17/368383917.db2.gz JZDOXTQRTHHGOG-MBNYWOFBSA-N 1 0 218.344 2.244 10 0 BEAERO COc1cccc([C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC000138697251 368390770 /nfs/dbraw/zinc/39/07/70/368390770.db2.gz HJNMSNZVROLPNP-WXHSDQCUSA-N 1 0 203.285 2.018 10 0 BEAERO C[C@@H]1SCC[N@@H+]([C@H]2CCCCC2=O)[C@H]1C ZINC000253069228 368444002 /nfs/dbraw/zinc/44/40/02/368444002.db2.gz LLLIYYDNPXRMSY-DCAQKATOSA-N 1 0 227.373 2.324 10 0 BEAERO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+]([C@H]2CCCC2=O)C1 ZINC000253104082 368491205 /nfs/dbraw/zinc/49/12/05/368491205.db2.gz SELCBMTWZPYEHH-RHYQMDGZSA-N 1 0 209.333 2.474 10 0 BEAERO C[C@@H]([C@H]1COc2ccccc2O1)[NH+]1CCCC1 ZINC000001843853 368709265 /nfs/dbraw/zinc/70/92/65/368709265.db2.gz KAXULGXUSBBIMN-SMDDNHRTSA-N 1 0 233.311 2.311 10 0 BEAERO C[NH2+][C@H](Cc1cccc(C)c1)[C@H]1CCCO1 ZINC000083713267 368808185 /nfs/dbraw/zinc/80/81/85/368808185.db2.gz VILPWTPEIBBXHY-ZIAGYGMSSA-N 1 0 219.328 2.305 10 0 BEAERO COC(=O)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000083881926 368833607 /nfs/dbraw/zinc/83/36/07/368833607.db2.gz WNLVEFFEQSFPIB-AWEZNQCLSA-N 1 0 247.338 2.429 10 0 BEAERO C[C@H]([NH3+])Cc1c[nH]c2ccc3c(c12)CCCO3 ZINC000003964609 368890179 /nfs/dbraw/zinc/89/01/79/368890179.db2.gz VVHJUSGIUWQPIT-VIFPVBQESA-N 1 0 230.311 2.383 10 0 in-vitro BEAERO CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000253277442 368909985 /nfs/dbraw/zinc/90/99/85/368909985.db2.gz JFMOHUZBQMYOEV-UONOGXRCSA-N 1 0 219.328 2.279 10 0 BEAERO COCCc1ccc(C)c(C[NH2+]C2CC2)c1 ZINC000114340256 368935166 /nfs/dbraw/zinc/93/51/66/368935166.db2.gz XXGOLWCMSOSRMH-UHFFFAOYSA-N 1 0 219.328 2.436 10 0 BEAERO C[C@@H]([NH2+]CC(=O)Nc1nccs1)C(C)(C)C ZINC000114474130 368941155 /nfs/dbraw/zinc/94/11/55/368941155.db2.gz YNCDAHFOBCNSLN-MRVPVSSYSA-N 1 0 241.360 2.106 10 0 BEAERO c1cc(C2CC[NH+](CC[C@H]3CCCO3)CC2)n[nH]1 ZINC000188995029 259534936 /nfs/dbraw/zinc/53/49/36/259534936.db2.gz MYOCLPBMFSWFBE-CYBMUJFWSA-N 1 0 249.358 2.158 10 0 BEAERO COCCOc1ccc2[nH]cc(C[NH+](C)C)c2c1 ZINC000115469670 368994759 /nfs/dbraw/zinc/99/47/59/368994759.db2.gz YZUJUGOIGRLMCB-UHFFFAOYSA-N 1 0 248.326 2.255 10 0 BEAERO NC[C@H](C1CCCCC1)[NH+]1CCCCC1 ZINC000022164571 181442469 /nfs/dbraw/zinc/44/24/69/181442469.db2.gz SUGGRTQISKHXPG-CYBMUJFWSA-N 1 0 210.365 2.380 10 0 BEAERO [NH3+]C[C@H](Sc1ncccn1)c1cccs1 ZINC000043113563 181452649 /nfs/dbraw/zinc/45/26/49/181452649.db2.gz ZKGZWHWIAXOJOK-VIFPVBQESA-N 1 0 237.353 2.330 10 0 BEAERO [NH3+]C[C@@H](c1cccs1)c1ccccn1 ZINC000076583377 181455210 /nfs/dbraw/zinc/45/52/10/181455210.db2.gz QKLORPISSQTOFA-SECBINFHSA-N 1 0 204.298 2.234 10 0 BEAERO [NH3+]C[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000019476350 181464984 /nfs/dbraw/zinc/46/49/84/181464984.db2.gz HIKVOGGGLACFOI-SECBINFHSA-N 1 0 244.260 2.490 10 0 BEAERO [NH3+]C[C@]1(CCCOc2ccccc2)CCOC1 ZINC000061817270 181469198 /nfs/dbraw/zinc/46/91/98/181469198.db2.gz WHWSENWBPQZOBM-AWEZNQCLSA-N 1 0 235.327 2.211 10 0 BEAERO CCC[C@H](C(=O)N(C)CC1CCCC1)[NH+](C)C ZINC000155154449 326186805 /nfs/dbraw/zinc/18/68/05/326186805.db2.gz BBUOYSJQBFZINI-CYBMUJFWSA-N 1 0 240.391 2.365 10 0 BEAERO [NH3+]Cc1cc(N2CCCC2)nc2ccccc12 ZINC000051396116 181477472 /nfs/dbraw/zinc/47/74/72/181477472.db2.gz FJUXTZWJAPXQGP-UHFFFAOYSA-N 1 0 227.311 2.294 10 0 BEAERO [NH3+]Cc1cc(F)ccc1OCCc1ccccn1 ZINC000037238301 181477620 /nfs/dbraw/zinc/47/76/20/181477620.db2.gz VABQJSVPBRUYQO-UHFFFAOYSA-N 1 0 246.285 2.301 10 0 BEAERO [NH3+]Cc1ccc(COC[C@H]2CCCCO2)cc1 ZINC000019386921 181482280 /nfs/dbraw/zinc/48/22/80/181482280.db2.gz HHKPQRHAYKQWGD-CQSZACIVSA-N 1 0 235.327 2.231 10 0 BEAERO [NH3+]Cc1ccc(O[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000043477355 181485475 /nfs/dbraw/zinc/48/54/75/181485475.db2.gz UXTKDIUQLXCYCL-CMPLNLGQSA-N 1 0 241.718 2.091 10 0 BEAERO [NH3+]Cc1cnc(Nc2ccccc2)s1 ZINC000011730821 181493631 /nfs/dbraw/zinc/49/36/31/181493631.db2.gz HHGJKHNPNXWWTP-UHFFFAOYSA-N 1 0 205.286 2.345 10 0 BEAERO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]2CO)cc1C ZINC000309908094 370274554 /nfs/dbraw/zinc/27/45/54/370274554.db2.gz LGYGLCOJKGLOJK-UONOGXRCSA-N 1 0 219.328 2.082 10 0 BEAERO CCN1CCO[C@@H](C[NH2+]C2CCCCCC2)C1 ZINC000113266929 370396723 /nfs/dbraw/zinc/39/67/23/370396723.db2.gz UKUFRTATMFNXOW-AWEZNQCLSA-N 1 0 240.391 2.020 10 0 BEAERO C[C@H]1CN[C@H](c2nccs2)SC1 ZINC000161612012 370603608 /nfs/dbraw/zinc/60/36/08/370603608.db2.gz GUOUUISSVXVLRR-XPUUQOCRSA-N 1 0 200.332 2.114 10 0 BEAERO C[C@@H]1CN[C@@H](c2cncs2)SC1 ZINC000161612612 370604651 /nfs/dbraw/zinc/60/46/51/370604651.db2.gz HIXVKZOIPQVNKJ-HTRCEHHLSA-N 1 0 200.332 2.114 10 0 BEAERO C[C@@H]1CCN[C@@H](c2cncs2)S1 ZINC000161613673 370604711 /nfs/dbraw/zinc/60/47/11/370604711.db2.gz OEFJLVYJDDFLFL-HTRCEHHLSA-N 1 0 200.332 2.257 10 0 BEAERO CCCCN(CC)C(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062852347 168795476 /nfs/dbraw/zinc/79/54/76/168795476.db2.gz ULQCPGBBMSVTHH-AWEZNQCLSA-N 1 0 240.391 2.415 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623870785 371134430 /nfs/dbraw/zinc/13/44/30/371134430.db2.gz MUGLNCRXRODEAN-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)n1 ZINC000623871537 371136188 /nfs/dbraw/zinc/13/61/88/371136188.db2.gz HGPIQNRNQQCWJI-AXFHLTTASA-N 1 0 240.372 2.406 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019505736 168795868 /nfs/dbraw/zinc/79/58/68/168795868.db2.gz YETBKFITDMWXSS-NEPJUHHUSA-N 1 0 226.364 2.023 10 0 BEAERO Cc1ccc(CC[NH2+]C[C@@H](O)C(C)(C)C)o1 ZINC000568976022 326384248 /nfs/dbraw/zinc/38/42/48/326384248.db2.gz PNDMTLOXWRPYDS-GFCCVEGCSA-N 1 0 225.332 2.127 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CC[C@H]1c1nccs1 ZINC000161793290 371145098 /nfs/dbraw/zinc/14/50/98/371145098.db2.gz FEMBOCQOGZILNR-ZJUUUORDSA-N 1 0 210.346 2.492 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019505738 168795933 /nfs/dbraw/zinc/79/59/33/168795933.db2.gz YETBKFITDMWXSS-RYUDHWBXSA-N 1 0 226.364 2.023 10 0 BEAERO CSC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000390287415 371194232 /nfs/dbraw/zinc/19/42/32/371194232.db2.gz XLAFZDQQFGBVEU-RYUDHWBXSA-N 1 0 243.416 2.365 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000389961601 371183683 /nfs/dbraw/zinc/18/36/83/371183683.db2.gz WAZLYDKAASZLKO-CMPLNLGQSA-N 1 0 207.321 2.468 10 0 BEAERO [NH3+][C@@H](CO)c1cc(F)cc(Cl)c1Cl ZINC000072198484 181549508 /nfs/dbraw/zinc/54/95/08/181549508.db2.gz OJDMJFFIOOYLPE-ZETCQYMHSA-N 1 0 224.062 2.125 10 0 BEAERO [NH3+][C@@H](Cc1cccc(F)c1)C1CCOCC1 ZINC000061672859 181555567 /nfs/dbraw/zinc/55/55/67/181555567.db2.gz XRYNMDCCVVCOHQ-ZDUSSCGKSA-N 1 0 223.291 2.122 10 0 BEAERO [NH3+][C@@H](Cc1ccccn1)c1ccc(F)cc1 ZINC000020429172 181557686 /nfs/dbraw/zinc/55/76/86/181557686.db2.gz ZMWSBRDTXPXPMU-ZDUSSCGKSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@@H](Cc1cccs1)C1CCOCC1 ZINC000061672619 181557722 /nfs/dbraw/zinc/55/77/22/181557722.db2.gz COUIYGWVUVKGMH-NSHDSACASA-N 1 0 211.330 2.045 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000085325430 181581927 /nfs/dbraw/zinc/58/19/27/181581927.db2.gz MOZCTGWZKJVGQK-WDEREUQCSA-N 1 0 245.282 2.037 10 0 BEAERO [NH3+][C@@H]1COc2ccc(C(F)(F)F)cc21 ZINC000075882314 181596534 /nfs/dbraw/zinc/59/65/34/181596534.db2.gz IWDYFMAZOKVBNW-SSDOTTSWSA-N 1 0 203.163 2.098 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)ccn1 ZINC000391215875 371279318 /nfs/dbraw/zinc/27/93/18/371279318.db2.gz SNBBFVYFNZPFPF-KBPBESRZSA-N 1 0 234.343 2.031 10 0 BEAERO [NH3+][C@H](CCO)c1csc2ccccc21 ZINC000002530272 181616710 /nfs/dbraw/zinc/61/67/10/181616710.db2.gz QZIMSHWZHQHMOB-SNVBAGLBSA-N 1 0 207.298 2.284 10 0 BEAERO [NH3+][C@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000071477423 181655444 /nfs/dbraw/zinc/65/54/44/181655444.db2.gz FLWBNEZLFUQLOX-QMMMGPOBSA-N 1 0 204.248 2.123 10 0 BEAERO [NH3+][C@H](c1ccoc1)c1ccc2c(c1)OCCO2 ZINC000035379675 181635339 /nfs/dbraw/zinc/63/53/39/181635339.db2.gz JZWOVGNHFPRZPO-ZDUSSCGKSA-N 1 0 231.251 2.099 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1Oc1ccc(F)cc1 ZINC000019273125 181641335 /nfs/dbraw/zinc/64/13/35/181641335.db2.gz IOIVLHZNPOACPZ-RYUDHWBXSA-N 1 0 209.264 2.474 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1 ZINC000038049843 181642534 /nfs/dbraw/zinc/64/25/34/181642534.db2.gz XGAFRJGQCZQXAZ-NWDGAFQWSA-N 1 0 233.315 2.078 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1Oc1ccc(F)cc1F ZINC000023069969 181648524 /nfs/dbraw/zinc/64/85/24/181648524.db2.gz KLHRPZLLECDYFE-GXSJLCMTSA-N 1 0 213.227 2.223 10 0 BEAERO [NH3+][C@H]1CCO[C@H](c2ccc(Cl)cc2)OC1 ZINC000028877228 181652693 /nfs/dbraw/zinc/65/26/93/181652693.db2.gz RZLBFMKXXONPNU-QWRGUYRKSA-N 1 0 227.691 2.103 10 0 BEAERO [NH3+][C@H]1CCOC[C@H]1Cc1cccc(Cl)c1 ZINC000082360270 181652796 /nfs/dbraw/zinc/65/27/96/181652796.db2.gz IGUBAGLVAOHGHI-PWSUYJOCSA-N 1 0 225.719 2.246 10 0 BEAERO Nc1c([C@@H]2CCCC[NH2+]2)cc2n1CCCC2 ZINC000100442568 181671662 /nfs/dbraw/zinc/67/16/62/181671662.db2.gz DCCCOOSVCKYUCR-LBPRGKRZSA-N 1 0 219.332 2.221 10 0 BEAERO [NH3+][C@@H]1[C@H](C(=O)OCc2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000079590300 181661103 /nfs/dbraw/zinc/66/11/03/181661103.db2.gz KIDIWSPNMARBQG-RQJABVFESA-N 1 0 245.322 2.103 10 0 BEAERO CCC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1 ZINC000624235443 371422474 /nfs/dbraw/zinc/42/24/74/371422474.db2.gz KIGHWRVPLKJKCY-SOUVJXGZSA-N 1 0 249.354 2.267 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccc(C)c1 ZINC000624239155 371428790 /nfs/dbraw/zinc/42/87/90/371428790.db2.gz FLLJDSPUZPGFGL-ZNMIVQPWSA-N 1 0 249.354 2.186 10 0 BEAERO Nc1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000042443249 181743529 /nfs/dbraw/zinc/74/35/29/181743529.db2.gz MFUUEFONTGGABG-UHFFFAOYSA-N 1 0 222.357 2.208 10 0 BEAERO C[C@H]1Oc2c(c(Br)ccc2F)[C@H]1[NH3+] ZINC000126647435 371541694 /nfs/dbraw/zinc/54/16/94/371541694.db2.gz QJQBPIKIGUJIRZ-VHWMUFPASA-N 1 0 246.079 2.369 10 0 BEAERO FC(F)(Br)C1(F)CC[NH2+]CC1 ZINC000225683794 371565708 /nfs/dbraw/zinc/56/57/08/371565708.db2.gz WHLWFXAETIDEHZ-UHFFFAOYSA-N 1 0 232.043 2.066 10 0 BEAERO C[C@@H](C[N@@H+]1CC[C@@H](C)C[C@@H]1C)C(N)=S ZINC000225723986 371570674 /nfs/dbraw/zinc/57/06/74/371570674.db2.gz LCYBVIXSTKIRIV-UTLUCORTSA-N 1 0 214.378 2.029 10 0 BEAERO COc1cccc(Cl)c1[C@@H]1C[C@@H]1C[NH3+] ZINC000162076905 371608874 /nfs/dbraw/zinc/60/88/74/371608874.db2.gz KCAATIXSQZSTMF-HTQZYQBOSA-N 1 0 211.692 2.411 10 0 BEAERO C[N@@H+]1CCC[C@H]1CNc1cccc(Cl)n1 ZINC000226138255 371612000 /nfs/dbraw/zinc/61/20/00/371612000.db2.gz LXOWWMRPEFOBHE-VIFPVBQESA-N 1 0 225.723 2.241 10 0 BEAERO Clc1csc(N[C@@H]2CCC[NH2+]CC2)n1 ZINC000226474123 371672678 /nfs/dbraw/zinc/67/26/78/371672678.db2.gz NAHJWQDSVRFHSR-SSDOTTSWSA-N 1 0 231.752 2.351 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccc(CO)cc2)CC1 ZINC000215727038 371621292 /nfs/dbraw/zinc/62/12/92/371621292.db2.gz IFKMBAMNISCQMK-ZDUSSCGKSA-N 1 0 219.328 2.378 10 0 BEAERO CNC(=[NH2+])Nc1cc(F)cc(Cl)c1 ZINC000230059113 371642418 /nfs/dbraw/zinc/64/24/18/371642418.db2.gz UUNVIAKSZXRKRF-UHFFFAOYSA-N 1 0 201.632 2.045 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)[C@@H](c2cccs2)OC1 ZINC000226346420 371650625 /nfs/dbraw/zinc/65/06/25/371650625.db2.gz LUGIGPNGIPZTRA-YWVKMMECSA-N 1 0 211.330 2.434 10 0 BEAERO [NH3+][C@@H](Cc1ccoc1)[C@H]1CCCCS1 ZINC000131730790 371662495 /nfs/dbraw/zinc/66/24/95/371662495.db2.gz QXWIEJJNJYJGEJ-WDEREUQCSA-N 1 0 211.330 2.435 10 0 BEAERO [NH3+]C1(C(=O)c2ccc(Cl)s2)CCC1 ZINC000226778440 371739264 /nfs/dbraw/zinc/73/92/64/371739264.db2.gz YEAUDDOWKFEBPO-UHFFFAOYSA-N 1 0 215.705 2.466 10 0 BEAERO CC[C@](C)([NH3+])C(=O)c1ccc(F)c(C)c1 ZINC000226664360 371719571 /nfs/dbraw/zinc/71/95/71/371719571.db2.gz YRCJVDRQHLNLRS-LBPRGKRZSA-N 1 0 209.264 2.444 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C[NH3+] ZINC000216553698 371767786 /nfs/dbraw/zinc/76/77/86/371767786.db2.gz UCDITJRJTQLEDR-LBPRGKRZSA-N 1 0 228.336 2.125 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@]1(C)C[NH3+] ZINC000216553655 371768040 /nfs/dbraw/zinc/76/80/40/371768040.db2.gz UCDITJRJTQLEDR-GFCCVEGCSA-N 1 0 228.336 2.125 10 0 BEAERO [NH3+][C@H](c1ccns1)C1CCSCC1 ZINC000401699367 371800565 /nfs/dbraw/zinc/80/05/65/371800565.db2.gz MHUAHMCWMZQFIQ-VIFPVBQESA-N 1 0 214.359 2.286 10 0 BEAERO [NH3+]C[C@H](F)Cc1ccc(F)cc1Cl ZINC000162849357 371865772 /nfs/dbraw/zinc/86/57/72/371865772.db2.gz RRBXAFZFSNSGBE-MRVPVSSYSA-N 1 0 205.635 2.318 10 0 BEAERO C[C@@]1(OCc2ccccc2)CCC[NH2+]C1 ZINC000230199432 371869679 /nfs/dbraw/zinc/86/96/79/371869679.db2.gz IDBUDTCORHXDDF-CYBMUJFWSA-N 1 0 205.301 2.345 10 0 BEAERO C[NH2+][C@@H](c1ccsc1C)[C@H]1CCCO1 ZINC000227792270 371939560 /nfs/dbraw/zinc/93/95/60/371939560.db2.gz FAJQFURLYQRIIA-MNOVXSKESA-N 1 0 211.330 2.496 10 0 BEAERO CN(C)[C@H](C[NH3+])c1ccc(Cl)cc1F ZINC000162990485 371903649 /nfs/dbraw/zinc/90/36/49/371903649.db2.gz ZVUKCWWSUZSNPG-SNVBAGLBSA-N 1 0 216.687 2.041 10 0 BEAERO Nc1cc(NCc2ccsc2)cc[nH+]1 ZINC000227660209 371915778 /nfs/dbraw/zinc/91/57/78/371915778.db2.gz MFXKIELBIBOKNR-UHFFFAOYSA-N 1 0 205.286 2.337 10 0 BEAERO C[C@@H](C[NH2+]C1CCC1)NC(=O)OC(C)(C)C ZINC000227680112 371919779 /nfs/dbraw/zinc/91/97/79/371919779.db2.gz VDHYAKMKSFYILS-VIFPVBQESA-N 1 0 228.336 2.042 10 0 BEAERO [NH3+]Cc1c(Cl)scc1[C@H]1CCOC1 ZINC000132799193 371923354 /nfs/dbraw/zinc/92/33/54/371923354.db2.gz IYWVLIPRBSZPAW-LURJTMIESA-N 1 0 217.721 2.364 10 0 BEAERO CCC[NH2+]C[C@@H](CC)NC(=O)OC(C)(C)C ZINC000227715532 371925421 /nfs/dbraw/zinc/92/54/21/371925421.db2.gz NMANVWFGJAZIRZ-SNVBAGLBSA-N 1 0 230.352 2.289 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H]1SCCS[C@@H]1C ZINC000228104334 371991204 /nfs/dbraw/zinc/99/12/04/371991204.db2.gz MNKBIFWTIQJYGT-HRDYMLBCSA-N 1 0 205.392 2.207 10 0 BEAERO Cc1sccc1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227881013 371955191 /nfs/dbraw/zinc/95/51/91/371955191.db2.gz FWEYPPCXTBDHRT-LLVKDONJSA-N 1 0 209.314 2.381 10 0 BEAERO Cc1cc(Br)ccc1[C@@H](O)[C@@H](C)[NH3+] ZINC000217449609 371955220 /nfs/dbraw/zinc/95/52/20/371955220.db2.gz FYBSQOLOEILTQL-XCBNKYQSSA-N 1 0 244.132 2.138 10 0 BEAERO CC[C@H]1C[C@@]1([NH3+])c1ncccc1Br ZINC000133349117 372027701 /nfs/dbraw/zinc/02/77/01/372027701.db2.gz NZSFFWIJHCSJKT-XVKPBYJWSA-N 1 0 241.132 2.428 10 0 BEAERO [NH3+][C@H](Cc1sccc1Cl)c1ncc[nH]1 ZINC000306676549 372054425 /nfs/dbraw/zinc/05/44/25/372054425.db2.gz WKGLXSOPFQXEFP-SSDOTTSWSA-N 1 0 227.720 2.367 10 0 BEAERO C[NH2+][C@H](CCCOCc1ccccc1)COC ZINC000307288938 372108141 /nfs/dbraw/zinc/10/81/41/372108141.db2.gz DVETYGBUKIMVEO-CQSZACIVSA-N 1 0 237.343 2.218 10 0 BEAERO CC[NH2+][C@]1(c2nccs2)CC[C@@H]2C[C@@H]21 ZINC000306822315 372071160 /nfs/dbraw/zinc/07/11/60/372071160.db2.gz NBFKNZGSLIHHQQ-WCABBAIRSA-N 1 0 208.330 2.378 10 0 BEAERO c1ncn(Cc2ccccc2)c1[C@H]1CCC[NH2+]1 ZINC000228742704 372076324 /nfs/dbraw/zinc/07/63/24/372076324.db2.gz NNCMDASUAHEHDU-CYBMUJFWSA-N 1 0 227.311 2.356 10 0 BEAERO C[C@@](F)(c1ccsn1)[C@H]1CCC[NH2+]1 ZINC000306965499 372082292 /nfs/dbraw/zinc/08/22/92/372082292.db2.gz KDDFOPQQALQSEG-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO C[C@H]1CCSC(NCc2cscn2)=[NH+]1 ZINC000133653405 372085458 /nfs/dbraw/zinc/08/54/58/372085458.db2.gz BXGPMNPRTNDAIU-ZETCQYMHSA-N 1 0 227.358 2.114 10 0 BEAERO CSC1(c2[nH+]cn(C(C)C)c2N)CC1 ZINC000307226106 372099541 /nfs/dbraw/zinc/09/95/41/372099541.db2.gz AGSTZUJYQXLPGD-UHFFFAOYSA-N 1 0 211.334 2.398 10 0 BEAERO Cc1cc([C@@H](O)[C@H]([NH3+])C(C)C)ccc1F ZINC000032012535 372134364 /nfs/dbraw/zinc/13/43/64/372134364.db2.gz XLMPKKVOKXJZDT-VXGBXAGGSA-N 1 0 211.280 2.151 10 0 BEAERO CC1(C)[C@@H]([NH3+])C[C@]1(F)c1ccns1 ZINC000405299022 372151233 /nfs/dbraw/zinc/15/12/33/372151233.db2.gz QYUGICMLJHMYDA-RCOVLWMOSA-N 1 0 200.282 2.065 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCO[C@H]2C)cs1 ZINC000229450842 372153557 /nfs/dbraw/zinc/15/35/57/372153557.db2.gz QBJNZHDCTBRPMH-GDPRMGEGSA-N 1 0 211.330 2.481 10 0 BEAERO Cc1ncsc1CC[C@@H]1CCC[NH2+]C1 ZINC000134209203 372181173 /nfs/dbraw/zinc/18/11/73/372181173.db2.gz ABSKGGKHSBLWHP-JTQLQIEISA-N 1 0 210.346 2.384 10 0 BEAERO C[C@@H]1C[C@@](C)(CO)C[N@@H+]1Cc1ccccc1 ZINC000164577095 372167449 /nfs/dbraw/zinc/16/74/49/372167449.db2.gz ZNOPMPNKAXGTMO-TZMCWYRMSA-N 1 0 219.328 2.279 10 0 BEAERO Fc1cc(O[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000134372052 372199683 /nfs/dbraw/zinc/19/96/83/372199683.db2.gz YXLNRNSSJMUBGE-MRVPVSSYSA-N 1 0 215.655 2.220 10 0 BEAERO O=C(CC1CC[NH2+]CC1)NCC1CCCCC1 ZINC000037260050 181896243 /nfs/dbraw/zinc/89/62/43/181896243.db2.gz JHJUIQOUCJJVGC-UHFFFAOYSA-N 1 0 238.375 2.073 10 0 BEAERO Cc1cc2ncn(CC[NH+](C)C)c2cc1C ZINC000008410181 372703022 /nfs/dbraw/zinc/70/30/22/372703022.db2.gz GRNIGLMBIMWMLW-UHFFFAOYSA-N 1 0 217.316 2.215 10 0 BEAERO CC[NH2+]Cc1cc2cccc3c2n(c1=O)CCC3 ZINC000039287206 372930231 /nfs/dbraw/zinc/93/02/31/372930231.db2.gz FZCRIEAAIMLHSX-UHFFFAOYSA-N 1 0 242.322 2.057 10 0 BEAERO CCC[NH2+]Cc1cc2cccc3c2n(c1=O)CC3 ZINC000039288562 372932250 /nfs/dbraw/zinc/93/22/50/372932250.db2.gz HZDBLENOLDJHRT-UHFFFAOYSA-N 1 0 242.322 2.057 10 0 BEAERO CC(C)(C)CNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055136823 166583299 /nfs/dbraw/zinc/58/32/99/166583299.db2.gz KUWDSJPTYALXBF-WDEREUQCSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])CNCc1ccccc1 ZINC000040409695 373241073 /nfs/dbraw/zinc/24/10/73/373241073.db2.gz PPGAIVBQDXBIEF-DGCLKSJQSA-N 1 0 206.333 2.150 10 0 BEAERO O=C(NC1CCCCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000019409668 182113908 /nfs/dbraw/zinc/11/39/08/182113908.db2.gz YAAFBDNTLJTIPX-GFCCVEGCSA-N 1 0 238.375 2.215 10 0 BEAERO [NH3+][C@H]1COc2c1c(Br)ccc2Cl ZINC000069717433 373646954 /nfs/dbraw/zinc/64/69/54/373646954.db2.gz UXQSPJXFLQMWPG-LURJTMIESA-N 1 0 248.507 2.495 10 0 BEAERO Brc1ccoc1[C@H]1CCC[NH2+]1 ZINC000069841606 373853522 /nfs/dbraw/zinc/85/35/22/373853522.db2.gz XDBKBDKJPCIRDJ-SSDOTTSWSA-N 1 0 216.078 2.467 10 0 BEAERO Nc1ncccc1[C@H]([NH3+])C1CCCCC1 ZINC000069845087 373877141 /nfs/dbraw/zinc/87/71/41/373877141.db2.gz KOIRDNORLOHJSK-LLVKDONJSA-N 1 0 205.305 2.244 10 0 BEAERO OCc1c[nH+]ccc1Nc1ccccc1 ZINC000142771764 373970542 /nfs/dbraw/zinc/97/05/42/373970542.db2.gz AFSLMBSXVPMKSX-UHFFFAOYSA-N 1 0 200.241 2.318 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000069938796 374081062 /nfs/dbraw/zinc/08/10/62/374081062.db2.gz OAULTFZNJXCAPY-XVKPBYJWSA-N 1 0 241.132 2.342 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ncccc1Cl ZINC000070010630 374109268 /nfs/dbraw/zinc/10/92/68/374109268.db2.gz FIJHCXAAFUEYPN-VIFPVBQESA-N 1 0 213.712 2.130 10 0 BEAERO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccsc1 ZINC000143156532 374140365 /nfs/dbraw/zinc/14/03/65/374140365.db2.gz SNDIYIPKTQKBEI-VIFPVBQESA-N 1 0 242.344 2.273 10 0 BEAERO C[C@H]([NH3+])c1csc([C@H]2CCCOC2)n1 ZINC000070842475 374204833 /nfs/dbraw/zinc/20/48/33/374204833.db2.gz CXEWNTJOWDLQKO-YUMQZZPRSA-N 1 0 212.318 2.057 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C1CCCC1 ZINC000246444614 374260298 /nfs/dbraw/zinc/26/02/98/374260298.db2.gz IBSXMLRMFKTHFE-AAEUAGOBSA-N 1 0 208.349 2.098 10 0 BEAERO Cc1cc(Br)cc([C@@H](O)CC[NH3+])c1 ZINC000143685990 374242398 /nfs/dbraw/zinc/24/23/98/374242398.db2.gz KCWICYCWQXECHU-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(=O)CC1 ZINC000042863746 374294830 /nfs/dbraw/zinc/29/48/30/374294830.db2.gz LHZRHDMATNZBID-NEPJUHHUSA-N 1 0 209.333 2.478 10 0 BEAERO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(=O)CC1 ZINC000042863744 374294858 /nfs/dbraw/zinc/29/48/58/374294858.db2.gz LHZRHDMATNZBID-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO O=C(Nc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000020362730 182356492 /nfs/dbraw/zinc/35/64/92/182356492.db2.gz VPDWQSZOTHJREA-SNVBAGLBSA-N 1 0 242.681 2.170 10 0 BEAERO O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000020362729 182356761 /nfs/dbraw/zinc/35/67/61/182356761.db2.gz VPDWQSZOTHJREA-JTQLQIEISA-N 1 0 242.681 2.170 10 0 BEAERO O=C(NCC1CCCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000178441645 134306891 /nfs/dbraw/zinc/30/68/91/134306891.db2.gz IRXGRLQSCDYSKQ-CYBMUJFWSA-N 1 0 238.375 2.073 10 0 BEAERO O=C(Nc1cccc(Cl)c1F)[C@H]1CC[NH2+]C1 ZINC000062112620 182369382 /nfs/dbraw/zinc/36/93/82/182369382.db2.gz HGJUVCGHUSOZEL-ZETCQYMHSA-N 1 0 242.681 2.027 10 0 BEAERO CC[NH2+]CCc1ccc(OCC)c(F)c1 ZINC000107284525 170117264 /nfs/dbraw/zinc/11/72/64/170117264.db2.gz WYMQNWPURQMBIO-UHFFFAOYSA-N 1 0 211.280 2.376 10 0 BEAERO CCCCOc1c(CC[NH3+])cccc1OC ZINC000011864474 168913918 /nfs/dbraw/zinc/91/39/18/168913918.db2.gz YBDUSQONCLVACJ-UHFFFAOYSA-N 1 0 223.316 2.375 10 0 BEAERO O=c1c2ccccc2ccn1CC1CC[NH2+]CC1 ZINC000057871502 182989527 /nfs/dbraw/zinc/98/95/27/182989527.db2.gz LWYOJHLRKOCIRU-UHFFFAOYSA-N 1 0 242.322 2.001 10 0 BEAERO OC1(CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000336549860 183015494 /nfs/dbraw/zinc/01/54/94/183015494.db2.gz UFWIKXXIUVQUAZ-NEPJUHHUSA-N 1 0 209.333 2.166 10 0 BEAERO OC1(C2CC2)C[NH+](CCCCc2ccccc2)C1 ZINC000122305168 183015711 /nfs/dbraw/zinc/01/57/11/183015711.db2.gz HOUUTPKINBTXJG-UHFFFAOYSA-N 1 0 245.366 2.466 10 0 BEAERO OC1(C[NH2+]C[C@@H]2CCCCO2)CCCCCC1 ZINC000042819594 183019815 /nfs/dbraw/zinc/01/98/15/183019815.db2.gz RNNMASWSYJFCHN-ZDUSSCGKSA-N 1 0 241.375 2.230 10 0 BEAERO OC1(C[NH2+]C[C@H]2CCCCO2)CCCCCC1 ZINC000042819598 183019927 /nfs/dbraw/zinc/01/99/27/183019927.db2.gz RNNMASWSYJFCHN-CYBMUJFWSA-N 1 0 241.375 2.230 10 0 BEAERO OC1([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000004204195 183023517 /nfs/dbraw/zinc/02/35/17/183023517.db2.gz RSWDCBNJSMCSMC-CYBMUJFWSA-N 1 0 217.312 2.033 10 0 BEAERO OC1CC(CC[NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000336696482 183026412 /nfs/dbraw/zinc/02/64/12/183026412.db2.gz ZQZOORQBBIEMIC-KPFVRQRISA-N 1 0 229.339 2.265 10 0 BEAERO OCC1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090981428 183040454 /nfs/dbraw/zinc/04/04/54/183040454.db2.gz FEXFREPURVLLCY-CQSZACIVSA-N 1 0 231.339 2.031 10 0 BEAERO OCC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090981429 183041059 /nfs/dbraw/zinc/04/10/59/183041059.db2.gz FEXFREPURVLLCY-AWEZNQCLSA-N 1 0 231.339 2.031 10 0 BEAERO OCCC1(C[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000336688304 183041907 /nfs/dbraw/zinc/04/19/07/183041907.db2.gz VBIGTLQIXCQKTO-RYUDHWBXSA-N 1 0 229.339 2.267 10 0 BEAERO CCCC[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892081 168971136 /nfs/dbraw/zinc/97/11/36/168971136.db2.gz WKYFNJLSMLWEGS-SECBINFHSA-N 1 0 220.272 2.311 10 0 BEAERO OCCCCCCc1cccc2c[nH+]cn21 ZINC000029409922 183045794 /nfs/dbraw/zinc/04/57/94/183045794.db2.gz IQOREJDFIZLDQJ-UHFFFAOYSA-N 1 0 218.300 2.430 10 0 BEAERO OCC1([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000120359373 183038426 /nfs/dbraw/zinc/03/84/26/183038426.db2.gz NTEWUEFLCNFSGO-UHFFFAOYSA-N 1 0 229.682 2.094 10 0 BEAERO OCC1(Nc2ccccn2)CCCCC1 ZINC000053096412 183039668 /nfs/dbraw/zinc/03/96/68/183039668.db2.gz UUWPULUTCPOLPP-UHFFFAOYSA-N 1 0 206.289 2.189 10 0 BEAERO OCC[N@H+](C[C@H]1Cc2ccccc21)C1CCC1 ZINC000228523091 183068466 /nfs/dbraw/zinc/06/84/66/183068466.db2.gz NYEPHYJEEKANDG-CYBMUJFWSA-N 1 0 231.339 2.173 10 0 BEAERO OCC[C@@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000336717927 183093229 /nfs/dbraw/zinc/09/32/29/183093229.db2.gz UUEOQMHUPFTMCD-KGLIPLIRSA-N 1 0 231.339 2.173 10 0 BEAERO CCCC[C@H](CC)CNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104227240 168999286 /nfs/dbraw/zinc/99/92/86/168999286.db2.gz FQCMWVXOUKEKSH-RWMBFGLXSA-N 1 0 240.391 2.175 10 0 BEAERO CCCCc1ccc(-n2nnnc2[C@H](C)[NH3+])cc1 ZINC000062493951 169019316 /nfs/dbraw/zinc/01/93/16/169019316.db2.gz CHYZQBNEGVGWCP-JTQLQIEISA-N 1 0 245.330 2.025 10 0 BEAERO CCCCc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1 ZINC000035679549 169020502 /nfs/dbraw/zinc/02/05/02/169020502.db2.gz ACQOVQRGWXAJCY-LBPRGKRZSA-N 1 0 232.327 2.093 10 0 BEAERO OC[C@H]([NH2+]C1CCCC1)[C@@H]1CC=CCC1 ZINC000038123034 183139800 /nfs/dbraw/zinc/13/98/00/183139800.db2.gz NHUBKKZXXMOEPY-YPMHNXCESA-N 1 0 209.333 2.236 10 0 BEAERO OC[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)c1ccccc1 ZINC000071140030 183141366 /nfs/dbraw/zinc/14/13/66/183141366.db2.gz MFFYKLHONLXSMR-BARDWOONSA-N 1 0 229.323 2.274 10 0 BEAERO OC[C@H]1CCCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000367738742 183146419 /nfs/dbraw/zinc/14/64/19/183146419.db2.gz UPPHTDDIEGWAMM-ZFWWWQNUSA-N 1 0 245.366 2.421 10 0 BEAERO CCCN(C(=O)[C@@H]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000055146741 169045266 /nfs/dbraw/zinc/04/52/66/169045266.db2.gz SDGDSQZVVRUHGD-QWHCGFSZSA-N 1 0 240.391 2.399 10 0 BEAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000219005896 183148636 /nfs/dbraw/zinc/14/86/36/183148636.db2.gz BWOUVFMMOUGGJL-OCCSQVGLSA-N 1 0 237.318 2.466 10 0 BEAERO CCCN(C(=O)C1(CC)CC[NH2+]CC1)C(C)C ZINC000062848057 169041343 /nfs/dbraw/zinc/04/13/43/169041343.db2.gz MCLJWVXIVMXNPW-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO CCCN(C(=O)NC1CC1)c1ccc(C[NH3+])cc1 ZINC000054456961 169043517 /nfs/dbraw/zinc/04/35/17/169043517.db2.gz LMJYPJVERDKWQA-UHFFFAOYSA-N 1 0 247.342 2.234 10 0 BEAERO CCCN(C(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000055126346 169045968 /nfs/dbraw/zinc/04/59/68/169045968.db2.gz ZSCFFMYEVAWLPU-XQQFMLRXSA-N 1 0 240.391 2.397 10 0 BEAERO O[C@@H](C[NH2+]C1CCC1)c1ccccc1F ZINC000052209861 183178195 /nfs/dbraw/zinc/17/81/95/183178195.db2.gz YBASPLCAHIYRSA-LBPRGKRZSA-N 1 0 209.264 2.001 10 0 BEAERO CCCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000055086984 169046887 /nfs/dbraw/zinc/04/68/87/169046887.db2.gz CXHOJJIJJFXRLS-NWDGAFQWSA-N 1 0 226.364 2.151 10 0 BEAERO CCCN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000124827905 169054934 /nfs/dbraw/zinc/05/49/34/169054934.db2.gz PBHFDGJFMVSHDN-GFCCVEGCSA-N 1 0 243.395 2.014 10 0 BEAERO OCc1sccc1C[NH+]1CCCCC1 ZINC000045205676 183171320 /nfs/dbraw/zinc/17/13/20/183171320.db2.gz KFUJYGGHZWXVJQ-UHFFFAOYSA-N 1 0 211.330 2.226 10 0 BEAERO O[C@@H](CC[NH+]1CCCCC1)COc1ccccc1 ZINC000029487076 183174190 /nfs/dbraw/zinc/17/41/90/183174190.db2.gz GUYIJDDAVHMGFY-AWEZNQCLSA-N 1 0 249.354 2.302 10 0 BEAERO O[C@@H](c1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000036159634 183185016 /nfs/dbraw/zinc/18/50/16/183185016.db2.gz VVFCJUFGVWIZQL-HZGVNTEJSA-N 1 0 217.721 2.187 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000084225586 183196102 /nfs/dbraw/zinc/19/61/02/183196102.db2.gz ISPLSDRJOMCMHL-UONOGXRCSA-N 1 0 242.322 2.238 10 0 BEAERO O[C@@H]1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000041225890 183202563 /nfs/dbraw/zinc/20/25/63/183202563.db2.gz JIKYCLGMRKFQKM-MNOVXSKESA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H](c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000041225902 183186019 /nfs/dbraw/zinc/18/60/19/183186019.db2.gz DBNLVCOMVDGCDS-MNOVXSKESA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1/C(=C\c2ccsc2)[NH+]2CCC1CC2 ZINC000033477353 183186614 /nfs/dbraw/zinc/18/66/14/183186614.db2.gz HNBVTNPDDZRELH-VNKGSWCUSA-N 1 0 221.325 2.176 10 0 BEAERO O[C@@H]1CCCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000135639490 183188241 /nfs/dbraw/zinc/18/82/41/183188241.db2.gz PEXUWQQUVPHBMJ-HZPDHXFCSA-N 1 0 245.366 2.437 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC2(CC2)CC1 ZINC000371198049 183188330 /nfs/dbraw/zinc/18/83/30/183188330.db2.gz LHGLAJFMWVWDMI-NWDGAFQWSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@H](CCc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000071532484 183220472 /nfs/dbraw/zinc/22/04/72/183220472.db2.gz RJBKRAGCQDMLQP-CMPLNLGQSA-N 1 0 225.357 2.041 10 0 BEAERO O[C@H](C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000070459496 183220740 /nfs/dbraw/zinc/22/07/40/183220740.db2.gz PNGPREBFAVWHQX-CYBMUJFWSA-N 1 0 241.281 2.484 10 0 BEAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(F)c(Cl)c1 ZINC000071558189 183222859 /nfs/dbraw/zinc/22/28/59/183222859.db2.gz SBXBHHNLKBYUDH-JTQLQIEISA-N 1 0 243.709 2.135 10 0 BEAERO CCCN(C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000020225826 169086086 /nfs/dbraw/zinc/08/60/86/169086086.db2.gz LAKNMAPIRXSXKS-ZDUSSCGKSA-N 1 0 222.332 2.037 10 0 BEAERO CCCN(C)[C@@H](C[NH3+])c1ccccc1OC ZINC000020225776 169086282 /nfs/dbraw/zinc/08/62/82/169086282.db2.gz INCSWTVDXOQLSH-LBPRGKRZSA-N 1 0 222.332 2.037 10 0 BEAERO O[C@H](c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000032012630 183228393 /nfs/dbraw/zinc/22/83/93/183228393.db2.gz LVFIHQWHTRBXQD-GHMZBOCLSA-N 1 0 211.692 2.125 10 0 BEAERO CCCN(C)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596567 169087299 /nfs/dbraw/zinc/08/72/99/169087299.db2.gz ZKPWHNPUMUPDCA-CYBMUJFWSA-N 1 0 236.359 2.345 10 0 BEAERO O[C@H](c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000041225888 183229597 /nfs/dbraw/zinc/22/95/97/183229597.db2.gz NULYGTQKFDJDFT-GHMZBOCLSA-N 1 0 211.692 2.125 10 0 BEAERO CCCN(C)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054894985 169089637 /nfs/dbraw/zinc/08/96/37/169089637.db2.gz ZRGUMUQUTQDFEZ-QMMMGPOBSA-N 1 0 225.361 2.325 10 0 BEAERO CCCN(C)c1nc2ccccn2c1C[NH2+]CC ZINC000035449269 169089966 /nfs/dbraw/zinc/08/99/66/169089966.db2.gz CSFULBNWPMUUMN-UHFFFAOYSA-N 1 0 246.358 2.290 10 0 BEAERO CCCN(C)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054894982 169090584 /nfs/dbraw/zinc/09/05/84/169090584.db2.gz ZRGUMUQUTQDFEZ-MRVPVSSYSA-N 1 0 225.361 2.325 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000042237084 183238229 /nfs/dbraw/zinc/23/82/29/183238229.db2.gz ZVGWSUYKEQUGEM-OLZOCXBDSA-N 1 0 239.746 2.386 10 0 BEAERO CCC[N@H+](CC)CCNCc1cccn1CC ZINC000217730779 169122261 /nfs/dbraw/zinc/12/22/61/169122261.db2.gz YRACRSKXOVIQEZ-UHFFFAOYSA-N 1 0 237.391 2.330 10 0 BEAERO O[C@H]1CCCC[C@H]1Nc1ccncc1Cl ZINC000086778426 183233667 /nfs/dbraw/zinc/23/36/67/183233667.db2.gz HLARRFFZOHZITC-MNOVXSKESA-N 1 0 226.707 2.450 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000037164416 183235354 /nfs/dbraw/zinc/23/53/54/183235354.db2.gz GYAUEKKKNLKMJG-OLZOCXBDSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000037509510 183236096 /nfs/dbraw/zinc/23/60/96/183236096.db2.gz WIWJGYIWKYXNMS-BDAKNGLRSA-N 1 0 229.707 2.326 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000037509511 183236549 /nfs/dbraw/zinc/23/65/49/183236549.db2.gz WIWJGYIWKYXNMS-IUCAKERBSA-N 1 0 229.707 2.326 10 0 BEAERO CCCN(CC(F)(F)F)c1cc[nH+]c(CO)c1 ZINC000042779277 169107575 /nfs/dbraw/zinc/10/75/75/169107575.db2.gz BWFMNCKCIMQLNA-UHFFFAOYSA-N 1 0 248.248 2.353 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053156266 183237822 /nfs/dbraw/zinc/23/78/22/183237822.db2.gz UBRVCRMVURPOKE-NEPJUHHUSA-N 1 0 243.709 2.482 10 0 BEAERO CCC[NH+](CCC)C[C@H](O)c1cccc(N)c1 ZINC000041138489 169148941 /nfs/dbraw/zinc/14/89/41/169148941.db2.gz BNEMZHUZXGTVIQ-AWEZNQCLSA-N 1 0 236.359 2.424 10 0 BEAERO Oc1ccc2c(c1)[C@@H]1CCC[NH2+][C@H]1CC2 ZINC000029558937 183281718 /nfs/dbraw/zinc/28/17/18/183281718.db2.gz IETCXPRUYLQUEH-AAEUAGOBSA-N 1 0 203.285 2.174 10 0 BEAERO O=c1cc(C[NH2+]CC2CC2)c2ccccc2[nH]1 ZINC000104167327 183257617 /nfs/dbraw/zinc/25/76/17/183257617.db2.gz QJGTYDAHBZTGHD-UHFFFAOYSA-N 1 0 228.295 2.440 10 0 BEAERO Oc1ccc2c(c1)[C@H](C1CCOCC1)[NH2+]CC2 ZINC000083662160 183281242 /nfs/dbraw/zinc/28/12/42/183281242.db2.gz UUMDCHDLVURORK-AWEZNQCLSA-N 1 0 233.311 2.006 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055124807 169144055 /nfs/dbraw/zinc/14/40/55/169144055.db2.gz KLXYBAVLFRGXFG-AGIUHOORSA-N 1 0 240.391 2.399 10 0 BEAERO CCC[NH+](CCC)CC(=O)Nc1ccncc1 ZINC000112558934 169147581 /nfs/dbraw/zinc/14/75/81/169147581.db2.gz YAFZKRACDVWFDW-UHFFFAOYSA-N 1 0 235.331 2.142 10 0 BEAERO CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H]1C ZINC000107352647 169147835 /nfs/dbraw/zinc/14/78/35/169147835.db2.gz MZOACACWSXLHAI-CHWSQXEVSA-N 1 0 240.391 2.413 10 0 BEAERO CCCN(CCC[NH3+])C(=O)c1cccc(C)c1 ZINC000036731276 169155075 /nfs/dbraw/zinc/15/50/75/169155075.db2.gz DWLQTPNZYBTUOT-UHFFFAOYSA-N 1 0 234.343 2.196 10 0 BEAERO CCCN(CC[NH3+])c1ccc(CC)cc1 ZINC000076583878 169157798 /nfs/dbraw/zinc/15/77/98/169157798.db2.gz WLSAQHAYXQGPRD-UHFFFAOYSA-N 1 0 206.333 2.424 10 0 BEAERO CCCN(CC[NH3+])c1cccc(C(C)=O)c1 ZINC000076610409 169158685 /nfs/dbraw/zinc/15/86/85/169158685.db2.gz QKRGVEHQTRALKB-UHFFFAOYSA-N 1 0 220.316 2.064 10 0 BEAERO Oc1cccc([C@]23C[NH2+][C@H](C2)CCC3)c1 ZINC000033828381 183293949 /nfs/dbraw/zinc/29/39/49/183293949.db2.gz DREINLSVLGLBIY-AAEUAGOBSA-N 1 0 203.285 2.176 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]CC1CCOCC1 ZINC000107064338 183295612 /nfs/dbraw/zinc/29/56/12/183295612.db2.gz LKRVPXWNGXSIPF-CQSZACIVSA-N 1 0 247.338 2.396 10 0 BEAERO Oc1cccc2c1CC[C@H]1[NH2+]CCC[C@H]21 ZINC000006093823 183296139 /nfs/dbraw/zinc/29/61/39/183296139.db2.gz RWDHALOKAOEZPC-ZYHUDNBSSA-N 1 0 203.285 2.174 10 0 BEAERO CCCN([C@@H](C)c1ccccn1)[C@@H]1CC[NH2+]C1 ZINC000071314726 169181229 /nfs/dbraw/zinc/18/12/29/169181229.db2.gz MOUBBMFSUXVUEH-QWHCGFSZSA-N 1 0 233.359 2.217 10 0 BEAERO C#[N+]c1cc(-c2ccncc2)c(C)[nH]c1=O ZINC000100080126 183317203 /nfs/dbraw/zinc/31/72/03/183317203.db2.gz CCGWOALSOFLMBV-UHFFFAOYSA-N 1 0 211.224 2.296 10 0 BEAERO c1c(C[NH2+]C2CCCC2)nc2n1CCCC2 ZINC000309327682 183322172 /nfs/dbraw/zinc/32/21/72/183322172.db2.gz GYDDETHXAZWESA-UHFFFAOYSA-N 1 0 219.332 2.252 10 0 BEAERO c1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cs1 ZINC000063084640 183330926 /nfs/dbraw/zinc/33/09/26/183330926.db2.gz OPXUZDAZQDPXTQ-VIFPVBQESA-N 1 0 249.339 2.340 10 0 BEAERO CCCN1CCO[C@@H](c2ccccc2OC)C1 ZINC000013726352 169204367 /nfs/dbraw/zinc/20/43/67/169204367.db2.gz OPOXPSMABYNZSE-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CCCNC(=O)C[C@@H](C[NH3+])c1cc(C)ccc1C ZINC000076634363 169232424 /nfs/dbraw/zinc/23/24/24/169232424.db2.gz DKHYZLFROCAJQR-ZDUSSCGKSA-N 1 0 248.370 2.262 10 0 BEAERO CCC[N@@H+]1CC[C@]2(C1)Cc1ccccc1NC2=O ZINC000096091995 169206655 /nfs/dbraw/zinc/20/66/55/169206655.db2.gz MJIWRSAHPKCGTC-OAHLLOKOSA-N 1 0 244.338 2.283 10 0 BEAERO CCC[N@@H+]1CC[C@@]2(C1)Cc1ccccc1NC2=O ZINC000096091994 169208183 /nfs/dbraw/zinc/20/81/83/169208183.db2.gz MJIWRSAHPKCGTC-HNNXBMFYSA-N 1 0 244.338 2.283 10 0 BEAERO CCCN1CCc2nc([C@H]([NH3+])CC)sc2C1 ZINC000041059230 169208480 /nfs/dbraw/zinc/20/84/80/169208480.db2.gz PZRXRJIIIICFPN-SECBINFHSA-N 1 0 239.388 2.321 10 0 BEAERO CCC[N@@H+]1C[C@H](C)NC[C@@H]1c1ccccc1 ZINC000062608936 169210582 /nfs/dbraw/zinc/21/05/82/169210582.db2.gz JDFQRLPDBGNZJZ-GXTWGEPZSA-N 1 0 218.344 2.431 10 0 BEAERO c1n[nH]cc1C[NH2+]Cc1cccc2cnccc21 ZINC000061125396 183351187 /nfs/dbraw/zinc/35/11/87/183351187.db2.gz PDBLYQNDQWRTTH-UHFFFAOYSA-N 1 0 238.294 2.248 10 0 BEAERO c1cc(COCCCC2CC[NH2+]CC2)ccn1 ZINC000095092581 183354906 /nfs/dbraw/zinc/35/49/06/183354906.db2.gz VWRGQXAWQVULQV-UHFFFAOYSA-N 1 0 234.343 2.378 10 0 BEAERO c1cc(CS[C@H]2CCC[NH2+]C2)ccn1 ZINC000095092730 183355068 /nfs/dbraw/zinc/35/50/68/183355068.db2.gz FXUPWAGNOQQUJL-NSHDSACASA-N 1 0 208.330 2.067 10 0 BEAERO c1cc2c(ccnc2C[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000089220620 183363405 /nfs/dbraw/zinc/36/34/05/183363405.db2.gz YOTBTKLEMRUORY-JTQLQIEISA-N 1 0 215.300 2.105 10 0 BEAERO CCC[NH2+]CC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061119056 169256185 /nfs/dbraw/zinc/25/61/85/169256185.db2.gz XZHWHZYPBNRTJE-UHFFFAOYSA-N 1 0 246.232 2.042 10 0 BEAERO CCC[NH2+]CCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000043427169 169256602 /nfs/dbraw/zinc/25/66/02/169256602.db2.gz DDXNVJZYCOCBKI-KBPBESRZSA-N 1 0 240.391 2.020 10 0 BEAERO c1cc(C[NH2+]C[C@H]2CCCCO2)cc2c1NCC2 ZINC000042825516 183367932 /nfs/dbraw/zinc/36/79/32/183367932.db2.gz GGHGKTCWSPYDPW-CQSZACIVSA-N 1 0 246.354 2.313 10 0 BEAERO c1cc(C[NH2+]C[C@@H]2CCCCO2)cc2c1OCO2 ZINC000049633127 183368061 /nfs/dbraw/zinc/36/80/61/183368061.db2.gz SIINUXKSHGADGQ-LBPRGKRZSA-N 1 0 249.310 2.074 10 0 BEAERO c1cc(CC[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000057500166 183368159 /nfs/dbraw/zinc/36/81/59/183368159.db2.gz HIEUDYKTRWOVLW-NSHDSACASA-N 1 0 219.284 2.100 10 0 BEAERO CCC[NH2+]CCOc1cccc(OCC)c1 ZINC000051846323 169260255 /nfs/dbraw/zinc/26/02/55/169260255.db2.gz UQBCNTWDUBFWAJ-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO c1cc(C[C@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000082913370 183369464 /nfs/dbraw/zinc/36/94/64/183369464.db2.gz BJEXOQOGDUTQEK-GFCCVEGCSA-N 1 0 201.313 2.327 10 0 BEAERO CCC[NH2+]CCOC(=O)Nc1ccccc1 ZINC000082691133 169260759 /nfs/dbraw/zinc/26/07/59/169260759.db2.gz PJEGZOBPMOXMNU-UHFFFAOYSA-N 1 0 222.288 2.235 10 0 BEAERO CCC[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000052377991 169262493 /nfs/dbraw/zinc/26/24/93/169262493.db2.gz ZTXGQEGXHMAJRE-HNNXBMFYSA-N 1 0 248.370 2.060 10 0 BEAERO c1cc2cc([C@@H]3CCC[NH2+]C3)ncc2[nH]1 ZINC000074211602 183374148 /nfs/dbraw/zinc/37/41/48/183374148.db2.gz ULSTWQSNBNXASK-SNVBAGLBSA-N 1 0 201.273 2.030 10 0 BEAERO c1cc2ncc([C@H]3CCCC[NH2+]3)cc2[nH]1 ZINC000089221690 183376785 /nfs/dbraw/zinc/37/67/85/183376785.db2.gz OQJPPNSSWAALDD-SNVBAGLBSA-N 1 0 201.273 2.378 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCCN1CC(C)C ZINC000053651181 169262633 /nfs/dbraw/zinc/26/26/33/169262633.db2.gz HPSYNWKNUIZUGZ-ZDUSSCGKSA-N 1 0 212.381 2.497 10 0 BEAERO c1cn(-c2ccccc2NC2CC[NH2+]CC2)cn1 ZINC000038040892 183385843 /nfs/dbraw/zinc/38/58/43/183385843.db2.gz KHYOPCXCYFBIRG-UHFFFAOYSA-N 1 0 242.326 2.036 10 0 BEAERO c1ncn(C2CC[NH2+]CC2)c1-c1ccccc1 ZINC000082656524 183380815 /nfs/dbraw/zinc/38/08/15/183380815.db2.gz ZLHWUYZUPDDRME-UHFFFAOYSA-N 1 0 227.311 2.475 10 0 BEAERO c1cn2c(cccc2SC2CC[NH2+]CC2)n1 ZINC000089201255 183360069 /nfs/dbraw/zinc/36/00/69/183360069.db2.gz WLQTXPVWTUMOGE-UHFFFAOYSA-N 1 0 233.340 2.178 10 0 BEAERO CCC[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000033466170 169262830 /nfs/dbraw/zinc/26/28/30/169262830.db2.gz JOJQINKLHKWJIG-CYBMUJFWSA-N 1 0 237.343 2.043 10 0 BEAERO CCC[NH2+][C@H](C)c1ccccc1N(C)CCO ZINC000037899443 169287302 /nfs/dbraw/zinc/28/73/02/169287302.db2.gz DYLLKRZIIOYNGW-GFCCVEGCSA-N 1 0 236.359 2.176 10 0 BEAERO CCC[NH2+][C@H](C)c1nnc([C@H]2CCCCO2)o1 ZINC000050973908 169288330 /nfs/dbraw/zinc/28/83/30/169288330.db2.gz QTRPEQHLOUIYBM-NXEZZACHSA-N 1 0 239.319 2.372 10 0 BEAERO CCC[NH2+][C@H](C)c1nnc(-c2ccncc2)o1 ZINC000050619446 169288447 /nfs/dbraw/zinc/28/84/47/169288447.db2.gz SUJXUIYEJQKLFB-SECBINFHSA-N 1 0 232.287 2.192 10 0 BEAERO CCC[NH2+][C@H](C[C@H]1CCCO1)c1cncnc1 ZINC000052887146 169288749 /nfs/dbraw/zinc/28/87/49/169288749.db2.gz MQWQYOYANPJBDV-CHWSQXEVSA-N 1 0 235.331 2.086 10 0 BEAERO CCC[NH2+][C@H](CCCOC)Cc1ccncc1 ZINC000060709633 169289396 /nfs/dbraw/zinc/28/93/96/169289396.db2.gz ZYJHKVLPRIJLHT-CQSZACIVSA-N 1 0 236.359 2.419 10 0 BEAERO CCC[NH2+]C[C@H](C)N1CCOc2ccccc2C1 ZINC000063013699 169264114 /nfs/dbraw/zinc/26/41/14/169264114.db2.gz KYFAEMSETICLKO-ZDUSSCGKSA-N 1 0 248.370 2.269 10 0 BEAERO CCC[NH2+]C[C@H](O)c1cc(C)ccc1OC ZINC000037882808 169264781 /nfs/dbraw/zinc/26/47/81/169264781.db2.gz KIJFGHDHGYPFHB-LBPRGKRZSA-N 1 0 223.316 2.037 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc(OC)c(C)c1 ZINC000049819405 169264831 /nfs/dbraw/zinc/26/48/31/169264831.db2.gz YNRGUVXZZNWZOS-LBPRGKRZSA-N 1 0 223.316 2.037 10 0 BEAERO CCC[NH2+]Cc1c(N(C)CC)nc2ccccn21 ZINC000035449067 169265285 /nfs/dbraw/zinc/26/52/85/169265285.db2.gz WAXZNUSGOKWMPX-UHFFFAOYSA-N 1 0 246.358 2.290 10 0 BEAERO c1cn(CCC[NH2+]CCc2ccccc2)cn1 ZINC000010314162 183393437 /nfs/dbraw/zinc/39/34/37/183393437.db2.gz BDSAVZONHFEKKT-UHFFFAOYSA-N 1 0 229.327 2.106 10 0 BEAERO CCC[NH2+]Cc1cccc(N2CC[C@H](C)C2)n1 ZINC000051448256 169268313 /nfs/dbraw/zinc/26/83/13/169268313.db2.gz CVFBNTLTEJWYKJ-LBPRGKRZSA-N 1 0 233.359 2.427 10 0 BEAERO CCC[NH2+]Cc1cccc(-n2cnc(C)c2C)n1 ZINC000051928477 169268359 /nfs/dbraw/zinc/26/83/59/169268359.db2.gz AYYBBYUMKOVVGT-UHFFFAOYSA-N 1 0 244.342 2.384 10 0 BEAERO CCC[NH2+]Cc1cnc2c(cnn2CCC)c1 ZINC000104309300 169268832 /nfs/dbraw/zinc/26/88/32/169268832.db2.gz IQJSOBVSGDEQPT-UHFFFAOYSA-N 1 0 232.331 2.341 10 0 BEAERO CCC[NH2+]Cc1nc2c(cccc2F)[nH]1 ZINC000044624013 169268971 /nfs/dbraw/zinc/26/89/71/169268971.db2.gz LKQIKPGZWHHUKS-UHFFFAOYSA-N 1 0 207.252 2.202 10 0 BEAERO CCC[NH2+][C@@H](C)c1ccc(-n2cnnc2)cc1 ZINC000055170204 169275530 /nfs/dbraw/zinc/27/55/30/169275530.db2.gz OOGSRSRRKZAOIV-NSHDSACASA-N 1 0 230.315 2.328 10 0 BEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CCOCC ZINC000111712148 169276093 /nfs/dbraw/zinc/27/60/93/169276093.db2.gz IUXINOUYLROXQS-KBPBESRZSA-N 1 0 242.407 2.266 10 0 BEAERO CCC[NH2+][C@@H](C)[C@H](C)N(C)C[C@@H]1CCCOC1 ZINC000104198531 169276451 /nfs/dbraw/zinc/27/64/51/169276451.db2.gz PSFWFCHPLKBDBW-IHRRRGAJSA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+][C@@H](C)c1cnc(CCOC)nc1C ZINC000054963194 169276497 /nfs/dbraw/zinc/27/64/97/169276497.db2.gz MSWOKHFGUXFZIO-JTQLQIEISA-N 1 0 237.347 2.035 10 0 BEAERO CCC[NH2+][C@@H](Cc1cccnc1)c1cncnc1 ZINC000053132169 169278891 /nfs/dbraw/zinc/27/88/91/169278891.db2.gz QVGNACHXJUJXSR-AWEZNQCLSA-N 1 0 242.326 2.155 10 0 BEAERO CCC[NH2+][C@@H](CN1C[C@@H](C)CC1=O)C(C)(C)C ZINC000062816589 169279391 /nfs/dbraw/zinc/27/93/91/169279391.db2.gz NSQIOPOHZOLTBF-RYUDHWBXSA-N 1 0 240.391 2.269 10 0 BEAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)c1ccccn1 ZINC000050542613 169279698 /nfs/dbraw/zinc/27/96/98/169279698.db2.gz ODCUPRZSSHIPGY-AWEZNQCLSA-N 1 0 244.342 2.099 10 0 BEAERO CCC[NH2+][C@@H]1CCN(CCC2CCCC2)C1=O ZINC000049648871 169281966 /nfs/dbraw/zinc/28/19/66/169281966.db2.gz AYRFAAAJFRMPCU-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2ccccn2)[C@H](C)C1 ZINC000049712263 169282769 /nfs/dbraw/zinc/28/27/69/169282769.db2.gz WAHXDYWFYRURCX-ZIAGYGMSSA-N 1 0 247.386 2.434 10 0 BEAERO CCCOc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000071536944 169317277 /nfs/dbraw/zinc/31/72/77/169317277.db2.gz CQCDEMDXFAAXBK-ZDUSSCGKSA-N 1 0 233.311 2.410 10 0 BEAERO c1ccc(OCC[NH2+]CC2CCOCC2)cc1 ZINC000052172539 183420708 /nfs/dbraw/zinc/42/07/08/183420708.db2.gz BJVAPMTUDIMRBJ-UHFFFAOYSA-N 1 0 235.327 2.082 10 0 BEAERO CCCOCCO[C@H](C[NH3+])c1cccc(F)c1 ZINC000104248640 169309847 /nfs/dbraw/zinc/30/98/47/169309847.db2.gz CIECCBQPKGDXFM-CYBMUJFWSA-N 1 0 241.306 2.269 10 0 BEAERO CCCO[C@@H]1CCCN(C2(C[NH3+])CCCC2)C1 ZINC000042421294 169310938 /nfs/dbraw/zinc/31/09/38/169310938.db2.gz OEUFJLAQYDTYAE-CYBMUJFWSA-N 1 0 240.391 2.149 10 0 BEAERO CCCO[C@@H]1CCC[N@@H+]([C@@H](CN)[C@@H](C)CC)C1 ZINC000042421152 169311893 /nfs/dbraw/zinc/31/18/93/169311893.db2.gz UVGZPGBCGJOPQS-MJBXVCDLSA-N 1 0 242.407 2.251 10 0 BEAERO CCCO[C@H]1CCCN([C@@](C)(C[NH3+])C2CC2)C1 ZINC000042421161 169313082 /nfs/dbraw/zinc/31/30/82/169313082.db2.gz ZCWXMYKJROXKNU-KBPBESRZSA-N 1 0 240.391 2.005 10 0 BEAERO CCCO[C@H]1CCCN(C[C@](C)([NH3+])CCC)C1 ZINC000042425525 169313362 /nfs/dbraw/zinc/31/33/62/169313362.db2.gz JAFTYCYFBJHIEH-UONOGXRCSA-N 1 0 242.407 2.395 10 0 BEAERO c1ccc([C@@H]2[NH2+]CC23CCOCC3)cc1 ZINC000328579608 183429043 /nfs/dbraw/zinc/42/90/43/183429043.db2.gz QXAJILBHGRNHBN-LBPRGKRZSA-N 1 0 203.285 2.128 10 0 BEAERO CCCOc1cc(C[NH2+]C)ccc1OC ZINC000019776967 169314688 /nfs/dbraw/zinc/31/46/88/169314688.db2.gz OFABLMKFIBGMPM-UHFFFAOYSA-N 1 0 209.289 2.203 10 0 BEAERO CCCOc1ccc(-c2cn(CC[NH3+])cn2)cc1 ZINC000071559919 169316696 /nfs/dbraw/zinc/31/66/96/169316696.db2.gz PWDDMODRFKMESL-UHFFFAOYSA-N 1 0 245.326 2.298 10 0 BEAERO CCC[NH2+][C@H]1CCN([C@H]2CCCC[C@@H]2C)C1=O ZINC000049647860 169291324 /nfs/dbraw/zinc/29/13/24/169291324.db2.gz FSFUZXDWYNJCJS-AVGNSLFASA-N 1 0 238.375 2.166 10 0 BEAERO CCC[NH2+][C@H]1CCC[C@H]1OC[C@@H]1CCCCO1 ZINC000044065686 169291373 /nfs/dbraw/zinc/29/13/73/169291373.db2.gz YYKXGECYCYMDTK-MELADBBJSA-N 1 0 241.375 2.493 10 0 BEAERO CCC[NH2+][C@H]1CCN([C@@H](C)Cc2ccco2)C1 ZINC000042590220 169291382 /nfs/dbraw/zinc/29/13/82/169291382.db2.gz AWLRDGLEZBKOCP-STQMWFEESA-N 1 0 236.359 2.285 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2cccc(OC)c2)C1 ZINC000038077988 169291700 /nfs/dbraw/zinc/29/17/00/169291700.db2.gz YASQKZBBWCGPCB-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000049647710 169291721 /nfs/dbraw/zinc/29/17/21/169291721.db2.gz OPKFSTUVZATIHT-AWEZNQCLSA-N 1 0 246.354 2.096 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cccc(COC)c2)C1 ZINC000049508971 169291803 /nfs/dbraw/zinc/29/18/03/169291803.db2.gz DTLYDDUSRBCGIW-AWEZNQCLSA-N 1 0 248.370 2.411 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cccc(F)c2)C1 ZINC000037240147 169291819 /nfs/dbraw/zinc/29/18/19/169291819.db2.gz BKDBMBBHPGIOOH-LBPRGKRZSA-N 1 0 222.307 2.404 10 0 BEAERO CCC[NH2+][C@H]1CCCc2nc(C)ncc21 ZINC000050100983 169292036 /nfs/dbraw/zinc/29/20/36/169292036.db2.gz QDTKEBKXKDAWNP-NSHDSACASA-N 1 0 205.305 2.162 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2ccncc2)[C@H](C)C1 ZINC000049712484 169292138 /nfs/dbraw/zinc/29/21/38/169292138.db2.gz FUTBRCYSWXENCB-HIFRSBDPSA-N 1 0 247.386 2.434 10 0 BEAERO CCC[NH2+][C@H]1CCc2c1cccc2OCCCO ZINC000062799857 169292460 /nfs/dbraw/zinc/29/24/60/169292460.db2.gz IROZXSRPTAQURV-AWEZNQCLSA-N 1 0 249.354 2.435 10 0 BEAERO c1ccc2[nH]c(OC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000051883262 183436331 /nfs/dbraw/zinc/43/63/31/183436331.db2.gz AUOOYGRPYJVJLU-SNVBAGLBSA-N 1 0 231.299 2.084 10 0 BEAERO c1nn(CC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000051919984 183455120 /nfs/dbraw/zinc/45/51/20/183455120.db2.gz PMNYELQXFQHCLY-GFCCVEGCSA-N 1 0 229.327 2.426 10 0 BEAERO c1ccc2nc(NC[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000133831347 183458911 /nfs/dbraw/zinc/45/89/11/183458911.db2.gz LVVMAPNGAXSGFU-LLVKDONJSA-N 1 0 227.311 2.256 10 0 BEAERO CCCOc1ccc([C@@H](C)N2CC[NH2+]CC2)cc1 ZINC000038086582 169321211 /nfs/dbraw/zinc/32/12/11/169321211.db2.gz YDUODWIYZGPTIW-CYBMUJFWSA-N 1 0 248.370 2.442 10 0 BEAERO CCCOc1ccc([C@@]2(C)C[C@@H]2[NH3+])cc1 ZINC000052126229 169321225 /nfs/dbraw/zinc/32/12/25/169321225.db2.gz ZYMRICHKYPTTAX-QWHCGFSZSA-N 1 0 205.301 2.464 10 0 BEAERO CCCOc1ccc([C@@H]([NH3+])Cn2ccnc2)cc1 ZINC000022563721 169321355 /nfs/dbraw/zinc/32/13/55/169321355.db2.gz DZGLKLWFIMBQGG-AWEZNQCLSA-N 1 0 245.326 2.372 10 0 BEAERO CCCOc1ccc([C@H](O)[C@H]([NH3+])C(C)C)cc1 ZINC000071548173 169322220 /nfs/dbraw/zinc/32/22/20/169322220.db2.gz IHJQLEKYNIMJEM-KGLIPLIRSA-N 1 0 237.343 2.492 10 0 BEAERO c1ccc2c(c1)ncnc2OCC1CC[NH2+]CC1 ZINC000051869919 183440269 /nfs/dbraw/zinc/44/02/69/183440269.db2.gz UPDXZMGTOGMVMI-UHFFFAOYSA-N 1 0 243.310 2.008 10 0 BEAERO CCCOc1cccc2c1O[C@H](C)[C@H]2[NH3+] ZINC000043635044 169327041 /nfs/dbraw/zinc/32/70/41/169327041.db2.gz VLOVKLORUIHLOS-LDYMZIIASA-N 1 0 207.273 2.256 10 0 BEAERO CCC[C@@H](C(=O)N[C@H](C)CC(C)C)[NH+](C)C ZINC000120315770 169345388 /nfs/dbraw/zinc/34/53/88/169345388.db2.gz JJDQVGWJFLGDFT-NEPJUHHUSA-N 1 0 228.380 2.268 10 0 BEAERO CCC[C@@H](C(=O)Nc1cc(C)ccn1)[NH+](C)C ZINC000156831521 169346141 /nfs/dbraw/zinc/34/61/41/169346141.db2.gz WFSOHRHPUFHMMR-NSHDSACASA-N 1 0 235.331 2.059 10 0 BEAERO CCC[C@@H](C)C(=O)N[C@H](C[NH3+])Cc1ccccc1 ZINC000104325750 169352301 /nfs/dbraw/zinc/35/23/01/169352301.db2.gz WRYVKQIKBAGMFI-OCCSQVGLSA-N 1 0 248.370 2.109 10 0 BEAERO CCC[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)CC ZINC000034938771 169370701 /nfs/dbraw/zinc/37/07/01/169370701.db2.gz NGBDHGHOWVPXQG-AXFHLTTASA-N 1 0 214.353 2.068 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCn1cc(C)cn1 ZINC000127359955 169359931 /nfs/dbraw/zinc/35/99/31/169359931.db2.gz DZVKONCWZIJKQX-LLVKDONJSA-N 1 0 209.337 2.217 10 0 BEAERO CCC[C@@H](CC)[NH2+]Cc1c(C)nn(C)c1OC ZINC000105462096 169379578 /nfs/dbraw/zinc/37/95/78/169379578.db2.gz LPHINFUWFATNMH-LLVKDONJSA-N 1 0 239.363 2.405 10 0 BEAERO CCC[C@@H](C[NH3+])CCC(=O)N1CCC(C)CC1 ZINC000076622584 169383859 /nfs/dbraw/zinc/38/38/59/169383859.db2.gz LOILFAXSUROUDF-CYBMUJFWSA-N 1 0 240.391 2.400 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000037764230 169391573 /nfs/dbraw/zinc/39/15/73/169391573.db2.gz MOPJJHFAOOWNFJ-BXKDBHETSA-N 1 0 238.306 2.130 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1c(F)cccc1F ZINC000036873085 169392146 /nfs/dbraw/zinc/39/21/46/169392146.db2.gz UCWDDCTZTSXAJO-SECBINFHSA-N 1 0 228.242 2.031 10 0 BEAERO CCC[C@@H]([NH3+])[C@H](CC)[N@H+](CCOC)CC(C)C ZINC000042368903 169393091 /nfs/dbraw/zinc/39/30/91/169393091.db2.gz FAGIMHAMVNFBOD-KGLIPLIRSA-N 1 0 244.423 2.497 10 0 BEAERO CCC[C@@H]([NH3+])c1noc([C@H]2CCCCO2)n1 ZINC000050973537 169395407 /nfs/dbraw/zinc/39/54/07/169395407.db2.gz LZRXHMKQXWZAHI-RKDXNWHRSA-N 1 0 225.292 2.111 10 0 BEAERO c1coc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000057353443 183509927 /nfs/dbraw/zinc/50/99/27/183509927.db2.gz ARBNPUQUHSMWAW-UHFFFAOYSA-N 1 0 241.294 2.488 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC(C)C ZINC000336737993 169418471 /nfs/dbraw/zinc/41/84/71/169418471.db2.gz NXTKPDMPSQBFPT-NEPJUHHUSA-N 1 0 226.364 2.069 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1([S@](C)=O)CC1 ZINC000309439186 169418947 /nfs/dbraw/zinc/41/89/47/169418947.db2.gz IADIXYPTGFUHIK-HSMVNMDESA-N 1 0 243.416 2.456 10 0 BEAERO c1nnc(SCC[C@@H]2CCC[NH2+]C2)s1 ZINC000051920330 183551488 /nfs/dbraw/zinc/55/14/88/183551488.db2.gz UYQKWJOHASLMQO-QMMMGPOBSA-N 1 0 229.374 2.020 10 0 BEAERO c1nnc([C@H]2CCC[NH2+]C2)n1C1CCCCC1 ZINC000054526626 183553846 /nfs/dbraw/zinc/55/38/46/183553846.db2.gz JOKUQZYDCWYUJS-NSHDSACASA-N 1 0 234.347 2.250 10 0 BEAERO CCC[C@H](C)C[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038013862 169481235 /nfs/dbraw/zinc/48/12/35/169481235.db2.gz QBMDBGKCAKMOJF-RYUDHWBXSA-N 1 0 228.380 2.317 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1CCSC1 ZINC000224427436 134347342 /nfs/dbraw/zinc/34/73/42/134347342.db2.gz UDDHEENFTIDDPP-JQWIXIFHSA-N 1 0 235.352 2.463 10 0 BEAERO CCC[C@]1(C(=O)N2CCC[C@@H]2CC)CC[NH2+]C1 ZINC000062896611 169555329 /nfs/dbraw/zinc/55/53/29/169555329.db2.gz BVHYAZNQTKRPMY-JSGCOSHPSA-N 1 0 238.375 2.167 10 0 BEAERO CCCc1nc2c(s1)C[C@H]([NH2+]C)CC2 ZINC000211846850 169594537 /nfs/dbraw/zinc/59/45/37/169594537.db2.gz MRCHLKQEHNUHOE-MRVPVSSYSA-N 1 0 210.346 2.172 10 0 BEAERO CCCn1c2ncccc2nc1[C@@H]1CCC[NH2+]C1 ZINC000082551935 169615522 /nfs/dbraw/zinc/61/55/22/169615522.db2.gz DOULSGAITICVFK-LLVKDONJSA-N 1 0 244.342 2.308 10 0 BEAERO CCCn1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000302024094 169623027 /nfs/dbraw/zinc/62/30/27/169623027.db2.gz LIDBBODSZQRJRS-TZMCWYRMSA-N 1 0 236.359 2.413 10 0 BEAERO CC(C)(C)[C@@H](C[NH3+])N1CCc2ccccc21 ZINC000041051517 166693807 /nfs/dbraw/zinc/69/38/07/166693807.db2.gz ZGGVUMDLIXPQKX-CYBMUJFWSA-N 1 0 218.344 2.423 10 0 BEAERO CCN(C(=O)[C@H]1C[NH2+]C[C@H]1C)C1CCCCC1 ZINC000104222119 169654660 /nfs/dbraw/zinc/65/46/60/169654660.db2.gz JQEHFFWCSRPKID-YPMHNXCESA-N 1 0 238.375 2.023 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000227907909 259634550 /nfs/dbraw/zinc/63/45/50/259634550.db2.gz DXKXUENIYBMKEA-KGLIPLIRSA-N 1 0 243.391 2.142 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H]1CCC(C)(C)O1 ZINC000184658930 134367630 /nfs/dbraw/zinc/36/76/30/134367630.db2.gz HRIPHRHZZHSHTA-UTUOFQBUSA-N 1 0 227.348 2.053 10 0 BEAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H](C)CO ZINC000035603619 383861896 /nfs/dbraw/zinc/86/18/96/383861896.db2.gz OVEVDEOBJBFKSD-ZDEQEGDKSA-N 1 0 213.365 2.418 10 0 BEAERO CCc1ccc([C@@H](C)[NH2+]CCC(=O)OC)cc1 ZINC000036803943 383910210 /nfs/dbraw/zinc/91/02/10/383910210.db2.gz DZDUXJSWTJRXFD-LLVKDONJSA-N 1 0 235.327 2.463 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CC2)c(C)c1 ZINC000036782409 383910380 /nfs/dbraw/zinc/91/03/80/383910380.db2.gz JMSRKZBENNTHID-LBPRGKRZSA-N 1 0 246.354 2.233 10 0 BEAERO Clc1ccccc1CNCc1cncnc1 ZINC000054766910 383918897 /nfs/dbraw/zinc/91/88/97/383918897.db2.gz ZFUPBNDVWHQGTL-UHFFFAOYSA-N 1 0 233.702 2.420 10 0 BEAERO C[C@@H]([NH2+]Cc1ncccc1Cl)[C@@H]1CCCO1 ZINC000528441777 383882968 /nfs/dbraw/zinc/88/29/68/383882968.db2.gz APGDGYAGNMFERC-SKDRFNHKSA-N 1 0 240.734 2.392 10 0 BEAERO CC[C@@H]([NH3+])COc1ccc(F)c(F)c1 ZINC000111929513 383886593 /nfs/dbraw/zinc/88/65/93/383886593.db2.gz YFOBZIWRUHGPGO-SSDOTTSWSA-N 1 0 201.216 2.081 10 0 BEAERO CCn1cncc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000647251553 383889298 /nfs/dbraw/zinc/88/92/98/383889298.db2.gz BZSFBNIZFMDATE-CYZMBNFOSA-N 1 0 219.332 2.181 10 0 BEAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)nn1 ZINC000647251623 383891180 /nfs/dbraw/zinc/89/11/80/383891180.db2.gz DTPQOSLPQQXCIS-CYZMBNFOSA-N 1 0 248.374 2.311 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089733352 383990109 /nfs/dbraw/zinc/99/01/09/383990109.db2.gz UVQYJOJRQLQJEI-STQMWFEESA-N 1 0 248.374 2.080 10 0 BEAERO [NH3+]CCc1cc(Cl)cc2cccnc21 ZINC000068590164 383999600 /nfs/dbraw/zinc/99/96/00/383999600.db2.gz KQFCBNFZGGSLIP-UHFFFAOYSA-N 1 0 206.676 2.389 10 0 BEAERO CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089165762 383938626 /nfs/dbraw/zinc/93/86/26/383938626.db2.gz LLPJCXMOXHCHLV-JSGCOSHPSA-N 1 0 249.354 2.336 10 0 BEAERO O=C1[C@@H]2CC[C@@H](C2)[C@@H]1C[NH+]1CCCCC1 ZINC000002534438 383970480 /nfs/dbraw/zinc/97/04/80/383970480.db2.gz OEAONVDZGJMUKW-TUAOUCFPSA-N 1 0 207.317 2.088 10 0 BEAERO c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cncnc1)C2 ZINC000054768222 383977228 /nfs/dbraw/zinc/97/72/28/383977228.db2.gz DTQJTPYETABJCT-OAHLLOKOSA-N 1 0 239.322 2.124 10 0 BEAERO [NH3+]Cc1ccc([C@@H](O)c2ccsc2)s1 ZINC000090397636 384044247 /nfs/dbraw/zinc/04/42/47/384044247.db2.gz GEUUISKLTZNDTJ-JTQLQIEISA-N 1 0 225.338 2.350 10 0 BEAERO C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000035654521 384088423 /nfs/dbraw/zinc/08/84/23/384088423.db2.gz NMAMDQFRRRJBPC-VIFPVBQESA-N 1 0 242.116 2.492 10 0 BEAERO C[NH2+][C@H]1COc2c1cc(F)cc2Br ZINC000035655196 384089270 /nfs/dbraw/zinc/08/92/70/384089270.db2.gz OCOINBRNMSDDPT-QMMMGPOBSA-N 1 0 246.079 2.241 10 0 BEAERO [NH3+][C@@H]1CSC[C@H]1Cc1ccccc1F ZINC000098099414 384056461 /nfs/dbraw/zinc/05/64/61/384056461.db2.gz ZMPJDPGDZVZIQT-MWLCHTKSSA-N 1 0 211.305 2.059 10 0 BEAERO Cc1ccc(C(=O)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000036157495 384070818 /nfs/dbraw/zinc/07/08/18/384070818.db2.gz HWXHPRMVUHKLSG-GFCCVEGCSA-N 1 0 203.285 2.238 10 0 BEAERO CC[C@@H](C[NH3+])n1nc(C)c(Br)c1C ZINC000050589270 384098329 /nfs/dbraw/zinc/09/83/29/384098329.db2.gz RSMUTQOCJRTLJK-QMMMGPOBSA-N 1 0 246.152 2.172 10 0 BEAERO [NH3+][C@H]1C[C@@H](c2cccs2)Cc2n[nH]cc21 ZINC000072415357 384104276 /nfs/dbraw/zinc/10/42/76/384104276.db2.gz NRXCZTPMPAMYIH-APPZFPTMSA-N 1 0 219.313 2.201 10 0 BEAERO Cc1ccc([C@@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)cc1 ZINC000072415338 384104545 /nfs/dbraw/zinc/10/45/45/384104545.db2.gz HWNQLPKMEPSQNX-AAEUAGOBSA-N 1 0 227.311 2.448 10 0 BEAERO Cn1ncc2c1C[C@H](c1ccc(F)cc1)C[C@H]2[NH3+] ZINC000072415894 384107973 /nfs/dbraw/zinc/10/79/73/384107973.db2.gz HQRYAMGIWGHCEU-ZWNOBZJWSA-N 1 0 245.301 2.289 10 0 BEAERO Cn1ncc2c1C[C@@H](c1ccc(F)cc1)C[C@@H]2[NH3+] ZINC000072415893 384108206 /nfs/dbraw/zinc/10/82/06/384108206.db2.gz HQRYAMGIWGHCEU-GWCFXTLKSA-N 1 0 245.301 2.289 10 0 BEAERO Cc1ccc([C@@H]2Cc3c(cnn3C)[C@@H]([NH3+])C2)cc1 ZINC000072415876 384109405 /nfs/dbraw/zinc/10/94/05/384109405.db2.gz YXSDNCHRDJUHGA-JSGCOSHPSA-N 1 0 241.338 2.458 10 0 BEAERO C[NH2+][C@@H](C)c1nnc(-c2ccsc2)o1 ZINC000050618270 384110295 /nfs/dbraw/zinc/11/02/95/384110295.db2.gz JPLTVNLGUXCRDR-LURJTMIESA-N 1 0 209.274 2.079 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)[C@H]1CCOC1 ZINC000310288819 384116717 /nfs/dbraw/zinc/11/67/17/384116717.db2.gz IBGBMMDGIVYJMS-IGQOVBAYSA-N 1 0 241.375 2.085 10 0 BEAERO C[C@H]1CC[C@@]2(CC[N@H+](CC(C)(C)O)C2)C1 ZINC000336558306 384136027 /nfs/dbraw/zinc/13/60/27/384136027.db2.gz DMVMHFOWNXHLIN-WCQYABFASA-N 1 0 211.349 2.269 10 0 BEAERO [NH3+]Cc1cncc(-c2ccc(F)c(F)c2)c1 ZINC000091351613 384120746 /nfs/dbraw/zinc/12/07/46/384120746.db2.gz PQFPFBPLEWYQCE-UHFFFAOYSA-N 1 0 220.222 2.486 10 0 BEAERO C[NH+](C)C[C@@H]1CCCC[C@]1(O)c1cccc(O)c1 ZINC000005958019 384140712 /nfs/dbraw/zinc/14/07/12/384140712.db2.gz UWJUQVWARXYRCG-ZFWWWQNUSA-N 1 0 249.354 2.332 10 0 world BEAERO c1cn2c(n1)[C@@H](C1CCCC1)[NH2+]CCC2 ZINC000257196337 384145029 /nfs/dbraw/zinc/14/50/29/384145029.db2.gz YAPYVPQZPIXNLJ-LLVKDONJSA-N 1 0 205.305 2.108 10 0 BEAERO Nc1[nH]cc(-c2cc(Br)cs2)[nH+]1 ZINC000071558602 384172042 /nfs/dbraw/zinc/17/20/42/384172042.db2.gz VULUTBYUIDBZRR-UHFFFAOYSA-N 1 0 244.117 2.483 10 0 BEAERO CCc1ccccc1O[C@H](C)C1=[NH+]CCN1 ZINC000027712342 384164477 /nfs/dbraw/zinc/16/44/77/384164477.db2.gz RUFDXBQFEDFKDE-SNVBAGLBSA-N 1 0 218.300 2.018 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CO1 ZINC000401866148 384165913 /nfs/dbraw/zinc/16/59/13/384165913.db2.gz VIIBIVXSHDFTDV-NTZNESFSSA-N 1 0 233.311 2.277 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(F)cn1 ZINC000092196581 384167944 /nfs/dbraw/zinc/16/79/44/384167944.db2.gz FXGJJSAMNALPFM-YGOYTEALSA-N 1 0 224.279 2.049 10 0 BEAERO COc1cc(Cl)c(C[NH3+])cc1Cl ZINC000071509921 384169961 /nfs/dbraw/zinc/16/99/61/384169961.db2.gz LCKOKZGYAQGXIE-UHFFFAOYSA-N 1 0 206.072 2.461 10 0 BEAERO C[C@H](C[NH3+])Cc1c[nH]c2ccc(F)cc12 ZINC000097442061 384207707 /nfs/dbraw/zinc/20/77/07/384207707.db2.gz NLRRJAHVVQTEBE-QMMMGPOBSA-N 1 0 206.264 2.444 10 0 BEAERO C[C@@H](CC[NH2+]C1CCCCCC1)[S@](C)=O ZINC000132588650 384195074 /nfs/dbraw/zinc/19/50/74/384195074.db2.gz ROIDNYDXEOEWLM-XHDPSFHLSA-N 1 0 231.405 2.456 10 0 BEAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CCN(C)C1 ZINC000042544788 384230437 /nfs/dbraw/zinc/23/04/37/384230437.db2.gz YTZGWYJAGBGQIG-FRRDWIJNSA-N 1 0 212.381 2.495 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1C ZINC000282346695 384240066 /nfs/dbraw/zinc/24/00/66/384240066.db2.gz MNAOXMJPAFDQRU-GXTWGEPZSA-N 1 0 246.354 2.060 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2cncs2)C[C@H](C)O1 ZINC000282355663 384256875 /nfs/dbraw/zinc/25/68/75/384256875.db2.gz VUQHZEZBZODLOU-UWVGGRQHSA-N 1 0 240.372 2.436 10 0 BEAERO Cc1c(C[NH2+]CCC2=CCCC2)cnn1C ZINC000119323090 384258841 /nfs/dbraw/zinc/25/88/41/384258841.db2.gz ARKXRMRXDLOEHS-UHFFFAOYSA-N 1 0 219.332 2.319 10 0 BEAERO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[NH2+]2 ZINC000000005296 384262026 /nfs/dbraw/zinc/26/20/26/384262026.db2.gz DXESFJJJWBHLJX-CUOATXAZSA-N 1 0 217.312 2.204 10 0 BEAERO Cc1nnc(SC[C@H]2CCCC[NH2+]2)s1 ZINC000043495424 384278465 /nfs/dbraw/zinc/27/84/65/384278465.db2.gz PXTSRCHAJHIMEL-MRVPVSSYSA-N 1 0 229.374 2.081 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1ccc(C)o1 ZINC000119403086 384266826 /nfs/dbraw/zinc/26/68/26/384266826.db2.gz XDRUIHBRHAIEKF-LBPRGKRZSA-N 1 0 211.305 2.181 10 0 BEAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccc1 ZINC000119577620 384286692 /nfs/dbraw/zinc/28/66/92/384286692.db2.gz SNZHWGMDISSCPX-UONOGXRCSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1ccnc(N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000043561767 384286840 /nfs/dbraw/zinc/28/68/40/384286840.db2.gz ARNYPIIGCUGXJG-QWRGUYRKSA-N 1 0 205.305 2.072 10 0 BEAERO Cc1ccnc(N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000043561766 384286996 /nfs/dbraw/zinc/28/69/96/384286996.db2.gz ARNYPIIGCUGXJG-WDEREUQCSA-N 1 0 205.305 2.072 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cccs1 ZINC000282498948 384298032 /nfs/dbraw/zinc/29/80/32/384298032.db2.gz YADXDOIWVNXOSI-UTLUCORTSA-N 1 0 238.356 2.066 10 0 BEAERO Clc1nc2ccccc2nc1O[C@@H]1CC[NH2+]C1 ZINC000095070464 384337205 /nfs/dbraw/zinc/33/72/05/384337205.db2.gz UAYIXZXNPYSERP-MRVPVSSYSA-N 1 0 249.701 2.024 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000134173129 384337797 /nfs/dbraw/zinc/33/77/97/384337797.db2.gz YABKHABTKUMMPW-VWYCJHECSA-N 1 0 225.307 2.493 10 0 BEAERO CN(C[C@H]1CC[NH2+]C1)c1nsc2ccccc21 ZINC000095071271 384341715 /nfs/dbraw/zinc/34/17/15/384341715.db2.gz UMXCXUBMZHTQSZ-JTQLQIEISA-N 1 0 247.367 2.342 10 0 BEAERO CC1(C)[C@@H]([NH2+]CCC2CC2)[C@@H]2CCO[C@@H]21 ZINC000083893965 384342350 /nfs/dbraw/zinc/34/23/50/384342350.db2.gz SXRDSXIDZBOEAG-SRVKXCTJSA-N 1 0 209.333 2.190 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000335579858 384342425 /nfs/dbraw/zinc/34/24/25/384342425.db2.gz JLDGYTNVSDENBA-WCQYABFASA-N 1 0 241.338 2.196 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1NCc1ccc(Cl)nc1 ZINC000095072272 384343344 /nfs/dbraw/zinc/34/33/44/384343344.db2.gz CFFROILXKPQEOQ-QWRGUYRKSA-N 1 0 239.750 2.095 10 0 BEAERO c1ccc2c(c1)CN(C[C@H]1CCC[NH2+]1)N=N2 ZINC000095079757 384358852 /nfs/dbraw/zinc/35/88/52/384358852.db2.gz YKQYZTLTYVJIHB-LLVKDONJSA-N 1 0 216.288 2.253 10 0 BEAERO c1ccc2c(c1)CN(C1CC[NH2+]CC1)N=N2 ZINC000095082245 384359186 /nfs/dbraw/zinc/35/91/86/384359186.db2.gz MUBKJBHIBMHLGU-UHFFFAOYSA-N 1 0 216.288 2.253 10 0 BEAERO c1ncc(COCC[C@@H]2CCC[NH2+]C2)s1 ZINC000095092492 384360128 /nfs/dbraw/zinc/36/01/28/384360128.db2.gz XZFKSDDFBZADFX-JTQLQIEISA-N 1 0 226.345 2.049 10 0 BEAERO CC1(C)[C@H]([NH2+][C@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000084066981 384362058 /nfs/dbraw/zinc/36/20/58/384362058.db2.gz HWWVCZSOBVLAKT-RVMXOQNASA-N 1 0 221.344 2.498 10 0 BEAERO Cn1c[n+](-c2ccccc2)c2ccccc21 ZINC000095093174 384362594 /nfs/dbraw/zinc/36/25/94/384362594.db2.gz JUASUHAWNBFTDW-UHFFFAOYSA-N 1 0 209.272 2.455 10 0 BEAERO c1ccc2nc(SC[C@@H]3CCC[NH2+]3)cnc2c1 ZINC000095092718 384363725 /nfs/dbraw/zinc/36/37/25/384363725.db2.gz IZIOZEQDOIGMBQ-JTQLQIEISA-N 1 0 245.351 2.474 10 0 BEAERO CCC[C@H](C(=O)NC[C@@H]1CC=CCC1)[NH+](C)C ZINC000120644718 384365919 /nfs/dbraw/zinc/36/59/19/384365919.db2.gz LGBMFVNTXRWWHD-CHWSQXEVSA-N 1 0 238.375 2.189 10 0 BEAERO Cc1cnc(S[C@H]2CCC[NH2+]C2)nc1Cl ZINC000095068729 384329301 /nfs/dbraw/zinc/32/93/01/384329301.db2.gz DKULFEVFMUADSQ-QMMMGPOBSA-N 1 0 243.763 2.283 10 0 BEAERO c1ccc2nc(S[C@H]3CCC[NH2+]C3)cnc2c1 ZINC000095068072 384331153 /nfs/dbraw/zinc/33/11/53/384331153.db2.gz HESPQQAXFPDIPF-JTQLQIEISA-N 1 0 245.351 2.474 10 0 BEAERO C[C@@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1ccco1 ZINC000095068309 384331191 /nfs/dbraw/zinc/33/11/91/384331191.db2.gz JCBLCHTZHBNZCG-OUAUKWLOSA-N 1 0 208.305 2.200 10 0 BEAERO O=C1NCC[N@H+](C2CCCC2)[C@@H]1c1ccccc1 ZINC000120133841 384331310 /nfs/dbraw/zinc/33/13/10/384331310.db2.gz PYAFIASIUOIBHB-CQSZACIVSA-N 1 0 244.338 2.102 10 0 BEAERO Clc1ccc(SCC2CC[NH2+]CC2)nn1 ZINC000095069989 384334776 /nfs/dbraw/zinc/33/47/76/384334776.db2.gz RIWZEKBXTPHLBA-UHFFFAOYSA-N 1 0 243.763 2.222 10 0 BEAERO CC1CCC(C[NH2+]CC2CC(O)C2)CC1 ZINC000084446878 384397293 /nfs/dbraw/zinc/39/72/93/384397293.db2.gz JXBJEIUVBLFXJZ-UHFFFAOYSA-N 1 0 211.349 2.173 10 0 BEAERO COc1cc(N2CCCC2)[nH+]c2c1NCCC2 ZINC000095908432 384404336 /nfs/dbraw/zinc/40/43/36/384404336.db2.gz XOLNXCDTDFGOGW-UHFFFAOYSA-N 1 0 233.315 2.049 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)o1 ZINC000400528563 384408425 /nfs/dbraw/zinc/40/84/25/384408425.db2.gz GSPWZYLKDNRJAA-NEPJUHHUSA-N 1 0 238.331 2.450 10 0 BEAERO CCC1(NC(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC000095932310 384410720 /nfs/dbraw/zinc/41/07/20/384410720.db2.gz FYMDORPYGXGRNV-UHFFFAOYSA-N 1 0 228.336 2.043 10 0 BEAERO Cc1cc(C(F)(F)F)c(C[NH3+])c(C)n1 ZINC000095642093 384385444 /nfs/dbraw/zinc/38/54/44/384385444.db2.gz DGXKTCFSAIHPDN-UHFFFAOYSA-N 1 0 204.195 2.176 10 0 BEAERO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000120895742 384387291 /nfs/dbraw/zinc/38/72/91/384387291.db2.gz QGNFFFAOPIKKSO-OCCSQVGLSA-N 1 0 246.354 2.001 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccnc1 ZINC000160920446 384445602 /nfs/dbraw/zinc/44/56/02/384445602.db2.gz KPGRJYWKXIZNBH-MRVWCRGKSA-N 1 0 234.343 2.426 10 0 BEAERO CC[C@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000181125512 384449491 /nfs/dbraw/zinc/44/94/91/384449491.db2.gz IYOBUAVUKMWZDR-LBPRGKRZSA-N 1 0 221.348 2.394 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc2c(c1)OCO2 ZINC000135300589 384434838 /nfs/dbraw/zinc/43/48/38/384434838.db2.gz UBSCRJBEUIZFKU-NHCYSSNCSA-N 1 0 249.310 2.243 10 0 BEAERO C[C@H]1C[N@H+](C2CCC(=O)CC2)CC[C@@H]1C ZINC000157265732 384464100 /nfs/dbraw/zinc/46/41/00/384464100.db2.gz UPOIARXMVDAKNS-QWRGUYRKSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000572593363 384479198 /nfs/dbraw/zinc/47/91/98/384479198.db2.gz NSVOIMKQFZLTOY-YIYPIFLZSA-N 1 0 224.392 2.400 10 0 BEAERO [NH3+]Cc1ccc2nc(-c3cscn3)[nH]c2c1 ZINC000096874733 384481970 /nfs/dbraw/zinc/48/19/70/384481970.db2.gz DHMLVZCLYNRNAX-UHFFFAOYSA-N 1 0 230.296 2.145 10 0 BEAERO Cc1ccc([C@@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000044115168 384511428 /nfs/dbraw/zinc/51/14/28/384511428.db2.gz YOLPYJXMHHOIFA-AWEZNQCLSA-N 1 0 219.328 2.433 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc(F)cc1F ZINC000054929547 384513344 /nfs/dbraw/zinc/51/33/44/384513344.db2.gz QBUXSKDXRFSZBY-NWDGAFQWSA-N 1 0 229.270 2.372 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)Oc1cc(F)cc(F)c1 ZINC000054932753 384515422 /nfs/dbraw/zinc/51/54/22/384515422.db2.gz HDFZOHZNBATHTN-RNFRBKRXSA-N 1 0 201.216 2.079 10 0 BEAERO FCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000137427773 384531434 /nfs/dbraw/zinc/53/14/34/384531434.db2.gz YMFFOERCHJEJHF-LLVKDONJSA-N 1 0 211.284 2.296 10 0 BEAERO C[C@H]([NH3+])c1csc([C@@H]2CCSC2)n1 ZINC000258273214 384550891 /nfs/dbraw/zinc/55/08/91/384550891.db2.gz YAHIJISSFQQXMM-NKWVEPMBSA-N 1 0 214.359 2.383 10 0 BEAERO Cc1ccc(N(C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000050004337 384583644 /nfs/dbraw/zinc/58/36/44/384583644.db2.gz QPGVWOBRRNWERI-CYBMUJFWSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccncc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000123771929 384583720 /nfs/dbraw/zinc/58/37/20/384583720.db2.gz WOONCSMNYBZPHR-ZFWWWQNUSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1ccoc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335890805 384566987 /nfs/dbraw/zinc/56/69/87/384566987.db2.gz PNWILLFIONXRNN-ZDUSSCGKSA-N 1 0 234.343 2.258 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)cc1C ZINC000050394560 384620901 /nfs/dbraw/zinc/62/09/01/384620901.db2.gz JQBRJQMSLVJHLI-JSGCOSHPSA-N 1 0 246.354 2.233 10 0 BEAERO Cc1ccc([C@@H]([NH3+])Cn2cccn2)cc1C ZINC000011849790 384624039 /nfs/dbraw/zinc/62/40/39/384624039.db2.gz NYSQGZUATLEELX-ZDUSSCGKSA-N 1 0 215.300 2.200 10 0 BEAERO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1nccs1 ZINC000100248202 384628312 /nfs/dbraw/zinc/62/83/12/384628312.db2.gz RRXGKWBZRILWCZ-BBBLOLIVSA-N 1 0 226.345 2.097 10 0 BEAERO [NH3+]C[C@@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000098095979 384592255 /nfs/dbraw/zinc/59/22/55/384592255.db2.gz DOTRQWHUCQMNQH-RYUDHWBXSA-N 1 0 203.285 2.098 10 0 BEAERO O=C(CCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000050150228 384599006 /nfs/dbraw/zinc/59/90/06/384599006.db2.gz XNOGCRHSVFTNPU-CQSZACIVSA-N 1 0 247.338 2.106 10 0 BEAERO CN(C)[C@H](C[NH3+])c1c[nH]c2c1cccc2Cl ZINC000082329849 384669401 /nfs/dbraw/zinc/66/94/01/384669401.db2.gz FBLOMQBANQAVJI-LLVKDONJSA-N 1 0 237.734 2.383 10 0 BEAERO CC[C@H]([NH3+])CSc1nc(C)cs1 ZINC000081870129 384639468 /nfs/dbraw/zinc/63/94/68/384639468.db2.gz UXULRRMJQBRRGZ-ZETCQYMHSA-N 1 0 202.348 2.281 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000309833019 384653118 /nfs/dbraw/zinc/65/31/18/384653118.db2.gz ZDFMFUSBQGGSCV-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO Cc1cc2c3c(n(C)c2c(C)c1)CC[NH2+]C3 ZINC000034983284 384679052 /nfs/dbraw/zinc/67/90/52/384679052.db2.gz ZUKCTJNEMKOMRM-UHFFFAOYSA-N 1 0 214.312 2.441 10 0 BEAERO Cc1ccc(C[N@H+](C)C[C@@H]2CCOC2)o1 ZINC000047706483 384694332 /nfs/dbraw/zinc/69/43/32/384694332.db2.gz MLWNFXUHNSLSJU-NSHDSACASA-N 1 0 209.289 2.056 10 0 BEAERO Cc1nc([C@H]2CCSC2)sc1C[NH3+] ZINC000258925265 384695164 /nfs/dbraw/zinc/69/51/64/384695164.db2.gz QBFBDWFUIAXQSC-ZETCQYMHSA-N 1 0 214.359 2.131 10 0 BEAERO [NH3+]Cc1cncc(-c2cccc(F)c2)c1 ZINC000082639060 384698861 /nfs/dbraw/zinc/69/88/61/384698861.db2.gz BZQLESLKUZPRNK-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO CCOCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404603 384703646 /nfs/dbraw/zinc/70/36/46/384703646.db2.gz ZWMBJZWBKAVPCN-NSHDSACASA-N 1 0 209.289 2.453 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1Nc1cnc2ccccc2n1 ZINC000052017829 384709683 /nfs/dbraw/zinc/70/96/83/384709683.db2.gz YRZBEZNTCNWSDH-GHMZBOCLSA-N 1 0 242.326 2.312 10 0 BEAERO Cc1ccc(C[N@H+](C)C[C@@H]2CCCO2)o1 ZINC000102671608 384720503 /nfs/dbraw/zinc/72/05/03/384720503.db2.gz TUEQGFBOXUKZRV-NSHDSACASA-N 1 0 209.289 2.199 10 0 BEAERO COc1cc(C)nc(C[NH2+]CC(C)C)c1 ZINC000125952588 384721687 /nfs/dbraw/zinc/72/16/87/384721687.db2.gz AUCSKAAYTPHDMT-UHFFFAOYSA-N 1 0 208.305 2.144 10 0 BEAERO C[C@H]1Sc2c(c(F)ccc2F)[C@H]1[NH3+] ZINC000043636170 384728738 /nfs/dbraw/zinc/72/87/38/384728738.db2.gz ZPWJGQHUSPVZDI-VHWMUFPASA-N 1 0 201.241 2.459 10 0 BEAERO COCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309947105 384731713 /nfs/dbraw/zinc/73/17/13/384731713.db2.gz DTPUEWKGZYRBOK-RVMXOQNASA-N 1 0 229.364 2.205 10 0 BEAERO CC[C@@H]([NH2+]CCc1ccnn1C)C(C)(C)C ZINC000309938031 384735428 /nfs/dbraw/zinc/73/54/28/384735428.db2.gz AMGWOBJYEPNRJB-GFCCVEGCSA-N 1 0 223.364 2.377 10 0 BEAERO COCC[C@H]([NH3+])c1nc2c(cccc2Cl)[nH]1 ZINC000052785271 384745043 /nfs/dbraw/zinc/74/50/43/384745043.db2.gz GCKQGWDNAQYZCH-QMMMGPOBSA-N 1 0 239.706 2.253 10 0 BEAERO Cc1cnc(C[NH2+][C@@H](C)C2CCCC2)cn1 ZINC000061320782 384756255 /nfs/dbraw/zinc/75/62/55/384756255.db2.gz YFXHSXNOBAHPGO-NSHDSACASA-N 1 0 219.332 2.453 10 0 BEAERO Cc1cnc(C[NH2+][C@H](C)C2CCCC2)cn1 ZINC000061320783 384756327 /nfs/dbraw/zinc/75/63/27/384756327.db2.gz YFXHSXNOBAHPGO-LLVKDONJSA-N 1 0 219.332 2.453 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnn(C)c1C ZINC000126277948 384759742 /nfs/dbraw/zinc/75/97/42/384759742.db2.gz MEOFCEJVBWGTEN-CMPLNLGQSA-N 1 0 207.321 2.007 10 0 BEAERO Cc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000163254039 384780088 /nfs/dbraw/zinc/78/00/88/384780088.db2.gz BCVLCIBXPCTKEW-GXFFZTMASA-N 1 0 223.291 2.401 10 0 BEAERO [NH3+]C[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000144779032 384762387 /nfs/dbraw/zinc/76/23/87/384762387.db2.gz CHVUHMKQQVIFMG-MRVPVSSYSA-N 1 0 218.275 2.371 10 0 BEAERO COC1(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)CCCCC1 ZINC000334735997 384770078 /nfs/dbraw/zinc/77/00/78/384770078.db2.gz ZVDGYACZYJXNLT-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO Cc1cccc(N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000335040248 384784792 /nfs/dbraw/zinc/78/47/92/384784792.db2.gz DCXUULIHJWOMAV-RYUDHWBXSA-N 1 0 204.317 2.405 10 0 BEAERO CCOC(=O)c1ccc(NCCCC[NH3+])cc1 ZINC000217803062 384785867 /nfs/dbraw/zinc/78/58/67/384785867.db2.gz JAKLVHQKYRGRNU-UHFFFAOYSA-N 1 0 236.315 2.014 10 0 BEAERO COc1c(C[NH2+][C@@H]2CCC[C@@H]2C)c(C)nn1C ZINC000105504763 384790388 /nfs/dbraw/zinc/79/03/88/384790388.db2.gz LFFKWVCXJQHCRI-JOYOIKCWSA-N 1 0 237.347 2.015 10 0 BEAERO CCCC(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000101564453 384798528 /nfs/dbraw/zinc/79/85/28/384798528.db2.gz WZVUNCJKWVHDAR-ZDUSSCGKSA-N 1 0 238.375 2.333 10 0 BEAERO Cc1noc(C)c1COC1CCC([NH3+])CC1 ZINC000055142801 384871712 /nfs/dbraw/zinc/87/17/12/384871712.db2.gz HFQJRRBYBMSNHB-UHFFFAOYSA-N 1 0 224.304 2.078 10 0 BEAERO CSC[C@H]([NH3+])c1ccc(F)cc1F ZINC000055239255 384876003 /nfs/dbraw/zinc/87/60/03/384876003.db2.gz WXSRJUSRGRZDIG-VIFPVBQESA-N 1 0 203.257 2.328 10 0 BEAERO Cc1ccc(F)c(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000127325176 384881883 /nfs/dbraw/zinc/88/18/83/384881883.db2.gz SEJBHSFJMXYEOD-GWCFXTLKSA-N 1 0 223.291 2.401 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000055421688 384883418 /nfs/dbraw/zinc/88/34/18/384883418.db2.gz SRRIYZVQYYXFMP-SNVBAGLBSA-N 1 0 228.295 2.386 10 0 BEAERO [NH3+]C[C@H](F)Cc1cc(Br)cs1 ZINC000156373192 384847498 /nfs/dbraw/zinc/84/74/98/384847498.db2.gz WXSYHMKQPZFZDQ-ZCFIWIBFSA-N 1 0 238.125 2.350 10 0 BEAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccccn2)cn1 ZINC000104959838 384853924 /nfs/dbraw/zinc/85/39/24/384853924.db2.gz UGEKIWSBSOGUGE-AWEZNQCLSA-N 1 0 242.326 2.152 10 0 BEAERO [NH3+]C[C@H](F)c1occc1Br ZINC000156367232 384854186 /nfs/dbraw/zinc/85/41/86/384854186.db2.gz HMQVAXSCMMPLSI-YFKPBYRVSA-N 1 0 208.030 2.011 10 0 BEAERO C[C@@H]([NH2+]Cc1cncs1)c1ccncc1 ZINC000054770125 384854846 /nfs/dbraw/zinc/85/48/46/384854846.db2.gz AHUNGTDWQMEIPW-SECBINFHSA-N 1 0 219.313 2.389 10 0 BEAERO CCN(C[C@H]([NH3+])CC(C)C)CC(F)(F)F ZINC000042781678 384863079 /nfs/dbraw/zinc/86/30/79/384863079.db2.gz UCDGQSXXPNZVBI-SECBINFHSA-N 1 0 226.286 2.244 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000105437099 384867523 /nfs/dbraw/zinc/86/75/23/384867523.db2.gz XMOMPUVJHGXNEG-MFKMUULPSA-N 1 0 215.296 2.460 10 0 BEAERO OC1CC(C[NH2+]C/C=C/c2ccccc2)C1 ZINC000084449091 384869018 /nfs/dbraw/zinc/86/90/18/384869018.db2.gz IVDXFEZYRRFNAX-QPJJXVBHSA-N 1 0 217.312 2.060 10 0 BEAERO Fc1ccc(Cl)cc1CNC[C@@H]1CC[NH2+]C1 ZINC000258835923 384949022 /nfs/dbraw/zinc/94/90/22/384949022.db2.gz GLPCAEJZSGVWBG-SECBINFHSA-N 1 0 242.725 2.178 10 0 BEAERO Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2CO)n1 ZINC000164268142 384953279 /nfs/dbraw/zinc/95/32/79/384953279.db2.gz WBUPVUASEKFPGM-WDEREUQCSA-N 1 0 240.372 2.092 10 0 BEAERO CC(C)CCC[NH2+][C@@H]1CCCn2ncnc21 ZINC000363860937 384891596 /nfs/dbraw/zinc/89/15/96/384891596.db2.gz YTMPMXWYOQMIMV-LLVKDONJSA-N 1 0 222.336 2.139 10 0 BEAERO CC[NH+](CC)CCNc1cccc(O)c1 ZINC000084950704 384908029 /nfs/dbraw/zinc/90/80/29/384908029.db2.gz MTMXDJWNTVXRHS-UHFFFAOYSA-N 1 0 208.305 2.146 10 0 BEAERO COC1(C[N@@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000361565684 384912371 /nfs/dbraw/zinc/91/23/71/384912371.db2.gz NVNRNYZEUGQCEE-ZDUSSCGKSA-N 1 0 241.375 2.183 10 0 BEAERO CC(C)[C@H](O)CC[NH2+][C@H](C)c1cscn1 ZINC000127871901 384914719 /nfs/dbraw/zinc/91/47/19/384914719.db2.gz LYLQUUNWQQZZMP-MWLCHTKSSA-N 1 0 228.361 2.201 10 0 BEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000156645200 384914898 /nfs/dbraw/zinc/91/48/98/384914898.db2.gz REPYVTZLMUVUFG-ZDUSSCGKSA-N 1 0 219.332 2.066 10 0 BEAERO Clc1ccccc1[C@@H]1CN(C2CC2)CC[NH2+]1 ZINC000056894780 384921754 /nfs/dbraw/zinc/92/17/54/384921754.db2.gz RHXAIMYXICXMJR-ZDUSSCGKSA-N 1 0 236.746 2.449 10 0 BEAERO CO[C@@H](C[N@@H+]1CC[C@@H](CCO)C1)c1ccccc1 ZINC000338547464 384936746 /nfs/dbraw/zinc/93/67/46/384936746.db2.gz ONHRFYFDBRZIMM-ZFWWWQNUSA-N 1 0 249.354 2.078 10 0 BEAERO c1ccc2c(c1)C[C@H](C[NH+]1CCCC1)O2 ZINC000370502719 384971900 /nfs/dbraw/zinc/97/19/00/384971900.db2.gz JDBCCIKAKDEFAT-GFCCVEGCSA-N 1 0 203.285 2.086 10 0 BEAERO CCSCC[NH2+]CC1(N(C)C)CCCC1 ZINC000129079786 384976370 /nfs/dbraw/zinc/97/63/70/384976370.db2.gz RQESIFZCFFJXDF-UHFFFAOYSA-N 1 0 230.421 2.204 10 0 BEAERO C[NH+](C)C1(COc2ccc(Cl)nc2)CC1 ZINC000029126779 384983416 /nfs/dbraw/zinc/98/34/16/384983416.db2.gz VZIBYNBTDJTHCD-UHFFFAOYSA-N 1 0 226.707 2.208 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2cc(C)ns2)C1 ZINC000404424419 384990978 /nfs/dbraw/zinc/99/09/78/384990978.db2.gz WZICHOFVRDZSOV-NSHDSACASA-N 1 0 239.388 2.025 10 0 BEAERO C[C@H](CCC[NH3+])Nc1nc2ccccc2n1C ZINC000310350671 384994045 /nfs/dbraw/zinc/99/40/45/384994045.db2.gz PEDPPLQHZJTSKH-SNVBAGLBSA-N 1 0 232.331 2.113 10 0 BEAERO C[NH2+][C@@H]1CCCC[C@H]1N1CCCCCC1 ZINC000034213098 384998887 /nfs/dbraw/zinc/99/88/87/384998887.db2.gz BEMPWQCHZZFCMS-CHWSQXEVSA-N 1 0 210.365 2.393 10 0 BEAERO Cc1cc(C)cc(N(C)C(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000164482387 384999303 /nfs/dbraw/zinc/99/93/03/384999303.db2.gz LELKEMYDMQHUOM-GFCCVEGCSA-N 1 0 246.354 2.122 10 0 BEAERO Cc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)sn1 ZINC000404460021 385002200 /nfs/dbraw/zinc/00/22/00/385002200.db2.gz NVEMVUVAMIJHEJ-MWLCHTKSSA-N 1 0 226.345 2.109 10 0 BEAERO CC[N@H+](CCC(C)=O)Cc1ccc(OC)cc1 ZINC000128155440 385003090 /nfs/dbraw/zinc/00/30/90/385003090.db2.gz DPNPRWVMSRIBLI-UHFFFAOYSA-N 1 0 235.327 2.496 10 0 BEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339515305 385011436 /nfs/dbraw/zinc/01/14/36/385011436.db2.gz KLEGBFHLULVPLV-MNOVXSKESA-N 1 0 226.364 2.068 10 0 BEAERO CC(C)CCNC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339515142 385011679 /nfs/dbraw/zinc/01/16/79/385011679.db2.gz ZCRYNZLXZFCRML-LBPRGKRZSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@H](C)CO ZINC000128687959 384962032 /nfs/dbraw/zinc/96/20/32/384962032.db2.gz JUOIJOCNBGFOMW-UTUOFQBUSA-N 1 0 207.317 2.354 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262742137 385082770 /nfs/dbraw/zinc/08/27/70/385082770.db2.gz JBFCCIZETKGCIT-FRRDWIJNSA-N 1 0 240.391 2.397 10 0 BEAERO Cc1c[nH]c(C[N@H+]2CCCC[C@H]2C)c(C)c1=O ZINC000058823350 385024899 /nfs/dbraw/zinc/02/48/99/385024899.db2.gz WYIVTNVEIOLUON-LLVKDONJSA-N 1 0 234.343 2.366 10 0 BEAERO Cc1c[nH]c(C[NH+]2CCC(C)CC2)c(C)c1=O ZINC000058823373 385025007 /nfs/dbraw/zinc/02/50/07/385025007.db2.gz AZVOVTLIVXDRKJ-UHFFFAOYSA-N 1 0 234.343 2.224 10 0 BEAERO C[Si](C)(C)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000377272570 385029336 /nfs/dbraw/zinc/02/93/36/385029336.db2.gz DYIHTOKEPIQDGV-WDEREUQCSA-N 1 0 213.397 2.021 10 0 BEAERO COC1(CC[N@@H+]2CCC[C@H]2CCCO)CCC1 ZINC000310474501 385086033 /nfs/dbraw/zinc/08/60/33/385086033.db2.gz JRHKRAGBHRVBTO-ZDUSSCGKSA-N 1 0 241.375 2.183 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccnn1CC ZINC000119429462 385095076 /nfs/dbraw/zinc/09/50/76/385095076.db2.gz XWTMJWYAHOBHMO-JQWIXIFHSA-N 1 0 207.321 2.181 10 0 BEAERO Cc1cncc(C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000189869621 385192146 /nfs/dbraw/zinc/19/21/46/385192146.db2.gz AYMSGJKCGRWLHG-NSHDSACASA-N 1 0 222.357 2.327 10 0 BEAERO C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCCO1 ZINC000109836427 385192938 /nfs/dbraw/zinc/19/29/38/385192938.db2.gz CTECYAVGPKOXQG-CQSZACIVSA-N 1 0 247.338 2.232 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)o1 ZINC000119875477 385175805 /nfs/dbraw/zinc/17/58/05/385175805.db2.gz MFRQYIAOTVKKAT-AXFHLTTASA-N 1 0 209.289 2.416 10 0 BEAERO CC[C@H](C)c1csc(N2CC[NH2+]CC2)n1 ZINC000044494159 385211096 /nfs/dbraw/zinc/21/10/96/385211096.db2.gz QSJBMAYCZNCEHS-VIFPVBQESA-N 1 0 225.361 2.066 10 0 BEAERO CCOC[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000044688731 385217399 /nfs/dbraw/zinc/21/73/99/385217399.db2.gz WIMVCRJRCHVJAW-WDEREUQCSA-N 1 0 208.305 2.157 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)[C@@H]1C ZINC000308878194 385233136 /nfs/dbraw/zinc/23/31/36/385233136.db2.gz CDHWNWYIGSQPQX-BNDIWNMDSA-N 1 0 211.349 2.172 10 0 BEAERO CCC[C@H](C)C[NH2+]C1CCN(C(C)=O)CC1 ZINC000037138304 385247072 /nfs/dbraw/zinc/24/70/72/385247072.db2.gz JGKAPCJSGZJZHR-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)C(C)(C)C ZINC000308937077 385305014 /nfs/dbraw/zinc/30/50/14/385305014.db2.gz LEAGGLNJPPQCJC-HTQZYQBOSA-N 1 0 227.270 2.324 10 0 BEAERO CCC[C@H](C)[NH2+][C@H](CC)[C@@H](O)C(F)(F)F ZINC000308969222 385320982 /nfs/dbraw/zinc/32/09/82/385320982.db2.gz YAGJBYJWUYTMFQ-DJLDLDEBSA-N 1 0 227.270 2.466 10 0 BEAERO CCC[C@H](C)[NH2+][C@H](CC)[C@H](O)C(F)(F)F ZINC000308969224 385321185 /nfs/dbraw/zinc/32/11/85/385321185.db2.gz YAGJBYJWUYTMFQ-YIZRAAEISA-N 1 0 227.270 2.466 10 0 BEAERO CCc1cc(N[C@H]2CCO[C@H]2C)cc[nH+]1 ZINC000307766709 385259695 /nfs/dbraw/zinc/25/96/95/385259695.db2.gz FOQLUIPAYLNWMO-CABZTGNLSA-N 1 0 206.289 2.233 10 0 BEAERO [NH3+][C@@H]1[C@H](O)c2ccccc2[C@@H]2CCCC[C@H]21 ZINC000238607546 385261001 /nfs/dbraw/zinc/26/10/01/385261001.db2.gz ODVVAFUODGOJKC-PCGAWMICSA-N 1 0 217.312 2.335 10 0 BEAERO CCC[C@@](C)([NH3+])C(=O)NCCC1CCCC1 ZINC000037740144 385274358 /nfs/dbraw/zinc/27/43/58/385274358.db2.gz HSYBVQAGWHIURL-CYBMUJFWSA-N 1 0 226.364 2.200 10 0 BEAERO CSCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000157798288 385281676 /nfs/dbraw/zinc/28/16/76/385281676.db2.gz YWHGKLPVQQPMAZ-NWDGAFQWSA-N 1 0 229.389 2.383 10 0 BEAERO COc1ccc([C@@H](C)C[NH2+]C[C@@H](C)OC)cc1 ZINC000191147473 385287297 /nfs/dbraw/zinc/28/72/97/385287297.db2.gz NUFGBVHFCAIVRE-NWDGAFQWSA-N 1 0 237.343 2.423 10 0 BEAERO C[C@@H](F)CC[NH2+]C1(C2CC2)CCOCC1 ZINC000309006583 385357590 /nfs/dbraw/zinc/35/75/90/385357590.db2.gz QASLUGUFBGEZDS-SNVBAGLBSA-N 1 0 215.312 2.283 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289746535 385358130 /nfs/dbraw/zinc/35/81/30/385358130.db2.gz PRBVRDURQWBZDJ-FXPVBKGRSA-N 1 0 240.372 2.475 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1c(Cl)cnn1C ZINC000131926139 385368852 /nfs/dbraw/zinc/36/88/52/385368852.db2.gz JVRGLZKJDGOSMQ-WPRPVWTQSA-N 1 0 227.739 2.352 10 0 BEAERO CCC[C@H](C(=O)N[C@H](C)C1CCCC1)[NH+](C)C ZINC000179326797 385374419 /nfs/dbraw/zinc/37/44/19/385374419.db2.gz GRAHJBKLJOGPOR-DGCLKSJQSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309060376 385396389 /nfs/dbraw/zinc/39/63/89/385396389.db2.gz WDUBZPNCTXYKJU-NNYUYHANSA-N 1 0 217.328 2.264 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ccncc1Cl ZINC000165755497 385415253 /nfs/dbraw/zinc/41/52/53/385415253.db2.gz FMFBWLHKVYPAJU-YUMQZZPRSA-N 1 0 213.712 2.273 10 0 BEAERO CCc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170863466 385451257 /nfs/dbraw/zinc/45/12/57/385451257.db2.gz MYUXNPQQRMHROI-CQSZACIVSA-N 1 0 246.354 2.025 10 0 BEAERO Cc1cc(C)cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000281860663 385453598 /nfs/dbraw/zinc/45/35/98/385453598.db2.gz ALEAPZYULQRFCB-OCCSQVGLSA-N 1 0 246.354 2.060 10 0 BEAERO C[C@@H](O)CN1CCCC[C@@H]1c1nccs1 ZINC000194952316 385453971 /nfs/dbraw/zinc/45/39/71/385453971.db2.gz UJEQSUNLAJMXKO-NXEZZACHSA-N 1 0 226.345 2.051 10 0 BEAERO Cc1ccncc1CCC[NH2+][C@@H]1C[C@H]1C ZINC000309139662 385433164 /nfs/dbraw/zinc/43/31/64/385433164.db2.gz STKTVSXPIOPULS-DGCLKSJQSA-N 1 0 204.317 2.321 10 0 BEAERO CC[C@@H]([NH3+])CNc1nc(C)cc(C(C)C)n1 ZINC000156889498 385472094 /nfs/dbraw/zinc/47/20/94/385472094.db2.gz IKJJYPGUEPZVHA-SNVBAGLBSA-N 1 0 222.336 2.058 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc(C)nc1 ZINC000309186504 385459268 /nfs/dbraw/zinc/45/92/68/385459268.db2.gz OYEPDPUPELZYEN-NWDGAFQWSA-N 1 0 205.305 2.063 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C)n1CC ZINC000183037703 385501277 /nfs/dbraw/zinc/50/12/77/385501277.db2.gz JCSIIQNCRJHGMY-ZJUUUORDSA-N 1 0 224.352 2.131 10 0 BEAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C)n1CC ZINC000183037665 385502314 /nfs/dbraw/zinc/50/23/14/385502314.db2.gz JCSIIQNCRJHGMY-NXEZZACHSA-N 1 0 224.352 2.131 10 0 BEAERO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106429668 385510846 /nfs/dbraw/zinc/51/08/46/385510846.db2.gz PNYDEBVYGBFHKK-AWEZNQCLSA-N 1 0 248.370 2.028 10 0 BEAERO OC[C@H]1C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000257946657 385513789 /nfs/dbraw/zinc/51/37/89/385513789.db2.gz LOUBOAXENYADHJ-KCJUWKMLSA-N 1 0 245.244 2.348 10 0 BEAERO Cn1cc([C@@H]2CCC[N@@H+]2C[Si](C)(C)C)cn1 ZINC000171741037 385514118 /nfs/dbraw/zinc/51/41/18/385514118.db2.gz RYCGNSTVGUBFBY-LBPRGKRZSA-N 1 0 237.423 2.434 10 0 BEAERO OC[C@H]1C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000257946661 385514541 /nfs/dbraw/zinc/51/45/41/385514541.db2.gz LOUBOAXENYADHJ-LDYMZIIASA-N 1 0 245.244 2.348 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccs1 ZINC000180601604 385533048 /nfs/dbraw/zinc/53/30/48/385533048.db2.gz XKJLHACUNOMCBC-ZJUUUORDSA-N 1 0 248.355 2.005 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccs1 ZINC000180601551 385533089 /nfs/dbraw/zinc/53/30/89/385533089.db2.gz XKJLHACUNOMCBC-VHSXEESVSA-N 1 0 248.355 2.005 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000036779509 385534950 /nfs/dbraw/zinc/53/49/50/385534950.db2.gz OTYWOVALXLHKNO-NXEZZACHSA-N 1 0 249.232 2.356 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN1CCN(C)c2ccccc21 ZINC000111464553 385535368 /nfs/dbraw/zinc/53/53/68/385535368.db2.gz BQARKSCJZUKIII-CYBMUJFWSA-N 1 0 247.386 2.316 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCCOC(C)C)o1 ZINC000309347124 385546536 /nfs/dbraw/zinc/54/65/36/385546536.db2.gz LZHSNEMIZNHMNQ-NSHDSACASA-N 1 0 226.320 2.449 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(C)(C)OC)C1(C)C ZINC000309411644 385574243 /nfs/dbraw/zinc/57/42/43/385574243.db2.gz BWROCSUQLHXHHV-OUAUKWLOSA-N 1 0 229.364 2.061 10 0 BEAERO CC(C)CCOCC[N@H+](C[C@H](C)O)C(C)C ZINC000107050140 385550768 /nfs/dbraw/zinc/55/07/68/385550768.db2.gz DMFVZCHYVVJTCB-ZDUSSCGKSA-N 1 0 231.380 2.140 10 0 BEAERO Cc1csc2c1CN(CC[NH2+]C(C)C)CC2 ZINC000309398232 385563011 /nfs/dbraw/zinc/56/30/11/385563011.db2.gz VUZNBPOQTQQUTL-UHFFFAOYSA-N 1 0 238.400 2.413 10 0 BEAERO CC[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000181131096 385565384 /nfs/dbraw/zinc/56/53/84/385565384.db2.gz BEAGOYFZLKJDCJ-MNOVXSKESA-N 1 0 207.321 2.008 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000037164322 385597812 /nfs/dbraw/zinc/59/78/12/385597812.db2.gz PLQDWJFDJVJENU-NEPJUHHUSA-N 1 0 241.281 2.358 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cn(C(C)C)nn1 ZINC000309443334 385583726 /nfs/dbraw/zinc/58/37/26/385583726.db2.gz ZZTMXANBMZXFAP-PWSUYJOCSA-N 1 0 222.336 2.137 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CC(F)(F)C2)C1(C)C ZINC000309444189 385584251 /nfs/dbraw/zinc/58/42/51/385584251.db2.gz JHPIDRJIWNSETF-FXBDTBDDSA-N 1 0 233.302 2.433 10 0 BEAERO CCCC(CCC)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309461099 385591547 /nfs/dbraw/zinc/59/15/47/385591547.db2.gz NWIGSYYGIFWFAF-PWSUYJOCSA-N 1 0 226.364 2.212 10 0 BEAERO COC(=O)[C@H](C)C[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000251097109 385616098 /nfs/dbraw/zinc/61/60/98/385616098.db2.gz LTZBZLFFGSKCOU-DGCLKSJQSA-N 1 0 247.338 2.067 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000336678118 385617043 /nfs/dbraw/zinc/61/70/43/385617043.db2.gz CGBDVRLGXPZJGF-WDEREUQCSA-N 1 0 226.364 2.056 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CC[C@H]2CCOC2)o1 ZINC000309504495 385641425 /nfs/dbraw/zinc/64/14/25/385641425.db2.gz VOBLDXDPGWCTPR-MNOVXSKESA-N 1 0 224.304 2.060 10 0 BEAERO CN(CC(=O)NC(C)(C)C)Cc1cccs1 ZINC000041392614 385663088 /nfs/dbraw/zinc/66/30/88/385663088.db2.gz YPJXUSOOGRWROT-UHFFFAOYSA-N 1 0 240.372 2.095 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCOCCOC ZINC000336735337 385694400 /nfs/dbraw/zinc/69/44/00/385694400.db2.gz LRNKVXOFANYSQZ-STQMWFEESA-N 1 0 229.364 2.208 10 0 BEAERO Cc1ccncc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000230088838 385705879 /nfs/dbraw/zinc/70/58/79/385705879.db2.gz KSOSAWXVJLCLER-JSGCOSHPSA-N 1 0 234.343 2.031 10 0 BEAERO CCC(CC)(CC)C[NH2+]C[C@@H](C)NC ZINC000391342850 385714107 /nfs/dbraw/zinc/71/41/07/385714107.db2.gz SGOSNXFRHYYCPU-LLVKDONJSA-N 1 0 200.370 2.400 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000052395689 385731941 /nfs/dbraw/zinc/73/19/41/385731941.db2.gz BALNFLLNRJMQGH-BDAKNGLRSA-N 1 0 240.734 2.125 10 0 BEAERO C[C@H](CC[NH2+]CC1CC1)NC(=O)OC(C)(C)C ZINC000222077433 385740030 /nfs/dbraw/zinc/74/00/30/385740030.db2.gz CTFQIPHWGNKXRR-SNVBAGLBSA-N 1 0 242.363 2.289 10 0 BEAERO CC/C=C/CC[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186384978 385759834 /nfs/dbraw/zinc/75/98/34/385759834.db2.gz JSWFXBSFQNPJGP-URWSZGRFSA-N 1 0 225.332 2.370 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCCCF)o1 ZINC000336701645 385766685 /nfs/dbraw/zinc/76/66/85/385766685.db2.gz YKCQRLRFUZIEBJ-SECBINFHSA-N 1 0 200.257 2.383 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336707300 385791307 /nfs/dbraw/zinc/79/13/07/385791307.db2.gz RRRVNZDCJNGZDZ-LURQLKTLSA-N 1 0 223.238 2.094 10 0 BEAERO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cncs1 ZINC000123589984 385890956 /nfs/dbraw/zinc/89/09/56/385890956.db2.gz TUXOTGHOWATMMJ-ZJUUUORDSA-N 1 0 228.361 2.201 10 0 BEAERO C[C@H](Cn1cccn1)[NH2+]CCC1=CCCC1 ZINC000123233109 385864737 /nfs/dbraw/zinc/86/47/37/385864737.db2.gz QGVZJBOPYFMUJA-GFCCVEGCSA-N 1 0 219.332 2.362 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@H](C)CO)cc1 ZINC000123196488 385867041 /nfs/dbraw/zinc/86/70/41/385867041.db2.gz VEQZTFJCUBNMFV-VXGBXAGGSA-N 1 0 207.317 2.102 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCSC2)C12CCC2 ZINC000336769677 385987715 /nfs/dbraw/zinc/98/77/15/385987715.db2.gz SGCYTUXIAJVJMI-WISYIIOYSA-N 1 0 241.400 2.285 10 0 BEAERO C/C=C/[C@@H]([NH3+])c1nscc1Br ZINC000575544337 385964338 /nfs/dbraw/zinc/96/43/38/385964338.db2.gz DFRPNZMLBUWANP-YRFDSLTASA-N 1 0 233.134 2.482 10 0 BEAERO COC(=O)[C@H]1CCC[N@@H+](C(C)(C)C)CC1 ZINC000261000733 386001461 /nfs/dbraw/zinc/00/14/61/386001461.db2.gz SQPJSUXAZXDLJO-JTQLQIEISA-N 1 0 213.321 2.060 10 0 BEAERO FC(F)c1nnc(NC[C@@H]2CCCC[NH2+]2)s1 ZINC000309435120 386010734 /nfs/dbraw/zinc/01/07/34/386010734.db2.gz MPIBKGBFGCRXNG-LURJTMIESA-N 1 0 248.302 2.030 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1nccn1C ZINC000336738558 386106781 /nfs/dbraw/zinc/10/67/81/386106781.db2.gz OIZBZTITDNFVPZ-NWDGAFQWSA-N 1 0 221.348 2.479 10 0 BEAERO C[C@H]([NH3+])Cc1nc2c(s1)CCCCC2 ZINC000054160875 386113919 /nfs/dbraw/zinc/11/39/19/386113919.db2.gz JVQDNNXNACNUBV-QMMMGPOBSA-N 1 0 210.346 2.302 10 0 BEAERO CC(C)([NH3+])c1cn(CCC2CCCCC2)nn1 ZINC000310077503 386077866 /nfs/dbraw/zinc/07/78/66/386077866.db2.gz XAFDIHCCCLMIFV-UHFFFAOYSA-N 1 0 236.363 2.442 10 0 BEAERO [NH3+]CCCn1cc(-c2ccc(F)c(F)c2)cn1 ZINC000310079543 386078467 /nfs/dbraw/zinc/07/84/67/386078467.db2.gz IEKIOXHXDQHFPH-UHFFFAOYSA-N 1 0 237.253 2.177 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)CC(C)C)c1 ZINC000124550787 386093342 /nfs/dbraw/zinc/09/33/42/386093342.db2.gz XMTAWLGULFPBSP-GFCCVEGCSA-N 1 0 209.337 2.216 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC2CCCCC2)C1 ZINC000055087230 386153751 /nfs/dbraw/zinc/15/37/51/386153751.db2.gz FWJDSGYQAKEHTF-OLZOCXBDSA-N 1 0 238.375 2.200 10 0 BEAERO Cc1cc(C)c(CN2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000054374569 386125065 /nfs/dbraw/zinc/12/50/65/386125065.db2.gz CYZPRZBLZJNIOW-CQSZACIVSA-N 1 0 232.371 2.406 10 0 BEAERO c1nnc([C@@H]2CCC[NH2+]C2)n1C1CCCCC1 ZINC000054526625 386127395 /nfs/dbraw/zinc/12/73/95/386127395.db2.gz JOKUQZYDCWYUJS-LLVKDONJSA-N 1 0 234.347 2.250 10 0 BEAERO Cc1cc(CN[C@H](CC(C)C)C[NH+](C)C)on1 ZINC000310547258 386200871 /nfs/dbraw/zinc/20/08/71/386200871.db2.gz SSURDYQFFLKWLA-GFCCVEGCSA-N 1 0 239.363 2.049 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C)C[C@H]2C)o1 ZINC000336742545 386200931 /nfs/dbraw/zinc/20/09/31/386200931.db2.gz OIXYXLXDKOOEFH-USWWRNFRSA-N 1 0 222.332 2.189 10 0 BEAERO CC(C)[N@H+](C[C@H](C)O)C[C@@H]1Cc2ccccc21 ZINC000347062278 386208896 /nfs/dbraw/zinc/20/88/96/386208896.db2.gz VBNZAVVPOZVUSF-JSGCOSHPSA-N 1 0 233.355 2.418 10 0 BEAERO C[C@H](CC[NH2+]C[C@H]1CC=CCC1)[S@](C)=O ZINC000125039465 386215685 /nfs/dbraw/zinc/21/56/85/386215685.db2.gz CVDXFXMAGSTTOR-TYNCELHUSA-N 1 0 229.389 2.089 10 0 BEAERO CC(C)c1ccc(CCC(=O)NCCC[NH3+])cc1 ZINC000057537242 386259827 /nfs/dbraw/zinc/25/98/27/386259827.db2.gz PLIHFRIDLPDBKI-UHFFFAOYSA-N 1 0 248.370 2.208 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)C1CCCC1 ZINC000164787865 386298385 /nfs/dbraw/zinc/29/83/85/386298385.db2.gz YPFCJDTZJWGBEP-JQWIXIFHSA-N 1 0 234.347 2.281 10 0 BEAERO Cc1c(CNc2ccc3c([nH+]2)CCC3)cnn1C ZINC000226427284 386304154 /nfs/dbraw/zinc/30/41/54/386304154.db2.gz DJPUDDDDMQXVOW-UHFFFAOYSA-N 1 0 242.326 2.224 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000125764263 386311025 /nfs/dbraw/zinc/31/10/25/386311025.db2.gz GGVRADGHKUAEPL-VHSXEESVSA-N 1 0 227.735 2.447 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCn1cccn1 ZINC000336743288 386364838 /nfs/dbraw/zinc/36/48/38/386364838.db2.gz TTXHBUJBWLSEEM-CHWSQXEVSA-N 1 0 221.348 2.442 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366344860 386378036 /nfs/dbraw/zinc/37/80/36/386378036.db2.gz GHBKJDLETQDCFW-SCRDCRAPSA-N 1 0 238.375 2.295 10 0 BEAERO CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366344217 386378083 /nfs/dbraw/zinc/37/80/83/386378083.db2.gz FFARPEPLDYMTHL-SDDRHHMPSA-N 1 0 238.375 2.151 10 0 BEAERO CCSCC[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000336754458 386438914 /nfs/dbraw/zinc/43/89/14/386438914.db2.gz HJTPYBVSOAEOBD-NWDGAFQWSA-N 1 0 231.405 2.390 10 0 BEAERO COc1ccc([C@H]([NH3+])CF)c(Br)c1 ZINC000521401016 386448959 /nfs/dbraw/zinc/44/89/59/386448959.db2.gz VIJSKJWREVRBBK-SECBINFHSA-N 1 0 248.095 2.427 10 0 BEAERO CC1(C)CCC(C)(C)C1([NH3+])c1ncc[nH]1 ZINC000521400856 386450798 /nfs/dbraw/zinc/45/07/98/386450798.db2.gz FNKMXHABIYUSPB-UHFFFAOYSA-N 1 0 207.321 2.410 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399112526 386415344 /nfs/dbraw/zinc/41/53/44/386415344.db2.gz ZMKCVXYQEHZNRJ-FZMZJTMJSA-N 1 0 246.354 2.300 10 0 BEAERO C[C@@H](CCCC[NH3+])Nc1ncnc2c1CCCC2 ZINC000310796510 386428704 /nfs/dbraw/zinc/42/87/04/386428704.db2.gz WDASIVACJWLLKO-NSHDSACASA-N 1 0 248.374 2.285 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1ccccc1 ZINC000399286460 386484010 /nfs/dbraw/zinc/48/40/10/386484010.db2.gz PTOSZUDCBQNVJB-GXTWGEPZSA-N 1 0 219.328 2.074 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000519613931 386511190 /nfs/dbraw/zinc/51/11/90/386511190.db2.gz NLMSQBBXOWQJIH-YVECIDJPSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000399403194 386542188 /nfs/dbraw/zinc/54/21/88/386542188.db2.gz HGXAOXFMLWMDRY-ONGXEEELSA-N 1 0 241.281 2.310 10 0 BEAERO CCOCCN1CC[N@@H+]([C@@H](C)CC)C[C@@H]1CC ZINC000187682354 386573360 /nfs/dbraw/zinc/57/33/60/386573360.db2.gz ORFVRGMNWYRZJT-KBPBESRZSA-N 1 0 242.407 2.218 10 0 BEAERO C[C@H]1Oc2c(cc(Cl)cc2F)[C@@H]1[NH3+] ZINC000307414804 386644615 /nfs/dbraw/zinc/64/46/15/386644615.db2.gz JZSVQOBLPJCAGD-SPGJFGJESA-N 1 0 201.628 2.260 10 0 BEAERO C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000062910890 386654244 /nfs/dbraw/zinc/65/42/44/386654244.db2.gz KTLZTOLBUYALRS-CYBMUJFWSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000245955774 386612348 /nfs/dbraw/zinc/61/23/48/386612348.db2.gz QNQLIGWSIBXMCF-AEGPPILISA-N 1 0 248.370 2.056 10 0 BEAERO CC[C@H]([NH3+])C(=O)N1CCC(C(C)(C)C)CC1 ZINC000050348679 386671024 /nfs/dbraw/zinc/67/10/24/386671024.db2.gz IIWLBHQUWIHFBA-NSHDSACASA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccco1 ZINC000247038725 386696628 /nfs/dbraw/zinc/69/66/28/386696628.db2.gz PRZYKHIHTPSNCI-QJPTWQEYSA-N 1 0 223.316 2.481 10 0 BEAERO N[C@H](C[NH3+])c1cccc(C(F)(F)F)c1Cl ZINC000044470327 386779921 /nfs/dbraw/zinc/77/99/21/386779921.db2.gz TUUQXTXIOQPCPT-SSDOTTSWSA-N 1 0 238.640 2.317 10 0 BEAERO Cc1c(C[NH2+]CCC2(C)CC2)cnn1C ZINC000280480685 386818097 /nfs/dbraw/zinc/81/80/97/386818097.db2.gz DMDWDGKUEQSBGV-UHFFFAOYSA-N 1 0 207.321 2.008 10 0 BEAERO Clc1ccccc1CNC[C@H]1CC[NH2+]C1 ZINC000398362308 386815982 /nfs/dbraw/zinc/81/59/82/386815982.db2.gz NEEPGPNZGFOVSK-JTQLQIEISA-N 1 0 224.735 2.039 10 0 BEAERO COc1ccc([C@]2([NH3+])CCSC2)s1 ZINC000575454394 386828835 /nfs/dbraw/zinc/82/88/35/386828835.db2.gz VTHNUABLAARKIO-VIFPVBQESA-N 1 0 215.343 2.048 10 0 BEAERO Cc1nnsc1-c1ccsc1C[NH3+] ZINC000575453651 386834721 /nfs/dbraw/zinc/83/47/21/386834721.db2.gz RERZFJPDXFPEML-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@@H]2C)cnn1C ZINC000230664996 134519916 /nfs/dbraw/zinc/51/99/16/134519916.db2.gz XXUWQQQLBKUQPX-JQWIXIFHSA-N 1 0 221.348 2.254 10 0 BEAERO C[C@@H](C[NH3+])N(C)c1ccc2ccccc2n1 ZINC000125469640 386844893 /nfs/dbraw/zinc/84/48/93/386844893.db2.gz ZKTFFYKQXRQFAD-JTQLQIEISA-N 1 0 215.300 2.018 10 0 BEAERO C(C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21)C1CC1 ZINC000334790003 386853932 /nfs/dbraw/zinc/85/39/32/386853932.db2.gz RWYBINBAQMXRTM-QWHCGFSZSA-N 1 0 221.344 2.287 10 0 BEAERO C[C@@H]([NH2+]CCC[S@@](C)=O)C1C(C)(C)C1(C)C ZINC000336744273 386861176 /nfs/dbraw/zinc/86/11/76/386861176.db2.gz QAJXSKHYYVIAFB-QLJPJBMISA-N 1 0 245.432 2.415 10 0 BEAERO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000335747227 386869175 /nfs/dbraw/zinc/86/91/75/386869175.db2.gz HQZASUICNCXOKG-RKDXNWHRSA-N 1 0 237.265 2.174 10 0 BEAERO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC000335747226 386870016 /nfs/dbraw/zinc/87/00/16/386870016.db2.gz HQZASUICNCXOKG-IUCAKERBSA-N 1 0 237.265 2.174 10 0 BEAERO c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000301832156 386881794 /nfs/dbraw/zinc/88/17/94/386881794.db2.gz TWLHVYGZBHSPBZ-UHTWSYAYSA-N 1 0 230.311 2.451 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)C1CC1)C1C(C)(C)C1(C)C ZINC000336739721 386896557 /nfs/dbraw/zinc/89/65/57/386896557.db2.gz LPTKSTURQKILBN-GXSJLCMTSA-N 1 0 225.376 2.418 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000341448558 386905671 /nfs/dbraw/zinc/90/56/71/386905671.db2.gz BPNDRHYNUQYLBT-OWTLIXCDSA-N 1 0 241.375 2.347 10 0 BEAERO Clc1cc(N2CC[NH+]3CCC2CC3)ccn1 ZINC000302791990 386935867 /nfs/dbraw/zinc/93/58/67/386935867.db2.gz YSQPQGMBIQYZKU-UHFFFAOYSA-N 1 0 237.734 2.019 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000425363161 386970123 /nfs/dbraw/zinc/97/01/23/386970123.db2.gz WAWVMWSQMCIQIP-WRWGMCAJSA-N 1 0 229.389 2.021 10 0 BEAERO C(C[N@@H+]1C[C@@H]2CCCCC[C@@H]21)C1OCCO1 ZINC000368437834 386973591 /nfs/dbraw/zinc/97/35/91/386973591.db2.gz XCHBIBZUOKFMJT-RYUDHWBXSA-N 1 0 225.332 2.014 10 0 BEAERO CCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398738844 386979597 /nfs/dbraw/zinc/97/95/97/386979597.db2.gz FLALUBCWFDWQDG-WUHRBBMRSA-N 1 0 211.349 2.268 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC000398739551 386979746 /nfs/dbraw/zinc/97/97/46/386979746.db2.gz OQFXUSQBMKCNMD-MELADBBJSA-N 1 0 223.360 2.269 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC000398805993 386999249 /nfs/dbraw/zinc/99/92/49/386999249.db2.gz TVHJHHIUQIJNAU-LPEHRKFASA-N 1 0 237.265 2.032 10 0 BEAERO CCCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000117881710 387030486 /nfs/dbraw/zinc/03/04/86/387030486.db2.gz RLEDJYYQZGHPBQ-ZDUSSCGKSA-N 1 0 236.363 2.180 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])[C@@]1(C)C[C@@H]1F ZINC000575457682 387030828 /nfs/dbraw/zinc/03/08/28/387030828.db2.gz KWSSLPDNYLWHBH-XVYDVKMFSA-N 1 0 200.282 2.199 10 0 BEAERO [NH3+]C[C@@H]1CCCN1c1ccc2ccccc2n1 ZINC000053663233 387031292 /nfs/dbraw/zinc/03/12/92/387031292.db2.gz QRUPJMLHEPVVTC-LBPRGKRZSA-N 1 0 227.311 2.162 10 0 BEAERO Cc1nc([C@@]2([NH3+])CCS[C@H]2C)cs1 ZINC000575462335 387033644 /nfs/dbraw/zinc/03/36/44/387033644.db2.gz BMCDLRQQFHXEGI-IMTBSYHQSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@]([NH3+])(c1cccs1)c1cncs1 ZINC000575578127 387042786 /nfs/dbraw/zinc/04/27/86/387042786.db2.gz SEBKLIBFPIWVHE-VIFPVBQESA-N 1 0 210.327 2.427 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])Cc1ccc(Br)o1 ZINC000575582701 387059225 /nfs/dbraw/zinc/05/92/25/387059225.db2.gz RYAYOKXDIXLJQR-MUWHJKNJSA-N 1 0 230.105 2.322 10 0 BEAERO CC[C@H]([NH3+])CNc1cc(C(F)(F)F)ccn1 ZINC000085486245 387063909 /nfs/dbraw/zinc/06/39/09/387063909.db2.gz GEHLXUFNISWNCR-QMMMGPOBSA-N 1 0 233.237 2.250 10 0 BEAERO OC1CC[NH+](CCC(F)(F)C(F)(F)F)CC1 ZINC000575411069 387012433 /nfs/dbraw/zinc/01/24/33/387012433.db2.gz XMFRDMXFUAPTMI-UHFFFAOYSA-N 1 0 247.207 2.031 10 0 BEAERO c1ccc2nc(NC[C@H]3CCC[NH2+]3)ccc2c1 ZINC000053255350 387022922 /nfs/dbraw/zinc/02/29/22/387022922.db2.gz VBHJNJVMEJFKDU-GFCCVEGCSA-N 1 0 227.311 2.399 10 0 BEAERO [NH3+]Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)cc1 ZINC000334881501 387023581 /nfs/dbraw/zinc/02/35/81/387023581.db2.gz XQOSIYHWXHDLKD-YPMHNXCESA-N 1 0 245.326 2.162 10 0 BEAERO CCCC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186197854 387077531 /nfs/dbraw/zinc/07/75/31/387077531.db2.gz DIYVQXIYUMFIAI-CHWSQXEVSA-N 1 0 241.375 2.350 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1nccs1 ZINC000246368105 387080032 /nfs/dbraw/zinc/08/00/32/387080032.db2.gz IZSUFPGBTZPSGB-GARJFASQSA-N 1 0 240.372 2.345 10 0 BEAERO CCC[C@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186496667 387100603 /nfs/dbraw/zinc/10/06/03/387100603.db2.gz XKDSMYGCJITZFM-NWDGAFQWSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)[C@@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186513866 387106127 /nfs/dbraw/zinc/10/61/27/387106127.db2.gz WTCXUEUOEVZYJJ-NEPJUHHUSA-N 1 0 238.375 2.022 10 0 BEAERO COc1ccc([C@H]([NH3+])CC(F)F)cc1O ZINC000575437687 387108499 /nfs/dbraw/zinc/10/84/99/387108499.db2.gz ORGCAJLCRAXHMB-SSDOTTSWSA-N 1 0 217.215 2.056 10 0 BEAERO COc1ccccc1[C@H]([NH3+])CC(F)F ZINC000575437776 387110521 /nfs/dbraw/zinc/11/05/21/387110521.db2.gz UEHSTOIZSXNQML-MRVPVSSYSA-N 1 0 201.216 2.350 10 0 BEAERO COC(=O)c1ccccc1[C@@H]([NH3+])CC(F)F ZINC000575437786 387110658 /nfs/dbraw/zinc/11/06/58/387110658.db2.gz UKRUHFWYQZTPKS-VIFPVBQESA-N 1 0 229.226 2.128 10 0 BEAERO Brc1scnc1[C@@H]1CCC[NH2+]1 ZINC000575470241 387111209 /nfs/dbraw/zinc/11/12/09/387111209.db2.gz GJYQTXXYPDNAKH-YFKPBYRVSA-N 1 0 233.134 2.330 10 0 BEAERO Nc1ccc(Cl)cc1[C@H]([NH3+])CCF ZINC000575438952 387121319 /nfs/dbraw/zinc/12/13/19/387121319.db2.gz NJUYGPWJFWEYHL-SECBINFHSA-N 1 0 202.660 2.282 10 0 BEAERO Cc1cnccc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000228726471 387121305 /nfs/dbraw/zinc/12/13/05/387121305.db2.gz CWZUFOHNLKJDDW-DZGCQCFKSA-N 1 0 245.370 2.059 10 0 BEAERO COc1ccc([C@@H]([NH3+])CC(F)F)c(OC)c1 ZINC000575439094 387121659 /nfs/dbraw/zinc/12/16/59/387121659.db2.gz PEGZNSHILDAJAW-VIFPVBQESA-N 1 0 231.242 2.359 10 0 BEAERO COc1ccc([C@@H]([NH3+])CCF)cc1OC ZINC000575439483 387124560 /nfs/dbraw/zinc/12/45/60/387124560.db2.gz AGZJHSVAYFGVRV-VIFPVBQESA-N 1 0 213.252 2.063 10 0 BEAERO [NH3+][C@H](CCF)c1c(F)cc(F)cc1F ZINC000575440295 387128054 /nfs/dbraw/zinc/12/80/54/387128054.db2.gz ZZHOFJZIRAFKAJ-MRVPVSSYSA-N 1 0 207.170 2.463 10 0 BEAERO [NH3+][C@H](CCF)c1cccc2c1OC(F)(F)O2 ZINC000575438428 387129503 /nfs/dbraw/zinc/12/95/03/387129503.db2.gz IVTXSZJMPPTVRU-SSDOTTSWSA-N 1 0 233.189 2.368 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000214560249 387145674 /nfs/dbraw/zinc/14/56/74/387145674.db2.gz WMWMCVMQLYSUAN-FDZGAKKTSA-N 1 0 235.302 2.174 10 0 BEAERO Fc1ccc2[nH]c([C@@H]3CC[NH2+]C3)cc2c1 ZINC000082927883 387153325 /nfs/dbraw/zinc/15/33/25/387153325.db2.gz VCWHQKKPAQJUJW-MRVPVSSYSA-N 1 0 204.248 2.384 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@@]12CC[C@@H]([NH3+])C2 ZINC000307290077 387159323 /nfs/dbraw/zinc/15/93/23/387159323.db2.gz ZVJHYQSIDJVEIE-MFKMUULPSA-N 1 0 240.347 2.267 10 0 BEAERO CC[NH+](CC)CCN1CCCC2(CC2)C1 ZINC000186984712 387160191 /nfs/dbraw/zinc/16/01/91/387160191.db2.gz FLIFRZWMFIPVOD-UHFFFAOYSA-N 1 0 210.365 2.204 10 0 BEAERO C[C@@H]1C[C@H](c2cccs2)C[C@@H](O)[N@@H+]1C ZINC000536949698 387160960 /nfs/dbraw/zinc/16/09/60/387160960.db2.gz DLPLKOFQAYXVOD-WCABBAIRSA-N 1 0 211.330 2.264 10 0 BEAERO CC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1OC ZINC000536952111 387165978 /nfs/dbraw/zinc/16/59/78/387165978.db2.gz APVUPRFHLYVFIU-PWSUYJOCSA-N 1 0 205.301 2.408 10 0 BEAERO [NH3+]C[C@@H](c1cccc(F)c1)C1(CO)CCCC1 ZINC000536954733 387168234 /nfs/dbraw/zinc/16/82/34/387168234.db2.gz TVJCDQQWFCSMHB-ZDUSSCGKSA-N 1 0 237.318 2.421 10 0 BEAERO Cc1cnc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000300416682 387210577 /nfs/dbraw/zinc/21/05/77/387210577.db2.gz RVADKEMFZHADDY-AVGNSLFASA-N 1 0 249.358 2.260 10 0 BEAERO Cc1csc(-c2csc(C[NH3+])n2)n1 ZINC000575592005 387212460 /nfs/dbraw/zinc/21/24/60/387212460.db2.gz WEWBGTRREQYEQL-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO CC1(C)C[C@]1([NH3+])c1ccncc1Br ZINC000575592894 387220207 /nfs/dbraw/zinc/22/02/07/387220207.db2.gz YRWWAQLVVNTFFX-JTQLQIEISA-N 1 0 241.132 2.428 10 0 BEAERO C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423371591 387227443 /nfs/dbraw/zinc/22/74/43/387227443.db2.gz HPRSOVNVWSVBKG-XQQFMLRXSA-N 1 0 222.376 2.439 10 0 BEAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2(CO)CC2)o1 ZINC000120374167 387233944 /nfs/dbraw/zinc/23/39/44/387233944.db2.gz QVVSAZXXUIDOPH-KOLCDFICSA-N 1 0 221.300 2.018 10 0 BEAERO CCCn1cc(C[N@H+](CC)CCOCC)cn1 ZINC000120464463 387247487 /nfs/dbraw/zinc/24/74/87/387247487.db2.gz GXLUOTGRXHJQET-UHFFFAOYSA-N 1 0 239.363 2.152 10 0 BEAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@H]1C)[C@H]1C[C@H]1C ZINC000321491409 387259372 /nfs/dbraw/zinc/25/93/72/387259372.db2.gz KKJCFKVELWVUIF-BNDIWNMDSA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000120665899 387263407 /nfs/dbraw/zinc/26/34/07/387263407.db2.gz XQOLNBOGVUBYTC-NXEZZACHSA-N 1 0 223.364 2.356 10 0 BEAERO Cc1c(F)c(Br)ccc1NCC[NH3+] ZINC000575492784 387269642 /nfs/dbraw/zinc/26/96/42/387269642.db2.gz LWZQPCBMLYCXKJ-UHFFFAOYSA-N 1 0 247.111 2.267 10 0 BEAERO CSCCC[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000389710057 387283229 /nfs/dbraw/zinc/28/32/29/387283229.db2.gz MDJYUUHBTAGAMA-NWDGAFQWSA-N 1 0 231.405 2.222 10 0 BEAERO COC(=O)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000353897768 387291779 /nfs/dbraw/zinc/29/17/79/387291779.db2.gz JIZVZVURQVZJIK-OCCSQVGLSA-N 1 0 245.322 2.458 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)[C@@H]1C ZINC000392855855 387293640 /nfs/dbraw/zinc/29/36/40/387293640.db2.gz AXSZXPHYUWLEMK-NJMOYASZSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C[C@@H](C)C1 ZINC000392871583 387294326 /nfs/dbraw/zinc/29/43/26/387294326.db2.gz QMCCIDWONMWRQP-FHUSYTEZSA-N 1 0 238.375 2.068 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392879440 387295411 /nfs/dbraw/zinc/29/54/11/387295411.db2.gz UPOFLCMIVXTJDB-NDBYEHHHSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000392892770 387299227 /nfs/dbraw/zinc/29/92/27/387299227.db2.gz BIOHQRSXMZBIRO-AAEUAGOBSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000392892772 387299988 /nfs/dbraw/zinc/29/99/88/387299988.db2.gz BIOHQRSXMZBIRO-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000121146794 387302947 /nfs/dbraw/zinc/30/29/47/387302947.db2.gz APPSUDURCUISPS-PDCFVHEKSA-N 1 0 217.312 2.467 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C[C@@H]1C ZINC000392945111 387305456 /nfs/dbraw/zinc/30/54/56/387305456.db2.gz RQJAVDXUPAPMIC-RXGFPQBGSA-N 1 0 238.375 2.068 10 0 BEAERO CCC[NH2+]Cc1cn(CC(F)(F)F)nc1C ZINC000575602034 387368537 /nfs/dbraw/zinc/36/85/37/387368537.db2.gz HBRKKBIQMFCYAI-UHFFFAOYSA-N 1 0 235.253 2.253 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2ccccc2Br)C1 ZINC000575506506 387373687 /nfs/dbraw/zinc/37/36/87/387373687.db2.gz AVRWOQMXDNULQF-XVKPBYJWSA-N 1 0 242.116 2.238 10 0 BEAERO F[C@H](c1ccsn1)[C@H]1CCC[NH2+]C1 ZINC000306254569 387373885 /nfs/dbraw/zinc/37/38/85/387373885.db2.gz QKZAIXHMATUOBN-CBAPKCEASA-N 1 0 200.282 2.153 10 0 BEAERO C[NH2+][C@H]1CO[C@H](c2cc(Cl)cs2)C1 ZINC000575507162 387376315 /nfs/dbraw/zinc/37/63/15/387376315.db2.gz KCFBYYIHFRYAIX-SFYZADRCSA-N 1 0 217.721 2.451 10 0 BEAERO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000286220695 387323573 /nfs/dbraw/zinc/32/35/73/387323573.db2.gz SILWRFCQJUKEQF-PWSUYJOCSA-N 1 0 225.311 2.336 10 0 BEAERO CCn1cc([C@@H]2CCC[NH2+]2)nc1Br ZINC000575497081 387326702 /nfs/dbraw/zinc/32/67/02/387326702.db2.gz VOQACTOURYTISB-ZETCQYMHSA-N 1 0 244.136 2.090 10 0 BEAERO C[C@@H]1C[C@](F)(c2ccns2)CC[NH2+]1 ZINC000575515703 387424239 /nfs/dbraw/zinc/42/42/39/387424239.db2.gz SKSZESGHHBEOGW-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1CCC[C@H](F)C1 ZINC000575515507 387424768 /nfs/dbraw/zinc/42/47/68/387424768.db2.gz PNXVFADITFKBGV-LBPRGKRZSA-N 1 0 235.306 2.145 10 0 BEAERO C[N@H+](CCCOc1ccccc1)[C@H]1CCC[C@@H]1O ZINC000352662448 387426491 /nfs/dbraw/zinc/42/64/91/387426491.db2.gz ZKIZTGMYMJMCQL-GJZGRUSLSA-N 1 0 249.354 2.301 10 0 BEAERO F[C@H](c1cncs1)[C@@H]1CCCC[NH2+]1 ZINC000575517669 387431451 /nfs/dbraw/zinc/43/14/51/387431451.db2.gz GXHUGBBDYZAZLS-CBAPKCEASA-N 1 0 200.282 2.296 10 0 BEAERO CC[C@@H](C)[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000287279948 387402220 /nfs/dbraw/zinc/40/22/20/387402220.db2.gz IBRITNOHEUQTFW-OCCSQVGLSA-N 1 0 233.355 2.419 10 0 BEAERO [NH3+]C1CC([C@@H](O)c2ccsc2Cl)C1 ZINC000575517477 387417300 /nfs/dbraw/zinc/41/73/00/387417300.db2.gz NYPNOJPOIPRKPP-NPWHJSNTSA-N 1 0 217.721 2.172 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCN(C)c1ccccc1 ZINC000085822374 387504569 /nfs/dbraw/zinc/50/45/69/387504569.db2.gz MUDNRFIAIBATPH-OKILXGFUSA-N 1 0 248.370 2.232 10 0 BEAERO CC[C@@](O)(c1cccc(OC)c1)[C@@H]1CC[N@H+](C)C1 ZINC000584635033 387506527 /nfs/dbraw/zinc/50/65/27/387506527.db2.gz IQRCDMKTJPPCPO-UKRRQHHQSA-N 1 0 249.354 2.245 10 0 BEAERO C[NH+](C)C[C@H](O)c1ccc2ccccc2c1 ZINC000042246076 387508940 /nfs/dbraw/zinc/50/89/40/387508940.db2.gz LXZIUNWZCWFKGX-AWEZNQCLSA-N 1 0 215.296 2.435 10 0 BEAERO Cc1c(C[NH2+]C[C@H](C)CC(F)(F)F)cnn1C ZINC000396969190 387522583 /nfs/dbraw/zinc/52/25/83/387522583.db2.gz YRRLRSLDQBVKMO-MRVPVSSYSA-N 1 0 249.280 2.407 10 0 BEAERO CC(C)=CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000303080161 387523596 /nfs/dbraw/zinc/52/35/96/387523596.db2.gz IJUDDGRDOHRQLV-CHWSQXEVSA-N 1 0 236.359 2.038 10 0 BEAERO COc1ncnc2c1C[N@H+](CCC(C)(C)C)CC2 ZINC000112697411 387544290 /nfs/dbraw/zinc/54/42/90/387544290.db2.gz MIAOWOCWBQHXGT-UHFFFAOYSA-N 1 0 249.358 2.280 10 0 BEAERO [NH3+]C1(CC=C(Cl)Cl)CCOCC1 ZINC000575527910 387538350 /nfs/dbraw/zinc/53/83/50/387538350.db2.gz IRKIQKNVSTXNPH-UHFFFAOYSA-N 1 0 210.104 2.203 10 0 BEAERO COC(=O)CCC[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000374550700 387465676 /nfs/dbraw/zinc/46/56/76/387465676.db2.gz TXNCOCOHOBUHKX-NEPJUHHUSA-N 1 0 225.332 2.204 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCCc2occc21 ZINC000396695913 387484709 /nfs/dbraw/zinc/48/47/09/387484709.db2.gz MFKPINFBKJWIKF-UHTWSYAYSA-N 1 0 234.343 2.387 10 0 BEAERO [NH3+][C@H]1CCC[C@](F)(c2ccsn2)C1 ZINC000306348177 387593032 /nfs/dbraw/zinc/59/30/32/387593032.db2.gz GIWPFTHDLPMCJC-IONNQARKSA-N 1 0 200.282 2.209 10 0 BEAERO c1ncc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cn1 ZINC000124388326 387615425 /nfs/dbraw/zinc/61/54/25/387615425.db2.gz VNUYHWKMKUMAHV-STQMWFEESA-N 1 0 217.316 2.241 10 0 BEAERO CCSCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000122926979 387616250 /nfs/dbraw/zinc/61/62/50/387616250.db2.gz ROPNMUIYZYGDFC-NWDGAFQWSA-N 1 0 229.389 2.383 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1ccc(F)cc1 ZINC000042237094 387622630 /nfs/dbraw/zinc/62/26/30/387622630.db2.gz LTZHVOLRXHUOMB-BIMULSAOSA-N 1 0 223.291 2.390 10 0 BEAERO C/C(=C/Br)C1CC[NH2+]CC1 ZINC000575544793 387626390 /nfs/dbraw/zinc/62/63/90/387626390.db2.gz HXCUAEXXNVUWMN-SREVYHEPSA-N 1 0 204.111 2.285 10 0 BEAERO C[NH2+][C@H]1COC[C@@H]1c1sccc1Cl ZINC000575532651 387548380 /nfs/dbraw/zinc/54/83/80/387548380.db2.gz WZOWXGFUPVKQCO-XPUUQOCRSA-N 1 0 217.721 2.103 10 0 BEAERO C[NH2+][C@@H]1COC[C@H]1c1sccc1Cl ZINC000575532644 387549133 /nfs/dbraw/zinc/54/91/33/387549133.db2.gz WZOWXGFUPVKQCO-HTRCEHHLSA-N 1 0 217.721 2.103 10 0 BEAERO C[C@@H]1C[NH2+][C@@]2(CC[C@@H](C)SC2)S1 ZINC000575533701 387554163 /nfs/dbraw/zinc/55/41/63/387554163.db2.gz DYYLPPORJHSOEM-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO CC[C@H]([NH3+])C(=O)Nc1cccc(-c2cnco2)c1 ZINC000037768122 387568060 /nfs/dbraw/zinc/56/80/60/387568060.db2.gz VYFPOZCRSCNRRY-NSHDSACASA-N 1 0 245.282 2.017 10 0 BEAERO CO[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000125002194 387642059 /nfs/dbraw/zinc/64/20/59/387642059.db2.gz VTHPGDVYTPWDTM-RQJABVFESA-N 1 0 241.375 2.037 10 0 BEAERO C[C@]([NH3+])(c1ccsc1)c1cnsc1 ZINC000575548178 387643830 /nfs/dbraw/zinc/64/38/30/387643830.db2.gz BSCVAMPHSSYSJO-VIFPVBQESA-N 1 0 210.327 2.427 10 0 BEAERO CCCC[C@@H](C[NH3+])NC(=O)C[C@H](C)C(C)C ZINC000162948195 387651167 /nfs/dbraw/zinc/65/11/67/387651167.db2.gz PVASIMBUISKBHT-RYUDHWBXSA-N 1 0 228.380 2.302 10 0 BEAERO CC[C@@H]1CS[C@]2(CCC[C@H](OC)C2)[NH2+]1 ZINC000300213807 387652344 /nfs/dbraw/zinc/65/23/44/387652344.db2.gz DHDDVMXMDHKRRQ-VWYCJHECSA-N 1 0 215.362 2.387 10 0 BEAERO CC(C)CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123141465 387656791 /nfs/dbraw/zinc/65/67/91/387656791.db2.gz YZCQQDMLKAWQCE-OLZOCXBDSA-N 1 0 212.381 2.447 10 0 BEAERO Cc1cc(C[NH2+][C@@H](CC(C)C)CN(C)C)ccn1 ZINC000527652165 387660423 /nfs/dbraw/zinc/66/04/23/387660423.db2.gz IMRILRNGIMQPRE-HNNXBMFYSA-N 1 0 249.402 2.456 10 0 BEAERO Cc1nn(C)cc1C[NH2+]CCc1ccsc1 ZINC000125948080 387668103 /nfs/dbraw/zinc/66/81/03/387668103.db2.gz NQYZUNGJOVPAJU-UHFFFAOYSA-N 1 0 235.356 2.122 10 0 BEAERO Cc1nn(C)cc1C[NH2+][C@@H](C)C1CCCC1 ZINC000126042339 387674836 /nfs/dbraw/zinc/67/48/36/387674836.db2.gz SZZZKQVYLRNDBU-JTQLQIEISA-N 1 0 221.348 2.397 10 0 BEAERO Cc1ccc(C[NH2+]CCCn2ccnn2)cc1C ZINC000126419798 387682595 /nfs/dbraw/zinc/68/25/95/387682595.db2.gz FGICGQJKKFKVEP-UHFFFAOYSA-N 1 0 244.342 2.075 10 0 BEAERO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCn1ccnn1 ZINC000126411725 387683158 /nfs/dbraw/zinc/68/31/58/387683158.db2.gz XGZGQZWSMJIRKP-CHWSQXEVSA-N 1 0 238.379 2.473 10 0 BEAERO CC(C)(C)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128502971 387747155 /nfs/dbraw/zinc/74/71/55/387747155.db2.gz MYIIXARGRAUMMC-GFCCVEGCSA-N 1 0 236.363 2.036 10 0 BEAERO C/C=C/[C@H]([NH3+])[C@H]1SCCS[C@@H]1C ZINC000575562792 387703644 /nfs/dbraw/zinc/70/36/44/387703644.db2.gz DQBDPIRKISOKBG-ORDVQYNKSA-N 1 0 203.376 2.127 10 0 BEAERO C/C=C/[C@H]([NH3+])c1ccncc1Br ZINC000575562675 387704313 /nfs/dbraw/zinc/70/43/13/387704313.db2.gz AWCFFWQRJRZVAB-HPOULIHZSA-N 1 0 227.105 2.420 10 0 BEAERO C/C=C/[C@@H]([NH3+])c1ncccc1Br ZINC000575564004 387706741 /nfs/dbraw/zinc/70/67/41/387706741.db2.gz ZATKCKJVZKRBLO-BYDTYLDUSA-N 1 0 227.105 2.420 10 0 BEAERO C[C@@H](O)C(C)(C)[NH2+]Cc1csc(C2CC2)n1 ZINC000127132007 387707205 /nfs/dbraw/zinc/70/72/05/387707205.db2.gz NZJOYHPHFMGNKA-MRVPVSSYSA-N 1 0 240.372 2.270 10 0 BEAERO CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377561296 387727068 /nfs/dbraw/zinc/72/70/68/387727068.db2.gz GXTWBDCSCMMJSS-XQHKEYJVSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000377561297 387728035 /nfs/dbraw/zinc/72/80/35/387728035.db2.gz GXTWBDCSCMMJSS-YVECIDJPSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1SCCC[C@]1([NH3+])c1cnsc1 ZINC000575567114 387736099 /nfs/dbraw/zinc/73/60/99/387736099.db2.gz XAZATJOPKUHJTA-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1SCCC[C@]1([NH3+])c1cnsc1 ZINC000575567112 387736688 /nfs/dbraw/zinc/73/66/88/387736688.db2.gz XAZATJOPKUHJTA-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1SCCC[C@]1([NH3+])c1cncs1 ZINC000575567515 387736927 /nfs/dbraw/zinc/73/69/27/387736927.db2.gz YAAVYLBVCXTDDN-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1SCCC[C@@]1([NH3+])c1cnsc1 ZINC000575567110 387737005 /nfs/dbraw/zinc/73/70/05/387737005.db2.gz XAZATJOPKUHJTA-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO C[C@H]1SCCC[C@]1([NH3+])c1ccsn1 ZINC000575571196 387742081 /nfs/dbraw/zinc/74/20/81/387742081.db2.gz IFRAPEHSRQLUPI-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000129085638 387762166 /nfs/dbraw/zinc/76/21/66/387762166.db2.gz XHRFFYCUUOWBHI-FZMZJTMJSA-N 1 0 237.318 2.385 10 0 BEAERO CCC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1 ZINC000050393652 387793523 /nfs/dbraw/zinc/79/35/23/387793523.db2.gz HCBGBHQUUWGMEK-ZIAGYGMSSA-N 1 0 246.354 2.396 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CC2)C1 ZINC000151380849 387832022 /nfs/dbraw/zinc/83/20/22/387832022.db2.gz RQEQCOPNQBMYLJ-MDZLAQPJSA-N 1 0 210.365 2.103 10 0 BEAERO C[C@H](c1ccc(F)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193602521 387856339 /nfs/dbraw/zinc/85/63/39/387856339.db2.gz KGMRKINQQSYSBU-BNOWGMLFSA-N 1 0 248.345 2.380 10 0 BEAERO C1=CO[C@H](C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000193759840 387863204 /nfs/dbraw/zinc/86/32/04/387863204.db2.gz YAXOHEIANJUUAM-IHRRRGAJSA-N 1 0 237.343 2.323 10 0 BEAERO C1=CO[C@H](C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000193759815 387863531 /nfs/dbraw/zinc/86/35/31/387863531.db2.gz YAXOHEIANJUUAM-MJBXVCDLSA-N 1 0 237.343 2.323 10 0 BEAERO CCOc1cc(N[C@H]2CC[NH2+]C2)ccc1C ZINC000423113107 387896860 /nfs/dbraw/zinc/89/68/60/387896860.db2.gz YKWHZGRBUFBSMR-LBPRGKRZSA-N 1 0 220.316 2.168 10 0 BEAERO Cc1cc(C)c(OCCO[C@@H](C)C[NH3+])c(C)c1 ZINC000074528013 177868608 /nfs/dbraw/zinc/86/86/08/177868608.db2.gz YZDYTDFIYVLDMW-ZDUSSCGKSA-N 1 0 237.343 2.354 10 0 BEAERO CC(C)C1([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000293054383 387883288 /nfs/dbraw/zinc/88/32/88/387883288.db2.gz RUJLKCNGBKVGFU-CYBMUJFWSA-N 1 0 249.354 2.205 10 0 BEAERO Cc1occc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000321042135 387936347 /nfs/dbraw/zinc/93/63/47/387936347.db2.gz ZORWYCLLMUJFGW-CHWSQXEVSA-N 1 0 223.316 2.229 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1=CCCC1 ZINC000645802697 387940461 /nfs/dbraw/zinc/94/04/61/387940461.db2.gz GGRPFXKIXUMYMC-TZMCWYRMSA-N 1 0 220.360 2.265 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ncc(C)o1 ZINC000245440117 387946161 /nfs/dbraw/zinc/94/61/61/387946161.db2.gz UFDOKEMNNPUMAC-STQMWFEESA-N 1 0 249.358 2.042 10 0 BEAERO COC[C@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000245461988 387948277 /nfs/dbraw/zinc/94/82/77/387948277.db2.gz WRVMWWPXRBFTES-QWRGUYRKSA-N 1 0 209.289 2.451 10 0 BEAERO O[C@@]1(c2ccsc2Cl)CCC[NH2+]CC1 ZINC000306314729 387963467 /nfs/dbraw/zinc/96/34/67/387963467.db2.gz PVYKFOXHRDKMGH-JTQLQIEISA-N 1 0 231.748 2.363 10 0 BEAERO CC[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245640655 387969338 /nfs/dbraw/zinc/96/93/38/387969338.db2.gz DKJRBRZPFMKRAB-BYCMXARLSA-N 1 0 231.339 2.377 10 0 BEAERO COCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245872909 387990675 /nfs/dbraw/zinc/99/06/75/387990675.db2.gz XCCGVGOTAFCVGT-ZIAGYGMSSA-N 1 0 241.375 2.447 10 0 BEAERO C[N@H+](Cc1ccco1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245846751 387986051 /nfs/dbraw/zinc/98/60/51/387986051.db2.gz LJBXHOVVNONRET-LSDHHAIUSA-N 1 0 243.306 2.370 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCn3ccnc32)C[C@H](C)O1 ZINC000453204964 388009693 /nfs/dbraw/zinc/00/96/93/388009693.db2.gz CEPCUUDCXKPSLD-YVECIDJPSA-N 1 0 249.358 2.121 10 0 BEAERO C[NH2+][C@]1(c2nc(C)c(C)s2)CCSC1 ZINC000041060587 388018313 /nfs/dbraw/zinc/01/83/13/388018313.db2.gz WBYQFZLRAPYZIO-SNVBAGLBSA-N 1 0 228.386 2.312 10 0 BEAERO CC[N@@H+]1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000246200396 388020622 /nfs/dbraw/zinc/02/06/22/388020622.db2.gz BBBPKCLMMDMKGB-ZIAGYGMSSA-N 1 0 247.338 2.285 10 0 BEAERO CC[C@H]([NH3+])CNc1ccc2ccccc2n1 ZINC000082579280 388036980 /nfs/dbraw/zinc/03/69/80/388036980.db2.gz ORHLKWHJVFKOHT-NSHDSACASA-N 1 0 215.300 2.384 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246309900 388030578 /nfs/dbraw/zinc/03/05/78/388030578.db2.gz WDNPOXDAPZBVTM-CHWSQXEVSA-N 1 0 236.363 2.036 10 0 BEAERO Clc1ccc2c(c1)N[C@H]1CC[NH2+]C[C@@H]21 ZINC000071484568 388095408 /nfs/dbraw/zinc/09/54/08/388095408.db2.gz WYZHKRBFEWYMLL-UWVGGRQHSA-N 1 0 208.692 2.211 10 0 BEAERO c1csc([C@H](C2CCC2)N2CC[NH2+]CC2)c1 ZINC000071547502 388098096 /nfs/dbraw/zinc/09/80/96/388098096.db2.gz CCDCKNHUPREZSD-ZDUSSCGKSA-N 1 0 236.384 2.495 10 0 BEAERO [NH3+][C@H]1CCc2nc(-c3ccncc3)sc2C1 ZINC000071535436 388098331 /nfs/dbraw/zinc/09/83/31/388098331.db2.gz HXWFTULFDJFJHH-VIFPVBQESA-N 1 0 231.324 2.021 10 0 BEAERO c1n[nH]cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000038005821 388099045 /nfs/dbraw/zinc/09/90/45/388099045.db2.gz RQFXHIVARGDJJK-CYBMUJFWSA-N 1 0 213.284 2.187 10 0 BEAERO CC[C@H]([NH2+]Cc1cnn(C)c1)C(C)(C)C ZINC000163915793 388099231 /nfs/dbraw/zinc/09/92/31/388099231.db2.gz PBNIEDVRRKBZCM-NSHDSACASA-N 1 0 209.337 2.334 10 0 BEAERO C[NH+](C)C[C@@H](O)c1cccc2ccccc21 ZINC000002014910 388142345 /nfs/dbraw/zinc/14/23/45/388142345.db2.gz CYGCSVLDTXQNDW-CQSZACIVSA-N 1 0 215.296 2.435 10 0 BEAERO COc1cccc([C@H]2C[NH2+]CC2(C)C)c1 ZINC000220133621 256521064 /nfs/dbraw/zinc/52/10/64/256521064.db2.gz NTWKZJDHRMTFSD-GFCCVEGCSA-N 1 0 205.301 2.408 10 0 BEAERO C[C@H]1CN(c2nccc3ccccc32)C[C@H]1[NH3+] ZINC000300049984 388345953 /nfs/dbraw/zinc/34/59/53/388345953.db2.gz WCNDWIUORFNDBP-GXFFZTMASA-N 1 0 227.311 2.018 10 0 BEAERO CC[C@@H]([NH2+]CCn1cncn1)c1cccc(F)c1 ZINC000275895772 388346082 /nfs/dbraw/zinc/34/60/82/388346082.db2.gz RKLRODVIFSTSRG-CYBMUJFWSA-N 1 0 248.305 2.158 10 0 BEAERO FC1(F)CC[C@@H]2[NH2+]CCCS[C@@H]2C1 ZINC000575520655 388356870 /nfs/dbraw/zinc/35/68/70/388356870.db2.gz RBTXOKKCCPCVFC-JGVFFNPUSA-N 1 0 207.289 2.269 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@H](C)C1 ZINC000646534076 388377049 /nfs/dbraw/zinc/37/70/49/388377049.db2.gz UADKDSUVTYWQFL-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCSC1 ZINC000324607164 388386533 /nfs/dbraw/zinc/38/65/33/388386533.db2.gz KSRLTAINPXMONP-QWRGUYRKSA-N 1 0 231.405 2.126 10 0 BEAERO C[NH2+]C(C)(C)c1cncn1Cc1ccccc1 ZINC000229031716 388389884 /nfs/dbraw/zinc/38/98/84/388389884.db2.gz AZDZUQKAIBUOBE-UHFFFAOYSA-N 1 0 229.327 2.386 10 0 BEAERO Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]2CCF)s1 ZINC000393788688 388441949 /nfs/dbraw/zinc/44/19/49/388441949.db2.gz BXYPOXVDJLZOSA-NXEZZACHSA-N 1 0 243.351 2.464 10 0 BEAERO CC[C@@H]([NH3+])c1nc2c(s1)CSCC2 ZINC000042335326 388443403 /nfs/dbraw/zinc/44/34/03/388443403.db2.gz LYKAJPNEMRLSDG-ZCFIWIBFSA-N 1 0 214.359 2.342 10 0 BEAERO Cc1cc(C[NH3+])cc(NC(=O)CC(F)(F)F)c1 ZINC000322926965 388450856 /nfs/dbraw/zinc/45/08/56/388450856.db2.gz NJMBMDCDDYPJCT-UHFFFAOYSA-N 1 0 246.232 2.345 10 0 BEAERO CCC[NH2+][C@H]1CCCCCC[C@H]1C(=O)OC ZINC000309923126 388468935 /nfs/dbraw/zinc/46/89/35/388468935.db2.gz UCRGTCFTWCJRIO-NEPJUHHUSA-N 1 0 227.348 2.498 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000134176995 388474719 /nfs/dbraw/zinc/47/47/19/388474719.db2.gz YFOYIASKEULIOQ-GUBZILKMSA-N 1 0 213.346 2.416 10 0 BEAERO Cc1cnccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000295801457 388414304 /nfs/dbraw/zinc/41/43/04/388414304.db2.gz SRAVPILSPARTNQ-KBPBESRZSA-N 1 0 234.343 2.031 10 0 BEAERO COc1ccc(CC[N@@H+]2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000296156074 388418018 /nfs/dbraw/zinc/41/80/18/388418018.db2.gz KHVWQAAYMWPBHT-SWLSCSKDSA-N 1 0 249.354 2.083 10 0 BEAERO Cc1cc(C)c(C=O)c(OCC[NH+](C)C)c1 ZINC000040541789 388420354 /nfs/dbraw/zinc/42/03/54/388420354.db2.gz SZJFFACLDKMHQA-UHFFFAOYSA-N 1 0 221.300 2.056 10 0 BEAERO C[C@@H]1[C@@H](O)CCCN1Cc1c(F)cccc1F ZINC000296334479 388421444 /nfs/dbraw/zinc/42/14/44/388421444.db2.gz QYEOKHYCDBYWAZ-RNCFNFMXSA-N 1 0 241.281 2.310 10 0 BEAERO Cc1ccc([C@H](C)NCc2cn[nH]n2)c(C)c1 ZINC000296348355 388422935 /nfs/dbraw/zinc/42/29/35/388422935.db2.gz QWLWTCONFAMPCB-NSHDSACASA-N 1 0 230.315 2.272 10 0 BEAERO C1CC1N1CCC[C@H]2C[N@@H+](C3CCC3)CC[C@@H]21 ZINC000245595642 388424853 /nfs/dbraw/zinc/42/48/53/388424853.db2.gz IJMIXASKKHRQSM-WFASDCNBSA-N 1 0 234.387 2.488 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)[C@H]1C[C@H]1C ZINC000322331646 388432045 /nfs/dbraw/zinc/43/20/45/388432045.db2.gz NXHSKIGSACVRIR-QNWJLWSRSA-N 1 0 211.349 2.172 10 0 BEAERO [NH3+]Cc1cnc(-c2ccccc2Cl)o1 ZINC000041218132 388434049 /nfs/dbraw/zinc/43/40/49/388434049.db2.gz ATMPFKQBXOSEOH-UHFFFAOYSA-N 1 0 208.648 2.454 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000342603238 388497344 /nfs/dbraw/zinc/49/73/44/388497344.db2.gz XANXICZOOMVMKI-GRYCIOLGSA-N 1 0 240.391 2.458 10 0 BEAERO CCc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)nc1 ZINC000345102972 388510626 /nfs/dbraw/zinc/51/06/26/388510626.db2.gz OUTMESNILOSISL-BXUZGUMPSA-N 1 0 234.343 2.301 10 0 BEAERO COc1cc(F)cc(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000312285690 388511502 /nfs/dbraw/zinc/51/15/02/388511502.db2.gz QMIQSEBLLPILPN-PELKAZGASA-N 1 0 209.264 2.332 10 0 BEAERO CC1(C)CC(CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000528381167 388518395 /nfs/dbraw/zinc/51/83/95/388518395.db2.gz UZEGWSFUQGQYGC-CYBMUJFWSA-N 1 0 222.376 2.203 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000517039814 256812930 /nfs/dbraw/zinc/81/29/30/256812930.db2.gz KHTKMZOPZJXQMQ-SNVBAGLBSA-N 1 0 248.326 2.022 10 0 BEAERO c1ncn(CC[NH2+]CCC2CCCCCC2)n1 ZINC000347824218 388524708 /nfs/dbraw/zinc/52/47/08/388524708.db2.gz JHCJXEQDZHXAPT-UHFFFAOYSA-N 1 0 236.363 2.228 10 0 BEAERO CSCc1nc(C)c([C@H](C)[NH3+])s1 ZINC000054496939 388594240 /nfs/dbraw/zinc/59/42/40/388594240.db2.gz IMOATFFZQYFFGS-YFKPBYRVSA-N 1 0 202.348 2.334 10 0 BEAERO CCC[C@H](C(=O)N1CC[C@H](C)[C@@H](C)C1)[NH+](C)C ZINC000245862478 388607585 /nfs/dbraw/zinc/60/75/85/388607585.db2.gz FPNGPWQDPDNFJK-RWMBFGLXSA-N 1 0 240.391 2.221 10 0 BEAERO CCC[C@@H](C)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000245845487 388607731 /nfs/dbraw/zinc/60/77/31/388607731.db2.gz LANBPBHNSJPDPC-KGLIPLIRSA-N 1 0 242.407 2.075 10 0 BEAERO CC[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000187670534 388610456 /nfs/dbraw/zinc/61/04/56/388610456.db2.gz WKWPZJFHDQEGRT-NSHDSACASA-N 1 0 221.348 2.398 10 0 BEAERO CCCC(C)(C)[NH2+]Cc1cnn(C)c1C ZINC000137002487 388554223 /nfs/dbraw/zinc/55/42/23/388554223.db2.gz RLWPHANQFKZVMS-UHFFFAOYSA-N 1 0 209.337 2.397 10 0 BEAERO CCCC(CCC)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367713903 388567051 /nfs/dbraw/zinc/56/70/51/388567051.db2.gz XANGPTCLCJZIAH-XYYAHUGASA-N 1 0 211.349 2.437 10 0 BEAERO CCC[C@H](C)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000368426358 388568493 /nfs/dbraw/zinc/56/84/93/388568493.db2.gz VVLVCMVNPMANBV-NWDGAFQWSA-N 1 0 221.348 2.224 10 0 BEAERO COC(=O)Cc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000075905555 388575770 /nfs/dbraw/zinc/57/57/70/388575770.db2.gz QTEBIKWTYAVJFA-ZDUSSCGKSA-N 1 0 233.311 2.217 10 0 BEAERO COC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000125674742 388674918 /nfs/dbraw/zinc/67/49/18/388674918.db2.gz QOGYIWGGPDJSOV-NWDGAFQWSA-N 1 0 227.348 2.354 10 0 BEAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)CC)C1 ZINC000248373497 388676101 /nfs/dbraw/zinc/67/61/01/388676101.db2.gz JJMCZALUEREYPX-NEPJUHHUSA-N 1 0 226.364 2.166 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000248375076 388677793 /nfs/dbraw/zinc/67/77/93/388677793.db2.gz VJBXDPPYYGZHJN-YPMHNXCESA-N 1 0 221.348 2.454 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000246718977 388650615 /nfs/dbraw/zinc/65/06/15/388650615.db2.gz LOPFPMXYHWTZJZ-WDEREUQCSA-N 1 0 236.363 2.227 10 0 BEAERO [NH3+]CCc1ccc2cccc(Cl)c2n1 ZINC000062569733 388653462 /nfs/dbraw/zinc/65/34/62/388653462.db2.gz JYFQOUHCULNEEF-UHFFFAOYSA-N 1 0 206.676 2.389 10 0 BEAERO Cc1ccoc1C[NH2+]CC1(CCO)CCC1 ZINC000124452649 388663506 /nfs/dbraw/zinc/66/35/06/388663506.db2.gz SXGMVPDURZFWFM-UHFFFAOYSA-N 1 0 223.316 2.230 10 0 BEAERO CCC(CC)[C@@H](O)C[NH2+][C@H]1CCCSC1 ZINC000128265188 388742946 /nfs/dbraw/zinc/74/29/46/388742946.db2.gz UIDCUJCLZJHHCV-RYUDHWBXSA-N 1 0 231.405 2.269 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)[C@H]1C ZINC000251563193 388749165 /nfs/dbraw/zinc/74/91/65/388749165.db2.gz AJWIHLNWCUQLHJ-QUANKSPYSA-N 1 0 211.349 2.172 10 0 BEAERO CCCC[C@@H](CC)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248946572 388700803 /nfs/dbraw/zinc/70/08/03/388700803.db2.gz CJYMNLNAYMLKAM-CHWSQXEVSA-N 1 0 240.391 2.413 10 0 BEAERO CSCCCC[NH2+]Cc1ccc(CO)o1 ZINC000126905882 388707754 /nfs/dbraw/zinc/70/77/54/388707754.db2.gz CFQZJSDJWMKTOO-UHFFFAOYSA-N 1 0 229.345 2.005 10 0 BEAERO CC1CCC(C[NH2+]C[C@H]2CCCN2C)CC1 ZINC000127338029 388721234 /nfs/dbraw/zinc/72/12/34/388721234.db2.gz DWFGACRVLJHYSY-JXQTWKCFSA-N 1 0 224.392 2.497 10 0 BEAERO OC1CC(C[NH2+]Cc2cccc3cccnc32)C1 ZINC000091538152 388765526 /nfs/dbraw/zinc/76/55/26/388765526.db2.gz INJDFSMQZKRHLO-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH2+]CC1CC(O)C1)CC2 ZINC000092837884 388818759 /nfs/dbraw/zinc/81/87/59/388818759.db2.gz VKNRWSVQKAHCPU-QHAMSDLMSA-N 1 0 247.338 2.043 10 0 BEAERO CC[C@@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129354928 388833275 /nfs/dbraw/zinc/83/32/75/388833275.db2.gz HTPTUGUYAMXRNS-PNESKVBLSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CCCOC1CCCC1 ZINC000564652363 388883998 /nfs/dbraw/zinc/88/39/98/388883998.db2.gz ZJKLROPXBAOLGX-CYBMUJFWSA-N 1 0 243.391 2.332 10 0 BEAERO [NH3+]Cc1cc(Br)cc2c1OCCC2 ZINC000575493547 388948227 /nfs/dbraw/zinc/94/82/27/388948227.db2.gz QRPVZXYWQVEDGZ-UHFFFAOYSA-N 1 0 242.116 2.233 10 0 BEAERO Cc1c[nH+]ccc1NCC1C[C@@H](C)O[C@H](C)C1 ZINC000336617479 177650084 /nfs/dbraw/zinc/65/00/84/177650084.db2.gz DFZKVRLIZMITMN-VXGBXAGGSA-N 1 0 234.343 2.427 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNc1cccc(F)n1 ZINC000267241043 388999413 /nfs/dbraw/zinc/99/94/13/388999413.db2.gz RTVPTJXGHQIHKD-JTQLQIEISA-N 1 0 225.311 2.363 10 0 BEAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000274326795 389046231 /nfs/dbraw/zinc/04/62/31/389046231.db2.gz AAIZHZBCYSWJTG-GMXVVIOVSA-N 1 0 220.316 2.218 10 0 BEAERO CC[C@@H]1CN(c2ccc(C)c(C)c2)CC[NH2+]1 ZINC000016944881 132323573 /nfs/dbraw/zinc/32/35/73/132323573.db2.gz AUBUBSWMDBMPFY-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO C[C@H]1CCc2ccccc2N1CCC(N)=[NH2+] ZINC000019470630 132325115 /nfs/dbraw/zinc/32/51/15/132325115.db2.gz NQEDWYLQVDUMNH-JTQLQIEISA-N 1 0 217.316 2.154 10 0 BEAERO [NH3+][C@H]1CCCN(c2ccc(F)c(F)c2F)C1 ZINC000057953411 132367419 /nfs/dbraw/zinc/36/74/19/132367419.db2.gz WUNMMUMIFLNCQT-ZETCQYMHSA-N 1 0 230.233 2.031 10 0 BEAERO CCN(C)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225925 169713662 /nfs/dbraw/zinc/71/36/62/169713662.db2.gz YFCPAEVFUXKSLZ-LLVKDONJSA-N 1 0 212.724 2.292 10 0 BEAERO C[C@@H](NCc1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000400357281 533446192 /nfs/dbraw/zinc/44/61/92/533446192.db2.gz OUUFWOHNMJFTQP-ZJUUUORDSA-N 1 0 240.297 2.052 10 0 BEAERO COc1cccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400721492 533620062 /nfs/dbraw/zinc/62/00/62/533620062.db2.gz GUFPVPFJMQRLMD-GHMZBOCLSA-N 1 0 220.316 2.105 10 0 BEAERO COc1cccc(N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400721494 533620100 /nfs/dbraw/zinc/62/01/00/533620100.db2.gz GUFPVPFJMQRLMD-MNOVXSKESA-N 1 0 220.316 2.105 10 0 BEAERO CCN(CC(C)(C)C[NH3+])c1ccccc1 ZINC000049813626 169732040 /nfs/dbraw/zinc/73/20/40/169732040.db2.gz IERRIEBXFGXDAN-UHFFFAOYSA-N 1 0 206.333 2.498 10 0 BEAERO C[C@H]1CCC[C@@H](C[NH2+]CC2CC(O)C2)C1 ZINC000084447252 322835549 /nfs/dbraw/zinc/83/55/49/322835549.db2.gz NWJRPMIDWLUJLI-ZFDZMSFRSA-N 1 0 211.349 2.173 10 0 BEAERO COc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1F ZINC000083366179 132311243 /nfs/dbraw/zinc/31/12/43/132311243.db2.gz XGRGNQDAJWYOHZ-ZJUUUORDSA-N 1 0 238.306 2.021 10 0 BEAERO Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000001491952 132314303 /nfs/dbraw/zinc/31/43/03/132314303.db2.gz AZKCYSCBPAJCPT-UHFFFAOYSA-N 1 0 225.295 2.227 10 0 BEAERO [NH3+]CCCCN1CCCc2ccccc21 ZINC000011805326 132320738 /nfs/dbraw/zinc/32/07/38/132320738.db2.gz UEAVZBYCMVJTKH-UHFFFAOYSA-N 1 0 204.317 2.178 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000011959701 132321036 /nfs/dbraw/zinc/32/10/36/132321036.db2.gz AYBPAYUGFJBCBG-FZMZJTMJSA-N 1 0 246.354 2.339 10 0 BEAERO CCOc1ccccc1N1CC[NH2+]C[C@H]1CC ZINC000016945104 132323701 /nfs/dbraw/zinc/32/37/01/132323701.db2.gz SKVNDSXLMYGVJI-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO CC[C@@H]1CN(c2ccc(C)cc2C)CC[NH2+]1 ZINC000016944865 132323724 /nfs/dbraw/zinc/32/37/24/132323724.db2.gz SHZAVGUSFIDYPM-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1ccc2c(c1)CCCN2CCC(N)=[NH2+] ZINC000019436696 132325084 /nfs/dbraw/zinc/32/50/84/132325084.db2.gz QYCJBJZNBAMHTP-UHFFFAOYSA-N 1 0 217.316 2.074 10 0 BEAERO Cc1ccc(N2CCC([NH3+])CC2)cc1F ZINC000019479311 132325536 /nfs/dbraw/zinc/32/55/36/132325536.db2.gz YNIOQVWRJLMOMF-UHFFFAOYSA-N 1 0 208.280 2.062 10 0 BEAERO Cc1ccc2c(c1)CCCN2CCCC(N)=[NH2+] ZINC000019519132 132326041 /nfs/dbraw/zinc/32/60/41/132326041.db2.gz IBDJZSURPBKJAK-UHFFFAOYSA-N 1 0 231.343 2.464 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2cc[nH+]cc2N)C1 ZINC000019763579 132327017 /nfs/dbraw/zinc/32/70/17/132327017.db2.gz GKXHFNKFALZPGR-AOOOYVTPSA-N 1 0 205.305 2.146 10 0 BEAERO C[C@H]([NH3+])c1c(F)cccc1N1CCO[C@@H](C)C1 ZINC000019872141 132328596 /nfs/dbraw/zinc/32/85/96/132328596.db2.gz BLWGSZVGANSYJO-UWVGGRQHSA-N 1 0 238.306 2.071 10 0 BEAERO Nc1ccccc1N1CC[NH+](C2CCCC2)CC1 ZINC000020265409 132330372 /nfs/dbraw/zinc/33/03/72/132330372.db2.gz SCWMQIQXCPCHJY-UHFFFAOYSA-N 1 0 245.370 2.333 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1ccc(F)c(F)c1 ZINC000034633014 132336783 /nfs/dbraw/zinc/33/67/83/132336783.db2.gz WJGWDBUQGYXBAG-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO [NH3+]Cc1ccc(N2CCc3sccc3C2)nc1 ZINC000035127037 132337569 /nfs/dbraw/zinc/33/75/69/132337569.db2.gz VBZIXOAFGKZXOJ-UHFFFAOYSA-N 1 0 245.351 2.165 10 0 BEAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCO[C@H](C)C1 ZINC000035438967 132338553 /nfs/dbraw/zinc/33/85/53/132338553.db2.gz BLWGSZVGANSYJO-NXEZZACHSA-N 1 0 238.306 2.071 10 0 BEAERO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)[nH+]cc1N ZINC000036250771 132341341 /nfs/dbraw/zinc/34/13/41/132341341.db2.gz CSFPBSALLCKZIN-UWVGGRQHSA-N 1 0 219.332 2.455 10 0 BEAERO CC[C@H]1CN(c2ccccc2C[NH2+]C)CCO1 ZINC000036770464 132342818 /nfs/dbraw/zinc/34/28/18/132342818.db2.gz DZBWEWDIAOBNAC-ZDUSSCGKSA-N 1 0 234.343 2.021 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090177 132343643 /nfs/dbraw/zinc/34/36/43/132343643.db2.gz KKDABHPXUIJWCK-QWHCGFSZSA-N 1 0 248.374 2.224 10 0 BEAERO C[NH2+]C1CCN(c2ccc(C)c(F)c2)CC1 ZINC000037241567 132343893 /nfs/dbraw/zinc/34/38/93/132343893.db2.gz MNVKHOJXBYUMMV-UHFFFAOYSA-N 1 0 222.307 2.322 10 0 BEAERO C[NH2+]C1CCN(c2cccc(C)c2C)CC1 ZINC000037241818 132344012 /nfs/dbraw/zinc/34/40/12/132344012.db2.gz BDQGZLCFRYUIOC-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1ccc(N2CCCC2)cc1 ZINC000041296539 132350034 /nfs/dbraw/zinc/35/00/34/132350034.db2.gz JVZSYNLDKPJXLL-ZDUSSCGKSA-N 1 0 245.370 2.085 10 0 BEAERO CCCO[C@@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000042421118 132351412 /nfs/dbraw/zinc/35/14/12/132351412.db2.gz RFVKIMCBFMUYRY-LLVKDONJSA-N 1 0 235.331 2.059 10 0 BEAERO Cc1c(F)cccc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000043321353 132352771 /nfs/dbraw/zinc/35/27/71/132352771.db2.gz YUEKUVHRMWMROV-GXSJLCMTSA-N 1 0 222.307 2.450 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCC[C@@H](C)C2)n1 ZINC000043395462 132352857 /nfs/dbraw/zinc/35/28/57/132352857.db2.gz GOJBTTSLCQDTOU-SNVBAGLBSA-N 1 0 219.332 2.085 10 0 BEAERO Cc1cc(N2CCC[C@H]([NH3+])C2)ccc1F ZINC000043470560 132353397 /nfs/dbraw/zinc/35/33/97/132353397.db2.gz UEVNCYICEZGTSW-JTQLQIEISA-N 1 0 208.280 2.062 10 0 BEAERO CC[C@H]1CCCN(c2cc(N)cc[nH+]2)C1 ZINC000043568973 132353756 /nfs/dbraw/zinc/35/37/56/132353756.db2.gz MNDHKLDWQUDMPT-JTQLQIEISA-N 1 0 205.305 2.290 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccnc2)[C@H](C)C1 ZINC000049694160 132356676 /nfs/dbraw/zinc/35/66/76/132356676.db2.gz XUFNOOVMTILCFG-VXGBXAGGSA-N 1 0 219.332 2.048 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(F)c2)[C@H](C)C1 ZINC000049693967 132356783 /nfs/dbraw/zinc/35/67/83/132356783.db2.gz VSVREHSAVKEKFE-PWSUYJOCSA-N 1 0 222.307 2.402 10 0 BEAERO C[C@H]1CN(c2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000049707916 132356952 /nfs/dbraw/zinc/35/69/52/132356952.db2.gz XJMFYBYSAVHNLO-KWQFWETISA-N 1 0 226.270 2.138 10 0 BEAERO C[C@@H]1CN(c2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000049707915 132356972 /nfs/dbraw/zinc/35/69/72/132356972.db2.gz XJMFYBYSAVHNLO-KCJUWKMLSA-N 1 0 226.270 2.138 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc2c(c1)CCC2 ZINC000049707877 132357005 /nfs/dbraw/zinc/35/70/05/132357005.db2.gz UYSCYMPYPAJQPE-FZMZJTMJSA-N 1 0 230.355 2.491 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000049709227 132357277 /nfs/dbraw/zinc/35/72/77/132357277.db2.gz GYCHYUICMJAMLH-RYUDHWBXSA-N 1 0 204.317 2.263 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2C)C[C@H]1C ZINC000049709950 132357480 /nfs/dbraw/zinc/35/74/80/132357480.db2.gz YVSFAOROUSYXFN-OLZOCXBDSA-N 1 0 218.344 2.429 10 0 BEAERO C[NH2+][C@H]1CCN(c2c(F)cccc2F)C[C@@H]1C ZINC000049710250 132357495 /nfs/dbraw/zinc/35/74/95/132357495.db2.gz DKUGGJLITKGQSI-CABZTGNLSA-N 1 0 240.297 2.399 10 0 BEAERO C[C@@H]1CN(c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000049710245 132357496 /nfs/dbraw/zinc/35/74/96/132357496.db2.gz WWXUBVFBVJUQEY-KCJUWKMLSA-N 1 0 226.270 2.138 10 0 BEAERO C[NH2+][C@H]1CCN(c2c(F)cccc2F)C[C@H]1C ZINC000049710249 132357501 /nfs/dbraw/zinc/35/75/01/132357501.db2.gz DKUGGJLITKGQSI-SKDRFNHKSA-N 1 0 240.297 2.399 10 0 BEAERO C[C@@H]1CN(c2cccc3cnccc32)CC[C@@H]1[NH3+] ZINC000049711497 132357706 /nfs/dbraw/zinc/35/77/06/132357706.db2.gz JOEOKZISMWJEHY-RISCZKNCSA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(N(C)C)cc1 ZINC000049711483 132357786 /nfs/dbraw/zinc/35/77/86/132357786.db2.gz QDBHHJFGTHCFNB-NEPJUHHUSA-N 1 0 233.359 2.069 10 0 BEAERO COc1cc(F)ccc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049714388 132358111 /nfs/dbraw/zinc/35/81/11/132358111.db2.gz WLNBSUJHRLLZIZ-GXSJLCMTSA-N 1 0 238.306 2.150 10 0 BEAERO CC[C@H](C)C[NH+]1CCN(c2ccccc2N)CC1 ZINC000050425195 132358950 /nfs/dbraw/zinc/35/89/50/132358950.db2.gz DSMMFWCWYCOFKX-ZDUSSCGKSA-N 1 0 247.386 2.437 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1c1ccc(C[NH3+])cn1 ZINC000050562853 132359164 /nfs/dbraw/zinc/35/91/64/132359164.db2.gz LQXGSBUJVDMVCM-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2ccnc(C[NH3+])c2)C1 ZINC000051396428 132360195 /nfs/dbraw/zinc/36/01/95/132360195.db2.gz BWNPSHPLZLDTET-PHIMTYICSA-N 1 0 219.332 2.023 10 0 BEAERO Cc1ccc(C[NH3+])c(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000051578568 132361191 /nfs/dbraw/zinc/36/11/91/132361191.db2.gz PGRRIKGUAGECNZ-TXEJJXNPSA-N 1 0 234.343 2.067 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCCC[C@@H]2CCO)c1 ZINC000051578625 132361429 /nfs/dbraw/zinc/36/14/29/132361429.db2.gz QASUTORVQVWIAG-CQSZACIVSA-N 1 0 248.370 2.195 10 0 BEAERO C[C@@H]1CCN(c2cc(C[NH3+])ccn2)[C@H](C)C1 ZINC000051728431 132361513 /nfs/dbraw/zinc/36/15/13/132361513.db2.gz PBBFDEPHIROWKM-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO Cc1nnc(N2CC[C@@H](C)C[C@@H]2C)c(C[NH3+])c1C ZINC000051728471 132361543 /nfs/dbraw/zinc/36/15/43/132361543.db2.gz OOKVDTCZBMUQCD-ZJUUUORDSA-N 1 0 248.374 2.177 10 0 BEAERO C[NH2+]C[C@@H](C)CN1CCCc2ccccc21 ZINC000052421454 132362109 /nfs/dbraw/zinc/36/21/09/132362109.db2.gz YXEIYKSWLGTELY-GFCCVEGCSA-N 1 0 218.344 2.295 10 0 BEAERO C[NH2+]C[C@@H](C)N1CCCc2ccccc21 ZINC000052421409 132362111 /nfs/dbraw/zinc/36/21/11/132362111.db2.gz FEZSADYDZNSWEJ-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000052274759 132362237 /nfs/dbraw/zinc/36/22/37/132362237.db2.gz ZLMOCIFNQXGZRH-ADEWGFFLSA-N 1 0 230.311 2.092 10 0 BEAERO COCC[C@@H]([NH3+])CN1c2ccccc2CC[C@H]1C ZINC000052810538 132362311 /nfs/dbraw/zinc/36/23/11/132362311.db2.gz PXLFCILMDGZXCG-TZMCWYRMSA-N 1 0 248.370 2.192 10 0 BEAERO C[C@H]1CN(c2ccc(Cl)cc2C[NH3+])CCO1 ZINC000052856526 132362596 /nfs/dbraw/zinc/36/25/96/132362596.db2.gz CVRXRBRNMFXTID-VIFPVBQESA-N 1 0 240.734 2.024 10 0 BEAERO Cc1cccc(N2CCC[C@@H]([NH3+])C2)c1C ZINC000053328073 132363012 /nfs/dbraw/zinc/36/30/12/132363012.db2.gz WFYRUPNFVOZZKF-GFCCVEGCSA-N 1 0 204.317 2.231 10 0 BEAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1ncccc1Cl ZINC000053704319 132363138 /nfs/dbraw/zinc/36/31/38/132363138.db2.gz XFHQMKMULIOMMB-UWVGGRQHSA-N 1 0 239.750 2.299 10 0 BEAERO Cc1ccc(N)cc1N1CCC(C[NH+](C)C)CC1 ZINC000053735385 132363674 /nfs/dbraw/zinc/36/36/74/132363674.db2.gz CXXJMNIHCOCRCH-UHFFFAOYSA-N 1 0 247.386 2.355 10 0 BEAERO C[C@H]1CN(c2ccccc2Cl)CC[NH2+]1 ZINC000054348308 132364098 /nfs/dbraw/zinc/36/40/98/132364098.db2.gz JKUQCMILVKWXCT-VIFPVBQESA-N 1 0 210.708 2.138 10 0 BEAERO Cc1nc(N2CCCCC2)nc(C)c1[C@@H](C)C[NH3+] ZINC000054837212 132365023 /nfs/dbraw/zinc/36/50/23/132365023.db2.gz DILCHUUAGYHSJT-JTQLQIEISA-N 1 0 248.374 2.146 10 0 BEAERO CC[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000058111886 132367971 /nfs/dbraw/zinc/36/79/71/132367971.db2.gz ADYADMLNDYVSIN-NSHDSACASA-N 1 0 218.300 2.005 10 0 BEAERO CCO[C@@H](C[NH3+])CN1CCCc2cc(C)ccc21 ZINC000062739430 132388792 /nfs/dbraw/zinc/38/87/92/132388792.db2.gz AQNYQBZWVJBKRU-AWEZNQCLSA-N 1 0 248.370 2.111 10 0 BEAERO CN1c2ccc([C@@H]([NH3+])C3CC3)cc2CCC1=O ZINC000062806484 132388796 /nfs/dbraw/zinc/38/87/96/132388796.db2.gz GFHWBOQSVFLHHZ-AWEZNQCLSA-N 1 0 230.311 2.005 10 0 BEAERO C[C@@H]1CCN(c2ccc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000235360999 132391962 /nfs/dbraw/zinc/39/19/62/132391962.db2.gz WYPIWEDDNMVFMC-MWLCHTKSSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1c(F)cccc1F ZINC000071532813 132393429 /nfs/dbraw/zinc/39/34/29/132393429.db2.gz OWGDIIQFZOJFFN-DTWKUNHWSA-N 1 0 226.270 2.151 10 0 BEAERO C[C@@H]1CN(c2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC000071560178 132394549 /nfs/dbraw/zinc/39/45/49/132394549.db2.gz HQTNSJKXIIGOQT-CYBMUJFWSA-N 1 0 245.370 2.085 10 0 BEAERO C[C@@H]1CCN(c2ncccc2Cl)[C@@H](C[NH3+])C1 ZINC000235388123 132395663 /nfs/dbraw/zinc/39/56/63/132395663.db2.gz GMAHZGNRLAGZLQ-NXEZZACHSA-N 1 0 239.750 2.299 10 0 BEAERO CC[C@@H]1CN(c2cccc(F)c2)CC[NH2+]1 ZINC000083059317 132419710 /nfs/dbraw/zinc/41/97/10/132419710.db2.gz RCLKFMAUZAAPJW-LLVKDONJSA-N 1 0 208.280 2.014 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccccc1 ZINC000083085221 132420294 /nfs/dbraw/zinc/42/02/94/132420294.db2.gz GLIHSUDDTNAUJD-VXGBXAGGSA-N 1 0 204.317 2.263 10 0 BEAERO CC[C@@H]1CN(c2nc(C)cc(C)n2)[C@@H](CC)C[NH2+]1 ZINC000083379633 132425719 /nfs/dbraw/zinc/42/57/19/132425719.db2.gz GZTVGQNRALOLQS-OLZOCXBDSA-N 1 0 248.374 2.060 10 0 BEAERO CCCC[NH2+]CCN1CCN(C)c2ccccc21 ZINC000104272061 132435250 /nfs/dbraw/zinc/43/52/50/132435250.db2.gz GMRYVSJJCARHAN-UHFFFAOYSA-N 1 0 247.386 2.333 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)cc1 ZINC000071511176 132439402 /nfs/dbraw/zinc/43/94/02/132439402.db2.gz DOQXEVVICMTFGT-VHSXEESVSA-N 1 0 208.280 2.012 10 0 BEAERO CC(C)c1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])ncn1 ZINC000226346280 132439908 /nfs/dbraw/zinc/43/99/08/132439908.db2.gz KYJGOJFKLOYINF-AAEUAGOBSA-N 1 0 248.374 2.164 10 0 BEAERO CC(C)CC[NH2+]CCN(C)Cc1ccncc1 ZINC000053383755 166857917 /nfs/dbraw/zinc/85/79/17/166857917.db2.gz SOBZZYZUBOPFGL-UHFFFAOYSA-N 1 0 235.375 2.149 10 0 BEAERO C[C@H]([NH3+])CN1CCCC[C@@H]1c1nccs1 ZINC000336171830 134115596 /nfs/dbraw/zinc/11/55/96/134115596.db2.gz YEKXLJXSIDYUDW-VHSXEESVSA-N 1 0 225.361 2.017 10 0 BEAERO C[C@H](CC(=O)NCC1=CC[NH2+]CC1)C(C)(C)C ZINC000169275391 134249853 /nfs/dbraw/zinc/24/98/53/134249853.db2.gz ZLXBKUGDTHQDMS-LLVKDONJSA-N 1 0 238.375 2.095 10 0 BEAERO CSCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220943189 134314992 /nfs/dbraw/zinc/31/49/92/134314992.db2.gz NCTJSYLDBFTLOO-VIFPVBQESA-N 1 0 214.334 2.387 10 0 BEAERO c1coc([C@H]2CN(C3CCC3)CCO2)c1 ZINC000179583895 134321775 /nfs/dbraw/zinc/32/17/75/134321775.db2.gz FZZNZCCDLJTKHY-GFCCVEGCSA-N 1 0 207.273 2.205 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@@H+](C1CCC1)CC2 ZINC000179578357 134322034 /nfs/dbraw/zinc/32/20/34/134322034.db2.gz MKHITIKHFGUAQX-WCQYABFASA-N 1 0 209.333 2.166 10 0 BEAERO Cc1cccnc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000180455684 134327543 /nfs/dbraw/zinc/32/75/43/134327543.db2.gz GJMJSTVRUQCOJA-UHFFFAOYSA-N 1 0 245.370 2.060 10 0 BEAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000182176827 134342334 /nfs/dbraw/zinc/34/23/34/134342334.db2.gz MRIOYZYMHUVRGC-GHMZBOCLSA-N 1 0 209.289 2.451 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H]1CCSC1 ZINC000224377044 134346406 /nfs/dbraw/zinc/34/64/06/134346406.db2.gz WWMZDIYBTDJMJP-QWHCGFSZSA-N 1 0 244.448 2.305 10 0 BEAERO c1ccc2c(c1)COC[C@H]2[NH2+]CC1CCOCC1 ZINC000225999885 134358013 /nfs/dbraw/zinc/35/80/13/134358013.db2.gz CCWSWEXQSXLCEL-OAHLLOKOSA-N 1 0 247.338 2.274 10 0 BEAERO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000185591998 134382129 /nfs/dbraw/zinc/38/21/29/134382129.db2.gz ZVTFWQCZOGUEOU-RWMBFGLXSA-N 1 0 243.391 2.283 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000227569833 134383300 /nfs/dbraw/zinc/38/33/00/134383300.db2.gz WFDFHJHNHAZEJF-LLVKDONJSA-N 1 0 246.310 2.032 10 0 BEAERO OCC[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC000227567915 134383516 /nfs/dbraw/zinc/38/35/16/134383516.db2.gz XZHJTSPZVRPRDT-AWEZNQCLSA-N 1 0 249.354 2.160 10 0 BEAERO [NH3+]C[C@H]1c2ccccc2CCN1c1ccccn1 ZINC000227724723 134385557 /nfs/dbraw/zinc/38/55/57/134385557.db2.gz XLTABUOIBHHNJR-AWEZNQCLSA-N 1 0 239.322 2.144 10 0 BEAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1ccccn1 ZINC000227724720 134386216 /nfs/dbraw/zinc/38/62/16/134386216.db2.gz XLTABUOIBHHNJR-CQSZACIVSA-N 1 0 239.322 2.144 10 0 BEAERO C[C@@H]([NH2+]Cc1ccncc1)c1cncc(F)c1 ZINC000227772772 134393660 /nfs/dbraw/zinc/39/36/60/134393660.db2.gz PQLSXRBDSZKQBG-SNVBAGLBSA-N 1 0 231.274 2.467 10 0 BEAERO OCC[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000229350597 134451150 /nfs/dbraw/zinc/45/11/50/134451150.db2.gz OWIVLJPMCWGBQQ-LBPRGKRZSA-N 1 0 242.322 2.444 10 0 BEAERO CCCn1ccc(C[NH2+]C[C@H](O)C(C)C)c1 ZINC000229972669 134470807 /nfs/dbraw/zinc/47/08/07/134470807.db2.gz RPFLWPZXTQXZCR-ZDUSSCGKSA-N 1 0 224.348 2.005 10 0 BEAERO CC[C@H]1CCC[C@@H]([NH2+]CCc2nc(C)no2)C1 ZINC000230655836 134518608 /nfs/dbraw/zinc/51/86/08/134518608.db2.gz XGVDLSRRPUEYEJ-NWDGAFQWSA-N 1 0 237.347 2.479 10 0 BEAERO CCC(CC)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000192389299 134584299 /nfs/dbraw/zinc/58/42/99/134584299.db2.gz RCDSIEMIGJXWEP-LBPRGKRZSA-N 1 0 238.375 2.166 10 0 BEAERO CC[C@H](C)CN(CC)CC[NH2+]C(C)C ZINC000050425090 134661343 /nfs/dbraw/zinc/66/13/43/134661343.db2.gz LRYNONCCTZKAGZ-LBPRGKRZSA-N 1 0 200.370 2.352 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H](C)CC[NH3+] ZINC000134272709 134705965 /nfs/dbraw/zinc/70/59/65/134705965.db2.gz DSLOUEFFQPHPKM-VIFPVBQESA-N 1 0 230.315 2.087 10 0 BEAERO Cc1nc(C[N@@H+]2CCC[C@H]2CCCO)cs1 ZINC000052762768 134711997 /nfs/dbraw/zinc/71/19/97/134711997.db2.gz UXWLAOLHPVLMBQ-LBPRGKRZSA-N 1 0 240.372 2.188 10 0 BEAERO CCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000135514161 134748156 /nfs/dbraw/zinc/74/81/56/134748156.db2.gz GAJSZAWOFBENPD-OLZOCXBDSA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000248550166 135003636 /nfs/dbraw/zinc/00/36/36/135003636.db2.gz KGMBXMIFARLQQX-QWRGUYRKSA-N 1 0 222.336 2.378 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000248640254 135016841 /nfs/dbraw/zinc/01/68/41/135016841.db2.gz BQKYVUPLDRYBSD-MGPQQGTHSA-N 1 0 243.391 2.284 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)C[C@H](C)CC ZINC000248663584 135018121 /nfs/dbraw/zinc/01/81/21/135018121.db2.gz ZVCOFQIPKJZBQL-CHWSQXEVSA-N 1 0 231.380 2.142 10 0 BEAERO O=C(C[C@@H]1C=CCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000250123913 135049705 /nfs/dbraw/zinc/04/97/05/135049705.db2.gz JLDXYTUMIOQLNF-ZIAGYGMSSA-N 1 0 248.370 2.039 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2O)C1(C)C ZINC000250508418 135056011 /nfs/dbraw/zinc/05/60/11/135056011.db2.gz NEIMORNUZRWJHD-QNWHQSFQSA-N 1 0 241.375 2.083 10 0 BEAERO CC1(C)CC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000251112178 135064227 /nfs/dbraw/zinc/06/42/27/135064227.db2.gz CJMHUWPMBPWAFO-GRYCIOLGSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251342653 135069264 /nfs/dbraw/zinc/06/92/64/135069264.db2.gz AATKSLQXXCPTFZ-QJPTWQEYSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)CCOCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077657591 135072094 /nfs/dbraw/zinc/07/20/94/135072094.db2.gz BUJSCWNCXGPVHJ-STQMWFEESA-N 1 0 229.364 2.158 10 0 BEAERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000252180712 135085631 /nfs/dbraw/zinc/08/56/31/135085631.db2.gz SWCILJVUAZOETN-MXWKQRLJSA-N 1 0 227.348 2.304 10 0 BEAERO Cc1c(CNc2cnccc2C)cnn1C ZINC000086552093 135089698 /nfs/dbraw/zinc/08/96/98/135089698.db2.gz KEEQIPXQSXXEAU-UHFFFAOYSA-N 1 0 216.288 2.044 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cs1 ZINC000252687853 135096961 /nfs/dbraw/zinc/09/69/61/135096961.db2.gz MMFUUHVDEIOXLC-OYNCUSHFSA-N 1 0 226.345 2.280 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(=O)N2CCCC2)C1 ZINC000252729747 135104023 /nfs/dbraw/zinc/10/40/23/135104023.db2.gz ICWRNUJDKXNTMD-JHJVBQTASA-N 1 0 238.375 2.166 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)C1 ZINC000252799017 135111109 /nfs/dbraw/zinc/11/11/09/135111109.db2.gz QRJLTQRXVOGYSQ-UTUOFQBUSA-N 1 0 226.364 2.068 10 0 BEAERO c1ccc2cc(C[NH2+]C3COC3)ccc2c1 ZINC000087194954 135111518 /nfs/dbraw/zinc/11/15/18/135111518.db2.gz ZTWLIYUFBAGJDF-UHFFFAOYSA-N 1 0 213.280 2.328 10 0 BEAERO CC[C@H]1CCCCC[N@@H+]1C[C@H](C)C(=O)OC ZINC000252873111 135115074 /nfs/dbraw/zinc/11/50/74/135115074.db2.gz VJGCYUKUFFCIQP-RYUDHWBXSA-N 1 0 227.348 2.450 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C2COC2)cc1F ZINC000087284330 135116739 /nfs/dbraw/zinc/11/67/39/135116739.db2.gz CCEVGMDWXYIEKQ-SECBINFHSA-N 1 0 209.264 2.184 10 0 BEAERO COC[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253086511 135119964 /nfs/dbraw/zinc/11/99/64/135119964.db2.gz BQEUDUGSBOMBDB-IGQOVBAYSA-N 1 0 241.375 2.037 10 0 BEAERO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253088527 135120701 /nfs/dbraw/zinc/12/07/01/135120701.db2.gz FKZKMIAMKZYGPU-UPJWGTAASA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ncc(Cl)cc1F ZINC000087362313 135126743 /nfs/dbraw/zinc/12/67/43/135126743.db2.gz OJPBAVUENLTDAQ-ZETCQYMHSA-N 1 0 231.702 2.413 10 0 BEAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000259355108 135142930 /nfs/dbraw/zinc/14/29/30/135142930.db2.gz YXLXVTGJVLPVCO-CYBMUJFWSA-N 1 0 246.354 2.194 10 0 BEAERO Cc1ccc([C@H]2CCCN2CC[NH3+])s1 ZINC000261530938 135158837 /nfs/dbraw/zinc/15/88/37/135158837.db2.gz DNPIEPLTKDIGFY-SNVBAGLBSA-N 1 0 210.346 2.152 10 0 BEAERO [NH3+][C@@H]1CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533084 135163856 /nfs/dbraw/zinc/16/38/56/135163856.db2.gz KALUORYYDAPINQ-GHMZBOCLSA-N 1 0 232.318 2.235 10 0 BEAERO NC[C@H]1CCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261533074 135163998 /nfs/dbraw/zinc/16/39/98/135163998.db2.gz FSBRYYUMRHERDW-WDEREUQCSA-N 1 0 232.318 2.235 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1nc(C2CC2)ns1 ZINC000087780265 135169049 /nfs/dbraw/zinc/16/90/49/135169049.db2.gz HBTBSUDGTWETJF-VIFPVBQESA-N 1 0 240.376 2.345 10 0 BEAERO C[N@H+](C[C@@H]1CCCC(F)(F)C1)[C@@H](CN)C1CC1 ZINC000261538145 135175224 /nfs/dbraw/zinc/17/52/24/135175224.db2.gz IRSJDDXFEIPUBV-PWSUYJOCSA-N 1 0 246.345 2.481 10 0 BEAERO CC1(C)CN(Cc2ccsc2)CC[C@H]1[NH3+] ZINC000261538671 135176545 /nfs/dbraw/zinc/17/65/45/135176545.db2.gz YWPYRAGQXCVXLS-LLVKDONJSA-N 1 0 224.373 2.307 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261543076 135183965 /nfs/dbraw/zinc/18/39/65/135183965.db2.gz CSQYDPGXJATRPU-CHWSQXEVSA-N 1 0 238.375 2.310 10 0 BEAERO COc1ccccc1CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261551511 135190575 /nfs/dbraw/zinc/19/05/75/135190575.db2.gz WNJCGXLIEFXPBA-JSGCOSHPSA-N 1 0 248.370 2.254 10 0 BEAERO CC(C)c1cc(N2CC[C@H](C)C[C@H]2C[NH3+])ncn1 ZINC000261552058 135191288 /nfs/dbraw/zinc/19/12/88/135191288.db2.gz ZOTGCMIMZGQPCJ-RYUDHWBXSA-N 1 0 248.374 2.164 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1CCCCCCC1 ZINC000261557724 135198705 /nfs/dbraw/zinc/19/87/05/135198705.db2.gz RWEORZQUFJYHJA-YPMHNXCESA-N 1 0 238.375 2.295 10 0 BEAERO Cc1cccc(C)c1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163846507 135208386 /nfs/dbraw/zinc/20/83/86/135208386.db2.gz MKKZHTOJGQLUMO-NSHDSACASA-N 1 0 232.327 2.097 10 0 BEAERO COCC[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000084328030 135211105 /nfs/dbraw/zinc/21/11/05/135211105.db2.gz UQILUNOJJZKPQT-NSHDSACASA-N 1 0 223.316 2.035 10 0 BEAERO C[C@H]1CCCN(c2nccc3occc32)[C@H]1C[NH3+] ZINC000261574625 135216674 /nfs/dbraw/zinc/21/66/74/135216674.db2.gz MSQGOIHKLZHJGK-JQWIXIFHSA-N 1 0 245.326 2.391 10 0 BEAERO Cc1nc(N2CC[C@H]([NH3+])C(C)(C)C2)sc1C ZINC000261582021 135222892 /nfs/dbraw/zinc/22/28/92/135222892.db2.gz NYOPTUMNAOCIHY-JTQLQIEISA-N 1 0 239.388 2.324 10 0 BEAERO CCc1csc(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261588646 135229231 /nfs/dbraw/zinc/22/92/31/135229231.db2.gz SMZNNKNYJJBZTG-SNVBAGLBSA-N 1 0 239.388 2.269 10 0 BEAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCCCCCC1 ZINC000261546736 135239320 /nfs/dbraw/zinc/23/93/20/135239320.db2.gz HFIYRCHCKCKADM-CYBMUJFWSA-N 1 0 238.375 2.311 10 0 BEAERO C[C@H]1CCN(C(=O)CCC2CCC2)[C@@H](C[NH3+])C1 ZINC000261684699 135246005 /nfs/dbraw/zinc/24/60/05/135246005.db2.gz DMKNEVRPXOAFCM-WCQYABFASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000261752798 135249852 /nfs/dbraw/zinc/24/98/52/135249852.db2.gz MVZACGMIRIALKZ-WCFLWFBJSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261805037 135254570 /nfs/dbraw/zinc/25/45/70/135254570.db2.gz JDZLRTBYCWOSNL-RYUDHWBXSA-N 1 0 240.391 2.254 10 0 BEAERO CC[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(C)(C)C ZINC000261866027 135258408 /nfs/dbraw/zinc/25/84/08/135258408.db2.gz XKFDNNJBZACRFM-QJPTWQEYSA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)CC[C@H](NC(=O)C1C[NH2+]C1)C(C)(C)C ZINC000262173569 135283745 /nfs/dbraw/zinc/28/37/45/135283745.db2.gz CUUHMBCNWFMOAG-LBPRGKRZSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@H](CC1CC1)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263184216 135337787 /nfs/dbraw/zinc/33/77/87/135337787.db2.gz HDAVMIAIVVBPCR-SCDSUCTJSA-N 1 0 238.375 2.199 10 0 BEAERO c1cncc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000269901658 135364998 /nfs/dbraw/zinc/36/49/98/135364998.db2.gz FUKRSAMWHQDBHZ-BFHYXJOUSA-N 1 0 244.338 2.129 10 0 BEAERO C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000081002093 135385977 /nfs/dbraw/zinc/38/59/77/135385977.db2.gz CXUVBIUEQQTMME-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1conc1C ZINC000334174033 135398313 /nfs/dbraw/zinc/39/83/13/135398313.db2.gz BXHRGMODRHTQDB-KGLIPLIRSA-N 1 0 249.358 2.042 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000335676978 135422186 /nfs/dbraw/zinc/42/21/86/135422186.db2.gz AFGGHWGVULJDSB-PYNQCMFNSA-N 1 0 238.375 2.069 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000084226079 135469009 /nfs/dbraw/zinc/46/90/09/135469009.db2.gz URKWQPXAJDUFRF-AAEUAGOBSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@@H](C[NH3+])CNc1ncc(Cl)cc1Cl ZINC000084901572 135476318 /nfs/dbraw/zinc/47/63/18/135476318.db2.gz WPMNDISBFKICIK-LURJTMIESA-N 1 0 234.130 2.395 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(F)c1 ZINC000085357724 135482369 /nfs/dbraw/zinc/48/23/69/135482369.db2.gz ATUJQZDSECDTNI-ONGXEEELSA-N 1 0 236.290 2.200 10 0 BEAERO CSCCCC[NH2+][C@H]1CCSC1 ZINC000133596386 135492296 /nfs/dbraw/zinc/49/22/96/135492296.db2.gz YSDIQVQRDIAGKS-VIFPVBQESA-N 1 0 205.392 2.225 10 0 BEAERO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000348261898 136057801 /nfs/dbraw/zinc/05/78/01/136057801.db2.gz HKHANGVFQGSYKQ-SDDRHHMPSA-N 1 0 225.332 2.203 10 0 BEAERO Cc1cnc([C@H](C)NCC[C@@H]2CCC[N@@H+]2C)o1 ZINC000348361557 136072457 /nfs/dbraw/zinc/07/24/57/136072457.db2.gz SXMRFDFKJJPDRD-RYUDHWBXSA-N 1 0 237.347 2.118 10 0 BEAERO Cc1ccc(O)c(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000335596256 136105214 /nfs/dbraw/zinc/10/52/14/136105214.db2.gz GYGNIBSCMXIMBN-MNOVXSKESA-N 1 0 248.326 2.027 10 0 BEAERO CC(C)CN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037108591 166933476 /nfs/dbraw/zinc/93/34/76/166933476.db2.gz WLKIOZFEIPSCLP-AGIUHOORSA-N 1 0 238.375 2.022 10 0 BEAERO CCOc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)cc1 ZINC000295118452 397758497 /nfs/dbraw/zinc/75/84/97/397758497.db2.gz WZNLNGUIVHYVLL-WFASDCNBSA-N 1 0 249.354 2.431 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccncc1 ZINC000160990122 397773944 /nfs/dbraw/zinc/77/39/44/397773944.db2.gz BYSIZXZXWFNVKT-MRVWCRGKSA-N 1 0 234.343 2.426 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000300907637 397784472 /nfs/dbraw/zinc/78/44/72/397784472.db2.gz JRUYUNUHWYPYFL-IJLUTSLNSA-N 1 0 209.333 2.334 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccno2)CC1 ZINC000616686386 397928209 /nfs/dbraw/zinc/92/82/09/397928209.db2.gz JCZQZBGRELVKML-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO [NH3+][C@]1(c2ccns2)CCCSCC1 ZINC000575454454 397940941 /nfs/dbraw/zinc/94/09/41/397940941.db2.gz YJTMVAAJPXABRX-SECBINFHSA-N 1 0 214.359 2.214 10 0 BEAERO CCOC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000259579145 397960483 /nfs/dbraw/zinc/96/04/83/397960483.db2.gz UGHPCBUMEPQBJR-CYBMUJFWSA-N 1 0 233.311 2.330 10 0 BEAERO [NH3+][C@@H](C[C@H]1CCCCO1)c1ccsn1 ZINC000307160600 397992604 /nfs/dbraw/zinc/99/26/04/397992604.db2.gz DUCSAEFQTNZGOI-BDAKNGLRSA-N 1 0 212.318 2.102 10 0 BEAERO C[C@H](C[NH3+])Nc1cc(F)cc(Br)c1 ZINC000307165917 397997617 /nfs/dbraw/zinc/99/76/17/397997617.db2.gz NPGLVOSVSWUDFL-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000054073764 398025460 /nfs/dbraw/zinc/02/54/60/398025460.db2.gz WWNARNAQJQKVHS-OCCSQVGLSA-N 1 0 248.370 2.498 10 0 BEAERO CCCc1ccccc1NC(=O)[C@@H](C)[NH2+]C ZINC000054073391 398025647 /nfs/dbraw/zinc/02/56/47/398025647.db2.gz WZJFRFJYEBRMFE-SNVBAGLBSA-N 1 0 220.316 2.186 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000084232038 398039741 /nfs/dbraw/zinc/03/97/41/398039741.db2.gz KKTQFOZLCYPWKF-CHWSQXEVSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1cccc(Cl)c1 ZINC000037207584 397981645 /nfs/dbraw/zinc/98/16/45/397981645.db2.gz DTMOVEXQMGEPOO-SECBINFHSA-N 1 0 240.734 2.079 10 0 BEAERO [NH3+]C1(c2cccc(Cl)c2Cl)COC1 ZINC000575581239 397982622 /nfs/dbraw/zinc/98/26/22/397982622.db2.gz MHZLWVCGWVSOBP-UHFFFAOYSA-N 1 0 218.083 2.178 10 0 BEAERO [NH3+]Cc1ccc(F)c(-c2ccncc2)c1 ZINC000040231761 398076280 /nfs/dbraw/zinc/07/62/80/398076280.db2.gz SWQMUKBYCVUWEB-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO COc1cc2c(cc1F)CC[C@@H]([NH+](C)C)C2 ZINC000584626025 398079475 /nfs/dbraw/zinc/07/94/75/398079475.db2.gz DDOFGAJIZYWJKV-LLVKDONJSA-N 1 0 223.291 2.253 10 0 BEAERO c1ccc2oc(=NCCC3CC[NH2+]CC3)[nH]c2c1 ZINC000650311060 398094994 /nfs/dbraw/zinc/09/49/94/398094994.db2.gz LOOGXYCNCOCQSP-UHFFFAOYSA-N 1 0 245.326 2.051 10 0 BEAERO C[NH2+]Cc1nc2cc(Cl)c(C)cc2[nH]1 ZINC000584645771 398085741 /nfs/dbraw/zinc/08/57/41/398085741.db2.gz DTAZIQQRZJPHBN-UHFFFAOYSA-N 1 0 209.680 2.244 10 0 BEAERO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121344090 398087899 /nfs/dbraw/zinc/08/78/99/398087899.db2.gz GABDFEIAWIFYHV-UWVGGRQHSA-N 1 0 239.281 2.420 10 0 BEAERO c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116291737 398090194 /nfs/dbraw/zinc/09/01/94/398090194.db2.gz OTAOOEFELKNKAX-GFCCVEGCSA-N 1 0 231.299 2.313 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000401963860 533674809 /nfs/dbraw/zinc/67/48/09/533674809.db2.gz RDUMFDWRXVLNML-GMTAPVOTSA-N 1 0 233.302 2.125 10 0 BEAERO CC(C)COC(=O)C1([NH3+])CCCCCC1 ZINC000048634809 167020141 /nfs/dbraw/zinc/02/01/41/167020141.db2.gz COHSJHUTSMDKJR-UHFFFAOYSA-N 1 0 213.321 2.237 10 0 BEAERO CC(C)[NH2+]CC1(OC[C@@H]2CCOC2)CCCC1 ZINC000050501628 167099989 /nfs/dbraw/zinc/09/99/89/167099989.db2.gz LQWOVTRNQNAFKR-CYBMUJFWSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1ccc(F)c(F)c1 ZINC000135595694 167102822 /nfs/dbraw/zinc/10/28/22/167102822.db2.gz QRKCPCNCQVHUBN-UHFFFAOYSA-N 1 0 242.313 2.395 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@H](C2CC2)C1 ZINC000377587737 167104345 /nfs/dbraw/zinc/10/43/45/167104345.db2.gz ZDMIEHRGBCBFLX-ZDUSSCGKSA-N 1 0 210.365 2.106 10 0 BEAERO CC(C)[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C1CC1 ZINC000324274506 487567275 /nfs/dbraw/zinc/56/72/75/487567275.db2.gz ONBSYVASRGJSKG-UHTWSYAYSA-N 1 0 211.349 2.436 10 0 BEAERO COC1(C)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000393830007 487587640 /nfs/dbraw/zinc/58/76/40/487587640.db2.gz JGSDNYPMTPKKMK-OLZOCXBDSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1ccsc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000084446509 322913315 /nfs/dbraw/zinc/91/33/15/322913315.db2.gz ZLDUPPAZEHYIOB-KPPDAEKUSA-N 1 0 225.357 2.478 10 0 BEAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000370417012 167269987 /nfs/dbraw/zinc/26/99/87/167269987.db2.gz VYXBAOQOFSZMOP-MGPQQGTHSA-N 1 0 241.375 2.037 10 0 BEAERO C[NH2+][C@@H](C)CNCc1ccsc1Cl ZINC000312751281 322920582 /nfs/dbraw/zinc/92/05/82/322920582.db2.gz WXSZHDQYLKAREQ-ZETCQYMHSA-N 1 0 218.753 2.099 10 0 BEAERO Clc1sccc1CNC[C@@H]1CC[NH2+]C1 ZINC000312760557 322922323 /nfs/dbraw/zinc/92/23/23/322922323.db2.gz HWJPODWZKRMMKP-MRVPVSSYSA-N 1 0 230.764 2.101 10 0 BEAERO CC(C)[C@@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662347762 409664882 /nfs/dbraw/zinc/66/48/82/409664882.db2.gz NACIENGGJXWYMC-SNVBAGLBSA-N 1 0 232.327 2.064 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662446203 409721985 /nfs/dbraw/zinc/72/19/85/409721985.db2.gz KFGYRLWNSWEKDU-BPNCWPANSA-N 1 0 246.354 2.164 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000308946168 409965872 /nfs/dbraw/zinc/96/58/72/409965872.db2.gz WFXIMQAVEXQWHZ-FRRDWIJNSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@]1(CO)CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000558118148 409993261 /nfs/dbraw/zinc/99/32/61/409993261.db2.gz BHVRMZVHMVNMAT-DZGCQCFKSA-N 1 0 231.339 2.173 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000663279103 410094754 /nfs/dbraw/zinc/09/47/54/410094754.db2.gz OWFQLGYZYIPGRJ-SSDOTTSWSA-N 1 0 233.237 2.120 10 0 BEAERO [NH3+]Cc1c[nH]nc1-c1csc(Cl)c1 ZINC000236181354 410100461 /nfs/dbraw/zinc/10/04/61/410100461.db2.gz MCVNELCQGWILQJ-UHFFFAOYSA-N 1 0 213.693 2.250 10 0 BEAERO Brc1ccc(C2CC[NH2+]CC2)cn1 ZINC000044121992 166097638 /nfs/dbraw/zinc/09/76/38/166097638.db2.gz HDAXXOGIBXYALT-UHFFFAOYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccc([C@@H]2CC[NH2+]C2)o1 ZINC000082370065 166099219 /nfs/dbraw/zinc/09/92/19/166099219.db2.gz CVQQXSTYIQLGMR-ZCFIWIBFSA-N 1 0 216.078 2.119 10 0 BEAERO Brc1cccc([C@@H]2[NH2+]CCCO2)c1 ZINC000049830858 166101311 /nfs/dbraw/zinc/10/13/11/166101311.db2.gz VIVBYMPAUYINMV-SNVBAGLBSA-N 1 0 242.116 2.458 10 0 BEAERO Brc1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000095827093 166102105 /nfs/dbraw/zinc/10/21/05/166102105.db2.gz QSJYEKJIUXRSGK-QMMMGPOBSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccccc1[C@]12C[C@H]1C[NH2+]C2 ZINC000082329790 166102457 /nfs/dbraw/zinc/10/24/57/166102457.db2.gz UGLGCYIEUFPTSU-KWQFWETISA-N 1 0 238.128 2.310 10 0 BEAERO CC1CC(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])C1 ZINC000653238630 410181233 /nfs/dbraw/zinc/18/12/33/410181233.db2.gz RTQBBJJOKDUFBL-POOIEITISA-N 1 0 238.375 2.008 10 0 BEAERO Brc1ccccc1N[C@@H]1CC[NH2+]C1 ZINC000084193085 166103080 /nfs/dbraw/zinc/10/30/80/166103080.db2.gz JXBDLIQRCYARQP-MRVPVSSYSA-N 1 0 241.132 2.223 10 0 BEAERO Brc1occc1[C@H]1CCC[NH2+]1 ZINC000083299389 166108239 /nfs/dbraw/zinc/10/82/39/166108239.db2.gz QFQGFESNHCCHLJ-SSDOTTSWSA-N 1 0 216.078 2.467 10 0 BEAERO C[C@@H](C[NH3+])CNc1nccc2ccccc21 ZINC000123806556 410301558 /nfs/dbraw/zinc/30/15/58/410301558.db2.gz GNLWYBMEISMPBK-JTQLQIEISA-N 1 0 215.300 2.242 10 0 BEAERO CC[C@H](C)[C@H](C[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000394461758 410459233 /nfs/dbraw/zinc/45/92/33/410459233.db2.gz VTYIZALLFPSHKM-SRVKXCTJSA-N 1 0 231.380 2.044 10 0 BEAERO CC(C)C1(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000225521907 487616563 /nfs/dbraw/zinc/61/65/63/487616563.db2.gz USOJDKGUDARWGQ-UHFFFAOYSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000052044029 166611209 /nfs/dbraw/zinc/61/12/09/166611209.db2.gz LIADIOCANWDKCV-VXGBXAGGSA-N 1 0 231.343 2.455 10 0 BEAERO CC(C)(C)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037882933 166634068 /nfs/dbraw/zinc/63/40/68/166634068.db2.gz MXNYWKMRZQJPOI-LLVKDONJSA-N 1 0 229.270 2.386 10 0 BEAERO CC(C)(C)[NH2+]Cc1cccc(OCCCO)c1 ZINC000062731397 166634890 /nfs/dbraw/zinc/63/48/90/166634890.db2.gz GVGKPNXVFLQNDY-UHFFFAOYSA-N 1 0 237.343 2.336 10 0 BEAERO CC(C)(C)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000055029618 166635969 /nfs/dbraw/zinc/63/59/69/166635969.db2.gz MSGOCHSWSKHFEU-CQSZACIVSA-N 1 0 219.328 2.209 10 0 BEAERO CC(C)(C)OC(=O)NC1CC2=C(CC([NH3+])C2)C1 ZINC000012506812 166660123 /nfs/dbraw/zinc/66/01/23/166660123.db2.gz XRPLSBVORDQYDQ-UHFFFAOYSA-N 1 0 238.331 2.091 10 0 BEAERO CC(C)C1([NH2+][C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000339507802 166754955 /nfs/dbraw/zinc/75/49/55/166754955.db2.gz FVEBRRHNNQBEKN-NSHDSACASA-N 1 0 238.375 2.212 10 0 BEAERO Fc1cncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000393906276 410765225 /nfs/dbraw/zinc/76/52/25/410765225.db2.gz HNBPBEITHYDGKW-CYZMBNFOSA-N 1 0 220.291 2.499 10 0 BEAERO CC(C)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000336684994 166812736 /nfs/dbraw/zinc/81/27/36/166812736.db2.gz KBYZSJRZPXEHMT-NSHDSACASA-N 1 0 201.354 2.419 10 0 BEAERO [NH3+]C[C@H]1CCCN1C[C@H]1CCCCC1(F)F ZINC000394538824 410803208 /nfs/dbraw/zinc/80/32/08/410803208.db2.gz WHQBGXOUBSPVNB-GHMZBOCLSA-N 1 0 232.318 2.235 10 0 BEAERO CC[NH+](CC)CCCNC(=O)N[C@@H](C)C(C)C ZINC000125545132 169773856 /nfs/dbraw/zinc/77/38/56/169773856.db2.gz QBZDEQUKPXTHLS-LBPRGKRZSA-N 1 0 243.395 2.062 10 0 BEAERO CC(C)CCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084662 166916167 /nfs/dbraw/zinc/91/61/67/166916167.db2.gz QQIXEPCMNMJXDZ-NSHDSACASA-N 1 0 237.347 2.200 10 0 BEAERO Cc1sccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000309052438 410853162 /nfs/dbraw/zinc/85/31/62/410853162.db2.gz QODZZSXBYZKPFO-NEPJUHHUSA-N 1 0 225.357 2.450 10 0 BEAERO CC(C)CN(C(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000037806753 166923347 /nfs/dbraw/zinc/92/33/47/166923347.db2.gz VAKVWWWRMLTHOT-UHFFFAOYSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396590137 410889404 /nfs/dbraw/zinc/88/94/04/410889404.db2.gz JHBPOEZMYCVWSQ-LPWJVIDDSA-N 1 0 210.365 2.295 10 0 BEAERO CC(C)C[NH2+]CCCN(C)Cc1cccnc1 ZINC000052479420 167002579 /nfs/dbraw/zinc/00/25/79/167002579.db2.gz OSEQJXBEYKTITH-UHFFFAOYSA-N 1 0 235.375 2.149 10 0 BEAERO CC(C)C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000057353455 167005144 /nfs/dbraw/zinc/00/51/44/167005144.db2.gz LXCZWPABIOKPEC-UHFFFAOYSA-N 1 0 217.316 2.351 10 0 BEAERO CC(C)C[NH2+]C[C@H]1CCCN1Cc1ccncc1 ZINC000053649992 167007575 /nfs/dbraw/zinc/00/75/75/167007575.db2.gz RDCXHXJRUZBDHG-OAHLLOKOSA-N 1 0 247.386 2.292 10 0 BEAERO CC(C)C[NH2+]Cc1cnc(Cc2ccncc2)[nH]1 ZINC000062821675 167008753 /nfs/dbraw/zinc/00/87/53/167008753.db2.gz VXBQKSGTKVDMBP-UHFFFAOYSA-N 1 0 244.342 2.141 10 0 BEAERO CC(C)C[NH2+]Cc1ccc2c(c1)CCN2 ZINC000040408667 167010451 /nfs/dbraw/zinc/01/04/51/167010451.db2.gz RKVDTWHATVRFEF-UHFFFAOYSA-N 1 0 204.317 2.400 10 0 BEAERO CC(C)C[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000035229506 167012715 /nfs/dbraw/zinc/01/27/15/167012715.db2.gz YCOUYGRPGHTKAM-NSHDSACASA-N 1 0 236.363 2.311 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000155563334 167028384 /nfs/dbraw/zinc/02/83/84/167028384.db2.gz AJFOQEDAKZSYLT-OCCSQVGLSA-N 1 0 246.354 2.145 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)NC[C@H]1c1ccccc1 ZINC000062608947 167032277 /nfs/dbraw/zinc/03/22/77/167032277.db2.gz JABAQTDHBSGHPY-JSGCOSHPSA-N 1 0 218.344 2.430 10 0 BEAERO CC(C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000052044022 167034635 /nfs/dbraw/zinc/03/46/35/167034635.db2.gz UOSRSAVQPYORIM-VXGBXAGGSA-N 1 0 217.316 2.065 10 0 BEAERO CC(C)[NH2+]C1(c2nccs2)CCOCC1 ZINC000041061563 167093878 /nfs/dbraw/zinc/09/38/78/167093878.db2.gz AOLHPHYPIBMKPZ-UHFFFAOYSA-N 1 0 226.345 2.147 10 0 BEAERO CC(C)[NH2+]CC(C)(C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000051209718 167096500 /nfs/dbraw/zinc/09/65/00/167096500.db2.gz NPWLRIHHRUEMFC-CHWSQXEVSA-N 1 0 242.407 2.120 10 0 BEAERO CC(C)[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000020525445 167101667 /nfs/dbraw/zinc/10/16/67/167101667.db2.gz HEMJDBGWWXNZRU-UHFFFAOYSA-N 1 0 237.299 2.182 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1cccc(F)c1 ZINC000037477278 167105065 /nfs/dbraw/zinc/10/50/65/167105065.db2.gz QFEJSGRBICJKDV-UHFFFAOYSA-N 1 0 224.323 2.256 10 0 BEAERO CC(C)[NH2+]CCN1CCC(C2CC2)CC1 ZINC000368331405 167105149 /nfs/dbraw/zinc/10/51/49/167105149.db2.gz NTOMCNLDSNPCGF-UHFFFAOYSA-N 1 0 210.365 2.106 10 0 BEAERO CC(C)[NH2+]C[C@H](C(C)C)N1CCCCC1 ZINC000052421137 167113209 /nfs/dbraw/zinc/11/32/09/167113209.db2.gz VDECZGOZQBBDNB-CYBMUJFWSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCN1Cc1ccccn1 ZINC000053648940 167114621 /nfs/dbraw/zinc/11/46/21/167114621.db2.gz MUYPHQHKTKJWDH-CQSZACIVSA-N 1 0 233.359 2.044 10 0 BEAERO CC(C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000049900294 167119033 /nfs/dbraw/zinc/11/90/33/167119033.db2.gz UOQSIDBCSGUZTI-UHFFFAOYSA-N 1 0 248.370 2.017 10 0 BEAERO CC(C)[NH2+]Cc1cnc(-c2cnccn2)s1 ZINC000040996755 167121437 /nfs/dbraw/zinc/12/14/37/167121437.db2.gz MUAVVIUDNPXLHD-UHFFFAOYSA-N 1 0 234.328 2.098 10 0 BEAERO CC(C)[NH2+][C@@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037869427 167129464 /nfs/dbraw/zinc/12/94/64/167129464.db2.gz RPESFMZVCRZMHQ-CYBMUJFWSA-N 1 0 234.343 2.334 10 0 BEAERO CC(C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000035229475 167133125 /nfs/dbraw/zinc/13/31/25/167133125.db2.gz HHXDEBKOAGGNOR-JTQLQIEISA-N 1 0 222.336 2.064 10 0 BEAERO CC(C)[NH2+][C@H](CN)c1ccc(OC(F)F)cc1 ZINC000050270787 167139434 /nfs/dbraw/zinc/13/94/34/167139434.db2.gz HIFNDHOONVHYAO-LLVKDONJSA-N 1 0 244.285 2.286 10 0 BEAERO CC(C)N[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711588 167139527 /nfs/dbraw/zinc/13/95/27/167139527.db2.gz TTXJRELZAYEQAN-SNVBAGLBSA-N 1 0 232.249 2.102 10 0 BEAERO CC(C)[NH2+][C@H](c1nccs1)[C@H]1CCOC1 ZINC000041061539 167140394 /nfs/dbraw/zinc/14/03/94/167140394.db2.gz QPOUZYMXHRVKSY-UWVGGRQHSA-N 1 0 226.345 2.219 10 0 BEAERO CC(C)[NH2+][C@H]1CCOc2cc3c(cc21)OCO3 ZINC000035654451 167141160 /nfs/dbraw/zinc/14/11/60/167141160.db2.gz RAVHKCDGVSHINJ-JTQLQIEISA-N 1 0 235.283 2.237 10 0 BEAERO CC(C)OC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222942 167165882 /nfs/dbraw/zinc/16/58/82/167165882.db2.gz VMFZWUIGSWSQMR-UHFFFAOYSA-N 1 0 208.261 2.102 10 0 BEAERO CC(C)Oc1cc(C[NH3+])cc(OC2CC2)c1 ZINC000095737732 167284205 /nfs/dbraw/zinc/28/42/05/167284205.db2.gz NGZPHYRDHFAIIY-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)Oc1ccc([C@@H](O)CC[NH+](C)C)cc1 ZINC000041146312 167299409 /nfs/dbraw/zinc/29/94/09/167299409.db2.gz JLVDDJSJYOCSBL-AWEZNQCLSA-N 1 0 237.343 2.459 10 0 BEAERO CC(C)Oc1ccc([C@]2(C)C[C@@H]2[NH3+])cc1 ZINC000052126232 167303178 /nfs/dbraw/zinc/30/31/78/167303178.db2.gz CCPMRCYUDRNFIW-STQMWFEESA-N 1 0 205.301 2.463 10 0 BEAERO CC(C)Oc1ccc2nc(C[NH3+])ccc2c1 ZINC000062572126 167305485 /nfs/dbraw/zinc/30/54/85/167305485.db2.gz SXAJCYLNIWKYKS-UHFFFAOYSA-N 1 0 216.284 2.481 10 0 BEAERO CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CC2)c1 ZINC000033465497 167308400 /nfs/dbraw/zinc/30/84/00/167308400.db2.gz WSZHVTHVPIGQPX-AWEZNQCLSA-N 1 0 235.327 2.259 10 0 BEAERO CC(C)Oc1nc2c(cc1C[NH3+])CCCC2 ZINC000043409958 167314003 /nfs/dbraw/zinc/31/40/03/167314003.db2.gz IAWUKTOUVQZCQK-UHFFFAOYSA-N 1 0 220.316 2.206 10 0 BEAERO CC(C)[C@@H](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183327374 167356560 /nfs/dbraw/zinc/35/65/60/167356560.db2.gz FCSUBZWCJYMAAW-LBPRGKRZSA-N 1 0 240.391 2.175 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000236659798 167357821 /nfs/dbraw/zinc/35/78/21/167357821.db2.gz MXTBFCFGZVRAAJ-WCQYABFASA-N 1 0 228.380 2.158 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)C1([NH3+])CCCCC1 ZINC000037504747 167362517 /nfs/dbraw/zinc/36/25/17/167362517.db2.gz CKKDILQTVBUHGO-LLVKDONJSA-N 1 0 226.364 2.151 10 0 BEAERO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)c1cccc(N)c1 ZINC000051326302 167367590 /nfs/dbraw/zinc/36/75/90/167367590.db2.gz RIJATVOUXAGYFQ-RISCZKNCSA-N 1 0 236.359 2.279 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccccn1 ZINC000049195688 167394674 /nfs/dbraw/zinc/39/46/74/167394674.db2.gz GHNVCADAYLPREW-TZMCWYRMSA-N 1 0 235.375 2.318 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+]C1Cc2ccccc2C1 ZINC000049197685 167395534 /nfs/dbraw/zinc/39/55/34/167395534.db2.gz HLJGXZQYJNPQOT-MRXNPFEDSA-N 1 0 246.398 2.330 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=O)c1ccc2c(c1)OCCCO2 ZINC000036172008 167417372 /nfs/dbraw/zinc/41/73/72/167417372.db2.gz LNTBGLDEPCWYGX-CYBMUJFWSA-N 1 0 249.310 2.014 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000019506319 167418320 /nfs/dbraw/zinc/41/83/20/167418320.db2.gz ZQHQVGFYRBCLNP-SNVBAGLBSA-N 1 0 246.232 2.026 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)CCC(C)(C)C ZINC000399832086 411065643 /nfs/dbraw/zinc/06/56/43/411065643.db2.gz ZDMOBGMJEPZHHR-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@@H]1C[N@@H+](C[C@H]2Cc3ccccc32)C[C@H](C)[C@H]1O ZINC000661620065 411067613 /nfs/dbraw/zinc/06/76/13/411067613.db2.gz FZUBUMOKJFZFRD-FIRUKDTASA-N 1 0 245.366 2.275 10 0 BEAERO Cc1cc2ccccc2nc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300093477 411080905 /nfs/dbraw/zinc/08/09/05/411080905.db2.gz VWCCHSSBQADHIX-DGCLKSJQSA-N 1 0 241.338 2.327 10 0 BEAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(N)=O)cc1 ZINC000035138482 167612191 /nfs/dbraw/zinc/61/21/91/167612191.db2.gz SMQLVNPHQHVTMH-GHMZBOCLSA-N 1 0 234.343 2.334 10 0 BEAERO CC(C)c1ccn(-c2ccccc2C(N)=[NH2+])n1 ZINC000052884369 167645706 /nfs/dbraw/zinc/64/57/06/167645706.db2.gz SBOPEIDLKPTWCH-UHFFFAOYSA-N 1 0 228.299 2.280 10 0 BEAERO CC[C@@H](NC(=O)C1(C[NH3+])CCCC1)C(C)C ZINC000044763605 411139737 /nfs/dbraw/zinc/13/97/37/411139737.db2.gz CXELBXWWQCKILJ-LLVKDONJSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)c1csc([C@@H]([NH3+])[C@H]2CCOC2)n1 ZINC000041060057 167653526 /nfs/dbraw/zinc/65/35/26/167653526.db2.gz IHYVERNUUGOXGR-WPRPVWTQSA-N 1 0 226.345 2.303 10 0 BEAERO C[C@@H]([NH3+])CNc1ccc2ccc(F)cc2n1 ZINC000212275601 411145112 /nfs/dbraw/zinc/14/51/12/411145112.db2.gz ALEUDMDSLAJGKX-MRVPVSSYSA-N 1 0 219.263 2.133 10 0 BEAERO OCC1CC([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000658356880 411156672 /nfs/dbraw/zinc/15/66/72/411156672.db2.gz PXYTWNCJBKBQKV-UHFFFAOYSA-N 1 0 249.329 2.432 10 0 BEAERO C[C@@H](NC(=O)CCCC[NH3+])c1cccs1 ZINC000069733067 411158319 /nfs/dbraw/zinc/15/83/19/411158319.db2.gz RBSJREOQJDBXGZ-SECBINFHSA-N 1 0 226.345 2.054 10 0 BEAERO CC(C)c1nnc(C2CC[NH2+]CC2)s1 ZINC000082533576 167703316 /nfs/dbraw/zinc/70/33/16/167703316.db2.gz AYDVTDAXIDYXIR-UHFFFAOYSA-N 1 0 211.334 2.129 10 0 BEAERO CC1CCC(C[NH2+]CCCN2CCC2)CC1 ZINC000655753919 411184538 /nfs/dbraw/zinc/18/45/38/411184538.db2.gz CROJCLWEUIHYOC-UHFFFAOYSA-N 1 0 224.392 2.498 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000658353324 411243900 /nfs/dbraw/zinc/24/39/00/411243900.db2.gz LRJHSIYJEZAKHH-MBRGGSNBSA-N 1 0 247.338 2.130 10 0 BEAERO Cc1cnc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000300711948 411189510 /nfs/dbraw/zinc/18/95/10/411189510.db2.gz CFEFUFSYDDKCEY-ADEWGFFLSA-N 1 0 237.347 2.116 10 0 BEAERO CC(C)CC[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128932919 411192543 /nfs/dbraw/zinc/19/25/43/411192543.db2.gz YCAWLMNKPJHYAZ-NEPJUHHUSA-N 1 0 228.380 2.301 10 0 BEAERO CC[NH+](CC)c1ccc(NC[C@H](C)C(N)=O)cc1 ZINC000062996251 169804331 /nfs/dbraw/zinc/80/43/31/169804331.db2.gz LJXDIAVVKFDMQC-NSHDSACASA-N 1 0 249.358 2.066 10 0 BEAERO CCC[C@@H](CC)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129028785 411209854 /nfs/dbraw/zinc/20/98/54/411209854.db2.gz WQONOECTYVLWIF-MNOVXSKESA-N 1 0 214.353 2.055 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccn2)CS1 ZINC000655683272 411223945 /nfs/dbraw/zinc/22/39/45/411223945.db2.gz BRNPHGSQRNCDSB-ZYHUDNBSSA-N 1 0 222.357 2.455 10 0 BEAERO CCN(CC)c1ccc2c(c1)C[NH2+]CC2 ZINC000082799364 169805274 /nfs/dbraw/zinc/80/52/74/169805274.db2.gz GAHRWMLQRJCNFG-UHFFFAOYSA-N 1 0 204.317 2.179 10 0 BEAERO CC[C@H](C)C[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129109531 411230147 /nfs/dbraw/zinc/23/01/47/411230147.db2.gz KUXSXQXYPMRXIU-TUAOUCFPSA-N 1 0 228.380 2.301 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C(C)C ZINC000129114753 411230182 /nfs/dbraw/zinc/23/01/82/411230182.db2.gz IDGPTGKSSFIXSZ-VXGBXAGGSA-N 1 0 226.364 2.007 10 0 BEAERO CC[C@H](C)CN(CC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000129132296 411231962 /nfs/dbraw/zinc/23/19/62/411231962.db2.gz PNCWKPXDAXJPKW-NWDGAFQWSA-N 1 0 228.380 2.254 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC1(C)C ZINC000129135335 411232403 /nfs/dbraw/zinc/23/24/03/411232403.db2.gz GKVPZYOKROZGRF-WDEREUQCSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)N(CC1CC1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000310577407 411242195 /nfs/dbraw/zinc/24/21/95/411242195.db2.gz QAGXBNZIUABCJQ-CYBMUJFWSA-N 1 0 238.375 2.166 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000660147119 411262611 /nfs/dbraw/zinc/26/26/11/411262611.db2.gz MIZFXKKGIRGOEJ-GMTAPVOTSA-N 1 0 233.302 2.125 10 0 BEAERO c1cc2cnccc2c(C[NH2+][C@@H]2CCOC2)c1 ZINC000131288740 411285834 /nfs/dbraw/zinc/28/58/34/411285834.db2.gz LJXLXIDSQYAUBV-CYBMUJFWSA-N 1 0 228.295 2.113 10 0 BEAERO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCOC1 ZINC000129428152 411286884 /nfs/dbraw/zinc/28/68/84/411286884.db2.gz FVIUIDZKIGDCOD-BXUZGUMPSA-N 1 0 217.312 2.361 10 0 BEAERO C[NH2+][C@@H](C)c1ccncc1Br ZINC000238335231 411295017 /nfs/dbraw/zinc/29/50/17/411295017.db2.gz GFHCDVNFANIQAO-LURJTMIESA-N 1 0 215.094 2.125 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616612622 411295526 /nfs/dbraw/zinc/29/55/26/411295526.db2.gz GHOSOJHPFLUAII-GFCCVEGCSA-N 1 0 227.311 2.439 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C2CC(CO)C2)[C@@H]1C ZINC000658355555 411298267 /nfs/dbraw/zinc/29/82/67/411298267.db2.gz IMBBJGROVUSHLQ-KRDKVTMHSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000214597848 411298386 /nfs/dbraw/zinc/29/83/86/411298386.db2.gz SPGVTEROYCHWOY-RWMBFGLXSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658236558 411306219 /nfs/dbraw/zinc/30/62/19/411306219.db2.gz JLESNLPMKGGCLV-ONERCXAPSA-N 1 0 247.338 2.394 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658237706 411306639 /nfs/dbraw/zinc/30/66/39/411306639.db2.gz CEOTUDIQULQZHT-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO c1ccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656608850 411307801 /nfs/dbraw/zinc/30/78/01/411307801.db2.gz NMMBZLRXEZNCDZ-AWEZNQCLSA-N 1 0 245.370 2.298 10 0 BEAERO Cc1nc(NCC2([NH3+])CCCC2)sc1C ZINC000656610432 411308905 /nfs/dbraw/zinc/30/89/05/411308905.db2.gz FWMDBLSXYYZVFT-UHFFFAOYSA-N 1 0 225.361 2.443 10 0 BEAERO OC1(C[NH+]2CCCCCC2)CCSCC1 ZINC000656692425 411331398 /nfs/dbraw/zinc/33/13/98/411331398.db2.gz XLVNYXJUCDGQME-UHFFFAOYSA-N 1 0 229.389 2.121 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701313 411325567 /nfs/dbraw/zinc/32/55/67/411325567.db2.gz NQUVEWQQXTWKQF-MJBXVCDLSA-N 1 0 241.375 2.038 10 0 BEAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000308857950 167937460 /nfs/dbraw/zinc/93/74/60/167937460.db2.gz UMAINQMMVXLDHQ-SRVKXCTJSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000050565438 411259092 /nfs/dbraw/zinc/25/90/92/411259092.db2.gz HOEODLWWEMKNJA-ZFDZMSFRSA-N 1 0 238.375 2.151 10 0 BEAERO CCCCN(CC)C(=O)C[C@H]([NH3+])C(C)C ZINC000128863260 411259938 /nfs/dbraw/zinc/25/99/38/411259938.db2.gz MUNWWTCCSQNEDF-NSHDSACASA-N 1 0 214.353 2.008 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1F ZINC000128868938 411260918 /nfs/dbraw/zinc/26/09/18/411260918.db2.gz LTZXBHPSSRBUIU-JTQLQIEISA-N 1 0 224.279 2.138 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000118979897 411261090 /nfs/dbraw/zinc/26/10/90/411261090.db2.gz PUIGXVYHUKXGLJ-OAHLLOKOSA-N 1 0 249.354 2.214 10 0 BEAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000128872709 411261179 /nfs/dbraw/zinc/26/11/79/411261179.db2.gz KOCYFKWBCKCKDB-GFCCVEGCSA-N 1 0 220.316 2.307 10 0 BEAERO C[C@@H](Cc1ccsc1)[NH2+]C1CC(CO)C1 ZINC000658350558 411352115 /nfs/dbraw/zinc/35/21/15/411352115.db2.gz GGMFKMLTRIPNQF-GCVQQVDUSA-N 1 0 225.357 2.040 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)s1 ZINC000658350655 411352131 /nfs/dbraw/zinc/35/21/31/411352131.db2.gz GYGDBNQBHXVOHA-KPPDAEKUSA-N 1 0 225.357 2.478 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CC(CO)C1)CC2 ZINC000658351168 411353256 /nfs/dbraw/zinc/35/32/56/411353256.db2.gz KPULDPODUSYOLS-QHAMSDLMSA-N 1 0 247.338 2.043 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+]C1CC(CO)C1)CC2 ZINC000658351166 411354063 /nfs/dbraw/zinc/35/40/63/411354063.db2.gz KPULDPODUSYOLS-MBRGGSNBSA-N 1 0 247.338 2.043 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCc3occc32)C1 ZINC000658351836 411354095 /nfs/dbraw/zinc/35/40/95/411354095.db2.gz ASNCGZASGXUIBV-RTYFJBAXSA-N 1 0 221.300 2.018 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCC23CCC3)C1 ZINC000658352396 411354656 /nfs/dbraw/zinc/35/46/56/411354656.db2.gz GAMPUFCBQUVNIR-MCIGGMRASA-N 1 0 209.333 2.070 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1ncnc2c1CCCC2 ZINC000130593903 411358837 /nfs/dbraw/zinc/35/88/37/411358837.db2.gz GOZUBPBYQBQNTG-LLVKDONJSA-N 1 0 248.374 2.285 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@]1(C)CO ZINC000662143039 411366757 /nfs/dbraw/zinc/36/67/57/411366757.db2.gz MSWQXDVVFOGSHA-XNRPHZJLSA-N 1 0 245.366 2.277 10 0 BEAERO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309518821 167996864 /nfs/dbraw/zinc/99/68/64/167996864.db2.gz ZKSLJFZPVSRBSB-WISYIIOYSA-N 1 0 229.339 2.264 10 0 BEAERO CC1(C)[C@H]([NH3+])C[C@@H]1OCc1ccccc1 ZINC000085520704 168003063 /nfs/dbraw/zinc/00/30/63/168003063.db2.gz CXYDSYBZISZBRQ-NEPJUHHUSA-N 1 0 205.301 2.329 10 0 BEAERO CC1(C)[C@H]([NH2+]CCCOC(F)F)[C@@H]2CCO[C@@H]21 ZINC000373863497 168014389 /nfs/dbraw/zinc/01/43/89/168014389.db2.gz BVYATMGIVZEYBI-AEJSXWLSSA-N 1 0 249.301 2.019 10 0 BEAERO CC1(C[C@H]([NH3+])c2ccc(Cl)cc2)OCCO1 ZINC000041285763 168050826 /nfs/dbraw/zinc/05/08/26/168050826.db2.gz WYTFKKNBUWKGPS-NSHDSACASA-N 1 0 241.718 2.493 10 0 BEAERO CC1(CO)CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000287878542 168050991 /nfs/dbraw/zinc/05/09/91/168050991.db2.gz SSGIACDSVIJMSP-AWEZNQCLSA-N 1 0 245.366 2.421 10 0 BEAERO CC1(c2nc(-c3cccs3)no2)CC[NH2+]CC1 ZINC000062843183 168073256 /nfs/dbraw/zinc/07/32/56/168073256.db2.gz IVXLCWCHPPBGEB-UHFFFAOYSA-N 1 0 249.339 2.439 10 0 BEAERO CC1(c2nncn2C2CCCCC2)CC[NH2+]CC1 ZINC000062843491 168073855 /nfs/dbraw/zinc/07/38/55/168073855.db2.gz SFMULMLEXWNLMO-UHFFFAOYSA-N 1 0 248.374 2.424 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000285154229 168120092 /nfs/dbraw/zinc/12/00/92/168120092.db2.gz MIFMADZQOAJSOO-ZDUSSCGKSA-N 1 0 219.332 2.280 10 0 BEAERO CC1CC([NH2+]Cc2cn3c(n2)CCCC3)C1 ZINC000309783235 168146624 /nfs/dbraw/zinc/14/66/24/168146624.db2.gz NJUHMZMNSIFOSS-UHFFFAOYSA-N 1 0 219.332 2.108 10 0 BEAERO CC1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000123345411 168147362 /nfs/dbraw/zinc/14/73/62/168147362.db2.gz AFBDGDOCMSEXJD-MYXTYHMWSA-N 1 0 222.376 2.295 10 0 BEAERO C[C@H]1CC[N@@H+](C2(CN)CCC(C)CC2)C1 ZINC000040717202 168154153 /nfs/dbraw/zinc/15/41/53/168154153.db2.gz RSCQZUHETVAWTC-CPCZMJQVSA-N 1 0 210.365 2.236 10 0 BEAERO CC1CCC(CN)([N@H+](C)CC2CC2)CC1 ZINC000037925273 168154294 /nfs/dbraw/zinc/15/42/94/168154294.db2.gz RJUHEZGINMJPQR-UHFFFAOYSA-N 1 0 210.365 2.236 10 0 BEAERO CC1CCC(C[NH2+]CC(=O)N2CCCC2)CC1 ZINC000063145459 168155723 /nfs/dbraw/zinc/15/57/23/168155723.db2.gz SYTSUYCNTPLNLV-UHFFFAOYSA-N 1 0 238.375 2.025 10 0 BEAERO CC1CCC([N@H+](C)[C@@H](CN)C2CC2)CC1 ZINC000042472811 168159957 /nfs/dbraw/zinc/15/99/57/168159957.db2.gz CVRBDEGEFKKGSC-GDKBPFBDSA-N 1 0 210.365 2.234 10 0 BEAERO CC1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037164579 168164117 /nfs/dbraw/zinc/16/41/17/168164117.db2.gz ZCBFYDDYDAHYLN-TUUUFIMRSA-N 1 0 211.349 2.458 10 0 BEAERO CC1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037164582 168165893 /nfs/dbraw/zinc/16/58/93/168165893.db2.gz ZCBFYDDYDAHYLN-TYUFSLCMSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cn[nH]c1 ZINC000301905535 168166443 /nfs/dbraw/zinc/16/64/43/168166443.db2.gz SVCNNOMKDMLLDZ-AKJDGMEZSA-N 1 0 237.347 2.002 10 0 BEAERO CC1CCC(OC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062871057 168167020 /nfs/dbraw/zinc/16/70/20/168167020.db2.gz WFTUXZXHYKIXMT-ORHYLEIMSA-N 1 0 239.359 2.498 10 0 BEAERO CC1CCC(OC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042164210 168167535 /nfs/dbraw/zinc/16/75/35/168167535.db2.gz KHFHHMLNKAXDAG-MOENNCHZSA-N 1 0 225.332 2.250 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCCC1CCC1 ZINC000659360953 411376555 /nfs/dbraw/zinc/37/65/55/411376555.db2.gz HDLZOIHNSRHWBO-STQMWFEESA-N 1 0 238.375 2.058 10 0 BEAERO CC1CC[NH+](C[C@H](O)c2ccc(N)cc2)CC1 ZINC000019731418 168182757 /nfs/dbraw/zinc/18/27/57/168182757.db2.gz AUQVHPONLARPPG-AWEZNQCLSA-N 1 0 234.343 2.034 10 0 BEAERO CC1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000039140970 168182844 /nfs/dbraw/zinc/18/28/44/168182844.db2.gz CDBOQNAZNFPCPV-HNNXBMFYSA-N 1 0 232.371 2.288 10 0 BEAERO C[C@H](N)[C@H]([NH+]1CCC(C)CC1)C(C)(C)C ZINC000043291296 168186992 /nfs/dbraw/zinc/18/69/92/168186992.db2.gz GWKGYWYRBAHDGC-RYUDHWBXSA-N 1 0 212.381 2.480 10 0 BEAERO CC1CC[NH+]([C@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000044114837 168187848 /nfs/dbraw/zinc/18/78/48/168187848.db2.gz GEBPLKJJNJTQIB-ZFWWWQNUSA-N 1 0 247.338 2.213 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCC1CCC1 ZINC000659362593 411384138 /nfs/dbraw/zinc/38/41/38/411384138.db2.gz RRUFSNFWZUXMPJ-ZDUSSCGKSA-N 1 0 238.375 2.073 10 0 BEAERO C[C@@H]1C[C@H](C[NH3+])CN1c1nccc2ccccc21 ZINC000216238018 411384863 /nfs/dbraw/zinc/38/48/63/411384863.db2.gz DWAAZSAOXAGESW-VXGBXAGGSA-N 1 0 241.338 2.408 10 0 BEAERO CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123249018 168261448 /nfs/dbraw/zinc/26/14/48/168261448.db2.gz GKJRJDWAGKFASB-VXGBXAGGSA-N 1 0 240.391 2.364 10 0 BEAERO CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000054402286 168264736 /nfs/dbraw/zinc/26/47/36/168264736.db2.gz RKZPJBLUPPPURH-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)C(=O)NCc1cccc(C[NH3+])c1 ZINC000054401443 168266278 /nfs/dbraw/zinc/26/62/78/168266278.db2.gz NFQPXHVCJLUFKK-UHFFFAOYSA-N 1 0 234.343 2.198 10 0 BEAERO CCC(C)(C)OC[C@H](O)c1ccc(C[NH3+])cc1 ZINC000035728116 168304795 /nfs/dbraw/zinc/30/47/95/168304795.db2.gz YFCVNLBZXAXCSJ-ZDUSSCGKSA-N 1 0 237.343 2.384 10 0 BEAERO CCC(C)(C)c1nc([C@@](C)([NH3+])CC)no1 ZINC000054404370 168306571 /nfs/dbraw/zinc/30/65/71/168306571.db2.gz QVXKDIJSKKRKIT-NSHDSACASA-N 1 0 211.309 2.341 10 0 BEAERO Cc1c[nH+]ccc1N[C@H]1CNc2ccccc2C1 ZINC000404456086 411397407 /nfs/dbraw/zinc/39/74/07/411397407.db2.gz VSHRUHGJWBQGAP-CYBMUJFWSA-N 1 0 239.322 2.261 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]CCN2C(C)(C)C)cc1 ZINC000616637224 411407258 /nfs/dbraw/zinc/40/72/58/411407258.db2.gz JSQHFEFSRJPQFN-AWEZNQCLSA-N 1 0 248.370 2.440 10 0 BEAERO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000125942234 411409331 /nfs/dbraw/zinc/40/93/31/411409331.db2.gz DYAMITBGMNDTBP-YPMHNXCESA-N 1 0 221.275 2.192 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cocn2)C1 ZINC000616648839 411411463 /nfs/dbraw/zinc/41/14/63/411411463.db2.gz DWWKQLGESZQYKQ-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](C(F)(F)F)C1 ZINC000616648847 411411561 /nfs/dbraw/zinc/41/15/61/411411561.db2.gz FNILTXBILYKXPG-QMMMGPOBSA-N 1 0 225.254 2.438 10 0 BEAERO CC1CCC(C[NH2+]CCN2CCCC2=O)CC1 ZINC000405433802 411428391 /nfs/dbraw/zinc/42/83/91/411428391.db2.gz MADRUKDBNFOVEM-UHFFFAOYSA-N 1 0 238.375 2.025 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000306026079 411430965 /nfs/dbraw/zinc/43/09/65/411430965.db2.gz MVAHUJREMSEMNQ-OCCSQVGLSA-N 1 0 233.355 2.323 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000306026076 411431066 /nfs/dbraw/zinc/43/10/66/411431066.db2.gz MVAHUJREMSEMNQ-JSGCOSHPSA-N 1 0 233.355 2.323 10 0 BEAERO c1ccc2c(c1)ccnc2N[C@@H]1CC[NH2+]C1 ZINC000122463883 411432869 /nfs/dbraw/zinc/43/28/69/411432869.db2.gz XVLKMZFHAWICNT-LLVKDONJSA-N 1 0 213.284 2.009 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000122750737 411435046 /nfs/dbraw/zinc/43/50/46/411435046.db2.gz CFCUGGXBOUYFHX-NXEZZACHSA-N 1 0 236.363 2.446 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H](C)CCC[NH3+])n1 ZINC000122747920 411435253 /nfs/dbraw/zinc/43/52/53/411435253.db2.gz JVDYYIHOHRSUKK-JTQLQIEISA-N 1 0 236.363 2.448 10 0 BEAERO C[C@H]1CN(c2nccc3ccccc32)CC[NH2+]1 ZINC000122804107 411435574 /nfs/dbraw/zinc/43/55/74/411435574.db2.gz KHSHAHYMECWJKM-NSHDSACASA-N 1 0 227.311 2.033 10 0 BEAERO CCc1csc(N2CC[C@H]([NH3+])[C@H](CC)C2)n1 ZINC000122952989 411436326 /nfs/dbraw/zinc/43/63/26/411436326.db2.gz JZPORROVGLLJDF-KOLCDFICSA-N 1 0 239.388 2.269 10 0 BEAERO CC[C@H]1CN(c2ncccc2Cl)CC[C@@H]1[NH3+] ZINC000122938258 411436830 /nfs/dbraw/zinc/43/68/30/411436830.db2.gz KQYORYDXLUAWAQ-ONGXEEELSA-N 1 0 239.750 2.299 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCC1CCCCC1 ZINC000128904977 411445573 /nfs/dbraw/zinc/44/55/73/411445573.db2.gz HLRHYPUYJJLIJR-GFCCVEGCSA-N 1 0 226.364 2.056 10 0 BEAERO C[C@@H](O)C[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000216464589 411453944 /nfs/dbraw/zinc/45/39/44/411453944.db2.gz YJIIIXKWENKDFO-UIBFTYAWSA-N 1 0 223.360 2.029 10 0 BEAERO CC[C@H]([NH2+]Cc1cnc2n1CCC2)C(C)C ZINC000657328849 411467388 /nfs/dbraw/zinc/46/73/88/411467388.db2.gz FZXJIMPPVHTDGD-LBPRGKRZSA-N 1 0 221.348 2.354 10 0 BEAERO CCN(Cc1ccncc1)[C@@H](C[NH3+])c1ccco1 ZINC000042515369 169925855 /nfs/dbraw/zinc/92/58/55/169925855.db2.gz YVAWEYIFYSBGFQ-ZDUSSCGKSA-N 1 0 245.326 2.197 10 0 BEAERO CCN(c1cccc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000051783148 169943227 /nfs/dbraw/zinc/94/32/27/169943227.db2.gz YRTGIVZGUPXJHO-CYBMUJFWSA-N 1 0 204.317 2.183 10 0 BEAERO CC[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000659941244 411504762 /nfs/dbraw/zinc/50/47/62/411504762.db2.gz WRZULOJTSAJPBQ-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000040501999 169976036 /nfs/dbraw/zinc/97/60/36/169976036.db2.gz XJSWZSNVUUKLSU-AWEZNQCLSA-N 1 0 236.334 2.400 10 0 BEAERO CCN1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000034155291 170000667 /nfs/dbraw/zinc/00/06/67/170000667.db2.gz KCUSNCLJEYORCP-LBPRGKRZSA-N 1 0 224.735 2.306 10 0 BEAERO CC[N@@H+]1CCO[C@@H]2c3ccccc3CC[C@H]21 ZINC000029339386 170005137 /nfs/dbraw/zinc/00/51/37/170005137.db2.gz NPVDDTAIFUHPJI-ZIAGYGMSSA-N 1 0 217.312 2.395 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2ccc(N)cc2F)C1 ZINC000037643672 170010550 /nfs/dbraw/zinc/01/05/50/170010550.db2.gz YGSODRRBWNKZTI-JTQLQIEISA-N 1 0 237.322 2.162 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000238856879 170011121 /nfs/dbraw/zinc/01/11/21/170011121.db2.gz XNDXBESKWCDSDL-ZYHUDNBSSA-N 1 0 244.260 2.198 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000328200515 170013753 /nfs/dbraw/zinc/01/37/53/170013753.db2.gz RUQXYLCEWICUMR-WDEREUQCSA-N 1 0 208.305 2.024 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000328339216 170014610 /nfs/dbraw/zinc/01/46/10/170014610.db2.gz KIAZMQWXSLBHQD-ZYHUDNBSSA-N 1 0 224.373 2.493 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2cc(N)ccc2C)C1 ZINC000053735117 170016326 /nfs/dbraw/zinc/01/63/26/170016326.db2.gz IGSQUTQUZPVDIS-GFCCVEGCSA-N 1 0 233.359 2.331 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@H]2CCC[C@H](C)C2)C1 ZINC000336895511 170020308 /nfs/dbraw/zinc/02/03/08/170020308.db2.gz MZAGRJRUZNNMFA-IHRRRGAJSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761686 170030657 /nfs/dbraw/zinc/03/06/57/170030657.db2.gz NBAPERNKSXZUFC-NEPJUHHUSA-N 1 0 210.365 2.106 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034844 170031554 /nfs/dbraw/zinc/03/15/54/170031554.db2.gz HOFOMBIJFSYNPG-VXGBXAGGSA-N 1 0 212.381 2.352 10 0 BEAERO CCN1C[C@H]([NH2+]CC2(C(C)C)CC2)[C@@H](C)C1 ZINC000336776759 170036143 /nfs/dbraw/zinc/03/61/43/170036143.db2.gz GOBZGWLUFJDPFT-STQMWFEESA-N 1 0 224.392 2.352 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000309046085 170040154 /nfs/dbraw/zinc/04/01/54/170040154.db2.gz ORNZPOCMYHDFLA-YVECIDJPSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000336678610 170040250 /nfs/dbraw/zinc/04/02/50/170040250.db2.gz BXJAILTWRAYRNZ-XDQVBPFNSA-N 1 0 224.392 2.495 10 0 BEAERO CCNC(=[NH2+])N[C@@H](C)Cc1ccc(C)s1 ZINC000070716781 170041589 /nfs/dbraw/zinc/04/15/89/170041589.db2.gz ZBKVSOFOYMIPCM-QMMMGPOBSA-N 1 0 225.361 2.121 10 0 BEAERO CCNC(=[NH2+])N(C)Cc1ccc(Cl)cc1 ZINC000052038669 170041769 /nfs/dbraw/zinc/04/17/69/170041769.db2.gz CYCFCYDJGXENDM-UHFFFAOYSA-N 1 0 225.723 2.316 10 0 BEAERO CCNC(=O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000135716928 170052829 /nfs/dbraw/zinc/05/28/29/170052829.db2.gz SOSFCFHMODYLAD-CYBMUJFWSA-N 1 0 248.370 2.480 10 0 BEAERO CCNC(=O)C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000035135967 170065385 /nfs/dbraw/zinc/06/53/85/170065385.db2.gz AMLYKBDHVLHVEH-UPJWGTAASA-N 1 0 240.391 2.173 10 0 BEAERO CCNC(=O)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000036780410 170066092 /nfs/dbraw/zinc/06/60/92/170066092.db2.gz GZZGCMIBCNXCDX-AWEZNQCLSA-N 1 0 246.354 2.180 10 0 BEAERO O[C@@H]1CCC[C@H](C[NH+]2CCC3(CC3)CC2)C1 ZINC000660144567 411544499 /nfs/dbraw/zinc/54/44/99/411544499.db2.gz HEYJRWYKAPXGOL-QWHCGFSZSA-N 1 0 223.360 2.414 10 0 BEAERO CCNC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035645262 170084458 /nfs/dbraw/zinc/08/44/58/170084458.db2.gz WNXAPQSBVMDPFH-SECBINFHSA-N 1 0 221.304 2.108 10 0 BEAERO CCNC(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000035645459 170085031 /nfs/dbraw/zinc/08/50/31/170085031.db2.gz WQYXLNIAQMDOCG-VIFPVBQESA-N 1 0 221.304 2.108 10 0 BEAERO Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1C ZINC000657499199 411536299 /nfs/dbraw/zinc/53/62/99/411536299.db2.gz BBGDCDQZKNHVBM-CYZMBNFOSA-N 1 0 219.332 2.007 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(F)cc1 ZINC000061287560 170107301 /nfs/dbraw/zinc/10/73/01/170107301.db2.gz VFBOAQOTFIFXSV-UHFFFAOYSA-N 1 0 224.279 2.152 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000061288884 170107511 /nfs/dbraw/zinc/10/75/11/170107511.db2.gz OIUNXRIIPJWFMC-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]C(C)(C)CN1CCc2sccc2C1 ZINC000061299596 170107646 /nfs/dbraw/zinc/10/76/46/170107646.db2.gz SCIKYAQSWJDNRS-UHFFFAOYSA-N 1 0 238.400 2.494 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccccc1 ZINC000061278596 170107857 /nfs/dbraw/zinc/10/78/57/170107857.db2.gz YRSOVVZAWGGIIP-LLVKDONJSA-N 1 0 234.343 2.252 10 0 BEAERO CC[NH2+]C1(C(N)=O)CCC(C(C)(C)C)CC1 ZINC000037869508 170108263 /nfs/dbraw/zinc/10/82/63/170108263.db2.gz ALQLOWYWJAZIDY-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO CC[NH2+]C1CCN(Cc2ccccc2OC)CC1 ZINC000037241064 170108532 /nfs/dbraw/zinc/10/85/32/170108532.db2.gz XHMBKIXAMYGPKT-UHFFFAOYSA-N 1 0 248.370 2.269 10 0 BEAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(C)C ZINC000054601583 170109186 /nfs/dbraw/zinc/10/91/86/170109186.db2.gz QXNZTYPTSYOITM-YHWZYXNKSA-N 1 0 210.365 2.390 10 0 BEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccncc1 ZINC000054627783 170109569 /nfs/dbraw/zinc/10/95/69/170109569.db2.gz XDRAQGQNTMMGHO-GOOCMWNKSA-N 1 0 245.370 2.187 10 0 BEAERO CC[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000038074613 170110037 /nfs/dbraw/zinc/11/00/37/170110037.db2.gz TUZGVWWLWKIBDU-UHFFFAOYSA-N 1 0 245.326 2.406 10 0 BEAERO CC[NH2+]CC1(O[C@H]2CCOC2)CCC(C)CC1 ZINC000104122117 170110573 /nfs/dbraw/zinc/11/05/73/170110573.db2.gz RFSYKKFQZFFBPJ-MOKVOYLWSA-N 1 0 241.375 2.350 10 0 BEAERO CC[NH2+]CC1(CC2CCOCC2)CCOCC1 ZINC000061674156 170110978 /nfs/dbraw/zinc/11/09/78/170110978.db2.gz QLFDJJYMIQMJOR-UHFFFAOYSA-N 1 0 241.375 2.209 10 0 BEAERO CC[NH2+]CCC(=O)c1cc(C)c(OC)cc1C ZINC000049827539 170111771 /nfs/dbraw/zinc/11/17/71/170111771.db2.gz CENFEUAGAVXDLW-UHFFFAOYSA-N 1 0 235.327 2.494 10 0 BEAERO CC[NH2+]CCC(=O)c1ccc(OC)c(F)c1 ZINC000049820011 170111963 /nfs/dbraw/zinc/11/19/63/170111963.db2.gz PVTXXIFFPOQURV-UHFFFAOYSA-N 1 0 225.263 2.017 10 0 BEAERO CC[NH2+]CCCOc1ccccc1OCC ZINC000020525121 170112854 /nfs/dbraw/zinc/11/28/54/170112854.db2.gz BTRMVCZNTWJIOU-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO CC[NH2+]CCCc1ccc2c(c1)OCCCO2 ZINC000080391770 170113892 /nfs/dbraw/zinc/11/38/92/170113892.db2.gz WCRRLUTYSKGOBX-UHFFFAOYSA-N 1 0 235.327 2.390 10 0 BEAERO CC[NH2+]CCOCc1cccc2cccnc21 ZINC000051844087 170116860 /nfs/dbraw/zinc/11/68/60/170116860.db2.gz XTNVGQAKKVQJBL-UHFFFAOYSA-N 1 0 230.311 2.361 10 0 BEAERO CC[NH2+]CC[C@H](O)c1cc(Cl)ccc1OC ZINC000049831580 170117530 /nfs/dbraw/zinc/11/75/30/170117530.db2.gz WDKDLEZTAYNIGX-NSHDSACASA-N 1 0 243.734 2.382 10 0 BEAERO CC[NH2+]CCc1nnc([C@@H]2C[C@H]3CC[C@@H]2C3)o1 ZINC000050619849 170117894 /nfs/dbraw/zinc/11/78/94/170117894.db2.gz NCBJTZHFRYBRIA-HBNTYKKESA-N 1 0 235.331 2.125 10 0 BEAERO CC[NH2+]CCc1nc2cc(F)ccc2n1CC ZINC000051784301 170117925 /nfs/dbraw/zinc/11/79/25/170117925.db2.gz VPHCNUOOPWRYPC-UHFFFAOYSA-N 1 0 235.306 2.347 10 0 BEAERO CC[NH2+]CCc1nc2cccc(Cl)c2n1C ZINC000051784339 170117986 /nfs/dbraw/zinc/11/79/86/170117986.db2.gz FVMFHBZOPZFHLB-UHFFFAOYSA-N 1 0 237.734 2.379 10 0 BEAERO CC[NH2+]CCc1nc2cc(C)ccc2o1 ZINC000051784543 170118289 /nfs/dbraw/zinc/11/82/89/170118289.db2.gz XGHWEIVGMHMJHX-UHFFFAOYSA-N 1 0 204.273 2.288 10 0 BEAERO CC[NH2+]CCc1nc2c(cccc2Cl)[nH]1 ZINC000051784340 170118473 /nfs/dbraw/zinc/11/84/73/170118473.db2.gz NCCFMBGKTDGOCN-UHFFFAOYSA-N 1 0 223.707 2.368 10 0 BEAERO CC[NH2+]C[C@@H](C)N1Cc2ccccc2C1 ZINC000052374229 170119402 /nfs/dbraw/zinc/11/94/02/170119402.db2.gz FXLPAMPNTNDEBQ-LLVKDONJSA-N 1 0 204.317 2.000 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000055027872 170119912 /nfs/dbraw/zinc/11/99/12/170119912.db2.gz DKFFTKUXYWNJQA-SNVBAGLBSA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2cccc(C)c2)C1 ZINC000053012893 170120013 /nfs/dbraw/zinc/12/00/13/170120013.db2.gz UQTSYOIXGYSIDM-ZDUSSCGKSA-N 1 0 218.344 2.431 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000053012315 170120108 /nfs/dbraw/zinc/12/01/08/170120108.db2.gz RIZIKKLCVUVCKV-NSHDSACASA-N 1 0 222.307 2.262 10 0 BEAERO CC[NH2+]C[C@@](O)(c1ccccc1OC)C(C)C ZINC000033466297 170121175 /nfs/dbraw/zinc/12/11/75/170121175.db2.gz ILVHBTBMXRLVDF-AWEZNQCLSA-N 1 0 237.343 2.148 10 0 BEAERO CC[NH2+]C[C@H](O)CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000036951180 170121501 /nfs/dbraw/zinc/12/15/01/170121501.db2.gz YZVRRWPNMYOKFW-AVGNSLFASA-N 1 0 243.391 2.188 10 0 BEAERO CC[NH2+]C[C@H](C)c1nc2ccccc2[nH]1 ZINC000061219037 170121647 /nfs/dbraw/zinc/12/16/47/170121647.db2.gz GTGYZUQRLKMXEJ-VIFPVBQESA-N 1 0 203.289 2.276 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccccc1OC(C)C ZINC000032014599 170122390 /nfs/dbraw/zinc/12/23/90/170122390.db2.gz YSKNCNIGUHHMLU-LBPRGKRZSA-N 1 0 223.316 2.117 10 0 BEAERO CC[NH2+]C[C@H]1CCN([C@@H](C)c2ccncc2)C1 ZINC000053031117 170122765 /nfs/dbraw/zinc/12/27/65/170122765.db2.gz CYVPEUUHDKETJK-QWHCGFSZSA-N 1 0 233.359 2.074 10 0 BEAERO CC[NH2+]C[C@](O)(CC)c1ccc(F)cc1 ZINC000032012553 170123227 /nfs/dbraw/zinc/12/32/27/170123227.db2.gz AIZUMNAESPVQLQ-GFCCVEGCSA-N 1 0 211.280 2.033 10 0 BEAERO CC[NH2+]C[C@H]1CCc2nc(CC)sc2C1 ZINC000033874368 170123637 /nfs/dbraw/zinc/12/36/37/170123637.db2.gz IFRZMLXGVMVTCG-VIFPVBQESA-N 1 0 224.373 2.420 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000054590390 170123820 /nfs/dbraw/zinc/12/38/20/170123820.db2.gz KINJTZGGTOFMEW-OCCSQVGLSA-N 1 0 218.344 2.466 10 0 BEAERO CC[NH2+]Cc1c(C)[nH]c2ccccc2c1=O ZINC000001873908 170123985 /nfs/dbraw/zinc/12/39/85/170123985.db2.gz IFVXVSNRGQTCHG-UHFFFAOYSA-N 1 0 216.284 2.358 10 0 BEAERO CC[NH2+]Cc1cc2c(cc1OC(C)C)OCO2 ZINC000042874427 170125458 /nfs/dbraw/zinc/12/54/58/170125458.db2.gz SWLOJKVQHRQDKF-UHFFFAOYSA-N 1 0 237.299 2.312 10 0 BEAERO CC[NH2+]Cc1ccc(Br)o1 ZINC000019507286 170126367 /nfs/dbraw/zinc/12/63/67/170126367.db2.gz ILCFTWDZCWNRED-UHFFFAOYSA-N 1 0 204.067 2.152 10 0 BEAERO CC[NH2+]Cc1cc2ccccc2c(OC)n1 ZINC000051523672 170126586 /nfs/dbraw/zinc/12/65/86/170126586.db2.gz XCXJLFYVGFGZTL-UHFFFAOYSA-N 1 0 216.284 2.353 10 0 BEAERO CC[NH2+]Cc1ccc(OCC(F)F)c(OC)c1 ZINC000037755495 170127566 /nfs/dbraw/zinc/12/75/66/170127566.db2.gz LUKCMTHKWJSVRF-UHFFFAOYSA-N 1 0 245.269 2.449 10 0 BEAERO CC[NH2+]Cc1ccc(N2CCCCCCC2)nn1 ZINC000051437704 170127660 /nfs/dbraw/zinc/12/76/60/170127660.db2.gz NCSDDTUBQPORIV-UHFFFAOYSA-N 1 0 248.374 2.357 10 0 BEAERO CC[NH2+]Cc1cccc(NC(=O)CSC)c1 ZINC000036281202 170128188 /nfs/dbraw/zinc/12/81/88/170128188.db2.gz CGLOPAKWQSWKCT-UHFFFAOYSA-N 1 0 238.356 2.098 10 0 BEAERO CC[NH2+]Cc1cccc(N2CCC[C@@H]2C)n1 ZINC000051398750 170128218 /nfs/dbraw/zinc/12/82/18/170128218.db2.gz AGIRDSNKILKSJJ-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1cccc(COCCOCC)c1 ZINC000052604091 170128228 /nfs/dbraw/zinc/12/82/28/170128228.db2.gz AUHIJJXFQRCEHF-UHFFFAOYSA-N 1 0 237.343 2.349 10 0 BEAERO CC[NH2+]Cc1ccnc(-c2cccs2)n1 ZINC000054791323 170129753 /nfs/dbraw/zinc/12/97/53/170129753.db2.gz MNOIPNPDAKXQNO-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1cnc(N(CC)CC)s1 ZINC000037184574 170130949 /nfs/dbraw/zinc/13/09/49/170130949.db2.gz USOUBNYJJGCDFP-UHFFFAOYSA-N 1 0 213.350 2.099 10 0 BEAERO CC[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000048655312 170132081 /nfs/dbraw/zinc/13/20/81/170132081.db2.gz CFPNRFGYSAWJAF-UHFFFAOYSA-N 1 0 221.260 2.056 10 0 BEAERO CC[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000053294514 170132140 /nfs/dbraw/zinc/13/21/40/170132140.db2.gz PBFYXYJDWABOKD-UHFFFAOYSA-N 1 0 210.224 2.271 10 0 BEAERO CC[NH2+]Cc1nc2ccccc2n1CC ZINC000037979089 170132145 /nfs/dbraw/zinc/13/21/45/170132145.db2.gz CLKNNUODHGHDKR-UHFFFAOYSA-N 1 0 203.289 2.166 10 0 BEAERO CC[NH2+]Cc1sc([C@@H]2CCCO2)nc1C ZINC000062214220 170132415 /nfs/dbraw/zinc/13/24/15/170132415.db2.gz JALKWTVHVPVJOC-VIFPVBQESA-N 1 0 226.345 2.413 10 0 BEAERO CC[NH2+]Cc1sc(N2CCCC2)nc1C ZINC000045206746 170133149 /nfs/dbraw/zinc/13/31/49/170133149.db2.gz UPLNOEKJMJREOL-UHFFFAOYSA-N 1 0 225.361 2.161 10 0 BEAERO CC[NH2+][C@@H](C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000037869640 170137839 /nfs/dbraw/zinc/13/78/39/170137839.db2.gz WPPSOSMKIRZKMA-SECBINFHSA-N 1 0 247.125 2.129 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nc(-c2ccsc2)no1 ZINC000061213016 170139963 /nfs/dbraw/zinc/13/99/63/170139963.db2.gz GFROUXWHEOCCPI-QMMMGPOBSA-N 1 0 237.328 2.339 10 0 BEAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1Cc1cccnc1 ZINC000104428144 170141075 /nfs/dbraw/zinc/14/10/75/170141075.db2.gz VUKMMHHWGXOPOV-DZGCQCFKSA-N 1 0 247.386 2.434 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1Cc1cccnc1 ZINC000104428138 170141305 /nfs/dbraw/zinc/14/13/05/170141305.db2.gz VUKMMHHWGXOPOV-ZFWWWQNUSA-N 1 0 247.386 2.434 10 0 BEAERO CC[NH2+][C@@H](C)c1cn2c(C)csc2n1 ZINC000076788357 170142248 /nfs/dbraw/zinc/14/22/48/170142248.db2.gz KDMFMPDTEFLCEA-QMMMGPOBSA-N 1 0 209.318 2.375 10 0 BEAERO CC[NH2+][C@@H](C)c1nc2ccc(F)cc2n1C ZINC000062366599 170142798 /nfs/dbraw/zinc/14/27/98/170142798.db2.gz RXIRUUHAGYNVAT-QMMMGPOBSA-N 1 0 221.279 2.383 10 0 BEAERO CC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000038120370 170145212 /nfs/dbraw/zinc/14/52/12/170145212.db2.gz NZACPYFNQMVITC-JTQLQIEISA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+][C@@H](CO)c1c(C)cc(C)cc1C ZINC000038120298 170145540 /nfs/dbraw/zinc/14/55/40/170145540.db2.gz SPHJUNSTXACGMY-LBPRGKRZSA-N 1 0 207.317 2.255 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc(OC)c(C(C)C)c1 ZINC000071548104 170145558 /nfs/dbraw/zinc/14/55/58/170145558.db2.gz YXILGUXMFSHLIK-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1cccc(OC)c1 ZINC000035570315 170145807 /nfs/dbraw/zinc/14/58/07/170145807.db2.gz GZNRDTWOYOIPIQ-ZDUSSCGKSA-N 1 0 245.326 2.312 10 0 BEAERO CC[NH2+][C@@H](CO[C@@H]1CCOC1)c1ccccc1 ZINC000104102755 170146246 /nfs/dbraw/zinc/14/62/46/170146246.db2.gz NTNFBYCYLBXAKV-KGLIPLIRSA-N 1 0 235.327 2.143 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)Cc1ccccc1F ZINC000035570417 170146446 /nfs/dbraw/zinc/14/64/46/170146446.db2.gz OVVUCSJRBBWMDE-GFCCVEGCSA-N 1 0 247.317 2.312 10 0 BEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H]1COCCO1 ZINC000055300106 170147696 /nfs/dbraw/zinc/14/76/96/170147696.db2.gz SYSMLQOFUFOBSH-GJZGRUSLSA-N 1 0 249.354 2.315 10 0 BEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C1CC1 ZINC000035556650 170148619 /nfs/dbraw/zinc/14/86/19/170148619.db2.gz OFVBWEWPVYKIHA-GFCCVEGCSA-N 1 0 232.283 2.182 10 0 BEAERO CC[NH2+][C@@H](c1cncnc1)C1CCCC1 ZINC000052887267 170149263 /nfs/dbraw/zinc/14/92/63/170149263.db2.gz OXVNUNHALOOJOV-GFCCVEGCSA-N 1 0 205.305 2.317 10 0 BEAERO CC[NH2+][C@H](c1cccc(C)c1)c1cncnc1 ZINC000052887186 170149676 /nfs/dbraw/zinc/14/96/76/170149676.db2.gz LGSABYZDGKIJTK-CQSZACIVSA-N 1 0 227.311 2.484 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1cncnc1 ZINC000060715517 170150159 /nfs/dbraw/zinc/15/01/59/170150159.db2.gz ABZPHRGYXGURJP-VXGBXAGGSA-N 1 0 205.305 2.112 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1cnn(CC)c1 ZINC000060716346 170150627 /nfs/dbraw/zinc/15/06/27/170150627.db2.gz ZEJBUISDJCMYIX-VXGBXAGGSA-N 1 0 207.321 2.149 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@@H]1n1nc(C)cc1C ZINC000043994964 170150705 /nfs/dbraw/zinc/15/07/05/170150705.db2.gz PANRRIMJYOVGNM-NEPJUHHUSA-N 1 0 207.321 2.203 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000037241577 170152312 /nfs/dbraw/zinc/15/23/12/170152312.db2.gz QBZPROVSDKKBCF-CQSZACIVSA-N 1 0 218.344 2.179 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@H](C)c2ccsc2)C1=O ZINC000061363815 170152444 /nfs/dbraw/zinc/15/24/44/170152444.db2.gz APZSZIYYEXWFJD-MWLCHTKSSA-N 1 0 238.356 2.020 10 0 BEAERO CC[NH2+][C@@H]1CCOc2cc(F)cc(F)c21 ZINC000054931973 170152632 /nfs/dbraw/zinc/15/26/32/170152632.db2.gz UIYLYLYCDMNWNB-SECBINFHSA-N 1 0 213.227 2.398 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(COC)c2)C1 ZINC000049508965 170152946 /nfs/dbraw/zinc/15/29/46/170152946.db2.gz BAMYRSTVSUTTKO-CYBMUJFWSA-N 1 0 234.343 2.021 10 0 BEAERO CC[NH2+][C@@H]1CCOc2c(F)cc(F)cc21 ZINC000035653385 170153250 /nfs/dbraw/zinc/15/32/50/170153250.db2.gz PJKJSTJNOBVYES-SNVBAGLBSA-N 1 0 213.227 2.398 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(C)ccc2C)C1=O ZINC000049647115 170153317 /nfs/dbraw/zinc/15/33/17/170153317.db2.gz GBDWNOLCGJPFDJ-GFCCVEGCSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000037241498 170153334 /nfs/dbraw/zinc/15/33/34/170153334.db2.gz JDUNHXCAKIALTF-SNVBAGLBSA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@@H]1CC[S@](=O)c2c(C)cccc21 ZINC000040988524 170154128 /nfs/dbraw/zinc/15/41/28/170154128.db2.gz JCLMCSIGOLITLG-IAQYHMDHSA-N 1 0 223.341 2.157 10 0 BEAERO CC[NH2+][C@@](C)(CO)c1cc(C)ccc1C ZINC000038120109 170154710 /nfs/dbraw/zinc/15/47/10/170154710.db2.gz QSVRNLYBBXSBDX-ZDUSSCGKSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+][C@H](C)CN(C)Cc1cccc(OC)c1 ZINC000043911932 170157011 /nfs/dbraw/zinc/15/70/11/170157011.db2.gz GFORDLFJGPHIBC-GFCCVEGCSA-N 1 0 236.359 2.125 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(CC)Cc1ccccc1 ZINC000061269366 170157141 /nfs/dbraw/zinc/15/71/41/170157141.db2.gz DAHWDKHLDHRJCZ-CYBMUJFWSA-N 1 0 248.370 2.423 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000061270456 170157224 /nfs/dbraw/zinc/15/72/24/170157224.db2.gz SYCGASHIBNADFE-MWLCHTKSSA-N 1 0 238.331 2.153 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2cc(F)ccc2[nH]1 ZINC000061181866 170158569 /nfs/dbraw/zinc/15/85/69/170158569.db2.gz RKBCUCYMERKKAB-MRVPVSSYSA-N 1 0 221.279 2.243 10 0 BEAERO CC[NH2+][C@H](C)c1c(C)nn([C@H]2CCOC2)c1C ZINC000070072936 170159190 /nfs/dbraw/zinc/15/91/90/170159190.db2.gz QJMMAYYILKWJNQ-SKDRFNHKSA-N 1 0 237.347 2.132 10 0 BEAERO CC[NH2+][C@H](C)c1c(F)cccc1OCCCO ZINC000034845397 170159571 /nfs/dbraw/zinc/15/95/71/170159571.db2.gz OQINATUFYFIQNQ-SNVBAGLBSA-N 1 0 241.306 2.257 10 0 BEAERO CC[NH2+][C@H](C)c1cn2cc(C)sc2n1 ZINC000076789945 170159782 /nfs/dbraw/zinc/15/97/82/170159782.db2.gz VPZSEDHEPGWXEN-MRVPVSSYSA-N 1 0 209.318 2.375 10 0 BEAERO CC[NH2+][C@H](C)c1cnc(-c2cnn(C)c2)s1 ZINC000054160323 170160482 /nfs/dbraw/zinc/16/04/82/170160482.db2.gz ARQSQQLOFDNGKO-MRVPVSSYSA-N 1 0 236.344 2.214 10 0 BEAERO CC[NH2+][C@H](C)c1sc(N(C)C)nc1C ZINC000054901271 170160753 /nfs/dbraw/zinc/16/07/53/170160753.db2.gz SANPKHMYBNKVHB-SSDOTTSWSA-N 1 0 213.350 2.188 10 0 BEAERO CC[NH2+][C@H](CCOC)Cc1csc(C)n1 ZINC000055295743 170161318 /nfs/dbraw/zinc/16/13/18/170161318.db2.gz NFSJJFSUTPIFMS-SNVBAGLBSA-N 1 0 228.361 2.009 10 0 BEAERO CC[NH2+][C@H](CC)c1nnc([C@H]2CCCCO2)o1 ZINC000061512440 170161600 /nfs/dbraw/zinc/16/16/00/170161600.db2.gz DHFSBQHVOQJIEC-NXEZZACHSA-N 1 0 239.319 2.372 10 0 BEAERO CC[NH2+][C@H](CCOCC)Cc1nc(C)cs1 ZINC000055269005 170161950 /nfs/dbraw/zinc/16/19/50/170161950.db2.gz BHSLCXBJDQDDHV-LLVKDONJSA-N 1 0 242.388 2.399 10 0 BEAERO CC[NH2+][C@H](CO[C@@H]1CCOC1)c1ccccc1 ZINC000104102758 170162256 /nfs/dbraw/zinc/16/22/56/170162256.db2.gz NTNFBYCYLBXAKV-ZIAGYGMSSA-N 1 0 235.327 2.143 10 0 BEAERO CC[NH2+][C@H](CO)c1cccc2ccccc21 ZINC000038120365 170162454 /nfs/dbraw/zinc/16/24/54/170162454.db2.gz VSPYJPVJMZMLPU-CQSZACIVSA-N 1 0 215.296 2.483 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(OC)cc1 ZINC000035570397 170162832 /nfs/dbraw/zinc/16/28/32/170162832.db2.gz FVWBZPPPKMTZOV-CYBMUJFWSA-N 1 0 245.326 2.312 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1cccc(OC)c1 ZINC000035570317 170163010 /nfs/dbraw/zinc/16/30/10/170163010.db2.gz GZNRDTWOYOIPIQ-CYBMUJFWSA-N 1 0 245.326 2.312 10 0 BEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)c1cccnc1 ZINC000050542624 170163162 /nfs/dbraw/zinc/16/31/62/170163162.db2.gz SVUKAFJXKVOXKJ-CQSZACIVSA-N 1 0 244.342 2.191 10 0 BEAERO CC[NH2+][C@H](c1ccc(C)cc1C)[C@H]1COCCO1 ZINC000055299981 170163421 /nfs/dbraw/zinc/16/34/21/170163421.db2.gz RKICHPIMUIPRSE-HUUCEWRRSA-N 1 0 249.354 2.369 10 0 BEAERO CC[NH2+][C@H](c1ccccc1)c1cnccn1 ZINC000037469133 170164852 /nfs/dbraw/zinc/16/48/52/170164852.db2.gz KXONZVPBPAWKSA-CYBMUJFWSA-N 1 0 213.284 2.176 10 0 BEAERO CC[NH2+][C@H](c1cncnc1)c1ccccc1OC ZINC000052886893 170165085 /nfs/dbraw/zinc/16/50/85/170165085.db2.gz ICKQNVISORANNK-CQSZACIVSA-N 1 0 243.310 2.184 10 0 BEAERO CC[NH2+][C@H](c1cccnc1)c1ccc(C)nc1 ZINC000062949920 170165115 /nfs/dbraw/zinc/16/51/15/170165115.db2.gz SOFQSBCSJOFBAB-CQSZACIVSA-N 1 0 227.311 2.484 10 0 BEAERO CC[NH2+][C@H](c1cnccn1)C1CCCC1 ZINC000037469127 170165207 /nfs/dbraw/zinc/16/52/07/170165207.db2.gz SIGJYGUALHGEIN-LBPRGKRZSA-N 1 0 205.305 2.317 10 0 BEAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccccc1C ZINC000035556094 170165348 /nfs/dbraw/zinc/16/53/48/170165348.db2.gz AVIHWPXCJIZNQI-CQSZACIVSA-N 1 0 229.327 2.427 10 0 BEAERO CC[NH2+][C@H]1CCCCCC[C@H]1C(=O)OC ZINC000309034326 170165629 /nfs/dbraw/zinc/16/56/29/170165629.db2.gz HCIIUKDCKYAEIG-MNOVXSKESA-N 1 0 213.321 2.108 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@@H]1n1ccnc1C ZINC000043993784 170166203 /nfs/dbraw/zinc/16/62/03/170166203.db2.gz JGCYUMOGNFLGAV-RYUDHWBXSA-N 1 0 207.321 2.285 10 0 BEAERO CC[NH2+][C@@H]1c2ccc(OCC3CC3)cc2NC1=O ZINC000103929029 170166264 /nfs/dbraw/zinc/16/62/64/170166264.db2.gz UBZHGIIABGKCHL-CYBMUJFWSA-N 1 0 246.310 2.078 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@H]1n1cc(C)cn1 ZINC000043999514 170166565 /nfs/dbraw/zinc/16/65/65/170166565.db2.gz LHCCGVYXVQHIQC-NWDGAFQWSA-N 1 0 207.321 2.285 10 0 BEAERO CC[NH2+][C@H]1CCCc2nc(CSC)ncc21 ZINC000054497126 170166570 /nfs/dbraw/zinc/16/65/70/170166570.db2.gz ZPEHULBMEYMIFV-JTQLQIEISA-N 1 0 237.372 2.327 10 0 BEAERO CC[NH2+][C@H]1CCN(CCc2cccc(F)c2)C1 ZINC000036779617 170167421 /nfs/dbraw/zinc/16/74/21/170167421.db2.gz HAPCZDOEWUTMRQ-AWEZNQCLSA-N 1 0 236.334 2.052 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccc(C)cc2)C1=O ZINC000049660300 170168217 /nfs/dbraw/zinc/16/82/17/170168217.db2.gz KKRNDMPBBVNEIW-JSGCOSHPSA-N 1 0 246.354 2.266 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(C)c(F)c2)C1 ZINC000037241557 170168327 /nfs/dbraw/zinc/16/83/27/170168327.db2.gz UINWJHOGPRAWCB-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@H]1COc2ccc(Br)cc21 ZINC000035657580 170168636 /nfs/dbraw/zinc/16/86/36/170168636.db2.gz TVNRVSZATDLTQU-VIFPVBQESA-N 1 0 242.116 2.492 10 0 BEAERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1ccccc1F ZINC000095091520 170168720 /nfs/dbraw/zinc/16/87/20/170168720.db2.gz DKVPSADGTGZNOU-JSGCOSHPSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@](C)(CO)c1cccc(Cl)c1 ZINC000038120183 170170154 /nfs/dbraw/zinc/17/01/54/170170154.db2.gz QCWGIESPURXKKN-LLVKDONJSA-N 1 0 213.708 2.157 10 0 BEAERO CC[NH2+][C@]1(c2nccs2)CCSC1 ZINC000041060918 170170592 /nfs/dbraw/zinc/17/05/92/170170592.db2.gz GYZHOIDNNCPZKE-SECBINFHSA-N 1 0 214.359 2.085 10 0 BEAERO CCNc1cc(C[NH+]2CCCC2)ccn1 ZINC000052709757 170171956 /nfs/dbraw/zinc/17/19/56/170171956.db2.gz QKAYDGXANKOTQI-UHFFFAOYSA-N 1 0 205.305 2.109 10 0 BEAERO CCNc1ccc(C[N@@H+]2CCC[C@@H]2C)cn1 ZINC000050791682 170173468 /nfs/dbraw/zinc/17/34/68/170173468.db2.gz ZOKFKKQBLKSDRR-NSHDSACASA-N 1 0 219.332 2.498 10 0 BEAERO CCNc1ncccc1C[NH+]1CCCC1 ZINC000052709745 170178473 /nfs/dbraw/zinc/17/84/73/170178473.db2.gz XDGXVBJXHJJBQH-UHFFFAOYSA-N 1 0 205.305 2.109 10 0 BEAERO CCNc1ncccc1C[N@H+](C)C1CCOCC1 ZINC000052721714 170178711 /nfs/dbraw/zinc/17/87/11/170178711.db2.gz DXSNFHKMCUZVPM-UHFFFAOYSA-N 1 0 249.358 2.124 10 0 BEAERO CCOC(=O)/C=C1\[NH+]=C(C)C=C(C)N1CC ZINC000039124235 170183226 /nfs/dbraw/zinc/18/32/26/170183226.db2.gz OXWZRNWFNHWQCF-DHZHZOJOSA-N 1 0 222.288 2.091 10 0 BEAERO CCOC(=O)CC[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000363926415 170206958 /nfs/dbraw/zinc/20/69/58/170206958.db2.gz WEDOQKLVMQSSAW-NEPJUHHUSA-N 1 0 225.332 2.204 10 0 BEAERO CCOC(=O)COc1ccc([C@H]([NH3+])CC)cc1 ZINC000037697914 170228875 /nfs/dbraw/zinc/22/88/75/170228875.db2.gz POLWQNIHLOTNIV-GFCCVEGCSA-N 1 0 237.299 2.038 10 0 BEAERO CCOC(=O)COc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000026470166 170229080 /nfs/dbraw/zinc/22/90/80/170229080.db2.gz POBWKXRDPWEVEZ-CYBMUJFWSA-N 1 0 249.310 2.053 10 0 BEAERO CCOC(=O)C[C@](C)([NH3+])C1CCCCC1 ZINC000086851676 170234321 /nfs/dbraw/zinc/23/43/21/170234321.db2.gz AZKHYVVOGIYWTL-LBPRGKRZSA-N 1 0 213.321 2.237 10 0 BEAERO CCOC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000019278269 170243729 /nfs/dbraw/zinc/24/37/29/170243729.db2.gz WKMSAPPHNJRGJU-MRVPVSSYSA-N 1 0 208.261 2.275 10 0 BEAERO CCOC(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000019389361 170243730 /nfs/dbraw/zinc/24/37/30/170243730.db2.gz YONYADQHBWDEPF-QMMMGPOBSA-N 1 0 208.261 2.275 10 0 BEAERO CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000660245258 411558936 /nfs/dbraw/zinc/55/89/36/411558936.db2.gz NUUCXAIVMXWSHF-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO CO[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000660245259 411558941 /nfs/dbraw/zinc/55/89/41/411558941.db2.gz NUUCXAIVMXWSHF-MELADBBJSA-N 1 0 241.375 2.038 10 0 BEAERO CCOC(=O)c1sc([C@H]([NH3+])CC)nc1C ZINC000083356251 170310821 /nfs/dbraw/zinc/31/08/21/170310821.db2.gz VPVXUIHOUXBPDS-SSDOTTSWSA-N 1 0 228.317 2.038 10 0 BEAERO CCOCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128458869 170374894 /nfs/dbraw/zinc/37/48/94/170374894.db2.gz MSFZASUBFRKNLH-KGLIPLIRSA-N 1 0 241.375 2.040 10 0 BEAERO CCOCC[N@H+](CC)CCc1ccccc1N ZINC000104190806 170394569 /nfs/dbraw/zinc/39/45/69/170394569.db2.gz NUQLVKIZTUYMNV-UHFFFAOYSA-N 1 0 236.359 2.170 10 0 BEAERO CCOCC[N@H+](CC)[C@]1(CN)CCCC[C@@H]1C ZINC000104194290 170395612 /nfs/dbraw/zinc/39/56/12/170395612.db2.gz UKIZJXKOKXJQNO-KBPBESRZSA-N 1 0 242.407 2.252 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]2C1 ZINC000660807072 411640425 /nfs/dbraw/zinc/64/04/25/411640425.db2.gz HJDMEYSMRLUAKX-QAUDVVSPSA-N 1 0 235.371 2.125 10 0 BEAERO CCOCC[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000053788012 170425440 /nfs/dbraw/zinc/42/54/40/170425440.db2.gz MXOGHMRHOLKJTP-CYBMUJFWSA-N 1 0 223.316 2.382 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657697230 411581985 /nfs/dbraw/zinc/58/19/85/411581985.db2.gz NXYMKQCTRXVXHO-FRRDWIJNSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC(CO)C1 ZINC000657810342 411602078 /nfs/dbraw/zinc/60/20/78/411602078.db2.gz BJVOHHJEQFWVQP-HBIQZDMRSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CC(CO)C1 ZINC000657810343 411602591 /nfs/dbraw/zinc/60/25/91/411602591.db2.gz BJVOHHJEQFWVQP-WNYYMSAVSA-N 1 0 211.349 2.172 10 0 BEAERO CCc1ccc(C[NH2+]C2CC(CO)C2)s1 ZINC000657812329 411603522 /nfs/dbraw/zinc/60/35/22/411603522.db2.gz ICPUEPCXAGBQGM-UHFFFAOYSA-N 1 0 225.357 2.171 10 0 BEAERO c1ccc(C[NH2+][C@@H]2CCCSCC2)nc1 ZINC000657814509 411604933 /nfs/dbraw/zinc/60/49/33/411604933.db2.gz APJLHUIZMRKSJR-LLVKDONJSA-N 1 0 222.357 2.457 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCCC12CC2 ZINC000657831955 411608945 /nfs/dbraw/zinc/60/89/45/411608945.db2.gz HCHMROWJFXPINA-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCCSCC1 ZINC000657833203 411609293 /nfs/dbraw/zinc/60/92/93/411609293.db2.gz NSBZMXSVSZKKKH-NEPJUHHUSA-N 1 0 229.389 2.431 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657844539 411610552 /nfs/dbraw/zinc/61/05/52/411610552.db2.gz HSGLDUROXONJJR-SDDRHHMPSA-N 1 0 229.389 2.165 10 0 BEAERO CCOC1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000657842855 411610783 /nfs/dbraw/zinc/61/07/83/411610783.db2.gz BNPFNTGWWBWKLJ-QPPOZKHWSA-N 1 0 241.375 2.227 10 0 BEAERO CCO[C@@H](C[NH3+])CCOc1cc(F)ccc1F ZINC000071167363 170478348 /nfs/dbraw/zinc/47/83/48/170478348.db2.gz SWQZQNCQYBANDD-SNVBAGLBSA-N 1 0 245.269 2.098 10 0 BEAERO CCOc1cc(C)c([C@H](O)C[NH2+]C2CC2)cc1C ZINC000049837377 170520496 /nfs/dbraw/zinc/52/04/96/170520496.db2.gz CCXVJRGBTSFIQG-CQSZACIVSA-N 1 0 249.354 2.488 10 0 BEAERO CCCc1nccnc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000663662272 411717452 /nfs/dbraw/zinc/71/74/52/411717452.db2.gz TZMUKJKPDVFEES-NWDGAFQWSA-N 1 0 248.374 2.324 10 0 BEAERO CCOc1ccc(-c2nnc(CC[NH3+])s2)cc1 ZINC000057537834 170533494 /nfs/dbraw/zinc/53/34/94/170533494.db2.gz LMYHHWGBYPLMJB-UHFFFAOYSA-N 1 0 249.339 2.105 10 0 BEAERO CCOc1ccc([C@@H](O)[C@H](C)[NH2+]C2CC2)cc1 ZINC000071545851 170560428 /nfs/dbraw/zinc/56/04/28/170560428.db2.gz NERGUASNAQGQLE-HZMBPMFUSA-N 1 0 235.327 2.259 10 0 BEAERO CCOc1ccc([C@](C)(O)C[NH2+]C(C)C)cc1 ZINC000033466223 170566484 /nfs/dbraw/zinc/56/64/84/170566484.db2.gz ILQZPGSMHVLHED-CQSZACIVSA-N 1 0 237.343 2.291 10 0 BEAERO CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000134982306 170579400 /nfs/dbraw/zinc/57/94/00/170579400.db2.gz ALWVDZCXJHDFKK-NWDGAFQWSA-N 1 0 237.343 2.192 10 0 BEAERO O[C@@H]1CCC[C@H]1[NH+]1CCC(C2CCC2)CC1 ZINC000661376473 411760255 /nfs/dbraw/zinc/76/02/55/411760255.db2.gz HFHMUIWAANOCDT-ZIAGYGMSSA-N 1 0 223.360 2.412 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000309696619 170707850 /nfs/dbraw/zinc/70/78/50/170707850.db2.gz LEDIEYPRUPFETC-VXGBXAGGSA-N 1 0 221.348 2.396 10 0 BEAERO CC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)Cc1ccccc1 ZINC000062189059 170751174 /nfs/dbraw/zinc/75/11/74/170751174.db2.gz HGBMEJCYKHWQKH-OLZOCXBDSA-N 1 0 248.370 2.122 10 0 BEAERO CC[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000026515190 170757203 /nfs/dbraw/zinc/75/72/03/170757203.db2.gz QELHMZRJHSHJIY-VXGBXAGGSA-N 1 0 226.364 2.166 10 0 BEAERO CC[C@@H](C[NH3+])n1c(C)nc2ccccc21 ZINC000043540891 170822788 /nfs/dbraw/zinc/82/27/88/170822788.db2.gz LHKZMEZQFGTJGO-JTQLQIEISA-N 1 0 203.289 2.255 10 0 BEAERO CC[C@@H](CO)[NH2+]C1CC(c2ccccc2F)C1 ZINC000036844564 170839799 /nfs/dbraw/zinc/83/97/99/170839799.db2.gz ZDZLQYBSFDWVQH-CXQJBGSLSA-N 1 0 237.318 2.432 10 0 BEAERO CC(C)(O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662044476 411964131 /nfs/dbraw/zinc/96/41/31/411964131.db2.gz OASOXLLCWACELK-GFCCVEGCSA-N 1 0 211.349 2.269 10 0 BEAERO CC[C@@H]([NH3+])Cc1c(C)nn(C(C)C)c1C ZINC000054741196 170865572 /nfs/dbraw/zinc/86/55/72/170865572.db2.gz DNLVKPIMXSIKAE-LLVKDONJSA-N 1 0 209.337 2.361 10 0 BEAERO CC[C@@H]([NH3+])Cc1ccccc1OC[C@@H]1CCOC1 ZINC000049689883 170866077 /nfs/dbraw/zinc/86/60/77/170866077.db2.gz UBKNLUGAXGFOPE-TZMCWYRMSA-N 1 0 249.354 2.382 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C1(CC(C)C)CC1 ZINC000662066459 411969962 /nfs/dbraw/zinc/96/99/62/411969962.db2.gz MDWOJCCZCKFXRS-ZDUSSCGKSA-N 1 0 243.391 2.332 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1c(C)cc(C)cc1C ZINC000036779175 170867886 /nfs/dbraw/zinc/86/78/86/170867886.db2.gz ISJRURNCXLQADV-YPMHNXCESA-N 1 0 207.317 2.383 10 0 BEAERO CC[C@@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359593 170869645 /nfs/dbraw/zinc/86/96/45/170869645.db2.gz DBRPZZQEQRKKEN-SNVBAGLBSA-N 1 0 222.263 2.120 10 0 BEAERO CC[C@@H]([NH3+])c1ccccc1OCc1noc(C)n1 ZINC000037698642 170870616 /nfs/dbraw/zinc/87/06/16/170870616.db2.gz NSSLFUHIMQVYSJ-LLVKDONJSA-N 1 0 247.298 2.367 10 0 BEAERO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000133966975 412019431 /nfs/dbraw/zinc/01/94/31/412019431.db2.gz PECIBTZNWKTYRT-HOSYDEDBSA-N 1 0 225.357 2.446 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062853394 170961700 /nfs/dbraw/zinc/96/17/00/170961700.db2.gz FYXXFLHTGNSYBJ-TZMCWYRMSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@@H]1CCN(Cc2ccccn2)CC[C@H](C)[NH2+]1 ZINC000049666511 171010842 /nfs/dbraw/zinc/01/08/42/171010842.db2.gz ABWSGXVVQJLQAA-UONOGXRCSA-N 1 0 247.386 2.434 10 0 BEAERO CC[C@@H]1CCN(Cc2ccccc2F)CC[NH2+]1 ZINC000049661407 171013133 /nfs/dbraw/zinc/01/31/33/171013133.db2.gz RJXQIMBZWKNNKG-CYBMUJFWSA-N 1 0 236.334 2.400 10 0 BEAERO CC[C@@H]1CC[N@H+](Cc2ncccc2C(=O)OC)C1 ZINC000302374954 171013903 /nfs/dbraw/zinc/01/39/03/171013903.db2.gz OZARPMNAPHLHJN-LLVKDONJSA-N 1 0 248.326 2.100 10 0 BEAERO CC[C@@H]1CCN(c2ccccc2F)CC[NH2+]1 ZINC000049661428 171014024 /nfs/dbraw/zinc/01/40/24/171014024.db2.gz SMQILOTYQGKGSV-LLVKDONJSA-N 1 0 222.307 2.404 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)Cc2cccnc2)C1 ZINC000036771135 171040033 /nfs/dbraw/zinc/04/00/33/171040033.db2.gz LINPFSARUGSFPY-BPLDGKMQSA-N 1 0 247.386 2.419 10 0 BEAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)Cc2ccncc2)C1 ZINC000036775960 171056283 /nfs/dbraw/zinc/05/62/83/171056283.db2.gz BEIKTPYOMOFYAF-VHDGCEQUSA-N 1 0 247.386 2.419 10 0 BEAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)Cc2ccccn2)C1 ZINC000036777394 171056985 /nfs/dbraw/zinc/05/69/85/171056985.db2.gz WJKUTECWLQOSMH-VHDGCEQUSA-N 1 0 247.386 2.419 10 0 BEAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](N2CCO[C@H](CC)C2)C1 ZINC000036769698 171057053 /nfs/dbraw/zinc/05/70/53/171057053.db2.gz CDGQWMYFIABROS-YIYPIFLZSA-N 1 0 240.391 2.003 10 0 BEAERO CC[C@@H]1C[N@H+](C2Cc3ccccc3C2)[C@H](C)CN1 ZINC000083373148 171075432 /nfs/dbraw/zinc/07/54/32/171075432.db2.gz UWXTZAZTRMZVLV-IUODEOHRSA-N 1 0 244.382 2.226 10 0 BEAERO CC[C@@H]1CN(CC(CC)(CC)C[NH2+]C)CCO1 ZINC000051217084 171077250 /nfs/dbraw/zinc/07/72/50/171077250.db2.gz XJQOYXDINXVEGK-CYBMUJFWSA-N 1 0 242.407 2.123 10 0 BEAERO CC[C@@H]1CN(CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000036770131 171083885 /nfs/dbraw/zinc/08/38/85/171083885.db2.gz RLRFTVUMTPEPHG-CABCVRRESA-N 1 0 248.370 2.187 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2ccc(N)c(C)c2)CCO1 ZINC000036770124 171089511 /nfs/dbraw/zinc/08/95/11/171089511.db2.gz WCJUSEUCLDYBNZ-CYBMUJFWSA-N 1 0 234.343 2.188 10 0 BEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2)CCO1 ZINC000036769404 171093898 /nfs/dbraw/zinc/09/38/98/171093898.db2.gz MMXCHRVPIJTCLG-CABCVRRESA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1CCCc1ccccc1 ZINC000083359159 171100721 /nfs/dbraw/zinc/10/07/21/171100721.db2.gz HWKGBJAKRIVYSL-OAHLLOKOSA-N 1 0 232.371 2.303 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccccn1 ZINC000068695187 171101850 /nfs/dbraw/zinc/10/18/50/171101850.db2.gz VXNLVUPUBHJNMU-HUUCEWRRSA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cccnc1 ZINC000068695391 171101916 /nfs/dbraw/zinc/10/19/16/171101916.db2.gz LIOYAFYFFBNKNS-HUUCEWRRSA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@@H]1COCC[N@@H+]1CCNc1ccccc1 ZINC000037635464 171107119 /nfs/dbraw/zinc/10/71/19/171107119.db2.gz LFYGTRMILGVQMF-CQSZACIVSA-N 1 0 234.343 2.209 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccc(F)c(F)c2)C[NH2+]1 ZINC000036986271 171109730 /nfs/dbraw/zinc/10/97/30/171109730.db2.gz COFZICYWGKROAT-BXKDBHETSA-N 1 0 227.254 2.404 10 0 BEAERO CC[C@@H]1CO[C@@H](c2cccc(OC)c2)C[NH2+]1 ZINC000036672746 171109766 /nfs/dbraw/zinc/10/97/66/171109766.db2.gz JIADQNGZVBEVIS-DGCLKSJQSA-N 1 0 221.300 2.135 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccc(F)cc2F)C[NH2+]1 ZINC000036672814 171110833 /nfs/dbraw/zinc/11/08/33/171110833.db2.gz IVHMXKMVADTHSY-BXKDBHETSA-N 1 0 227.254 2.404 10 0 BEAERO CC[C@@H]1CO[C@@H](c2cc(C)oc2C)C[NH2+]1 ZINC000036672702 171111264 /nfs/dbraw/zinc/11/12/64/171111264.db2.gz GQSUYZRITCCLJS-ZYHUDNBSSA-N 1 0 209.289 2.336 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccccc2C)C[NH2+]1 ZINC000036672824 171113378 /nfs/dbraw/zinc/11/33/78/171113378.db2.gz HMVXIIJPVOHBJL-YPMHNXCESA-N 1 0 205.301 2.435 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccc(F)cc2)C[NH2+]1 ZINC000036986241 171114784 /nfs/dbraw/zinc/11/47/84/171114784.db2.gz KLWHMGCCOGAGLM-NEPJUHHUSA-N 1 0 209.264 2.265 10 0 BEAERO CC[C@@H]1c2ccccc2OCN1CCCO ZINC000039102306 171162794 /nfs/dbraw/zinc/16/27/94/171162794.db2.gz BZIDYASVLKQFQP-GFCCVEGCSA-N 1 0 221.300 2.172 10 0 BEAERO CC[C@@](C)(C[NH3+])CN1Cc2ccccc2C1 ZINC000051249407 171166151 /nfs/dbraw/zinc/16/61/51/171166151.db2.gz NBIQLAHAIOGJMQ-AWEZNQCLSA-N 1 0 218.344 2.377 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000123445413 171177094 /nfs/dbraw/zinc/17/70/94/171177094.db2.gz ZPYXBIMEKSJTLY-CQSZACIVSA-N 1 0 239.334 2.461 10 0 BEAERO CC[C@@]1(C(=O)N(C)[C@@H](C)CC(C)C)CC[NH2+]C1 ZINC000062895124 171194422 /nfs/dbraw/zinc/19/44/22/171194422.db2.gz XZEKYZQMEAMRTG-GXTWGEPZSA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@@]1(c2nnc(C)n2C(C)C)CCC[NH2+]C1 ZINC000062872653 171218031 /nfs/dbraw/zinc/21/80/31/171218031.db2.gz VOAVSHYYTNCITD-CYBMUJFWSA-N 1 0 236.363 2.199 10 0 BEAERO CC[C@H](C)C(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653595 171246887 /nfs/dbraw/zinc/24/68/87/171246887.db2.gz CKYTVZRXSFSCNM-JTQLQIEISA-N 1 0 220.316 2.154 10 0 BEAERO CC[C@H](C)CN(C)c1[nH+]cc(N)cc1C ZINC000052812628 171275980 /nfs/dbraw/zinc/27/59/80/171275980.db2.gz YZAHMVSYGOTAFJ-VIFPVBQESA-N 1 0 207.321 2.455 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000128938659 171280555 /nfs/dbraw/zinc/28/05/55/171280555.db2.gz BEYVFLZKNSLJGV-QWHCGFSZSA-N 1 0 221.348 2.394 10 0 BEAERO CC[C@H](C)C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000133526388 171285709 /nfs/dbraw/zinc/28/57/09/171285709.db2.gz MJFVBXWXQDFPOI-LBPRGKRZSA-N 1 0 244.342 2.403 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000336743735 171286006 /nfs/dbraw/zinc/28/60/06/171286006.db2.gz UFJGLBIVKYYHCQ-NWDGAFQWSA-N 1 0 221.348 2.081 10 0 BEAERO CN(C[C@@H]1CCCCC1(F)F)CC(C)(C)[NH3+] ZINC000662295291 412084197 /nfs/dbraw/zinc/08/41/97/412084197.db2.gz PCWFOTHQFPAHSK-JTQLQIEISA-N 1 0 234.334 2.481 10 0 BEAERO CC[C@H](C)N(C)C(=O)c1cccc(CC[NH3+])c1 ZINC000053662006 171304953 /nfs/dbraw/zinc/30/49/53/171304953.db2.gz UTIOOQSANCQCNW-NSHDSACASA-N 1 0 234.343 2.058 10 0 BEAERO CC[C@H](C)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000037109141 171305197 /nfs/dbraw/zinc/30/51/97/171305197.db2.gz JUKIDVCWNVGFIN-JTQLQIEISA-N 1 0 220.316 2.016 10 0 BEAERO CC[C@H](C)[N@H+](CCOC)C1(CN)CCCCC1 ZINC000042578676 171315737 /nfs/dbraw/zinc/31/57/37/171315737.db2.gz WZKLIGNGROZLNQ-ZDUSSCGKSA-N 1 0 242.407 2.395 10 0 BEAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000035141824 171326537 /nfs/dbraw/zinc/32/65/37/171326537.db2.gz XOPRZLZPJCEUNG-UWVGGRQHSA-N 1 0 240.372 2.313 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1ccc(C)cc1 ZINC000076634135 171333958 /nfs/dbraw/zinc/33/39/58/171333958.db2.gz YJPVNAVVLCRGIO-JSGCOSHPSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000042868571 171338916 /nfs/dbraw/zinc/33/89/16/171338916.db2.gz FRNUAHUNLFTPKN-AVGNSLFASA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N1CCC(C)(C)CC1 ZINC000061821097 171339207 /nfs/dbraw/zinc/33/92/07/171339207.db2.gz MNOUJUGQYKSWGG-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819597 171339510 /nfs/dbraw/zinc/33/95/10/171339510.db2.gz KACHSGYQILSSMV-WCQYABFASA-N 1 0 249.358 2.066 10 0 BEAERO CC[C@H](C)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000037390473 171344079 /nfs/dbraw/zinc/34/40/79/171344079.db2.gz IPIBOMKGNZJBMZ-VIFPVBQESA-N 1 0 203.289 2.451 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1cc(C)ccc1C ZINC000049670762 171345011 /nfs/dbraw/zinc/34/50/11/171345011.db2.gz MANBTZYKHVEIAL-WCQYABFASA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@H](C)[NH2+][C@@](C)(CCc1ccccc1)C(N)=O ZINC000038065333 171347065 /nfs/dbraw/zinc/34/70/65/171347065.db2.gz FNEGOEXIEUGFBC-WFASDCNBSA-N 1 0 248.370 2.251 10 0 BEAERO CC[C@H](C)Oc1cccc(F)c1C(N)=[NH2+] ZINC000036307624 171356365 /nfs/dbraw/zinc/35/63/65/171356365.db2.gz GTQNQCXAIAOVPC-ZETCQYMHSA-N 1 0 210.252 2.287 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)COC2 ZINC000182962835 171372115 /nfs/dbraw/zinc/37/21/15/171372115.db2.gz IEPUCKZLZRLCAE-TVQRCGJNSA-N 1 0 248.326 2.029 10 0 BEAERO CC[C@H](C)[C@@H](N)C[NH+]1CCC(C)(C)CC1 ZINC000061822625 171372454 /nfs/dbraw/zinc/37/24/54/171372454.db2.gz VQBJGTZYSDBTLI-RYUDHWBXSA-N 1 0 212.381 2.482 10 0 BEAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488536 171373493 /nfs/dbraw/zinc/37/34/93/171373493.db2.gz OWXBPYIVSDADSM-QPUJVOFHSA-N 1 0 233.315 2.163 10 0 BEAERO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055138005 171387445 /nfs/dbraw/zinc/38/74/45/171387445.db2.gz KJRRSLVHUZFVTI-NWBUJAPZSA-N 1 0 240.391 2.301 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)cc(C)n1 ZINC000038953721 171396419 /nfs/dbraw/zinc/39/64/19/171396419.db2.gz CSHZFHRZPSMFRY-CABZTGNLSA-N 1 0 235.331 2.010 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969668 171397092 /nfs/dbraw/zinc/39/70/92/171397092.db2.gz QKAXLXMJWQAAAO-SDBXPKJASA-N 1 0 218.300 2.227 10 0 BEAERO [NH3+]CC12CC(C1)CN2C[C@@H]1CCCCC1(F)F ZINC000662305604 412090740 /nfs/dbraw/zinc/09/07/40/412090740.db2.gz KVIXOPMNSVLOJL-CXQJBGSLSA-N 1 0 244.329 2.235 10 0 BEAERO CC[C@H](C[NH3+])Cc1ccc(OC)c(OC)c1 ZINC000011975507 171430026 /nfs/dbraw/zinc/43/00/26/171430026.db2.gz LFSUIQOZMGGTCB-JTQLQIEISA-N 1 0 223.316 2.231 10 0 BEAERO CC[C@H](C[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000041242814 171438091 /nfs/dbraw/zinc/43/80/91/171438091.db2.gz JHFKWYCLJNUMCG-SNVBAGLBSA-N 1 0 223.316 2.417 10 0 BEAERO CC(C)CN(C(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000134215754 412128091 /nfs/dbraw/zinc/12/80/91/412128091.db2.gz MJLUKVLEYPXHJT-GFCCVEGCSA-N 1 0 228.380 2.253 10 0 BEAERO CC[C@H]([NH3+])Cc1nc2c(s1)CCCC2 ZINC000054184155 171485975 /nfs/dbraw/zinc/48/59/75/171485975.db2.gz FDNREHIJMYPJFQ-QMMMGPOBSA-N 1 0 210.346 2.302 10 0 BEAERO CC[C@H]([NH3+])Cc1ccccc1OC[C@H]1CCOC1 ZINC000049689884 171486136 /nfs/dbraw/zinc/48/61/36/171486136.db2.gz UBKNLUGAXGFOPE-JSGCOSHPSA-N 1 0 249.354 2.382 10 0 BEAERO CC[C@H]([NH3+])Cc1noc(-c2ccc(C)nc2C)n1 ZINC000055331728 171486424 /nfs/dbraw/zinc/48/64/24/171486424.db2.gz UBNBLWVHXHCVGY-JTQLQIEISA-N 1 0 246.314 2.028 10 0 BEAERO CC[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000035411236 171492131 /nfs/dbraw/zinc/49/21/31/171492131.db2.gz ZMPMPWHCPORBKP-QMMMGPOBSA-N 1 0 247.298 2.134 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](Nc2cc[nH]n2)C1 ZINC000616617976 412202653 /nfs/dbraw/zinc/20/26/53/412202653.db2.gz OBIXZIQFDKYUAO-JTQLQIEISA-N 1 0 222.336 2.085 10 0 BEAERO CC[C@H]([NH2+]C)[C@@H](C)c1nc(-c2ccco2)no1 ZINC000104164308 171514259 /nfs/dbraw/zinc/51/42/59/171514259.db2.gz UWKQEWUPASQINS-BDAKNGLRSA-N 1 0 235.287 2.431 10 0 BEAERO COc1cccc([C@@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091425309 322929893 /nfs/dbraw/zinc/92/98/93/322929893.db2.gz SVPRWMHUVHDNFY-XSRFYTQQSA-N 1 0 235.327 2.117 10 0 BEAERO CC[C@H]([NH2+]CCNC(=O)C(C)C)C(C)(C)C ZINC000310025563 171522109 /nfs/dbraw/zinc/52/21/09/171522109.db2.gz PCQZHJZXGUBXFP-NSHDSACASA-N 1 0 228.380 2.173 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)C(C)(C)C ZINC000336644146 171537018 /nfs/dbraw/zinc/53/70/18/171537018.db2.gz AEBZFTBYCVKSIV-BHDSKKPTSA-N 1 0 219.394 2.168 10 0 BEAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CC1 ZINC000042579201 171611964 /nfs/dbraw/zinc/61/19/64/171611964.db2.gz VMUPQNLWLGYSAQ-GMXVVIOVSA-N 1 0 238.375 2.212 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1Cc1ccco1 ZINC000083088174 171661692 /nfs/dbraw/zinc/66/16/92/171661692.db2.gz TWKRULQQBDXONX-NWDGAFQWSA-N 1 0 222.332 2.242 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1nc(C)cs1 ZINC000083117981 171666515 /nfs/dbraw/zinc/66/65/15/171666515.db2.gz YLKAYDXMNSSRAC-WDEREUQCSA-N 1 0 239.388 2.418 10 0 BEAERO CC[C@@H](C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000662854524 412324540 /nfs/dbraw/zinc/32/45/40/412324540.db2.gz CIFQYDOCTXPJJH-VOMCLLRMSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@H](C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000662854523 412324810 /nfs/dbraw/zinc/32/48/10/412324810.db2.gz CIFQYDOCTXPJJH-UNXYVOJBSA-N 1 0 226.364 2.056 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)CC ZINC000662855910 412325396 /nfs/dbraw/zinc/32/53/96/412325396.db2.gz XALAEBUTSGWIJL-NXEZZACHSA-N 1 0 214.353 2.055 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)CC ZINC000662855912 412325646 /nfs/dbraw/zinc/32/56/46/412325646.db2.gz XALAEBUTSGWIJL-VHSXEESVSA-N 1 0 214.353 2.055 10 0 BEAERO CC[C@](C)(C[NH2+]C(C)C)CN1CCOC[C@@H]1C ZINC000051216832 171692830 /nfs/dbraw/zinc/69/28/30/171692830.db2.gz XCFWGZZTJXUKOY-UONOGXRCSA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC(C)(C1CC1)C1CC1 ZINC000662915812 412344541 /nfs/dbraw/zinc/34/45/41/412344541.db2.gz PEJBJGYSEFFYGS-LBPRGKRZSA-N 1 0 238.375 2.055 10 0 BEAERO CCc1ccc(-c2nc([C@@H](C)C[NH3+])no2)cc1 ZINC000054158827 171780097 /nfs/dbraw/zinc/78/00/97/171780097.db2.gz UWUSUSLPFDXMJV-VIFPVBQESA-N 1 0 231.299 2.361 10 0 BEAERO c1ccc2sc(NCC34CC(C3)C[NH2+]4)nc2c1 ZINC000663273823 412404663 /nfs/dbraw/zinc/40/46/63/412404663.db2.gz IWXIHDOPEICMGL-UHFFFAOYSA-N 1 0 245.351 2.460 10 0 BEAERO CC(C)c1cc(NCC[C@@H]([NH3+])C(C)C)ncn1 ZINC000663276081 412405683 /nfs/dbraw/zinc/40/56/83/412405683.db2.gz KGKLZPCFHGAXGQ-LLVKDONJSA-N 1 0 236.363 2.385 10 0 BEAERO c1ccc2nc(NCC34CC(C3)C[NH2+]4)ccc2c1 ZINC000663274745 412405704 /nfs/dbraw/zinc/40/57/04/412405704.db2.gz PHFPNXUBLXXROQ-UHFFFAOYSA-N 1 0 239.322 2.399 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000663278472 412407455 /nfs/dbraw/zinc/40/74/55/412407455.db2.gz JEHQFIUSVXLCFI-SSDOTTSWSA-N 1 0 233.237 2.120 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000663279919 412408375 /nfs/dbraw/zinc/40/83/75/412408375.db2.gz VLOXVHMGFCVAPY-SSDOTTSWSA-N 1 0 233.237 2.120 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1ncc(Cl)cc1Cl ZINC000663281615 412409113 /nfs/dbraw/zinc/40/91/13/412409113.db2.gz ZKYKRXASSQNFGV-ZCFIWIBFSA-N 1 0 234.130 2.408 10 0 BEAERO CCc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)o1 ZINC000133699509 171806700 /nfs/dbraw/zinc/80/67/00/171806700.db2.gz HPILEMABVIVNJB-GFCCVEGCSA-N 1 0 225.332 2.339 10 0 BEAERO CCc1ccc([C@](C)(O)C[NH2+]C(C)C)cc1 ZINC000032014048 171846550 /nfs/dbraw/zinc/84/65/50/171846550.db2.gz GHWHCMFKDYLOHT-CQSZACIVSA-N 1 0 221.344 2.455 10 0 BEAERO CCc1ccc2c(c1)OC1(CC[NH2+]CC1)CC2=O ZINC000031817183 171847246 /nfs/dbraw/zinc/84/72/46/171847246.db2.gz CFLYDADSJOEJFU-UHFFFAOYSA-N 1 0 245.322 2.336 10 0 BEAERO CCc1cccc(C)c1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062887609 171854052 /nfs/dbraw/zinc/85/40/52/171854052.db2.gz RXOPFJRISUKBLS-OAHLLOKOSA-N 1 0 246.354 2.496 10 0 BEAERO CCc1cccc(OCCC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000041299367 171864826 /nfs/dbraw/zinc/86/48/26/171864826.db2.gz MIKBEJMOWYZRRF-AWEZNQCLSA-N 1 0 247.338 2.339 10 0 BEAERO CCc1cccc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000020221592 171865859 /nfs/dbraw/zinc/86/58/59/171865859.db2.gz CIROYHRNISVRBL-LBPRGKRZSA-N 1 0 205.301 2.380 10 0 BEAERO CCc1csc(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000061894843 171933834 /nfs/dbraw/zinc/93/38/34/171933834.db2.gz CFVBTLOQJJVHGL-ZJUUUORDSA-N 1 0 225.361 2.387 10 0 BEAERO CCc1nc(COc2cccc([C@@H](C)[NH3+])c2)no1 ZINC000049334637 171991148 /nfs/dbraw/zinc/99/11/48/171991148.db2.gz NBTUUXAHJBVPTC-SECBINFHSA-N 1 0 247.298 2.231 10 0 BEAERO CCc1nc(N[C@H]2CCC[NH2+]C2)cc(C(C)C)n1 ZINC000045955294 172001290 /nfs/dbraw/zinc/00/12/90/172001290.db2.gz SAAKTAJPTAHHNL-NSHDSACASA-N 1 0 248.374 2.326 10 0 BEAERO CCc1nc([C@H](C)[NH2+]CC(C)(C)O)cs1 ZINC000112546954 172006330 /nfs/dbraw/zinc/00/63/30/172006330.db2.gz LUPCDMDEUMIURL-QMMMGPOBSA-N 1 0 228.361 2.127 10 0 BEAERO CCc1nc2ccccc2n1CC[NH2+]C1CC1 ZINC000062807535 172013773 /nfs/dbraw/zinc/01/37/73/172013773.db2.gz NRTRGBWEWODWGC-UHFFFAOYSA-N 1 0 229.327 2.351 10 0 BEAERO CCc1nc2ccccc2n1CCC[NH2+]C ZINC000062807514 172013833 /nfs/dbraw/zinc/01/38/33/172013833.db2.gz SIPXKCINWWZBNY-UHFFFAOYSA-N 1 0 217.316 2.208 10 0 BEAERO CCc1ncc(C[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000037924636 172020400 /nfs/dbraw/zinc/02/04/00/172020400.db2.gz QTYMNYQWEUSXKS-UWVGGRQHSA-N 1 0 240.372 2.099 10 0 BEAERO CCc1nccn1[C@H](c1cccs1)[C@H](C)[NH3+] ZINC000043107482 172028896 /nfs/dbraw/zinc/02/88/96/172028896.db2.gz ZSBGBWXDDSALRC-CABZTGNLSA-N 1 0 235.356 2.444 10 0 BEAERO CCc1nccn1[C@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000106217683 172029105 /nfs/dbraw/zinc/02/91/05/172029105.db2.gz NRUDSSFHPNHHAF-ZDUSSCGKSA-N 1 0 249.358 2.062 10 0 BEAERO CCc1nccn1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042419729 172029386 /nfs/dbraw/zinc/02/93/86/172029386.db2.gz WCRCZJINVLDLRI-WDEREUQCSA-N 1 0 207.321 2.278 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1sccc1C ZINC000043249259 172029439 /nfs/dbraw/zinc/02/94/39/172029439.db2.gz YVNOXANEXAADIJ-SNVBAGLBSA-N 1 0 235.356 2.364 10 0 BEAERO CCc1nccn1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042419620 172029628 /nfs/dbraw/zinc/02/96/28/172029628.db2.gz JVWZJRRXJXKBCM-GHMZBOCLSA-N 1 0 207.321 2.136 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1cccc(C)c1 ZINC000042967870 172029857 /nfs/dbraw/zinc/02/98/57/172029857.db2.gz PSAZALLYWBAQEG-CYBMUJFWSA-N 1 0 229.327 2.302 10 0 BEAERO CCc1nccn1[C@H]([C@H](C)[NH3+])C(C)(C)C ZINC000043295094 172029902 /nfs/dbraw/zinc/02/99/02/172029902.db2.gz SDODAGVXDPROHW-GXSJLCMTSA-N 1 0 209.337 2.380 10 0 BEAERO CCn1c2ccccc2nc1C[NH2+]C1CC1 ZINC000022863912 172144194 /nfs/dbraw/zinc/14/41/94/172144194.db2.gz RKLFIYXCELQLRX-UHFFFAOYSA-N 1 0 215.300 2.308 10 0 BEAERO CCn1c(C[NH3+])nc2cccc(Cl)c21 ZINC000037443879 172144345 /nfs/dbraw/zinc/14/43/45/172144345.db2.gz PIJFLMCXTIJPDX-UHFFFAOYSA-N 1 0 209.680 2.168 10 0 BEAERO CCn1c(C[C@@H]2CCC[NH2+]2)nc2ccc(F)cc21 ZINC000052124612 172144575 /nfs/dbraw/zinc/14/45/75/172144575.db2.gz VESFUDDYECQISB-NSHDSACASA-N 1 0 247.317 2.490 10 0 BEAERO CCn1c(C[NH2+]C(C)(C)C)nc2cccnc21 ZINC000104323661 172144815 /nfs/dbraw/zinc/14/48/15/172144815.db2.gz INZAVLNIFHWRIQ-UHFFFAOYSA-N 1 0 232.331 2.339 10 0 BEAERO CCn1cc(C[C@@]2([NH3+])CCc3ccccc32)cn1 ZINC000050541637 172176952 /nfs/dbraw/zinc/17/69/52/172176952.db2.gz QBEINPXRCXJHKX-HNNXBMFYSA-N 1 0 241.338 2.246 10 0 BEAERO CCn1cc(NC(=[NH2+])NC2CCCCC2)cn1 ZINC000052047264 172177649 /nfs/dbraw/zinc/17/76/49/172177649.db2.gz WKEZHMNBTPWWCP-UHFFFAOYSA-N 1 0 235.335 2.172 10 0 BEAERO CCn1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000035779805 172186602 /nfs/dbraw/zinc/18/66/02/172186602.db2.gz BUCOPUWUESZOBB-NWDGAFQWSA-N 1 0 236.363 2.045 10 0 BEAERO CCn1cc([C@@]2([NH3+])CCC[C@@H](C)C2)cn1 ZINC000043467636 172196536 /nfs/dbraw/zinc/19/65/36/172196536.db2.gz ZAZXCKVCILFMID-ZYHUDNBSSA-N 1 0 207.321 2.267 10 0 BEAERO CCn1cc([C@H]([NH3+])C2CCCCC2)cn1 ZINC000043469294 172198990 /nfs/dbraw/zinc/19/89/90/172198990.db2.gz HHNOHENBGOTDEP-GFCCVEGCSA-N 1 0 207.321 2.483 10 0 BEAERO CCn1cccc1C[NH2+]CCOC(C)C ZINC000158943137 172207353 /nfs/dbraw/zinc/20/73/53/172207353.db2.gz JNVCEKDZRMKMSK-UHFFFAOYSA-N 1 0 210.321 2.023 10 0 BEAERO CCn1cccc1CNCC[N@H+](C)C1CCCC1 ZINC000091127771 172207520 /nfs/dbraw/zinc/20/75/20/172207520.db2.gz UARQUMNZDIQLSW-UHFFFAOYSA-N 1 0 249.402 2.472 10 0 BEAERO CCn1cccc1C[NH2+]CCCCCCO ZINC000234189819 172207589 /nfs/dbraw/zinc/20/75/89/172207589.db2.gz VDWWNBRKSSGDNU-UHFFFAOYSA-N 1 0 224.348 2.150 10 0 BEAERO CCn1cccc1CNC1CC[NH+](C(C)C)CC1 ZINC000091023112 172207602 /nfs/dbraw/zinc/20/76/02/172207602.db2.gz MJFKPUMVEAOFAD-UHFFFAOYSA-N 1 0 249.402 2.470 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000217622724 172207876 /nfs/dbraw/zinc/20/78/76/172207876.db2.gz ORXPIOOHIDOZDI-GFCCVEGCSA-N 1 0 235.375 2.080 10 0 BEAERO CCn1cccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000091127908 172208224 /nfs/dbraw/zinc/20/82/24/172208224.db2.gz RTAFXLQASJSDRQ-OCCSQVGLSA-N 1 0 236.359 2.149 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1CCCSC1 ZINC000220681086 172209165 /nfs/dbraw/zinc/20/91/65/172209165.db2.gz OKMNJUKYYAUEJU-NSHDSACASA-N 1 0 224.373 2.493 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000296676630 172209651 /nfs/dbraw/zinc/20/96/51/172209651.db2.gz GNZRJISEOYHOMA-YPMHNXCESA-N 1 0 222.332 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000336722868 172209696 /nfs/dbraw/zinc/20/96/96/172209696.db2.gz YJGOXWZACHQQRV-CHWSQXEVSA-N 1 0 236.359 2.149 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)CCOC ZINC000085609880 172209742 /nfs/dbraw/zinc/20/97/42/172209742.db2.gz WCPRVFARILTZMM-NSHDSACASA-N 1 0 210.321 2.023 10 0 BEAERO CCn1cc[nH+]c1N[C@@H](C)c1ccccn1 ZINC000050608459 172228336 /nfs/dbraw/zinc/22/83/36/172228336.db2.gz UGLUNXKYAJNRQL-JTQLQIEISA-N 1 0 216.288 2.471 10 0 BEAERO CCn1nc(C)c([C@H](C)[NH2+]CCCOC)c1C ZINC000045168518 172248233 /nfs/dbraw/zinc/24/82/33/172248233.db2.gz ZKYMJILJXKZJRP-JTQLQIEISA-N 1 0 239.363 2.207 10 0 BEAERO CCn1ncc(C[NH3+])c1-c1ccccc1 ZINC000042188719 172254975 /nfs/dbraw/zinc/25/49/75/172254975.db2.gz JRSZAWOEAOBSJT-UHFFFAOYSA-N 1 0 201.273 2.029 10 0 BEAERO CN(C(=O)CC[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000050941475 172305302 /nfs/dbraw/zinc/30/53/02/172305302.db2.gz WSKOMFUAQBVFSS-GFCCVEGCSA-N 1 0 238.375 2.310 10 0 BEAERO CN(C)c1nc(C[C@H]([NH3+])c2ccccc2)cs1 ZINC000054864446 172576012 /nfs/dbraw/zinc/57/60/12/172576012.db2.gz UWNGKZXNCHEGHU-LBPRGKRZSA-N 1 0 247.367 2.452 10 0 BEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)C(C)(C)C ZINC000019843738 172773786 /nfs/dbraw/zinc/77/37/86/172773786.db2.gz HVXQOXUABUPDSS-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CN(C[C@@H]1CCCCO1)c1ccccc1CC[NH3+] ZINC000104276080 172810211 /nfs/dbraw/zinc/81/02/11/172810211.db2.gz FXOURVOBTDVGNL-AWEZNQCLSA-N 1 0 248.370 2.193 10 0 BEAERO CN(C[C@H]1CCCC[NH2+]1)c1nc2ccccc2o1 ZINC000095070843 172827200 /nfs/dbraw/zinc/82/72/00/172827200.db2.gz WVJMJKKMNZIQKZ-LLVKDONJSA-N 1 0 245.326 2.406 10 0 BEAERO CN(Cc1ccccc1)c1cc(N)cc[nH+]1 ZINC000043567957 172873615 /nfs/dbraw/zinc/87/36/15/172873615.db2.gz RQSVHGWHAIDMAW-UHFFFAOYSA-N 1 0 213.284 2.300 10 0 BEAERO CN(c1cccc(C(N)=[NH2+])c1)c1ncccc1F ZINC000061952179 172948268 /nfs/dbraw/zinc/94/82/68/172948268.db2.gz HFOHDEOQSFNWDG-UHFFFAOYSA-N 1 0 244.273 2.273 10 0 BEAERO C[N@@H+]1CCC2=C(C1)N(C(=O)OC(C)(C)C)CC2 ZINC000095347671 173003067 /nfs/dbraw/zinc/00/30/67/173003067.db2.gz GQKUPKSFFHURLR-UHFFFAOYSA-N 1 0 238.331 2.217 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1c1[nH]nc2c1CCCCN2 ZINC000003698248 173008620 /nfs/dbraw/zinc/00/86/20/173008620.db2.gz DZOXZMRPHKDGBV-LLVKDONJSA-N 1 0 234.347 2.315 10 0 BEAERO C[N@@H+]1CCCC[C@H]1CNc1ccc(O)cc1 ZINC000054242466 173009533 /nfs/dbraw/zinc/00/95/33/173009533.db2.gz SADKAIQHCVKNKY-LBPRGKRZSA-N 1 0 220.316 2.288 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)CCO3)C1 ZINC000076679439 173020808 /nfs/dbraw/zinc/02/08/08/173020808.db2.gz OXYXIVCRXLSCPP-CYBMUJFWSA-N 1 0 232.327 2.128 10 0 BEAERO C[N@@H+]1CCC[C@@H]2Cc3cc(O)ccc3C[C@@H]21 ZINC000039209735 173036164 /nfs/dbraw/zinc/03/61/64/173036164.db2.gz UJPVZDLSMSKCGV-RISCZKNCSA-N 1 0 217.312 2.201 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2cccnc2Cl)C1 ZINC000054241327 173041225 /nfs/dbraw/zinc/04/12/25/173041225.db2.gz HYWPHSAFKIREJG-SNVBAGLBSA-N 1 0 239.750 2.489 10 0 BEAERO CN1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000026278759 173080011 /nfs/dbraw/zinc/08/00/11/173080011.db2.gz SXILFPQESHGEGQ-WEVVVXLNSA-N 1 0 230.355 2.337 10 0 BEAERO CN1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000336144923 173085316 /nfs/dbraw/zinc/08/53/16/173085316.db2.gz ZEHQUIVMQDZENI-LLVKDONJSA-N 1 0 232.318 2.059 10 0 BEAERO CN1CC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000061984734 173123937 /nfs/dbraw/zinc/12/39/37/173123937.db2.gz DLWUGAMBKHUCRK-CYBMUJFWSA-N 1 0 243.354 2.004 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2c(F)cccc2F)C1 ZINC000061984924 173125181 /nfs/dbraw/zinc/12/51/81/173125181.db2.gz ITXJERRNDBRPRI-MRVPVSSYSA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccccc2Cl)C1 ZINC000061984650 173125698 /nfs/dbraw/zinc/12/56/98/173125698.db2.gz VLDHZHFNIXNWDC-SECBINFHSA-N 1 0 210.708 2.456 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2cccc(Cl)c2)C1 ZINC000061984633 173156187 /nfs/dbraw/zinc/15/61/87/173156187.db2.gz HKEUUDWVPNNXIJ-NSHDSACASA-N 1 0 210.708 2.456 10 0 BEAERO CN1C[C@H](c2c(Cl)cccc2Cl)NC1=[NH2+] ZINC000027707783 173196216 /nfs/dbraw/zinc/19/62/16/173196216.db2.gz NEBKNCKXVYRHIZ-MRVPVSSYSA-N 1 0 244.125 2.295 10 0 BEAERO C[N@@H+]1C[C@H]2C[C@@]2(c2ccc(F)c(F)c2)C1 ZINC000169708999 173199741 /nfs/dbraw/zinc/19/97/41/173199741.db2.gz WXIVKHRXEAQSCE-SKDRFNHKSA-N 1 0 209.239 2.168 10 0 BEAERO CN1Cc2c(c(Cl)ccc2Cl)[C@@H]1C[NH3+] ZINC000082702807 173200147 /nfs/dbraw/zinc/20/01/47/173200147.db2.gz MNOVYNHTMPZYMU-VIFPVBQESA-N 1 0 231.126 2.439 10 0 BEAERO C[N@@H+]1Cc2ccccc2[C@](O)(c2ccccc2)C1 ZINC000026378481 173202840 /nfs/dbraw/zinc/20/28/40/173202840.db2.gz KEVNEIPRCIYVOT-MRXNPFEDSA-N 1 0 239.318 2.368 10 0 BEAERO CNC(=[NH2+])N1CCC(Cc2ccccc2)CC1 ZINC000052018522 173209729 /nfs/dbraw/zinc/20/97/29/173209729.db2.gz IZQGFXBRLKSOLB-UHFFFAOYSA-N 1 0 231.343 2.095 10 0 BEAERO CNC(=O)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000044988085 173260174 /nfs/dbraw/zinc/26/01/74/173260174.db2.gz LFLKOXWNYLFTHG-SECBINFHSA-N 1 0 240.734 2.127 10 0 BEAERO CNC(=O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000044988495 173260359 /nfs/dbraw/zinc/26/03/59/173260359.db2.gz LEPAICXTQGNAPK-GFCCVEGCSA-N 1 0 234.343 2.090 10 0 BEAERO CNC(=O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000037207551 173278035 /nfs/dbraw/zinc/27/80/35/173278035.db2.gz WATKTPWJMQEQOK-LLVKDONJSA-N 1 0 234.343 2.207 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000042560560 173295755 /nfs/dbraw/zinc/29/57/55/173295755.db2.gz BVZLURXTJFSSKV-VXGBXAGGSA-N 1 0 234.343 2.089 10 0 BEAERO CNC(=O)[C@@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000042571586 173295792 /nfs/dbraw/zinc/29/57/92/173295792.db2.gz XFLQMUKMAPLVSA-SNVBAGLBSA-N 1 0 243.310 2.090 10 0 BEAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000042560575 173303207 /nfs/dbraw/zinc/30/32/07/173303207.db2.gz FPPDGPPGRCFVSU-STQMWFEESA-N 1 0 248.370 2.397 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)C1CCCCCC1 ZINC000061300555 173317881 /nfs/dbraw/zinc/31/78/81/173317881.db2.gz BLFTYRSMQXMRAR-UHFFFAOYSA-N 1 0 226.364 2.166 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000061316670 173318455 /nfs/dbraw/zinc/31/84/55/173318455.db2.gz ZVDXRTVNTUQNNX-LBPRGKRZSA-N 1 0 248.370 2.479 10 0 BEAERO C[NH2+]C(C)(C)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000061319701 173319238 /nfs/dbraw/zinc/31/92/38/173319238.db2.gz IEAJRZSCLULCBV-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(SC)c1 ZINC000061300047 173319749 /nfs/dbraw/zinc/31/97/49/173319749.db2.gz WUBKSZYFGGUCBW-UHFFFAOYSA-N 1 0 238.356 2.345 10 0 BEAERO C[NH2+]C(C)(C)c1nc2cc(C)ccc2[nH]1 ZINC000061149787 173321264 /nfs/dbraw/zinc/32/12/64/173321264.db2.gz PDWVOVWHFXWWJV-UHFFFAOYSA-N 1 0 203.289 2.326 10 0 BEAERO C[NH2+]C(C)(C)c1nc2cc(F)ccc2[nH]1 ZINC000061149803 173321301 /nfs/dbraw/zinc/32/13/01/173321301.db2.gz GEMOXQWGQBLWAC-UHFFFAOYSA-N 1 0 207.252 2.157 10 0 BEAERO C[NH2+]C1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000050701819 173322900 /nfs/dbraw/zinc/32/29/00/173322900.db2.gz NDIAGGWRXWLAGP-UHFFFAOYSA-N 1 0 248.370 2.187 10 0 BEAERO C[NH2+]C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000049668414 173323040 /nfs/dbraw/zinc/32/30/40/173323040.db2.gz YJZITRXHHQDCSD-UHFFFAOYSA-N 1 0 232.371 2.487 10 0 BEAERO C[NH2+]C1CCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000037536472 173323188 /nfs/dbraw/zinc/32/31/88/173323188.db2.gz GRFHJICWUPMCGI-UHFFFAOYSA-N 1 0 246.354 2.127 10 0 BEAERO C[NH2+]C1CCN([C@@H](C)CCc2ccco2)CC1 ZINC000049568566 173323737 /nfs/dbraw/zinc/32/37/37/173323737.db2.gz IDULCITTWSTMPQ-LBPRGKRZSA-N 1 0 236.359 2.285 10 0 BEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccccn1 ZINC000054628126 173324451 /nfs/dbraw/zinc/32/44/51/173324451.db2.gz CXTIOVDEIAMLAK-FUDCBSFHSA-N 1 0 245.370 2.357 10 0 BEAERO C[NH2+]CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000041613014 173335780 /nfs/dbraw/zinc/33/57/80/173335780.db2.gz ZFYRZMLHALTOPF-UHFFFAOYSA-N 1 0 218.083 2.396 10 0 BEAERO C[NH2+]CC1(c2cccc(OC)c2)CCC1 ZINC000053739513 173337443 /nfs/dbraw/zinc/33/74/43/173337443.db2.gz DQXNLMCSKFCVJI-UHFFFAOYSA-N 1 0 205.301 2.336 10 0 BEAERO C[NH2+]CCCC(=O)N1CCC(C(C)(C)C)CC1 ZINC000050348689 173343390 /nfs/dbraw/zinc/34/33/90/173343390.db2.gz NPTQDJCQQXGXKT-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO C[NH2+]CCCCCC(=O)N1CCCCCC1 ZINC000077340269 173345074 /nfs/dbraw/zinc/34/50/74/173345074.db2.gz ZIFYBVPRYPNOPG-UHFFFAOYSA-N 1 0 226.364 2.169 10 0 BEAERO C[NH2+]CCCCc1cc(F)ccc1OC ZINC000036158782 173345739 /nfs/dbraw/zinc/34/57/39/173345739.db2.gz MXCIMIWYTJFQLG-UHFFFAOYSA-N 1 0 211.280 2.376 10 0 BEAERO C[NH2+]CCCOCc1ccc2c(c1)CCC2 ZINC000077329307 173349373 /nfs/dbraw/zinc/34/93/73/173349373.db2.gz XSPWUXCNAFGHQR-UHFFFAOYSA-N 1 0 219.328 2.301 10 0 BEAERO C[NH2+]CCCNCc1cccc(F)c1Cl ZINC000083357737 173349506 /nfs/dbraw/zinc/34/95/06/173349506.db2.gz CRWFORLRENHFPY-UHFFFAOYSA-N 1 0 230.714 2.178 10 0 BEAERO C[NH2+]CCCOCc1cn(C)c2ccccc12 ZINC000077364519 173349783 /nfs/dbraw/zinc/34/97/83/173349783.db2.gz JETBPTWYJDLYEK-UHFFFAOYSA-N 1 0 232.327 2.304 10 0 BEAERO C[NH2+]CCCc1ccc(F)c(F)c1F ZINC000070639075 173350342 /nfs/dbraw/zinc/35/03/42/173350342.db2.gz ROEOFUVAVHSVOE-UHFFFAOYSA-N 1 0 203.207 2.256 10 0 BEAERO C[NH2+]CCCc1c(C)nc(C2CC2)nc1C ZINC000054837373 173350589 /nfs/dbraw/zinc/35/05/89/173350589.db2.gz BSDSCHQVKNJFOH-UHFFFAOYSA-N 1 0 219.332 2.123 10 0 BEAERO C[NH2+]CCCc1c(C)cc2ccccn21 ZINC000001845123 173350631 /nfs/dbraw/zinc/35/06/31/173350631.db2.gz TWNBNFVHULVIPG-UHFFFAOYSA-N 1 0 202.301 2.400 10 0 BEAERO C[NH2+]CCN(C)c1ccc(C(C)C)cc1OC ZINC000107290861 173353698 /nfs/dbraw/zinc/35/36/98/173353698.db2.gz GVKLEPJQJXBORM-UHFFFAOYSA-N 1 0 236.359 2.474 10 0 BEAERO C[NH2+]CCOCc1ccc(C(F)(F)F)cc1 ZINC000051841809 173356604 /nfs/dbraw/zinc/35/66/04/173356604.db2.gz KGGCSTYMWWLDFH-UHFFFAOYSA-N 1 0 233.233 2.441 10 0 BEAERO C[NH2+]CCNc1ccccc1Br ZINC000053387733 173356850 /nfs/dbraw/zinc/35/68/50/173356850.db2.gz LGWFUHYDXWELOV-UHFFFAOYSA-N 1 0 229.121 2.080 10 0 BEAERO C[NH2+]CCOCc1cc(C)c(OC)cc1C ZINC000077336066 173357135 /nfs/dbraw/zinc/35/71/35/173357135.db2.gz SWEAJSMNKDCTSB-UHFFFAOYSA-N 1 0 223.316 2.048 10 0 BEAERO C[NH2+]CCSc1nc2cc(C)ccc2[nH]1 ZINC000061440665 173357497 /nfs/dbraw/zinc/35/74/97/173357497.db2.gz STTKVCOIPFAZKE-UHFFFAOYSA-N 1 0 221.329 2.183 10 0 BEAERO C[NH2+]CCOc1ccc2c(c1)CCCC2 ZINC000032010488 173357890 /nfs/dbraw/zinc/35/78/90/173357890.db2.gz VNQBQHAMWXMJBI-UHFFFAOYSA-N 1 0 205.301 2.164 10 0 BEAERO C[NH2+]CCOc1ccnc2cc(Cl)ccc21 ZINC000051866685 173357932 /nfs/dbraw/zinc/35/79/32/173357932.db2.gz KDLRBGKTXGYRRT-UHFFFAOYSA-N 1 0 236.702 2.486 10 0 BEAERO C[NH2+]CC[C@H](C)n1nc(C)c(Cl)c1C ZINC000052573872 173358188 /nfs/dbraw/zinc/35/81/88/173358188.db2.gz GYFLLUCHONHAMD-ZETCQYMHSA-N 1 0 215.728 2.324 10 0 BEAERO C[NH2+]CC[C@@H](O)c1ccc(OC)c(C(C)C)c1 ZINC000049828979 173358314 /nfs/dbraw/zinc/35/83/14/173358314.db2.gz OKPODHCFYMZADO-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO C[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000053301889 173360645 /nfs/dbraw/zinc/36/06/45/173360645.db2.gz QOGWLMDFIDRFDL-UHFFFAOYSA-N 1 0 203.207 2.467 10 0 BEAERO C[NH2+]CCc1nc2cc(Cl)ccc2o1 ZINC000043599024 173360784 /nfs/dbraw/zinc/36/07/84/173360784.db2.gz FEBKTFWUOFPEBT-UHFFFAOYSA-N 1 0 210.664 2.243 10 0 BEAERO C[NH2+]CCc1nc2ccc(F)cc2s1 ZINC000082951720 173361356 /nfs/dbraw/zinc/36/13/56/173361356.db2.gz FWJUSFRAVUVSKK-UHFFFAOYSA-N 1 0 210.277 2.197 10 0 BEAERO C[NH2+]CCc1nnc(-c2ccc(C)cc2C)o1 ZINC000050619470 173361741 /nfs/dbraw/zinc/36/17/41/173361741.db2.gz WXACDZXLGPUPSA-UHFFFAOYSA-N 1 0 231.299 2.115 10 0 BEAERO C[NH2+]CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000050619675 173361822 /nfs/dbraw/zinc/36/18/22/173361822.db2.gz AKOPNSRIWBZIEL-UHFFFAOYSA-N 1 0 237.690 2.152 10 0 BEAERO C[NH2+]C[C@@H](C)CCOc1ccc2c(c1)OCO2 ZINC000041278567 173364323 /nfs/dbraw/zinc/36/43/23/173364323.db2.gz RHGHHFLDUHVUJE-JTQLQIEISA-N 1 0 237.299 2.040 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1ccc(F)cc1Cl ZINC000052645720 173364844 /nfs/dbraw/zinc/36/48/44/173364844.db2.gz LVTJWEPEKLNAMS-SSDOTTSWSA-N 1 0 217.671 2.466 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000052693198 173364871 /nfs/dbraw/zinc/36/48/71/173364871.db2.gz SOHHVVUWOWFNJM-SNVBAGLBSA-N 1 0 205.301 2.162 10 0 BEAERO C[NH2+]C[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000041237565 173364948 /nfs/dbraw/zinc/36/49/48/173364948.db2.gz BZOKLFXRDKUIKL-SNVBAGLBSA-N 1 0 221.300 2.171 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1cccc2c1OC(C)(C)C2 ZINC000052654283 173365202 /nfs/dbraw/zinc/36/52/02/173365202.db2.gz XQHDVDQZSVNYAJ-SNVBAGLBSA-N 1 0 235.327 2.387 10 0 BEAERO C[NH2+]C[C@@H](O)CSc1cccc(Cl)c1 ZINC000019687013 173365709 /nfs/dbraw/zinc/36/57/09/173365709.db2.gz RBXBLRJRMNDOOP-SECBINFHSA-N 1 0 231.748 2.012 10 0 BEAERO C[NH2+]C[C@@H](O)COc1cc(C(C)C)ccc1C ZINC000038052998 173365598 /nfs/dbraw/zinc/36/55/98/173365598.db2.gz SSNNVSORDVMKRW-CYBMUJFWSA-N 1 0 237.343 2.078 10 0 BEAERO C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000013515359 173366378 /nfs/dbraw/zinc/36/63/78/173366378.db2.gz JXQCVKCHXCEYSQ-SECBINFHSA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@@H](Sc1nccn1C)c1ccccc1 ZINC000053612857 173366637 /nfs/dbraw/zinc/36/66/37/173366637.db2.gz XVOCJGCTASCWNG-GFCCVEGCSA-N 1 0 247.367 2.473 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1Cc1cccc(OC)c1 ZINC000042407843 173366873 /nfs/dbraw/zinc/36/68/73/173366873.db2.gz FXYFNXJEJZHLQR-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO C[NH2+]C[C@@H](O[C@@H]1CCOC1)c1ccccc1C ZINC000104112486 173367067 /nfs/dbraw/zinc/36/70/67/173367067.db2.gz VCDPLYQKTOSFPL-TZMCWYRMSA-N 1 0 235.327 2.061 10 0 BEAERO C[NH2+]C[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000041266362 173367078 /nfs/dbraw/zinc/36/70/78/173367078.db2.gz FTJOSMBURYHLAV-GFCCVEGCSA-N 1 0 235.327 2.417 10 0 BEAERO C[NH2+]C[C@@H](OC1CCOCC1)c1cccc(C)c1 ZINC000050485881 173367118 /nfs/dbraw/zinc/36/71/18/173367118.db2.gz AYTDMLMJRFSINA-OAHLLOKOSA-N 1 0 249.354 2.451 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000011892219 173370368 /nfs/dbraw/zinc/37/03/68/173370368.db2.gz CMYDUZJDNHJDED-JTQLQIEISA-N 1 0 224.735 2.386 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1c(F)cccc1F ZINC000054589241 173372029 /nfs/dbraw/zinc/37/20/29/173372029.db2.gz WLROTXGEWMOEQL-QPUJVOFHSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@@](C)(CN(C)C1CC1)c1ccccc1 ZINC000051215175 173372345 /nfs/dbraw/zinc/37/23/45/173372345.db2.gz XCBJOVUIEXZWJE-HNNXBMFYSA-N 1 0 232.371 2.258 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1c(C)cc(C)cc1C ZINC000036158344 173372519 /nfs/dbraw/zinc/37/25/19/173372519.db2.gz AFOPVXHRQYURSD-CYBMUJFWSA-N 1 0 207.317 2.039 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1c(F)cccc1F ZINC000054589240 173372807 /nfs/dbraw/zinc/37/28/07/173372807.db2.gz WLROTXGEWMOEQL-UFBFGSQYSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@@]1(Cc2cccc(C)c2)CCOC1 ZINC000054663830 173373381 /nfs/dbraw/zinc/37/33/81/173373381.db2.gz OYAQDSSRIHJOMR-AWEZNQCLSA-N 1 0 219.328 2.164 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccccc1C(F)(F)F ZINC000055032687 173373554 /nfs/dbraw/zinc/37/35/54/173373554.db2.gz LXGMAAFHRACVKJ-SNVBAGLBSA-N 1 0 233.233 2.132 10 0 BEAERO C[NH2+]C[C@@]1(CCOCCC(C)C)CCOC1 ZINC000054663942 173373672 /nfs/dbraw/zinc/37/36/72/173373672.db2.gz LMZOOSFXIMLPBX-CYBMUJFWSA-N 1 0 229.364 2.065 10 0 BEAERO C[NH2+]C[C@H](C)c1cc(OC)c(OC)cc1OC ZINC000096889943 173376184 /nfs/dbraw/zinc/37/61/84/173376184.db2.gz YOOIIPJBBYGGDD-VIFPVBQESA-N 1 0 239.315 2.035 10 0 BEAERO C[NH2+]C[C@H](O)CSc1cccc(Cl)c1 ZINC000019687015 173376517 /nfs/dbraw/zinc/37/65/17/173376517.db2.gz RBXBLRJRMNDOOP-VIFPVBQESA-N 1 0 231.748 2.012 10 0 BEAERO C[NH2+]C[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000041266366 173378114 /nfs/dbraw/zinc/37/81/14/173378114.db2.gz FTJOSMBURYHLAV-LBPRGKRZSA-N 1 0 235.327 2.417 10 0 BEAERO C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000039978697 173378259 /nfs/dbraw/zinc/37/82/59/173378259.db2.gz XBWHTAJATCHJOB-CYBMUJFWSA-N 1 0 204.317 2.043 10 0 BEAERO C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccco2)C1 ZINC000040592764 173379262 /nfs/dbraw/zinc/37/92/62/173379262.db2.gz AQXKHBVIZOEKEC-NWDGAFQWSA-N 1 0 222.332 2.272 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000011892229 173381893 /nfs/dbraw/zinc/38/18/93/173381893.db2.gz KQZRTHFJBLGEJI-SNVBAGLBSA-N 1 0 224.735 2.386 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cccc(C)c2)C1 ZINC000011892130 173382257 /nfs/dbraw/zinc/38/22/57/173382257.db2.gz BSKSGUFVODPIFZ-GFCCVEGCSA-N 1 0 204.317 2.041 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(C)cc2F)C1 ZINC000053013073 173382332 /nfs/dbraw/zinc/38/23/32/173382332.db2.gz OFMIDAKXXFTBPW-LLVKDONJSA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1ccccc1OC ZINC000054590109 173382932 /nfs/dbraw/zinc/38/29/32/173382932.db2.gz DIUJWQHMGRSKEO-ZWNOBZJWSA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@H]1Cc2ccccc2CN1C(C)C ZINC000051860073 173383376 /nfs/dbraw/zinc/38/33/76/173383376.db2.gz MIKXIVNZXUSYHJ-CQSZACIVSA-N 1 0 218.344 2.041 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccc(F)c(F)c1 ZINC000054589522 173383481 /nfs/dbraw/zinc/38/34/81/173383481.db2.gz QWENKPVCPFLGHD-BXKDBHETSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@](C)(O)c1cc(C)c(C)cc1C ZINC000071510818 173383492 /nfs/dbraw/zinc/38/34/92/173383492.db2.gz HGWPNSCNXPUALX-ZDUSSCGKSA-N 1 0 207.317 2.039 10 0 BEAERO C[NH2+]C[C@]1(Cc2ccc(C)cc2)CCOC1 ZINC000054663824 173383733 /nfs/dbraw/zinc/38/37/33/173383733.db2.gz VENLBMPCVILIOR-CQSZACIVSA-N 1 0 219.328 2.164 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1N(C)C1CC1 ZINC000037236579 173387230 /nfs/dbraw/zinc/38/72/30/173387230.db2.gz QJCQQOYAUIHFAY-UHFFFAOYSA-N 1 0 208.280 2.144 10 0 BEAERO C[NH2+]Cc1cc(COc2cccnc2)oc1C ZINC000052646439 173387344 /nfs/dbraw/zinc/38/73/44/173387344.db2.gz UZDSUGFPUJZJBN-UHFFFAOYSA-N 1 0 232.283 2.281 10 0 BEAERO C[NH2+]Cc1ccc(OC[C@H]2CC=CC[C@@H]2C)nn1 ZINC000051543059 173389205 /nfs/dbraw/zinc/38/92/05/173389205.db2.gz QRHZMADNJPTQCK-NWDGAFQWSA-N 1 0 247.342 2.177 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)CCSC)c1 ZINC000036282467 173389467 /nfs/dbraw/zinc/38/94/67/173389467.db2.gz SMULRCRWWUUAPE-UHFFFAOYSA-N 1 0 238.356 2.098 10 0 BEAERO C[NH2+]Cc1cccc(OC)c1OCC(F)(F)F ZINC000035413541 173389607 /nfs/dbraw/zinc/38/96/07/173389607.db2.gz FYIZEMMFLYHQFX-UHFFFAOYSA-N 1 0 249.232 2.356 10 0 BEAERO C[NH2+]Cc1cccc(OCc2ccncc2)c1 ZINC000034816142 173389622 /nfs/dbraw/zinc/38/96/22/173389622.db2.gz BCIZGMOVNGJJBC-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]Cc1ccccc1COC[C@H]1CCCO1 ZINC000052626425 173390247 /nfs/dbraw/zinc/39/02/47/173390247.db2.gz ATYPVWUSCWJHTD-CQSZACIVSA-N 1 0 235.327 2.102 10 0 BEAERO C[NH2+]Cc1ccccc1N(C)Cc1ccncc1 ZINC000036776684 173390617 /nfs/dbraw/zinc/39/06/17/173390617.db2.gz FKAUHGWJEMIHQI-UHFFFAOYSA-N 1 0 241.338 2.437 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)c1ccco1 ZINC000036280783 173390729 /nfs/dbraw/zinc/39/07/29/173390729.db2.gz QDCVUWCRPNTBSM-UHFFFAOYSA-N 1 0 230.267 2.251 10 0 BEAERO C[NH2+]Cc1ccnc(N2CCC[C@H](C)CC2)c1 ZINC000104352163 173391031 /nfs/dbraw/zinc/39/10/31/173391031.db2.gz HSIJRQTVWDLKRM-LBPRGKRZSA-N 1 0 233.359 2.427 10 0 BEAERO C[NH2+]Cc1ccnc(-c2ccc(C)cc2)n1 ZINC000045206117 173391097 /nfs/dbraw/zinc/39/10/97/173391097.db2.gz LFMOLRCRXSRGGW-UHFFFAOYSA-N 1 0 213.284 2.171 10 0 BEAERO C[NH2+]Cc1cnc(CCOc2ccccc2)s1 ZINC000052331367 173392475 /nfs/dbraw/zinc/39/24/75/173392475.db2.gz OOWMPVQJWGTHNM-UHFFFAOYSA-N 1 0 248.351 2.484 10 0 BEAERO C[NH2+]Cc1cnc(N2CCC[C@@H]2C)c(Cl)c1 ZINC000051398881 173392652 /nfs/dbraw/zinc/39/26/52/173392652.db2.gz YBBNWRQDPZQSCZ-VIFPVBQESA-N 1 0 239.750 2.443 10 0 BEAERO C[NH2+]Cc1nc(N2CCC[C@H]2C)ccc1Cl ZINC000051398778 173394818 /nfs/dbraw/zinc/39/48/18/173394818.db2.gz LSQCXAONZIGFQB-SECBINFHSA-N 1 0 239.750 2.443 10 0 BEAERO C[NH2+]Cc1nc(-c2cccs2)c(C)[nH]1 ZINC000041062185 173395942 /nfs/dbraw/zinc/39/59/42/173395942.db2.gz ZADUKHNNKFBVKU-UHFFFAOYSA-N 1 0 207.302 2.166 10 0 BEAERO C[NH2+]Cc1nccn1Cc1cccc(Cl)c1 ZINC000035635653 173397891 /nfs/dbraw/zinc/39/78/91/173397891.db2.gz QFNGKPQBPQXCNP-UHFFFAOYSA-N 1 0 235.718 2.304 10 0 BEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)N(C)C)c1 ZINC000041712249 173420152 /nfs/dbraw/zinc/42/01/52/173420152.db2.gz RXDKBDOHEQLENM-VIFPVBQESA-N 1 0 221.304 2.061 10 0 BEAERO C[NH2+][C@@H]1CC[S@](=O)c2c(Cl)cccc21 ZINC000040974070 173438847 /nfs/dbraw/zinc/43/88/47/173438847.db2.gz DBJCJGYVONEIKQ-YMTOWFKASA-N 1 0 229.732 2.112 10 0 BEAERO C[NH2+][C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000052886581 173448285 /nfs/dbraw/zinc/44/82/85/173448285.db2.gz CFJTZUKETSMZME-SNVBAGLBSA-N 1 0 213.284 2.424 10 0 BEAERO C[NH2+][C@H](COC)Cc1ccccc1C(F)(F)F ZINC000063026790 173453215 /nfs/dbraw/zinc/45/32/15/173453215.db2.gz GZAFKTGKPUXJIG-JTQLQIEISA-N 1 0 247.260 2.482 10 0 BEAERO C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1C[C@@H]1C ZINC000035500769 173457074 /nfs/dbraw/zinc/45/70/74/173457074.db2.gz ZVZXABPHBCHFSP-LPBBDHJYSA-N 1 0 232.283 2.038 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)COC2)[C@H]1CCCOC1 ZINC000062332778 173457770 /nfs/dbraw/zinc/45/77/70/173457770.db2.gz ZNBOLNPJTKVXLB-DZGCQCFKSA-N 1 0 247.338 2.404 10 0 BEAERO C[NH2+][C@H]1CCC[C@@H]1n1nc(C)c(C)c1C ZINC000044032989 173462938 /nfs/dbraw/zinc/46/29/38/173462938.db2.gz RNCLCKVQSLMTET-RYUDHWBXSA-N 1 0 207.321 2.121 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(C)cc2C)C1 ZINC000037241768 173467061 /nfs/dbraw/zinc/46/70/61/173467061.db2.gz LHPFAWSICHXGLU-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO COC(=O)CC[NH2+]Cc1ccc(Cl)s1 ZINC000036804721 173562162 /nfs/dbraw/zinc/56/21/62/173562162.db2.gz HGXGVTCWUUSFHK-UHFFFAOYSA-N 1 0 233.720 2.054 10 0 BEAERO COC1CCN([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000037265850 174029989 /nfs/dbraw/zinc/02/99/89/174029989.db2.gz SGSZFRWGDDXRJB-HNNXBMFYSA-N 1 0 248.370 2.106 10 0 BEAERO COCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000117876625 174189571 /nfs/dbraw/zinc/18/95/71/174189571.db2.gz NHAHBZDEWJCUOS-UHFFFAOYSA-N 1 0 237.347 2.016 10 0 BEAERO COCCCN(C)[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000062029283 174220067 /nfs/dbraw/zinc/22/00/67/174220067.db2.gz GUATVCWFYCWGFW-JSGCOSHPSA-N 1 0 236.359 2.043 10 0 BEAERO COCCCN(CCC[NH3+])c1ccc(C)cc1 ZINC000037753561 174222528 /nfs/dbraw/zinc/22/25/28/174222528.db2.gz FUWPUXXJLVUYPV-UHFFFAOYSA-N 1 0 236.359 2.187 10 0 BEAERO COCCC[N@H+](Cc1cccc(N)c1)C1CC1 ZINC000037753932 174225791 /nfs/dbraw/zinc/22/57/91/174225791.db2.gz POUNPZOSFQATRM-UHFFFAOYSA-N 1 0 234.343 2.270 10 0 BEAERO COCCC[NH2+]CCOC/C=C/c1ccccc1 ZINC000053559914 174247522 /nfs/dbraw/zinc/24/75/22/174247522.db2.gz QBUHZLISEMYWAY-WEVVVXLNSA-N 1 0 249.354 2.343 10 0 BEAERO COCCCOC[C@@H]([NH3+])c1cc(C)ccc1C ZINC000037747141 174254712 /nfs/dbraw/zinc/25/47/12/174254712.db2.gz TXBNSXFEECQVCT-CQSZACIVSA-N 1 0 237.343 2.356 10 0 BEAERO COCCCOC[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000037747187 174254969 /nfs/dbraw/zinc/25/49/69/174254969.db2.gz QQMWCPMIXMVOCY-CQSZACIVSA-N 1 0 237.343 2.356 10 0 BEAERO COCCCOC[C@H]([NH3+])c1cc2ccccc2o1 ZINC000037747189 174255466 /nfs/dbraw/zinc/25/54/66/174255466.db2.gz NBLVKVVAKFEPGF-LBPRGKRZSA-N 1 0 249.310 2.486 10 0 BEAERO COCC[N@H+]([C@@H](C)c1ccc(N)cc1)C1CC1 ZINC000042517322 174285466 /nfs/dbraw/zinc/28/54/66/174285466.db2.gz CBLDMEQADNJUIO-NSHDSACASA-N 1 0 234.343 2.441 10 0 BEAERO COCC[N@H+](CC1(CO)CCCCC1)C1CC1 ZINC000051294644 174288254 /nfs/dbraw/zinc/28/82/54/174288254.db2.gz ZOSJWAHCHOQBTL-UHFFFAOYSA-N 1 0 241.375 2.040 10 0 BEAERO COCC[N@H+]([C@H](C)C1CC1)[C@@H]1CCCCC1=O ZINC000042680791 174302172 /nfs/dbraw/zinc/30/21/72/174302172.db2.gz RHDGPCHZWQWBET-DGCLKSJQSA-N 1 0 239.359 2.245 10 0 BEAERO COCCN(c1ccc(C[C@H](C)[NH3+])cc1)C1CC1 ZINC000104271171 174302484 /nfs/dbraw/zinc/30/24/84/174302484.db2.gz GLYOBLURICVJFG-LBPRGKRZSA-N 1 0 248.370 2.192 10 0 BEAERO COCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000058525516 174307632 /nfs/dbraw/zinc/30/76/32/174307632.db2.gz OPSBZOSIDNNWIU-CQSZACIVSA-N 1 0 249.354 2.349 10 0 BEAERO COCC[NH2+]CCCCOc1ccccc1C ZINC000041582310 174332654 /nfs/dbraw/zinc/33/26/54/174332654.db2.gz WGBRVZUFFHTWNQ-UHFFFAOYSA-N 1 0 237.343 2.390 10 0 BEAERO COCC[NH2+]CCCOc1ccc(C)c(C)c1 ZINC000047943329 174332679 /nfs/dbraw/zinc/33/26/79/174332679.db2.gz FALHGFWHPWAUCT-UHFFFAOYSA-N 1 0 237.343 2.308 10 0 BEAERO COCC[NH2+]CCn1c(C)cc2ccccc21 ZINC000053525774 174333074 /nfs/dbraw/zinc/33/30/74/174333074.db2.gz IXXAFJQURLRSRV-UHFFFAOYSA-N 1 0 232.327 2.186 10 0 BEAERO COCC[NH2+]C[C@H](C)Cc1ccc(F)cc1F ZINC000054659969 174334889 /nfs/dbraw/zinc/33/48/89/174334889.db2.gz XCZFLKKKXWQMTR-SNVBAGLBSA-N 1 0 243.297 2.379 10 0 BEAERO COCCO[C@]1(C[NH2+]C2CC2)CCC[C@H](C)C1 ZINC000050504584 174366897 /nfs/dbraw/zinc/36/68/97/174366897.db2.gz CTDMCEDILWRHDQ-GXTWGEPZSA-N 1 0 241.375 2.350 10 0 BEAERO COCCO[C@H](C[NH2+]C1CC1)c1cccc(C)c1 ZINC000050495807 174367078 /nfs/dbraw/zinc/36/70/78/174367078.db2.gz MQSYRGDRRBRIIP-OAHLLOKOSA-N 1 0 249.354 2.451 10 0 BEAERO COCCOc1ccc(C[C@@H]2CCC[NH2+]2)cc1 ZINC000071545895 174368722 /nfs/dbraw/zinc/36/87/22/174368722.db2.gz GNFVRBKGDLLJBW-ZDUSSCGKSA-N 1 0 235.327 2.006 10 0 BEAERO COCCOc1ccc(C[C@@H]2CCCC[NH2+]2)cc1 ZINC000107294202 174368773 /nfs/dbraw/zinc/36/87/73/174368773.db2.gz XHDGPDWPMQBHLX-AWEZNQCLSA-N 1 0 249.354 2.396 10 0 BEAERO COCCOc1ccc(C[C@H]2CCCC[NH2+]2)cc1 ZINC000107294205 174369041 /nfs/dbraw/zinc/36/90/41/174369041.db2.gz XHDGPDWPMQBHLX-CQSZACIVSA-N 1 0 249.354 2.396 10 0 BEAERO COC[C@@](C)([NH3+])Cc1ccc(Cl)s1 ZINC000053762011 174521655 /nfs/dbraw/zinc/52/16/55/174521655.db2.gz WGHRRSGLADQAEM-VIFPVBQESA-N 1 0 219.737 2.308 10 0 BEAERO COC[C@H](C)N(C)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000042518510 174538073 /nfs/dbraw/zinc/53/80/73/174538073.db2.gz VOJISCBYVMODFA-VHSXEESVSA-N 1 0 240.322 2.317 10 0 BEAERO COC[C@H](C)[NH2+]CCN(C)[C@H]1CCC[C@H](C)C1 ZINC000053426198 174547671 /nfs/dbraw/zinc/54/76/71/174547671.db2.gz XECKOPOMHQFYFR-IHRRRGAJSA-N 1 0 242.407 2.121 10 0 BEAERO COC[C@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000178066861 174551446 /nfs/dbraw/zinc/55/14/46/174551446.db2.gz UAZLNIGGHULWAO-QWHCGFSZSA-N 1 0 237.343 2.216 10 0 BEAERO COC[C@](C)([NH3+])Cc1ccc(Cl)s1 ZINC000053762008 174615037 /nfs/dbraw/zinc/61/50/37/174615037.db2.gz WGHRRSGLADQAEM-SECBINFHSA-N 1 0 219.737 2.308 10 0 BEAERO COCc1cccc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000083968332 174631769 /nfs/dbraw/zinc/63/17/69/174631769.db2.gz IPABVYIOIXQMRI-GWCFXTLKSA-N 1 0 205.301 2.331 10 0 BEAERO COc1cc(C)cc(C)c1[C@H](O)C[NH2+]C1CC1 ZINC000083266742 174964816 /nfs/dbraw/zinc/96/48/16/174964816.db2.gz APXHRKQBCNHFDH-GFCCVEGCSA-N 1 0 235.327 2.097 10 0 BEAERO COc1cc(NCCC[NH+]2CCCC2)ccc1N ZINC000104249355 175001386 /nfs/dbraw/zinc/00/13/86/175001386.db2.gz BLPWJZQWLUSJCR-UHFFFAOYSA-N 1 0 249.358 2.175 10 0 BEAERO COc1cc(OC)c([C@@H]([NH3+])C(C)C)cc1OC ZINC000083256092 175007845 /nfs/dbraw/zinc/00/78/45/175007845.db2.gz WVEDUSGWNXYHCR-ZDUSSCGKSA-N 1 0 239.315 2.368 10 0 BEAERO COc1cc([C@@H](C)[NH3+])c(OC)cc1Cl ZINC000071464443 175013308 /nfs/dbraw/zinc/01/33/08/175013308.db2.gz VXUYGGVSHCMLJM-ZCFIWIBFSA-N 1 0 215.680 2.377 10 0 BEAERO COc1cc([C@@H]2C[C@@H](C)C[NH2+]2)ccc1O ZINC000003705193 175015094 /nfs/dbraw/zinc/01/50/94/175015094.db2.gz WTTBMYUITMZBTK-SCZZXKLOSA-N 1 0 207.273 2.071 10 0 BEAERO COc1cc2[nH]c3c(c2cc1OC)CC[C@H]3[NH3+] ZINC000020217084 175018435 /nfs/dbraw/zinc/01/84/35/175018435.db2.gz AKIZNNYRGQIGBR-SECBINFHSA-N 1 0 232.283 2.131 10 0 BEAERO COc1cc2c(c(OC)c1)C(C)(C)C[NH2+]C2 ZINC000057513782 175019330 /nfs/dbraw/zinc/01/93/30/175019330.db2.gz AANNKSRXMNWFJF-UHFFFAOYSA-N 1 0 221.300 2.085 10 0 BEAERO COc1cc2c(c(OC)c1)C[NH2+]C(C)(C)C2 ZINC000003962816 175019506 /nfs/dbraw/zinc/01/95/06/175019506.db2.gz LHJAWXZVURTZDJ-UHFFFAOYSA-N 1 0 221.300 2.128 10 0 BEAERO COc1ccc(-c2c[nH]c([C@H](C)[NH3+])n2)cc1 ZINC000036872235 175029768 /nfs/dbraw/zinc/02/97/68/175029768.db2.gz GGLVKEPXVANSAQ-QMMMGPOBSA-N 1 0 217.272 2.105 10 0 BEAERO COc1ccc(-c2cc[n+]3ccccc3n2)cc1 ZINC000002556054 175032370 /nfs/dbraw/zinc/03/23/70/175032370.db2.gz FFAULRDRKRBRJQ-UHFFFAOYSA-N 1 0 237.282 2.496 10 0 BEAERO COc1ccc(-c2ccc(C[NH3+])o2)cc1 ZINC000020267779 175033339 /nfs/dbraw/zinc/03/33/39/175033339.db2.gz QIDAZWHQYDKIHI-UHFFFAOYSA-N 1 0 203.241 2.414 10 0 BEAERO COc1ccc(-c2nc([C@@H](C)[NH3+])c[nH]2)cc1 ZINC000082517059 175039672 /nfs/dbraw/zinc/03/96/72/175039672.db2.gz XKJIIHIJVXCSLK-MRVPVSSYSA-N 1 0 217.272 2.105 10 0 BEAERO COc1ccc(-c2noc3c2C[C@@H]([NH3+])CC3)cc1 ZINC000072232911 175042864 /nfs/dbraw/zinc/04/28/64/175042864.db2.gz CGFAIBZEGCIYNZ-JTQLQIEISA-N 1 0 244.294 2.166 10 0 BEAERO COc1ccc(C(=O)C2([NH3+])CCCC2)cc1OC ZINC000011630611 175053217 /nfs/dbraw/zinc/05/32/17/175053217.db2.gz VNAJPBKVKRWBDB-UHFFFAOYSA-N 1 0 249.310 2.158 10 0 BEAERO COc1ccc(C(=O)CC[NH2+]C2CC2)cc1OC ZINC000049836936 175053927 /nfs/dbraw/zinc/05/39/27/175053927.db2.gz YBIWHCCPNASTAS-UHFFFAOYSA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(C(=O)[C@H]2CCC[NH2+]C2)cc1C ZINC000011630746 175066021 /nfs/dbraw/zinc/06/60/21/175066021.db2.gz XRPJVDUDGRGBIL-LBPRGKRZSA-N 1 0 233.311 2.186 10 0 BEAERO COc1ccc(C(=O)[C@H]([NH3+])C(C)C)cc1F ZINC000036161635 175066467 /nfs/dbraw/zinc/06/64/67/175066467.db2.gz MCYZVRKKNOOUIF-LLVKDONJSA-N 1 0 225.263 2.000 10 0 BEAERO COc1ccc(C(C)(C)C)cc1C[NH2+]CCO ZINC000057529029 175067141 /nfs/dbraw/zinc/06/71/41/175067141.db2.gz QZQHSVDIRKZCIN-UHFFFAOYSA-N 1 0 237.343 2.075 10 0 BEAERO COc1ccc(C)cc1CC1(O)CC[NH+](C)CC1 ZINC000050705991 175073622 /nfs/dbraw/zinc/07/36/22/175073622.db2.gz IQUKDTWERKSCOJ-UHFFFAOYSA-N 1 0 249.354 2.003 10 0 BEAERO COc1ccc(C)cc1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000011630747 175073991 /nfs/dbraw/zinc/07/39/91/175073991.db2.gz QZXLKYUZQFBSBR-LLVKDONJSA-N 1 0 233.311 2.186 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335362752 175075265 /nfs/dbraw/zinc/07/52/65/175075265.db2.gz ZIPCFEMVAXTCPV-GXTWGEPZSA-N 1 0 249.354 2.349 10 0 BEAERO COc1ccc(C)cc1COC[C@H]1CC[NH2+]C1 ZINC000051888507 175076009 /nfs/dbraw/zinc/07/60/09/175076009.db2.gz XUHPFWZUIBQPLL-LBPRGKRZSA-N 1 0 235.327 2.130 10 0 BEAERO COc1ccc(C)cc1N(CC[NH3+])CC(C)C ZINC000076619663 175077135 /nfs/dbraw/zinc/07/71/35/175077135.db2.gz FIJJGWAICYUMME-UHFFFAOYSA-N 1 0 236.359 2.425 10 0 BEAERO COc1ccc(C)cc1NC[C@@H]1CCC[NH2+]1 ZINC000041234284 175078724 /nfs/dbraw/zinc/07/87/24/175078724.db2.gz IKMNSCQUPAXOSA-NSHDSACASA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]C(C)C ZINC000037871952 175079890 /nfs/dbraw/zinc/07/98/90/175079890.db2.gz XAIWQBURELTNHB-LBPRGKRZSA-N 1 0 223.316 2.035 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000048626163 175080002 /nfs/dbraw/zinc/08/00/02/175080002.db2.gz DDHUONPLQRRDML-MFKMUULPSA-N 1 0 221.300 2.040 10 0 BEAERO COc1ccc(C)cc1[C@@H](OCC[NH3+])C1CC1 ZINC000071545721 175080562 /nfs/dbraw/zinc/08/05/62/175080562.db2.gz XYBNZWFRBIXXJJ-AWEZNQCLSA-N 1 0 235.327 2.430 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])Cn1ccnc1C ZINC000023070236 175081773 /nfs/dbraw/zinc/08/17/73/175081773.db2.gz OFZKVVNJRALBNL-CYBMUJFWSA-N 1 0 245.326 2.209 10 0 BEAERO COc1ccc(C)cc1[C@H](O)C[NH2+]C(C)(C)C ZINC000037882940 175082259 /nfs/dbraw/zinc/08/22/59/175082259.db2.gz NEDXOGNTLPUGHA-GFCCVEGCSA-N 1 0 237.343 2.425 10 0 BEAERO COc1ccc(C)cc1[C@H]1C[NH2+]C[C@H](C2CC2)O1 ZINC000071308783 175082305 /nfs/dbraw/zinc/08/23/05/175082305.db2.gz JSLYVZGIWCYUOP-HUUCEWRRSA-N 1 0 247.338 2.443 10 0 BEAERO COc1ccc(C)cc1[C@H]1CSCC[NH2+]1 ZINC000041243335 175082379 /nfs/dbraw/zinc/08/23/79/175082379.db2.gz UCTQUVCVQOGZHB-LLVKDONJSA-N 1 0 223.341 2.381 10 0 BEAERO COc1ccc(C2(C)CC[NH2+]CC2)cc1 ZINC000057493406 175083212 /nfs/dbraw/zinc/08/32/12/175083212.db2.gz HBPJCPSHIPWRTI-UHFFFAOYSA-N 1 0 205.301 2.336 10 0 BEAERO COc1ccc(CC(C)(C)C[NH3+])cc1OC ZINC000049804196 175087681 /nfs/dbraw/zinc/08/76/81/175087681.db2.gz ILQGJVWNGIKMLT-UHFFFAOYSA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(CC2(C[NH3+])CC2)cc1F ZINC000071511552 175088163 /nfs/dbraw/zinc/08/81/63/175088163.db2.gz ISWQNBOVCINWOG-UHFFFAOYSA-N 1 0 209.264 2.116 10 0 BEAERO COc1ccc(CCCCC[NH3+])cc1OC ZINC000032191278 175089402 /nfs/dbraw/zinc/08/94/02/175089402.db2.gz LZOXJWVQQPHNDN-UHFFFAOYSA-N 1 0 223.316 2.375 10 0 BEAERO COc1ccc(CCCC[NH+](C)C)cc1N ZINC000049818984 175089410 /nfs/dbraw/zinc/08/94/10/175089410.db2.gz LBGGWUFFCGLLAR-UHFFFAOYSA-N 1 0 222.332 2.162 10 0 BEAERO COc1ccc(CCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000037927473 175089553 /nfs/dbraw/zinc/08/95/53/175089553.db2.gz NTSPHJDYEVHOPV-OAHLLOKOSA-N 1 0 249.354 2.396 10 0 BEAERO COc1ccc(CCCCC[NH3+])c(OC)c1 ZINC000036161324 175089739 /nfs/dbraw/zinc/08/97/39/175089739.db2.gz GBKKGBBMIRADDZ-UHFFFAOYSA-N 1 0 223.316 2.375 10 0 BEAERO COc1ccc(CCNc2cc[nH+]cc2N)cc1 ZINC000003631042 175092905 /nfs/dbraw/zinc/09/29/05/175092905.db2.gz LQTGTCZEUMJBHD-UHFFFAOYSA-N 1 0 243.310 2.327 10 0 BEAERO COc1ccc(C[NH2+]Cc2[nH]cnc2C)cc1 ZINC000054793649 175107896 /nfs/dbraw/zinc/10/78/96/175107896.db2.gz UJMWERQIZIGPOF-UHFFFAOYSA-N 1 0 231.299 2.017 10 0 BEAERO COc1ccc(COCCCCC(N)=[NH2+])cc1 ZINC000049579940 175113299 /nfs/dbraw/zinc/11/32/99/175113299.db2.gz NKKHXVYANUTOBF-UHFFFAOYSA-N 1 0 236.315 2.318 10 0 BEAERO COc1ccc(Cl)cc1[C@@H](O)C[NH2+]C1CC1 ZINC000049830783 175121740 /nfs/dbraw/zinc/12/17/40/175121740.db2.gz OEHQWTMFCOTWJF-NSHDSACASA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc(Cl)cc1N[C@@H]1CC[N@H+](C)C1 ZINC000061984610 175122288 /nfs/dbraw/zinc/12/22/88/175122288.db2.gz ZAZRNPVLASSCAM-SNVBAGLBSA-N 1 0 240.734 2.465 10 0 BEAERO COc1ccc(Cl)cc1[C@H](O)CC[NH+](C)C ZINC000041146682 175123130 /nfs/dbraw/zinc/12/31/30/175123130.db2.gz RZZRHTXVFAWQIA-LLVKDONJSA-N 1 0 243.734 2.334 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000062230755 175131873 /nfs/dbraw/zinc/13/18/73/175131873.db2.gz KROJTLYVVPAFCR-ZANVPECISA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])c1cccnc1 ZINC000034957093 175133989 /nfs/dbraw/zinc/13/39/89/175133989.db2.gz KPTTVYXBZHLADU-CYBMUJFWSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccc(F)cc1[C@H]1CC[C@@H](C[NH3+])O1 ZINC000040393077 175134282 /nfs/dbraw/zinc/13/42/82/175134282.db2.gz AZMKBJHIXZCVNL-JOYOIKCWSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc(F)cc1[C@H](CCC[NH3+])OC ZINC000049820808 175134550 /nfs/dbraw/zinc/13/45/50/175134550.db2.gz QWECUNAVENALNM-NSHDSACASA-N 1 0 227.279 2.261 10 0 BEAERO COc1ccc(NC(=O)CC[C@@H](C)C[NH3+])cc1 ZINC000076619215 175141874 /nfs/dbraw/zinc/14/18/74/175141874.db2.gz OTRRLVLGIOSTGQ-SNVBAGLBSA-N 1 0 236.315 2.009 10 0 BEAERO COc1ccc(NC(=O)[C@@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000051790692 175145840 /nfs/dbraw/zinc/14/58/40/175145840.db2.gz OROPGGHMJOUIMP-GXFFZTMASA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccc(NC(=O)[C@@](C)([NH3+])C2CC2)cc1C ZINC000049532032 175146523 /nfs/dbraw/zinc/14/65/23/175146523.db2.gz GMIVYXQJOWWEDR-AWEZNQCLSA-N 1 0 248.326 2.070 10 0 BEAERO COc1ccc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000019505811 175146637 /nfs/dbraw/zinc/14/66/37/175146637.db2.gz ODXQOPHQNYPDDB-ZWNOBZJWSA-N 1 0 248.326 2.164 10 0 BEAERO COc1ccc(NCCC[NH+](C)C)c(OC)c1 ZINC000041280526 175151047 /nfs/dbraw/zinc/15/10/47/175151047.db2.gz JGIYSSAQMLHWSA-UHFFFAOYSA-N 1 0 238.331 2.067 10 0 BEAERO COc1ccc(N[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000061984502 175154195 /nfs/dbraw/zinc/15/41/95/175154195.db2.gz JISPCNMADPARFC-SNVBAGLBSA-N 1 0 240.734 2.465 10 0 BEAERO COc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000061982661 175155313 /nfs/dbraw/zinc/15/53/13/175155313.db2.gz UYPSJUZMGDMVNA-NSHDSACASA-N 1 0 248.326 2.049 10 0 BEAERO COc1ccc(Nc2cc[nH+]cc2N)cc1 ZINC000020584591 175156762 /nfs/dbraw/zinc/15/67/62/175156762.db2.gz YPSPZODVPIEJQB-UHFFFAOYSA-N 1 0 215.256 2.416 10 0 BEAERO COc1ccc(OC)c(C[C@@H](C[NH3+])C2CC2)c1 ZINC000041266202 175166104 /nfs/dbraw/zinc/16/61/04/175166104.db2.gz MIZMSYJLCHTWSA-LBPRGKRZSA-N 1 0 235.327 2.231 10 0 BEAERO COc1ccc(OC)c([C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000079902849 175167210 /nfs/dbraw/zinc/16/72/10/175167210.db2.gz UAMNTFVOOIFRPQ-WDEREUQCSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc(OC)c([C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000057513875 175168243 /nfs/dbraw/zinc/16/82/43/175168243.db2.gz LPCXIFKTIGHMOU-NXEZZACHSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(OC)c([C@@H]2[NH2+]CC[C@H]2C)c1 ZINC000003733907 175168434 /nfs/dbraw/zinc/16/84/34/175168434.db2.gz XGLJFGWSMCJVIW-NOZJJQNGSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(OC)c2c1C[NH2+]CC2(C)C ZINC000057513786 175170747 /nfs/dbraw/zinc/17/07/47/175170747.db2.gz HUJYOBMLVFWGHU-UHFFFAOYSA-N 1 0 221.300 2.085 10 0 BEAERO COc1ccc([C@@H](CCC[NH3+])OC)cc1 ZINC000049814575 175178105 /nfs/dbraw/zinc/17/81/05/175178105.db2.gz PVDUSGPXLIKEEM-GFCCVEGCSA-N 1 0 209.289 2.122 10 0 BEAERO COc1ccc([C@@H](C[NH3+])N(C)CC2CC2)cc1 ZINC000020225880 175178291 /nfs/dbraw/zinc/17/82/91/175178291.db2.gz HRWPBDVPZLGKKS-CQSZACIVSA-N 1 0 234.343 2.037 10 0 BEAERO COc1ccc([C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000082719059 175178338 /nfs/dbraw/zinc/17/83/38/175178338.db2.gz XOMKGWAFDKTGJS-SECBINFHSA-N 1 0 219.206 2.300 10 0 BEAERO COc1ccc([C@@H](O)C[N@H+](C)CC2CC2)cc1 ZINC000042248112 175180587 /nfs/dbraw/zinc/18/05/87/175180587.db2.gz UYMVSOQRAZWTNE-AWEZNQCLSA-N 1 0 235.327 2.070 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+][C@H]2C)cc1F ZINC000077303090 175183344 /nfs/dbraw/zinc/18/33/44/175183344.db2.gz HQBDEDMVVPGGDX-WCBMZHEXSA-N 1 0 209.264 2.300 10 0 BEAERO COc1ccc([C@@H]2CSCC[NH2+]2)cc1OC ZINC000041282376 175184904 /nfs/dbraw/zinc/18/49/04/175184904.db2.gz DZIOLAATOQBOKU-JTQLQIEISA-N 1 0 239.340 2.081 10 0 BEAERO COc1ccc([C@@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)cc1 ZINC000072415342 175185449 /nfs/dbraw/zinc/18/54/49/175185449.db2.gz HJLYZPQCRBLZAL-GWCFXTLKSA-N 1 0 243.310 2.148 10 0 BEAERO COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)c(OC)c1 ZINC000003704333 175185623 /nfs/dbraw/zinc/18/56/23/175185623.db2.gz GPCUARDWADMSDK-CABZTGNLSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@H](C)[NH2+]C2CC2)cc1NC(C)=O ZINC000132756582 175188815 /nfs/dbraw/zinc/18/88/15/175188815.db2.gz VTKCANFFXNVOFB-VIFPVBQESA-N 1 0 248.326 2.467 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H](C)n2ccnc2)cc1 ZINC000023069216 175192387 /nfs/dbraw/zinc/19/23/87/175192387.db2.gz MNSMZEBWLTZVCR-ZWNOBZJWSA-N 1 0 231.299 2.153 10 0 BEAERO COc1ccc([C@H]([NH3+])c2cccn2C)cc1 ZINC000011848698 175192820 /nfs/dbraw/zinc/19/28/20/175192820.db2.gz ZGTCQHNIYNWHCC-ZDUSSCGKSA-N 1 0 216.284 2.082 10 0 BEAERO COc1ccc([C@H](O)C2CC[NH2+]CC2)cc1C ZINC000011630792 175193099 /nfs/dbraw/zinc/19/30/99/175193099.db2.gz JIABXQGSSUFVJS-CQSZACIVSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc([C@H]([C@@H](C)[NH3+])n2ccnc2C)cc1 ZINC000042962253 175193946 /nfs/dbraw/zinc/19/39/46/175193946.db2.gz WFAXUOJDAOAUIG-YGRLFVJLSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccc([C@H](SC)[C@H](C)[NH3+])cc1 ZINC000042965177 175193971 /nfs/dbraw/zinc/19/39/71/175193971.db2.gz OVYVVKMVSLAQCH-GZMMTYOYSA-N 1 0 211.330 2.447 10 0 BEAERO COc1ccc([C@H]2CC[NH2+][C@@H]2C)cc1C ZINC000051953801 175195525 /nfs/dbraw/zinc/19/55/25/175195525.db2.gz QHUPWZXGAOLFJA-PWSUYJOCSA-N 1 0 205.301 2.469 10 0 BEAERO COc1ccc([C@H]2C[NH2+]C(C)(C)O2)cc1 ZINC000071510316 175195792 /nfs/dbraw/zinc/19/57/92/175195792.db2.gz GHGZFIJMNQNPKH-LLVKDONJSA-N 1 0 207.273 2.092 10 0 BEAERO COc1ccc([C@H]2C[NH2+][C@@H](C)C2)c(OC)c1 ZINC000070586521 175196391 /nfs/dbraw/zinc/19/63/91/175196391.db2.gz REVMKZOMMGPMQL-VHSXEESVSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C)O2)cc1C ZINC000071523076 175196757 /nfs/dbraw/zinc/19/67/57/175196757.db2.gz CMJLOXIOSXREED-ZWNOBZJWSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc2c(c1)CCc1sc(C[NH3+])nc1-2 ZINC000019817719 175210241 /nfs/dbraw/zinc/21/02/41/175210241.db2.gz NVWNLWKKIXKOEN-UHFFFAOYSA-N 1 0 246.335 2.376 10 0 BEAERO COc1ccc2c(c1)nc([C@@H](C)C[NH3+])n2C1CC1 ZINC000076015285 175220176 /nfs/dbraw/zinc/22/01/76/175220176.db2.gz SRIXFTUZODTQFM-VIFPVBQESA-N 1 0 245.326 2.442 10 0 BEAERO COc1ccc2c(c1OC)[C@H](C)[N@@H+](C)CC2 ZINC000014723340 175223030 /nfs/dbraw/zinc/22/30/30/175223030.db2.gz PTJFNGNDALZPKH-VIFPVBQESA-N 1 0 221.300 2.253 10 0 BEAERO COc1ccc2c(c1)[nH]c1c2CC[NH+]=C1 ZINC000000011835 175224154 /nfs/dbraw/zinc/22/41/54/175224154.db2.gz VTEZDUSEJVSZGQ-UHFFFAOYSA-N 1 0 200.241 2.152 10 0 in-vivo BEAERO COc1ccc2nc([C@@H](C)[NH3+])sc2c1 ZINC000045236536 175229071 /nfs/dbraw/zinc/22/90/71/175229071.db2.gz GVLKGGOYAOTINC-ZCFIWIBFSA-N 1 0 208.286 2.325 10 0 BEAERO COc1ccc2scc(CC[NH3+])c2c1 ZINC000002009674 175232236 /nfs/dbraw/zinc/23/22/36/175232236.db2.gz DRXBVGGVFBPVDT-UHFFFAOYSA-N 1 0 207.298 2.411 10 0 BEAERO COc1cccc(-c2cnc(C[NH3+])s2)c1 ZINC000045206054 175235215 /nfs/dbraw/zinc/23/52/15/175235215.db2.gz OWIVEGSYXAJNIU-UHFFFAOYSA-N 1 0 220.297 2.277 10 0 BEAERO COc1cccc(-n2ncc([C@@H](C)[NH3+])c2C)c1 ZINC000082661376 175239408 /nfs/dbraw/zinc/23/94/08/175239408.db2.gz VLFANUNFXXCVHJ-SECBINFHSA-N 1 0 231.299 2.209 10 0 BEAERO COc1cccc(-n2ncc([C@H](C)[NH3+])c2C)c1 ZINC000082661377 175239552 /nfs/dbraw/zinc/23/95/52/175239552.db2.gz VLFANUNFXXCVHJ-VIFPVBQESA-N 1 0 231.299 2.209 10 0 BEAERO COc1cccc(CC[C@@H]2CCC[NH2+]2)c1 ZINC000041213835 175254071 /nfs/dbraw/zinc/25/40/71/175254071.db2.gz JFIISBPEFKMTNP-LBPRGKRZSA-N 1 0 205.301 2.380 10 0 BEAERO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000219016007 175268105 /nfs/dbraw/zinc/26/81/05/175268105.db2.gz RIWCWGSLACBCQL-HIFRSBDPSA-N 1 0 249.354 2.336 10 0 BEAERO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000219016144 175268349 /nfs/dbraw/zinc/26/83/49/175268349.db2.gz RIWCWGSLACBCQL-ZFWWWQNUSA-N 1 0 249.354 2.336 10 0 BEAERO COc1cccc(COc2ncccc2C[NH3+])c1 ZINC000019484316 175270143 /nfs/dbraw/zinc/27/01/43/175270143.db2.gz TZYSLZJQBNVIEA-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1cccc(CO[C@H]2CCC[C@H]2[NH3+])c1 ZINC000050503130 175270163 /nfs/dbraw/zinc/27/01/63/175270163.db2.gz FBJPCZPVVKYJBR-OLZOCXBDSA-N 1 0 221.300 2.092 10 0 BEAERO COc1cccc(C[C@H]([NH3+])C2CCC2)c1 ZINC000038129461 175271536 /nfs/dbraw/zinc/27/15/36/175271536.db2.gz DAIPDBQFRGEVEX-ZDUSSCGKSA-N 1 0 205.301 2.365 10 0 BEAERO COc1cccc(N(C)Cc2cc(C[NH3+])co2)c1 ZINC000052516752 175275164 /nfs/dbraw/zinc/27/51/64/175275164.db2.gz XEMQSKUGXKOAPV-UHFFFAOYSA-N 1 0 246.310 2.383 10 0 BEAERO COc1cccc(N(C)c2cccc(C[NH3+])c2)n1 ZINC000104120737 175275461 /nfs/dbraw/zinc/27/54/61/175275461.db2.gz QDYQXSBBGCHYHI-UHFFFAOYSA-N 1 0 243.310 2.317 10 0 BEAERO COc1cccc(NC(=O)C[NH2+]C2CCCC2)c1 ZINC000020037058 175276226 /nfs/dbraw/zinc/27/62/26/175276226.db2.gz QMHQCZKKJBQSOF-UHFFFAOYSA-N 1 0 248.326 2.166 10 0 BEAERO COc1cccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000019428974 175277268 /nfs/dbraw/zinc/27/72/68/175277268.db2.gz GBECEXPNPZBRNT-WDEREUQCSA-N 1 0 248.326 2.022 10 0 BEAERO COc1cccc(N[C@@H](C[NH3+])c2cccnc2)c1 ZINC000057534193 175280346 /nfs/dbraw/zinc/28/03/46/175280346.db2.gz XAYASXNPOCRCBS-AWEZNQCLSA-N 1 0 243.310 2.202 10 0 BEAERO COc1cccc(OC)c1OCC[NH2+]C(C)C ZINC000020525026 175282489 /nfs/dbraw/zinc/28/24/89/175282489.db2.gz RKGQUWVKYIVGET-UHFFFAOYSA-N 1 0 239.315 2.081 10 0 BEAERO COc1cccc(OCC[NH2+]CC2CC2)c1 ZINC000041237735 175283498 /nfs/dbraw/zinc/28/34/98/175283498.db2.gz UEUZBIPQRJKJQH-UHFFFAOYSA-N 1 0 221.300 2.074 10 0 BEAERO COc1cccc(OCC[NH2+]CC(C)C)c1 ZINC000041242931 175283596 /nfs/dbraw/zinc/28/35/96/175283596.db2.gz XIGRTBYJMGLWFS-UHFFFAOYSA-N 1 0 223.316 2.320 10 0 BEAERO COc1cccc(Oc2cc(C[NH3+])ccn2)c1 ZINC000022161810 175284849 /nfs/dbraw/zinc/28/48/49/175284849.db2.gz JKMKXBSXMGSLKX-UHFFFAOYSA-N 1 0 230.267 2.341 10 0 BEAERO COc1cccc(Oc2cc(C(N)=[NH2+])ccn2)c1 ZINC000019433091 175285101 /nfs/dbraw/zinc/28/51/01/175285101.db2.gz OBOCVJJQFBFDET-UHFFFAOYSA-N 1 0 243.266 2.167 10 0 BEAERO COc1cccc([C@@H](C)N2CCC[C@H]([NH3+])C2)c1 ZINC000041027844 175287104 /nfs/dbraw/zinc/28/71/04/175287104.db2.gz VNEZORRJPBYODI-YPMHNXCESA-N 1 0 234.343 2.179 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2cccc(C)n2)c1 ZINC000104160046 175288595 /nfs/dbraw/zinc/28/85/95/175288595.db2.gz JSSOEHHQHYHNAJ-CQSZACIVSA-N 1 0 228.295 2.447 10 0 BEAERO COc1cccc([C@@H]([NH3+])Cn2nc(C)cc2C)c1 ZINC000011849912 175288707 /nfs/dbraw/zinc/28/87/07/175288707.db2.gz VTUMWVJWVLEIPQ-AWEZNQCLSA-N 1 0 245.326 2.209 10 0 BEAERO COc1cccc([C@@H]([NH3+])C[C@H]2CCCO2)c1 ZINC000037466672 175289188 /nfs/dbraw/zinc/28/91/88/175289188.db2.gz WDACPBGQPGPWFQ-OLZOCXBDSA-N 1 0 221.300 2.264 10 0 BEAERO COc1cccc([C@@H](N)C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000036785177 175289233 /nfs/dbraw/zinc/28/92/33/175289233.db2.gz ZGYMJPDWWRJSLK-ABAIWWIYSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])n2ccnc2C)c1 ZINC000043028778 175289805 /nfs/dbraw/zinc/28/98/05/175289805.db2.gz ATYJWLYQLZZOIN-QMTHXVAHSA-N 1 0 245.326 2.137 10 0 BEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N2CC[C@@H](C)C2)c1 ZINC000043027396 175290114 /nfs/dbraw/zinc/29/01/14/175290114.db2.gz NFVRVAWIOPKEAX-LALPHHSUSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@@H]2CC[NH2+][C@H]2C)c1OC ZINC000051954127 175290582 /nfs/dbraw/zinc/29/05/82/175290582.db2.gz NHHTWTCGUHARLN-VHSXEESVSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cccc([C@H](O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000054682507 175294700 /nfs/dbraw/zinc/29/47/00/175294700.db2.gz SBACAJZJLBCZAU-GJZGRUSLSA-N 1 0 243.306 2.429 10 0 BEAERO COc1cccc([C@H]([NH3+])c2ccncc2)c1 ZINC000037466446 175295267 /nfs/dbraw/zinc/29/52/67/175295267.db2.gz DAKBYZAXNNKLCC-CYBMUJFWSA-N 1 0 214.268 2.138 10 0 BEAERO COc1cccc([C@H](O)[C@H]([NH3+])c2ccccc2)c1 ZINC000054682500 175295332 /nfs/dbraw/zinc/29/53/32/175295332.db2.gz SBACAJZJLBCZAU-CABCVRRESA-N 1 0 243.306 2.429 10 0 BEAERO COc1cccc([C@H]([C@@H](C)[NH3+])N(C)C(C)C)c1 ZINC000043025667 175295538 /nfs/dbraw/zinc/29/55/38/175295538.db2.gz UWJAISODSCWBJR-RISCZKNCSA-N 1 0 236.359 2.424 10 0 BEAERO COc1cccc([C@H](OCC[NH3+])C2CC2)c1 ZINC000071523128 175295997 /nfs/dbraw/zinc/29/59/97/175295997.db2.gz YFJJJUVBNLFGTM-CYBMUJFWSA-N 1 0 221.300 2.122 10 0 BEAERO COc1cccc([C@H]2[NH2+]CCn3cccc32)c1 ZINC000031889917 175296815 /nfs/dbraw/zinc/29/68/15/175296815.db2.gz APJFDVHUDNKPHD-CQSZACIVSA-N 1 0 228.295 2.189 10 0 BEAERO COc1cccc2[nH]cc(C[C@H](C)[NH3+])c21 ZINC000020269444 175297666 /nfs/dbraw/zinc/29/76/66/175297666.db2.gz FNJAOTNWFNXQLI-QMMMGPOBSA-N 1 0 204.273 2.066 10 0 BEAERO COc1cccc2c1C=C(C[C@@H]1C[NH+]=CN1)CC2 ZINC000013862058 175301329 /nfs/dbraw/zinc/30/13/29/175301329.db2.gz OMVHNYLXKNAIID-CYBMUJFWSA-N 1 0 242.322 2.415 10 0 BEAERO COc1cccc2c1C[C@H]1CCC[NH2+][C@@H]1C2 ZINC000027416691 175303306 /nfs/dbraw/zinc/30/33/06/175303306.db2.gz XGPVZNWBBGCYKA-DGCLKSJQSA-N 1 0 217.312 2.162 10 0 BEAERO COc1cccc2c1SCC[C@H]2C[NH3+] ZINC000082374865 175305357 /nfs/dbraw/zinc/30/53/57/175305357.db2.gz GLDJYHWIWIDDRP-QMMMGPOBSA-N 1 0 209.314 2.233 10 0 BEAERO COc1ccccc1-c1cnc(C[NH3+])s1 ZINC000045206053 175309961 /nfs/dbraw/zinc/30/99/61/175309961.db2.gz CNWZGKMETVADKG-UHFFFAOYSA-N 1 0 220.297 2.277 10 0 BEAERO COc1ccccc1C(=O)C1([NH3+])CCCC1 ZINC000071521234 175316985 /nfs/dbraw/zinc/31/69/85/175316985.db2.gz KARKSLMBDLDXOF-UHFFFAOYSA-N 1 0 219.284 2.149 10 0 BEAERO COc1ccccc1C1(C)CC[NH2+]CC1 ZINC000057493410 175320221 /nfs/dbraw/zinc/32/02/21/175320221.db2.gz DLFZOTSUMLMWEW-UHFFFAOYSA-N 1 0 205.301 2.336 10 0 BEAERO COc1ccccc1CNc1[nH+]ccn1C ZINC000050605623 175331092 /nfs/dbraw/zinc/33/10/92/175331092.db2.gz UHBXXJRRDSNUND-UHFFFAOYSA-N 1 0 217.272 2.041 10 0 BEAERO COc1ccccc1COC[C@H]1CCCC[NH2+]1 ZINC000051816129 175331834 /nfs/dbraw/zinc/33/18/34/175331834.db2.gz ZOXMCENCXWRBLX-CYBMUJFWSA-N 1 0 235.327 2.354 10 0 BEAERO COc1ccccc1C[C@@H]1C[NH2+][C@H](C)C1 ZINC000082930996 175333122 /nfs/dbraw/zinc/33/31/22/175333122.db2.gz CFZUYQMPCUZSOX-GHMZBOCLSA-N 1 0 205.301 2.236 10 0 BEAERO COc1ccccc1C[C@H]([NH3+])Cc1ccco1 ZINC000011599705 175334237 /nfs/dbraw/zinc/33/42/37/175334237.db2.gz NHYGIUQDCDJBMH-LBPRGKRZSA-N 1 0 231.295 2.401 10 0 BEAERO COc1ccccc1N(C)[C@H]1CCC[C@@H]1[NH3+] ZINC000049966572 175335567 /nfs/dbraw/zinc/33/55/67/175335567.db2.gz JCSSMTASEKDVJH-QWRGUYRKSA-N 1 0 220.316 2.011 10 0 BEAERO COc1ccccc1NCCC[NH+](C)C ZINC000041217973 175338039 /nfs/dbraw/zinc/33/80/39/175338039.db2.gz WAXCQVVZYLYQQB-UHFFFAOYSA-N 1 0 208.305 2.059 10 0 BEAERO COc1ccccc1OCCC[NH+](C)C ZINC000027979887 175340443 /nfs/dbraw/zinc/34/04/43/175340443.db2.gz LPXILBCDKVWPAN-UHFFFAOYSA-N 1 0 209.289 2.026 10 0 BEAERO COc1ccccc1OCc1ccoc1C[NH3+] ZINC000052675199 175341570 /nfs/dbraw/zinc/34/15/70/175341570.db2.gz PABAOLQGZMCKFL-UHFFFAOYSA-N 1 0 233.267 2.326 10 0 BEAERO COc1ccccc1OC[C@H](C[NH3+])c1cc[nH]c1 ZINC000076631364 175341955 /nfs/dbraw/zinc/34/19/55/175341955.db2.gz UQSCBCNXKAFTNS-LBPRGKRZSA-N 1 0 246.310 2.145 10 0 BEAERO COc1ccccc1O[C@H]1CCCC[NH2+]1 ZINC000095929908 175342241 /nfs/dbraw/zinc/34/22/41/175342241.db2.gz HDVBILJGOVKRDH-LBPRGKRZSA-N 1 0 207.273 2.174 10 0 BEAERO COc1ccccc1Oc1cc(C[NH3+])ccn1 ZINC000022172646 175342511 /nfs/dbraw/zinc/34/25/11/175342511.db2.gz ZPJDLYLELMNTTI-UHFFFAOYSA-N 1 0 230.267 2.341 10 0 BEAERO COc1ccccc1[C@@H](C[NH3+])n1nc(C)cc1C ZINC000043098703 175346095 /nfs/dbraw/zinc/34/60/95/175346095.db2.gz XUMWIIUYYWHGGH-CYBMUJFWSA-N 1 0 245.326 2.057 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])C[C@H]1CCCO1 ZINC000037466774 175347604 /nfs/dbraw/zinc/34/76/04/175347604.db2.gz DYTYLICZXXAQEH-PWSUYJOCSA-N 1 0 221.300 2.264 10 0 BEAERO COc1ccccc1[C@@H]1C[N@@H+](C(C)C)CCN1 ZINC000077369936 175348739 /nfs/dbraw/zinc/34/87/39/175348739.db2.gz MWHYQNQYIQIIRZ-ZDUSSCGKSA-N 1 0 234.343 2.050 10 0 BEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CC[C@@H](C)C1 ZINC000043097836 175348889 /nfs/dbraw/zinc/34/88/89/175348889.db2.gz NVGVQRHISSGAPP-LALPHHSUSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)C(C)C ZINC000022223698 175353841 /nfs/dbraw/zinc/35/38/41/175353841.db2.gz RTDCMYLVHJPCBK-LBPRGKRZSA-N 1 0 222.332 2.035 10 0 BEAERO COc1ccccc1[C@H](SC)[C@H](C)[NH3+] ZINC000043101888 175354067 /nfs/dbraw/zinc/35/40/67/175354067.db2.gz UCYIQDGPGJZZLO-GZMMTYOYSA-N 1 0 211.330 2.447 10 0 BEAERO COc1ccccc1[C@H](O)C[NH2+]CCC(C)C ZINC000049828898 175354328 /nfs/dbraw/zinc/35/43/28/175354328.db2.gz YSKUPCSTPFIEMS-CYBMUJFWSA-N 1 0 237.343 2.364 10 0 BEAERO COc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C1CC1 ZINC000043097113 175354373 /nfs/dbraw/zinc/35/43/73/175354373.db2.gz ZNJWOMXYNQDUJL-HZMBPMFUSA-N 1 0 234.343 2.178 10 0 BEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCCC1 ZINC000043096598 175354379 /nfs/dbraw/zinc/35/43/79/175354379.db2.gz NDMSVXBADPAGEN-RISCZKNCSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccnc(C[NH2+]C2CCCC2)c1OC ZINC000058824405 175360517 /nfs/dbraw/zinc/36/05/17/175360517.db2.gz KMGJKPPIVVKOIZ-UHFFFAOYSA-N 1 0 236.315 2.131 10 0 BEAERO COc1ccsc1C[NH2+]C(C)(C)[C@H](C)O ZINC000127133151 175378125 /nfs/dbraw/zinc/37/81/25/175378125.db2.gz QLCOFFFCFUYDMG-QMMMGPOBSA-N 1 0 229.345 2.006 10 0 BEAERO CSCc1noc(-c2cccc(C[NH3+])c2)n1 ZINC000054494056 175533735 /nfs/dbraw/zinc/53/37/35/175533735.db2.gz QIRQPYNIDUDLHG-UHFFFAOYSA-N 1 0 235.312 2.058 10 0 BEAERO C[C@@H](CC(=O)NC1(C[NH3+])CCCC1)C(C)(C)C ZINC000111823555 175641479 /nfs/dbraw/zinc/64/14/79/175641479.db2.gz GWLGSQWJBRYPTN-NSHDSACASA-N 1 0 240.391 2.446 10 0 BEAERO C[C@@H](C[NH3+])CNC(=O)c1cccc2ccccc21 ZINC000054139916 175708281 /nfs/dbraw/zinc/70/82/81/175708281.db2.gz WIYDSZLVIFGFGZ-NSHDSACASA-N 1 0 242.322 2.164 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2ccccc2Cl)n1 ZINC000054158701 175713401 /nfs/dbraw/zinc/71/34/01/175713401.db2.gz FCHKKRNJVIPYHM-ZETCQYMHSA-N 1 0 237.690 2.452 10 0 BEAERO C[C@@H](C[NH2+]CCc1c[nH]cn1)c1ccccc1 ZINC000083356970 175731715 /nfs/dbraw/zinc/73/17/15/175731715.db2.gz GAYFOGGHEIKIRY-LBPRGKRZSA-N 1 0 229.327 2.346 10 0 BEAERO C[C@@H](CO)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042329483 175757960 /nfs/dbraw/zinc/75/79/60/175757960.db2.gz MDICBZABVIWIGL-KWQFWETISA-N 1 0 211.330 2.170 10 0 BEAERO C[C@@H]([NH3+])Cc1cc(OCc2ccccc2)no1 ZINC000090397976 175806531 /nfs/dbraw/zinc/80/65/31/175806531.db2.gz PQIKPYXNTXARJG-SNVBAGLBSA-N 1 0 232.283 2.143 10 0 BEAERO C[C@@H]([NH3+])Cc1nc2cc(F)ccc2n1C1CC1 ZINC000037439831 175808090 /nfs/dbraw/zinc/80/80/90/175808090.db2.gz QFAWFCZYQGEEJU-MRVPVSSYSA-N 1 0 233.290 2.400 10 0 BEAERO C[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000020216842 175809689 /nfs/dbraw/zinc/80/96/89/175809689.db2.gz CUKVVVSWCDENJJ-MLUIRONXSA-N 1 0 220.099 2.374 10 0 BEAERO C[C@@H]([NH3+])c1cccc(OC[C@H]2CCCO2)c1 ZINC000022175539 175818239 /nfs/dbraw/zinc/81/82/39/175818239.db2.gz VHVJUOLXPTYKHE-ZWNOBZJWSA-N 1 0 221.300 2.264 10 0 BEAERO C[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000011628021 175849069 /nfs/dbraw/zinc/84/90/69/175849069.db2.gz BEPVEJJTDAPZRD-SNVBAGLBSA-N 1 0 244.294 2.229 10 0 BEAERO C[C@@H](OC[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000095068537 176002905 /nfs/dbraw/zinc/00/29/05/176002905.db2.gz NWCRSJZHLGRVBF-NXEZZACHSA-N 1 0 211.330 2.435 10 0 BEAERO C[C@@H](OC[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068459 176002972 /nfs/dbraw/zinc/00/29/72/176002972.db2.gz VQHGLWLKGRGKBI-GHMZBOCLSA-N 1 0 208.305 2.234 10 0 BEAERO C[C@@H](Oc1nccnc1C[NH3+])c1ccccc1 ZINC000054378537 176006262 /nfs/dbraw/zinc/00/62/62/176006262.db2.gz JQVSNWKOENDOGE-SNVBAGLBSA-N 1 0 229.283 2.075 10 0 BEAERO C[C@@H](c1ccc(Cl)s1)N1C[C@@H]([NH3+])CC1=O ZINC000042593122 176014731 /nfs/dbraw/zinc/01/47/31/176014731.db2.gz NBTWLIRMEMQKKE-BQBZGAKWSA-N 1 0 244.747 2.022 10 0 BEAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCO[C@H](C)C1 ZINC000040908709 176015364 /nfs/dbraw/zinc/01/53/64/176015364.db2.gz QTNDERFUPVUYJB-MNOVXSKESA-N 1 0 220.316 2.051 10 0 BEAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCO[C@H](C)C1 ZINC000040908045 176018616 /nfs/dbraw/zinc/01/86/16/176018616.db2.gz WQSHQYYYYAXGRT-MNOVXSKESA-N 1 0 220.316 2.051 10 0 BEAERO C[C@@H](c1cccnc1)n1c(N)[nH+]c2ccccc21 ZINC000035692424 176030794 /nfs/dbraw/zinc/03/07/94/176030794.db2.gz TXUHLAZGIXSXCM-JTQLQIEISA-N 1 0 238.294 2.453 10 0 BEAERO C[C@@H](c1ccco1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000095068212 176031092 /nfs/dbraw/zinc/03/10/92/176031092.db2.gz VBDXWUJIMHAZMP-QWRGUYRKSA-N 1 0 208.305 2.024 10 0 BEAERO C[C@@H](c1ccco1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068202 176031741 /nfs/dbraw/zinc/03/17/41/176031741.db2.gz WGSUSMLEWQYMSA-RYUDHWBXSA-N 1 0 222.332 2.415 10 0 BEAERO C[C@@H](c1ccco1)N(C)C1CC[NH2+]CC1 ZINC000095068196 176031827 /nfs/dbraw/zinc/03/18/27/176031827.db2.gz PCTNHADVCXRGIB-JTQLQIEISA-N 1 0 208.305 2.024 10 0 BEAERO C[C@@H](c1cccs1)[NH+]1CCC(O)CC1 ZINC000074147793 176034545 /nfs/dbraw/zinc/03/45/45/176034545.db2.gz ZROUISDTAVKFQP-VIFPVBQESA-N 1 0 211.330 2.266 10 0 BEAERO C[C@@H](c1ccncc1)n1c(N)[nH+]c2ccccc21 ZINC000035693995 176035540 /nfs/dbraw/zinc/03/55/40/176035540.db2.gz USDGDVHTRBAOME-JTQLQIEISA-N 1 0 238.294 2.453 10 0 BEAERO C[C@@H](c1nccs1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068208 176039761 /nfs/dbraw/zinc/03/97/61/176039761.db2.gz DYZSHSZRQHOMEM-QWRGUYRKSA-N 1 0 239.388 2.278 10 0 BEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCc1nnc[nH]1 ZINC000120034168 176051730 /nfs/dbraw/zinc/05/17/30/176051730.db2.gz ZDOQLTHXWWACSR-MNOVXSKESA-N 1 0 236.363 2.152 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(c2cncnc2)C1 ZINC000052887626 176052157 /nfs/dbraw/zinc/05/21/57/176052157.db2.gz NUTAVAIQYWIBHI-MFKMUULPSA-N 1 0 219.332 2.477 10 0 BEAERO C[C@@H]1CC(N)=[NH+]N1c1ccc(Cl)cc1 ZINC000034592819 176053025 /nfs/dbraw/zinc/05/30/25/176053025.db2.gz OIRYAEFOEAYPHY-SSDOTTSWSA-N 1 0 209.680 2.211 10 0 BEAERO C[C@@H]1CC([NH2+][C@@H](CO)c2ccccc2)C[C@@H](C)O1 ZINC000123054365 176054911 /nfs/dbraw/zinc/05/49/11/176054911.db2.gz FWIZDGWXLAQCJN-JMSVASOKSA-N 1 0 249.354 2.266 10 0 BEAERO C[C@@H]1CC([NH2+]CCCn2ccnn2)C[C@@H](C)C1 ZINC000126439200 176055503 /nfs/dbraw/zinc/05/55/03/176055503.db2.gz DGAREVMIWDDQJF-RYUDHWBXSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccncn1 ZINC000054789831 176077685 /nfs/dbraw/zinc/07/76/85/176077685.db2.gz IGJLTZGUMUGVDG-VXGBXAGGSA-N 1 0 219.332 2.393 10 0 BEAERO C[C@@H]1CCCC[C@@H]1Oc1cc(C(N)=[NH2+])ccn1 ZINC000019507571 176082457 /nfs/dbraw/zinc/08/24/57/176082457.db2.gz HXYUUKPCTXVKLF-KOLCDFICSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@@H]1CCCC[C@@H]1OC(=O)C1([NH3+])CCCC1 ZINC000048633460 176083015 /nfs/dbraw/zinc/08/30/15/176083015.db2.gz WREUVQMIXRTCTA-MNOVXSKESA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1CCCC[C@@]1([NH3+])C(=O)OC1CCCC1 ZINC000041038378 176083810 /nfs/dbraw/zinc/08/38/10/176083810.db2.gz VULPFLCAHVPPSV-MFKMUULPSA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1CCCC[C@]1([NH3+])c1noc(C(F)(F)F)n1 ZINC000036764999 176091104 /nfs/dbraw/zinc/09/11/04/176091104.db2.gz RIATYVIFUOZEIP-HZGVNTEJSA-N 1 0 249.236 2.453 10 0 BEAERO C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000014193730 176096383 /nfs/dbraw/zinc/09/63/83/176096383.db2.gz ZPKSYGVNZDDWQZ-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H]1CCC[N@H+](CC(=O)c2ccn(C)c2)CC1 ZINC000104354832 176096991 /nfs/dbraw/zinc/09/69/91/176096991.db2.gz HLTSCKAHTWLDOB-GFCCVEGCSA-N 1 0 234.343 2.330 10 0 BEAERO C[C@@H]1CCC[N@H+](CCOc2cccc(N)c2)C1 ZINC000033465259 176098410 /nfs/dbraw/zinc/09/84/10/176098410.db2.gz MEJLQBBAARZQHH-GFCCVEGCSA-N 1 0 234.343 2.380 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2CN1 ZINC000037911162 176108316 /nfs/dbraw/zinc/10/83/16/176108316.db2.gz JJHFBOBENBMCIX-DOMZBBRYSA-N 1 0 230.355 2.185 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccccc1F ZINC000037910323 176109489 /nfs/dbraw/zinc/10/94/89/176109489.db2.gz DRDGZLNSKHLKEX-MFKMUULPSA-N 1 0 222.307 2.310 10 0 BEAERO C[C@@H]1CCC[N@@H+]1[C@H](CN)Cc1ccccc1 ZINC000037910321 176109969 /nfs/dbraw/zinc/10/99/69/176109969.db2.gz KGDLQWLOTOFWEX-OCCSQVGLSA-N 1 0 218.344 2.041 10 0 BEAERO C[C@@H]1CCC[N@@H+]1Cc1nc2cc(N)ccc2[nH]1 ZINC000037909979 176110844 /nfs/dbraw/zinc/11/08/44/176110844.db2.gz UIRAMKWDYXREAV-SECBINFHSA-N 1 0 230.315 2.129 10 0 BEAERO C[C@@H]1CCCN1c1ccc(Cl)c(C[NH3+])n1 ZINC000051396080 176111385 /nfs/dbraw/zinc/11/13/85/176111385.db2.gz ATYCMJOOWXADGY-MRVPVSSYSA-N 1 0 225.723 2.182 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N2CCCCCC2)[C@@H]1[NH3+] ZINC000055122679 176112276 /nfs/dbraw/zinc/11/22/76/176112276.db2.gz BUWICWUMBDGGPM-JHJVBQTASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)Nc1ccccc1 ZINC000051791918 176112946 /nfs/dbraw/zinc/11/29/46/176112946.db2.gz WOSWUXGBZWFEER-PWSUYJOCSA-N 1 0 218.300 2.013 10 0 BEAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC(N)=S ZINC000019518814 176115052 /nfs/dbraw/zinc/11/50/52/176115052.db2.gz NZSYGLHLRHVWSH-NXEZZACHSA-N 1 0 214.378 2.316 10 0 BEAERO C[C@@H]1CCC[C@@H](CNC(=O)CC(C)(C)C)[NH2+]1 ZINC000051572887 176118420 /nfs/dbraw/zinc/11/84/20/176118420.db2.gz VAKBVCPUXSHNFR-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCCC1(C)C ZINC000063075175 176120299 /nfs/dbraw/zinc/12/02/99/176120299.db2.gz WLDMPLUPZPIHEA-IJLUTSLNSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[C@@H]([N@@H+]2CCCN[C@H](C)C2)C1 ZINC000062570381 176120754 /nfs/dbraw/zinc/12/07/54/176120754.db2.gz DSANCQKOGOSTQV-JHJVBQTASA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@H]1CCC[C@@H](SCCN2CC[NH2+]CC2)C1 ZINC000054694845 176125172 /nfs/dbraw/zinc/12/51/72/176125172.db2.gz PEFBZMMUEDMPTG-CHWSQXEVSA-N 1 0 242.432 2.204 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CCCn2ccnn2)[C@@H]1C ZINC000126583776 176143266 /nfs/dbraw/zinc/14/32/66/176143266.db2.gz WATPWKAOBREJHG-UPJWGTAASA-N 1 0 236.363 2.083 10 0 BEAERO C[C@@H]1CCC[C@H](Oc2ncccc2C[NH3+])C1 ZINC000026514763 176146307 /nfs/dbraw/zinc/14/63/07/176146307.db2.gz HICORWTVYGLNKO-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2ccncc2)C1 ZINC000036775759 176151560 /nfs/dbraw/zinc/15/15/60/176151560.db2.gz FNNJJMGKKIYDQR-HIFRSBDPSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCC[C@](CO)(Nc2cc[nH+]cc2N)C1 ZINC000053114689 176152317 /nfs/dbraw/zinc/15/23/17/176152317.db2.gz HEIKEODPEMCKAP-MFKMUULPSA-N 1 0 235.331 2.017 10 0 BEAERO C[C@@H]1CCN(C(=O)CC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000235264323 176154648 /nfs/dbraw/zinc/15/46/48/176154648.db2.gz KGXBGILPSIXTHA-GHMZBOCLSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1CC[N@@H+](C2(CN)CCCCCC2)C1 ZINC000040717216 176166160 /nfs/dbraw/zinc/16/61/60/176166160.db2.gz KZNVVWGPOKIXAX-GFCCVEGCSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1CC[N@H+](CCC(C)(C)C)[C@@H](CN)C1 ZINC000224844960 176168198 /nfs/dbraw/zinc/16/81/98/176168198.db2.gz HBJGUANTNSNNOL-VXGBXAGGSA-N 1 0 212.381 2.482 10 0 BEAERO C[C@@H]1CCN(CCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000224847551 176170651 /nfs/dbraw/zinc/17/06/51/176170651.db2.gz UUGYKHMSNDQMLG-UKRRQHHQSA-N 1 0 232.371 2.288 10 0 BEAERO C[C@@H]1CC[N@H+](Cc2nc(N)ccc2Cl)C1 ZINC000061631513 176177015 /nfs/dbraw/zinc/17/70/15/176177015.db2.gz CZEDTKBVYSCNPO-MRVPVSSYSA-N 1 0 225.723 2.159 10 0 BEAERO C[C@@H]1CCN(c2ccc(F)cc2)CCC[NH2+]1 ZINC000049664396 176182024 /nfs/dbraw/zinc/18/20/24/176182024.db2.gz ARKWDEBNPGPZCQ-LLVKDONJSA-N 1 0 222.307 2.404 10 0 BEAERO C[C@@H]1CCNCC[N@@H+]1C1CCCCCC1 ZINC000071512334 176184107 /nfs/dbraw/zinc/18/41/07/176184107.db2.gz BHFSJZKYLQOXKZ-GFCCVEGCSA-N 1 0 210.365 2.393 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1nccc2occc21 ZINC000333074380 176186340 /nfs/dbraw/zinc/18/63/40/176186340.db2.gz DEKBSUJTVVGANV-MWLCHTKSSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@@H]1CC[NH2+][C@H]1c1ccc2c(c1)OCCO2 ZINC000082786295 176187281 /nfs/dbraw/zinc/18/72/81/176187281.db2.gz OYTQCNBPZYHZAU-NOZJJQNGSA-N 1 0 219.284 2.128 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)N(C)C2CCCCC2)C[NH2+]1 ZINC000019484067 176194907 /nfs/dbraw/zinc/19/49/07/176194907.db2.gz YLMNBEHFAMEHNG-VXGBXAGGSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)NCC2CCCCC2)C[NH2+]1 ZINC000037260052 176220712 /nfs/dbraw/zinc/22/07/12/176220712.db2.gz CTFGXKRDCJFIGR-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CN(C(=[NH2+])Nc2ccccc2)[C@H](C)CO1 ZINC000060393273 176241220 /nfs/dbraw/zinc/24/12/20/176241220.db2.gz SFEZMFNMEWSXGO-GHMZBOCLSA-N 1 0 233.315 2.142 10 0 BEAERO C[C@@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)CCN1 ZINC000083361655 176279718 /nfs/dbraw/zinc/27/97/18/176279718.db2.gz WRJFRQFQMVXGAM-SHIHICALSA-N 1 0 234.387 2.249 10 0 BEAERO C[C@@H]1C[NH+](CCCc2cccc(N)c2)C[C@@H](C)O1 ZINC000041138747 176289646 /nfs/dbraw/zinc/28/96/46/176289646.db2.gz YOQDZPGHDAUSDT-CHWSQXEVSA-N 1 0 248.370 2.311 10 0 BEAERO C[C@@H]1CN(CC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000020071804 176293674 /nfs/dbraw/zinc/29/36/74/176293674.db2.gz QWBQINSEJBQQOP-NFAWXSAZSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@@H]1CN(CCc2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000071547330 176293782 /nfs/dbraw/zinc/29/37/82/176293782.db2.gz AFEPKZORDMRVQD-VXGBXAGGSA-N 1 0 236.334 2.050 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)CCC1=O ZINC000090992916 176298839 /nfs/dbraw/zinc/29/88/39/176298839.db2.gz SNAVTYDAIZRQPY-YPMHNXCESA-N 1 0 229.323 2.237 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000082367946 176306573 /nfs/dbraw/zinc/30/65/73/176306573.db2.gz XAMFFOLTPSPMLJ-GFCCVEGCSA-N 1 0 218.344 2.259 10 0 BEAERO C[C@@H]1CN(c2cccc(Cl)c2)[NH+]=C1N ZINC000034592817 176319534 /nfs/dbraw/zinc/31/95/34/176319534.db2.gz CTVZXQUUWUDABQ-SSDOTTSWSA-N 1 0 209.680 2.068 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1CCCO[C@H](C)C1 ZINC000061919086 176320310 /nfs/dbraw/zinc/32/03/10/176320310.db2.gz FCAFNFHPYMGTKO-VXGBXAGGSA-N 1 0 234.343 2.322 10 0 BEAERO C[C@@H]1CN(c2cccc(Cl)n2)C[C@H]1[NH+](C)C ZINC000251615372 176320345 /nfs/dbraw/zinc/32/03/45/176320345.db2.gz DQPSOZWLQVUASS-NXEZZACHSA-N 1 0 239.750 2.121 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1(C)CCC1 ZINC000300385495 176322524 /nfs/dbraw/zinc/32/25/24/176322524.db2.gz NPQFQOZOICTOLJ-OLZOCXBDSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@@H]1C[NH+]=C(NCCc2ccsc2)S1 ZINC000049185312 176323950 /nfs/dbraw/zinc/32/39/50/176323950.db2.gz GFYJGMIBKCYBHG-MRVPVSSYSA-N 1 0 226.370 2.372 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1 ZINC000247111533 176324119 /nfs/dbraw/zinc/32/41/19/176324119.db2.gz ISEDLVKAXBTSJT-HIFRSBDPSA-N 1 0 230.355 2.355 10 0 BEAERO C[C@@H]1C[NH2+]CCN(c2cccc(F)c2F)C1 ZINC000049662298 176325083 /nfs/dbraw/zinc/32/50/83/176325083.db2.gz TXBQNGMENKUUJO-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[C@@H]1CNCC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000049660817 176325889 /nfs/dbraw/zinc/32/58/89/176325889.db2.gz LZAMYGBFPWPSPJ-DYCFOQDWSA-N 1 0 248.414 2.497 10 0 BEAERO C[C@@H]1CNCC[N@@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000059955278 176327102 /nfs/dbraw/zinc/32/71/02/176327102.db2.gz MKOBFWFLNNCIPV-SHIHICALSA-N 1 0 234.387 2.249 10 0 BEAERO C[C@H](CC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)(C)C ZINC000094345039 176327732 /nfs/dbraw/zinc/32/77/32/176327732.db2.gz LNGURUDCQJUIMV-UTUOFQBUSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(Cc2cccs2)no1 ZINC000104209412 176329437 /nfs/dbraw/zinc/32/94/37/176329437.db2.gz ISYXAMZWSDBLTB-SCZZXKLOSA-N 1 0 249.339 2.045 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCCCCCC1 ZINC000111263081 176330205 /nfs/dbraw/zinc/33/02/05/176330205.db2.gz RNYYSIIQEBSGFD-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000279947649 176345089 /nfs/dbraw/zinc/34/50/89/176345089.db2.gz BNVWJSUDSJUKMF-LERXQTSPSA-N 1 0 247.338 2.394 10 0 BEAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1COc2ccccc21 ZINC000287455418 176354050 /nfs/dbraw/zinc/35/40/50/176354050.db2.gz LPHCRFXGGHDMPO-JLLWLGSASA-N 1 0 235.352 2.461 10 0 BEAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1COc2ccccc21 ZINC000287455427 176354346 /nfs/dbraw/zinc/35/43/46/176354346.db2.gz LPHCRFXGGHDMPO-USWWRNFRSA-N 1 0 235.352 2.461 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)c2ccccc21 ZINC000288536564 176376445 /nfs/dbraw/zinc/37/64/45/176376445.db2.gz ADNZNMMIMZFAAL-BXUZGUMPSA-N 1 0 242.326 2.116 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc21 ZINC000310849643 176379736 /nfs/dbraw/zinc/37/97/36/176379736.db2.gz OEFGPKZURMUFLU-LERXQTSPSA-N 1 0 244.338 2.103 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCCO1 ZINC000383509760 487633713 /nfs/dbraw/zinc/63/37/13/487633713.db2.gz KYCLHGKQHXOKRV-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@H](N)Cc1ccccc1 ZINC000104408594 176391971 /nfs/dbraw/zinc/39/19/71/176391971.db2.gz WMWQPNFVCMCFMN-BPLDGKMQSA-N 1 0 232.371 2.144 10 0 BEAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC12CCOCC2 ZINC000336761139 176397108 /nfs/dbraw/zinc/39/71/08/176397108.db2.gz MWNUSRLTNOVHFE-IJLUTSLNSA-N 1 0 209.333 2.049 10 0 BEAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000134056754 176397197 /nfs/dbraw/zinc/39/71/97/176397197.db2.gz SXNSEWCPMHQJEH-VXGBXAGGSA-N 1 0 242.326 2.013 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1c1nc(-c2ccco2)no1 ZINC000335457681 176460475 /nfs/dbraw/zinc/46/04/75/176460475.db2.gz QRXCILQDVHWPBK-DTWKUNHWSA-N 1 0 233.271 2.185 10 0 BEAERO C[C@H](CCC[NH3+])C(=O)Nc1cccc(F)c1 ZINC000076611661 176620252 /nfs/dbraw/zinc/62/02/52/176620252.db2.gz XTQYFBANULVQKD-SECBINFHSA-N 1 0 224.279 2.139 10 0 BEAERO C[C@H](CC[NH2+]CCn1cncn1)c1ccccc1 ZINC000278916100 176629698 /nfs/dbraw/zinc/62/96/98/176629698.db2.gz UCBLPVGFWNUCRD-CYBMUJFWSA-N 1 0 244.342 2.062 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@@H](C)CO ZINC000134145484 176642158 /nfs/dbraw/zinc/64/21/58/176642158.db2.gz HPNYNCBSWBAIBM-QJPTWQEYSA-N 1 0 225.332 2.207 10 0 BEAERO C[C@H](CN(C)c1nc2ccccc2s1)C(N)=[NH2+] ZINC000042460007 176655061 /nfs/dbraw/zinc/65/50/61/176655061.db2.gz BJXSVBZFQYWRID-MRVPVSSYSA-N 1 0 248.355 2.305 10 0 BEAERO C[C@H](C[NH3+])CC(=O)Nc1ccc(Cl)cc1 ZINC000076612486 176657123 /nfs/dbraw/zinc/65/71/23/176657123.db2.gz VCAFZYLFRPOESW-QMMMGPOBSA-N 1 0 226.707 2.263 10 0 BEAERO C[C@H](C[NH3+])Nc1cccc(Cl)c1F ZINC000082639226 176661861 /nfs/dbraw/zinc/66/18/61/176661861.db2.gz KEMVAUBODRFIFL-ZCFIWIBFSA-N 1 0 202.660 2.238 10 0 BEAERO C[C@H](C[NH3+])c1nc2cc(F)ccc2s1 ZINC000054334442 176663575 /nfs/dbraw/zinc/66/35/75/176663575.db2.gz DSTUDBNZIQPVNU-ZCFIWIBFSA-N 1 0 210.277 2.498 10 0 BEAERO C[C@H](C[NH+]1CCCC1)Nc1ccc(F)cc1N ZINC000042598548 176664720 /nfs/dbraw/zinc/66/47/20/176664720.db2.gz LUANYABWBFLHIW-SNVBAGLBSA-N 1 0 237.322 2.304 10 0 BEAERO C[C@H](C[NH+]1CCCC1)Nc1ccccc1N ZINC000049152454 176664836 /nfs/dbraw/zinc/66/48/36/176664836.db2.gz GBFRLRFXGOYPMS-LLVKDONJSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@H]([NH3+])Cc1ccc2c(c1Cl)CCN2 ZINC000029212885 176761650 /nfs/dbraw/zinc/76/16/50/176761650.db2.gz UWEORUSMUYMWMZ-ZETCQYMHSA-N 1 0 210.708 2.198 10 0 BEAERO C[C@H]([NH3+])Cc1nc2cc(F)ccc2n1C1CC1 ZINC000037439829 176762313 /nfs/dbraw/zinc/76/23/13/176762313.db2.gz QFAWFCZYQGEEJU-QMMMGPOBSA-N 1 0 233.290 2.400 10 0 BEAERO C[C@H]([NH3+])Cc1cnc(C2CCCC2)nc1 ZINC000054857638 176762727 /nfs/dbraw/zinc/76/27/27/176762727.db2.gz ZTRVQCFSCGSKOO-VIFPVBQESA-N 1 0 205.305 2.024 10 0 BEAERO C[C@H]([NH3+])Cc1nc2cccc(Cl)c2n1C ZINC000037443529 176762770 /nfs/dbraw/zinc/76/27/70/176762770.db2.gz DXQVNGCXIZBFPE-ZETCQYMHSA-N 1 0 223.707 2.116 10 0 BEAERO C[C@H]([NH3+])[C@H](OC1CCOCC1)c1cccs1 ZINC000043112141 176771043 /nfs/dbraw/zinc/77/10/43/176771043.db2.gz JSNBENMGGRJZJH-CABZTGNLSA-N 1 0 241.356 2.332 10 0 BEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)n1cccn1 ZINC000043016555 176771514 /nfs/dbraw/zinc/77/15/14/176771514.db2.gz WMCOGGKFGUXWQL-JOYOIKCWSA-N 1 0 235.718 2.473 10 0 BEAERO C[C@H](NC(=O)Nc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000035691194 176805261 /nfs/dbraw/zinc/80/52/61/176805261.db2.gz MLRSPRPCZFUXIV-WCQYABFASA-N 1 0 247.342 2.339 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CC12CCOCC2)C1CC1 ZINC000336749147 176859480 /nfs/dbraw/zinc/85/94/80/176859480.db2.gz DZFRGUDHYNZNHU-JQWIXIFHSA-N 1 0 209.333 2.191 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@@H](C)CO ZINC000134145072 176909824 /nfs/dbraw/zinc/90/98/24/176909824.db2.gz HPNYNCBSWBAIBM-TUAOUCFPSA-N 1 0 225.332 2.207 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC12CCC2)[C@@H]1CCCO1 ZINC000308888016 176920183 /nfs/dbraw/zinc/92/01/83/176920183.db2.gz WKOYQWGZDWSJEA-SRVKXCTJSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)C1CCSCC1 ZINC000309014755 176924834 /nfs/dbraw/zinc/92/48/34/176924834.db2.gz TYTMCNPOVHLZLG-NHCYSSNCSA-N 1 0 229.389 2.285 10 0 BEAERO C[C@H](c1ccc(Cl)s1)N1CC[NH2+]CC1 ZINC000038086758 177033343 /nfs/dbraw/zinc/03/33/43/177033343.db2.gz XDFSCLUXZLJSKJ-MRVPVSSYSA-N 1 0 230.764 2.368 10 0 BEAERO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000336541207 177068044 /nfs/dbraw/zinc/06/80/44/177068044.db2.gz ZDJMHWUZRRWBBU-RYUDHWBXSA-N 1 0 209.333 2.430 10 0 BEAERO C[C@H]1CCCC[N@@H+]1[C@H](CN)Cc1ccccc1 ZINC000036879206 177078517 /nfs/dbraw/zinc/07/85/17/177078517.db2.gz LEZZPDOSFNLFSN-ZFWWWQNUSA-N 1 0 232.371 2.431 10 0 BEAERO C[C@H]1CCCCN1c1nc2ccccn2c1C[NH3+] ZINC000035433903 177078908 /nfs/dbraw/zinc/07/89/08/177078908.db2.gz VTPFIZHPDZVNHV-NSHDSACASA-N 1 0 244.342 2.172 10 0 BEAERO C[C@H]1CCCC[C@@H]1[N@H+](C)C1(CN)CCOCC1 ZINC000042606718 177080423 /nfs/dbraw/zinc/08/04/23/177080423.db2.gz NWYUYCAJYRMMJT-STQMWFEESA-N 1 0 240.391 2.005 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946213 177083357 /nfs/dbraw/zinc/08/33/57/177083357.db2.gz DPVIUEUTGXAACA-FPMFFAJLSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cncnc1 ZINC000054768144 177086094 /nfs/dbraw/zinc/08/60/94/177086094.db2.gz NFINGAXLYQYLHF-AAEUAGOBSA-N 1 0 219.332 2.393 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccncn1 ZINC000054789834 177086338 /nfs/dbraw/zinc/08/63/38/177086338.db2.gz IGJLTZGUMUGVDG-RYUDHWBXSA-N 1 0 219.332 2.393 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]CCn1ccc(=O)cc1 ZINC000061628647 177088620 /nfs/dbraw/zinc/08/86/20/177088620.db2.gz PHLVIEFGIMXFPS-GXTWGEPZSA-N 1 0 234.343 2.017 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]CCc1nccn1C ZINC000040638579 177089124 /nfs/dbraw/zinc/08/91/24/177089124.db2.gz NOYVIULOYKGVDQ-NWDGAFQWSA-N 1 0 221.348 2.131 10 0 BEAERO C[C@H]1CCCN(C(=O)/C=C/C(C)(C)C)[C@@H]1C[NH3+] ZINC000237574192 177090897 /nfs/dbraw/zinc/09/08/97/177090897.db2.gz JKOBEZMLSDBZPL-ADYIUWEDSA-N 1 0 238.375 2.175 10 0 BEAERO C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000021952999 177094446 /nfs/dbraw/zinc/09/44/46/177094446.db2.gz PKTIQZCNYCUNOY-NSHDSACASA-N 1 0 232.327 2.017 10 0 BEAERO C[C@H]1CCC[N@H+](Cc2ccc(O)c(N)c2)C1 ZINC000037272154 177100921 /nfs/dbraw/zinc/10/09/21/177100921.db2.gz DHSHCFLJQRDAKC-JTQLQIEISA-N 1 0 220.316 2.206 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@@H]2COc3ccccc3[C@@H]2N)C1 ZINC000019389329 177103473 /nfs/dbraw/zinc/10/34/73/177103473.db2.gz HHOMQURPHKDTPM-LNSITVRQSA-N 1 0 246.354 2.179 10 0 BEAERO C[C@@H]([NH3+])c1csc(N2CCC[C@H](C)C2)n1 ZINC000070844454 177105340 /nfs/dbraw/zinc/10/53/40/177105340.db2.gz GBPIFIXGGIISBZ-DTWKUNHWSA-N 1 0 225.361 2.399 10 0 BEAERO C[C@H]1CCCN(c2nc3ccccc3o2)[C@@H]1C[NH3+] ZINC000070178618 177105427 /nfs/dbraw/zinc/10/54/27/177105427.db2.gz BNPOBRLEYCJVSA-CMPLNLGQSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@H]1CCCN1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000037910444 177111665 /nfs/dbraw/zinc/11/16/65/177111665.db2.gz GMMCSGFNTMGBOJ-GWCFXTLKSA-N 1 0 222.307 2.310 10 0 BEAERO C[C@H]1CCC[NH2+][C@H]1C(=O)NCCC1CCCC1 ZINC000051793134 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248.326 2.005 10 0 BEAERO C[C@H]1CN(C)C[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451413 177237987 /nfs/dbraw/zinc/23/79/87/177237987.db2.gz MKAOWBFJHXWFOY-IGRMKNIWSA-N 1 0 248.414 2.351 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CC(C)(C)O1 ZINC000053923334 177257178 /nfs/dbraw/zinc/25/71/78/177257178.db2.gz FUJVMPWMZCXHLD-AVGNSLFASA-N 1 0 241.375 2.037 10 0 BEAERO C[C@H]1CN(Cc2ccccc2F)C(C)(C)C[NH2+]1 ZINC000062618152 177265883 /nfs/dbraw/zinc/26/58/83/177265883.db2.gz DIXVBWYAUUZTHV-NSHDSACASA-N 1 0 236.334 2.398 10 0 BEAERO C[C@@H]1CN([C@@]2(C[NH3+])CCCC[C@H]2C)C[C@H](C)O1 ZINC000034754806 177275295 /nfs/dbraw/zinc/27/52/95/177275295.db2.gz YYTZQACFASOKKM-YIYPIFLZSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccco1 ZINC000251663851 177279899 /nfs/dbraw/zinc/27/98/99/177279899.db2.gz HAINTICPDIWHCU-STQMWFEESA-N 1 0 234.343 2.338 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1CCc1ccccc1 ZINC000041260062 177281599 /nfs/dbraw/zinc/28/15/99/177281599.db2.gz 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C[C@](O)(c1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]C1 ZINC000071560110 177452169 /nfs/dbraw/zinc/45/21/69/177452169.db2.gz ZYBRFSPLWUKTLJ-HOTGVXAUSA-N 1 0 245.366 2.382 10 0 BEAERO C[C@]1(CCCCC2OCCO2)CCC[NH2+]1 ZINC000095725527 177459281 /nfs/dbraw/zinc/45/92/81/177459281.db2.gz XEVYLITWRGAAHR-LBPRGKRZSA-N 1 0 213.321 2.062 10 0 BEAERO CC1(C)C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCCO1 ZINC000383578737 487642573 /nfs/dbraw/zinc/64/25/73/487642573.db2.gz DSNWQGRCGGIIJL-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000400353900 226341780 /nfs/dbraw/zinc/34/17/80/226341780.db2.gz ANJKMOQCIAHGTE-SDDRHHMPSA-N 1 0 222.332 2.237 10 0 BEAERO COc1cc(N[C@H](C)[C@@H]2CC[NH2+]C2)ccc1F ZINC000400509295 226345362 /nfs/dbraw/zinc/34/53/62/226345362.db2.gz KZMJGXDQJTXRDP-NXEZZACHSA-N 1 0 238.306 2.244 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CCCc2ccccc2)C1 ZINC000401970749 226363932 /nfs/dbraw/zinc/36/39/32/226363932.db2.gz ZIUTZZINTNOHSZ-ZFWWWQNUSA-N 1 0 233.355 2.322 10 0 BEAERO Cc1cc(F)ccc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401969748 226364042 /nfs/dbraw/zinc/36/40/42/226364042.db2.gz YFMXRMWTJKDENJ-HZMBPMFUSA-N 1 0 237.318 2.337 10 0 BEAERO COc1cc(C)ccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079516275 487652452 /nfs/dbraw/zinc/65/24/52/487652452.db2.gz AHJFLHWEINUXEH-AWEZNQCLSA-N 1 0 248.326 2.084 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000228487948 487657195 /nfs/dbraw/zinc/65/71/95/487657195.db2.gz ASQPQUCHQSOUCQ-FRRDWIJNSA-N 1 0 240.391 2.397 10 0 BEAERO COCC[N@H+](CC(C)C)C[C@@H]1CCC[C@H](O)C1 ZINC000383663403 487658779 /nfs/dbraw/zinc/65/87/79/487658779.db2.gz JZKPANAGXHHOPZ-KGLIPLIRSA-N 1 0 243.391 2.142 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@H]2C1 ZINC000398756157 262768914 /nfs/dbraw/zinc/76/89/14/262768914.db2.gz YVEZXUFUVLWBBN-AAVRWANBSA-N 1 0 221.344 2.188 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)CC[NH2+]C1CC1 ZINC000040854778 487676651 /nfs/dbraw/zinc/67/66/51/487676651.db2.gz ODDZOAFMTJXGEB-LBPRGKRZSA-N 1 0 246.354 2.314 10 0 BEAERO CCOC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000383884242 487678665 /nfs/dbraw/zinc/67/86/65/487678665.db2.gz KGPJXLFNYSUXDO-OLZOCXBDSA-N 1 0 241.375 2.038 10 0 BEAERO [NH3+]CC1(CCN=c2[nH]c3ccccc3s2)CC1 ZINC000395801337 487702147 /nfs/dbraw/zinc/70/21/47/487702147.db2.gz AWMKFERNKVFZIC-UHFFFAOYSA-N 1 0 247.367 2.259 10 0 BEAERO CC[C@H](C)C[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000088300157 487719743 /nfs/dbraw/zinc/71/97/43/487719743.db2.gz STCUAUOYIQIBRQ-ZSVAQUKISA-N 1 0 240.391 2.445 10 0 BEAERO CCc1csc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000250258981 487729678 /nfs/dbraw/zinc/72/96/78/487729678.db2.gz AJYUQDFLIQHCIB-MWLCHTKSSA-N 1 0 239.388 2.269 10 0 BEAERO CCc1cc(N[C@@H](C[NH3+])CC(C)C)nc(C)n1 ZINC000088760646 487749862 /nfs/dbraw/zinc/74/98/62/487749862.db2.gz DBVXPRFEQKAFLV-GFCCVEGCSA-N 1 0 236.363 2.133 10 0 BEAERO CC[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000233887299 487750551 /nfs/dbraw/zinc/75/05/51/487750551.db2.gz HJLUNXWMFWHASI-NEPJUHHUSA-N 1 0 240.391 2.315 10 0 BEAERO CCC(C)(C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226458486 487753109 /nfs/dbraw/zinc/75/31/09/487753109.db2.gz OARAQPBCSDLZKG-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000051628557 487762867 /nfs/dbraw/zinc/76/28/67/487762867.db2.gz VSGHLLHFMSFSEW-AWEZNQCLSA-N 1 0 246.354 2.396 10 0 BEAERO CCn1nccc1-c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000234215398 487774221 /nfs/dbraw/zinc/77/42/21/487774221.db2.gz HIIIMWABITYZQE-LLVKDONJSA-N 1 0 229.327 2.460 10 0 BEAERO CCn1nccc1-c1ccc(C[C@H](C)[NH3+])cc1 ZINC000234215477 487774238 /nfs/dbraw/zinc/77/42/38/487774238.db2.gz HIIIMWABITYZQE-NSHDSACASA-N 1 0 229.327 2.460 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCCN(C)C2)o1 ZINC000051724712 487784029 /nfs/dbraw/zinc/78/40/29/487784029.db2.gz SAQTWMQJPIVYOG-NSHDSACASA-N 1 0 222.332 2.026 10 0 BEAERO CC[C@H]1CN(c2nc(C)c(C)s2)CC[C@H]1[NH3+] ZINC000251660844 487784630 /nfs/dbraw/zinc/78/46/30/487784630.db2.gz HAMGOPRYBYEVQQ-WDEREUQCSA-N 1 0 239.388 2.324 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251889547 487805471 /nfs/dbraw/zinc/80/54/71/487805471.db2.gz VWVLZBMXAFWBOE-YNEHKIRRSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251947086 487809519 /nfs/dbraw/zinc/80/95/19/487809519.db2.gz TXNYAAVGNRLFQG-SRVKXCTJSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251947084 487809551 /nfs/dbraw/zinc/80/95/51/487809551.db2.gz TXNYAAVGNRLFQG-SDDRHHMPSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1cnc(NC[C@@H]2CCCC[NH2+]2)s1 ZINC000107213371 487811321 /nfs/dbraw/zinc/81/13/21/487811321.db2.gz DXRLCWOQIXXZNW-VIFPVBQESA-N 1 0 211.334 2.006 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000252094372 487813834 /nfs/dbraw/zinc/81/38/34/487813834.db2.gz FEJUIPRXLUDKIR-NDBYEHHHSA-N 1 0 238.375 2.056 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccco2)no1 ZINC000089431209 487814442 /nfs/dbraw/zinc/81/44/42/487814442.db2.gz XPOHEUHWTIPPJJ-DTWKUNHWSA-N 1 0 233.271 2.172 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000089449537 487816245 /nfs/dbraw/zinc/81/62/45/487816245.db2.gz ZJZMZLZFSIYHHH-JOYOIKCWSA-N 1 0 236.290 2.139 10 0 BEAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000089449420 487816250 /nfs/dbraw/zinc/81/62/50/487816250.db2.gz ZIRWPLYJXILNMT-WCQYABFASA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000252125211 487816926 /nfs/dbraw/zinc/81/69/26/487816926.db2.gz JYXZLQUEMPXAQJ-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO CCCN(CC1CC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451113 487818462 /nfs/dbraw/zinc/81/84/62/487818462.db2.gz INWBEKQLLHPPEW-OLZOCXBDSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000089456245 487819729 /nfs/dbraw/zinc/81/97/29/487819729.db2.gz MBXSVDFLMNXZRO-QJPTWQEYSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000089456212 487819827 /nfs/dbraw/zinc/81/98/27/487819827.db2.gz BPDFORCPYKAGIA-DGCLKSJQSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089462513 487822448 /nfs/dbraw/zinc/82/24/48/487822448.db2.gz QBHYBSBPNLQFCQ-UPJWGTAASA-N 1 0 238.375 2.010 10 0 BEAERO CN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462516 487822579 /nfs/dbraw/zinc/82/25/79/487822579.db2.gz SFGUXHRADQEMDK-CHWSQXEVSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000389732564 487832896 /nfs/dbraw/zinc/83/28/96/487832896.db2.gz STVDOKMFVAJMDO-WZRBSPASSA-N 1 0 211.349 2.268 10 0 BEAERO CCC1([NH2+]Cc2ccc(CO)o2)CCC1 ZINC000129061501 487875535 /nfs/dbraw/zinc/87/55/35/487875535.db2.gz AJFBKBZVOVLYJV-UHFFFAOYSA-N 1 0 209.289 2.194 10 0 BEAERO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCOC1 ZINC000129537500 487876988 /nfs/dbraw/zinc/87/69/88/487876988.db2.gz YPKXECPUQILCBP-QKCSRTOESA-N 1 0 217.312 2.298 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)c1nc(CC(C)(C)C)no1 ZINC000082675373 643521012 /nfs/dbraw/zinc/52/10/12/643521012.db2.gz WQYFBOCFIJMHBY-HTQZYQBOSA-N 1 0 211.309 2.109 10 0 BEAERO Cc1cccc(C[N@H+](C)C[C@H]2CCC[C@H](O)C2)n1 ZINC000386733522 487892450 /nfs/dbraw/zinc/89/24/50/487892450.db2.gz BGDCHCSEGQUMDH-ZFWWWQNUSA-N 1 0 248.370 2.373 10 0 BEAERO CC(C)[C@H]1C[NH2+]CCN1c1ncccc1Cl ZINC000083367684 487904431 /nfs/dbraw/zinc/90/44/31/487904431.db2.gz RXDTYXJJCWTSDY-LLVKDONJSA-N 1 0 239.750 2.169 10 0 BEAERO COC[C@@H](C)[NH2+]CCOc1cc(C)ccc1C ZINC000049799904 487904795 /nfs/dbraw/zinc/90/47/95/487904795.db2.gz STFUKJGIZRXEIZ-CYBMUJFWSA-N 1 0 237.343 2.307 10 0 BEAERO c1ccc2c(c1)CC[NH2+][C@H]2CN1CCCCC1 ZINC000034628818 487921257 /nfs/dbraw/zinc/92/12/57/487921257.db2.gz MWFDWWMMOCTHRI-HNNXBMFYSA-N 1 0 230.355 2.359 10 0 BEAERO CC(C)c1nsc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000083670163 487926174 /nfs/dbraw/zinc/92/61/74/487926174.db2.gz MUJATQUGRZPAFO-SECBINFHSA-N 1 0 240.376 2.216 10 0 BEAERO Cc1c(-c2ccc(C[C@@H](C)[NH3+])cc2)cnn1C ZINC000235186630 487930543 /nfs/dbraw/zinc/93/05/43/487930543.db2.gz WXTKOXYGBVVBKI-SNVBAGLBSA-N 1 0 229.327 2.285 10 0 BEAERO C[C@@H]1CN(Cc2ccnc3ccccc23)C[C@@H]1[NH3+] ZINC000235395220 487948405 /nfs/dbraw/zinc/94/84/05/487948405.db2.gz BJVHNMQVPDOMAZ-RISCZKNCSA-N 1 0 241.338 2.014 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121679903 487953388 /nfs/dbraw/zinc/95/33/88/487953388.db2.gz BIESSFUSCONPGZ-MLGHIDQZSA-N 1 0 221.344 2.332 10 0 BEAERO Cc1ccoc1CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562957084 323035148 /nfs/dbraw/zinc/03/51/48/323035148.db2.gz UAYVBEQDKOTYBZ-NWDGAFQWSA-N 1 0 222.332 2.066 10 0 BEAERO C[C@H](O)[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000569721615 323038769 /nfs/dbraw/zinc/03/87/69/323038769.db2.gz AJZGNCBQINCNOL-AEGPPILISA-N 1 0 245.366 2.419 10 0 BEAERO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cscn2)C1 ZINC000161162424 323149581 /nfs/dbraw/zinc/14/95/81/323149581.db2.gz AETUNCZGALNFNL-QWRGUYRKSA-N 1 0 239.388 2.278 10 0 BEAERO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1C ZINC000049096265 323157381 /nfs/dbraw/zinc/15/73/81/323157381.db2.gz FGTVDYYZTKBLHN-AWEZNQCLSA-N 1 0 246.354 2.127 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC000124707300 323162759 /nfs/dbraw/zinc/16/27/59/323162759.db2.gz DCRQAWDEEQNBIU-VXGBXAGGSA-N 1 0 221.348 2.479 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2ncc[nH]2)C1 ZINC000521402108 323201153 /nfs/dbraw/zinc/20/11/53/323201153.db2.gz VLQQUOXDKUDNEY-BXKDBHETSA-N 1 0 207.321 2.410 10 0 BEAERO CC(C)C1CCC([NH3+])(c2ncc[nH]2)CC1 ZINC000521402195 323201314 /nfs/dbraw/zinc/20/13/14/323201314.db2.gz XHFBZRRUXDCAOY-UHFFFAOYSA-N 1 0 207.321 2.410 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCOc1ccccc1 ZINC000399330092 323203990 /nfs/dbraw/zinc/20/39/90/323203990.db2.gz XZDTUTKGQWTXNN-KBPBESRZSA-N 1 0 249.354 2.301 10 0 BEAERO CC(C)NC(=O)CC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000042123804 323243034 /nfs/dbraw/zinc/24/30/34/323243034.db2.gz LUQGTNAAHDVQRH-NSHDSACASA-N 1 0 238.375 2.164 10 0 BEAERO CC(C)NC(=O)CC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000042123806 323243179 /nfs/dbraw/zinc/24/31/79/323243179.db2.gz LUQGTNAAHDVQRH-LLVKDONJSA-N 1 0 238.375 2.164 10 0 BEAERO C[C@@H]1NCCC[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000396696117 323654798 /nfs/dbraw/zinc/65/47/98/323654798.db2.gz FATWZOKLUVMXLT-ZLKJLUDKSA-N 1 0 222.376 2.295 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000227504077 487962047 /nfs/dbraw/zinc/96/20/47/487962047.db2.gz JTOHFWFQBVOXBU-XQQFMLRXSA-N 1 0 244.448 2.446 10 0 BEAERO O[C@@H]1CC[C@@H]2C[C@@H]2CC[C@@H]1[NH+]1CCCC1 ZINC000536954362 323962436 /nfs/dbraw/zinc/96/24/36/323962436.db2.gz LAQXGQSERUXIJY-QNWHQSFQSA-N 1 0 209.333 2.022 10 0 BEAERO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000536957321 323967739 /nfs/dbraw/zinc/96/77/39/323967739.db2.gz DCGYIUNGLLYYDZ-ILWJIGKKSA-N 1 0 213.321 2.105 10 0 BEAERO COc1c(C[NH2+][C@@H]2CC[C@@H](C)C2)c(C)nn1C ZINC000123009309 324073434 /nfs/dbraw/zinc/07/34/34/324073434.db2.gz BCJQELRJHVHDHZ-MWLCHTKSSA-N 1 0 237.347 2.015 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229660059 324971696 /nfs/dbraw/zinc/97/16/96/324971696.db2.gz ININBWLNKCAAKU-UHFFFAOYSA-N 1 0 230.311 2.028 10 0 BEAERO CCCn1cc(C[NH2+][C@H](C)CSC)cn1 ZINC000130698488 325080880 /nfs/dbraw/zinc/08/08/80/325080880.db2.gz YZWJODLHRCRNIY-SNVBAGLBSA-N 1 0 227.377 2.134 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CC3=CCCCC3)C[C@@H]12 ZINC000311051135 325125516 /nfs/dbraw/zinc/12/55/16/325125516.db2.gz GSLMATHKWAUADX-MGPQQGTHSA-N 1 0 248.370 2.073 10 0 BEAERO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CC(O)C2)C1 ZINC000235385112 325261739 /nfs/dbraw/zinc/26/17/39/325261739.db2.gz RMUZSCAOMIBXAC-WHNWWWKISA-N 1 0 223.360 2.339 10 0 BEAERO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC(O)C1 ZINC000235575083 325275079 /nfs/dbraw/zinc/27/50/79/325275079.db2.gz FIWKEODOPKQLSL-WNYYMSAVSA-N 1 0 211.349 2.172 10 0 BEAERO Oc1ccc2c(c1)[C@@H]([NH2+]CC1CC(O)C1)CCC2 ZINC000236479369 325314474 /nfs/dbraw/zinc/31/44/74/325314474.db2.gz CYKNDULKFHGPBT-KHXKVGHRSA-N 1 0 247.338 2.130 10 0 BEAERO CSCCCC[NH2+][C@H](C)CCn1cccn1 ZINC000134625938 325368542 /nfs/dbraw/zinc/36/85/42/325368542.db2.gz CDSIUIMGFAHLGM-GFCCVEGCSA-N 1 0 241.404 2.395 10 0 BEAERO Cc1cccc(C[NH2+]Cc2cnccc2C)n1 ZINC000135458582 325413745 /nfs/dbraw/zinc/41/37/45/325413745.db2.gz XZBHVDGSGURRMA-UHFFFAOYSA-N 1 0 227.311 2.383 10 0 BEAERO C[NH+](C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000082283343 325534974 /nfs/dbraw/zinc/53/49/74/325534974.db2.gz QYMFKGKRCPQGHS-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000084445897 325582943 /nfs/dbraw/zinc/58/29/43/325582943.db2.gz QKLQOZPHOXVMSJ-XSRFYTQQSA-N 1 0 205.301 2.108 10 0 BEAERO OC1CC(C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000091425700 325686717 /nfs/dbraw/zinc/68/67/17/325686717.db2.gz JQOKCDPXBXLNEU-UHFFFAOYSA-N 1 0 231.339 2.293 10 0 BEAERO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000091524419 325687374 /nfs/dbraw/zinc/68/73/74/325687374.db2.gz JIAFNEXWKSKJGF-PNESKVBLSA-N 1 0 249.354 2.425 10 0 BEAERO COc1cccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000567647155 326238219 /nfs/dbraw/zinc/23/82/19/326238219.db2.gz WUTOXTAPJJZQIE-NEPJUHHUSA-N 1 0 234.343 2.495 10 0 BEAERO CC(C)c1cc(N[C@@H](C)C[C@H](C)[NH3+])ncn1 ZINC000165752495 326426242 /nfs/dbraw/zinc/42/62/42/326426242.db2.gz ZYFWVGVXGFVASC-UWVGGRQHSA-N 1 0 222.336 2.138 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccncc1Cl ZINC000165755374 326426411 /nfs/dbraw/zinc/42/64/11/326426411.db2.gz FMFBWLHKVYPAJU-HTQZYQBOSA-N 1 0 213.712 2.273 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)C[NH2+]C(C)C ZINC000134360082 487980370 /nfs/dbraw/zinc/98/03/70/487980370.db2.gz YMQWQSQKQYZOIV-GFCCVEGCSA-N 1 0 226.364 2.166 10 0 BEAERO C[C@]1(C(=O)NCC2CCCCC2)CCC[NH2+]C1 ZINC000062853536 487997610 /nfs/dbraw/zinc/99/76/10/487997610.db2.gz PQTFXDKOMFFLQQ-AWEZNQCLSA-N 1 0 238.375 2.073 10 0 BEAERO C[N@@H+](Cc1ccccn1)C[C@H]1CCC[C@H](O)C1 ZINC000310463902 488029127 /nfs/dbraw/zinc/02/91/27/488029127.db2.gz YTMUTYRLVPSWKC-JSGCOSHPSA-N 1 0 234.343 2.065 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000052274178 488037183 /nfs/dbraw/zinc/03/71/83/488037183.db2.gz ZADJBNZBQUEWMS-RNCFNFMXSA-N 1 0 213.284 2.128 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000052274181 488037373 /nfs/dbraw/zinc/03/73/73/488037373.db2.gz ZADJBNZBQUEWMS-ZANVPECISA-N 1 0 213.284 2.128 10 0 BEAERO C[NH2+]Cc1cc(C(F)(F)F)nn1C(C)C ZINC000409443497 488047406 /nfs/dbraw/zinc/04/74/06/488047406.db2.gz NXFBONKNERIUIV-UHFFFAOYSA-N 1 0 221.226 2.202 10 0 BEAERO CC(C)[C@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000319544355 488058564 /nfs/dbraw/zinc/05/85/64/488058564.db2.gz NUZVFIBHNMKQTN-AAEUAGOBSA-N 1 0 218.344 2.421 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1 ZINC000136291565 488092842 /nfs/dbraw/zinc/09/28/42/488092842.db2.gz WEPIKOLEIQQTDL-DGCLKSJQSA-N 1 0 234.343 2.237 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1c2ccccc2C[C@H]1C ZINC000136300319 488092925 /nfs/dbraw/zinc/09/29/25/488092925.db2.gz LPLVJXFOQJOLSP-YPMHNXCESA-N 1 0 246.354 2.338 10 0 BEAERO Cc1ccccc1CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136313179 488095066 /nfs/dbraw/zinc/09/50/66/488095066.db2.gz LDYFVAOELAAHGA-CQSZACIVSA-N 1 0 248.370 2.327 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000136427108 488102522 /nfs/dbraw/zinc/10/25/22/488102522.db2.gz ULZXJKAAJIQJAW-LBPRGKRZSA-N 1 0 245.326 2.480 10 0 BEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000148535109 488102982 /nfs/dbraw/zinc/10/29/82/488102982.db2.gz CAXIYXVXYXZYNA-JHJVBQTASA-N 1 0 246.354 2.300 10 0 BEAERO Cc1cccc(CCNC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136450944 488103562 /nfs/dbraw/zinc/10/35/62/488103562.db2.gz UTTIUYPEXWGHSL-CQSZACIVSA-N 1 0 248.370 2.027 10 0 BEAERO CCC1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000092956172 488104919 /nfs/dbraw/zinc/10/49/19/488104919.db2.gz VTKGCZHGDOQVPA-WTIISPKJSA-N 1 0 238.375 2.069 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCC12CCC2 ZINC000389692307 488105827 /nfs/dbraw/zinc/10/58/27/488105827.db2.gz HWRFIFKIZYJZHR-RYUDHWBXSA-N 1 0 209.333 2.478 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CNC1 ZINC000227662552 488115341 /nfs/dbraw/zinc/11/53/41/488115341.db2.gz JZFJLXALZMQUQL-WXHSDQCUSA-N 1 0 210.365 2.009 10 0 BEAERO O[C@@H]1CCC[C@H]1[NH+]1CCC(C2CC2)CC1 ZINC000660611694 488122344 /nfs/dbraw/zinc/12/23/44/488122344.db2.gz UJPXUVGLXSFQAT-CHWSQXEVSA-N 1 0 209.333 2.022 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382341788 487540796 /nfs/dbraw/zinc/54/07/96/487540796.db2.gz CKCBVRBLKUKZRD-RXGFPQBGSA-N 1 0 209.333 2.068 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000227155486 487555579 /nfs/dbraw/zinc/55/55/79/487555579.db2.gz WLIZHOTUOYASEO-QNWHQSFQSA-N 1 0 238.375 2.022 10 0 BEAERO CCCC(CCC)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000380561496 487479983 /nfs/dbraw/zinc/47/99/83/487479983.db2.gz MGPGIOPGBUQMEO-ZYHUDNBSSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1O ZINC000093654422 487481193 /nfs/dbraw/zinc/48/11/93/487481193.db2.gz FBZXVRPFJNRBFI-UHFFFAOYSA-N 1 0 248.326 2.157 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](CC)CC[C@@H]1C ZINC000304390486 487499192 /nfs/dbraw/zinc/49/91/92/487499192.db2.gz SWZGZCHUFNCDQV-SRVKXCTJSA-N 1 0 226.364 2.151 10 0 BEAERO CC(C)[C@@H]1CN(C(=O)Nc2ccccc2)CC[NH2+]1 ZINC000062622704 487500469 /nfs/dbraw/zinc/50/04/69/487500469.db2.gz GDWGRVODTVXGEG-ZDUSSCGKSA-N 1 0 247.342 2.148 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CCCCC1(F)F ZINC000381685442 487518182 /nfs/dbraw/zinc/51/81/82/487518182.db2.gz MUXQGQAKHJUHJC-GRYCIOLGSA-N 1 0 246.345 2.494 10 0 BEAERO OCC1CC([NH2+]CCC2CCCCC2)C1 ZINC000668779739 487525893 /nfs/dbraw/zinc/52/58/93/487525893.db2.gz QQYDELJEFPKEMY-UHFFFAOYSA-N 1 0 211.349 2.317 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000313469914 487525433 /nfs/dbraw/zinc/52/54/33/487525433.db2.gz MOWFBOXPCNSRMA-NWDGAFQWSA-N 1 0 240.391 2.304 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000657877113 488158959 /nfs/dbraw/zinc/15/89/59/488158959.db2.gz FCTFPALYYWFOCG-QWRGUYRKSA-N 1 0 211.349 2.316 10 0 BEAERO c1cc2cnccc2c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000061125356 487606408 /nfs/dbraw/zinc/60/64/08/487606408.db2.gz WEBUEIQLLFAELV-LBPRGKRZSA-N 1 0 242.322 2.361 10 0 BEAERO [NH3+]CC1(CCNc2ncccc2Cl)CC1 ZINC000395909902 487703268 /nfs/dbraw/zinc/70/32/68/487703268.db2.gz QHOBESSKOYJPDM-UHFFFAOYSA-N 1 0 225.723 2.276 10 0 BEAERO Cc1nsc(NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000097829722 487703907 /nfs/dbraw/zinc/70/39/07/487703907.db2.gz TWHKCGMFJKSSEB-UHFFFAOYSA-N 1 0 246.339 2.062 10 0 BEAERO c1ccc2c(c1)CC[C@H]2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000682069212 487891144 /nfs/dbraw/zinc/89/11/44/487891144.db2.gz DAUJWGDYZJDCES-GOEBONIOSA-N 1 0 242.366 2.454 10 0 BEAERO CCc1cccc(OCC[NH2+][C@H](C)COC)c1 ZINC000049799920 487904978 /nfs/dbraw/zinc/90/49/78/487904978.db2.gz WRGRLBXSWOKEAU-GFCCVEGCSA-N 1 0 237.343 2.252 10 0 BEAERO COC[C@H](C)[NH2+]CCOc1cc(C)ccc1C ZINC000049799903 487905015 /nfs/dbraw/zinc/90/50/15/487905015.db2.gz STFUKJGIZRXEIZ-ZDUSSCGKSA-N 1 0 237.343 2.307 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000229602395 487930642 /nfs/dbraw/zinc/93/06/42/487930642.db2.gz STTGRULAUVENMC-NWDGAFQWSA-N 1 0 248.374 2.461 10 0 BEAERO CC(C)C([NH2+]C[C@@H]1CCCN1C)C(C)C ZINC000379911302 488156423 /nfs/dbraw/zinc/15/64/23/488156423.db2.gz MWRLCCSCXBRAFG-LBPRGKRZSA-N 1 0 212.381 2.351 10 0 BEAERO CC[C@H]([NH2+]C1CCC(O)CC1)[C@H]1C[C@@H]1C ZINC000322045767 488167373 /nfs/dbraw/zinc/16/73/73/488167373.db2.gz ORRRZJNVQLQWMW-JSPGJAJPSA-N 1 0 211.349 2.314 10 0 BEAERO CC1(C)CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000380075739 488171567 /nfs/dbraw/zinc/17/15/67/488171567.db2.gz JQPGCIYRTHZNSU-RYUDHWBXSA-N 1 0 211.349 2.269 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccccc1 ZINC000136299786 488177298 /nfs/dbraw/zinc/17/72/98/488177298.db2.gz IFBCQRANELVPIH-CYBMUJFWSA-N 1 0 234.343 2.018 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC2(CCC2)CC1 ZINC000308690507 488214708 /nfs/dbraw/zinc/21/47/08/488214708.db2.gz FYZDTIIVOTWMPW-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO CCC(CC)(C[NH2+][C@H]1CO[C@H](C2CC2)C1)OC ZINC000668188894 488217608 /nfs/dbraw/zinc/21/76/08/488217608.db2.gz RSIPRZYLEGGRID-OLZOCXBDSA-N 1 0 241.375 2.349 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398773330 488223450 /nfs/dbraw/zinc/22/34/50/488223450.db2.gz HYATVBPRSMDOAP-CYDGBPFRSA-N 1 0 211.349 2.124 10 0 BEAERO C[C@@H]1[N@H+](C[C@H]2CCC[C@@H](O)C2)CCOC1(C)C ZINC000660006579 490131863 /nfs/dbraw/zinc/13/18/63/490131863.db2.gz PQHBMTYDKABBBZ-RWMBFGLXSA-N 1 0 241.375 2.037 10 0 BEAERO CCC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000227427551 490169332 /nfs/dbraw/zinc/16/93/32/490169332.db2.gz OLTHGJRCNNDLHG-VXGBXAGGSA-N 1 0 238.375 2.058 10 0 BEAERO CNc1cc(C)[nH+]c(N2CCC(C)CC2)n1 ZINC000074934139 490309657 /nfs/dbraw/zinc/30/96/57/490309657.db2.gz BYSZSGVCMHMMOQ-UHFFFAOYSA-N 1 0 220.320 2.063 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000308316916 490406078 /nfs/dbraw/zinc/40/60/78/490406078.db2.gz GNDMYZBKBJRDSQ-OPRDCNLKSA-N 1 0 213.321 2.105 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccnc1 ZINC000217660017 490478847 /nfs/dbraw/zinc/47/88/47/490478847.db2.gz FMSCPHGAKLLGHZ-WCFLWFBJSA-N 1 0 220.316 2.036 10 0 BEAERO CC(=O)N1CCC([NH2+][C@@H](C)CC2CCC2)CC1 ZINC000128587758 490581888 /nfs/dbraw/zinc/58/18/88/490581888.db2.gz MWCXZPTVSHKBFF-NSHDSACASA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CCc2nnc[nH]2)CC(C)(C)C1 ZINC000080577183 490644578 /nfs/dbraw/zinc/64/45/78/490644578.db2.gz AKCCIYHJXLCKIS-MNOVXSKESA-N 1 0 236.363 2.152 10 0 BEAERO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000309504348 491056265 /nfs/dbraw/zinc/05/62/65/491056265.db2.gz BNRQKNUEPZRTKD-AUZPSNTRSA-N 1 0 219.328 2.149 10 0 BEAERO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C(C)(C)O1 ZINC000227321697 491058341 /nfs/dbraw/zinc/05/83/41/491058341.db2.gz PCPJEARLSLQPMJ-UTUOFQBUSA-N 1 0 241.375 2.226 10 0 BEAERO [NH3+][C@@H]1c2c(Cl)cc(Cl)cc2CC[C@@H]1O ZINC000039941506 491110661 /nfs/dbraw/zinc/11/06/61/491110661.db2.gz QASZXAAVJFJJSX-WPRPVWTQSA-N 1 0 232.110 2.300 10 0 BEAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)C(C)C ZINC000083862879 491126590 /nfs/dbraw/zinc/12/65/90/491126590.db2.gz OEFGTKCDLGDPOJ-RYUDHWBXSA-N 1 0 228.380 2.158 10 0 BEAERO CN1C[C@@H](C[NH2+]CCC2CCCCC2)CC1=O ZINC000668617187 491128752 /nfs/dbraw/zinc/12/87/52/491128752.db2.gz VYBOFYGGBNGOOK-CYBMUJFWSA-N 1 0 238.375 2.025 10 0 BEAERO COC[C@@H](C)C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000131901189 491133821 /nfs/dbraw/zinc/13/38/21/491133821.db2.gz YLNNEEZCUKOECY-LBPRGKRZSA-N 1 0 243.391 2.190 10 0 BEAERO Cc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)c(Cl)c1 ZINC000300214914 491138023 /nfs/dbraw/zinc/13/80/23/491138023.db2.gz ZCLMLIGHZHZRPU-GXFFZTMASA-N 1 0 238.762 2.427 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000308825883 491138270 /nfs/dbraw/zinc/13/82/70/491138270.db2.gz DQTNOVBVKIPJQK-RTXFEEFZSA-N 1 0 211.349 2.458 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CN(CC)C[C@@H]1C)C1CC1 ZINC000309171497 491145764 /nfs/dbraw/zinc/14/57/64/491145764.db2.gz LKUKINDZXYCEHO-WCFLWFBJSA-N 1 0 210.365 2.105 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ncccc2Cl)C1 ZINC000309483172 491149540 /nfs/dbraw/zinc/14/95/40/491149540.db2.gz UITQATLUZDSSCK-GXSJLCMTSA-N 1 0 239.750 2.487 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CCSCC1 ZINC000309550560 491151150 /nfs/dbraw/zinc/15/11/50/491151150.db2.gz ICOZMMQAQGYLKL-DRZSPHRISA-N 1 0 243.416 2.411 10 0 BEAERO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCC[NH3+] ZINC000133721372 491159908 /nfs/dbraw/zinc/15/99/08/491159908.db2.gz BAKXQFROMHRWBK-OAHLLOKOSA-N 1 0 248.370 2.353 10 0 BEAERO CC[C@H](C)[C@@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757126916 582501700 /nfs/dbraw/zinc/50/17/00/582501700.db2.gz HUMQVOGBUSXCHM-OIBJUYFYSA-N 1 0 228.361 2.032 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@]12CCC[N@@H+]2CC1CC1 ZINC000757126552 582501724 /nfs/dbraw/zinc/50/17/24/582501724.db2.gz GCQOXTAZGKOREY-AAEUAGOBSA-N 1 0 208.349 2.003 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757138165 582517101 /nfs/dbraw/zinc/51/71/01/582517101.db2.gz BAESMUDEUZINFJ-UHFFFAOYSA-N 1 0 231.286 2.192 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757138340 582517491 /nfs/dbraw/zinc/51/74/91/582517491.db2.gz BSDKYGOHGLYWFA-SNVBAGLBSA-N 1 0 231.286 2.190 10 0 BEAERO CC1(C)C[C@]2(CO1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757138599 582518107 /nfs/dbraw/zinc/51/81/07/582518107.db2.gz CHWMQVAQZXGNHN-ZDUSSCGKSA-N 1 0 227.348 2.306 10 0 BEAERO CC(C)[C@H]1[NH2+][C@@]2(CCCOC2)OCC12CCC2 ZINC000757138944 582518535 /nfs/dbraw/zinc/51/85/35/582518535.db2.gz FIENFZIWFBBLBY-OCCSQVGLSA-N 1 0 239.359 2.308 10 0 BEAERO Cc1cc(C[C@H](O)C[C@H](C)[NH3+])ccc1Cl ZINC000757147109 582530579 /nfs/dbraw/zinc/53/05/79/582530579.db2.gz SNGFWICSOUTCMH-GXSJLCMTSA-N 1 0 227.735 2.289 10 0 BEAERO CC[C@@H]1CCNC2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757147388 582531400 /nfs/dbraw/zinc/53/14/00/582531400.db2.gz SARXNMWQYRJENT-LLVKDONJSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@H]1CC(C)(C)OC2(CCSCC2)[NH2+]1 ZINC000757148248 582531853 /nfs/dbraw/zinc/53/18/53/582531853.db2.gz MUGKWRNSRWYYQD-VIFPVBQESA-N 1 0 215.362 2.387 10 0 BEAERO Cc1cc(C[C@@](C)(O)[C@@H](C)[NH3+])ccc1Cl ZINC000757159714 582541057 /nfs/dbraw/zinc/54/10/57/582541057.db2.gz QARBWKLKLHYDDK-BXKDBHETSA-N 1 0 227.735 2.289 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000488346293 533722428 /nfs/dbraw/zinc/72/24/28/533722428.db2.gz IZPAGJXUKZAYJD-MQYQWHSLSA-N 1 0 223.360 2.269 10 0 BEAERO C[C@H](N[C@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400443410 534008579 /nfs/dbraw/zinc/00/85/79/534008579.db2.gz OWJPPHQJXHGZSZ-UBHSHLNASA-N 1 0 246.354 2.240 10 0 BEAERO C[C@@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401501981 534112641 /nfs/dbraw/zinc/11/26/41/534112641.db2.gz PFZBBKFEXYAVMD-DYEKYZERSA-N 1 0 219.328 2.450 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1CC[C@H](OC)C1 ZINC000234194324 536102159 /nfs/dbraw/zinc/10/21/59/536102159.db2.gz JUARVXSOUSICHF-AAEUAGOBSA-N 1 0 222.332 2.165 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000082920231 518189424 /nfs/dbraw/zinc/18/94/24/518189424.db2.gz WKAZULKSMPUDAA-NWDGAFQWSA-N 1 0 218.300 2.061 10 0 BEAERO c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000368496507 518203833 /nfs/dbraw/zinc/20/38/33/518203833.db2.gz PAOQUZNXZGGNES-APIJFGDWSA-N 1 0 229.323 2.156 10 0 BEAERO CC(C)(C)COc1ccccc1CNCC[NH3+] ZINC000072226339 518671726 /nfs/dbraw/zinc/67/17/26/518671726.db2.gz GINGSFUXVOKPCS-UHFFFAOYSA-N 1 0 236.359 2.160 10 0 BEAERO CC(C)CCC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000020251954 519635486 /nfs/dbraw/zinc/63/54/86/519635486.db2.gz ROTLWOZDFIHKTQ-GFCCVEGCSA-N 1 0 226.364 2.071 10 0 BEAERO CC(C)CCNc1nc(C(C)C)cc(NN)[nH+]1 ZINC000057331701 519664221 /nfs/dbraw/zinc/66/42/21/519664221.db2.gz JNYMNKUBBHNJSR-UHFFFAOYSA-N 1 0 237.351 2.344 10 0 BEAERO CCOC(=O)C[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000252474673 520854719 /nfs/dbraw/zinc/85/47/19/520854719.db2.gz JUDXOJUKZVXYSC-GHMZBOCLSA-N 1 0 213.321 2.060 10 0 BEAERO CC(C)(C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259125628 534567034 /nfs/dbraw/zinc/56/70/34/534567034.db2.gz ULTUWIIOARRNPX-JTQLQIEISA-N 1 0 226.364 2.008 10 0 BEAERO Cc1cc(C)cc(C(=O)NCCCCC[NH3+])c1 ZINC000083767769 524367425 /nfs/dbraw/zinc/36/74/25/524367425.db2.gz QICVWOZZSZFKCF-UHFFFAOYSA-N 1 0 234.343 2.162 10 0 BEAERO Cc1ccccc1-c1noc(NCC[NH+](C)C)n1 ZINC000057354097 525021718 /nfs/dbraw/zinc/02/17/18/525021718.db2.gz YYLJRIZKLQXODC-UHFFFAOYSA-N 1 0 246.314 2.019 10 0 BEAERO C[C@H]1CC(CNC(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000306378434 526227120 /nfs/dbraw/zinc/22/71/20/526227120.db2.gz GJFLAZAAQXIUNF-UWVGGRQHSA-N 1 0 242.363 2.288 10 0 BEAERO CC(=O)Nc1ccc(N[C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400706788 527015061 /nfs/dbraw/zinc/01/50/61/527015061.db2.gz LGKWMOUNVGZLEV-PWSUYJOCSA-N 1 0 247.342 2.055 10 0 BEAERO CC(=O)Nc1cccc(N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400562579 527070977 /nfs/dbraw/zinc/07/09/77/527070977.db2.gz IDHFWOQJLNVKIA-PWSUYJOCSA-N 1 0 247.342 2.055 10 0 BEAERO CC(C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)=C1CCCC1 ZINC000248644556 534962862 /nfs/dbraw/zinc/96/28/62/534962862.db2.gz SAIOZOCATHANCI-MELADBBJSA-N 1 0 248.370 2.073 10 0 BEAERO CC(C)[C@H](C[NH3+])N1CCCc2ccccc21 ZINC000022177433 534991043 /nfs/dbraw/zinc/99/10/43/534991043.db2.gz VPQOGLSDEJGQNI-AWEZNQCLSA-N 1 0 218.344 2.423 10 0 BEAERO CC(C)(C)c1ccnc(N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000261553424 535135084 /nfs/dbraw/zinc/13/50/84/535135084.db2.gz AJBKZGPOBBYRPK-GHMZBOCLSA-N 1 0 248.374 2.313 10 0 BEAERO CC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000224739841 535157895 /nfs/dbraw/zinc/15/78/95/535157895.db2.gz SMCSFWIWJYVJKX-MXWKQRLJSA-N 1 0 209.333 2.190 10 0 BEAERO CCC[NH2+]CCN1CCCc2ccccc21 ZINC000044380382 535158354 /nfs/dbraw/zinc/15/83/54/535158354.db2.gz HWPZCVSNZLHCAD-UHFFFAOYSA-N 1 0 218.344 2.439 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000037090188 535168072 /nfs/dbraw/zinc/16/80/72/535168072.db2.gz RJRLQCAPMHLOHM-OLZOCXBDSA-N 1 0 248.374 2.080 10 0 BEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(c2ccncn2)C1 ZINC000104420397 535186668 /nfs/dbraw/zinc/18/66/68/535186668.db2.gz DHDCKTZQXCIKAI-QWHCGFSZSA-N 1 0 248.374 2.081 10 0 BEAERO CCOC(=O)[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000259976654 535503727 /nfs/dbraw/zinc/50/37/27/535503727.db2.gz KJDULXCGUGFVAR-LBPRGKRZSA-N 1 0 225.332 2.204 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226615551 535539421 /nfs/dbraw/zinc/53/94/21/535539421.db2.gz JELFVAGICDKGQI-ZIAGYGMSSA-N 1 0 222.376 2.417 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000248374034 535559781 /nfs/dbraw/zinc/55/97/81/535559781.db2.gz NLQAKCIFEWJBLK-PWSUYJOCSA-N 1 0 207.321 2.356 10 0 BEAERO CCOc1ccc(C)cc1N1CCC([NH3+])CC1 ZINC000043471319 535712071 /nfs/dbraw/zinc/71/20/71/535712071.db2.gz LNMBZRKINXFFOU-UHFFFAOYSA-N 1 0 234.343 2.321 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CCCCC1 ZINC000348112261 535808292 /nfs/dbraw/zinc/80/82/92/535808292.db2.gz WTXILYSQUUHMQE-CHWSQXEVSA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@@H]1COCCN1c1cc(C)ccc1C[NH3+] ZINC000051579155 535836228 /nfs/dbraw/zinc/83/62/28/535836228.db2.gz VAVBJKVTTFTTFW-CYBMUJFWSA-N 1 0 234.343 2.069 10 0 BEAERO CC[C@H]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000080456589 536093446 /nfs/dbraw/zinc/09/34/46/536093446.db2.gz ZILZQYBJUOCBDI-YWPUVAFDSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@H]1CC[C@@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000230880141 536094671 /nfs/dbraw/zinc/09/46/71/536094671.db2.gz WMHYJSRETYFJAZ-WCQYABFASA-N 1 0 221.348 2.131 10 0 BEAERO CCn1cccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250326815 536102274 /nfs/dbraw/zinc/10/22/74/536102274.db2.gz AINGGRJQAHCIHI-KGLIPLIRSA-N 1 0 247.386 2.224 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@]1(C)CCCO1 ZINC000087233817 536102701 /nfs/dbraw/zinc/10/27/01/536102701.db2.gz OMYWIQMGPZCESS-CYBMUJFWSA-N 1 0 222.332 2.167 10 0 BEAERO CCc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000049708817 536185609 /nfs/dbraw/zinc/18/56/09/536185609.db2.gz USSBQXDTOFPEOU-BXUZGUMPSA-N 1 0 218.344 2.423 10 0 BEAERO CC[C@@H](Cn1cc[nH+]c1N)CC(F)(F)F ZINC000702554698 582927385 /nfs/dbraw/zinc/92/73/85/582927385.db2.gz CNKJELSOOUNBFQ-SSDOTTSWSA-N 1 0 221.226 2.444 10 0 BEAERO C[N@H+](CCCCCO)C[C@H]1Cc2ccccc21 ZINC000227116541 536333403 /nfs/dbraw/zinc/33/34/03/536333403.db2.gz HWFHRUJFZLPSKS-CQSZACIVSA-N 1 0 233.355 2.421 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cccc(C)c2)C[C@H]1C ZINC000049709780 536378545 /nfs/dbraw/zinc/37/85/45/536378545.db2.gz DCNWMVMMPCDFFW-TZMCWYRMSA-N 1 0 218.344 2.429 10 0 BEAERO C[NH2+][C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000053204917 536415519 /nfs/dbraw/zinc/41/55/19/536415519.db2.gz JXPAUBRDXYZQMG-ZDUSSCGKSA-N 1 0 241.338 2.423 10 0 BEAERO CN1CC[N@H+](C[C@H]2CCCC2(F)F)C(C)(C)C1 ZINC000336197554 536415851 /nfs/dbraw/zinc/41/58/51/536415851.db2.gz USMQKZLHCBMPRQ-LLVKDONJSA-N 1 0 246.345 2.448 10 0 BEAERO CN(C[C@H]1CCCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000261533095 536443731 /nfs/dbraw/zinc/44/37/31/536443731.db2.gz NGOYYMQPSCBXAO-WDEREUQCSA-N 1 0 232.318 2.106 10 0 BEAERO COc1ccc(Cl)cc1N1CCC([NH3+])CC1 ZINC000037483361 536567257 /nfs/dbraw/zinc/56/72/57/536567257.db2.gz UISUNCDFMBDANT-UHFFFAOYSA-N 1 0 240.734 2.276 10 0 BEAERO COc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)ccc1F ZINC000083366180 536831970 /nfs/dbraw/zinc/83/19/70/536831970.db2.gz XGRGNQDAJWYOHZ-VHSXEESVSA-N 1 0 238.306 2.021 10 0 BEAERO C[C@@](O)(CC[NH3+])c1ccc(Br)cc1 ZINC000085899402 537972426 /nfs/dbraw/zinc/97/24/26/537972426.db2.gz WKAFWBXSWZHMOA-SNVBAGLBSA-N 1 0 244.132 2.005 10 0 BEAERO CCC[C@@H]1CC[C@H](O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245719 538002080 /nfs/dbraw/zinc/00/20/80/538002080.db2.gz LSOMZOBBXSSULA-RNJOBUHISA-N 1 0 211.349 2.173 10 0 BEAERO CC(C)c1cc(C[NH3+])c(-c2ccnn2C)o1 ZINC000725257180 538061665 /nfs/dbraw/zinc/06/16/65/538061665.db2.gz ICCXSJZPDDBINR-UHFFFAOYSA-N 1 0 219.288 2.262 10 0 BEAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262838 538089430 /nfs/dbraw/zinc/08/94/30/538089430.db2.gz YGOWQTOGQJSRMH-GHMZBOCLSA-N 1 0 244.260 2.110 10 0 BEAERO COP(=O)(C[C@@H]1CCCCC[NH2+]1)OC ZINC000308535363 566298347 /nfs/dbraw/zinc/29/83/47/566298347.db2.gz LECQHVNDDDIUHE-VIFPVBQESA-N 1 0 221.237 2.005 10 0 BEAERO C[C@H](CC1CCC1)[NH2+]Cc1cnn(C)c1 ZINC000132609539 566321374 /nfs/dbraw/zinc/32/13/74/566321374.db2.gz BHKKXASKAAADAC-SNVBAGLBSA-N 1 0 207.321 2.088 10 0 BEAERO [NH3+]C[C@@H]1[C@@H](c2cccc(F)c2)C1(F)F ZINC000675053753 566415531 /nfs/dbraw/zinc/41/55/31/566415531.db2.gz QPVFAWHQNTURTM-RKDXNWHRSA-N 1 0 201.191 2.133 10 0 BEAERO C[C@H]1Cc2nc(CC[NH3+])sc2[C@H](C)C1 ZINC000082830174 566419902 /nfs/dbraw/zinc/41/99/02/566419902.db2.gz VICCQSCFIXJJNI-HTQZYQBOSA-N 1 0 210.346 2.330 10 0 BEAERO C[C@@H]1CNCC[N@H+]1[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000669380726 566425711 /nfs/dbraw/zinc/42/57/11/566425711.db2.gz URIFDEVSMMMUHA-JHJVBQTASA-N 1 0 224.392 2.495 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](CC[C@H]2CCC2=O)C1 ZINC000669381203 566425722 /nfs/dbraw/zinc/42/57/22/566425722.db2.gz BETXGSLBNCXKBF-IJLUTSLNSA-N 1 0 209.333 2.334 10 0 BEAERO CC(C)C(=O)N1c2ccccc2CCC[C@@H]1C[NH3+] ZINC000725262725 566308770 /nfs/dbraw/zinc/30/87/70/566308770.db2.gz NOVYRLOVALGIFC-CYBMUJFWSA-N 1 0 246.354 2.339 10 0 BEAERO CC1(C)C[C@@]2(CO1)[NH2+]CCc1sccc12 ZINC000397176346 583098132 /nfs/dbraw/zinc/09/81/32/583098132.db2.gz GSWJGOLRVVDQGS-LBPRGKRZSA-N 1 0 223.341 2.288 10 0 BEAERO CCC1(C)CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000112013350 588780262 /nfs/dbraw/zinc/78/02/62/588780262.db2.gz IVYBPXAJIIOWJO-UHFFFAOYSA-N 1 0 234.347 2.384 10 0 BEAERO CCCC[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757124070 582499456 /nfs/dbraw/zinc/49/94/56/582499456.db2.gz BNOUIKAPGMZWBP-STQMWFEESA-N 1 0 210.365 2.393 10 0 BEAERO C[C@@H]1CC[C@@]2(CCCN2CC(F)(F)F)C[NH2+]1 ZINC000757125251 582499941 /nfs/dbraw/zinc/49/99/41/582499941.db2.gz DFJYGFKYGROJQK-ZJUUUORDSA-N 1 0 236.281 2.155 10 0 BEAERO CCC[C@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757125768 582500896 /nfs/dbraw/zinc/50/08/96/582500896.db2.gz GAWJXBOTURGPJV-QMMMGPOBSA-N 1 0 214.334 2.004 10 0 BEAERO C[C@@H]1C[NH2+]C[C@]2(CCCN2CC(F)(F)F)C1 ZINC000757126853 582501153 /nfs/dbraw/zinc/50/11/53/582501153.db2.gz HHQKEGFNBFZOSR-UWVGGRQHSA-N 1 0 236.281 2.013 10 0 BEAERO COc1cccc(C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000757126645 582501389 /nfs/dbraw/zinc/50/13/89/582501389.db2.gz IOIDEARUKFUJMR-ZYHUDNBSSA-N 1 0 205.301 2.093 10 0 BEAERO CC[C@H]1CCC[C@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757139364 582519687 /nfs/dbraw/zinc/51/96/87/582519687.db2.gz GRYHEHULPCLYJS-JSGCOSHPSA-N 1 0 239.359 2.309 10 0 BEAERO CC(C)[C@@H]1[NH2+][C@]2(CCCOC2)OCC1(C)C ZINC000757140813 582521537 /nfs/dbraw/zinc/52/15/37/582521537.db2.gz CARVZMJNGDFECI-WCQYABFASA-N 1 0 227.348 2.164 10 0 BEAERO CC(C)[C@H]1O[C@@]2(CCCOCC2)[NH2+]CC12CC2 ZINC000757141775 582522252 /nfs/dbraw/zinc/52/22/52/582522252.db2.gz JUXMIYZKUMTPPL-TZMCWYRMSA-N 1 0 239.359 2.308 10 0 BEAERO CC(C)[C@H]1O[C@]2(CCCOCC2)[NH2+]CC12CC2 ZINC000757141754 582522521 /nfs/dbraw/zinc/52/25/21/582522521.db2.gz JUXMIYZKUMTPPL-OCCSQVGLSA-N 1 0 239.359 2.308 10 0 BEAERO [NH3+][C@@H](c1ccc(O)c2ccncc21)C1CC1 ZINC000757141611 582522546 /nfs/dbraw/zinc/52/25/46/582522546.db2.gz AQASESPRXXYUAT-CYBMUJFWSA-N 1 0 214.268 2.350 10 0 BEAERO CC(C)(C)[C@H]1CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757143444 582523618 /nfs/dbraw/zinc/52/36/18/582523618.db2.gz XNGNUPXNESSOQA-DGCLKSJQSA-N 1 0 227.348 2.308 10 0 BEAERO c1ccc(C[C@H]2CCOC3(CCOCC3)[NH2+]2)cc1 ZINC000757143883 582524583 /nfs/dbraw/zinc/52/45/83/582524583.db2.gz FMGCYOASXYHLLC-CQSZACIVSA-N 1 0 247.338 2.114 10 0 BEAERO C1CC2(C1)C[NH2+][C@@]1(CCCOC1)OC21CCC1 ZINC000757144797 582525550 /nfs/dbraw/zinc/52/55/50/582525550.db2.gz NVUGVRYWCDYTFG-AWEZNQCLSA-N 1 0 237.343 2.206 10 0 BEAERO Cc1cc(C[C@@H](O)C[C@H](C)[NH3+])ccc1Cl ZINC000757147139 582530855 /nfs/dbraw/zinc/53/08/55/582530855.db2.gz SNGFWICSOUTCMH-ONGXEEELSA-N 1 0 227.735 2.289 10 0 BEAERO CCC1CCC2(CC1)[NH2+][C@H](COC)CCO2 ZINC000757148644 582533240 /nfs/dbraw/zinc/53/32/40/582533240.db2.gz NTSASILHJKUQOA-CPCZMJQVSA-N 1 0 227.348 2.308 10 0 BEAERO CC1(C)C[C@]2(CO1)[NH2+]CC1(CCCCC1)CO2 ZINC000757151974 582536065 /nfs/dbraw/zinc/53/60/65/582536065.db2.gz UMOSALUQYJYCFE-AWEZNQCLSA-N 1 0 239.359 2.452 10 0 BEAERO C1CC2(C1)CC[NH2+][C@]1(CCCSC1)O2 ZINC000757153555 582538366 /nfs/dbraw/zinc/53/83/66/582538366.db2.gz XOFZFVCQTFNLSS-LLVKDONJSA-N 1 0 213.346 2.142 10 0 BEAERO Cc1ccoc1CSCCC1C[NH2+]C1 ZINC000757163640 582544966 /nfs/dbraw/zinc/54/49/66/582544966.db2.gz DGPSFMCPMRFCCD-UHFFFAOYSA-N 1 0 211.330 2.431 10 0 BEAERO CCO[C@H](C[NH3+])CSCc1occc1C ZINC000757166843 582548110 /nfs/dbraw/zinc/54/81/10/582548110.db2.gz SKGZQXVTCVSZIZ-SNVBAGLBSA-N 1 0 229.345 2.185 10 0 BEAERO Cc1ccoc1CSC[C@H]1CC[NH2+]C1 ZINC000757167734 582548413 /nfs/dbraw/zinc/54/84/13/582548413.db2.gz XQSIFRQUBDVTON-JTQLQIEISA-N 1 0 211.330 2.431 10 0 BEAERO CCCC[C@H](C)c1n[nH]c2c1C[NH2+]CC2 ZINC000757169085 582549593 /nfs/dbraw/zinc/54/95/93/582549593.db2.gz WNQONFUTGYWSQZ-VIFPVBQESA-N 1 0 207.321 2.349 10 0 BEAERO C[NH2+][C@H](CO)[C@H](C)SCc1ccc(Cl)o1 ZINC000757169291 582550685 /nfs/dbraw/zinc/55/06/85/582550685.db2.gz HPARNJIJDWGCSK-IONNQARKSA-N 1 0 249.763 2.135 10 0 BEAERO C[NH2+]C[C@H](O)CCSCc1ccc(Cl)o1 ZINC000757172377 582551501 /nfs/dbraw/zinc/55/15/01/582551501.db2.gz XARUVPYQRIYOIL-MRVPVSSYSA-N 1 0 249.763 2.137 10 0 BEAERO [NH3+]C[C@H]1CC(=O)Nc2ccc(Cl)c(Cl)c21 ZINC000757176098 582552538 /nfs/dbraw/zinc/55/25/38/582552538.db2.gz ZRUPRWDUJOSJNG-RXMQYKEDSA-N 1 0 245.109 2.378 10 0 BEAERO C[C@H]1Oc2ccc(C(F)(F)F)cc2[C@@H]1[NH3+] ZINC000757176070 582552585 /nfs/dbraw/zinc/55/25/85/582552585.db2.gz ZIMGLRZZTDNXFQ-MLUIRONXSA-N 1 0 217.190 2.486 10 0 BEAERO CC(=O)c1cccc([C@@H]2CC[C@H]([NH3+])[C@H](C)N2)c1 ZINC000757218555 582562345 /nfs/dbraw/zinc/56/23/45/582562345.db2.gz WFASCCHLKQNSFA-HERUPUMHSA-N 1 0 232.327 2.030 10 0 BEAERO CC(=O)c1cccc([C@@H]2CC[C@@H]([NH3+])[C@H](C)N2)c1 ZINC000757218554 582562834 /nfs/dbraw/zinc/56/28/34/582562834.db2.gz WFASCCHLKQNSFA-FZZIBODNSA-N 1 0 232.327 2.030 10 0 BEAERO Cc1ccsc1[C@H]1CC[NH+]=C2N[C@H](C)CN21 ZINC000235434759 582580156 /nfs/dbraw/zinc/58/01/56/582580156.db2.gz HMIGVBXZYRENPR-NXEZZACHSA-N 1 0 235.356 2.151 10 0 BEAERO Cc1cn2c([nH+]1)NC[C@@H](c1ccccc1)C2 ZINC000236045090 582637718 /nfs/dbraw/zinc/63/77/18/582637718.db2.gz CZCIJUONZSGUPV-GFCCVEGCSA-N 1 0 213.284 2.401 10 0 BEAERO Cc1cn2c([nH+]1)NCC[C@H]2c1nccs1 ZINC000236046515 582637811 /nfs/dbraw/zinc/63/78/11/582637811.db2.gz SVNICRWPSFLOMS-QMMMGPOBSA-N 1 0 220.301 2.053 10 0 BEAERO [NH3+][C@H](CCc1ccccc1)c1ncccn1 ZINC000037467264 582674973 /nfs/dbraw/zinc/67/49/73/582674973.db2.gz DHHYWILQBBLDLS-GFCCVEGCSA-N 1 0 213.284 2.109 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H]([C@H]2CCC(C)(C)C2=O)C1 ZINC000253177631 582675087 /nfs/dbraw/zinc/67/50/87/582675087.db2.gz QSJVACRIELFXCJ-GMTAPVOTSA-N 1 0 209.333 2.380 10 0 BEAERO Cc1ccc(Cn2cc[nH+]c2N)cc1C ZINC000037483149 582675132 /nfs/dbraw/zinc/67/51/32/582675132.db2.gz XBFQTJBEMIAWMD-UHFFFAOYSA-N 1 0 201.273 2.130 10 0 BEAERO Cc1cc(C)cc(Cn2cc[nH+]c2N)c1 ZINC000043393061 582754411 /nfs/dbraw/zinc/75/44/11/582754411.db2.gz UTXKBNZDOIFLBQ-UHFFFAOYSA-N 1 0 201.273 2.130 10 0 BEAERO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cnc[nH]1 ZINC000112344065 582819649 /nfs/dbraw/zinc/81/96/49/582819649.db2.gz KLMCPNBXXPXODL-ZDUSSCGKSA-N 1 0 231.274 2.326 10 0 BEAERO CCN1C[C@H]([NH2+]Cc2ccc(C)o2)[C@@H](C)C1 ZINC000393736914 582921401 /nfs/dbraw/zinc/92/14/01/582921401.db2.gz CLMBWRKXTQDPKU-GWCFXTLKSA-N 1 0 222.332 2.018 10 0 BEAERO Nc1[nH+]ccn1C[C@@H]1CCCC(F)(F)C1 ZINC000702431513 582925895 /nfs/dbraw/zinc/92/58/95/582925895.db2.gz SIZXZIMYOGGSID-MRVPVSSYSA-N 1 0 215.247 2.291 10 0 BEAERO C[C@@H]1CCC[C@@H](CC(=O)C2(Cl)CC2)[NH2+]1 ZINC000702366504 582925904 /nfs/dbraw/zinc/92/59/04/582925904.db2.gz ZNMCSPVVAVCVNP-BDAKNGLRSA-N 1 0 215.724 2.248 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@]21CCCOCC1 ZINC000397282530 583099551 /nfs/dbraw/zinc/09/95/51/583099551.db2.gz HZSVQXVMRUATCY-LBPRGKRZSA-N 1 0 223.341 2.290 10 0 BEAERO CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000219382807 583174984 /nfs/dbraw/zinc/17/49/84/583174984.db2.gz WCFRLWGNJFPOEI-MGPQQGTHSA-N 1 0 243.391 2.188 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000123358543 583386936 /nfs/dbraw/zinc/38/69/36/583386936.db2.gz GHSSGMGADNAHAK-HTQZYQBOSA-N 1 0 243.294 2.397 10 0 BEAERO COc1cc(Cl)cc2c1OC[C@@H]([C@H](C)[NH3+])C2 ZINC000675063386 584892843 /nfs/dbraw/zinc/89/28/43/584892843.db2.gz DYMRJLAMFPFMFO-CBAPKCEASA-N 1 0 241.718 2.247 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1occc1C ZINC000126732282 584944178 /nfs/dbraw/zinc/94/41/78/584944178.db2.gz RFVVJPSIOZYWHJ-QWRGUYRKSA-N 1 0 209.289 2.245 10 0 BEAERO C[C@H](CCO)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000132964804 585029728 /nfs/dbraw/zinc/02/97/28/585029728.db2.gz CITKIOCOQVHETJ-OLZOCXBDSA-N 1 0 241.375 2.229 10 0 BEAERO c1cn2c([nH+]1)NCC[C@H]2c1ccsc1 ZINC000232463265 585030993 /nfs/dbraw/zinc/03/09/93/585030993.db2.gz BNTJXDIZHVMUAE-VIFPVBQESA-N 1 0 205.286 2.350 10 0 BEAERO CCOc1cccc(-c2ccc(C[NH3+])nn2)c1F ZINC000757567236 586309573 /nfs/dbraw/zinc/30/95/73/586309573.db2.gz NNQAITCDQLCYHE-UHFFFAOYSA-N 1 0 247.273 2.140 10 0 BEAERO CC[C@@H]1[NH2+][C@@H](c2ccc(OC)cc2)CCO1 ZINC000757139635 586427903 /nfs/dbraw/zinc/42/79/03/586427903.db2.gz HNTRMKYIJCEMHB-CHWSQXEVSA-N 1 0 221.300 2.482 10 0 BEAERO [NH3+][C@H](c1ccc(O)c2ncccc12)C1CC1 ZINC000757144179 586428005 /nfs/dbraw/zinc/42/80/05/586428005.db2.gz HUXWHJJOHSZTAJ-LBPRGKRZSA-N 1 0 214.268 2.350 10 0 BEAERO CCC[C@@H]1CC[NH2+][C@@]2(CCCOCC2)O1 ZINC000757147325 586428876 /nfs/dbraw/zinc/42/88/76/586428876.db2.gz MDPVVNPGUTZSTF-NEPJUHHUSA-N 1 0 213.321 2.062 10 0 BEAERO [NH3+]C[C@@H]1CCN1Cc1ccc(Cl)cc1F ZINC000757149305 586428967 /nfs/dbraw/zinc/42/89/67/586428967.db2.gz ZSRRXCOKHSPVAT-JTQLQIEISA-N 1 0 228.698 2.012 10 0 BEAERO CC[C@@H]([NH3+])C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757151675 586428981 /nfs/dbraw/zinc/42/89/81/586428981.db2.gz JGTRSSNYWKSACY-LLVKDONJSA-N 1 0 225.719 2.497 10 0 BEAERO CC[C@@](O)(C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757161504 586432192 /nfs/dbraw/zinc/43/21/92/586432192.db2.gz VZOWJZKJYWTPBW-LBPRGKRZSA-N 1 0 227.735 2.291 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1c1cccc(C=O)c1 ZINC000757212372 586437234 /nfs/dbraw/zinc/43/72/34/586437234.db2.gz INERYQASUJCTTE-MFKMUULPSA-N 1 0 203.285 2.355 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C=O)s1 ZINC000757207074 586437386 /nfs/dbraw/zinc/43/73/86/586437386.db2.gz AYBRUFQURNVIGS-SCZZXKLOSA-N 1 0 209.314 2.274 10 0 BEAERO c1cc2c(cc1C1CCOCC1)CC[NH2+]C2 ZINC000757207887 586437802 /nfs/dbraw/zinc/43/78/02/586437802.db2.gz CORYPUVFPSSJQZ-UHFFFAOYSA-N 1 0 217.312 2.226 10 0 BEAERO CC[C@@H]1CCC[C@@]2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000757217440 586441529 /nfs/dbraw/zinc/44/15/29/586441529.db2.gz KMGSTOHHLRMDPN-MDZLAQPJSA-N 1 0 225.332 2.237 10 0 BEAERO CC1(C)CCC[C@@]2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000757217991 586441635 /nfs/dbraw/zinc/44/16/35/586441635.db2.gz LVHUSVKIYXAGNU-MFKMUULPSA-N 1 0 225.332 2.237 10 0 BEAERO CC(C)[C@@H]1CCC[C@@]2(CC(=O)O[C@@H]2C[NH3+])C1 ZINC000757224111 586442738 /nfs/dbraw/zinc/44/27/38/586442738.db2.gz NYTJJEBQFUYHMR-WZRBSPASSA-N 1 0 225.332 2.093 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1C[NH2+]CC[C@@H]1C ZINC000757234451 586443105 /nfs/dbraw/zinc/44/31/05/586443105.db2.gz KMTFMSZPQZBRBK-GXFFZTMASA-N 1 0 204.317 2.290 10 0 BEAERO CC(C)(C)C1CCC([C@@H](C[NH3+])CO)CC1 ZINC000107894365 588415266 /nfs/dbraw/zinc/41/52/66/588415266.db2.gz PUTDLOMDYYEDQZ-CXQJBGSLSA-N 1 0 213.365 2.406 10 0 BEAERO Cc1cccc(Cc2noc(CC[C@H](C)[NH3+])n2)c1 ZINC000109517534 588564915 /nfs/dbraw/zinc/56/49/15/588564915.db2.gz LHDNWDWQXZSYJW-NSHDSACASA-N 1 0 245.326 2.249 10 0 BEAERO CCC[N@H+](CCC(C)=O)C[C@@H]1CCCCO1 ZINC000120864010 589472991 /nfs/dbraw/zinc/47/29/91/589472991.db2.gz JPBJHQPZQMEVCH-ZDUSSCGKSA-N 1 0 227.348 2.247 10 0 BEAERO Cc1cc(C[NH2+]CC[C@@H](C)[S@](C)=O)c(C)o1 ZINC000122129686 589556626 /nfs/dbraw/zinc/55/66/26/589556626.db2.gz ZFAWIFNSNBSKJW-QLJPJBMISA-N 1 0 243.372 2.143 10 0 BEAERO C[C@@H]1C[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000122571948 589604961 /nfs/dbraw/zinc/60/49/61/589604961.db2.gz DXWLBWACISZDOC-NXEZZACHSA-N 1 0 209.337 2.089 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1cccc(Cl)n1 ZINC000122914946 589643558 /nfs/dbraw/zinc/64/35/58/589643558.db2.gz OBIPGCYDAJWLPW-BDAKNGLRSA-N 1 0 225.723 2.274 10 0 BEAERO CSCC[C@H](C)[N@H+](C)CCC(C)=O ZINC000122948454 589645194 /nfs/dbraw/zinc/64/51/94/589645194.db2.gz MBBRPZDPVYZHNJ-VIFPVBQESA-N 1 0 203.351 2.039 10 0 BEAERO C[C@@H]([NH3+])CN(C)c1nccc2ccccc21 ZINC000123806267 589822650 /nfs/dbraw/zinc/82/26/50/589822650.db2.gz MODTXAGAIZSVLY-SNVBAGLBSA-N 1 0 215.300 2.018 10 0 BEAERO CCCc1noc(-c2cccc3c2CC[NH2+]C3)n1 ZINC000124468166 590017321 /nfs/dbraw/zinc/01/73/21/590017321.db2.gz DRIUNYUXMYJSLE-UHFFFAOYSA-N 1 0 243.310 2.335 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1c1cc(C)[nH+]c(N)n1 ZINC000124472265 590018698 /nfs/dbraw/zinc/01/86/98/590018698.db2.gz XLGYOCOBNYYNJR-VHSXEESVSA-N 1 0 220.320 2.135 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N1c1cc(C)[nH+]c(N)n1 ZINC000124472731 590019281 /nfs/dbraw/zinc/01/92/81/590019281.db2.gz XLGYOCOBNYYNJR-NXEZZACHSA-N 1 0 220.320 2.135 10 0 BEAERO Cc1cc(C[C@@H](C)[NH2+]Cc2ccoc2)[nH]n1 ZINC000124474797 590021014 /nfs/dbraw/zinc/02/10/14/590021014.db2.gz BQCQWTILHGCTGN-SECBINFHSA-N 1 0 219.288 2.032 10 0 BEAERO CCC[C@H](C)C[NH2+]CC(C)(C)N(C)C ZINC000020125991 590076582 /nfs/dbraw/zinc/07/65/82/590076582.db2.gz XFLILZFXLSLOGM-NSHDSACASA-N 1 0 200.370 2.352 10 0 BEAERO C1=CCC([NH2+]Cc2cnn(-c3ccccc3)n2)C1 ZINC000125242815 590159057 /nfs/dbraw/zinc/15/90/57/590159057.db2.gz QBYAGRCEJSUPKF-UHFFFAOYSA-N 1 0 240.310 2.076 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cncc(Cl)n1 ZINC000126500871 590322463 /nfs/dbraw/zinc/32/24/63/590322463.db2.gz JPFUWTCCDAKTQP-IUCAKERBSA-N 1 0 240.738 2.059 10 0 BEAERO CCC[C@@H](C)C(=O)OCCN1CCSCC1 ZINC000127323159 590620941 /nfs/dbraw/zinc/62/09/41/590620941.db2.gz YQNPXLZSFVAEMO-LLVKDONJSA-N 1 0 245.388 2.015 10 0 BEAERO CCOCCCC[NH2+][C@@H]1CCCSC1 ZINC000128245949 590950440 /nfs/dbraw/zinc/95/04/40/590950440.db2.gz OGZKKQZORPXQAL-LLVKDONJSA-N 1 0 217.378 2.288 10 0 BEAERO CCN(CC[NH2+][C@H]1CCCSC1)C(C)C ZINC000128255017 590951479 /nfs/dbraw/zinc/95/14/79/590951479.db2.gz BHHMDUCRXPDADR-LBPRGKRZSA-N 1 0 230.421 2.202 10 0 BEAERO CC(C)(C)[S@@](=O)CC[NH2+][C@@H]1CCCSC1 ZINC000128277445 590955464 /nfs/dbraw/zinc/95/54/64/590955464.db2.gz DTHMQMNXMGXYCX-MEBBXXQBSA-N 1 0 249.445 2.019 10 0 BEAERO CC(C)(C)[S@](=O)CC[NH2+][C@H]1CCCSC1 ZINC000128278067 590955615 /nfs/dbraw/zinc/95/56/15/590955615.db2.gz DTHMQMNXMGXYCX-BONVTDFDSA-N 1 0 249.445 2.019 10 0 BEAERO C[C@@H]1C[N@@H+](CCC(=O)C(C)(C)C)C[C@H](C)N1C ZINC000128496671 591096763 /nfs/dbraw/zinc/09/67/63/591096763.db2.gz JHHVPRRVDBQZGJ-TXEJJXNPSA-N 1 0 240.391 2.016 10 0 BEAERO CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000128888504 591175581 /nfs/dbraw/zinc/17/55/81/591175581.db2.gz KHPCGTHWKFFNSO-QWRGUYRKSA-N 1 0 222.336 2.137 10 0 BEAERO COc1cc(F)ccc1N[C@H]1CCC[NH2+]CC1 ZINC000129193944 591266544 /nfs/dbraw/zinc/26/65/44/591266544.db2.gz FZKVLJFPUVRXTM-NSHDSACASA-N 1 0 238.306 2.388 10 0 BEAERO CCSCC[NH+]1CCC(C(C)=O)CC1 ZINC000129175028 591267260 /nfs/dbraw/zinc/26/72/60/591267260.db2.gz FRUGQYKUWLXFBB-UHFFFAOYSA-N 1 0 215.362 2.041 10 0 BEAERO C[N@H+](CCCOC(=O)C1CC1)Cc1ccccc1 ZINC000129489755 591312532 /nfs/dbraw/zinc/31/25/32/591312532.db2.gz GXMAGJTWQDQFLO-UHFFFAOYSA-N 1 0 247.338 2.462 10 0 BEAERO CCOC(CC[NH2+]Cc1ccoc1)OCC ZINC000130657755 591494748 /nfs/dbraw/zinc/49/47/48/591494748.db2.gz NARRKHZZMPODQC-UHFFFAOYSA-N 1 0 227.304 2.158 10 0 BEAERO C([NH2+][C@H]1CCCSC1)[C@@H]1CSCCS1 ZINC000131700307 591637582 /nfs/dbraw/zinc/63/75/82/591637582.db2.gz PYBDOTMYGSILOB-VHSXEESVSA-N 1 0 249.470 2.320 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+]CC2(C)CCCC2)[C@@H]1OC ZINC000131701920 591643880 /nfs/dbraw/zinc/64/38/80/591643880.db2.gz XWDHGDZKFXEFEE-XQQFMLRXSA-N 1 0 241.375 2.349 10 0 BEAERO Cc1cc(F)ccc1-c1noc(CC[C@@H](C)[NH3+])n1 ZINC000132477069 591711206 /nfs/dbraw/zinc/71/12/06/591711206.db2.gz VULZIVXMKXWPNH-SECBINFHSA-N 1 0 249.289 2.464 10 0 BEAERO C[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000132577167 591720829 /nfs/dbraw/zinc/72/08/29/591720829.db2.gz DURNITDWKNQSKG-KXUCPTDWSA-N 1 0 239.281 2.468 10 0 BEAERO Cc1cc2c(ncnc2N[C@@H](C)CC[NH3+])s1 ZINC000134273836 591907748 /nfs/dbraw/zinc/90/77/48/591907748.db2.gz JILICBCGVJKRIR-ZETCQYMHSA-N 1 0 236.344 2.149 10 0 BEAERO O[C@@H](C[NH2+]Cc1ccoc1)c1ccccc1F ZINC000134284699 591911266 /nfs/dbraw/zinc/91/12/66/591911266.db2.gz UDEKSIHRCNHHRY-ZDUSSCGKSA-N 1 0 235.258 2.242 10 0 BEAERO CCC[C@@H](O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000134410608 591925251 /nfs/dbraw/zinc/92/52/51/591925251.db2.gz FVPIVTKWCCUZSY-CHWSQXEVSA-N 1 0 241.375 2.229 10 0 BEAERO Cc1nnc(C[NH2+]CC2CCCC2)s1 ZINC000134665047 591946415 /nfs/dbraw/zinc/94/64/15/591946415.db2.gz DLPWBRSKHQILJF-UHFFFAOYSA-N 1 0 211.334 2.126 10 0 BEAERO COC(C)(C)C[C@H](C)[NH2+]Cc1nnc(C)s1 ZINC000134723105 591947558 /nfs/dbraw/zinc/94/75/58/591947558.db2.gz FRCQZJFCUATZAJ-QMMMGPOBSA-N 1 0 243.376 2.140 10 0 BEAERO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCSC2)[nH]n1 ZINC000134815159 591951808 /nfs/dbraw/zinc/95/18/08/591951808.db2.gz SROYGDHEUJVUEA-ONGXEEELSA-N 1 0 239.388 2.134 10 0 BEAERO CC[C@H](O)CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000135045035 591979335 /nfs/dbraw/zinc/97/93/35/591979335.db2.gz KTHPANNCHAHBCT-STQMWFEESA-N 1 0 241.375 2.229 10 0 BEAERO CC(C)[C@@H](CO)[NH2+]Cc1cncc2ccccc21 ZINC000135782348 592054480 /nfs/dbraw/zinc/05/44/80/592054480.db2.gz WMZFZUXNSQHXRQ-OAHLLOKOSA-N 1 0 244.338 2.341 10 0 BEAERO C[C@H](O)C[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000136406350 592117238 /nfs/dbraw/zinc/11/72/38/592117238.db2.gz YODXONSXSLZBRH-RYUDHWBXSA-N 1 0 244.338 2.484 10 0 BEAERO CCN(C(=O)C[C@H]([NH3+])C1CC1)c1ccc(C)cc1 ZINC000137386170 592175544 /nfs/dbraw/zinc/17/55/44/592175544.db2.gz GREGZYODTITEEI-AWEZNQCLSA-N 1 0 246.354 2.475 10 0 BEAERO CC[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000137388680 592175911 /nfs/dbraw/zinc/17/59/11/592175911.db2.gz IJLAFRZAXPMGRH-UONOGXRCSA-N 1 0 246.354 2.381 10 0 BEAERO CC[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000137388731 592175960 /nfs/dbraw/zinc/17/59/60/592175960.db2.gz IJLAFRZAXPMGRH-KGLIPLIRSA-N 1 0 246.354 2.381 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1nccnc1C ZINC000219118267 592209104 /nfs/dbraw/zinc/20/91/04/592209104.db2.gz ZQTRKQWCILRMMT-SDDRHHMPSA-N 1 0 235.331 2.003 10 0 BEAERO Cc1cnc(C)c(NCCCCCC[NH3+])n1 ZINC000222137609 592468080 /nfs/dbraw/zinc/46/80/80/592468080.db2.gz VLLCSXIYURQHRK-UHFFFAOYSA-N 1 0 222.336 2.024 10 0 BEAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ncc[nH]2)CCO1 ZINC000124663944 634430417 /nfs/dbraw/zinc/43/04/17/634430417.db2.gz LCUYJZRGPRYDEU-GARJFASQSA-N 1 0 223.320 2.018 10 0 BEAERO CCC(CC)CNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000125062180 634455686 /nfs/dbraw/zinc/45/56/86/634455686.db2.gz OBIJISHORUCGQR-QWHCGFSZSA-N 1 0 240.391 2.304 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@H](C)O)cc1C ZINC000336766939 635284866 /nfs/dbraw/zinc/28/48/66/635284866.db2.gz SOZSSVKPMRISMS-NEPJUHHUSA-N 1 0 207.317 2.162 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+][C@H](C)CCc1ccsc1 ZINC000336760554 635285767 /nfs/dbraw/zinc/28/57/67/635285767.db2.gz LTEAYPHBMMOCQU-OUAUKWLOSA-N 1 0 227.373 2.428 10 0 BEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)[C@@H](C)O ZINC000336753853 635288206 /nfs/dbraw/zinc/28/82/06/635288206.db2.gz HVZZTPUOBOBHLP-WUHRBBMRSA-N 1 0 211.349 2.338 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000226379593 635432961 /nfs/dbraw/zinc/43/29/61/635432961.db2.gz WADUNIISEMUTBE-NDBYEHHHSA-N 1 0 238.375 2.199 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNc1nccs1 ZINC000308617018 631344013 /nfs/dbraw/zinc/34/40/13/631344013.db2.gz SAZPWKNUYMZTAS-VIFPVBQESA-N 1 0 213.350 2.285 10 0 BEAERO C[C@@H]([NH3+])CN(C)c1ncc(Cl)cc1Cl ZINC000082592503 631407004 /nfs/dbraw/zinc/40/70/04/631407004.db2.gz ZLEVMLNBIKICGC-ZCFIWIBFSA-N 1 0 234.130 2.172 10 0 BEAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H](C)O ZINC000308629744 631445528 /nfs/dbraw/zinc/44/55/28/631445528.db2.gz YLSOTBRZCQLGFI-KXUCPTDWSA-N 1 0 213.346 2.476 10 0 BEAERO CCCCN(CC)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089386277 631505202 /nfs/dbraw/zinc/50/52/02/631505202.db2.gz ODSVLHKMPIYMAC-CHWSQXEVSA-N 1 0 240.391 2.400 10 0 BEAERO CCCc1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000093679457 631570199 /nfs/dbraw/zinc/57/01/99/631570199.db2.gz KMGQNGHELXBXDU-FGWVZKOKSA-N 1 0 235.331 2.095 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647545 631578526 /nfs/dbraw/zinc/57/85/26/631578526.db2.gz BESZZHOUVWBEIK-XQQFMLRXSA-N 1 0 240.391 2.460 10 0 BEAERO CCCCCC[C@@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178702712 635654240 /nfs/dbraw/zinc/65/42/40/635654240.db2.gz XOHDAVRWCWCGOS-VXGBXAGGSA-N 1 0 228.380 2.446 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000308812473 631666151 /nfs/dbraw/zinc/66/61/51/631666151.db2.gz HSHHMRGDNFKABK-CKIKVBCHSA-N 1 0 209.333 2.332 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000309947286 631753288 /nfs/dbraw/zinc/75/32/88/631753288.db2.gz DVJMIVKEBBSOPB-QEYWKRMJSA-N 1 0 239.281 2.466 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)[C@H](C)O ZINC000309058024 631833193 /nfs/dbraw/zinc/83/31/93/631833193.db2.gz VGPZHLHMPZQXRM-SFYZADRCSA-N 1 0 231.698 2.338 10 0 BEAERO C[C@H]([NH2+]Cc1nc(Cl)cs1)[C@@H]1CCCO1 ZINC000309087948 631874958 /nfs/dbraw/zinc/87/49/58/631874958.db2.gz ABZZGSMEQFEEGS-YUMQZZPRSA-N 1 0 246.763 2.454 10 0 BEAERO CCN(C[C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000051890144 632000092 /nfs/dbraw/zinc/00/00/92/632000092.db2.gz WHLTZAGGMUALGU-CYBMUJFWSA-N 1 0 218.344 2.431 10 0 BEAERO CC(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000052044032 632052434 /nfs/dbraw/zinc/05/24/34/632052434.db2.gz LULZKBVNVJMVKX-CHWSQXEVSA-N 1 0 231.343 2.312 10 0 BEAERO [NH3+]C1CC(CNc2ncccc2C(F)(F)F)C1 ZINC000091538596 632058963 /nfs/dbraw/zinc/05/89/63/632058963.db2.gz MNCXYXIPBGCRPW-UHFFFAOYSA-N 1 0 245.248 2.250 10 0 BEAERO OC[C@H]1CCCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000309528149 632467642 /nfs/dbraw/zinc/46/76/42/632467642.db2.gz VGEOCAVTLZVIEO-YPMHNXCESA-N 1 0 223.360 2.460 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]C(C)(C)CO)c1 ZINC000308972611 632602264 /nfs/dbraw/zinc/60/22/64/632602264.db2.gz FOMUHKTWBZMXPG-LLVKDONJSA-N 1 0 207.317 2.417 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000309074623 632635613 /nfs/dbraw/zinc/63/56/13/632635613.db2.gz IVFBXKDRMUEZMM-NDBYEHHHSA-N 1 0 211.349 2.314 10 0 BEAERO CC[C@H]([NH2+]Cc1nonc1C)C(C)(C)C ZINC000309166933 632657510 /nfs/dbraw/zinc/65/75/10/632657510.db2.gz JLSXNFHLSUCSCT-JTQLQIEISA-N 1 0 211.309 2.292 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC[S@@](=O)CC ZINC000309197813 632763403 /nfs/dbraw/zinc/76/34/03/632763403.db2.gz QUDYGSBCPBOIJX-XUJVJEKNSA-N 1 0 231.405 2.313 10 0 BEAERO CCCc1cccc(C[NH2+][C@H](C)[C@H](C)O)c1 ZINC000309449164 633083540 /nfs/dbraw/zinc/08/35/40/633083540.db2.gz KPAXTIYLRGISST-NEPJUHHUSA-N 1 0 221.344 2.498 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cccc(Cl)n2)C1 ZINC000309452609 633084326 /nfs/dbraw/zinc/08/43/26/633084326.db2.gz LOPYFQOFOADKJN-ZJUUUORDSA-N 1 0 239.750 2.487 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]CC12CCC(CC)CC2 ZINC000166544844 633116695 /nfs/dbraw/zinc/11/66/95/633116695.db2.gz GCWQJRHDYDJVEC-MBHSVXNSSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(C)ccc1C ZINC000166565576 633116749 /nfs/dbraw/zinc/11/67/49/633116749.db2.gz LZSJJHFWCZEPNU-ZIAGYGMSSA-N 1 0 247.338 2.170 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)c(C)c1 ZINC000166603029 633119636 /nfs/dbraw/zinc/11/96/36/633119636.db2.gz QAPUGDDCBVOCAJ-ZIAGYGMSSA-N 1 0 247.338 2.170 10 0 BEAERO Clc1cccc2[nH]c3c(c21)CC[NH2+]C3 ZINC000059792127 636048751 /nfs/dbraw/zinc/04/87/51/636048751.db2.gz OPKAGYFPOVUZHQ-UHFFFAOYSA-N 1 0 206.676 2.467 10 0 BEAERO Cc1cc(N[C@@H](C)Cc2ccsc2)nc(N)[nH+]1 ZINC000108643563 636116675 /nfs/dbraw/zinc/11/66/75/636116675.db2.gz IDBWTHRBERTNMK-QMMMGPOBSA-N 1 0 248.355 2.472 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2[C@H](C)CC[C@@H]2C)c1 ZINC000309767957 633727103 /nfs/dbraw/zinc/72/71/03/633727103.db2.gz JWBBOJKMZNCMSY-ITGUQSILSA-N 1 0 221.348 2.216 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2c(C)noc2C)C1 ZINC000328177718 633735293 /nfs/dbraw/zinc/73/52/93/633735293.db2.gz LQNFNEPSCRABKM-CABZTGNLSA-N 1 0 237.347 2.036 10 0 BEAERO CCN1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000040502085 633816904 /nfs/dbraw/zinc/81/69/04/633816904.db2.gz ZTEWUCKJKZVXMX-HNNXBMFYSA-N 1 0 232.371 2.303 10 0 BEAERO CCN1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000040502086 633817168 /nfs/dbraw/zinc/81/71/68/633817168.db2.gz ZTEWUCKJKZVXMX-OAHLLOKOSA-N 1 0 232.371 2.303 10 0 BEAERO CCOC[C@@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309899006 633913174 /nfs/dbraw/zinc/91/31/74/633913174.db2.gz GWTVGVCUUFBTKA-ZWNOBZJWSA-N 1 0 222.332 2.407 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000309459640 633923066 /nfs/dbraw/zinc/92/30/66/633923066.db2.gz NMNZZFMMSCQPLF-RYUDHWBXSA-N 1 0 227.348 2.308 10 0 BEAERO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H](C)O ZINC000309942746 633967599 /nfs/dbraw/zinc/96/75/99/633967599.db2.gz CDDWXJLZFYLSPQ-BDAKNGLRSA-N 1 0 242.388 2.300 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000309957721 633980781 /nfs/dbraw/zinc/98/07/81/633980781.db2.gz JIBHICOORVZLJN-QWRGUYRKSA-N 1 0 219.328 2.423 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2cccc(F)c2F)n1 ZINC000054214943 636146263 /nfs/dbraw/zinc/14/62/63/636146263.db2.gz DLCGWOCNMWBKOA-LURJTMIESA-N 1 0 239.225 2.077 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CC[C@@H](C(=O)OC)C1)C(C)C ZINC000309998413 634060088 /nfs/dbraw/zinc/06/00/88/634060088.db2.gz CXUIXKLKBCJQPM-UTUOFQBUSA-N 1 0 227.348 2.352 10 0 BEAERO COC1CC([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000309985252 634060209 /nfs/dbraw/zinc/06/02/09/634060209.db2.gz XYZCWDKWKKXKPF-UHFFFAOYSA-N 1 0 227.348 2.100 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cocn1 ZINC000397988150 634235224 /nfs/dbraw/zinc/23/52/24/634235224.db2.gz NIGJCTXXQZFVAJ-KGLIPLIRSA-N 1 0 249.358 2.123 10 0 BEAERO c1csc(C[NH2+]CCOC2CCOCC2)c1 ZINC000053590850 634256319 /nfs/dbraw/zinc/25/63/19/634256319.db2.gz XUBSVKCSFNIYOY-UHFFFAOYSA-N 1 0 241.356 2.033 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]CCOC2CCOCC2)C1 ZINC000053590981 634256387 /nfs/dbraw/zinc/25/63/87/634256387.db2.gz YSRJSHQHIBBUGI-QWHCGFSZSA-N 1 0 241.375 2.350 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000336751947 635257613 /nfs/dbraw/zinc/25/76/13/635257613.db2.gz CQSNWPKWGNYUDK-AUZPSNTRSA-N 1 0 219.328 2.149 10 0 BEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)[C@H](C)O ZINC000336753851 635287203 /nfs/dbraw/zinc/28/72/03/635287203.db2.gz HVZZTPUOBOBHLP-QNWHQSFQSA-N 1 0 211.349 2.338 10 0 BEAERO COC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000054026429 635326422 /nfs/dbraw/zinc/32/64/22/635326422.db2.gz BQXSYTGCCVGGBS-UHFFFAOYSA-N 1 0 227.348 2.103 10 0 BEAERO COc1cc(-c2nc([C@@H](C)C[NH3+])no2)ccc1C ZINC000054158681 635774609 /nfs/dbraw/zinc/77/46/09/635774609.db2.gz JRNQXKAHWDATRD-VIFPVBQESA-N 1 0 247.298 2.116 10 0 BEAERO COc1cc(-c2nc([C@H](C)C[NH3+])no2)ccc1C ZINC000054158682 635774988 /nfs/dbraw/zinc/77/49/88/635774988.db2.gz JRNQXKAHWDATRD-SECBINFHSA-N 1 0 247.298 2.116 10 0 BEAERO CCc1ccc(-c2nc([C@@H](C)C[NH3+])no2)s1 ZINC000054158957 635775298 /nfs/dbraw/zinc/77/52/98/635775298.db2.gz MDTOTQXQNSZPBQ-ZETCQYMHSA-N 1 0 237.328 2.423 10 0 BEAERO Cc1ccc2cc(C[NH2+][C@@H](C)[C@H](C)O)ccc2n1 ZINC000342184661 636328454 /nfs/dbraw/zinc/32/84/54/636328454.db2.gz CUQFZUDSPDDJEL-RYUDHWBXSA-N 1 0 244.338 2.402 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCCCCCC1 ZINC000054290594 636339292 /nfs/dbraw/zinc/33/92/92/636339292.db2.gz HNGUWXZVVWQTIA-CYBMUJFWSA-N 1 0 238.375 2.169 10 0 BEAERO COC(OC)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000079585279 636443926 /nfs/dbraw/zinc/44/39/26/636443926.db2.gz JSQSUKBDHORZCA-GWCFXTLKSA-N 1 0 235.327 2.271 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2nccs2)C[C@H](C)O1 ZINC000393742020 636548796 /nfs/dbraw/zinc/54/87/96/636548796.db2.gz FYXDCCKZCYBTAE-JGPRNRPPSA-N 1 0 240.372 2.436 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C(OC)OC)[C@H]1C[C@@H]1C ZINC000321483015 636649078 /nfs/dbraw/zinc/64/90/78/636649078.db2.gz JEAHSWHBSKQVBC-VLEAKVRGSA-N 1 0 215.337 2.018 10 0 BEAERO CC(C)C[C@H](CO)[NH2+]CCc1ccccc1 ZINC000040773367 636939802 /nfs/dbraw/zinc/93/98/02/636939802.db2.gz KUNRNCAYWFRPBO-CQSZACIVSA-N 1 0 221.344 2.226 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]C1CCN(OCC)CC1 ZINC000323505500 637003874 /nfs/dbraw/zinc/00/38/74/637003874.db2.gz PHKGBCCZSHJUBK-WCQYABFASA-N 1 0 226.364 2.181 10 0 BEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054598565 637035147 /nfs/dbraw/zinc/03/51/47/637035147.db2.gz BMTWWQFGWVKKTF-WCQYABFASA-N 1 0 223.291 2.165 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CN(C)Cc1ccccc1F ZINC000111273259 637097368 /nfs/dbraw/zinc/09/73/68/637097368.db2.gz HTIWBZROMRSJCR-YPMHNXCESA-N 1 0 236.334 2.113 10 0 BEAERO CN(CCC[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000042437094 637246520 /nfs/dbraw/zinc/24/65/20/637246520.db2.gz QYEAWKIIYCYICK-UHFFFAOYSA-N 1 0 236.334 2.400 10 0 BEAERO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000722618876 711455845 /nfs/dbraw/zinc/45/58/45/711455845.db2.gz WWQRALCIKUAKAX-ZJUUUORDSA-N 1 0 233.302 2.125 10 0 BEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)[C@@H](C)O ZINC000348334082 639051782 /nfs/dbraw/zinc/05/17/82/639051782.db2.gz ZZULCZPYIMIONN-HFAKWTLXSA-N 1 0 249.354 2.432 10 0 BEAERO CCCC[NH2+][C@H](CC(C)C)CN(C)C ZINC000037167284 711466501 /nfs/dbraw/zinc/46/65/01/711466501.db2.gz ZQHCNSWFCHIBFH-GFCCVEGCSA-N 1 0 200.370 2.352 10 0 BEAERO C[C@@H](NC(=O)Nc1ccccc1)C1CC[NH2+]CC1 ZINC000035691069 639835156 /nfs/dbraw/zinc/83/51/56/639835156.db2.gz BGDWVBMMWGJKQR-LLVKDONJSA-N 1 0 247.342 2.196 10 0 BEAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000044290803 640172687 /nfs/dbraw/zinc/17/26/87/640172687.db2.gz OLCYAPKSFCFVRF-NSHDSACASA-N 1 0 234.343 2.036 10 0 BEAERO CC(C)C[C@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698749 640303372 /nfs/dbraw/zinc/30/33/72/640303372.db2.gz VHYODLYUGMVTEU-VIFPVBQESA-N 1 0 224.352 2.159 10 0 BEAERO CC(C)[C@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699203 640321628 /nfs/dbraw/zinc/32/16/28/640321628.db2.gz DEVYYIPOIRQPQE-JTQLQIEISA-N 1 0 222.336 2.129 10 0 BEAERO CC(C)[C@@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699204 640321905 /nfs/dbraw/zinc/32/19/05/640321905.db2.gz DEVYYIPOIRQPQE-SNVBAGLBSA-N 1 0 222.336 2.129 10 0 BEAERO C[C@H](c1nc(C[C@H]2CCC[NH2+]C2)no1)C1CC1 ZINC000164053421 640439806 /nfs/dbraw/zinc/43/98/06/640439806.db2.gz VJTBBSLQXSUBKM-VHSXEESVSA-N 1 0 235.331 2.125 10 0 BEAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000044649590 640446660 /nfs/dbraw/zinc/44/66/60/640446660.db2.gz WGZOLJAXIVTFFD-LBPRGKRZSA-N 1 0 234.343 2.090 10 0 BEAERO C[NH2+]C1CCN([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000044677410 640452748 /nfs/dbraw/zinc/45/27/48/640452748.db2.gz CEFMBDBBIOFTRZ-GJZGRUSLSA-N 1 0 230.355 2.226 10 0 BEAERO C[NH2+]C1CCN([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000044677408 640453368 /nfs/dbraw/zinc/45/33/68/640453368.db2.gz CEFMBDBBIOFTRZ-CABCVRRESA-N 1 0 230.355 2.226 10 0 BEAERO CCCCCCc1nc([C@@H](C)C[NH3+])no1 ZINC000164198035 640457797 /nfs/dbraw/zinc/45/77/97/640457797.db2.gz MLQDMZACQWDEDW-VIFPVBQESA-N 1 0 211.309 2.255 10 0 BEAERO C[C@H]1CN(c2nc(Cl)cs2)C[C@@H]1[NH+](C)C ZINC000165223878 640550742 /nfs/dbraw/zinc/55/07/42/640550742.db2.gz VBXAELDTCSCWFU-YUMQZZPRSA-N 1 0 245.779 2.183 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC1CC1 ZINC000157117968 640572593 /nfs/dbraw/zinc/57/25/93/640572593.db2.gz WFXQHBJPFIBXPL-GXTWGEPZSA-N 1 0 222.376 2.345 10 0 BEAERO CCC[NH2+][C@@H](C)c1nc([C@@H](OC)C2CC2)no1 ZINC000157228706 640640568 /nfs/dbraw/zinc/64/05/68/640640568.db2.gz NQNPJRXNJSBLRH-WPRPVWTQSA-N 1 0 239.319 2.228 10 0 BEAERO Cc1cc(N(C)CC2CCCCC2)nc(N)[nH+]1 ZINC000045726011 640654176 /nfs/dbraw/zinc/65/41/76/640654176.db2.gz LZRIVGHVHSUETF-UHFFFAOYSA-N 1 0 234.347 2.384 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(C)c1C ZINC000166603963 640655806 /nfs/dbraw/zinc/65/58/06/640655806.db2.gz CSEUSRWJVWCMKL-ZIAGYGMSSA-N 1 0 247.338 2.170 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698700 640711322 /nfs/dbraw/zinc/71/13/22/640711322.db2.gz ABDNFRBMZPXXPK-RKDXNWHRSA-N 1 0 224.352 2.159 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000226379597 640758143 /nfs/dbraw/zinc/75/81/43/640758143.db2.gz WADUNIISEMUTBE-RNJOBUHISA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCc2cccnc21)[C@@H]1CCCO1 ZINC000226802953 640798735 /nfs/dbraw/zinc/79/87/35/640798735.db2.gz YTLRHYWYSHSMAD-UHTWSYAYSA-N 1 0 232.327 2.226 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]CC12C[C@H](C)C[C@@H](C)C2 ZINC000229221873 640934122 /nfs/dbraw/zinc/93/41/22/640934122.db2.gz RRFIMJOKXXIULI-UTUOFQBUSA-N 1 0 239.359 2.211 10 0 BEAERO C[C@H]([NH2+]Cc1cncnc1)c1ccsc1 ZINC000061361761 640956111 /nfs/dbraw/zinc/95/61/11/640956111.db2.gz YNINWLQMKRFSCC-VIFPVBQESA-N 1 0 219.313 2.389 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc([C@@H]2CCCS2)no1 ZINC000087717074 640990824 /nfs/dbraw/zinc/99/08/24/640990824.db2.gz XDGKUZADTBRZIM-BDAKNGLRSA-N 1 0 241.360 2.164 10 0 BEAERO Cc1ccccc1[C@@H](O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061932734 641008622 /nfs/dbraw/zinc/00/86/22/641008622.db2.gz IYWRVDXLOVGRMR-HIFRSBDPSA-N 1 0 249.354 2.139 10 0 BEAERO c1cc(C[NH2+]C[C@H]2COc3ccccc3O2)co1 ZINC000062103352 641019572 /nfs/dbraw/zinc/01/95/72/641019572.db2.gz IWSUJPSATYKYCO-LBPRGKRZSA-N 1 0 245.278 2.209 10 0 BEAERO CC(C)COCCC[NH2+]Cc1ccoc1 ZINC000062103475 641020952 /nfs/dbraw/zinc/02/09/52/641020952.db2.gz YKWSRJBQAKXJQS-UHFFFAOYSA-N 1 0 211.305 2.432 10 0 BEAERO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccoc1 ZINC000062103598 641021476 /nfs/dbraw/zinc/02/14/76/641021476.db2.gz JSWJWRPOKAGVJP-LBPRGKRZSA-N 1 0 222.332 2.244 10 0 BEAERO CC(C)C[C@H](CNCc1ccoc1)[NH+](C)C ZINC000062103579 641021940 /nfs/dbraw/zinc/02/19/40/641021940.db2.gz KQVVNSXPOMVCEM-CYBMUJFWSA-N 1 0 224.348 2.346 10 0 BEAERO CC[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)C(C)C ZINC000230211638 641037936 /nfs/dbraw/zinc/03/79/36/641037936.db2.gz YVKUDOCYOLKQGT-WDEREUQCSA-N 1 0 215.337 2.162 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCCCCCO)o1 ZINC000230645568 641076172 /nfs/dbraw/zinc/07/61/72/641076172.db2.gz ONTCXPYGQRBEFK-LLVKDONJSA-N 1 0 226.320 2.186 10 0 BEAERO COC[C@@H](C)C[NH2+][C@@H](C)Cc1ccco1 ZINC000062772077 641089636 /nfs/dbraw/zinc/08/96/36/641089636.db2.gz OYOMYPRYVUICGO-QWRGUYRKSA-N 1 0 211.305 2.083 10 0 BEAERO CCC(C)(C)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084431 641127426 /nfs/dbraw/zinc/12/74/26/641127426.db2.gz CYRSHODBQKTHEF-SNVBAGLBSA-N 1 0 237.347 2.299 10 0 BEAERO [NH3+]CC[C@@H]1CN(C[C@@H]2CCCO2)c2ccccc21 ZINC000063128801 641138892 /nfs/dbraw/zinc/13/88/92/641138892.db2.gz OTRZTYLMGUMAKT-OLZOCXBDSA-N 1 0 246.354 2.118 10 0 BEAERO [NH3+][C@H]1CCc2nc(-c3cncs3)sc2C1 ZINC000075964203 641146584 /nfs/dbraw/zinc/14/65/84/641146584.db2.gz RCQFNMKFORAUBS-LURJTMIESA-N 1 0 237.353 2.083 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000231294287 641157878 /nfs/dbraw/zinc/15/78/78/641157878.db2.gz OGYLCQFFOPIRQG-BFHYXJOUSA-N 1 0 246.354 2.210 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=[NH2+])NC1CCCC1 ZINC000231676260 641195026 /nfs/dbraw/zinc/19/50/26/641195026.db2.gz WNULOFOQPNGEFS-KOLCDFICSA-N 1 0 209.337 2.232 10 0 BEAERO c1ccc(CC[NH2+]CCOCC2CC2)cc1 ZINC000232008339 641227516 /nfs/dbraw/zinc/22/75/16/641227516.db2.gz CAZAIDKQUDNWHJ-UHFFFAOYSA-N 1 0 219.328 2.245 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000152443516 641576499 /nfs/dbraw/zinc/57/64/99/641576499.db2.gz SAZLBCGTMJYDCO-UPJWGTAASA-N 1 0 242.432 2.200 10 0 BEAERO CC[N@H+](CCOC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000044173057 641589153 /nfs/dbraw/zinc/58/91/53/641589153.db2.gz OPEJPMSBYDMHAN-JSGCOSHPSA-N 1 0 237.343 2.077 10 0 BEAERO CC1CCN(C(=O)[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089385501 641673878 /nfs/dbraw/zinc/67/38/78/641673878.db2.gz JCHKEHIYZYCIHN-OLZOCXBDSA-N 1 0 238.375 2.010 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)N1CCCCCC1 ZINC000089385539 641673987 /nfs/dbraw/zinc/67/39/87/641673987.db2.gz XUNLQTVGGHQNGE-CHWSQXEVSA-N 1 0 238.375 2.154 10 0 BEAERO C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089385514 641674952 /nfs/dbraw/zinc/67/49/52/641674952.db2.gz XLGZMUKWXKZXEM-UPJWGTAASA-N 1 0 238.375 2.153 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ccoc2)no1 ZINC000089431334 641733165 /nfs/dbraw/zinc/73/31/65/641733165.db2.gz KPVNULCEJSDTAD-PSASIEDQSA-N 1 0 233.271 2.172 10 0 BEAERO CCC(CC)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000227538667 641733706 /nfs/dbraw/zinc/73/37/06/641733706.db2.gz XJBZXXGUBZZEGR-PWSUYJOCSA-N 1 0 227.348 2.164 10 0 BEAERO COc1ccccc1[C@H](O)C[NH2+]Cc1ccco1 ZINC000032102846 641741192 /nfs/dbraw/zinc/74/11/92/641741192.db2.gz ZHNBFXJOBFXKDY-CYBMUJFWSA-N 1 0 247.294 2.111 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCc1cccs1 ZINC000077364869 641848971 /nfs/dbraw/zinc/84/89/71/641848971.db2.gz WTQKWVOPFKSKOV-GHMZBOCLSA-N 1 0 225.357 2.400 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C=C1CCC1 ZINC000154661110 642178526 /nfs/dbraw/zinc/17/85/26/642178526.db2.gz QISJDODASPIPMF-ZDUSSCGKSA-N 1 0 236.359 2.039 10 0 BEAERO C[C@@H]1C[C@H](C(F)(F)F)Nc2[nH+]ccn21 ZINC000235307383 642431278 /nfs/dbraw/zinc/43/12/78/642431278.db2.gz SJMNUMNAEJSRIU-PHDIDXHHSA-N 1 0 205.183 2.191 10 0 BEAERO CC(C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000306365935 642741865 /nfs/dbraw/zinc/74/18/65/642741865.db2.gz JIXPGXYALQOZQK-JTQLQIEISA-N 1 0 230.352 2.240 10 0 BEAERO CC(C)[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1C[C@H]1C ZINC000242339185 642935053 /nfs/dbraw/zinc/93/50/53/642935053.db2.gz ZFRCSZDMWCFDTD-KXUCPTDWSA-N 1 0 239.281 2.276 10 0 BEAERO CCO[C@H]1CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000114729443 642960761 /nfs/dbraw/zinc/96/07/61/642960761.db2.gz CNPZKWLEJJZLEU-ZDUSSCGKSA-N 1 0 241.375 2.183 10 0 BEAERO C[N@H+](CCc1ccccn1)CC1(O)CCCCC1 ZINC000114728095 642963834 /nfs/dbraw/zinc/96/38/34/642963834.db2.gz MRUZDVOWRKXXHJ-UHFFFAOYSA-N 1 0 248.370 2.251 10 0 BEAERO C[C@H]([NH2+]CCCCCCCO)[C@H]1CCCO1 ZINC000183198254 643095106 /nfs/dbraw/zinc/09/51/06/643095106.db2.gz ZHFKYYWYUYNBEI-QWHCGFSZSA-N 1 0 229.364 2.086 10 0 BEAERO C[C@@H]([NH2+]C[Si](C)(C)C)[C@H]1CCCO1 ZINC000183197514 643095489 /nfs/dbraw/zinc/09/54/89/643095489.db2.gz UMARNUDSFIXOGT-NXEZZACHSA-N 1 0 201.386 2.021 10 0 BEAERO CCN(c1nc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000071314124 643126119 /nfs/dbraw/zinc/12/61/19/643126119.db2.gz FUNZIHVAHNVRJX-SNVBAGLBSA-N 1 0 231.299 2.016 10 0 BEAERO O[C@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000071300094 643129400 /nfs/dbraw/zinc/12/94/00/643129400.db2.gz UQEGKKWHGMESDV-LSDHHAIUSA-N 1 0 231.339 2.425 10 0 BEAERO COc1ccccc1[C@@H](O)C[NH2+]C1CCCC1 ZINC000033465433 643137966 /nfs/dbraw/zinc/13/79/66/643137966.db2.gz VHOUZNUBWQYXSG-ZDUSSCGKSA-N 1 0 235.327 2.261 10 0 BEAERO Cc1ccncc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000071412947 643143661 /nfs/dbraw/zinc/14/36/61/643143661.db2.gz PTOWEASQUZFCKC-YHWZYXNKSA-N 1 0 231.343 2.427 10 0 BEAERO OCCCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000175748339 643162890 /nfs/dbraw/zinc/16/28/90/643162890.db2.gz HTXUYADBLZXVCY-KBPBESRZSA-N 1 0 241.375 2.183 10 0 BEAERO C1CCC2(CC1)C[NH2+][C@@]1(CCCOCC1)OC2 ZINC000757143483 643307526 /nfs/dbraw/zinc/30/75/26/643307526.db2.gz DCNSSWDWWQSUMX-AWEZNQCLSA-N 1 0 239.359 2.454 10 0 BEAERO CC[C@H](C)c1noc(C[NH2+]CC2CC2)n1 ZINC000082561193 643343764 /nfs/dbraw/zinc/34/37/64/643343764.db2.gz LQXKLTAPAINEAW-QMMMGPOBSA-N 1 0 209.293 2.083 10 0 BEAERO CC(C)(C)Cc1noc(C[NH2+]CC2CC2)n1 ZINC000082673304 643365664 /nfs/dbraw/zinc/36/56/64/643365664.db2.gz KURXXEJKGIMJOB-UHFFFAOYSA-N 1 0 223.320 2.158 10 0 BEAERO CCOC(=O)[C@H]1CCC[NH2+][C@@H]1c1ccsc1 ZINC000757211039 643370102 /nfs/dbraw/zinc/37/01/02/643370102.db2.gz FRMOFKRCLOPVPK-WDEREUQCSA-N 1 0 239.340 2.352 10 0 BEAERO C1CCC(c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000082813776 643384371 /nfs/dbraw/zinc/38/43/71/643384371.db2.gz LJLGYANRGPKSDF-UHFFFAOYSA-N 1 0 205.305 2.103 10 0 BEAERO CC(C)[C@H](C)[C@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000307274178 643425731 /nfs/dbraw/zinc/42/57/31/643425731.db2.gz MJFPHLGXBDGXKH-UWVGGRQHSA-N 1 0 230.352 2.131 10 0 BEAERO CC[NH+](CC)C[C@@H](O)c1cc(F)ccc1F ZINC000049821365 643464024 /nfs/dbraw/zinc/46/40/24/643464024.db2.gz NPKPLSJYFIOJDP-GFCCVEGCSA-N 1 0 229.270 2.340 10 0 BEAERO Cc1ccc(-c2cnn(CC[NH3+])c2)c(C)c1 ZINC000049815881 643464455 /nfs/dbraw/zinc/46/44/55/643464455.db2.gz GCSQAIDCHVFBEJ-UHFFFAOYSA-N 1 0 215.300 2.126 10 0 BEAERO Cc1ccc(-c2ccc(=O)n(CC[NH3+])c2)c(C)c1 ZINC000049831018 643472647 /nfs/dbraw/zinc/47/26/47/643472647.db2.gz NFQXJKPGRZOZBZ-UHFFFAOYSA-N 1 0 242.322 2.091 10 0 BEAERO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2OC)c1 ZINC000049949000 643564534 /nfs/dbraw/zinc/56/45/34/643564534.db2.gz MEOOIAARTOASMB-KGLIPLIRSA-N 1 0 235.327 2.352 10 0 BEAERO CCN(CCC[NH2+]C)c1ccc(C)cc1 ZINC000049988485 643574857 /nfs/dbraw/zinc/57/48/57/643574857.db2.gz FZRCULYOMOSGFT-UHFFFAOYSA-N 1 0 206.333 2.431 10 0 BEAERO CCCCN(C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301398 643657725 /nfs/dbraw/zinc/65/77/25/643657725.db2.gz CNJVABMVRQRPJC-NEPJUHHUSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050269095 643673386 /nfs/dbraw/zinc/67/33/86/643673386.db2.gz BOEVCUFPFMFZNW-KGLIPLIRSA-N 1 0 240.391 2.245 10 0 BEAERO CC[C@H](C)c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000085007949 643677567 /nfs/dbraw/zinc/67/75/67/643677567.db2.gz MOSNGIGBCZLLPI-CIUDSAMLSA-N 1 0 209.293 2.178 10 0 BEAERO CC(C)(C)Cc1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000085007955 643677871 /nfs/dbraw/zinc/67/78/71/643677871.db2.gz MPAJMPGWUFZQJM-RKDXNWHRSA-N 1 0 223.320 2.253 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000050369577 643690606 /nfs/dbraw/zinc/69/06/06/643690606.db2.gz NMPAIGINPQEUTH-DRZSPHRISA-N 1 0 220.316 2.300 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000050368578 643691621 /nfs/dbraw/zinc/69/16/21/643691621.db2.gz JAQJOHDPJHDRBP-RYUDHWBXSA-N 1 0 249.310 2.072 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000050372715 643692327 /nfs/dbraw/zinc/69/23/27/643692327.db2.gz IXXTXNOSZWPPDX-KGLIPLIRSA-N 1 0 235.327 2.223 10 0 BEAERO CCOC(=O)c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000095067856 643711012 /nfs/dbraw/zinc/71/10/12/643711012.db2.gz ARIPODSQBYGEAF-GFCCVEGCSA-N 1 0 219.284 2.288 10 0 BEAERO CC(C)[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000086145871 643927054 /nfs/dbraw/zinc/92/70/54/643927054.db2.gz VDOOBBKHKOHRJE-BZUAXINKSA-N 1 0 244.382 2.472 10 0 BEAERO C[C@H]1[NH2+]CC[C@H]1c1nc(CC(C)(C)C)no1 ZINC000086258847 643974916 /nfs/dbraw/zinc/97/49/16/643974916.db2.gz UQNYMIKIYNBBQX-RKDXNWHRSA-N 1 0 223.320 2.124 10 0 BEAERO CC[C@H](C)c1noc(CC2CC[NH2+]CC2)n1 ZINC000086573258 644151578 /nfs/dbraw/zinc/15/15/78/644151578.db2.gz KBEKRPIMQKYKAA-VIFPVBQESA-N 1 0 223.320 2.125 10 0 BEAERO CCN(c1ncc(Cl)cc1F)[C@@H]1CC[NH2+]C1 ZINC000086711229 644165498 /nfs/dbraw/zinc/16/54/98/644165498.db2.gz HILVBYXWQOMFOF-SECBINFHSA-N 1 0 243.713 2.062 10 0 BEAERO C[NH2+]CCc1noc(-c2cc(C)c(C)s2)n1 ZINC000083631932 644407215 /nfs/dbraw/zinc/40/72/15/644407215.db2.gz NCECBJJUOZFTGF-UHFFFAOYSA-N 1 0 237.328 2.177 10 0 BEAERO Brc1cc2c(o1)CCC[NH2+]C2 ZINC000084307454 644422715 /nfs/dbraw/zinc/42/27/15/644422715.db2.gz OZFQEKNJQJEZKK-UHFFFAOYSA-N 1 0 216.078 2.078 10 0 BEAERO CC[C@H](C)c1noc(-c2csc(C[NH3+])n2)n1 ZINC000085546486 644443272 /nfs/dbraw/zinc/44/32/72/644443272.db2.gz KLAZBCLQUWZJPD-LURJTMIESA-N 1 0 238.316 2.165 10 0 BEAERO [NH3+]C1CC(CNc2ccc(C(F)(F)F)cn2)C1 ZINC000091538271 644626861 /nfs/dbraw/zinc/62/68/61/644626861.db2.gz IJRWEZZQSJBIMU-UHFFFAOYSA-N 1 0 245.248 2.250 10 0 BEAERO [NH3+]C1CC(CNC(=O)CCC2CCCCC2)C1 ZINC000091525897 644629712 /nfs/dbraw/zinc/62/97/12/644629712.db2.gz REZXJDJOHGNQMR-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000094648054 644722934 /nfs/dbraw/zinc/72/29/34/644722934.db2.gz WDYQQCZPEIGFDN-GXTWGEPZSA-N 1 0 246.354 2.346 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000095638359 644759839 /nfs/dbraw/zinc/75/98/39/644759839.db2.gz QFHAUVSVQKHQCI-VIFPVBQESA-N 1 0 231.654 2.042 10 0 BEAERO C[NH2+][C@@H]1CCCN([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250737190 644777322 /nfs/dbraw/zinc/77/73/22/644777322.db2.gz LVUTYPCUDAFQQS-KFWWJZLASA-N 1 0 230.355 2.226 10 0 BEAERO C1[C@@H]2C[C@@H](c3nc([C@@H]4CCC[NH2+]C4)no3)C[C@H]12 ZINC000251022393 644790231 /nfs/dbraw/zinc/79/02/31/644790231.db2.gz FGHJNMNYPPUGTD-CHWFTXMASA-N 1 0 233.315 2.050 10 0 BEAERO CC(C)[C@@H]([NH3+])c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000251284609 644800955 /nfs/dbraw/zinc/80/09/55/644800955.db2.gz DZRQLGBMDHEOED-UTINFBMNSA-N 1 0 221.304 2.239 10 0 BEAERO C[C@H](C(N)=O)[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000251693878 644817430 /nfs/dbraw/zinc/81/74/30/644817430.db2.gz LTXQPVHWEQKVQY-RKDXNWHRSA-N 1 0 240.734 2.207 10 0 BEAERO Cc1ccc(N)cc1[C@H]1CC[NH2+][C@@H](C)C1 ZINC000757241691 644865231 /nfs/dbraw/zinc/86/52/31/644865231.db2.gz XUXAKVMLPPEHIS-QWRGUYRKSA-N 1 0 204.317 2.433 10 0 BEAERO [NH3+][C@H]1CC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000097067826 644868064 /nfs/dbraw/zinc/86/80/64/644868064.db2.gz JRFLKDIZCLXPNZ-ONGXEEELSA-N 1 0 247.273 2.471 10 0 BEAERO CC[C@H](C)c1noc([C@H]2CC[NH2+][C@H]2C)n1 ZINC000252599112 644868845 /nfs/dbraw/zinc/86/88/45/644868845.db2.gz KMBHDOSTHQFRRD-CIUDSAMLSA-N 1 0 209.293 2.049 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)C(C)C)[C@H]1OC ZINC000252792846 644906563 /nfs/dbraw/zinc/90/65/63/644906563.db2.gz WEKTVDBJSQGAHI-YVECIDJPSA-N 1 0 229.364 2.203 10 0 BEAERO C[C@@H]([NH2+]Cc1cccnc1Cl)[C@@H]1CCCO1 ZINC000105418369 645314869 /nfs/dbraw/zinc/31/48/69/645314869.db2.gz HRZVXAPWEZFSCN-KOLCDFICSA-N 1 0 240.734 2.392 10 0 BEAERO [NH3+]C[C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000132070102 645852372 /nfs/dbraw/zinc/85/23/72/645852372.db2.gz OZRSYLXVWUBSHC-LBPRGKRZSA-N 1 0 241.338 2.410 10 0 BEAERO CC[N@H+](CCSC(F)(F)F)CC(C)(C)O ZINC000123708906 645920853 /nfs/dbraw/zinc/92/08/53/645920853.db2.gz ZNYFNABDDWMFQX-UHFFFAOYSA-N 1 0 245.310 2.332 10 0 BEAERO COC[C@H]([NH2+]Cc1ncc(C)cc1C)C1CC1 ZINC000724043111 711557297 /nfs/dbraw/zinc/55/72/97/711557297.db2.gz LBACLYLPOVJBBS-AWEZNQCLSA-N 1 0 234.343 2.213 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC[S@](=O)CC ZINC000309197793 711595396 /nfs/dbraw/zinc/59/53/96/711595396.db2.gz QUDYGSBCPBOIJX-LALPHHSUSA-N 1 0 231.405 2.313 10 0 BEAERO [NH3+]C1(CNc2ncc(Cl)cc2Cl)CC1 ZINC000725696740 711674162 /nfs/dbraw/zinc/67/41/62/711674162.db2.gz ABVOTJZFVBXIJL-UHFFFAOYSA-N 1 0 232.114 2.292 10 0 BEAERO Cc1c(C[NH2+]C[C@@]2(C)CC2(C)C)cnn1C ZINC000701983275 712034284 /nfs/dbraw/zinc/03/42/84/712034284.db2.gz HEPFTTADOBUJDF-CYBMUJFWSA-N 1 0 221.348 2.254 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000378872212 712365410 /nfs/dbraw/zinc/36/54/10/712365410.db2.gz QOTWFJXFZPZJRK-MRVPVSSYSA-N 1 0 215.728 2.208 10 0 BEAERO CC(C)[C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000712989015 712450721 /nfs/dbraw/zinc/45/07/21/712450721.db2.gz JUIAOIFMDVFRPP-MNOVXSKESA-N 1 0 228.380 2.157 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000713951975 712474802 /nfs/dbraw/zinc/47/48/02/712474802.db2.gz FCWBGIIJYAVPHU-JBLZRFIASA-N 1 0 238.306 2.296 10 0 BEAERO CCO[C@H]1C[C@@H]([NH2+]C2CC(COC)C2)C1(C)C ZINC000713959529 712475012 /nfs/dbraw/zinc/47/50/12/712475012.db2.gz MUVYCWPPYOQAAG-TUUUFIMRSA-N 1 0 241.375 2.205 10 0 BEAERO COCC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000713973282 712475454 /nfs/dbraw/zinc/47/54/54/712475454.db2.gz YZGKAOQQQFNXCQ-DZAOSMCZSA-N 1 0 241.400 2.428 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@@H]2CCCC[C@H]2C)n1 ZINC000714450065 712490026 /nfs/dbraw/zinc/49/00/26/712490026.db2.gz PAWFSWGPLQGZIC-OPRDCNLKSA-N 1 0 223.320 2.426 10 0 BEAERO CCCCCC[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716771642 712572935 /nfs/dbraw/zinc/57/29/35/712572935.db2.gz XCEZSTQHZIYBJB-VOMCLLRMSA-N 1 0 226.364 2.199 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717274566 712641798 /nfs/dbraw/zinc/64/17/98/712641798.db2.gz QUDGFFVDMHNYRF-RYUDHWBXSA-N 1 0 243.391 2.188 10 0 BEAERO CC[C@@H]([NH2+]CC1(C)OCCO1)C(C)(C)C ZINC000379978346 712643689 /nfs/dbraw/zinc/64/36/89/712643689.db2.gz FYAURNXRJZOUBC-SNVBAGLBSA-N 1 0 215.337 2.164 10 0 BEAERO c1cc2c(s1)CCN(CCC[NH2+]C1CC1)C2 ZINC000037478493 712648370 /nfs/dbraw/zinc/64/83/70/712648370.db2.gz AICSPBPXGAAZMO-UHFFFAOYSA-N 1 0 236.384 2.248 10 0 BEAERO CCCC[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000037485259 712650755 /nfs/dbraw/zinc/65/07/55/712650755.db2.gz QUXYAHBJLZYVFD-JTQLQIEISA-N 1 0 238.297 2.260 10 0 BEAERO CC(F)(F)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000718669599 712777057 /nfs/dbraw/zinc/77/70/57/712777057.db2.gz DTRSTDVPIIPGQT-SNVBAGLBSA-N 1 0 221.291 2.126 10 0 BEAERO COC1CC([NH2+][C@H]2CCC[C@@H](OC)CC2)C1 ZINC000718855894 712785998 /nfs/dbraw/zinc/78/59/98/712785998.db2.gz AFQOTKBIPXNWAG-GMKTYKIGSA-N 1 0 227.348 2.101 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000718861855 712786584 /nfs/dbraw/zinc/78/65/84/712786584.db2.gz TWLMSKISEPGSFG-YVECIDJPSA-N 1 0 227.348 2.101 10 0 BEAERO CNC(=O)C[C@H](C)[NH2+][C@H]1CCCCCC1(C)C ZINC000719191407 712799657 /nfs/dbraw/zinc/79/96/57/712799657.db2.gz SQDBGJHBLPRWMG-RYUDHWBXSA-N 1 0 240.391 2.460 10 0 BEAERO [NH3+]CC12CCC(CC1)N2c1nc2ccccc2o1 ZINC000722985564 710723920 /nfs/dbraw/zinc/72/39/20/710723920.db2.gz FQFNZYQNRHRLCP-UHFFFAOYSA-N 1 0 243.310 2.288 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncccc1Cl ZINC000723811074 710733065 /nfs/dbraw/zinc/73/30/65/710733065.db2.gz QQBJDZSHJUAHJS-BDAKNGLRSA-N 1 0 225.723 2.002 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2cccc(Cl)n2)C1 ZINC000724075962 710736314 /nfs/dbraw/zinc/73/63/14/710736314.db2.gz RYRKTTKITNNTDV-BDAKNGLRSA-N 1 0 225.723 2.274 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000715152509 711476639 /nfs/dbraw/zinc/47/66/39/711476639.db2.gz UQTCSOVABQLTGZ-LERXQTSPSA-N 1 0 246.354 2.021 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000037148542 711480532 /nfs/dbraw/zinc/48/05/32/711480532.db2.gz MHYANPWCTJRESC-MNOVXSKESA-N 1 0 236.363 2.311 10 0 BEAERO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000134290167 711498314 /nfs/dbraw/zinc/49/83/14/711498314.db2.gz IYTZMLJZRSCLNN-JOYOIKCWSA-N 1 0 237.347 2.036 10 0 BEAERO C[C@@H]1C[C@H](C[N@@H+]2C[C@H](O)CC[C@H]2C)C[C@H](C)O1 ZINC000724397884 711578131 /nfs/dbraw/zinc/57/81/31/711578131.db2.gz UISFISUVDPWXAC-PEBLQZBPSA-N 1 0 241.375 2.035 10 0 BEAERO COC(=O)[C@@H]1CCC[N@H+](CCCC(C)(F)F)C1 ZINC000718583089 711662080 /nfs/dbraw/zinc/66/20/80/711662080.db2.gz DOXQURQVRWLYPJ-SNVBAGLBSA-N 1 0 249.301 2.307 10 0 BEAERO CCCCCC[C@@H](O)C[NH2+]C(C)(C)COC ZINC000309705326 711662567 /nfs/dbraw/zinc/66/25/67/711662567.db2.gz OGWSXVZJOMSIOH-GFCCVEGCSA-N 1 0 231.380 2.332 10 0 BEAERO CC1(C)C[C@H]1c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000225430444 711756454 /nfs/dbraw/zinc/75/64/54/711756454.db2.gz UERJOJFKBLTWDY-ZJUUUORDSA-N 1 0 235.331 2.125 10 0 BEAERO CC1(C)C[C@H]1c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000225430359 711756501 /nfs/dbraw/zinc/75/65/01/711756501.db2.gz UERJOJFKBLTWDY-UWVGGRQHSA-N 1 0 235.331 2.125 10 0 BEAERO Cc1ccc(Cc2nc([C@H](C)C[NH3+])no2)cc1C ZINC000054158526 711766148 /nfs/dbraw/zinc/76/61/48/711766148.db2.gz MNJOOWSKYBPLEB-LLVKDONJSA-N 1 0 245.326 2.339 10 0 BEAERO Cc1cccc(CCc2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158490 711766196 /nfs/dbraw/zinc/76/61/96/711766196.db2.gz YJVCJDPXZVHHNG-LLVKDONJSA-N 1 0 245.326 2.225 10 0 BEAERO Cc1cccc(Cc2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158529 711766218 /nfs/dbraw/zinc/76/62/18/711766218.db2.gz HCGTXEVZADBJPJ-JTQLQIEISA-N 1 0 231.299 2.031 10 0 BEAERO CSc1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000211101757 711767571 /nfs/dbraw/zinc/76/75/71/711767571.db2.gz KIKQHFKKHBCULZ-UHFFFAOYSA-N 1 0 233.340 2.268 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2ccccn2)no1 ZINC000132143310 711955882 /nfs/dbraw/zinc/95/58/82/711955882.db2.gz JNAJQTQQAIZMAQ-SNVBAGLBSA-N 1 0 246.314 2.048 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cncc(OC)c1 ZINC000700010234 711983036 /nfs/dbraw/zinc/98/30/36/711983036.db2.gz CAZXPXMTYCYJPZ-WCQYABFASA-N 1 0 220.316 2.368 10 0 BEAERO C(C1CC2(CCC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000700873030 712009718 /nfs/dbraw/zinc/00/97/18/712009718.db2.gz YVZFGTXIHOEOLC-AWEZNQCLSA-N 1 0 234.387 2.347 10 0 BEAERO CC1(O)CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000705733522 712135790 /nfs/dbraw/zinc/13/57/90/712135790.db2.gz PDSBNEQPTYNNJO-QRJNDHJOSA-N 1 0 247.338 2.403 10 0 BEAERO CC1CC(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000705728738 712135810 /nfs/dbraw/zinc/13/58/10/712135810.db2.gz HROZKHCISSRWIP-FDIUBAFMSA-N 1 0 244.338 2.486 10 0 BEAERO CC1(O)CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000705733519 712135846 /nfs/dbraw/zinc/13/58/46/712135846.db2.gz PDSBNEQPTYNNJO-GLWUULTISA-N 1 0 247.338 2.403 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@H]2CCCC23CC3)n1 ZINC000706284280 712143685 /nfs/dbraw/zinc/14/36/85/712143685.db2.gz LRGWHVAQTTZZDT-RKDXNWHRSA-N 1 0 221.304 2.180 10 0 BEAERO CC(C)C[C@@H](CO)[NH2+][C@H]1CCCC12CC2 ZINC000706613758 712151326 /nfs/dbraw/zinc/15/13/26/712151326.db2.gz HCLPOHIAKMTXHF-RYUDHWBXSA-N 1 0 211.349 2.316 10 0 BEAERO CSC1CC([NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000706813766 712156473 /nfs/dbraw/zinc/15/64/73/712156473.db2.gz DVKSJEBJSPQCDZ-QLEHZGMVSA-N 1 0 217.403 2.364 10 0 BEAERO CSC1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000706878791 712157581 /nfs/dbraw/zinc/15/75/81/712157581.db2.gz QVBVJFHDQOPNFZ-YVNMAJEFSA-N 1 0 215.362 2.039 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]C1CC(SC)C1 ZINC000706879419 712157635 /nfs/dbraw/zinc/15/76/35/712157635.db2.gz SYSDHLYNDRUTSQ-LXKPXOPUSA-N 1 0 215.362 2.038 10 0 BEAERO CSC1CC([NH2+]Cc2ccncc2)C1 ZINC000706879537 712157716 /nfs/dbraw/zinc/15/77/16/712157716.db2.gz XEINBWJDHNWFSY-UHFFFAOYSA-N 1 0 208.330 2.065 10 0 BEAERO CSC1CC([NH2+][C@H]2CCCC[C@H]2CO)C1 ZINC000706927179 712161557 /nfs/dbraw/zinc/16/15/57/712161557.db2.gz INEIAFCOKRECFV-XKGSQUFQSA-N 1 0 229.389 2.021 10 0 BEAERO CSC1CC([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000708269952 712184636 /nfs/dbraw/zinc/18/46/36/712184636.db2.gz PKIHILUZLHPZSY-OTTFEQOBSA-N 1 0 243.416 2.411 10 0 BEAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000708711095 712197544 /nfs/dbraw/zinc/19/75/44/712197544.db2.gz FUVONPOWVHURRM-WDMOLILDSA-N 1 0 247.338 2.394 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708975152 712204027 /nfs/dbraw/zinc/20/40/27/712204027.db2.gz MGYJVMCYDKQNDS-UWVGGRQHSA-N 1 0 239.281 2.422 10 0 BEAERO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CCCC1 ZINC000710948609 712267185 /nfs/dbraw/zinc/26/71/85/712267185.db2.gz LEFMPTHQCONEAI-RAIGVLPGSA-N 1 0 238.375 2.199 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711007192 712274437 /nfs/dbraw/zinc/27/44/37/712274437.db2.gz FCIHDBDYFLAJBW-CRWXNKLISA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@](O)(C[N@@H+]1CC[C@@H](CF)C1)c1ccccc1 ZINC000711466152 712302398 /nfs/dbraw/zinc/30/23/98/712302398.db2.gz DYSBBPQKKXPZSO-GXTWGEPZSA-N 1 0 237.318 2.186 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](CF)C2)C1 ZINC000711450924 712302403 /nfs/dbraw/zinc/30/24/03/712302403.db2.gz MHDXIFDTHIZCBE-YNEHKIRRSA-N 1 0 229.339 2.219 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@@H]2C=CCC2)[C@@H]2CCO[C@@H]21 ZINC000711726000 712322390 /nfs/dbraw/zinc/32/23/90/712322390.db2.gz CZNVAYWKQJXDJY-XQHKEYJVSA-N 1 0 221.344 2.356 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711817740 712332474 /nfs/dbraw/zinc/33/24/74/712332474.db2.gz NTMOGAZYYUOVFI-ZYHUDNBSSA-N 1 0 219.332 2.496 10 0 BEAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cs1 ZINC000378806586 712362809 /nfs/dbraw/zinc/36/28/09/712362809.db2.gz XIIOMADQFZOHSI-IUCAKERBSA-N 1 0 248.754 2.273 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378964883 712368057 /nfs/dbraw/zinc/36/80/57/712368057.db2.gz SXJUGGUCAQYRLN-HTOAHKCRSA-N 1 0 223.360 2.316 10 0 BEAERO CCCc1noc(C(C)(C)[C@@H]([NH3+])C(C)C)n1 ZINC000713083222 712452275 /nfs/dbraw/zinc/45/22/75/712452275.db2.gz MSGZYGCJSRPLLN-JTQLQIEISA-N 1 0 225.336 2.283 10 0 BEAERO C[C@@H]([NH2+]Cc1scnc1Cl)[C@H]1CCCO1 ZINC000713445887 712460303 /nfs/dbraw/zinc/46/03/03/712460303.db2.gz AOIXCWXVZPPJPB-HTQZYQBOSA-N 1 0 246.763 2.454 10 0 BEAERO C=C/C=C/CC[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC000713646090 712468599 /nfs/dbraw/zinc/46/85/99/712468599.db2.gz PKOQNRGYTSDYKS-MUBLQREKSA-N 1 0 207.317 2.420 10 0 BEAERO C=C/C=C/CC[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000713748917 712471103 /nfs/dbraw/zinc/47/11/03/712471103.db2.gz SPAMVGNHRFMPCW-ITKZLYELSA-N 1 0 223.316 2.004 10 0 BEAERO COCC1CC([NH2+][C@H]2CCO[C@H](C(C)C)C2)C1 ZINC000713958697 712475145 /nfs/dbraw/zinc/47/51/45/712475145.db2.gz IBOWDGDQAOKKLM-YIOUJQMASA-N 1 0 241.375 2.205 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000713994938 712477128 /nfs/dbraw/zinc/47/71/28/712477128.db2.gz CEGXXDNGWQLXIT-BEZKJRAVSA-N 1 0 209.333 2.190 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCCC23CC3)C1 ZINC000713996565 712477136 /nfs/dbraw/zinc/47/71/36/712477136.db2.gz WMBSLFHIYYXBHT-HTAVTVPLSA-N 1 0 209.333 2.334 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2ccncc2)C1 ZINC000714008372 712477352 /nfs/dbraw/zinc/47/73/52/712477352.db2.gz SITGJUZDKCDTKE-XSRFYTQQSA-N 1 0 220.316 2.157 10 0 BEAERO Cc1csc2c1ncnc2NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715084871 712507514 /nfs/dbraw/zinc/50/75/14/712507514.db2.gz DHCBPONRMXJTGI-DTORHVGOSA-N 1 0 248.355 2.149 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2ccnc(C(F)(F)F)c2)C1 ZINC000715096871 712508584 /nfs/dbraw/zinc/50/85/84/712508584.db2.gz OKDQEVGWFXJKLD-ZKCHVHJHSA-N 1 0 245.248 2.250 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2ncc(Cl)cc2F)C1 ZINC000715134482 712514609 /nfs/dbraw/zinc/51/46/09/712514609.db2.gz QQSJUSIHIVZJOI-FKQCQYRASA-N 1 0 229.686 2.023 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715515404 712524944 /nfs/dbraw/zinc/52/49/44/712524944.db2.gz BGGNBENCTMKSRW-AHLTXXRQSA-N 1 0 223.360 2.268 10 0 BEAERO CCCCCC[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037041805 712530875 /nfs/dbraw/zinc/53/08/75/712530875.db2.gz DMXOVKFZIRVZKD-STQMWFEESA-N 1 0 240.391 2.461 10 0 BEAERO CC[C@@H]([NH2+][C@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876957 712538374 /nfs/dbraw/zinc/53/83/74/712538374.db2.gz JBWUSDJZVOKVRG-MWLCHTKSSA-N 1 0 222.336 2.044 10 0 BEAERO CCC[C@@H]([NH2+][C@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876598 712538813 /nfs/dbraw/zinc/53/88/13/712538813.db2.gz IDAXMGVXFJVGMK-ZYHUDNBSSA-N 1 0 236.363 2.435 10 0 BEAERO CCCC[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037167283 712549998 /nfs/dbraw/zinc/54/99/98/712549998.db2.gz ZQHCNSWFCHIBFH-LBPRGKRZSA-N 1 0 200.370 2.352 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCCCC1CC1 ZINC000716358456 712556163 /nfs/dbraw/zinc/55/61/63/712556163.db2.gz CTSKLHUXAHBNSM-STQMWFEESA-N 1 0 238.375 2.058 10 0 BEAERO CSC1CC([NH2+]Cc2[nH]nc(C)c2C)C1 ZINC000716473224 712563243 /nfs/dbraw/zinc/56/32/43/712563243.db2.gz QYEDJMHDTVLQEB-UHFFFAOYSA-N 1 0 225.361 2.010 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cnn1C ZINC000716580202 712564084 /nfs/dbraw/zinc/56/40/84/712564084.db2.gz SYTWBNOBGXSERP-VMXABPDPSA-N 1 0 233.359 2.110 10 0 BEAERO NC(=O)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC000716686264 712569762 /nfs/dbraw/zinc/56/97/62/712569762.db2.gz WPOXGBARTPBRBU-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccsc1 ZINC000716684087 712569788 /nfs/dbraw/zinc/56/97/88/712569788.db2.gz PGKGKKJSNDRWSK-VQXHTEKXSA-N 1 0 238.356 2.053 10 0 BEAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)c2ccccc21 ZINC000716724157 712571024 /nfs/dbraw/zinc/57/10/24/712571024.db2.gz SQSWCERRFMERIF-WCDMZKEKSA-N 1 0 244.338 2.088 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)cc1C ZINC000716723855 712571070 /nfs/dbraw/zinc/57/10/70/712571070.db2.gz RNOKWGJQHQQRFX-LMWSTFAQSA-N 1 0 246.354 2.218 10 0 BEAERO CC[C@@H](C)C[C@H](CC)[NH2+]C1CC(C(N)=O)C1 ZINC000716770226 712572837 /nfs/dbraw/zinc/57/28/37/712572837.db2.gz NSZCAGVNWAQDSZ-ZYGVAYEYSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cccs1 ZINC000716769270 712572921 /nfs/dbraw/zinc/57/29/21/712572921.db2.gz HZLJPYYQMYPOTE-UDNWOFFPSA-N 1 0 238.356 2.053 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2nccc3cccnc32)C1 ZINC000716889882 712580790 /nfs/dbraw/zinc/58/07/90/712580790.db2.gz CPVGPPCCUNEDNM-CMPLNLGQSA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+]CC1(CCNc2nccc3cccnc32)CC1 ZINC000716910162 712582091 /nfs/dbraw/zinc/58/20/91/712582091.db2.gz ZXLJQXIPHABYGI-UHFFFAOYSA-N 1 0 242.326 2.171 10 0 BEAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CCCNC1=O ZINC000717531046 712660778 /nfs/dbraw/zinc/66/07/78/712660778.db2.gz XDTOANWIJOUUFX-UTUOFQBUSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H](C[NH2+][C@@H](CO)C1CCC1)C(C)(C)C ZINC000717612688 712662410 /nfs/dbraw/zinc/66/24/10/712662410.db2.gz JEZZBFFDUVYCBF-JQWIXIFHSA-N 1 0 213.365 2.419 10 0 BEAERO [NH3+]C1CCC(C(=O)N2CCCCCCC2)CC1 ZINC000037623378 712686911 /nfs/dbraw/zinc/68/69/11/712686911.db2.gz SRQGJIUGZNXIAL-UHFFFAOYSA-N 1 0 238.375 2.297 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C1CCC=CCC1 ZINC000718125142 712745966 /nfs/dbraw/zinc/74/59/66/712745966.db2.gz UINOLYILGMKBJE-LBPRGKRZSA-N 1 0 211.349 2.482 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C1CCC=CCC1 ZINC000718125141 712745968 /nfs/dbraw/zinc/74/59/68/712745968.db2.gz UINOLYILGMKBJE-GFCCVEGCSA-N 1 0 211.349 2.482 10 0 BEAERO C[C@H](NC(=O)CC1CCCC1)C1CC[NH2+]CC1 ZINC000037865039 712777286 /nfs/dbraw/zinc/77/72/86/712777286.db2.gz OQXNKGBDXIUHSC-NSHDSACASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccnc2ncccc12 ZINC000718930731 712788749 /nfs/dbraw/zinc/78/87/49/712788749.db2.gz QGUMNHMUTHHEAF-ZWNOBZJWSA-N 1 0 242.326 2.040 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ccnc2ncccc12 ZINC000718931648 712788776 /nfs/dbraw/zinc/78/87/76/712788776.db2.gz ZVBHAUOEVJHNCT-JTQLQIEISA-N 1 0 230.315 2.169 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccnc3ncccc23)C1 ZINC000718928126 712789781 /nfs/dbraw/zinc/78/97/81/712789781.db2.gz AQAQYZBMAAUZGD-MNOVXSKESA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000718968247 712790488 /nfs/dbraw/zinc/79/04/88/712790488.db2.gz FLELYUFTASRGPQ-OLZOCXBDSA-N 1 0 236.359 2.073 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C/C=C/CO ZINC000719209432 712800540 /nfs/dbraw/zinc/80/05/40/712800540.db2.gz YQCYMXMSXBPYEP-SYTKJHMZSA-N 1 0 211.349 2.483 10 0 BEAERO CC(C)NC(=O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719226488 712800875 /nfs/dbraw/zinc/80/08/75/712800875.db2.gz NLUWWQOXWOOKOE-LBPRGKRZSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCCCC1(C)C)C(=O)NC ZINC000719267128 712802549 /nfs/dbraw/zinc/80/25/49/712802549.db2.gz MFYOWOBWUIOKAU-RYUDHWBXSA-N 1 0 240.391 2.460 10 0 BEAERO Cn1ncc(C[NH2+][C@@H]2CCCCCC2(C)C)n1 ZINC000719308486 712804247 /nfs/dbraw/zinc/80/42/47/712804247.db2.gz NRLNSSOYEQANOS-GFCCVEGCSA-N 1 0 236.363 2.264 10 0 BEAERO [NH3+]C[C@H]1CCN(C[C@H]2CCCO2)c2ccccc21 ZINC000719530046 712808694 /nfs/dbraw/zinc/80/86/94/712808694.db2.gz HRFMZOPBNLJAPU-CHWSQXEVSA-N 1 0 246.354 2.118 10 0 BEAERO CC[C@@H](C)c1noc(CC(C)(C)C[NH3+])n1 ZINC000720854299 712870558 /nfs/dbraw/zinc/87/05/58/712870558.db2.gz YZPNVEBKHCQOIG-MRVPVSSYSA-N 1 0 211.309 2.111 10 0 BEAERO C[NH2+]C[C@H](C)c1noc([C@@H]2CCC[C@@H]2C)n1 ZINC000721049680 712888368 /nfs/dbraw/zinc/88/83/68/712888368.db2.gz FYWNLQFERPZODX-LPEHRKFASA-N 1 0 223.320 2.296 10 0 BEAERO CCN(C)CC[NH2+]C/C=C\c1ccccc1 ZINC000211519935 1165824063 /nfs/dbraw/zinc/82/40/63/1165824063.db2.gz RCHWWDWYXNFERE-YFHOEESVSA-N 1 0 218.344 2.241 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)N1CCCCCCC1 ZINC000055086780 1169142944 /nfs/dbraw/zinc/14/29/44/1169142944.db2.gz XWSPNTAPTZGDKD-CHWSQXEVSA-N 1 0 238.375 2.297 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000136138540 960129595 /nfs/dbraw/zinc/12/95/95/960129595.db2.gz VZLZFRANGZOPNY-GVXVVHGQSA-N 1 0 226.364 2.293 10 0 BEAERO Cc1occc1CN(C)c1cc[nH+]cc1CO ZINC000126436974 962798282 /nfs/dbraw/zinc/79/82/82/962798282.db2.gz DQWRANTWIWYADM-UHFFFAOYSA-N 1 0 232.283 2.112 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC000038116692 1171021361 /nfs/dbraw/zinc/02/13/61/1171021361.db2.gz CUZPHJYPSGWKHC-PELKAZGASA-N 1 0 229.270 2.386 10 0 BEAERO CCc1ccc(C[NH2+]C[C@@H]2CCCCN2C)o1 ZINC000051724959 1171913885 /nfs/dbraw/zinc/91/38/85/1171913885.db2.gz TZYRYCNENYHRMS-LBPRGKRZSA-N 1 0 236.359 2.416 10 0 BEAERO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C ZINC000052202966 1171947373 /nfs/dbraw/zinc/94/73/73/1171947373.db2.gz NOPLGSBFNXJLFY-GFCCVEGCSA-N 1 0 220.360 2.289 10 0 BEAERO CC[C@@H]1CCCC[N@@H+]1Cc1cccnc1N ZINC000052719327 1171984365 /nfs/dbraw/zinc/98/43/65/1171984365.db2.gz JJJYRXWRNMNCDU-GFCCVEGCSA-N 1 0 219.332 2.428 10 0 BEAERO C[C@H]1C[C@@]2(CC(C)(C)C1)C(=O)CC[N@H+]2C ZINC000685954578 538899168 /nfs/dbraw/zinc/89/91/68/538899168.db2.gz OHOAXCVQODNSEP-ZWNOBZJWSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H]1CCCC[C@@H]1OCC(F)(F)C[NH3+] ZINC000685956495 538902864 /nfs/dbraw/zinc/90/28/64/538902864.db2.gz VOGUYJIVHGPBRE-BDAKNGLRSA-N 1 0 207.264 2.176 10 0 BEAERO C[NH2+]Cc1cnc(C(Cl)(Cl)Cl)nc1 ZINC000685956635 538903515 /nfs/dbraw/zinc/90/35/15/538903515.db2.gz XNPIRKVKAISERB-UHFFFAOYSA-N 1 0 240.521 2.023 10 0 BEAERO OC[C@H](CC[NH2+]Cc1ccccc1)C1CC1 ZINC000685963560 538910500 /nfs/dbraw/zinc/91/05/00/538910500.db2.gz SGPVPNHGWYKCBQ-AWEZNQCLSA-N 1 0 219.328 2.185 10 0 BEAERO CC[C@]1(C(=O)OC(C)(C)C)C[C@H](C)C[C@H]1[NH3+] ZINC000685959258 538906648 /nfs/dbraw/zinc/90/66/48/538906648.db2.gz LLCVERXTXJBKNS-BREBYQMCSA-N 1 0 227.348 2.482 10 0 BEAERO CC[C@@H](C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961404 538908473 /nfs/dbraw/zinc/90/84/73/538908473.db2.gz HPZTZJKEQFPDGX-OCCSQVGLSA-N 1 0 248.370 2.061 10 0 BEAERO C[C@H]([NH3+])C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962725 538909847 /nfs/dbraw/zinc/90/98/47/538909847.db2.gz RKJNCTHFOIQXTG-RYUDHWBXSA-N 1 0 235.327 2.146 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@@H]1CCCC(C)(C)C1 ZINC000685963078 538910100 /nfs/dbraw/zinc/91/01/00/538910100.db2.gz GDXPDBIMNNYFPP-VXGBXAGGSA-N 1 0 213.365 2.421 10 0 BEAERO OC[C@@H](CC[NH2+]C1CC1)C1CCCCC1 ZINC000685963113 538910154 /nfs/dbraw/zinc/91/01/54/538910154.db2.gz GOGSOTFQVBHVFQ-GFCCVEGCSA-N 1 0 211.349 2.317 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000685963108 538910271 /nfs/dbraw/zinc/91/02/71/538910271.db2.gz GLVVHPIFTZZYCN-AAEUAGOBSA-N 1 0 207.317 2.008 10 0 BEAERO CC[N@@H+]1CCC(=O)[C@@]12C[C@H](C)C[C@H](C)C2 ZINC000685952636 538896630 /nfs/dbraw/zinc/89/66/30/538896630.db2.gz BHLANSZPUVNLQN-PJXYFTJBSA-N 1 0 209.333 2.476 10 0 BEAERO CC[C@@H](c1ccccc1)[C@H](CO)CC[NH2+]C ZINC000685963861 538910807 /nfs/dbraw/zinc/91/08/07/538910807.db2.gz YRMOEKSHJPDBEB-KBPBESRZSA-N 1 0 221.344 2.398 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@H]1CCC[C@@H](C)C1 ZINC000685963930 538910813 /nfs/dbraw/zinc/91/08/13/538910813.db2.gz ZSIRCTWHBUDUJF-FRRDWIJNSA-N 1 0 213.365 2.421 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@@H]1CCC[C@H](C)C1 ZINC000685963933 538910842 /nfs/dbraw/zinc/91/08/42/538910842.db2.gz ZSIRCTWHBUDUJF-YNEHKIRRSA-N 1 0 213.365 2.421 10 0 BEAERO C=C(OCC)c1ncccc1C[NH2+]CC ZINC000685965185 538911431 /nfs/dbraw/zinc/91/14/31/538911431.db2.gz SFHYTJHEJHKRDY-UHFFFAOYSA-N 1 0 206.289 2.198 10 0 BEAERO CCCc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685965361 538911803 /nfs/dbraw/zinc/91/18/03/538911803.db2.gz BALJASYZGZYNFY-ZIAGYGMSSA-N 1 0 218.344 2.043 10 0 BEAERO C[C@@H]1C[C@H]2CC[C@@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000685965647 538912432 /nfs/dbraw/zinc/91/24/32/538912432.db2.gz MWGXDHITUGAYCN-FDYHWXHSSA-N 1 0 221.344 2.476 10 0 BEAERO CCCc1cccc([C@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965612 538912679 /nfs/dbraw/zinc/91/26/79/538912679.db2.gz LDPYQMUJUQIXJD-ZIAGYGMSSA-N 1 0 218.344 2.043 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1cccnc1 ZINC000044762630 168323426 /nfs/dbraw/zinc/32/34/26/168323426.db2.gz MNVNPZHTVCLWEU-NSHDSACASA-N 1 0 249.358 2.024 10 0 BEAERO Cc1cc(C[NH3+])cc(C)c1OC(F)F ZINC000020470801 177981695 /nfs/dbraw/zinc/98/16/95/177981695.db2.gz HGTOMNRCSKTYNP-UHFFFAOYSA-N 1 0 201.216 2.364 10 0 BEAERO Cc1cc(C[NH3+])nc(Cc2ccc(C)c(C)c2)n1 ZINC000061682185 177983887 /nfs/dbraw/zinc/98/38/87/177983887.db2.gz WWPHOQXXSRCCOH-UHFFFAOYSA-N 1 0 241.338 2.451 10 0 BEAERO C[C@@H]1CC[C@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378718639 346815148 /nfs/dbraw/zinc/81/51/48/346815148.db2.gz OTVRUAYEMLWORE-ROHXPCBUSA-N 1 0 209.333 2.188 10 0 BEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062901331 349495957 /nfs/dbraw/zinc/49/59/57/349495957.db2.gz SUXGTKNWRBQZJK-YRGRVCCFSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)(C)[C@H](C[NH3+])SC1CCOCC1 ZINC000062054152 187323162 /nfs/dbraw/zinc/32/31/62/187323162.db2.gz NHHGVNAYMYVWCH-JTQLQIEISA-N 1 0 217.378 2.272 10 0 BEAERO CCC(CC)C(=O)N(CC[NH3+])C(C)(C)C ZINC000020183397 168333700 /nfs/dbraw/zinc/33/37/00/168333700.db2.gz UJERRYRJEIDYGY-UHFFFAOYSA-N 1 0 214.353 2.008 10 0 BEAERO CC(C)(O)C(C)(C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000229159073 187324149 /nfs/dbraw/zinc/32/41/49/187324149.db2.gz CRAHGQWZASIDEB-GFCCVEGCSA-N 1 0 233.355 2.465 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cs1 ZINC000294961606 178022691 /nfs/dbraw/zinc/02/26/91/178022691.db2.gz COBRYCREXRVWPG-RYUDHWBXSA-N 1 0 225.357 2.307 10 0 BEAERO Cc1cc(C[N@@H+]2CC[C@@H](CCO)C2)cs1 ZINC000336663629 178000039 /nfs/dbraw/zinc/00/00/39/178000039.db2.gz CQFCJMHPUJYBEK-NSHDSACASA-N 1 0 225.357 2.261 10 0 BEAERO Cc1cc(C[N@H+]2CC[C@H](C)C2)ccc1N ZINC000040725290 178001906 /nfs/dbraw/zinc/00/19/06/178001906.db2.gz QVFQWBWOCNOITI-JTQLQIEISA-N 1 0 204.317 2.419 10 0 BEAERO Cc1cnn(CC[NH2+]C2CCC(F)(F)CC2)c1 ZINC000389990699 398154774 /nfs/dbraw/zinc/15/47/74/398154774.db2.gz FSWBNGYFAMJZBD-UHFFFAOYSA-N 1 0 243.301 2.359 10 0 BEAERO Cc1cc(C[NH2+]C2CCN(C)CC2)cc(C)c1O ZINC000037248701 178019259 /nfs/dbraw/zinc/01/92/59/178019259.db2.gz URYHUEURWPTLLT-UHFFFAOYSA-N 1 0 248.370 2.193 10 0 BEAERO O[C@@H](c1ccsc1Cl)[C@H]1CCC[NH2+]C1 ZINC000306307962 398158014 /nfs/dbraw/zinc/15/80/14/398158014.db2.gz KGRCFBBSNNGYRP-IONNQARKSA-N 1 0 231.748 2.435 10 0 BEAERO Cc1cc(C[NH2+]C[C@H](O)C(C)C)cc(C)c1O ZINC000124571666 178024801 /nfs/dbraw/zinc/02/48/01/178024801.db2.gz ATOSFRWEZZZASY-ZDUSSCGKSA-N 1 0 237.343 2.116 10 0 BEAERO Cc1cc(C[NH2+]C[C@H](C)O)ccc1OC(C)C ZINC000098126317 178024861 /nfs/dbraw/zinc/02/48/61/178024861.db2.gz YVZYESDSROFNCA-LBPRGKRZSA-N 1 0 237.343 2.253 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc(C)c1O ZINC000051995012 178032780 /nfs/dbraw/zinc/03/27/80/178032780.db2.gz CDFRGYKLJMVWCD-KGLIPLIRSA-N 1 0 249.354 2.402 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c(C)n1C ZINC000052790256 178033940 /nfs/dbraw/zinc/03/39/40/178033940.db2.gz ZZBYRDRYPKDECI-ZIAGYGMSSA-N 1 0 236.359 2.035 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)c(C)n1C ZINC000052790257 178039627 /nfs/dbraw/zinc/03/96/27/178039627.db2.gz ZZBYRDRYPKDECI-UONOGXRCSA-N 1 0 236.359 2.035 10 0 BEAERO COc1ccc([C@H]2CCCCN2CC[NH3+])cc1 ZINC000616615344 398174873 /nfs/dbraw/zinc/17/48/73/398174873.db2.gz WGTPCCUGWRGDDJ-CQSZACIVSA-N 1 0 234.343 2.181 10 0 BEAERO Cc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc(C)c1O ZINC000128228705 178042222 /nfs/dbraw/zinc/04/22/22/178042222.db2.gz OEKVOMQNESHVNY-STQMWFEESA-N 1 0 249.354 2.258 10 0 BEAERO Cc1cc(COc2ccccc2CC[NH3+])no1 ZINC000037720515 178048654 /nfs/dbraw/zinc/04/86/54/178048654.db2.gz VNJBMYQREZBGGR-UHFFFAOYSA-N 1 0 232.283 2.063 10 0 BEAERO C[C@@H]1C[NH2+][C@H](c2ccc(O)c(F)c2)S1 ZINC000232448129 398179461 /nfs/dbraw/zinc/17/94/61/398179461.db2.gz INOSUDMLJCMQAZ-LDWIPMOCSA-N 1 0 213.277 2.255 10 0 BEAERO Cc1cc(C[C@@H](C)[NH3+])nc(C2CCCC2)n1 ZINC000054835287 178054190 /nfs/dbraw/zinc/05/41/90/178054190.db2.gz DWAWZTLNZBTUQQ-SECBINFHSA-N 1 0 219.332 2.332 10 0 BEAERO Cc1cc(C[C@H](C)[NH3+])nc(C2CCCC2)n1 ZINC000054835290 178057057 /nfs/dbraw/zinc/05/70/57/178057057.db2.gz DWAWZTLNZBTUQQ-VIFPVBQESA-N 1 0 219.332 2.332 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1(C)CC1 ZINC000385435138 398160467 /nfs/dbraw/zinc/16/04/67/398160467.db2.gz MWNYRNLIYJZFAR-TUAOUCFPSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000385429750 398161559 /nfs/dbraw/zinc/16/15/59/398161559.db2.gz IICWEOFRFWFQHF-WDEREUQCSA-N 1 0 226.364 2.007 10 0 BEAERO Cc1nc2c(Cl)cc(C)cn2c1C[NH3+] ZINC000082694052 178062518 /nfs/dbraw/zinc/06/25/18/178062518.db2.gz KAVSYXNLIZCKNQ-UHFFFAOYSA-N 1 0 209.680 2.063 10 0 BEAERO CCC(CC)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000129591425 168337478 /nfs/dbraw/zinc/33/74/78/168337478.db2.gz OOMHKFQGSNBMBH-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1cc(Cl)nc(SC2CC[NH2+]CC2)n1 ZINC000095069422 178071915 /nfs/dbraw/zinc/07/19/15/178071915.db2.gz ONEGGPNCAWHVRC-UHFFFAOYSA-N 1 0 243.763 2.283 10 0 BEAERO CCC(CC)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000129591211 168337636 /nfs/dbraw/zinc/33/76/36/168337636.db2.gz OOMHKFQGSNBMBH-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000128036933 178085255 /nfs/dbraw/zinc/08/52/55/178085255.db2.gz REKKCLGFYNEYGK-LBPRGKRZSA-N 1 0 237.318 2.338 10 0 BEAERO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089161319 178087408 /nfs/dbraw/zinc/08/74/08/178087408.db2.gz MNBNBLCTBQNEIQ-JSGCOSHPSA-N 1 0 237.318 2.385 10 0 BEAERO Cc1cc(F)ccc1N1CC[NH2+][C@H](C)CC1 ZINC000049661405 178088917 /nfs/dbraw/zinc/08/89/17/178088917.db2.gz AGUJBJGVYAJGKJ-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO Cc1cc(F)ccc1O[C@H](C[NH3+])C(F)(F)F ZINC000095751184 178091261 /nfs/dbraw/zinc/09/12/61/178091261.db2.gz FRYFIAJURZHJFN-SECBINFHSA-N 1 0 237.196 2.403 10 0 BEAERO CC1(C)C[NH2+][C@H]1c1ncc(Cl)s1 ZINC000307672684 398191651 /nfs/dbraw/zinc/19/16/51/398191651.db2.gz YWJUVWMGFGYTCM-LURJTMIESA-N 1 0 202.710 2.467 10 0 BEAERO Cc1cc(F)ccc1[C@@H](O)C(C)(C)C[NH3+] ZINC000082641653 178092374 /nfs/dbraw/zinc/09/23/74/178092374.db2.gz DRWHPXJJZYBRPA-LLVKDONJSA-N 1 0 211.280 2.152 10 0 BEAERO C[C@@H](C[NH3+])Nc1ccc(F)c(Br)c1 ZINC000159789951 398192655 /nfs/dbraw/zinc/19/26/55/398192655.db2.gz XOYWTGSINKQXMZ-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO Cc1cc(N(C)[C@H]2CCC[NH2+]C2)nc(C(C)C)n1 ZINC000104362855 178100110 /nfs/dbraw/zinc/10/01/10/178100110.db2.gz RLJPQUYQQNAEJN-LBPRGKRZSA-N 1 0 248.374 2.097 10 0 BEAERO Cc1cc(N)ccc1S[C@@H]1CCC[NH2+]C1 ZINC000043501749 178106794 /nfs/dbraw/zinc/10/67/94/178106794.db2.gz KEPQPFGWHWXIPY-LLVKDONJSA-N 1 0 222.357 2.421 10 0 BEAERO Cc1cc(NC(=O)C2CCC(C[NH3+])CC2)ccn1 ZINC000000012059 178124838 /nfs/dbraw/zinc/12/48/38/178124838.db2.gz NDBPUCWSVMFDHJ-UHFFFAOYSA-N 1 0 247.342 2.094 10 0 BEAERO CC[C@H]([NH2+]C[C@@H]1CCCN1C)c1nccs1 ZINC000386271750 398204344 /nfs/dbraw/zinc/20/43/44/398204344.db2.gz ZUZNXYYQDJKHEM-QWRGUYRKSA-N 1 0 239.388 2.278 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)C(N)=O ZINC000094955291 398207274 /nfs/dbraw/zinc/20/72/74/398207274.db2.gz WNGPGORGVYWFCO-JOYOIKCWSA-N 1 0 238.306 2.049 10 0 BEAERO Cc1cc(NC(=O)C[C@H]([NH3+])c2ccccc2)no1 ZINC000019518452 178134941 /nfs/dbraw/zinc/13/49/41/178134941.db2.gz IXPLDBYLSNQBHA-NSHDSACASA-N 1 0 245.282 2.012 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366346259 187329099 /nfs/dbraw/zinc/32/90/99/187329099.db2.gz KSEJRHUFJRVJEY-AVGNSLFASA-N 1 0 238.375 2.151 10 0 BEAERO Cc1cc(NC(C)C)nc(NC(C)C)[nH+]1 ZINC000045356137 178153300 /nfs/dbraw/zinc/15/33/00/178153300.db2.gz JKLDAVVLWFDOHT-UHFFFAOYSA-N 1 0 208.309 2.426 10 0 BEAERO Cc1cc(NCC[NH3+])ccc1Br ZINC000019732755 178161914 /nfs/dbraw/zinc/16/19/14/178161914.db2.gz YQMFRBAWMZQRNO-UHFFFAOYSA-N 1 0 229.121 2.128 10 0 BEAERO Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)nnc1C ZINC000302321421 178162182 /nfs/dbraw/zinc/16/21/82/178162182.db2.gz RINQETIJQZOJDG-LLVKDONJSA-N 1 0 248.374 2.237 10 0 BEAERO Cc1cc(NCc2nc[nH]n2)c2ccccc2[nH+]1 ZINC000037920011 178176073 /nfs/dbraw/zinc/17/60/73/178176073.db2.gz WCCHCAGRUXHPEH-UHFFFAOYSA-N 1 0 239.282 2.273 10 0 BEAERO F[C@@H](c1ccsn1)[C@@H]1CCCC[NH2+]1 ZINC000306605460 398221886 /nfs/dbraw/zinc/22/18/86/398221886.db2.gz PVGGNFIWQSXEKD-IONNQARKSA-N 1 0 200.282 2.296 10 0 BEAERO Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)nc(C(C)C)n1 ZINC000229606576 178188747 /nfs/dbraw/zinc/18/87/47/178188747.db2.gz MTCGMIWEMAINSG-NEPJUHHUSA-N 1 0 248.374 2.461 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC12CCCCC2 ZINC000387103815 398226039 /nfs/dbraw/zinc/22/60/39/398226039.db2.gz GAOBDLHOCCBOGY-RYUDHWBXSA-N 1 0 238.375 2.199 10 0 BEAERO Cc1cc(OC(C)(C)C)ccc1C(=[NH2+])NO ZINC000075848085 178206264 /nfs/dbraw/zinc/20/62/64/178206264.db2.gz LGKDABICLOGSCF-UHFFFAOYSA-N 1 0 222.288 2.476 10 0 BEAERO Cc1cc(OCC[NH3+])ccc1Br ZINC000011945990 178210678 /nfs/dbraw/zinc/21/06/78/178210678.db2.gz JVAKQCAVTINKRQ-UHFFFAOYSA-N 1 0 230.105 2.095 10 0 BEAERO Cc1cc(OCCC[NH+]2CCCC2)ccc1N ZINC000033421542 178211141 /nfs/dbraw/zinc/21/11/41/178211141.db2.gz LKWOVTZSLGCSSC-UHFFFAOYSA-N 1 0 234.343 2.442 10 0 BEAERO Cc1cc(OC[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000011587441 178212372 /nfs/dbraw/zinc/21/23/72/178212372.db2.gz VKDUOJBKBUAHED-NSHDSACASA-N 1 0 241.718 2.016 10 0 BEAERO CCCNC(=[NH2+])c1ccncc1Br ZINC000306643418 361781566 /nfs/dbraw/zinc/78/15/66/361781566.db2.gz WOJJLNDQAPMUOS-UHFFFAOYSA-N 1 0 242.120 2.169 10 0 BEAERO Cc1cc(S[C@@H]2CCCC[C@@H]2C[NH3+])n(C)n1 ZINC000052310485 178219711 /nfs/dbraw/zinc/21/97/11/178219711.db2.gz RGNQSNHFQACDGM-GHMZBOCLSA-N 1 0 239.388 2.338 10 0 BEAERO Cc1cc([C@@H](C)N2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000041027910 178220592 /nfs/dbraw/zinc/22/05/92/178220592.db2.gz CZLQSHWQPNUKPV-PWSUYJOCSA-N 1 0 222.332 2.381 10 0 BEAERO C[NH2+]C[C@H]1C[C@@H]1c1ncc(Cl)s1 ZINC000223244894 398232881 /nfs/dbraw/zinc/23/28/81/398232881.db2.gz VFMPBQKSYPOQCO-RITPCOANSA-N 1 0 202.710 2.119 10 0 BEAERO Cc1cc([C@@H](O)C(C)(C)C[NH3+])c(C)s1 ZINC000082642422 178236818 /nfs/dbraw/zinc/23/68/18/178236818.db2.gz RVXBJLFVOMLSTN-SNVBAGLBSA-N 1 0 213.346 2.383 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@@H]2CCOC2)c(C)s1 ZINC000048622901 178237435 /nfs/dbraw/zinc/23/74/35/178237435.db2.gz PQQDDLBLZRWPDZ-KOLCDFICSA-N 1 0 211.330 2.401 10 0 BEAERO Cc1cc([C@@]23C[C@@H]2C[N@@H+](C)C3)ccc1F ZINC000034894431 178243799 /nfs/dbraw/zinc/24/37/99/178243799.db2.gz ZJDFOPYAGRPFLM-YPMHNXCESA-N 1 0 205.276 2.337 10 0 BEAERO Cc1cc([C@H](C)[NH2+]CCCn2ccnn2)c(C)o1 ZINC000126467155 178247391 /nfs/dbraw/zinc/24/73/91/178247391.db2.gz UGLHNPBIUBMZQV-NSHDSACASA-N 1 0 248.330 2.229 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)no1 ZINC000279555605 178256465 /nfs/dbraw/zinc/25/64/65/178256465.db2.gz JSVSHTWPZAVFRZ-UMNHJUIQSA-N 1 0 224.304 2.201 10 0 BEAERO Cc1cc([C@H](C)O)ccc1OCCC[NH+](C)C ZINC000041279162 178259944 /nfs/dbraw/zinc/25/99/44/178259944.db2.gz KRAGMRLUYBKTRJ-LBPRGKRZSA-N 1 0 237.343 2.379 10 0 BEAERO CCC(CC)C[NH2+]CCN(CC)CC ZINC000019919242 168360335 /nfs/dbraw/zinc/36/03/35/168360335.db2.gz NUXOZHWGWSDENS-UHFFFAOYSA-N 1 0 200.370 2.354 10 0 BEAERO Cc1cc([C@](C)(O)C[NH2+]C2CC2)ccc1F ZINC000032014489 178268278 /nfs/dbraw/zinc/26/82/78/178268278.db2.gz OZJOHIVFYUEPPG-CYBMUJFWSA-N 1 0 223.291 2.094 10 0 BEAERO Cc1cc2c(c(C)c1Cl)C[C@@H](C[NH3+])O2 ZINC000020221788 178282202 /nfs/dbraw/zinc/28/22/02/178282202.db2.gz PXPZGLCWZZMZJG-QMMMGPOBSA-N 1 0 211.692 2.219 10 0 BEAERO Cc1cc2c(cc1C)[S@@](=O)CCC[C@@H]2[NH3+] ZINC000040974994 178287488 /nfs/dbraw/zinc/28/74/88/178287488.db2.gz WONRZYBSIWCUNT-XHDPSFHLSA-N 1 0 223.341 2.205 10 0 BEAERO Cc1cc2ccccc2c(NCCCO)[nH+]1 ZINC000302067626 178298017 /nfs/dbraw/zinc/29/80/17/178298017.db2.gz SXVAKTIZPWNEHX-UHFFFAOYSA-N 1 0 216.284 2.338 10 0 BEAERO Cc1cc2ccccc2nc1N(C)CCC[NH3+] ZINC000063105395 178298900 /nfs/dbraw/zinc/29/89/00/178298900.db2.gz JEEHTGUDJNXNCP-UHFFFAOYSA-N 1 0 229.327 2.328 10 0 BEAERO Cc1ccc(-c2c[nH]c(C[C@@H](C)[NH3+])n2)s1 ZINC000037476811 178317425 /nfs/dbraw/zinc/31/74/25/178317425.db2.gz KKDIAMXLJXUSCB-SSDOTTSWSA-N 1 0 221.329 2.336 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055087547 168367421 /nfs/dbraw/zinc/36/74/21/168367421.db2.gz KRWQGXQOYNSIGH-RYUDHWBXSA-N 1 0 226.364 2.151 10 0 BEAERO CCC(CC)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037482234 168367462 /nfs/dbraw/zinc/36/74/62/168367462.db2.gz BCRWIMULNBIAOM-UHFFFAOYSA-N 1 0 226.364 2.151 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccoc1 ZINC000168002843 538944734 /nfs/dbraw/zinc/94/47/34/538944734.db2.gz KEOVCKSRYQVWOG-DMDPSCGWSA-N 1 0 223.316 2.481 10 0 BEAERO Cc1ccc(-c2ccc(C[NH3+])c(=O)[nH]2)c(C)c1 ZINC000043404354 178324243 /nfs/dbraw/zinc/32/42/43/178324243.db2.gz LKJUWWOFADNYCA-UHFFFAOYSA-N 1 0 228.295 2.117 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055128829 168367559 /nfs/dbraw/zinc/36/75/59/168367559.db2.gz LFKXSNXTLAGKJJ-DRZSPHRISA-N 1 0 240.391 2.397 10 0 BEAERO Cc1ccc(-c2nc([C@H]([NH3+])C3CC3)no2)c(C)n1 ZINC000055331703 178337022 /nfs/dbraw/zinc/33/70/22/178337022.db2.gz AXOQYMZIYDEBPZ-LLVKDONJSA-N 1 0 244.298 2.158 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)C[NH3+])no2)s1 ZINC000054158826 178337549 /nfs/dbraw/zinc/33/75/49/178337549.db2.gz REYQLSWFANVPCD-ZCFIWIBFSA-N 1 0 223.301 2.169 10 0 BEAERO Cc1ccc(-c2ncc(C[C@@H](C)[NH3+])cn2)cc1F ZINC000054857657 178338836 /nfs/dbraw/zinc/33/88/36/178338836.db2.gz AXNDVYAPACMBOW-SNVBAGLBSA-N 1 0 245.301 2.481 10 0 BEAERO Cc1ccc(-c2nn(C)cc2C[NH3+])cc1C ZINC000031885493 178339246 /nfs/dbraw/zinc/33/92/46/178339246.db2.gz NIGFUPXKZTWOJU-UHFFFAOYSA-N 1 0 215.300 2.163 10 0 BEAERO CCC(CC)N(C)c1c(C[NH2+]C)c(C)nn1C ZINC000036789477 168368527 /nfs/dbraw/zinc/36/85/27/168368527.db2.gz JQMFTLYVEBHHRU-UHFFFAOYSA-N 1 0 238.379 2.073 10 0 BEAERO Cc1ccc(-c2nnc(CC[NH3+])o2)c(Cl)c1 ZINC000083365358 178341617 /nfs/dbraw/zinc/34/16/17/178341617.db2.gz MCMIRFAJZNHRFQ-UHFFFAOYSA-N 1 0 237.690 2.200 10 0 BEAERO Cc1ccc(-c2ocnc2C[NH3+])cc1C ZINC000082639093 178345000 /nfs/dbraw/zinc/34/50/00/178345000.db2.gz FXHZESBEPWKNJX-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO Cc1ccc(-c2ocnc2C[NH3+])c(C)c1 ZINC000082639116 178345189 /nfs/dbraw/zinc/34/51/89/178345189.db2.gz CTUVZGQLEKUFQM-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@H]1C ZINC000036281469 398260622 /nfs/dbraw/zinc/26/06/22/398260622.db2.gz AKDIGSWTPFUCMO-PWSUYJOCSA-N 1 0 232.327 2.391 10 0 BEAERO Cc1ccc(C(=O)N(C)[C@@H](C)CC[NH3+])cc1C ZINC000063085721 178379952 /nfs/dbraw/zinc/37/99/52/178379952.db2.gz HPFACCJMSVVQIG-LBPRGKRZSA-N 1 0 234.343 2.113 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)CC[NH2+]1 ZINC000381600484 398266382 /nfs/dbraw/zinc/26/63/82/398266382.db2.gz GHSQGFFJBANONJ-MNOVXSKESA-N 1 0 232.318 2.106 10 0 BEAERO Cc1ccc(C(N)=[NH2+])c(N(C)[C@@H]2CCSC2)c1 ZINC000051579209 178368245 /nfs/dbraw/zinc/36/82/45/178368245.db2.gz CWBDJEGXUDAHJQ-SNVBAGLBSA-N 1 0 249.383 2.221 10 0 BEAERO Cc1ccc(C(N)=[NH2+])c(OC[C@@H]2CCCCO2)c1 ZINC000051580686 178368728 /nfs/dbraw/zinc/36/87/28/178368728.db2.gz YEXODDUFMQCDTK-NSHDSACASA-N 1 0 248.326 2.227 10 0 BEAERO Cc1ccc(C(N)=[NH2+])c(N(C)C[C@@H]2C[C@@H]2C)c1 ZINC000104416396 178368769 /nfs/dbraw/zinc/36/87/69/178368769.db2.gz MTMWAVCFZMWRDG-QWRGUYRKSA-N 1 0 231.343 2.371 10 0 BEAERO CCC(CC)[N@H+](CCOC)C[C@H]1CCC[C@@H]1O ZINC000053924022 168374146 /nfs/dbraw/zinc/37/41/46/168374146.db2.gz UOEWTAPIESXKJJ-OCCSQVGLSA-N 1 0 243.391 2.284 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@H](C)CC(=O)OC ZINC000042680312 168375291 /nfs/dbraw/zinc/37/52/91/168375291.db2.gz ZCVXRJUSQRLHDR-LLVKDONJSA-N 1 0 245.363 2.075 10 0 BEAERO CC(C)(C)OC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000034410024 538954123 /nfs/dbraw/zinc/95/41/23/538954123.db2.gz VUIQCLKFOWDKRD-QMMMGPOBSA-N 1 0 201.310 2.092 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@@](C)(CN)C1CC1 ZINC000042614965 168376087 /nfs/dbraw/zinc/37/60/87/168376087.db2.gz WROAFRCVTDOYDN-AWEZNQCLSA-N 1 0 242.407 2.251 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@@](C)(CN)C(C)C ZINC000042681766 168376188 /nfs/dbraw/zinc/37/61/88/168376188.db2.gz GHTHABASPPICER-AWEZNQCLSA-N 1 0 244.423 2.497 10 0 BEAERO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000378805467 346838471 /nfs/dbraw/zinc/83/84/71/346838471.db2.gz WRXFZCULNRXCFY-QNWHQSFQSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@H]([NH3+])[C@@](C)(O)c1cccc(Br)c1 ZINC000096985903 343999383 /nfs/dbraw/zinc/99/93/83/343999383.db2.gz OIRMXUMJCBWAQQ-OIBJUYFYSA-N 1 0 244.132 2.004 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2cncnc2)C1 ZINC000616613008 349601149 /nfs/dbraw/zinc/60/11/49/349601149.db2.gz GLOZCHAZAPFXJR-JTQLQIEISA-N 1 0 205.305 2.064 10 0 BEAERO Cc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2C)c1C ZINC000189097816 346858295 /nfs/dbraw/zinc/85/82/95/346858295.db2.gz FDMGSKVFDZVRFI-CYBMUJFWSA-N 1 0 246.354 2.014 10 0 BEAERO [NH3+][C@H](Cc1sccc1Cl)c1cnsn1 ZINC000306650510 361849398 /nfs/dbraw/zinc/84/93/98/361849398.db2.gz FONPLVHAYGSWFH-ZCFIWIBFSA-N 1 0 245.760 2.496 10 0 BEAERO CC1(C)[C@@H](O)CC[N@@H+]1C[C@@H]1CCCC1(F)F ZINC000336144831 342694335 /nfs/dbraw/zinc/69/43/35/342694335.db2.gz VCHWVSQPWLTLOC-UWVGGRQHSA-N 1 0 233.302 2.267 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037166295 538961648 /nfs/dbraw/zinc/96/16/48/538961648.db2.gz OGVJNBPEFGIYDB-UPJWGTAASA-N 1 0 237.343 2.494 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccncc1 ZINC000037165864 538961669 /nfs/dbraw/zinc/96/16/69/538961669.db2.gz NBHFYBPRBRXGJJ-DRZSPHRISA-N 1 0 220.316 2.036 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccncc1 ZINC000037165860 538961777 /nfs/dbraw/zinc/96/17/77/538961777.db2.gz NBHFYBPRBRXGJJ-UHTWSYAYSA-N 1 0 220.316 2.036 10 0 BEAERO CCCN(CCC)[C@@H](CC[NH3+])C(F)(F)F ZINC000037178306 538961984 /nfs/dbraw/zinc/96/19/84/538961984.db2.gz JSBLSVKTSMTLLL-VIFPVBQESA-N 1 0 226.286 2.388 10 0 BEAERO O[C@]12CCCC[C@@H]1[NH2+]CC[C@H]2Nc1ccccc1 ZINC000144573964 342746478 /nfs/dbraw/zinc/74/64/78/342746478.db2.gz CTKPODCGJILQCO-RRFJBIMHSA-N 1 0 246.354 2.134 10 0 BEAERO [NH3+]C1(Cc2coc(Br)c2)CCC1 ZINC000306656613 361864487 /nfs/dbraw/zinc/86/44/87/361864487.db2.gz HFBPUZSBRDMIBB-UHFFFAOYSA-N 1 0 230.105 2.466 10 0 BEAERO Cc1ccc(C)c(NC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000335128721 398280570 /nfs/dbraw/zinc/28/05/70/398280570.db2.gz DMYSXUNKBSKBDT-NEPJUHHUSA-N 1 0 247.342 2.257 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2[nH]nc3c2CCCCN3)C1 ZINC000003698320 342736682 /nfs/dbraw/zinc/73/66/82/342736682.db2.gz GGPAGYWSUHOXJM-LLVKDONJSA-N 1 0 248.374 2.357 10 0 BEAERO Cc1c(F)cccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136443722 488179704 /nfs/dbraw/zinc/17/97/04/488179704.db2.gz MWFRNZMXYBBWBP-LLVKDONJSA-N 1 0 238.306 2.446 10 0 BEAERO O[C@]12CCCC[C@@H]1CCC[C@@H]2[NH2+]C1CC1 ZINC000144802705 342751850 /nfs/dbraw/zinc/75/18/50/342751850.db2.gz QNKVTBUUEJHQPQ-KGYLQXTDSA-N 1 0 209.333 2.212 10 0 BEAERO COc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661839 342755041 /nfs/dbraw/zinc/75/50/41/342755041.db2.gz FFNJRSKFZOUBLN-UHFFFAOYSA-N 1 0 206.072 2.461 10 0 BEAERO Cc1ccc2c(c1)C(=O)[C@@H](CC[NH+](C)C)C2 ZINC000138095517 342756619 /nfs/dbraw/zinc/75/66/19/342756619.db2.gz JGJKXBUEWCJKFK-LBPRGKRZSA-N 1 0 217.312 2.302 10 0 BEAERO Cn1cc[n+](-c2ccc(Br)cc2)c1 ZINC000145399306 342761347 /nfs/dbraw/zinc/76/13/47/342761347.db2.gz WKEREAGHGASBBK-UHFFFAOYSA-N 1 0 238.108 2.064 10 0 BEAERO COC1=CCc2cccc([C@@H](C)C[NH3+])c2C1 ZINC000147662372 342778299 /nfs/dbraw/zinc/77/82/99/342778299.db2.gz GSTLVZKZMKSVHH-JTQLQIEISA-N 1 0 217.312 2.378 10 0 BEAERO CCC(CC)[NH2+]CC(=O)N1CCCCCC1 ZINC000020037405 168387128 /nfs/dbraw/zinc/38/71/28/168387128.db2.gz FEVFVNWLFRRJKD-UHFFFAOYSA-N 1 0 226.364 2.167 10 0 BEAERO [NH3+][C@H](CCC(F)(F)F)c1ccncc1 ZINC000070917659 361884874 /nfs/dbraw/zinc/88/48/74/361884874.db2.gz MRXDGEQTPDEAAJ-MRVPVSSYSA-N 1 0 204.195 2.424 10 0 BEAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000147129705 342774091 /nfs/dbraw/zinc/77/40/91/342774091.db2.gz VOIBYCGLVIZHCF-BBBLOLIVSA-N 1 0 228.336 2.027 10 0 BEAERO [NH3+][C@H](c1ccncc1)c1ccc(F)c(F)c1 ZINC000008699673 342802481 /nfs/dbraw/zinc/80/24/81/342802481.db2.gz BAVHAHNPJBRMCE-GFCCVEGCSA-N 1 0 220.222 2.408 10 0 BEAERO Fc1ccc2c(c1)C1(C[C@H]3CC[C@@H](C1)[NH2+]3)OC2 ZINC000147691935 342779309 /nfs/dbraw/zinc/77/93/09/342779309.db2.gz WYDPOWHUFSUCPM-ONXXMXGDSA-N 1 0 233.286 2.466 10 0 BEAERO Oc1ccc2c(c1)CC[C@@H]2[NH+]1CCCC1 ZINC000148056418 342787347 /nfs/dbraw/zinc/78/73/47/342787347.db2.gz OXTSVJYIEFTUFI-ZDUSSCGKSA-N 1 0 203.285 2.475 10 0 BEAERO CC(=O)Nc1ccc2c(c1)C[C@@H]([NH+](C)C)CC2 ZINC000148113371 342788304 /nfs/dbraw/zinc/78/83/04/342788304.db2.gz XLAITXJOICVZIB-AWEZNQCLSA-N 1 0 232.327 2.064 10 0 BEAERO COc1ccc(F)c(F)c1C1=CC[NH2+]CC1 ZINC000148469735 342791368 /nfs/dbraw/zinc/79/13/68/342791368.db2.gz WXWMXIAPXMKYGI-UHFFFAOYSA-N 1 0 225.238 2.350 10 0 BEAERO CO[C@H]1CCc2cccc([C@@H](C)C[NH3+])c2C1 ZINC000148523615 342791461 /nfs/dbraw/zinc/79/14/61/342791461.db2.gz VHRHMUHVBFVMHE-JQWIXIFHSA-N 1 0 219.328 2.253 10 0 BEAERO CCOC(=O)[C@H]1CC=C(c2cc(N)cc[nH+]2)CC1 ZINC000148470737 342791474 /nfs/dbraw/zinc/79/14/74/342791474.db2.gz BWSLZOBBQFCFDS-NSHDSACASA-N 1 0 246.310 2.410 10 0 BEAERO CCOC(=O)[C@@H]1CC=C(c2cc(N)cc[nH+]2)CC1 ZINC000148470902 342791507 /nfs/dbraw/zinc/79/15/07/342791507.db2.gz BWSLZOBBQFCFDS-LLVKDONJSA-N 1 0 246.310 2.410 10 0 BEAERO [NH3+]Cc1ccnc(OCc2cccc(F)c2)c1 ZINC000149278793 342793760 /nfs/dbraw/zinc/79/37/60/342793760.db2.gz BRFXRMNYNNZSTC-UHFFFAOYSA-N 1 0 232.258 2.258 10 0 BEAERO c1cc(-c2ccc3c(c2)CC[NH2+]CC3)ccn1 ZINC000150092946 342796415 /nfs/dbraw/zinc/79/64/15/342796415.db2.gz VJSMKAIJEMERMB-UHFFFAOYSA-N 1 0 224.307 2.437 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccsc1 ZINC000085535173 488181611 /nfs/dbraw/zinc/18/16/11/488181611.db2.gz CMXQRYFIAXCEAU-WCBMZHEXSA-N 1 0 224.329 2.062 10 0 BEAERO CCN1CCCC[C@H]1[C@@H]1CCCCC[NH2+]1 ZINC000022872627 342816389 /nfs/dbraw/zinc/81/63/89/342816389.db2.gz AHUOOIMPGMLGTN-STQMWFEESA-N 1 0 210.365 2.393 10 0 BEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000085573338 398289624 /nfs/dbraw/zinc/28/96/24/398289624.db2.gz SVKZVZOFHPPKCU-TVQRCGJNSA-N 1 0 218.300 2.143 10 0 BEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccnc1 ZINC000043992319 538986035 /nfs/dbraw/zinc/98/60/35/538986035.db2.gz QEEZEDOLIDOPJZ-NEPJUHHUSA-N 1 0 207.321 2.366 10 0 BEAERO Cc1cccc([C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000044129526 538986536 /nfs/dbraw/zinc/98/65/36/538986536.db2.gz KILKTGYNWFXKOG-CYBMUJFWSA-N 1 0 205.301 2.123 10 0 BEAERO C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CO ZINC000191729408 538993418 /nfs/dbraw/zinc/99/34/18/538993418.db2.gz SMQLDBVPSBJHKT-YPMHNXCESA-N 1 0 211.349 2.127 10 0 BEAERO Cc1n[nH]cc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000380059450 538984213 /nfs/dbraw/zinc/98/42/13/538984213.db2.gz ZFSJWSOZMNZXLR-LURJTMIESA-N 1 0 215.247 2.166 10 0 BEAERO CCC(CC)[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000381584854 539004238 /nfs/dbraw/zinc/00/42/38/539004238.db2.gz HAYVVHGVGOCPIR-GXFFZTMASA-N 1 0 226.364 2.022 10 0 BEAERO CN1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000381729880 539006623 /nfs/dbraw/zinc/00/66/23/539006623.db2.gz NGXXKIUVMZKPFO-AVGNSLFASA-N 1 0 228.355 2.199 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccoc2)C1 ZINC000381778251 539007162 /nfs/dbraw/zinc/00/71/62/539007162.db2.gz XKLAYXKOVBBCQH-DMDPSCGWSA-N 1 0 222.332 2.270 10 0 BEAERO FC(F)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000259062528 342839238 /nfs/dbraw/zinc/83/92/38/342839238.db2.gz CAHYJXFWRVOLJM-UHFFFAOYSA-N 1 0 212.243 2.034 10 0 BEAERO CCC(CC)[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000104416810 168399207 /nfs/dbraw/zinc/39/92/07/168399207.db2.gz KFJOHPAXPOETOJ-RTXFEEFZSA-N 1 0 240.391 2.445 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC)cc1 ZINC000037016593 398299356 /nfs/dbraw/zinc/29/93/56/398299356.db2.gz AYZXZRHELGLNJQ-ZWNOBZJWSA-N 1 0 234.343 2.164 10 0 BEAERO Cc1cc(C)n(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000011849686 342843716 /nfs/dbraw/zinc/84/37/16/342843716.db2.gz FRIVAMXAKSUKOJ-CYBMUJFWSA-N 1 0 215.300 2.200 10 0 BEAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000011831947 342843745 /nfs/dbraw/zinc/84/37/45/342843745.db2.gz SKZCRSJSQDGAIE-NSHDSACASA-N 1 0 219.675 2.178 10 0 BEAERO CC1(C)CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000061823214 539015540 /nfs/dbraw/zinc/01/55/40/539015540.db2.gz HXLMVPHIGMLPDL-UHFFFAOYSA-N 1 0 239.388 2.224 10 0 BEAERO C[C@]1([NH3+])CCOc2ccc(Br)cc21 ZINC000062215618 539015864 /nfs/dbraw/zinc/01/58/64/539015864.db2.gz UWLXZPZZSLDZBD-JTQLQIEISA-N 1 0 242.116 2.406 10 0 BEAERO Cc1ccncc1N[C@H](C)[C@@H]1CCCO1 ZINC000389730149 539017050 /nfs/dbraw/zinc/01/70/50/539017050.db2.gz SDLBURFQTXHFDD-PWSUYJOCSA-N 1 0 206.289 2.369 10 0 BEAERO Cc1ccc(C(C)C)cc1CC[NH2+]CCO ZINC000098124727 178453291 /nfs/dbraw/zinc/45/32/91/178453291.db2.gz PAQDJIVHXSOXOO-UHFFFAOYSA-N 1 0 221.344 2.243 10 0 BEAERO [NH3+][C@H]1CSC[C@H]1Cc1cccc(F)c1 ZINC000134571008 342868799 /nfs/dbraw/zinc/86/87/99/342868799.db2.gz NQFLVOBDHONENH-KOLCDFICSA-N 1 0 211.305 2.059 10 0 BEAERO [NH3+][C@H]1CSC[C@H]1CCc1cccs1 ZINC000134580916 342870663 /nfs/dbraw/zinc/87/06/63/342870663.db2.gz DASALCBFLQZAOG-SCZZXKLOSA-N 1 0 213.371 2.371 10 0 BEAERO C[C@@H]1C[C@@H](C)SC(NCC(F)F)=[NH+]1 ZINC000165037141 342871223 /nfs/dbraw/zinc/87/12/23/342871223.db2.gz CLMUOGVXBDPENI-PHDIDXHHSA-N 1 0 208.277 2.111 10 0 BEAERO C[C@@](F)(C[NH3+])Cc1cc(F)cc(F)c1 ZINC000165061945 342873548 /nfs/dbraw/zinc/87/35/48/342873548.db2.gz MFOHBRQIDWCXKL-JTQLQIEISA-N 1 0 203.207 2.194 10 0 BEAERO Cc1nnc(C[NH2+][C@@H]2CC[C@@H](C)C2)s1 ZINC000134664087 342875973 /nfs/dbraw/zinc/87/59/73/342875973.db2.gz JDGZDBNDFQASHR-VXNVDRBHSA-N 1 0 211.334 2.125 10 0 BEAERO [NH3+]C[C@H]1CCN(c2sccc2Cl)C1 ZINC000229947171 342858360 /nfs/dbraw/zinc/85/83/60/342858360.db2.gz SVNMAJUOVAGYKK-SSDOTTSWSA-N 1 0 216.737 2.187 10 0 BEAERO C[C@@H]1CC(NOC(C)(C)C)C[C@@H](C)O1 ZINC000134493037 342858965 /nfs/dbraw/zinc/85/89/65/342858965.db2.gz FLHUDVTVFCWBBI-RKDXNWHRSA-N 1 0 201.310 2.262 10 0 BEAERO C[NH+]1CCC(Oc2nc(Cl)cs2)CC1 ZINC000164940168 342859214 /nfs/dbraw/zinc/85/92/14/342859214.db2.gz LINAVCZMGNHTME-UHFFFAOYSA-N 1 0 232.736 2.270 10 0 BEAERO NC(=[NH2+])c1ccc(Cl)c(Br)c1 ZINC000126733035 398319205 /nfs/dbraw/zinc/31/92/05/398319205.db2.gz VLDHKPOQAAZYKX-UHFFFAOYSA-N 1 0 233.496 2.387 10 0 BEAERO Nc1cc[nH+]cc1NCC=C(Cl)Cl ZINC000407262924 342911024 /nfs/dbraw/zinc/91/10/24/342911024.db2.gz JVPMCFADJDPURZ-UHFFFAOYSA-N 1 0 218.087 2.225 10 0 BEAERO CCC(CC)[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000104416816 168405755 /nfs/dbraw/zinc/40/57/55/168405755.db2.gz KFJOHPAXPOETOJ-DRZSPHRISA-N 1 0 240.391 2.445 10 0 BEAERO CCOC(=O)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000309177383 342903383 /nfs/dbraw/zinc/90/33/83/342903383.db2.gz YYKGKBSACUXPLY-LBPRGKRZSA-N 1 0 219.284 2.288 10 0 BEAERO Cc1ccc(Br)c(NCC[NH3+])c1 ZINC000134859976 342904282 /nfs/dbraw/zinc/90/42/82/342904282.db2.gz WPIIINAEIGZEHL-UHFFFAOYSA-N 1 0 229.121 2.128 10 0 BEAERO CC(C)C[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037482041 398328295 /nfs/dbraw/zinc/32/82/95/398328295.db2.gz FSJSDULLJHCXAF-UNXYVOJBSA-N 1 0 226.364 2.055 10 0 BEAERO CCOP(=O)(C[C@@H]1CCC[NH2+]1)OCC ZINC000308580446 346885121 /nfs/dbraw/zinc/88/51/21/346885121.db2.gz JKZNJTVJBOTYTK-VIFPVBQESA-N 1 0 221.237 2.005 10 0 BEAERO COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000351729049 536650717 /nfs/dbraw/zinc/65/07/17/536650717.db2.gz CDHKORLCDUSSJI-TUAOUCFPSA-N 1 0 225.332 2.058 10 0 BEAERO CC(C)=CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000303080164 192054918 /nfs/dbraw/zinc/05/49/18/192054918.db2.gz IJUDDGRDOHRQLV-STQMWFEESA-N 1 0 236.359 2.038 10 0 BEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092918 398336018 /nfs/dbraw/zinc/33/60/18/398336018.db2.gz LLJGTTDSIHZYQO-BDAKNGLRSA-N 1 0 240.734 2.255 10 0 BEAERO C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000037607407 398332444 /nfs/dbraw/zinc/33/24/44/398332444.db2.gz OXIJWFWNTDNBOQ-WCQYABFASA-N 1 0 232.327 2.087 10 0 BEAERO CCCCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159551460 398342066 /nfs/dbraw/zinc/34/20/66/398342066.db2.gz FWDMXZIJPFIMEF-CYBMUJFWSA-N 1 0 226.364 2.215 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178869650 534930281 /nfs/dbraw/zinc/93/02/81/534930281.db2.gz SHZCCSIKOANSKY-NEPJUHHUSA-N 1 0 240.391 2.254 10 0 BEAERO [NH3+][C@H](c1ccc2c(c1)CCO2)C1CCC1 ZINC000019970991 342965401 /nfs/dbraw/zinc/96/54/01/342965401.db2.gz GYZKTWVRPLBZEV-ZDUSSCGKSA-N 1 0 203.285 2.421 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261805041 534931889 /nfs/dbraw/zinc/93/18/89/534931889.db2.gz JDZLRTBYCWOSNL-VXGBXAGGSA-N 1 0 240.391 2.254 10 0 BEAERO CCN1CCCC[C@@H]1[C@H]1CCCCC[NH2+]1 ZINC000022129784 343041228 /nfs/dbraw/zinc/04/12/28/343041228.db2.gz AHUOOIMPGMLGTN-CHWSQXEVSA-N 1 0 210.365 2.393 10 0 BEAERO [NH3+]Cc1ncccc1-n1ccc2ccccc21 ZINC000117991614 343031479 /nfs/dbraw/zinc/03/14/79/343031479.db2.gz UBAZZZLUMVHXJV-UHFFFAOYSA-N 1 0 223.279 2.484 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1CCc2ccccc2C1 ZINC000019852555 187222702 /nfs/dbraw/zinc/22/27/02/187222702.db2.gz HQDIRAZAGKAUPD-HNNXBMFYSA-N 1 0 232.371 2.418 10 0 BEAERO C[C@H]([NH3+])[C@H](n1cc(Cl)cn1)C(C)(C)C ZINC000043294974 343037833 /nfs/dbraw/zinc/03/78/33/343037833.db2.gz MCBZCUJVBNSDCP-CBAPKCEASA-N 1 0 215.728 2.471 10 0 BEAERO O[C@@]1(c2ccc(Cl)cc2)CC[NH2+]CC12CC2 ZINC000118190266 343044923 /nfs/dbraw/zinc/04/49/23/343044923.db2.gz PZCSCANRNDRQKA-CYBMUJFWSA-N 1 0 237.730 2.301 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)(C)C ZINC000247046780 343053593 /nfs/dbraw/zinc/05/35/93/343053593.db2.gz GWHDIYFBKOKJTC-RYUDHWBXSA-N 1 0 238.375 2.118 10 0 BEAERO CC1(C)CSC(NC[C@@H]2CCSC2)=[NH+]1 ZINC000228589034 362006623 /nfs/dbraw/zinc/00/66/23/362006623.db2.gz ULGIODJQXLSTNI-QMMMGPOBSA-N 1 0 230.402 2.211 10 0 BEAERO Cc1ccccc1C[C@@H](C)[NH2+]CC[C@@H](C)O ZINC000119056666 343066130 /nfs/dbraw/zinc/06/61/30/343066130.db2.gz XOHKSSDJCOMTPM-CHWSQXEVSA-N 1 0 221.344 2.287 10 0 BEAERO CC(C)[C@H]([NH3+])[C@H](O)c1cccc(Cl)c1 ZINC000071518914 362005982 /nfs/dbraw/zinc/00/59/82/362005982.db2.gz VQQGMLLHUVGTPB-WDEREUQCSA-N 1 0 213.708 2.357 10 0 BEAERO Cc1c(C)c(C)c([C@H](N)C[NH3+])c(C)c1C ZINC000072200685 343069145 /nfs/dbraw/zinc/06/91/45/343069145.db2.gz XBJRSHAHPCNTEJ-GFCCVEGCSA-N 1 0 206.333 2.187 10 0 BEAERO [NH3+][C@H](CO)c1cccc(OCc2ccccc2)c1 ZINC000072198968 343069259 /nfs/dbraw/zinc/06/92/59/343069259.db2.gz ZJSLKMMZWDWGKU-OAHLLOKOSA-N 1 0 243.306 2.258 10 0 BEAERO N[C@H](C[NH3+])c1ccc(C(F)(F)F)c(Cl)c1 ZINC000072201407 343069428 /nfs/dbraw/zinc/06/94/28/343069428.db2.gz HXFSPKLBKCXSMF-MRVPVSSYSA-N 1 0 238.640 2.317 10 0 BEAERO N[C@H](C[NH3+])c1ccccc1SC(F)(F)F ZINC000072201339 343069435 /nfs/dbraw/zinc/06/94/35/343069435.db2.gz ZENJBZAFZFWBKJ-SSDOTTSWSA-N 1 0 236.262 2.257 10 0 BEAERO CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000119220557 343069597 /nfs/dbraw/zinc/06/95/97/343069597.db2.gz OLCGLYXESLRABC-KXUCPTDWSA-N 1 0 239.281 2.468 10 0 BEAERO COc1cc([C@H]2CCC[NH2+]2)cc(Cl)c1O ZINC000072202429 343071628 /nfs/dbraw/zinc/07/16/28/343071628.db2.gz BCSMAWNZVNCTDC-SECBINFHSA-N 1 0 227.691 2.479 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[Si]2(CCCC2)C[NH2+]1 ZINC000584881675 343082713 /nfs/dbraw/zinc/08/27/13/343082713.db2.gz ZDEXIQVWWSXHHF-SNVBAGLBSA-N 1 0 241.407 2.082 10 0 BEAERO Nc1c[nH+]c2ccc(N3CCCCC3)cc2c1N ZINC000584882017 343083326 /nfs/dbraw/zinc/08/33/26/343083326.db2.gz IQIGZUCOQHXJQA-UHFFFAOYSA-N 1 0 242.326 2.220 10 0 BEAERO Nc1ccccc1SC[C@@H]1CCC[NH2+]1 ZINC000043497501 343092189 /nfs/dbraw/zinc/09/21/89/343092189.db2.gz CNYQQUKKBUXJAI-VIFPVBQESA-N 1 0 208.330 2.113 10 0 BEAERO CC[C@@]1([NH+]2CCNCC2)C[C@H](C)C[C@H](C)C1 ZINC000584882527 343084996 /nfs/dbraw/zinc/08/49/96/343084996.db2.gz NBCPYTORIMPPAX-BTTYYORXSA-N 1 0 224.392 2.497 10 0 BEAERO CCC1([NH+]2CCNCC2)C[C@H](C)C[C@@H](C)C1 ZINC000584882528 343085144 /nfs/dbraw/zinc/08/51/44/343085144.db2.gz NBCPYTORIMPPAX-CHWSQXEVSA-N 1 0 224.392 2.497 10 0 BEAERO CNc1c(N)c[nH+]c2c1cccc2C(C)C ZINC000584882899 343085633 /nfs/dbraw/zinc/08/56/33/343085633.db2.gz ZDAYXFLFGBEYEX-UHFFFAOYSA-N 1 0 215.300 2.404 10 0 BEAERO C[NH2+]Cc1cc(C)c(Cl)nc1Cl ZINC000145073797 343090688 /nfs/dbraw/zinc/09/06/88/343090688.db2.gz AZOYOTYMYGHYKY-UHFFFAOYSA-N 1 0 205.088 2.416 10 0 BEAERO CCOC(=O)C[C@H](C[NH3+])C1CCCCC1 ZINC000260639583 343077460 /nfs/dbraw/zinc/07/74/60/343077460.db2.gz ZJMXWVKFECOFQL-LLVKDONJSA-N 1 0 213.321 2.095 10 0 BEAERO [NH3+][C@@H]1CCOc2cc(OC(F)(F)F)ccc21 ZINC000217955199 343077470 /nfs/dbraw/zinc/07/74/70/343077470.db2.gz SEOUBRKETCCMIL-MRVPVSSYSA-N 1 0 233.189 2.368 10 0 BEAERO CCOC(C[C@H]1CCC[N@H+](C)C1)OCC ZINC000043503192 343098975 /nfs/dbraw/zinc/09/89/75/343098975.db2.gz LGWPJSUFWGBZCR-LLVKDONJSA-N 1 0 215.337 2.117 10 0 BEAERO CC(C)(C)[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000044177672 187232122 /nfs/dbraw/zinc/23/21/22/187232122.db2.gz XZTVKXLLPWCRJM-RWMBFGLXSA-N 1 0 241.375 2.037 10 0 BEAERO COc1cc(C[C@@H](C)[NH3+])c(OC)cc1CCF ZINC000027213550 343114374 /nfs/dbraw/zinc/11/43/74/343114374.db2.gz QLENKWFQUHHBKZ-SECBINFHSA-N 1 0 241.306 2.106 10 0 BEAERO C[C@@H](Oc1cccc(Br)c1)C(N)=[NH2+] ZINC000043515673 343116114 /nfs/dbraw/zinc/11/61/14/343116114.db2.gz KSVNOFHIFZIZHO-ZCFIWIBFSA-N 1 0 243.104 2.152 10 0 BEAERO C[C@@H](C(N)=S)[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000043514419 343116607 /nfs/dbraw/zinc/11/66/07/343116607.db2.gz SNEBMEIBHVUGFG-UTLUCORTSA-N 1 0 214.378 2.172 10 0 BEAERO CCC[C@@H](NC(=O)[C@@H](C)[NH2+]C)c1ccccc1 ZINC000049753052 343116918 /nfs/dbraw/zinc/11/69/18/343116918.db2.gz CTHGNDLKDDRCBM-DGCLKSJQSA-N 1 0 234.343 2.252 10 0 BEAERO CC[NH2+][C@@H]1CCc2cccc(OC)c2C1 ZINC000039310964 343123912 /nfs/dbraw/zinc/12/39/12/343123912.db2.gz BOGGTGDIOROWLJ-LLVKDONJSA-N 1 0 205.301 2.162 10 0 BEAERO c1cc(C2CC[NH+](CC3CCOCC3)CC2)n[nH]1 ZINC000171826988 343131110 /nfs/dbraw/zinc/13/11/10/343131110.db2.gz HUTLAMBBMSFTQY-UHFFFAOYSA-N 1 0 249.358 2.016 10 0 BEAERO CC[C@@H](C(N)=S)[N@H+](C)Cc1ccccc1 ZINC000043539418 343132282 /nfs/dbraw/zinc/13/22/82/343132282.db2.gz IIBRYVHKQWIWKG-NSHDSACASA-N 1 0 222.357 2.183 10 0 BEAERO c1cc2n(c1)[C@H]1CCCC[C@H]1NC21CC[NH2+]CC1 ZINC000144315100 343132692 /nfs/dbraw/zinc/13/26/92/343132692.db2.gz VIIBZNSRDLMKHQ-OLZOCXBDSA-N 1 0 245.370 2.154 10 0 BEAERO CC[C@@H]1CS[C@@]2(CCCC[C@@H]2OC)[NH2+]1 ZINC000233939701 343136839 /nfs/dbraw/zinc/13/68/39/343136839.db2.gz NHZRZSIMVRSLDK-OUAUKWLOSA-N 1 0 215.362 2.387 10 0 BEAERO OC1(C[NH2+]Cc2ccn(C3CCCC3)n2)CCC1 ZINC000127403205 343178103 /nfs/dbraw/zinc/17/81/03/343178103.db2.gz KUNLSMJHLWQYHP-UHFFFAOYSA-N 1 0 249.358 2.003 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2cc[nH]c2)C[C@H](C)O1 ZINC000282154752 187241299 /nfs/dbraw/zinc/24/12/99/187241299.db2.gz HXUUFNGDQWIQOF-QWRGUYRKSA-N 1 0 222.332 2.308 10 0 BEAERO C[N@H+](Cc1cccc2c1NCC2)C1CCOCC1 ZINC000130497641 343181418 /nfs/dbraw/zinc/18/14/18/343181418.db2.gz GARXEPGXEFOEKR-UHFFFAOYSA-N 1 0 246.354 2.265 10 0 BEAERO CC(C)(C)Sc1cccnc1C(N)=[NH2+] ZINC000130946888 343182678 /nfs/dbraw/zinc/18/26/78/343182678.db2.gz QXIMHRYKQAICGX-UHFFFAOYSA-N 1 0 209.318 2.256 10 0 BEAERO CN(CC(C)(C)C[NH3+])c1ncnc2ccccc21 ZINC000093874677 343151844 /nfs/dbraw/zinc/15/18/44/343151844.db2.gz DTGKRGVTELUDBL-UHFFFAOYSA-N 1 0 244.342 2.051 10 0 BEAERO CC1(C)CCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000094327567 343156187 /nfs/dbraw/zinc/15/61/87/343156187.db2.gz ZYJRVNVHQVYYBI-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO COc1ccc(CNc2cc(N)cc[nH+]2)cc1 ZINC000043568338 343172586 /nfs/dbraw/zinc/17/25/86/343172586.db2.gz LBEPGIYAMBKQAH-UHFFFAOYSA-N 1 0 229.283 2.285 10 0 BEAERO Nc1cc[nH+]c(N2CCC[C@H]2c2cccnc2)c1 ZINC000043568961 343174229 /nfs/dbraw/zinc/17/42/29/343174229.db2.gz XFBAOQSKYHDDGQ-ZDUSSCGKSA-N 1 0 240.310 2.400 10 0 BEAERO CC(C)(O)[C@@H]([NH3+])CCC(F)(F)C(F)(F)F ZINC000145645286 343198206 /nfs/dbraw/zinc/19/82/06/343198206.db2.gz WMYXEBSSAUGZFV-YFKPBYRVSA-N 1 0 235.196 2.062 10 0 BEAERO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)C1CC1 ZINC000165256280 343210848 /nfs/dbraw/zinc/21/08/48/343210848.db2.gz ZZVNWFJFXNXCOG-JTQLQIEISA-N 1 0 219.332 2.036 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc2ccccc2o1 ZINC000165731045 343212272 /nfs/dbraw/zinc/21/22/72/343212272.db2.gz NUMRTJXESLFDQC-RKDXNWHRSA-N 1 0 219.288 2.366 10 0 BEAERO Cc1ccc(C)c([S@@](=O)C2CC[NH2+]CC2)c1 ZINC000083308243 178503343 /nfs/dbraw/zinc/50/33/43/178503343.db2.gz QQJFBKOPDYUDMO-MRXNPFEDSA-N 1 0 237.368 2.163 10 0 BEAERO CC(C)[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000309317521 343221355 /nfs/dbraw/zinc/22/13/55/343221355.db2.gz ZIQWIISAXPBXIE-AWEZNQCLSA-N 1 0 218.344 2.201 10 0 BEAERO CC[C@H]1CCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000133133591 343190032 /nfs/dbraw/zinc/19/00/32/343190032.db2.gz IHTAROQYDHGKBA-RYUDHWBXSA-N 1 0 211.349 2.317 10 0 BEAERO CC1(C)[C@@H]([NH2+]C[C@@H]2CCCS2)[C@@H]2CCO[C@@H]21 ZINC000087667993 136282111 /nfs/dbraw/zinc/28/21/11/136282111.db2.gz ADFXFZUBXMBRGZ-BJDJZHNGSA-N 1 0 241.400 2.285 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCCS2)[C@@H]2CCO[C@@H]21 ZINC000087667992 136282178 /nfs/dbraw/zinc/28/21/78/136282178.db2.gz ADFXFZUBXMBRGZ-YFKTTZPYSA-N 1 0 241.400 2.285 10 0 BEAERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH3+] ZINC000011957866 187250901 /nfs/dbraw/zinc/25/09/01/187250901.db2.gz BPEGXLVMGOSTGK-VIFPVBQESA-N 1 0 220.316 2.097 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](CCC1CC1)CC2 ZINC000088023482 136283691 /nfs/dbraw/zinc/28/36/91/136283691.db2.gz FGIPUCAFIZMHPC-KBPBESRZSA-N 1 0 223.360 2.414 10 0 BEAERO CC(C)[C@H](C)N(C)c1ccc(C[NH3+])cn1 ZINC000036786380 187249471 /nfs/dbraw/zinc/24/94/71/187249471.db2.gz VFNLRBXRBIAPEB-JTQLQIEISA-N 1 0 207.321 2.021 10 0 BEAERO CC[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C(C)C ZINC000043591468 343241958 /nfs/dbraw/zinc/24/19/58/343241958.db2.gz IVEQHBUGSUBMPZ-OLZOCXBDSA-N 1 0 240.391 2.317 10 0 BEAERO C[C@H]1CO[C@H](c2ccc(F)cc2F)C[NH2+]1 ZINC000036673483 187250016 /nfs/dbraw/zinc/25/00/16/187250016.db2.gz LTDZVKIZVJJDGO-CPCISQLKSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(N)=O ZINC000035138728 343286465 /nfs/dbraw/zinc/28/64/65/343286465.db2.gz KYZODSVXKZPITE-GHMZBOCLSA-N 1 0 242.322 2.364 10 0 BEAERO C[C@@H](C[NH3+])c1cnc2ccc(Cl)cn21 ZINC000033507409 343255936 /nfs/dbraw/zinc/25/59/36/343255936.db2.gz REXKGMNJJBVTLL-ZETCQYMHSA-N 1 0 209.680 2.050 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000033867559 343262050 /nfs/dbraw/zinc/26/20/50/343262050.db2.gz DAZNTCWAWDDQMO-UONOGXRCSA-N 1 0 219.328 2.206 10 0 BEAERO OC[C@H]1C[C@H]([NH2+]CC2CC2)c2ccccc21 ZINC000376958217 187254048 /nfs/dbraw/zinc/25/40/48/187254048.db2.gz OKACOYGNDXXMRZ-RISCZKNCSA-N 1 0 217.312 2.207 10 0 BEAERO CC(C)([NH3+])COc1ccc(F)c(F)c1 ZINC000020398543 187254051 /nfs/dbraw/zinc/25/40/51/187254051.db2.gz JDIZOJPPBYNHDG-UHFFFAOYSA-N 1 0 201.216 2.081 10 0 BEAERO CCOc1cc(C[C@@H]([NH3+])CC)ccc1O ZINC000036778908 343323864 /nfs/dbraw/zinc/32/38/64/343323864.db2.gz AQCBTOLQODMENC-JTQLQIEISA-N 1 0 209.289 2.071 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1F ZINC000020472606 187254325 /nfs/dbraw/zinc/25/43/25/187254325.db2.gz RELIEVVWVIOYHS-JTQLQIEISA-N 1 0 244.697 2.401 10 0 BEAERO CC(C)(C)c1ccccc1OC[C@@H](O)CC[NH3+] ZINC000020399791 187254409 /nfs/dbraw/zinc/25/44/09/187254409.db2.gz MBGPEOSOXVWOQD-NSHDSACASA-N 1 0 237.343 2.073 10 0 BEAERO [NH3+]Cc1ccccc1Cn1cc(Cl)cn1 ZINC000038053382 187254801 /nfs/dbraw/zinc/25/48/01/187254801.db2.gz CBZDFOSNPCAFCB-UHFFFAOYSA-N 1 0 221.691 2.044 10 0 BEAERO CC[NH2+]CCCNc1nc2ccccc2nc1C ZINC000052099565 343300083 /nfs/dbraw/zinc/30/00/83/343300083.db2.gz XBPHGROPHUIKGT-UHFFFAOYSA-N 1 0 244.342 2.350 10 0 BEAERO Cc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000002545016 178511606 /nfs/dbraw/zinc/51/16/06/178511606.db2.gz UCPKZOCZIJALQQ-PBWFPOADSA-N 1 0 217.312 2.097 10 0 BEAERO Cc1ccsc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049509 343368028 /nfs/dbraw/zinc/36/80/28/343368028.db2.gz JMFGJKFNLWQQCL-ZJUUUORDSA-N 1 0 238.356 2.056 10 0 BEAERO CC(C)(C)c1csc2ncc(C[NH3+])n12 ZINC000031973637 187256245 /nfs/dbraw/zinc/25/62/45/187256245.db2.gz NNSRODVHEBUBQO-UHFFFAOYSA-N 1 0 209.318 2.152 10 0 BEAERO CCN(CC(C)C)C(=O)C1CCC([NH3+])CC1 ZINC000037655103 343350784 /nfs/dbraw/zinc/35/07/84/343350784.db2.gz RBWFRROTFAWSPB-UHFFFAOYSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)(C)OC(=O)C1([NH3+])CCCCCC1 ZINC000037729930 343353111 /nfs/dbraw/zinc/35/31/11/343353111.db2.gz XIECZSSEKAJTBX-UHFFFAOYSA-N 1 0 213.321 2.380 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)CO ZINC000035603617 187257910 /nfs/dbraw/zinc/25/79/10/187257910.db2.gz OVEVDEOBJBFKSD-MROQNXINSA-N 1 0 213.365 2.418 10 0 BEAERO CC(C)[C@H](C)[N@H+](C)[C@@H]1COc2ccccc2[C@@H]1N ZINC000036787138 187258700 /nfs/dbraw/zinc/25/87/00/187258700.db2.gz LHYHBBTVKBRCLC-LNSITVRQSA-N 1 0 248.370 2.424 10 0 BEAERO CC(C)[C@H](C)[N@H+](C)Cc1ccc(O)c(N)c1 ZINC000036786396 187258735 /nfs/dbraw/zinc/25/87/35/187258735.db2.gz PHZNFRIGDXFXDI-JTQLQIEISA-N 1 0 222.332 2.451 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892135 187258830 /nfs/dbraw/zinc/25/88/30/187258830.db2.gz ONKMMMAISPUJCQ-SECBINFHSA-N 1 0 220.272 2.167 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1nnc2n1CCCCC2 ZINC000036896156 187258971 /nfs/dbraw/zinc/25/89/71/187258971.db2.gz CNHZMSLDGUISMT-SNVBAGLBSA-N 1 0 222.336 2.050 10 0 BEAERO C[NH2+]Cc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000034825280 187257539 /nfs/dbraw/zinc/25/75/39/187257539.db2.gz AOXUZMDUIUZCQX-UHFFFAOYSA-N 1 0 233.290 2.348 10 0 BEAERO CC(C)C[C@@H](C)N(C)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037807375 187261071 /nfs/dbraw/zinc/26/10/71/187261071.db2.gz OBOSXILGHYDXTK-ZWNOBZJWSA-N 1 0 226.364 2.007 10 0 BEAERO CCOc1cccc2c1CC[N@H+](CC)C2 ZINC000039099352 343382986 /nfs/dbraw/zinc/38/29/86/343382986.db2.gz PUUPYFBAFLZEFW-UHFFFAOYSA-N 1 0 205.301 2.463 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819562 187261129 /nfs/dbraw/zinc/26/11/29/187261129.db2.gz CEQWWQQULNPMMY-WCQYABFASA-N 1 0 249.358 2.052 10 0 BEAERO CCc1cc(CC)nc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000310305097 343423268 /nfs/dbraw/zinc/42/32/68/343423268.db2.gz OSRBYVNMOSGENB-ZJUUUORDSA-N 1 0 236.363 2.139 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819565 187261243 /nfs/dbraw/zinc/26/12/43/187261243.db2.gz CEQWWQQULNPMMY-YPMHNXCESA-N 1 0 249.358 2.052 10 0 BEAERO COc1ccc([C@@H](N)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000037910620 187261276 /nfs/dbraw/zinc/26/12/76/187261276.db2.gz AYUFRIVTCKTYRI-FZMZJTMJSA-N 1 0 234.343 2.179 10 0 BEAERO CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)c1cc[nH]n1 ZINC000037908277 187260668 /nfs/dbraw/zinc/26/06/68/187260668.db2.gz SWQMOERHAUOFRE-NEPJUHHUSA-N 1 0 238.379 2.037 10 0 BEAERO OC1(CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000335678492 136319578 /nfs/dbraw/zinc/31/95/78/136319578.db2.gz IRBQWMUDCOGUHN-NWDGAFQWSA-N 1 0 241.400 2.261 10 0 BEAERO CC(C)([NH3+])c1cn(CCCC2CCC2)nn1 ZINC000641090013 362215388 /nfs/dbraw/zinc/21/53/88/362215388.db2.gz YDUOLFQRDTZFSE-UHFFFAOYSA-N 1 0 222.336 2.052 10 0 BEAERO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042956390 343459585 /nfs/dbraw/zinc/45/95/85/343459585.db2.gz WMCBXGLHDYAABK-OIBJUYFYSA-N 1 0 244.132 2.484 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1ncccc1F ZINC000082592981 343450157 /nfs/dbraw/zinc/45/01/57/343450157.db2.gz RLFQQQKYWSKZNR-SECBINFHSA-N 1 0 211.284 2.006 10 0 BEAERO Cc1cccc(CC[NH2+]Cc2ccnc(C)n2)c1 ZINC000054790914 136372989 /nfs/dbraw/zinc/37/29/89/136372989.db2.gz FHVFOSMWUOEYEO-UHFFFAOYSA-N 1 0 241.338 2.426 10 0 BEAERO Cc1cccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258983184 136374031 /nfs/dbraw/zinc/37/40/31/136374031.db2.gz AUTMTDPPELWKQF-ZDUSSCGKSA-N 1 0 246.354 2.194 10 0 BEAERO CC(C)(C)CCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000258965725 136374249 /nfs/dbraw/zinc/37/42/49/136374249.db2.gz CISZTMCAUMSVPA-NSHDSACASA-N 1 0 240.391 2.399 10 0 BEAERO C[C@@H](C[NH3+])CNc1nc2ccccc2s1 ZINC000083387520 343480083 /nfs/dbraw/zinc/48/00/83/343480083.db2.gz SEAPWUMSXXBSQP-QMMMGPOBSA-N 1 0 221.329 2.303 10 0 BEAERO CC[NH2+]CCCNc1nc(C)c(C)s1 ZINC000083533058 343490561 /nfs/dbraw/zinc/49/05/61/343490561.db2.gz ZYANEXKWKLRXGB-UHFFFAOYSA-N 1 0 213.350 2.171 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000308953578 346943289 /nfs/dbraw/zinc/94/32/89/346943289.db2.gz YKVHLJSKVFIJGO-ZDEQEGDKSA-N 1 0 210.365 2.105 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2cccc(OC)c2)C1 ZINC000616660454 343532777 /nfs/dbraw/zinc/53/27/77/343532777.db2.gz NAYDIOZZGWPVMC-CYBMUJFWSA-N 1 0 235.327 2.131 10 0 BEAERO CC[C@@H](C)[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944766 343536223 /nfs/dbraw/zinc/53/62/23/343536223.db2.gz UQCUABXSDPSPPK-LLVKDONJSA-N 1 0 244.342 2.370 10 0 BEAERO CC[C@H]([NH3+])Cc1ncccc1Br ZINC000044409509 343499755 /nfs/dbraw/zinc/49/97/55/343499755.db2.gz DDDHLZDZJSCYRV-ZETCQYMHSA-N 1 0 229.121 2.124 10 0 BEAERO Cc1ccc(CN(C)CC[NH+]2CCCC2)cc1N ZINC000063054396 178547553 /nfs/dbraw/zinc/54/75/53/178547553.db2.gz LSMGRYOXIKWUQL-UHFFFAOYSA-N 1 0 247.386 2.105 10 0 BEAERO C[NH2+][C@H]1CC[C@H](Sc2nc(C)co2)C1 ZINC000234496881 343556015 /nfs/dbraw/zinc/55/60/15/343556015.db2.gz GYRZCKRSPYDFDY-IUCAKERBSA-N 1 0 212.318 2.216 10 0 BEAERO [NH3+]Cc1ccccc1Oc1cccc(CO)c1 ZINC000043474700 187266807 /nfs/dbraw/zinc/26/68/07/187266807.db2.gz UUEAOMGYCHPPPH-UHFFFAOYSA-N 1 0 229.279 2.430 10 0 BEAERO Cc1n[nH]c(C)c1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712501283 537787834 /nfs/dbraw/zinc/78/78/34/537787834.db2.gz XYDRPRPJZLNCCE-NSHDSACASA-N 1 0 233.340 2.323 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042973269 187266835 /nfs/dbraw/zinc/26/68/35/187266835.db2.gz DIXSPQDYOQQGGN-LBPRGKRZSA-N 1 0 233.290 2.133 10 0 BEAERO c1cc2c(s1)[C@@]1(CO[C@@H](C3CC3)C1)[NH2+]CC2 ZINC000712523761 537788741 /nfs/dbraw/zinc/78/87/41/537788741.db2.gz SMZVVGQKYRCZRW-DGCLKSJQSA-N 1 0 235.352 2.288 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000042592421 187266578 /nfs/dbraw/zinc/26/65/78/187266578.db2.gz ONDPCASXMFRQBL-QWHCGFSZSA-N 1 0 240.391 2.412 10 0 BEAERO CC(C)([NH3+])c1noc(-c2ccc(F)cc2)n1 ZINC000041052846 187264632 /nfs/dbraw/zinc/26/46/32/187264632.db2.gz ISETZDPAVDVQRP-UHFFFAOYSA-N 1 0 221.235 2.070 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000379754008 343617000 /nfs/dbraw/zinc/61/70/00/343617000.db2.gz QQNIFNWGXGXMNW-CHWSQXEVSA-N 1 0 209.333 2.380 10 0 BEAERO CC[C@H]1C[C@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712522516 537790887 /nfs/dbraw/zinc/79/08/87/537790887.db2.gz KBFUDUANZCTCLQ-CMPLNLGQSA-N 1 0 223.341 2.288 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1ccccc1C ZINC000043038030 187267185 /nfs/dbraw/zinc/26/71/85/187267185.db2.gz UTIMJICWXQOQJS-ZDUSSCGKSA-N 1 0 229.327 2.302 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000083264303 187267198 /nfs/dbraw/zinc/26/71/98/187267198.db2.gz YEWKCPYOLPEGNA-QWRGUYRKSA-N 1 0 231.698 2.496 10 0 BEAERO C[C@@H]1CC[C@@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712542743 537793423 /nfs/dbraw/zinc/79/34/23/537793423.db2.gz NSJCWWHECAXZTC-SKDRFNHKSA-N 1 0 223.341 2.288 10 0 BEAERO CO[C@H](C)[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712553343 537793645 /nfs/dbraw/zinc/79/36/45/537793645.db2.gz QNGKNLHYZHEMHY-KCJUWKMLSA-N 1 0 211.330 2.144 10 0 BEAERO CN1C[C@]2(CC1(C)C)[NH2+]CCc1ccsc12 ZINC000712522136 537789837 /nfs/dbraw/zinc/78/98/37/537789837.db2.gz GQRLMBLNNDYPIE-ZDUSSCGKSA-N 1 0 236.384 2.203 10 0 BEAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(C)C)C1 ZINC000319595335 343640795 /nfs/dbraw/zinc/64/07/95/343640795.db2.gz VWHXLLHWFATILT-RYUDHWBXSA-N 1 0 227.348 2.306 10 0 BEAERO Cc1ccc(C[NH3+])c(Sc2ncccn2)c1 ZINC000051581492 178562066 /nfs/dbraw/zinc/56/20/66/178562066.db2.gz JZUHRHIZNMBATL-UHFFFAOYSA-N 1 0 231.324 2.395 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000054686285 343690116 /nfs/dbraw/zinc/69/01/16/343690116.db2.gz YDPSQGSLHHJFJC-GJZGRUSLSA-N 1 0 245.297 2.429 10 0 BEAERO COc1ccc([C@@H]([NH3+])[C@H]2CCOC2)cc1C ZINC000048623311 187269591 /nfs/dbraw/zinc/26/95/91/187269591.db2.gz GSTFYRUGDQXGRM-WCQYABFASA-N 1 0 221.300 2.040 10 0 BEAERO C1=[NH+]c2cc3cc4c(cc3cc2=C1)SCN=4 ZINC000045236129 187269732 /nfs/dbraw/zinc/26/97/32/187269732.db2.gz JWOOZLFGZZGGCW-UHFFFAOYSA-N 1 0 224.288 2.019 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1NC(=O)CC1CC1 ZINC000049728876 187270229 /nfs/dbraw/zinc/27/02/29/187270229.db2.gz HURIOUOVFGACFT-SECBINFHSA-N 1 0 218.300 2.445 10 0 BEAERO Cc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C)cc1 ZINC000294988153 178571085 /nfs/dbraw/zinc/57/10/85/178571085.db2.gz KJDXTWUCCJFWRD-OCCSQVGLSA-N 1 0 219.328 2.340 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](N(C)Cc2ccccc2)C1 ZINC000401832736 343735083 /nfs/dbraw/zinc/73/50/83/343735083.db2.gz JLZZTIWHHRYUPG-JSGCOSHPSA-N 1 0 218.344 2.116 10 0 BEAERO C[C@@H](C[NH3+])Nc1ccc(Br)cc1F ZINC000235107881 343744894 /nfs/dbraw/zinc/74/48/94/343744894.db2.gz ZORGJRQFINGYDV-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO COc1cc(C)cc(OC)c1[C@H]1CCC[NH2+]1 ZINC000309558658 343745290 /nfs/dbraw/zinc/74/52/90/343745290.db2.gz PHPUDDGQMKAPNX-SNVBAGLBSA-N 1 0 221.300 2.437 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090622 187271984 /nfs/dbraw/zinc/27/19/84/187271984.db2.gz PXSMOEMIFNFTLC-AVGNSLFASA-N 1 0 240.391 2.397 10 0 BEAERO Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054290365 187272095 /nfs/dbraw/zinc/27/20/95/187272095.db2.gz IUUYMWUXPWNLAX-CQSZACIVSA-N 1 0 246.354 2.001 10 0 BEAERO CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055147564 187272250 /nfs/dbraw/zinc/27/22/50/187272250.db2.gz QZXQJPAIDLVEOG-RWMBFGLXSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)Cn1cnnc1C1([NH3+])CCCCC1 ZINC000054526126 187272579 /nfs/dbraw/zinc/27/25/79/187272579.db2.gz QNZSCRFAHLKUHD-UHFFFAOYSA-N 1 0 222.336 2.052 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)C(C)(C)C ZINC000309092160 346963902 /nfs/dbraw/zinc/96/39/02/346963902.db2.gz CMROAHRSDPMFQV-WISYIIOYSA-N 1 0 211.349 2.293 10 0 BEAERO c1cc2c(ccnc2NC2CC[NH2+]CC2)s1 ZINC000035687664 343779598 /nfs/dbraw/zinc/77/95/98/343779598.db2.gz PUNLQEIAAXESHF-UHFFFAOYSA-N 1 0 233.340 2.460 10 0 BEAERO CCCn1cnnc1[C@]1(CCC)CCC[NH2+]C1 ZINC000062872739 187273804 /nfs/dbraw/zinc/27/38/04/187273804.db2.gz RZYDZLYUCKONRN-CYBMUJFWSA-N 1 0 236.363 2.109 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccco2)no1 ZINC000109508518 343786329 /nfs/dbraw/zinc/78/63/29/343786329.db2.gz LVTBYLIFINBTGD-DTWKUNHWSA-N 1 0 233.271 2.185 10 0 BEAERO Cn1nc([C@H]2CCCC[NH2+]2)c2c1CCCC2 ZINC000215731262 343792705 /nfs/dbraw/zinc/79/27/05/343792705.db2.gz PZUQSGSURYAABT-LLVKDONJSA-N 1 0 219.332 2.114 10 0 BEAERO CC(C)=CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000063189167 187273568 /nfs/dbraw/zinc/27/35/68/187273568.db2.gz AAHQNHBZKFGUHF-CHWSQXEVSA-N 1 0 236.359 2.086 10 0 BEAERO Cc1cc(N)c[nH+]c1N[C@@H](CO)c1ccccc1 ZINC000063000936 187273628 /nfs/dbraw/zinc/27/36/28/187273628.db2.gz YOFOMPJTBCYXPZ-ZDUSSCGKSA-N 1 0 243.310 2.118 10 0 BEAERO C=Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000409423924 343816805 /nfs/dbraw/zinc/81/68/05/343816805.db2.gz RPGFGXSNVWRYRT-CQSZACIVSA-N 1 0 217.312 2.286 10 0 BEAERO C=Cc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000409424060 343816891 /nfs/dbraw/zinc/81/68/91/343816891.db2.gz SQDJCJMQEVVYDU-CQSZACIVSA-N 1 0 216.328 2.253 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000072201857 343823104 /nfs/dbraw/zinc/82/31/04/343823104.db2.gz RBSUEOUVNPAGKH-LBPRGKRZSA-N 1 0 204.273 2.070 10 0 BEAERO Cc1nc(N2[C@@H](C)CCC[C@@H]2C)cc(N)[nH+]1 ZINC000409431364 343823151 /nfs/dbraw/zinc/82/31/51/343823151.db2.gz POUITQNBOMVVCO-IUCAKERBSA-N 1 0 220.320 2.135 10 0 BEAERO C[C@@H]1CCC[C@H]1NC(=O)C1CCC(C[NH3+])CC1 ZINC000071211891 187275440 /nfs/dbraw/zinc/27/54/40/187275440.db2.gz MDQPAOLQAQAQOP-IKWCTNDRSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1C[C@H](c2ccc3c(c2)OCCCO3)C[NH2+]1 ZINC000071202242 187275456 /nfs/dbraw/zinc/27/54/56/187275456.db2.gz GGWOKHWUKIWMGH-PWSUYJOCSA-N 1 0 233.311 2.313 10 0 BEAERO C[NH2+]Cc1cccc(OCc2ccccc2)n1 ZINC000051523231 349871690 /nfs/dbraw/zinc/87/16/90/349871690.db2.gz VIMLZNOWNCHIRA-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO CCN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1[NH3+] ZINC000409440657 343852956 /nfs/dbraw/zinc/85/29/56/343852956.db2.gz LZACQZFRYLFSDK-NXEZZACHSA-N 1 0 228.336 2.123 10 0 BEAERO [NH3+]Cc1c(-c2ccncc2)n[nH]c1C1CCC1 ZINC000409439945 343853899 /nfs/dbraw/zinc/85/38/99/343853899.db2.gz LBFDGWOQVURJSA-UHFFFAOYSA-N 1 0 228.299 2.198 10 0 BEAERO FC1(F)[C@@H](C2CCOCC2)C12CC[NH2+]CC2 ZINC000409436709 343836052 /nfs/dbraw/zinc/83/60/52/343836052.db2.gz XBABDYCPPRPOEC-JTQLQIEISA-N 1 0 231.286 2.048 10 0 BEAERO [NH3+]Cc1cc(Cc2ccc(Cl)cc2)ncn1 ZINC000409436714 343836485 /nfs/dbraw/zinc/83/64/85/343836485.db2.gz XHOSJRHZSCJGLF-UHFFFAOYSA-N 1 0 233.702 2.180 10 0 BEAERO C[NH2+]Cc1cn(CC2CC2)nc1C(F)(F)F ZINC000409436964 343841820 /nfs/dbraw/zinc/84/18/20/343841820.db2.gz CSAQLLZTLWBEEE-UHFFFAOYSA-N 1 0 233.237 2.031 10 0 BEAERO C[NH2+]Cc1c(C2CC2)[nH]nc1C(F)(F)F ZINC000409437500 343843598 /nfs/dbraw/zinc/84/35/98/343843598.db2.gz HHCVTCZMVTZWRW-UHFFFAOYSA-N 1 0 219.210 2.025 10 0 BEAERO C[NH2+][C@@H](Cc1cccc(F)c1)c1nccn1C ZINC000069473588 537822585 /nfs/dbraw/zinc/82/25/85/537822585.db2.gz LNSSMHBUKUELQS-LBPRGKRZSA-N 1 0 233.290 2.062 10 0 BEAERO Nc1cc(-c2cccs2)nn1[C@@H]1CCC[NH2+]C1 ZINC000409438576 343844907 /nfs/dbraw/zinc/84/49/07/343844907.db2.gz LWXFVXYHCRMJEI-SECBINFHSA-N 1 0 248.355 2.118 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000409438591 343844998 /nfs/dbraw/zinc/84/49/98/343844998.db2.gz DGDXIQZWVPEOMS-QWRGUYRKSA-N 1 0 229.283 2.331 10 0 BEAERO CC(C)c1[nH]nc(-c2cccnc2)c1CC[NH3+] ZINC000409438776 343845212 /nfs/dbraw/zinc/84/52/12/343845212.db2.gz FWEJWTMAVGXCIJ-UHFFFAOYSA-N 1 0 230.315 2.096 10 0 BEAERO C[N@@H+]1C[C@H](CO)C[C@H]1c1ccccc1Cl ZINC000409438925 343845864 /nfs/dbraw/zinc/84/58/64/343845864.db2.gz FACRMOQYPDSYGX-SKDRFNHKSA-N 1 0 225.719 2.325 10 0 BEAERO [NH3+]Cc1cc(C2CCC2)nc(C2CC2)n1 ZINC000409437906 343849364 /nfs/dbraw/zinc/84/93/64/343849364.db2.gz JEQOQVRJZFLBJC-UHFFFAOYSA-N 1 0 203.289 2.080 10 0 BEAERO CC(C)c1[nH]nc(-c2ccccn2)c1CC[NH3+] ZINC000409438363 343850548 /nfs/dbraw/zinc/85/05/48/343850548.db2.gz DCWMEDSVNFQLJF-UHFFFAOYSA-N 1 0 230.315 2.096 10 0 BEAERO C[NH2+]Cc1cn(CC(C)C)nc1C(F)(F)F ZINC000409440149 343850904 /nfs/dbraw/zinc/85/09/04/343850904.db2.gz SFLFQFOBJQRMNO-UHFFFAOYSA-N 1 0 235.253 2.277 10 0 BEAERO Nc1cc(-c2ccsc2)nn1[C@@H]1CCC[NH2+]C1 ZINC000409440349 343851579 /nfs/dbraw/zinc/85/15/79/343851579.db2.gz SIEQPIMKNBWBEF-SNVBAGLBSA-N 1 0 248.355 2.118 10 0 BEAERO C[NH2+]Cc1c(-c2ccoc2)n[nH]c1C1CC1 ZINC000409440345 343851654 /nfs/dbraw/zinc/85/16/54/343851654.db2.gz MXLCNXVQEVXEJU-UHFFFAOYSA-N 1 0 217.272 2.267 10 0 BEAERO [NH2+]=C(NO)[C@@H](C1CCCC1)n1cccc1 ZINC000409442557 343858574 /nfs/dbraw/zinc/85/85/74/343858574.db2.gz WXNGNOLPPFGDBC-SNVBAGLBSA-N 1 0 207.277 2.175 10 0 BEAERO [NH3+]CCc1cn(CCF)nc1-c1cccs1 ZINC000409441494 343859550 /nfs/dbraw/zinc/85/95/50/343859550.db2.gz YPZNWCFBIKGFRQ-UHFFFAOYSA-N 1 0 239.319 2.082 10 0 BEAERO C[NH2+]Cc1c(C2CC2)[nH]nc1C1CCC1 ZINC000409441763 343861078 /nfs/dbraw/zinc/86/10/78/343861078.db2.gz TYHJFEXTGOYAEQ-UHFFFAOYSA-N 1 0 205.305 2.274 10 0 BEAERO [NH3+]Cc1cc(-c2ccsc2)nn1C(F)F ZINC000409443846 343863375 /nfs/dbraw/zinc/86/33/75/343863375.db2.gz VHZRSOPBYNVLOU-UHFFFAOYSA-N 1 0 229.255 2.465 10 0 BEAERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000084223358 178613381 /nfs/dbraw/zinc/61/33/81/178613381.db2.gz BAMGMULBPYFZCD-ZIAGYGMSSA-N 1 0 219.328 2.246 10 0 BEAERO CC[NH+]1CCC(c2cccc(N)c2)CC1 ZINC000220074147 343918055 /nfs/dbraw/zinc/91/80/55/343918055.db2.gz MDQKZTOTPUEWRK-UHFFFAOYSA-N 1 0 204.317 2.468 10 0 BEAERO [NH3+][C@@]1(CCc2ccsc2)CCCOC1 ZINC000070012769 343946562 /nfs/dbraw/zinc/94/65/62/343946562.db2.gz MVSMXIGMTDGPGO-LLVKDONJSA-N 1 0 211.330 2.189 10 0 BEAERO [NH3+][C@]1(Cc2ccc(Cl)s2)CCCOC1 ZINC000070012644 343946733 /nfs/dbraw/zinc/94/67/33/343946733.db2.gz IMRJVNRFWSBOEQ-JTQLQIEISA-N 1 0 231.748 2.452 10 0 BEAERO CC(C)[C@H](CC[NH3+])C(=O)N[C@H](C)c1ccccc1 ZINC000076634160 187280041 /nfs/dbraw/zinc/28/00/41/187280041.db2.gz JNLPGLGAEOUZKN-OCCSQVGLSA-N 1 0 248.370 2.485 10 0 BEAERO CC(C)C[C@@H](CC[NH3+])C(=O)NC1CCCCC1 ZINC000076622347 187280046 /nfs/dbraw/zinc/28/00/46/187280046.db2.gz GWNTUSXKLKTPRT-GFCCVEGCSA-N 1 0 240.391 2.446 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H](Sc2ncco2)C1 ZINC000234424885 343965926 /nfs/dbraw/zinc/96/59/26/343965926.db2.gz DWBIYYJRDXPSER-BDAKNGLRSA-N 1 0 212.318 2.297 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)s1 ZINC000050225471 178624689 /nfs/dbraw/zinc/62/46/89/178624689.db2.gz VBNZKBNUWNBSTE-NEPJUHHUSA-N 1 0 225.357 2.450 10 0 BEAERO Cc1cc(Cl)cc([C@H]2COCC[NH2+]2)c1 ZINC000215597597 349900861 /nfs/dbraw/zinc/90/08/61/349900861.db2.gz VDSKRLHDDJSPMY-LLVKDONJSA-N 1 0 211.692 2.309 10 0 BEAERO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C(C)(C)O1 ZINC000094423781 537839341 /nfs/dbraw/zinc/83/93/41/537839341.db2.gz PCPJEARLSLQPMJ-SRVKXCTJSA-N 1 0 241.375 2.226 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(F)cc1 ZINC000128867772 187285828 /nfs/dbraw/zinc/28/58/28/187285828.db2.gz LQXFMZCKDPRGGX-LLVKDONJSA-N 1 0 224.279 2.138 10 0 BEAERO CC(C)(C)OC(=O)CC[N@@H+]1CCCSCC1 ZINC000128876819 187285945 /nfs/dbraw/zinc/28/59/45/187285945.db2.gz JAUFEEDEBWXRJI-UHFFFAOYSA-N 1 0 245.388 2.157 10 0 BEAERO Cc1cc(I)cc(C[NH3+])c1 ZINC000095763934 187287776 /nfs/dbraw/zinc/28/77/76/187287776.db2.gz GWHNVXPLZHXASD-UHFFFAOYSA-N 1 0 247.079 2.058 10 0 BEAERO Cc1ccc(NCC2CCOCC2)cn1 ZINC000096033309 187288565 /nfs/dbraw/zinc/28/85/65/187288565.db2.gz XZCCXBLHLGCSIT-UHFFFAOYSA-N 1 0 206.289 2.229 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000096034597 187288835 /nfs/dbraw/zinc/28/88/35/187288835.db2.gz NYPPQRSVUJQKTO-ZJUUUORDSA-N 1 0 228.336 2.029 10 0 BEAERO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1F ZINC000234596579 344155217 /nfs/dbraw/zinc/15/52/17/344155217.db2.gz GFHGRXMDZWFABT-QPUJVOFHSA-N 1 0 237.274 2.110 10 0 BEAERO COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1F ZINC000234601301 344155766 /nfs/dbraw/zinc/15/57/66/344155766.db2.gz GFHGRXMDZWFABT-UFBFGSQYSA-N 1 0 237.274 2.110 10 0 BEAERO COC(C)(C)C[C@@H]1[NH2+]C[C@H](C)CS1 ZINC000234615385 344156772 /nfs/dbraw/zinc/15/67/72/344156772.db2.gz OPHADAUENBYTOI-DTWKUNHWSA-N 1 0 203.351 2.100 10 0 BEAERO CCC1(C[N@@H+]2CCOC[C@@H](C)C2)CCOCC1 ZINC000336443569 168467900 /nfs/dbraw/zinc/46/79/00/168467900.db2.gz IQPVAZZDPCOAAW-ZDUSSCGKSA-N 1 0 241.375 2.162 10 0 BEAERO C[C@H]1C[C@H]([NH3+])c2nc(C(F)(F)F)ccc2N1 ZINC000218061493 344214377 /nfs/dbraw/zinc/21/43/77/344214377.db2.gz OMBQLJBDANDAIU-WDSKDSINSA-N 1 0 231.221 2.304 10 0 BEAERO Cc1cccc([C@@H](C)CN[C@H]2CC[NH2+]C2)c1 ZINC000215652133 349905476 /nfs/dbraw/zinc/90/54/76/349905476.db2.gz MXELIPCCEYLUOI-JSGCOSHPSA-N 1 0 218.344 2.050 10 0 BEAERO Cc1ccc([C@@H](C)CN[C@H]2CC[NH2+]C2)cc1 ZINC000215652794 349905651 /nfs/dbraw/zinc/90/56/51/349905651.db2.gz UZXQTQYKDAEPGR-JSGCOSHPSA-N 1 0 218.344 2.050 10 0 BEAERO CCC[C@@H](C)C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000131092909 344229460 /nfs/dbraw/zinc/22/94/60/344229460.db2.gz FRMHTFATAARHDN-VXGBXAGGSA-N 1 0 227.348 2.450 10 0 BEAERO COc1cc(C2CC[NH+](C)CC2)ccc1O ZINC000026943593 344206027 /nfs/dbraw/zinc/20/60/27/344206027.db2.gz FHZAJALXLGGOEP-UHFFFAOYSA-N 1 0 221.300 2.210 10 0 BEAERO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH3+] ZINC000085520713 344206278 /nfs/dbraw/zinc/20/62/78/344206278.db2.gz CXYDSYBZISZBRQ-NWDGAFQWSA-N 1 0 205.301 2.329 10 0 BEAERO CCCCCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000232918976 534961611 /nfs/dbraw/zinc/96/16/11/534961611.db2.gz OESNQHZTUPEEMB-RYUDHWBXSA-N 1 0 226.364 2.153 10 0 BEAERO CCC[C@@H](C)C[NH2+]CC(C)(C)CCO ZINC000133301060 344317154 /nfs/dbraw/zinc/31/71/54/344317154.db2.gz KLWUCRXTTVMMNE-LLVKDONJSA-N 1 0 201.354 2.421 10 0 BEAERO CC(C)C1(C[NH2+]Cc2csnn2)CC1 ZINC000133355334 344318810 /nfs/dbraw/zinc/31/88/10/344318810.db2.gz OGPLKZHKQQVROP-UHFFFAOYSA-N 1 0 211.334 2.064 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@H](C)N(CC)CC ZINC000133521672 344319093 /nfs/dbraw/zinc/31/90/93/344319093.db2.gz WGTJHKIPXMENRT-NEPJUHHUSA-N 1 0 200.370 2.352 10 0 BEAERO C[NH2+]Cc1ccc(F)c(Br)c1F ZINC000216972209 344332097 /nfs/dbraw/zinc/33/20/97/344332097.db2.gz WPPDNCBFTUZQOU-UHFFFAOYSA-N 1 0 236.059 2.447 10 0 BEAERO C[C@@H](C[NH3+])C1(O)c2ccccc2-c2ccccc21 ZINC000002018936 362383173 /nfs/dbraw/zinc/38/31/73/362383173.db2.gz AAUPTROTTCYMJN-NSHDSACASA-N 1 0 239.318 2.498 10 0 BEAERO [NH3+][C@@H]1CC[C@H]1c1cnc(C(F)(F)F)s1 ZINC000236290441 344337648 /nfs/dbraw/zinc/33/76/48/344337648.db2.gz AIVAXDCAPLSPMN-RFZPGFLSSA-N 1 0 222.235 2.367 10 0 BEAERO [NH3+][C@@H](CC1OCCO1)c1ccc(Cl)s1 ZINC000236303265 344354650 /nfs/dbraw/zinc/35/46/50/344354650.db2.gz IRRLSCTYFGCXPV-LURJTMIESA-N 1 0 233.720 2.164 10 0 BEAERO [NH3+][C@@H]1C[C@@]12CCc1c2cccc1Br ZINC000236306057 344354671 /nfs/dbraw/zinc/35/46/71/344354671.db2.gz FHPYTRUVDKROCY-GHMZBOCLSA-N 1 0 238.128 2.364 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C=O)o1 ZINC000158062664 344355968 /nfs/dbraw/zinc/35/59/68/344355968.db2.gz RTNCXOAHXBJOAF-VHSXEESVSA-N 1 0 207.273 2.322 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CN1c1cccc(C(F)(F)F)n1 ZINC000385213629 344377354 /nfs/dbraw/zinc/37/73/54/344377354.db2.gz FGAQQNCTPVUAGV-YUMQZZPRSA-N 1 0 245.248 2.026 10 0 BEAERO Cc1ccc(Cl)cc1C[NH2+]CCN(C)C ZINC000083355107 178662340 /nfs/dbraw/zinc/66/23/40/178662340.db2.gz JEINHAWLPIYNEQ-UHFFFAOYSA-N 1 0 226.751 2.300 10 0 BEAERO C[C@@H](CCO)C[NH2+]Cc1ccnc2ccccc12 ZINC000097439368 344397130 /nfs/dbraw/zinc/39/71/30/344397130.db2.gz AYRZMZCCTPAVLW-LBPRGKRZSA-N 1 0 244.338 2.343 10 0 BEAERO [NH3+][C@@H]1CCCc2cn(CC(F)F)cc21 ZINC000135476788 344461782 /nfs/dbraw/zinc/46/17/82/344461782.db2.gz IWQRJRXMIBORBV-SECBINFHSA-N 1 0 200.232 2.089 10 0 BEAERO Cc1cnc(S[C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000042404905 187291093 /nfs/dbraw/zinc/29/10/93/187291093.db2.gz USLULHWQWXCTAX-ZJUUUORDSA-N 1 0 223.345 2.005 10 0 BEAERO CCC[C@]1(NCc2ccccc2)CC[NH2+]C1 ZINC000306926294 344518169 /nfs/dbraw/zinc/51/81/69/344518169.db2.gz PROGGNBRWVTRPZ-AWEZNQCLSA-N 1 0 218.344 2.308 10 0 BEAERO CSC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000381653280 344530824 /nfs/dbraw/zinc/53/08/24/344530824.db2.gz SFVGMBWCUWBDBQ-FRRDWIJNSA-N 1 0 243.416 2.365 10 0 BEAERO F[C@]1(CC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000158097759 344542047 /nfs/dbraw/zinc/54/20/47/344542047.db2.gz ZSEGOSDZCWHESW-QWRGUYRKSA-N 1 0 201.285 2.037 10 0 BEAERO C[C@@H]1C[C@@](O)(c2ccc(Cl)s2)C[N@@H+]1C ZINC000127474308 344545666 /nfs/dbraw/zinc/54/56/66/344545666.db2.gz DBCWRBNEPSGTCV-XCBNKYQSSA-N 1 0 231.748 2.313 10 0 BEAERO Brc1cccc(NCC2C[NH2+]C2)c1 ZINC000217131741 344547999 /nfs/dbraw/zinc/54/79/99/344547999.db2.gz RPXCGTDFMYTNHI-UHFFFAOYSA-N 1 0 241.132 2.080 10 0 BEAERO [NH3+][C@H](C(=O)NCCC1CCCC1)c1ccccc1 ZINC000037740083 344575223 /nfs/dbraw/zinc/57/52/23/344575223.db2.gz QPFOIBRVEFVDIQ-AWEZNQCLSA-N 1 0 246.354 2.383 10 0 BEAERO CC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000111622283 344596590 /nfs/dbraw/zinc/59/65/90/344596590.db2.gz KEQSWBULOSYVGW-GFCCVEGCSA-N 1 0 238.375 2.073 10 0 BEAERO N[n+]1cc2ccccc2cc1C(=O)c1ccccc1 ZINC000000162432 344581761 /nfs/dbraw/zinc/58/17/61/344581761.db2.gz LXILHQQRFXDSJW-UHFFFAOYSA-O 1 0 249.293 2.072 10 0 BEAERO [NH3+][C@@H]1CC[C@@](F)(CC2CCOCC2)C1 ZINC000158286110 344582302 /nfs/dbraw/zinc/58/23/02/344582302.db2.gz RLEHFKCDMHXIBQ-GHMZBOCLSA-N 1 0 201.285 2.023 10 0 BEAERO CC(C)C[C@H](C)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400408732 537853634 /nfs/dbraw/zinc/85/36/34/537853634.db2.gz ROMPDCYJOYENHL-GXSJLCMTSA-N 1 0 207.321 2.279 10 0 BEAERO C[C@@H]1CCC[C@H]([C@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000400389289 537853219 /nfs/dbraw/zinc/85/32/19/537853219.db2.gz JURBAHRKGDTISC-JFGNBEQYSA-N 1 0 219.332 2.423 10 0 BEAERO Cc1ccsc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400409356 537853242 /nfs/dbraw/zinc/85/32/42/537853242.db2.gz VNLGPZLUHDDXCL-JTQLQIEISA-N 1 0 219.313 2.015 10 0 BEAERO CCC[C@@]1(C2CCC2)[NH2+]CCc2nc[nH]c21 ZINC000400406812 537853508 /nfs/dbraw/zinc/85/35/08/537853508.db2.gz QTALTKYMOVPWLH-ZDUSSCGKSA-N 1 0 219.332 2.351 10 0 BEAERO Cc1nc(C)c([C@@H](C)[NH2+]CC[C@@H](C)[NH3+])s1 ZINC000049538813 344651752 /nfs/dbraw/zinc/65/17/52/344651752.db2.gz YOPKNSGAUWFPDR-HTQZYQBOSA-N 1 0 227.377 2.148 10 0 BEAERO C[N@H+](Cc1ccccc1)[C@H]1CCCC1=O ZINC000050132535 344646790 /nfs/dbraw/zinc/64/67/90/344646790.db2.gz CQNKOMMUDNHTQG-LBPRGKRZSA-N 1 0 203.285 2.240 10 0 BEAERO CCn1c([C@@H]([NH3+])C(C)(C)C)nc2cccnc21 ZINC000104310820 187292120 /nfs/dbraw/zinc/29/21/20/187292120.db2.gz FPUSONOMKVQOAU-SNVBAGLBSA-N 1 0 232.331 2.497 10 0 BEAERO CCc1nc(C)c(C)c(NCC2CC[NH2+]CC2)n1 ZINC000045954825 192075492 /nfs/dbraw/zinc/07/54/92/192075492.db2.gz UMIYZOIDHAISKK-UHFFFAOYSA-N 1 0 248.374 2.067 10 0 BEAERO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccccn1 ZINC000127544835 192075567 /nfs/dbraw/zinc/07/55/67/192075567.db2.gz VWLMFORMOTUGEP-AAEUAGOBSA-N 1 0 222.332 2.139 10 0 BEAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400386595 537854844 /nfs/dbraw/zinc/85/48/44/537854844.db2.gz NJUVMKOCGYUMAS-ZWNOBZJWSA-N 1 0 219.332 2.351 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1CCc1nccs1 ZINC000135529361 344742064 /nfs/dbraw/zinc/74/20/64/344742064.db2.gz IHBMLHHEJOVSLZ-NXEZZACHSA-N 1 0 210.346 2.321 10 0 BEAERO Cc1ccc([C@](C)(O)[C@H]2CCC[NH2+]2)s1 ZINC000166194260 344779708 /nfs/dbraw/zinc/77/97/08/344779708.db2.gz PHLRTGXPJJUACN-MWLCHTKSSA-N 1 0 211.330 2.016 10 0 BEAERO CC1([C@@H]2[NH2+]CCc3nc[nH]c32)CCCC1 ZINC000400382893 537855663 /nfs/dbraw/zinc/85/56/63/537855663.db2.gz LUAGTHZYCNEARM-LLVKDONJSA-N 1 0 205.305 2.177 10 0 BEAERO CSC(C)(C)C[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400420405 537857305 /nfs/dbraw/zinc/85/73/05/537857305.db2.gz XISVMZOSAMUQND-SECBINFHSA-N 1 0 225.361 2.128 10 0 BEAERO C[C@@H](C[NH3+])Nc1c(F)cc(F)cc1Cl ZINC000235103545 344788449 /nfs/dbraw/zinc/78/84/49/344788449.db2.gz AHQPOJLMCIPMCQ-YFKPBYRVSA-N 1 0 220.650 2.377 10 0 BEAERO Cc1ccc(SC2CC[NH2+]CC2)c(N)c1 ZINC000043501299 187292708 /nfs/dbraw/zinc/29/27/08/187292708.db2.gz ZRSLUURNZIBCFQ-UHFFFAOYSA-N 1 0 222.357 2.421 10 0 BEAERO FC(F)(F)Oc1ccc(COC2C[NH2+]C2)cc1 ZINC000062809755 347082316 /nfs/dbraw/zinc/08/23/16/347082316.db2.gz AEVJUPIEBLKFQL-UHFFFAOYSA-N 1 0 247.216 2.074 10 0 BEAERO Oc1ccc(SCC2CC[NH2+]CC2)cc1 ZINC000043498248 187293370 /nfs/dbraw/zinc/29/33/70/187293370.db2.gz WHUCAELSIWAZMK-UHFFFAOYSA-N 1 0 223.341 2.484 10 0 BEAERO C[C@@H](C[NH3+])Nc1ccc(F)cc1Br ZINC000235111231 344800682 /nfs/dbraw/zinc/80/06/82/344800682.db2.gz XAGJNOXZZWIKMC-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO CS[C@@H]1CCCC[C@H]1NC1=[NH+]CCS1 ZINC000235177169 344835464 /nfs/dbraw/zinc/83/54/64/344835464.db2.gz KJPWBMMTHAZRID-RKDXNWHRSA-N 1 0 230.402 2.353 10 0 BEAERO Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)nc1 ZINC000019812104 178751540 /nfs/dbraw/zinc/75/15/40/178751540.db2.gz XXVNVEULWOQELZ-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO Cc1ccc(NC2CC[NH2+]CC2)c(C)c1 ZINC000038040464 178756367 /nfs/dbraw/zinc/75/63/67/178756367.db2.gz LIPRCNZKGNXPBK-UHFFFAOYSA-N 1 0 204.317 2.467 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000019482814 178749626 /nfs/dbraw/zinc/74/96/26/178749626.db2.gz NBVNQAZVWXTXKQ-RYUDHWBXSA-N 1 0 232.327 2.322 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2csc(Cl)c2)O1 ZINC000235345106 344889386 /nfs/dbraw/zinc/88/93/86/344889386.db2.gz DNKSKKOOUVBFHE-HTRCEHHLSA-N 1 0 217.721 2.451 10 0 BEAERO Cc1csc([C@@]2([NH3+])CCS[C@H]2C)n1 ZINC000235395779 344901080 /nfs/dbraw/zinc/90/10/80/344901080.db2.gz OAQYDMYYJBOQSI-IONNQARKSA-N 1 0 214.359 2.131 10 0 BEAERO Cc1csc(C[C@@]2(C[NH3+])CCCS2)n1 ZINC000166494762 344908532 /nfs/dbraw/zinc/90/85/32/344908532.db2.gz SOCAOHYQYBTRTA-SNVBAGLBSA-N 1 0 228.386 2.219 10 0 BEAERO O[C@H](C[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000166492106 344908707 /nfs/dbraw/zinc/90/87/07/344908707.db2.gz TZFTTZHWPUMXBT-NXEZZACHSA-N 1 0 211.330 2.314 10 0 BEAERO C[C@H]([NH3+])c1c[nH]c2ncc(Br)cc12 ZINC000235489478 344923756 /nfs/dbraw/zinc/92/37/56/344923756.db2.gz RJPFEDOZAKIBOJ-YFKPBYRVSA-N 1 0 240.104 2.345 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1occc1Br ZINC000235497178 344926161 /nfs/dbraw/zinc/92/61/61/344926161.db2.gz AKUBIZOXDRFJLW-XVMARJQXSA-N 1 0 230.105 2.493 10 0 BEAERO Cc1cccc(CNc2[nH+]ccn2C)c1 ZINC000050605972 187295474 /nfs/dbraw/zinc/29/54/74/187295474.db2.gz YBARXOISPXFBHU-UHFFFAOYSA-N 1 0 201.273 2.341 10 0 BEAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)Oc1ccccc1 ZINC000578765664 344915198 /nfs/dbraw/zinc/91/51/98/344915198.db2.gz JGDBRFYLVLPGIH-NWANDNLSSA-N 1 0 249.354 2.347 10 0 BEAERO C[C@H](C[NH3+])Nc1c(F)cccc1Cl ZINC000235464688 344921016 /nfs/dbraw/zinc/92/10/16/344921016.db2.gz VSZQCUYMBVGCIM-ZCFIWIBFSA-N 1 0 202.660 2.238 10 0 BEAERO C[C@H](C[NH3+])Nc1ccc(Br)cc1F ZINC000235466308 344921348 /nfs/dbraw/zinc/92/13/48/344921348.db2.gz ZORGJRQFINGYDV-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000153789407 344977527 /nfs/dbraw/zinc/97/75/27/344977527.db2.gz QFYXMFFOVBJMRB-MCIONIFRSA-N 1 0 243.391 2.332 10 0 BEAERO CN(Cc1ccccc1)c1cc[nH+]c(NN)c1 ZINC000227680050 344970798 /nfs/dbraw/zinc/97/07/98/344970798.db2.gz HUMKBGXFLNNGKD-UHFFFAOYSA-N 1 0 228.299 2.004 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)O ZINC000131758331 187298541 /nfs/dbraw/zinc/29/85/41/187298541.db2.gz YPLFTNWYFSSQHA-MROQNXINSA-N 1 0 213.365 2.418 10 0 BEAERO COc1ccc([C@@H]([NH3+])CCO)c2ccccc12 ZINC000044232350 344988386 /nfs/dbraw/zinc/98/83/86/344988386.db2.gz HWBVVVKZJLWNHO-ZDUSSCGKSA-N 1 0 231.295 2.231 10 0 BEAERO [NH3+][C@@H](CCO)c1cccc(C(F)(F)F)c1F ZINC000044233021 344988499 /nfs/dbraw/zinc/98/84/99/344988499.db2.gz UCTGVFVBETVPMF-QMMMGPOBSA-N 1 0 237.196 2.227 10 0 BEAERO CC[C@@H]([NH3+])c1ccncc1Br ZINC000238284695 345008523 /nfs/dbraw/zinc/00/85/23/345008523.db2.gz XSLCXLVGXUBQQV-MRVPVSSYSA-N 1 0 215.094 2.254 10 0 BEAERO COc1cc(Br)ccc1[C@@H]([NH3+])CF ZINC000238456964 345049645 /nfs/dbraw/zinc/04/96/45/345049645.db2.gz VCUWVMFRWSFDRC-QMMMGPOBSA-N 1 0 248.095 2.427 10 0 BEAERO CCc1nc(-c2cccs2)oc1C[NH3+] ZINC000238306903 345018513 /nfs/dbraw/zinc/01/85/13/345018513.db2.gz CDBITLBJSVFZJV-UHFFFAOYSA-N 1 0 208.286 2.424 10 0 BEAERO Cc1ccc(OCC[NH2+]C[C@@H]2CCCO2)cc1C ZINC000041303747 178812113 /nfs/dbraw/zinc/81/21/13/178812113.db2.gz QRXGICZDVZGMTO-HNNXBMFYSA-N 1 0 249.354 2.451 10 0 BEAERO Cn1cccc1[C@@H]([NH3+])COc1ccccc1 ZINC000011848717 345031385 /nfs/dbraw/zinc/03/13/85/345031385.db2.gz VEWYHFIGTBDTJM-LBPRGKRZSA-N 1 0 216.284 2.104 10 0 BEAERO Cc1cc(C)n(C[C@@H]([NH3+])c2cccs2)n1 ZINC000011850012 345033471 /nfs/dbraw/zinc/03/34/71/345033471.db2.gz MAYLWFBONQSHDV-SNVBAGLBSA-N 1 0 221.329 2.261 10 0 BEAERO Clc1cc(C2C[NH2+]C2)cc(Cl)n1 ZINC000238535786 345072473 /nfs/dbraw/zinc/07/24/73/345072473.db2.gz ZCIAQHSBGVRQJI-UHFFFAOYSA-N 1 0 203.072 2.075 10 0 BEAERO Cc1ccc(Oc2ccc(C(N)=[NH2+])cn2)cc1 ZINC000019422003 178819660 /nfs/dbraw/zinc/81/96/60/178819660.db2.gz CRBTUTRIZZSREG-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO [NH3+]Cc1cncc(OC(F)(F)F)c1Cl ZINC000238571971 345080460 /nfs/dbraw/zinc/08/04/60/345080460.db2.gz CMCIMABMTVIFAB-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO C[C@@H](C[NH3+])Oc1ccc(F)cc1Br ZINC000011946829 345082407 /nfs/dbraw/zinc/08/24/07/345082407.db2.gz KNANCTKIEHHUOA-LURJTMIESA-N 1 0 248.095 2.314 10 0 BEAERO C[C@H]([NH2+]CCCn1ccnn1)c1cccc(F)c1 ZINC000125608841 345085969 /nfs/dbraw/zinc/08/59/69/345085969.db2.gz UASKYCODWBZGLO-NSHDSACASA-N 1 0 248.305 2.158 10 0 BEAERO C[C@H]([NH3+])C(=O)Nc1c(Cl)cccc1Cl ZINC000011958155 345089601 /nfs/dbraw/zinc/08/96/01/345089601.db2.gz VUHKFNXLSWNTOH-YFKPBYRVSA-N 1 0 233.098 2.279 10 0 BEAERO Cc1ccc(S[C@@H]2CC[NH2+]C2)c(N)c1 ZINC000051784196 178829502 /nfs/dbraw/zinc/82/95/02/178829502.db2.gz ZLUMVOBAMPEZMW-SECBINFHSA-N 1 0 208.330 2.031 10 0 BEAERO CCCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155659627 345095299 /nfs/dbraw/zinc/09/52/99/345095299.db2.gz SGIDSTHMMUDVOD-STQMWFEESA-N 1 0 240.391 2.412 10 0 BEAERO [NH3+]Cc1cc(OC(F)(F)F)cc(Cl)n1 ZINC000238675107 345106762 /nfs/dbraw/zinc/10/67/62/345106762.db2.gz XQYAPDNHOCOJQW-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Cc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000635010950 345212698 /nfs/dbraw/zinc/21/26/98/345212698.db2.gz WTIOIFBRYAAMCN-NWDGAFQWSA-N 1 0 222.332 2.066 10 0 BEAERO Nc1cc(OCc2cccs2)cc[nH+]1 ZINC000227671166 345263929 /nfs/dbraw/zinc/26/39/29/345263929.db2.gz NIGMRPNNOURHCW-UHFFFAOYSA-N 1 0 206.270 2.304 10 0 BEAERO CCC(O)(CC)C[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000626112038 345277449 /nfs/dbraw/zinc/27/74/49/345277449.db2.gz LKWHJVILAXWIFY-OLZOCXBDSA-N 1 0 243.391 2.020 10 0 BEAERO C=C(C)CO[C@@H]1C[NH2+]CC[C@H]1c1ccoc1 ZINC000139955093 345313301 /nfs/dbraw/zinc/31/33/01/345313301.db2.gz PIAUAAWDLXYKAZ-QWHCGFSZSA-N 1 0 221.300 2.318 10 0 BEAERO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CCO)C1 ZINC000300830817 187302236 /nfs/dbraw/zinc/30/22/36/187302236.db2.gz BZXWEFYOUCOIFX-QWHCGFSZSA-N 1 0 213.365 2.373 10 0 BEAERO CCC[C@@H](C)C[N@H+](CCC)CC(=O)OC ZINC000051323756 345401374 /nfs/dbraw/zinc/40/13/74/345401374.db2.gz JJBSQYOZMAGSMW-LLVKDONJSA-N 1 0 215.337 2.308 10 0 BEAERO Cc1ccc([C@@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000041213754 178867493 /nfs/dbraw/zinc/86/74/93/178867493.db2.gz AENPYXBJSZERPT-QWHCGFSZSA-N 1 0 205.301 2.171 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336697953 187303882 /nfs/dbraw/zinc/30/38/82/187303882.db2.gz JAPFNEWCROJBST-MGPQQGTHSA-N 1 0 242.407 2.120 10 0 BEAERO CSC1(C[NH2+][C@H]2CCC[C@@H](O)C2)CCC1 ZINC000378721070 345498841 /nfs/dbraw/zinc/49/88/41/345498841.db2.gz GDZPNDLEPSRMDT-WDEREUQCSA-N 1 0 229.389 2.165 10 0 BEAERO CC(C)C(=O)O[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000031560039 345577469 /nfs/dbraw/zinc/57/74/69/345577469.db2.gz AKINKDOLVIOTCB-NWDGAFQWSA-N 1 0 225.332 2.203 10 0 BEAERO CC(C)[C@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177786713 187306783 /nfs/dbraw/zinc/30/67/83/187306783.db2.gz GLNPDINBCZWNJC-QWHCGFSZSA-N 1 0 249.358 2.166 10 0 BEAERO Cc1ccc([C@@H]2C[NH2+]C[C@@H](C)O2)cc1C ZINC000036673368 178874982 /nfs/dbraw/zinc/87/49/82/178874982.db2.gz CFSNTBJKFCMZRG-YPMHNXCESA-N 1 0 205.301 2.353 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336683746 187307006 /nfs/dbraw/zinc/30/70/06/187307006.db2.gz SOCLZRIJCFFUNG-AGIUHOORSA-N 1 0 243.416 2.390 10 0 BEAERO CCOC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000053884572 1172062047 /nfs/dbraw/zinc/06/20/47/1172062047.db2.gz ARVNRONGICIVHT-GXTWGEPZSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H]1CC(N)=[NH+]N1c1ccccc1Cl ZINC000137409496 345625757 /nfs/dbraw/zinc/62/57/57/345625757.db2.gz DBFGEQQYXYSILM-ZETCQYMHSA-N 1 0 209.680 2.211 10 0 BEAERO C([NH2+]C[C@H]1CCSC1)[C@H]1CC12CCOCC2 ZINC000309339264 187308262 /nfs/dbraw/zinc/30/82/62/187308262.db2.gz JSVQMZFOXYYQOU-VXGBXAGGSA-N 1 0 241.400 2.146 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])[C@H]1CO[C@H](C)C1 ZINC000229489047 345666317 /nfs/dbraw/zinc/66/63/17/345666317.db2.gz PQSZCVPNSNYYMV-OPRDCNLKSA-N 1 0 211.330 2.481 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282244398 178896677 /nfs/dbraw/zinc/89/66/77/178896677.db2.gz JFOJGWWCQVZQOX-OUCADQQQSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1ccc([C@H](C[NH3+])OC2CCOCC2)cc1 ZINC000042907338 178902872 /nfs/dbraw/zinc/90/28/72/178902872.db2.gz HANDSSUDFGHRGS-AWEZNQCLSA-N 1 0 235.327 2.190 10 0 BEAERO [NH3+]CC[C@H](CC(F)(F)F)C(F)(F)F ZINC000082718065 537907954 /nfs/dbraw/zinc/90/79/54/537907954.db2.gz FPCXUBGNYSHCCI-SCSAIBSYSA-N 1 0 209.133 2.466 10 0 BEAERO Cc1ccc([C@H](O)CC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000049837424 178911577 /nfs/dbraw/zinc/91/15/77/178911577.db2.gz LFUJPBFPYXAZAC-LSDHHAIUSA-N 1 0 249.354 2.187 10 0 BEAERO Cc1ccc([C@H](O)C2CC[NH2+]CC2)c(C)c1 ZINC000036159984 178911783 /nfs/dbraw/zinc/91/17/83/178911783.db2.gz ZAURUXZSUPGDIO-CQSZACIVSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1cnc(N[C@H]2CC[C@H]([NH3+])CC2)nc1Cl ZINC000257351340 345773555 /nfs/dbraw/zinc/77/35/55/345773555.db2.gz DMNXNTZTKVPDGT-KYZUINATSA-N 1 0 240.738 2.120 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1[C@H](C)CC[C@H]1CC ZINC000300296074 345777780 /nfs/dbraw/zinc/77/77/80/345777780.db2.gz VKZSIMGZJSATSN-MGPQQGTHSA-N 1 0 243.391 2.427 10 0 BEAERO C[C@H]1CCCn2cc([C@H]3CCC[NH2+]C3)nc21 ZINC000258432883 345783898 /nfs/dbraw/zinc/78/38/98/345783898.db2.gz OUYMBPRSKZKHEJ-QWRGUYRKSA-N 1 0 219.332 2.247 10 0 BEAERO C[C@@H]1CCCc2nc(C3CC[NH2+]CC3)cn21 ZINC000258447078 345783972 /nfs/dbraw/zinc/78/39/72/345783972.db2.gz PJEUGNBTTVMCCU-SNVBAGLBSA-N 1 0 219.332 2.247 10 0 BEAERO C[C@H]1CCc2nc([C@H]3CCCC[NH2+]3)cn2C1 ZINC000258487928 345784355 /nfs/dbraw/zinc/78/43/55/345784355.db2.gz QUCSTXBJJMZJDV-WDEREUQCSA-N 1 0 219.332 2.280 10 0 BEAERO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000166774782 345786707 /nfs/dbraw/zinc/78/67/07/345786707.db2.gz SELCBMTWZPYEHH-NOOOWODRSA-N 1 0 209.333 2.474 10 0 BEAERO [NH3+]CCN1c2ccccc2[C@@H]2CCC[C@H]21 ZINC000137673887 345848121 /nfs/dbraw/zinc/84/81/21/345848121.db2.gz BPDJHMJWBAUWOX-WCQYABFASA-N 1 0 202.301 2.101 10 0 BEAERO COC(=O)c1ccc([C@@H]2CCC[NH2+]2)c(C)c1 ZINC000140271924 345852481 /nfs/dbraw/zinc/85/24/81/345852481.db2.gz CWTHCNXRFXYXDP-LBPRGKRZSA-N 1 0 219.284 2.206 10 0 BEAERO CCC[C@](C)(C[NH3+])NC(=O)OC(C)(C)C ZINC000220243536 345860962 /nfs/dbraw/zinc/86/09/62/345860962.db2.gz UIPGQYPLCLBMBU-LLVKDONJSA-N 1 0 216.325 2.029 10 0 BEAERO OCCC1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000034557983 345831337 /nfs/dbraw/zinc/83/13/37/345831337.db2.gz QRLIBFSEEWFEIN-UHFFFAOYSA-N 1 0 235.302 2.340 10 0 BEAERO CC(=O)Nc1ccc(C[NH2+]C(C)(C)C)c(O)c1 ZINC000034567074 345832219 /nfs/dbraw/zinc/83/22/19/345832219.db2.gz DOKVBTMAHUKANW-UHFFFAOYSA-N 1 0 236.315 2.239 10 0 BEAERO CCCC[C@H](CC)CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085370755 535010600 /nfs/dbraw/zinc/01/06/00/535010600.db2.gz PNTRLPAGFAYDQK-AVGNSLFASA-N 1 0 240.391 2.446 10 0 BEAERO Cc1ccc([S@](=O)[C@@H]2CCC[NH2+]C2)cc1C ZINC000083295227 178934327 /nfs/dbraw/zinc/93/43/27/178934327.db2.gz SIWROMJRAYQYHZ-CZUORRHYSA-N 1 0 237.368 2.163 10 0 BEAERO Cc1ccc([S@](=O)C[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000083309228 178934535 /nfs/dbraw/zinc/93/45/35/178934535.db2.gz HHWKKWUCMYKQND-WBMJQRKESA-N 1 0 237.368 2.021 10 0 BEAERO O=C1Nc2ccccc2[C@H]1C[C@@H]1CCCC[NH2+]1 ZINC000143420562 345865218 /nfs/dbraw/zinc/86/52/18/345865218.db2.gz UXKSDGGMZXSNQZ-CMPLNLGQSA-N 1 0 230.311 2.255 10 0 BEAERO N#CCC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000143278328 345865440 /nfs/dbraw/zinc/86/54/40/345865440.db2.gz WDOHYKQIGKFUON-UHFFFAOYSA-N 1 0 242.322 2.381 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000252424575 345899618 /nfs/dbraw/zinc/89/96/18/345899618.db2.gz IBXKFVJUCBWJGV-HRCADAONSA-N 1 0 245.366 2.437 10 0 BEAERO C[C@@H](c1cccs1)N1CC[NH2+]C[C@H]1C ZINC000083086736 345914494 /nfs/dbraw/zinc/91/44/94/345914494.db2.gz VOOFFVZNFWNIFF-ZJUUUORDSA-N 1 0 210.346 2.103 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)cc1 ZINC000144484825 345922199 /nfs/dbraw/zinc/92/21/99/345922199.db2.gz XQYZITZLEACFSW-KGYLQXTDSA-N 1 0 203.285 2.018 10 0 BEAERO [NH3+]CC[C@@H]1C(=O)Nc2cc(Cl)cc(Cl)c21 ZINC000075079664 537925303 /nfs/dbraw/zinc/92/53/03/537925303.db2.gz AXFNCTDYZKZOLJ-LURJTMIESA-N 1 0 245.109 2.378 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H](C)O)CC2 ZINC000132317972 178955994 /nfs/dbraw/zinc/95/59/94/178955994.db2.gz VMAPSKNVNJBTEK-BXUZGUMPSA-N 1 0 219.328 2.343 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc[nH]1 ZINC000190750976 345986639 /nfs/dbraw/zinc/98/66/39/345986639.db2.gz LADUGIKTMROYIN-LLVKDONJSA-N 1 0 230.311 2.441 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C1(C)C ZINC000250473224 537939121 /nfs/dbraw/zinc/93/91/21/537939121.db2.gz DFSRWLCJXYDVOD-ZDEQEGDKSA-N 1 0 241.375 2.083 10 0 BEAERO [NH3+][C@@H]1CCOc2c1ccc1c2CCCC1 ZINC000095639094 346079999 /nfs/dbraw/zinc/07/99/99/346079999.db2.gz HAJKFYXWBZOLKM-GFCCVEGCSA-N 1 0 203.285 2.348 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCCC[C@H]1O ZINC000252714929 537938152 /nfs/dbraw/zinc/93/81/52/537938152.db2.gz UBSNCFYBVADWRZ-KGYLQXTDSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)C[NH2+]CC[C@H](CO)C1CCCC1 ZINC000685963294 537946014 /nfs/dbraw/zinc/94/60/14/537946014.db2.gz LKZWSTXBPAJWNS-CYBMUJFWSA-N 1 0 213.365 2.421 10 0 BEAERO Cc1coc(S[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000235942258 346173646 /nfs/dbraw/zinc/17/36/46/346173646.db2.gz CUVHQAZILXJCSD-BDAKNGLRSA-N 1 0 212.318 2.345 10 0 BEAERO [NH3+]C[C@@H]1C[C@H]1c1occc1Br ZINC000236175730 346205292 /nfs/dbraw/zinc/20/52/92/346205292.db2.gz KQAFPSZFZVHUBX-NTSWFWBYSA-N 1 0 216.078 2.104 10 0 BEAERO [NH3+]C1(CNc2nc(Cl)cs2)CCC1 ZINC000236195992 346206363 /nfs/dbraw/zinc/20/63/63/346206363.db2.gz LMNMHTDJVZVSAG-UHFFFAOYSA-N 1 0 217.725 2.090 10 0 BEAERO Cc1cccc(C(=O)C[NH2+]C(C)C)c1C ZINC000082532371 179004628 /nfs/dbraw/zinc/00/46/28/179004628.db2.gz VRLRZHJOPJTRTK-UHFFFAOYSA-N 1 0 205.301 2.484 10 0 BEAERO [NH3+][C@H](CC1OCCO1)c1ccccc1Cl ZINC000236317325 346224945 /nfs/dbraw/zinc/22/49/45/346224945.db2.gz QNPWTWHCTHHNRG-SNVBAGLBSA-N 1 0 227.691 2.103 10 0 BEAERO Cc1ncc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000628260640 346259996 /nfs/dbraw/zinc/25/99/96/346259996.db2.gz PBUPNIORXAXGFD-UWVGGRQHSA-N 1 0 238.331 2.276 10 0 BEAERO Nc1cccc([C@@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000022633117 187319087 /nfs/dbraw/zinc/31/90/87/187319087.db2.gz MVPHBMHDGWYQNG-HNNXBMFYSA-N 1 0 242.322 2.092 10 0 BEAERO C[C@H]1CC([C@@](O)(C[NH3+])C(F)(F)F)C[C@H](C)C1 ZINC000675052608 537964067 /nfs/dbraw/zinc/96/40/67/537964067.db2.gz GTXZWDVSRKYPOE-MRTMQBJTSA-N 1 0 239.281 2.311 10 0 BEAERO Cc1cccc(C(=O)NC[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000062036680 179018062 /nfs/dbraw/zinc/01/80/62/179018062.db2.gz HZSNHEUOAGGKIY-OLZOCXBDSA-N 1 0 246.354 2.113 10 0 BEAERO CC(C)[C@H]([C@@H](N)c1ccccc1)[NH+](C)C ZINC000023068115 187319896 /nfs/dbraw/zinc/31/98/96/187319896.db2.gz WYKGULWZGZPEQZ-QWHCGFSZSA-N 1 0 206.333 2.273 10 0 BEAERO CC[C@H](C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377918 537966111 /nfs/dbraw/zinc/96/61/11/537966111.db2.gz ZMXXEQCJJAWTQK-WLYUNCDWSA-N 1 0 249.354 2.082 10 0 BEAERO Cc1cccc(C)c1C[NH2+]CCCn1ccnn1 ZINC000126607982 179036783 /nfs/dbraw/zinc/03/67/83/179036783.db2.gz HIZRYCGRMDOHBE-UHFFFAOYSA-N 1 0 244.342 2.075 10 0 BEAERO Cc1cccc(CC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000082366237 179053217 /nfs/dbraw/zinc/05/32/17/179053217.db2.gz LXEGCVDGSMSBNI-ZDUSSCGKSA-N 1 0 219.328 2.480 10 0 BEAERO Cc1cccc(CCC[NH2+]CCN(C)C)c1 ZINC000041234440 179054729 /nfs/dbraw/zinc/05/47/29/179054729.db2.gz DNOJUUICNFJZFR-UHFFFAOYSA-N 1 0 220.360 2.079 10 0 BEAERO Cc1cccc(CN(C)C(=O)[C@](C)([NH3+])C2CC2)c1 ZINC000037807918 179063042 /nfs/dbraw/zinc/06/30/42/179063042.db2.gz NIJABDKSIXYGEO-OAHLLOKOSA-N 1 0 246.354 2.081 10 0 BEAERO [NH3+]Cc1nc2ccccc2cc1Br ZINC000158434377 346396532 /nfs/dbraw/zinc/39/65/32/346396532.db2.gz UFJPLYDADAKBNQ-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO CCC[C@H](C)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000245845485 323124090 /nfs/dbraw/zinc/12/40/90/323124090.db2.gz LANBPBHNSJPDPC-KBPBESRZSA-N 1 0 242.407 2.075 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1C(C)(C)C ZINC000725241771 537980397 /nfs/dbraw/zinc/98/03/97/537980397.db2.gz PHZBDKVALWOEDK-ZJUUUORDSA-N 1 0 227.348 2.210 10 0 BEAERO Cc1cccc(C[NH2+]CC2(O)CCCCC2)n1 ZINC000051576175 179090850 /nfs/dbraw/zinc/09/08/50/179090850.db2.gz CJWFKZFNDUPDQG-UHFFFAOYSA-N 1 0 234.343 2.175 10 0 BEAERO Cc1cccc(C[NH2+]C[C@@H]2CCC=CO2)n1 ZINC000051575550 179091647 /nfs/dbraw/zinc/09/16/47/179091647.db2.gz LVARPJJRTVWIPD-ZDUSSCGKSA-N 1 0 218.300 2.172 10 0 BEAERO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1F ZINC000295772422 179092669 /nfs/dbraw/zinc/09/26/69/179092669.db2.gz QYUKUYVDMXITBA-AAEUAGOBSA-N 1 0 237.318 2.385 10 0 BEAERO CCCC[NH2+][C@@H](CC)CC(=O)OCC ZINC000148874983 346473496 /nfs/dbraw/zinc/47/34/96/346473496.db2.gz OQSJBRZLIJQHHT-JTQLQIEISA-N 1 0 201.310 2.108 10 0 BEAERO CCOC(=O)C[C@@H](CC)[NH+]1CCC(C)CC1 ZINC000148872094 346473697 /nfs/dbraw/zinc/47/36/97/346473697.db2.gz OWCQHGHUWSGNJT-GFCCVEGCSA-N 1 0 227.348 2.450 10 0 BEAERO Cc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000038005613 179095582 /nfs/dbraw/zinc/09/55/82/179095582.db2.gz NKOABBZHHSKZPF-UHFFFAOYSA-N 1 0 201.273 2.008 10 0 BEAERO CC1CC(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000580063509 346505635 /nfs/dbraw/zinc/50/56/35/346505635.db2.gz GDADRQGSEVVYLO-UHFFFAOYSA-N 1 0 244.338 2.317 10 0 BEAERO COc1cccc(Cl)c1CC1C[NH2+]C1 ZINC000162013152 346506169 /nfs/dbraw/zinc/50/61/69/346506169.db2.gz CAICLSPJBNNGKO-UHFFFAOYSA-N 1 0 211.692 2.111 10 0 BEAERO Cc1cccc(C[C@H]([NH3+])[C@@H]2CCCOC2)c1 ZINC000062237896 179105643 /nfs/dbraw/zinc/10/56/43/179105643.db2.gz LJKJEHQMKXPCDX-KGLIPLIRSA-N 1 0 219.328 2.291 10 0 BEAERO CN(Cc1cc(C[NH3+])c(F)cc1F)C1CC1 ZINC000669380147 537984409 /nfs/dbraw/zinc/98/44/09/537984409.db2.gz RHACTFCQDXDMEG-UHFFFAOYSA-N 1 0 226.270 2.018 10 0 BEAERO Cc1cccc(N2CCC[NH2+]C[C@H](C)C2)c1 ZINC000049665476 179122770 /nfs/dbraw/zinc/12/27/70/179122770.db2.gz DEOXULDDKOEMLE-ZDUSSCGKSA-N 1 0 218.344 2.431 10 0 BEAERO COc1cc([C@H]2CCC[C@@H](C)[NH2+]2)ccn1 ZINC000725242411 537983779 /nfs/dbraw/zinc/98/37/79/537983779.db2.gz ANKJOFURSWKHAT-MWLCHTKSSA-N 1 0 206.289 2.293 10 0 BEAERO CCSCC[C@H](CO)[NH2+]Cc1ccccc1 ZINC000164062238 346588544 /nfs/dbraw/zinc/58/85/44/346588544.db2.gz LOUBJRVRDMMRBR-CYBMUJFWSA-N 1 0 239.384 2.280 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](O)c1ccccc1Br ZINC000164147138 346592312 /nfs/dbraw/zinc/59/23/12/346592312.db2.gz ZTCSMPNAODOSGT-GMSGAONNSA-N 1 0 244.132 2.220 10 0 BEAERO C[C@H]([NH3+])C[C@@H](O)c1ccccc1Br ZINC000164147019 346592705 /nfs/dbraw/zinc/59/27/05/346592705.db2.gz ZTCSMPNAODOSGT-OIBJUYFYSA-N 1 0 244.132 2.220 10 0 BEAERO C[C@H]([NH3+])C[C@H](O)c1ccc(Br)cc1 ZINC000164142329 346592743 /nfs/dbraw/zinc/59/27/43/346592743.db2.gz NAVJDCUCIUEXMA-XVKPBYJWSA-N 1 0 244.132 2.220 10 0 BEAERO CC[C@@H]1CSC2(CCC(OC)CC2)[NH2+]1 ZINC000164327959 346601549 /nfs/dbraw/zinc/60/15/49/346601549.db2.gz GYPNEUXMKAPFJP-KPPDAEKUSA-N 1 0 215.362 2.387 10 0 BEAERO CC[C@](O)(C[NH3+])c1cc(F)ccc1Cl ZINC000164373299 346602405 /nfs/dbraw/zinc/60/24/05/346602405.db2.gz GYXMNQVMSCYFCE-JTQLQIEISA-N 1 0 217.671 2.035 10 0 BEAERO C[C@@]1([C@H]([NH3+])Cc2nccs2)CCCS1 ZINC000164533325 346608339 /nfs/dbraw/zinc/60/83/39/346608339.db2.gz DTLZRWOQRJDGOO-SCZZXKLOSA-N 1 0 228.386 2.299 10 0 BEAERO CSC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000381653262 346567180 /nfs/dbraw/zinc/56/71/80/346567180.db2.gz SFVGMBWCUWBDBQ-AGIUHOORSA-N 1 0 243.416 2.365 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc(Cl)cs1 ZINC000165287015 346646684 /nfs/dbraw/zinc/64/66/84/346646684.db2.gz VCCCFHCFRKSPQS-RQJHMYQMSA-N 1 0 231.752 2.478 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nc2ccccc2o1 ZINC000165731307 346657225 /nfs/dbraw/zinc/65/72/25/346657225.db2.gz NUMRTJXESLFDQC-BDAKNGLRSA-N 1 0 219.288 2.366 10 0 BEAERO Cc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170874820 179132241 /nfs/dbraw/zinc/13/22/41/179132241.db2.gz PDYGZSCIKKIZEY-CYBMUJFWSA-N 1 0 247.342 2.163 10 0 BEAERO Cc1c(Cl)nc(CC[NH+](C)C)nc1Cl ZINC000167762254 346716676 /nfs/dbraw/zinc/71/66/76/346716676.db2.gz PEKGJHSQMZEUIU-UHFFFAOYSA-N 1 0 234.130 2.196 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1C ZINC000104223892 179141717 /nfs/dbraw/zinc/14/17/17/179141717.db2.gz ZWWUFGBGWKRPMO-JQWIXIFHSA-N 1 0 232.327 2.097 10 0 BEAERO COC(=O)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000037252150 346679601 /nfs/dbraw/zinc/67/96/01/346679601.db2.gz JVJCCZJUPPVJTQ-LLVKDONJSA-N 1 0 221.300 2.209 10 0 BEAERO C[C@]1(C(=O)c2ccsc2)CCC[C@@H]1[NH3+] ZINC000226835108 346697473 /nfs/dbraw/zinc/69/74/73/346697473.db2.gz DSIOQBZZUWVVKA-ONGXEEELSA-N 1 0 209.314 2.448 10 0 BEAERO Nc1ccc(C[NH3+])cc1-c1ccsc1 ZINC000669380024 537985614 /nfs/dbraw/zinc/98/56/14/537985614.db2.gz FUHQWPWLZJEGHK-UHFFFAOYSA-N 1 0 204.298 2.456 10 0 BEAERO Cc1cccc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000104324425 179158908 /nfs/dbraw/zinc/15/89/08/179158908.db2.gz VLUWCEVFNHMHHP-ZFWWWQNUSA-N 1 0 239.322 2.427 10 0 BEAERO Cc1cc(C)n([C@H](C[NH3+])c2cccc(C)c2)n1 ZINC000042967761 179185477 /nfs/dbraw/zinc/18/54/77/179185477.db2.gz NOPLCZXNWYNVMX-CQSZACIVSA-N 1 0 229.327 2.356 10 0 BEAERO Cc1cccc([C@@H]([NH3+])c2cnn(C)c2)c1C ZINC000034957673 179187284 /nfs/dbraw/zinc/18/72/84/179187284.db2.gz YEKFTSDOGUQZOO-ZDUSSCGKSA-N 1 0 215.300 2.085 10 0 BEAERO Cc1cccc([C@@H](Sc2nc[nH]n2)[C@H](C)[NH3+])c1 ZINC000042969602 179188948 /nfs/dbraw/zinc/18/89/48/179188948.db2.gz VNVSOOFPYUQQCM-ONGXEEELSA-N 1 0 248.355 2.294 10 0 BEAERO Cc1nc(C)n([C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])n1 ZINC000042967861 179189101 /nfs/dbraw/zinc/18/91/01/179189101.db2.gz DZVVWJHQFQMRLK-QMTHXVAHSA-N 1 0 244.342 2.140 10 0 BEAERO CCCC[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000310033674 347220843 /nfs/dbraw/zinc/22/08/43/347220843.db2.gz SBWYBHPSKOTWHQ-MNOVXSKESA-N 1 0 226.364 2.212 10 0 BEAERO O=C1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000725242896 537988041 /nfs/dbraw/zinc/98/80/41/537988041.db2.gz UMKFKBQBJNRVOE-LBPRGKRZSA-N 1 0 221.325 2.232 10 0 BEAERO COC[C@H](C)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000187304096 347253251 /nfs/dbraw/zinc/25/32/51/347253251.db2.gz FZPSPAMIGXUFPH-DGCLKSJQSA-N 1 0 237.347 2.219 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@H]1c1ccc(C)s1 ZINC000250266260 362798395 /nfs/dbraw/zinc/79/83/95/362798395.db2.gz KMRQUXJYTMNNNO-ONGXEEELSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCOC[C@@H]2C)c1 ZINC000042966204 179204231 /nfs/dbraw/zinc/20/42/31/179204231.db2.gz OZANLYRGZRPEQU-YDHLFZDLSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1cccc([C@H](C[NH3+])OC2CCOCC2)c1 ZINC000042969402 179198370 /nfs/dbraw/zinc/19/83/70/179198370.db2.gz DWMAJFCDXAZBAG-AWEZNQCLSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1cccc([C@H](CCC[NH3+])C(=O)NC2CC2)c1 ZINC000076631689 179198428 /nfs/dbraw/zinc/19/84/28/179198428.db2.gz YGCSZUZZKUZURN-AWEZNQCLSA-N 1 0 246.354 2.096 10 0 BEAERO Cc1cccc([C@H](C[NH3+])n2cc(Cl)cn2)c1 ZINC000042967818 179198513 /nfs/dbraw/zinc/19/85/13/179198513.db2.gz LAOPCDRTFISHKC-LBPRGKRZSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1cccc([C@H](O)[C@H]2CCC[NH2+]2)c1C ZINC000041214063 179201859 /nfs/dbraw/zinc/20/18/59/179201859.db2.gz WGZIOTAVWHYBBX-OLZOCXBDSA-N 1 0 205.301 2.089 10 0 BEAERO CC(C)[S@](=O)[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000250579064 362810907 /nfs/dbraw/zinc/81/09/07/362810907.db2.gz RRDBCOBIZNGPLK-BFVZDQMLSA-N 1 0 217.378 2.050 10 0 BEAERO Cc1cccc([C@H](O)[C@H]2CCCC[NH2+]2)c1 ZINC000041213745 179202489 /nfs/dbraw/zinc/20/24/89/179202489.db2.gz RYJUTEUDPAZKGE-OLZOCXBDSA-N 1 0 205.301 2.171 10 0 BEAERO CCC1CCC([NH2+][C@H]2CCNC(=O)CC2)CC1 ZINC000396622177 362826646 /nfs/dbraw/zinc/82/66/46/362826646.db2.gz BIBAKLAFTRJQGJ-WXRRBKDZSA-N 1 0 238.375 2.214 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H](C)CC ZINC000193241658 347392961 /nfs/dbraw/zinc/39/29/61/347392961.db2.gz LSVNFLHKTBAHMA-RWMBFGLXSA-N 1 0 231.380 2.188 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CC)C1CCCC1 ZINC000193247169 347393024 /nfs/dbraw/zinc/39/30/24/347393024.db2.gz IPYTWRJNCBTDLB-AWEZNQCLSA-N 1 0 243.391 2.429 10 0 BEAERO CC[NH2+][C@@H](CC)c1cn(C(C)(C)C)nn1 ZINC000616568638 347452267 /nfs/dbraw/zinc/45/22/67/347452267.db2.gz DDMDTAIADDBMCU-VIFPVBQESA-N 1 0 210.325 2.094 10 0 BEAERO Cc1[nH+]c(-c2ccccc2C)c(N)n1C ZINC000104848853 179238190 /nfs/dbraw/zinc/23/81/90/179238190.db2.gz YUYMUZFMQQWAES-UHFFFAOYSA-N 1 0 201.273 2.286 10 0 BEAERO CC(C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616568405 347447185 /nfs/dbraw/zinc/44/71/85/347447185.db2.gz BFUKOPXYQCFCOB-STQMWFEESA-N 1 0 240.391 2.173 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C2CC2)C1(C)C ZINC000380109720 365885909 /nfs/dbraw/zinc/88/59/09/365885909.db2.gz NVQUTBGESPNDOG-PKZYVASSSA-N 1 0 211.349 2.434 10 0 BEAERO Cc1ccccc1C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000035689931 179252904 /nfs/dbraw/zinc/25/29/04/179252904.db2.gz NGARASVZRYQABO-GFCCVEGCSA-N 1 0 246.354 2.113 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000364834462 347557094 /nfs/dbraw/zinc/55/70/94/347557094.db2.gz PZRABDWVUNLXSH-ZIAGYGMSSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000036779450 347576376 /nfs/dbraw/zinc/57/63/76/347576376.db2.gz LATAZQFZWNFBLV-UWVGGRQHSA-N 1 0 231.242 2.059 10 0 BEAERO Cc1ccccc1CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000104111271 179260462 /nfs/dbraw/zinc/26/04/62/179260462.db2.gz HBMDDSLTDCZHHY-YIONKMFJSA-N 1 0 231.339 2.183 10 0 BEAERO Cc1ccccc1CN(C)c1ccc(C[NH3+])cn1 ZINC000036791905 179271349 /nfs/dbraw/zinc/27/13/49/179271349.db2.gz LMQPAIVEDROKAA-UHFFFAOYSA-N 1 0 241.338 2.485 10 0 BEAERO Cc1ccccc1CC[NH2+]Cc1cncnc1 ZINC000112338633 179265801 /nfs/dbraw/zinc/26/58/01/179265801.db2.gz WTNBNIGBDSNKES-UHFFFAOYSA-N 1 0 227.311 2.117 10 0 BEAERO Cc1ccccc1CN(C)[C@H](C)[C@@H](C)[NH3+] ZINC000042436038 179269332 /nfs/dbraw/zinc/26/93/32/179269332.db2.gz DBHKCKSZWRCNBD-VXGBXAGGSA-N 1 0 206.333 2.163 10 0 BEAERO Cc1ccccc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000295109873 179273775 /nfs/dbraw/zinc/27/37/75/179273775.db2.gz VZFMXYCIMMYVEK-GXTWGEPZSA-N 1 0 219.328 2.340 10 0 BEAERO C[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)(C)C ZINC000616569549 347767894 /nfs/dbraw/zinc/76/78/94/347767894.db2.gz ACLMIYCYKIOSJE-UTUOFQBUSA-N 1 0 238.375 2.022 10 0 BEAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000592529507 347796401 /nfs/dbraw/zinc/79/64/01/347796401.db2.gz PBSNXFPCLRUBCG-MVWJERBFSA-N 1 0 248.326 2.080 10 0 BEAERO Cc1ccccc1N(C)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000049990847 179294018 /nfs/dbraw/zinc/29/40/18/179294018.db2.gz IPFPHYLYXMKAIA-CHWSQXEVSA-N 1 0 246.354 2.488 10 0 BEAERO Cc1ccccc1N(C)[C@H]1CCC[C@@H]1[NH3+] ZINC000049986245 179294305 /nfs/dbraw/zinc/29/43/05/179294305.db2.gz IKMPFIOMVWTTBG-AAEUAGOBSA-N 1 0 204.317 2.311 10 0 BEAERO Cc1ccccc1N(C)C[C@@H]1CC[NH2+]C1 ZINC000051890148 179294861 /nfs/dbraw/zinc/29/48/61/179294861.db2.gz XKCLMFJSJZXCSS-GFCCVEGCSA-N 1 0 204.317 2.041 10 0 BEAERO Cc1c(CCC[NH3+])cnn1Cc1ccccc1C ZINC000071187454 179295241 /nfs/dbraw/zinc/29/52/41/179295241.db2.gz CVMOPOZASWWJHL-UHFFFAOYSA-N 1 0 243.354 2.440 10 0 BEAERO Cc1ccccc1N1CCC[NH2+]C[C@H](C)C1 ZINC000049665567 179295515 /nfs/dbraw/zinc/29/55/15/179295515.db2.gz BYBFLDOMRXBQQI-LBPRGKRZSA-N 1 0 218.344 2.431 10 0 BEAERO Cc1ccccc1C[C@@]1(C[NH3+])CCCOC1 ZINC000062193163 179289922 /nfs/dbraw/zinc/28/99/22/179289922.db2.gz IMUVTVAISVVUBE-CQSZACIVSA-N 1 0 219.328 2.293 10 0 BEAERO Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000019439666 179301257 /nfs/dbraw/zinc/30/12/57/179301257.db2.gz SUHYMVVYTIPOSB-YPMHNXCESA-N 1 0 232.327 2.464 10 0 BEAERO C[C@@H]1C[C@H](C)C[NH2+][C@@H]1CNC(=O)OC(C)(C)C ZINC000669381769 537994688 /nfs/dbraw/zinc/99/46/88/537994688.db2.gz UQQPUVOKVHYDAM-HBNTYKKESA-N 1 0 242.363 2.145 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])CCN1CCOC[C@@H]1C ZINC000054017701 179324002 /nfs/dbraw/zinc/32/40/02/179324002.db2.gz QIDMIUAMTFDRGS-ZFWWWQNUSA-N 1 0 248.370 2.106 10 0 BEAERO C[C@@H]1CCC[N@H+](CC[C@H]2CCC2=O)[C@H]1C ZINC000669381549 537995978 /nfs/dbraw/zinc/99/59/78/537995978.db2.gz NYFNRVZHCZJONM-GRYCIOLGSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])COC[C@@H]1CCOC1 ZINC000049689339 179324606 /nfs/dbraw/zinc/32/46/06/179324606.db2.gz PVUBOTCSJIWUGB-OCCSQVGLSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])COCC1CCOCC1 ZINC000052153351 179324955 /nfs/dbraw/zinc/32/49/55/179324955.db2.gz KSGNWJAQTVYOEJ-HNNXBMFYSA-N 1 0 249.354 2.438 10 0 BEAERO C[C@H]1C[C@H](CN2CCC[C@H](C)C2)[NH2+][C@@H](C)C1 ZINC000669381572 537995259 /nfs/dbraw/zinc/99/52/59/537995259.db2.gz OKSRYYLMNCNEAG-RFQIPJPRSA-N 1 0 224.392 2.495 10 0 BEAERO C[NH2+][C@@H]1CCCc2c(OC)ccc(F)c21 ZINC000616570267 347966750 /nfs/dbraw/zinc/96/67/50/347966750.db2.gz GHLAHJSUMNFEDO-SNVBAGLBSA-N 1 0 209.264 2.431 10 0 BEAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCOC[C@@H]1C ZINC000043034881 179327285 /nfs/dbraw/zinc/32/72/85/179327285.db2.gz XRXJKDZDBYVLKF-KCQAQPDRSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1ccccc1[C@@H]1CC2(CC[NH2+]1)OCCO2 ZINC000041260654 179328300 /nfs/dbraw/zinc/32/83/00/179328300.db2.gz LNLUVDUFUAONEI-ZDUSSCGKSA-N 1 0 233.311 2.163 10 0 BEAERO Cc1cc(N)c(N(C)CCC[NH+](C)C)cc1C ZINC000202231626 347988451 /nfs/dbraw/zinc/98/84/51/347988451.db2.gz BZADPYDTQWDJBD-UHFFFAOYSA-N 1 0 235.375 2.274 10 0 BEAERO C[C@@H]1C[C@H](C)[NH2+][C@H](CN2CCCCC2)C1 ZINC000669381788 537996406 /nfs/dbraw/zinc/99/64/06/537996406.db2.gz VLCSIZYULOYTOY-AGIUHOORSA-N 1 0 210.365 2.249 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)C1([NH3+])CCCC1 ZINC000040854792 179336466 /nfs/dbraw/zinc/33/64/66/179336466.db2.gz RNVKNNXDXXRMCI-LBPRGKRZSA-N 1 0 246.354 2.444 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC000042213273 179337029 /nfs/dbraw/zinc/33/70/29/179337029.db2.gz RGSDRRUXQMFZGM-ZDUSSCGKSA-N 1 0 246.354 2.268 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282203155 179338726 /nfs/dbraw/zinc/33/87/26/179338726.db2.gz CURHJWCBTSQNQD-SGMGOOAPSA-N 1 0 246.354 2.313 10 0 BEAERO CC[C@@H]([NH3+])[C@H](C)N(C)Cc1ccccc1 ZINC000037116224 348021067 /nfs/dbraw/zinc/02/10/67/348021067.db2.gz ASHOEEGDBJWQIN-WCQYABFASA-N 1 0 206.333 2.244 10 0 BEAERO c1ccc(C[NH2+][C@H]2CCN3CCC[C@H]23)cc1 ZINC000037168597 348024870 /nfs/dbraw/zinc/02/48/70/348024870.db2.gz SCTRVPQBVADAOD-UONOGXRCSA-N 1 0 216.328 2.013 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037166121 348024878 /nfs/dbraw/zinc/02/48/78/348024878.db2.gz XTZCDDHMCCCFKA-UONOGXRCSA-N 1 0 249.354 2.397 10 0 BEAERO CC[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000038000106 348024917 /nfs/dbraw/zinc/02/49/17/348024917.db2.gz CNILIBZLOCFSBK-CYBMUJFWSA-N 1 0 232.327 2.160 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037166119 348024986 /nfs/dbraw/zinc/02/49/86/348024986.db2.gz XTZCDDHMCCCFKA-KBPBESRZSA-N 1 0 249.354 2.397 10 0 BEAERO Cc1ccccc1[C@@](C)(O)C[NH2+]C(C)C ZINC000055033090 179333208 /nfs/dbraw/zinc/33/32/08/179333208.db2.gz DFZWNXKMEKBJMJ-ZDUSSCGKSA-N 1 0 207.317 2.201 10 0 BEAERO Cc1ccccc1[C@H](Sc1nc[nH]n1)[C@H](C)[NH3+] ZINC000043040761 179347317 /nfs/dbraw/zinc/34/73/17/179347317.db2.gz LKHNALAGVJEMPM-GXSJLCMTSA-N 1 0 248.355 2.294 10 0 BEAERO CC(C)CC(=O)N1CC[C@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616570564 348069089 /nfs/dbraw/zinc/06/90/89/348069089.db2.gz NIASOFOEXFHRMX-CHWSQXEVSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)CC(=O)N1CC[C@@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616570572 348069274 /nfs/dbraw/zinc/06/92/74/348069274.db2.gz NIASOFOEXFHRMX-STQMWFEESA-N 1 0 240.391 2.254 10 0 BEAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC000616570709 348071426 /nfs/dbraw/zinc/07/14/26/348071426.db2.gz OCRWEWGEGLOWNZ-IJLUTSLNSA-N 1 0 240.391 2.173 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CN1C[C@@H](C)O[C@H](C)C1 ZINC000023069419 179343095 /nfs/dbraw/zinc/34/30/95/179343095.db2.gz UEYBYDANMMMVHK-UMVBOHGHSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1ccccc1[C@H](N)C[N@H+]1CC[C@H](C)C1 ZINC000040718014 179343396 /nfs/dbraw/zinc/34/33/96/179343396.db2.gz FIZAPPKMVZSDGS-SMDDNHRTSA-N 1 0 218.344 2.337 10 0 BEAERO Cc1ccccc1[C@H]([NH2+]C1CCCC1)C(N)=O ZINC000037968866 179344156 /nfs/dbraw/zinc/34/41/56/179344156.db2.gz HVHGIIMCQLBBGR-ZDUSSCGKSA-N 1 0 232.327 2.054 10 0 BEAERO CCOc1nscc1C[NH2+]C(C)C ZINC000669381531 537997839 /nfs/dbraw/zinc/99/78/39/537997839.db2.gz NEFKBAQYQUDNNE-UHFFFAOYSA-N 1 0 200.307 2.040 10 0 BEAERO CCC[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000082626354 348170853 /nfs/dbraw/zinc/17/08/53/348170853.db2.gz XNBFPQJYWXLZJI-UHFFFAOYSA-N 1 0 239.388 2.107 10 0 BEAERO CC[C@]1(C(=O)OCc2ccccc2)CC[NH2+]C1 ZINC000062920199 348208452 /nfs/dbraw/zinc/20/84/52/348208452.db2.gz RVYDGBNBZJVLDV-AWEZNQCLSA-N 1 0 233.311 2.120 10 0 BEAERO CS[C@H]1CCCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000595388024 348242827 /nfs/dbraw/zinc/24/28/27/348242827.db2.gz SHGMIANGIUXSAV-QJPTWQEYSA-N 1 0 229.389 2.117 10 0 BEAERO CC[C@H](C)S[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000251372878 362867460 /nfs/dbraw/zinc/86/74/60/362867460.db2.gz RCHNRQJLJWUVMF-AXFHLTTASA-N 1 0 245.388 2.141 10 0 BEAERO CC[C@@H]1CS[C@@]2(CS[C@H](C)C2)[NH2+]1 ZINC000251378711 362868039 /nfs/dbraw/zinc/86/80/39/362868039.db2.gz VROQSYYGOIRWRC-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO CCOC(=O)[C@@H](C)[N@H+](C)CCCC1CCC1 ZINC000595374675 348232957 /nfs/dbraw/zinc/23/29/57/348232957.db2.gz AZEGYZPLWDQQGJ-LLVKDONJSA-N 1 0 227.348 2.450 10 0 BEAERO CC(C)[C@@H]1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245014 538001005 /nfs/dbraw/zinc/00/10/05/538001005.db2.gz CZZYZVPHLUIAOW-NQBHXWOUSA-N 1 0 209.333 2.237 10 0 BEAERO Cc1cccnc1N(CC[NH3+])C1CCCC1 ZINC000053706126 179389398 /nfs/dbraw/zinc/38/93/98/179389398.db2.gz OCTMPKLLBKKRTF-UHFFFAOYSA-N 1 0 219.332 2.098 10 0 BEAERO Cc1cccnc1[C@@H]([NH3+])c1cccs1 ZINC000043616545 179397718 /nfs/dbraw/zinc/39/77/18/179397718.db2.gz FSJRCDGVGIPQIU-JTQLQIEISA-N 1 0 204.298 2.500 10 0 BEAERO Cc1ccn(-c2ccc(C[C@@H](C)[NH3+])cc2C)n1 ZINC000104282333 179399002 /nfs/dbraw/zinc/39/90/02/179399002.db2.gz QWFAKMIBVPEPLX-LLVKDONJSA-N 1 0 229.327 2.379 10 0 BEAERO C[C@H]([C@H](C)[NH3+])[S@@](=O)[C@H]1CCC[C@@H](C)C1 ZINC000251679041 362897107 /nfs/dbraw/zinc/89/71/07/362897107.db2.gz GTAAITNSROVSJG-AHMQBVQWSA-N 1 0 217.378 2.050 10 0 BEAERO Cc1cccnc1OCC[C@@H]1CCC[NH2+]C1 ZINC000051918427 179396401 /nfs/dbraw/zinc/39/64/01/179396401.db2.gz NMTHTRATTQENPW-LBPRGKRZSA-N 1 0 220.316 2.159 10 0 BEAERO CC(C)[C@@H]1CC[C@H](O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246188 538004232 /nfs/dbraw/zinc/00/42/32/538004232.db2.gz RFLYRZHFFCKNJD-RNJOBUHISA-N 1 0 211.349 2.029 10 0 BEAERO C[C@@H]1CC[C@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725245858 538004607 /nfs/dbraw/zinc/00/46/07/538004607.db2.gz YEBSRRONINMAET-SKDRFNHKSA-N 1 0 213.321 2.093 10 0 BEAERO CC(C)CC(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000121144100 348464747 /nfs/dbraw/zinc/46/47/47/348464747.db2.gz LZMPGNYXIARUOS-AWEZNQCLSA-N 1 0 240.391 2.317 10 0 BEAERO CCC(CC)(CC)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000121156828 348473781 /nfs/dbraw/zinc/47/37/81/348473781.db2.gz XMPHCINBDPWKCM-ZDUSSCGKSA-N 1 0 240.391 2.461 10 0 BEAERO CC(C)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000308775771 348543137 /nfs/dbraw/zinc/54/31/37/348543137.db2.gz DHBKUJOWXGKUKG-LLVKDONJSA-N 1 0 213.365 2.419 10 0 BEAERO [NH3+][C@@H]1CCN(c2ccc(F)cc2Cl)C1 ZINC000037483307 348621384 /nfs/dbraw/zinc/62/13/84/348621384.db2.gz XJMXLJOKBJPZNA-MRVPVSSYSA-N 1 0 214.671 2.017 10 0 BEAERO C[N@H+](Cc1ccsc1)[C@H]1CCC[C@@H]1O ZINC000037489698 348622534 /nfs/dbraw/zinc/62/25/34/348622534.db2.gz GGNODZFCBYZGDB-QWRGUYRKSA-N 1 0 211.330 2.093 10 0 BEAERO Cc1cnc(C)c(NCc2ccc(C[NH3+])cc2)n1 ZINC000037748165 179580763 /nfs/dbraw/zinc/58/07/63/179580763.db2.gz ZPNYSHPGNUWOBS-UHFFFAOYSA-N 1 0 242.326 2.164 10 0 BEAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114473342 323194366 /nfs/dbraw/zinc/19/43/66/323194366.db2.gz VEPCQNMVVGVMGA-GHMZBOCLSA-N 1 0 228.380 2.171 10 0 BEAERO CCCN1C[C@@]2(C[C@@H]2[NH3+])c2cc(C)ccc21 ZINC000725246942 538009767 /nfs/dbraw/zinc/00/97/67/538009767.db2.gz BJWJKNXVHFYOCV-KBPBESRZSA-N 1 0 216.328 2.194 10 0 BEAERO [NH3+][C@@H]1C[C@]12CNc1c2c(Cl)ccc1Cl ZINC000725247316 538011142 /nfs/dbraw/zinc/01/11/42/538011142.db2.gz MDVVREBKRCHWQO-XCBNKYQSSA-N 1 0 229.110 2.388 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@]1(C[C@H]1[NH3+])CN2 ZINC000725246989 538011222 /nfs/dbraw/zinc/01/12/22/538011222.db2.gz CPGFOMCYNGSSPO-OCCSQVGLSA-N 1 0 216.328 2.378 10 0 BEAERO [NH3+][C@H]1C[C@@]12CNc1c2c(Cl)ccc1Cl ZINC000725247314 538012209 /nfs/dbraw/zinc/01/22/09/538012209.db2.gz MDVVREBKRCHWQO-OIBJUYFYSA-N 1 0 229.110 2.388 10 0 BEAERO COc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290030 348961779 /nfs/dbraw/zinc/96/17/79/348961779.db2.gz XHCKRMJQWNSDEH-NSHDSACASA-N 1 0 248.326 2.023 10 0 BEAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290495 348962251 /nfs/dbraw/zinc/96/22/51/348962251.db2.gz JNSDNRUKYAGLHG-LBPRGKRZSA-N 1 0 232.327 2.039 10 0 BEAERO C[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054290769 348962890 /nfs/dbraw/zinc/96/28/90/348962890.db2.gz YOXHIUJIPIYHAR-FRRDWIJNSA-N 1 0 238.375 2.071 10 0 BEAERO CC[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054290920 348962900 /nfs/dbraw/zinc/96/29/00/348962900.db2.gz XPCFAHFNWLSRAO-STQMWFEESA-N 1 0 238.375 2.025 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000054292706 348964179 /nfs/dbraw/zinc/96/41/79/348964179.db2.gz LPBMNWAKYGBEKI-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)CC(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616573407 349070055 /nfs/dbraw/zinc/07/00/55/349070055.db2.gz RZGFHYRDRRKHFS-LLVKDONJSA-N 1 0 234.343 2.369 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])c1nnc(C2CCC2)[nH]1 ZINC000616574621 349080356 /nfs/dbraw/zinc/08/03/56/349080356.db2.gz UFMGKAUKENZUBS-QMMMGPOBSA-N 1 0 208.309 2.118 10 0 BEAERO CC(C)C[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1[NH3+] ZINC000616571833 349061277 /nfs/dbraw/zinc/06/12/77/349061277.db2.gz SHLCBWVIIZYOIH-STQMWFEESA-N 1 0 238.375 2.008 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@@H](CC)[C@H]([NH3+])C1 ZINC000616572133 349064938 /nfs/dbraw/zinc/06/49/38/349064938.db2.gz VJXXHCOSSBILCL-QJPTWQEYSA-N 1 0 226.364 2.008 10 0 BEAERO C/C=C(/C)C(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616573192 349067963 /nfs/dbraw/zinc/06/79/63/349067963.db2.gz QPZRBAZEUAGVMY-FGUAACIASA-N 1 0 232.327 2.289 10 0 BEAERO Cc1csc(C2([NH2+]CC(C)(C)O)CCC2)n1 ZINC000264856725 179767795 /nfs/dbraw/zinc/76/77/95/179767795.db2.gz KUFFFTDFGRJECN-UHFFFAOYSA-N 1 0 240.372 2.191 10 0 BEAERO Cc1cc(C(F)F)nc([C@H]([NH3+])C2CC2)n1 ZINC000616577690 349117818 /nfs/dbraw/zinc/11/78/18/349117818.db2.gz KROBRJYUPVSZSO-MRVPVSSYSA-N 1 0 213.231 2.132 10 0 BEAERO CO[C@@]1(COc2cccc(C)c2)CCC[NH2+]C1 ZINC000616578680 349126130 /nfs/dbraw/zinc/12/61/30/349126130.db2.gz NKXGSCWCSPHVLC-AWEZNQCLSA-N 1 0 235.327 2.142 10 0 BEAERO CCC(CC)[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616579116 349130201 /nfs/dbraw/zinc/13/02/01/349130201.db2.gz QXHXOXJWPAJNFL-CYBMUJFWSA-N 1 0 222.376 2.391 10 0 BEAERO CO[C@H]1CCC[NH2+][C@H]1Cc1ccc(F)cc1 ZINC000616579873 349206541 /nfs/dbraw/zinc/20/65/41/349206541.db2.gz SAIBHQGMJWUVKG-STQMWFEESA-N 1 0 223.291 2.135 10 0 BEAERO CC[C@@H](C)c1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253380 538037455 /nfs/dbraw/zinc/03/74/55/538037455.db2.gz JRVUMDZGUVFQLS-RKDXNWHRSA-N 1 0 207.321 2.270 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000211779918 349283218 /nfs/dbraw/zinc/28/32/18/349283218.db2.gz KRIBOEIJXHFSQL-AAEUAGOBSA-N 1 0 240.391 2.317 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccccn1 ZINC000160848027 349331067 /nfs/dbraw/zinc/33/10/67/349331067.db2.gz YJMKRUFZKGKVOS-FPMFFAJLSA-N 1 0 234.343 2.426 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccco1)CC2 ZINC000160841942 349335646 /nfs/dbraw/zinc/33/56/46/349335646.db2.gz XKPRMTPTRLGDCI-OCCSQVGLSA-N 1 0 235.327 2.407 10 0 BEAERO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000309020407 349305587 /nfs/dbraw/zinc/30/55/87/349305587.db2.gz WRXFZCULNRXCFY-ZDEQEGDKSA-N 1 0 213.365 2.418 10 0 BEAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1CCO ZINC000616583514 349314733 /nfs/dbraw/zinc/31/47/33/349314733.db2.gz DPAZBLUMINNSPJ-CQSZACIVSA-N 1 0 219.328 2.377 10 0 BEAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000616583586 349317150 /nfs/dbraw/zinc/31/71/50/349317150.db2.gz FNOSBBUAAHLSJY-CYBMUJFWSA-N 1 0 219.328 2.377 10 0 BEAERO Cc1nc(-c2ccco2)sc1CC[NH3+] ZINC000041217559 179868885 /nfs/dbraw/zinc/86/88/85/179868885.db2.gz ZAUIFWZYOFJWKA-UHFFFAOYSA-N 1 0 208.286 2.213 10 0 BEAERO C[C@@H](O)CC[NH2+][C@H](C)Cc1cccs1 ZINC000125234025 490254329 /nfs/dbraw/zinc/25/43/29/490254329.db2.gz HWGCJCOCLXVCJW-NXEZZACHSA-N 1 0 213.346 2.040 10 0 BEAERO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]2CCCO)O1 ZINC000160833597 349323310 /nfs/dbraw/zinc/32/33/10/349323310.db2.gz PCYCPJVSBUBKPC-CHWSQXEVSA-N 1 0 241.375 2.181 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1CC12CCOCC2)C1CC1 ZINC000336749148 538042633 /nfs/dbraw/zinc/04/26/33/538042633.db2.gz DZFRGUDHYNZNHU-PWSUYJOCSA-N 1 0 209.333 2.191 10 0 BEAERO CCCC1(c2nc(C3CC3)no2)CC[NH2+]CC1 ZINC000062845640 168603534 /nfs/dbraw/zinc/60/35/34/168603534.db2.gz MKWROCGHMNVQGZ-UHFFFAOYSA-N 1 0 235.331 2.368 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000324541194 323240741 /nfs/dbraw/zinc/24/07/41/323240741.db2.gz RRYBUUBAQHMXCX-NEPJUHHUSA-N 1 0 241.375 2.085 10 0 BEAERO [NH3+]C[C@@H](CC1CC1)c1cnc(C(F)(F)F)nc1 ZINC000217367500 350052025 /nfs/dbraw/zinc/05/20/25/350052025.db2.gz XNAHBZICUIMJNE-MRVPVSSYSA-N 1 0 245.248 2.338 10 0 BEAERO Cc1nc(C[C@H]([NH3+])c2ccncc2)cs1 ZINC000057500603 179984663 /nfs/dbraw/zinc/98/46/63/179984663.db2.gz HYIRPRUQVWSPHZ-NSHDSACASA-N 1 0 219.313 2.089 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2ccc3ccccc3n2)C1 ZINC000616613756 350067253 /nfs/dbraw/zinc/06/72/53/350067253.db2.gz PMCKCMKMNHXYKD-ZDUSSCGKSA-N 1 0 242.322 2.016 10 0 BEAERO [NH2+]=C(c1ccccc1)N1CCSCC1 ZINC000062989926 350100402 /nfs/dbraw/zinc/10/04/02/350100402.db2.gz CHXHSXMBUHKWQP-UHFFFAOYSA-N 1 0 206.314 2.061 10 0 BEAERO Cc1nc(CC(=[NH2+])NC(C)(C)C)cs1 ZINC000062994862 350111964 /nfs/dbraw/zinc/11/19/64/350111964.db2.gz RHDWZFXQOXCIDU-UHFFFAOYSA-N 1 0 211.334 2.359 10 0 BEAERO C[C@@H](C1CC1)[N@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC000042123189 323242467 /nfs/dbraw/zinc/24/24/67/323242467.db2.gz HUUMOIHMHPTBOW-JTQLQIEISA-N 1 0 238.375 2.164 10 0 BEAERO Cc1nc(N2CCCC2)sc1C[NH2+]C1CC1 ZINC000045206752 180000332 /nfs/dbraw/zinc/00/03/32/180000332.db2.gz XAOGZTUOHIAVIW-UHFFFAOYSA-N 1 0 237.372 2.304 10 0 BEAERO C[C@H](Cc1ccccc1)N1CCC[C@@H]([NH3+])C1 ZINC000218353803 350089934 /nfs/dbraw/zinc/08/99/34/350089934.db2.gz CEVQEUCFYMODHT-TZMCWYRMSA-N 1 0 218.344 2.041 10 0 BEAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cncc(F)c1 ZINC000131991608 191019843 /nfs/dbraw/zinc/01/98/43/191019843.db2.gz WRSVDYHXDPRKDM-MFKMUULPSA-N 1 0 238.306 2.440 10 0 BEAERO Cc1nc([C@H](C)N[C@@H]2C[N@H+](C)C[C@H]2C)cs1 ZINC000336731348 180051834 /nfs/dbraw/zinc/05/18/34/180051834.db2.gz FFYBSETZPDNCPO-WCABBAIRSA-N 1 0 239.388 2.052 10 0 BEAERO Cc1nc([C@H]([NH3+])Cc2ccccc2)[nH]c1C ZINC000036873967 180052488 /nfs/dbraw/zinc/05/24/88/180052488.db2.gz PFGRACVBXDCHKR-GFCCVEGCSA-N 1 0 215.300 2.269 10 0 BEAERO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COC(C)C ZINC000219296501 350120493 /nfs/dbraw/zinc/12/04/93/350120493.db2.gz GPDRKUHNDAHKBL-ZIAGYGMSSA-N 1 0 243.391 2.427 10 0 BEAERO Cc1nc([C@H]2C[NH2+]CC23CCCCC3)no1 ZINC000328579436 180057217 /nfs/dbraw/zinc/05/72/17/180057217.db2.gz IGSXBLBJGXREID-SNVBAGLBSA-N 1 0 221.304 2.015 10 0 BEAERO Cc1nc([C@]2(N)CC[N@@H+](C(C)C)C2)sc1C ZINC000045659866 180059902 /nfs/dbraw/zinc/05/99/02/180059902.db2.gz NNCALWCDHILDLN-LBPRGKRZSA-N 1 0 239.388 2.028 10 0 BEAERO Cc1nc2c(ccc(CC[NH3+])c2C)s1 ZINC000075453364 180063569 /nfs/dbraw/zinc/06/35/69/180063569.db2.gz CQRAQZRWMGHVFJ-UHFFFAOYSA-N 1 0 206.314 2.414 10 0 BEAERO Cc1nc2c(C)cc(Cl)cn2c1C[NH3+] ZINC000082693383 180063790 /nfs/dbraw/zinc/06/37/90/180063790.db2.gz MWCMKXYQZMNAEZ-UHFFFAOYSA-N 1 0 209.680 2.063 10 0 BEAERO C[C@@H](c1ccccc1)[C@@H]([NH3+])c1ncccn1 ZINC000725255287 538051166 /nfs/dbraw/zinc/05/11/66/538051166.db2.gz YRACVUZZXYMIFW-CMPLNLGQSA-N 1 0 213.284 2.280 10 0 BEAERO Cc1cccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c1 ZINC000132568449 191033851 /nfs/dbraw/zinc/03/38/51/191033851.db2.gz BMKDOULFJJPOEN-WBMJQRKESA-N 1 0 239.384 2.242 10 0 BEAERO Cc1nc2cc(C[NH3+])ccc2n1C(C)C ZINC000062213989 180078388 /nfs/dbraw/zinc/07/83/88/180078388.db2.gz QTWRDSTXJHSGLC-UHFFFAOYSA-N 1 0 203.289 2.384 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)s1 ZINC000132583557 191034768 /nfs/dbraw/zinc/03/47/68/191034768.db2.gz MZBGJMFXKIVBCB-BONVTDFDSA-N 1 0 245.413 2.303 10 0 BEAERO Cc1[nH+]c2ccc(N(C)C)cc2c(N)c1C ZINC000050868451 180092469 /nfs/dbraw/zinc/09/24/69/180092469.db2.gz VTOCGRFDZQZYSS-UHFFFAOYSA-N 1 0 215.300 2.500 10 0 BEAERO Cc1nc2ccccn2c1C[NH2+][C@@H]1C[C@@H]1C ZINC000052273849 180107538 /nfs/dbraw/zinc/10/75/38/180107538.db2.gz SBDIRPCICOUTOC-GXSJLCMTSA-N 1 0 215.300 2.141 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)ccc1F ZINC000211640994 538062202 /nfs/dbraw/zinc/06/22/02/538062202.db2.gz DECBJGFGSJTVLI-BXKDBHETSA-N 1 0 226.270 2.059 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCSC)C12CCC2 ZINC000309183090 350158183 /nfs/dbraw/zinc/15/81/83/350158183.db2.gz ODDWEQXIXNQVLL-GARJFASQSA-N 1 0 229.389 2.143 10 0 BEAERO c1ccc([C@@H]2OC[C@@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000031703250 350160368 /nfs/dbraw/zinc/16/03/68/350160368.db2.gz XKGUUISNOPCNKA-HZSPNIEDSA-N 1 0 233.311 2.243 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513972 350161118 /nfs/dbraw/zinc/16/11/18/350161118.db2.gz DRCGNHXMUPJQKP-IGQOVBAYSA-N 1 0 222.376 2.249 10 0 BEAERO CCC[C@@](C)(C[NH3+])NC(=O)OC(C)(C)C ZINC000220243466 350167269 /nfs/dbraw/zinc/16/72/69/350167269.db2.gz UIPGQYPLCLBMBU-NSHDSACASA-N 1 0 216.325 2.029 10 0 BEAERO C[C@H](c1cscn1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309198255 350168317 /nfs/dbraw/zinc/16/83/17/350168317.db2.gz MJLXPVGXFVWXOI-CKYFFXLPSA-N 1 0 239.388 2.121 10 0 BEAERO Cc1ncc(C[NH2+][C@H]2CCCCC[C@H]2O)s1 ZINC000040997927 180157734 /nfs/dbraw/zinc/15/77/34/180157734.db2.gz UJAOTFWMSYJIIQ-NWDGAFQWSA-N 1 0 240.372 2.235 10 0 BEAERO CCC[C@@H]1CCCC[C@H]1[NH2+]CCN(C)C ZINC000309237489 350216289 /nfs/dbraw/zinc/21/62/89/350216289.db2.gz XTQGMOUBYATGCW-CHWSQXEVSA-N 1 0 212.381 2.497 10 0 BEAERO O=C(CC[C@@H]1CC[NH2+]C1)NCCC1CCCC1 ZINC000134506071 538071511 /nfs/dbraw/zinc/07/15/11/538071511.db2.gz LNRGEOGHHWYIRJ-CYBMUJFWSA-N 1 0 238.375 2.073 10 0 BEAERO Cc1[nH+]ccc(N[C@H](C)[C@H](C)O)c1Cl ZINC000307142586 180204565 /nfs/dbraw/zinc/20/45/65/180204565.db2.gz KFPHZGVSVRXMRS-SVRRBLITSA-N 1 0 214.696 2.225 10 0 BEAERO Cc1nccc(C[NH2+]CCc2ccccc2)n1 ZINC000037997765 180188934 /nfs/dbraw/zinc/18/89/34/180188934.db2.gz DQWULPSTKKEUHB-UHFFFAOYSA-N 1 0 227.311 2.117 10 0 BEAERO Cc1ncccc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000165320743 180228460 /nfs/dbraw/zinc/22/84/60/180228460.db2.gz FCQFRXWNMRZLSC-ZYHUDNBSSA-N 1 0 231.343 2.427 10 0 BEAERO Cc1nccn1CC[NH2+]CCc1ccccc1 ZINC000049329867 180260752 /nfs/dbraw/zinc/26/07/52/180260752.db2.gz XMKSQFABQCQYEQ-UHFFFAOYSA-N 1 0 229.327 2.024 10 0 BEAERO Cc1nccn1CC[NH2+]CCCc1ccccc1 ZINC000049330203 180260871 /nfs/dbraw/zinc/26/08/71/180260871.db2.gz ZLKJUNUPVFCDEY-UHFFFAOYSA-N 1 0 243.354 2.414 10 0 BEAERO CC[C@@H]1CCC(OC)(OC)[C@H](CC[NH3+])C1 ZINC000725261950 538087708 /nfs/dbraw/zinc/08/77/08/538087708.db2.gz OEPGXXMPNJEGSO-GHMZBOCLSA-N 1 0 215.337 2.151 10 0 BEAERO Cc1nccn1CCOc1ccc([C@H](C)[NH3+])cc1 ZINC000049329344 180263281 /nfs/dbraw/zinc/26/32/81/180263281.db2.gz QOHLTPSSOXSALQ-NSHDSACASA-N 1 0 245.326 2.290 10 0 BEAERO Cc1nccn1[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915853 180271464 /nfs/dbraw/zinc/27/14/64/180271464.db2.gz MLJBYISACZGJDJ-NOZJJQNGSA-N 1 0 233.290 2.267 10 0 BEAERO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000037678976 350286327 /nfs/dbraw/zinc/28/63/27/350286327.db2.gz ZOBULRKFRDQAGG-UONOGXRCSA-N 1 0 249.354 2.478 10 0 BEAERO Cc1nccn1[C@@H](CC[NH3+])c1ccccc1 ZINC000055017776 180271596 /nfs/dbraw/zinc/27/15/96/180271596.db2.gz IPDQHDAFTMVJMA-ZDUSSCGKSA-N 1 0 215.300 2.130 10 0 BEAERO CC[C@H]1CCC(OC)(OC)[C@@H](CC[NH3+])C1 ZINC000725261952 538087826 /nfs/dbraw/zinc/08/78/26/538087826.db2.gz OEPGXXMPNJEGSO-QWRGUYRKSA-N 1 0 215.337 2.151 10 0 BEAERO Cc1nccn1[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000037159992 180272295 /nfs/dbraw/zinc/27/22/95/180272295.db2.gz RTCJNKCWBUVEJM-NWDGAFQWSA-N 1 0 207.321 2.272 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000324372604 350295718 /nfs/dbraw/zinc/29/57/18/350295718.db2.gz UJHIBZVRVSDKTL-VHSXEESVSA-N 1 0 235.318 2.418 10 0 BEAERO Cc1ncn([C@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC000051926452 180288985 /nfs/dbraw/zinc/28/89/85/180288985.db2.gz LDMPNTXERQRTJD-UONOGXRCSA-N 1 0 227.311 2.297 10 0 BEAERO CCc1csc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000068890567 350299469 /nfs/dbraw/zinc/29/94/69/350299469.db2.gz FCKGNVIQGMFRBL-JTQLQIEISA-N 1 0 227.377 2.491 10 0 BEAERO Cc1ncn([C@@H](C[NH3+])c2ccccc2)c1C ZINC000051925867 180289713 /nfs/dbraw/zinc/28/97/13/180289713.db2.gz MQKRDWUNAFJBLU-ZDUSSCGKSA-N 1 0 215.300 2.048 10 0 BEAERO Cc1ncn([C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000051926063 180289831 /nfs/dbraw/zinc/28/98/31/180289831.db2.gz HSRPIGQHXDWNRT-VXGBXAGGSA-N 1 0 207.321 2.190 10 0 BEAERO Cc1ncn([C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000051926066 180289840 /nfs/dbraw/zinc/28/98/40/180289840.db2.gz HSRPIGQHXDWNRT-RYUDHWBXSA-N 1 0 207.321 2.190 10 0 BEAERO Cc1ncn([C@@H](c2ccsc2)[C@@H](C)[NH3+])c1C ZINC000051925923 180289999 /nfs/dbraw/zinc/28/99/99/180289999.db2.gz NFQIHXUGFQNRAE-PRHODGIISA-N 1 0 235.356 2.498 10 0 BEAERO CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]1 ZINC000725262054 538088005 /nfs/dbraw/zinc/08/80/05/538088005.db2.gz TZAIXNPXRPFETO-AXFHLTTASA-N 1 0 242.363 2.430 10 0 BEAERO [NH3+][C@@H](CO)c1ccc(SC(F)(F)F)cc1 ZINC000038124673 350307205 /nfs/dbraw/zinc/30/72/05/350307205.db2.gz GADBDLXQPZPQLW-QMMMGPOBSA-N 1 0 237.246 2.291 10 0 BEAERO [NH3+][C@H](Cc1ccsc1)c1ccncc1 ZINC000038127733 350307897 /nfs/dbraw/zinc/30/78/97/350307897.db2.gz GKZJRFDKISEPSX-LLVKDONJSA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@H](Cc1cccs1)c1cccnc1 ZINC000038128691 350308682 /nfs/dbraw/zinc/30/86/82/350308682.db2.gz DHNQNNPMJGABNI-LLVKDONJSA-N 1 0 204.298 2.386 10 0 BEAERO Cc1ncsc1CCOCC[NH2+]C(C)(C)C ZINC000052623387 180311101 /nfs/dbraw/zinc/31/11/01/180311101.db2.gz LJWKUODSUBBMBX-UHFFFAOYSA-N 1 0 242.388 2.399 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(OC(F)F)cn1 ZINC000327726150 350358833 /nfs/dbraw/zinc/35/88/33/350358833.db2.gz FZBXNECZPKTDGZ-HTQZYQBOSA-N 1 0 245.273 2.221 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(OC(F)F)cn1 ZINC000327726153 350358949 /nfs/dbraw/zinc/35/89/49/350358949.db2.gz FZBXNECZPKTDGZ-SFYZADRCSA-N 1 0 245.273 2.221 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000040673144 180327212 /nfs/dbraw/zinc/32/72/12/180327212.db2.gz JUSQGPZGJHZGCV-QWRGUYRKSA-N 1 0 239.388 2.196 10 0 BEAERO Cc1nn(C(C)(C)C)c(C)c1[C@H](C)C[NH3+] ZINC000082641181 180332848 /nfs/dbraw/zinc/33/28/48/180332848.db2.gz YZHRZZTXTWNCGZ-MRVPVSSYSA-N 1 0 209.337 2.317 10 0 BEAERO CC(C)[C@H](C)C(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000725264642 538091794 /nfs/dbraw/zinc/09/17/94/538091794.db2.gz ZDOQPQRCYBLMCL-OUCADQQQSA-N 1 0 238.375 2.151 10 0 BEAERO O=C(c1ccc(Cl)cc1F)[C@@H]1CC[NH2+]C1 ZINC000226331834 350420735 /nfs/dbraw/zinc/42/07/35/350420735.db2.gz PORTVAGRLKSULI-SSDOTTSWSA-N 1 0 227.666 2.271 10 0 BEAERO CCc1ccc(C(=O)C2([NH3+])CCC2)cc1 ZINC000226780953 350453757 /nfs/dbraw/zinc/45/37/57/350453757.db2.gz AHLDGWHCPLBLNF-UHFFFAOYSA-N 1 0 203.285 2.313 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)CC1 ZINC000616592597 350468318 /nfs/dbraw/zinc/46/83/18/350468318.db2.gz CSPCCTUOZRZPKS-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CC(C)NC(=O)c1ccc2cc(CC[NH3+])oc2c1 ZINC000725264915 538093428 /nfs/dbraw/zinc/09/34/28/538093428.db2.gz VCGCTEHQZYDFBP-UHFFFAOYSA-N 1 0 246.310 2.072 10 0 BEAERO Cc1nn(C)cc1C[NH2+][C@H](C)C1CCCC1 ZINC000126042607 180376091 /nfs/dbraw/zinc/37/60/91/180376091.db2.gz SZZZKQVYLRNDBU-SNVBAGLBSA-N 1 0 221.348 2.397 10 0 BEAERO FC[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)o1 ZINC000409422440 350474135 /nfs/dbraw/zinc/47/41/35/350474135.db2.gz FYUWREHJIJGBCQ-BQBZGAKWSA-N 1 0 248.095 2.315 10 0 BEAERO OC1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC000409434638 350478810 /nfs/dbraw/zinc/47/88/10/350478810.db2.gz ZOXNDHNJARRSBL-UHFFFAOYSA-N 1 0 231.339 2.424 10 0 BEAERO [NH3+]Cc1cnc(-c2ccncc2)c(Cl)c1 ZINC000409436601 350479585 /nfs/dbraw/zinc/47/95/85/350479585.db2.gz MBJZTEIEAYUCLZ-UHFFFAOYSA-N 1 0 219.675 2.256 10 0 BEAERO FC1(F)[C@@H]2C[NH2+]CC[C@@]21c1ccsc1 ZINC000409436626 350479872 /nfs/dbraw/zinc/47/98/72/350479872.db2.gz OAEHUSCJZZBTSH-RKDXNWHRSA-N 1 0 215.268 2.244 10 0 BEAERO c1csc(-c2cnn(C[C@H]3CCC[NH2+]3)c2)c1 ZINC000409437382 350481164 /nfs/dbraw/zinc/48/11/64/350481164.db2.gz GNYFXBZGBLEYKT-LLVKDONJSA-N 1 0 233.340 2.364 10 0 BEAERO CC(C)Cn1nc(C(F)(F)F)cc1C[NH3+] ZINC000409442799 350483527 /nfs/dbraw/zinc/48/35/27/350483527.db2.gz ARKDWQKMJJPPNG-UHFFFAOYSA-N 1 0 221.226 2.017 10 0 BEAERO Cc1nn([C@@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000050586795 180392185 /nfs/dbraw/zinc/39/21/85/180392185.db2.gz GROXUUOMRSVKLA-SECBINFHSA-N 1 0 213.712 2.078 10 0 BEAERO Cc1nn([C@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC000040729370 180393516 /nfs/dbraw/zinc/39/35/16/180393516.db2.gz QZIIERGKPKJILM-NEPJUHHUSA-N 1 0 207.321 2.251 10 0 BEAERO Cc1nn([C@H]2CC[N@@H+](C(C)C)C2)c(N)c1Cl ZINC000045658304 180393543 /nfs/dbraw/zinc/39/35/43/180393543.db2.gz DRSHLQBATSGWMW-VIFPVBQESA-N 1 0 242.754 2.082 10 0 BEAERO Cc1nn(CC(F)(F)F)c(C)c1C[NH2+]C1CC1 ZINC000054717435 180386859 /nfs/dbraw/zinc/38/68/59/180386859.db2.gz LDDVLFYUYHINDN-UHFFFAOYSA-N 1 0 247.264 2.314 10 0 BEAERO COCC[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070068804 350497982 /nfs/dbraw/zinc/49/79/82/350497982.db2.gz SJWVCFQWSGPKMU-PWSUYJOCSA-N 1 0 221.300 2.135 10 0 BEAERO c1csc(-c2cnnn2[C@H]2CCC[NH2+]CC2)c1 ZINC000725266099 538094331 /nfs/dbraw/zinc/09/43/31/538094331.db2.gz MIQPIQQWFCZLGX-JTQLQIEISA-N 1 0 248.355 2.321 10 0 BEAERO Cc1nn(CC[NH2+]C(C)(C)C)c(C)c1C ZINC000042302786 180389728 /nfs/dbraw/zinc/38/97/28/180389728.db2.gz WRYYSIRDOWMZRO-UHFFFAOYSA-N 1 0 209.337 2.196 10 0 BEAERO CSCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163177324 350505127 /nfs/dbraw/zinc/50/51/27/350505127.db2.gz NGGXQHWCJZPCST-XQQFMLRXSA-N 1 0 243.416 2.365 10 0 BEAERO C[C@@H]([NH3+])CCNc1nc2ccccc2s1 ZINC000063171789 350574398 /nfs/dbraw/zinc/57/43/98/350574398.db2.gz WUFHGOAJKNZGBW-MRVPVSSYSA-N 1 0 221.329 2.446 10 0 BEAERO CC(C)CN1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000336650158 350575513 /nfs/dbraw/zinc/57/55/13/350575513.db2.gz DPEWTJHYRJYMND-MELADBBJSA-N 1 0 224.392 2.352 10 0 BEAERO CC[C@@]1(NC(=O)OC(C)(C)C)CCC[NH2+]C1 ZINC000220524547 490607302 /nfs/dbraw/zinc/60/73/02/490607302.db2.gz WEEAKLWNDDAKIM-GFCCVEGCSA-N 1 0 228.336 2.043 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccccc2CO)CC1 ZINC000616593392 350580613 /nfs/dbraw/zinc/58/06/13/350580613.db2.gz JMSRDTRKDPCQNN-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccncc2)CC1 ZINC000616593793 350585141 /nfs/dbraw/zinc/58/51/41/350585141.db2.gz LMKQUHWJVUVPGJ-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)CC1 ZINC000616594917 350596282 /nfs/dbraw/zinc/59/62/82/350596282.db2.gz RWCVUADMGFVTSQ-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000094648680 350596977 /nfs/dbraw/zinc/59/69/77/350596977.db2.gz UGMMCWFVRHGFNF-UMSGYPCISA-N 1 0 238.375 2.022 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1ccon1 ZINC000616594753 350597067 /nfs/dbraw/zinc/59/70/67/350597067.db2.gz REYUDZNSMUVDEM-AWEZNQCLSA-N 1 0 243.310 2.127 10 0 BEAERO COCC[NH2+]CC[C@@H](CO)C1CCCCCC1 ZINC000725267135 538097368 /nfs/dbraw/zinc/09/73/68/538097368.db2.gz RLTSEPIXPSVKLJ-AWEZNQCLSA-N 1 0 243.391 2.191 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384878338 350609878 /nfs/dbraw/zinc/60/98/78/350609878.db2.gz JKFRKXIOPKTKES-REWJHTLYSA-N 1 0 242.407 2.118 10 0 BEAERO CC(=O)Nc1cccc([C@@H]2CC[N@H+](C)CCO2)c1 ZINC000616595829 350611664 /nfs/dbraw/zinc/61/16/64/350611664.db2.gz ZBJSMSFRWUVSPT-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2ccnc3ccccc32)C1 ZINC000616596834 350637561 /nfs/dbraw/zinc/63/75/61/350637561.db2.gz CLSBORMWYZEQHZ-LBPRGKRZSA-N 1 0 242.322 2.280 10 0 BEAERO COCCC[NH2+]CC[C@H](CO)C1CCCCC1 ZINC000725267317 538097558 /nfs/dbraw/zinc/09/75/58/538097558.db2.gz ZAHCWUSRTGEOJP-CQSZACIVSA-N 1 0 243.391 2.191 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ccnc(N)c1 ZINC000616598334 350659783 /nfs/dbraw/zinc/65/97/83/350659783.db2.gz WTNIHZPSZJRVFF-LBPRGKRZSA-N 1 0 249.358 2.056 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@@H](C)CCc1ccccc1 ZINC000725267345 538098503 /nfs/dbraw/zinc/09/85/03/538098503.db2.gz ZRFLZIUMOHGJPN-ZFWWWQNUSA-N 1 0 235.371 2.473 10 0 BEAERO Cc1noc(CC[NH2+]Cc2c(C)cccc2C)n1 ZINC000091059865 180484000 /nfs/dbraw/zinc/48/40/00/180484000.db2.gz VHNYJMPFTIPLRQ-UHFFFAOYSA-N 1 0 245.326 2.327 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc(OC)c1 ZINC000616598561 350676338 /nfs/dbraw/zinc/67/63/38/350676338.db2.gz DQAHPOKSGPWMQF-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccno2)C1 ZINC000616598720 350688170 /nfs/dbraw/zinc/68/81/70/350688170.db2.gz PVVUXUJMASHSIU-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2cccc3cnccc32)C1 ZINC000616598755 350688420 /nfs/dbraw/zinc/68/84/20/350688420.db2.gz QXULQTDVTNZZEP-ZDUSSCGKSA-N 1 0 242.322 2.280 10 0 BEAERO C[C@@H]1[C@@H](O)CCCN1Cc1cncc(Cl)c1 ZINC000621298761 350760101 /nfs/dbraw/zinc/76/01/01/350760101.db2.gz INTPAMKXGJJWFX-SKDRFNHKSA-N 1 0 240.734 2.080 10 0 BEAERO CCC(C)(C)[NH2+]CC[C@@H](CO)[C@@H]1CCCOC1 ZINC000725267818 538099240 /nfs/dbraw/zinc/09/92/40/538099240.db2.gz ZWNGVOSGXVOVNK-QWHCGFSZSA-N 1 0 243.391 2.190 10 0 BEAERO CC[N@@H+]1CC[C@H](c2ccccc2CCO)C1 ZINC000616613949 350821224 /nfs/dbraw/zinc/82/12/24/350821224.db2.gz WFQRQCUSXVFWNX-ZDUSSCGKSA-N 1 0 219.328 2.031 10 0 BEAERO CC[C@@H](C[NH2+]CC(C)(C)O)CC(F)(F)F ZINC000402510566 350784049 /nfs/dbraw/zinc/78/40/49/350784049.db2.gz HTBXRLINQWLVDJ-MRVPVSSYSA-N 1 0 227.270 2.326 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccnc2ccccc21 ZINC000616602649 350787562 /nfs/dbraw/zinc/78/75/62/350787562.db2.gz AKSWMOMJXOKJGR-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO OCCc1ccc([C@@H]2CCC[NH2+]CC2)cc1 ZINC000616602931 350789144 /nfs/dbraw/zinc/78/91/44/350789144.db2.gz SFQOMWGLUHUCOD-CYBMUJFWSA-N 1 0 219.328 2.079 10 0 BEAERO CNc1ccccc1[C@H]1CCC[N@H+](CCO)CC1 ZINC000616602143 350790870 /nfs/dbraw/zinc/79/08/70/350790870.db2.gz XQHGOFOBLJUWHW-ZDUSSCGKSA-N 1 0 248.370 2.290 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ccncn2)CC1 ZINC000616602526 350791673 /nfs/dbraw/zinc/79/16/73/350791673.db2.gz ZDSOUFPZJPJEBI-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO CNc1ccccc1[C@@H]1CCC[N@H+](CCO)CC1 ZINC000616602452 350791875 /nfs/dbraw/zinc/79/18/75/350791875.db2.gz XQHGOFOBLJUWHW-CYBMUJFWSA-N 1 0 248.370 2.290 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2cccnn2)C1 ZINC000616604512 350793410 /nfs/dbraw/zinc/79/34/10/350793410.db2.gz QRJSKNGTPVMTEH-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO CCN1CC[NH2+][C@H](c2cccc3cnccc32)C1 ZINC000616604635 350793611 /nfs/dbraw/zinc/79/36/11/350793611.db2.gz XWMBMCKUESUUEI-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1nccc2ccccc21 ZINC000616604648 350793632 /nfs/dbraw/zinc/79/36/32/350793632.db2.gz LYZCOFLMWUYPEP-AWEZNQCLSA-N 1 0 241.338 2.201 10 0 BEAERO OCCc1cccc([C@@H]2CCCC[NH2+]C2)c1 ZINC000616605244 350794088 /nfs/dbraw/zinc/79/40/88/350794088.db2.gz JIGFDYLWRLXLKR-CQSZACIVSA-N 1 0 219.328 2.079 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cn[nH]n2)C1 ZINC000616605015 350794106 /nfs/dbraw/zinc/79/41/06/350794106.db2.gz VSNGEFYIIZPJGN-JTQLQIEISA-N 1 0 222.336 2.173 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2ccnnc2)C1 ZINC000616605894 350795746 /nfs/dbraw/zinc/79/57/46/350795746.db2.gz YJHFQYWYGDDUKG-GFCCVEGCSA-N 1 0 205.305 2.066 10 0 BEAERO CC[N@@H+]1CCC[C@H]1c1cccc(CCO)c1 ZINC000616606751 350798168 /nfs/dbraw/zinc/79/81/68/350798168.db2.gz IEXVJJCIBMHZGP-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1c1cccc(CO)c1 ZINC000616607021 350798847 /nfs/dbraw/zinc/79/88/47/350798847.db2.gz OTFWRSHRQDNVQN-CYBMUJFWSA-N 1 0 205.301 2.336 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1ccc2ccccc2n1 ZINC000616607572 350800895 /nfs/dbraw/zinc/80/08/95/350800895.db2.gz JYBHJXUYAWIKSU-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO C[N@@H+]1CCC[C@@H]1c1ccc2nnccc2c1 ZINC000616607866 350802199 /nfs/dbraw/zinc/80/21/99/350802199.db2.gz ZIDOHKTYSKUADL-CYBMUJFWSA-N 1 0 213.284 2.397 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccnnc2)CC1 ZINC000616609704 350803830 /nfs/dbraw/zinc/80/38/30/350803830.db2.gz HKVVFQJPQPEIRY-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1ccc2ccncc2c1 ZINC000616608299 350804646 /nfs/dbraw/zinc/80/46/46/350804646.db2.gz RIMPVPDYZXEPAV-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000306674576 350823934 /nfs/dbraw/zinc/82/39/34/350823934.db2.gz QRJNVURLHJCFDL-XPUUQOCRSA-N 1 0 207.289 2.268 10 0 BEAERO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C)CC1 ZINC000616611415 350809329 /nfs/dbraw/zinc/80/93/29/350809329.db2.gz QDKKCATUIZZXBF-LLVKDONJSA-N 1 0 242.363 2.338 10 0 BEAERO CNc1ccccc1[C@H]1CCCC[N@@H+]1CCO ZINC000616614520 350834377 /nfs/dbraw/zinc/83/43/77/350834377.db2.gz TWYLZHYLURVWES-CQSZACIVSA-N 1 0 234.343 2.248 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616614600 350835566 /nfs/dbraw/zinc/83/55/66/350835566.db2.gz RGNFXRHDDGBIBD-CYBMUJFWSA-N 1 0 246.354 2.373 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2ccc(CO)cc2)C1 ZINC000616614643 350836412 /nfs/dbraw/zinc/83/64/12/350836412.db2.gz UFLALUHRHFHHFE-CQSZACIVSA-N 1 0 219.328 2.377 10 0 BEAERO Cc1nc(N(C)C(C)(C)C)sc1C[NH3+] ZINC000306681426 350838092 /nfs/dbraw/zinc/83/80/92/350838092.db2.gz OCAPBHDPEBNAEW-UHFFFAOYSA-N 1 0 213.350 2.145 10 0 BEAERO [NH3+]CCN1CCCC[C@@H]1c1cccc(F)c1 ZINC000616614772 350838222 /nfs/dbraw/zinc/83/82/22/350838222.db2.gz LLZVRCMKWVYZQQ-CYBMUJFWSA-N 1 0 222.307 2.311 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000616615101 350845608 /nfs/dbraw/zinc/84/56/08/350845608.db2.gz CHSRHAGGISJANB-VIFPVBQESA-N 1 0 208.309 2.130 10 0 BEAERO COc1ccc([C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616616814 350857731 /nfs/dbraw/zinc/85/77/31/350857731.db2.gz YIHWWUDOBOELJJ-AWEZNQCLSA-N 1 0 235.327 2.215 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2cccc(CO)c2)C1 ZINC000616616985 350859152 /nfs/dbraw/zinc/85/91/52/350859152.db2.gz FIYLKEOZVHHUQN-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cccc3nnccc32)C1 ZINC000616617605 350869541 /nfs/dbraw/zinc/86/95/41/350869541.db2.gz WOPFDUCESUFAEM-NSHDSACASA-N 1 0 227.311 2.439 10 0 BEAERO CSCC[N@@H+]1C[C@@H]2CC[C@H](F)[C@H]2C1 ZINC000306676201 350828427 /nfs/dbraw/zinc/82/84/27/350828427.db2.gz VLTSEPDCOYMPMP-GUBZILKMSA-N 1 0 203.326 2.029 10 0 BEAERO CSC1([C@@H]2[NH2+]C[C@H](C)S2)CCC1 ZINC000306727417 350898733 /nfs/dbraw/zinc/89/87/33/350898733.db2.gz AUJWGUWYJXNTLI-JGVFFNPUSA-N 1 0 203.376 2.323 10 0 BEAERO CNC(=[NH2+])Nc1ccc(Br)cc1 ZINC000052069642 350900687 /nfs/dbraw/zinc/90/06/87/350900687.db2.gz LDMOUXIOVGZKJI-UHFFFAOYSA-N 1 0 228.093 2.015 10 0 BEAERO C[C@H](CO)S[C@@H]1CCCC(C)(C)[C@H]1[NH3+] ZINC000252778499 350915519 /nfs/dbraw/zinc/91/55/19/350915519.db2.gz ZNMLDGHSIQBJHV-BBBLOLIVSA-N 1 0 217.378 2.006 10 0 BEAERO Cc1nc(C(F)(F)F)sc1[C@H](C)[NH3+] ZINC000159599791 350920523 /nfs/dbraw/zinc/92/05/23/350920523.db2.gz UIJSKDGIAAOELF-VKHMYHEASA-N 1 0 210.224 2.490 10 0 BEAERO CC(C)[NH+]1CCC(c2cccc(C(N)=O)c2)CC1 ZINC000616619601 350927682 /nfs/dbraw/zinc/92/76/82/350927682.db2.gz RRPUDVJNFPQHSJ-UHFFFAOYSA-N 1 0 246.354 2.373 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000309085178 191126471 /nfs/dbraw/zinc/12/64/71/191126471.db2.gz WLBALPCFNUYWIR-LPWJVIDDSA-N 1 0 211.349 2.293 10 0 BEAERO CCn1cc[nH+]c1N[C@@H]1CS[C@H](C)C1 ZINC000306746318 350934809 /nfs/dbraw/zinc/93/48/09/350934809.db2.gz JZUUNDXPRAHMHH-BDAKNGLRSA-N 1 0 211.334 2.209 10 0 BEAERO CCc1cnc([C@H]2NCCS2)s1 ZINC000306748883 350934843 /nfs/dbraw/zinc/93/48/43/350934843.db2.gz JUDUYUNNDLQMNA-ZETCQYMHSA-N 1 0 200.332 2.041 10 0 BEAERO C[N@@H+]1CCCCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616620270 350935471 /nfs/dbraw/zinc/93/54/71/350935471.db2.gz FNYIDRMKXXNHFT-ZDUSSCGKSA-N 1 0 232.327 2.332 10 0 BEAERO Cc1csc(NC[C@@H]([NH3+])C(C)(C)C)n1 ZINC000306714802 350876183 /nfs/dbraw/zinc/87/61/83/350876183.db2.gz XRGOOGVMVLJWCV-MRVPVSSYSA-N 1 0 213.350 2.237 10 0 BEAERO C[C@H]1CN(Cc2csc(Cl)c2)C[C@@H]1[NH3+] ZINC000306723557 350890000 /nfs/dbraw/zinc/89/00/00/350890000.db2.gz HGMSULUINSTRQC-CBAPKCEASA-N 1 0 230.764 2.181 10 0 BEAERO CC(C)CNC(=[NH2+])N(C)Cc1ccccc1 ZINC000052036571 350890082 /nfs/dbraw/zinc/89/00/82/350890082.db2.gz VGDXRPPRJPIFHA-UHFFFAOYSA-N 1 0 219.332 2.299 10 0 BEAERO C[NH2+][C@H](C)c1cnc(C(F)(F)F)s1 ZINC000159601196 350941897 /nfs/dbraw/zinc/94/18/97/350941897.db2.gz RYGDQGQDXNNPPQ-SCSAIBSYSA-N 1 0 210.224 2.442 10 0 BEAERO CCNC(=[NH2+])N[C@@H](C)c1ccc(C)s1 ZINC000052044818 350895686 /nfs/dbraw/zinc/89/56/86/350895686.db2.gz NWBUDXBSHIXTEG-QMMMGPOBSA-N 1 0 211.334 2.251 10 0 BEAERO Clc1cnc([C@@H]2[NH2+]C[C@H]2C2CC2)s1 ZINC000306771410 351008020 /nfs/dbraw/zinc/00/80/20/351008020.db2.gz CITMCMMUKGQTGY-POYBYMJQSA-N 1 0 214.721 2.467 10 0 BEAERO [NH3+][C@H](Cc1cncs1)c1cccs1 ZINC000159707922 350980896 /nfs/dbraw/zinc/98/08/96/350980896.db2.gz XQDBDJWFOBVVCQ-MRVPVSSYSA-N 1 0 210.327 2.447 10 0 BEAERO Cc1nc(C)c(Br)c(C(C)(C)[NH3+])n1 ZINC000306761237 350985320 /nfs/dbraw/zinc/98/53/20/350985320.db2.gz ZCMYPSDWYJPDSE-UHFFFAOYSA-N 1 0 244.136 2.050 10 0 BEAERO C[C@@H]([NH3+])[C@@](C)(O)c1c(F)cccc1Cl ZINC000306763438 350994004 /nfs/dbraw/zinc/99/40/04/350994004.db2.gz GKKJMRYBBDYOFG-LHLIQPBNSA-N 1 0 217.671 2.034 10 0 BEAERO CC[C@@H]1CC[NH2+][C@H](Cc2cncs2)C1 ZINC000159780814 351000635 /nfs/dbraw/zinc/00/06/35/351000635.db2.gz GLNNGMUYRMBLQM-ZJUUUORDSA-N 1 0 210.346 2.464 10 0 BEAERO Cc1cccc([C@@H](O)[C@@H](C)C[NH3+])c1Cl ZINC000129179840 351002539 /nfs/dbraw/zinc/00/25/39/351002539.db2.gz ZCMGQOSIGKZGLP-KWQFWETISA-N 1 0 213.708 2.277 10 0 BEAERO C[NH2+][C@H]1COc2c1cc(Br)cc2C ZINC000063061412 350949104 /nfs/dbraw/zinc/94/91/04/350949104.db2.gz ZHBQOSMOHNFGBM-VIFPVBQESA-N 1 0 242.116 2.410 10 0 BEAERO CN(Cc1ccccc1)c1ccc(C[NH3+])nc1 ZINC000128992520 350955817 /nfs/dbraw/zinc/95/58/17/350955817.db2.gz XETIMZSHYNALTO-UHFFFAOYSA-N 1 0 227.311 2.177 10 0 BEAERO [NH3+][C@@H](c1nccs1)[C@H]1CCCSC1 ZINC000306796647 351047640 /nfs/dbraw/zinc/04/76/40/351047640.db2.gz WVHHXVNHSOQDIF-JGVFFNPUSA-N 1 0 214.359 2.286 10 0 BEAERO CNc1cccc([C@@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616629654 351100822 /nfs/dbraw/zinc/10/08/22/351100822.db2.gz OZWLJGVSNZZVHB-CQSZACIVSA-N 1 0 247.386 2.257 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2cccc3ccncc32)C1 ZINC000616626635 351106062 /nfs/dbraw/zinc/10/60/62/351106062.db2.gz UFHCFIRDNPNKNE-CYBMUJFWSA-N 1 0 242.322 2.016 10 0 BEAERO c1ccc2c(c1)nncc2[C@H]1CCCC[NH2+]1 ZINC000616626702 351107330 /nfs/dbraw/zinc/10/73/30/351107330.db2.gz VWRWGOUXSOTMKE-GFCCVEGCSA-N 1 0 213.284 2.444 10 0 BEAERO CC[N@@H+]1CCN[C@@H](c2ccc3ccncc3c2)C1 ZINC000616631817 351108766 /nfs/dbraw/zinc/10/87/66/351108766.db2.gz FGUCAQNPZHQPDO-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC[N@@H+]1CCN[C@@H](c2nccc3ccccc32)C1 ZINC000616632715 351113866 /nfs/dbraw/zinc/11/38/66/351113866.db2.gz YFHAYLVZURWEME-CQSZACIVSA-N 1 0 241.338 2.201 10 0 BEAERO CC[N@@H+]1CCN[C@H](c2ccc3ncccc3c2)C1 ZINC000616633053 351114448 /nfs/dbraw/zinc/11/44/48/351114448.db2.gz YQUXAZBYXPULHN-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1c1ccccc1CO ZINC000616635020 351117930 /nfs/dbraw/zinc/11/79/30/351117930.db2.gz ZTCGEBIFIJZZSZ-CYBMUJFWSA-N 1 0 205.301 2.336 10 0 BEAERO C[C@@H]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)[C@H](C)C1 ZINC000079521735 351071171 /nfs/dbraw/zinc/07/11/71/351071171.db2.gz QKDOUKUMDPSIQP-NMKXLXIOSA-N 1 0 238.375 2.069 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]CCNC(=O)OC(C)(C)C ZINC000231674645 351072358 /nfs/dbraw/zinc/07/23/58/351072358.db2.gz MNODCYNUOYVJHY-MNOVXSKESA-N 1 0 242.363 2.289 10 0 BEAERO c1cc2cc(C3CC[NH2+]CC3)ccc2nn1 ZINC000616621857 351085122 /nfs/dbraw/zinc/08/51/22/351085122.db2.gz XEQBLFRYBOKGEM-UHFFFAOYSA-N 1 0 213.284 2.097 10 0 BEAERO CC(=O)Nc1cccc([C@@H]2CC[N@@H+](C)C2)c1 ZINC000616625988 351086977 /nfs/dbraw/zinc/08/69/77/351086977.db2.gz NWZYGTUJAWBOLB-GFCCVEGCSA-N 1 0 218.300 2.064 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1cnno1 ZINC000616623227 351088572 /nfs/dbraw/zinc/08/85/72/351088572.db2.gz MODAZMICICQJSL-SNVBAGLBSA-N 1 0 209.293 2.395 10 0 BEAERO OCc1ccccc1[C@@H]1CCCC[NH2+]C1 ZINC000616624312 351091271 /nfs/dbraw/zinc/09/12/71/351091271.db2.gz DKAFMUWCLGGCQL-LLVKDONJSA-N 1 0 205.301 2.036 10 0 BEAERO CC[N@@H+]1CCCCC[C@@H]1c1ccncn1 ZINC000616624326 351091833 /nfs/dbraw/zinc/09/18/33/351091833.db2.gz YFGKZAZTAQFJRW-GFCCVEGCSA-N 1 0 205.305 2.414 10 0 BEAERO CNc1ccccc1[C@H]1CCCC[N@H+](CCO)C1 ZINC000616627507 351095635 /nfs/dbraw/zinc/09/56/35/351095635.db2.gz ITFLBCWKMCGXPI-ZDUSSCGKSA-N 1 0 248.370 2.290 10 0 BEAERO c1cc2nnccc2c([C@H]2CCC[NH2+]CC2)c1 ZINC000616627896 351096503 /nfs/dbraw/zinc/09/65/03/351096503.db2.gz CXZUIEBTNSTECP-NSHDSACASA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cnco1 ZINC000616647287 351164954 /nfs/dbraw/zinc/16/49/54/351164954.db2.gz XDXVSWJSNPNVNU-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616646003 351169695 /nfs/dbraw/zinc/16/96/95/351169695.db2.gz WFAAAENKHJBAIU-OAHLLOKOSA-N 1 0 249.354 2.003 10 0 BEAERO c1cc2cc([C@@H]3COCCC[NH2+]3)ccc2cn1 ZINC000616646159 351170729 /nfs/dbraw/zinc/17/07/29/351170729.db2.gz FTXGCHVANOHWDF-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCCOC[C@H]1c1ccc(F)cc1 ZINC000616650013 351173268 /nfs/dbraw/zinc/17/32/68/351173268.db2.gz VBDSOHZCWXTQEN-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO c1cc2cc([C@@H]3C[NH2+]CCCO3)ccc2cn1 ZINC000616653561 351194117 /nfs/dbraw/zinc/19/41/17/351194117.db2.gz ZAXBZKIAMKGOPX-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](c2ccc(CO)cc2)C1 ZINC000616649418 351178846 /nfs/dbraw/zinc/17/88/46/351178846.db2.gz IZICKCZBZGSTAP-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](c2ccncc2)C1 ZINC000616649436 351179289 /nfs/dbraw/zinc/17/92/89/351179289.db2.gz JNBPNLDSOYSKBT-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](Nc2ccccn2)C1 ZINC000616649843 351179636 /nfs/dbraw/zinc/17/96/36/351179636.db2.gz LGIULUWGTFOXBJ-ZDUSSCGKSA-N 1 0 249.358 2.340 10 0 BEAERO C[N@@H+]1CCCO[C@H](c2ccc3ccnnc3c2)C1 ZINC000616651072 351181549 /nfs/dbraw/zinc/18/15/49/351181549.db2.gz LLXWLZCIPARIJF-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2cccc(N)c2)C1 ZINC000616652026 351189661 /nfs/dbraw/zinc/18/96/61/351189661.db2.gz CMIOJNTVBKOPFE-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ncccn2)C1 ZINC000616651969 351189743 /nfs/dbraw/zinc/18/97/43/351189743.db2.gz CGIFAORRUAYHSV-LLVKDONJSA-N 1 0 235.331 2.039 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616652104 351190158 /nfs/dbraw/zinc/19/01/58/351190158.db2.gz DBZQQSNXSWPZHI-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO CN1C[C@@H](c2c[nH]cn2)Cc2ccccc21 ZINC000616671331 351230899 /nfs/dbraw/zinc/23/08/99/351230899.db2.gz BXXZIQLNHOCNPE-NSHDSACASA-N 1 0 213.284 2.186 10 0 BEAERO CN1CC[C@@H](c2c[nH]cn2)c2ccccc21 ZINC000616670765 351231137 /nfs/dbraw/zinc/23/11/37/351231137.db2.gz AHFGBUYWKMTASI-SNVBAGLBSA-N 1 0 213.284 2.382 10 0 BEAERO CC(C)(C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000616672344 351234942 /nfs/dbraw/zinc/23/49/42/351234942.db2.gz IRUHKXYUZDIOGV-NSHDSACASA-N 1 0 204.317 2.175 10 0 BEAERO CN1CCO[C@@H](c2ccc3cnccc3c2)C1 ZINC000616677705 351244212 /nfs/dbraw/zinc/24/42/12/351244212.db2.gz RBIZXLVZDOYMKE-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO C[C@@H]1C[NH+]=C(NCc2ccsc2)S1 ZINC000063154067 351263925 /nfs/dbraw/zinc/26/39/25/351263925.db2.gz VTCSNQUDGRJBIU-SSDOTTSWSA-N 1 0 212.343 2.329 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccc(N)nc1 ZINC000616678695 351249006 /nfs/dbraw/zinc/24/90/06/351249006.db2.gz BZHXSTINANRKQR-OAHLLOKOSA-N 1 0 239.322 2.071 10 0 BEAERO C[N@@H+]1CCO[C@H](c2cccc(F)c2)CC1 ZINC000616684080 351255086 /nfs/dbraw/zinc/25/50/86/351255086.db2.gz BNICMKULJPMJMS-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO COc1ccccc1[C@@H]1CC[N@H+](C)CCO1 ZINC000616684174 351255180 /nfs/dbraw/zinc/25/51/80/351255180.db2.gz FNXQNSRBYMFMFP-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cnoc1 ZINC000616655600 351200469 /nfs/dbraw/zinc/20/04/69/351200469.db2.gz HGYWCXRDQVIBEI-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cnoc1 ZINC000616656066 351201312 /nfs/dbraw/zinc/20/13/12/351201312.db2.gz HGYWCXRDQVIBEI-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2ccccc2CO)C1 ZINC000616656250 351202514 /nfs/dbraw/zinc/20/25/14/351202514.db2.gz UTICSYVITFYRDD-GFCCVEGCSA-N 1 0 219.328 2.378 10 0 BEAERO c1cc2cc([C@@H]3CCOCC[NH2+]3)ccc2cn1 ZINC000616661316 351209743 /nfs/dbraw/zinc/20/97/43/351209743.db2.gz ZXMFPAWSZOQTIP-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO c1cc2cc([C@H]3CCOCC[NH2+]3)ccc2cn1 ZINC000616661182 351214034 /nfs/dbraw/zinc/21/40/34/351214034.db2.gz ZXMFPAWSZOQTIP-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO FC(F)[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616662532 351218328 /nfs/dbraw/zinc/21/83/28/351218328.db2.gz IPWKXNVLJJKTCX-GFCCVEGCSA-N 1 0 241.281 2.400 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc(N)n2)CC1 ZINC000616665565 351223492 /nfs/dbraw/zinc/22/34/92/351223492.db2.gz MPFCWBYPOJMWBP-LBPRGKRZSA-N 1 0 249.358 2.226 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc(N)n2)CC1 ZINC000616666282 351225705 /nfs/dbraw/zinc/22/57/05/351225705.db2.gz MPFCWBYPOJMWBP-GFCCVEGCSA-N 1 0 249.358 2.226 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccnn2)CC1 ZINC000616666316 351225782 /nfs/dbraw/zinc/22/57/82/351225782.db2.gz NYQZAOHZJXVGTB-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cnco1 ZINC000616668603 351227221 /nfs/dbraw/zinc/22/72/21/351227221.db2.gz ARPATXUKYMQXEL-ZDUSSCGKSA-N 1 0 243.310 2.127 10 0 BEAERO Cc1ccc(O)c(C[NH2+]C[C@H](C)C2CC2)n1 ZINC000122458035 363022430 /nfs/dbraw/zinc/02/24/30/363022430.db2.gz QYJDDAQSNYKWPT-VIFPVBQESA-N 1 0 220.316 2.231 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccccn1 ZINC000267007152 351297073 /nfs/dbraw/zinc/29/70/73/351297073.db2.gz GYYYEZLKXSNYQZ-GFCCVEGCSA-N 1 0 219.332 2.002 10 0 BEAERO C1C[NH2+][C@H]([C@@H]2CCCSC2)SC1 ZINC000306901742 351316500 /nfs/dbraw/zinc/31/65/00/351316500.db2.gz OSWCWOJSDJKULD-BDAKNGLRSA-N 1 0 203.376 2.182 10 0 BEAERO C[NH2+][C@H](c1ccsn1)[C@@]1(C)C[C@@H]1F ZINC000306917435 351328723 /nfs/dbraw/zinc/32/87/23/351328723.db2.gz YANMADMMCCSBLG-YIZRAAEISA-N 1 0 200.282 2.152 10 0 BEAERO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)nn1 ZINC000051871023 180583309 /nfs/dbraw/zinc/58/33/09/180583309.db2.gz TYJSTXNKVXAWBN-VIFPVBQESA-N 1 0 241.722 2.041 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CC(=O)c1ccc[nH]1 ZINC000034989869 351377166 /nfs/dbraw/zinc/37/71/66/351377166.db2.gz TZHHXRNDJWKDKO-SNVBAGLBSA-N 1 0 206.289 2.072 10 0 BEAERO C[C@H](C[NH3+])[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000168352202 351388898 /nfs/dbraw/zinc/38/88/98/351388898.db2.gz MNWNCTMNCQSNQX-LHLIQPBNSA-N 1 0 217.671 2.107 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1cccc2cccnc21 ZINC000069050762 351347194 /nfs/dbraw/zinc/34/71/94/351347194.db2.gz IGBQNBGCCZEVRX-AAEUAGOBSA-N 1 0 216.284 2.006 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc2ncccc2c1 ZINC000069050756 351348246 /nfs/dbraw/zinc/34/82/46/351348246.db2.gz JCBCFWKHZJMUCR-DGCLKSJQSA-N 1 0 216.284 2.006 10 0 BEAERO CCCCCNC(=O)[C@H](C)[NH2+]CCCCC ZINC000034938623 351353568 /nfs/dbraw/zinc/35/35/68/351353568.db2.gz DSGTUYADVWTTFJ-LBPRGKRZSA-N 1 0 228.380 2.461 10 0 BEAERO Cc1ccc(C)c([C@H]([NH3+])c2cnn(C)c2)c1 ZINC000034957622 351362944 /nfs/dbraw/zinc/36/29/44/351362944.db2.gz IHAVDYRFXHOQOX-CYBMUJFWSA-N 1 0 215.300 2.085 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)c1ccsn1 ZINC000307021261 351429528 /nfs/dbraw/zinc/42/95/28/351429528.db2.gz DFPCFKYNSPQTTP-BDAKNGLRSA-N 1 0 224.329 2.091 10 0 BEAERO [NH3+][C@H](c1cn[nH]c1)c1sccc1Cl ZINC000307056908 351456266 /nfs/dbraw/zinc/45/62/66/351456266.db2.gz DOVFDHMAQATGTJ-SSDOTTSWSA-N 1 0 213.693 2.173 10 0 BEAERO CC1(C)CC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000307053563 351457048 /nfs/dbraw/zinc/45/70/48/351457048.db2.gz PXZDJUUAQBSWBD-HNNXBMFYSA-N 1 0 243.354 2.376 10 0 BEAERO CC1(C)CC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000307053564 351457454 /nfs/dbraw/zinc/45/74/54/351457454.db2.gz PXZDJUUAQBSWBD-OAHLLOKOSA-N 1 0 243.354 2.376 10 0 BEAERO [NH3+]CCc1c(F)ccc(F)c1Br ZINC000403301355 363032102 /nfs/dbraw/zinc/03/21/02/363032102.db2.gz BHZZSFYVTWFGEZ-UHFFFAOYSA-N 1 0 236.059 2.229 10 0 BEAERO Brc1ccoc1[C@H]1C=CC[NH2+]1 ZINC000307003185 351413830 /nfs/dbraw/zinc/41/38/30/351413830.db2.gz DDJSJILZDDOUKA-SSDOTTSWSA-N 1 0 214.062 2.243 10 0 BEAERO C[C@@H]1CC2(C[C@@H](C)O1)[NH2+]C(C)(C)CS2 ZINC000133638904 351425514 /nfs/dbraw/zinc/42/55/14/351425514.db2.gz HVKVQKXTHSMSGQ-RKDXNWHRSA-N 1 0 215.362 2.385 10 0 BEAERO C[NH2+]C1(C(=O)c2ccoc2)CCCCC1 ZINC000307138599 351495413 /nfs/dbraw/zinc/49/54/13/351495413.db2.gz ZUCVCFCWVQOCIL-UHFFFAOYSA-N 1 0 207.273 2.385 10 0 BEAERO [NH3+][C@H](c1ccc[nH]1)c1ccoc1Br ZINC000307145452 351499034 /nfs/dbraw/zinc/49/90/34/351499034.db2.gz GNCDTASSIYDCAG-QMMMGPOBSA-N 1 0 241.088 2.418 10 0 BEAERO O[C@]1(c2ccoc2)CC[N@H+](Cc2ccccc2)C1 ZINC000307160212 351511713 /nfs/dbraw/zinc/51/17/13/351511713.db2.gz JWLXBUHKPVVSHV-OAHLLOKOSA-N 1 0 243.306 2.373 10 0 BEAERO [NH3+][C@H](C[C@H]1CCCCO1)c1ccsn1 ZINC000307160603 351512385 /nfs/dbraw/zinc/51/23/85/351512385.db2.gz DUCSAEFQTNZGOI-RKDXNWHRSA-N 1 0 212.318 2.102 10 0 BEAERO Cc1cc(-c2ncc(C[NH3+])s2)sn1 ZINC000404473148 351472320 /nfs/dbraw/zinc/47/23/20/351472320.db2.gz NFRVWZMHRUZRDI-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO [NH3+]Cc1c(F)ccc(F)c1OC(F)F ZINC000307088902 351472412 /nfs/dbraw/zinc/47/24/12/351472412.db2.gz UJRIDUXWONNKJO-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO Clc1ncc(CNC[C@H]2CCCC[NH2+]2)s1 ZINC000095070201 180601528 /nfs/dbraw/zinc/60/15/28/180601528.db2.gz GEOSUOVTUMHTPC-MRVPVSSYSA-N 1 0 245.779 2.028 10 0 BEAERO C[C@H]1Oc2c(c(F)ccc2Cl)[C@H]1[NH3+] ZINC000307100177 351479465 /nfs/dbraw/zinc/47/94/65/351479465.db2.gz GPVIRXNKQQVPFN-VHWMUFPASA-N 1 0 201.628 2.260 10 0 BEAERO C[C@@H](C[NH+](C)C)Nc1cc(Cl)nc(Cl)n1 ZINC000307102912 351479815 /nfs/dbraw/zinc/47/98/15/351479815.db2.gz ZZSPRKLSWWMYQR-LURJTMIESA-N 1 0 249.145 2.145 10 0 BEAERO C[C@@H](C[NH3+])Nc1cc(F)cc(Br)c1 ZINC000307165907 351533151 /nfs/dbraw/zinc/53/31/51/351533151.db2.gz NPGLVOSVSWUDFL-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO C[C@@]1([C@@H]2[NH2+]CCCS2)CCCS1 ZINC000307167325 351536845 /nfs/dbraw/zinc/53/68/45/351536845.db2.gz RGHHWPOIJVGIBE-BDAKNGLRSA-N 1 0 203.376 2.325 10 0 BEAERO CC1(C)SC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307168866 351542480 /nfs/dbraw/zinc/54/24/80/351542480.db2.gz WGSJFQNZCMDJDH-LLVKDONJSA-N 1 0 249.383 2.195 10 0 BEAERO [NH3+]CC1(c2ccncc2Br)CCC1 ZINC000307168845 351542579 /nfs/dbraw/zinc/54/25/79/351542579.db2.gz WDTHOBVDXBAXIM-UHFFFAOYSA-N 1 0 241.132 2.225 10 0 BEAERO Cc1cc2c(cc1Cl)[C@@H](CC[NH3+])CO2 ZINC000606304408 351563002 /nfs/dbraw/zinc/56/30/02/351563002.db2.gz YJNLRQYGUZKWJN-QMMMGPOBSA-N 1 0 211.692 2.473 10 0 BEAERO CC(C)=C[C@H]([NH3+])c1cnn(C)c1Br ZINC000307222993 351649259 /nfs/dbraw/zinc/64/92/59/351649259.db2.gz JUENHHXHXDFHTH-QMMMGPOBSA-N 1 0 244.136 2.149 10 0 BEAERO Cn1c2ccc(F)cc2nc1[C@H]1CCC[NH2+]C1 ZINC000037439188 180625888 /nfs/dbraw/zinc/62/58/88/180625888.db2.gz GVZGJMQIBDEYDI-VIFPVBQESA-N 1 0 233.290 2.179 10 0 BEAERO C[C@@]1([C@@H]([NH3+])c2nccs2)CCCS1 ZINC000307247455 351752420 /nfs/dbraw/zinc/75/24/20/351752420.db2.gz MSMGXBNPIMDOEQ-CBAPKCEASA-N 1 0 214.359 2.429 10 0 BEAERO CC[C@H](NC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000637903375 351775447 /nfs/dbraw/zinc/77/54/47/351775447.db2.gz BFFLIRTYBQDWJB-AWEZNQCLSA-N 1 0 246.354 2.254 10 0 BEAERO CC[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637906071 351779457 /nfs/dbraw/zinc/77/94/57/351779457.db2.gz XLFRKEAICKVHNG-ZIAGYGMSSA-N 1 0 244.338 2.301 10 0 BEAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000637917300 351792314 /nfs/dbraw/zinc/79/23/14/351792314.db2.gz INEZSNGVEHOVAN-CHWSQXEVSA-N 1 0 248.370 2.479 10 0 BEAERO CC(C)N(C)c1cc(N)[nH+]cc1Br ZINC000307249647 351755509 /nfs/dbraw/zinc/75/55/09/351755509.db2.gz JXWQFCNMNMEXIJ-UHFFFAOYSA-N 1 0 244.136 2.271 10 0 BEAERO [NH3+][C@@H](c1ccns1)[C@@H]1CCCCS1 ZINC000307275211 351832498 /nfs/dbraw/zinc/83/24/98/351832498.db2.gz PEFMLIXHEXTDCW-IONNQARKSA-N 1 0 214.359 2.429 10 0 BEAERO [NH3+][C@H](c1ccns1)[C@@H]1CCCCS1 ZINC000307275210 351832602 /nfs/dbraw/zinc/83/26/02/351832602.db2.gz PEFMLIXHEXTDCW-CBAPKCEASA-N 1 0 214.359 2.429 10 0 BEAERO Cc1sc(C2CSC2)nc1[C@@H](C)[NH3+] ZINC000404707956 351860236 /nfs/dbraw/zinc/86/02/36/351860236.db2.gz BSSPENQOXXSRFZ-RXMQYKEDSA-N 1 0 214.359 2.302 10 0 BEAERO C[NH2+]C[C@H](NC1CC1)c1ccc(Cl)cc1 ZINC000725269154 538101486 /nfs/dbraw/zinc/10/14/86/538101486.db2.gz MNZCRXFRXRAZDS-LBPRGKRZSA-N 1 0 224.735 2.353 10 0 BEAERO [NH3+][C@@H](Cc1sccc1Cl)c1cnns1 ZINC000307287575 351850927 /nfs/dbraw/zinc/85/09/27/351850927.db2.gz UYZYFWHJESDEBM-LURJTMIESA-N 1 0 245.760 2.496 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN1CCc2ccccc21 ZINC000020073406 351896159 /nfs/dbraw/zinc/89/61/59/351896159.db2.gz LFJIBMPRKFNUSD-CYBMUJFWSA-N 1 0 218.344 2.423 10 0 BEAERO [NH3+][C@@H]1CCCN(c2ccsc2Cl)C1 ZINC000307310992 351987344 /nfs/dbraw/zinc/98/73/44/351987344.db2.gz BSPNULHUVHCMER-SSDOTTSWSA-N 1 0 216.737 2.329 10 0 BEAERO [NH3+]C[C@H]1CCO[C@H]1c1sccc1Cl ZINC000307331562 352047548 /nfs/dbraw/zinc/04/75/48/352047548.db2.gz PHKCFUZSWJPZDY-HTRCEHHLSA-N 1 0 217.721 2.438 10 0 BEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1sccc1Cl ZINC000307331566 352048282 /nfs/dbraw/zinc/04/82/82/352048282.db2.gz PHKCFUZSWJPZDY-XPUUQOCRSA-N 1 0 217.721 2.438 10 0 BEAERO Cn1ncc(Cl)c1[C@@H]([NH3+])CC1CCC1 ZINC000232184091 352082445 /nfs/dbraw/zinc/08/24/45/352082445.db2.gz OUXVELKBLCRBGS-VIFPVBQESA-N 1 0 213.712 2.264 10 0 BEAERO CC(=O)NCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000035019005 187594726 /nfs/dbraw/zinc/59/47/26/187594726.db2.gz ODOSEKMGFDNYBY-AWEZNQCLSA-N 1 0 234.343 2.109 10 0 BEAERO F[C@@H](c1cscn1)[C@@H]1CCCC[NH2+]1 ZINC000307347905 352102937 /nfs/dbraw/zinc/10/29/37/352102937.db2.gz NKPAKBBAZAXTPV-IONNQARKSA-N 1 0 200.282 2.296 10 0 BEAERO CC[C@H](CC[NH3+])NC(=O)c1c(C)cc(C)cc1C ZINC000054161760 187611073 /nfs/dbraw/zinc/61/10/73/187611073.db2.gz ZOWKITOQFQQQBV-CYBMUJFWSA-N 1 0 248.370 2.469 10 0 BEAERO Cc1ccc(NC(=O)C[C@H](C)C[NH3+])cc1C ZINC000076610217 187618196 /nfs/dbraw/zinc/61/81/96/187618196.db2.gz FWSDGRWURBDKOC-VIFPVBQESA-N 1 0 220.316 2.227 10 0 BEAERO Cc1cccc(N2CC[C@@H]([NH3+])C2)c1Cl ZINC000300915694 363119780 /nfs/dbraw/zinc/11/97/80/363119780.db2.gz SPDUQLGMTQNCDE-SECBINFHSA-N 1 0 210.708 2.186 10 0 BEAERO CCN1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638409535 352216849 /nfs/dbraw/zinc/21/68/49/352216849.db2.gz PCIJDHOGDYIAHN-BARDWOONSA-N 1 0 236.403 2.497 10 0 BEAERO CC(C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000041215946 187630249 /nfs/dbraw/zinc/63/02/49/187630249.db2.gz NNUWRDACUFIQQR-JTQLQIEISA-N 1 0 207.273 2.114 10 0 BEAERO C=Cn1cc(C[NH2+][C@H]2C[C@H]2CCC)cn1 ZINC000219389643 363134685 /nfs/dbraw/zinc/13/46/85/363134685.db2.gz KXRRXVYUCNLLHW-NEPJUHHUSA-N 1 0 205.305 2.262 10 0 BEAERO CC(C)C(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725270901 538102447 /nfs/dbraw/zinc/10/24/47/538102447.db2.gz GNDLASAGSZFEPF-NSHDSACASA-N 1 0 218.300 2.227 10 0 BEAERO CC(C)c1nsc(NCC[C@H]2CC[NH2+]C2)n1 ZINC000083670738 352304237 /nfs/dbraw/zinc/30/42/37/352304237.db2.gz DKUQNFZCYUFBKQ-SECBINFHSA-N 1 0 240.376 2.073 10 0 BEAERO Cc1cnc(C(C)(C)C[NH3+])c(Br)c1 ZINC000307355601 352323879 /nfs/dbraw/zinc/32/38/79/352323879.db2.gz VLCDUJISSSRYDI-UHFFFAOYSA-N 1 0 243.148 2.389 10 0 BEAERO CC[N@@H+]1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000389481517 352363957 /nfs/dbraw/zinc/36/39/57/352363957.db2.gz XMLQBEIRZHLOHX-MRVPVSSYSA-N 1 0 241.316 2.162 10 0 BEAERO CC(C)(C)C(=O)Nc1ccc2[nH]c(C[NH3+])nc2c1 ZINC000725271150 538103261 /nfs/dbraw/zinc/10/32/61/538103261.db2.gz IALZJRKUJWGEEV-UHFFFAOYSA-N 1 0 246.314 2.006 10 0 BEAERO C[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270944 538103135 /nfs/dbraw/zinc/10/31/35/538103135.db2.gz UXAPGQAQVCBPCQ-UHFFFAOYSA-N 1 0 224.613 2.473 10 0 BEAERO Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336688108 180748665 /nfs/dbraw/zinc/74/86/65/180748665.db2.gz JMTSPTDQRVWQKI-WDEREUQCSA-N 1 0 225.311 2.038 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1ccsc1Cl ZINC000307365172 352449933 /nfs/dbraw/zinc/44/99/33/352449933.db2.gz LSXBVDKIWAGKIS-SSDOTTSWSA-N 1 0 216.737 2.200 10 0 BEAERO F[C@H](c1cscn1)C1CC[NH2+]CC1 ZINC000307372609 352469909 /nfs/dbraw/zinc/46/99/09/352469909.db2.gz RAMVVMNFLUZRIW-VIFPVBQESA-N 1 0 200.282 2.153 10 0 BEAERO [NH3+][C@H]1CC[C@@H]1Cc1ccc(Br)o1 ZINC000307375112 352474792 /nfs/dbraw/zinc/47/47/92/352474792.db2.gz UZMMKTJWXCYJKW-SVRRBLITSA-N 1 0 230.105 2.322 10 0 BEAERO [NH3+][C@H]1CCc2c1cccc2NC(=O)CC1CC1 ZINC000725271880 538103579 /nfs/dbraw/zinc/10/35/79/538103579.db2.gz VOYQHNONCZWVLJ-LBPRGKRZSA-N 1 0 230.311 2.371 10 0 BEAERO C([NH2+]C1(C2CCC2)CCC1)[C@H]1CCCO1 ZINC000411824558 191213361 /nfs/dbraw/zinc/21/33/61/191213361.db2.gz QQYRTLKBSBUXKF-GFCCVEGCSA-N 1 0 209.333 2.478 10 0 BEAERO CC12CCC(C[NH2+]C3CCC3)(CC1)CO2 ZINC000725273124 538104318 /nfs/dbraw/zinc/10/43/18/538104318.db2.gz VCANZIREJTWQHQ-UHFFFAOYSA-N 1 0 209.333 2.478 10 0 BEAERO CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)C(C)C ZINC000037319402 358471830 /nfs/dbraw/zinc/47/18/30/358471830.db2.gz XECGVNISSUXLMP-MCIGGMRASA-N 1 0 226.364 2.055 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ncc(Cl)s1 ZINC000300209456 352556766 /nfs/dbraw/zinc/55/67/66/352556766.db2.gz GMHWUVFYFNPFNG-HCWXCVPCSA-N 1 0 202.710 2.247 10 0 BEAERO CSC(C)(C)C[N@@H+]1CCC(=O)C[C@@H]1C ZINC000229113737 352586431 /nfs/dbraw/zinc/58/64/31/352586431.db2.gz GADQIWNRDHBEEB-VIFPVBQESA-N 1 0 215.362 2.181 10 0 BEAERO CCN(C(=O)OC(C)(C)C)[C@@H](C)C[NH+](C)C ZINC000232268463 352590739 /nfs/dbraw/zinc/59/07/39/352590739.db2.gz CFSNFROKKAIAQQ-JTQLQIEISA-N 1 0 230.352 2.194 10 0 BEAERO CCCN(CCC)[C@H]1C[NH2+][C@H](C(C)C)C1 ZINC000725272549 538104469 /nfs/dbraw/zinc/10/44/69/538104469.db2.gz PKNLRHSGOHJKHP-OLZOCXBDSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@]1(O)c1ccsc1Cl ZINC000307461110 352611091 /nfs/dbraw/zinc/61/10/91/352611091.db2.gz FUFNKHKPPUHBLV-XCBNKYQSSA-N 1 0 231.748 2.361 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@]1(O)c1ccsc1Cl ZINC000307461108 352611105 /nfs/dbraw/zinc/61/11/05/352611105.db2.gz FUFNKHKPPUHBLV-OIBJUYFYSA-N 1 0 231.748 2.361 10 0 BEAERO CC1(C)[C@@H]([NH3+])[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000307393079 352568952 /nfs/dbraw/zinc/56/89/52/352568952.db2.gz AIWYHEFGCNDGPS-KBPBESRZSA-N 1 0 241.338 2.382 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000307393088 352569039 /nfs/dbraw/zinc/56/90/39/352569039.db2.gz AIWYHEFGCNDGPS-UONOGXRCSA-N 1 0 241.338 2.382 10 0 BEAERO C1CC(S[C@H]2CCC[NH2+]CC2)CCO1 ZINC000300832035 352576201 /nfs/dbraw/zinc/57/62/01/352576201.db2.gz KOKJUVIXYSVRQM-JTQLQIEISA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)([NH3+])[C@@H](O)Cc1sccc1Cl ZINC000307408682 352579679 /nfs/dbraw/zinc/57/96/79/352579679.db2.gz HNJMASVOQBSIFE-QMMMGPOBSA-N 1 0 219.737 2.042 10 0 BEAERO CC(C)(CO)S[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000307547668 352646748 /nfs/dbraw/zinc/64/67/48/352646748.db2.gz UEWFHUAMTWOZNE-VHSXEESVSA-N 1 0 217.378 2.151 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1cscc1Br ZINC000307552909 352647938 /nfs/dbraw/zinc/64/79/38/352647938.db2.gz VCUAKBWXPNVOFB-HTQZYQBOSA-N 1 0 248.145 2.299 10 0 BEAERO CC[NH2+]C[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000307592588 352662696 /nfs/dbraw/zinc/66/26/96/352662696.db2.gz FHQZHHCAVSAZGE-CYBMUJFWSA-N 1 0 242.363 2.386 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@]1(F)c1ccns1 ZINC000307606902 352668239 /nfs/dbraw/zinc/66/82/39/352668239.db2.gz BUCNUQHUYCGTSE-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000307500708 352627910 /nfs/dbraw/zinc/62/79/10/352627910.db2.gz UKCWTHJPAWLRJC-PHDIDXHHSA-N 1 0 217.725 2.088 10 0 BEAERO C[C@]1(CC[NH3+])CC[C@H](c2cscn2)O1 ZINC000307501651 352629528 /nfs/dbraw/zinc/62/95/28/352629528.db2.gz NDQVZOVGONZJJY-NXEZZACHSA-N 1 0 212.318 2.102 10 0 BEAERO CC[C@@H]1CS[C@]2(CSC[C@@H]2C)[NH2+]1 ZINC000307525929 352634953 /nfs/dbraw/zinc/63/49/53/352634953.db2.gz HEYJKZZDZKZWKA-YIZRAAEISA-N 1 0 203.376 2.181 10 0 BEAERO CC[C@@](C)(C(C)=O)[N@@H+]1CCSC[C@@H]1C ZINC000307618593 352675693 /nfs/dbraw/zinc/67/56/93/352675693.db2.gz ZCKKCZGAIKRQTM-ONGXEEELSA-N 1 0 215.362 2.181 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000638756348 352686399 /nfs/dbraw/zinc/68/63/99/352686399.db2.gz HHTYAFVJUSKKFT-ZWNOBZJWSA-N 1 0 248.326 2.014 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000638756344 352686436 /nfs/dbraw/zinc/68/64/36/352686436.db2.gz HHTYAFVJUSKKFT-GXFFZTMASA-N 1 0 248.326 2.014 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](c2ccc(Br)o2)O1 ZINC000307638902 352724969 /nfs/dbraw/zinc/72/49/69/352724969.db2.gz YYECUGSGFYKJKZ-NKWVEPMBSA-N 1 0 246.104 2.221 10 0 BEAERO COc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)cc1C ZINC000032014638 352735701 /nfs/dbraw/zinc/73/57/01/352735701.db2.gz WCFVKVQRMONDAW-STQMWFEESA-N 1 0 223.316 2.020 10 0 BEAERO CCN(CC(C)C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055086902 1172154541 /nfs/dbraw/zinc/15/45/41/1172154541.db2.gz OKBCJAGVKNJABV-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1c[nH+]ccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000191976654 363197619 /nfs/dbraw/zinc/19/76/19/363197619.db2.gz ZAXZCCVYTQEVLL-GHMZBOCLSA-N 1 0 206.289 2.004 10 0 BEAERO CC(C)[C@@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000318754944 538105706 /nfs/dbraw/zinc/10/57/06/538105706.db2.gz BIACXENVLYFGNV-SECBINFHSA-N 1 0 239.281 2.420 10 0 BEAERO O=C(C1CCCCCC1)N1CCn2ccnc2C1 ZINC000334282220 352922759 /nfs/dbraw/zinc/92/27/59/352922759.db2.gz TYWNTBSWMXITLW-UHFFFAOYSA-N 1 0 247.342 2.196 10 0 BEAERO F[C@H](c1cnsc1)C1CC[NH2+]CC1 ZINC000405081161 352936096 /nfs/dbraw/zinc/93/60/96/352936096.db2.gz LZWNQIUNNKEDEH-VIFPVBQESA-N 1 0 200.282 2.153 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cccnc2)[C@H](C)C1 ZINC000049694163 535191576 /nfs/dbraw/zinc/19/15/76/535191576.db2.gz NDAWFLNQGFKGCL-OLZOCXBDSA-N 1 0 233.359 2.439 10 0 BEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)cn1 ZINC000092196197 538106501 /nfs/dbraw/zinc/10/65/01/538106501.db2.gz SJQZVPFSTICDIS-JQWIXIFHSA-N 1 0 238.306 2.440 10 0 BEAERO COc1ccc(C[C@H](C)[NH3+])cc1OCC1CC1 ZINC000037728220 187940930 /nfs/dbraw/zinc/94/09/30/187940930.db2.gz HQQQZGWWIAIMHT-JTQLQIEISA-N 1 0 235.327 2.374 10 0 BEAERO Cc1cc(Br)cnc1C1(C[NH3+])CC1 ZINC000306533147 353022629 /nfs/dbraw/zinc/02/26/29/353022629.db2.gz MTFZYRJGHBKLKU-UHFFFAOYSA-N 1 0 241.132 2.143 10 0 BEAERO CC[C@@H]1C[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000238270258 323946792 /nfs/dbraw/zinc/94/67/92/323946792.db2.gz QOHJMMANTRSXCD-MFKMUULPSA-N 1 0 205.301 2.408 10 0 BEAERO CC[C@](C)(NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000638858368 353035165 /nfs/dbraw/zinc/03/51/65/353035165.db2.gz OLWNTBMVRZDIAP-QKCSRTOESA-N 1 0 238.375 2.069 10 0 BEAERO CSC1([C@@H]2[NH2+]C(C)(C)CS2)CC1 ZINC000306378267 353007925 /nfs/dbraw/zinc/00/79/25/353007925.db2.gz OQOCOPRYTDISCA-SSDOTTSWSA-N 1 0 203.376 2.323 10 0 BEAERO Fc1cccc(NC2CC[NH2+]CC2)c1F ZINC000040230445 187938447 /nfs/dbraw/zinc/93/84/47/187938447.db2.gz RVHWZWRZJVMISB-UHFFFAOYSA-N 1 0 212.243 2.129 10 0 BEAERO CC(C)C[C@H]1CC[N@@H+]([C@H]2CCC(=O)C2)C1 ZINC000306402778 353009630 /nfs/dbraw/zinc/00/96/30/353009630.db2.gz FCOHXUYMPCUMBX-NEPJUHHUSA-N 1 0 209.333 2.476 10 0 BEAERO COc1ccc([C@H]2C[NH2+]CC2(C)C)cc1 ZINC000220133778 323944996 /nfs/dbraw/zinc/94/49/96/323944996.db2.gz QBUUWTOQROJVNZ-GFCCVEGCSA-N 1 0 205.301 2.408 10 0 BEAERO COc1ccc([C@]2(C)CCC[NH2+]2)cc1OC ZINC000085698525 187972640 /nfs/dbraw/zinc/97/26/40/187972640.db2.gz ZHQSVHFBHKZGLQ-ZDUSSCGKSA-N 1 0 221.300 2.302 10 0 BEAERO CC(C)(C)OC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043586574 187949233 /nfs/dbraw/zinc/94/92/33/187949233.db2.gz KVRUUGQSHWPGOT-SNVBAGLBSA-N 1 0 213.321 2.108 10 0 BEAERO C[C@@H]1Oc2c(cc(Cl)cc2F)[C@H]1[NH3+] ZINC000307414503 353075352 /nfs/dbraw/zinc/07/53/52/353075352.db2.gz JZSVQOBLPJCAGD-NVNXEXLPSA-N 1 0 201.628 2.260 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000638864873 353038728 /nfs/dbraw/zinc/03/87/28/353038728.db2.gz CRUCJHUANCVEPO-AWEZNQCLSA-N 1 0 240.391 2.461 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000638865440 353039177 /nfs/dbraw/zinc/03/91/77/353039177.db2.gz HFGGMQHWLHDOGE-RYUDHWBXSA-N 1 0 240.391 2.446 10 0 BEAERO CCC(C)(C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000638866173 353040578 /nfs/dbraw/zinc/04/05/78/353040578.db2.gz PDZOWECHBGRPSC-LLVKDONJSA-N 1 0 228.380 2.302 10 0 BEAERO CCC(C)(C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000638867034 353040903 /nfs/dbraw/zinc/04/09/03/353040903.db2.gz XTLSVXOXLDFXQI-UHFFFAOYSA-N 1 0 240.391 2.446 10 0 BEAERO CCn1c2cccc(F)c2nc1[C@H]1CC[NH2+]C1 ZINC000062119418 187957493 /nfs/dbraw/zinc/95/74/93/187957493.db2.gz COHFSYOUJQWXQO-VIFPVBQESA-N 1 0 233.290 2.272 10 0 BEAERO COC1(C[NH2+][C@H]2CCC[C@@H](O)C2)CCCCC1 ZINC000319442580 538107209 /nfs/dbraw/zinc/10/72/09/538107209.db2.gz LVVXYDWGPRSASK-QWHCGFSZSA-N 1 0 241.375 2.229 10 0 BEAERO C[NH2+][C@H](c1ccsn1)[C@]1(C)C[C@@H]1F ZINC000306917430 353045092 /nfs/dbraw/zinc/04/50/92/353045092.db2.gz YANMADMMCCSBLG-DJLDLDEBSA-N 1 0 200.282 2.152 10 0 BEAERO C[C@H]1CN(C(=O)CC2CCCCC2)C[C@H]1C[NH3+] ZINC000638883825 353050784 /nfs/dbraw/zinc/05/07/84/353050784.db2.gz BJSLXCRAHQDREK-WCQYABFASA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H]1CN(C(=O)C2CCCCCC2)C[C@@H]1C[NH3+] ZINC000638886175 353053283 /nfs/dbraw/zinc/05/32/83/353053283.db2.gz GVDQXIJLHCEGMG-AAEUAGOBSA-N 1 0 238.375 2.010 10 0 BEAERO Brc1cc(C[C@H]2C=CC[NH2+]2)co1 ZINC000307125396 353056050 /nfs/dbraw/zinc/05/60/50/353056050.db2.gz ZVOKZACYBURTNN-MRVPVSSYSA-N 1 0 228.089 2.113 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CCC(F)CC1 ZINC000307723566 353111741 /nfs/dbraw/zinc/11/17/41/353111741.db2.gz VLRXISUOGWRIJM-PMUOWJKOSA-N 1 0 201.285 2.034 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1N(C)Cc1ccccc1 ZINC000307727980 353115019 /nfs/dbraw/zinc/11/50/19/353115019.db2.gz GJQFDJZYVCMCTD-TZMCWYRMSA-N 1 0 218.344 2.259 10 0 BEAERO O[C@@H](Cc1sccc1Cl)[C@H]1CCC[NH2+]1 ZINC000307466129 353078158 /nfs/dbraw/zinc/07/81/58/353078158.db2.gz ANFSCPNNXLTCSP-BDAKNGLRSA-N 1 0 231.748 2.057 10 0 BEAERO C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCC1 ZINC000020071412 188005776 /nfs/dbraw/zinc/00/57/76/188005776.db2.gz LNFANOHIGWJPNC-XQQFMLRXSA-N 1 0 208.349 2.003 10 0 BEAERO Cc1ccc(Br)c(CC[NH3+])c1 ZINC000082642443 188007504 /nfs/dbraw/zinc/00/75/04/188007504.db2.gz QKPFGJKNOWEHBS-UHFFFAOYSA-N 1 0 214.106 2.259 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1ccc(O)cc1O ZINC000054928526 188007701 /nfs/dbraw/zinc/00/77/01/188007701.db2.gz KFNZMMVQTJGDQF-SNVBAGLBSA-N 1 0 209.289 2.014 10 0 BEAERO c1ccc2c(c1)OC1(CC[NH2+]CC1)S2 ZINC000082941222 188008319 /nfs/dbraw/zinc/00/83/19/188008319.db2.gz KPYLTUWPAPDESY-UHFFFAOYSA-N 1 0 207.298 2.251 10 0 BEAERO CC(C)[C@@](C)(CN)[NH+]1CCC(C)(C)CC1 ZINC000061818939 188011993 /nfs/dbraw/zinc/01/19/93/188011993.db2.gz XVMFIZJPEJDBTA-CYBMUJFWSA-N 1 0 212.381 2.482 10 0 BEAERO Cc1cc(N[C@@H]2CCC[NH2+]C2)ccc1F ZINC000061116641 188012091 /nfs/dbraw/zinc/01/20/91/188012091.db2.gz LROAVNHQVWALDO-LLVKDONJSA-N 1 0 208.280 2.298 10 0 BEAERO C[C@@H]1C[NH2+][C@H](CCO)/C1=C\c1ccccc1 ZINC000061943353 188013254 /nfs/dbraw/zinc/01/32/54/188013254.db2.gz ZZDHGVKHPFFKQC-OIVWFDOYSA-N 1 0 217.312 2.060 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2cscn2)cc1 ZINC000062354766 188014102 /nfs/dbraw/zinc/01/41/02/188014102.db2.gz NMOKYPKIFNCGFP-LLVKDONJSA-N 1 0 220.297 2.200 10 0 BEAERO C/C=C(\C)c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000278136363 188030526 /nfs/dbraw/zinc/03/05/26/188030526.db2.gz QHQHUIQALDEGHR-PUMWVJNTSA-N 1 0 249.314 2.029 10 0 BEAERO COc1ccc([C@@H]([NH3+])[C@@H]2C[C@@H]2C)c(OC)c1 ZINC000019967668 188004946 /nfs/dbraw/zinc/00/49/46/188004946.db2.gz ZTVYAKFLMZJXKU-RLCGTCKNSA-N 1 0 221.300 2.360 10 0 BEAERO CC(C)N1CC[NH2+]C[C@H]1c1cccs1 ZINC000077304297 188048275 /nfs/dbraw/zinc/04/82/75/188048275.db2.gz GDVXSKWGSCBVHS-JTQLQIEISA-N 1 0 210.346 2.103 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CS1 ZINC000252186250 363205196 /nfs/dbraw/zinc/20/51/96/363205196.db2.gz UIJFFHLQCXQCTF-WISYIIOYSA-N 1 0 229.389 2.021 10 0 BEAERO CC(C)C[C@H](C(=O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000308915608 538108939 /nfs/dbraw/zinc/10/89/39/538108939.db2.gz IFIACWZRAKZWAQ-RYUDHWBXSA-N 1 0 209.333 2.380 10 0 BEAERO CCN1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000336761609 353173895 /nfs/dbraw/zinc/17/38/95/353173895.db2.gz MTTKROQEMWVFGG-CYBMUJFWSA-N 1 0 212.381 2.497 10 0 BEAERO COP(=O)(C[C@@H]1CCCCCC[NH2+]1)OC ZINC000308947383 538109568 /nfs/dbraw/zinc/10/95/68/538109568.db2.gz VIVBGFMIMVWHIQ-JTQLQIEISA-N 1 0 235.264 2.395 10 0 BEAERO CCc1nc(CC[NH2+]CCC(C)(C)C)no1 ZINC000336758660 353168133 /nfs/dbraw/zinc/16/81/33/353168133.db2.gz ILGOATJDOGIREA-UHFFFAOYSA-N 1 0 225.336 2.200 10 0 BEAERO FC(F)(F)C1CC([NH2+][C@@H]2CCSC2)C1 ZINC000306694084 180879125 /nfs/dbraw/zinc/87/91/25/180879125.db2.gz SDBJSXVCGRDWHC-ZUEIMRROSA-N 1 0 225.279 2.422 10 0 BEAERO FC(F)(F)c1ccc(C[C@@H]2COCC[NH2+]2)cc1 ZINC000071559591 180892089 /nfs/dbraw/zinc/89/20/89/180892089.db2.gz KTZJLUZNWTZOQG-LLVKDONJSA-N 1 0 245.244 2.236 10 0 BEAERO CCC[C@H](C)C(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000309364185 538111514 /nfs/dbraw/zinc/11/15/14/538111514.db2.gz DLAPGVFMGNHIHX-NWDGAFQWSA-N 1 0 226.364 2.010 10 0 BEAERO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cs1 ZINC000638994135 353225540 /nfs/dbraw/zinc/22/55/40/353225540.db2.gz JTSMCNDWIPTIEL-IUCAKERBSA-N 1 0 224.329 2.122 10 0 BEAERO FC(F)(F)c1ccn(C[C@H]2CCCC[NH2+]2)n1 ZINC000043494396 180896686 /nfs/dbraw/zinc/89/66/86/180896686.db2.gz GIROXIIKCFEAGS-MRVPVSSYSA-N 1 0 233.237 2.044 10 0 BEAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cs1 ZINC000638994100 353228878 /nfs/dbraw/zinc/22/88/78/353228878.db2.gz INNJWDZHSKQMLI-ONGXEEELSA-N 1 0 238.356 2.383 10 0 BEAERO CCC[C@H]([NH3+])C(=O)Nc1csc(C)c1 ZINC000638999991 353248414 /nfs/dbraw/zinc/24/84/14/353248414.db2.gz PCGJJBVMJPKHIZ-VIFPVBQESA-N 1 0 212.318 2.122 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000638998363 353241636 /nfs/dbraw/zinc/24/16/36/353241636.db2.gz VLDMGPMHTRGAJY-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO Cc1ccc(F)cc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401953192 353260642 /nfs/dbraw/zinc/26/06/42/353260642.db2.gz MNUDZLFGNGKVEY-QMTHXVAHSA-N 1 0 237.318 2.337 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CC[C@H]1c1cscn1 ZINC000127078813 353261462 /nfs/dbraw/zinc/26/14/62/353261462.db2.gz CYBGZKKYPSAPGX-ZJUUUORDSA-N 1 0 210.346 2.492 10 0 BEAERO CC(C)[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@@H](C)O ZINC000120009795 188247511 /nfs/dbraw/zinc/24/75/11/188247511.db2.gz QAZZRZYNMNOBOH-LLVKDONJSA-N 1 0 247.342 2.154 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](c2ccc(F)cc2F)O1 ZINC000036673237 188278599 /nfs/dbraw/zinc/27/85/99/188278599.db2.gz DZZBMQZTFQSKLM-WRWORJQWSA-N 1 0 213.227 2.014 10 0 BEAERO Cc1ccc([C@H]([NH3+])CN(C)C2CC2)cc1 ZINC000037080937 188280003 /nfs/dbraw/zinc/28/00/03/188280003.db2.gz WICWONPVFDFMCS-CYBMUJFWSA-N 1 0 204.317 2.089 10 0 BEAERO COc1ccc(O[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000019268846 188281064 /nfs/dbraw/zinc/28/10/64/188281064.db2.gz GAVFUSQZJNSSIN-OLZOCXBDSA-N 1 0 221.300 2.344 10 0 BEAERO CC(C)[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000019968193 188282116 /nfs/dbraw/zinc/28/21/16/188282116.db2.gz FPWCBKMYELUAGG-ZDUSSCGKSA-N 1 0 218.300 2.227 10 0 BEAERO COc1ccc(C[C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000026398713 188282623 /nfs/dbraw/zinc/28/26/23/188282623.db2.gz AUAIRWXIJLJQPD-NWDGAFQWSA-N 1 0 235.327 2.374 10 0 BEAERO C[NH2+]Cc1ccc(-n2ccnc2C)c(F)c1 ZINC000034825308 188284836 /nfs/dbraw/zinc/28/48/36/188284836.db2.gz FQUPKHKHOPJPCL-UHFFFAOYSA-N 1 0 219.263 2.039 10 0 BEAERO C[NH2+]Cc1ccc(Br)cc1N(C)C ZINC000034824254 188285248 /nfs/dbraw/zinc/28/52/48/188285248.db2.gz HHFVLHXURARKQE-UHFFFAOYSA-N 1 0 243.148 2.235 10 0 BEAERO CC(C)C[C@](C)(C[NH3+])N(C)Cc1cccnc1 ZINC000036770999 188285898 /nfs/dbraw/zinc/28/58/98/188285898.db2.gz SVHRAVYVAVSJBR-CQSZACIVSA-N 1 0 235.375 2.277 10 0 BEAERO CC[C@H](CC(N)=S)[N@@H+]1CCc2ccccc2C1 ZINC000036986824 188286138 /nfs/dbraw/zinc/28/61/38/188286138.db2.gz YVPWIFIZLAVALG-CYBMUJFWSA-N 1 0 248.395 2.500 10 0 BEAERO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037255385 188286852 /nfs/dbraw/zinc/28/68/52/188286852.db2.gz PHXFTJDNZLEJQK-NWDGAFQWSA-N 1 0 226.364 2.022 10 0 BEAERO Nc1ccc(SCC[NH+]2CCCCC2)cn1 ZINC000037192587 188287281 /nfs/dbraw/zinc/28/72/81/188287281.db2.gz YOXVBOXGKUVNKC-UHFFFAOYSA-N 1 0 237.372 2.242 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)cn1 ZINC000037236016 188287496 /nfs/dbraw/zinc/28/74/96/188287496.db2.gz XNDPWEFJABJHPB-FRRDWIJNSA-N 1 0 230.311 2.144 10 0 BEAERO CC(=O)Nc1ccccc1[C@H]1CCCC[NH2+]1 ZINC000075905780 188289621 /nfs/dbraw/zinc/28/96/21/188289621.db2.gz WNAXKWJXYXIQER-GFCCVEGCSA-N 1 0 218.300 2.460 10 0 BEAERO CC(C)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000077334353 188290671 /nfs/dbraw/zinc/29/06/71/188290671.db2.gz MJDVKYSMXXRNOR-CYBMUJFWSA-N 1 0 222.307 2.180 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1OC1CCOCC1 ZINC000040993305 188292929 /nfs/dbraw/zinc/29/29/29/188292929.db2.gz WGFNZOYWVICGPD-SNVBAGLBSA-N 1 0 221.300 2.264 10 0 BEAERO Cc1ccc(Br)c(F)c1CC[NH3+] ZINC000075925752 188308537 /nfs/dbraw/zinc/30/85/37/188308537.db2.gz IJZPZCUVEAHFCO-UHFFFAOYSA-N 1 0 232.096 2.398 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@H]2CCOC2)c(Cl)c1 ZINC000048626035 188297272 /nfs/dbraw/zinc/29/72/72/188297272.db2.gz IFXBBDBOPYNQTQ-QPUJVOFHSA-N 1 0 241.718 2.385 10 0 BEAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCOC2)cc1C ZINC000048623305 188297562 /nfs/dbraw/zinc/29/75/62/188297562.db2.gz GSTFYRUGDQXGRM-DGCLKSJQSA-N 1 0 221.300 2.040 10 0 BEAERO CCCCOCCN1CCC[C@@H]1C[NH2+]C(C)C ZINC000053649068 188300695 /nfs/dbraw/zinc/30/06/95/188300695.db2.gz XCXAQVFEPOIQIW-CQSZACIVSA-N 1 0 242.407 2.266 10 0 BEAERO CC(C)N(C)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145632 188300791 /nfs/dbraw/zinc/30/07/91/188300791.db2.gz JPIMAHVYDXPOOQ-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccccn1 ZINC000252661890 353303717 /nfs/dbraw/zinc/30/37/17/353303717.db2.gz QUZNMLQGXXSRGV-ZFWWWQNUSA-N 1 0 245.370 2.140 10 0 BEAERO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)ccc1C=O ZINC000071189481 188305454 /nfs/dbraw/zinc/30/54/54/188305454.db2.gz MPJKBQRONYDATI-CYBMUJFWSA-N 1 0 246.354 2.195 10 0 BEAERO CC(C)COc1ccc([C@H](C[NH3+])N(C)C)cc1 ZINC000071547430 188306462 /nfs/dbraw/zinc/30/64/62/188306462.db2.gz NWGBFPFSUFXIAM-AWEZNQCLSA-N 1 0 236.359 2.283 10 0 BEAERO Cc1ccccc1[C@@H]1Cc2n[nH]cc2[C@H]([NH3+])C1 ZINC000072415300 188306895 /nfs/dbraw/zinc/30/68/95/188306895.db2.gz SKVIPFUZMQUKSW-GXFFZTMASA-N 1 0 227.311 2.448 10 0 BEAERO CC(C)(C[NH3+])c1ccc(-c2ccccc2)nn1 ZINC000095908449 188321590 /nfs/dbraw/zinc/32/15/90/188321590.db2.gz ZPVZZRYBDZKIES-UHFFFAOYSA-N 1 0 227.311 2.380 10 0 BEAERO CC(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC000075906120 188308615 /nfs/dbraw/zinc/30/86/15/188308615.db2.gz JQFFNKTXOBYCCE-UHFFFAOYSA-N 1 0 232.327 2.454 10 0 BEAERO Cc1cc(C)cc(NC(=O)C[C@@H](C)C[NH3+])c1 ZINC000076610219 188309158 /nfs/dbraw/zinc/30/91/58/188309158.db2.gz VKTVSCNMYJHCKG-LLVKDONJSA-N 1 0 220.316 2.227 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000336705870 180937241 /nfs/dbraw/zinc/93/72/41/180937241.db2.gz PPLHDALKNKTLTL-ZJUUUORDSA-N 1 0 239.281 2.386 10 0 BEAERO CSc1nccc(SC2CC[NH2+]CC2)n1 ZINC000095071809 188318818 /nfs/dbraw/zinc/31/88/18/188318818.db2.gz OBKGRXWRTNZUCV-UHFFFAOYSA-N 1 0 241.385 2.043 10 0 BEAERO CC(C)[N@@H+]1CCC2(C1)CCC(CO)CC2 ZINC000095088226 188318854 /nfs/dbraw/zinc/31/88/54/188318854.db2.gz DHYYCLJKUWZDIX-UHFFFAOYSA-N 1 0 211.349 2.269 10 0 BEAERO CC[N@H+](Cc1ccccc1)CC1(O)CCC1 ZINC000343286424 353360406 /nfs/dbraw/zinc/36/04/06/353360406.db2.gz KERIGDABBGXYBH-UHFFFAOYSA-N 1 0 219.328 2.424 10 0 BEAERO [NH3+]Cc1csc(-c2ncc(Cl)s2)n1 ZINC000223216193 353360643 /nfs/dbraw/zinc/36/06/43/353360643.db2.gz ZKIFHGHPOJQUQD-UHFFFAOYSA-N 1 0 231.733 2.379 10 0 BEAERO CCC(CC)n1ccc(C[NH2+][C@@H](C)COC)n1 ZINC000085172469 538115870 /nfs/dbraw/zinc/11/58/70/538115870.db2.gz BMHLOPIBYUTDPY-NSHDSACASA-N 1 0 239.363 2.369 10 0 BEAERO C(Cc1nnc([C@@H]2C[C@H]3CC[C@@H]2C3)o1)[NH2+]C1CC1 ZINC000050620475 188329419 /nfs/dbraw/zinc/32/94/19/188329419.db2.gz BBCUATXBHUVZDX-HOSYDEDBSA-N 1 0 247.342 2.268 10 0 BEAERO Cc1nccn1-c1ccc(Cl)cc1C[NH3+] ZINC000052857903 188333579 /nfs/dbraw/zinc/33/35/79/188333579.db2.gz QWZQZFCHJIJJQO-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO CC(C)CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000055090671 353346833 /nfs/dbraw/zinc/34/68/33/353346833.db2.gz GHNNYHGCFNJWHB-QWHCGFSZSA-N 1 0 240.391 2.397 10 0 BEAERO FC[C@H]1CCS[C@@]12CCC[NH2+]CC2 ZINC000091305223 180940709 /nfs/dbraw/zinc/94/07/09/180940709.db2.gz CPYQCZYNUPDUKQ-NXEZZACHSA-N 1 0 203.326 2.221 10 0 BEAERO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000300830819 188336047 /nfs/dbraw/zinc/33/60/47/188336047.db2.gz BZXWEFYOUCOIFX-STQMWFEESA-N 1 0 213.365 2.373 10 0 BEAERO c1ncn(C[C@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)n1 ZINC000171746513 188338722 /nfs/dbraw/zinc/33/87/22/188338722.db2.gz MSHIHNRAEQTSOW-KBPBESRZSA-N 1 0 246.358 2.099 10 0 BEAERO CC(C)N(C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000022220242 188355877 /nfs/dbraw/zinc/35/58/77/188355877.db2.gz YDRJUYBGYITTBH-GFCCVEGCSA-N 1 0 210.296 2.166 10 0 BEAERO CC(C)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336683439 188341829 /nfs/dbraw/zinc/34/18/29/188341829.db2.gz IVPOSSPCLJGCPM-RYUDHWBXSA-N 1 0 200.370 2.208 10 0 BEAERO Fc1cc(F)c(F)c(N[C@H]2CCC[NH2+]C2)c1 ZINC000061097974 180951916 /nfs/dbraw/zinc/95/19/16/180951916.db2.gz ORASDDXEAPAKMV-QMMMGPOBSA-N 1 0 230.233 2.268 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cnccn1 ZINC000131406171 353368099 /nfs/dbraw/zinc/36/80/99/353368099.db2.gz KJSCWVYSPGOGSD-GFCCVEGCSA-N 1 0 234.347 2.009 10 0 BEAERO c1cncc(C2=CCC[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000013472627 188342583 /nfs/dbraw/zinc/34/25/83/188342583.db2.gz BACMDOCEIHERJI-DGCLKSJQSA-N 1 0 200.285 2.379 10 0 BEAERO CC(C)C[C@@H](C)Oc1ncccc1C[NH3+] ZINC000019392345 188350318 /nfs/dbraw/zinc/35/03/18/188350318.db2.gz NKOZFKMZEIQVAT-SNVBAGLBSA-N 1 0 208.305 2.354 10 0 BEAERO C1CCC([N@@H+]2CCC[C@H]3COCC[C@H]32)C1 ZINC000335914846 188351199 /nfs/dbraw/zinc/35/11/99/188351199.db2.gz PVXTYNIIQGOXDA-WCQYABFASA-N 1 0 209.333 2.430 10 0 BEAERO C=Cn1c(CO)cc2c1[C@H](C)C[N@H+](C)[C@@H]2C ZINC000196224194 188354701 /nfs/dbraw/zinc/35/47/01/188354701.db2.gz VJWGFAWQJOZHCK-NXEZZACHSA-N 1 0 220.316 2.191 10 0 BEAERO CC(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1 ZINC000059367048 188359812 /nfs/dbraw/zinc/35/98/12/188359812.db2.gz YOWWSJIHWIVYCT-UHFFFAOYSA-N 1 0 215.256 2.084 10 0 BEAERO C(C[C@H]1CCCO1)[NH2+][C@H]1CCCSC1 ZINC000061588886 188360486 /nfs/dbraw/zinc/36/04/86/188360486.db2.gz LFFCNXFVDXYEDH-WDEREUQCSA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)c1cccc(F)c1 ZINC000071511525 188363983 /nfs/dbraw/zinc/36/39/83/188363983.db2.gz XRXBPYWURDNFRW-LLVKDONJSA-N 1 0 209.264 2.382 10 0 BEAERO C[C@H]1C[C@@H](c2ncc(Cl)s2)C[NH2+]1 ZINC000223275794 353603073 /nfs/dbraw/zinc/60/30/73/353603073.db2.gz VKIXPKOAUFQIFJ-NTSWFWBYSA-N 1 0 202.710 2.262 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000226933932 491053142 /nfs/dbraw/zinc/05/31/42/491053142.db2.gz IPUJXLLVRFYDLA-UTUOFQBUSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231642433 353636822 /nfs/dbraw/zinc/63/68/22/353636822.db2.gz CJJBSHZMLNWFDH-SNVBAGLBSA-N 1 0 248.326 2.152 10 0 BEAERO C[C@@H](C[NH3+])Nc1c(F)cccc1Br ZINC000232122203 353691152 /nfs/dbraw/zinc/69/11/52/353691152.db2.gz PGUMILBZWDHSEB-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO Fc1cccc2[nH]c([C@H]3CCC[NH2+]C3)nc21 ZINC000037442273 181004222 /nfs/dbraw/zinc/00/42/22/181004222.db2.gz CVDNRJHSQHHCFS-QMMMGPOBSA-N 1 0 219.263 2.169 10 0 BEAERO Fc1cccc(F)c1NC1CC[NH2+]CC1 ZINC000038040801 181000065 /nfs/dbraw/zinc/00/00/65/181000065.db2.gz CLTJIOXDNFEALB-UHFFFAOYSA-N 1 0 212.243 2.129 10 0 BEAERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399028644 353715450 /nfs/dbraw/zinc/71/54/50/353715450.db2.gz KOSIINDILKXGRN-GHMZBOCLSA-N 1 0 249.314 2.456 10 0 BEAERO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399028649 353715485 /nfs/dbraw/zinc/71/54/85/353715485.db2.gz KOSIINDILKXGRN-WDEREUQCSA-N 1 0 249.314 2.456 10 0 BEAERO Fc1cccc(OC[C@@H]2CCC[NH2+]2)c1F ZINC000026381346 181002569 /nfs/dbraw/zinc/00/25/69/181002569.db2.gz VHHWNFCVFAZTLA-QMMMGPOBSA-N 1 0 213.227 2.096 10 0 BEAERO Fc1ccccc1CC[NH2+]C[C@H]1CCCO1 ZINC000020047594 181012230 /nfs/dbraw/zinc/01/22/30/181012230.db2.gz TYKXOKUYJZKTML-GFCCVEGCSA-N 1 0 223.291 2.137 10 0 BEAERO Fc1ccccc1NCC[NH+]1CCCC1 ZINC000041217523 181013916 /nfs/dbraw/zinc/01/39/16/181013916.db2.gz AKGDCLOEWPHFFK-UHFFFAOYSA-N 1 0 208.280 2.333 10 0 BEAERO Fc1ccccc1OCCC[NH2+]C1CC1 ZINC000020525167 181013998 /nfs/dbraw/zinc/01/39/98/181013998.db2.gz YYGGYDHACIVXON-UHFFFAOYSA-N 1 0 209.264 2.347 10 0 BEAERO Fc1ccccc1C[C@H]1CSCC[NH2+]1 ZINC000071518270 181014127 /nfs/dbraw/zinc/01/41/27/181014127.db2.gz BHMVPZBCJYKVFA-JTQLQIEISA-N 1 0 211.305 2.073 10 0 BEAERO Cn1ccnc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000037935065 358480791 /nfs/dbraw/zinc/48/07/91/358480791.db2.gz NCWIUYKONXQSNQ-UHFFFAOYSA-N 1 0 243.354 2.488 10 0 BEAERO Fc1ccccc1CCNC1=[NH+]CCCS1 ZINC000020586368 181011408 /nfs/dbraw/zinc/01/14/08/181011408.db2.gz RQIUNSQTKBWSAB-UHFFFAOYSA-N 1 0 238.331 2.451 10 0 BEAERO Fc1cccnc1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000054700998 181016815 /nfs/dbraw/zinc/01/68/15/181016815.db2.gz ZVDIPTOJYBJTNH-JTQLQIEISA-N 1 0 235.306 2.307 10 0 BEAERO COC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000343540896 353917325 /nfs/dbraw/zinc/91/73/25/353917325.db2.gz WYISVOIOIITWLW-CRWXNKLISA-N 1 0 243.391 2.451 10 0 BEAERO Cc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)nc1C ZINC000578004871 366173619 /nfs/dbraw/zinc/17/36/19/366173619.db2.gz CRBPHMYLOQRABW-KBPBESRZSA-N 1 0 247.386 2.176 10 0 BEAERO Cc1nnc([C@H](C)[N@@H+]2CC3(CCC3)C[C@@H]2C)[nH]1 ZINC000334645876 354435798 /nfs/dbraw/zinc/43/57/98/354435798.db2.gz PQMYGWOJJRBDTF-UWVGGRQHSA-N 1 0 234.347 2.439 10 0 BEAERO Cc1cc(N2CC3(CCC3)[C@H]3COC[C@H]32)cc[nH+]1 ZINC000334646718 354437049 /nfs/dbraw/zinc/43/70/49/354437049.db2.gz WMAIWLKOZGDKLH-UONOGXRCSA-N 1 0 244.338 2.395 10 0 BEAERO Cc1cc(N2CC3(CCC3)[C@@H]3COC[C@H]32)cc[nH+]1 ZINC000334646721 354437051 /nfs/dbraw/zinc/43/70/51/354437051.db2.gz WMAIWLKOZGDKLH-ZIAGYGMSSA-N 1 0 244.338 2.395 10 0 BEAERO CC1(C)CCC[C@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000334662773 354462489 /nfs/dbraw/zinc/46/24/89/354462489.db2.gz UQMNUROGYBOKMU-RYUDHWBXSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccoc1 ZINC000087289868 491067641 /nfs/dbraw/zinc/06/76/41/491067641.db2.gz ZOIJDNSPYHECRJ-DLOVCJGASA-N 1 0 209.289 2.234 10 0 BEAERO CC1(C)CCC[C@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000335144877 354853042 /nfs/dbraw/zinc/85/30/42/354853042.db2.gz CFHGFTAXQYJMCQ-NWDGAFQWSA-N 1 0 238.375 2.153 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000040502183 358493000 /nfs/dbraw/zinc/49/30/00/358493000.db2.gz GGYBWYPDJLFNRU-JSGCOSHPSA-N 1 0 233.359 2.217 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2ccccc2OC)C1 ZINC000040502036 358492866 /nfs/dbraw/zinc/49/28/66/358492866.db2.gz KXHQRPZSIMGRFQ-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC000040502012 358493076 /nfs/dbraw/zinc/49/30/76/358493076.db2.gz KGOZQKOUUDGXPC-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000040502182 358493321 /nfs/dbraw/zinc/49/33/21/358493321.db2.gz FKGLHLPHZGNEAS-QWHCGFSZSA-N 1 0 233.359 2.217 10 0 BEAERO c1cc2cc(CN[C@H]3CC[NH2+]C3)ccc2s1 ZINC000335222544 355063402 /nfs/dbraw/zinc/06/34/02/355063402.db2.gz IDQDCNCSSBFVMU-LBPRGKRZSA-N 1 0 232.352 2.353 10 0 BEAERO CC[C@H](C)CN(CC)C(=O)C1CCC([NH3+])CC1 ZINC000093254528 491073360 /nfs/dbraw/zinc/07/33/60/491073360.db2.gz BZNAJDXRUUFZJQ-HIFPTAJRSA-N 1 0 240.391 2.399 10 0 BEAERO [NH2+]=C(C1CC1)N1CCN(Cc2ccccc2)CC1 ZINC000062989797 181185539 /nfs/dbraw/zinc/18/55/39/181185539.db2.gz KETYBCAREYFRLZ-UHFFFAOYSA-N 1 0 243.354 2.191 10 0 BEAERO NC(=[NH2+])CCCOc1ccc(F)cc1F ZINC000019423715 181186121 /nfs/dbraw/zinc/18/61/21/181186121.db2.gz GQKSRAXXYUIFEB-UHFFFAOYSA-N 1 0 214.215 2.060 10 0 BEAERO NC(=[NH2+])c1cc(Oc2ccc(F)cc2)ccn1 ZINC000061814465 181193507 /nfs/dbraw/zinc/19/35/07/181193507.db2.gz AEVGOTGCKWBDDC-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO NC(=[NH2+])c1cc(F)ccc1Oc1cccnc1 ZINC000104244675 181193603 /nfs/dbraw/zinc/19/36/03/181193603.db2.gz FYRYOHFTBKBYGX-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO NC(=[NH2+])Nc1c[nH]c2ccc(Cl)cc12 ZINC000028713383 181191401 /nfs/dbraw/zinc/19/14/01/181191401.db2.gz ZEKGDFKLHMLXHC-UHFFFAOYSA-N 1 0 208.652 2.127 10 0 BEAERO NC(=[NH2+])c1c(F)ccc(Cl)c1Cl ZINC000075915130 181193074 /nfs/dbraw/zinc/19/30/74/181193074.db2.gz OJNFEWPKFHABLO-UHFFFAOYSA-N 1 0 207.035 2.417 10 0 BEAERO NC(=[NH2+])c1ccc(OCC2CCCCC2)nc1 ZINC000052154695 181195058 /nfs/dbraw/zinc/19/50/58/181195058.db2.gz MTNKKYHSLACOPR-UHFFFAOYSA-N 1 0 233.315 2.325 10 0 BEAERO CC[C@@H]([NH3+])[C@H]1Cc2ccc(C)cc2C1=O ZINC000166484179 355533540 /nfs/dbraw/zinc/53/35/40/355533540.db2.gz BQRQTRLKHBJAMW-VXGBXAGGSA-N 1 0 203.285 2.087 10 0 BEAERO NC(=[NH2+])c1cccnc1Oc1cc(F)ccc1F ZINC000071167846 181196578 /nfs/dbraw/zinc/19/65/78/181196578.db2.gz YRKRSARFMFSKPD-UHFFFAOYSA-N 1 0 249.220 2.436 10 0 BEAERO NC(=[NH2+])c1cccnc1Oc1ccc(F)cc1 ZINC000019475274 181196598 /nfs/dbraw/zinc/19/65/98/181196598.db2.gz KUUJBWUULGMFCS-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO NC(=[NH2+])c1ccnc(OCCc2cccs2)c1 ZINC000049585682 181197701 /nfs/dbraw/zinc/19/77/01/181197701.db2.gz GLNXZVNJCSDVTL-UHFFFAOYSA-N 1 0 247.323 2.049 10 0 BEAERO O[C@@H](C[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000166492206 355570484 /nfs/dbraw/zinc/57/04/84/355570484.db2.gz TZFTTZHWPUMXBT-ZJUUUORDSA-N 1 0 211.330 2.314 10 0 BEAERO [NH2+]=C1c2ccccc2CN1C[C@H]1CCCCO1 ZINC000042821880 181207262 /nfs/dbraw/zinc/20/72/62/181207262.db2.gz PMWXSVGCZLBOPR-GFCCVEGCSA-N 1 0 230.311 2.397 10 0 BEAERO CC(C)SCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398761277 355756807 /nfs/dbraw/zinc/75/68/07/355756807.db2.gz CDRGZXGNXVTOJX-AVGNSLFASA-N 1 0 243.416 2.221 10 0 BEAERO CC(C)SCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398761280 355756951 /nfs/dbraw/zinc/75/69/51/355756951.db2.gz CDRGZXGNXVTOJX-YNEHKIRRSA-N 1 0 243.416 2.221 10 0 BEAERO C[C@@]1(Cc2ncc(Cl)s2)CCC[NH2+]1 ZINC000223358930 355759702 /nfs/dbraw/zinc/75/97/02/355759702.db2.gz BGKFFQUAAYQQPZ-VIFPVBQESA-N 1 0 216.737 2.481 10 0 BEAERO Cc1ccc([C@H](O)[C@H](C)[NH3+])c(Br)c1 ZINC000129658803 355817735 /nfs/dbraw/zinc/81/77/35/355817735.db2.gz IGGXECALINLYLP-OIBJUYFYSA-N 1 0 244.132 2.138 10 0 BEAERO COc1csc([C@@H]([NH3+])C2=CCCO2)c1 ZINC000168470408 355841034 /nfs/dbraw/zinc/84/10/34/355841034.db2.gz TVUINDAGQKOFJI-JTQLQIEISA-N 1 0 211.286 2.061 10 0 BEAERO [NH3+][C@H](C1=CCCO1)c1ccncc1Cl ZINC000168449434 355830661 /nfs/dbraw/zinc/83/06/61/355830661.db2.gz QBXRHQXJIPOFAW-JTQLQIEISA-N 1 0 210.664 2.039 10 0 BEAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccco1 ZINC000167362481 355985593 /nfs/dbraw/zinc/98/55/93/355985593.db2.gz GLXVDHVYABIZAI-UHFFFAOYSA-N 1 0 242.278 2.178 10 0 BEAERO NC(=O)CC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000040940922 181228311 /nfs/dbraw/zinc/22/83/11/181228311.db2.gz IPQKGHUSUDDONI-VIFPVBQESA-N 1 0 247.125 2.259 10 0 BEAERO CC(C)(C)[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000336098665 134080985 /nfs/dbraw/zinc/08/09/85/134080985.db2.gz ZRRIOPZQNKICBS-NWDGAFQWSA-N 1 0 238.375 2.023 10 0 BEAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)[C@@H]1CC=CCC1 ZINC000037969808 181265582 /nfs/dbraw/zinc/26/55/82/181265582.db2.gz XLSFHDJNFAFEIG-YPMHNXCESA-N 1 0 236.359 2.119 10 0 BEAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)[C@H]1CC=CCC1 ZINC000037969806 181264368 /nfs/dbraw/zinc/26/43/68/181264368.db2.gz XLSFHDJNFAFEIG-AAEUAGOBSA-N 1 0 236.359 2.119 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@@H]2CCCO2)nc1 ZINC000087782213 491091995 /nfs/dbraw/zinc/09/19/95/491091995.db2.gz ZFTCJFDWVATZRR-ZDUSSCGKSA-N 1 0 220.316 2.049 10 0 BEAERO CC[C@H](C)C[NH2+]Cc1cccnc1N(C)C ZINC000128861212 324894029 /nfs/dbraw/zinc/89/40/29/324894029.db2.gz CSLSQXVPGICKFM-NSHDSACASA-N 1 0 221.348 2.283 10 0 BEAERO NC(=O)[C@H]([NH2+]Cc1ccccc1)C1CCCCC1 ZINC000037941241 181278627 /nfs/dbraw/zinc/27/86/27/181278627.db2.gz LYOYGAUOKMFPMF-CQSZACIVSA-N 1 0 246.354 2.210 10 0 BEAERO CCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019440478 356482806 /nfs/dbraw/zinc/48/28/06/356482806.db2.gz MISXPMJJEZQWNR-AVGNSLFASA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H](C[N@@H+]1CC[C@@H](O)C(C)(C)C1)C(F)(F)F ZINC000336180662 134119590 /nfs/dbraw/zinc/11/95/90/134119590.db2.gz BLNOHFNAAQJUNS-RKDXNWHRSA-N 1 0 239.281 2.278 10 0 BEAERO C[C@H]1COCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336193313 134124866 /nfs/dbraw/zinc/12/48/66/134124866.db2.gz MQGRGPBGWHYINB-MNOVXSKESA-N 1 0 233.302 2.390 10 0 BEAERO C[C@]1(C(F)(F)C(F)(F)F)CC[C@H](CC[NH3+])O1 ZINC000675056805 538479203 /nfs/dbraw/zinc/47/92/03/538479203.db2.gz PPRVONNKYJXZTI-RNFRBKRXSA-N 1 0 247.207 2.471 10 0 BEAERO CCC1(C)CC[NH+](C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675059511 538484250 /nfs/dbraw/zinc/48/42/50/538484250.db2.gz QPQABNYWPAONJL-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO [NH3+][C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]12 ZINC000675051148 538473918 /nfs/dbraw/zinc/47/39/18/538473918.db2.gz MWASXFZJZJQKRB-KXUCPTDWSA-N 1 0 224.101 2.046 10 0 BEAERO O=Cc1ccc(F)c(C=C2CC[NH2+]CC2)c1 ZINC000675051564 538474752 /nfs/dbraw/zinc/47/47/52/538474752.db2.gz NTGQVNFPZCFURZ-UHFFFAOYSA-N 1 0 219.259 2.405 10 0 BEAERO CCN1CC[C@@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000675055616 538475773 /nfs/dbraw/zinc/47/57/73/538475773.db2.gz VXVXVWJHMVNECP-CHWSQXEVSA-N 1 0 222.307 2.310 10 0 BEAERO CCCN(CCC)CC12CCC(CC1)[NH2+]2 ZINC000675056022 538477006 /nfs/dbraw/zinc/47/70/06/538477006.db2.gz IFRLPEAAJSWBTR-UHFFFAOYSA-N 1 0 210.365 2.393 10 0 BEAERO CC(C)[C@@H](C)C(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675055947 538477284 /nfs/dbraw/zinc/47/72/84/538477284.db2.gz DZKDQRIZWHYZHH-YRGRVCCFSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@H]1C[NH2+]CCN1CC1CCC(F)(F)CC1 ZINC000675056061 538477533 /nfs/dbraw/zinc/47/75/33/538477533.db2.gz JNRQPIYQSLDZDO-JTQLQIEISA-N 1 0 232.318 2.106 10 0 BEAERO Nc1cc[nH+]cc1-c1ccc(F)c(N)c1F ZINC000675056351 538478340 /nfs/dbraw/zinc/47/83/40/538478340.db2.gz IXZXWUKAKRHTAM-UHFFFAOYSA-N 1 0 221.210 2.022 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nnc(C(C)(C)C)[nH]1 ZINC000675061023 538486570 /nfs/dbraw/zinc/48/65/70/538486570.db2.gz WFHVNYOCBMJLJC-JGVFFNPUSA-N 1 0 210.325 2.148 10 0 BEAERO Cc1ccccc1[C@@H]1CC[C@H](C[NH3+])OC1 ZINC000675060879 538486739 /nfs/dbraw/zinc/48/67/39/538486739.db2.gz QUOWYIJKMHRJPP-VXGBXAGGSA-N 1 0 205.301 2.216 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])c1nnc([C@@H](C)CC)[nH]1 ZINC000675061371 538487003 /nfs/dbraw/zinc/48/70/03/538487003.db2.gz ZWRAZIVBBAEYLO-VGMNWLOBSA-N 1 0 210.325 2.364 10 0 BEAERO CCC[C@H]1[NH2+]CCCn2cc(CC)nc21 ZINC000675068218 538495828 /nfs/dbraw/zinc/49/58/28/538495828.db2.gz NSKUQFLFLDQBPI-LLVKDONJSA-N 1 0 207.321 2.280 10 0 BEAERO COc1nc2c(ccc(C)c2C)cc1C[NH3+] ZINC000675070391 538501559 /nfs/dbraw/zinc/50/15/59/538501559.db2.gz WUGURSQJTGMKGQ-UHFFFAOYSA-N 1 0 216.284 2.319 10 0 BEAERO COc1ncccc1[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000675072298 538502550 /nfs/dbraw/zinc/50/25/50/538502550.db2.gz BFLOLNUPNRBJNJ-KOLCDFICSA-N 1 0 206.289 2.293 10 0 BEAERO CC1(C(=O)NCCCC2([NH3+])CCCCC2)CC1 ZINC000675072651 538503425 /nfs/dbraw/zinc/50/34/25/538503425.db2.gz BUNYPQKAHBJRDV-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO C[C@@H](C(=O)Nc1nc(C[NH3+])cs1)C(C)(C)C ZINC000675073639 538505611 /nfs/dbraw/zinc/50/56/11/538505611.db2.gz RHHAEYXLSZZBPG-ZETCQYMHSA-N 1 0 241.360 2.223 10 0 BEAERO CCCc1cccc2c1OCC[C@H]2C[NH3+] ZINC000675074527 538507531 /nfs/dbraw/zinc/50/75/31/538507531.db2.gz YKXNQTMIFVWAIR-NSHDSACASA-N 1 0 205.301 2.464 10 0 BEAERO COc1nc2c(C)cc(F)cc2cc1C[NH3+] ZINC000675069173 538498349 /nfs/dbraw/zinc/49/83/49/538498349.db2.gz CNNFWHBZRGBIDA-UHFFFAOYSA-N 1 0 220.247 2.150 10 0 BEAERO CC[C@H](C[NH3+])[C@H](O)c1ccc(Br)o1 ZINC000083564489 538513644 /nfs/dbraw/zinc/51/36/44/538513644.db2.gz ULUJMJLHLSPHDH-MUWHJKNJSA-N 1 0 248.120 2.060 10 0 BEAERO CCCCC[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000220260511 538538658 /nfs/dbraw/zinc/53/86/58/538538658.db2.gz IQYSLNFVMJBWPZ-LBPRGKRZSA-N 1 0 207.321 2.351 10 0 BEAERO C[C@](O)(CC[NH3+])c1ccccc1Br ZINC000085899515 538548205 /nfs/dbraw/zinc/54/82/05/538548205.db2.gz NXQJDGUJPOWTPU-JTQLQIEISA-N 1 0 244.132 2.005 10 0 BEAERO Cc1nc(C)c(C(=O)C[C@@H]2CCC[NH2+]2)s1 ZINC000086499631 538556407 /nfs/dbraw/zinc/55/64/07/538556407.db2.gz RJILHMGIXUXGDK-VIFPVBQESA-N 1 0 224.329 2.085 10 0 BEAERO C[C@@H]1CC[NH2+][C@H]([C@@H]2CCC(C)(C)C2=O)C1 ZINC000130359103 538587645 /nfs/dbraw/zinc/58/76/45/538587645.db2.gz QSJVACRIELFXCJ-VWYCJHECSA-N 1 0 209.333 2.380 10 0 BEAERO C[C@H]1CCC[C@@H](CC(=O)c2ccco2)[NH2+]1 ZINC000130299130 538590293 /nfs/dbraw/zinc/59/02/93/538590293.db2.gz OMKMDXFOHJGXDC-UWVGGRQHSA-N 1 0 207.273 2.383 10 0 BEAERO C[C@H]1CC[NH2+][C@@H](CC(=O)c2ccco2)C1 ZINC000130298280 538590765 /nfs/dbraw/zinc/59/07/65/538590765.db2.gz OBZQRSYDKTWHHQ-VHSXEESVSA-N 1 0 207.273 2.241 10 0 BEAERO CC[NH2+]C[C@]1(C)CCOc2ccccc21 ZINC000317544473 538605495 /nfs/dbraw/zinc/60/54/95/538605495.db2.gz BGVJFBLKHRTCEQ-ZDUSSCGKSA-N 1 0 205.301 2.336 10 0 BEAERO CC(C)([NH3+])C(=O)c1ccc(Cl)s1 ZINC000168661270 356890563 /nfs/dbraw/zinc/89/05/63/356890563.db2.gz BPTOIODHNLZULU-UHFFFAOYSA-N 1 0 203.694 2.322 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020137988 356998324 /nfs/dbraw/zinc/99/83/24/356998324.db2.gz UJWUEEMLXSCJMF-NWDGAFQWSA-N 1 0 235.327 2.461 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020137993 356998619 /nfs/dbraw/zinc/99/86/19/356998619.db2.gz UJWUEEMLXSCJMF-RYUDHWBXSA-N 1 0 235.327 2.461 10 0 BEAERO c1coc(C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000020137714 356998637 /nfs/dbraw/zinc/99/86/37/356998637.db2.gz IAJZNWNSVDETPX-LBPRGKRZSA-N 1 0 245.278 2.209 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368692499 356976919 /nfs/dbraw/zinc/97/69/19/356976919.db2.gz NQUVEWQQXTWKQF-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1nc(NC2(C[NH3+])CCC2)sc1C ZINC000129840801 356984274 /nfs/dbraw/zinc/98/42/74/356984274.db2.gz HAYSOHAUBDPFLV-UHFFFAOYSA-N 1 0 211.334 2.053 10 0 BEAERO C[NH2+]Cc1ccc(N2CCCCC2)s1 ZINC000026340381 357037154 /nfs/dbraw/zinc/03/71/54/357037154.db2.gz IYCFKHSEOVLIPK-UHFFFAOYSA-N 1 0 210.346 2.458 10 0 BEAERO CCc1cc(CC)nc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389696515 357015232 /nfs/dbraw/zinc/01/52/32/357015232.db2.gz DNCNIKMQYKLKIA-ZWNOBZJWSA-N 1 0 248.374 2.011 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1nccc(C(C)(C)C)n1 ZINC000389706741 357018150 /nfs/dbraw/zinc/01/81/50/357018150.db2.gz ONGSBDAWSHRXLY-GHMZBOCLSA-N 1 0 248.374 2.184 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@H]1c1ccco1 ZINC000193446061 357077929 /nfs/dbraw/zinc/07/79/29/357077929.db2.gz KKBPAGYISFBPHW-LBPRGKRZSA-N 1 0 222.332 2.415 10 0 BEAERO CC1(C[NH2+]C[C@H]2CCCn3ccnc32)CC1 ZINC000390449767 357093626 /nfs/dbraw/zinc/09/36/26/357093626.db2.gz ZDIGBASLAHOGSC-LLVKDONJSA-N 1 0 219.332 2.150 10 0 BEAERO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccn1 ZINC000391385320 357129220 /nfs/dbraw/zinc/12/92/20/357129220.db2.gz YRIPAOZBOOKROJ-DZGCQCFKSA-N 1 0 245.370 2.059 10 0 BEAERO C[C@H]1Oc2cc(Br)c(F)cc2[C@H]1[NH3+] ZINC000137655993 357224579 /nfs/dbraw/zinc/22/45/79/357224579.db2.gz HWDIASYDIKRVTK-MOFOKWOHSA-N 1 0 246.079 2.369 10 0 BEAERO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]1CO ZINC000393489188 357284652 /nfs/dbraw/zinc/28/46/52/357284652.db2.gz RYIYAFXOKROTNV-XHNCKOQMSA-N 1 0 225.254 2.078 10 0 BEAERO CC(C)SCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000393659338 357291293 /nfs/dbraw/zinc/29/12/93/357291293.db2.gz REHDCACMEYKJNA-SNVBAGLBSA-N 1 0 219.394 2.125 10 0 BEAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000393195893 357278342 /nfs/dbraw/zinc/27/83/42/357278342.db2.gz ZVEDUNSQZBJNTH-WRWGMCAJSA-N 1 0 211.349 2.172 10 0 BEAERO CC1(C[NH2+]CC2(O)CCOCC2)CCCCC1 ZINC000394679984 357375890 /nfs/dbraw/zinc/37/58/90/357375890.db2.gz XKCDMRPKCXCROZ-UHFFFAOYSA-N 1 0 241.375 2.088 10 0 BEAERO CC(C)[C@]1(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000397173923 357508342 /nfs/dbraw/zinc/50/83/42/357508342.db2.gz AELZLPORTPJEFN-NDBYEHHHSA-N 1 0 211.349 2.314 10 0 BEAERO CC1CCC(C[NH2+]CCc2ccn(C)n2)CC1 ZINC000230880210 357575891 /nfs/dbraw/zinc/57/58/91/357575891.db2.gz LPHCHFKBTZAUGG-UHFFFAOYSA-N 1 0 235.375 2.379 10 0 BEAERO COC1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000230389859 357532541 /nfs/dbraw/zinc/53/25/41/357532541.db2.gz YKZMHDKKJMDIES-ABXWRUBCSA-N 1 0 241.375 2.085 10 0 BEAERO C[C@@H]([NH3+])CCNC(=O)Nc1ccccc1Cl ZINC000063170771 357551695 /nfs/dbraw/zinc/55/16/95/357551695.db2.gz VVAZQQXQKSMPHS-MRVPVSSYSA-N 1 0 241.722 2.199 10 0 BEAERO CC[C@H](C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000189261748 357626280 /nfs/dbraw/zinc/62/62/80/357626280.db2.gz VGSSEFASXPLTQT-AVGNSLFASA-N 1 0 240.391 2.268 10 0 BEAERO COC[C@H](O)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000231607377 357611352 /nfs/dbraw/zinc/61/13/52/357611352.db2.gz KEFPGHVJMCOFII-FRRDWIJNSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[NH2+]2 ZINC000685945599 538887345 /nfs/dbraw/zinc/88/73/45/538887345.db2.gz WSMAXRYYFOMQSC-GXFFZTMASA-N 1 0 240.347 2.043 10 0 BEAERO [NH3+]CC[C@@H]1C[C@H]1Cc1ccc(F)c(F)c1 ZINC000685948294 538890344 /nfs/dbraw/zinc/89/03/44/538890344.db2.gz GFPZGMWAXCDIAZ-NXEZZACHSA-N 1 0 211.255 2.492 10 0 BEAERO CCCC[N@H+](CCO)[C@@H]1CC[C@@H]2CC[C@H]21 ZINC000685948658 538891048 /nfs/dbraw/zinc/89/10/48/538891048.db2.gz SITQTDWGSWYYCN-YNEHKIRRSA-N 1 0 211.349 2.269 10 0 BEAERO CCC1(C)CC[NH+]([C@H]2CCNC[C@@H]2F)CC1 ZINC000685948676 538891235 /nfs/dbraw/zinc/89/12/35/538891235.db2.gz SVDTUHWELQOJEN-RYUDHWBXSA-N 1 0 228.355 2.199 10 0 BEAERO [NH3+]C[C@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000685948835 538892042 /nfs/dbraw/zinc/89/20/42/538892042.db2.gz DOGAVBYZCFOQQX-PSASIEDQSA-N 1 0 231.217 2.127 10 0 BEAERO c1cc([C@@H]2CC[NH2+]C2)ccc1[C@@H]1CCO1 ZINC000685950022 538893434 /nfs/dbraw/zinc/89/34/34/538893434.db2.gz FBVDMOMEDANRKE-OLZOCXBDSA-N 1 0 203.285 2.225 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCSC ZINC000086194157 357872183 /nfs/dbraw/zinc/87/21/83/357872183.db2.gz CSEUYIWAEQJIQJ-CHWSQXEVSA-N 1 0 242.432 2.298 10 0 BEAERO C[C@@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000399265779 357900618 /nfs/dbraw/zinc/90/06/18/357900618.db2.gz NXAGGSXLYSWSIN-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO CO[C@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)c1ccccc1 ZINC000639938674 357944188 /nfs/dbraw/zinc/94/41/88/357944188.db2.gz IEEBWXAZBQFYGO-BPLDGKMQSA-N 1 0 249.354 2.219 10 0 BEAERO Cc1nc(NCC(C)(C)C[NH3+])sc1C ZINC000168942870 357998601 /nfs/dbraw/zinc/99/86/01/357998601.db2.gz OKLKXECIRUTBCW-UHFFFAOYSA-N 1 0 213.350 2.157 10 0 BEAERO C[C@@H](CC(N)=O)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000220415690 358041014 /nfs/dbraw/zinc/04/10/14/358041014.db2.gz KKHBRNNEWWZVEH-QWRGUYRKSA-N 1 0 226.364 2.199 10 0 BEAERO CN(CCC[NH3+])c1ncc(Cl)cc1Cl ZINC000037673606 358091775 /nfs/dbraw/zinc/09/17/75/358091775.db2.gz YXPLQIHCZVQVFF-UHFFFAOYSA-N 1 0 234.130 2.173 10 0 BEAERO CC(C)[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000037386091 358079252 /nfs/dbraw/zinc/07/92/52/358079252.db2.gz AJSXTLYCUNMRDA-AWEZNQCLSA-N 1 0 246.354 2.178 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000037691520 358092023 /nfs/dbraw/zinc/09/20/23/358092023.db2.gz VFSYTSPLZXTAEA-ZIAGYGMSSA-N 1 0 237.318 2.261 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640046031 358131356 /nfs/dbraw/zinc/13/13/56/358131356.db2.gz RGAYXYCUAXPPOJ-LPEHRKFASA-N 1 0 239.281 2.134 10 0 BEAERO C[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000038134000 358115635 /nfs/dbraw/zinc/11/56/35/358115635.db2.gz VUKVXFNMQOEJJD-CHWSQXEVSA-N 1 0 223.291 2.135 10 0 BEAERO C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000038133999 358116096 /nfs/dbraw/zinc/11/60/96/358116096.db2.gz VUKVXFNMQOEJJD-QWHCGFSZSA-N 1 0 223.291 2.135 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCc2c(N)c(N)ccc2C1 ZINC000038589778 358169902 /nfs/dbraw/zinc/16/99/02/358169902.db2.gz KDCMMXLCHAPMRL-JTQLQIEISA-N 1 0 233.359 2.255 10 0 BEAERO C[C@@H](O)C(C)(C)[NH2+][C@H](C)Cc1ccsc1 ZINC000134376182 325355967 /nfs/dbraw/zinc/35/59/67/325355967.db2.gz PSBXSONVBZHPQP-NXEZZACHSA-N 1 0 227.373 2.428 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H]2CCOc3cccc1c32 ZINC000039018530 358217054 /nfs/dbraw/zinc/21/70/54/358217054.db2.gz YVEAYKIGLDSQMI-ZJUUUORDSA-N 1 0 203.285 2.389 10 0 BEAERO COc1ccc2cccc3c2c1[C@@H](C[NH3+])C3 ZINC000039018998 358217149 /nfs/dbraw/zinc/21/71/49/358217149.db2.gz IUDBPCFMNRBVFD-LLVKDONJSA-N 1 0 213.280 2.447 10 0 BEAERO C[C@@H](CNc1cccnn1)C[NH+]1CCCCC1 ZINC000052830945 358232709 /nfs/dbraw/zinc/23/27/09/358232709.db2.gz ZUXCPRYXVQWINI-LBPRGKRZSA-N 1 0 234.347 2.011 10 0 BEAERO [NH3+]CCN1CC[C@H](C2CC2)c2ccccc21 ZINC000584612711 358276437 /nfs/dbraw/zinc/27/64/37/358276437.db2.gz AZVGEFUCOBUWEJ-GFCCVEGCSA-N 1 0 216.328 2.349 10 0 BEAERO COC(=O)[C@H](CCC[NH+](C)C)Cc1ccccc1 ZINC000584596695 358253870 /nfs/dbraw/zinc/25/38/70/358253870.db2.gz GSGNUUWPOLHGFW-CQSZACIVSA-N 1 0 249.354 2.360 10 0 BEAERO COC(=O)CCCCCCC[NH+](C)C ZINC000584607031 358267378 /nfs/dbraw/zinc/26/73/78/358267378.db2.gz SAIKEVCJCJKLTP-UHFFFAOYSA-N 1 0 201.310 2.062 10 0 BEAERO C[N@@H+]1CC[C@H]([C@]2(O)CCCc3ccccc32)C1 ZINC000584620320 358287569 /nfs/dbraw/zinc/28/75/69/358287569.db2.gz AAWPKDIOJDKYEX-DZGCQCFKSA-N 1 0 231.339 2.162 10 0 BEAERO C[N@@H+]1CC[C@@H]([C@]2(O)CCCc3ccccc32)C1 ZINC000584620327 358287620 /nfs/dbraw/zinc/28/76/20/358287620.db2.gz AAWPKDIOJDKYEX-UKRRQHHQSA-N 1 0 231.339 2.162 10 0 BEAERO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)Cc1ccccc1 ZINC000584650809 358305635 /nfs/dbraw/zinc/30/56/35/358305635.db2.gz YXUHUEJBLNZKJC-QWHCGFSZSA-N 1 0 249.354 2.359 10 0 BEAERO CCO[C@H](c1ccccc1)C1=[NH+]CCCN1C ZINC000584650870 358305830 /nfs/dbraw/zinc/30/58/30/358305830.db2.gz KHNZFTJRVWUGAR-CYBMUJFWSA-N 1 0 232.327 2.498 10 0 BEAERO O=C([N-][n+]1ccccc1)C1CCCCCC1 ZINC000584651502 358306325 /nfs/dbraw/zinc/30/63/25/358306325.db2.gz ZNFLSSIEGSOTFP-UHFFFAOYSA-O 1 0 219.308 2.015 10 0 BEAERO CN1C(=O)[C@@H]2CCCCCN2[C@H]1C(C)(C)C ZINC000584655392 358308465 /nfs/dbraw/zinc/30/84/65/358308465.db2.gz PBVUUCTXGPMVOL-JQWIXIFHSA-N 1 0 224.348 2.075 10 0 BEAERO O[C@@H]1c2ccccc2C[C@H]1C[C@H]1CCCC[NH2+]1 ZINC000584618078 358283671 /nfs/dbraw/zinc/28/36/71/358283671.db2.gz NSKQZYPQQYYWJR-GUTXKFCHSA-N 1 0 231.339 2.425 10 0 BEAERO c1ccc(C2([C@@H]3CCCC[NH2+]3)OCCCO2)cc1 ZINC000584643156 358327729 /nfs/dbraw/zinc/32/77/29/358327729.db2.gz XESVVSFCBZYBHF-AWEZNQCLSA-N 1 0 247.338 2.418 10 0 BEAERO C[C@@H]1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)[C@@H](C)C1 ZINC000227086140 358348817 /nfs/dbraw/zinc/34/88/17/358348817.db2.gz QKDOUKUMDPSIQP-OWTLIXCDSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C(F)(F)F)nn1 ZINC000228269498 358372183 /nfs/dbraw/zinc/37/21/83/358372183.db2.gz YQDDNLWIDFMVOF-NKWVEPMBSA-N 1 0 248.252 2.033 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](C)C(C)C ZINC000227893244 358365536 /nfs/dbraw/zinc/36/55/36/358365536.db2.gz FSLPSSFZOCWQBZ-STQMWFEESA-N 1 0 231.380 2.046 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]CC(C)(C)CC ZINC000227897789 358365906 /nfs/dbraw/zinc/36/59/06/358365906.db2.gz HNLCDVUAFGNHCG-LBPRGKRZSA-N 1 0 231.380 2.190 10 0 BEAERO CC(C)[NH2+]CCC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044678839 358392277 /nfs/dbraw/zinc/39/22/77/358392277.db2.gz UTOCXAJMUNVSCW-KGLIPLIRSA-N 1 0 246.354 2.047 10 0 BEAERO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COC(C)C ZINC000219296532 134277470 /nfs/dbraw/zinc/27/74/70/134277470.db2.gz GPDRKUHNDAHKBL-UONOGXRCSA-N 1 0 243.391 2.427 10 0 BEAERO C=Cn1cc(C[NH2+][C@@H]2C[C@@H]2CCC)cn1 ZINC000219389426 134281149 /nfs/dbraw/zinc/28/11/49/134281149.db2.gz KXRRXVYUCNLLHW-NWDGAFQWSA-N 1 0 205.305 2.262 10 0 BEAERO C[C@@H]1OCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000196303497 358430883 /nfs/dbraw/zinc/43/08/83/358430883.db2.gz LFMHGYSOHGYRMA-CYBMUJFWSA-N 1 0 247.338 2.414 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1nc2ccccc2[nH]1 ZINC000130519805 358629904 /nfs/dbraw/zinc/62/99/04/358629904.db2.gz NWPKMTLKTODZTG-JTQLQIEISA-N 1 0 232.331 2.492 10 0 BEAERO COC(=O)c1coc(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000130788096 358644587 /nfs/dbraw/zinc/64/45/87/358644587.db2.gz YFAHBDIZLVCNSX-SNVBAGLBSA-N 1 0 239.315 2.448 10 0 BEAERO COc1c(C)cc(C[N@H+](C)C[C@H](C)O)cc1C ZINC000130655991 358638134 /nfs/dbraw/zinc/63/81/34/358638134.db2.gz UODVTWMSQXDJFA-LBPRGKRZSA-N 1 0 237.343 2.125 10 0 BEAERO CCc1nc(CC[NH2+][C@H](C)C(C)(C)C)no1 ZINC000129287903 358585636 /nfs/dbraw/zinc/58/56/36/358585636.db2.gz IKLZLDUYXRREMR-SECBINFHSA-N 1 0 225.336 2.199 10 0 BEAERO CCC1CC[NH+](C[C@H]2CCCC2=O)CC1 ZINC000053930810 358656263 /nfs/dbraw/zinc/65/62/63/358656263.db2.gz NMWABEKJDYKFBS-GFCCVEGCSA-N 1 0 209.333 2.478 10 0 BEAERO COc1cc(OC)cc([C@@H]2C[NH2+]CC2(C)C)c1 ZINC000211484186 358696710 /nfs/dbraw/zinc/69/67/10/358696710.db2.gz NXGWCWPRZCPNOS-ZDUSSCGKSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc(OC)c([C@H]2C[NH2+]CC2(C)C)c1 ZINC000211483770 358696974 /nfs/dbraw/zinc/69/69/74/358696974.db2.gz OYKAKIAYDOVXAX-GFCCVEGCSA-N 1 0 235.327 2.417 10 0 BEAERO CC(C)C[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000051489975 358752669 /nfs/dbraw/zinc/75/26/69/358752669.db2.gz OHIIMZZVTNEGSN-UHFFFAOYSA-N 1 0 230.315 2.013 10 0 BEAERO CSCC[N@@H+]1CCSCC1(C)C ZINC000306148252 358758667 /nfs/dbraw/zinc/75/86/67/358758667.db2.gz CCVKYVYQEDYRCK-UHFFFAOYSA-N 1 0 205.392 2.177 10 0 BEAERO CC(C)[C@H]([NH3+])CCN(C)c1nc2ccccc2[nH]1 ZINC000133613499 358761776 /nfs/dbraw/zinc/76/17/76/358761776.db2.gz IOMRXZZWRFPCPJ-LLVKDONJSA-N 1 0 246.358 2.373 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)C(C)(C)C ZINC000132155178 358708705 /nfs/dbraw/zinc/70/87/05/358708705.db2.gz JFOMBCZZWMSEQT-QWRGUYRKSA-N 1 0 249.420 2.224 10 0 BEAERO CCn1nc(-c2ccccc2)c2c1CC[NH2+]C2 ZINC000211549440 358721346 /nfs/dbraw/zinc/72/13/46/358721346.db2.gz SFHBGYBNKCLHKS-UHFFFAOYSA-N 1 0 227.311 2.216 10 0 BEAERO CCc1cc(CC)n(CC2CC[NH2+]CC2)n1 ZINC000132496507 358724393 /nfs/dbraw/zinc/72/43/93/358724393.db2.gz QGNPBBUDYCBPBJ-UHFFFAOYSA-N 1 0 221.348 2.008 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1 ZINC000050394463 358726621 /nfs/dbraw/zinc/72/66/21/358726621.db2.gz WLEPUDXUIVQSMC-QWHCGFSZSA-N 1 0 232.327 2.006 10 0 BEAERO COc1c(C[NH2+]C[C@H](C)C(C)C)c(C)nn1C ZINC000134913836 358810825 /nfs/dbraw/zinc/81/08/25/358810825.db2.gz FDCUEQMBVGKPKU-JTQLQIEISA-N 1 0 239.363 2.119 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@@H]1C[C@H]1C ZINC000321875609 259481031 /nfs/dbraw/zinc/48/10/31/259481031.db2.gz IFNOXDMKDIZDQD-WISYIIOYSA-N 1 0 244.342 2.424 10 0 BEAERO C[C@H]([NH2+]CCN1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000053343423 358825108 /nfs/dbraw/zinc/82/51/08/358825108.db2.gz LCXOKOPDQQDYOS-RDBSUJKOSA-N 1 0 240.391 2.018 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000052762293 358792480 /nfs/dbraw/zinc/79/24/80/358792480.db2.gz KFXZEQYBQCPDKQ-OAHLLOKOSA-N 1 0 233.355 2.466 10 0 BEAERO C/C=C/C=C/C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000134522887 358794354 /nfs/dbraw/zinc/79/43/54/358794354.db2.gz INHFBQDGEYXWIR-MQQKCMAXSA-N 1 0 242.322 2.038 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054078871 358850670 /nfs/dbraw/zinc/85/06/70/358850670.db2.gz ANVZJCKCXRSQJJ-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054080053 358851270 /nfs/dbraw/zinc/85/12/70/358851270.db2.gz ALFCJWAAFPVHNW-NEPJUHHUSA-N 1 0 240.391 2.412 10 0 BEAERO C[N@H+](CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000058874478 358916512 /nfs/dbraw/zinc/91/65/12/358916512.db2.gz HPHYKZYMZLZPME-UHFFFAOYSA-N 1 0 226.364 2.166 10 0 BEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC000214565465 358875122 /nfs/dbraw/zinc/87/51/22/358875122.db2.gz YQKLPHIMWWTGAC-YNEHKIRRSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)[N@H+](CCCF)C1CCOCC1 ZINC000137605105 358897849 /nfs/dbraw/zinc/89/78/49/358897849.db2.gz UEEOCQWTKZPLFD-UHFFFAOYSA-N 1 0 203.301 2.235 10 0 BEAERO Fc1ccccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000061040704 358931314 /nfs/dbraw/zinc/93/13/14/358931314.db2.gz MYLWGEWLCPYFLK-UHFFFAOYSA-N 1 0 248.345 2.496 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCCS2)sn1 ZINC000306158837 358952560 /nfs/dbraw/zinc/95/25/60/358952560.db2.gz DNJCZBOLGBENPU-IONNQARKSA-N 1 0 214.359 2.347 10 0 BEAERO C[C@@H]1C[C@@H]1NC1=[NH+][C@@H]2CCC[C@H]2CS1 ZINC000300402777 358989853 /nfs/dbraw/zinc/98/98/53/358989853.db2.gz QYCBJCWDGADGTA-RGOKHQFPSA-N 1 0 210.346 2.256 10 0 BEAERO C[C@]1([C@H]([NH3+])c2ccsn2)CCCS1 ZINC000306179922 358991524 /nfs/dbraw/zinc/99/15/24/358991524.db2.gz IYXJRSBOJJVFFN-RKDXNWHRSA-N 1 0 214.359 2.429 10 0 BEAERO Cn1c(N)[nH+]cc1-c1csc(Cl)c1 ZINC000306190052 359004577 /nfs/dbraw/zinc/00/45/77/359004577.db2.gz WFIDRFUYKPIHBW-UHFFFAOYSA-N 1 0 213.693 2.384 10 0 BEAERO C[C@H]1COC[C@H](C)[NH+]1Cc1ccccc1N(C)C ZINC000072685989 359088367 /nfs/dbraw/zinc/08/83/67/359088367.db2.gz COQOVUBRTRVHQB-STQMWFEESA-N 1 0 248.370 2.362 10 0 BEAERO Cc1nc2ccccc2nc1NC[C@@H]([NH3+])C(C)C ZINC000070447845 359056898 /nfs/dbraw/zinc/05/68/98/359056898.db2.gz PLHDJDXLWPXKIK-LLVKDONJSA-N 1 0 244.342 2.333 10 0 BEAERO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1[C@H]1CCOC1=O ZINC000246560585 359146225 /nfs/dbraw/zinc/14/62/25/359146225.db2.gz UTNCXEZIOWVBIZ-BNOWGMLFSA-N 1 0 245.322 2.180 10 0 BEAERO Cc1csc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)n1 ZINC000246598375 359149586 /nfs/dbraw/zinc/14/95/86/359149586.db2.gz CSDKHYZVCQLMGL-GARJFASQSA-N 1 0 240.372 2.406 10 0 BEAERO C/C=C/C=C/C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246949934 359177508 /nfs/dbraw/zinc/17/75/08/359177508.db2.gz LOMMUZCFKRPZQI-GJFLRVCJSA-N 1 0 248.370 2.204 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000247157384 359197733 /nfs/dbraw/zinc/19/77/33/359197733.db2.gz RVXOQIJDIRLHNA-ZLKJLUDKSA-N 1 0 219.328 2.279 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1[C@@H]1C=CCCC1 ZINC000247313701 359211245 /nfs/dbraw/zinc/21/12/45/359211245.db2.gz OFKOJOMDAJAPBW-MCIONIFRSA-N 1 0 220.360 2.264 10 0 BEAERO CCSCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248175537 359257609 /nfs/dbraw/zinc/25/76/09/359257609.db2.gz VNQPGWWANGTAQI-STQMWFEESA-N 1 0 243.416 2.367 10 0 BEAERO C[C@H]1CC[C@@]([NH3+])(c2ncc(Cl)cn2)C1 ZINC000306212411 359307713 /nfs/dbraw/zinc/30/77/13/359307713.db2.gz VQTMFMTXAWTZBI-XVKPBYJWSA-N 1 0 211.696 2.104 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1c(F)cccc1Cl ZINC000306229629 359361541 /nfs/dbraw/zinc/36/15/41/359361541.db2.gz YVXMCVHMYHVRHI-ZCFIWIBFSA-N 1 0 215.655 2.399 10 0 BEAERO C[C@H]([NH3+])[C@@](C)(F)c1ccc(F)c(F)c1 ZINC000306216068 359322428 /nfs/dbraw/zinc/32/24/28/359322428.db2.gz PCNKCOQDFRIFJO-QUBYGPBYSA-N 1 0 203.207 2.497 10 0 BEAERO Cc1nnc([C@@]2([NH3+])CCC[C@@H](C)C2)s1 ZINC000306217509 359331349 /nfs/dbraw/zinc/33/13/49/359331349.db2.gz DCDRXVXHNQAAGT-GMSGAONNSA-N 1 0 211.334 2.211 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@H]1c1ccsc1Cl ZINC000306222824 359345306 /nfs/dbraw/zinc/34/53/06/359345306.db2.gz KVKIXQIVRZNSLJ-DTWKUNHWSA-N 1 0 230.764 2.496 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@H]1c1csc(C)c1 ZINC000306221333 359346266 /nfs/dbraw/zinc/34/62/66/359346266.db2.gz JKFHHVGGLYFXIV-GHMZBOCLSA-N 1 0 210.346 2.151 10 0 BEAERO C[C@H]([NH3+])[C@@H](O)c1cc(Cl)sc1Cl ZINC000306255167 359460383 /nfs/dbraw/zinc/46/03/83/359460383.db2.gz MGDRREHPQRDDMG-BBIVZNJYSA-N 1 0 226.128 2.436 10 0 BEAERO C[C@H]1C[C@H](C(=O)NCc2ccccc2)[NH2+][C@@H](C)C1 ZINC000306278156 359509564 /nfs/dbraw/zinc/50/95/64/359509564.db2.gz VZSUZZDPIAQGDJ-MBNYWOFBSA-N 1 0 246.354 2.079 10 0 BEAERO C[C@@H]1CSC2(C[C@H]3CC[C@@H](C2)S3)[NH2+]1 ZINC000403582012 359554688 /nfs/dbraw/zinc/55/46/88/359554688.db2.gz KTKGAVRWQJNNEL-HNJRMYHASA-N 1 0 215.387 2.466 10 0 BEAERO C[C@@H]1C[NH2+]C2(C[C@H]3CC[C@@H](C2)S3)S1 ZINC000403581281 359555508 /nfs/dbraw/zinc/55/55/08/359555508.db2.gz KKKGGXAIKPWCKD-HNJRMYHASA-N 1 0 215.387 2.466 10 0 BEAERO Cc1ccc(CC(N)=[NH2+])cc1Br ZINC000306311912 359593338 /nfs/dbraw/zinc/59/33/38/359593338.db2.gz RZWNDRJHFFFXIN-UHFFFAOYSA-N 1 0 227.105 2.236 10 0 BEAERO O=CC1CC[NH+](CC2CCCCC2)CC1 ZINC000054239074 359713686 /nfs/dbraw/zinc/71/36/86/359713686.db2.gz IRAOKCKFRFGLAV-UHFFFAOYSA-N 1 0 209.333 2.478 10 0 BEAERO CC1=CC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000309124605 491145266 /nfs/dbraw/zinc/14/52/66/491145266.db2.gz PCBOONJFPMDQPN-RWMBFGLXSA-N 1 0 209.333 2.378 10 0 BEAERO C[C@H]1[NH+]=C(N[C@H]2CCSC2)SC[C@H]1C ZINC000231359812 359915361 /nfs/dbraw/zinc/91/53/61/359915361.db2.gz OAGCPNKXBCYSLR-HLTSFMKQSA-N 1 0 230.402 2.209 10 0 BEAERO CCn1c(C)nnc1C[NH2+]C1(CC)CCCC1 ZINC000451269757 202391059 /nfs/dbraw/zinc/39/10/59/202391059.db2.gz ACSBYCZPNRDGPK-UHFFFAOYSA-N 1 0 236.363 2.419 10 0 BEAERO C[C@H]([NH2+]CC1CCC(C)CC1)c1nncn1C ZINC000089575940 360027118 /nfs/dbraw/zinc/02/71/18/360027118.db2.gz JVSMQYWLBLXYBZ-CXQJBGSLSA-N 1 0 236.363 2.292 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCC(=O)N(C)C2)CC1 ZINC000089577151 360027370 /nfs/dbraw/zinc/02/73/70/360027370.db2.gz KEABELVPOHDGGB-WXRRBKDZSA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000042590316 360003710 /nfs/dbraw/zinc/00/37/10/360003710.db2.gz KCQYDDPNSIPFMZ-QMMMGPOBSA-N 1 0 214.671 2.017 10 0 BEAERO C[C@@H](C[NH3+])CNc1cc(F)ccc1Cl ZINC000306471091 360093910 /nfs/dbraw/zinc/09/39/10/360093910.db2.gz RFMYWZRRXJFVKZ-ZETCQYMHSA-N 1 0 216.687 2.486 10 0 BEAERO C[C@H](CC(F)F)Nc1cccc(N)[nH+]1 ZINC000306471560 360096885 /nfs/dbraw/zinc/09/68/85/360096885.db2.gz SBVKENMQQQBKQS-ZCFIWIBFSA-N 1 0 201.220 2.119 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C(C)C ZINC000090226986 360067453 /nfs/dbraw/zinc/06/74/53/360067453.db2.gz YLHPKPCNJKBTNI-VXGBXAGGSA-N 1 0 236.363 2.446 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1nc(Cl)cs1 ZINC000306463955 360076241 /nfs/dbraw/zinc/07/62/41/360076241.db2.gz AAQIYTOZEUTTOO-NTSWFWBYSA-N 1 0 219.741 2.334 10 0 BEAERO C[C@@H]1C[C@H](C)O[C@](C)(C(F)(F)F)C[NH2+]1 ZINC000306469137 360083625 /nfs/dbraw/zinc/08/36/25/360083625.db2.gz OWCAKYPGMBGYDK-CSMHCCOUSA-N 1 0 211.227 2.094 10 0 BEAERO CC1(NC2=[NH+]C[C@H](C3CCC3)S2)CC1 ZINC000306468918 360083849 /nfs/dbraw/zinc/08/38/49/360083849.db2.gz ONQXVTFEEVSHPI-SECBINFHSA-N 1 0 210.346 2.400 10 0 BEAERO C[N@@H+]1CCC[C@@H]2C[NH+](CC(C)(C)C)CC[C@H]21 ZINC000092043325 360147406 /nfs/dbraw/zinc/14/74/06/360147406.db2.gz NMUUSSWUGRSSTO-CHWSQXEVSA-N 1 0 224.392 2.449 10 0 BEAERO CC(C)(C)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070201 360149480 /nfs/dbraw/zinc/14/94/80/360149480.db2.gz PVQPWRZNOPLWMD-GFCCVEGCSA-N 1 0 236.363 2.036 10 0 BEAERO CC(C)C[C@@H]1CC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000306478357 360125850 /nfs/dbraw/zinc/12/58/50/360125850.db2.gz CWSYROWYSFQCAM-RYUDHWBXSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]1CCCN1C(=[NH2+])NCc1ccccc1 ZINC000306491624 360209090 /nfs/dbraw/zinc/20/90/90/360209090.db2.gz OMMNPPPKBXFCMQ-NSHDSACASA-N 1 0 217.316 2.195 10 0 BEAERO CC[C@@H](C)C[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000093080275 360215272 /nfs/dbraw/zinc/21/52/72/360215272.db2.gz FCNJNVZBNKFBFO-MWLCHTKSSA-N 1 0 222.336 2.057 10 0 BEAERO OC[C@@]1(Cc2sccc2Cl)CCC[NH2+]1 ZINC000306517314 360344516 /nfs/dbraw/zinc/34/45/16/360344516.db2.gz AFHDTISYDSECSR-JTQLQIEISA-N 1 0 231.748 2.059 10 0 BEAERO COC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1 ZINC000306517403 360344632 /nfs/dbraw/zinc/34/46/32/360344632.db2.gz AGPBZMAHNYDWIY-RYUDHWBXSA-N 1 0 207.317 2.447 10 0 BEAERO CCO[C@@H]1C[C@@H]([NH2+]C2COC2)C12CCCCC2 ZINC000094710078 360316275 /nfs/dbraw/zinc/31/62/75/360316275.db2.gz MQPRFZHQCYLRCW-CHWSQXEVSA-N 1 0 239.359 2.103 10 0 BEAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3ccccc3)no2)C1 ZINC000097067623 360360379 /nfs/dbraw/zinc/36/03/79/360360379.db2.gz NVNNGZKNOJKVOL-NWDGAFQWSA-N 1 0 243.310 2.255 10 0 BEAERO CNC(=[NH2+])c1cc(F)c(F)cc1Br ZINC000306536198 360400191 /nfs/dbraw/zinc/40/01/91/360400191.db2.gz QKVFTPXXLXNTGZ-UHFFFAOYSA-N 1 0 249.058 2.272 10 0 BEAERO Nc1c[nH+]cc(Cl)c1NCCCF ZINC000306529034 360378163 /nfs/dbraw/zinc/37/81/63/360378163.db2.gz HPRTZGSLCLFJPJ-UHFFFAOYSA-N 1 0 203.648 2.089 10 0 BEAERO C[NH2+][C@@H](C)c1cnc(-c2ccsc2)[nH]1 ZINC000306540286 360405548 /nfs/dbraw/zinc/40/55/48/360405548.db2.gz ORONKCPLWFYXSI-ZETCQYMHSA-N 1 0 207.302 2.419 10 0 BEAERO CC[C@]1([C@@H]2CCOC2)[NH2+][C@@H](C)CCS1 ZINC000306545435 360414281 /nfs/dbraw/zinc/41/42/81/360414281.db2.gz VXDIKEWZBNMVPI-AXFHLTTASA-N 1 0 215.362 2.244 10 0 BEAERO CCn1cnc([C@@H]([NH3+])c2cccs2)c1 ZINC000306551133 360424767 /nfs/dbraw/zinc/42/47/67/360424767.db2.gz ZTGKLXOBVDQOFS-SNVBAGLBSA-N 1 0 207.302 2.013 10 0 BEAERO C[C@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)CCS1 ZINC000306554018 360426958 /nfs/dbraw/zinc/42/69/58/360426958.db2.gz LGVMQWATXCWADS-QWRGUYRKSA-N 1 0 227.373 2.326 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@H]1C(=O)CC1=CCCC1 ZINC000306581990 360479769 /nfs/dbraw/zinc/47/97/69/360479769.db2.gz OZOHMYSASYLZCX-ZYHUDNBSSA-N 1 0 207.317 2.302 10 0 BEAERO C[C@@H]1C[C@H](NC(=[NH2+])C(C)(C)C)CS1 ZINC000306588008 360492469 /nfs/dbraw/zinc/49/24/69/360492469.db2.gz SSJMKTJHRNEJAG-SFYZADRCSA-N 1 0 200.351 2.493 10 0 BEAERO C1CC(S[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000300832039 360531141 /nfs/dbraw/zinc/53/11/41/360531141.db2.gz KOKJUVIXYSVRQM-SNVBAGLBSA-N 1 0 215.362 2.041 10 0 BEAERO O=C(C[C@H]1CCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000300799191 360504392 /nfs/dbraw/zinc/50/43/92/360504392.db2.gz AFSNBGHHMXYAIC-RKDXNWHRSA-N 1 0 217.259 2.133 10 0 BEAERO [NH3+]Cc1ccc(OC(F)F)c(F)c1F ZINC000306590849 360510150 /nfs/dbraw/zinc/51/01/50/360510150.db2.gz YEGGKWMURYCIIW-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO CC[C@@H](OC)[C@@H]1[NH2+]CCc2sccc21 ZINC000306592274 360510349 /nfs/dbraw/zinc/51/03/49/360510349.db2.gz ZLKNDBSXPACHHP-MWLCHTKSSA-N 1 0 211.330 2.360 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ncccc2Cl)C1 ZINC000309483174 491149573 /nfs/dbraw/zinc/14/95/73/491149573.db2.gz UITQATLUZDSSCK-MWLCHTKSSA-N 1 0 239.750 2.487 10 0 BEAERO C[C@H]1CSC[C@H]1[NH2+]Cc1sccc1N ZINC000306596803 360518871 /nfs/dbraw/zinc/51/88/71/360518871.db2.gz ZAUVSLSXIULUFP-IONNQARKSA-N 1 0 228.386 2.171 10 0 BEAERO CCc1csc(N[C@H]2C[N@H+](CC)C[C@@H]2C)n1 ZINC000309463591 491149699 /nfs/dbraw/zinc/14/96/99/491149699.db2.gz OQEOTKCTUINMJL-ONGXEEELSA-N 1 0 239.388 2.458 10 0 BEAERO CC[NH2+][C@@H](C)c1cn(C2CCCCC2)nn1 ZINC000381060306 360576274 /nfs/dbraw/zinc/57/62/74/360576274.db2.gz KVCAIZSPJMQQRO-JTQLQIEISA-N 1 0 222.336 2.454 10 0 BEAERO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000309548421 491151070 /nfs/dbraw/zinc/15/10/70/491151070.db2.gz HLPQAMNNRGGVMA-UONOGXRCSA-N 1 0 219.328 2.280 10 0 BEAERO CSC(C)(C)CNc1c[nH+]ccc1N ZINC000306611947 360852179 /nfs/dbraw/zinc/85/21/79/360852179.db2.gz HKLYQIKWKQEVPV-UHFFFAOYSA-N 1 0 211.334 2.217 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000161613926 200723359 /nfs/dbraw/zinc/72/33/59/200723359.db2.gz XEDSGSRYSSNECI-RCOVLWMOSA-N 1 0 230.080 2.403 10 0 BEAERO Cc1ccc([C@H]2COC(=[NH2+])N2)cc1Cl ZINC000169698888 360930665 /nfs/dbraw/zinc/93/06/65/360930665.db2.gz VSQWMMRTAVQJNH-SECBINFHSA-N 1 0 210.664 2.034 10 0 BEAERO CC[N@H+]1C[C@H](Nc2cc(C)ccn2)[C@@H](C)C1 ZINC000309668620 491154250 /nfs/dbraw/zinc/15/42/50/491154250.db2.gz VEPFCSGTWUEDRY-RYUDHWBXSA-N 1 0 219.332 2.142 10 0 BEAERO C/C=C/CN1CC[NH+](Cc2ccccc2)CC1 ZINC000138689409 361100876 /nfs/dbraw/zinc/10/08/76/361100876.db2.gz JRLXALXGIIJHTR-NSCUHMNNSA-N 1 0 230.355 2.380 10 0 BEAERO CC(C)C[C@H]([NH3+])c1cc(Cl)cnc1N ZINC000069943510 361174086 /nfs/dbraw/zinc/17/40/86/361174086.db2.gz XYYHNNVXWTZYKB-VIFPVBQESA-N 1 0 213.712 2.363 10 0 BEAERO CC1CCC(C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631216596 361165798 /nfs/dbraw/zinc/16/57/98/361165798.db2.gz PNYCYJPHIWVHBM-VQXHTEKXSA-N 1 0 235.318 2.418 10 0 BEAERO C[C@@H](Oc1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000041053958 361208132 /nfs/dbraw/zinc/20/81/32/361208132.db2.gz LTPRSISCADBXHA-NKWVEPMBSA-N 1 0 201.216 2.079 10 0 BEAERO [NH3+]C1(C(=O)NCCC2CCCC2)CCCCC1 ZINC000037740080 181326464 /nfs/dbraw/zinc/32/64/64/181326464.db2.gz MCYTUYHFRTXQSA-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO [NH3+]C1(c2ccc(OC(F)F)cc2)CCOCC1 ZINC000036906433 181333800 /nfs/dbraw/zinc/33/38/00/181333800.db2.gz IWHCPUHFYXYAQU-UHFFFAOYSA-N 1 0 243.253 2.252 10 0 BEAERO [NH3+]C1(c2ccc(F)cc2Cl)CCOCC1 ZINC000062607049 181334136 /nfs/dbraw/zinc/33/41/36/181334136.db2.gz USTWCWLCAIDZPS-UHFFFAOYSA-N 1 0 229.682 2.444 10 0 BEAERO CCN(Cc1ccoc1)C(=O)C[C@H]([NH3+])C(C)C ZINC000629599353 361486430 /nfs/dbraw/zinc/48/64/30/361486430.db2.gz DVVPFMBJOOIQJD-LBPRGKRZSA-N 1 0 238.331 2.002 10 0 BEAERO CCC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000310003507 491159014 /nfs/dbraw/zinc/15/90/14/491159014.db2.gz FPSCYWLDOOGMGI-GVXVVHGQSA-N 1 0 226.364 2.022 10 0 BEAERO [NH2+]=C1N[C@H](c2cccnc2)Cc2ccsc21 ZINC000025979333 181339576 /nfs/dbraw/zinc/33/95/76/181339576.db2.gz DQFBGLAGAZYBJX-JTQLQIEISA-N 1 0 229.308 2.146 10 0 BEAERO Cc1nc(C)c([C@@H]2[NH2+]C[C@H](C)S2)s1 ZINC000306637895 361585261 /nfs/dbraw/zinc/58/52/61/361585261.db2.gz MQRGHSJUQWQQRV-SSDLBLMSSA-N 1 0 214.359 2.483 10 0 BEAERO COC(C)(C)c1nc([C@H](C)[NH3+])c(C)s1 ZINC000306638983 361585388 /nfs/dbraw/zinc/58/53/88/361585388.db2.gz CMUSDWVUAONUGC-LURJTMIESA-N 1 0 214.334 2.353 10 0 BEAERO Cc1ccsc1C[NH2+]Cc1cn[nH]c1 ZINC000038005660 361634473 /nfs/dbraw/zinc/63/44/73/361634473.db2.gz RXUBYOUYKGJWCX-UHFFFAOYSA-N 1 0 207.302 2.069 10 0 BEAERO Clc1cccnc1SC[C@@H]1CC[NH2+]C1 ZINC000070615603 361631686 /nfs/dbraw/zinc/63/16/86/361631686.db2.gz OKDKLPJMZIHIRA-MRVPVSSYSA-N 1 0 228.748 2.437 10 0 BEAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1nccs1 ZINC000083143098 491159989 /nfs/dbraw/zinc/15/99/89/491159989.db2.gz FXSIGGRXNUWKTK-ZJUUUORDSA-N 1 0 226.345 2.363 10 0 BEAERO [NH3+]C1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000037482518 181342279 /nfs/dbraw/zinc/34/22/79/181342279.db2.gz IJFYAKTXJFRJGN-UHFFFAOYSA-N 1 0 233.237 2.413 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+]Cc1cn[nH]c1 ZINC000038006153 361661544 /nfs/dbraw/zinc/66/15/44/361661544.db2.gz LONLZXSBWURFFH-SNVBAGLBSA-N 1 0 219.288 2.114 10 0 BEAERO Cc1cc([C@H]2OCC[C@@H]2C[NH3+])c(C)s1 ZINC000070627217 361680271 /nfs/dbraw/zinc/68/02/71/361680271.db2.gz PVXDWXSBBYRLKU-KOLCDFICSA-N 1 0 211.330 2.401 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cncn1C ZINC000310024718 491160300 /nfs/dbraw/zinc/16/03/00/491160300.db2.gz OROITIILJBFXCK-DGCLKSJQSA-N 1 0 221.348 2.479 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037164744 361711712 /nfs/dbraw/zinc/71/17/12/361711712.db2.gz ZLKRPNRIZXZFNJ-NDBYEHHHSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000134261397 491162609 /nfs/dbraw/zinc/16/26/09/491162609.db2.gz NRPLICZAAMGXOE-SNVBAGLBSA-N 1 0 209.337 2.289 10 0 BEAERO CCOc1ccccc1[C@@H](N)CC[NH2+]C(C)C ZINC000725263478 541336394 /nfs/dbraw/zinc/33/63/94/541336394.db2.gz IJXCCBFOOWVNKN-ZDUSSCGKSA-N 1 0 236.359 2.473 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)cc(C(C)C)n1 ZINC000630527713 364214359 /nfs/dbraw/zinc/21/43/59/364214359.db2.gz SHMWUHCZNFDJNQ-NWDGAFQWSA-N 1 0 248.374 2.461 10 0 BEAERO CCc1cc(CC)nc(N[C@@H]2CC[NH2+][C@H]2CC)n1 ZINC000630527736 364214889 /nfs/dbraw/zinc/21/48/89/364214889.db2.gz UAMLXBRMQLBUFW-QWHCGFSZSA-N 1 0 248.374 2.154 10 0 BEAERO C[C@H]1CC[C@H](Nc2cnc3ccccc3n2)C[NH2+]1 ZINC000630532177 364220220 /nfs/dbraw/zinc/22/02/20/364220220.db2.gz FVDWJVLYODVFAM-QWRGUYRKSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@H]1CC[C@@H](Nc2cnc3ccccc3n2)C[NH2+]1 ZINC000630532179 364220771 /nfs/dbraw/zinc/22/07/71/364220771.db2.gz FVDWJVLYODVFAM-WDEREUQCSA-N 1 0 242.326 2.182 10 0 BEAERO CCc1csc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630532596 364221196 /nfs/dbraw/zinc/22/11/96/364221196.db2.gz JXJBYCYQVFVIEV-WCBMZHEXSA-N 1 0 225.361 2.258 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630532156 364221464 /nfs/dbraw/zinc/22/14/64/364221464.db2.gz FFGGYUHUBBFUKH-ZYHUDNBSSA-N 1 0 248.374 2.461 10 0 BEAERO [NH3+][C@@H]1CCCCCN(c2nc3ccccc3[nH]2)C1 ZINC000630550499 364243957 /nfs/dbraw/zinc/24/39/57/364243957.db2.gz ROVZVPPGNVOLOE-LLVKDONJSA-N 1 0 244.342 2.271 10 0 BEAERO C[C@H]1CN(c2nccc3ccccc32)C[C@@H]1C[NH3+] ZINC000630554555 364250805 /nfs/dbraw/zinc/25/08/05/364250805.db2.gz QJERJEYWHMVQFK-AAEUAGOBSA-N 1 0 241.338 2.266 10 0 BEAERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)nc(C)n1 ZINC000630558068 364257236 /nfs/dbraw/zinc/25/72/36/364257236.db2.gz WMGFLEVLCAKQBX-HAQNSBGRSA-N 1 0 234.347 2.023 10 0 BEAERO Cc1cccc(NC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000630580111 364277800 /nfs/dbraw/zinc/27/78/00/364277800.db2.gz BFACJBJIBZWGSI-RYUDHWBXSA-N 1 0 247.342 2.054 10 0 BEAERO C[C@H]1CC[C@H](Nc2ncnc3ccccc32)C[NH2+]1 ZINC000630533500 364225911 /nfs/dbraw/zinc/22/59/11/364225911.db2.gz CQOWQVAYOOTHIM-QWRGUYRKSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ncnc3sccc32)C[NH2+]1 ZINC000630533732 364226155 /nfs/dbraw/zinc/22/61/55/364226155.db2.gz QKRRGWNCGRWXNL-BDAKNGLRSA-N 1 0 248.355 2.244 10 0 BEAERO [NH3+]CC1(O)CCC(Cc2ccc(F)cc2)CC1 ZINC000040443083 181361901 /nfs/dbraw/zinc/36/19/01/181361901.db2.gz FMUNWGKEWASYJL-UHFFFAOYSA-N 1 0 237.318 2.248 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000037623201 364338717 /nfs/dbraw/zinc/33/87/17/364338717.db2.gz UJCAKMOWBLJYJJ-OKZRHMCRSA-N 1 0 238.375 2.008 10 0 BEAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037623236 364339304 /nfs/dbraw/zinc/33/93/04/364339304.db2.gz ZVSDRTANSNTESU-UHFFFAOYSA-N 1 0 232.327 2.451 10 0 BEAERO [NH3+]CC1(c2c(F)ccc(F)c2F)CC1 ZINC000075934192 181361282 /nfs/dbraw/zinc/36/12/82/181361282.db2.gz PRTAGWIFCHFNIV-UHFFFAOYSA-N 1 0 201.191 2.094 10 0 BEAERO [NH3+]CC1(OC[C@@H]2CCCO2)CCCCCC1 ZINC000050493886 181361648 /nfs/dbraw/zinc/36/16/48/181361648.db2.gz VLGYFNFCQPBUHN-LBPRGKRZSA-N 1 0 227.348 2.234 10 0 BEAERO CO[C@@H](C)[C@@H](C)[NH2+]CCCCSC ZINC000133924887 364379051 /nfs/dbraw/zinc/37/90/51/364379051.db2.gz RFLCJVDDFISOII-ZJUUUORDSA-N 1 0 205.367 2.143 10 0 BEAERO CO[C@H](C)[C@@H](C)[NH2+]CCCCSC ZINC000133924486 364379622 /nfs/dbraw/zinc/37/96/22/364379622.db2.gz RFLCJVDDFISOII-NXEZZACHSA-N 1 0 205.367 2.143 10 0 BEAERO C[C@H]1Oc2c(ccc(Cl)c2F)[C@H]1[NH3+] ZINC000130684817 364416392 /nfs/dbraw/zinc/41/63/92/364416392.db2.gz HLKMBBLZLVGROU-VHWMUFPASA-N 1 0 201.628 2.260 10 0 BEAERO CC[C@H](C)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246447777 364595118 /nfs/dbraw/zinc/59/51/18/364595118.db2.gz IJUIYGPNACQYFV-XQQFMLRXSA-N 1 0 210.365 2.201 10 0 BEAERO [NH3+]CCCC(=O)Cc1cccc(Cl)c1 ZINC000082372986 181371114 /nfs/dbraw/zinc/37/11/14/181371114.db2.gz HESRQUUDGQJJAM-UHFFFAOYSA-N 1 0 211.692 2.191 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCN(CC)C2)s1 ZINC000328177180 364814370 /nfs/dbraw/zinc/81/43/70/364814370.db2.gz LOVJYCDSOXCADC-NSHDSACASA-N 1 0 238.400 2.494 10 0 BEAERO OC1CC(C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000168264051 364892574 /nfs/dbraw/zinc/89/25/74/364892574.db2.gz NGSGIAPXQNAOKG-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO [NH3+]CCCCCc1ccc2c(c1)OCCO2 ZINC000036160569 181375459 /nfs/dbraw/zinc/37/54/59/181375459.db2.gz UXHVECUMJFICRT-UHFFFAOYSA-N 1 0 221.300 2.129 10 0 BEAERO [NH3+]CCCN(CC1CC1)c1ccccc1 ZINC000036765310 181379719 /nfs/dbraw/zinc/37/97/19/181379719.db2.gz ZHJZSFLKSZZDAA-UHFFFAOYSA-N 1 0 204.317 2.252 10 0 BEAERO [NH3+]CCCN(C(=O)C1CCC1)C1CCCCC1 ZINC000036731525 181379826 /nfs/dbraw/zinc/37/98/26/181379826.db2.gz HYUNCLLLQQDTJE-UHFFFAOYSA-N 1 0 238.375 2.297 10 0 BEAERO [NH3+]CCCOc1ccc2c(c1)CCCC2 ZINC000042227827 181384997 /nfs/dbraw/zinc/38/49/97/181384997.db2.gz MMGVNIWSVYYAFX-UHFFFAOYSA-N 1 0 205.301 2.293 10 0 BEAERO [NH3+]CCC[C@H]1CCCN1C(=O)c1ccccc1 ZINC000084516201 181385576 /nfs/dbraw/zinc/38/55/76/181385576.db2.gz BNQFZZPIWIFENP-ZDUSSCGKSA-N 1 0 232.327 2.030 10 0 BEAERO [NH3+]CCCc1nc(-c2ccco2)cs1 ZINC000011886665 181387499 /nfs/dbraw/zinc/38/74/99/181387499.db2.gz JUZXMYYWSPQWKE-UHFFFAOYSA-N 1 0 208.286 2.294 10 0 BEAERO [NH3+]CCCc1nc(-c2cccs2)c[nH]1 ZINC000036876230 181387576 /nfs/dbraw/zinc/38/75/76/181387576.db2.gz XNGOBWMIECVCQH-UHFFFAOYSA-N 1 0 207.302 2.030 10 0 BEAERO [NH3+]CCCn1c(C2CCC2)nc2cccnc21 ZINC000049454761 181389102 /nfs/dbraw/zinc/38/91/02/181389102.db2.gz KNAIUPKRXLZQJP-UHFFFAOYSA-N 1 0 230.315 2.048 10 0 BEAERO [NH3+]CCN(Cc1cccnc1)C1CCCCC1 ZINC000076615607 181390579 /nfs/dbraw/zinc/39/05/79/181390579.db2.gz MAMVSTFYOBCDGA-UHFFFAOYSA-N 1 0 233.359 2.175 10 0 BEAERO [NH3+]CCN(Cc1ccco1)Cc1ccc(F)cc1 ZINC000032103575 181390779 /nfs/dbraw/zinc/39/07/79/181390779.db2.gz BZTFRZIBONTDGP-UHFFFAOYSA-N 1 0 248.301 2.380 10 0 BEAERO [NH3+]CCN(C[C@@H]1CCCO1)CC1CCCCC1 ZINC000076622618 181390817 /nfs/dbraw/zinc/39/08/17/181390817.db2.gz STNCYDWNJZFAAM-AWEZNQCLSA-N 1 0 240.391 2.006 10 0 BEAERO [NH3+]CCN(Cc1ccco1)Cc1cccs1 ZINC000032090109 181390908 /nfs/dbraw/zinc/39/09/08/181390908.db2.gz SFKUULNXIXVLSU-UHFFFAOYSA-N 1 0 236.340 2.302 10 0 BEAERO [NH3+]CC[C@@H](O)c1c[nH]c2c1cccc2Cl ZINC000082361173 181402798 /nfs/dbraw/zinc/40/27/98/181402798.db2.gz ORLYBIRPMKSWGG-SNVBAGLBSA-N 1 0 224.691 2.204 10 0 BEAERO [NH3+]CCNc1ccccc1C(F)(F)F ZINC000051692033 181398664 /nfs/dbraw/zinc/39/86/64/181398664.db2.gz BAFBHZLTOGXENP-UHFFFAOYSA-N 1 0 204.195 2.076 10 0 BEAERO [NH3+]CCOCCOc1cccc2ccccc21 ZINC000041257392 181399407 /nfs/dbraw/zinc/39/94/07/181399407.db2.gz ADGOFPBIENCRBQ-UHFFFAOYSA-N 1 0 231.295 2.194 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125052904 541452016 /nfs/dbraw/zinc/45/20/16/541452016.db2.gz OGQQJKIKEOZTNF-VXGBXAGGSA-N 1 0 226.364 2.153 10 0 BEAERO [NH3+]CCSCCOc1ccc2ncccc2c1 ZINC000020399405 181401783 /nfs/dbraw/zinc/40/17/83/181401783.db2.gz WAFLZHPWYFDCAG-UHFFFAOYSA-N 1 0 248.351 2.306 10 0 BEAERO [NH3+]CC[C@H](O)c1ccc(Cl)cc1Cl ZINC000074367358 181407977 /nfs/dbraw/zinc/40/79/77/181407977.db2.gz GQHPYGIQUXNUQV-VIFPVBQESA-N 1 0 220.099 2.376 10 0 BEAERO [NH3+]CCc1cc(F)cc(Br)c1 ZINC000044397293 181411695 /nfs/dbraw/zinc/41/16/95/181411695.db2.gz PIHQIURSIOLYJN-UHFFFAOYSA-N 1 0 218.069 2.089 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1SC1CCOCC1 ZINC000062055168 181428258 /nfs/dbraw/zinc/42/82/58/181428258.db2.gz PVLJIJOWVBJEQB-CMPLNLGQSA-N 1 0 229.389 2.416 10 0 BEAERO CC[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000379797517 365273574 /nfs/dbraw/zinc/27/35/74/365273574.db2.gz KVWGEBMBFWNVRB-QNWHQSFQSA-N 1 0 212.381 2.338 10 0 BEAERO CC(C)N(C(C)C)[C@@H](CC[NH3+])C(F)(F)F ZINC000675056320 541462386 /nfs/dbraw/zinc/46/23/86/541462386.db2.gz HJPRBJZFGDJLBX-VIFPVBQESA-N 1 0 226.286 2.385 10 0 BEAERO CC(C)(C)c1nnc([C@@H]([NH3+])C(C)(C)C)[nH]1 ZINC000675060542 541464016 /nfs/dbraw/zinc/46/40/16/541464016.db2.gz IFRBIZZBMGXKDK-SSDOTTSWSA-N 1 0 210.325 2.148 10 0 BEAERO C[C@H]([NH3+])[C@@H]1COc2c(F)cc(Cl)cc2C1 ZINC000675063315 541464672 /nfs/dbraw/zinc/46/46/72/541464672.db2.gz CBGFJSIKHQFCAJ-XPUUQOCRSA-N 1 0 229.682 2.377 10 0 BEAERO Cc1cc2c(cc1C)OC[C@@H]([C@@H](C)[NH3+])C2 ZINC000675063943 541465646 /nfs/dbraw/zinc/46/56/46/541465646.db2.gz UPDFUCRMOYYHAF-PWSUYJOCSA-N 1 0 205.301 2.202 10 0 BEAERO C[NH+]1CCC(/C=C/Br)CC1 ZINC000685964067 541498110 /nfs/dbraw/zinc/49/81/10/541498110.db2.gz SWKNZVAUCAXIOK-GORDUTHDSA-N 1 0 204.111 2.237 10 0 BEAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C2CC2)n1C ZINC000183061898 366972681 /nfs/dbraw/zinc/97/26/81/366972681.db2.gz SHYNYFMHLUBDKX-NXEZZACHSA-N 1 0 236.363 2.217 10 0 BEAERO CCC[C@@H](C)c1cc2n(n1)[C@@H](C[NH3+])CCN2 ZINC000233285579 541508573 /nfs/dbraw/zinc/50/85/73/541508573.db2.gz BTCVQYVTSMELOD-NXEZZACHSA-N 1 0 222.336 2.102 10 0 BEAERO CCC[NH2+]Cc1nc(CN(C)CCC)cs1 ZINC000052444358 541514613 /nfs/dbraw/zinc/51/46/13/541514613.db2.gz UBMORVRMDBXBIB-UHFFFAOYSA-N 1 0 241.404 2.485 10 0 BEAERO CCC[C@H](C)c1cc2n(n1)[C@@H](C[NH3+])CCN2 ZINC000233342125 541508642 /nfs/dbraw/zinc/50/86/42/541508642.db2.gz BTCVQYVTSMELOD-VHSXEESVSA-N 1 0 222.336 2.102 10 0 BEAERO CC[C@@H](C[NH3+])[C@@H](O)c1occc1Br ZINC000233873131 541509985 /nfs/dbraw/zinc/50/99/85/541509985.db2.gz MZSBZFYAKGUHEP-POYBYMJQSA-N 1 0 248.120 2.060 10 0 BEAERO CC1(C[NH2+][C@@H]2C[C@H]2CO)CCCCCC1 ZINC000380288657 367171970 /nfs/dbraw/zinc/17/19/70/367171970.db2.gz BBHRQPFRQPVTRN-NWDGAFQWSA-N 1 0 211.349 2.317 10 0 BEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000380589989 367247856 /nfs/dbraw/zinc/24/78/56/367247856.db2.gz TWYRQCVSXRFTSK-MNOVXSKESA-N 1 0 248.326 2.099 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncnc3ccsc32)C1 ZINC000382458912 367527793 /nfs/dbraw/zinc/52/77/93/367527793.db2.gz STHTXIHBDHXFBY-IUCAKERBSA-N 1 0 248.355 2.231 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2nccc3occc32)C1 ZINC000382477428 367529264 /nfs/dbraw/zinc/52/92/64/367529264.db2.gz UJPHRAJKYKTKDE-UWVGGRQHSA-N 1 0 231.299 2.367 10 0 BEAERO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000382333973 367509720 /nfs/dbraw/zinc/50/97/20/367509720.db2.gz XJYJFFMEOKMNDS-MROQNXINSA-N 1 0 211.349 2.173 10 0 BEAERO CC(C)(C)c1ccnc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382431102 367523255 /nfs/dbraw/zinc/52/32/55/367523255.db2.gz QTXZVEXEJVTWFP-GHMZBOCLSA-N 1 0 248.374 2.313 10 0 BEAERO [NH3+]CC[C@@H](Nc1ncccc1Cl)C(F)F ZINC000383485689 367627104 /nfs/dbraw/zinc/62/71/04/367627104.db2.gz PCHGNHPFRLYKBH-SSDOTTSWSA-N 1 0 235.665 2.129 10 0 BEAERO CCCN(CC1CC1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384296187 367682892 /nfs/dbraw/zinc/68/28/92/367682892.db2.gz XIGLYXRBUKIZAW-WCQYABFASA-N 1 0 238.375 2.023 10 0 BEAERO O=C1CCC[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000252704163 367688853 /nfs/dbraw/zinc/68/88/53/367688853.db2.gz MICSIFOWSHRJRA-SDDRHHMPSA-N 1 0 207.317 2.088 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384878336 367749042 /nfs/dbraw/zinc/74/90/42/367749042.db2.gz JKFRKXIOPKTKES-IGQOVBAYSA-N 1 0 242.407 2.118 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CN1c1cccc(C(F)(F)F)n1 ZINC000385213625 367809154 /nfs/dbraw/zinc/80/91/54/367809154.db2.gz FGAQQNCTPVUAGV-JGVFFNPUSA-N 1 0 245.248 2.026 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1nnc2n1CCC2 ZINC000385496714 367835300 /nfs/dbraw/zinc/83/53/00/367835300.db2.gz RJWABMZXOBMROZ-NNYUYHANSA-N 1 0 246.358 2.064 10 0 BEAERO CC(C)c1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)ncn1 ZINC000385521668 367840475 /nfs/dbraw/zinc/84/04/75/367840475.db2.gz POLLPWJUQAHLBP-BXUZGUMPSA-N 1 0 248.374 2.021 10 0 BEAERO CC(C)[C@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 ZINC000252728014 367900706 /nfs/dbraw/zinc/90/07/06/367900706.db2.gz WDAIUTDFZLACOE-RYUDHWBXSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1cnc(NCc2ccc(C[NH3+])cc2)nc1C ZINC000386635367 368004702 /nfs/dbraw/zinc/00/47/02/368004702.db2.gz HKHPUOVTNJCFFC-UHFFFAOYSA-N 1 0 242.326 2.164 10 0 BEAERO CCCCN(C)c1nc(C)c(CC[NH3+])s1 ZINC000057517733 168786588 /nfs/dbraw/zinc/78/65/88/168786588.db2.gz YSOWCIKRXWYFPU-UHFFFAOYSA-N 1 0 227.377 2.189 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccccc1F ZINC000054929287 368305572 /nfs/dbraw/zinc/30/55/72/368305572.db2.gz KHBQVDWFUZSSNJ-NWDGAFQWSA-N 1 0 211.280 2.233 10 0 BEAERO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(N)cc12 ZINC000038674502 368327159 /nfs/dbraw/zinc/32/71/59/368327159.db2.gz BBSNAHSUZJDFLE-GFCCVEGCSA-N 1 0 229.327 2.387 10 0 BEAERO CC[NH2+][C@@H]1CCc2ccc3c(c21)CCO3 ZINC000114638475 368341288 /nfs/dbraw/zinc/34/12/88/368341288.db2.gz KOTMXKCFVRQXCL-LLVKDONJSA-N 1 0 203.285 2.218 10 0 BEAERO c1ccc(-c2cccnc2C2C[NH2+]C2)cc1 ZINC000140129226 368347102 /nfs/dbraw/zinc/34/71/02/368347102.db2.gz VYCJPQIGAAPKND-UHFFFAOYSA-N 1 0 210.280 2.435 10 0 BEAERO CC(C)N1CC[C@H]([NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000101630935 368381684 /nfs/dbraw/zinc/38/16/84/368381684.db2.gz NYTMJOXACKSUEO-QWHCGFSZSA-N 1 0 240.297 2.447 10 0 BEAERO COc1ccc([C@@H]2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000144485228 368394107 /nfs/dbraw/zinc/39/41/07/368394107.db2.gz XQYZITZLEACFSW-WCFLWFBJSA-N 1 0 203.285 2.018 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000253067883 368444645 /nfs/dbraw/zinc/44/46/45/368444645.db2.gz KIMYANVRAWRQBF-LPEHRKFASA-N 1 0 214.378 2.029 10 0 BEAERO O=[N+]1Cc2ccccc2[C@H](O)C12CCCCC2 ZINC000000021721 368476889 /nfs/dbraw/zinc/47/68/89/368476889.db2.gz WEOPEQDYGKXYHA-ZDUSSCGKSA-N 1 0 231.295 2.366 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000335583389 181436310 /nfs/dbraw/zinc/43/63/10/181436310.db2.gz XCYRGRLRQMPTPA-SCZZXKLOSA-N 1 0 225.723 2.274 10 0 BEAERO CC(C)C[C@](C)([NH3+])C(=O)OC(C)(C)C ZINC000080434236 368507370 /nfs/dbraw/zinc/50/73/70/368507370.db2.gz YWLNXAREFLBDMQ-NSHDSACASA-N 1 0 201.310 2.092 10 0 BEAERO O=C(C1CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000253167903 368581608 /nfs/dbraw/zinc/58/16/08/368581608.db2.gz YFWVFYFQPQFRLB-WCQGTBRESA-N 1 0 207.317 2.276 10 0 BEAERO C[C@@H]([C@@H]1COc2ccccc2O1)[NH+]1CCCC1 ZINC000001843855 368708763 /nfs/dbraw/zinc/70/87/63/368708763.db2.gz KAXULGXUSBBIMN-FZMZJTMJSA-N 1 0 233.311 2.311 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000110814995 368814365 /nfs/dbraw/zinc/81/43/65/368814365.db2.gz SNWVURNCKDCJHZ-OLZOCXBDSA-N 1 0 238.375 2.025 10 0 BEAERO Cc1cccc(C(O)(C[NH3+])c2cccc(C)c2)c1 ZINC000084547921 368856853 /nfs/dbraw/zinc/85/68/53/368856853.db2.gz VPNMWRCQKIZNMI-UHFFFAOYSA-N 1 0 241.334 2.498 10 0 BEAERO CC1(C(=O)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000113347471 368890083 /nfs/dbraw/zinc/89/00/83/368890083.db2.gz XDFBSWREOVOYSJ-UHFFFAOYSA-N 1 0 221.275 2.398 10 0 BEAERO CC(C)[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000088837203 368930066 /nfs/dbraw/zinc/93/00/66/368930066.db2.gz LBYAMEQRWTXPGM-CHWSQXEVSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1csc(=O)n1CC[NH2+][C@H](C)C(C)(C)C ZINC000114473641 368940905 /nfs/dbraw/zinc/94/09/05/368940905.db2.gz YJNUZOBLMWWPPM-SNVBAGLBSA-N 1 0 242.388 2.242 10 0 BEAERO N#CC1(Cc2ccccc2)CC[NH2+]CC1 ZINC000114482046 368942393 /nfs/dbraw/zinc/94/23/93/368942393.db2.gz MSVDHGFTGMDGAC-UHFFFAOYSA-N 1 0 200.285 2.122 10 0 BEAERO CCC[C@H]1Cn2c(=O)[nH]c3cccc(c32)C[NH2+]1 ZINC000006381370 369046295 /nfs/dbraw/zinc/04/62/95/369046295.db2.gz QSULKPHFKMWJAK-JTQLQIEISA-N 1 0 231.299 2.014 10 0 BEAERO [NH3+]C[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000019505284 181465318 /nfs/dbraw/zinc/46/53/18/181465318.db2.gz ANVGAKFOPWZVGN-SECBINFHSA-N 1 0 244.260 2.490 10 0 BEAERO [NH3+]C[C@H]1OCCc2c(Br)scc21 ZINC000090397766 181468309 /nfs/dbraw/zinc/46/83/09/181468309.db2.gz JPULNNSJRQZWLJ-SSDOTTSWSA-N 1 0 248.145 2.083 10 0 BEAERO [NH3+]C[C@]1(CO)C[C@H]1c1c(Cl)cccc1Cl ZINC000070500426 181469318 /nfs/dbraw/zinc/46/93/18/181469318.db2.gz TWNYIEFGMCVKNA-CPCISQLKSA-N 1 0 246.137 2.418 10 0 BEAERO Oc1ccc2c(c1)[nH]cc2C1CC[NH2+]CC1 ZINC000108257652 369383989 /nfs/dbraw/zinc/38/39/89/369383989.db2.gz FFIUCWNXGFAPDJ-UHFFFAOYSA-N 1 0 216.284 2.341 10 0 BEAERO [NH3+]Cc1ccc(Oc2ccc(F)cn2)cc1 ZINC000043558794 181485924 /nfs/dbraw/zinc/48/59/24/181485924.db2.gz HWKLAQKOODBBCZ-UHFFFAOYSA-N 1 0 218.231 2.472 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000459782059 203368856 /nfs/dbraw/zinc/36/88/56/203368856.db2.gz XEIGKIRLRLYKDM-NSHDSACASA-N 1 0 238.375 2.214 10 0 BEAERO [NH3+]Cc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000011850985 181493715 /nfs/dbraw/zinc/49/37/15/181493715.db2.gz CBOZFDRDDSJOPV-UHFFFAOYSA-N 1 0 238.294 2.122 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C[C@@H]1CO ZINC000621374289 370316528 /nfs/dbraw/zinc/31/65/28/370316528.db2.gz YBRQDAYFFTZGBH-VHDGCEQUSA-N 1 0 245.366 2.277 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cn[nH]c1)CC2 ZINC000113310480 370399865 /nfs/dbraw/zinc/39/98/65/370399865.db2.gz DFLIKIRUNZUTFD-AWEZNQCLSA-N 1 0 227.311 2.495 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cccc(CCO)c2)C1 ZINC000216070233 370592173 /nfs/dbraw/zinc/59/21/73/370592173.db2.gz ZXYKCCIKQBXWFN-AWEZNQCLSA-N 1 0 219.328 2.031 10 0 BEAERO CC[C@@H]1CS[C@H](c2nccs2)N1 ZINC000161613943 370604380 /nfs/dbraw/zinc/60/43/80/370604380.db2.gz PQLBZDSSTTXUDA-HTRCEHHLSA-N 1 0 200.332 2.257 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000389961603 371183443 /nfs/dbraw/zinc/18/34/43/371183443.db2.gz WAZLYDKAASZLKO-PWSUYJOCSA-N 1 0 207.321 2.468 10 0 BEAERO [NH3+][C@@H](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000053817784 181558487 /nfs/dbraw/zinc/55/84/87/181558487.db2.gz BHFHSFRHGIZIFR-QWRGUYRKSA-N 1 0 211.330 2.187 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631063953 371241308 /nfs/dbraw/zinc/24/13/08/371241308.db2.gz PDGPHGRMHKYNBW-XVKPBYJWSA-N 1 0 241.132 2.342 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccncc1Br ZINC000631063946 371241617 /nfs/dbraw/zinc/24/16/17/371241617.db2.gz PDGPHGRMHKYNBW-GMSGAONNSA-N 1 0 241.132 2.342 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCCC2CCCC2)C1 ZINC000055087943 181583807 /nfs/dbraw/zinc/58/38/07/181583807.db2.gz KGPOEEVVAHASBQ-QWHCGFSZSA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+][C@@H]1CCCc2ccc(C(F)(F)F)cc2[C@@H]1O ZINC000019795619 181585944 /nfs/dbraw/zinc/58/59/44/181585944.db2.gz VETYAZFXIGHOEL-MNOVXSKESA-N 1 0 245.244 2.402 10 0 BEAERO [NH3+][C@@H]1CCN(C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000070299439 181588343 /nfs/dbraw/zinc/58/83/43/181588343.db2.gz MFOXIVRDVQGIJV-CHWSQXEVSA-N 1 0 238.281 2.201 10 0 BEAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1cccc(Cl)c1 ZINC000082360273 181590135 /nfs/dbraw/zinc/59/01/35/181590135.db2.gz IGUBAGLVAOHGHI-CMPLNLGQSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1c(F)c(F)c(F)c(F)c1F ZINC000072170757 181600275 /nfs/dbraw/zinc/60/02/75/181600275.db2.gz NZZZWLLBMMVQQY-PWNYCUMCSA-N 1 0 223.144 2.197 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1cc(Br)ccc1F ZINC000037381329 181601269 /nfs/dbraw/zinc/60/12/69/181601269.db2.gz JBBSYADOBQRXPS-IONNQARKSA-N 1 0 230.080 2.403 10 0 BEAERO [NH3+][C@H]1CCc2nc(C(F)(F)F)ccc21 ZINC000095642490 181654950 /nfs/dbraw/zinc/65/49/50/181654950.db2.gz GZPFSASNOVRBBH-LURJTMIESA-N 1 0 202.179 2.046 10 0 BEAERO [NH3+][C@H](c1ccc2c(c1)OCCCO2)[C@@H]1CCCO1 ZINC000019968000 181632438 /nfs/dbraw/zinc/63/24/38/181632438.db2.gz NYEHCZYXESFXLK-GXTWGEPZSA-N 1 0 249.310 2.027 10 0 BEAERO [NH3+][C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000070460110 181645438 /nfs/dbraw/zinc/64/54/38/181645438.db2.gz FXJHEPSVKMCFDN-LBPRGKRZSA-N 1 0 242.326 2.004 10 0 BEAERO [NH3+][C@H]1CCOC[C@@H]1Cc1cccc(Cl)c1 ZINC000082360271 181653037 /nfs/dbraw/zinc/65/30/37/181653037.db2.gz IGUBAGLVAOHGHI-JQWIXIFHSA-N 1 0 225.719 2.246 10 0 BEAERO Nc1c(Br)scc1[C@H]1CC[NH2+]C1 ZINC000096964217 181670590 /nfs/dbraw/zinc/67/05/90/181670590.db2.gz NIAFSKQGSIDZAJ-YFKPBYRVSA-N 1 0 247.161 2.170 10 0 BEAERO [NH3+][C@H]1Cc2[nH]c3cc(Cl)ccc3c2C1 ZINC000082378400 181660445 /nfs/dbraw/zinc/66/04/45/181660445.db2.gz JMQDWOHPQHPAAT-SSDOTTSWSA-N 1 0 206.676 2.247 10 0 BEAERO [NH3+][C@]12CC=CC[C@@H]1CCc1ccc(O)cc12 ZINC000026150117 181662776 /nfs/dbraw/zinc/66/27/76/181662776.db2.gz RCQVOQLTSIQULP-BXUZGUMPSA-N 1 0 215.296 2.459 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(C)c1 ZINC000624239154 371428270 /nfs/dbraw/zinc/42/82/70/371428270.db2.gz FLLJDSPUZPGFGL-SOUVJXGZSA-N 1 0 249.354 2.186 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1c(C)cccc1C ZINC000126526080 371531636 /nfs/dbraw/zinc/53/16/36/371531636.db2.gz DAFSIGBANZHXSM-NSHDSACASA-N 1 0 221.300 2.256 10 0 BEAERO Nc1ccccc1OCC[NH2+]C1CCCC1 ZINC000041234295 181757539 /nfs/dbraw/zinc/75/75/39/181757539.db2.gz ZWCFNNHXUTUQRW-UHFFFAOYSA-N 1 0 220.316 2.180 10 0 BEAERO C[C@@H]1Oc2c(c(Br)ccc2F)[C@@H]1[NH3+] ZINC000126648220 371540965 /nfs/dbraw/zinc/54/09/65/371540965.db2.gz QJQBPIKIGUJIRZ-RNHFCUEFSA-N 1 0 246.079 2.369 10 0 BEAERO Cc1ccoc1C[NH2+]CC[C@@H]1CCCO1 ZINC000126655204 371542800 /nfs/dbraw/zinc/54/28/00/371542800.db2.gz AXNPVDXNMSLQPC-NSHDSACASA-N 1 0 209.289 2.247 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CC[C@H]1c1cncs1 ZINC000161793781 371565799 /nfs/dbraw/zinc/56/57/99/371565799.db2.gz CAXDZBGKRWANRP-ZJUUUORDSA-N 1 0 210.346 2.492 10 0 BEAERO FC(F)(Br)[C@@]1(F)CCC[NH2+]C1 ZINC000225683742 371566196 /nfs/dbraw/zinc/56/61/96/371566196.db2.gz PLBDPJSTPZCEAD-RXMQYKEDSA-N 1 0 232.043 2.066 10 0 BEAERO C[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](O)C1 ZINC000225739570 371573271 /nfs/dbraw/zinc/57/32/71/371573271.db2.gz JNENMJLNQRZDKG-QWHCGFSZSA-N 1 0 205.301 2.032 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]1Cc1ccc(Br)cn1 ZINC000161918885 371580968 /nfs/dbraw/zinc/58/09/68/371580968.db2.gz VXKUYMPVLBNKOH-GMSGAONNSA-N 1 0 241.132 2.124 10 0 BEAERO [NH3+][C@H]1CC[C@H]1Cc1cncc(Br)c1 ZINC000161918085 371581190 /nfs/dbraw/zinc/58/11/90/371581190.db2.gz HGMLLROEXAURPJ-WPRPVWTQSA-N 1 0 241.132 2.124 10 0 BEAERO Clc1csc(N[C@H]2CCC[NH2+]CC2)n1 ZINC000226474130 371672853 /nfs/dbraw/zinc/67/28/53/371672853.db2.gz NAHJWQDSVRFHSR-ZETCQYMHSA-N 1 0 231.752 2.351 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1Oc1nc(Cl)cs1 ZINC000131658953 371642123 /nfs/dbraw/zinc/64/21/23/371642123.db2.gz URKUKFJLTJFQRX-PHDIDXHHSA-N 1 0 218.709 2.055 10 0 BEAERO C1CSC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000131670623 371647584 /nfs/dbraw/zinc/64/75/84/371647584.db2.gz YTVNVZKEMMLDQO-AOOOYVTPSA-N 1 0 217.403 2.367 10 0 BEAERO [NH3+][C@H]1CCC[C@H](C(=O)Cc2ccsc2)C1 ZINC000226336702 371648998 /nfs/dbraw/zinc/64/89/98/371648998.db2.gz FADAJPAMZNKJNS-QWRGUYRKSA-N 1 0 223.341 2.377 10 0 BEAERO Cc1nc(O[C@@H]2CCC[C@H]2[NH3+])sc1C ZINC000131688811 371651843 /nfs/dbraw/zinc/65/18/43/371651843.db2.gz XTGFWEKAYARNIK-RKDXNWHRSA-N 1 0 212.318 2.019 10 0 BEAERO Cc1nc(O[C@H]2CCC[C@H]2[NH3+])sc1C ZINC000131689029 371652002 /nfs/dbraw/zinc/65/20/02/371652002.db2.gz XTGFWEKAYARNIK-BDAKNGLRSA-N 1 0 212.318 2.019 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)C1CCCCCC1 ZINC000226378977 371655917 /nfs/dbraw/zinc/65/59/17/371655917.db2.gz HXAYZRQVLDCBKL-JQWIXIFHSA-N 1 0 209.333 2.381 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)C1CCC(C)CC1 ZINC000226378625 371656110 /nfs/dbraw/zinc/65/61/10/371656110.db2.gz AOVRSHLGHLZNME-ADPBJBESSA-N 1 0 209.333 2.237 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](C(=O)c2cccc(F)c2)C1 ZINC000226602927 371705028 /nfs/dbraw/zinc/70/50/28/371705028.db2.gz KSRUUGJLLYHMPI-MWLCHTKSSA-N 1 0 207.248 2.136 10 0 BEAERO Cc1c(Br)ccc2c1CC[NH2+]C2 ZINC000216201454 371717675 /nfs/dbraw/zinc/71/76/75/371717675.db2.gz PXKOTIPOXNSLKM-UHFFFAOYSA-N 1 0 226.117 2.403 10 0 BEAERO C[C@H]1CC(C(=O)CC2C[NH2+]C2)C[C@H](C)C1 ZINC000226518075 371686909 /nfs/dbraw/zinc/68/69/09/371686909.db2.gz HWGVRVAUZNHFKH-NXEZZACHSA-N 1 0 209.333 2.237 10 0 BEAERO C[C@@H]1CC(C(=O)CC2C[NH2+]C2)C[C@@H](C)C1 ZINC000226518087 371686931 /nfs/dbraw/zinc/68/69/31/371686931.db2.gz HWGVRVAUZNHFKH-UWVGGRQHSA-N 1 0 209.333 2.237 10 0 BEAERO C[C@@H]1OCC[C@H]1[C@@H]([NH3+])Cc1ccsc1 ZINC000226514664 371686958 /nfs/dbraw/zinc/68/69/58/371686958.db2.gz FLMYCVNNBVEKDM-GDPRMGEGSA-N 1 0 211.330 2.043 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000216128956 371702104 /nfs/dbraw/zinc/70/21/04/371702104.db2.gz AFHZOGSYMSTZRH-TZGMSPROSA-N 1 0 201.697 2.040 10 0 BEAERO C[C@@H]1C[C@@]2(CS1)[NH2+]CC[C@@H](C)S2 ZINC000226587973 371702341 /nfs/dbraw/zinc/70/23/41/371702341.db2.gz MHVFYYARFOZKRK-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO [NH3+]C1(C(=O)Cc2cccc(Cl)c2)CCC1 ZINC000226779777 371743105 /nfs/dbraw/zinc/74/31/05/371743105.db2.gz XKRCODVKCAFJFY-UHFFFAOYSA-N 1 0 223.703 2.333 10 0 BEAERO [NH3+]CC1(C(=O)c2ccc(F)cc2)CCC1 ZINC000226790977 371744521 /nfs/dbraw/zinc/74/45/21/371744521.db2.gz ZHKRRJVIEIEIHR-UHFFFAOYSA-N 1 0 207.248 2.137 10 0 BEAERO c1ccc(S[C@@H]2CCCC[NH2+]C2)nc1 ZINC000132134170 371757898 /nfs/dbraw/zinc/75/78/98/371757898.db2.gz IHBZQLIQXZDDPA-SNVBAGLBSA-N 1 0 208.330 2.316 10 0 BEAERO c1cc(S[C@@H]2CCCC[NH2+]C2)ccn1 ZINC000132183204 371761521 /nfs/dbraw/zinc/76/15/21/371761521.db2.gz YGVWCSBLKZKOKB-LLVKDONJSA-N 1 0 208.330 2.316 10 0 BEAERO [NH3+]CCN[C@H]1CCCc2sc(Cl)cc21 ZINC000132276766 371783561 /nfs/dbraw/zinc/78/35/61/371783561.db2.gz FIUDPGLCOSRHJK-QMMMGPOBSA-N 1 0 230.764 2.327 10 0 BEAERO O=C1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCF ZINC000227321526 371832915 /nfs/dbraw/zinc/83/29/15/371832915.db2.gz KFPPBSBDMVQADF-MNOVXSKESA-N 1 0 213.296 2.180 10 0 BEAERO c1cc(N2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000227425967 371863076 /nfs/dbraw/zinc/86/30/76/371863076.db2.gz NAZKDHOHYOKXFL-JTQLQIEISA-N 1 0 208.330 2.033 10 0 BEAERO C[C@@H]1SCC[N@H+](CC(=O)C(C)(C)C)[C@H]1C ZINC000132579544 371864515 /nfs/dbraw/zinc/86/45/15/371864515.db2.gz LFIWGJYQUSBQSK-UWVGGRQHSA-N 1 0 229.389 2.427 10 0 BEAERO C[C@@H]1SCC[N@@H+]([C@@H]2CCCCC2=O)[C@H]1C ZINC000132576230 371864802 /nfs/dbraw/zinc/86/48/02/371864802.db2.gz LLLIYYDNPXRMSY-GARJFASQSA-N 1 0 227.373 2.324 10 0 BEAERO C[C@@]1(OCc2cccs2)CCC[NH2+]C1 ZINC000230200703 371869191 /nfs/dbraw/zinc/86/91/91/371869191.db2.gz OKMBQQFYWDMZDW-LLVKDONJSA-N 1 0 211.330 2.407 10 0 BEAERO C[C@]1(OCc2cccs2)CCC[NH2+]C1 ZINC000230200705 371869502 /nfs/dbraw/zinc/86/95/02/371869502.db2.gz OKMBQQFYWDMZDW-NSHDSACASA-N 1 0 211.330 2.407 10 0 BEAERO C[C@]1(OCc2ccccc2)CCC[NH2+]C1 ZINC000230199435 371869603 /nfs/dbraw/zinc/86/96/03/371869603.db2.gz IDBUDTCORHXDDF-ZDUSSCGKSA-N 1 0 205.301 2.345 10 0 BEAERO C[C@H](CO)S[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000162895808 371878503 /nfs/dbraw/zinc/87/85/03/371878503.db2.gz BFKJIOJDRGYTRZ-UTLUCORTSA-N 1 0 217.378 2.006 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000627727947 371916629 /nfs/dbraw/zinc/91/66/29/371916629.db2.gz WSFOLERYKYPYNH-NEPJUHHUSA-N 1 0 248.370 2.424 10 0 BEAERO CCc1nc(-c2cscn2)sc1C[NH3+] ZINC000163338808 371976435 /nfs/dbraw/zinc/97/64/35/371976435.db2.gz HHWZQNZPTFZUTF-UHFFFAOYSA-N 1 0 225.342 2.288 10 0 BEAERO O=C1CCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000228043427 371980977 /nfs/dbraw/zinc/98/09/77/371980977.db2.gz MICSIFOWSHRJRA-GRYCIOLGSA-N 1 0 207.317 2.088 10 0 BEAERO Cc1sccc1C(=O)[C@H]1CCCC[NH2+]1 ZINC000227878516 371951304 /nfs/dbraw/zinc/95/13/04/371951304.db2.gz DKBQWOVOKUNXFO-SNVBAGLBSA-N 1 0 209.314 2.381 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])c1ncccc1Br ZINC000133346743 372028282 /nfs/dbraw/zinc/02/82/82/372028282.db2.gz DBOVGACUNPMBNY-RCOVLWMOSA-N 1 0 227.105 2.038 10 0 BEAERO O=C(Cn1ccnc1)C1CCCCCC1 ZINC000306625944 372046770 /nfs/dbraw/zinc/04/67/70/372046770.db2.gz HKZSJFQRQYAFIW-UHFFFAOYSA-N 1 0 206.289 2.423 10 0 BEAERO [NH3+][C@H](c1cscn1)[C@@H]1CCCS1 ZINC000306279257 372006420 /nfs/dbraw/zinc/00/64/20/372006420.db2.gz RSYYLUQEFBDRGP-JGVFFNPUSA-N 1 0 200.332 2.039 10 0 BEAERO [NH3+][C@H](c1cscn1)[C@H]1CCCS1 ZINC000306279256 372006434 /nfs/dbraw/zinc/00/64/34/372006434.db2.gz RSYYLUQEFBDRGP-HTQZYQBOSA-N 1 0 200.332 2.039 10 0 BEAERO C[C@@H](C[NH3+])C(=O)c1c(F)cccc1Cl ZINC000307319447 372110115 /nfs/dbraw/zinc/11/01/15/372110115.db2.gz NOZGYYRKJONKLS-LURJTMIESA-N 1 0 215.655 2.257 10 0 BEAERO C[C@H]([NH3+])c1nc(-c2cncs2)cs1 ZINC000229138946 372122023 /nfs/dbraw/zinc/12/20/23/372122023.db2.gz RUHDJZTYDFEFQM-YFKPBYRVSA-N 1 0 211.315 2.286 10 0 BEAERO [NH3+][C@H](c1nscc1Br)C1CC1 ZINC000404804736 372117432 /nfs/dbraw/zinc/11/74/32/372117432.db2.gz MOZFGMFTWZLUNC-LURJTMIESA-N 1 0 233.134 2.315 10 0 BEAERO C[C@](O)(C[NH3+])Cc1cccc(Cl)c1Cl ZINC000228841353 372085535 /nfs/dbraw/zinc/08/55/35/372085535.db2.gz APFXNEIFRMLGAK-SNVBAGLBSA-N 1 0 234.126 2.246 10 0 BEAERO [NH3+]C[C@@H](O)c1cc(F)c(Cl)cc1Cl ZINC000133844120 372122587 /nfs/dbraw/zinc/12/25/87/372122587.db2.gz FMNBIOSAEXOTRS-MRVPVSSYSA-N 1 0 224.062 2.125 10 0 BEAERO C[C@@H]1CCSC(NCCC(F)F)=[NH+]1 ZINC000307220834 372096751 /nfs/dbraw/zinc/09/67/51/372096751.db2.gz PFMLNDVQZSIJNJ-ZCFIWIBFSA-N 1 0 208.277 2.113 10 0 BEAERO C[C@H]1CCSC(NCCC(F)F)=[NH+]1 ZINC000307220831 372098651 /nfs/dbraw/zinc/09/86/51/372098651.db2.gz PFMLNDVQZSIJNJ-LURJTMIESA-N 1 0 208.277 2.113 10 0 BEAERO Cc1cc([C@@H](O)[C@@H]([NH3+])C(C)C)ccc1F ZINC000032012536 372134790 /nfs/dbraw/zinc/13/47/90/372134790.db2.gz XLMPKKVOKXJZDT-NWDGAFQWSA-N 1 0 211.280 2.151 10 0 BEAERO CC1(C)[C@H]([NH3+])C[C@@]1(F)c1ccns1 ZINC000405299013 372151971 /nfs/dbraw/zinc/15/19/71/372151971.db2.gz QYUGICMLJHMYDA-HZGVNTEJSA-N 1 0 200.282 2.065 10 0 BEAERO [NH3+][C@@H](c1cnsc1)[C@@H]1CCCS1 ZINC000405010337 372129741 /nfs/dbraw/zinc/12/97/41/372129741.db2.gz OEYKLQBCWHFRRW-YUMQZZPRSA-N 1 0 200.332 2.039 10 0 BEAERO O=C(C[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000041612159 181975792 /nfs/dbraw/zinc/97/57/92/181975792.db2.gz QYHDHLWATJQQLQ-UHFFFAOYSA-N 1 0 209.676 2.275 10 0 BEAERO O=C(C[NH2+]CC1CCC1)NC1CCCCCC1 ZINC000053341127 181977668 /nfs/dbraw/zinc/97/76/68/181977668.db2.gz XHVKCFQWJZQJBB-UHFFFAOYSA-N 1 0 238.375 2.215 10 0 BEAERO O=C(C[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000038221154 182020585 /nfs/dbraw/zinc/02/05/85/182020585.db2.gz ICNPOTSVAWPXRY-VIFPVBQESA-N 1 0 207.248 2.008 10 0 BEAERO O=C(Cc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000041243571 182045183 /nfs/dbraw/zinc/04/51/83/182045183.db2.gz SPCHEVNHMSKKKE-NSHDSACASA-N 1 0 223.703 2.204 10 0 BEAERO C[C@H]1[C@@H]([NH3+])CCN1c1nccc2ccccc21 ZINC000379755836 373055851 /nfs/dbraw/zinc/05/58/51/373055851.db2.gz VGRFFBCHUZOWDQ-GWCFXTLKSA-N 1 0 227.311 2.161 10 0 BEAERO Cc1ncn(-c2cccc(C=O)c2)c1C ZINC000068983557 373101523 /nfs/dbraw/zinc/10/15/23/373101523.db2.gz XELKKRSUVNQMPF-UHFFFAOYSA-N 1 0 200.241 2.302 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2nccs2)C1 ZINC000040503248 373364588 /nfs/dbraw/zinc/36/45/88/373364588.db2.gz XHQFQXQOGQGGRK-SECBINFHSA-N 1 0 211.334 2.039 10 0 BEAERO CCOc1ccccc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000040671690 373588554 /nfs/dbraw/zinc/58/85/54/373588554.db2.gz XIVDXBMBBYYPIV-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO C[NH2+]Cc1ccc(OC)cc1Br ZINC000069803543 373822179 /nfs/dbraw/zinc/82/21/79/373822179.db2.gz NFELYKFGGNPFET-UHFFFAOYSA-N 1 0 230.105 2.177 10 0 BEAERO C[C@@](O)(c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000069842929 373874790 /nfs/dbraw/zinc/87/47/90/373874790.db2.gz KVANKSDSTAZDDZ-KOLCDFICSA-N 1 0 211.330 2.098 10 0 BEAERO CC[C@@H](C)Oc1ccccc1CN1CC[NH2+]CC1 ZINC000041166517 374117031 /nfs/dbraw/zinc/11/70/31/374117031.db2.gz PROIEJRETOLLFP-CYBMUJFWSA-N 1 0 248.370 2.269 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CCCCC[C@@H]1C ZINC000069944915 374090584 /nfs/dbraw/zinc/09/05/84/374090584.db2.gz SYKTTWHMVXGPFQ-VHSXEESVSA-N 1 0 214.378 2.316 10 0 BEAERO C[C@@H]([NH3+])c1csc(N2CC[C@@H](C)C2)n1 ZINC000070845778 374204455 /nfs/dbraw/zinc/20/44/55/374204455.db2.gz BGXWEWPXKDWAIS-HTQZYQBOSA-N 1 0 211.334 2.009 10 0 BEAERO CCCCNC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339513829 168858372 /nfs/dbraw/zinc/85/83/72/168858372.db2.gz VXJZHQHMZMUHLA-NSHDSACASA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H](C[NH3+])N1CCc2sccc2[C@@H]1C ZINC000042744045 374285942 /nfs/dbraw/zinc/28/59/42/374285942.db2.gz IWBFHRBBYDXTBC-IUCAKERBSA-N 1 0 210.346 2.014 10 0 BEAERO CCN1C[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H](C)C1 ZINC000309955238 170034960 /nfs/dbraw/zinc/03/49/60/170034960.db2.gz IANZHFOYQPBCCB-RWMBFGLXSA-N 1 0 242.432 2.202 10 0 BEAERO CC[NH2+][C@@H](C)CN(C)Cc1ccccc1F ZINC000044472199 170138751 /nfs/dbraw/zinc/13/87/51/170138751.db2.gz HHCPTAHAYYWUQQ-NSHDSACASA-N 1 0 224.323 2.256 10 0 BEAERO c1cncc(O[C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC000178999206 134313965 /nfs/dbraw/zinc/31/39/65/134313965.db2.gz TXAGYMDFWAWOHX-ZDUSSCGKSA-N 1 0 218.300 2.087 10 0 BEAERO OC1(Cc2cccc(F)c2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000104111288 183022259 /nfs/dbraw/zinc/02/22/59/183022259.db2.gz QORBOVJBHDSFHS-PBWFPOADSA-N 1 0 235.302 2.014 10 0 BEAERO OCCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308912560 183047562 /nfs/dbraw/zinc/04/75/62/183047562.db2.gz YJMZXPKISYGZBF-VXGBXAGGSA-N 1 0 217.328 2.267 10 0 BEAERO OCCC[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127606862 183054557 /nfs/dbraw/zinc/05/45/57/183054557.db2.gz XXUIHPLTDJHNPJ-UHFFFAOYSA-N 1 0 235.302 2.297 10 0 BEAERO OCCC[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083366519 183059091 /nfs/dbraw/zinc/05/90/91/183059091.db2.gz AXYKQGCKQKDHMX-UHFFFAOYSA-N 1 0 238.718 2.293 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000107980858 183095346 /nfs/dbraw/zinc/09/53/46/183095346.db2.gz YQUPUBCLSHWYSO-LBPRGKRZSA-N 1 0 223.291 2.030 10 0 BEAERO OC[C@@H]1CCCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000367738740 183116001 /nfs/dbraw/zinc/11/60/01/183116001.db2.gz UPPHTDDIEGWAMM-HIFRSBDPSA-N 1 0 245.366 2.421 10 0 BEAERO OC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC1(F)F ZINC000336144746 183116179 /nfs/dbraw/zinc/11/61/79/183116179.db2.gz RBULPSHFVIYHQQ-MNOVXSKESA-N 1 0 233.302 2.269 10 0 BEAERO OC[C@@H]1CCCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000367738741 183116645 /nfs/dbraw/zinc/11/66/45/183116645.db2.gz UPPHTDDIEGWAMM-UKRRQHHQSA-N 1 0 245.366 2.421 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000164262692 183117647 /nfs/dbraw/zinc/11/76/47/183117647.db2.gz IXRQEHVXCWURIJ-CMPLNLGQSA-N 1 0 225.357 2.389 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819604 169006174 /nfs/dbraw/zinc/00/61/74/169006174.db2.gz ODUOLRFETOJUTM-AAEUAGOBSA-N 1 0 249.358 2.196 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)Nc1c(F)cccc1F ZINC000037619376 169007659 /nfs/dbraw/zinc/00/76/59/169007659.db2.gz DVWBFJVGFDGOHV-JTQLQIEISA-N 1 0 242.269 2.421 10 0 BEAERO CCCC[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892080 169008683 /nfs/dbraw/zinc/00/86/83/169008683.db2.gz WKYFNJLSMLWEGS-VIFPVBQESA-N 1 0 220.272 2.311 10 0 BEAERO CCCC[C@H]([NH3+])CN(C)CCc1ccccn1 ZINC000037620740 169009036 /nfs/dbraw/zinc/00/90/36/169009036.db2.gz JFCWWQVCPDPDCF-ZDUSSCGKSA-N 1 0 235.375 2.073 10 0 BEAERO OCC[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000353702614 183099326 /nfs/dbraw/zinc/09/93/26/183099326.db2.gz JOSZEHOOJRIJEL-QWHCGFSZSA-N 1 0 209.333 2.047 10 0 BEAERO OC[C@@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)c1ccccc1 ZINC000071140029 183109451 /nfs/dbraw/zinc/10/94/51/183109451.db2.gz MFFYKLHONLXSMR-LXTVHRRPSA-N 1 0 229.323 2.274 10 0 BEAERO CCCCc1ccc([C@H](CO)[NH2+]C)cc1 ZINC000071510675 169022883 /nfs/dbraw/zinc/02/28/83/169022883.db2.gz ZHTTUKMTIPQXMG-ZDUSSCGKSA-N 1 0 207.317 2.282 10 0 BEAERO CCCCc1ccc([C@H]([NH3+])CCC(N)=O)cc1 ZINC000037636249 169023418 /nfs/dbraw/zinc/02/34/18/169023418.db2.gz ZUBUCRWXHLZVRP-CYBMUJFWSA-N 1 0 234.343 2.295 10 0 BEAERO CCCCc1ccc([C@H]([NH3+])CCO)cc1 ZINC000044232911 169023616 /nfs/dbraw/zinc/02/36/16/169023616.db2.gz LXGSYCCVOOOFTB-CYBMUJFWSA-N 1 0 207.317 2.411 10 0 BEAERO CCCCc1nc(Cl)c(C[NH2+]C)[nH]1 ZINC000083343707 169025356 /nfs/dbraw/zinc/02/53/56/169025356.db2.gz BZQHCOUWZLZILI-UHFFFAOYSA-N 1 0 201.701 2.125 10 0 BEAERO OC[C@H]1CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000377244097 183146405 /nfs/dbraw/zinc/14/64/05/183146405.db2.gz WIRUSMLYEUAGDH-KBPBESRZSA-N 1 0 223.360 2.437 10 0 BEAERO OC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090981427 183148514 /nfs/dbraw/zinc/14/85/14/183148514.db2.gz LCDJWDVRMPBQOG-JSGCOSHPSA-N 1 0 231.339 2.031 10 0 BEAERO OC[C@H]1CCCC[N@@H+]1C[C@H]1CCCC1(F)F ZINC000336144745 183148637 /nfs/dbraw/zinc/14/86/37/183148637.db2.gz RBULPSHFVIYHQQ-GHMZBOCLSA-N 1 0 233.302 2.269 10 0 BEAERO CCCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000055126345 169044965 /nfs/dbraw/zinc/04/49/65/169044965.db2.gz ZSCFFMYEVAWLPU-YNEHKIRRSA-N 1 0 240.391 2.397 10 0 BEAERO CCCN(C(=O)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000037097402 169045038 /nfs/dbraw/zinc/04/50/38/169045038.db2.gz AIWCRLNUJRVRJI-ZDUSSCGKSA-N 1 0 232.327 2.087 10 0 BEAERO CCCN(C(=O)[C@]1(CC)CCC[NH2+]C1)C(C)C ZINC000062853414 169045889 /nfs/dbraw/zinc/04/58/89/169045889.db2.gz VKFQUJXYIHNFLW-CQSZACIVSA-N 1 0 240.391 2.413 10 0 BEAERO OCc1ccc(OCCC[C@H]2CCC[NH2+]2)cc1 ZINC000052765189 183166054 /nfs/dbraw/zinc/16/60/54/183166054.db2.gz MOWSFFFPZBWMKS-CYBMUJFWSA-N 1 0 235.327 2.090 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000037509515 183196903 /nfs/dbraw/zinc/19/69/03/183196903.db2.gz WIWJGYIWKYXNMS-DTWKUNHWSA-N 1 0 229.707 2.326 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000037166281 183196982 /nfs/dbraw/zinc/19/69/82/183196982.db2.gz WWSINUJDIZDUNF-NWDGAFQWSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000038059339 183187685 /nfs/dbraw/zinc/18/76/85/183187685.db2.gz YBLDYYVSHGEOAS-QWHCGFSZSA-N 1 0 223.316 2.105 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccs1 ZINC000077204857 183188035 /nfs/dbraw/zinc/18/80/35/183188035.db2.gz HCVRHONRWFQAOZ-ZYHUDNBSSA-N 1 0 225.357 2.389 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2cccc(F)c2C1 ZINC000270984955 183188787 /nfs/dbraw/zinc/18/87/87/183188787.db2.gz AJBLDZCLBXEJJM-LSDHHAIUSA-N 1 0 249.329 2.487 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000037490880 183189370 /nfs/dbraw/zinc/18/93/70/183189370.db2.gz BZJVCXVEQUFZTB-WDEREUQCSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000037164943 183194075 /nfs/dbraw/zinc/19/40/75/183194075.db2.gz OWCYDCTVYNJWPV-CHWSQXEVSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(F)cccc1F ZINC000089160654 183195148 /nfs/dbraw/zinc/19/51/48/183195148.db2.gz BWMGWHIKGXYFSS-NOZJJQNGSA-N 1 0 241.281 2.215 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000037164806 183195190 /nfs/dbraw/zinc/19/51/90/183195190.db2.gz IBSYYASHXSKATR-NXEZZACHSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCCF)CC2 ZINC000309352384 183217504 /nfs/dbraw/zinc/21/75/04/183217504.db2.gz XSPOFSYJWVZHKT-QWHCGFSZSA-N 1 0 229.339 2.363 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccncc1)CC2 ZINC000019405215 183218031 /nfs/dbraw/zinc/21/80/31/183218031.db2.gz DFQPELNVIXKUCR-LSDHHAIUSA-N 1 0 246.354 2.209 10 0 BEAERO O[C@H](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000041282872 183227458 /nfs/dbraw/zinc/22/74/58/183227458.db2.gz TYUUFWJVVYZKLI-CYBMUJFWSA-N 1 0 239.746 2.243 10 0 BEAERO CCC[N@H+](C)[C@@H]1CNc2ccccc2C1 ZINC000037761105 169085760 /nfs/dbraw/zinc/08/57/60/169085760.db2.gz WDVYYPRCIJIMPD-LBPRGKRZSA-N 1 0 204.317 2.365 10 0 BEAERO O[C@H](c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000036162550 183228765 /nfs/dbraw/zinc/22/87/65/183228765.db2.gz AOQYWLFUWSYACY-JTQLQIEISA-N 1 0 231.748 2.435 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091893219 183231565 /nfs/dbraw/zinc/23/15/65/183231565.db2.gz JXISTLHYOWWFOK-GJZGRUSLSA-N 1 0 249.329 2.487 10 0 BEAERO O[C@@H]1C[NH2+][C@H](c2ccccc2)c2ccccc21 ZINC000082294027 183208746 /nfs/dbraw/zinc/20/87/46/183208746.db2.gz CJDAAEDVKRKQSN-HUUCEWRRSA-N 1 0 225.291 2.413 10 0 BEAERO CCCN([C@H](C)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000053490021 169091826 /nfs/dbraw/zinc/09/18/26/169091826.db2.gz MQJUQSCLRRRUIN-OCCSQVGLSA-N 1 0 240.391 2.018 10 0 BEAERO O[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000037873800 183231899 /nfs/dbraw/zinc/23/18/99/183231899.db2.gz MXPHUMQTJAIUBL-KBPBESRZSA-N 1 0 219.328 2.470 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000037691246 183231906 /nfs/dbraw/zinc/23/19/06/183231906.db2.gz BXEXGTAVLPNZGX-RYUDHWBXSA-N 1 0 225.357 2.184 10 0 BEAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000038059337 183231908 /nfs/dbraw/zinc/23/19/08/183231908.db2.gz YBLDYYVSHGEOAS-STQMWFEESA-N 1 0 223.316 2.105 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]Cc1sccc1Cl ZINC000193116909 183237976 /nfs/dbraw/zinc/23/79/76/183237976.db2.gz YTRPCQMKXCYECN-BDAKNGLRSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@H]1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000041225880 183241412 /nfs/dbraw/zinc/24/14/12/183241412.db2.gz JPIKAVDNAZTEIW-GZMMTYOYSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@]1(c2cccc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000059955547 183251279 /nfs/dbraw/zinc/25/12/79/183251279.db2.gz ZQFAKMZALKUKLP-LLVKDONJSA-N 1 0 245.244 2.276 10 0 BEAERO O[C@]1(c2ccc(Cl)cc2)CCC[NH2+]CC1 ZINC000060015040 183251591 /nfs/dbraw/zinc/25/15/91/183251591.db2.gz GTZNLSKPIPZINF-GFCCVEGCSA-N 1 0 225.719 2.301 10 0 BEAERO O[C@]1(c2cc3ccccc3o2)C[NH+]2CCC1CC2 ZINC000013740302 183252136 /nfs/dbraw/zinc/25/21/36/183252136.db2.gz POFHOXXJFNDMNR-OAHLLOKOSA-N 1 0 243.306 2.346 10 0 BEAERO Oc1c(Br)cccc1[C@@H]1CC[NH2+]C1 ZINC000096877772 183253165 /nfs/dbraw/zinc/25/31/65/183253165.db2.gz YJHHORVVKPTXMJ-SSDOTTSWSA-N 1 0 242.116 2.232 10 0 BEAERO CCC[N@H+](CC)C[C@@H](N)c1ccccc1OC ZINC000037094867 169126313 /nfs/dbraw/zinc/12/63/13/169126313.db2.gz NUFMPILKGZNZEC-CYBMUJFWSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000049181104 183232916 /nfs/dbraw/zinc/23/29/16/183232916.db2.gz UALWAQNNDKYEQM-NEPJUHHUSA-N 1 0 225.357 2.184 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000051996185 183234347 /nfs/dbraw/zinc/23/43/47/183234347.db2.gz WJIGUVDAMRCUKG-OLZOCXBDSA-N 1 0 241.281 2.358 10 0 BEAERO CCCN(CC(F)(F)F)c1cc(C[NH3+])ccn1 ZINC000042736292 169106911 /nfs/dbraw/zinc/10/69/11/169106911.db2.gz UMJOLXRNTBXDGT-UHFFFAOYSA-N 1 0 247.264 2.319 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000037164419 183237258 /nfs/dbraw/zinc/23/72/58/183237258.db2.gz GYAUEKKKNLKMJG-STQMWFEESA-N 1 0 223.291 2.219 10 0 BEAERO CCCN(CCC)c1c(C[NH2+]C)c(C)nn1C ZINC000034823504 169152364 /nfs/dbraw/zinc/15/23/64/169152364.db2.gz REEUXMLURZOXLD-UHFFFAOYSA-N 1 0 238.379 2.074 10 0 BEAERO CCCN(CCC)[C@@H](C[NH3+])c1ccncc1 ZINC000032021422 169150239 /nfs/dbraw/zinc/15/02/39/169150239.db2.gz NTDMTUMWNSQCFW-ZDUSSCGKSA-N 1 0 221.348 2.203 10 0 BEAERO CCC[N@H+](CC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052448328 169130217 /nfs/dbraw/zinc/13/02/17/169130217.db2.gz QEXNFFUXQGZYRC-UHFFFAOYSA-N 1 0 239.363 2.405 10 0 BEAERO Oc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000048261186 183271061 /nfs/dbraw/zinc/27/10/61/183271061.db2.gz PDXVOGBSWUIXPV-UHFFFAOYSA-N 1 0 228.295 2.120 10 0 BEAERO CCC[N@@H+](CCC(=O)C(C)(C)C)CCN(C)C ZINC000054026652 169138595 /nfs/dbraw/zinc/13/85/95/169138595.db2.gz VYCFVTRZZQFINE-UHFFFAOYSA-N 1 0 242.407 2.265 10 0 BEAERO Oc1ccc2c(c1)CC[NH2+][C@H]2c1ccncc1 ZINC000033914242 183279996 /nfs/dbraw/zinc/27/99/96/183279996.db2.gz BUDRBFIGEXCTEJ-AWEZNQCLSA-N 1 0 226.279 2.022 10 0 BEAERO Oc1ccc2c(c1)CC[NH2+][C@H]2c1cccnc1 ZINC000035086932 183280633 /nfs/dbraw/zinc/28/06/33/183280633.db2.gz ZOFDCRNANURLMT-AWEZNQCLSA-N 1 0 226.279 2.022 10 0 BEAERO Oc1cc(Cl)c(NC2=[NH+]CCN2)c(Cl)c1 ZINC000006091208 183256910 /nfs/dbraw/zinc/25/69/10/183256910.db2.gz NTWBRPXHGAXREI-UHFFFAOYSA-N 1 0 246.097 2.070 10 0 world BEAERO Oc1cc(Br)ccc1[C@H]1CC[NH2+]C1 ZINC000096877769 183256914 /nfs/dbraw/zinc/25/69/14/183256914.db2.gz UHSIWKWQLHEJAQ-ZETCQYMHSA-N 1 0 242.116 2.232 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055124810 169144878 /nfs/dbraw/zinc/14/48/78/169144878.db2.gz KLXYBAVLFRGXFG-AVGNSLFASA-N 1 0 240.391 2.399 10 0 BEAERO Oc1cccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000096879772 183287377 /nfs/dbraw/zinc/28/73/77/183287377.db2.gz FSJSYJHJENQRKL-NSHDSACASA-N 1 0 245.282 2.257 10 0 BEAERO CCCN(CC[NH3+])C(=O)CCc1ccc(C)cc1 ZINC000052945725 169157522 /nfs/dbraw/zinc/15/75/22/169157522.db2.gz LCOFSHQNCIJPIV-UHFFFAOYSA-N 1 0 248.370 2.125 10 0 BEAERO CCCN(Cc1ccccc1)C(=O)CC[NH2+]CC ZINC000061289644 169177357 /nfs/dbraw/zinc/17/73/57/169177357.db2.gz ZLSZZHGVMGFXQS-UHFFFAOYSA-N 1 0 248.370 2.425 10 0 BEAERO Oc1cccc([C@@H]2CN(CC3CC3)CCO2)c1 ZINC000126875666 183294289 /nfs/dbraw/zinc/29/42/89/183294289.db2.gz GBISKGHYNYULSJ-AWEZNQCLSA-N 1 0 233.311 2.176 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCOC1 ZINC000037738629 183297167 /nfs/dbraw/zinc/29/71/67/183297167.db2.gz PXCJTILZYFTYDM-GXFFZTMASA-N 1 0 233.311 2.006 10 0 BEAERO CCCN(c1ncccc1C)[C@H]1CCC[NH2+]C1 ZINC000104342218 169183321 /nfs/dbraw/zinc/18/33/21/169183321.db2.gz IOXUZGKMIJLTQK-ZDUSSCGKSA-N 1 0 233.359 2.358 10 0 BEAERO CCC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876427 169186304 /nfs/dbraw/zinc/18/63/04/169186304.db2.gz YGWVRFTWHLYUJQ-UHFFFAOYSA-N 1 0 221.348 2.085 10 0 BEAERO c1c([C@@H]2CCCC[NH2+]2)nc2n1CCCC2 ZINC000082931200 183321305 /nfs/dbraw/zinc/32/13/05/183321305.db2.gz ZBMDMBRTQUAAIA-JTQLQIEISA-N 1 0 205.305 2.034 10 0 BEAERO CCC[N@@H+]1CCC[C@H](c2csc(N)n2)C1 ZINC000026937349 169198904 /nfs/dbraw/zinc/19/89/04/169198904.db2.gz GOVJAWLZFVFXRD-VIFPVBQESA-N 1 0 225.361 2.315 10 0 BEAERO CCCN(Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000082500415 169178979 /nfs/dbraw/zinc/17/89/79/169178979.db2.gz STMYMMKOPRAAJP-GFCCVEGCSA-N 1 0 222.332 2.244 10 0 BEAERO c1cc(C[NH2+]Cc2cccc3cnccc32)n[nH]1 ZINC000061125462 183352658 /nfs/dbraw/zinc/35/26/58/183352658.db2.gz RKRMMZVWVORFKX-UHFFFAOYSA-N 1 0 238.294 2.248 10 0 BEAERO c1cc(NCC[NH+]2CCCCC2)nc(C2CC2)n1 ZINC000110206998 183357113 /nfs/dbraw/zinc/35/71/13/183357113.db2.gz ZNHUALOOZRZPJW-UHFFFAOYSA-N 1 0 246.358 2.252 10 0 BEAERO c1cc(NCc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000061674968 183357518 /nfs/dbraw/zinc/35/75/18/183357518.db2.gz XWLPOUPEUVAEKU-UHFFFAOYSA-N 1 0 228.251 2.422 10 0 BEAERO CCC[NH2+]CC(=O)c1ccc(C)cc1C ZINC000041612565 169255188 /nfs/dbraw/zinc/25/51/88/169255188.db2.gz OUKRXCKWRPHFFP-UHFFFAOYSA-N 1 0 205.301 2.486 10 0 BEAERO CCC[NH2+]CC(=O)c1ccc(OCC)cc1 ZINC000041613121 169255224 /nfs/dbraw/zinc/25/52/24/169255224.db2.gz PZVVFWAPYPFSPT-UHFFFAOYSA-N 1 0 221.300 2.268 10 0 BEAERO CCC[NH2+]CC(=O)c1ccc(C)c(C)c1 ZINC000041611710 169256094 /nfs/dbraw/zinc/25/60/94/169256094.db2.gz XTYKSESABVEPKW-UHFFFAOYSA-N 1 0 205.301 2.486 10 0 BEAERO CCC[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000020525446 169256666 /nfs/dbraw/zinc/25/66/66/169256666.db2.gz MKJOBTUBFMOGRY-UHFFFAOYSA-N 1 0 237.299 2.184 10 0 BEAERO c1cc(CC[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000057500169 183367402 /nfs/dbraw/zinc/36/74/02/183367402.db2.gz HIEUDYKTRWOVLW-LLVKDONJSA-N 1 0 219.284 2.100 10 0 BEAERO CCC[NH2+]CCc1ccc(NC(C)=O)cc1 ZINC000071443881 169261131 /nfs/dbraw/zinc/26/11/31/169261131.db2.gz GMVODZWRFMCUIZ-UHFFFAOYSA-N 1 0 220.316 2.187 10 0 BEAERO c1cc2c(cc1[C@@H]1CCC[NH2+]C1)OCCCO2 ZINC000057522275 183370394 /nfs/dbraw/zinc/37/03/94/183370394.db2.gz PYQHSLHVOUIAMX-GFCCVEGCSA-N 1 0 233.311 2.315 10 0 BEAERO CCC[NH2+]C[C@@H](O)CO[C@H]1CCCC[C@@H]1CC ZINC000036948950 169262326 /nfs/dbraw/zinc/26/23/26/169262326.db2.gz KSDDUNYKTRCMMO-MJBXVCDLSA-N 1 0 243.391 2.332 10 0 BEAERO c1nnc([C@H]2CCCCC[NH2+]2)n1-c1ccccc1 ZINC000075868860 183385971 /nfs/dbraw/zinc/38/59/71/183385971.db2.gz LRSQGKGJPLWJQB-CYBMUJFWSA-N 1 0 242.326 2.472 10 0 BEAERO c1cc2c3c(c1)C[NH2+]CCN3[C@H]1CCC[C@@H]21 ZINC000034279011 183373789 /nfs/dbraw/zinc/37/37/89/183373789.db2.gz XOSKJKGKWRIMGV-AAEUAGOBSA-N 1 0 214.312 2.246 10 0 BEAERO c1cc2cc(C3CC[NH2+]CC3)ncc2[nH]1 ZINC000074211626 183374780 /nfs/dbraw/zinc/37/47/80/183374780.db2.gz CRMDROYPTWEVRG-UHFFFAOYSA-N 1 0 201.273 2.030 10 0 BEAERO c1cc2cc([C@H]3CCC[NH2+]C3)ncc2[nH]1 ZINC000074211603 183374993 /nfs/dbraw/zinc/37/49/93/183374993.db2.gz ULSTWQSNBNXASK-JTQLQIEISA-N 1 0 201.273 2.030 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1cc(C)c(C)cc1OC ZINC000049828920 169262700 /nfs/dbraw/zinc/26/27/00/169262700.db2.gz XBGAGSQYFXUJCC-CYBMUJFWSA-N 1 0 237.343 2.345 10 0 BEAERO c1ccc(-c2nccc(C[NH2+]C3CC3)n2)cc1 ZINC000045206107 183383585 /nfs/dbraw/zinc/38/35/85/183383585.db2.gz QACIEPADRVPRNB-UHFFFAOYSA-N 1 0 225.295 2.396 10 0 BEAERO c1nc2c(nccc2[C@@H]2CCC[NH2+]C2)s1 ZINC000074078675 183362466 /nfs/dbraw/zinc/36/24/66/183362466.db2.gz JHEPNNQBRZQERR-MRVPVSSYSA-N 1 0 219.313 2.158 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@H]2c1ccncc1 ZINC000066054610 183362496 /nfs/dbraw/zinc/36/24/96/183362496.db2.gz RMRXFOSAHNDPSB-LBPRGKRZSA-N 1 0 216.309 2.378 10 0 BEAERO CCCN[C@@]1(C(=O)OC)CCCc2ccccc21 ZINC000037513343 169284270 /nfs/dbraw/zinc/28/42/70/169284270.db2.gz FBEULDYCCPRSOZ-HNNXBMFYSA-N 1 0 247.338 2.391 10 0 BEAERO CCC[NH2+][C@@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000037870078 169284482 /nfs/dbraw/zinc/28/44/82/169284482.db2.gz PYBHMVOUYBJXLG-MFKMUULPSA-N 1 0 226.364 2.056 10 0 BEAERO CCC[NH2+][C@H](C)c1cc(F)ccc1-n1cncn1 ZINC000034665252 169287422 /nfs/dbraw/zinc/28/74/22/169287422.db2.gz HPFNDWLKIQEJEO-SNVBAGLBSA-N 1 0 248.305 2.467 10 0 BEAERO CCC[NH2+][C@H](C)c1cnc(N2CCCC2)nc1C ZINC000054963097 169288301 /nfs/dbraw/zinc/28/83/01/169288301.db2.gz BEMBITYQPDADEU-LLVKDONJSA-N 1 0 248.374 2.446 10 0 BEAERO CCC[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000035229497 169288384 /nfs/dbraw/zinc/28/83/84/169288384.db2.gz WUWQKBDQRGLKSY-SNVBAGLBSA-N 1 0 222.336 2.065 10 0 BEAERO CCC[NH2+][C@H](CN1C[C@H](C)CC1=O)C(C)(C)C ZINC000062816588 169288950 /nfs/dbraw/zinc/28/89/50/169288950.db2.gz NSQIOPOHZOLTBF-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO CCC[NH2+][C@H](COC)Cc1cccc(OC)c1 ZINC000060697695 169289279 /nfs/dbraw/zinc/28/92/79/169289279.db2.gz VWPSXLLPKNBFQI-ZDUSSCGKSA-N 1 0 237.343 2.252 10 0 BEAERO c1n[nH]cc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000038006182 183390313 /nfs/dbraw/zinc/39/03/13/183390313.db2.gz SEABYFXTZIZMPP-UHFFFAOYSA-N 1 0 227.311 2.446 10 0 BEAERO CCC[NH2+]C[C@H](CC)N(C)CCc1ccccn1 ZINC000052423778 169263573 /nfs/dbraw/zinc/26/35/73/169263573.db2.gz WIYOHUCRQRFATC-HNNXBMFYSA-N 1 0 249.402 2.334 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc(C)c(C)c1 ZINC000049814005 169264538 /nfs/dbraw/zinc/26/45/38/169264538.db2.gz QRBPWOYHTVXDGR-ZDUSSCGKSA-N 1 0 207.317 2.336 10 0 BEAERO CCC[NH2+]Cc1ccnc(-n2ccnc2C)c1 ZINC000051490988 169268462 /nfs/dbraw/zinc/26/84/62/169268462.db2.gz RASDLDTWLOZNDI-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO CCC[NH2+]Cc1nnc(-c2ccccc2F)o1 ZINC000050615692 169269000 /nfs/dbraw/zinc/26/90/00/169269000.db2.gz RBTQYNHXZCGRQX-UHFFFAOYSA-N 1 0 235.262 2.375 10 0 BEAERO c1ccc(CN2CCCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000076677771 183396293 /nfs/dbraw/zinc/39/62/93/183396293.db2.gz MVQSUYJXDXHSTL-CABCVRRESA-N 1 0 230.355 2.403 10 0 BEAERO CCC[NH2+]Cc1nnc(-c2ccc(C)nc2C)o1 ZINC000055331754 169269842 /nfs/dbraw/zinc/26/98/42/169269842.db2.gz OYCSLRDZMGKCIH-UHFFFAOYSA-N 1 0 246.314 2.248 10 0 BEAERO c1ccc(CN2CCC[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000076677930 183398698 /nfs/dbraw/zinc/39/86/98/183398698.db2.gz DOPZYHRIMKUAGC-CABCVRRESA-N 1 0 230.355 2.261 10 0 BEAERO c1ccc(CN2CCC[C@@H]3CC[NH2+]C[C@H]32)cc1 ZINC000082353714 183398946 /nfs/dbraw/zinc/39/89/46/183398946.db2.gz DOPZYHRIMKUAGC-HUUCEWRRSA-N 1 0 230.355 2.261 10 0 BEAERO CCC[NH2+][C@@H](C)Cc1cn2ccsc2n1 ZINC000076788175 169274581 /nfs/dbraw/zinc/27/45/81/169274581.db2.gz MMYVHGZVZYXONL-VIFPVBQESA-N 1 0 223.345 2.326 10 0 BEAERO CCC[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000019482387 169276003 /nfs/dbraw/zinc/27/60/03/169276003.db2.gz ISKQFNJPFXSYHU-VIFPVBQESA-N 1 0 209.289 2.461 10 0 BEAERO CCC[NH2+][C@@H](C)c1csc(NC(C)=O)n1 ZINC000076784994 169276677 /nfs/dbraw/zinc/27/66/77/169276677.db2.gz YXYKXZBVLNGRLG-ZETCQYMHSA-N 1 0 227.333 2.162 10 0 BEAERO CCC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000035581407 169280826 /nfs/dbraw/zinc/28/08/26/169280826.db2.gz CYDREDNRNPTIRI-CYBMUJFWSA-N 1 0 245.326 2.307 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccc(C)cc2C)C1=O ZINC000049647791 169282753 /nfs/dbraw/zinc/28/27/53/169282753.db2.gz OCNQIJHNAVFKEL-CYBMUJFWSA-N 1 0 246.354 2.408 10 0 BEAERO CCC[NH2+][C@@H]1CCc2ccc(OC)cc2[C@H]1O ZINC000034194697 169282951 /nfs/dbraw/zinc/28/29/51/169282951.db2.gz DEKFVABYOMDBAL-ZIAGYGMSSA-N 1 0 235.327 2.043 10 0 BEAERO CCC[NH2+][C@@H]1CC[S@](=O)c2ccccc21 ZINC000040973507 169283051 /nfs/dbraw/zinc/28/30/51/169283051.db2.gz FUJXAHPZLLBWPB-IAQYHMDHSA-N 1 0 223.341 2.239 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)Cc2ccco2)C1 ZINC000042590218 169283392 /nfs/dbraw/zinc/28/33/92/169283392.db2.gz AWLRDGLEZBKOCP-QWHCGFSZSA-N 1 0 236.359 2.285 10 0 BEAERO CCC[NH2+][C@@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974191 169283463 /nfs/dbraw/zinc/28/34/63/169283463.db2.gz MCFCTBBRHDFZAV-BZNIZROVSA-N 1 0 241.331 2.378 10 0 BEAERO CCCOc1ccc(C(=O)CC[NH3+])cc1 ZINC000071510423 169317197 /nfs/dbraw/zinc/31/71/97/169317197.db2.gz WGXZKTBJDGAGRD-UHFFFAOYSA-N 1 0 207.273 2.007 10 0 BEAERO CCCOCCOCc1cc(C[NH2+]C)oc1C ZINC000104239400 169309511 /nfs/dbraw/zinc/30/95/11/169309511.db2.gz XZJRGSJGBAIELQ-UHFFFAOYSA-N 1 0 241.331 2.251 10 0 BEAERO CCCO[C@@H]1CCCN([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000062948874 169311437 /nfs/dbraw/zinc/31/14/37/169311437.db2.gz XPGCWLXBFQZICV-BFHYXJOUSA-N 1 0 240.391 2.018 10 0 BEAERO CCCOc1cc(C[NH3+])c2ccccc2n1 ZINC000051543695 169314781 /nfs/dbraw/zinc/31/47/81/169314781.db2.gz VSNDVBUIJZDKTP-UHFFFAOYSA-N 1 0 216.284 2.482 10 0 BEAERO CCCOc1cc2c(cc1C[NH2+]C1CC1)OCO2 ZINC000042874946 169315659 /nfs/dbraw/zinc/31/56/59/169315659.db2.gz UKDLFUGRGPTOMW-UHFFFAOYSA-N 1 0 249.310 2.456 10 0 BEAERO CCC[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000037241733 169291631 /nfs/dbraw/zinc/29/16/31/169291631.db2.gz XYWRZKHWYPJLJI-LBPRGKRZSA-N 1 0 210.365 2.393 10 0 BEAERO c1[nH]c2ccccc2c1C[NH2+][C@@H]1CCCOC1 ZINC000076677562 183438752 /nfs/dbraw/zinc/43/87/52/183438752.db2.gz QWOQOLMEVLJNRK-GFCCVEGCSA-N 1 0 230.311 2.437 10 0 BEAERO c1ccc([C@H]2[NH2+]CC23CCOCC3)cc1 ZINC000328579607 183434387 /nfs/dbraw/zinc/43/43/87/183434387.db2.gz QXAJILBHGRNHBN-GFCCVEGCSA-N 1 0 203.285 2.128 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000049647928 169291745 /nfs/dbraw/zinc/29/17/45/169291745.db2.gz FBYWWCJJRJIUEJ-ZDUSSCGKSA-N 1 0 232.327 2.100 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cc(C)ccc2C)C1=O ZINC000049647118 169292135 /nfs/dbraw/zinc/29/21/35/169292135.db2.gz JNVIRDPFCMSFQY-ZDUSSCGKSA-N 1 0 246.354 2.408 10 0 BEAERO CCC[NH2+][C@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976245 169292681 /nfs/dbraw/zinc/29/26/81/169292681.db2.gz KXBWDHBFPYXWCO-MEDUHNTESA-N 1 0 241.331 2.378 10 0 BEAERO CCC[NH2+][C@H]1Cc2c(O)cccc2C[C@@H]1C ZINC000040640333 169292770 /nfs/dbraw/zinc/29/27/70/169292770.db2.gz SRMYDECUJQRUEQ-GWCFXTLKSA-N 1 0 219.328 2.495 10 0 BEAERO CCC[NH2+][C@H]1CC[S@](=O)c2ccccc21 ZINC000040973509 169292789 /nfs/dbraw/zinc/29/27/89/169292789.db2.gz FUJXAHPZLLBWPB-XHDPSFHLSA-N 1 0 223.341 2.239 10 0 BEAERO CCC[NH2+][C@]1(CO)CCSc2ccccc21 ZINC000038123242 169293706 /nfs/dbraw/zinc/29/37/06/169293706.db2.gz SGEWKCFUBUTVEW-ZDUSSCGKSA-N 1 0 237.368 2.370 10 0 BEAERO CCCOc1ccc(Cl)cc1C[NH2+]CCO ZINC000020928732 169319521 /nfs/dbraw/zinc/31/95/21/169319521.db2.gz ZRUASAUWNKNBMY-UHFFFAOYSA-N 1 0 243.734 2.211 10 0 BEAERO CCCOc1ccc([C@@H](O)[C@H](C)[NH2+]C)cc1 ZINC000071531041 169321700 /nfs/dbraw/zinc/32/17/00/169321700.db2.gz MYLWWGMKOXDOQI-GWCFXTLKSA-N 1 0 223.316 2.117 10 0 BEAERO CCCOc1ccc([C@@H]([NH3+])c2cnccn2)cc1 ZINC000055263598 169321829 /nfs/dbraw/zinc/32/18/29/169321829.db2.gz DNMDJJSVHAJXOE-CQSZACIVSA-N 1 0 243.310 2.314 10 0 BEAERO CCCOc1ccc([C@H](O)C[NH2+]C2CC2)cc1 ZINC000033465504 169322494 /nfs/dbraw/zinc/32/24/94/169322494.db2.gz IZLDQTDCCMAHKE-CQSZACIVSA-N 1 0 235.327 2.261 10 0 BEAERO CCCOc1ccc2c(c1)[C@H]([NH3+])CCO2 ZINC000036928639 169323494 /nfs/dbraw/zinc/32/34/94/169323494.db2.gz NKUKACWZOFLRRH-LLVKDONJSA-N 1 0 207.273 2.258 10 0 BEAERO c1ccc2c(c1)snc2OC[C@@H]1CCC[NH2+]1 ZINC000095092685 183439673 /nfs/dbraw/zinc/43/96/73/183439673.db2.gz FJAZUVGGANTUSO-VIFPVBQESA-N 1 0 234.324 2.427 10 0 BEAERO c1ccc2c(c1)[nH]nc2[C@@H]1CCC[NH2+]C1 ZINC000082913031 183439876 /nfs/dbraw/zinc/43/98/76/183439876.db2.gz CODSMCOUHVHHQD-SECBINFHSA-N 1 0 201.273 2.030 10 0 BEAERO CCCOc1ccccc1[C@H](O)C[NH2+]C1CC1 ZINC000033465506 169328260 /nfs/dbraw/zinc/32/82/60/169328260.db2.gz JAPIFMATYRPWLG-CYBMUJFWSA-N 1 0 235.327 2.261 10 0 BEAERO CCC[C@@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000019392394 169368664 /nfs/dbraw/zinc/36/86/64/169368664.db2.gz YNVKOXHIPWBJKI-SNVBAGLBSA-N 1 0 220.316 2.064 10 0 BEAERO CCC[C@@H](C(=O)Nc1ccsc1)[NH+](C)C ZINC000162187973 169346124 /nfs/dbraw/zinc/34/61/24/169346124.db2.gz VZOGVFBVNYVQDE-JTQLQIEISA-N 1 0 226.345 2.417 10 0 BEAERO CCC[C@@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195450848 169354832 /nfs/dbraw/zinc/35/48/32/169354832.db2.gz YFUVQONUIWLISS-CHWSQXEVSA-N 1 0 238.375 2.119 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H](C)Cn1ccnc1 ZINC000037156837 169359799 /nfs/dbraw/zinc/35/97/99/169359799.db2.gz LMELOVQSELIKJT-NEPJUHHUSA-N 1 0 209.337 2.297 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000336750781 169360898 /nfs/dbraw/zinc/36/08/98/169360898.db2.gz ZUJSOYFZAVYTEP-MNOVXSKESA-N 1 0 221.348 2.293 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H]1CCCN(CC)C1 ZINC000040502509 169360960 /nfs/dbraw/zinc/36/09/60/169360960.db2.gz XVLQHBMVDIJLFA-OLZOCXBDSA-N 1 0 212.381 2.497 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C[C@@H](C)[NH2+]CC ZINC000061269756 169361950 /nfs/dbraw/zinc/36/19/50/169361950.db2.gz JMQLXLUKKINEMT-GHMZBOCLSA-N 1 0 214.353 2.022 10 0 BEAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000036949907 169372150 /nfs/dbraw/zinc/37/21/50/169372150.db2.gz QWKQWJRMYHUUEN-YMTOWFKASA-N 1 0 248.326 2.454 10 0 BEAERO CCC[C@@H](C)OC(=O)c1cnccc1N ZINC000039087047 169372508 /nfs/dbraw/zinc/37/25/08/169372508.db2.gz OYHOFJFZOUXYIJ-MRVPVSSYSA-N 1 0 208.261 2.009 10 0 BEAERO CCC[C@@H](CC)NC(=O)c1cccc(CC[NH3+])c1 ZINC000053663050 169378276 /nfs/dbraw/zinc/37/82/76/169378276.db2.gz YSJWLPLFAOTHGF-CQSZACIVSA-N 1 0 248.370 2.496 10 0 BEAERO CCC[C@@H](CC)NC(=O)[C@]1(CCC)CC[NH2+]C1 ZINC000062903382 169378551 /nfs/dbraw/zinc/37/85/51/169378551.db2.gz AGOBEKJUFOLDOX-TZMCWYRMSA-N 1 0 240.391 2.461 10 0 BEAERO CCC[C@@H](CC)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000310004480 169380322 /nfs/dbraw/zinc/38/03/22/169380322.db2.gz GBHIHTKMGBIXKU-GHMZBOCLSA-N 1 0 226.364 2.212 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000036873399 169388603 /nfs/dbraw/zinc/38/86/03/169388603.db2.gz IWHWDAWGDFMCJC-ZIAGYGMSSA-N 1 0 246.354 2.478 10 0 BEAERO CCC[C@@H]([NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096987019 169393006 /nfs/dbraw/zinc/39/30/06/169393006.db2.gz BSWWHPVBKXSAGA-WDEREUQCSA-N 1 0 242.363 2.371 10 0 BEAERO CCC[C@@H]([NH3+])Cc1nc([C@@H](C)CC)no1 ZINC000082563171 169393302 /nfs/dbraw/zinc/39/33/02/169393302.db2.gz NPFICRHAYXLVBR-DTWKUNHWSA-N 1 0 211.309 2.253 10 0 BEAERO CCC[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000034940635 169393732 /nfs/dbraw/zinc/39/37/32/169393732.db2.gz DTYIJYUGXDKLSN-LLVKDONJSA-N 1 0 218.300 2.005 10 0 BEAERO CCC[C@@H]([NH3+])c1nnc(-c2ccccc2)[nH]1 ZINC000042013567 169393857 /nfs/dbraw/zinc/39/38/57/169393857.db2.gz FMBPUUFUEDXSOI-SNVBAGLBSA-N 1 0 216.288 2.272 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(C(F)(F)F)c[nH]1 ZINC000036873745 169393891 /nfs/dbraw/zinc/39/38/91/169393891.db2.gz HKQQODNRNQKHEI-RXMQYKEDSA-N 1 0 207.199 2.228 10 0 BEAERO CCC[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000019968254 169394122 /nfs/dbraw/zinc/39/41/22/169394122.db2.gz ACTVGGVIOVVYJA-LLVKDONJSA-N 1 0 218.300 2.371 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)NCC ZINC000309698572 169419570 /nfs/dbraw/zinc/41/95/70/169419570.db2.gz LVQCMODSLSMVPP-IJLUTSLNSA-N 1 0 226.364 2.069 10 0 BEAERO c1csc(CCCCCN2CC[NH2+]CC2)c1 ZINC000049829406 183515398 /nfs/dbraw/zinc/51/53/98/183515398.db2.gz GFYDFTGJAWXIOJ-UHFFFAOYSA-N 1 0 238.400 2.366 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000223516933 134340466 /nfs/dbraw/zinc/34/04/66/134340466.db2.gz ONBPKATYEIJRHH-WOPDTQHZSA-N 1 0 229.389 2.023 10 0 BEAERO CCC[C@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC000034938774 169494352 /nfs/dbraw/zinc/49/43/52/169494352.db2.gz NGBDHGHOWVPXQG-GARJFASQSA-N 1 0 214.353 2.068 10 0 BEAERO CCC[C@H]([NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096987018 169504701 /nfs/dbraw/zinc/50/47/01/169504701.db2.gz BSWWHPVBKXSAGA-QWRGUYRKSA-N 1 0 242.363 2.371 10 0 BEAERO CCC[C@H](CC[NH3+])C(=O)N(C)c1ccccc1 ZINC000076616500 169498004 /nfs/dbraw/zinc/49/80/04/169498004.db2.gz SXPNUWXZTBVQGO-GFCCVEGCSA-N 1 0 234.343 2.415 10 0 BEAERO c1nnc([C@H]2CCCC[N@H+]2C2CCCC2)[nH]1 ZINC000182699006 134346937 /nfs/dbraw/zinc/34/69/37/134346937.db2.gz BXBIMPWQTIXRKE-LLVKDONJSA-N 1 0 220.320 2.274 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000336742370 169526582 /nfs/dbraw/zinc/52/65/82/169526582.db2.gz RXLFNFCAHDOZTO-QWHCGFSZSA-N 1 0 221.348 2.479 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]CCC(C)(C)C(=O)OC ZINC000309938005 169538960 /nfs/dbraw/zinc/53/89/60/169538960.db2.gz ALLSWYRWCGFSBN-WDEREUQCSA-N 1 0 227.348 2.354 10 0 BEAERO CCCc1ccc([C@@]2(C)OC[C@@H](C[NH3+])O2)cc1 ZINC000049827633 169574051 /nfs/dbraw/zinc/57/40/51/169574051.db2.gz LDDAQTMHMYSUHC-KGLIPLIRSA-N 1 0 235.327 2.186 10 0 BEAERO CCCc1ccc([C@@H](O)C[NH2+]C2CC2)cc1 ZINC000049817381 169574132 /nfs/dbraw/zinc/57/41/32/169574132.db2.gz HWZQNMLXAAUVBW-AWEZNQCLSA-N 1 0 219.328 2.425 10 0 BEAERO CCCc1ccc([C@H](CCO)[NH2+]C)cc1 ZINC000071510701 169575634 /nfs/dbraw/zinc/57/56/34/169575634.db2.gz OMULVGGHPKQYRM-ZDUSSCGKSA-N 1 0 207.317 2.282 10 0 BEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1C)C1CCCCC1 ZINC000104222108 169650390 /nfs/dbraw/zinc/65/03/90/169650390.db2.gz JQEHFFWCSRPKID-WCQYABFASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]([NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000066352289 383861865 /nfs/dbraw/zinc/86/18/65/383861865.db2.gz KICTUMAYHYGFGK-REOHCLBHSA-N 1 0 211.133 2.402 10 0 BEAERO c1ncn([C@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)n1 ZINC000066539524 383869261 /nfs/dbraw/zinc/86/92/61/383869261.db2.gz SQOSOKJVZSZJFB-STQMWFEESA-N 1 0 232.331 2.024 10 0 BEAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC1CC1 ZINC000035138580 383833920 /nfs/dbraw/zinc/83/39/20/383833920.db2.gz VPZZWQRHJIPXLS-IUCAKERBSA-N 1 0 238.356 2.066 10 0 BEAERO CC(C)(C)C[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000112344179 383918391 /nfs/dbraw/zinc/91/83/91/383918391.db2.gz HTVWLSBCEMQBRY-NSHDSACASA-N 1 0 234.343 2.388 10 0 BEAERO CC[C@H]([NH3+])COc1ccc(F)c(F)c1 ZINC000111929510 383885567 /nfs/dbraw/zinc/88/55/67/383885567.db2.gz YFOBZIWRUHGPGO-ZETCQYMHSA-N 1 0 201.216 2.081 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3=CCCC3)C[C@H]2C1 ZINC000401132553 383982261 /nfs/dbraw/zinc/98/22/61/383982261.db2.gz XJRKDTBYOXWHEN-MGPQQGTHSA-N 1 0 221.344 2.190 10 0 BEAERO [NH3+][C@@H](COC(F)(F)F)c1cccc(F)c1 ZINC000068576546 383999115 /nfs/dbraw/zinc/99/91/15/383999115.db2.gz NVOWTQXNDDDMJM-QMMMGPOBSA-N 1 0 223.169 2.362 10 0 BEAERO CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089162090 383939893 /nfs/dbraw/zinc/93/98/93/383939893.db2.gz OBDIHVJPLONKEW-UKRRQHHQSA-N 1 0 249.354 2.336 10 0 BEAERO CC(C)(C)OC(=O)n1cnc2cc(C[NH3+])ccc21 ZINC000089194956 383942161 /nfs/dbraw/zinc/94/21/61/383942161.db2.gz BBWMGEPWHWJJAR-UHFFFAOYSA-N 1 0 247.298 2.278 10 0 BEAERO C[NH+](C)C[C@H](O)c1cccc2ccccc21 ZINC000002014909 383942817 /nfs/dbraw/zinc/94/28/17/383942817.db2.gz CYGCSVLDTXQNDW-AWEZNQCLSA-N 1 0 215.296 2.435 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccnc2)n1 ZINC000112716372 383944231 /nfs/dbraw/zinc/94/42/31/383944231.db2.gz PORMEYNWBRQYED-NSHDSACASA-N 1 0 243.310 2.341 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000112716257 383944487 /nfs/dbraw/zinc/94/44/87/383944487.db2.gz SPBNHORPDAZLCM-LLVKDONJSA-N 1 0 243.310 2.341 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C)cc1C ZINC000037225328 383961822 /nfs/dbraw/zinc/96/18/22/383961822.db2.gz YFTXAUKSBUXFBM-GFCCVEGCSA-N 1 0 234.343 2.042 10 0 BEAERO C[C@@H]1[NH2+]CCO[C@@H]1c1ccc(Cl)cc1 ZINC000003604762 384021431 /nfs/dbraw/zinc/02/14/31/384021431.db2.gz LKRMGIFWZXHLGL-KWQFWETISA-N 1 0 211.692 2.389 10 0 BEAERO CCN(C)C(=O)Oc1cccc([C@H](C)[NH2+]C)c1 ZINC000090411665 384047975 /nfs/dbraw/zinc/04/79/75/384047975.db2.gz DKTHTUMLVSBQTJ-JTQLQIEISA-N 1 0 236.315 2.418 10 0 BEAERO CC(C)n1ncc2cc(C[NH2+]C3CC3)cnc21 ZINC000070166106 384083044 /nfs/dbraw/zinc/08/30/44/384083044.db2.gz NADOHWPIGNPYNF-UHFFFAOYSA-N 1 0 230.315 2.264 10 0 BEAERO CN(C)C[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000090994269 384090456 /nfs/dbraw/zinc/09/04/56/384090456.db2.gz ASBUVUIGFNIVLE-HNNXBMFYSA-N 1 0 243.354 2.407 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1Sc1ccccn1 ZINC000035723852 384098736 /nfs/dbraw/zinc/09/87/36/384098736.db2.gz CHUNRVISIRCDQQ-ZJUUUORDSA-N 1 0 208.330 2.301 10 0 BEAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@H](c1ccco1)C2 ZINC000072415387 384104739 /nfs/dbraw/zinc/10/47/39/384104739.db2.gz YUFCHQPSQKHWGW-DTWKUNHWSA-N 1 0 217.272 2.041 10 0 BEAERO [NH3+][C@H]1C[C@@H](c2ccccc2)Cc2n[nH]cc21 ZINC000072415335 384104778 /nfs/dbraw/zinc/10/47/78/384104778.db2.gz HBEKLUMFPWQVDB-PWSUYJOCSA-N 1 0 213.284 2.140 10 0 BEAERO CCCCNc1nc2c(s1)C[NH2+][C@@H](C)C2 ZINC000039110851 384105437 /nfs/dbraw/zinc/10/54/37/384105437.db2.gz KBCHOHCOSQDERH-QMMMGPOBSA-N 1 0 225.361 2.389 10 0 BEAERO Cn1ncc2c1C[C@@H](c1cccs1)C[C@@H]2[NH3+] ZINC000072415889 384107853 /nfs/dbraw/zinc/10/78/53/384107853.db2.gz XUSOXJVQYRKCEK-WPRPVWTQSA-N 1 0 233.340 2.211 10 0 BEAERO C[C@@H]1Cc2c(cnn2-c2ccccc2)[C@H]([NH3+])C1 ZINC000072415618 384108896 /nfs/dbraw/zinc/10/88/96/384108896.db2.gz DDRABPXZQSDSNK-GXFFZTMASA-N 1 0 227.311 2.454 10 0 BEAERO [NH3+][C@H]1CCCc2c1cnn2-c1ccccc1 ZINC000072415609 384109102 /nfs/dbraw/zinc/10/91/02/384109102.db2.gz KMCIRCGUHOQEFJ-LBPRGKRZSA-N 1 0 213.284 2.208 10 0 BEAERO C([NH2+][C@H]1CCCSC1)[C@@H]1CC12CCOCC2 ZINC000309709514 384136520 /nfs/dbraw/zinc/13/65/20/384136520.db2.gz WOBFKIYIAMVQTK-RYUDHWBXSA-N 1 0 241.400 2.288 10 0 BEAERO c1[nH]c2ccccc2c1C[C@@H]1CCC[NH2+]1 ZINC000028458265 384128237 /nfs/dbraw/zinc/12/82/37/384128237.db2.gz QDEZFSSAEVJNDS-NSHDSACASA-N 1 0 200.285 2.462 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)C2CC(C)C2)c1 ZINC000560483735 384163434 /nfs/dbraw/zinc/16/34/34/384163434.db2.gz JEPQYMAJDQAOKK-UHFFFAOYSA-N 1 0 232.327 2.391 10 0 BEAERO C[C@@H]([NH2+]CCc1ccsc1)[C@@H]1CCOC1 ZINC000132296925 384183149 /nfs/dbraw/zinc/18/31/49/384183149.db2.gz CMGBNCUFVNGPQH-ZYHUDNBSSA-N 1 0 225.357 2.305 10 0 BEAERO [NH3+]C[C@H](Cc1ccccc1)c1ccccn1 ZINC000041226351 384183797 /nfs/dbraw/zinc/18/37/97/384183797.db2.gz JLFXXFICMQGLRU-ZDUSSCGKSA-N 1 0 212.296 2.367 10 0 BEAERO [NH3+]C[C@H](c1cccs1)n1cc(Cl)cn1 ZINC000043107262 384199411 /nfs/dbraw/zinc/19/94/11/384199411.db2.gz JNOJWCFIUHLLGB-MRVPVSSYSA-N 1 0 227.720 2.146 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282316775 384233705 /nfs/dbraw/zinc/23/37/05/384233705.db2.gz KUJBVCHMJLBQOV-TZMCWYRMSA-N 1 0 246.354 2.060 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccccc1 ZINC000282340735 384237614 /nfs/dbraw/zinc/23/76/14/384237614.db2.gz MCVWISZUMKGHSP-FPMFFAJLSA-N 1 0 246.354 2.394 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1C ZINC000282346700 384239205 /nfs/dbraw/zinc/23/92/05/384239205.db2.gz MNAOXMJPAFDQRU-JSGCOSHPSA-N 1 0 246.354 2.060 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccnn1C ZINC000278822557 384222882 /nfs/dbraw/zinc/22/28/82/384222882.db2.gz SNXPXHDBJZAWSI-MXWKQRLJSA-N 1 0 207.321 2.259 10 0 BEAERO C[C@@H](O)CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000118999190 384224770 /nfs/dbraw/zinc/22/47/70/384224770.db2.gz BAZVFHIHNMQVOS-RNCFNFMXSA-N 1 0 223.291 2.174 10 0 BEAERO CC(C)[C@@H]([NH2+]CCO)c1ccc(F)c(F)c1 ZINC000132397665 384228355 /nfs/dbraw/zinc/22/83/55/384228355.db2.gz VFCOCBMNRGEVOE-GFCCVEGCSA-N 1 0 229.270 2.244 10 0 BEAERO COCc1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1 ZINC000093606932 384251332 /nfs/dbraw/zinc/25/13/32/384251332.db2.gz ZQWUKMQESBZDNS-STQMWFEESA-N 1 0 249.354 2.442 10 0 BEAERO CCc1ccccc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282393677 384259139 /nfs/dbraw/zinc/25/91/39/384259139.db2.gz PCVVPWQPPIOPBO-FZMZJTMJSA-N 1 0 246.354 2.006 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCc2ccccc2C1 ZINC000119400407 384266616 /nfs/dbraw/zinc/26/66/16/384266616.db2.gz OUIZDHCINNRGJC-AWEZNQCLSA-N 1 0 219.328 2.206 10 0 BEAERO CC(C)n1ccnc1C[S@](=O)CC1CC1 ZINC000133727226 384309568 /nfs/dbraw/zinc/30/95/68/384309568.db2.gz NQNYGCBTPFGOQB-HNNXBMFYSA-N 1 0 226.345 2.123 10 0 BEAERO CCC[C@@H](C(=O)N1CCC[C@H](C)CC1)[NH+](C)C ZINC000179700006 384335051 /nfs/dbraw/zinc/33/50/51/384335051.db2.gz GSQHHVOVLJWHCE-STQMWFEESA-N 1 0 240.391 2.365 10 0 BEAERO Clc1nc2ccccc2nc1O[C@H]1CC[NH2+]C1 ZINC000095070465 384337322 /nfs/dbraw/zinc/33/73/22/384337322.db2.gz UAYIXZXNPYSERP-QMMMGPOBSA-N 1 0 249.701 2.024 10 0 BEAERO CN(C[C@H]1CCCC[NH2+]1)c1nc2ccccc2[nH]1 ZINC000095070841 384338586 /nfs/dbraw/zinc/33/85/86/384338586.db2.gz KJFJNOULPOCHIS-LLVKDONJSA-N 1 0 244.342 2.141 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1cnc(Cl)s1 ZINC000095072298 384343374 /nfs/dbraw/zinc/34/33/74/384343374.db2.gz FGJWOBDSUVQGJH-BDAKNGLRSA-N 1 0 245.779 2.156 10 0 BEAERO [NH3+]C[C@H]1CCCN1c1nsc2ccccc21 ZINC000095072612 384343568 /nfs/dbraw/zinc/34/35/68/384343568.db2.gz IWSLBYDZBYJJLV-SECBINFHSA-N 1 0 233.340 2.224 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccc(Cl)nc1 ZINC000095072274 384343893 /nfs/dbraw/zinc/34/38/93/384343893.db2.gz CFFROILXKPQEOQ-MNOVXSKESA-N 1 0 239.750 2.095 10 0 BEAERO [NH3+][C@H]1COc2ccc(C(F)(F)F)cc21 ZINC000075882316 384345152 /nfs/dbraw/zinc/34/51/52/384345152.db2.gz IWDYFMAZOKVBNW-ZETCQYMHSA-N 1 0 203.163 2.098 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000159088574 384348378 /nfs/dbraw/zinc/34/83/78/384348378.db2.gz LRLRTSWPZXUMIZ-AGIUHOORSA-N 1 0 212.381 2.349 10 0 BEAERO C[NH+](C)CCC1C[NH+](Cc2ccccc2)C1 ZINC000095074256 384350711 /nfs/dbraw/zinc/35/07/11/384350711.db2.gz WEWCZOLYOCMQJH-UHFFFAOYSA-N 1 0 218.344 2.070 10 0 BEAERO O=C1Nc2cc(C3CC[NH2+]CC3)ccc2CO1 ZINC000095079435 384355832 /nfs/dbraw/zinc/35/58/32/384355832.db2.gz DZIAFVVHUFJBPO-UHFFFAOYSA-N 1 0 232.283 2.216 10 0 BEAERO COc1c(C[N@H+](C)C2CCCC2)c(C)nn1C ZINC000179798326 384358912 /nfs/dbraw/zinc/35/89/12/384358912.db2.gz QMWCEPPLGCQUEE-UHFFFAOYSA-N 1 0 237.347 2.112 10 0 BEAERO c1ccc(CSC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095092736 384362735 /nfs/dbraw/zinc/36/27/35/384362735.db2.gz ZIAFIDGKISHMEL-LBPRGKRZSA-N 1 0 222.357 2.457 10 0 BEAERO c1ccc(OCCC[C@H]2CCCC[NH2+]2)nc1 ZINC000095092513 384363006 /nfs/dbraw/zinc/36/30/06/384363006.db2.gz QNIQGYIGCODWIU-GFCCVEGCSA-N 1 0 220.316 2.383 10 0 BEAERO c1ncc(CSC[C@@H]2CCC[NH2+]2)s1 ZINC000095092764 384363469 /nfs/dbraw/zinc/36/34/69/384363469.db2.gz SJAALUDKCIIEFY-QMMMGPOBSA-N 1 0 214.359 2.128 10 0 BEAERO c1cncc(CS[C@@H]2CCC[NH2+]C2)c1 ZINC000095092727 384363663 /nfs/dbraw/zinc/36/36/63/384363663.db2.gz LIUDEGDCDFCQPB-LLVKDONJSA-N 1 0 208.330 2.067 10 0 BEAERO c1ncc(COCCCC2CC[NH2+]CC2)s1 ZINC000095092586 384363991 /nfs/dbraw/zinc/36/39/91/384363991.db2.gz DVMMYWQRNGUTHY-UHFFFAOYSA-N 1 0 240.372 2.440 10 0 BEAERO c1ncc(CSC[C@H]2CCC[NH2+]2)s1 ZINC000095092765 384364016 /nfs/dbraw/zinc/36/40/16/384364016.db2.gz SJAALUDKCIIEFY-MRVPVSSYSA-N 1 0 214.359 2.128 10 0 BEAERO [NH3+]Cc1ccncc1NC1CCCCC1 ZINC000013608497 384366027 /nfs/dbraw/zinc/36/60/27/384366027.db2.gz WUMRWBDWOMSRCA-UHFFFAOYSA-N 1 0 205.305 2.285 10 0 BEAERO Cc1cnc(SC[C@@H]2CCC[NH2+]2)nc1Cl ZINC000095068733 384329326 /nfs/dbraw/zinc/32/93/26/384329326.db2.gz ZTBUWDMLMIPGDK-QMMMGPOBSA-N 1 0 243.763 2.283 10 0 BEAERO Cc1ccc(SC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095069158 384332739 /nfs/dbraw/zinc/33/27/39/384332739.db2.gz ITNJBORDVZBJHO-LLVKDONJSA-N 1 0 222.357 2.482 10 0 BEAERO Cc1cc(C)nc(OCCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095068899 384333011 /nfs/dbraw/zinc/33/30/11/384333011.db2.gz IMWNDIHMNLIJPJ-ZDUSSCGKSA-N 1 0 249.358 2.395 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000134123497 384334286 /nfs/dbraw/zinc/33/42/86/384334286.db2.gz OLEZZXWKRHSMOL-DCAQKATOSA-N 1 0 225.307 2.493 10 0 BEAERO CC[C@@](C)(CN[C@H](C)c1ncc(C)o1)OC ZINC000319722464 384405265 /nfs/dbraw/zinc/40/52/65/384405265.db2.gz UTAKBRYJDVNJCQ-PWSUYJOCSA-N 1 0 226.320 2.449 10 0 BEAERO [NH3+][C@H]1CSC=C2C=CC(Br)=C[C@@H]21 ZINC000095921497 384407326 /nfs/dbraw/zinc/40/73/26/384407326.db2.gz RSTPUNCMLHKZJC-IUCAKERBSA-N 1 0 244.157 2.409 10 0 BEAERO CCOc1ccc(NCC(C)(C)[NH3+])cc1 ZINC000095936714 384414593 /nfs/dbraw/zinc/41/45/93/384414593.db2.gz DAHMCGMJDORZED-UHFFFAOYSA-N 1 0 208.305 2.235 10 0 BEAERO O=C1OCC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000095937753 384417221 /nfs/dbraw/zinc/41/72/21/384417221.db2.gz VFWDEMGXCRXMJU-OAHLLOKOSA-N 1 0 245.322 2.216 10 0 BEAERO CC1(C)C[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000309101445 384422706 /nfs/dbraw/zinc/42/27/06/384422706.db2.gz FYDCFJDUBXQLGD-GXSJLCMTSA-N 1 0 205.305 2.175 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000084226092 384379636 /nfs/dbraw/zinc/37/96/36/384379636.db2.gz URKWQPXAJDUFRF-DGCLKSJQSA-N 1 0 211.349 2.460 10 0 BEAERO CCC1(CC)C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000095642300 384385900 /nfs/dbraw/zinc/38/59/00/384385900.db2.gz WMOTWNLFWJSBHZ-UHFFFAOYSA-N 1 0 242.363 2.386 10 0 BEAERO C[C@@H]1CCCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000648168826 384449029 /nfs/dbraw/zinc/44/90/29/384449029.db2.gz YDRZMPPYLLZMOR-FRRDWIJNSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc2c(c1)CCO2 ZINC000135311136 384434561 /nfs/dbraw/zinc/43/45/61/384434561.db2.gz GFYXLULFPXGNAZ-COPLHBTASA-N 1 0 247.338 2.450 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H](C)Cn1cccn1 ZINC000037154463 384486373 /nfs/dbraw/zinc/48/63/73/384486373.db2.gz TXVJFZHZTFGNCI-NWDGAFQWSA-N 1 0 209.337 2.297 10 0 BEAERO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000048419028 384488816 /nfs/dbraw/zinc/48/88/16/384488816.db2.gz NSYHBMRVQMRYRE-CHWSQXEVSA-N 1 0 246.354 2.348 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc(F)cc1F ZINC000054929549 384512934 /nfs/dbraw/zinc/51/29/34/384512934.db2.gz QBUXSKDXRFSZBY-RYUDHWBXSA-N 1 0 229.270 2.372 10 0 BEAERO C[C@H]([NH2+]CCC[NH3+])c1ccc(F)c(Cl)c1 ZINC000037713439 384513213 /nfs/dbraw/zinc/51/32/13/384513213.db2.gz GYGJVMRKQBJKNR-QMMMGPOBSA-N 1 0 230.714 2.479 10 0 BEAERO CC(C)[C@@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000037713845 384513747 /nfs/dbraw/zinc/51/37/47/384513747.db2.gz UCJQOJXAQJWWKF-CYBMUJFWSA-N 1 0 206.333 2.322 10 0 BEAERO CCC[C@@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186496650 134417632 /nfs/dbraw/zinc/41/76/32/134417632.db2.gz XKDSMYGCJITZFM-VXGBXAGGSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]([NH3+])c1csc([C@H]2CCSC2)n1 ZINC000258273219 384551371 /nfs/dbraw/zinc/55/13/71/384551371.db2.gz YAHIJISSFQQXMM-RQJHMYQMSA-N 1 0 214.359 2.383 10 0 BEAERO CCC[C@H](C)C[NH2+]CCN1CCCCC1 ZINC000049574615 384551540 /nfs/dbraw/zinc/55/15/40/384551540.db2.gz HFNLPCSLCUZDRI-ZDUSSCGKSA-N 1 0 212.381 2.498 10 0 BEAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(F)c2)C1 ZINC000334745998 384559205 /nfs/dbraw/zinc/55/92/05/384559205.db2.gz MQRFFHIJIGLGHS-GXFFZTMASA-N 1 0 223.291 2.028 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccn1C ZINC000184055630 384559987 /nfs/dbraw/zinc/55/99/87/384559987.db2.gz SSYWWIFEDYSWOC-DZGCQCFKSA-N 1 0 247.386 2.084 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000052395902 384539882 /nfs/dbraw/zinc/53/98/82/384539882.db2.gz XGXCTSNPTUBJFV-NXEZZACHSA-N 1 0 238.356 2.020 10 0 BEAERO CC[N@H+](CCc1nccs1)C[C@@](C)(O)CC ZINC000162058668 384566062 /nfs/dbraw/zinc/56/60/62/384566062.db2.gz VPEQCEFWIODRLJ-LBPRGKRZSA-N 1 0 242.388 2.169 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)o1 ZINC000084446620 384619473 /nfs/dbraw/zinc/61/94/73/384619473.db2.gz KJMSDMYTECVXKW-KPPDAEKUSA-N 1 0 209.289 2.010 10 0 BEAERO [NH3+][C@H]1CC[C@H](Nc2nc3ccccc3[nH]2)CC1 ZINC000100267926 384629163 /nfs/dbraw/zinc/62/91/63/384629163.db2.gz URLZDCSCQXVPAJ-AOOOYVTPSA-N 1 0 230.315 2.245 10 0 BEAERO CC(C)(C)c1ccc([C@@]2(CO)CC[NH2+]C2)cc1 ZINC000258810691 384667358 /nfs/dbraw/zinc/66/73/58/384667358.db2.gz NZCNAUHROAGRJY-HNNXBMFYSA-N 1 0 233.355 2.208 10 0 BEAERO [NH3+][C@H]1CCOC[C@H]1Cc1ccccc1Cl ZINC000082360262 384674740 /nfs/dbraw/zinc/67/47/40/384674740.db2.gz JZNPPWDTOXUAPA-PWSUYJOCSA-N 1 0 225.719 2.246 10 0 BEAERO CC(C)(C)OC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050928461 384649229 /nfs/dbraw/zinc/64/92/29/384649229.db2.gz JBDYPEVGKHFAQF-SNVBAGLBSA-N 1 0 213.321 2.250 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC000309833020 384652785 /nfs/dbraw/zinc/65/27/85/384652785.db2.gz ZDFMFUSBQGGSCV-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO CC(C)(C)OCC[N@@H+]1CCC[C@H]1CCCO ZINC000104956843 384725672 /nfs/dbraw/zinc/72/56/72/384725672.db2.gz TXSLPPQYEARUCK-LBPRGKRZSA-N 1 0 229.364 2.038 10 0 BEAERO COc1ccc(N[C@H](C)C[NH3+])cc1Cl ZINC000234878858 384676946 /nfs/dbraw/zinc/67/69/46/384676946.db2.gz ZLIHARPWNYONCM-SSDOTTSWSA-N 1 0 214.696 2.108 10 0 BEAERO CSCCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000173650711 384706368 /nfs/dbraw/zinc/70/63/68/384706368.db2.gz IINJVQYAWYPBJC-LBPRGKRZSA-N 1 0 239.388 2.310 10 0 BEAERO CC[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000104866921 384715555 /nfs/dbraw/zinc/71/55/55/384715555.db2.gz BRFRYMHULIPECP-STQMWFEESA-N 1 0 240.391 2.269 10 0 BEAERO Cc1nn(C)cc1C[NH2+]C[C@H](C)C(C)C ZINC000126053898 384728440 /nfs/dbraw/zinc/72/84/40/384728440.db2.gz PNFVGIYIYFJTIO-JTQLQIEISA-N 1 0 209.337 2.110 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCC(=O)NC ZINC000310004022 384778346 /nfs/dbraw/zinc/77/83/46/384778346.db2.gz FWUXBOBLXITJQJ-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@@H]1Sc2c(cc(F)cc2F)[C@@H]1[NH3+] ZINC000043636139 384728485 /nfs/dbraw/zinc/72/84/85/384728485.db2.gz QIJCZAJCUQGCOK-RNHFCUEFSA-N 1 0 201.241 2.459 10 0 BEAERO C[C@@H]([NH3+])Cc1cscc1Br ZINC000044463328 384733834 /nfs/dbraw/zinc/73/38/34/384733834.db2.gz IBKNAWOMRXDJHA-RXMQYKEDSA-N 1 0 220.135 2.400 10 0 BEAERO CC[C@H]([NH2+]CCc1ccnn1C)C(C)(C)C ZINC000309938032 384734419 /nfs/dbraw/zinc/73/44/19/384734419.db2.gz AMGWOBJYEPNRJB-LBPRGKRZSA-N 1 0 223.364 2.377 10 0 BEAERO CC(C)=CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052554759 384736422 /nfs/dbraw/zinc/73/64/22/384736422.db2.gz UEFSEBIDSWYXBZ-AWEZNQCLSA-N 1 0 246.354 2.372 10 0 BEAERO CCOC[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000309960849 384739781 /nfs/dbraw/zinc/73/97/81/384739781.db2.gz LBAXXAOIBYQOMJ-SRVKXCTJSA-N 1 0 229.364 2.205 10 0 BEAERO CCOC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309960846 384739964 /nfs/dbraw/zinc/73/99/64/384739964.db2.gz LBAXXAOIBYQOMJ-FVCCEPFGSA-N 1 0 229.364 2.205 10 0 BEAERO CC(C)[C@@H]1CN(c2ccccc2)CC[NH2+]1 ZINC000083059933 384741475 /nfs/dbraw/zinc/74/14/75/384741475.db2.gz PAGHICNGHPHTLW-ZDUSSCGKSA-N 1 0 204.317 2.121 10 0 BEAERO N[C@@H](C[NH3+])c1c(F)ccc(Cl)c1Cl ZINC000044473150 384741802 /nfs/dbraw/zinc/74/18/02/384741802.db2.gz NHBCUAICKNFGEP-LURJTMIESA-N 1 0 223.078 2.091 10 0 BEAERO C[C@@H]([NH2+]CCCCCF)[C@H]1CCCO1 ZINC000308487329 384745071 /nfs/dbraw/zinc/74/50/71/384745071.db2.gz PHLRJJBSAGNUTM-GHMZBOCLSA-N 1 0 203.301 2.283 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)o1 ZINC000300395778 384752201 /nfs/dbraw/zinc/75/22/01/384752201.db2.gz IPTWHNYSROLRHJ-MIMYLULJSA-N 1 0 224.304 2.201 10 0 BEAERO CC(C)(C)OC(=O)N(CC[NH3+])c1ccccc1 ZINC000083253344 384754210 /nfs/dbraw/zinc/75/42/10/384754210.db2.gz AEACDUISWKMUHY-UHFFFAOYSA-N 1 0 236.315 2.387 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000309973873 384756025 /nfs/dbraw/zinc/75/60/25/384756025.db2.gz RFJKBIGIQIBISR-KWQFWETISA-N 1 0 238.356 2.288 10 0 BEAERO C[C@H]([NH3+])c1nnc(-c2cccc(F)c2)s1 ZINC000083320360 384758292 /nfs/dbraw/zinc/75/82/92/384758292.db2.gz GURDHSSPELXLEO-LURJTMIESA-N 1 0 223.276 2.364 10 0 BEAERO C[C@@H]1CC(C[NH2+]C[C@@H](O)C(C)(C)C)C[C@@H](C)O1 ZINC000518171106 384762412 /nfs/dbraw/zinc/76/24/12/384762412.db2.gz QDANNTGONZEUNT-NQBHXWOUSA-N 1 0 243.391 2.187 10 0 BEAERO [NH3+]C[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000144779226 384764552 /nfs/dbraw/zinc/76/45/52/384764552.db2.gz CHVUHMKQQVIFMG-QMMMGPOBSA-N 1 0 218.275 2.371 10 0 BEAERO Cc1c(I)cccc1C[NH3+] ZINC000083376210 384768365 /nfs/dbraw/zinc/76/83/65/384768365.db2.gz RSDFQGWYVYLGNA-UHFFFAOYSA-N 1 0 247.079 2.058 10 0 BEAERO Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000376069120 384837985 /nfs/dbraw/zinc/83/79/85/384837985.db2.gz RDCSDJKWPAJTKQ-APIJFGDWSA-N 1 0 247.313 2.295 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCNC(C)=O ZINC000310022075 384790953 /nfs/dbraw/zinc/79/09/53/384790953.db2.gz NWCITLALVRDKML-STQMWFEESA-N 1 0 226.364 2.071 10 0 BEAERO CCCC(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000101564452 384797836 /nfs/dbraw/zinc/79/78/36/384797836.db2.gz WZVUNCJKWVHDAR-CYBMUJFWSA-N 1 0 238.375 2.333 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398115149 384807361 /nfs/dbraw/zinc/80/73/61/384807361.db2.gz YTJUZXSXDNOCFN-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO CCOc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000375760062 384809440 /nfs/dbraw/zinc/80/94/40/384809440.db2.gz SEERYRCBDYQGKM-QKDCVEJESA-N 1 0 247.338 2.067 10 0 BEAERO C[N@H+](CCc1ccncc1)C[C@H]1CCCC[C@@H]1O ZINC000053884117 384810792 /nfs/dbraw/zinc/81/07/92/384810792.db2.gz MIKWGPONJJKQSG-CABCVRRESA-N 1 0 248.370 2.107 10 0 BEAERO [NH3+]CCn1cc(Br)c2ccccc21 ZINC000055310035 384880888 /nfs/dbraw/zinc/88/08/88/384880888.db2.gz UMGZRXKEFJFZEL-UHFFFAOYSA-N 1 0 239.116 2.363 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000055421485 384883327 /nfs/dbraw/zinc/88/33/27/384883327.db2.gz VSOUHPQMJMFVJV-SNVBAGLBSA-N 1 0 228.295 2.386 10 0 BEAERO C[C@@H]([NH3+])Cc1c[nH]c2ccc3c(c12)CCCO3 ZINC000013527318 384849709 /nfs/dbraw/zinc/84/97/09/384849709.db2.gz VVHJUSGIUWQPIT-SECBINFHSA-N 1 0 230.311 2.383 10 0 BEAERO [NH3+]C[C@@H](F)c1cscc1Br ZINC000156357486 384851247 /nfs/dbraw/zinc/85/12/47/384851247.db2.gz HWDOZQZJZNVORA-ZCFIWIBFSA-N 1 0 224.098 2.480 10 0 BEAERO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1cncnc1 ZINC000054767186 384855671 /nfs/dbraw/zinc/85/56/71/384855671.db2.gz XGAGWJHWPVDYCB-GFCCVEGCSA-N 1 0 229.283 2.237 10 0 BEAERO CCC[C@H](C)C[NH2+]CCn1cc(C)cn1 ZINC000127360162 384856404 /nfs/dbraw/zinc/85/64/04/384856404.db2.gz DZVKONCWZIJKQX-NSHDSACASA-N 1 0 209.337 2.217 10 0 BEAERO CC(C)(CC[NH3+])[NH2+]Cc1cccc(F)c1 ZINC000258931053 384953036 /nfs/dbraw/zinc/95/30/36/384953036.db2.gz VJIYUYUBNHUIPA-UHFFFAOYSA-N 1 0 210.296 2.043 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+][C@@H](C)CC1CC1 ZINC000127599781 384905729 /nfs/dbraw/zinc/90/57/29/384905729.db2.gz KHCOFFRSYCWJOZ-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)(C)CC[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000365615653 384907467 /nfs/dbraw/zinc/90/74/67/384907467.db2.gz YZNBVBYUBUFUNR-SNVBAGLBSA-N 1 0 221.348 2.293 10 0 BEAERO FCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000127922097 384922066 /nfs/dbraw/zinc/92/20/66/384922066.db2.gz VJFGWFJKBNXLJG-RYUDHWBXSA-N 1 0 225.311 2.316 10 0 BEAERO CCC[C@@](C)(O)C[NH2+][C@H]1CCCSC1 ZINC000128268490 384937950 /nfs/dbraw/zinc/93/79/50/384937950.db2.gz WSIOAIUNDJKXTL-WDEREUQCSA-N 1 0 217.378 2.023 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000087289964 384938573 /nfs/dbraw/zinc/93/85/73/384938573.db2.gz BDRFIKHOALFYLS-AAEUAGOBSA-N 1 0 222.332 2.415 10 0 BEAERO CC(C)(C[NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000258910550 384942825 /nfs/dbraw/zinc/94/28/25/384942825.db2.gz IFHVIQRGCNKDGL-LBPRGKRZSA-N 1 0 210.365 2.154 10 0 BEAERO CC[C@@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000187696834 384973067 /nfs/dbraw/zinc/97/30/67/384973067.db2.gz LNNXUFHWPVKASR-GFCCVEGCSA-N 1 0 248.374 2.176 10 0 BEAERO CCc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)o1 ZINC000085973553 384975876 /nfs/dbraw/zinc/97/58/76/384975876.db2.gz QXTLHEMKICSNKE-BXUZGUMPSA-N 1 0 237.343 2.483 10 0 BEAERO Cc1ccncc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128038489 384981830 /nfs/dbraw/zinc/98/18/30/384981830.db2.gz FBPKKIOGQGLNBJ-CHWSQXEVSA-N 1 0 231.343 2.429 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2CO)sn1 ZINC000404435051 384996232 /nfs/dbraw/zinc/99/62/32/384996232.db2.gz QPVQIPDASLPAIL-PWSUYJOCSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@H](C)CC(C)C)c1 ZINC000300856314 384997593 /nfs/dbraw/zinc/99/75/93/384997593.db2.gz FYCXBYSQFPFSCD-GFCCVEGCSA-N 1 0 223.364 2.463 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000086256440 385004296 /nfs/dbraw/zinc/00/42/96/385004296.db2.gz LQFLSBQHIUCFQH-OLZOCXBDSA-N 1 0 222.332 2.165 10 0 BEAERO CC(C)C1([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000339515627 385011511 /nfs/dbraw/zinc/01/15/11/385011511.db2.gz YQVUKYZZVHHFBO-QMMMGPOBSA-N 1 0 225.254 2.078 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000087012048 385063316 /nfs/dbraw/zinc/06/33/16/385063316.db2.gz VMRSNQLNODYRSL-OCCSQVGLSA-N 1 0 235.327 2.130 10 0 BEAERO CC(C)CC(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000177646358 385074815 /nfs/dbraw/zinc/07/48/15/385074815.db2.gz SXXMJJRJACSUAX-GFCCVEGCSA-N 1 0 240.391 2.221 10 0 BEAERO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCSC2)o1 ZINC000128291539 385023804 /nfs/dbraw/zinc/02/38/04/385023804.db2.gz CGSPABJIUUYILS-GHMZBOCLSA-N 1 0 241.356 2.107 10 0 BEAERO Cc1c(C[NH2+]CCc2cccs2)cnn1C ZINC000086551877 385026286 /nfs/dbraw/zinc/02/62/86/385026286.db2.gz GZGLXYJTSPSELK-UHFFFAOYSA-N 1 0 235.356 2.122 10 0 BEAERO [NH3+]C[C@@H](F)Cc1cc(Br)cs1 ZINC000156373069 385040062 /nfs/dbraw/zinc/04/00/62/385040062.db2.gz WXSYHMKQPZFZDQ-LURJTMIESA-N 1 0 238.125 2.350 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000407979552 385110965 /nfs/dbraw/zinc/11/09/65/385110965.db2.gz PWKLLLMGZOWOCC-CHWSQXEVSA-N 1 0 247.338 2.331 10 0 BEAERO Cc1ccc(C(=O)OC2CC[NH+](C)CC2)cc1 ZINC000029252548 385115506 /nfs/dbraw/zinc/11/55/06/385115506.db2.gz XKFKEXMPVOKTJQ-UHFFFAOYSA-N 1 0 233.311 2.246 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])C1CCOCC1 ZINC000061672196 385128817 /nfs/dbraw/zinc/12/88/17/385128817.db2.gz BLCQFZJUJXDCNU-SNVBAGLBSA-N 1 0 211.330 2.483 10 0 BEAERO Cc1cc(-c2ccc(Cl)cc2)nc(NN)[nH+]1 ZINC000062203192 385089279 /nfs/dbraw/zinc/08/92/79/385089279.db2.gz SSQVTAMLPGBCHV-UHFFFAOYSA-N 1 0 234.690 2.391 10 0 BEAERO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051990999 385094499 /nfs/dbraw/zinc/09/44/99/385094499.db2.gz QDPWYZGGXLJBPO-MNOVXSKESA-N 1 0 225.357 2.450 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1ccoc1C ZINC000119409782 385094943 /nfs/dbraw/zinc/09/49/43/385094943.db2.gz MBJCDPFBTMFXEE-LBPRGKRZSA-N 1 0 211.305 2.181 10 0 BEAERO Cc1ccc([C@H]([NH3+])[C@H]2CCCOC2)s1 ZINC000062230584 385097218 /nfs/dbraw/zinc/09/72/18/385097218.db2.gz SMYDNXIGQUWOBK-GXSJLCMTSA-N 1 0 211.330 2.483 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1c1nc(-c2cccs2)no1 ZINC000070999959 385106417 /nfs/dbraw/zinc/10/64/17/385106417.db2.gz HFRNANVOKYDALC-SFYZADRCSA-N 1 0 235.312 2.393 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc2c(c1)CCO2 ZINC000109545618 385174231 /nfs/dbraw/zinc/17/42/31/385174231.db2.gz QABYGVOAMZUGRB-SMDDNHRTSA-N 1 0 247.338 2.451 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)Oc1cccc(F)c1F ZINC000062613909 385177641 /nfs/dbraw/zinc/17/76/41/385177641.db2.gz ONOMLASKDRRMRV-RNFRBKRXSA-N 1 0 201.216 2.079 10 0 BEAERO C[C@H]([NH3+])[C@H](C)Oc1cccc(F)c1F ZINC000062613911 385178023 /nfs/dbraw/zinc/17/80/23/385178023.db2.gz ONOMLASKDRRMRV-BQBZGAKWSA-N 1 0 201.216 2.079 10 0 BEAERO Cc1cscc1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000306876792 385223254 /nfs/dbraw/zinc/22/32/54/385223254.db2.gz CBCWGMTZYUWFQV-VHSXEESVSA-N 1 0 210.346 2.466 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)[C@H]1C ZINC000305780623 385227056 /nfs/dbraw/zinc/22/70/56/385227056.db2.gz OGTRPERLIVLFHB-BVIHXZOGSA-N 1 0 231.339 2.375 10 0 BEAERO c1ccn([C@@H]2c3ccccc3O[C@@]23CC[NH2+]C3)c1 ZINC000029319015 385242045 /nfs/dbraw/zinc/24/20/45/385242045.db2.gz UCLXLROUZUWSAQ-HUUCEWRRSA-N 1 0 240.306 2.202 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC12CCC2)[C@H]1CCCO1 ZINC000308888017 385242934 /nfs/dbraw/zinc/24/29/34/385242934.db2.gz WKOYQWGZDWSJEA-TUAOUCFPSA-N 1 0 209.333 2.476 10 0 BEAERO [NH3+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000050224161 385311813 /nfs/dbraw/zinc/31/18/13/385311813.db2.gz YECCJPIXVWZYQO-UHFFFAOYSA-N 1 0 243.097 2.033 10 0 BEAERO COC[C@@H](CC(C)C)[NH2+]C1CC(F)(F)C1 ZINC000308963466 385315844 /nfs/dbraw/zinc/31/58/44/385315844.db2.gz SYVYMNYVNWHTML-SECBINFHSA-N 1 0 221.291 2.435 10 0 BEAERO C[C@@H]([NH3+])c1cnn(Cc2cccc(F)c2)c1 ZINC000054716868 385318561 /nfs/dbraw/zinc/31/85/61/385318561.db2.gz JASMHNTWAAENHL-SECBINFHSA-N 1 0 219.263 2.090 10 0 BEAERO [NH3+]Cc1cc(C(F)F)nc(C(F)F)c1 ZINC000238644825 385260292 /nfs/dbraw/zinc/26/02/92/385260292.db2.gz HHJPTKITRHFYMV-UHFFFAOYSA-N 1 0 208.158 2.416 10 0 BEAERO CCc1cc(N[C@@H]2CCO[C@@H]2C)cc[nH+]1 ZINC000307766708 385260437 /nfs/dbraw/zinc/26/04/37/385260437.db2.gz FOQLUIPAYLNWMO-BXKDBHETSA-N 1 0 206.289 2.233 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000346870259 385267183 /nfs/dbraw/zinc/26/71/83/385267183.db2.gz LSTFSQFRCQWWDB-YPMHNXCESA-N 1 0 233.311 2.136 10 0 BEAERO c1ncn(C2CC[NH+](CC3CCCC3)CC2)n1 ZINC000157767044 385275246 /nfs/dbraw/zinc/27/52/46/385275246.db2.gz CMRWGHHFJQUBOS-UHFFFAOYSA-N 1 0 234.347 2.105 10 0 BEAERO COC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308911506 385286520 /nfs/dbraw/zinc/28/65/20/385286520.db2.gz DUWHPJQRVFJSPJ-UTUOFQBUSA-N 1 0 217.328 2.387 10 0 BEAERO C[NH2+][C@H](C)c1ccc(-n2ccnc2)c(F)c1 ZINC000034663903 385289606 /nfs/dbraw/zinc/28/96/06/385289606.db2.gz OLTBMNIDDCGCAV-SECBINFHSA-N 1 0 219.263 2.292 10 0 BEAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]CCCO ZINC000034676160 385289660 /nfs/dbraw/zinc/28/96/60/385289660.db2.gz KAQXLSAOMMGBQJ-YNEHKIRRSA-N 1 0 213.365 2.419 10 0 BEAERO COCc1nc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000643808334 385299226 /nfs/dbraw/zinc/29/92/26/385299226.db2.gz ILCOLAIHLJBCGS-ILWJIGKKSA-N 1 0 238.356 2.178 10 0 BEAERO C[C@H](Cc1ccccc1)[NH+]1CCC(O)CC1 ZINC000409424423 385332190 /nfs/dbraw/zinc/33/21/90/385332190.db2.gz VBQDQYAYUYEVHJ-GFCCVEGCSA-N 1 0 219.328 2.074 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccco1 ZINC000167997386 385344882 /nfs/dbraw/zinc/34/48/82/385344882.db2.gz DWJBXTWYWORZSJ-QJPTWQEYSA-N 1 0 223.316 2.481 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CCSCC1 ZINC000309014752 385368833 /nfs/dbraw/zinc/36/88/33/385368833.db2.gz TYTMCNPOVHLZLG-HOSYDEDBSA-N 1 0 229.389 2.285 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)C1CCSCC1 ZINC000309014753 385369340 /nfs/dbraw/zinc/36/93/40/385369340.db2.gz TYTMCNPOVHLZLG-JBLDHEPKSA-N 1 0 229.389 2.285 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)[C@H]1C ZINC000309016158 385370442 /nfs/dbraw/zinc/37/04/42/385370442.db2.gz ZPNVYKJNVQPBLQ-SJHCENCUSA-N 1 0 211.349 2.172 10 0 BEAERO COC[C@H]1CCCC[N@H+](C[C@@](C)(O)C(C)C)C1 ZINC000364357358 385383717 /nfs/dbraw/zinc/38/37/17/385383717.db2.gz RLUUSMDZFQRTIR-UONOGXRCSA-N 1 0 243.391 2.142 10 0 BEAERO C[C@H]1CN(c2nccc3ccccc32)CC[C@@H]1[NH3+] ZINC000168735930 385384505 /nfs/dbraw/zinc/38/45/05/385384505.db2.gz LKWJWZVEVOQPMU-FZMZJTMJSA-N 1 0 241.338 2.408 10 0 BEAERO [NH3+][C@H](c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000062775759 385415941 /nfs/dbraw/zinc/41/59/41/385415941.db2.gz OWSADGTXTKDODN-JTQLQIEISA-N 1 0 207.664 2.111 10 0 BEAERO Cc1csc([C@@H]2CCC[N@@H+](C[C@@H](C)O)C2)n1 ZINC000194952082 385453897 /nfs/dbraw/zinc/45/38/97/385453897.db2.gz ANESQSSBBBQUOF-GHMZBOCLSA-N 1 0 240.372 2.012 10 0 BEAERO C[C@H]1C[C@@](O)(c2ccsc2)CC[N@@H+]1C ZINC000156794667 385469697 /nfs/dbraw/zinc/46/96/97/385469697.db2.gz SQMXRNSICPZYLX-GXSJLCMTSA-N 1 0 211.330 2.050 10 0 BEAERO CCCCN1CCO[C@@H](c2nccs2)C1 ZINC000171139103 385470370 /nfs/dbraw/zinc/47/03/70/385470370.db2.gz WUYZSBFUECGHEM-SNVBAGLBSA-N 1 0 226.345 2.317 10 0 BEAERO C[NH2+][C@@H](C)c1coc(Br)c1 ZINC000257824162 385500273 /nfs/dbraw/zinc/50/02/73/385500273.db2.gz FEFQKDOORRRLHD-YFKPBYRVSA-N 1 0 204.067 2.323 10 0 BEAERO Cc1nc(CN2CCS[C@@H](C)C2)oc1C ZINC000171687699 385507192 /nfs/dbraw/zinc/50/71/92/385507192.db2.gz MWNQXVJTKLHWPO-QMMMGPOBSA-N 1 0 226.345 2.229 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccccc1OC(F)(F)F ZINC000036779062 385533570 /nfs/dbraw/zinc/53/35/70/385533570.db2.gz AUDYKSHDAJALTJ-PSASIEDQSA-N 1 0 249.232 2.356 10 0 BEAERO CC(C)N(C)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309335018 385534151 /nfs/dbraw/zinc/53/41/51/385534151.db2.gz IUWLNTUSETVYNW-CHWSQXEVSA-N 1 0 230.371 2.445 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccccc1Br ZINC000036779355 385535420 /nfs/dbraw/zinc/53/54/20/385535420.db2.gz GMEAVCSSYXSQLK-VHSXEESVSA-N 1 0 244.132 2.220 10 0 BEAERO CCOC(=O)c1cccc([C@H]2CC[N@H+](C)C2)c1 ZINC000259524264 385546618 /nfs/dbraw/zinc/54/66/18/385546618.db2.gz PWEBFCFMPWUSRL-ZDUSSCGKSA-N 1 0 233.311 2.282 10 0 BEAERO CC1([NH3+])CCN(c2ncnc3ccsc32)CC1 ZINC000643028676 385523806 /nfs/dbraw/zinc/52/38/06/385523806.db2.gz RYCMNAFTACIONG-UHFFFAOYSA-N 1 0 248.355 2.009 10 0 BEAERO COc1ccc(COC2CC[NH2+]CC2)cc1F ZINC000036963166 385593666 /nfs/dbraw/zinc/59/36/66/385593666.db2.gz MOGGHAAUYCUQSG-UHFFFAOYSA-N 1 0 239.290 2.103 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037164542 385597967 /nfs/dbraw/zinc/59/79/67/385597967.db2.gz FZAABRAAHNYLIW-MNOVXSKESA-N 1 0 241.281 2.358 10 0 BEAERO CCSCC[NH2+]C[C@@H]1CCCN1CC(C)C ZINC000309479637 385605471 /nfs/dbraw/zinc/60/54/71/385605471.db2.gz SQEDSNRSTCRUNQ-ZDUSSCGKSA-N 1 0 244.448 2.450 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)[C@H]1CCCO1 ZINC000251544279 385625655 /nfs/dbraw/zinc/62/56/55/385625655.db2.gz PHAXSFRYJUURLX-OPQQBVKSSA-N 1 0 238.306 2.439 10 0 BEAERO CCSCC[NH2+][C@H](C)CN(CC)CC ZINC000128935217 385635431 /nfs/dbraw/zinc/63/54/31/385635431.db2.gz JNBPSCQGCAAHRE-LLVKDONJSA-N 1 0 218.410 2.059 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cn1cccn1 ZINC000336734573 385664896 /nfs/dbraw/zinc/66/48/96/385664896.db2.gz NIMVMJKLJOBKSA-IJLUTSLNSA-N 1 0 207.321 2.050 10 0 BEAERO Cc1sccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000293552774 385640816 /nfs/dbraw/zinc/64/08/16/385640816.db2.gz LJJPCEOJPAFKHF-VXGBXAGGSA-N 1 0 225.357 2.307 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000055421700 385641694 /nfs/dbraw/zinc/64/16/94/385641694.db2.gz GCHJACGBYJOBAW-LLVKDONJSA-N 1 0 220.316 2.158 10 0 BEAERO CCCc1nc2ccccc2n1CCC[NH3+] ZINC000057798946 385650825 /nfs/dbraw/zinc/65/08/25/385650825.db2.gz QWISRUHYZXWNBG-UHFFFAOYSA-N 1 0 217.316 2.338 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)[C@@H]1CCCO1 ZINC000309531078 385666269 /nfs/dbraw/zinc/66/62/69/385666269.db2.gz DIVSGARZIJVGBW-LOWDOPEQSA-N 1 0 227.348 2.101 10 0 BEAERO COC(=O)[C@@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000260087749 385666304 /nfs/dbraw/zinc/66/63/04/385666304.db2.gz NUVJXJVXWVBKGB-SNVBAGLBSA-N 1 0 213.321 2.060 10 0 BEAERO C[C@@H](O)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000211131721 385672716 /nfs/dbraw/zinc/67/27/16/385672716.db2.gz WWCIGOCMFGSMSY-NOZJJQNGSA-N 1 0 223.291 2.174 10 0 BEAERO CC[C@@H]([NH2+]CCc1cnccn1)C(C)(C)C ZINC000336735808 385716982 /nfs/dbraw/zinc/71/69/82/385716982.db2.gz MCUJJTWOLAMJHR-GFCCVEGCSA-N 1 0 221.348 2.433 10 0 BEAERO CC[C@H](Cn1cncn1)[NH2+][C@H](CC)C(C)C ZINC000336735807 385717454 /nfs/dbraw/zinc/71/74/54/385717454.db2.gz MCMYKJPWWCLLKU-VXGBXAGGSA-N 1 0 224.352 2.081 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccsc1Cl ZINC000307443675 385688270 /nfs/dbraw/zinc/68/82/70/385688270.db2.gz UNZJVYIKKNWKGA-IONNQARKSA-N 1 0 230.764 2.323 10 0 BEAERO C[C@@]1(c2ccccc2Br)C[C@@H]1[NH3+] ZINC000052126197 385699913 /nfs/dbraw/zinc/69/99/13/385699913.db2.gz IZDIAOOMGGLPNZ-UWVGGRQHSA-N 1 0 226.117 2.438 10 0 BEAERO CSCCCC[NH2+][C@@H](C)Cn1cccn1 ZINC000122659920 385713080 /nfs/dbraw/zinc/71/30/80/385713080.db2.gz OBGBSUQFCKZSKJ-NSHDSACASA-N 1 0 227.377 2.004 10 0 BEAERO CC[C@@H](Cn1cncn1)[NH2+][C@@H](CC)C(C)C ZINC000336735806 385716278 /nfs/dbraw/zinc/71/62/78/385716278.db2.gz MCMYKJPWWCLLKU-RYUDHWBXSA-N 1 0 224.352 2.081 10 0 BEAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000309524343 385667971 /nfs/dbraw/zinc/66/79/71/385667971.db2.gz AWLLNUWPEWNQJE-NWDGAFQWSA-N 1 0 221.348 2.222 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCc2nccn2C1)C(C)(C)C ZINC000309590592 385720739 /nfs/dbraw/zinc/72/07/39/385720739.db2.gz UQGVLJGMZVYRLK-MNOVXSKESA-N 1 0 221.348 2.222 10 0 BEAERO CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647209 385723992 /nfs/dbraw/zinc/72/39/92/385723992.db2.gz DDXRIJXBUDRIDC-FRRDWIJNSA-N 1 0 238.375 2.166 10 0 BEAERO CC[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647289 385724094 /nfs/dbraw/zinc/72/40/94/385724094.db2.gz AZVFZJVQZQKOTH-FRRDWIJNSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309599098 385726522 /nfs/dbraw/zinc/72/65/22/385726522.db2.gz XDEHWCNQUQWVAF-YMEQNVIZSA-N 1 0 249.395 2.261 10 0 BEAERO CCCn1cc(C[NH2+]C2CCCC2)cn1 ZINC000116912020 385804588 /nfs/dbraw/zinc/80/45/88/385804588.db2.gz YIBCZMALVUHOMH-UHFFFAOYSA-N 1 0 207.321 2.325 10 0 BEAERO CC[C@]1(C(=O)c2cocc2C)CC[NH2+]C1 ZINC000306812477 385804820 /nfs/dbraw/zinc/80/48/20/385804820.db2.gz ZINSCHMBLUPXST-LBPRGKRZSA-N 1 0 207.273 2.160 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000336714496 385809504 /nfs/dbraw/zinc/80/95/04/385809504.db2.gz RYXAIYDLCSUGRW-MNOVXSKESA-N 1 0 243.301 2.426 10 0 BEAERO CC[C@H]([NH2+]CC1([S@](C)=O)CC1)C(C)(C)C ZINC000336740405 385811245 /nfs/dbraw/zinc/81/12/45/385811245.db2.gz UKGGDQNVNAFBEC-BONVTDFDSA-N 1 0 231.405 2.312 10 0 BEAERO CC[C@H](COC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336738053 385828166 /nfs/dbraw/zinc/82/81/66/385828166.db2.gz NZIMLMZDRTZSRP-YVECIDJPSA-N 1 0 229.364 2.205 10 0 BEAERO Cc1c[nH]nc1CN[C@@H]1CCOc2ccccc21 ZINC000284024644 385847665 /nfs/dbraw/zinc/84/76/65/385847665.db2.gz LXXAWSOEBRHFMR-GFCCVEGCSA-N 1 0 243.310 2.332 10 0 BEAERO O=C(c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000215682972 385848262 /nfs/dbraw/zinc/84/82/62/385848262.db2.gz HKLFWQKLTVKUBC-UHFFFAOYSA-N 1 0 229.201 2.108 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336707295 385791978 /nfs/dbraw/zinc/79/19/78/385791978.db2.gz RRRVNZDCJNGZDZ-HXFLIBJXSA-N 1 0 223.238 2.094 10 0 BEAERO CC[C@@H]([NH2+][C@@H](CC)C1CC1)[C@H](O)C(F)(F)F ZINC000309693395 385794656 /nfs/dbraw/zinc/79/46/56/385794656.db2.gz KGYYNRRZCGGWAO-AEJSXWLSSA-N 1 0 239.281 2.466 10 0 BEAERO C[NH2+][C@H]1COC[C@H]1c1sccc1Cl ZINC000575532650 385885295 /nfs/dbraw/zinc/88/52/95/385885295.db2.gz WZOWXGFUPVKQCO-SVRRBLITSA-N 1 0 217.721 2.103 10 0 BEAERO Clc1ccc(CO[C@@H]2CC[NH2+]C2)s1 ZINC000051782469 385915164 /nfs/dbraw/zinc/91/51/64/385915164.db2.gz ONKFPKGVPPSJSB-SSDOTTSWSA-N 1 0 217.721 2.280 10 0 BEAERO CCNC(=[NH2+])c1cc(F)c(F)c(F)c1 ZINC000062994616 385916856 /nfs/dbraw/zinc/91/68/56/385916856.db2.gz HYCSWKQXDNAXGX-UHFFFAOYSA-N 1 0 202.179 2.039 10 0 BEAERO CNC(=[NH2+])Cc1c(F)cccc1Cl ZINC000062994518 385918097 /nfs/dbraw/zinc/91/80/97/385918097.db2.gz SOIHZOIEGSWGSJ-UHFFFAOYSA-N 1 0 200.644 2.218 10 0 BEAERO Nc1ccc(S[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051784215 385919779 /nfs/dbraw/zinc/91/97/79/385919779.db2.gz XDCRCFOZJYVZPW-QMMMGPOBSA-N 1 0 228.748 2.376 10 0 BEAERO C[C@H](O)CCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336767872 385930446 /nfs/dbraw/zinc/93/04/46/385930446.db2.gz SVCKJYDYRRNWOB-SDDRHHMPSA-N 1 0 217.328 2.265 10 0 BEAERO Clc1nccc(NCC[NH+]2CCCCC2)n1 ZINC000051849990 385957268 /nfs/dbraw/zinc/95/72/68/385957268.db2.gz IIHYEPWXVHHJJD-UHFFFAOYSA-N 1 0 240.738 2.028 10 0 BEAERO [NH3+][C@H](CO)c1cc(F)c(Cl)c(Cl)c1 ZINC000072198485 385974539 /nfs/dbraw/zinc/97/45/39/385974539.db2.gz MAONIWMKZLWVRN-SSDOTTSWSA-N 1 0 224.062 2.125 10 0 BEAERO CCOC(=O)[C@H]1CCC[N@@H+](C(C)(C)C)CC1 ZINC000261002243 386001281 /nfs/dbraw/zinc/00/12/81/386001281.db2.gz SYKSMLLBNWFFMT-NSHDSACASA-N 1 0 227.348 2.450 10 0 BEAERO CCOC(=O)c1ccccc1[C@@H]1CCC[NH2+]C1 ZINC000261276133 386015026 /nfs/dbraw/zinc/01/50/26/386015026.db2.gz MVGKBORJABJRTK-LLVKDONJSA-N 1 0 233.311 2.330 10 0 BEAERO CN1CCC([NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000336771303 386033209 /nfs/dbraw/zinc/03/32/09/386033209.db2.gz ULEZIZFQPPZNCD-DGCLKSJQSA-N 1 0 228.355 2.199 10 0 BEAERO C[C@H]([NH3+])c1cnc(-c2ccncc2)s1 ZINC000054159290 386112698 /nfs/dbraw/zinc/11/26/98/386112698.db2.gz QJJRTXALWSPHIW-ZETCQYMHSA-N 1 0 205.286 2.225 10 0 BEAERO Clc1cnc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051868456 386121101 /nfs/dbraw/zinc/12/11/01/386121101.db2.gz ZYEFRTVHPNXEFQ-SSDOTTSWSA-N 1 0 233.098 2.129 10 0 BEAERO C[C@@H]1C[C@@]([NH3+])(c2ccsc2Cl)CO1 ZINC000575564591 386060052 /nfs/dbraw/zinc/06/00/52/386060052.db2.gz GKXMIKLAYPLGQU-MUWHJKNJSA-N 1 0 217.721 2.364 10 0 BEAERO COCc1ccc(C[NH2+][C@@H](COC)C2CC2)cc1 ZINC000124467663 386061375 /nfs/dbraw/zinc/06/13/75/386061375.db2.gz FZKFPSSWKAEWRA-HNNXBMFYSA-N 1 0 249.354 2.348 10 0 BEAERO CCCN(CC(C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000310079513 386077042 /nfs/dbraw/zinc/07/70/42/386077042.db2.gz CDYSWOPFPZHXBD-ZDUSSCGKSA-N 1 0 240.391 2.271 10 0 BEAERO C[C@]([NH3+])(CO)c1ccc(Cl)c(Cl)c1 ZINC000038124605 386123247 /nfs/dbraw/zinc/12/32/47/386123247.db2.gz PXFDDQFAVXOSBL-VIFPVBQESA-N 1 0 220.099 2.160 10 0 BEAERO CC(C)([NH3+])[C@H](O)c1sccc1Cl ZINC000307199817 386219832 /nfs/dbraw/zinc/21/98/32/386219832.db2.gz BPCFXPUQEUHIGT-SSDOTTSWSA-N 1 0 205.710 2.172 10 0 BEAERO CC[C@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CCO1 ZINC000226148826 386238668 /nfs/dbraw/zinc/23/86/68/386238668.db2.gz FUFIOKMXZPWJQG-LSDHHAIUSA-N 1 0 249.354 2.005 10 0 BEAERO C[C@H]1CN[C@@H](c2cncc(Cl)c2)S1 ZINC000575576251 386192479 /nfs/dbraw/zinc/19/24/79/386192479.db2.gz LNFWOJRBDXOZPB-IMTBSYHQSA-N 1 0 214.721 2.459 10 0 BEAERO Fc1cccc(C[NH+]2CCSCC2)c1 ZINC000575191245 386303478 /nfs/dbraw/zinc/30/34/78/386303478.db2.gz UIDQOWUCQRYIJB-UHFFFAOYSA-N 1 0 210.297 2.188 10 0 BEAERO CC[C@@H]([NH2+]CC(C)(C)OCCO)C(C)(C)C ZINC000336731809 386325112 /nfs/dbraw/zinc/32/51/12/386325112.db2.gz JBFABTUNBDVSOY-LLVKDONJSA-N 1 0 231.380 2.188 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)c(C)c1 ZINC000647944148 386272144 /nfs/dbraw/zinc/27/21/44/386272144.db2.gz TVJQJCCHFUXPMS-RWMBFGLXSA-N 1 0 246.354 2.218 10 0 BEAERO C[C@@H](O)CC[NH+]1CCC(c2nccs2)CC1 ZINC000336688868 386355115 /nfs/dbraw/zinc/35/51/15/386355115.db2.gz YXXXBYCLQLXJHC-SNVBAGLBSA-N 1 0 240.372 2.093 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366344859 386378451 /nfs/dbraw/zinc/37/84/51/386378451.db2.gz GHBKJDLETQDCFW-OBJOEFQTSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccccc1F ZINC000399164007 386427560 /nfs/dbraw/zinc/42/75/60/386427560.db2.gz CQFSDOCEJYZTSL-JQWIXIFHSA-N 1 0 223.291 2.171 10 0 BEAERO C[C@H](CCCC[NH3+])Nc1ncnc2c1CCCC2 ZINC000310796509 386430896 /nfs/dbraw/zinc/43/08/96/386430896.db2.gz WDASIVACJWLLKO-LLVKDONJSA-N 1 0 248.374 2.285 10 0 BEAERO [NH3+]Cc1ccc2c(c1)ncn2CC(F)(F)F ZINC000328579595 386529366 /nfs/dbraw/zinc/52/93/66/386529366.db2.gz QMJNTGCBCOUFQX-UHFFFAOYSA-N 1 0 229.205 2.057 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H](C)CO ZINC000135285732 386499401 /nfs/dbraw/zinc/49/94/01/386499401.db2.gz FULDWSFHBXENKB-VXGBXAGGSA-N 1 0 233.355 2.282 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CCOCC3)[C@@H]1C ZINC000336733245 386508198 /nfs/dbraw/zinc/50/81/98/386508198.db2.gz GKXFZUCXEXXCPK-LPWJVIDDSA-N 1 0 223.360 2.437 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000519613924 386511834 /nfs/dbraw/zinc/51/18/34/386511834.db2.gz NLMSQBBXOWQJIH-FVCCEPFGSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1cccs1 ZINC000399218034 386456799 /nfs/dbraw/zinc/45/67/99/386456799.db2.gz BAIYQTIRDMGEIX-GZMMTYOYSA-N 1 0 238.356 2.053 10 0 BEAERO CC(C)C1(C[N@@H+]2CCN3CCC[C@H]3C2)CC1 ZINC000300363281 386591370 /nfs/dbraw/zinc/59/13/70/386591370.db2.gz HFMLJOMUEUCRRP-ZDUSSCGKSA-N 1 0 222.376 2.203 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc2ccccc2[nH]1 ZINC000320571682 386621841 /nfs/dbraw/zinc/62/18/41/386621841.db2.gz SKWIDEKRINGKPB-RKDXNWHRSA-N 1 0 218.304 2.101 10 0 BEAERO CCN(CC)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336782298 386628019 /nfs/dbraw/zinc/62/80/19/386628019.db2.gz XEZSSLDFOGGOPB-CHWSQXEVSA-N 1 0 230.371 2.446 10 0 BEAERO CCC[C@@H](C(=O)NC(CC)CC)[NH+](C)C ZINC000179333083 386638042 /nfs/dbraw/zinc/63/80/42/386638042.db2.gz KVUNCJXWEQDSDC-NSHDSACASA-N 1 0 214.353 2.022 10 0 BEAERO CCC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[NH+](C)C ZINC000179333245 386641252 /nfs/dbraw/zinc/64/12/52/386641252.db2.gz UBAIIVGKYKHYTJ-RWMBFGLXSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@@H]1CC2(CCC2)C[N@@H+]1CCC(C)(C)O ZINC000335521340 386662008 /nfs/dbraw/zinc/66/20/08/386662008.db2.gz QSCHSPIDYMOHGZ-LLVKDONJSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H]([NH3+])c1csc(N(C)C(C)(C)C)n1 ZINC000306681255 386664745 /nfs/dbraw/zinc/66/47/45/386664745.db2.gz NMTFTOSOCLJGMK-SSDOTTSWSA-N 1 0 213.350 2.398 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000124887396 386670845 /nfs/dbraw/zinc/67/08/45/386670845.db2.gz GIXREZWGTOHKIR-OLZOCXBDSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCN(CC)C1)C1CCC1 ZINC000324882961 386679078 /nfs/dbraw/zinc/67/90/78/386679078.db2.gz DUIHIFDPPCDISI-QWHCGFSZSA-N 1 0 210.365 2.249 10 0 BEAERO C1CC1N1CCC[C@H]1c1nc([C@@H]2CCCO2)no1 ZINC000329572846 386710836 /nfs/dbraw/zinc/71/08/36/386710836.db2.gz JGUFPMHJUJPZSZ-QWRGUYRKSA-N 1 0 249.314 2.220 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccs1 ZINC000295113406 386692436 /nfs/dbraw/zinc/69/24/36/386692436.db2.gz WKJAITHCKNLPGD-KOLCDFICSA-N 1 0 211.330 2.093 10 0 BEAERO C[NH+](C)C[C@@H](NCc1cocn1)c1ccccc1 ZINC000192281860 386752737 /nfs/dbraw/zinc/75/27/37/386752737.db2.gz NWUCQCCWKHEDRT-CQSZACIVSA-N 1 0 245.326 2.067 10 0 BEAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396589031 386779058 /nfs/dbraw/zinc/77/90/58/386779058.db2.gz SLMLYLKXUWLUMH-OBJOEFQTSA-N 1 0 218.344 2.478 10 0 BEAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000114484089 386784228 /nfs/dbraw/zinc/78/42/28/386784228.db2.gz MIPMHIUCNIFMTH-STQMWFEESA-N 1 0 235.331 2.116 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCC12CCC2 ZINC000336761846 386785313 /nfs/dbraw/zinc/78/53/13/386785313.db2.gz NQLZUOWBAUWRLL-MNOVXSKESA-N 1 0 211.349 2.316 10 0 BEAERO C[C@]([NH3+])(c1cnsc1)c1cccs1 ZINC000575454245 386833423 /nfs/dbraw/zinc/83/34/23/386833423.db2.gz RXYYBIQTWZIURC-VIFPVBQESA-N 1 0 210.327 2.427 10 0 BEAERO [NH3+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000051548122 386834878 /nfs/dbraw/zinc/83/48/78/386834878.db2.gz HOVMYCCQLQLBEQ-UHFFFAOYSA-N 1 0 218.231 2.472 10 0 BEAERO COC1(C[N@@H+]2C[C@H]3CCC[C@@H]32)CCCC1 ZINC000335709837 386843432 /nfs/dbraw/zinc/84/34/32/386843432.db2.gz QNUWEVPEWJFRKO-NEPJUHHUSA-N 1 0 209.333 2.430 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000335710240 386843818 /nfs/dbraw/zinc/84/38/18/386843818.db2.gz QGUIAIZXRMTCBU-KBPBESRZSA-N 1 0 241.375 2.040 10 0 BEAERO COC1(C[N@@H+]2C[C@H]3CCC[C@H]32)CCCC1 ZINC000335709840 386843914 /nfs/dbraw/zinc/84/39/14/386843914.db2.gz QNUWEVPEWJFRKO-VXGBXAGGSA-N 1 0 209.333 2.430 10 0 BEAERO FC(F)(F)CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334789322 386851479 /nfs/dbraw/zinc/85/14/79/386851479.db2.gz QNAGCGIRUPCMDO-NXEZZACHSA-N 1 0 249.276 2.440 10 0 BEAERO FC(F)(F)CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334789872 386852826 /nfs/dbraw/zinc/85/28/26/386852826.db2.gz QNAGCGIRUPCMDO-UWVGGRQHSA-N 1 0 249.276 2.440 10 0 BEAERO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000398699634 386953975 /nfs/dbraw/zinc/95/39/75/386953975.db2.gz SLOXQRJVPYSGAL-UMVBOHGHSA-N 1 0 245.366 2.277 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]CC2(O)CCCC2)C[C@H](C)O1 ZINC000518966279 386958593 /nfs/dbraw/zinc/95/85/93/386958593.db2.gz KAMLUZKMLQMXHG-CLLJXQQHSA-N 1 0 241.375 2.085 10 0 BEAERO CC1(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)CCC1 ZINC000398711698 386963047 /nfs/dbraw/zinc/96/30/47/386963047.db2.gz CYIMUOAJYYMYIK-YNEHKIRRSA-N 1 0 223.360 2.269 10 0 BEAERO CCc1cc(N2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000398736323 386975559 /nfs/dbraw/zinc/97/55/59/386975559.db2.gz DRNQAZQESARSDV-HUBLWGQQSA-N 1 0 246.354 2.241 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]2C1 ZINC000398689152 386949828 /nfs/dbraw/zinc/94/98/28/386949828.db2.gz BSNLWENZKBBQLW-IACUBPJLSA-N 1 0 249.329 2.419 10 0 BEAERO Brc1cnccc1/C=C1/CC[NH2+]C1 ZINC000575462370 387034628 /nfs/dbraw/zinc/03/46/28/387034628.db2.gz OPTFAJUBPODKDV-YVMONPNESA-N 1 0 239.116 2.221 10 0 BEAERO CSC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000228022186 387060798 /nfs/dbraw/zinc/06/07/98/387060798.db2.gz FYAFLHMTXFCZTF-MXWKQRLJSA-N 1 0 241.400 2.285 10 0 BEAERO [NH3+][C@H]1CCCN(c2cc(-c3cccs3)[nH]n2)C1 ZINC000070460160 387067509 /nfs/dbraw/zinc/06/75/09/387067509.db2.gz QNWZPOYHQINRBC-VIFPVBQESA-N 1 0 248.355 2.066 10 0 BEAERO Cc1ccc(CN2Cc3ccoc3C[C@@H]2CO)o1 ZINC000575407912 387009184 /nfs/dbraw/zinc/00/91/84/387009184.db2.gz PHFPJLMJMWWSKI-GFCCVEGCSA-N 1 0 247.294 2.100 10 0 BEAERO Cc1[nH+]ccc(N[C@@H](C)CF)c1Cl ZINC000575577131 387029165 /nfs/dbraw/zinc/02/91/65/387029165.db2.gz CDRGSQDNZZRCPR-LURJTMIESA-N 1 0 202.660 2.235 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000020137936 387074844 /nfs/dbraw/zinc/07/48/44/387074844.db2.gz SFFMBBXXDZABAI-CMPLNLGQSA-N 1 0 233.311 2.215 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H]2CCO[C@H]21 ZINC000228114134 387076068 /nfs/dbraw/zinc/07/60/68/387076068.db2.gz HWWVCZSOBVLAKT-YVECIDJPSA-N 1 0 221.344 2.498 10 0 BEAERO Cc1ncsc1[C@@H](F)[C@H]1CCC[NH2+]1 ZINC000575469241 387089772 /nfs/dbraw/zinc/08/97/72/387089772.db2.gz OQZZUCYQDRIPSA-SFYZADRCSA-N 1 0 200.282 2.214 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])CC(F)F)c1 ZINC000575437465 387106320 /nfs/dbraw/zinc/10/63/20/387106320.db2.gz GGUAZWXNEROOEY-VIFPVBQESA-N 1 0 231.242 2.359 10 0 BEAERO COc1cc([C@H]([NH3+])CC(F)F)ccc1O ZINC000575437513 387108481 /nfs/dbraw/zinc/10/84/81/387108481.db2.gz IAFBHDBCJVWQDE-SSDOTTSWSA-N 1 0 217.215 2.056 10 0 BEAERO COc1ccc([C@H]([NH3+])CC(F)F)cc1F ZINC000575437516 387108531 /nfs/dbraw/zinc/10/85/31/387108531.db2.gz ICBAIXVSBZVKPE-MRVPVSSYSA-N 1 0 219.206 2.489 10 0 BEAERO COc1ccc([C@@H]([NH3+])CC(F)F)cc1F ZINC000575437522 387109057 /nfs/dbraw/zinc/10/90/57/387109057.db2.gz ICBAIXVSBZVKPE-QMMMGPOBSA-N 1 0 219.206 2.489 10 0 BEAERO CC(=O)Nc1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575437826 387111054 /nfs/dbraw/zinc/11/10/54/387111054.db2.gz VSUHTHQNVJAEEV-JTQLQIEISA-N 1 0 228.242 2.300 10 0 BEAERO [NH3+][C@H](CCF)c1ccc2c(c1)OC(F)(F)O2 ZINC000575438105 387113047 /nfs/dbraw/zinc/11/30/47/387113047.db2.gz DVWICAVUOPMPTL-SSDOTTSWSA-N 1 0 233.189 2.368 10 0 BEAERO COc1cccc(OC)c1[C@H]([NH3+])CCF ZINC000575438868 387119818 /nfs/dbraw/zinc/11/98/18/387119818.db2.gz DKTXNPRCONTLOP-MRVPVSSYSA-N 1 0 213.252 2.063 10 0 BEAERO CN(CC[NH2+]C1CCOCC1)C1CCCCC1 ZINC000062767607 387123497 /nfs/dbraw/zinc/12/34/97/387123497.db2.gz STLQALYIJFMVEH-UHFFFAOYSA-N 1 0 240.391 2.020 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])CCF)c1 ZINC000575439536 387124311 /nfs/dbraw/zinc/12/43/11/387124311.db2.gz FHXPCQUIBIKPIO-JTQLQIEISA-N 1 0 213.252 2.063 10 0 BEAERO COc1cc(F)c([C@H]([NH3+])CCF)cc1OC ZINC000575439712 387126289 /nfs/dbraw/zinc/12/62/89/387126289.db2.gz VJNGZIHOLVGCFG-SECBINFHSA-N 1 0 231.242 2.202 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000220133846 387157457 /nfs/dbraw/zinc/15/74/57/387157457.db2.gz QBUUWTOQROJVNZ-LBPRGKRZSA-N 1 0 205.301 2.408 10 0 BEAERO CC1(C)Cc2onc(C[NH3+])c2C(C)(C)C1 ZINC000168324338 387157959 /nfs/dbraw/zinc/15/79/59/387157959.db2.gz MBODEOJJCDGGJB-UHFFFAOYSA-N 1 0 208.305 2.383 10 0 BEAERO C[C@@H]1C[C@H](c2ccccc2)C[C@@H](O)[N@@H+]1C ZINC000536949842 387161219 /nfs/dbraw/zinc/16/12/19/387161219.db2.gz GMAAEVUSVBNALE-KGYLQXTDSA-N 1 0 205.301 2.203 10 0 BEAERO C[C@@H]1C[C@H](c2cccs2)C[C@H](O)[N@@H+]1C ZINC000536949699 387161274 /nfs/dbraw/zinc/16/12/74/387161274.db2.gz DLPLKOFQAYXVOD-YWVKMMECSA-N 1 0 211.330 2.264 10 0 BEAERO C[C@H]1CC[C@@H]([NH3+])CN1CC=C(Cl)Cl ZINC000575480110 387169361 /nfs/dbraw/zinc/16/93/61/387169361.db2.gz HDHFLOPSYGJJEA-JGVFFNPUSA-N 1 0 223.147 2.117 10 0 BEAERO CC/C=C/CC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187157963 387173839 /nfs/dbraw/zinc/17/38/39/387173839.db2.gz LVRPATNCAQCQSS-SNAWJCMRSA-N 1 0 248.374 2.196 10 0 BEAERO C/C(=C\Cl)C[C@@]1([NH3+])CCOC1(C)C ZINC000575479308 387175154 /nfs/dbraw/zinc/17/51/54/387175154.db2.gz YQWBMDWEECTJDS-JARNTUPDSA-N 1 0 203.713 2.416 10 0 BEAERO [NH3+][C@@H](CCF)c1ccc(O)c(Cl)c1 ZINC000575440355 387140716 /nfs/dbraw/zinc/14/07/16/387140716.db2.gz PLZMVWIEEYLPBU-QMMMGPOBSA-N 1 0 203.644 2.405 10 0 BEAERO C[C@H]1CCN1c1c(N)c[nH+]cc1Br ZINC000575591174 387205730 /nfs/dbraw/zinc/20/57/30/387205730.db2.gz NHFHCILPBGKDFP-LURJTMIESA-N 1 0 242.120 2.025 10 0 BEAERO Cc1cnc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000300416683 387210348 /nfs/dbraw/zinc/21/03/48/387210348.db2.gz RVADKEMFZHADDY-XQQFMLRXSA-N 1 0 249.358 2.260 10 0 BEAERO CC1(C)C[C@@]1([NH3+])c1ccncc1Br ZINC000575592896 387219316 /nfs/dbraw/zinc/21/93/16/387219316.db2.gz YRWWAQLVVNTFFX-SNVBAGLBSA-N 1 0 241.132 2.428 10 0 BEAERO CO[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000292057034 387229811 /nfs/dbraw/zinc/22/98/11/387229811.db2.gz BJMSTQXGOJDMMR-MRVWCRGKSA-N 1 0 235.327 2.141 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000120500021 387248953 /nfs/dbraw/zinc/24/89/53/387248953.db2.gz YLRWLWPFPJLPDN-RRUOHSGJSA-N 1 0 237.368 2.483 10 0 BEAERO CCC[C@@H](C(=O)NCC1(C)CCCC1)[NH+](C)C ZINC000162068624 387312467 /nfs/dbraw/zinc/31/24/67/387312467.db2.gz AOYVPVDJFXWMAM-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO CC(C)(O)CC[N@@H+]1CCC[C@H]1c1nccs1 ZINC000371874545 387255766 /nfs/dbraw/zinc/25/57/66/387255766.db2.gz NKKJJKCMZJEABM-JTQLQIEISA-N 1 0 240.372 2.441 10 0 BEAERO C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1CC=CCC1 ZINC000120652004 387260403 /nfs/dbraw/zinc/26/04/03/387260403.db2.gz RGXSZCOCXAEWHN-LBPRGKRZSA-N 1 0 238.375 2.189 10 0 BEAERO COC(=O)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000353897772 387292374 /nfs/dbraw/zinc/29/23/74/387292374.db2.gz JIZVZVURQVZJIK-TZMCWYRMSA-N 1 0 245.322 2.458 10 0 BEAERO COC(=O)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000353897765 387292983 /nfs/dbraw/zinc/29/29/83/387292983.db2.gz JIZVZVURQVZJIK-JSGCOSHPSA-N 1 0 245.322 2.458 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)C1CCCCC1 ZINC000392931356 387302653 /nfs/dbraw/zinc/30/26/53/387302653.db2.gz KORGKMYCPOYDEY-LOWVWBTDSA-N 1 0 238.375 2.212 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2ccc(Br)s2)C1 ZINC000575507937 387368970 /nfs/dbraw/zinc/36/89/70/387368970.db2.gz JHCLPPWHFSSSCV-PHDIDXHHSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2cc(Br)cs2)C1 ZINC000575507993 387371402 /nfs/dbraw/zinc/37/14/02/387371402.db2.gz JOKIEYNLXJGJTM-NKWVEPMBSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2cscc2Br)C1 ZINC000575506854 387374687 /nfs/dbraw/zinc/37/46/87/387374687.db2.gz CEMOEQFLPDKARR-XNCJUZBTSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2ccc(Cl)s2)C1 ZINC000575507479 387375409 /nfs/dbraw/zinc/37/54/09/387375409.db2.gz HSUGMWLWTPQTJQ-NTSWFWBYSA-N 1 0 203.694 2.190 10 0 BEAERO C[NH2+]C1CC(c2ccc(Br)cn2)C1 ZINC000575498897 387343700 /nfs/dbraw/zinc/34/37/00/387343700.db2.gz AUJAXKRALXELQB-UHFFFAOYSA-N 1 0 241.132 2.310 10 0 BEAERO C[C@H]1C[C@@]2(CC(=O)CO2)C[N@@H+]1Cc1ccccc1 ZINC000575500836 387348248 /nfs/dbraw/zinc/34/82/48/387348248.db2.gz XQLUEJIOSCQJQY-SWLSCSKDSA-N 1 0 245.322 2.009 10 0 BEAERO CCOc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668924 387430694 /nfs/dbraw/zinc/43/06/94/387430694.db2.gz VYQKUVSMIQQDCG-KGLIPLIRSA-N 1 0 249.354 2.431 10 0 BEAERO CCOc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)cc1 ZINC000352674287 387431986 /nfs/dbraw/zinc/43/19/86/387431986.db2.gz PHSHPHSXKDDKFG-CABCVRRESA-N 1 0 249.354 2.431 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@]1(F)c1cncs1 ZINC000575517710 387434060 /nfs/dbraw/zinc/43/40/60/387434060.db2.gz HVRZXNDAOKXSKQ-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO CSC1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCC1 ZINC000304276697 387456729 /nfs/dbraw/zinc/45/67/29/387456729.db2.gz LNEXPTWEUYEASQ-VXGBXAGGSA-N 1 0 243.416 2.413 10 0 BEAERO O[C@H](c1ccsc1Cl)[C@@H]1CC[NH2+]C1 ZINC000575512774 387386030 /nfs/dbraw/zinc/38/60/30/387386030.db2.gz GDIYGLUAOTWSLW-SVRRBLITSA-N 1 0 217.721 2.044 10 0 BEAERO O[C@@H](c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000575513478 387387793 /nfs/dbraw/zinc/38/77/93/387387793.db2.gz AXCLQDLJARAKFS-IMTBSYHQSA-N 1 0 217.721 2.044 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2cccc(Br)c2)C1 ZINC000575508728 387392355 /nfs/dbraw/zinc/39/23/55/387392355.db2.gz OAKUKSVXDBNLPI-VHSXEESVSA-N 1 0 242.116 2.238 10 0 BEAERO CCCC(CCC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000121680663 387392854 /nfs/dbraw/zinc/39/28/54/387392854.db2.gz SSEABFFGVUMHDJ-CYBMUJFWSA-N 1 0 240.391 2.365 10 0 BEAERO [NH3+]C1CC([C@H](O)c2ccsc2Cl)C1 ZINC000575517480 387417804 /nfs/dbraw/zinc/41/78/04/387417804.db2.gz NYPNOJPOIPRKPP-QIECLKSESA-N 1 0 217.721 2.172 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396813148 387499475 /nfs/dbraw/zinc/49/94/75/387499475.db2.gz DQSUOPMLAHTVDM-OLZOCXBDSA-N 1 0 242.407 2.120 10 0 BEAERO C[C@H]1COC[C@H](C)[NH+]1CCN(C)c1ccccc1 ZINC000085822375 387503774 /nfs/dbraw/zinc/50/37/74/387503774.db2.gz MUDNRFIAIBATPH-KBPBESRZSA-N 1 0 248.370 2.232 10 0 BEAERO CCOC[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000122371214 387517183 /nfs/dbraw/zinc/51/71/83/387517183.db2.gz RQUHBKWTKCADBJ-PWSUYJOCSA-N 1 0 221.300 2.135 10 0 BEAERO C[NH2+][C@H]1CCCN([C@H](C)c2cccs2)C1 ZINC000053201184 387532361 /nfs/dbraw/zinc/53/23/61/387532361.db2.gz ZNEGBTJZMXSFAT-MNOVXSKESA-N 1 0 224.373 2.493 10 0 BEAERO COC(=O)CCC[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000374550703 387465929 /nfs/dbraw/zinc/46/59/29/387465929.db2.gz TXNCOCOHOBUHKX-VXGBXAGGSA-N 1 0 225.332 2.204 10 0 BEAERO COc1ccc(C)cc1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400810551 387468889 /nfs/dbraw/zinc/46/88/89/387468889.db2.gz YEJDGFZEBRYUCD-NWDGAFQWSA-N 1 0 234.343 2.414 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCN[C@@H]1C)C1CCC1 ZINC000396687432 387482143 /nfs/dbraw/zinc/48/21/43/387482143.db2.gz YXPZYEATHKVIPP-WXHSDQCUSA-N 1 0 210.365 2.295 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CSC[C@H]1C ZINC000304555652 387492992 /nfs/dbraw/zinc/49/29/92/387492992.db2.gz VCTTVTUUBPDLPU-UPJWGTAASA-N 1 0 244.448 2.304 10 0 BEAERO Br/C=C1/CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000575543839 387592807 /nfs/dbraw/zinc/59/28/07/387592807.db2.gz BALBKHUDFDBXQW-QNVIJMGISA-N 1 0 216.122 2.285 10 0 BEAERO CC1(C)C/C(=C/Br)CC[NH2+]1 ZINC000575544388 387594732 /nfs/dbraw/zinc/59/47/32/387594732.db2.gz FAIPJLOTLXOWRD-VOTSOKGWSA-N 1 0 204.111 2.427 10 0 BEAERO CC(C)CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122861860 387608506 /nfs/dbraw/zinc/60/85/06/387608506.db2.gz RSOOPLJDFOUJNC-CHWSQXEVSA-N 1 0 240.391 2.364 10 0 BEAERO C/C(=C\Br)C1CC[NH2+]CC1 ZINC000575544794 387626989 /nfs/dbraw/zinc/62/69/89/387626989.db2.gz HXCUAEXXNVUWMN-VOTSOKGWSA-N 1 0 204.111 2.285 10 0 BEAERO C[NH2+][C@@H]1COC[C@@H]1c1ccc(Cl)s1 ZINC000575532535 387550776 /nfs/dbraw/zinc/55/07/76/387550776.db2.gz WJDSNLUNLRMHIB-NKWVEPMBSA-N 1 0 217.721 2.103 10 0 BEAERO CC[C@H](COC)[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000122585060 387552928 /nfs/dbraw/zinc/55/29/28/387552928.db2.gz INEDFMQRJOZKJT-YNEHKIRRSA-N 1 0 229.364 2.062 10 0 BEAERO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)C1(C)CC1 ZINC000036902902 387558140 /nfs/dbraw/zinc/55/81/40/387558140.db2.gz JGHZMGFGFWTZFE-SNVBAGLBSA-N 1 0 232.327 2.064 10 0 BEAERO C/C(=C\Br)C[C@@H]1CCC[NH2+]1 ZINC000575545721 387630699 /nfs/dbraw/zinc/63/06/99/387630699.db2.gz NITZKISXSFNTQU-CZEYKFRCSA-N 1 0 204.111 2.427 10 0 BEAERO C[C@H]1Oc2c(ccc(F)c2Br)[C@@H]1[NH3+] ZINC000575547394 387640774 /nfs/dbraw/zinc/64/07/74/387640774.db2.gz ZFLLGBLNEBTUDJ-SPGJFGJESA-N 1 0 246.079 2.369 10 0 BEAERO [NH3+]C1(c2ccsc2Cl)CSC1 ZINC000575548634 387645001 /nfs/dbraw/zinc/64/50/01/387645001.db2.gz GAYAOYASRHTMKB-UHFFFAOYSA-N 1 0 205.735 2.302 10 0 BEAERO [NH3+]C1(Cc2csc(Cl)c2)CSC1 ZINC000575549985 387649364 /nfs/dbraw/zinc/64/93/64/387649364.db2.gz PEDZJEVSSXQLRI-UHFFFAOYSA-N 1 0 219.762 2.388 10 0 BEAERO [NH3+]C1(c2ccc(Cl)cc2F)CSC1 ZINC000575550744 387654648 /nfs/dbraw/zinc/65/46/48/387654648.db2.gz VXNOEACRDOYAJT-UHFFFAOYSA-N 1 0 217.696 2.380 10 0 BEAERO CC(C)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123140983 387658046 /nfs/dbraw/zinc/65/80/46/387658046.db2.gz YZCQQDMLKAWQCE-CHWSQXEVSA-N 1 0 212.381 2.447 10 0 BEAERO COC[C@H]([NH2+][C@@H](CC(C)C)CN(C)C)C(C)C ZINC000126354664 387680840 /nfs/dbraw/zinc/68/08/40/387680840.db2.gz YRUFFUJZWDHKAW-KBPBESRZSA-N 1 0 244.423 2.223 10 0 BEAERO COC[C@H]([NH2+]CCOC1CCCCC1)C1CC1 ZINC000126512433 387685516 /nfs/dbraw/zinc/68/55/16/387685516.db2.gz YPEFIZQDRNIBRX-AWEZNQCLSA-N 1 0 241.375 2.350 10 0 BEAERO c1cn(CCC[NH2+]CCC2CCCCC2)nn1 ZINC000126588505 387688171 /nfs/dbraw/zinc/68/81/71/387688171.db2.gz CMPQOTUFONZGFZ-UHFFFAOYSA-N 1 0 236.363 2.228 10 0 BEAERO Cc1nc([C@@]2([NH3+])CCCSC2)cs1 ZINC000575554886 387692764 /nfs/dbraw/zinc/69/27/64/387692764.db2.gz HTSNLCFAWPPCGC-SECBINFHSA-N 1 0 214.359 2.133 10 0 BEAERO Cn1cc([C@H]2CC[N@H+](CC(C)(C)C)C2)cn1 ZINC000128544272 387750126 /nfs/dbraw/zinc/75/01/26/387750126.db2.gz QDYIFRCQDALHBY-NSHDSACASA-N 1 0 221.348 2.256 10 0 BEAERO C[C@H]1CS[C@@H](c2ccncc2Cl)N1 ZINC000575557456 387698482 /nfs/dbraw/zinc/69/84/82/387698482.db2.gz UOQOFEGMZFVVKM-RCOVLWMOSA-N 1 0 214.721 2.459 10 0 BEAERO C[C@H]1CSC[C@]1([NH3+])Cc1ccsc1 ZINC000575560569 387699054 /nfs/dbraw/zinc/69/90/54/387699054.db2.gz JXNCOGLOPBCUCY-WCBMZHEXSA-N 1 0 213.371 2.371 10 0 BEAERO Cc1ccc(C[N@@H+]2CCCC[C@H](CO)C2)o1 ZINC000377236842 387703987 /nfs/dbraw/zinc/70/39/87/387703987.db2.gz GSNARFXNCPDEPI-LBPRGKRZSA-N 1 0 223.316 2.182 10 0 BEAERO CC[C@](C)([NH3+])c1cncc(Br)c1 ZINC000575562404 387704467 /nfs/dbraw/zinc/70/44/67/387704467.db2.gz ZPLGRPUCXHEZDH-VIFPVBQESA-N 1 0 229.121 2.428 10 0 BEAERO CCOCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045169947 387705962 /nfs/dbraw/zinc/70/59/62/387705962.db2.gz IRUBMKZJGUUBLC-JTQLQIEISA-N 1 0 239.363 2.207 10 0 BEAERO C[C@@H]1C[C@]([NH3+])(c2sccc2Cl)CO1 ZINC000575564197 387706130 /nfs/dbraw/zinc/70/61/30/387706130.db2.gz DGPGGJGOOLXYQX-HZGVNTEJSA-N 1 0 217.721 2.364 10 0 BEAERO CCCn1cc(C[N@H+](C)C2CCC2)cn1 ZINC000127454222 387714284 /nfs/dbraw/zinc/71/42/84/387714284.db2.gz GSWFARGKPKHTOO-UHFFFAOYSA-N 1 0 207.321 2.277 10 0 BEAERO C[C@H]1COC[C@]1([NH3+])c1ccsc1Cl ZINC000575573299 387755579 /nfs/dbraw/zinc/75/55/79/387755579.db2.gz WSVOSOPBGOYRHM-IMTBSYHQSA-N 1 0 217.721 2.222 10 0 BEAERO CC(C)(C[NH2+]CC1CC(O)C1)c1ccccc1 ZINC000527816097 387735709 /nfs/dbraw/zinc/73/57/09/387735709.db2.gz BXZOSOZMBZESDK-UHFFFAOYSA-N 1 0 233.355 2.325 10 0 BEAERO C[C@@H]1SCCC[C@@]1([NH3+])c1cncs1 ZINC000575567514 387736301 /nfs/dbraw/zinc/73/63/01/387736301.db2.gz YAAVYLBVCXTDDN-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO [NH3+][C@H](c1ncsc1Br)C1CC1 ZINC000575571041 387739932 /nfs/dbraw/zinc/73/99/32/387739932.db2.gz SLWIBANEZOONOM-YFKPBYRVSA-N 1 0 233.134 2.315 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN1Cc2ccccc2C1 ZINC000050912690 387795463 /nfs/dbraw/zinc/79/54/63/387795463.db2.gz KLQTXXBZBIFISH-CQSZACIVSA-N 1 0 218.344 2.376 10 0 BEAERO OCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC000133077944 387797532 /nfs/dbraw/zinc/79/75/32/387797532.db2.gz FYTXHUJJIROWJR-UHFFFAOYSA-N 1 0 211.330 2.000 10 0 BEAERO C[C@@H](N[C@@H](C)C1C[NH2+]C1)c1cc(F)ccc1F ZINC000643458843 387829248 /nfs/dbraw/zinc/82/92/48/387829248.db2.gz XCBBAJBERKIRRI-DTWKUNHWSA-N 1 0 240.297 2.223 10 0 BEAERO C[C@H](N[C@@H](C)C1C[NH2+]C1)c1cc(F)ccc1F ZINC000643458844 387829623 /nfs/dbraw/zinc/82/96/23/387829623.db2.gz XCBBAJBERKIRRI-IUCAKERBSA-N 1 0 240.297 2.223 10 0 BEAERO CCOC(=O)[C@@H](C)[N@H+](C)CC1(C)CCC1 ZINC000432836228 387833186 /nfs/dbraw/zinc/83/31/86/387833186.db2.gz SURDFVXZDDWEHQ-SNVBAGLBSA-N 1 0 213.321 2.060 10 0 BEAERO Cc1cc(C)c([C@H](O)C[NH2+]C2CC2)cc1C ZINC000071521930 177875413 /nfs/dbraw/zinc/87/54/13/177875413.db2.gz PANSVVXBBVOYDI-CQSZACIVSA-N 1 0 219.328 2.397 10 0 BEAERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C(C)C ZINC000167640996 387867941 /nfs/dbraw/zinc/86/79/41/387867941.db2.gz HLXJBQMITAAHIU-WDEREUQCSA-N 1 0 201.354 2.418 10 0 BEAERO c1nnc([C@@H]2CCC[N@@H+](C3CCC3)C2)n1C1CC1 ZINC000194728619 387893445 /nfs/dbraw/zinc/89/34/45/387893445.db2.gz ZPJPECYRBLRSAN-LLVKDONJSA-N 1 0 246.358 2.345 10 0 BEAERO C[NH2+][C@H]1CCCCN(Cc2ccccc2)C1 ZINC000036460133 387877897 /nfs/dbraw/zinc/87/78/97/387877897.db2.gz URJHONVAMMIWCR-AWEZNQCLSA-N 1 0 218.344 2.261 10 0 BEAERO [NH3+]C[C@H](CO)Cc1ccc(-c2ccccc2)cc1 ZINC000019387369 387905302 /nfs/dbraw/zinc/90/53/02/387905302.db2.gz BTANOWRULBFTTO-CQSZACIVSA-N 1 0 241.334 2.463 10 0 BEAERO CCCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195068402 387905648 /nfs/dbraw/zinc/90/56/48/387905648.db2.gz USECLDCNNDVVKX-CYBMUJFWSA-N 1 0 238.375 2.263 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000195219566 387910335 /nfs/dbraw/zinc/91/03/35/387910335.db2.gz ATQHXNQQTLCGKU-ZDUSSCGKSA-N 1 0 241.375 2.040 10 0 BEAERO COc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396634953 387926196 /nfs/dbraw/zinc/92/61/96/387926196.db2.gz KCSMBQDUQCVQRJ-YWPYICTPSA-N 1 0 248.370 2.486 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000245513946 387953014 /nfs/dbraw/zinc/95/30/14/387953014.db2.gz DXZPDHYXZIXDHB-AGIUHOORSA-N 1 0 248.374 2.009 10 0 BEAERO Cc1cc(C(=O)[C@@H]2CCC[NH2+]2)ccc1F ZINC000011630663 177825975 /nfs/dbraw/zinc/82/59/75/177825975.db2.gz AGECOYPWOGLZNW-NSHDSACASA-N 1 0 207.248 2.069 10 0 BEAERO C[N@H+](CC1CCC1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245395258 387943900 /nfs/dbraw/zinc/94/39/00/387943900.db2.gz ZKZKVLMENCYWPD-HUUCEWRRSA-N 1 0 231.339 2.377 10 0 BEAERO Cc1cc(C(C)(C)C)ccc1O[C@H]1C[NH2+]C[C@@H]1O ZINC000104231012 177828578 /nfs/dbraw/zinc/82/85/78/177828578.db2.gz NXLNYEJCWQMAHL-JSGCOSHPSA-N 1 0 249.354 2.004 10 0 BEAERO C[NH2+][C@H]1CC[S@@](=O)c2c(Cl)cccc21 ZINC000040974068 387977974 /nfs/dbraw/zinc/97/79/74/387977974.db2.gz DBJCJGYVONEIKQ-XPTSAGLGSA-N 1 0 229.732 2.112 10 0 BEAERO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)CCS1 ZINC000245856617 387987833 /nfs/dbraw/zinc/98/78/33/387987833.db2.gz NRJBWVMLOLHGON-LERXQTSPSA-N 1 0 249.379 2.082 10 0 BEAERO CC1(C[NH2+]Cc2cn3c(n2)CCCC3)CC1 ZINC000309657989 388000929 /nfs/dbraw/zinc/00/09/29/388000929.db2.gz AIUOFCSKLHVTHZ-UHFFFAOYSA-N 1 0 219.332 2.109 10 0 BEAERO CCSCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246181180 388016870 /nfs/dbraw/zinc/01/68/70/388016870.db2.gz ROPNMUIYZYGDFC-NEPJUHHUSA-N 1 0 229.389 2.383 10 0 BEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2C2CC2)cc1 ZINC000083936352 388068115 /nfs/dbraw/zinc/06/81/15/388068115.db2.gz JJYHDCNNXAHTMS-AWEZNQCLSA-N 1 0 244.338 2.160 10 0 BEAERO Cc1cc(C)c(C)c([C@H](O)[C@@H](C)[NH3+])c1C ZINC000071510746 388095941 /nfs/dbraw/zinc/09/59/41/388095941.db2.gz VHYBPWKHGQEMRG-DGCLKSJQSA-N 1 0 207.317 2.301 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=O)c1ccc(F)cc1F ZINC000071518690 388097218 /nfs/dbraw/zinc/09/72/18/388097218.db2.gz GULNORRRFJLEPB-SNVBAGLBSA-N 1 0 213.227 2.131 10 0 BEAERO O=C1CC[NH2+]C[C@@H]1Cc1cccc(Cl)c1 ZINC000071531462 388097374 /nfs/dbraw/zinc/09/73/74/388097374.db2.gz OJGOOQYBJXTGHN-JTQLQIEISA-N 1 0 223.703 2.061 10 0 BEAERO CCCn1cc(C[N@H+](C)[C@@H]2CCSC2)cn1 ZINC000130556921 388099749 /nfs/dbraw/zinc/09/97/49/388099749.db2.gz PITXSNDBBFAKKC-GFCCVEGCSA-N 1 0 239.388 2.230 10 0 BEAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CO ZINC000086616791 388104110 /nfs/dbraw/zinc/10/41/10/388104110.db2.gz NLMNYDRKJZCPKP-NEPJUHHUSA-N 1 0 237.343 2.364 10 0 BEAERO Cc1cccc(C2CC([NH2+]C[C@@H](C)CO)C2)c1 ZINC000086624355 388104564 /nfs/dbraw/zinc/10/45/64/388104564.db2.gz WLQFBHUYYUANNP-LRVUVFPRSA-N 1 0 233.355 2.459 10 0 BEAERO Cc1cc(CC(=O)C2CC[NH2+]CC2)cs1 ZINC000306667687 388112517 /nfs/dbraw/zinc/11/25/17/388112517.db2.gz JRCBYXYRAYMZJO-UHFFFAOYSA-N 1 0 223.341 2.168 10 0 BEAERO CCC[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000646220548 388167785 /nfs/dbraw/zinc/16/77/85/388167785.db2.gz HKNDWUKWVCFLSF-CHWSQXEVSA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)C[S@](=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000250560038 388177177 /nfs/dbraw/zinc/17/71/77/388177177.db2.gz HEQMCYLYFXIGIF-SUNKGSAMSA-N 1 0 217.378 2.051 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000165036206 388250080 /nfs/dbraw/zinc/25/00/80/388250080.db2.gz NBGGFFGTABLERX-CABZTGNLSA-N 1 0 209.289 2.050 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1c(C)cc(C)cc1C ZINC000036779173 388261085 /nfs/dbraw/zinc/26/10/85/388261085.db2.gz ISJRURNCXLQADV-AAEUAGOBSA-N 1 0 207.317 2.383 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)o1 ZINC000400528572 388371147 /nfs/dbraw/zinc/37/11/47/388371147.db2.gz GSPWZYLKDNRJAA-NWDGAFQWSA-N 1 0 238.331 2.450 10 0 BEAERO Cc1ccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000335043104 388448124 /nfs/dbraw/zinc/44/81/24/388448124.db2.gz NEOYCZOFRSECLX-NWDGAFQWSA-N 1 0 204.317 2.405 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1c1nc(C(C)(C)C)no1 ZINC000335456192 388451032 /nfs/dbraw/zinc/45/10/32/388451032.db2.gz JPCHNWMYTUMBDN-DTWKUNHWSA-N 1 0 223.320 2.223 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c(C)n1 ZINC000335597203 388451372 /nfs/dbraw/zinc/45/13/72/388451372.db2.gz PDEZRVGDWLNRTR-PWSUYJOCSA-N 1 0 247.342 2.025 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000336722108 388468774 /nfs/dbraw/zinc/46/87/74/388468774.db2.gz DROXBHPYNXFWLN-NEPJUHHUSA-N 1 0 226.364 2.023 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCC(=O)N(C)C ZINC000336722114 388469279 /nfs/dbraw/zinc/46/92/79/388469279.db2.gz DROXBHPYNXFWLN-NWDGAFQWSA-N 1 0 226.364 2.023 10 0 BEAERO Cc1cc(C[N@H+]2CCC[C@H](O)[C@H]2C)cs1 ZINC000295095643 388409284 /nfs/dbraw/zinc/40/92/84/388409284.db2.gz UHLXWADDQLSXSZ-PWSUYJOCSA-N 1 0 225.357 2.402 10 0 BEAERO CCCC[C@H](CC)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079519497 388538448 /nfs/dbraw/zinc/53/84/48/388538448.db2.gz GUDZXAOOCIRBHZ-JSGCOSHPSA-N 1 0 240.391 2.461 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ncccc1Cl ZINC000528511133 388538400 /nfs/dbraw/zinc/53/84/00/388538400.db2.gz CPWOEWQOFNCCRG-PSASIEDQSA-N 1 0 226.707 2.002 10 0 BEAERO Cc1cc(C(=O)N(CCC[NH3+])C(C)C)c(C)o1 ZINC000034960091 177745017 /nfs/dbraw/zinc/74/50/17/177745017.db2.gz UZJKOTVRTFOGID-UHFFFAOYSA-N 1 0 238.331 2.096 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@@H]1CC1(C)C ZINC000397599339 388482037 /nfs/dbraw/zinc/48/20/37/388482037.db2.gz LIMHIMMGZGTYIM-AGIUHOORSA-N 1 0 224.392 2.495 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)[C@@H]1CC1(C)C ZINC000397599340 388482684 /nfs/dbraw/zinc/48/26/84/388482684.db2.gz LIMHIMMGZGTYIM-AVGNSLFASA-N 1 0 224.392 2.495 10 0 BEAERO CC(C)C1([NH2+]CC(=O)NCc2ccccc2)CC1 ZINC000339507359 388483760 /nfs/dbraw/zinc/48/37/60/388483760.db2.gz AKSRKQYGSJCNTA-UHFFFAOYSA-N 1 0 246.354 2.081 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)[C@@H]1CC1(C)C ZINC000397631468 388486001 /nfs/dbraw/zinc/48/60/01/388486001.db2.gz URYMQSPSDDZWOC-FIQHERPVSA-N 1 0 238.375 2.068 10 0 BEAERO CC[C@H]([NH2+][C@@H](CCOC)COC)[C@@H]1CC1(C)C ZINC000397645097 388487344 /nfs/dbraw/zinc/48/73/44/388487344.db2.gz ZKJNNLMOUBBDGL-AVGNSLFASA-N 1 0 243.391 2.452 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1nncn1C)[C@H]1CC1(C)C ZINC000397653099 388488257 /nfs/dbraw/zinc/48/82/57/388488257.db2.gz BBBYWYLLJUXIAM-AXFHLTTASA-N 1 0 236.363 2.290 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000135282053 388489141 /nfs/dbraw/zinc/48/91/41/388489141.db2.gz WZTYJBVXHGUXAG-RWMBFGLXSA-N 1 0 238.375 2.295 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000397801854 388500182 /nfs/dbraw/zinc/50/01/82/388500182.db2.gz MRTONOGBCPYHPC-GRYCIOLGSA-N 1 0 210.365 2.105 10 0 BEAERO CCC[C@H](C(=O)N(C)C[C@@H](C)CC)[NH+](C)C ZINC000178658659 388502685 /nfs/dbraw/zinc/50/26/85/388502685.db2.gz UWICGRZRBHIKJF-NWDGAFQWSA-N 1 0 228.380 2.221 10 0 BEAERO CCC[C@@H](C(=O)N(CC)CC(C)C)[NH+](C)C ZINC000135787759 388508031 /nfs/dbraw/zinc/50/80/31/388508031.db2.gz UNGSNNPJUDUUJO-LBPRGKRZSA-N 1 0 228.380 2.221 10 0 BEAERO CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)nc1 ZINC000345102974 388511120 /nfs/dbraw/zinc/51/11/20/388511120.db2.gz OUTMESNILOSISL-FZMZJTMJSA-N 1 0 234.343 2.301 10 0 BEAERO CCC[C@]1([NH2+]C[C@H]2CCC[C@H](O)C2)CCOC1 ZINC000378832080 388517376 /nfs/dbraw/zinc/51/73/76/388517376.db2.gz KNLULHNUUSJTSK-IHRRRGAJSA-N 1 0 241.375 2.086 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCN[C@@H]1C ZINC000398161378 388518079 /nfs/dbraw/zinc/51/80/79/388518079.db2.gz IGIRFHSTGMGVRR-NQBHXWOUSA-N 1 0 210.365 2.295 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000245543957 388588510 /nfs/dbraw/zinc/58/85/10/388588510.db2.gz TWFVIIDCKGFSCG-LEWSCRJBSA-N 1 0 219.328 2.280 10 0 BEAERO N[C@]1(c2ccccc2)CC[C@H]2CCC[N@@H+]2C1 ZINC000091690797 388592296 /nfs/dbraw/zinc/59/22/96/388592296.db2.gz LXQAPKLETBYZPR-ZIAGYGMSSA-N 1 0 216.328 2.099 10 0 BEAERO [NH3+][C@@H]1CCc2ccccc2N[C@H]1OC(F)(F)F ZINC000521399918 256863128 /nfs/dbraw/zinc/86/31/28/256863128.db2.gz CARBKHQRJKPUBY-SCZZXKLOSA-N 1 0 246.232 2.235 10 0 BEAERO C[C@@H](C[N@@H+]1CC[C@H](CCO)C1)c1ccccc1 ZINC000357836590 388553632 /nfs/dbraw/zinc/55/36/32/388553632.db2.gz JECWUJWJFCJNGM-UONOGXRCSA-N 1 0 233.355 2.494 10 0 BEAERO C[C@H](C[N@@H+]1CC[C@H](CCO)C1)c1ccccc1 ZINC000357836592 388554029 /nfs/dbraw/zinc/55/40/29/388554029.db2.gz JECWUJWJFCJNGM-ZIAGYGMSSA-N 1 0 233.355 2.494 10 0 BEAERO CC(C)[C@@](C)(O)C[NH+]1CC2(C1)CCCC2 ZINC000364488251 388563961 /nfs/dbraw/zinc/56/39/61/388563961.db2.gz UFJDXPJDYNAWTB-LBPRGKRZSA-N 1 0 211.349 2.269 10 0 BEAERO CCCCC[C@@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367625991 388565193 /nfs/dbraw/zinc/56/51/93/388565193.db2.gz MFPWQQDLXOINQX-LPWJVIDDSA-N 1 0 211.349 2.437 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000367688884 388566485 /nfs/dbraw/zinc/56/64/85/388566485.db2.gz NQAXWFVHQBWDSS-FIQHERPVSA-N 1 0 221.300 2.131 10 0 BEAERO C([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1[C@H]2COC[C@H]21 ZINC000367628255 388566523 /nfs/dbraw/zinc/56/65/23/388566523.db2.gz WGYAKRCUYOTUKD-SKYNWFJDSA-N 1 0 247.382 2.293 10 0 BEAERO CCCCN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245421710 388577522 /nfs/dbraw/zinc/57/75/22/388577522.db2.gz ICICYQRKRQMHNS-CHWSQXEVSA-N 1 0 210.365 2.345 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC000124706947 388665594 /nfs/dbraw/zinc/66/55/94/388665594.db2.gz DCRQAWDEEQNBIU-NEPJUHHUSA-N 1 0 221.348 2.479 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@H]1CCCC1(C)C ZINC000191851317 388671559 /nfs/dbraw/zinc/67/15/59/388671559.db2.gz RSFKRTHYJJUMTD-NSHDSACASA-N 1 0 236.363 2.275 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]CCCn2ccnn2)c1 ZINC000125601566 388673519 /nfs/dbraw/zinc/67/35/19/388673519.db2.gz UTRGIOKTXNDCNO-ZDUSSCGKSA-N 1 0 244.342 2.327 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000248373165 388676042 /nfs/dbraw/zinc/67/60/42/388676042.db2.gz GWSPMQCRTHVQOC-PWSUYJOCSA-N 1 0 237.347 2.431 10 0 BEAERO Cc1c[nH+]c(NC(=O)OC(C)(C)C)cc1N ZINC000066054940 388680549 /nfs/dbraw/zinc/68/05/49/388680549.db2.gz HAISJOBSNUFUEW-UHFFFAOYSA-N 1 0 223.276 2.319 10 0 BEAERO C[C@H](C[N@@H+]1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189307852 388630480 /nfs/dbraw/zinc/63/04/80/388630480.db2.gz GYEPVWRKOLATKG-CHWSQXEVSA-N 1 0 246.354 2.001 10 0 BEAERO CCC[C@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000189342804 388631347 /nfs/dbraw/zinc/63/13/47/388631347.db2.gz QRXZBDRMXJWFHI-STQMWFEESA-N 1 0 236.363 2.179 10 0 BEAERO Cc1nnc(C[NH2+]C2C3CC4CC(C3)CC2C4)[nH]1 ZINC000328791716 388646252 /nfs/dbraw/zinc/64/62/52/388646252.db2.gz RAGXZHOIRSBLFP-UHFFFAOYSA-N 1 0 246.358 2.027 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246995684 388656627 /nfs/dbraw/zinc/65/66/27/388656627.db2.gz KJLAUFJWZIBWII-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@]1(c2cncc(Br)c2)CC[NH2+]1 ZINC000575453889 388751673 /nfs/dbraw/zinc/75/16/73/388751673.db2.gz OOMDXLZZYYBJRQ-VIFPVBQESA-N 1 0 227.105 2.053 10 0 BEAERO C[C@]([NH3+])(c1ccsc1)c1cscn1 ZINC000575453877 388752674 /nfs/dbraw/zinc/75/26/74/388752674.db2.gz IVKNYRNPUYDSDX-VIFPVBQESA-N 1 0 210.327 2.427 10 0 BEAERO C[C@@H]1C[C@@H](c2ccncc2Br)C[NH2+]1 ZINC000575454022 388754422 /nfs/dbraw/zinc/75/44/22/388754422.db2.gz ORPZAHBJXVDPTC-HTQZYQBOSA-N 1 0 241.132 2.310 10 0 BEAERO CCCn1cc(C[NH2+]C2(C)CCC2)cn1 ZINC000126159594 388689217 /nfs/dbraw/zinc/68/92/17/388689217.db2.gz DEWIAEZRGDKVFS-UHFFFAOYSA-N 1 0 207.321 2.325 10 0 BEAERO CC(C)[N@H+](C[C@H](O)COC(C)(C)C)C1CC1 ZINC000193045004 388691358 /nfs/dbraw/zinc/69/13/58/388691358.db2.gz BOJSNGNPBAWIAT-LBPRGKRZSA-N 1 0 229.364 2.035 10 0 BEAERO CCCC[C@H](CC)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248946574 388700623 /nfs/dbraw/zinc/70/06/23/388700623.db2.gz CJYMNLNAYMLKAM-OLZOCXBDSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccoc2)c1 ZINC000127253027 388718205 /nfs/dbraw/zinc/71/82/05/388718205.db2.gz LDHUSNBYTKSALX-NSHDSACASA-N 1 0 219.288 2.135 10 0 BEAERO C[C@@H](O)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000127649049 388728240 /nfs/dbraw/zinc/72/82/40/388728240.db2.gz DUAGJFWLKJBDTQ-MRVWCRGKSA-N 1 0 219.328 2.151 10 0 BEAERO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1cscn1 ZINC000127872129 388733383 /nfs/dbraw/zinc/73/33/83/388733383.db2.gz LYLQUUNWQQZZMP-KOLCDFICSA-N 1 0 228.361 2.201 10 0 BEAERO CC(C)[C@@H](CO)[NH2+]Cc1ccnc2ccccc12 ZINC000092393223 388803771 /nfs/dbraw/zinc/80/37/71/388803771.db2.gz ZRYIKVQTTWFEKU-OAHLLOKOSA-N 1 0 244.338 2.341 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000091425725 388762906 /nfs/dbraw/zinc/76/29/06/388762906.db2.gz UTMZHXGGRKAUGC-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO OC1CC(C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000091525714 388765136 /nfs/dbraw/zinc/76/51/36/388765136.db2.gz SEBUDQFCNJKQCL-UHFFFAOYSA-N 1 0 249.329 2.432 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cnccn1 ZINC000252730496 388776321 /nfs/dbraw/zinc/77/63/21/388776321.db2.gz LQJWFZFHHIIHQK-GMTAPVOTSA-N 1 0 205.305 2.316 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000129064591 388815039 /nfs/dbraw/zinc/81/50/39/388815039.db2.gz WUNMHMOMIAGRBW-RWMBFGLXSA-N 1 0 212.381 2.351 10 0 BEAERO [NH3+][C@@H]1CC[C@H]1Cc1ccncc1Br ZINC000575470598 388845959 /nfs/dbraw/zinc/84/59/59/388845959.db2.gz KNHOHOSWQMXGSN-WCBMZHEXSA-N 1 0 241.132 2.124 10 0 BEAERO O=C1CO[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575499399 388989826 /nfs/dbraw/zinc/98/98/26/388989826.db2.gz GSXQYWQEOHPLFD-OAHLLOKOSA-N 1 0 245.322 2.011 10 0 BEAERO C[C@@]1(c2cncc(Br)c2)C[C@H]1C[NH3+] ZINC000575499420 388989862 /nfs/dbraw/zinc/98/98/62/388989862.db2.gz KVFUASHOIJPDKG-WPRPVWTQSA-N 1 0 241.132 2.080 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1cc(C)cc(C)c1 ZINC000016945142 132323675 /nfs/dbraw/zinc/32/36/75/132323675.db2.gz DSJIVYOTQACWLA-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CSc1ccc(N2CCC([NH3+])CC2)cc1 ZINC000037483403 132344424 /nfs/dbraw/zinc/34/44/24/132344424.db2.gz AMHLJMHGFPLZRL-UHFFFAOYSA-N 1 0 222.357 2.336 10 0 BEAERO [NH3+][C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000041030229 132349164 /nfs/dbraw/zinc/34/91/64/132349164.db2.gz QVHOCLHCFGAPHJ-VIFPVBQESA-N 1 0 245.248 2.028 10 0 BEAERO Cc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000049709237 132357389 /nfs/dbraw/zinc/35/73/89/132357389.db2.gz NFFTWVNTJAJJIR-CHWSQXEVSA-N 1 0 218.344 2.477 10 0 BEAERO CC(C)C1([NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000339503950 166754704 /nfs/dbraw/zinc/75/47/04/166754704.db2.gz JJFLEJIFMXPPFA-JTQLQIEISA-N 1 0 226.364 2.068 10 0 BEAERO C(=C/c1ccccc1)\CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261568763 533353027 /nfs/dbraw/zinc/35/30/27/533353027.db2.gz JJNPIWZTIPLCKW-YOSLTCIPSA-N 1 0 242.366 2.241 10 0 BEAERO C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCC1 ZINC000179297144 533375370 /nfs/dbraw/zinc/37/53/70/533375370.db2.gz PJXGNUDHEZDKJO-AWEZNQCLSA-N 1 0 222.376 2.489 10 0 BEAERO COc1cccc(N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400721497 533620540 /nfs/dbraw/zinc/62/05/40/533620540.db2.gz GUFPVPFJMQRLMD-QWRGUYRKSA-N 1 0 220.316 2.105 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CC2CCCCC2)C1 ZINC000401919944 533670448 /nfs/dbraw/zinc/67/04/48/533670448.db2.gz WMGJBZYJNHXYDF-DGCLKSJQSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1ccsc1[C@H](C)[NH2+]CC1CC(O)C1 ZINC000084446510 322835164 /nfs/dbraw/zinc/83/51/64/322835164.db2.gz ZLDUPPAZEHYIOB-WHXUTIOJSA-N 1 0 225.357 2.478 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000084447238 322835768 /nfs/dbraw/zinc/83/57/68/322835768.db2.gz QTGBZLJDBOVSCW-OSOQGNGPSA-N 1 0 223.360 2.316 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000084447240 322835704 /nfs/dbraw/zinc/83/57/04/322835704.db2.gz QTGBZLJDBOVSCW-ATDZDNBSSA-N 1 0 223.360 2.316 10 0 BEAERO [NH3+]CC1CCN(c2ccc3ccccc3n2)CC1 ZINC000044514821 132224881 /nfs/dbraw/zinc/22/48/81/132224881.db2.gz MTWCWCLYBHPAFF-UHFFFAOYSA-N 1 0 241.338 2.410 10 0 BEAERO C[C@@H]1CN(c2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC000071533836 132308815 /nfs/dbraw/zinc/30/88/15/132308815.db2.gz YXFWZUYNMBMTKJ-MRVPVSSYSA-N 1 0 228.698 2.277 10 0 BEAERO COc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1F ZINC000083366178 132311141 /nfs/dbraw/zinc/31/11/41/132311141.db2.gz XGRGNQDAJWYOHZ-NXEZZACHSA-N 1 0 238.306 2.021 10 0 BEAERO COc1cc(Cl)c(C)cc1N1CC[NH2+]CC1 ZINC000011632571 132319929 /nfs/dbraw/zinc/31/99/29/132319929.db2.gz YNDIICIASNKDDT-UHFFFAOYSA-N 1 0 240.734 2.067 10 0 BEAERO CC[C@H]1CN(c2cc(C)cc(C)c2)CC[NH2+]1 ZINC000016944894 132323586 /nfs/dbraw/zinc/32/35/86/132323586.db2.gz QLVLUZMOZVFBMA-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1cc(C)cc(N2CCC([NH3+])CC2)c1 ZINC000019476063 132325512 /nfs/dbraw/zinc/32/55/12/132325512.db2.gz SAWPXLYLBKYDGV-UHFFFAOYSA-N 1 0 204.317 2.231 10 0 BEAERO Cc1cccc(N2CCC([NH3+])CC2)c1C ZINC000019489212 132325745 /nfs/dbraw/zinc/32/57/45/132325745.db2.gz DHEWABUZVMYYKQ-UHFFFAOYSA-N 1 0 204.317 2.231 10 0 BEAERO CC[C@@H](C)Oc1cccc(N2CC[NH2+]CC2)c1 ZINC000019688514 132326337 /nfs/dbraw/zinc/32/63/37/132326337.db2.gz XYXSUZJFXSVBJW-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO CC[C@H](C)[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265468 132330816 /nfs/dbraw/zinc/33/08/16/132330816.db2.gz GXLQHPJYBQVZGB-LBPRGKRZSA-N 1 0 233.359 2.189 10 0 BEAERO [NH3+]Cc1ccnc(N2CCc3ccccc3C2)c1 ZINC000022210556 132332616 /nfs/dbraw/zinc/33/26/16/132332616.db2.gz TVOTYWUXJQFIRK-UHFFFAOYSA-N 1 0 239.322 2.103 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(c2ccc(C[NH3+])cn2)C1 ZINC000022223007 132332638 /nfs/dbraw/zinc/33/26/38/132332638.db2.gz RGZWMSXFYOCTOO-GHMZBOCLSA-N 1 0 219.332 2.023 10 0 BEAERO c1cc(N2CCCCC2)ccc1NC1=[NH+]CCN1 ZINC000029133005 132334254 /nfs/dbraw/zinc/33/42/54/132334254.db2.gz AUUQHBKLKJSVFN-UHFFFAOYSA-N 1 0 244.342 2.048 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000034823443 132337045 /nfs/dbraw/zinc/33/70/45/132337045.db2.gz HBEHOZLIUVIFGE-LBPRGKRZSA-N 1 0 234.343 2.021 10 0 BEAERO Cc1ccc(N2CCC([NH+](C)C)CC2)c(N)c1 ZINC000036191126 132340454 /nfs/dbraw/zinc/34/04/54/132340454.db2.gz BJICWFBDWZYEMI-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO Cc1cc[nH+]c(N2CCCC[C@@H]2C)c1N ZINC000036245174 132341333 /nfs/dbraw/zinc/34/13/33/132341333.db2.gz UGIPVTSZEFJXDL-JTQLQIEISA-N 1 0 205.305 2.351 10 0 BEAERO CC(C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037186306 132343566 /nfs/dbraw/zinc/34/35/66/132343566.db2.gz MXTNDMNWSZJGGP-NSHDSACASA-N 1 0 218.300 2.092 10 0 BEAERO CC(C)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186806 132343645 /nfs/dbraw/zinc/34/36/45/132343645.db2.gz HMQKCSYQDWGDNG-GFCCVEGCSA-N 1 0 232.327 2.340 10 0 BEAERO CC[C@@H]1CCCCN1c1cc(C[NH3+])ccn1 ZINC000037082693 132343757 /nfs/dbraw/zinc/34/37/57/132343757.db2.gz IZBKITBRCWACJD-GFCCVEGCSA-N 1 0 219.332 2.309 10 0 BEAERO C[NH2+]C1CCN(c2cc(C)cc(C)c2)CC1 ZINC000037242016 132343892 /nfs/dbraw/zinc/34/38/92/132343892.db2.gz CCONHKWFCCGFKM-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1ccc2c(c1)CCCN2[C@H]1CCC[NH2+]C1 ZINC000037246750 132343907 /nfs/dbraw/zinc/34/39/07/132343907.db2.gz QTOKCVLCFGAUJI-AWEZNQCLSA-N 1 0 230.355 2.500 10 0 BEAERO C[C@]([NH3+])(C(=O)N1CCCc2ccccc21)C1CC1 ZINC000037614346 132345011 /nfs/dbraw/zinc/34/50/11/132345011.db2.gz QKKJEZPPEMFBPI-OAHLLOKOSA-N 1 0 244.338 2.093 10 0 BEAERO Cc1c(F)cccc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000043321351 132352954 /nfs/dbraw/zinc/35/29/54/132352954.db2.gz YUEKUVHRMWMROV-ONGXEEELSA-N 1 0 222.307 2.450 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2cc(N)cc[nH+]2)C1 ZINC000043567915 132353474 /nfs/dbraw/zinc/35/34/74/132353474.db2.gz AAKIZHHHWCNLKF-UWVGGRQHSA-N 1 0 205.305 2.146 10 0 BEAERO CC[NH2+]CCN1CCCc2ccccc21 ZINC000044380387 132354011 /nfs/dbraw/zinc/35/40/11/132354011.db2.gz VNXGGDJAVQCUGW-UHFFFAOYSA-N 1 0 204.317 2.049 10 0 BEAERO CN1c2ccccc2[C@@H]([NH2+][C@H]2CC2(C)C)CC1=O ZINC000045117715 132354828 /nfs/dbraw/zinc/35/48/28/132354828.db2.gz KYXXRDJWYPIYAZ-AAEUAGOBSA-N 1 0 244.338 2.482 10 0 BEAERO Cc1cc(F)ccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049708610 132357206 /nfs/dbraw/zinc/35/72/06/132357206.db2.gz CDTSHTOIAVOAER-PWSUYJOCSA-N 1 0 222.307 2.308 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1cc(F)cc(F)c1 ZINC000049709551 132357399 /nfs/dbraw/zinc/35/73/99/132357399.db2.gz DSCJOMKDNOBEOD-LDYMZIIASA-N 1 0 226.270 2.281 10 0 BEAERO Cc1cc(C)cc(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049709581 132357409 /nfs/dbraw/zinc/35/74/09/132357409.db2.gz BMCBWTOCNXTXLR-OCCSQVGLSA-N 1 0 218.344 2.477 10 0 BEAERO C[C@H]1CN(c2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000049710248 132357488 /nfs/dbraw/zinc/35/74/88/132357488.db2.gz WWXUBVFBVJUQEY-KWQFWETISA-N 1 0 226.270 2.138 10 0 BEAERO Cc1ccc(F)c(N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049710088 132357493 /nfs/dbraw/zinc/35/74/93/132357493.db2.gz DKZQXXLZDQEKLK-WDEREUQCSA-N 1 0 222.307 2.450 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000049709852 132357551 /nfs/dbraw/zinc/35/75/51/132357551.db2.gz QLWCSHGWBJWXGL-NEPJUHHUSA-N 1 0 234.343 2.272 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000049711470 132357644 /nfs/dbraw/zinc/35/76/44/132357644.db2.gz LOKYWIBDDRIPSH-WFASDCNBSA-N 1 0 247.386 2.187 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(N(C)C)cc1 ZINC000049711484 132357697 /nfs/dbraw/zinc/35/76/97/132357697.db2.gz QDBHHJFGTHCFNB-RYUDHWBXSA-N 1 0 233.359 2.069 10 0 BEAERO COCc1ccccc1N1CC[C@H]([NH3+])C[C@H]1C ZINC000049713801 132357841 /nfs/dbraw/zinc/35/78/41/132357841.db2.gz JRPZDJPHNJTAOK-YPMHNXCESA-N 1 0 234.343 2.149 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1cccc(F)c1F ZINC000049713153 132357849 /nfs/dbraw/zinc/35/78/49/132357849.db2.gz NTAKBWKHBVJJPM-RKDXNWHRSA-N 1 0 226.270 2.281 10 0 BEAERO C[C@@H](C[NH3+])CCN1CCCc2ccccc21 ZINC000049816965 132358094 /nfs/dbraw/zinc/35/80/94/132358094.db2.gz UMWAYVOGIQONAB-GFCCVEGCSA-N 1 0 218.344 2.424 10 0 BEAERO Cc1cc(CO)ccc1N1CC[NH+](C(C)C)CC1 ZINC000050560855 132359104 /nfs/dbraw/zinc/35/91/04/132359104.db2.gz GZWDSQGYNHHZON-UHFFFAOYSA-N 1 0 248.370 2.018 10 0 BEAERO CCCc1cc(NC)nc(N2CCCCC2)[nH+]1 ZINC000050850012 132359482 /nfs/dbraw/zinc/35/94/82/132359482.db2.gz KNGHNZHPPIYLIT-UHFFFAOYSA-N 1 0 234.347 2.461 10 0 BEAERO CC[C@@H]1CCCN(c2ccnc(C[NH3+])c2)C1 ZINC000051396977 132360282 /nfs/dbraw/zinc/36/02/82/132360282.db2.gz PEZNMLNJGDKOKU-LLVKDONJSA-N 1 0 219.332 2.167 10 0 BEAERO C[C@@H]1CCN(c2ccc(C[NH3+])cn2)[C@H](C)C1 ZINC000051728434 132361534 /nfs/dbraw/zinc/36/15/34/132361534.db2.gz WFHJVANNXOPTQU-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO C[NH2+]Cc1cccc(N2CC[C@@H](C)C[C@H]2C)n1 ZINC000051748713 132361787 /nfs/dbraw/zinc/36/17/87/132361787.db2.gz QJCNYVSDDAKGIA-VXGBXAGGSA-N 1 0 233.359 2.426 10 0 BEAERO C[C@@H]1CCN(c2ccnc(C[NH3+])c2)[C@H](C)C1 ZINC000051748752 132361848 /nfs/dbraw/zinc/36/18/48/132361848.db2.gz ULCKDFGMISZHEM-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO CC(C)C[NH2+]C[C@H]1CCCCN1c1cnccn1 ZINC000053700573 132363117 /nfs/dbraw/zinc/36/31/17/132363117.db2.gz ZPOADZRNBZXBGK-CYBMUJFWSA-N 1 0 248.374 2.081 10 0 BEAERO [NH3+]CCC1CCN(c2ccc(Cl)cn2)CC1 ZINC000053705652 132363343 /nfs/dbraw/zinc/36/33/43/132363343.db2.gz WDBXWOQYCYVYSL-UHFFFAOYSA-N 1 0 239.750 2.300 10 0 BEAERO C[C@@H]1CN(c2ccccc2Cl)CC[NH2+]1 ZINC000054348305 132364090 /nfs/dbraw/zinc/36/40/90/132364090.db2.gz JKUQCMILVKWXCT-SECBINFHSA-N 1 0 210.708 2.138 10 0 BEAERO CC[C@H](C)[NH+]1CCN(c2ccc(C)cc2N)CC1 ZINC000055066368 132365277 /nfs/dbraw/zinc/36/52/77/132365277.db2.gz ZWMKGODIAOHPFA-ZDUSSCGKSA-N 1 0 247.386 2.498 10 0 BEAERO CC[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000058111890 132368011 /nfs/dbraw/zinc/36/80/11/132368011.db2.gz ADYADMLNDYVSIN-LLVKDONJSA-N 1 0 218.300 2.005 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCN(c2ncc(C)cn2)C1 ZINC000063049340 132388366 /nfs/dbraw/zinc/38/83/66/132388366.db2.gz XAYHTWUWLPTRMC-ZDUSSCGKSA-N 1 0 248.374 2.001 10 0 BEAERO Cc1cccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c1C ZINC000071520947 132392577 /nfs/dbraw/zinc/39/25/77/132392577.db2.gz BZQKLSWQYMEVOD-RYUDHWBXSA-N 1 0 218.344 2.490 10 0 BEAERO CCc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000071520957 132392720 /nfs/dbraw/zinc/39/27/20/132392720.db2.gz NYHVVEPFTQKDJF-NEPJUHHUSA-N 1 0 218.344 2.436 10 0 BEAERO CCN(CC)c1ccc(N2CC[NH2+][C@H](C)C2)cc1 ZINC000071562500 132394595 /nfs/dbraw/zinc/39/45/95/132394595.db2.gz AJEFCNMKAWGPGD-CYBMUJFWSA-N 1 0 247.386 2.331 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cc(F)ccc1F ZINC000083085069 132419602 /nfs/dbraw/zinc/41/96/02/132419602.db2.gz ARJOFLNRWOILKM-DTWKUNHWSA-N 1 0 226.270 2.151 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccccc1OC ZINC000083361438 132422630 /nfs/dbraw/zinc/42/26/30/132422630.db2.gz VYBMEQJEBSUSAV-NWDGAFQWSA-N 1 0 234.343 2.272 10 0 BEAERO CC[C@H]1CN(c2nc(C)cc(C)n2)[C@@H](CC)C[NH2+]1 ZINC000083379635 132425998 /nfs/dbraw/zinc/42/59/98/132425998.db2.gz GZTVGQNRALOLQS-STQMWFEESA-N 1 0 248.374 2.060 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000103961791 132433936 /nfs/dbraw/zinc/43/39/36/132433936.db2.gz PHJNRKFOCAXDFD-BYCMXARLSA-N 1 0 246.354 2.464 10 0 BEAERO C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])C[C@@H](C)C1 ZINC000252095235 133649100 /nfs/dbraw/zinc/64/91/00/133649100.db2.gz HRXBCZXNZRCLSZ-CKIKVBCHSA-N 1 0 238.375 2.055 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000252223548 133649599 /nfs/dbraw/zinc/64/95/99/133649599.db2.gz ZROQCTUMKORRPG-JHJVBQTASA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)[N@H+](C[C@H](C)O)C[C@H]1Cc2ccccc21 ZINC000347062277 133801191 /nfs/dbraw/zinc/80/11/91/133801191.db2.gz VBNZAVVPOZVUSF-GXTWGEPZSA-N 1 0 233.355 2.418 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CC=CC1 ZINC000336002532 134047628 /nfs/dbraw/zinc/04/76/28/134047628.db2.gz LBNCUEKFHYQLSD-TZMCWYRMSA-N 1 0 248.370 2.038 10 0 BEAERO O=C(N[C@@H]1CC12CCCC2)C12CCC[NH+]1CCC2 ZINC000336011995 134051619 /nfs/dbraw/zinc/05/16/19/134051619.db2.gz MQIPGCSIIBPVJF-GFCCVEGCSA-N 1 0 248.370 2.064 10 0 BEAERO C[C@H]1C[C@H](C[NH+]2CC(C(F)(F)F)C2)CCO1 ZINC000336188917 134122354 /nfs/dbraw/zinc/12/23/54/134122354.db2.gz LOEKFGGFBOOCCH-DTWKUNHWSA-N 1 0 237.265 2.296 10 0 BEAERO CC(C)[NH+]1CCN(C[C@H]2CCCC2(F)F)CC1 ZINC000336204174 134131366 /nfs/dbraw/zinc/13/13/66/134131366.db2.gz OXRZCZKZWCVDOT-GFCCVEGCSA-N 1 0 246.345 2.448 10 0 BEAERO CCCn1ccc(C[NH2+][C@H](CC)CCO)c1 ZINC000217704485 134250508 /nfs/dbraw/zinc/25/05/08/134250508.db2.gz MNDCJVVXDQVRAV-CYBMUJFWSA-N 1 0 224.348 2.149 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](C/C=C/Cl)CC2 ZINC000220393545 134306542 /nfs/dbraw/zinc/30/65/42/134306542.db2.gz YFFFRCZWKOHWOI-HNFQPOCMSA-N 1 0 229.751 2.366 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178684813 134312879 /nfs/dbraw/zinc/31/28/79/134312879.db2.gz YLRWLWPFPJLPDN-QDRWXPAPSA-N 1 0 237.368 2.483 10 0 BEAERO c1cc([C@H]2CCC[N@@H+](C3CCC3)C2)n[nH]1 ZINC000178983463 134314204 /nfs/dbraw/zinc/31/42/04/134314204.db2.gz WIHRVZGVVNTTDG-JTQLQIEISA-N 1 0 205.305 2.142 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)o1 ZINC000220915662 134315075 /nfs/dbraw/zinc/31/50/75/134315075.db2.gz OMEHSFOKJTXAEW-MNOVXSKESA-N 1 0 224.304 2.060 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180637057 134330521 /nfs/dbraw/zinc/33/05/21/134330521.db2.gz BLGRYQXLTFZBSB-QWRGUYRKSA-N 1 0 236.363 2.104 10 0 BEAERO C[C@H](N[C@H]1CC[C@@H]([NH+](C)C)C1)c1nccs1 ZINC000222737329 134333892 /nfs/dbraw/zinc/33/38/92/134333892.db2.gz FHBBMGDRTXSJGC-GARJFASQSA-N 1 0 239.388 2.276 10 0 BEAERO C[C@H](N[C@H]1CC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000222741002 134334293 /nfs/dbraw/zinc/33/42/93/134334293.db2.gz IPOXUOZTSRRLTI-SDDRHHMPSA-N 1 0 222.332 2.413 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000224877644 134348666 /nfs/dbraw/zinc/34/86/66/134348666.db2.gz NCQLENVFLLFVAP-GXSJLCMTSA-N 1 0 237.299 2.344 10 0 BEAERO CCC[C@H](C(=O)N1CCCC[C@@H](C)C1)[NH+](C)C ZINC000184441611 134361043 /nfs/dbraw/zinc/36/10/43/134361043.db2.gz NXFAQASBJSTXNZ-CHWSQXEVSA-N 1 0 240.391 2.365 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000227571234 134383314 /nfs/dbraw/zinc/38/33/14/134383314.db2.gz OLPWKADBFBHECJ-JTQLQIEISA-N 1 0 241.281 2.169 10 0 BEAERO Cc1cc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)no1 ZINC000227704213 134384532 /nfs/dbraw/zinc/38/45/32/134384532.db2.gz VGBBSHPNAMSFSW-BXUZGUMPSA-N 1 0 249.358 2.042 10 0 BEAERO Cc1cccc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000227738481 134385440 /nfs/dbraw/zinc/38/54/40/134385440.db2.gz MLLWMLOJDLGUJM-GFCCVEGCSA-N 1 0 221.348 2.200 10 0 BEAERO CCOc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227576122 134385720 /nfs/dbraw/zinc/38/57/20/134385720.db2.gz LXXNVACONHNXPK-AWEZNQCLSA-N 1 0 249.354 2.290 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)C(C)(C)CC ZINC000227907111 134398297 /nfs/dbraw/zinc/39/82/97/134398297.db2.gz JPXKROIRITYCAC-GFCCVEGCSA-N 1 0 231.380 2.284 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2CC[C@@H](C)C2)cnn1C ZINC000230412145 134501792 /nfs/dbraw/zinc/50/17/92/134501792.db2.gz NRBQYKPYGKJBRR-PWSUYJOCSA-N 1 0 221.348 2.254 10 0 BEAERO CCN(C)C(=O)[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000231844147 134544854 /nfs/dbraw/zinc/54/48/54/134544854.db2.gz IQKCFRXTLHGKQT-OTTFEQOBSA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000132320430 134652759 /nfs/dbraw/zinc/65/27/59/134652759.db2.gz JJLNOZGGAKFFHS-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@H](CO)[NH2+][C@@H](c1cccnc1)C(C)C ZINC000133057358 134674318 /nfs/dbraw/zinc/67/43/18/134674318.db2.gz CUSIGISGQQPODL-CHWSQXEVSA-N 1 0 222.332 2.139 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000134254058 134704358 /nfs/dbraw/zinc/70/43/58/134704358.db2.gz VFUDTDXCOJQDPB-SMDDNHRTSA-N 1 0 249.358 2.265 10 0 BEAERO C[C@H](CC[NH3+])Nc1cc(C(F)(F)F)ccn1 ZINC000134272779 134705939 /nfs/dbraw/zinc/70/59/39/134705939.db2.gz ZMMSBCVRMJIRQN-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158778878 134749755 /nfs/dbraw/zinc/74/97/55/134749755.db2.gz TXRHEGQLFOYMHF-GHMZBOCLSA-N 1 0 226.364 2.056 10 0 BEAERO CCOC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000159205848 134765693 /nfs/dbraw/zinc/76/56/93/134765693.db2.gz GHZTUFJFKORUPR-TUAOUCFPSA-N 1 0 241.375 2.205 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000159943559 134795344 /nfs/dbraw/zinc/79/53/44/134795344.db2.gz PCKJQTKQKFUWKB-IACUBPJLSA-N 1 0 246.354 2.300 10 0 BEAERO O=C1CC[C@@H]2C[N@@H+](C3CCC3)CC[C@@H]2N1C1CC1 ZINC000194728935 134829737 /nfs/dbraw/zinc/82/97/37/134829737.db2.gz PVCLSRBSFJYCOJ-RISCZKNCSA-N 1 0 248.370 2.014 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1cnc2ccccc2n1 ZINC000070463595 134919236 /nfs/dbraw/zinc/91/92/36/134919236.db2.gz ISFZSFMMIYYQEX-JTQLQIEISA-N 1 0 230.315 2.025 10 0 BEAERO CC[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000070643460 135002075 /nfs/dbraw/zinc/00/20/75/135002075.db2.gz IQDMWKWRBCJLMN-JQWIXIFHSA-N 1 0 207.321 2.386 10 0 BEAERO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1nnc[nH]1 ZINC000070646217 135004491 /nfs/dbraw/zinc/00/44/91/135004491.db2.gz YVEFSOZEOWJHEK-WDEREUQCSA-N 1 0 224.352 2.152 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H]1CCC(C)(C)O1 ZINC000248564042 135004786 /nfs/dbraw/zinc/00/47/86/135004786.db2.gz HRIPHRHZZHSHTA-IJLUTSLNSA-N 1 0 227.348 2.053 10 0 BEAERO CO[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000248422641 135007569 /nfs/dbraw/zinc/00/75/69/135007569.db2.gz MRIOYZYMHUVRGC-QWRGUYRKSA-N 1 0 209.289 2.451 10 0 BEAERO C[C@@H]1C[NH+](C[C@H]2CCC(C)(C)O2)C[C@@H](C)O1 ZINC000248582766 135014865 /nfs/dbraw/zinc/01/48/65/135014865.db2.gz TVPGVMIVIVGRKP-IJLUTSLNSA-N 1 0 227.348 2.053 10 0 BEAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC=CO2)cn1 ZINC000248828468 135023041 /nfs/dbraw/zinc/02/30/41/135023041.db2.gz GWGWRBPOIDZVSV-KGLIPLIRSA-N 1 0 247.342 2.250 10 0 BEAERO Cc1cncc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000248920968 135026153 /nfs/dbraw/zinc/02/61/53/135026153.db2.gz KSXBVCJWKIZJLA-HIFRSBDPSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1cncc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000248920970 135026379 /nfs/dbraw/zinc/02/63/79/135026379.db2.gz KSXBVCJWKIZJLA-UKRRQHHQSA-N 1 0 245.370 2.059 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000250189470 135050150 /nfs/dbraw/zinc/05/01/50/135050150.db2.gz ADNFHRWJRVBGCC-AVGNSLFASA-N 1 0 210.365 2.249 10 0 BEAERO C[N@H+](CC1CCCCC1)[C@H]1CCC[C@H]1O ZINC000250386794 135052625 /nfs/dbraw/zinc/05/26/25/135052625.db2.gz KHVFSADZXSPUFE-QWHCGFSZSA-N 1 0 211.349 2.412 10 0 BEAERO O=C(C1CC=CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000076988583 135057234 /nfs/dbraw/zinc/05/72/34/135057234.db2.gz KWXGBEWBWYWGCE-UHFFFAOYSA-N 1 0 248.370 2.039 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000250865465 135060635 /nfs/dbraw/zinc/06/06/35/135060635.db2.gz VSXJQRKUXZGIMD-VHDGCEQUSA-N 1 0 231.339 2.425 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000251076430 135061965 /nfs/dbraw/zinc/06/19/65/135061965.db2.gz UNTOFPQHQZTNSX-KWBADKCTSA-N 1 0 205.301 2.033 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)[C@H](C)O ZINC000251037418 135062090 /nfs/dbraw/zinc/06/20/90/135062090.db2.gz KBKNUHNWYZWQEF-SUNKGSAMSA-N 1 0 219.328 2.423 10 0 BEAERO CC(C)C[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251359424 135068579 /nfs/dbraw/zinc/06/85/79/135068579.db2.gz DBORZPJGDZDIOJ-STQMWFEESA-N 1 0 210.365 2.201 10 0 BEAERO CC(C)CCOCC[NH+]1[C@H](C)COC[C@H]1C ZINC000077657593 135072027 /nfs/dbraw/zinc/07/20/27/135072027.db2.gz BUJSCWNCXGPVHJ-CHWSQXEVSA-N 1 0 229.364 2.158 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@H]2CCCC[C@H]2O)CC1 ZINC000252137414 135085075 /nfs/dbraw/zinc/08/50/75/135085075.db2.gz LRICEKDCUCXAPM-FRRDWIJNSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H]1C[C@H]1C ZINC000252180711 135085796 /nfs/dbraw/zinc/08/57/96/135085796.db2.gz SWCILJVUAZOETN-GMTAPVOTSA-N 1 0 227.348 2.304 10 0 BEAERO CC(C)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252475926 135090448 /nfs/dbraw/zinc/09/04/48/135090448.db2.gz NMOYPMNQAPYZNO-QWHCGFSZSA-N 1 0 211.349 2.269 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000086865362 135099138 /nfs/dbraw/zinc/09/91/38/135099138.db2.gz IXLAASOMVVLJHY-SRVKXCTJSA-N 1 0 211.349 2.316 10 0 BEAERO CCOC[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000252713424 135100348 /nfs/dbraw/zinc/10/03/48/135100348.db2.gz PCSAETZKFMTBEG-XQQFMLRXSA-N 1 0 229.364 2.062 10 0 BEAERO C[C@@H]1CC[C@H](N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000252738932 135105679 /nfs/dbraw/zinc/10/56/79/135105679.db2.gz FSBGQYAZWXTJNK-ZOBORPQBSA-N 1 0 222.376 2.344 10 0 BEAERO c1csc([C@@H]([NH2+]C2COC2)C2CC2)c1 ZINC000087194966 135112364 /nfs/dbraw/zinc/11/23/64/135112364.db2.gz SLFGZFPCBYYPGD-NSHDSACASA-N 1 0 209.314 2.188 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000252948206 135117600 /nfs/dbraw/zinc/11/76/00/135117600.db2.gz AYGWJNLOXCBQPV-SYQHCUMBSA-N 1 0 222.376 2.201 10 0 BEAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253086808 135120122 /nfs/dbraw/zinc/12/01/22/135120122.db2.gz CJRJAVFCYVWCMB-AAVRWANBSA-N 1 0 241.375 2.037 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000253194772 135124136 /nfs/dbraw/zinc/12/41/36/135124136.db2.gz QOGFWWANQHJVHJ-WXHSDQCUSA-N 1 0 211.349 2.436 10 0 BEAERO CC[C@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000253278939 135125425 /nfs/dbraw/zinc/12/54/25/135125425.db2.gz PCSFZXXFTDACEQ-STQMWFEESA-N 1 0 238.375 2.119 10 0 BEAERO Cc1csc(C[N@@H+]2CCC[C@H]2CCCO)n1 ZINC000087396338 135129634 /nfs/dbraw/zinc/12/96/34/135129634.db2.gz XCIFAPZKYYZNNM-NSHDSACASA-N 1 0 240.372 2.188 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccccc1 ZINC000257692785 135139302 /nfs/dbraw/zinc/13/93/02/135139302.db2.gz MLOOQCSDXUFJRB-ZDUSSCGKSA-N 1 0 246.354 2.083 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)C[C@H]1[NH3+] ZINC000261533100 135164150 /nfs/dbraw/zinc/16/41/50/135164150.db2.gz PXHODGAAXOXNAI-GMTAPVOTSA-N 1 0 232.318 2.091 10 0 BEAERO C[C@H]1CCN(c2ccncc2Cl)[C@H](C[NH3+])C1 ZINC000261534451 135167316 /nfs/dbraw/zinc/16/73/16/135167316.db2.gz QJNKEXDNRSXBMN-UWVGGRQHSA-N 1 0 239.750 2.299 10 0 BEAERO Cc1ncsc1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261534567 135167660 /nfs/dbraw/zinc/16/76/60/135167660.db2.gz SFDYCMUUPNBXLS-KOLCDFICSA-N 1 0 239.388 2.011 10 0 BEAERO Cc1ncsc1CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534569 135168141 /nfs/dbraw/zinc/16/81/41/135168141.db2.gz SFDYCMUUPNBXLS-ONGXEEELSA-N 1 0 239.388 2.011 10 0 BEAERO C[C@@H]1CCN(c2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000261535227 135168663 /nfs/dbraw/zinc/16/86/63/135168663.db2.gz WYPIWEDDNMVFMC-KOLCDFICSA-N 1 0 239.750 2.299 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1cccc(C)n1 ZINC000087780211 135169159 /nfs/dbraw/zinc/16/91/59/135169159.db2.gz NVUQBSYTUKEHBC-LLVKDONJSA-N 1 0 207.321 2.319 10 0 BEAERO Cc1nccc(C[NH2+]C[C@@]2(C)CCCS2)n1 ZINC000087793217 135172129 /nfs/dbraw/zinc/17/21/29/135172129.db2.gz QIYXCKLIYWQRLM-GFCCVEGCSA-N 1 0 237.372 2.160 10 0 BEAERO C[C@H]1CCN(C(=O)CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000261537729 135174995 /nfs/dbraw/zinc/17/49/95/135174995.db2.gz UFBACYOUUFTSTN-NWDGAFQWSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@@H](c1ccccn1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261542718 135183355 /nfs/dbraw/zinc/18/33/55/135183355.db2.gz CJTHWMPULDOHPD-WCQYABFASA-N 1 0 233.359 2.202 10 0 BEAERO C[C@@H]1CCN(c2nc3ccccc3[nH]2)[C@H](C[NH3+])C1 ZINC000261551201 135190338 /nfs/dbraw/zinc/19/03/38/135190338.db2.gz TXYVXAKFNXSJNV-MNOVXSKESA-N 1 0 244.342 2.127 10 0 BEAERO CCC[C@@](C)([NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261554875 135194237 /nfs/dbraw/zinc/19/42/37/135194237.db2.gz PGICCSZHWSDYDD-MBNYWOFBSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](CC(=O)N1CC[C@@](C)(C[NH3+])C1)C(C)(C)C ZINC000261560143 135201439 /nfs/dbraw/zinc/20/14/39/135201439.db2.gz UFRZIVHVSNIBMT-RISCZKNCSA-N 1 0 240.391 2.256 10 0 BEAERO COCC[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000084328031 135211633 /nfs/dbraw/zinc/21/16/33/135211633.db2.gz UQILUNOJJZKPQT-LLVKDONJSA-N 1 0 223.316 2.035 10 0 BEAERO CC1(C)CN(c2ncccc2Cl)CC[C@H]1[NH3+] ZINC000261587025 135228323 /nfs/dbraw/zinc/22/83/23/135228323.db2.gz RNFUJRUZUUGWGP-SNVBAGLBSA-N 1 0 239.750 2.299 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C[C@H](C)[NH3+])cc1C ZINC000261699757 135246983 /nfs/dbraw/zinc/24/69/83/135246983.db2.gz CPGLRTHHWFFEAI-NWDGAFQWSA-N 1 0 234.343 2.218 10 0 BEAERO CCC(C)(C)CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261830951 135256050 /nfs/dbraw/zinc/25/60/50/135256050.db2.gz OSISERULUJWLLQ-NWDGAFQWSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1cc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])ccc1F ZINC000261867816 135258491 /nfs/dbraw/zinc/25/84/91/135258491.db2.gz QICLDPADBLEKHT-NXEZZACHSA-N 1 0 238.306 2.049 10 0 BEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000261874154 135258749 /nfs/dbraw/zinc/25/87/49/135258749.db2.gz RAILCZBDZGMWSH-YUTCNCBUSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000261874153 135258818 /nfs/dbraw/zinc/25/88/18/135258818.db2.gz RAILCZBDZGMWSH-UBHSHLNASA-N 1 0 246.354 2.176 10 0 BEAERO OC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000079062199 135269883 /nfs/dbraw/zinc/26/98/83/135269883.db2.gz YFXFXUHBQMBARD-AWEZNQCLSA-N 1 0 219.328 2.281 10 0 BEAERO CC(C)CCC[C@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164436574 135287874 /nfs/dbraw/zinc/28/78/74/135287874.db2.gz CXYPWBUXHLVWBC-NWDGAFQWSA-N 1 0 240.391 2.173 10 0 BEAERO CCN(C(=O)[C@H](C)C1C[NH2+]C1)c1ccc(C)cc1 ZINC000164483132 135364289 /nfs/dbraw/zinc/36/42/89/135364289.db2.gz AYOHJZNDGIPWIC-GFCCVEGCSA-N 1 0 246.354 2.203 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)C1 ZINC000299990879 135383786 /nfs/dbraw/zinc/38/37/86/135383786.db2.gz AYQQCUGINFTSLR-IJLUTSLNSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000081002079 135385882 /nfs/dbraw/zinc/38/58/82/135385882.db2.gz CXUVBIUEQQTMME-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]CCn2cc(C)cn2)C1 ZINC000164526044 135388058 /nfs/dbraw/zinc/38/80/58/135388058.db2.gz KZRCRKJPPVFBOK-CHWSQXEVSA-N 1 0 221.348 2.360 10 0 BEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC000335768384 135422121 /nfs/dbraw/zinc/42/21/21/135422121.db2.gz DYVXFWXDEKKUEG-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO CSCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944480 135442813 /nfs/dbraw/zinc/44/28/13/135442813.db2.gz QNCQFPSWIUGGPK-DCAQKATOSA-N 1 0 229.389 2.143 10 0 BEAERO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2C2CC2)cc1 ZINC000083936350 135461846 /nfs/dbraw/zinc/46/18/46/135461846.db2.gz JJYHDCNNXAHTMS-CQSZACIVSA-N 1 0 244.338 2.160 10 0 BEAERO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085357664 135482156 /nfs/dbraw/zinc/48/21/56/135482156.db2.gz OUQURQNFDJJXIR-ZIAGYGMSSA-N 1 0 246.354 2.081 10 0 BEAERO CCOc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085366058 135482603 /nfs/dbraw/zinc/48/26/03/135482603.db2.gz QWWGWFVHZYFCQC-STQMWFEESA-N 1 0 248.326 2.151 10 0 BEAERO CC1(C)CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)C1 ZINC000087772228 135512005 /nfs/dbraw/zinc/51/20/05/135512005.db2.gz CJMHUWPMBPWAFO-SRVKXCTJSA-N 1 0 211.349 2.316 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1nc(CC)ns1 ZINC000087780250 135513031 /nfs/dbraw/zinc/51/30/31/135513031.db2.gz QPHPISKACBFMEK-MRVPVSSYSA-N 1 0 228.365 2.030 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449833 135535061 /nfs/dbraw/zinc/53/50/61/135535061.db2.gz PPKYFKHYSLDYQQ-YVECIDJPSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089746998 135541185 /nfs/dbraw/zinc/54/11/85/135541185.db2.gz VREBOZMZCUHPQQ-QWHCGFSZSA-N 1 0 246.354 2.172 10 0 BEAERO CO[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C12CCC2 ZINC000334519517 135641580 /nfs/dbraw/zinc/64/15/80/135641580.db2.gz KFNLTKQQWOXWGF-LVFLEHKBSA-N 1 0 227.323 2.424 10 0 BEAERO C(C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C1CC1 ZINC000334789991 135814207 /nfs/dbraw/zinc/81/42/07/135814207.db2.gz RWYBINBAQMXRTM-OLZOCXBDSA-N 1 0 221.344 2.287 10 0 BEAERO C[C@@H]1CC[C@@H]([N@@H+]2CCOCC3(CC3)C2)C1 ZINC000335348814 136067762 /nfs/dbraw/zinc/06/77/62/136067762.db2.gz XIQVFQZUXQNPBF-VXGBXAGGSA-N 1 0 209.333 2.287 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000335583388 136101070 /nfs/dbraw/zinc/10/10/70/136101070.db2.gz XCYRGRLRQMPTPA-PSASIEDQSA-N 1 0 225.723 2.274 10 0 BEAERO Cc1c([C@@H](C)[NH2+]Cc2ccoc2)cnn1C ZINC000062103630 1172741449 /nfs/dbraw/zinc/74/14/49/1172741449.db2.gz NJIPTTXRGCFNLR-SECBINFHSA-N 1 0 219.288 2.172 10 0 BEAERO C[NH+](C)[C@@H]1CC[C@@H](Nc2cncc(Cl)n2)C1 ZINC000301944419 397792408 /nfs/dbraw/zinc/79/24/08/397792408.db2.gz YWWPKTFISPCLFR-RKDXNWHRSA-N 1 0 240.738 2.025 10 0 BEAERO C[NH+](C)[C@H]1CC[C@@H](Nc2cncc(Cl)n2)C1 ZINC000301944416 397792437 /nfs/dbraw/zinc/79/24/37/397792437.db2.gz YWWPKTFISPCLFR-BDAKNGLRSA-N 1 0 240.738 2.025 10 0 BEAERO C/C(=C/CC[NH3+])C(F)(F)Br ZINC000307841258 397801045 /nfs/dbraw/zinc/80/10/45/397801045.db2.gz WSDOHWXTPFPABX-HYXAFXHYSA-N 1 0 214.053 2.269 10 0 BEAERO CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@H](CO)C2)O1 ZINC000364316036 397892957 /nfs/dbraw/zinc/89/29/57/397892957.db2.gz QYXXXYZTLMALFT-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO c1cc2ccc([C@H]3CC[NH2+]CCO3)cc2cn1 ZINC000616662719 397917048 /nfs/dbraw/zinc/91/70/48/397917048.db2.gz DHEWEHUKRYTHHH-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO [NH3+]CCN1C[C@@H](C(F)(F)F)Cc2ccccc21 ZINC000616670170 397918325 /nfs/dbraw/zinc/91/83/25/397918325.db2.gz CQLVCYTXCHPIDO-JTQLQIEISA-N 1 0 244.260 2.186 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000307174842 398005864 /nfs/dbraw/zinc/00/58/64/398005864.db2.gz RANKAGWFWGOFCO-CLLJXQQHSA-N 1 0 229.327 2.099 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000336733149 398031386 /nfs/dbraw/zinc/03/13/86/398031386.db2.gz MDGLHAYKHCHEHM-SDDRHHMPSA-N 1 0 215.312 2.141 10 0 BEAERO CO[C@H]1C[NH2+]CC[C@@H]1Cc1ccccc1C ZINC000221690104 398049302 /nfs/dbraw/zinc/04/93/02/398049302.db2.gz CBYKZKNTXNNPID-KGLIPLIRSA-N 1 0 219.328 2.162 10 0 BEAERO [NH3+][C@@H](c1ccsn1)C1CC(F)(F)C1 ZINC000307087934 397978573 /nfs/dbraw/zinc/97/85/73/397978573.db2.gz SKMHNDOQMVYLRI-SSDOTTSWSA-N 1 0 204.245 2.188 10 0 BEAERO Cc1cc(C(=O)[C@H]2CCC[C@H]2C[NH3+])sn1 ZINC000307118191 397980083 /nfs/dbraw/zinc/98/00/83/397980083.db2.gz WJYLAQLRCLYEME-IUCAKERBSA-N 1 0 224.329 2.009 10 0 BEAERO Cc1ccc(C(=O)[C@H](C)C[NH3+])cc1Cl ZINC000231995769 397988617 /nfs/dbraw/zinc/98/86/17/397988617.db2.gz FTPVOSFHNOCKRX-MRVPVSSYSA-N 1 0 211.692 2.426 10 0 BEAERO CC[NH2+][C@H]1CCc2c(cc(OC)cc2OC)C1 ZINC000584626023 398079485 /nfs/dbraw/zinc/07/94/85/398079485.db2.gz CWOCUABSHZXOHN-NSHDSACASA-N 1 0 235.327 2.171 10 0 BEAERO C[NH+](C)CCCSCCCc1cnco1 ZINC000584658086 398081940 /nfs/dbraw/zinc/08/19/40/398081940.db2.gz ZDDGGWXXVXMPND-UHFFFAOYSA-N 1 0 228.361 2.292 10 0 BEAERO c1ccc2oc(N3CC[NH+]4CCC3CC4)nc2c1 ZINC000033962275 398089449 /nfs/dbraw/zinc/08/94/49/398089449.db2.gz CXJLWJAYGMWLRR-UHFFFAOYSA-N 1 0 243.310 2.112 10 0 in-vivo BEAERO CC(C)CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116323067 398090448 /nfs/dbraw/zinc/09/04/48/398090448.db2.gz KDQHGZUSOBZRPA-GFCCVEGCSA-N 1 0 221.348 2.256 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000128938455 398099144 /nfs/dbraw/zinc/09/91/44/398099144.db2.gz BEYVFLZKNSLJGV-CHWSQXEVSA-N 1 0 221.348 2.394 10 0 BEAERO C[C@@H](Cn1cc(C(C)(C)[NH3+])nn1)c1ccccc1 ZINC000384705429 398102767 /nfs/dbraw/zinc/10/27/67/398102767.db2.gz FLKZSFTVMBMPQZ-NSHDSACASA-N 1 0 244.342 2.276 10 0 BEAERO C[C@H]1[C@H](c2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000575500487 398104791 /nfs/dbraw/zinc/10/47/91/398104791.db2.gz SCUKKQMOIVPIIL-ZQARSLAVSA-N 1 0 241.132 2.295 10 0 BEAERO CNC(=[NH2+])c1ccc(C)c(Br)c1 ZINC000234350808 398124099 /nfs/dbraw/zinc/12/40/99/398124099.db2.gz OFISSMHVEVNREO-UHFFFAOYSA-N 1 0 227.105 2.302 10 0 BEAERO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2CCF)cn1 ZINC000286009740 398131460 /nfs/dbraw/zinc/13/14/60/398131460.db2.gz JDQJEYSIYUCYON-NWDGAFQWSA-N 1 0 225.311 2.038 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCOc2ccccc2)C1 ZINC000401594907 533674650 /nfs/dbraw/zinc/67/46/50/533674650.db2.gz UUIZJSDWVOSHOQ-ZIAGYGMSSA-N 1 0 249.354 2.158 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687529 167027065 /nfs/dbraw/zinc/02/70/65/167027065.db2.gz OOQDWSHQSRQGRY-YPMHNXCESA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)NC(=O)CC[C@@H](C[NH3+])c1ccccc1 ZINC000076617013 167044496 /nfs/dbraw/zinc/04/44/96/167044496.db2.gz JBRSSHXYAJEYAT-ZDUSSCGKSA-N 1 0 234.343 2.034 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1ccc(F)cc1F ZINC000050885015 167102240 /nfs/dbraw/zinc/10/22/40/167102240.db2.gz ICHIIJQPRCVGHS-UHFFFAOYSA-N 1 0 242.313 2.395 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@@H](C)C2(CCC2)C1 ZINC000375680846 167105540 /nfs/dbraw/zinc/10/55/40/167105540.db2.gz VXMYPODXFZFAQR-CYBMUJFWSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCCN1Cc1ccno1 ZINC000104409069 167111522 /nfs/dbraw/zinc/11/15/22/167111522.db2.gz STFPQDYGRJYOET-LBPRGKRZSA-N 1 0 237.347 2.027 10 0 BEAERO CC(C)[NH2+]C[C@@](C)(O)c1ccccc1F ZINC000055033103 167113168 /nfs/dbraw/zinc/11/31/68/167113168.db2.gz JGSLUBBCUVYCCR-GFCCVEGCSA-N 1 0 211.280 2.031 10 0 BEAERO CCCN(CCC)C(=O)C[C@H]([NH3+])C(C)C ZINC000128856570 487559626 /nfs/dbraw/zinc/55/96/26/487559626.db2.gz SQRPRAOOOFWKAZ-NSHDSACASA-N 1 0 214.353 2.008 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1ncnc2c1CCCC2 ZINC000094872515 487562209 /nfs/dbraw/zinc/56/22/09/487562209.db2.gz ARMJAYBXUIPWHP-NSHDSACASA-N 1 0 248.374 2.141 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cc1F ZINC000094956317 487565435 /nfs/dbraw/zinc/56/54/35/487565435.db2.gz MYTMOPRWIPTYDE-NXEZZACHSA-N 1 0 238.306 2.049 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094956505 487565292 /nfs/dbraw/zinc/56/52/92/487565292.db2.gz HOFYCNWPIZMXRF-JOYOIKCWSA-N 1 0 238.306 2.049 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+][C@H](C(C)C)C1CC1 ZINC000324272204 487566023 /nfs/dbraw/zinc/56/60/23/487566023.db2.gz OANAHWCTZVQYIF-UONOGXRCSA-N 1 0 243.391 2.188 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@H](C(C)C)C1CC1 ZINC000324272205 487566123 /nfs/dbraw/zinc/56/61/23/487566123.db2.gz OANAHWCTZVQYIF-ZIAGYGMSSA-N 1 0 243.391 2.188 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C(C)C)C1CC1 ZINC000324272202 487566133 /nfs/dbraw/zinc/56/61/33/487566133.db2.gz OANAHWCTZVQYIF-KBPBESRZSA-N 1 0 243.391 2.188 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H](C(C)C)C1CC1 ZINC000324272203 487566527 /nfs/dbraw/zinc/56/65/27/487566527.db2.gz OANAHWCTZVQYIF-KGLIPLIRSA-N 1 0 243.391 2.188 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1Cc1cccs1 ZINC000052762149 487567357 /nfs/dbraw/zinc/56/73/57/487567357.db2.gz YNNVYVLUVHEGSM-LLVKDONJSA-N 1 0 225.357 2.485 10 0 BEAERO Cc1cc(Br)cc(C[NH3+])c1F ZINC000075844816 177722166 /nfs/dbraw/zinc/72/21/66/177722166.db2.gz PEOKNHLOKQPMIA-UHFFFAOYSA-N 1 0 218.069 2.355 10 0 BEAERO CC1(C)CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000308910176 487579240 /nfs/dbraw/zinc/57/92/40/487579240.db2.gz MJLWZJSKMNXQLN-NWDGAFQWSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042861278 167261606 /nfs/dbraw/zinc/26/16/06/167261606.db2.gz DGCTYWRYSPMDFF-MJBXVCDLSA-N 1 0 243.391 2.188 10 0 BEAERO CCC(C)(CC)NC(=O)C1CCC([NH3+])CC1 ZINC000225472718 487592278 /nfs/dbraw/zinc/59/22/78/487592278.db2.gz BIEQPBHLHPZHEK-UHFFFAOYSA-N 1 0 226.364 2.199 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000162618070 487595916 /nfs/dbraw/zinc/59/59/16/487595916.db2.gz SUTYGBVJAPIAMM-AVGNSLFASA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)Oc1cccc(C[NH3+])c1OC1CC1 ZINC000095738068 167305540 /nfs/dbraw/zinc/30/55/40/167305540.db2.gz UEYHQRNOCGTPGC-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)SCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000369504881 167327809 /nfs/dbraw/zinc/32/78/09/167327809.db2.gz VZOJEMHQWIIQDB-QWHCGFSZSA-N 1 0 242.432 2.297 10 0 BEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000662340126 409650777 /nfs/dbraw/zinc/65/07/77/409650777.db2.gz UOWCVZWMHCRCLW-UONOGXRCSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCOc1ccccc1 ZINC000296317895 410008955 /nfs/dbraw/zinc/00/89/55/410008955.db2.gz QECZYDDDTCOZSU-HIFRSBDPSA-N 1 0 249.354 2.301 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000313456195 410066918 /nfs/dbraw/zinc/06/69/18/410066918.db2.gz DHSIXRCIZVQDNZ-GHMZBOCLSA-N 1 0 228.380 2.302 10 0 BEAERO C[NH2+]C[C@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000663279105 410094830 /nfs/dbraw/zinc/09/48/30/410094830.db2.gz OWFQLGYZYIPGRJ-ZETCQYMHSA-N 1 0 233.237 2.120 10 0 BEAERO Brc1ccc(CC2C[NH2+]C2)s1 ZINC000071535762 166097778 /nfs/dbraw/zinc/09/77/78/166097778.db2.gz FKOBYWPORLBJNP-UHFFFAOYSA-N 1 0 232.146 2.273 10 0 BEAERO Brc1ccc2c(c1)CC[NH2+]CC2 ZINC000067175647 166100283 /nfs/dbraw/zinc/10/02/83/166100283.db2.gz ZVNFJSFIRKPMES-UHFFFAOYSA-N 1 0 226.117 2.137 10 0 BEAERO Brc1cccnc1C1CC[NH2+]CC1 ZINC000096893771 166102705 /nfs/dbraw/zinc/10/27/05/166102705.db2.gz PRLGLLUBFSQNCQ-UHFFFAOYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccccc1[C@H]1C[NH2+]CO1 ZINC000071533581 166103118 /nfs/dbraw/zinc/10/31/18/166103118.db2.gz AMNOSBQJFZBXSM-SECBINFHSA-N 1 0 228.089 2.068 10 0 BEAERO Brc1cncc(C2CC[NH2+]CC2)c1 ZINC000111854566 166105015 /nfs/dbraw/zinc/10/50/15/166105015.db2.gz BKVZLHGQQNFTDL-UHFFFAOYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1cnccc1[C@H]1CCC[NH2+]C1 ZINC000211516492 166106716 /nfs/dbraw/zinc/10/67/16/166106716.db2.gz JJEBORFEJFGNTJ-QMMMGPOBSA-N 1 0 241.132 2.311 10 0 BEAERO CCN(CC)C(=O)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000037752329 169746309 /nfs/dbraw/zinc/74/63/09/169746309.db2.gz IPCFMKLWYDABNP-STQMWFEESA-N 1 0 240.391 2.413 10 0 BEAERO Cc1cnccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000129760109 410384234 /nfs/dbraw/zinc/38/42/34/410384234.db2.gz YWQDCMRLIDNOFX-ZDUSSCGKSA-N 1 0 220.316 2.049 10 0 BEAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(C(C)(C)C)c1 ZINC000655460445 410572968 /nfs/dbraw/zinc/57/29/68/410572968.db2.gz OFXZDCAKDATWFR-NSHDSACASA-N 1 0 248.370 2.322 10 0 BEAERO [NH3+]C[C@@H]1CCN(c2nccc3ccccc32)C1 ZINC000132071926 410582528 /nfs/dbraw/zinc/58/25/28/410582528.db2.gz FBSGCALDULAUQB-NSHDSACASA-N 1 0 227.311 2.020 10 0 BEAERO CC(C)(C)CNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055136821 166583644 /nfs/dbraw/zinc/58/36/44/166583644.db2.gz KUWDSJPTYALXBF-GHMZBOCLSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)(C)[NH2+]CCc1nnc(-c2ccncc2)o1 ZINC000050620687 166632651 /nfs/dbraw/zinc/63/26/51/166632651.db2.gz WZPYAVILCCEOPT-UHFFFAOYSA-N 1 0 246.314 2.062 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[NH2+]C(C)C)c(C)c1 ZINC000037765417 487618455 /nfs/dbraw/zinc/61/84/55/487618455.db2.gz MSYZMLDVYSZXJQ-ZDUSSCGKSA-N 1 0 248.370 2.479 10 0 BEAERO CC(C)CC(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000037747641 166767590 /nfs/dbraw/zinc/76/75/90/166767590.db2.gz ZIYXAXAYDUAMKQ-NSHDSACASA-N 1 0 234.343 2.369 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)C[C@@H]1[NH3+] ZINC000394497175 410803582 /nfs/dbraw/zinc/80/35/82/410803582.db2.gz INFLILMPIHKFKI-VWYCJHECSA-N 1 0 232.318 2.091 10 0 BEAERO CC(C)CCNC(=O)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000049283911 166844635 /nfs/dbraw/zinc/84/46/35/166844635.db2.gz FVTILXSZFRZMFZ-STQMWFEESA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)CC[C@@](C)([NH2+]Cc1ccccc1)C(N)=O ZINC000037941333 166900720 /nfs/dbraw/zinc/90/07/20/166900720.db2.gz IRJKNUXIZPFWGK-OAHLLOKOSA-N 1 0 248.370 2.456 10 0 BEAERO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000651198457 410856828 /nfs/dbraw/zinc/85/68/28/410856828.db2.gz NTTCTQKLZMVWGM-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCN[C@H]1C ZINC000396591934 410888598 /nfs/dbraw/zinc/88/85/98/410888598.db2.gz UBXOCDAEGVRDNI-DYEKYZERSA-N 1 0 236.359 2.331 10 0 BEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1Cl ZINC000040853904 410895018 /nfs/dbraw/zinc/89/50/18/410895018.db2.gz CXGISIJRPJCLDB-RKDXNWHRSA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)C[NH2+]C1(C(N)=O)CCCCCCC1 ZINC000037946242 167002931 /nfs/dbraw/zinc/00/29/31/167002931.db2.gz AXUDDTNQDQBHLJ-UHFFFAOYSA-N 1 0 226.364 2.200 10 0 BEAERO CC(C)C[NH2+]CCCCn1nnc2ccccc21 ZINC000052576560 167003965 /nfs/dbraw/zinc/00/39/65/167003965.db2.gz UEVDQFRMZBNWGC-UHFFFAOYSA-N 1 0 246.358 2.457 10 0 BEAERO CC(C)C[NH2+]CCN(Cc1ccco1)C1CC1 ZINC000052370835 167005283 /nfs/dbraw/zinc/00/52/83/167005283.db2.gz DMZULTYOCHOKPT-UHFFFAOYSA-N 1 0 236.359 2.490 10 0 BEAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccccc1Cl ZINC000037946219 167013534 /nfs/dbraw/zinc/01/35/34/167013534.db2.gz QXFCDCXPCCQJTK-NSHDSACASA-N 1 0 240.734 2.112 10 0 BEAERO CC(C)C[NH2+][C@H]1CCC[C@@H]1n1ccnc1 ZINC000037106650 167014769 /nfs/dbraw/zinc/01/47/69/167014769.db2.gz UWKYPMBVWIMYBR-RYUDHWBXSA-N 1 0 207.321 2.222 10 0 BEAERO CC(C)N1C[C@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687528 167034304 /nfs/dbraw/zinc/03/43/04/167034304.db2.gz OOQDWSHQSRQGRY-WCQYABFASA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102927051 167040656 /nfs/dbraw/zinc/04/06/56/167040656.db2.gz VGEHJPJROUMWPP-ZDUSSCGKSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)NC(=O)CC[C@@H](C[NH3+])c1cccs1 ZINC000076622302 167047130 /nfs/dbraw/zinc/04/71/30/167047130.db2.gz SEVWHJSERHFWCM-JTQLQIEISA-N 1 0 240.372 2.095 10 0 BEAERO CC[NH+](CC)CCNCc1ccc(F)c(F)c1 ZINC000019919178 169779792 /nfs/dbraw/zinc/77/97/92/169779792.db2.gz UHCYHMKOPYBKKP-UHFFFAOYSA-N 1 0 242.313 2.396 10 0 BEAERO CC(C)[NH2+]CC1CCN(C(F)(F)F)CC1 ZINC000095088489 167100340 /nfs/dbraw/zinc/10/03/40/167100340.db2.gz VQYAWVYSHIVHEV-UHFFFAOYSA-N 1 0 224.270 2.216 10 0 BEAERO CC(C)[NH2+]CCCC(=O)N[C@H](C)c1ccncc1 ZINC000037633266 167101952 /nfs/dbraw/zinc/10/19/52/167101952.db2.gz FAHJFBXDHIBXBF-GFCCVEGCSA-N 1 0 249.358 2.037 10 0 BEAERO CC(C)[NH2+]CCCOCc1noc(C(C)C)n1 ZINC000051864063 167103042 /nfs/dbraw/zinc/10/30/42/167103042.db2.gz MCJHKJUGFRAFCM-UHFFFAOYSA-N 1 0 241.335 2.098 10 0 BEAERO CC(C)[NH2+]CCN1CCCc2ccccc2C1 ZINC000062944566 167104967 /nfs/dbraw/zinc/10/49/67/167104967.db2.gz SBMVLBSFQFNWKY-UHFFFAOYSA-N 1 0 232.371 2.433 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@H]2CCCC[C@@H]2C1 ZINC000037477337 167106988 /nfs/dbraw/zinc/10/69/88/167106988.db2.gz GRAYTPDGPOMPSD-ZIAGYGMSSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[NH2+]C[C@@H](C(C)C)N1CCCCC1 ZINC000052421138 167108943 /nfs/dbraw/zinc/10/89/43/167108943.db2.gz VDECZGOZQBBDNB-ZDUSSCGKSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)[NH2+]CC[C@H](C)n1nnc2ccccc21 ZINC000052576762 167109532 /nfs/dbraw/zinc/10/95/32/167109532.db2.gz BLQYCEJLQIWQEZ-NSHDSACASA-N 1 0 232.331 2.380 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CC[C@H](COC2CCCC2)O1 ZINC000052600880 167112973 /nfs/dbraw/zinc/11/29/73/167112973.db2.gz UKGMNEXMEFMBMH-UONOGXRCSA-N 1 0 241.375 2.491 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCc2ccc(O)cc2O1 ZINC000013775948 167113912 /nfs/dbraw/zinc/11/39/12/167113912.db2.gz LYVQVYJGNYDXHG-LBPRGKRZSA-N 1 0 221.300 2.084 10 0 BEAERO CC(C)[NH2+]C[C@H](O)CO[C@@H](C)c1ccccc1 ZINC000003609047 167114876 /nfs/dbraw/zinc/11/48/76/167114876.db2.gz MBNNABIVZGFXAG-JSGCOSHPSA-N 1 0 237.343 2.123 10 0 BEAERO CC(C)[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000032101439 167115014 /nfs/dbraw/zinc/11/50/14/167115014.db2.gz NPHCEXNMYYMJDL-NSHDSACASA-N 1 0 243.734 2.078 10 0 BEAERO CC(C)[NH2+]Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000037474926 167120165 /nfs/dbraw/zinc/12/01/65/167120165.db2.gz IHWQIWSXNADHBO-UHFFFAOYSA-N 1 0 225.242 2.339 10 0 BEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000651295239 410905703 /nfs/dbraw/zinc/90/57/03/410905703.db2.gz NSRPTKBKIRSRCT-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)[NH2+][C@@H]1CC[S@@](=O)c2ccccc21 ZINC000040973553 167133608 /nfs/dbraw/zinc/13/36/08/167133608.db2.gz NJXMGUSDMLLRST-ABAIWWIYSA-N 1 0 223.341 2.237 10 0 BEAERO CC[NH+](CC)CCOc1cc(F)ccc1N ZINC000019256197 169781973 /nfs/dbraw/zinc/78/19/73/169781973.db2.gz IZPYYFSHXOSGMB-UHFFFAOYSA-N 1 0 226.295 2.129 10 0 BEAERO CC(C)[NH2+][C@@H]1CC[S@](=O)c2ccccc21 ZINC000040973557 167135058 /nfs/dbraw/zinc/13/50/58/167135058.db2.gz NJXMGUSDMLLRST-IAQYHMDHSA-N 1 0 223.341 2.237 10 0 BEAERO CC(C)[NH2+][C@H](CCO)c1ccnc(Cl)c1 ZINC000095088298 167137821 /nfs/dbraw/zinc/13/78/21/167137821.db2.gz JVXWGFJRZQFFSQ-SNVBAGLBSA-N 1 0 228.723 2.157 10 0 BEAERO CC(C)[NH2+][C@]1(CO)CCSc2ccccc21 ZINC000038115601 167141901 /nfs/dbraw/zinc/14/19/01/167141901.db2.gz KJMZKCXOXOGNQH-ZDUSSCGKSA-N 1 0 237.368 2.368 10 0 BEAERO CC(C)[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000037446546 167142195 /nfs/dbraw/zinc/14/21/95/167142195.db2.gz AOXNPWVVRFMJIO-LBPRGKRZSA-N 1 0 240.734 2.039 10 0 BEAERO CC(C)OCCO[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000020262994 167248041 /nfs/dbraw/zinc/24/80/41/167248041.db2.gz MKTMYXTZJXBILS-HUUCEWRRSA-N 1 0 249.354 2.443 10 0 BEAERO CC(C)OCCOCc1ccccc1C[NH3+] ZINC000019402391 167249248 /nfs/dbraw/zinc/24/92/48/167249248.db2.gz BMSKCTXBAATQHX-UHFFFAOYSA-N 1 0 223.316 2.087 10 0 BEAERO CC(C)O[C@@]1(C[NH3+])CCc2ccccc21 ZINC000082639882 167283094 /nfs/dbraw/zinc/28/30/94/167283094.db2.gz VUQVNFIMUPHIKC-CYBMUJFWSA-N 1 0 205.301 2.212 10 0 BEAERO CC(C)Oc1cc2c(cc1O)CC[NH2+][C@@H]2C ZINC000039110316 167288248 /nfs/dbraw/zinc/28/82/48/167288248.db2.gz XDXJQAUCFNGKME-SECBINFHSA-N 1 0 221.300 2.386 10 0 BEAERO CC(C)Oc1ccc([C@H](C)[NH2+]CCO)cc1F ZINC000020549961 167300261 /nfs/dbraw/zinc/30/02/61/167300261.db2.gz GCMSBMPXVCSWNB-JTQLQIEISA-N 1 0 241.306 2.256 10 0 BEAERO CC(C)Oc1ccc([C@@]2(O)CCC[NH2+]C2)cc1 ZINC000071546217 167300644 /nfs/dbraw/zinc/30/06/44/167300644.db2.gz OLZKKJOKNXNUHM-CQSZACIVSA-N 1 0 235.327 2.045 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000236656027 167356889 /nfs/dbraw/zinc/35/68/89/167356889.db2.gz XSOQCHPMLGBMFX-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000036788083 167363420 /nfs/dbraw/zinc/36/34/20/167363420.db2.gz ZFJSYIQBGFTXNQ-VXGBXAGGSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)[C@@H](C)N(C)c1ccnc(C[NH3+])c1 ZINC000051396923 167371486 /nfs/dbraw/zinc/37/14/86/167371486.db2.gz RFBSQMTUZJIMKY-SNVBAGLBSA-N 1 0 207.321 2.021 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@H]1CCCn2ccnc21 ZINC000309541179 167381550 /nfs/dbraw/zinc/38/15/50/167381550.db2.gz DVWQVXCHOOBLHI-VXGBXAGGSA-N 1 0 221.348 2.395 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020137985 167382299 /nfs/dbraw/zinc/38/22/99/167382299.db2.gz UJWUEEMLXSCJMF-VXGBXAGGSA-N 1 0 235.327 2.461 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292940769 167384130 /nfs/dbraw/zinc/38/41/30/167384130.db2.gz IOZPJLLTGBHIMS-SECBINFHSA-N 1 0 231.290 2.282 10 0 BEAERO CC(C)[C@@H](C)Nc1ccnc(C(N)=S)c1 ZINC000061812428 167388291 /nfs/dbraw/zinc/38/82/91/167388291.db2.gz AAZLLZXDVPYBDV-MRVPVSSYSA-N 1 0 223.345 2.172 10 0 BEAERO CC(C)[C@@H](C[NH+](C)C)Nc1cc(N)cc(F)c1 ZINC000049194855 167394554 /nfs/dbraw/zinc/39/45/54/167394554.db2.gz VGKKLLLUJJGVRZ-CYBMUJFWSA-N 1 0 239.338 2.406 10 0 BEAERO CC(C)[C@@H](C[NH3+])CC(=O)N(C)Cc1ccccc1 ZINC000076634403 167396329 /nfs/dbraw/zinc/39/63/29/167396329.db2.gz QVAZMRSKFVURHF-CQSZACIVSA-N 1 0 248.370 2.266 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccn(C)c1 ZINC000126365865 167518008 /nfs/dbraw/zinc/51/80/08/167518008.db2.gz NTKAPCOSIFOKSP-UONOGXRCSA-N 1 0 236.359 2.176 10 0 BEAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000399518955 411047101 /nfs/dbraw/zinc/04/71/01/411047101.db2.gz NIJQAFUYVQUTOM-LOWDOPEQSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000364351332 167533373 /nfs/dbraw/zinc/53/33/73/167533373.db2.gz FJQZPJXKRQPBPC-QWHCGFSZSA-N 1 0 211.349 2.125 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CCC(C)(C)C ZINC000399832085 411065409 /nfs/dbraw/zinc/06/54/09/411065409.db2.gz ZDMOBGMJEPZHHR-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc32)C[C@H](C)[C@H]1O ZINC000661620063 411066445 /nfs/dbraw/zinc/06/64/45/411066445.db2.gz FZUBUMOKJFZFRD-CQJJVWNLSA-N 1 0 245.366 2.275 10 0 BEAERO Cc1cc2ccccc2nc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300093480 411081918 /nfs/dbraw/zinc/08/19/18/411081918.db2.gz VWCCHSSBQADHIX-WCQYABFASA-N 1 0 241.338 2.327 10 0 BEAERO CCC1CCC(NC(=O)CC[NH2+]C(C)C)CC1 ZINC000042582006 411019143 /nfs/dbraw/zinc/01/91/43/411019143.db2.gz CNQMJQMDUDAOKF-UHFFFAOYSA-N 1 0 240.391 2.460 10 0 BEAERO CC(C)c1ccc([C@@H](C[NH3+])CCO)cc1 ZINC000041216307 167612216 /nfs/dbraw/zinc/61/22/16/167612216.db2.gz PAPLGIVWBQWNDJ-CYBMUJFWSA-N 1 0 207.317 2.235 10 0 BEAERO CC(C)c1cccc(OC[C@H](O)C[NH2+]C2CC2)c1 ZINC000032104604 167634822 /nfs/dbraw/zinc/63/48/22/167634822.db2.gz CCHZKBZSGZDVMV-CQSZACIVSA-N 1 0 249.354 2.302 10 0 BEAERO CCC[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659999935 411163239 /nfs/dbraw/zinc/16/32/39/411163239.db2.gz IWTOQPBEGMNIJD-YNEHKIRRSA-N 1 0 211.349 2.412 10 0 BEAERO CCC[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659999934 411163637 /nfs/dbraw/zinc/16/36/37/411163637.db2.gz IWTOQPBEGMNIJD-JHJVBQTASA-N 1 0 211.349 2.412 10 0 BEAERO C[C@H]([NH3+])CNc1ccc2ccc(F)cc2n1 ZINC000212275532 411145200 /nfs/dbraw/zinc/14/52/00/411145200.db2.gz ALEUDMDSLAJGKX-QMMMGPOBSA-N 1 0 219.263 2.133 10 0 BEAERO CC1(C)CN(c2nccc3ccccc32)CC[NH2+]1 ZINC000212778905 411149603 /nfs/dbraw/zinc/14/96/03/411149603.db2.gz FVKUZTHKAMXYHX-UHFFFAOYSA-N 1 0 241.338 2.423 10 0 BEAERO CCC1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000069733869 411158790 /nfs/dbraw/zinc/15/87/90/411158790.db2.gz WLPIVXQDBHQELU-UHFFFAOYSA-N 1 0 226.364 2.200 10 0 BEAERO CC[NH+](CC)[C@H]1CCc2cc(OC)ccc2[C@H]1N ZINC000019391665 169802007 /nfs/dbraw/zinc/80/20/07/169802007.db2.gz HAQULEWXGIIKQK-LSDHHAIUSA-N 1 0 248.370 2.352 10 0 BEAERO CC1CC(c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000309524419 411162563 /nfs/dbraw/zinc/16/25/63/411162563.db2.gz UPIFHBFOVCJMBZ-HACHORDNSA-N 1 0 207.277 2.008 10 0 BEAERO CC[NH+](CC)[C@H]1CNc2ccccc2C1 ZINC000037761064 169802983 /nfs/dbraw/zinc/80/29/83/169802983.db2.gz KBLVPJKHIMZRGI-GFCCVEGCSA-N 1 0 204.317 2.365 10 0 BEAERO CCC(CC)C[NH2+]Cc1ncnn1C(C)C ZINC000130321575 411180566 /nfs/dbraw/zinc/18/05/66/411180566.db2.gz IBZURDVVPDNRNG-UHFFFAOYSA-N 1 0 224.352 2.385 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCCC[C@H]1C ZINC000129082029 411217974 /nfs/dbraw/zinc/21/79/74/411217974.db2.gz UBDUPXUDLQCEBK-NEPJUHHUSA-N 1 0 226.364 2.151 10 0 BEAERO CCC(CC)(CC)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129102295 411225367 /nfs/dbraw/zinc/22/53/67/411225367.db2.gz XEWKJSXKDBFYCN-NSHDSACASA-N 1 0 228.380 2.445 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC1(C)C ZINC000129135772 411232673 /nfs/dbraw/zinc/23/26/73/411232673.db2.gz GKVPZYOKROZGRF-QWRGUYRKSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000049566415 411240509 /nfs/dbraw/zinc/24/05/09/411240509.db2.gz XIUZBCHEGVAMOT-YUTCNCBUSA-N 1 0 237.343 2.494 10 0 BEAERO CC(C)n1ccc([C@H]2[NH2+]C[C@@]23CCOC3)c1 ZINC000536959466 411266149 /nfs/dbraw/zinc/26/61/49/411266149.db2.gz KPEZWJHBOSQLCB-CHWSQXEVSA-N 1 0 220.316 2.120 10 0 BEAERO Clc1ccccc1C1(N[C@@H]2CC[NH2+]C2)CC1 ZINC000215906362 411282098 /nfs/dbraw/zinc/28/20/98/411282098.db2.gz HYKJCUYYPIUCEH-SNVBAGLBSA-N 1 0 236.746 2.281 10 0 BEAERO CC1(C)[C@H]([NH2+]CCc2ccoc2)[C@H]2CCO[C@H]21 ZINC000658202952 411292325 /nfs/dbraw/zinc/29/23/25/411292325.db2.gz VYPDIMDETSAQCA-JHJVBQTASA-N 1 0 235.327 2.225 10 0 BEAERO CC1(C)CCCN1C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000063075191 167900342 /nfs/dbraw/zinc/90/03/42/167900342.db2.gz ILESRTVFHPUXLV-RYUDHWBXSA-N 1 0 238.375 2.153 10 0 BEAERO CN(CC(C)(C)[NH3+])c1ccc2ccccc2n1 ZINC000656609106 411307906 /nfs/dbraw/zinc/30/79/06/411307906.db2.gz MJTSTMKMVGYZSQ-UHFFFAOYSA-N 1 0 229.327 2.408 10 0 BEAERO CCc1cc(CC)nc(NCC2([NH3+])CCCC2)n1 ZINC000656610423 411308438 /nfs/dbraw/zinc/30/84/38/411308438.db2.gz FLONGEOBELKOMA-UHFFFAOYSA-N 1 0 248.374 2.285 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658241541 411309091 /nfs/dbraw/zinc/30/90/91/411309091.db2.gz XWJJXGWWHULTBJ-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658241542 411309556 /nfs/dbraw/zinc/30/95/56/411309556.db2.gz XWJJXGWWHULTBJ-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+]C1(CNc2ncnc3sccc32)CCCC1 ZINC000656611045 411309626 /nfs/dbraw/zinc/30/96/26/411309626.db2.gz ZGINHISSGXWKJL-UHFFFAOYSA-N 1 0 248.355 2.375 10 0 BEAERO CC[N@@H+](Cc1ccccn1)C[C@H]1CCC[C@H](O)C1 ZINC000311056568 411309833 /nfs/dbraw/zinc/30/98/33/411309833.db2.gz YHJSSQKQJUMZFZ-ZFWWWQNUSA-N 1 0 248.370 2.455 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000658243382 411310169 /nfs/dbraw/zinc/31/01/69/411310169.db2.gz CUEBQSVKRGGZTG-CHWSQXEVSA-N 1 0 246.354 2.124 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1F ZINC000128868712 411260589 /nfs/dbraw/zinc/26/05/89/411260589.db2.gz LTZXBHPSSRBUIU-SNVBAGLBSA-N 1 0 224.279 2.138 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(F)c1 ZINC000128865111 411260649 /nfs/dbraw/zinc/26/06/49/411260649.db2.gz HUCDRLSQOUHGAV-LLVKDONJSA-N 1 0 224.279 2.138 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000658350387 411351850 /nfs/dbraw/zinc/35/18/50/411351850.db2.gz DENSHFPPIHJSAZ-HGMXIMQMSA-N 1 0 231.339 2.425 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(CO)C1)CC2 ZINC000658350691 411352256 /nfs/dbraw/zinc/35/22/56/411352256.db2.gz HHLDPQHZASJUJF-HGMXIMQMSA-N 1 0 231.339 2.343 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658351275 411353961 /nfs/dbraw/zinc/35/39/61/411353961.db2.gz MDCHNQNILQNQCR-HIFPTAJRSA-N 1 0 219.328 2.417 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cccc(F)c1F ZINC000658352742 411355382 /nfs/dbraw/zinc/35/53/82/411355382.db2.gz AFXSDFWGRYNOBI-XNWIYYODSA-N 1 0 241.281 2.386 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cccs1 ZINC000658352905 411356491 /nfs/dbraw/zinc/35/64/91/411356491.db2.gz ZUVWEXNPZVRQHK-XNWIYYODSA-N 1 0 211.330 2.170 10 0 BEAERO CC(C)[NH2+]CCC(=O)N[C@H](C)C1CCCC1 ZINC000069805590 411359719 /nfs/dbraw/zinc/35/97/19/411359719.db2.gz ZDACEGPKRWCVOF-LLVKDONJSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H]1CCCN(c2ccc(Cl)cn2)[C@@H]1C[NH3+] ZINC000069727500 411359908 /nfs/dbraw/zinc/35/99/08/411359908.db2.gz HWKVIMQKGDLMJN-MWLCHTKSSA-N 1 0 239.750 2.299 10 0 BEAERO CCc1csc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000069727537 411360374 /nfs/dbraw/zinc/36/03/74/411360374.db2.gz AJYUQDFLIQHCIB-ONGXEEELSA-N 1 0 239.388 2.269 10 0 BEAERO CC(C)[C@H]1CCCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000130854906 411366106 /nfs/dbraw/zinc/36/61/06/411366106.db2.gz HFYCWXPCLCNSTA-NEPJUHHUSA-N 1 0 240.391 2.445 10 0 BEAERO CC1(C)C[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300358532 167986751 /nfs/dbraw/zinc/98/67/51/167986751.db2.gz ICTSTSZCNKMTSM-DDHJBXDOSA-N 1 0 223.360 2.436 10 0 BEAERO CC1(C)[C@H](O)CC[N@@H+]1C[C@H]1CCCC1(F)F ZINC000336144830 168007881 /nfs/dbraw/zinc/00/78/81/168007881.db2.gz VCHWVSQPWLTLOC-NXEZZACHSA-N 1 0 233.302 2.267 10 0 BEAERO CC1(C[C@@H]([NH3+])c2ccccc2Cl)OCCO1 ZINC000041285751 168052114 /nfs/dbraw/zinc/05/21/14/168052114.db2.gz RUCQYUZHQOXSRP-LLVKDONJSA-N 1 0 241.718 2.493 10 0 BEAERO CC(C)(C)OC(=O)NC1CCC(C)([NH3+])CC1 ZINC000082350242 168052883 /nfs/dbraw/zinc/05/28/83/168052883.db2.gz FSQJPMKIRFIPTK-UHFFFAOYSA-N 1 0 228.336 2.171 10 0 BEAERO CC[C@H](NC(=O)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000062116852 411348898 /nfs/dbraw/zinc/34/88/98/411348898.db2.gz WBJFFNGCWXVIQW-STQMWFEESA-N 1 0 238.375 2.071 10 0 BEAERO CC1(O)CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000336144730 168066278 /nfs/dbraw/zinc/06/62/78/168066278.db2.gz QCCSPCRFJMQPCT-SNVBAGLBSA-N 1 0 233.302 2.269 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCC2CCC2)C1 ZINC000659362006 411377238 /nfs/dbraw/zinc/37/72/38/411377238.db2.gz NJSIXZBGQDYBMB-OLZOCXBDSA-N 1 0 238.375 2.200 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC(C)C1 ZINC000348117634 168147252 /nfs/dbraw/zinc/14/72/52/168147252.db2.gz MFRTUJKJUBXLEP-KPFVRQRISA-N 1 0 211.349 2.436 10 0 BEAERO CC1CCC(C[NH3+])(c2ccncc2)CC1 ZINC000077298228 168153557 /nfs/dbraw/zinc/15/35/57/168153557.db2.gz AFGPNKUHINLIES-UHFFFAOYSA-N 1 0 204.317 2.488 10 0 BEAERO CC1CCC(C[NH2+]CCC(=O)NC2CC2)CC1 ZINC000063145360 168155202 /nfs/dbraw/zinc/15/52/02/168155202.db2.gz IDQSKZZKCJHEIL-UHFFFAOYSA-N 1 0 238.375 2.071 10 0 BEAERO CC1CCC(C[NH2+]CCc2cnccn2)CC1 ZINC000341302540 168155604 /nfs/dbraw/zinc/15/56/04/168155604.db2.gz RIEYQWXLLCQEIS-UHFFFAOYSA-N 1 0 233.359 2.435 10 0 BEAERO CC1CCC(CO)([NH2+]Cc2ccc(O)cc2)CC1 ZINC000053112801 168156678 /nfs/dbraw/zinc/15/66/78/168156678.db2.gz LPEUADYAQRHFAU-UHFFFAOYSA-N 1 0 249.354 2.423 10 0 BEAERO CC1CCC([N@H+](C)[C@@H]2CCC[C@@H]2N)CC1 ZINC000042487646 168159934 /nfs/dbraw/zinc/15/99/34/168159934.db2.gz ZHEDRJHOONJBHM-IFWUJCSASA-N 1 0 210.365 2.377 10 0 BEAERO CC1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040458664 168161980 /nfs/dbraw/zinc/16/19/80/168161980.db2.gz UXYFXSUUVOULGI-VQXHTEKXSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)N(C)C(=O)C[NH2+]C1CCC(C)CC1 ZINC000020050253 168163163 /nfs/dbraw/zinc/16/31/63/168163163.db2.gz XNNFNHUYNBDDSZ-UHFFFAOYSA-N 1 0 226.364 2.022 10 0 BEAERO CC1CCC(OCc2cccnc2C(N)=[NH2+])CC1 ZINC000061658611 168168559 /nfs/dbraw/zinc/16/85/59/168168559.db2.gz MIYPGSTUCROHDS-UHFFFAOYSA-N 1 0 247.342 2.461 10 0 BEAERO CC1CC[NH+](C[C@H](O)c2cccc(N)c2)CC1 ZINC000019731504 168182813 /nfs/dbraw/zinc/18/28/13/168182813.db2.gz BHBZITYFJNFYOR-AWEZNQCLSA-N 1 0 234.343 2.034 10 0 BEAERO CC1CCN([C@@H]2COc3ccccc3[C@H]2[NH3+])CC1 ZINC000019272114 168185949 /nfs/dbraw/zinc/18/59/49/168185949.db2.gz ODRLCXPWCDQCLZ-UKRRQHHQSA-N 1 0 246.354 2.179 10 0 BEAERO CC1CC[NH+]([C@@H](CN)C2CCCC2)CC1 ZINC000050272021 168186675 /nfs/dbraw/zinc/18/66/75/168186675.db2.gz DDFIQISDMOKNIK-ZDUSSCGKSA-N 1 0 210.365 2.236 10 0 BEAERO CCC(=O)N(CCC[NH3+])c1ccc(CC)cc1 ZINC000020233913 168213419 /nfs/dbraw/zinc/21/34/19/168213419.db2.gz YAYHWBTYFIMBTC-UHFFFAOYSA-N 1 0 234.343 2.341 10 0 BEAERO CCC(=O)c1cc2ccc(C(N)=[NH2+])cc2[nH]1 ZINC000026745911 168254313 /nfs/dbraw/zinc/25/43/13/168254313.db2.gz MUIPXQPVWYRDNF-UHFFFAOYSA-N 1 0 215.256 2.045 10 0 in-vivo BEAERO CCC(=O)c1ccc(NCC[NH+](C)C)cc1 ZINC000071522672 168255978 /nfs/dbraw/zinc/25/59/78/168255978.db2.gz QLTNWSGINWXDCZ-UHFFFAOYSA-N 1 0 220.316 2.253 10 0 BEAERO CCC(=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000003621460 168256977 /nfs/dbraw/zinc/25/69/77/168256977.db2.gz VXBVLTCCIAYZCD-UHFFFAOYSA-N 1 0 221.300 2.220 10 0 BEAERO CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123249201 168262539 /nfs/dbraw/zinc/26/25/39/168262539.db2.gz GKJRJDWAGKFASB-NEPJUHHUSA-N 1 0 240.391 2.364 10 0 BEAERO CCC(C)(C)C(=O)NC[C@H]1CCC[C@H](C)[NH2+]1 ZINC000054402288 168266724 /nfs/dbraw/zinc/26/67/24/168266724.db2.gz RKZPJBLUPPPURH-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000054402261 168267795 /nfs/dbraw/zinc/26/77/95/168267795.db2.gz KCVLKJXHWYAECM-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123488040 168289508 /nfs/dbraw/zinc/28/95/08/168289508.db2.gz TYHONJNEWXAVPB-UHFFFAOYSA-N 1 0 238.375 2.167 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339512681 168290329 /nfs/dbraw/zinc/29/03/29/168290329.db2.gz QGGHZSPMSZXIJJ-UHFFFAOYSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)NC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055145501 168293504 /nfs/dbraw/zinc/29/35/04/168293504.db2.gz FDTQABAYCZPOEW-GHMZBOCLSA-N 1 0 226.364 2.056 10 0 BEAERO CCN(CC[NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000053344606 169845867 /nfs/dbraw/zinc/84/58/67/169845867.db2.gz HDVVANMVGQSQAA-CQSZACIVSA-N 1 0 248.370 2.139 10 0 BEAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)C1CCCC1 ZINC000070307575 411401972 /nfs/dbraw/zinc/40/19/72/411401972.db2.gz LEFMPTHQCONEAI-PKSQDBQZSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)CC1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000659384295 411408531 /nfs/dbraw/zinc/40/85/31/411408531.db2.gz WDZFBHWLXMIMOV-VXGBXAGGSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)CSCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000397229552 411410228 /nfs/dbraw/zinc/41/02/28/411410228.db2.gz PSJBNHUWGZNXHT-VXGBXAGGSA-N 1 0 231.405 2.269 10 0 BEAERO C[N@@H+]1CCCOC[C@H]1c1cccc2ccnnc21 ZINC000616648176 411411925 /nfs/dbraw/zinc/41/19/25/411411925.db2.gz AEGYTYCWBFEMKT-ZDUSSCGKSA-N 1 0 243.310 2.023 10 0 BEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1ccc(C)c(C)c1 ZINC000042441557 169879707 /nfs/dbraw/zinc/87/97/07/169879707.db2.gz FLHKIQMRNNWPOW-NSHDSACASA-N 1 0 248.370 2.360 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000306026081 411430863 /nfs/dbraw/zinc/43/08/63/411430863.db2.gz MVAHUJREMSEMNQ-TZMCWYRMSA-N 1 0 233.355 2.323 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000122581919 411432741 /nfs/dbraw/zinc/43/27/41/411432741.db2.gz DDHKIAONWRMOGX-VXGBXAGGSA-N 1 0 248.374 2.448 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000122556501 411433148 /nfs/dbraw/zinc/43/31/48/411433148.db2.gz HTQZFQSDXMMPHS-NSHDSACASA-N 1 0 234.347 2.072 10 0 BEAERO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)C(C)(C)C ZINC000122644495 411434713 /nfs/dbraw/zinc/43/47/13/411434713.db2.gz STMJRRQTQZISNX-DGCLKSJQSA-N 1 0 248.370 2.280 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000122751155 411435032 /nfs/dbraw/zinc/43/50/32/411435032.db2.gz CFCUGGXBOUYFHX-VHSXEESVSA-N 1 0 236.363 2.446 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H](C)CCC[NH3+])n1 ZINC000122748134 411435293 /nfs/dbraw/zinc/43/52/93/411435293.db2.gz JVDYYIHOHRSUKK-SNVBAGLBSA-N 1 0 236.363 2.448 10 0 BEAERO CCN(Cc1cccc(C)c1)C(=O)C[C@@H](C)[NH3+] ZINC000037808671 169910484 /nfs/dbraw/zinc/91/04/84/169910484.db2.gz DSWSQIJCJQTRFQ-GFCCVEGCSA-N 1 0 234.343 2.081 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(Cl)cn1 ZINC000658354217 411475023 /nfs/dbraw/zinc/47/50/23/411475023.db2.gz YBEMTTZVQCHRNT-FKTRJACZSA-N 1 0 240.734 2.157 10 0 BEAERO CC[NH+]1CCC(O)(Cc2ccc(C)cc2)CC1 ZINC000037716981 169957632 /nfs/dbraw/zinc/95/76/32/169957632.db2.gz LLGLWMWYZLTGEH-UHFFFAOYSA-N 1 0 233.355 2.384 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CCO1 ZINC000069889598 411504554 /nfs/dbraw/zinc/50/45/54/411504554.db2.gz PFNCIZFFPXKDQU-UPJWGTAASA-N 1 0 227.348 2.103 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccc(Cl)s1 ZINC000083357746 170000598 /nfs/dbraw/zinc/00/05/98/170000598.db2.gz VSFWSQMZPPHCIT-QMMMGPOBSA-N 1 0 230.764 2.368 10 0 BEAERO CCN1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328464202 170011986 /nfs/dbraw/zinc/01/19/86/170011986.db2.gz IOZYHDUGJQHWSX-QWHCGFSZSA-N 1 0 208.349 2.027 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000328200514 170022634 /nfs/dbraw/zinc/02/26/34/170022634.db2.gz RUQXYLCEWICUMR-QWRGUYRKSA-N 1 0 208.305 2.024 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000328221132 170022838 /nfs/dbraw/zinc/02/28/38/170022838.db2.gz YNAFHMLVFUQQTA-RQJABVFESA-N 1 0 224.392 2.495 10 0 BEAERO CC[N@@H+]1CCc2nc(NC(C)C)sc2C1 ZINC000061714488 170025489 /nfs/dbraw/zinc/02/54/89/170025489.db2.gz KDLDPVYYIBONBE-UHFFFAOYSA-N 1 0 225.361 2.341 10 0 BEAERO CCN1C[C@@H](C)[N@@H+](C2CCCC2)C[C@H]1C ZINC000336351902 170027839 /nfs/dbraw/zinc/02/78/39/170027839.db2.gz WMQHMSKQWGEALE-VXGBXAGGSA-N 1 0 210.365 2.344 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2occc2C)C1 ZINC000336782158 170029844 /nfs/dbraw/zinc/02/98/44/170029844.db2.gz WURMNDQWIGHFNY-NEPJUHHUSA-N 1 0 222.332 2.018 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000336761689 170031309 /nfs/dbraw/zinc/03/13/09/170031309.db2.gz NBAPERNKSXZUFC-VXGBXAGGSA-N 1 0 210.365 2.106 10 0 BEAERO CCN1C[C@H]([NH2+]C2CCCCC2)[C@@H](C)C1 ZINC000309055318 170035153 /nfs/dbraw/zinc/03/51/53/170035153.db2.gz UDIUNUBOGFKDCE-AAEUAGOBSA-N 1 0 210.365 2.249 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H](C)CC2CC2)[C@@H](C)C1 ZINC000309066132 170037616 /nfs/dbraw/zinc/03/76/16/170037616.db2.gz ZNKRKHLHGCFOGM-GVXVVHGQSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000309955239 170037996 /nfs/dbraw/zinc/03/79/96/170037996.db2.gz IANZHFOYQPBCCB-XQQFMLRXSA-N 1 0 242.432 2.202 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2sccc2C)C1 ZINC000309674589 170038227 /nfs/dbraw/zinc/03/82/27/170038227.db2.gz XGWXXPUGQIRWHZ-NWDGAFQWSA-N 1 0 238.400 2.486 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC000309065257 170038897 /nfs/dbraw/zinc/03/88/97/170038897.db2.gz YYBZOSXJDPEVFO-CMPLNLGQSA-N 1 0 224.373 2.178 10 0 BEAERO CCNC(=[NH2+])N1CC[C@@H](c2ccccc2)C1 ZINC000052040307 170041630 /nfs/dbraw/zinc/04/16/30/170041630.db2.gz PLQQLVISCYETIA-GFCCVEGCSA-N 1 0 217.316 2.020 10 0 BEAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000076634660 170052771 /nfs/dbraw/zinc/05/27/71/170052771.db2.gz LTABJPWBXIANRP-ZDUSSCGKSA-N 1 0 248.370 2.262 10 0 BEAERO CCNC(=O)CC[C@@H](C[NH3+])C1CCCCC1 ZINC000076612370 170053056 /nfs/dbraw/zinc/05/30/56/170053056.db2.gz KJAIXWHCENWMKG-LBPRGKRZSA-N 1 0 226.364 2.058 10 0 BEAERO CCNC(=O)[C@H](CCC[NH3+])C1CCCCC1 ZINC000076612327 170097481 /nfs/dbraw/zinc/09/74/81/170097481.db2.gz DKRVLGMEFQNLFR-GFCCVEGCSA-N 1 0 226.364 2.058 10 0 BEAERO CCNC(=O)[C@H](CC[NH3+])c1ccc(C(C)C)cc1 ZINC000076634052 170097981 /nfs/dbraw/zinc/09/79/81/170097981.db2.gz MOHQHCAMVIMDAZ-CQSZACIVSA-N 1 0 248.370 2.379 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCCCCCC1 ZINC000061288362 170106243 /nfs/dbraw/zinc/10/62/43/170106243.db2.gz CEKNTYAYXZINRG-UHFFFAOYSA-N 1 0 226.364 2.167 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(C)c1ccccc1 ZINC000061278521 170106624 /nfs/dbraw/zinc/10/66/24/170106624.db2.gz NDCRNEBRSNXZFG-UHFFFAOYSA-N 1 0 220.316 2.038 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000061299430 170106832 /nfs/dbraw/zinc/10/68/32/170106832.db2.gz XPVWELSOXIEABT-GHMZBOCLSA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(OC)cc1 ZINC000061278414 170107008 /nfs/dbraw/zinc/10/70/08/170107008.db2.gz OZDYXHNCXLBMDW-UHFFFAOYSA-N 1 0 236.315 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000061299147 170107233 /nfs/dbraw/zinc/10/72/33/170107233.db2.gz YYOFHAJTYQAPEJ-NEPJUHHUSA-N 1 0 240.391 2.317 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000061291722 170107376 /nfs/dbraw/zinc/10/73/76/170107376.db2.gz GHZAOKGWKPPPPV-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO CC[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000037242287 170108315 /nfs/dbraw/zinc/10/83/15/170108315.db2.gz MKUWWVWTVFZJJJ-UHFFFAOYSA-N 1 0 236.334 2.400 10 0 BEAERO CC[NH2+]C1CCN([C@H](C)c2ccco2)CC1 ZINC000035739390 170109768 /nfs/dbraw/zinc/10/97/68/170109768.db2.gz VMAVEIWXMANYTF-LLVKDONJSA-N 1 0 222.332 2.415 10 0 BEAERO CC[NH2+]CC(=O)c1cc(C)c(OCC)cc1C ZINC000049827496 170110154 /nfs/dbraw/zinc/11/01/54/170110154.db2.gz FIWMTZRNFJLLHG-UHFFFAOYSA-N 1 0 235.327 2.494 10 0 BEAERO CC[NH2+]CC(=O)c1ccc(Br)cc1 ZINC000041612054 170110982 /nfs/dbraw/zinc/11/09/82/170110982.db2.gz IVFODHCKCDNGKK-UHFFFAOYSA-N 1 0 242.116 2.241 10 0 BEAERO CC[NH2+]CCC(=O)Nc1ccccc1OCC ZINC000061286763 170111399 /nfs/dbraw/zinc/11/13/99/170111399.db2.gz AKPSEGKMRLNFRO-UHFFFAOYSA-N 1 0 236.315 2.023 10 0 BEAERO CC[NH2+]CCC(=O)N(C)c1ccc(CC)cc1 ZINC000061299313 170112022 /nfs/dbraw/zinc/11/20/22/170112022.db2.gz KFQDMTFPJXBGCD-UHFFFAOYSA-N 1 0 234.343 2.211 10 0 BEAERO CC[NH2+]CCN1CCc2sccc2[C@@H]1C ZINC000044415906 170113629 /nfs/dbraw/zinc/11/36/29/170113629.db2.gz DEJVCKOIGDHDSV-JTQLQIEISA-N 1 0 224.373 2.277 10 0 BEAERO CC[NH2+]CCCc1nnc(-c2ccccc2)o1 ZINC000050616879 170113719 /nfs/dbraw/zinc/11/37/19/170113719.db2.gz RLOWBTDASULQAZ-UHFFFAOYSA-N 1 0 231.299 2.279 10 0 BEAERO CC[NH2+]CCc1c[nH]c2c1cccc2F ZINC000082593831 170117140 /nfs/dbraw/zinc/11/71/40/170117140.db2.gz MQXVHQJWDNPQCM-UHFFFAOYSA-N 1 0 206.264 2.459 10 0 BEAERO CC[NH2+]CCc1cc(OC)c(C)cc1OC ZINC000107287644 170117203 /nfs/dbraw/zinc/11/72/03/170117203.db2.gz RKEPLRIRLPYZIR-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)CC(C)C ZINC000061236105 170118073 /nfs/dbraw/zinc/11/80/73/170118073.db2.gz KPMUIPWONZGGIB-VXGBXAGGSA-N 1 0 228.380 2.125 10 0 BEAERO CC[NH2+]CCc1cn(C)c2ccccc12 ZINC000036154791 170117829 /nfs/dbraw/zinc/11/78/29/170117829.db2.gz RAGMNIJAPNIBPQ-UHFFFAOYSA-N 1 0 202.301 2.330 10 0 BEAERO CC[NH2+]CCc1nnc(-c2ccc(C)cc2)o1 ZINC000050619686 170117898 /nfs/dbraw/zinc/11/78/98/170117898.db2.gz ZCOZHLKOSVYQRD-UHFFFAOYSA-N 1 0 231.299 2.197 10 0 BEAERO CC[NH2+]CCc1nc2cc(C)c(C)cc2[nH]1 ZINC000051848050 170117906 /nfs/dbraw/zinc/11/79/06/170117906.db2.gz PZNDRQYBURTWDE-UHFFFAOYSA-N 1 0 217.316 2.332 10 0 BEAERO CC[NH2+]CCc1nnc(-c2cc(C)oc2C)o1 ZINC000050619880 170118028 /nfs/dbraw/zinc/11/80/28/170118028.db2.gz MOFDSTRJOOKUCD-UHFFFAOYSA-N 1 0 235.287 2.098 10 0 BEAERO CC[NH2+]CCn1ccc2ccc(F)cc21 ZINC000053528225 170118403 /nfs/dbraw/zinc/11/84/03/170118403.db2.gz OAMAPJWQZCEQGW-UHFFFAOYSA-N 1 0 206.264 2.390 10 0 BEAERO CC[NH2+]CCc1csc(-c2ccncc2)n1 ZINC000076783248 170118517 /nfs/dbraw/zinc/11/85/17/170118517.db2.gz DFJRHCYGYKDWPK-UHFFFAOYSA-N 1 0 233.340 2.357 10 0 BEAERO CC[NH2+]C[C@@H](C)c1nc2ccc(F)cc2n1C ZINC000061219467 170119203 /nfs/dbraw/zinc/11/92/03/170119203.db2.gz QRTXHWZHGNCQIT-SECBINFHSA-N 1 0 235.306 2.425 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000061227855 170119218 /nfs/dbraw/zinc/11/92/18/170119218.db2.gz BGSCAWMIMGMWJR-GFCCVEGCSA-N 1 0 234.343 2.488 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(OCC)c(C)c1 ZINC000071531153 170120293 /nfs/dbraw/zinc/12/02/93/170120293.db2.gz RDIVAKTZJYSROY-GFCCVEGCSA-N 1 0 223.316 2.037 10 0 BEAERO CC[NH2+]C[C@@H](c1ccccc1)n1cc(C)cn1 ZINC000052577033 170120346 /nfs/dbraw/zinc/12/03/46/170120346.db2.gz AINUZGYFLMBWGN-AWEZNQCLSA-N 1 0 229.327 2.390 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000054590414 170120787 /nfs/dbraw/zinc/12/07/87/170120787.db2.gz SJEYCCXWIJDCES-NWDGAFQWSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000061234544 170121842 /nfs/dbraw/zinc/12/18/42/170121842.db2.gz YGWXEYJMYGFVMD-STQMWFEESA-N 1 0 248.370 2.418 10 0 BEAERO CC[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000032102192 170121843 /nfs/dbraw/zinc/12/18/43/170121843.db2.gz ZDGKDVOLKBDSJD-AWEZNQCLSA-N 1 0 245.322 2.189 10 0 BEAERO CC[NH2+]C[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000053696200 170123005 /nfs/dbraw/zinc/12/30/05/170123005.db2.gz GROKVICPHLOXIP-CYBMUJFWSA-N 1 0 233.359 2.216 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1ccc(C)cc1C ZINC000055032900 170123236 /nfs/dbraw/zinc/12/32/36/170123236.db2.gz GJQODBQSABUJGW-ZDUSSCGKSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000054590737 170123287 /nfs/dbraw/zinc/12/32/87/170123287.db2.gz DUMOWBXPKSOZKH-BXUZGUMPSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1ccc(Cl)cc1 ZINC000032012878 170123421 /nfs/dbraw/zinc/12/34/21/170123421.db2.gz QOCNTUNCBKBUTR-NSHDSACASA-N 1 0 213.708 2.157 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@]1(C)c1ccc2c(c1)OCCO2 ZINC000054591228 170123636 /nfs/dbraw/zinc/12/36/36/170123636.db2.gz RFBQESDDOUTGCX-DOMZBBRYSA-N 1 0 247.338 2.345 10 0 BEAERO CC[NH2+]C[C@](O)(CC)c1ccc(CC)cc1 ZINC000032014068 170123804 /nfs/dbraw/zinc/12/38/04/170123804.db2.gz WBYFHVZLUOMXST-CQSZACIVSA-N 1 0 221.344 2.456 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1cc(OC)cc(OC)c1 ZINC000054590741 170123827 /nfs/dbraw/zinc/12/38/27/170123827.db2.gz DUMOWBXPKSOZKH-RISCZKNCSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]Cc1c(C)nc(C2CC2)nc1C ZINC000054854128 170124036 /nfs/dbraw/zinc/12/40/36/170124036.db2.gz VTTIJWSKJHTFQE-UHFFFAOYSA-N 1 0 205.305 2.080 10 0 BEAERO CC[NH2+]Cc1cnc(-c2ccccc2OC)[nH]1 ZINC000062821057 170124865 /nfs/dbraw/zinc/12/48/65/170124865.db2.gz VGNKIKCOKUGBIJ-UHFFFAOYSA-N 1 0 231.299 2.195 10 0 BEAERO CC[NH2+]Cc1cc(C)ccc1O[C@H]1CCC[C@@H]1O ZINC000071403910 170125001 /nfs/dbraw/zinc/12/50/01/170125001.db2.gz MSPQSAMPCBCCSI-ZFWWWQNUSA-N 1 0 249.354 2.397 10 0 BEAERO CC[NH2+]Cc1cc2ccnc(Cl)c2[nH]1 ZINC000142425523 170126153 /nfs/dbraw/zinc/12/61/53/170126153.db2.gz PRMXVIQGWBOELO-UHFFFAOYSA-N 1 0 209.680 2.326 10 0 BEAERO CC[NH2+]Cc1ccccc1-n1ccc(C)n1 ZINC000052884761 170128144 /nfs/dbraw/zinc/12/81/44/170128144.db2.gz UVXNDUYRUAQMGC-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCCC1 ZINC000034652248 170128269 /nfs/dbraw/zinc/12/82/69/170128269.db2.gz SJGGVQLTLKBWOH-UHFFFAOYSA-N 1 0 204.317 2.396 10 0 BEAERO CC[NH2+]Cc1ccccc1Sc1nncn1C ZINC000104284993 170129052 /nfs/dbraw/zinc/12/90/52/170129052.db2.gz UEQAMDURUNXHJZ-UHFFFAOYSA-N 1 0 248.355 2.076 10 0 BEAERO CC[NH2+]Cc1ccnc(-n2cc(Cl)cn2)c1 ZINC000051492565 170129248 /nfs/dbraw/zinc/12/92/48/170129248.db2.gz CCNIIMRVUIDEGE-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1cn2c(C)c(C)sc2n1 ZINC000076789550 170129614 /nfs/dbraw/zinc/12/96/14/170129614.db2.gz XVDBFOSRYAPGQW-UHFFFAOYSA-N 1 0 209.318 2.122 10 0 BEAERO CC[NH2+]Cc1csc(-c2ccncc2)n1 ZINC000040999623 170130075 /nfs/dbraw/zinc/13/00/75/170130075.db2.gz CGORANQQYZCUHM-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccc(C)cc2)c1 ZINC000040932366 170130540 /nfs/dbraw/zinc/13/05/40/170130540.db2.gz RVIPHLSZQDGZQN-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1csc([C@@H]2CCCO2)n1 ZINC000062214637 170131071 /nfs/dbraw/zinc/13/10/71/170131071.db2.gz AVEYJCONPYWKTG-VIFPVBQESA-N 1 0 212.318 2.104 10 0 BEAERO CC[NH2+]Cc1sc(C2CC2)nc1COC ZINC000082445978 170133151 /nfs/dbraw/zinc/13/31/51/170133151.db2.gz NHZPLTSVCHEQTE-UHFFFAOYSA-N 1 0 226.345 2.276 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nc2c(cccc2F)[nH]1 ZINC000061181941 170140439 /nfs/dbraw/zinc/14/04/39/170140439.db2.gz NPMJORWGYJEGAD-QMMMGPOBSA-N 1 0 221.279 2.243 10 0 BEAERO CC[NH2+][C@@H](C)[C@H](C)N1CCC(C)(C)CC1 ZINC000061819761 170140982 /nfs/dbraw/zinc/14/09/82/170140982.db2.gz WTRLLOAURGPWPF-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO CC[NH2+][C@@H](C1=CCCCCC1)[C@H]1COCCO1 ZINC000055301341 170143272 /nfs/dbraw/zinc/14/32/72/170143272.db2.gz FVLGDJCSDMUJDE-KGLIPLIRSA-N 1 0 239.359 2.270 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc(C(C)C)cc1OC ZINC000071548378 170144671 /nfs/dbraw/zinc/14/46/71/170144671.db2.gz SUGYQSPXZYASPG-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+][C@@H](CCO)c1nccc2ccccc21 ZINC000095091366 170145040 /nfs/dbraw/zinc/14/50/40/170145040.db2.gz BAQPCFOATWBPDS-ZDUSSCGKSA-N 1 0 230.311 2.268 10 0 BEAERO CC[NH2+][C@@H](CCOC)Cc1csc(C)n1 ZINC000055295742 170145189 /nfs/dbraw/zinc/14/51/89/170145189.db2.gz NFSJJFSUTPIFMS-JTQLQIEISA-N 1 0 228.361 2.009 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc(OC(C)C)c(C)c1 ZINC000071548314 170145254 /nfs/dbraw/zinc/14/52/54/170145254.db2.gz RNGAGTCPZKIJHR-ZDUSSCGKSA-N 1 0 237.343 2.425 10 0 BEAERO CC[NH2+][C@@H](CN1CCCO[C@H](C)C1)C(C)(C)C ZINC000061917339 170145277 /nfs/dbraw/zinc/14/52/77/170145277.db2.gz LWDYJXBUBPVVGB-OLZOCXBDSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)Cc1ccc(F)cc1 ZINC000035570346 170146603 /nfs/dbraw/zinc/14/66/03/170146603.db2.gz XPDAOSYEEHALQZ-ZDUSSCGKSA-N 1 0 247.317 2.312 10 0 BEAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@H]1COCCO1 ZINC000055299831 170147870 /nfs/dbraw/zinc/14/78/70/170147870.db2.gz YVXOFIUWMWOAIO-ZYHUDNBSSA-N 1 0 241.356 2.123 10 0 BEAERO CC[NH2+][C@@H](c1cccs1)[C@@H]1CCOC1 ZINC000048624692 170148446 /nfs/dbraw/zinc/14/84/46/170148446.db2.gz PXMOXVRVLITBDU-MWLCHTKSSA-N 1 0 211.330 2.435 10 0 BEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000035545798 170148677 /nfs/dbraw/zinc/14/86/77/170148677.db2.gz LMVBCFISWWYWRF-GFCCVEGCSA-N 1 0 233.315 2.163 10 0 BEAERO CC[NH2+][C@@H]1CC(C)(C)Cc2nc(N)sc21 ZINC000050331393 170150037 /nfs/dbraw/zinc/15/00/37/170150037.db2.gz WUJORFQVYIINCF-SSDOTTSWSA-N 1 0 225.361 2.348 10 0 BEAERO CC[NH2+][C@@H]1CCCc2nc(CC)ncc21 ZINC000050100849 170151485 /nfs/dbraw/zinc/15/14/85/170151485.db2.gz CIVNJEBCBQHZRD-SNVBAGLBSA-N 1 0 205.305 2.026 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccccn2)C[C@@H]1C ZINC000049712749 170152642 /nfs/dbraw/zinc/15/26/42/170152642.db2.gz HGTUJNGLGSFZLV-MELADBBJSA-N 1 0 247.386 2.463 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(F)c(F)cc2F)C1 ZINC000061094232 170152928 /nfs/dbraw/zinc/15/29/28/170152928.db2.gz RVYFKVWHTURHSE-MRVPVSSYSA-N 1 0 244.260 2.292 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(F)ccc2C)C1 ZINC000037242025 170153028 /nfs/dbraw/zinc/15/30/28/170153028.db2.gz LBGYKZVKEULKQW-GFCCVEGCSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000037241486 170153131 /nfs/dbraw/zinc/15/31/31/170153131.db2.gz VPJURBQOBKAUBN-SNVBAGLBSA-N 1 0 208.280 2.014 10 0 BEAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1OCCOC ZINC000054556369 170153183 /nfs/dbraw/zinc/15/31/83/170153183.db2.gz KDNJTOVTFLELGM-MCIONIFRSA-N 1 0 243.391 2.452 10 0 BEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000043816136 170154690 /nfs/dbraw/zinc/15/46/90/170154690.db2.gz PQEVZUNPHAJIJC-ZIAGYGMSSA-N 1 0 218.344 2.214 10 0 BEAERO CCN[C@@](C)(C(=O)OC)c1cc(C)ccc1C ZINC000037446689 170155274 /nfs/dbraw/zinc/15/52/74/170155274.db2.gz RGIYHBOPNMSLFC-CQSZACIVSA-N 1 0 235.327 2.301 10 0 BEAERO CC[NH2+][C@@]1(C(N)=O)CCCC[C@@H]1C(C)(C)C ZINC000037869485 170155675 /nfs/dbraw/zinc/15/56/75/170155675.db2.gz YWWMFXSGEQKNIH-MFKMUULPSA-N 1 0 226.364 2.056 10 0 BEAERO CC[NH2+][C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091423 170156044 /nfs/dbraw/zinc/15/60/44/170156044.db2.gz XIJOIAYXSDNCDG-ZDUSSCGKSA-N 1 0 242.363 2.386 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N1CCCCCCC1 ZINC000061269294 170156762 /nfs/dbraw/zinc/15/67/62/170156762.db2.gz RDXYXQZOQJPSJU-GFCCVEGCSA-N 1 0 226.364 2.167 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000061272546 170156861 /nfs/dbraw/zinc/15/68/61/170156861.db2.gz OLMBXGBAEOZKPG-DGCLKSJQSA-N 1 0 249.358 2.066 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)c1cccc(C)c1 ZINC000061274547 170156923 /nfs/dbraw/zinc/15/69/23/170156923.db2.gz MFPBKSYOSUCSPC-GFCCVEGCSA-N 1 0 234.343 2.346 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2c(cccc2C)[nH]1 ZINC000061181992 170158654 /nfs/dbraw/zinc/15/86/54/170158654.db2.gz DULGPIJATGCUMX-SNVBAGLBSA-N 1 0 217.316 2.412 10 0 BEAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(OCC)c(C)c1 ZINC000071548295 170158730 /nfs/dbraw/zinc/15/87/30/170158730.db2.gz BMABRODWIYITKI-BXUZGUMPSA-N 1 0 237.343 2.425 10 0 BEAERO CC[NH2+][C@H](C)c1nnc(-c2ncccc2C)o1 ZINC000051813813 170159731 /nfs/dbraw/zinc/15/97/31/170159731.db2.gz CEGRZEPHIAPVQZ-SECBINFHSA-N 1 0 232.287 2.111 10 0 BEAERO O[C@@H]1CCC[C@@H](C[NH+]2CCC3(CC3)CC2)C1 ZINC000660144565 411545197 /nfs/dbraw/zinc/54/51/97/411545197.db2.gz HEYJRWYKAPXGOL-CHWSQXEVSA-N 1 0 223.360 2.414 10 0 BEAERO CC[NH2+][C@H](C)c1cnc([C@@H]2CCOC2)s1 ZINC000054160283 170159848 /nfs/dbraw/zinc/15/98/48/170159848.db2.gz JDLMJPCCHKUQMK-RKDXNWHRSA-N 1 0 226.345 2.318 10 0 BEAERO CC[NH2+][C@H](C)c1nc2c(cccc2F)n1C ZINC000062366386 170160119 /nfs/dbraw/zinc/16/01/19/170160119.db2.gz JGUIGDHKFQTJKS-MRVPVSSYSA-N 1 0 221.279 2.383 10 0 BEAERO CC[NH2+][C@H](C)c1nnc(-c2ccc(C)o2)o1 ZINC000050618812 170160219 /nfs/dbraw/zinc/16/02/19/170160219.db2.gz IBBHIGLFTYXFSJ-MRVPVSSYSA-N 1 0 221.260 2.309 10 0 BEAERO CC[NH2+][C@H](C)c1cn2c(C)csc2n1 ZINC000076788359 170160387 /nfs/dbraw/zinc/16/03/87/170160387.db2.gz KDMFMPDTEFLCEA-MRVPVSSYSA-N 1 0 209.318 2.375 10 0 BEAERO CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000038120371 170162324 /nfs/dbraw/zinc/16/23/24/170162324.db2.gz NZACPYFNQMVITC-SNVBAGLBSA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc(C(C)C)cc1OC ZINC000071548379 170162493 /nfs/dbraw/zinc/16/24/93/170162493.db2.gz SUGYQSPXZYASPG-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc(OCC)c(C)c1 ZINC000071531165 170162613 /nfs/dbraw/zinc/16/26/13/170162613.db2.gz WZEJDWRIOYWJFO-GFCCVEGCSA-N 1 0 223.316 2.037 10 0 BEAERO CC[NH2+][C@H](COC)c1ccc(OCC)cc1 ZINC000044043699 170162746 /nfs/dbraw/zinc/16/27/46/170162746.db2.gz SSFRXIIKHIAEOT-CYBMUJFWSA-N 1 0 223.316 2.382 10 0 BEAERO CC[NH2+][C@H](c1ccc(C)cc1C)[C@@H]1COCCO1 ZINC000055299977 170163054 /nfs/dbraw/zinc/16/30/54/170163054.db2.gz RKICHPIMUIPRSE-LSDHHAIUSA-N 1 0 249.354 2.369 10 0 BEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@H]1COCCO1 ZINC000055300111 170163182 /nfs/dbraw/zinc/16/31/82/170163182.db2.gz SYSMLQOFUFOBSH-HUUCEWRRSA-N 1 0 249.354 2.315 10 0 BEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C1CC1 ZINC000035556653 170163861 /nfs/dbraw/zinc/16/38/61/170163861.db2.gz OFVBWEWPVYKIHA-LBPRGKRZSA-N 1 0 232.283 2.182 10 0 BEAERO CC[NH2+][C@H](c1ccc2c(c1)oc(=O)n2C)C1CC1 ZINC000051362286 170164200 /nfs/dbraw/zinc/16/42/00/170164200.db2.gz NHZPIUMLJMEWGU-ZDUSSCGKSA-N 1 0 246.310 2.192 10 0 BEAERO CC[NH2+][C@H](c1nc(C)cs1)[C@@H]1CCOC1 ZINC000041061045 170165037 /nfs/dbraw/zinc/16/50/37/170165037.db2.gz KYJIKLBERHWDNE-ZJUUUORDSA-N 1 0 226.345 2.139 10 0 BEAERO CC[NH2+][C@H]1CCCCC[C@H]1n1ccnc1 ZINC000043992905 170165560 /nfs/dbraw/zinc/16/55/60/170165560.db2.gz WNIQRWVHPINLPW-NWDGAFQWSA-N 1 0 207.321 2.366 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@@H]1Cc1cnn(C)c1 ZINC000050540753 170165659 /nfs/dbraw/zinc/16/56/59/170165659.db2.gz KHFMCAAFEGAGCS-OLZOCXBDSA-N 1 0 221.348 2.131 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@@H]1N(CC)CCOCC ZINC000104186836 170165811 /nfs/dbraw/zinc/16/58/11/170165811.db2.gz LHNZEZRVQBDBII-KBPBESRZSA-N 1 0 242.407 2.266 10 0 BEAERO CC[NH2+][C@H]1CCN(C2CCC(C)CC2)C1 ZINC000037242067 170166837 /nfs/dbraw/zinc/16/68/37/170166837.db2.gz CWTUYBXOPCSDHW-CPCZMJQVSA-N 1 0 210.365 2.249 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@H]1c1cncnc1 ZINC000060715524 170166974 /nfs/dbraw/zinc/16/69/74/170166974.db2.gz ABZPHRGYXGURJP-RYUDHWBXSA-N 1 0 205.305 2.112 10 0 BEAERO CC[NH2+][C@H]1CCC[C@H]1n1cnc(C)c1C ZINC000051926867 170167128 /nfs/dbraw/zinc/16/71/28/170167128.db2.gz HLANFZKLEPFFIH-NWDGAFQWSA-N 1 0 207.321 2.203 10 0 BEAERO CC[NH2+][C@H]1CCC[C@H]1N1CCCCCC1 ZINC000043812172 170167202 /nfs/dbraw/zinc/16/72/02/170167202.db2.gz OKOOQYQBGZMTOQ-QWHCGFSZSA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@H]1CCC[C@H]1CN(C)Cc1cccnc1 ZINC000053867314 170167341 /nfs/dbraw/zinc/16/73/41/170167341.db2.gz BGFJEXBXUSHEMG-GJZGRUSLSA-N 1 0 247.386 2.292 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000037241518 170167929 /nfs/dbraw/zinc/16/79/29/170167929.db2.gz PRWLBWZPPOGXGA-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(F)cc2C)C1 ZINC000037241419 170168182 /nfs/dbraw/zinc/16/81/82/170168182.db2.gz XQNVVZLMJOVELM-LBPRGKRZSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@H]1CCN([C@H](C)CCCC(C)C)C1=O ZINC000049649118 170168257 /nfs/dbraw/zinc/16/82/57/170168257.db2.gz RBKACTIUXQNQFX-OLZOCXBDSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@H]1CCc2c1cc(OC)cc2OC ZINC000042405294 170168584 /nfs/dbraw/zinc/16/85/84/170168584.db2.gz IJJWHNVDODWGRO-LBPRGKRZSA-N 1 0 221.300 2.301 10 0 BEAERO CC[NH2+][C@H]1CCOc2ccc(CCOC)cc21 ZINC000035657664 170168867 /nfs/dbraw/zinc/16/88/67/170168867.db2.gz IZSHEDLANUZETO-ZDUSSCGKSA-N 1 0 235.327 2.309 10 0 BEAERO CC[NH2+][C@H]1CC[S@@](=O)c2c(C)ccc(C)c21 ZINC000040974414 170169032 /nfs/dbraw/zinc/16/90/32/170169032.db2.gz FGXHCGGUUBNRNP-ZBEGNZNMSA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000043816135 170169857 /nfs/dbraw/zinc/16/98/57/170169857.db2.gz PQEVZUNPHAJIJC-KBPBESRZSA-N 1 0 218.344 2.214 10 0 BEAERO CCNc1ccc(C[N@@H+]2CC[C@H](C)C2)cn1 ZINC000050814675 170173373 /nfs/dbraw/zinc/17/33/73/170173373.db2.gz JHNCCABKCRECMP-NSHDSACASA-N 1 0 219.332 2.355 10 0 BEAERO CC[C@]1(C)COCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000660150815 411547317 /nfs/dbraw/zinc/54/73/17/411547317.db2.gz ZWFUVOLGIBNWBI-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO CCNc1ncccc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000061933815 170178347 /nfs/dbraw/zinc/17/83/47/170178347.db2.gz RVLPTKRXZMYYGC-GFCCVEGCSA-N 1 0 249.358 2.124 10 0 BEAERO CCOC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404673 170205458 /nfs/dbraw/zinc/20/54/58/170205458.db2.gz FFQLBHBEAMGXJS-NSHDSACASA-N 1 0 237.299 2.370 10 0 BEAERO CCOC(=O)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000045686631 170208860 /nfs/dbraw/zinc/20/88/60/170208860.db2.gz QIGGKBXMENFYPN-GFCCVEGCSA-N 1 0 235.327 2.333 10 0 BEAERO CCOC(=O)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000045686634 170209171 /nfs/dbraw/zinc/20/91/71/170209171.db2.gz QIGGKBXMENFYPN-LBPRGKRZSA-N 1 0 235.327 2.333 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccc(F)cc1C ZINC000050577810 170209240 /nfs/dbraw/zinc/20/92/40/170209240.db2.gz JOWACEARARQNPU-UHFFFAOYSA-N 1 0 239.290 2.177 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1sccc1C ZINC000003028219 170209245 /nfs/dbraw/zinc/20/92/45/170209245.db2.gz UWPKYDZYYVXWMA-UHFFFAOYSA-N 1 0 227.329 2.099 10 0 BEAERO CCOC(=O)C[C@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000073653536 170233746 /nfs/dbraw/zinc/23/37/46/170233746.db2.gz FVZMRKYARCKNID-LLVKDONJSA-N 1 0 227.348 2.450 10 0 BEAERO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034463618 170234410 /nfs/dbraw/zinc/23/44/10/170234410.db2.gz ULRZIHFFTUGEJT-CQSZACIVSA-N 1 0 247.338 2.462 10 0 BEAERO CCOC(=O)N(CCC[NH3+])c1ccc(C)cc1 ZINC000036730279 170238475 /nfs/dbraw/zinc/23/84/75/170238475.db2.gz IROVJXSYEXHBED-UHFFFAOYSA-N 1 0 236.315 2.307 10 0 BEAERO CCOC(=O)N(CCC[NH3+])c1ccccc1C ZINC000036730301 170238805 /nfs/dbraw/zinc/23/88/05/170238805.db2.gz PSEPLAALPWQJKY-UHFFFAOYSA-N 1 0 236.315 2.307 10 0 BEAERO CCOC(=O)N[C@@H](C[NH3+])c1cc(C)ccc1C ZINC000049669963 170242411 /nfs/dbraw/zinc/24/24/11/170242411.db2.gz YDRNOMGECKCPST-LBPRGKRZSA-N 1 0 236.315 2.049 10 0 BEAERO CCOC(=O)[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000049954621 170269053 /nfs/dbraw/zinc/26/90/53/170269053.db2.gz FOVGNNITMZKADB-UWVGGRQHSA-N 1 0 237.299 2.037 10 0 BEAERO CCOC(=O)c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040819 170298833 /nfs/dbraw/zinc/29/88/33/170298833.db2.gz RTUOTYLBMMHWIZ-UHFFFAOYSA-N 1 0 248.326 2.027 10 0 BEAERO CCOC1CC[NH+](CC2(CO)CCCC2)CC1 ZINC000051293979 170332327 /nfs/dbraw/zinc/33/23/27/170332327.db2.gz BBHXHWOEWOQXDL-UHFFFAOYSA-N 1 0 241.375 2.040 10 0 BEAERO CCOCCC[NH2+]CC[C@@H](O)c1ccccc1 ZINC000076729240 170380509 /nfs/dbraw/zinc/38/05/09/170380509.db2.gz OKGMASXSBNNIAA-CQSZACIVSA-N 1 0 237.343 2.126 10 0 BEAERO CCOCCC[NH2+]CCOc1cccc(C)c1 ZINC000049773680 170381012 /nfs/dbraw/zinc/38/10/12/170381012.db2.gz NCZUIPQZBUGYFG-UHFFFAOYSA-N 1 0 237.343 2.390 10 0 BEAERO CCOCC[C@@H](C[NH3+])Cc1ccccc1OC ZINC000052948800 170426536 /nfs/dbraw/zinc/42/65/36/170426536.db2.gz TVTHNIKFERZDHY-GFCCVEGCSA-N 1 0 237.343 2.239 10 0 BEAERO CCC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000050540728 487536128 /nfs/dbraw/zinc/53/61/28/487536128.db2.gz LRYOHBVRAFBDAL-CHWSQXEVSA-N 1 0 221.348 2.131 10 0 BEAERO CC(C)Oc1ccccc1C[NH2+]C1CC(CO)C1 ZINC000657808378 411600825 /nfs/dbraw/zinc/60/08/25/411600825.db2.gz HFXKESLFZIOENX-UHFFFAOYSA-N 1 0 249.354 2.334 10 0 BEAERO OCC1CC([NH2+]Cc2ccsc2Cl)C1 ZINC000657810310 411602023 /nfs/dbraw/zinc/60/20/23/411602023.db2.gz AHECEBMFTRJURL-UHFFFAOYSA-N 1 0 231.748 2.262 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC(CO)C1 ZINC000657810344 411602410 /nfs/dbraw/zinc/60/24/10/411602410.db2.gz BJVOHHJEQFWVQP-XKGSQUFQSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)C(C[NH2+]C1CC(CO)C1)C(C)C ZINC000657810522 411602942 /nfs/dbraw/zinc/60/29/42/411602942.db2.gz FRUWPQZIQQQJKE-UHFFFAOYSA-N 1 0 213.365 2.275 10 0 BEAERO C[C@H]1CCC[C@@H](C[NH2+]C2CC(CO)C2)C1 ZINC000657811405 411603106 /nfs/dbraw/zinc/60/31/06/411603106.db2.gz WQLYJDYTQSMLHQ-ZFDZMSFRSA-N 1 0 211.349 2.173 10 0 BEAERO CCCOc1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000657812349 411603512 /nfs/dbraw/zinc/60/35/12/411603512.db2.gz JFPKSDICICVLIQ-UHFFFAOYSA-N 1 0 249.354 2.336 10 0 BEAERO CC(C)Oc1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000657813085 411604007 /nfs/dbraw/zinc/60/40/07/411604007.db2.gz QHACCLYNMOWDKC-UHFFFAOYSA-N 1 0 249.354 2.334 10 0 BEAERO Cc1cccc(C)c1C[NH2+]C1CC(CO)C1 ZINC000657813190 411604052 /nfs/dbraw/zinc/60/40/52/411604052.db2.gz SFCNCDBSNLJVRQ-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO Cc1cc(C)cc(C[NH2+]C2CC(CO)C2)c1 ZINC000657813116 411604122 /nfs/dbraw/zinc/60/41/22/411604122.db2.gz QMKSAGGEYSQNTP-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO OCC1CC([NH2+]Cc2cccc3cccnc32)C1 ZINC000657813086 411604325 /nfs/dbraw/zinc/60/43/25/411604325.db2.gz QHEYUPFQXUKUEY-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCCSCC1 ZINC000657833205 411609151 /nfs/dbraw/zinc/60/91/51/411609151.db2.gz NSBZMXSVSZKKKH-RYUDHWBXSA-N 1 0 229.389 2.431 10 0 BEAERO CCOC1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000657842854 411610287 /nfs/dbraw/zinc/61/02/87/411610287.db2.gz BNPFNTGWWBWKLJ-DKNRTOFZSA-N 1 0 241.375 2.227 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000657848039 411611623 /nfs/dbraw/zinc/61/16/23/411611623.db2.gz ZWBJOVVJRRKQRB-UTUOFQBUSA-N 1 0 209.333 2.212 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCC1CCC1 ZINC000660693581 411618053 /nfs/dbraw/zinc/61/80/53/411618053.db2.gz YORSMFIYLLNRAW-YPMHNXCESA-N 1 0 211.349 2.412 10 0 BEAERO CCO[C@H](C[NH3+])CCOc1ccc(F)c(F)c1 ZINC000062741789 170504068 /nfs/dbraw/zinc/50/40/68/170504068.db2.gz IDMPWACSNHMHRJ-JTQLQIEISA-N 1 0 245.269 2.098 10 0 BEAERO CCCc1nccnc1N[C@H](C)CC[NH+](C)C ZINC000663453226 411661118 /nfs/dbraw/zinc/66/11/18/411661118.db2.gz XSUQILPOCLMADX-LLVKDONJSA-N 1 0 236.363 2.181 10 0 BEAERO CCOc1cc(C[NH2+]CC2CC2)ccc1O ZINC000019884632 170521677 /nfs/dbraw/zinc/52/16/77/170521677.db2.gz WDMGXXVRWDCJQV-UHFFFAOYSA-N 1 0 221.300 2.291 10 0 BEAERO C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000071400440 411677712 /nfs/dbraw/zinc/67/77/12/411677712.db2.gz XEQVTJYALJOVNR-BXUZGUMPSA-N 1 0 246.354 2.381 10 0 BEAERO CCOc1ccc(NC(=O)[C@@H](C)CC[NH3+])cc1 ZINC000076619025 170551123 /nfs/dbraw/zinc/55/11/23/170551123.db2.gz PPCMNDMTSLPEKY-JTQLQIEISA-N 1 0 236.315 2.009 10 0 BEAERO CCOc1ccc([C@H](C)OCC[NH3+])cc1 ZINC000071511762 170563108 /nfs/dbraw/zinc/56/31/08/170563108.db2.gz CGOAVZZEONSOHY-JTQLQIEISA-N 1 0 209.289 2.122 10 0 BEAERO CCOc1cccc2c1NCCC[C@@H]2[NH3+] ZINC000095751306 170587098 /nfs/dbraw/zinc/58/70/98/170587098.db2.gz OAZHRFPRENNDKK-JTQLQIEISA-N 1 0 206.289 2.291 10 0 BEAERO CCOc1ncc(C[NH2+]CC(C)C)s1 ZINC000045205450 170603531 /nfs/dbraw/zinc/60/35/31/170603531.db2.gz CLMRPPDVXXBBCO-UHFFFAOYSA-N 1 0 214.334 2.287 10 0 BEAERO CCSCC[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000336754460 170636974 /nfs/dbraw/zinc/63/69/74/170636974.db2.gz HJTPYBVSOAEOBD-VXGBXAGGSA-N 1 0 231.405 2.390 10 0 BEAERO CCSc1ccc(COCC[NH3+])cc1 ZINC000077304732 170654602 /nfs/dbraw/zinc/65/46/02/170654602.db2.gz ODCWQWCZVOBFFA-UHFFFAOYSA-N 1 0 211.330 2.274 10 0 BEAERO CC[C@@H](C(N)=O)[NH+]1CCC(C(C)(C)C)CC1 ZINC000061679483 170674464 /nfs/dbraw/zinc/67/44/64/170674464.db2.gz SLXRYJRVRJWKIY-NSHDSACASA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1C[NH+](C[C@H]2Cc3ccccc32)C[C@@H](C)C1=O ZINC000661537762 411797648 /nfs/dbraw/zinc/79/76/48/411797648.db2.gz DBDUAJAZLQZBJQ-YRGRVCCFSA-N 1 0 243.350 2.483 10 0 BEAERO C[C@@H]1C[NH+](C[C@@H]2Cc3ccccc32)C[C@@H](C)C1=O ZINC000661537761 411798358 /nfs/dbraw/zinc/79/83/58/411798358.db2.gz DBDUAJAZLQZBJQ-BZPMIXESSA-N 1 0 243.350 2.483 10 0 BEAERO CC[C@@H](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000304325789 170686400 /nfs/dbraw/zinc/68/64/00/170686400.db2.gz SWPJJVLPAXZZEU-GHMZBOCLSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)c1nccnc1NCC[C@H](C)[NH+](C)C ZINC000664246716 411897154 /nfs/dbraw/zinc/89/71/54/411897154.db2.gz XMVHRXWHTMRTSU-NSHDSACASA-N 1 0 236.363 2.352 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000042867983 170795181 /nfs/dbraw/zinc/79/51/81/170795181.db2.gz WIAJHUUKKRBRNA-XQHKEYJVSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@@H](CCO)C[NH2+]Cc1cccn1CC ZINC000087362747 170817824 /nfs/dbraw/zinc/81/78/24/170817824.db2.gz SJLWHJGYONHKJN-LBPRGKRZSA-N 1 0 224.348 2.006 10 0 BEAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(F)cc1 ZINC000076611631 170822349 /nfs/dbraw/zinc/82/23/49/170822349.db2.gz XRNPQQWXWLDTGM-SECBINFHSA-N 1 0 224.279 2.139 10 0 BEAERO CC[C@@H](C[NH2+]C)n1cnc2ccccc21 ZINC000052576525 170827633 /nfs/dbraw/zinc/82/76/33/170827633.db2.gz JWSUGPFTMPSUJO-JTQLQIEISA-N 1 0 203.289 2.207 10 0 BEAERO CC[C@@H](C[NH2+]C1CC1)N(C)Cc1ccccn1 ZINC000052478757 170828250 /nfs/dbraw/zinc/82/82/50/170828250.db2.gz SQZXJWQSDKWEMO-AWEZNQCLSA-N 1 0 233.359 2.044 10 0 BEAERO CC[C@@H]([NH3+])Cc1noc(C2CCCCC2)n1 ZINC000054184708 170866526 /nfs/dbraw/zinc/86/65/26/170866526.db2.gz IPDIHLMTCPNRDW-SNVBAGLBSA-N 1 0 223.320 2.397 10 0 BEAERO CC[C@@H]([NH3+])[C@H](OCCOC)c1ccc(C)cc1 ZINC000042916448 170869133 /nfs/dbraw/zinc/86/91/33/170869133.db2.gz WBUDGOUEQCIGHH-ZIAGYGMSSA-N 1 0 237.343 2.436 10 0 BEAERO CC[C@@H]([NH2+]C)c1nc2c(cccc2F)[nH]1 ZINC000044624019 170888733 /nfs/dbraw/zinc/88/87/33/170888733.db2.gz ZOOYTIQIYQZKSW-MRVPVSSYSA-N 1 0 207.252 2.373 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000126456937 170985253 /nfs/dbraw/zinc/98/52/53/170985253.db2.gz MTDTVKGJZQSUMK-CHWSQXEVSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000348167695 171001531 /nfs/dbraw/zinc/00/15/31/171001531.db2.gz QHAHYYMUMDGJJJ-JHJVBQTASA-N 1 0 243.391 2.331 10 0 BEAERO CC[C@@H]1CCN(Cc2ccncc2)C[C@H](C)C[NH2+]1 ZINC000049666608 171011085 /nfs/dbraw/zinc/01/10/85/171011085.db2.gz WGZXFWXRBYUZDM-UKRRQHHQSA-N 1 0 247.386 2.292 10 0 BEAERO CC[C@@H]1CCN(Cc2ccncc2)CCC[NH2+]1 ZINC000049666598 171011245 /nfs/dbraw/zinc/01/12/45/171011245.db2.gz ZIWKMURAUVMPOC-CQSZACIVSA-N 1 0 233.359 2.046 10 0 BEAERO CC[C@@H]1CCN(c2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049662978 171014248 /nfs/dbraw/zinc/01/42/48/171014248.db2.gz XVGYSTMSHAUZOC-QWHCGFSZSA-N 1 0 233.359 2.439 10 0 BEAERO CC[C@@H]1CCN([C@@H](C)c2ccccn2)CC[NH2+]1 ZINC000049662168 171014799 /nfs/dbraw/zinc/01/47/99/171014799.db2.gz LCYMWEPXGXHKHH-QWHCGFSZSA-N 1 0 233.359 2.217 10 0 BEAERO CC[C@@H]1CN(C2(C[NH3+])CCC(C)CC2)CCO1 ZINC000036769534 171074035 /nfs/dbraw/zinc/07/40/35/171074035.db2.gz WZQWCHNFJZQIJM-ROKHWSDSSA-N 1 0 240.391 2.005 10 0 BEAERO CC[C@@H]1CN(CCc2ccccc2)[C@H](C)C[NH2+]1 ZINC000083359123 171084788 /nfs/dbraw/zinc/08/47/88/171084788.db2.gz GTEQLERKHQFLPS-UKRRQHHQSA-N 1 0 232.371 2.301 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CCO1 ZINC000226148816 171086204 /nfs/dbraw/zinc/08/62/04/171086204.db2.gz FUFIOKMXZPWJQG-HUUCEWRRSA-N 1 0 249.354 2.005 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(C)c(C)c2)CC[NH2+]1 ZINC000083359045 171088191 /nfs/dbraw/zinc/08/81/91/171088191.db2.gz NTPLCMJFPOBRAP-OAHLLOKOSA-N 1 0 232.371 2.487 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1[C@H](C)c1ccc(OC)cc1 ZINC000083379339 171101423 /nfs/dbraw/zinc/10/14/23/171101423.db2.gz PKPULSWVHBKIOE-TZMCWYRMSA-N 1 0 248.370 2.440 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(F)c1 ZINC000083363984 171101591 /nfs/dbraw/zinc/10/15/91/171101591.db2.gz RKNMUVNVUQJTOW-SMDDNHRTSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccco1 ZINC000083364144 171101919 /nfs/dbraw/zinc/10/19/19/171101919.db2.gz POYHKYHCTDQYFL-TZMCWYRMSA-N 1 0 236.359 2.488 10 0 BEAERO CC[C@@H]1CO[C@@](C)(c2ccccc2)C[NH2+]1 ZINC000052099047 171110202 /nfs/dbraw/zinc/11/02/02/171110202.db2.gz DJFYDRBPKADWRW-CHWSQXEVSA-N 1 0 205.301 2.300 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccccc2F)C[NH2+]1 ZINC000036672738 171110431 /nfs/dbraw/zinc/11/04/31/171110431.db2.gz GMCWPAIWXMTKIU-BXKDBHETSA-N 1 0 209.264 2.265 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccc(OC)c(F)c2)C[NH2+]1 ZINC000036672954 171111213 /nfs/dbraw/zinc/11/12/13/171111213.db2.gz FYBOWSXTZFWKQQ-ZWNOBZJWSA-N 1 0 239.290 2.274 10 0 BEAERO CC[C@@H]1CO[C@H](c2nc3ccccc3n2C)C[NH2+]1 ZINC000036672784 171114861 /nfs/dbraw/zinc/11/48/61/171114861.db2.gz HIRCSYMWWBMASB-MFKMUULPSA-N 1 0 245.326 2.013 10 0 BEAERO CC[C@@H]1Cc2c(cc(OC)cc2OC)C[NH2+]1 ZINC000052095303 171144168 /nfs/dbraw/zinc/14/41/68/171144168.db2.gz MOIDGBKOZJPVRP-SNVBAGLBSA-N 1 0 221.300 2.128 10 0 BEAERO CC[C@@H]1c2cccn2CCN1Cc1cnn(C)c1 ZINC000072367978 171162436 /nfs/dbraw/zinc/16/24/36/171162436.db2.gz RRKIUCJYMCALNS-CYBMUJFWSA-N 1 0 244.342 2.189 10 0 BEAERO CC[C@@](C)([NH3+])Cc1ncc(C)c(OC)c1C ZINC000053758157 171170969 /nfs/dbraw/zinc/17/09/69/171170969.db2.gz WAKAIWOMVTYWFG-CYBMUJFWSA-N 1 0 222.332 2.377 10 0 BEAERO CC[C@@](C)([NH3+])c1ccc(OC)cc1OC ZINC000055232628 171170984 /nfs/dbraw/zinc/17/09/84/171170984.db2.gz YZTYBSZHINDKOE-GFCCVEGCSA-N 1 0 209.289 2.288 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000119409021 171178246 /nfs/dbraw/zinc/17/82/46/171178246.db2.gz VKWOEHVRTCZLBP-CQSZACIVSA-N 1 0 237.343 2.288 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1cccs1 ZINC000229383462 171178590 /nfs/dbraw/zinc/17/85/90/171178590.db2.gz AJZHYOFWHPSZAP-LLVKDONJSA-N 1 0 213.346 2.341 10 0 BEAERO CC[C@@]([NH2+]C1CCCC1)(C(N)=O)c1ccccc1 ZINC000037969526 171194444 /nfs/dbraw/zinc/19/44/44/171194444.db2.gz NPHZVYVNTIGOCO-HNNXBMFYSA-N 1 0 246.354 2.309 10 0 BEAERO CC[C@@]1(C(=O)Nc2ncccc2C)CCC[NH2+]C1 ZINC000062852969 171198092 /nfs/dbraw/zinc/19/80/92/171198092.db2.gz VAXLKBHVCLBHQC-CQSZACIVSA-N 1 0 247.342 2.108 10 0 BEAERO CC[C@@]1(CN(C)Cc2ccco2)CCC[NH2+]C1 ZINC000062861998 171211196 /nfs/dbraw/zinc/21/11/96/171211196.db2.gz WYTNPEJKHGQMOM-CQSZACIVSA-N 1 0 236.359 2.491 10 0 BEAERO CC[C@@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000076647119 171213182 /nfs/dbraw/zinc/21/31/82/171213182.db2.gz JUFJQSNPRJDCGT-CQSZACIVSA-N 1 0 218.344 2.390 10 0 BEAERO CC[C@H](C(=O)N(C)C[C@@H](C)C[NH3+])c1ccccc1 ZINC000042455054 171220144 /nfs/dbraw/zinc/22/01/44/171220144.db2.gz PQABOVSKNJMIBR-JSGCOSHPSA-N 1 0 248.370 2.233 10 0 BEAERO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493880 171244726 /nfs/dbraw/zinc/24/47/26/171244726.db2.gz JFEFKCANIFWZHZ-OCCSQVGLSA-N 1 0 236.359 2.073 10 0 BEAERO CC[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097044662 171252565 /nfs/dbraw/zinc/25/25/65/171252565.db2.gz AYMTYFLCEWPTPS-JSGCOSHPSA-N 1 0 248.370 2.452 10 0 BEAERO CC[C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068223719 171253748 /nfs/dbraw/zinc/25/37/48/171253748.db2.gz HIKUFAZWUUTGFU-NWDGAFQWSA-N 1 0 228.380 2.125 10 0 BEAERO CC[C@H](C)CN(C)C(=O)c1cccc(CC[NH3+])c1 ZINC000053662022 171271323 /nfs/dbraw/zinc/27/13/23/171271323.db2.gz HJTHOVPRIGDYKV-LBPRGKRZSA-N 1 0 248.370 2.306 10 0 BEAERO CC[C@H](C)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120395753 171279669 /nfs/dbraw/zinc/27/96/69/171279669.db2.gz KLTJRFCQCCQGBH-LBPRGKRZSA-N 1 0 248.374 2.399 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000120454096 171281015 /nfs/dbraw/zinc/28/10/15/171281015.db2.gz UNAROKAXRGNYBB-UONOGXRCSA-N 1 0 242.407 2.075 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000309696616 171285574 /nfs/dbraw/zinc/28/55/74/171285574.db2.gz LEDIEYPRUPFETC-NWDGAFQWSA-N 1 0 221.348 2.396 10 0 BEAERO CC[C@H](C)[N@H+](C)CCNCc1cccn1CC ZINC000217919260 171306599 /nfs/dbraw/zinc/30/65/99/171306599.db2.gz GFFRIVOAWMYDSU-ZDUSSCGKSA-N 1 0 237.391 2.328 10 0 BEAERO CC[C@H](C)[N@H+](C)CCc1nc2cc(N)ccc2[nH]1 ZINC000035659169 171307855 /nfs/dbraw/zinc/30/78/55/171307855.db2.gz CDRJIZRJEWLWGU-JTQLQIEISA-N 1 0 246.358 2.418 10 0 BEAERO CC[C@H](C)[N@H+](C)Cc1ccc(O)c(N)c1 ZINC000037273399 171308710 /nfs/dbraw/zinc/30/87/10/171308710.db2.gz JKDYZUFULSPCHY-VIFPVBQESA-N 1 0 208.305 2.205 10 0 BEAERO CC[C@H](C)N(CC[NH3+])Cc1ccc(F)cc1 ZINC000032014860 171314291 /nfs/dbraw/zinc/31/42/91/171314291.db2.gz VOGFWHKKRUKZBW-NSHDSACASA-N 1 0 224.323 2.385 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000108160618 171317504 /nfs/dbraw/zinc/31/75/04/171317504.db2.gz HUFUYZHEZNBJSM-RYUDHWBXSA-N 1 0 226.364 2.022 10 0 BEAERO CC[C@H](C)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000181128338 171317539 /nfs/dbraw/zinc/31/75/39/171317539.db2.gz KMWMFYZDUPVGAS-ZDUSSCGKSA-N 1 0 248.374 2.096 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106423751 171335669 /nfs/dbraw/zinc/33/56/69/171335669.db2.gz BCUFSALWAZWLHP-JSGCOSHPSA-N 1 0 248.370 2.074 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000020036625 171339148 /nfs/dbraw/zinc/33/91/48/171339148.db2.gz GCTAODGDLQQXGK-NSHDSACASA-N 1 0 220.316 2.322 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)Cc1ccccc1 ZINC000062189063 171339180 /nfs/dbraw/zinc/33/91/80/171339180.db2.gz HGBMEJCYKHWQKH-STQMWFEESA-N 1 0 248.370 2.122 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H](O)c1cc(C)ccc1OC ZINC000037873125 171341043 /nfs/dbraw/zinc/34/10/43/171341043.db2.gz DCFZHLKAIHKPMM-WCQYABFASA-N 1 0 237.343 2.425 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)CC)[C@H](O)C(F)(F)F ZINC000336665349 171348005 /nfs/dbraw/zinc/34/80/05/171348005.db2.gz VAMNZKUAPODLFM-RNJXMRFFSA-N 1 0 213.243 2.076 10 0 BEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1cc(C)ccc1C ZINC000049670760 171348047 /nfs/dbraw/zinc/34/80/47/171348047.db2.gz MANBTZYKHVEIAL-AAEUAGOBSA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000037166984 171348108 /nfs/dbraw/zinc/34/81/08/171348108.db2.gz SKBSNWBPKVXLIG-NWDGAFQWSA-N 1 0 200.370 2.351 10 0 BEAERO CC[C@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000041674912 171348547 /nfs/dbraw/zinc/34/85/47/171348547.db2.gz RRYRLLPKWKGUBC-VHSXEESVSA-N 1 0 213.346 2.478 10 0 BEAERO CC[C@H](C)OC(=O)C1([NH3+])CCC(C)CC1 ZINC000048265555 171351028 /nfs/dbraw/zinc/35/10/28/171351028.db2.gz OBXPZSHRVKTJPM-YZRBJQDESA-N 1 0 213.321 2.236 10 0 BEAERO CC[C@H](C)OC(=O)C1([NH3+])CCCCCC1 ZINC000048265563 171351644 /nfs/dbraw/zinc/35/16/44/171351644.db2.gz KYHBDQPTQTUYQT-JTQLQIEISA-N 1 0 213.321 2.380 10 0 BEAERO CC[C@H](C)OC[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000048264256 171355427 /nfs/dbraw/zinc/35/54/27/171355427.db2.gz LISBLIMBYBQLRX-GXSJLCMTSA-N 1 0 237.299 2.230 10 0 BEAERO CC[C@H](C)OC[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000048264252 171355567 /nfs/dbraw/zinc/35/55/67/171355567.db2.gz LISBLIMBYBQLRX-ONGXEEELSA-N 1 0 237.299 2.230 10 0 BEAERO CC[C@H](C)Sc1ncccc1C(N)=[NH2+] ZINC000019870335 171356739 /nfs/dbraw/zinc/35/67/39/171356739.db2.gz MBNLVDHSUYSVLA-ZETCQYMHSA-N 1 0 209.318 2.256 10 0 BEAERO CC[C@H](C)Sc1cc(C(N)=[NH2+])ccn1 ZINC000019870339 171357289 /nfs/dbraw/zinc/35/72/89/171357289.db2.gz XHNSQSRSJLRIEQ-ZETCQYMHSA-N 1 0 209.318 2.256 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C)n1 ZINC000129470025 171372336 /nfs/dbraw/zinc/37/23/36/171372336.db2.gz CSHZFHRZPSMFRY-JOYOIKCWSA-N 1 0 235.331 2.010 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000034940639 171372424 /nfs/dbraw/zinc/37/24/24/171372424.db2.gz YOQJVYLATNERIU-LKFCYVNXSA-N 1 0 232.327 2.251 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cccnc2[nH]1 ZINC000044264095 171372673 /nfs/dbraw/zinc/37/26/73/171372673.db2.gz SSACQHHHIHPHOY-IONNQARKSA-N 1 0 204.277 2.004 10 0 BEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)[C@@H](C)CC ZINC000216433794 171388918 /nfs/dbraw/zinc/38/89/18/171388918.db2.gz USORLKBOGYPYJY-TUAOUCFPSA-N 1 0 228.380 2.315 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)COC1CCCC1 ZINC000042554973 171389347 /nfs/dbraw/zinc/38/93/47/171389347.db2.gz NRBLTQYLSOBOQG-AVGNSLFASA-N 1 0 243.391 2.331 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCCC1=CCCCC1 ZINC000011959261 171394525 /nfs/dbraw/zinc/39/45/25/171394525.db2.gz LQTCYPOKHFHEEL-AAEUAGOBSA-N 1 0 238.375 2.367 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])CN1Cc2ccccc2C1 ZINC000050912656 171396705 /nfs/dbraw/zinc/39/67/05/171396705.db2.gz UAVYIKWJJSDFOC-SMDDNHRTSA-N 1 0 218.344 2.376 10 0 BEAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(F)c(C)c1 ZINC000061118108 171430178 /nfs/dbraw/zinc/43/01/78/171430178.db2.gz ZAUSZDDBEDBDAM-SECBINFHSA-N 1 0 224.279 2.058 10 0 BEAERO CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000051628319 171500051 /nfs/dbraw/zinc/50/00/51/171500051.db2.gz FJTDYBYSHRJLME-KBPBESRZSA-N 1 0 246.354 2.396 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCC1(C)C)[C@H](O)C(F)(F)F ZINC000336741398 171547524 /nfs/dbraw/zinc/54/75/24/171547524.db2.gz QZENYUKTXDKGNP-CIUDSAMLSA-N 1 0 239.281 2.466 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC000662627229 412247653 /nfs/dbraw/zinc/24/76/53/412247653.db2.gz CQBREQHWQQDIEC-GVXVVHGQSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@](C)(C[NH3+])Oc1cccc(F)c1F ZINC000062654222 171693101 /nfs/dbraw/zinc/69/31/01/171693101.db2.gz JGJOIMOWODMOCP-LLVKDONJSA-N 1 0 215.243 2.471 10 0 BEAERO CC(C)CC1(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000662925658 412347466 /nfs/dbraw/zinc/34/74/66/412347466.db2.gz JAAHGPHTTBWDKG-GFCCVEGCSA-N 1 0 238.375 2.214 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616652134 412296733 /nfs/dbraw/zinc/29/67/33/412296733.db2.gz DXKFQFCXNNLJLJ-LLVKDONJSA-N 1 0 222.336 2.085 10 0 BEAERO CCCC(CCC)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000132966649 412378619 /nfs/dbraw/zinc/37/86/19/412378619.db2.gz ADUBLDLMWJLIQV-GFCCVEGCSA-N 1 0 226.364 2.056 10 0 BEAERO CCc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000037536475 171784203 /nfs/dbraw/zinc/78/42/03/171784203.db2.gz KOVUDUYKCSPSEN-UHFFFAOYSA-N 1 0 246.354 2.073 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1nc(C2CC2)ns1 ZINC000663275915 412405608 /nfs/dbraw/zinc/40/56/08/412405608.db2.gz GUKZSLXFZYUXDL-SECBINFHSA-N 1 0 240.376 2.201 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1ncccc1F ZINC000663276270 412406617 /nfs/dbraw/zinc/40/66/17/412406617.db2.gz OUIMKBAENMQJLX-SNVBAGLBSA-N 1 0 211.284 2.006 10 0 BEAERO C[NH2+]C[C@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000663280107 412408527 /nfs/dbraw/zinc/40/85/27/412408527.db2.gz XWGBNZZVMXLXMM-ZETCQYMHSA-N 1 0 233.237 2.120 10 0 BEAERO CCc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)cc1 ZINC000125746854 171811741 /nfs/dbraw/zinc/81/17/41/171811741.db2.gz PXBLRNUWVSVHKL-NWDGAFQWSA-N 1 0 221.344 2.356 10 0 BEAERO CCc1ccc([C@@H](CC[NH3+])C(=O)NC(C)C)cc1 ZINC000076634085 171833439 /nfs/dbraw/zinc/83/34/39/171833439.db2.gz BKWWOCHDUZSEFD-CQSZACIVSA-N 1 0 248.370 2.206 10 0 BEAERO CCc1ccc([C@@H]2C[NH2+]CCCO2)s1 ZINC000041062367 171835597 /nfs/dbraw/zinc/83/55/97/171835597.db2.gz MKQROGOFHUHWLH-JTQLQIEISA-N 1 0 211.330 2.362 10 0 BEAERO CCc1ccc([C@@H]2C[NH2+]C[C@H](C)O2)cc1 ZINC000032010485 171836550 /nfs/dbraw/zinc/83/65/50/171836550.db2.gz FPPQJKBVAPVARJ-GWCFXTLKSA-N 1 0 205.301 2.298 10 0 BEAERO CCc1ccc([C@@](C)(O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071537193 171837028 /nfs/dbraw/zinc/83/70/28/171837028.db2.gz FJXBMJZNRUOUSO-HUUCEWRRSA-N 1 0 233.355 2.456 10 0 BEAERO CCc1ccccc1OCC[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000041304265 171891911 /nfs/dbraw/zinc/89/19/11/171891911.db2.gz VSNWWFIMTPFNPF-ZIAGYGMSSA-N 1 0 249.354 2.131 10 0 BEAERO CCc1nc([C@@H]([NH3+])[C@H]2CCOC2)sc1C ZINC000041060241 172004285 /nfs/dbraw/zinc/00/42/85/172004285.db2.gz OJJJUZPGIMPQRP-WPRPVWTQSA-N 1 0 226.345 2.050 10 0 BEAERO CCc1nc2cccc([C@@H]3C[C@H]3C[NH3+])c2o1 ZINC000039101908 172013805 /nfs/dbraw/zinc/01/38/05/172013805.db2.gz DGNSJDGKBFYVPO-WCBMZHEXSA-N 1 0 216.284 2.452 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)CC ZINC000122880199 172014465 /nfs/dbraw/zinc/01/44/65/172014465.db2.gz NNYSYVRAYYCBMC-VHSXEESVSA-N 1 0 222.336 2.064 10 0 BEAERO CCc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCO2)s1 ZINC000037923978 172019646 /nfs/dbraw/zinc/01/96/46/172019646.db2.gz SPOWXRVNTRRUTL-ONGXEEELSA-N 1 0 240.372 2.363 10 0 BEAERO CCc1ncc(C[NH2+][C@H](C)[C@@H]2CCCO2)s1 ZINC000037923979 172020161 /nfs/dbraw/zinc/02/01/61/172020161.db2.gz SPOWXRVNTRRUTL-KOLCDFICSA-N 1 0 240.372 2.363 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042916010 172028933 /nfs/dbraw/zinc/02/89/33/172028933.db2.gz VMQPIZMGYHIRIE-GFCCVEGCSA-N 1 0 233.290 2.133 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1ccc(C)s1 ZINC000043243731 172029198 /nfs/dbraw/zinc/02/91/98/172029198.db2.gz DOUHVXNHXWIIRL-JTQLQIEISA-N 1 0 235.356 2.364 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1cccc(OC)c1 ZINC000043029007 172029333 /nfs/dbraw/zinc/02/93/33/172029333.db2.gz ZSHDDEZHCZTNSL-CYBMUJFWSA-N 1 0 245.326 2.002 10 0 BEAERO CCc1nccn1[C@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000043295091 172029948 /nfs/dbraw/zinc/02/99/48/172029948.db2.gz SDODAGVXDPROHW-MWLCHTKSSA-N 1 0 209.337 2.380 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000225810231 487623959 /nfs/dbraw/zinc/62/39/59/487623959.db2.gz YMBLLNQAQCQWJK-JHJVBQTASA-N 1 0 240.391 2.302 10 0 BEAERO CCc1nn(Cc2ccccc2)c2c1C[NH2+]CC2 ZINC000082809471 172045446 /nfs/dbraw/zinc/04/54/46/172045446.db2.gz RYQWNUKGICNPQR-UHFFFAOYSA-N 1 0 241.338 2.140 10 0 BEAERO CCc1nnc([C@@H](C)[NH2+]C2(C(C)C)CC2)o1 ZINC000339519095 172063395 /nfs/dbraw/zinc/06/33/95/172063395.db2.gz PHMRNZMRFMPAIK-SECBINFHSA-N 1 0 223.320 2.471 10 0 BEAERO CCc1noc(Cl)c1C1CC[NH2+]CC1 ZINC000083298896 172086150 /nfs/dbraw/zinc/08/61/50/172086150.db2.gz VIXWEEPJCCHQBP-UHFFFAOYSA-N 1 0 214.696 2.357 10 0 BEAERO CCc1sc(C)nc1[C@H]1CCC[NH2+]C1 ZINC000082374017 172130005 /nfs/dbraw/zinc/13/00/05/172130005.db2.gz PGGYRADPLYYSOM-VIFPVBQESA-N 1 0 210.346 2.481 10 0 BEAERO CCn1c(C)c(CC[NH3+])c2ccccc21 ZINC000003711479 172134254 /nfs/dbraw/zinc/13/42/54/172134254.db2.gz WEFYMXXPAPDODZ-UHFFFAOYSA-N 1 0 202.301 2.471 10 0 BEAERO CCn1c(C)nnc1[C@@H]([NH3+])C1CCCCC1 ZINC000042029836 172141972 /nfs/dbraw/zinc/14/19/72/172141972.db2.gz NRQCUTZHGYCZFU-NSHDSACASA-N 1 0 222.336 2.187 10 0 BEAERO CCn1c2ccc(C)cc2nc1C[C@H](C)[NH3+] ZINC000037438061 172144272 /nfs/dbraw/zinc/14/42/72/172144272.db2.gz CWALMLPCELNYPV-JTQLQIEISA-N 1 0 217.316 2.254 10 0 BEAERO CCn1c(C[NH3+])nnc1SCC1CCCC1 ZINC000082425434 172145419 /nfs/dbraw/zinc/14/54/19/172145419.db2.gz QTNCQLRECNKZRQ-UHFFFAOYSA-N 1 0 240.376 2.039 10 0 BEAERO CCn1cc(-c2ccc(F)c(C[NH3+])c2)cn1 ZINC000043462523 172148365 /nfs/dbraw/zinc/14/83/65/172148365.db2.gz NMWMLHSMRCBSBU-UHFFFAOYSA-N 1 0 219.263 2.168 10 0 BEAERO CCn1cc(CC2([NH3+])CCC(C)CC2)cn1 ZINC000050541579 172159080 /nfs/dbraw/zinc/15/90/80/172159080.db2.gz CUHKOCLVVTVVNW-UHFFFAOYSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[NH3+])c(-c2ccccc2)n1 ZINC000082639002 172163720 /nfs/dbraw/zinc/16/37/20/172163720.db2.gz CRFUWJYTZFPDBA-UHFFFAOYSA-N 1 0 201.273 2.029 10 0 BEAERO CCn1cc(C[NH2+]C2(CC)CCC2)cn1 ZINC000129071771 172169756 /nfs/dbraw/zinc/16/97/56/172169756.db2.gz HUBZSTCRADKESU-UHFFFAOYSA-N 1 0 207.321 2.325 10 0 BEAERO CCn1cc(C[NH2+]CCC2=CCCC2)cn1 ZINC000120154037 172170528 /nfs/dbraw/zinc/17/05/28/172170528.db2.gz XOTWTAGQLBIZCZ-UHFFFAOYSA-N 1 0 219.332 2.493 10 0 BEAERO CCn1cc(C[C@H]([NH3+])c2ccccc2)cn1 ZINC000050542479 172176728 /nfs/dbraw/zinc/17/67/28/172176728.db2.gz CXCRFYLFGWZRPW-ZDUSSCGKSA-N 1 0 215.300 2.146 10 0 BEAERO CCn1cc(C[C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000050540855 172176971 /nfs/dbraw/zinc/17/69/71/172176971.db2.gz GJRRSZAUBSKVRA-CHWSQXEVSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@]2(C[NH2+]C)C[C@H]3CC[C@@H]2C3)cn1 ZINC000054638865 172177198 /nfs/dbraw/zinc/17/71/98/172177198.db2.gz RURVXSKWGMEMDC-CFVMTHIKSA-N 1 0 247.386 2.471 10 0 BEAERO CCn1cc(C[C@H]2CCCC[C@H]2[NH2+]C)cn1 ZINC000050540751 172177309 /nfs/dbraw/zinc/17/73/09/172177309.db2.gz BEFRZMWITCQICP-CHWSQXEVSA-N 1 0 221.348 2.224 10 0 BEAERO CCn1cc(N[C@H](C)[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000035779807 172187855 /nfs/dbraw/zinc/18/78/55/172187855.db2.gz BUCOPUWUESZOBB-VXGBXAGGSA-N 1 0 236.363 2.045 10 0 BEAERO CCn1cc([C@@]2([NH3+])CCCC[C@H]2C)cn1 ZINC000043467734 172196018 /nfs/dbraw/zinc/19/60/18/172196018.db2.gz MYOGIJIUJCDCKP-ZYHUDNBSSA-N 1 0 207.321 2.267 10 0 BEAERO CCn1cc([C@]2([NH3+])CCC[C@H](C)C2)cn1 ZINC000043467630 172198672 /nfs/dbraw/zinc/19/86/72/172198672.db2.gz ZAZXCKVCILFMID-JQWIXIFHSA-N 1 0 207.321 2.267 10 0 BEAERO CCn1cccc1C[NH2+]C(C)(C)COC ZINC000125340561 172206958 /nfs/dbraw/zinc/20/69/58/172206958.db2.gz QTZGJIMRIQTRHL-UHFFFAOYSA-N 1 0 210.321 2.023 10 0 BEAERO CCn1cccc1C[NH2+]Cc1c(C)noc1C ZINC000092328922 172208012 /nfs/dbraw/zinc/20/80/12/172208012.db2.gz PBSCLAMOENWYFP-UHFFFAOYSA-N 1 0 233.315 2.403 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000336722877 172209040 /nfs/dbraw/zinc/20/90/40/172209040.db2.gz YJGOXWZACHQQRV-STQMWFEESA-N 1 0 236.359 2.149 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000234194165 172209681 /nfs/dbraw/zinc/20/96/81/172209681.db2.gz OANXCXCYHHZDRG-NEPJUHHUSA-N 1 0 222.332 2.165 10 0 BEAERO CCn1cc[nH+]c1N[C@@H](C)c1ccncc1 ZINC000050608455 172227327 /nfs/dbraw/zinc/22/73/27/172227327.db2.gz IPPQNTJAMXPKJU-JTQLQIEISA-N 1 0 216.288 2.471 10 0 BEAERO CCn1cc[nH+]c1N[C@H](C)c1ccccn1 ZINC000050608460 172227410 /nfs/dbraw/zinc/22/74/10/172227410.db2.gz UGLUNXKYAJNRQL-SNVBAGLBSA-N 1 0 216.288 2.471 10 0 BEAERO CCn1ccnc1Oc1ccc(C[NH3+])cc1OC ZINC000050614537 172228052 /nfs/dbraw/zinc/22/80/52/172228052.db2.gz NLBYIQZGJMRZOT-UHFFFAOYSA-N 1 0 247.298 2.163 10 0 BEAERO CCn1ccnc1[C@@H]([NH3+])c1cccc(N(C)C)c1 ZINC000011735825 172229145 /nfs/dbraw/zinc/22/91/45/172229145.db2.gz YGRRKGBVIGVFAL-ZDUSSCGKSA-N 1 0 244.342 2.017 10 0 BEAERO CCn1ccnc1[C@H]([NH3+])c1ccccc1C ZINC000011735288 172230185 /nfs/dbraw/zinc/23/01/85/172230185.db2.gz ISGUMRYZGHFDOP-GFCCVEGCSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCOC)c1C ZINC000045168516 172248659 /nfs/dbraw/zinc/24/86/59/172248659.db2.gz ZKYMJILJXKZJRP-SNVBAGLBSA-N 1 0 239.363 2.207 10 0 BEAERO CN(C(=O)CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746667 172300323 /nfs/dbraw/zinc/30/03/23/172300323.db2.gz UIWDMGUCOFJLTH-FOSCPWQOSA-N 1 0 238.375 2.164 10 0 BEAERO CN(C(=O)C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000020597481 172313373 /nfs/dbraw/zinc/31/33/73/172313373.db2.gz HVXSMNVKEBNZRS-LBPRGKRZSA-N 1 0 232.327 2.182 10 0 BEAERO C[NH+](C)C(C)(C)CNc1nncc2ccccc21 ZINC000054613526 172396318 /nfs/dbraw/zinc/39/63/18/172396318.db2.gz FDGOTWXONUZRGN-UHFFFAOYSA-N 1 0 244.342 2.382 10 0 BEAERO C[NH+](C)CCCCNc1ncnc2ccccc21 ZINC000002548129 172430381 /nfs/dbraw/zinc/43/03/81/172430381.db2.gz OGIVCHARARXRCX-UHFFFAOYSA-N 1 0 244.342 2.384 10 0 BEAERO CN(CC(C)(C)C)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055140800 172620583 /nfs/dbraw/zinc/62/05/83/172620583.db2.gz KHTYAZDXOAANBU-NEPJUHHUSA-N 1 0 240.391 2.399 10 0 BEAERO CN(CC[NH3+])C(=O)Nc1cccc2ccccc21 ZINC000041160263 172731788 /nfs/dbraw/zinc/73/17/88/172731788.db2.gz ATVIMILSUQKTPI-UHFFFAOYSA-N 1 0 243.310 2.262 10 0 BEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)C1CCCC1 ZINC000019843707 172779450 /nfs/dbraw/zinc/77/94/50/172779450.db2.gz UTOSQARNBGKGJK-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO CN(C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000049965132 172809595 /nfs/dbraw/zinc/80/95/95/172809595.db2.gz OACWWFDXQCWHTC-NSHDSACASA-N 1 0 208.280 2.014 10 0 BEAERO CN(Cc1ccccn1)C[C@H]([NH3+])c1ccccc1 ZINC000036777424 172880130 /nfs/dbraw/zinc/88/01/30/172880130.db2.gz OZNWYQFFSBNPOR-HNNXBMFYSA-N 1 0 241.338 2.213 10 0 BEAERO CN(Cc1cscn1)CC1([NH3+])CCCCC1 ZINC000042869525 172921233 /nfs/dbraw/zinc/92/12/33/172921233.db2.gz MENPTEYNOCILIO-UHFFFAOYSA-N 1 0 239.388 2.237 10 0 BEAERO C[NH+]1CCC(Nc2cccnc2Cl)CC1 ZINC000036982621 172999006 /nfs/dbraw/zinc/99/90/06/172999006.db2.gz CNCQHIVFWMUKJQ-UHFFFAOYSA-N 1 0 225.723 2.241 10 0 BEAERO CN1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC000044562812 173004289 /nfs/dbraw/zinc/00/42/89/173004289.db2.gz ZBNZGKJHXGVSOP-CYBMUJFWSA-N 1 0 210.365 2.251 10 0 BEAERO C[N@@H+]1CCCC[C@H]1CNc1ccnc(Cl)n1 ZINC000051850214 173009384 /nfs/dbraw/zinc/00/93/84/173009384.db2.gz NPYJVSUXZWEMBS-VIFPVBQESA-N 1 0 240.738 2.026 10 0 BEAERO CN1CCCC[C@H]1C[NH2+]Cc1cccs1 ZINC000044561985 173010607 /nfs/dbraw/zinc/01/06/07/173010607.db2.gz NULVRGDAXXGRNB-NSHDSACASA-N 1 0 224.373 2.322 10 0 BEAERO C[N@@H+]1CCC[C@@H]1COc1cccc(F)c1 ZINC000026377237 173034523 /nfs/dbraw/zinc/03/45/23/173034523.db2.gz YMSPBBGEZQILFC-LLVKDONJSA-N 1 0 209.264 2.299 10 0 BEAERO CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336722947 173034895 /nfs/dbraw/zinc/03/48/95/173034895.db2.gz ALQNFPTUEQUAKQ-XQQFMLRXSA-N 1 0 228.355 2.199 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2cccc(N)c2)C1 ZINC000044535795 173041813 /nfs/dbraw/zinc/04/18/13/173041813.db2.gz IVBRMILKGSZLKZ-LLVKDONJSA-N 1 0 219.332 2.023 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2cccc3c[nH]nc32)C1 ZINC000054242104 173042169 /nfs/dbraw/zinc/04/21/69/173042169.db2.gz OVGBNPLKMGVLLD-LLVKDONJSA-N 1 0 244.342 2.317 10 0 BEAERO C[N@@H+]1CCC[C@H]1[Si](C)(C)c1ccccc1 ZINC000196105860 173060140 /nfs/dbraw/zinc/06/01/40/173060140.db2.gz ILNKICNJQHSMAX-CYBMUJFWSA-N 1 0 219.404 2.235 10 0 BEAERO CN1CCC[C@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000143130703 173061677 /nfs/dbraw/zinc/06/16/77/173061677.db2.gz QVWXOBCBRGTWEA-GFCCVEGCSA-N 1 0 224.735 2.220 10 0 BEAERO C[N@@H+]1CC[C@@H]2C[C@@H](Cc3ccc(O)cc32)C1 ZINC000039109938 173132558 /nfs/dbraw/zinc/13/25/58/173132558.db2.gz HPNLYVACULLUHJ-ZYHUDNBSSA-N 1 0 217.312 2.374 10 0 BEAERO C[N@@H+]1CC[C@@](O)(c2ccc(C(F)(F)F)cc2)C1 ZINC000061987386 173138825 /nfs/dbraw/zinc/13/88/25/173138825.db2.gz ILXXCJKLHOZPDA-NSHDSACASA-N 1 0 245.244 2.229 10 0 BEAERO C[N@@H+]1CC[C@H](CNc2c(N)cccc2Cl)C1 ZINC000037484587 173147612 /nfs/dbraw/zinc/14/76/12/173147612.db2.gz ADDPNWODEQKBHE-SECBINFHSA-N 1 0 239.750 2.286 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccccc2Cl)C1 ZINC000061984649 173156860 /nfs/dbraw/zinc/15/68/60/173156860.db2.gz VLDHZHFNIXNWDC-VIFPVBQESA-N 1 0 210.708 2.456 10 0 BEAERO CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037254059 173278791 /nfs/dbraw/zinc/27/87/91/173278791.db2.gz NNPAQTJWSOWQHV-KGLIPLIRSA-N 1 0 246.354 2.048 10 0 BEAERO CNC(=O)[C@H](C)Nc1cc(C)[nH+]c2ccccc12 ZINC000042571584 173303974 /nfs/dbraw/zinc/30/39/74/173303974.db2.gz XFLQMUKMAPLVSA-JTQLQIEISA-N 1 0 243.310 2.090 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccccc1)C(C)C ZINC000061300151 173317888 /nfs/dbraw/zinc/31/78/88/173317888.db2.gz FLQFOEUOWXZGQS-UHFFFAOYSA-N 1 0 248.370 2.422 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000061300565 173317907 /nfs/dbraw/zinc/31/79/07/173317907.db2.gz BIRQCFHFXKBNEX-NEPJUHHUSA-N 1 0 238.375 2.166 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1cccc(F)c1 ZINC000061318399 173318434 /nfs/dbraw/zinc/31/84/34/173318434.db2.gz HVVSZCCKDVMULX-SECBINFHSA-N 1 0 238.306 2.001 10 0 BEAERO C[NH2+]C(C)(C)CN1c2ccccc2C[C@H]1C ZINC000061319470 173318957 /nfs/dbraw/zinc/31/89/57/173318957.db2.gz GWMAVLHGVPHKJT-LLVKDONJSA-N 1 0 218.344 2.436 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc2cccnc21 ZINC000061300070 173319095 /nfs/dbraw/zinc/31/90/95/173319095.db2.gz ACGXNLBPDPTVPJ-UHFFFAOYSA-N 1 0 243.310 2.171 10 0 BEAERO C[NH2+]C(C)(C)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000061319704 173319121 /nfs/dbraw/zinc/31/91/21/173319121.db2.gz IEAJRZSCLULCBV-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C(C)(C)CN(C)[C@H]1CCCC[C@H]1C ZINC000061319749 173319128 /nfs/dbraw/zinc/31/91/28/173319128.db2.gz KXWAYMHUBREZGN-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C(C)(C)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000061319702 173319172 /nfs/dbraw/zinc/31/91/72/173319172.db2.gz IEAJRZSCLULCBV-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C(C)(C)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000061319752 173319313 /nfs/dbraw/zinc/31/93/13/173319313.db2.gz KXWAYMHUBREZGN-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C(C)(C)CN1CCc2sccc2C1 ZINC000061319437 173319617 /nfs/dbraw/zinc/31/96/17/173319617.db2.gz AVOMCNSPYQPZOI-UHFFFAOYSA-N 1 0 224.373 2.104 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(F)c1C ZINC000061318973 173319699 /nfs/dbraw/zinc/31/96/99/173319699.db2.gz FWIJVBVOJCFTKM-UHFFFAOYSA-N 1 0 224.279 2.071 10 0 BEAERO C[NH2+]C1(C)CCN(Cc2ccccc2)CC1 ZINC000083021426 173321318 /nfs/dbraw/zinc/32/13/18/173321318.db2.gz NPPVNTVCJHDOCR-UHFFFAOYSA-N 1 0 218.344 2.261 10 0 BEAERO CNC1(c2nc(C(C)C)cs2)CC[NH2+]CC1 ZINC000041060750 173321886 /nfs/dbraw/zinc/32/18/86/173321886.db2.gz JXWDIAGWRSGICV-UHFFFAOYSA-N 1 0 239.388 2.065 10 0 BEAERO C[NH+]=C1Nc2cccc(Cl)c2[C@H](C)N1 ZINC000029130462 173322178 /nfs/dbraw/zinc/32/21/78/173322178.db2.gz OVCRQVHRSLIVTD-LURJTMIESA-N 1 0 209.680 2.211 10 0 BEAERO C[NH2+]C1CCN(C(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC000111644093 173322471 /nfs/dbraw/zinc/32/24/71/173322471.db2.gz NACHWMVELFTGID-LLVKDONJSA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+]C1CCN(C(=O)c2cccc(C)c2C)CC1 ZINC000037536504 173322844 /nfs/dbraw/zinc/32/28/44/173322844.db2.gz BQPXLLIOARRNEU-UHFFFAOYSA-N 1 0 246.354 2.127 10 0 BEAERO C[NH2+]C1CCN([C@H](C)c2cccs2)CC1 ZINC000037483668 173323763 /nfs/dbraw/zinc/32/37/63/173323763.db2.gz SBBFJPAASOMJNV-SNVBAGLBSA-N 1 0 224.373 2.493 10 0 BEAERO C[NH2+]CCC(=O)c1ccc(OC(C)C)cc1 ZINC000071523222 173342090 /nfs/dbraw/zinc/34/20/90/173342090.db2.gz HAVVUKBLLYKPRK-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)CCCC2 ZINC000077417883 173342241 /nfs/dbraw/zinc/34/22/41/173342241.db2.gz AFUWOHGESNRIKF-UHFFFAOYSA-N 1 0 247.338 2.218 10 0 BEAERO C[NH2+]CCCC(=O)N[C@@H](C)c1ccccc1F ZINC000037764241 173344364 /nfs/dbraw/zinc/34/43/64/173344364.db2.gz QLVDVDWZGJPZQA-JTQLQIEISA-N 1 0 238.306 2.003 10 0 BEAERO C[NH2+]CCCC(=O)Nc1nc(C(C)C)cs1 ZINC000049237329 173345290 /nfs/dbraw/zinc/34/52/90/173345290.db2.gz HCLMRLMUELXRBB-UHFFFAOYSA-N 1 0 241.360 2.205 10 0 BEAERO C[NH2+]CCCN(C)c1ccc(Cl)cc1 ZINC000077305300 173347489 /nfs/dbraw/zinc/34/74/89/173347489.db2.gz DYNVDIDPYDBBBP-UHFFFAOYSA-N 1 0 212.724 2.386 10 0 BEAERO C[NH2+]CCCOCc1cc(F)ccc1F ZINC000077306959 173349858 /nfs/dbraw/zinc/34/98/58/173349858.db2.gz MBQMZLKTLINQHT-UHFFFAOYSA-N 1 0 215.243 2.091 10 0 BEAERO C[NH2+]CCCc1cnn(-c2cccc(C)c2)c1 ZINC000054670368 173350438 /nfs/dbraw/zinc/35/04/38/173350438.db2.gz SZQQXGHPDJMJKY-UHFFFAOYSA-N 1 0 229.327 2.333 10 0 BEAERO C[NH2+]CCCc1nnc(-c2cc(C)ccc2F)o1 ZINC000052999484 173351067 /nfs/dbraw/zinc/35/10/67/173351067.db2.gz HQYWELCVBLFLEU-UHFFFAOYSA-N 1 0 249.289 2.336 10 0 BEAERO C[NH2+]CCN(C)CCc1c(C)[nH]c2ccccc21 ZINC000077400206 173352664 /nfs/dbraw/zinc/35/26/64/173352664.db2.gz VVSGRMXTSBSROR-UHFFFAOYSA-N 1 0 245.370 2.170 10 0 BEAERO C[NH2+]CCN(C)Cc1cc(C)n(C(C)C)c1C ZINC000077374424 173353018 /nfs/dbraw/zinc/35/30/18/173353018.db2.gz TWZSIXSSRPSZPZ-UHFFFAOYSA-N 1 0 237.391 2.337 10 0 BEAERO C[NH2+]CCN(C)c1cc(C)c(C)cc1C ZINC000082594086 173353623 /nfs/dbraw/zinc/35/36/23/173353623.db2.gz KKVKEYAIDUTHCZ-UHFFFAOYSA-N 1 0 206.333 2.267 10 0 BEAERO C[NH2+]CCOCCc1ccccc1Cl ZINC000077306140 173356844 /nfs/dbraw/zinc/35/68/44/173356844.db2.gz ISJAUZOKUFSTIP-UHFFFAOYSA-N 1 0 213.708 2.119 10 0 BEAERO C[NH2+]CCOCc1ccc(SC)cc1 ZINC000077304734 173356903 /nfs/dbraw/zinc/35/69/03/173356903.db2.gz KMOYDBAUIHAXRE-UHFFFAOYSA-N 1 0 211.330 2.145 10 0 BEAERO C[NH2+]CC[C@@H](C)n1nc(C)c(Cl)c1C ZINC000052573873 173357590 /nfs/dbraw/zinc/35/75/90/173357590.db2.gz GYFLLUCHONHAMD-SSDOTTSWSA-N 1 0 215.728 2.324 10 0 BEAERO C[NH2+]CCSc1nc2ccccc2o1 ZINC000042408898 173357824 /nfs/dbraw/zinc/35/78/24/173357824.db2.gz XVRZLDCWEVUIBI-UHFFFAOYSA-N 1 0 208.286 2.139 10 0 BEAERO C[NH2+]CCOc1cccc2ccc(C)nc21 ZINC000037429427 173357939 /nfs/dbraw/zinc/35/79/39/173357939.db2.gz ZUSYINZHFVQKBY-UHFFFAOYSA-N 1 0 216.284 2.141 10 0 BEAERO C[NH2+]CC[C@H](O)c1ccc(Br)cc1 ZINC000034456284 173359255 /nfs/dbraw/zinc/35/92/55/173359255.db2.gz VEHZIQGSFCXDJB-JTQLQIEISA-N 1 0 244.132 2.092 10 0 BEAERO C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000053301903 173359466 /nfs/dbraw/zinc/35/94/66/173359466.db2.gz HIRPLIMQCZAVSH-UHFFFAOYSA-N 1 0 232.096 2.350 10 0 BEAERO C[NH2+]CCc1c(C)nc(CCC(C)C)nc1C ZINC000054838133 173359764 /nfs/dbraw/zinc/35/97/64/173359764.db2.gz AHLIGOPHGVKNQS-UHFFFAOYSA-N 1 0 235.375 2.444 10 0 BEAERO C[NH2+]CCc1cc(C)nc2ccccc12 ZINC000083283517 173360025 /nfs/dbraw/zinc/36/00/25/173360025.db2.gz KVUJPPXIUUZIQA-UHFFFAOYSA-N 1 0 200.285 2.305 10 0 BEAERO C[NH2+]CCc1nc(-c2ccc(C)o2)cs1 ZINC000053296462 173361212 /nfs/dbraw/zinc/36/12/12/173361212.db2.gz HOUSSLXIZQJKNC-UHFFFAOYSA-N 1 0 222.313 2.473 10 0 BEAERO C[NH2+]CCc1nc2ccc(F)cc2n1C1CC1 ZINC000052125244 173361335 /nfs/dbraw/zinc/36/13/35/173361335.db2.gz GEWKTQYGNICRSM-UHFFFAOYSA-N 1 0 233.290 2.272 10 0 BEAERO C[NH2+]C[C@@H](C)COc1cccc2cccnc21 ZINC000041256446 173364196 /nfs/dbraw/zinc/36/41/96/173364196.db2.gz CFYXHAIFLCJCTR-LLVKDONJSA-N 1 0 230.311 2.469 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1nc2ccccc2s1 ZINC000051867583 173364813 /nfs/dbraw/zinc/36/48/13/173364813.db2.gz HPRYPHFXJZKPAV-MRVPVSSYSA-N 1 0 222.313 2.283 10 0 BEAERO C[NH2+]C[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962035 173364857 /nfs/dbraw/zinc/36/48/57/173364857.db2.gz SDZZEONNBLZYHU-LLVKDONJSA-N 1 0 215.300 2.331 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1CCOc1ccccc1 ZINC000043458243 173366619 /nfs/dbraw/zinc/36/66/19/173366619.db2.gz FODKTDRLLIEVLP-AWEZNQCLSA-N 1 0 248.370 2.139 10 0 BEAERO C[NH2+]C[C@@H](OC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000050493949 173366879 /nfs/dbraw/zinc/36/68/79/173366879.db2.gz IYQCHEWSDOXYDE-LSDHHAIUSA-N 1 0 249.354 2.451 10 0 BEAERO C[NH2+]C[C@@H](OCC1CC1)c1ccccc1OC ZINC000050485521 173367110 /nfs/dbraw/zinc/36/71/10/173367110.db2.gz UUNHHDKGGULIOW-CQSZACIVSA-N 1 0 235.327 2.382 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cc(C)cc(C)c2)C1 ZINC000011892160 173370735 /nfs/dbraw/zinc/37/07/35/173370735.db2.gz QETQWRXMGHPAIO-ZDUSSCGKSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cccc(F)c2C)C1 ZINC000053033377 173371288 /nfs/dbraw/zinc/37/12/88/173371288.db2.gz JILOSCCBDXYDGY-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccc(Cl)cc1Cl ZINC000055032751 173372134 /nfs/dbraw/zinc/37/21/34/173372134.db2.gz PCNHBCQBLFDHRY-SNVBAGLBSA-N 1 0 234.126 2.420 10 0 BEAERO C[NH2+]C[C@@](C)(O)Cc1ccc(C(C)C)cc1 ZINC000019684527 173372230 /nfs/dbraw/zinc/37/22/30/173372230.db2.gz QNJIYYADVWQMSR-AWEZNQCLSA-N 1 0 221.344 2.323 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1cccc2ccccc21 ZINC000055032703 173373353 /nfs/dbraw/zinc/37/33/53/173373353.db2.gz XVGVUIHIHZPRGM-CQSZACIVSA-N 1 0 215.296 2.267 10 0 BEAERO C[NH2+]C[C@H](O)Cc1cc(Cl)ccc1Cl ZINC000071543392 173376970 /nfs/dbraw/zinc/37/69/70/173376970.db2.gz MUKOPUCHIKQPDJ-SECBINFHSA-N 1 0 234.126 2.116 10 0 BEAERO C[NH2+]C[C@H](C)COc1ccc2c(c1)CCC2 ZINC000041233304 173375446 /nfs/dbraw/zinc/37/54/46/173375446.db2.gz VQRHSGAEFLOXKQ-NSHDSACASA-N 1 0 219.328 2.410 10 0 BEAERO C[NH2+]C[C@H](C)n1c(C)nc2ccccc21 ZINC000053524192 173376234 /nfs/dbraw/zinc/37/62/34/173376234.db2.gz IDHRTTYDOYXJPQ-VIFPVBQESA-N 1 0 203.289 2.125 10 0 BEAERO C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000055027346 173377166 /nfs/dbraw/zinc/37/71/66/173377166.db2.gz LLSWVASLYHARSF-VIFPVBQESA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1c1nc(C)cs1 ZINC000053706608 173377910 /nfs/dbraw/zinc/37/79/10/173377910.db2.gz FETKRMLFUCDARR-SNVBAGLBSA-N 1 0 225.361 2.030 10 0 BEAERO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)C(C)(C)C ZINC000122572706 173379863 /nfs/dbraw/zinc/37/98/63/173379863.db2.gz NQKHFUGBLPEUSK-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+]C[C@H]1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000071142217 173381868 /nfs/dbraw/zinc/38/18/68/173381868.db2.gz YXNSBHVZVDEIQK-OUCADQQQSA-N 1 0 248.370 2.444 10 0 BEAERO C[NH2+]C[C@H]1CC[C@H](CN(C)c2cccc(C)c2)O1 ZINC000052518100 173382900 /nfs/dbraw/zinc/38/29/00/173382900.db2.gz SBKSGBWBQABPIY-HUUCEWRRSA-N 1 0 248.370 2.198 10 0 BEAERO C[NH2+]C[C@H]1CC[C@@H](COc2ccc(C)c(C)c2)O1 ZINC000052666110 173382916 /nfs/dbraw/zinc/38/29/16/173382916.db2.gz FDFSRWXXQCHXOV-CABCVRRESA-N 1 0 249.354 2.449 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccccc1OCC(C)C ZINC000033466231 173383313 /nfs/dbraw/zinc/38/33/13/173383313.db2.gz DYIAYRWAOLGZAH-AWEZNQCLSA-N 1 0 237.343 2.148 10 0 BEAERO C[NH2+]Cc1c(C)cc(C)nc1OC1CCC1 ZINC000051521861 173384270 /nfs/dbraw/zinc/38/42/70/173384270.db2.gz ZOGGBDAUMULXLH-UHFFFAOYSA-N 1 0 220.316 2.349 10 0 BEAERO C[NH2+]Cc1cc(Br)ccc1C ZINC000083256369 173385603 /nfs/dbraw/zinc/38/56/03/173385603.db2.gz WJYVTRPDQXLJOQ-UHFFFAOYSA-N 1 0 214.106 2.477 10 0 BEAERO C[NH2+]Cc1cc(N(C)C2CCCC2)ccn1 ZINC000051439120 173387159 /nfs/dbraw/zinc/38/71/59/173387159.db2.gz FAJXUGUYDCLIQC-UHFFFAOYSA-N 1 0 219.332 2.180 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1N(C)[C@H](C)COC ZINC000042519076 173387566 /nfs/dbraw/zinc/38/75/66/173387566.db2.gz WUFUCWVKCIVFBA-SNVBAGLBSA-N 1 0 240.322 2.016 10 0 BEAERO C[NH2+]Cc1ccc(OC[C@H]2CC=CC[C@H]2C)nn1 ZINC000051543058 173388678 /nfs/dbraw/zinc/38/86/78/173388678.db2.gz QRHZMADNJPTQCK-VXGBXAGGSA-N 1 0 247.342 2.177 10 0 BEAERO C[NH2+]Cc1cccc(OCCOCC(C)C)c1 ZINC000052622532 173389555 /nfs/dbraw/zinc/38/95/55/173389555.db2.gz CPLGEKHENKQYPC-UHFFFAOYSA-N 1 0 237.343 2.457 10 0 BEAERO C[NH2+]Cc1ccccc1N(CCOC)C1CC1 ZINC000042519097 173390126 /nfs/dbraw/zinc/39/01/26/173390126.db2.gz HGNPRQBLCKUYJO-UHFFFAOYSA-N 1 0 234.343 2.021 10 0 BEAERO C[NH2+]Cc1ccccc1N(C)Cc1cccnc1 ZINC000036771530 173390501 /nfs/dbraw/zinc/39/05/01/173390501.db2.gz UHEVJUQNWDPPIR-UHFFFAOYSA-N 1 0 241.338 2.437 10 0 BEAERO C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000034652729 173390578 /nfs/dbraw/zinc/39/05/78/173390578.db2.gz DAJKOJZYSLDLNJ-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]Cc1ccccc1N(C)C[C@H]1CCCOC1 ZINC000104193794 173390817 /nfs/dbraw/zinc/39/08/17/173390817.db2.gz QFUNOJMSEBBRAZ-CYBMUJFWSA-N 1 0 248.370 2.269 10 0 BEAERO C[NH2+]Cc1cccnc1N(CC(C)C)C1CC1 ZINC000051484428 173391048 /nfs/dbraw/zinc/39/10/48/173391048.db2.gz AVLSNOWUKNJQCR-UHFFFAOYSA-N 1 0 233.359 2.426 10 0 BEAERO C[NH2+]Cc1cnc(N2Cc3ccccc3C2)s1 ZINC000054905497 173392271 /nfs/dbraw/zinc/39/22/71/173392271.db2.gz SFCRXBWOHRFWHH-UHFFFAOYSA-N 1 0 245.351 2.383 10 0 BEAERO C[NH2+]Cc1cnc(-c2ccc(F)c(C)c2)nc1 ZINC000054855502 173392374 /nfs/dbraw/zinc/39/23/74/173392374.db2.gz BWBFTQANQKOEMV-UHFFFAOYSA-N 1 0 231.274 2.311 10 0 BEAERO C[NH2+]Cc1cnc(N2CCC[C@H]2C)c(Cl)c1 ZINC000051398880 173392399 /nfs/dbraw/zinc/39/23/99/173392399.db2.gz YBBNWRQDPZQSCZ-SECBINFHSA-N 1 0 239.750 2.443 10 0 BEAERO C[NH2+]Cc1cnc(C2CCC(C)CC2)nc1 ZINC000054855589 173392604 /nfs/dbraw/zinc/39/26/04/173392604.db2.gz FGTCBTAMQMJRER-UHFFFAOYSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccccc2C)o1 ZINC000077297271 173397316 /nfs/dbraw/zinc/39/73/16/173397316.db2.gz ABMHNDAUHPZLHM-UHFFFAOYSA-N 1 0 202.257 2.369 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000077299362 173397478 /nfs/dbraw/zinc/39/74/78/173397478.db2.gz AWMSAONMEJPZTG-UHFFFAOYSA-N 1 0 206.220 2.200 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccc(C)cc2)o1 ZINC000077297273 173397527 /nfs/dbraw/zinc/39/75/27/173397527.db2.gz GHJBVHDXYXSEGQ-UHFFFAOYSA-N 1 0 202.257 2.369 10 0 BEAERO C[NH2+]Cc1nc(-c2c(F)cccc2F)c[nH]1 ZINC000036877229 173397627 /nfs/dbraw/zinc/39/76/27/173397627.db2.gz NGPLYHZNGRKVLW-UHFFFAOYSA-N 1 0 223.226 2.074 10 0 BEAERO C[NH2+][C@@H](C)c1cccc(OC(=O)N(C)C)c1 ZINC000090411518 173419709 /nfs/dbraw/zinc/41/97/09/173419709.db2.gz UDYXXHXGNRGNDS-VIFPVBQESA-N 1 0 222.288 2.027 10 0 BEAERO C[NH2+][C@@H](C)c1ccccc1NC(=O)NC(C)C ZINC000035645723 173419738 /nfs/dbraw/zinc/41/97/38/173419738.db2.gz MIUOZOWISKVASU-JTQLQIEISA-N 1 0 235.331 2.497 10 0 BEAERO C[NH2+][C@@H](C)c1cnc(N(C)C2CC2)s1 ZINC000054902389 173420160 /nfs/dbraw/zinc/42/01/60/173420160.db2.gz LHVLMENFYXMKNY-ZETCQYMHSA-N 1 0 211.334 2.022 10 0 BEAERO C[NH2+][C@@H](CO)c1ccc(C(C)(C)C)cc1 ZINC000038121224 173423712 /nfs/dbraw/zinc/42/37/12/173423712.db2.gz UGHHHSPAKWZOBK-LBPRGKRZSA-N 1 0 207.317 2.237 10 0 BEAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(C)cc1 ZINC000035504235 173426341 /nfs/dbraw/zinc/42/63/41/173426341.db2.gz NGQGXVLCGJOBKD-LBPRGKRZSA-N 1 0 215.300 2.221 10 0 BEAERO C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000035500625 173428764 /nfs/dbraw/zinc/42/87/64/173428764.db2.gz PKFRKMFNDOREHD-LLVKDONJSA-N 1 0 220.272 2.038 10 0 BEAERO C[NH2+][C@@H](c1cccs1)[C@@H]1CCCOC1 ZINC000062231308 173429860 /nfs/dbraw/zinc/42/98/60/173429860.db2.gz PZNGWKAFINJWKL-MWLCHTKSSA-N 1 0 211.330 2.435 10 0 BEAERO C[NH2+][C@@H]1CCCCC[C@H]1n1cc(C)cn1 ZINC000044000065 173432001 /nfs/dbraw/zinc/43/20/01/173432001.db2.gz XBGILAPDALPNBY-VXGBXAGGSA-N 1 0 207.321 2.285 10 0 BEAERO C[NH2+][C@H](Cc1cccs1)C1CCOCC1 ZINC000061672910 173454131 /nfs/dbraw/zinc/45/41/31/173454131.db2.gz CDMMWJYTRQEALD-GFCCVEGCSA-N 1 0 225.357 2.305 10 0 BEAERO C[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000053131028 173454263 /nfs/dbraw/zinc/45/42/63/173454263.db2.gz UYPWFNHHUWCBCT-CYBMUJFWSA-N 1 0 204.317 2.402 10 0 BEAERO C[NH2+][C@H](Cc1cnn(C)c1)C1CCCCC1 ZINC000050542856 173455362 /nfs/dbraw/zinc/45/53/62/173455362.db2.gz AHSZDCSDQPMBIQ-CYBMUJFWSA-N 1 0 221.348 2.131 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@H]1C[C@@H]1C ZINC000035487613 173458059 /nfs/dbraw/zinc/45/80/59/173458059.db2.gz SNJIRWXBLUPETF-NURSFMCSSA-N 1 0 233.311 2.374 10 0 BEAERO C[NH2+][C@H](c1cnn(C)c1)C1(c2ccccc2)CC1 ZINC000062781294 173458323 /nfs/dbraw/zinc/45/83/23/173458323.db2.gz BIOAZKNLWDINAR-CQSZACIVSA-N 1 0 241.338 2.412 10 0 BEAERO C[NH2+][C@H]1CCN(Cc2cccs2)[C@@H](C)C1 ZINC000049712696 173465566 /nfs/dbraw/zinc/46/55/66/173465566.db2.gz DCDOPXCYVOCMPS-QWRGUYRKSA-N 1 0 224.373 2.320 10 0 BEAERO C[NH2+][C@H]1CCN([C@@H](C)c2sc(C)nc2C)C1 ZINC000049533880 173465709 /nfs/dbraw/zinc/46/57/09/173465709.db2.gz OTPUKPRRRBMPMX-ONGXEEELSA-N 1 0 239.388 2.115 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000042580688 173466772 /nfs/dbraw/zinc/46/67/72/173466772.db2.gz DKKVRRCXBXLPIG-QMMMGPOBSA-N 1 0 228.698 2.277 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2Cl)C1 ZINC000037483462 173467312 /nfs/dbraw/zinc/46/73/12/173467312.db2.gz IRKITRPNRJOWML-VIFPVBQESA-N 1 0 210.708 2.138 10 0 BEAERO COC(=O)CCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000037416606 173541673 /nfs/dbraw/zinc/54/16/73/173541673.db2.gz IONVMWBWIJNKSN-UHFFFAOYSA-N 1 0 235.327 2.346 10 0 BEAERO COC(C[NH2+][C@H](C)c1ccc(F)c(F)c1)OC ZINC000037566550 173963227 /nfs/dbraw/zinc/96/32/27/173963227.db2.gz VHGQZBMACGVBNL-MRVPVSSYSA-N 1 0 245.269 2.234 10 0 BEAERO COC1CC([NH2+][C@@H](C)COCc2ccccc2)C1 ZINC000347418335 174018207 /nfs/dbraw/zinc/01/82/07/174018207.db2.gz LFBAVRUKSAQWSD-GRTSSRMGSA-N 1 0 249.354 2.359 10 0 BEAERO COC1CC[NH+](C[C@H]2CCCCC[C@@H]2O)CC1 ZINC000053883127 174028105 /nfs/dbraw/zinc/02/81/05/174028105.db2.gz PJRXQABFBHNCAH-OCCSQVGLSA-N 1 0 241.375 2.038 10 0 BEAERO COC1CCN([C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000042901178 174031050 /nfs/dbraw/zinc/03/10/50/174031050.db2.gz FHQLPXSPCLINBR-SWLSCSKDSA-N 1 0 248.370 2.186 10 0 BEAERO COC1CC[NH+]([C@]2(CN)CCCC[C@H]2C)CC1 ZINC000037265949 174032455 /nfs/dbraw/zinc/03/24/55/174032455.db2.gz XJSYQIDRUAJWIR-OCCSQVGLSA-N 1 0 240.391 2.005 10 0 BEAERO COCC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000336726344 174075251 /nfs/dbraw/zinc/07/52/51/174075251.db2.gz VKXJAOZRSSMNIY-UTUOFQBUSA-N 1 0 241.375 2.062 10 0 BEAERO COCCCN(CCC[NH3+])c1cccc(F)c1 ZINC000037753565 174222310 /nfs/dbraw/zinc/22/23/10/174222310.db2.gz QEDYLAFMKBXWJO-UHFFFAOYSA-N 1 0 240.322 2.017 10 0 BEAERO COCCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000049830281 174248015 /nfs/dbraw/zinc/24/80/15/174248015.db2.gz LOHSNPILVXLYAU-UHFFFAOYSA-N 1 0 240.372 2.148 10 0 BEAERO COCCC[NH2+][C@@H](C)c1ccc(O)c(F)c1 ZINC000020551076 174249457 /nfs/dbraw/zinc/24/94/57/174249457.db2.gz REISNIDXNUOLDM-VIFPVBQESA-N 1 0 227.279 2.218 10 0 BEAERO COCCCO[C@H](C)[C@H]([NH3+])c1ccc(C)cc1 ZINC000037747094 174255774 /nfs/dbraw/zinc/25/57/74/174255774.db2.gz WMRLSMTXSCDDCV-OCCSQVGLSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCOc1cc(C[NH3+])nc2ccccc21 ZINC000103926690 174256859 /nfs/dbraw/zinc/25/68/59/174256859.db2.gz PHYILCCSUHTWEY-UHFFFAOYSA-N 1 0 246.310 2.109 10 0 BEAERO COCCCO[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043048711 174256884 /nfs/dbraw/zinc/25/68/84/174256884.db2.gz MJNDQUTYPUHIIL-GWCFXTLKSA-N 1 0 241.306 2.267 10 0 BEAERO COCCN([C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000042517857 174284778 /nfs/dbraw/zinc/28/47/78/174284778.db2.gz OLRBCNZBYUBKLR-CQSZACIVSA-N 1 0 240.391 2.005 10 0 BEAERO COCC[N@H+](C1CC1)[C@]1(CN)CCCC[C@@H]1C ZINC000042517898 174285181 /nfs/dbraw/zinc/28/51/81/174285181.db2.gz FEMBKSWMOJKWQO-JSGCOSHPSA-N 1 0 240.391 2.005 10 0 BEAERO COCC[N@H+](CC(C)C)[C@@](C)(CN)CC(C)C ZINC000042368268 174287253 /nfs/dbraw/zinc/28/72/53/174287253.db2.gz NBBDIBPCFKMCOK-CQSZACIVSA-N 1 0 244.423 2.354 10 0 BEAERO COCCN(CC(C)C)[C@@H](C)C[NH2+]CC(C)C ZINC000052508411 174287330 /nfs/dbraw/zinc/28/73/30/174287330.db2.gz ARTLFXKDMOLXOC-AWEZNQCLSA-N 1 0 244.423 2.225 10 0 BEAERO COCCN(CC(C)C)c1ccccc1C(N)=[NH2+] ZINC000042369414 174288621 /nfs/dbraw/zinc/28/86/21/174288621.db2.gz YYNSKYDOQCGKBU-UHFFFAOYSA-N 1 0 249.358 2.079 10 0 BEAERO COCC[N@H+](C[C@@](C)(O)c1ccccc1)C1CC1 ZINC000052097253 174297117 /nfs/dbraw/zinc/29/71/17/174297117.db2.gz BNWZBQHFZXQZJZ-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO COCC[N@H+](C[C@@H]1CCCC1=O)[C@@H](C)C1CC1 ZINC000053929850 174297750 /nfs/dbraw/zinc/29/77/50/174297750.db2.gz AETCGBSSEROLQF-AAEUAGOBSA-N 1 0 239.359 2.103 10 0 BEAERO COCC[N@H+](Cc1ccc(N)c(C)c1)C1CC1 ZINC000042519656 174299372 /nfs/dbraw/zinc/29/93/72/174299372.db2.gz RXLOVFSXHPSPSV-UHFFFAOYSA-N 1 0 234.343 2.188 10 0 BEAERO COCC[N@H+]([C@@H](C)C1CC1)[C@](C)(CN)C(C)C ZINC000042615273 174302311 /nfs/dbraw/zinc/30/23/11/174302311.db2.gz YEDUPWHSBJCGED-GXTWGEPZSA-N 1 0 242.407 2.107 10 0 BEAERO COCCN(c1ccccc1[C@@H](C)[NH3+])C1CC1 ZINC000042518539 174302673 /nfs/dbraw/zinc/30/26/73/174302673.db2.gz YNTWTVSHRHCOMW-LLVKDONJSA-N 1 0 234.343 2.322 10 0 BEAERO COCC[N@@H+]1C[C@@H]2C[C@]2(c2ccc(C)cc2)C1 ZINC000034893563 174318631 /nfs/dbraw/zinc/31/86/31/174318631.db2.gz GJSHPRWWDRKXBZ-LSDHHAIUSA-N 1 0 231.339 2.215 10 0 BEAERO COCC[NH2+]CC(=O)c1c(C)c(C)cc(C)c1C ZINC000049837344 174332533 /nfs/dbraw/zinc/33/25/33/174332533.db2.gz AUGPNOPBOHZNTK-UHFFFAOYSA-N 1 0 249.354 2.339 10 0 BEAERO COCC[NH2+]CCn1ccc2cc(C)ccc21 ZINC000104146227 174333441 /nfs/dbraw/zinc/33/34/41/174333441.db2.gz GABMSNMOLLGAQW-UHFFFAOYSA-N 1 0 232.327 2.186 10 0 BEAERO COCC[NH2+]CCOc1ccc(Cl)cc1C ZINC000041289569 174333805 /nfs/dbraw/zinc/33/38/05/174333805.db2.gz XVFXRVMPLYSYCH-UHFFFAOYSA-N 1 0 243.734 2.263 10 0 BEAERO COCC[NH2+]C[C@H]1C[C@@]1(C)c1ccccc1F ZINC000054599104 174334846 /nfs/dbraw/zinc/33/48/46/174334846.db2.gz WBNOGOJOLDUZSU-BXUZGUMPSA-N 1 0 237.318 2.339 10 0 BEAERO COCCOCCC[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000020191802 174349752 /nfs/dbraw/zinc/34/97/52/174349752.db2.gz SHDZHKYAFCDPOS-PBWFPOADSA-N 1 0 243.391 2.454 10 0 BEAERO COCCOCc1occc1C[NH2+]CC(C)C ZINC000052628186 174365001 /nfs/dbraw/zinc/36/50/01/174365001.db2.gz YHCHDBGFCBGPAJ-UHFFFAOYSA-N 1 0 241.331 2.188 10 0 BEAERO COCCO[C@]1(C[NH2+]C2CC2)CCC[C@@H](C)C1 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/nfs/dbraw/zinc/96/92/96/174969296.db2.gz VFECXNWMXYBFIB-UHFFFAOYSA-N 1 0 235.327 2.382 10 0 BEAERO COc1cc(NCCC[NH3+])c(OC)cc1Cl ZINC000096890085 175001836 /nfs/dbraw/zinc/00/18/36/175001836.db2.gz ILMSATZCGSITJV-UHFFFAOYSA-N 1 0 244.722 2.118 10 0 BEAERO COc1cc(OC)c([C@@H]([NH3+])C2CC2)c(OC)c1 ZINC000036960454 175007778 /nfs/dbraw/zinc/00/77/78/175007778.db2.gz ZPQBOWZFPHIXNE-ZDUSSCGKSA-N 1 0 237.299 2.122 10 0 BEAERO COc1cc(OC)c([C@H](C)[NH3+])cc1Cl ZINC000003705374 175007884 /nfs/dbraw/zinc/00/78/84/175007884.db2.gz SRNYHULKSHNBCV-LURJTMIESA-N 1 0 215.680 2.377 10 0 BEAERO COc1cc(OC)c([C@H](C)CC[NH3+])c(OC)c1 ZINC000096988632 175008149 /nfs/dbraw/zinc/00/81/49/175008149.db2.gz DZLVKEPIPVRABX-SECBINFHSA-N 1 0 239.315 2.165 10 0 BEAERO COc1cc(OC)c2c(c1)OCC[C@H]2[NH2+]C1CC1 ZINC000036204628 175008927 /nfs/dbraw/zinc/00/89/27/175008927.db2.gz ICRXXAHMEJNXQF-LLVKDONJSA-N 1 0 249.310 2.279 10 0 BEAERO COc1cc(OC)cc(OCCCCC[NH3+])c1 ZINC000041282157 175010698 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/nfs/dbraw/zinc/06/63/86/175066386.db2.gz KPCDJKQDIAWUCD-GFCCVEGCSA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000335362766 175074746 /nfs/dbraw/zinc/07/47/46/175074746.db2.gz ZIPCFEMVAXTCPV-OCCSQVGLSA-N 1 0 249.354 2.349 10 0 BEAERO COc1ccc(C)cc1N1CCC[NH2+]CCC1 ZINC000049663706 175076944 /nfs/dbraw/zinc/07/69/44/175076944.db2.gz VWJVCJBDJOAHIR-UHFFFAOYSA-N 1 0 234.343 2.193 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cccnc1 ZINC000011832184 175079801 /nfs/dbraw/zinc/07/98/01/175079801.db2.gz BHHPYKFJZCJLBC-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc(C)cc1[C@@]1(C)C[C@@H]1C[NH3+] ZINC000054588030 175081021 /nfs/dbraw/zinc/08/10/21/175081021.db2.gz CKVCHVXMTWEODT-MFKMUULPSA-N 1 0 205.301 2.240 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])[C@@H]1CCCO1 ZINC000036822925 175082236 /nfs/dbraw/zinc/08/22/36/175082236.db2.gz AAHVLUMAVNOCJZ-STQMWFEESA-N 1 0 221.300 2.182 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])[C@@H]1CCOC1 ZINC000048626160 175082270 /nfs/dbraw/zinc/08/22/70/175082270.db2.gz DDHUONPLQRRDML-ZWNOBZJWSA-N 1 0 221.300 2.040 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])CSC ZINC000055264797 175082400 /nfs/dbraw/zinc/08/24/00/175082400.db2.gz LIHKXNHEZSYGOQ-SNVBAGLBSA-N 1 0 211.330 2.366 10 0 BEAERO COc1ccc(C)cc1[C@H]1C[NH2+][C@@H](C)CO1 ZINC000036673453 175082411 /nfs/dbraw/zinc/08/24/11/175082411.db2.gz ZPBUEGBBIKKHAP-GXFFZTMASA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccncc1 ZINC000011832511 175082536 /nfs/dbraw/zinc/08/25/36/175082536.db2.gz NUFNRLSQPNGACK-CQSZACIVSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc(CC[NH2+]C2CCC2)cc1 ZINC000044479963 175091878 /nfs/dbraw/zinc/09/18/78/175091878.db2.gz RURCXJCCWIECCO-UHFFFAOYSA-N 1 0 205.301 2.380 10 0 BEAERO COc1ccc(CC[C@@H]2COC[C@H](C)[NH2+]2)cc1 ZINC000071545520 175093967 /nfs/dbraw/zinc/09/39/67/175093967.db2.gz CHLMCFVSTDKEHN-WCQYABFASA-N 1 0 235.327 2.005 10 0 BEAERO COc1ccc(CC[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000041266213 175093974 /nfs/dbraw/zinc/09/39/74/175093974.db2.gz IWTNDDDMUPUUHP-LBPRGKRZSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(C[NH3+])cc1Cn1nc(C)cc1C ZINC000016942085 175097914 /nfs/dbraw/zinc/09/79/14/175097914.db2.gz DKCKNZGMRDEJEU-UHFFFAOYSA-N 1 0 245.326 2.016 10 0 BEAERO COc1ccc(C[C@@H](C)CC[NH3+])cc1OC ZINC000041242710 175114914 /nfs/dbraw/zinc/11/49/14/175114914.db2.gz SNCZPTZGMIASNY-JTQLQIEISA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(C[C@@H](O)CC[NH3+])cc1C(C)C ZINC000041278986 175115581 /nfs/dbraw/zinc/11/55/81/175115581.db2.gz IZLLAZDFLLVEJW-LBPRGKRZSA-N 1 0 237.343 2.071 10 0 BEAERO COc1ccc(C[C@H]([NH3+])c2cncc(F)c2)cc1 ZINC000049576513 175116980 /nfs/dbraw/zinc/11/69/80/175116980.db2.gz XILIZNYJZLPNPL-AWEZNQCLSA-N 1 0 246.285 2.472 10 0 BEAERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCOC2)cc1 ZINC000109544655 175117336 /nfs/dbraw/zinc/11/73/36/175117336.db2.gz PPMKRSBXRSABQF-JSGCOSHPSA-N 1 0 249.354 2.395 10 0 BEAERO COc1ccc(C[C@H](C)[C@@H](C)[NH3+])cc1F ZINC000037947430 175117351 /nfs/dbraw/zinc/11/73/51/175117351.db2.gz GCKLLJCOWPRSAU-DTWKUNHWSA-N 1 0 211.280 2.360 10 0 BEAERO COc1ccc(Cl)cc1C1([NH3+])CCOCC1 ZINC000034963529 175120848 /nfs/dbraw/zinc/12/08/48/175120848.db2.gz YTQJHUVHFGFFGO-UHFFFAOYSA-N 1 0 241.718 2.313 10 0 BEAERO COc1ccc(Cl)cc1C[C@@H](C)C[NH3+] ZINC000052946739 175121142 /nfs/dbraw/zinc/12/11/42/175121142.db2.gz GINWBETXTSSILU-MRVPVSSYSA-N 1 0 213.708 2.486 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccoc1 ZINC000035381476 175134413 /nfs/dbraw/zinc/13/44/13/175134413.db2.gz SWAPXSKPSRJFRY-GFCCVEGCSA-N 1 0 221.231 2.475 10 0 BEAERO COc1ccc(F)cc1[C@H](O)CC[NH2+]C(C)C ZINC000049830574 175134506 /nfs/dbraw/zinc/13/45/06/175134506.db2.gz JVDCYORLGWQHHV-GFCCVEGCSA-N 1 0 241.306 2.256 10 0 BEAERO COc1ccc(NC2CC[NH2+]CC2)c(C)c1 ZINC000061566751 175149552 /nfs/dbraw/zinc/14/95/52/175149552.db2.gz CGPISVNEGLGVCL-UHFFFAOYSA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(NCC[C@@H](C)C[NH3+])cc1 ZINC000049814312 175150347 /nfs/dbraw/zinc/15/03/47/175150347.db2.gz AIIJHRYWXOKICH-SNVBAGLBSA-N 1 0 208.305 2.092 10 0 BEAERO COc1ccc(NCc2c[nH]c(C)n2)cc1 ZINC000054798147 175151622 /nfs/dbraw/zinc/15/16/22/175151622.db2.gz VUHFFIGPIGLXKI-UHFFFAOYSA-N 1 0 217.272 2.339 10 0 BEAERO COc1ccc(N[C@@H](C[NH3+])C(C)C)cc1 ZINC000026442829 175153750 /nfs/dbraw/zinc/15/37/50/175153750.db2.gz DFACKGWGILCWAI-LBPRGKRZSA-N 1 0 208.305 2.090 10 0 BEAERO COc1ccc(N[C@@H]2CC[N@H+](C)C2)cc1C ZINC000061989629 175153998 /nfs/dbraw/zinc/15/39/98/175153998.db2.gz FQXDUQRZAPUOAF-GFCCVEGCSA-N 1 0 220.316 2.120 10 0 BEAERO COc1ccc(N[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000061989934 175154242 /nfs/dbraw/zinc/15/42/42/175154242.db2.gz ZHDQZGPRIVJGQY-LLVKDONJSA-N 1 0 220.316 2.120 10 0 BEAERO COc1ccc(N[C@H](C)[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000037208585 175154888 /nfs/dbraw/zinc/15/48/88/175154888.db2.gz RVNIBTWOIABYIG-VXGBXAGGSA-N 1 0 249.358 2.232 10 0 BEAERO COc1ccc(OC)c(CCC[NH2+]C2CC2)c1 ZINC000041265984 175165130 /nfs/dbraw/zinc/16/51/30/175165130.db2.gz XFRKYOYDZXZIQN-UHFFFAOYSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(OC)c(CCC[C@H](C)[NH3+])c1 ZINC000041242675 175165654 /nfs/dbraw/zinc/16/56/54/175165654.db2.gz PPSLMQFPXUBZLM-JTQLQIEISA-N 1 0 223.316 2.374 10 0 BEAERO COc1ccc(OC)c(Nc2cc[nH+]cc2N)c1 ZINC000020585265 175167192 /nfs/dbraw/zinc/16/71/92/175167192.db2.gz BFKWGVQYDNEDST-UHFFFAOYSA-N 1 0 245.282 2.425 10 0 BEAERO COc1ccc(OC)c([C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000079902851 175167425 /nfs/dbraw/zinc/16/74/25/175167425.db2.gz UAMNTFVOOIFRPQ-QWRGUYRKSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc(OC)c([C@@H]2C[NH2+][C@@H](C)C2)c1 ZINC000070586839 175168481 /nfs/dbraw/zinc/16/84/81/175168481.db2.gz RBJOSJKDKSSKJQ-UWVGGRQHSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc(OC)c([C@H]([NH3+])C2CC2)c1 ZINC000003739206 175168591 /nfs/dbraw/zinc/16/85/91/175168591.db2.gz CCDUCJZVHRPZPE-GFCCVEGCSA-N 1 0 207.273 2.114 10 0 BEAERO COc1ccc(OC)c([C@H]([NH3+])c2ccncc2)c1 ZINC000011832485 175168844 /nfs/dbraw/zinc/16/88/44/175168844.db2.gz FZGXDHVVHWGMHP-CQSZACIVSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc(OC)c([C@H]2C[C@@H](C)C[NH2+]2)c1 ZINC000003704340 175168917 /nfs/dbraw/zinc/16/89/17/175168917.db2.gz CQOHQUKEEZSHMY-BXKDBHETSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(OC)c2c1CC[C@H]1[NH2+]CCC[C@@H]21 ZINC000029224121 175170726 /nfs/dbraw/zinc/17/07/26/175170726.db2.gz KZNMPLOCPFLSKP-ZYHUDNBSSA-N 1 0 247.338 2.486 10 0 BEAERO COc1ccc(OCC(F)(F)F)c(CC[NH3+])c1 ZINC000037719993 175172155 /nfs/dbraw/zinc/17/21/55/175172155.db2.gz HDOHTJPNMJAEQM-UHFFFAOYSA-N 1 0 249.232 2.138 10 0 BEAERO COc1ccc(SCCC[NH3+])cc1OC ZINC000019686379 175174956 /nfs/dbraw/zinc/17/49/56/175174956.db2.gz WWNYTOSBSUBCSL-UHFFFAOYSA-N 1 0 227.329 2.145 10 0 BEAERO COc1ccc([C@@H](C)CC[NH3+])c(OC)c1 ZINC000041218661 175176207 /nfs/dbraw/zinc/17/62/07/175176207.db2.gz BHEQLAALCBBFCW-VIFPVBQESA-N 1 0 209.289 2.156 10 0 BEAERO COc1ccc([C@@H](CO)[NH2+]C2CC2)cc1Cl ZINC000071550897 175179167 /nfs/dbraw/zinc/17/91/67/175179167.db2.gz DVZQEGUJJBROTM-LLVKDONJSA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1C ZINC000049828896 175181004 /nfs/dbraw/zinc/18/10/04/175181004.db2.gz CFIKYHJWWJATEH-LBPRGKRZSA-N 1 0 237.343 2.425 10 0 BEAERO COc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000042244713 175181020 /nfs/dbraw/zinc/18/10/20/175181020.db2.gz KDWSGSIEVBYSHV-WFASDCNBSA-N 1 0 249.354 2.461 10 0 BEAERO COc1ccc([C@@H](OCC[NH3+])C2CC2)cc1C ZINC000071545705 175181860 /nfs/dbraw/zinc/18/18/60/175181860.db2.gz ILCWSNOEVTWWAF-AWEZNQCLSA-N 1 0 235.327 2.430 10 0 BEAERO COc1ccc([C@@H]([C@H](C)[NH3+])n2cc(C)cn2)cc1 ZINC000042962335 175181991 /nfs/dbraw/zinc/18/19/91/175181991.db2.gz YBPOHGHNBCHCMY-SMDDNHRTSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000082595189 175182463 /nfs/dbraw/zinc/18/24/63/175182463.db2.gz XAUVKDHLMLRFCG-MRVPVSSYSA-N 1 0 211.692 2.426 10 0 BEAERO COc1ccc([C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000020438638 175182977 /nfs/dbraw/zinc/18/29/77/175182977.db2.gz DTEZNROPXJGMPM-SNVBAGLBSA-N 1 0 221.300 2.171 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]CC(C)(C)O2)cc1 ZINC000011803127 175183602 /nfs/dbraw/zinc/18/36/02/175183602.db2.gz KREFRNFLNQTLSP-LBPRGKRZSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C)C2)c(OC)c1 ZINC000083109976 175183719 /nfs/dbraw/zinc/18/37/19/175183719.db2.gz OLFPTIQCEKDFQX-QWRGUYRKSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+][C@H]2C)c(OC)c1 ZINC000051954050 175183806 /nfs/dbraw/zinc/18/38/06/175183806.db2.gz ATWCALBGAYLRJS-GXSJLCMTSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+][C@@H]2C)cc1C ZINC000051953799 175184038 /nfs/dbraw/zinc/18/40/38/175184038.db2.gz QHUPWZXGAOLFJA-ZYHUDNBSSA-N 1 0 205.301 2.469 10 0 BEAERO COc1ccc([C@@H]2CSCC[NH2+]2)cc1F ZINC000041248312 175184157 /nfs/dbraw/zinc/18/41/57/175184157.db2.gz QBDSAXAOIMUVSF-JTQLQIEISA-N 1 0 227.304 2.212 10 0 BEAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1OC ZINC000070586823 175184218 /nfs/dbraw/zinc/18/42/18/175184218.db2.gz MXUAFHLBUPMWPY-ONGXEEELSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@@H]2[C@H](C[NH3+])C2(C)C)cc1OC ZINC000076682597 175186272 /nfs/dbraw/zinc/18/62/72/175186272.db2.gz FMNKCRMRHBDCKZ-GXFFZTMASA-N 1 0 235.327 2.402 10 0 BEAERO COc1ccc([C@H](CO)[NH2+]C2CC2)cc1Cl ZINC000071550898 175190694 /nfs/dbraw/zinc/19/06/94/175190694.db2.gz DVZQEGUJJBROTM-NSHDSACASA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc([C@H](N)[C@H](C)[N@H+](C)CC2CC2)cc1 ZINC000037925416 175191655 /nfs/dbraw/zinc/19/16/55/175191655.db2.gz IXKNXVHGBVFMRX-XHDPSFHLSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@H](C)n2ccnc2)cc1 ZINC000023069219 175191728 /nfs/dbraw/zinc/19/17/28/175191728.db2.gz MNSMZEBWLTZVCR-GXFFZTMASA-N 1 0 231.299 2.153 10 0 BEAERO COc1ccc([C@H]([NH3+])c2ccccn2)cc1OC ZINC000011737318 175192935 /nfs/dbraw/zinc/19/29/35/175192935.db2.gz LZQHYXPVNAAMKX-AWEZNQCLSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc([C@H](O)C2CC[NH2+]CC2)c(C)c1 ZINC000083140126 175193251 /nfs/dbraw/zinc/19/32/51/175193251.db2.gz NIUUSTBCHDBMHP-CQSZACIVSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc([C@H](OCC[NH3+])C2CC2)cc1 ZINC000071523049 175193937 /nfs/dbraw/zinc/19/39/37/175193937.db2.gz FVCAPWMRLXFXNI-CYBMUJFWSA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccc([C@H](OCC[NH3+])C2CC2)cc1C ZINC000071545704 175193943 /nfs/dbraw/zinc/19/39/43/175193943.db2.gz ILCWSNOEVTWWAF-CQSZACIVSA-N 1 0 235.327 2.430 10 0 BEAERO COc1ccc([C@H]2C[NH2+]C(C)(C)CO2)cc1F ZINC000036673123 175195556 /nfs/dbraw/zinc/19/55/56/175195556.db2.gz DXHHVTXUEFGTPR-GFCCVEGCSA-N 1 0 239.290 2.274 10 0 BEAERO COc1ccc([C@H]2CC[C@H]([NH3+])C2)cc1F ZINC000070636575 175195567 /nfs/dbraw/zinc/19/55/67/175195567.db2.gz GABLSUYQTOJLEP-WPRPVWTQSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc([C@H]2[NH2+]CC[C@H]2C)cc1OC ZINC000003733637 175199354 /nfs/dbraw/zinc/19/93/54/175199354.db2.gz CRCKHFKGXGLRSG-RNCFNFMXSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc2[nH]cc(C(=O)[C@H]3CCC[NH2+]3)c2c1 ZINC000041290550 175202179 /nfs/dbraw/zinc/20/21/79/175202179.db2.gz VSXSWTYGLMWZIJ-CYBMUJFWSA-N 1 0 244.294 2.111 10 0 BEAERO COc1ccc2c(c1)CCC[C@@]21CC[NH2+]C1 ZINC000027738544 175207843 /nfs/dbraw/zinc/20/78/43/175207843.db2.gz RXEVEFQGXDSIHV-AWEZNQCLSA-N 1 0 217.312 2.263 10 0 BEAERO COc1ccc2c(c1)CC[NH2+][C@H]2C1CCOCC1 ZINC000083666000 175208631 /nfs/dbraw/zinc/20/86/31/175208631.db2.gz KSACHJKAXXGVGL-HNNXBMFYSA-N 1 0 247.338 2.309 10 0 BEAERO COc1ccc2c(c1)CC[NH2+][C@@H]2C1CCOCC1 ZINC000083665999 175209223 /nfs/dbraw/zinc/20/92/23/175209223.db2.gz KSACHJKAXXGVGL-OAHLLOKOSA-N 1 0 247.338 2.309 10 0 BEAERO COc1ccc2c(c1)CC[NH2+][C@H]2c1ccccn1 ZINC000003703136 175209557 /nfs/dbraw/zinc/20/95/57/175209557.db2.gz BBZRKCFLHGWGMU-OAHLLOKOSA-N 1 0 240.306 2.325 10 0 BEAERO COc1ccc2c(c1)CC[C@@H](n1ccnc1)[C@H]2[NH3+] ZINC000019264110 175209653 /nfs/dbraw/zinc/20/96/53/175209653.db2.gz ZXNARMDEXQMJAQ-KGLIPLIRSA-N 1 0 243.310 2.079 10 0 BEAERO COc1ccc2c(c1)CC[C@@]21CCC[NH2+]1 ZINC000066348128 175209680 /nfs/dbraw/zinc/20/96/80/175209680.db2.gz DLXUWECXOLMPER-ZDUSSCGKSA-N 1 0 203.285 2.220 10 0 BEAERO COc1ccc2c(c1)CC[C@@H]([N@H+](C)C(C)C)[C@H]2N ZINC000019385635 175209838 /nfs/dbraw/zinc/20/98/38/175209838.db2.gz POQGCXCGFLJTNV-CABCVRRESA-N 1 0 248.370 2.350 10 0 BEAERO COc1ccc2c(c1)OC1(CC[NH2+]CC1)CC2 ZINC000036141531 175212285 /nfs/dbraw/zinc/21/22/85/175212285.db2.gz XCYFHJYKLNDPJP-UHFFFAOYSA-N 1 0 233.311 2.142 10 0 BEAERO COc1ccc2c(c1)c(CC[C@@H](C)[NH3+])cn2C ZINC000082604216 175217897 /nfs/dbraw/zinc/21/78/97/175217897.db2.gz NNTURJCUDBPHGP-SNVBAGLBSA-N 1 0 232.327 2.467 10 0 BEAERO COc1ccc2c3c([nH]c2c1OC)[C@H]([NH3+])CC3 ZINC000020217081 175223674 /nfs/dbraw/zinc/22/36/74/175223674.db2.gz LPARADBCOWTGDM-SECBINFHSA-N 1 0 232.283 2.131 10 0 BEAERO COc1ccc2c3c1[C@H](C[NH3+])CC[C@H]3CO2 ZINC000013525296 175223748 /nfs/dbraw/zinc/22/37/48/175223748.db2.gz NMAPUKLHAPDGKS-IUCAKERBSA-N 1 0 219.284 2.007 10 0 BEAERO COc1ccc2ccccc2c1[C@@H](O)[C@H](C)[NH3+] ZINC000037290035 175226737 /nfs/dbraw/zinc/22/67/37/175226737.db2.gz IPUGESOQARFGAH-XPTSAGLGSA-N 1 0 231.295 2.229 10 0 BEAERO COc1ccc2ccccc2c1[C@@H](O)[C@@H](C)[NH3+] ZINC000037290036 175226810 /nfs/dbraw/zinc/22/68/10/175226810.db2.gz IPUGESOQARFGAH-OTYXRUKQSA-N 1 0 231.295 2.229 10 0 BEAERO COc1ccc2oc([C@H](C)CC[NH3+])nc2c1 ZINC000083016173 175231431 /nfs/dbraw/zinc/23/14/31/175231431.db2.gz OKHATNIQKLHBTJ-MRVPVSSYSA-N 1 0 220.272 2.289 10 0 BEAERO COc1cccc(-c2cccc(C(N)=[NH2+])n2)c1 ZINC000071186729 175234343 /nfs/dbraw/zinc/23/43/43/175234343.db2.gz CBTRPOJYOWEPDH-UHFFFAOYSA-N 1 0 227.267 2.041 10 0 BEAERO COc1cccc(CC[C@@H]2COC[C@@H](C)[NH2+]2)c1 ZINC000071545511 175253428 /nfs/dbraw/zinc/25/34/28/175253428.db2.gz DRQQIIYYXXWLIP-DGCLKSJQSA-N 1 0 235.327 2.005 10 0 BEAERO COc1cccc(CN(CC[NH3+])C2CCCC2)c1 ZINC000032103938 175257356 /nfs/dbraw/zinc/25/73/56/175257356.db2.gz XHAIGTYRPJRNII-UHFFFAOYSA-N 1 0 248.370 2.399 10 0 BEAERO COc1cccc(C[N@@H+]2CCCC[C@H](CO)C2)c1 ZINC000374034752 175259147 /nfs/dbraw/zinc/25/91/47/175259147.db2.gz AHJPSWPPPRWRBK-AWEZNQCLSA-N 1 0 249.354 2.290 10 0 BEAERO COc1cccc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000234978544 175260393 /nfs/dbraw/zinc/26/03/93/175260393.db2.gz ZFGDCWQLGNSFSP-TZMCWYRMSA-N 1 0 248.370 2.254 10 0 BEAERO COc1cccc(CO[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000050503127 175269430 /nfs/dbraw/zinc/26/94/30/175269430.db2.gz FBJPCZPVVKYJBR-STQMWFEESA-N 1 0 221.300 2.092 10 0 BEAERO COc1cccc(CO[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000050503125 175269763 /nfs/dbraw/zinc/26/97/63/175269763.db2.gz FBJPCZPVVKYJBR-QWHCGFSZSA-N 1 0 221.300 2.092 10 0 BEAERO COc1cccc(C[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000022129967 175271204 /nfs/dbraw/zinc/27/12/04/175271204.db2.gz KGYOHEQHPLVXPU-AAEUAGOBSA-N 1 0 205.301 2.365 10 0 BEAERO COc1cccc(C[C@@H]([NH3+])Cc2ccco2)c1 ZINC000011599707 175271276 /nfs/dbraw/zinc/27/12/76/175271276.db2.gz VSFCHYMAVINCSA-GFCCVEGCSA-N 1 0 231.295 2.401 10 0 BEAERO COc1cccc(C[C@H]([NH3+])c2ccnc(C)n2)c1 ZINC000096986407 175272516 /nfs/dbraw/zinc/27/25/16/175272516.db2.gz JVUGSZUMXSZXEX-ZDUSSCGKSA-N 1 0 243.310 2.036 10 0 BEAERO COc1cccc(N(C)C[C@@H]([NH3+])CC2CC2)c1 ZINC000082341641 175275010 /nfs/dbraw/zinc/27/50/10/175275010.db2.gz LGYMVNYBHBXLKU-LBPRGKRZSA-N 1 0 234.343 2.259 10 0 BEAERO COc1cccc(N2C[C@H](C)C[NH2+]C[C@@H](C)C2)c1 ZINC000049665512 175275757 /nfs/dbraw/zinc/27/57/57/175275757.db2.gz YEHIDZDMYKCASB-CHWSQXEVSA-N 1 0 248.370 2.377 10 0 BEAERO COc1cccc(N[C@H](C[NH3+])c2ccco2)c1 ZINC000057520331 175279983 /nfs/dbraw/zinc/27/99/83/175279983.db2.gz OCSGMVVHBUPSPS-GFCCVEGCSA-N 1 0 232.283 2.400 10 0 BEAERO COc1cccc(OC)c1OCC(C)(C)C[NH3+] ZINC000041282093 175281436 /nfs/dbraw/zinc/28/14/36/175281436.db2.gz GOIMTAMTXHUNKK-UHFFFAOYSA-N 1 0 239.315 2.068 10 0 BEAERO COc1cccc(O[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000019398076 175284352 /nfs/dbraw/zinc/28/43/52/175284352.db2.gz OOQZNVDFFQHGTL-CHWSQXEVSA-N 1 0 221.300 2.344 10 0 BEAERO COc1cccc(OC[C@@H]([NH3+])C(C)C)c1 ZINC000041218743 175284450 /nfs/dbraw/zinc/28/44/50/175284450.db2.gz ZIMYRHBLJURCHQ-GFCCVEGCSA-N 1 0 209.289 2.057 10 0 BEAERO COc1cccc(Oc2ncccc2C(N)=[NH2+])c1 ZINC000019518591 175284757 /nfs/dbraw/zinc/28/47/57/175284757.db2.gz DYACSIGHHVAFIC-UHFFFAOYSA-N 1 0 243.266 2.167 10 0 BEAERO COc1cccc([C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000103494626 175286632 /nfs/dbraw/zinc/28/66/32/175286632.db2.gz OKFIOMUWAIXDJS-GFCCVEGCSA-N 1 0 234.343 2.004 10 0 BEAERO COc1cccc([C@@H](SC)[C@H](C)[NH3+])c1 ZINC000043032971 175289522 /nfs/dbraw/zinc/28/95/22/175289522.db2.gz XEOKAUOVLDSSLV-KWQFWETISA-N 1 0 211.330 2.447 10 0 BEAERO CCCC1(CNC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000225813255 487630274 /nfs/dbraw/zinc/63/02/74/487630274.db2.gz VHANYTAUAIOWHV-NSHDSACASA-N 1 0 226.364 2.056 10 0 BEAERO COc1cccc([C@@](C)([NH3+])c2cncc(F)c2)c1 ZINC000049576012 175291655 /nfs/dbraw/zinc/29/16/55/175291655.db2.gz RYWIVRTWVSUMCE-CQSZACIVSA-N 1 0 246.285 2.452 10 0 BEAERO COc1cccc([C@H](C)N2CC[NH+](C)CC2)c1 ZINC000103494625 175292433 /nfs/dbraw/zinc/29/24/33/175292433.db2.gz OKFIOMUWAIXDJS-LBPRGKRZSA-N 1 0 234.343 2.004 10 0 BEAERO COc1cccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367625728 175293664 /nfs/dbraw/zinc/29/36/64/175293664.db2.gz LTIWIMSWUBIEAR-FBUXBERBSA-N 1 0 247.338 2.238 10 0 BEAERO COc1cccc([C@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000071525198 175294770 /nfs/dbraw/zinc/29/47/70/175294770.db2.gz ZFVOVOWAFUQXIL-ZWNOBZJWSA-N 1 0 223.316 2.115 10 0 BEAERO COc1cccc([C@H]2C[NH2+]C[C@H](C)C2)c1OC ZINC000083109985 175295848 /nfs/dbraw/zinc/29/58/48/175295848.db2.gz XWWLGEZPALXKDO-GHMZBOCLSA-N 1 0 235.327 2.417 10 0 BEAERO COc1cccc2c1CC[C@@H](C[NH+](C)C)C2=O ZINC000165881804 175301913 /nfs/dbraw/zinc/30/19/13/175301913.db2.gz LTYHOOSIBPZOEQ-JTQLQIEISA-N 1 0 233.311 2.002 10 0 BEAERO COc1cccc2c1C[C@H]1CCC[NH2+][C@H]1C2 ZINC000027416688 175303244 /nfs/dbraw/zinc/30/32/44/175303244.db2.gz XGPVZNWBBGCYKA-YPMHNXCESA-N 1 0 217.312 2.162 10 0 BEAERO COc1cccc2c1OC(C)(C)C[C@H]2[NH3+] ZINC000082377931 175304004 /nfs/dbraw/zinc/30/40/04/175304004.db2.gz RYBMZXJFUOLJOV-SECBINFHSA-N 1 0 207.273 2.256 10 0 BEAERO COc1cccc2c1OC[C@H]2[NH2+]C(C)C ZINC000035652572 175305173 /nfs/dbraw/zinc/30/51/73/175305173.db2.gz HYQLFUFOYCMHPF-SNVBAGLBSA-N 1 0 207.273 2.127 10 0 BEAERO COc1ccccc1-c1nnc(CCC[NH3+])s1 ZINC000040541864 175311887 /nfs/dbraw/zinc/31/18/87/175311887.db2.gz JDIVUUGYERDQNM-UHFFFAOYSA-N 1 0 249.339 2.105 10 0 BEAERO COc1ccccc1/C=C/C[NH2+]CC(C)(C)O ZINC000111385905 175314851 /nfs/dbraw/zinc/31/48/51/175314851.db2.gz DJWYKHPEXXXYAX-SOFGYWHQSA-N 1 0 235.327 2.069 10 0 BEAERO COc1ccccc1CN(C)CC[NH2+]C(C)C ZINC000042307975 175324862 /nfs/dbraw/zinc/32/48/62/175324862.db2.gz HSDBHOXCDSSZNP-UHFFFAOYSA-N 1 0 236.359 2.125 10 0 BEAERO COc1ccccc1CN(CC[NH3+])C1CCCC1 ZINC000032103936 175326038 /nfs/dbraw/zinc/32/60/38/175326038.db2.gz PRBSVJYOLJDBPW-UHFFFAOYSA-N 1 0 248.370 2.399 10 0 BEAERO COc1ccccc1CN1CCC[NH2+][C@@H](C)CC1 ZINC000049663962 175328299 /nfs/dbraw/zinc/32/82/99/175328299.db2.gz UTSSQORQLBWOLH-ZDUSSCGKSA-N 1 0 248.370 2.269 10 0 BEAERO COc1ccccc1C[C@@H]1C[NH2+][C@@H](C)C1 ZINC000082930997 175332803 /nfs/dbraw/zinc/33/28/03/175332803.db2.gz CFZUYQMPCUZSOX-WDEREUQCSA-N 1 0 205.301 2.236 10 0 BEAERO COc1ccccc1NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000019482782 175336737 /nfs/dbraw/zinc/33/67/37/175336737.db2.gz JYDKYAKDYNDCPB-ZYHUDNBSSA-N 1 0 248.326 2.164 10 0 BEAERO COc1ccccc1NCC[C@H](C)C[NH3+] ZINC000049814307 175338050 /nfs/dbraw/zinc/33/80/50/175338050.db2.gz MSJMKRMKLLLNMO-JTQLQIEISA-N 1 0 208.305 2.092 10 0 BEAERO COc1ccccc1OCCC[C@H](C)[NH3+] ZINC000041218713 175341158 /nfs/dbraw/zinc/34/11/58/175341158.db2.gz ATDAKJQDLLEKJF-JTQLQIEISA-N 1 0 209.289 2.201 10 0 BEAERO COc1ccccc1OCC[C@@H](C)C[NH3+] ZINC000041218719 175341965 /nfs/dbraw/zinc/34/19/65/175341965.db2.gz DMYGPOJGAOCHQY-SNVBAGLBSA-N 1 0 209.289 2.059 10 0 BEAERO COc1ccccc1[C@@H](C)[NH2+]Cc1ccnn1C ZINC000036901163 175345301 /nfs/dbraw/zinc/34/53/01/175345301.db2.gz LZQJXNSNMDPSBE-LLVKDONJSA-N 1 0 245.326 2.280 10 0 BEAERO COc1ccccc1[C@@H](C[NH3+])OCC(F)(F)F ZINC000043098944 175345847 /nfs/dbraw/zinc/34/58/47/175345847.db2.gz BLULTYLPORBGHZ-SNVBAGLBSA-N 1 0 249.232 2.274 10 0 BEAERO COc1ccccc1[C@@H](C[NH3+])N(C)C(C)C ZINC000022223697 175345964 /nfs/dbraw/zinc/34/59/64/175345964.db2.gz RTDCMYLVHJPCBK-GFCCVEGCSA-N 1 0 222.332 2.035 10 0 BEAERO COc1ccccc1[C@@H](C[NH3+])C(F)(F)F ZINC000082719063 175346171 /nfs/dbraw/zinc/34/61/71/175346171.db2.gz GBEFVFHIXRRPNI-MRVPVSSYSA-N 1 0 219.206 2.300 10 0 BEAERO COc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000044117525 175347442 /nfs/dbraw/zinc/34/74/42/175347442.db2.gz LEHSPWQFIXTSSW-OCCSQVGLSA-N 1 0 249.354 2.461 10 0 BEAERO COc1ccccc1[C@@H](SC)[C@H](C)[NH3+] ZINC000043101882 175347500 /nfs/dbraw/zinc/34/75/00/175347500.db2.gz UCYIQDGPGJZZLO-KWQFWETISA-N 1 0 211.330 2.447 10 0 BEAERO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)C(C)C ZINC000130483852 175354499 /nfs/dbraw/zinc/35/44/99/175354499.db2.gz RIGCUDNJPXWCPK-WCQYABFASA-N 1 0 237.343 2.363 10 0 BEAERO COc1ccccc1[C@H](SC)[C@@H](C)[NH3+] ZINC000043101891 175354714 /nfs/dbraw/zinc/35/47/14/175354714.db2.gz UCYIQDGPGJZZLO-LDYMZIIASA-N 1 0 211.330 2.447 10 0 BEAERO COc1ccccc1[C@H]1CSCC[NH2+]1 ZINC000041218915 175355404 /nfs/dbraw/zinc/35/54/04/175355404.db2.gz XDPKROPREPVSAB-SNVBAGLBSA-N 1 0 209.314 2.073 10 0 BEAERO COc1ccccc1[C@](O)(C[NH2+]C1CC1)C(C)C ZINC000032104744 175356433 /nfs/dbraw/zinc/35/64/33/175356433.db2.gz QVDHCNGZYBTKAX-HNNXBMFYSA-N 1 0 249.354 2.291 10 0 BEAERO CSC1(C[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000336712497 175451548 /nfs/dbraw/zinc/45/15/48/175451548.db2.gz UZADAAJVGHWUPI-JTQLQIEISA-N 1 0 231.405 2.269 10 0 BEAERO CSc1ccc2c(c1)[C@@H](O)[C@@H]([NH3+])CCC2 ZINC000026652594 175579375 /nfs/dbraw/zinc/57/93/75/175579375.db2.gz BEYXSONTGOGVDM-NWDGAFQWSA-N 1 0 223.341 2.106 10 0 BEAERO C[C@@H](CO)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000085527311 175762295 /nfs/dbraw/zinc/76/22/95/175762295.db2.gz VZFAHARCGRLZCQ-OIBJUYFYSA-N 1 0 244.132 2.077 10 0 BEAERO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000035272461 175781680 /nfs/dbraw/zinc/78/16/80/175781680.db2.gz VSCUXIOAOMOHNY-AVGNSLFASA-N 1 0 221.348 2.440 10 0 BEAERO C[C@@H]([NH3+])CCN1c2ccccc2C[C@H]1C ZINC000037401899 175804995 /nfs/dbraw/zinc/80/49/95/175804995.db2.gz HFERPAFNOBLLFH-GHMZBOCLSA-N 1 0 204.317 2.175 10 0 BEAERO C[C@@H]([NH3+])CN(C)c1ccc(F)c(Cl)c1 ZINC000020239551 175806053 /nfs/dbraw/zinc/80/60/53/175806053.db2.gz CNDNYXILJHUHJG-SSDOTTSWSA-N 1 0 216.687 2.263 10 0 BEAERO C[C@@H]([NH3+])Cc1cccc(OCc2ccno2)c1 ZINC000037726549 175806965 /nfs/dbraw/zinc/80/69/65/175806965.db2.gz FQGDIUMGPQZZOY-SNVBAGLBSA-N 1 0 232.283 2.143 10 0 BEAERO C[C@@H]([NH3+])Cc1ccc(OCc2ccno2)cc1 ZINC000037723727 175807266 /nfs/dbraw/zinc/80/72/66/175807266.db2.gz XTGFSZVHRLDDAH-SNVBAGLBSA-N 1 0 232.283 2.143 10 0 BEAERO C[C@@H]([NH3+])[C@H](Sc1cnn(C)c1)C(C)(C)C ZINC000043297969 175812588 /nfs/dbraw/zinc/81/25/88/175812588.db2.gz TVGIHTDWSCUAMV-SCZZXKLOSA-N 1 0 227.377 2.274 10 0 BEAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1CO)C(C)(C)C ZINC000104341610 175812290 /nfs/dbraw/zinc/81/22/90/175812290.db2.gz YIKXAESLQJLTKD-MFKMUULPSA-N 1 0 237.343 2.320 10 0 BEAERO C[C@@H]([NH3+])c1ccc(OC[C@H]2CCCO2)cc1 ZINC000019258647 175817800 /nfs/dbraw/zinc/81/78/00/175817800.db2.gz OVFLZTJGOKCKOP-ZWNOBZJWSA-N 1 0 221.300 2.264 10 0 BEAERO C[C@@H]([NH3+])c1nc(-c2ccccn2)cs1 ZINC000011887244 175819773 /nfs/dbraw/zinc/81/97/73/175819773.db2.gz LNJIDLSPRJKYHG-SSDOTTSWSA-N 1 0 205.286 2.225 10 0 BEAERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1 ZINC000037152617 175859535 /nfs/dbraw/zinc/85/95/35/175859535.db2.gz QEEYBQIPAGBQJC-LMWSTFAQSA-N 1 0 246.354 2.381 10 0 BEAERO C[C@@H](OCC[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068591 176002305 /nfs/dbraw/zinc/00/23/05/176002305.db2.gz SXTVTPRCXKXUBC-VXGBXAGGSA-N 1 0 222.332 2.482 10 0 BEAERO C[C@@H](OCC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068583 176002631 /nfs/dbraw/zinc/00/26/31/176002631.db2.gz HQABFCGXUNVVMG-VXGBXAGGSA-N 1 0 235.331 2.086 10 0 BEAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)C1CC1 ZINC000037080933 176011299 /nfs/dbraw/zinc/01/12/99/176011299.db2.gz UFEQFKMSUZHZAL-GXFFZTMASA-N 1 0 204.317 2.169 10 0 BEAERO C[C@@H]([C@H]([NH3+])c1ccccc1)N(C)C1CC1 ZINC000037080931 176012496 /nfs/dbraw/zinc/01/24/96/176012496.db2.gz UFEQFKMSUZHZAL-GWCFXTLKSA-N 1 0 204.317 2.169 10 0 BEAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCCOCC1 ZINC000061914064 176017470 /nfs/dbraw/zinc/01/74/70/176017470.db2.gz HOBAVPNXSGULHE-NSHDSACASA-N 1 0 220.316 2.052 10 0 BEAERO C[C@@H](c1ccccc1)N1CC[C@@]2(CCC[NH2+]2)C1=O ZINC000095936743 176021192 /nfs/dbraw/zinc/02/11/92/176021192.db2.gz QMWOZZGFRDKLFO-WFASDCNBSA-N 1 0 244.338 2.102 10 0 BEAERO C[C@@H](c1ccccc1Cl)N(C)C1C[NH2+]C1 ZINC000062014455 176023631 /nfs/dbraw/zinc/02/36/31/176023631.db2.gz ISIJGNQHKRCQTK-VIFPVBQESA-N 1 0 224.735 2.305 10 0 BEAERO C[C@H](C[NH3+])N(C)[C@@H](C)c1ccccc1F ZINC000062013137 176024947 /nfs/dbraw/zinc/02/49/47/176024947.db2.gz AXZDNAAXGXMSHR-ZJUUUORDSA-N 1 0 210.296 2.166 10 0 BEAERO C[C@@H](c1ccco1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000082499114 176031576 /nfs/dbraw/zinc/03/15/76/176031576.db2.gz IGMYQWBHGLYEMF-WDEREUQCSA-N 1 0 208.305 2.024 10 0 BEAERO C[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC000022110423 176035380 /nfs/dbraw/zinc/03/53/80/176035380.db2.gz DXAWFDYTCDIDFS-JTQLQIEISA-N 1 0 210.346 2.104 10 0 BEAERO C[C@@H](c1nccs1)N1CCCC[C@@H]1CO ZINC000095089119 176039712 /nfs/dbraw/zinc/03/97/12/176039712.db2.gz CYTHAZKYJTZLCF-VHSXEESVSA-N 1 0 226.345 2.051 10 0 BEAERO C[C@@H](c1nccs1)N1CCCC[C@@H]1C[NH3+] ZINC000083143905 176039757 /nfs/dbraw/zinc/03/97/57/176039757.db2.gz VBJYGKSEGANREG-VHSXEESVSA-N 1 0 225.361 2.017 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@](O)(C[NH2+]C2CC2)C1 ZINC000055029018 176052024 /nfs/dbraw/zinc/05/20/24/176052024.db2.gz MDGBVRHMDOSVQN-ZWNOBZJWSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055121975 176066261 /nfs/dbraw/zinc/06/62/61/176066261.db2.gz CMZKOFNNCLSLPU-AGIUHOORSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(N)c1 ZINC000019775341 176069134 /nfs/dbraw/zinc/06/91/34/176069134.db2.gz FPBPFEWBJQOLJF-LLVKDONJSA-N 1 0 247.342 2.082 10 0 BEAERO C[C@@H]1CCCCN1c1nc2ccccn2c1C[NH3+] ZINC000035433901 176074877 /nfs/dbraw/zinc/07/48/77/176074877.db2.gz VTPFIZHPDZVNHV-LLVKDONJSA-N 1 0 244.342 2.172 10 0 BEAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccco1 ZINC000019258442 176075176 /nfs/dbraw/zinc/07/51/76/176075176.db2.gz UCKUHYFJNRMIHE-MNOVXSKESA-N 1 0 208.305 2.154 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]CCC(=O)NC1CC1 ZINC000054049775 176084065 /nfs/dbraw/zinc/08/40/65/176084065.db2.gz OPNGPKNTOSSWDM-NEPJUHHUSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CCCC[C@H]1CNC(=O)[C@](C)([NH3+])C1CC1 ZINC000042868552 176084285 /nfs/dbraw/zinc/08/42/85/176084285.db2.gz CEGPEHGQGLBMFI-UHIISALHSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1ccncc1 ZINC000036775728 176090428 /nfs/dbraw/zinc/09/04/28/176090428.db2.gz ZZDBJKTZMIKCAJ-UKRRQHHQSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCCC[C@H]1Oc1cccc(C[NH3+])n1 ZINC000051524764 176090442 /nfs/dbraw/zinc/09/04/42/176090442.db2.gz CPQYWYKPDVWPQP-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCC[C@]1([NH2+]C1CCCCC1)C(N)=O ZINC000037969650 176091096 /nfs/dbraw/zinc/09/10/96/176091096.db2.gz CDEBYQLQZCLGQR-BXUZGUMPSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[NH2+]C2CCCC2)[C@@H]1C ZINC000050565601 176092189 /nfs/dbraw/zinc/09/21/89/176092189.db2.gz RHRPSMKWLPPOLZ-VXGBXAGGSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CCC[N@@H+](C2(CN)CCSCC2)[C@@H]1C ZINC000050563850 176097158 /nfs/dbraw/zinc/09/71/58/176097158.db2.gz GCDLMLISRCZMQU-VXGBXAGGSA-N 1 0 242.432 2.331 10 0 BEAERO C[C@@H]1CCC[N@H+](CCNCc2cccnc2)[C@@H]1C ZINC000053387016 176098878 /nfs/dbraw/zinc/09/88/78/176098878.db2.gz AOARHJQCXCWWKB-ZIAGYGMSSA-N 1 0 247.386 2.292 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(N)c2)[C@@H]1C ZINC000051327260 176099670 /nfs/dbraw/zinc/09/96/70/176099670.db2.gz KITZCGZNKLGURS-JMSVASOKSA-N 1 0 248.370 2.423 10 0 BEAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022170221 176102628 /nfs/dbraw/zinc/10/26/28/176102628.db2.gz WMISBQCFSAKGPZ-PWSUYJOCSA-N 1 0 224.373 2.480 10 0 BEAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccccn2)[C@@H]1C ZINC000050563370 176103631 /nfs/dbraw/zinc/10/36/31/176103631.db2.gz RQQXXCADADSYNI-BZPMIXESSA-N 1 0 233.359 2.202 10 0 BEAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccco2)C1 ZINC000019260603 176103719 /nfs/dbraw/zinc/10/37/19/176103719.db2.gz JWZRFLWLNUNIKK-MNOVXSKESA-N 1 0 208.305 2.011 10 0 BEAERO C[C@@H]1CCCN(c2ncc(C[NH3+])s2)[C@@H]1C ZINC000054896207 176104128 /nfs/dbraw/zinc/10/41/28/176104128.db2.gz BPCPRHXBCPIKIE-RKDXNWHRSA-N 1 0 225.361 2.227 10 0 BEAERO C[C@@H]1CCCN(c2nc3ccccc3o2)[C@@H]1C[NH3+] ZINC000070178617 176104545 /nfs/dbraw/zinc/10/45/45/176104545.db2.gz BNPOBRLEYCJVSA-ZYHUDNBSSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@@H]1CCC[N@@H+]1CCOc1ccccc1N ZINC000037909947 176107910 /nfs/dbraw/zinc/10/79/10/176107910.db2.gz KTXPSTGWPMTWSK-LLVKDONJSA-N 1 0 220.316 2.132 10 0 BEAERO C[C@@H]1CCCN1c1cc(C[NH2+]C2CC2)ccn1 ZINC000051398804 176111844 /nfs/dbraw/zinc/11/18/44/176111844.db2.gz HRZMRQLSYBXPCE-LLVKDONJSA-N 1 0 231.343 2.322 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)NC2CCCCCC2)[NH2+]1 ZINC000037390421 176112343 /nfs/dbraw/zinc/11/23/43/176112343.db2.gz VXAVNDLLJOGWCD-YPMHNXCESA-N 1 0 238.375 2.356 10 0 BEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NCCC1CCCC1 ZINC000051793133 176112560 /nfs/dbraw/zinc/11/25/60/176112560.db2.gz UBUZOZJUSIOHCM-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000042494810 176119949 /nfs/dbraw/zinc/11/99/49/176119949.db2.gz AJKCBCMNYSOEAS-UPJWGTAASA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CCn2ccc(=O)cc2)C1 ZINC000061628619 176123437 /nfs/dbraw/zinc/12/34/37/176123437.db2.gz QXGQLPAAUNKHTP-CHWSQXEVSA-N 1 0 234.343 2.017 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H]1C ZINC000019963321 176123649 /nfs/dbraw/zinc/12/36/49/176123649.db2.gz XCORLMDZPNHIQZ-FVCCEPFGSA-N 1 0 211.349 2.437 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CN3CCC2CC3)C1 ZINC000019946234 176124142 /nfs/dbraw/zinc/12/41/42/176124142.db2.gz QKXDVYJIQBTSKB-MRVWCRGKSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000071211857 176130014 /nfs/dbraw/zinc/13/00/14/176130014.db2.gz UVQZVTPCZFYPFC-KVSVUVNWSA-N 1 0 238.375 2.055 10 0 BEAERO C[C@@H]1CCC[C@@](CO)(Nc2cc[nH+]cc2N)C1 ZINC000053114683 176133449 /nfs/dbraw/zinc/13/34/49/176133449.db2.gz HEIKEODPEMCKAP-ZWNOBZJWSA-N 1 0 235.331 2.017 10 0 BEAERO C[C@@H]1CCC[C@@](O)(C[NH2+]C2CCCC2)C1 ZINC000055030907 176134204 /nfs/dbraw/zinc/13/42/04/176134204.db2.gz SFABRULZXUBJGX-YPMHNXCESA-N 1 0 211.349 2.460 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)N(C)CC(C)(C)C)[NH2+]1 ZINC000045089368 176134666 /nfs/dbraw/zinc/13/46/66/176134666.db2.gz RCPOBHHSQXJQLY-GHMZBOCLSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)NC2CCCCCC2)[NH2+]1 ZINC000037390417 176135557 /nfs/dbraw/zinc/13/55/57/176135557.db2.gz VXAVNDLLJOGWCD-DGCLKSJQSA-N 1 0 238.375 2.356 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)Nc2cccc(F)c2)[NH2+]1 ZINC000019431493 176136753 /nfs/dbraw/zinc/13/67/53/176136753.db2.gz AXBDMGYMFZZUTQ-BXKDBHETSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@@H]1CCC[C@H](CNC(=O)CC(C)(C)C)[NH2+]1 ZINC000051572883 176138647 /nfs/dbraw/zinc/13/86/47/176138647.db2.gz VAKBVCPUXSHNFR-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000309496861 176139234 /nfs/dbraw/zinc/13/92/34/176139234.db2.gz UAXCEWYSUYNKGI-ITGHMWBKSA-N 1 0 223.360 2.295 10 0 BEAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccc2c(c1)OCCO2 ZINC000077417492 176152125 /nfs/dbraw/zinc/15/21/25/176152125.db2.gz SZXGZEORLPMDJW-IAQYHMDHSA-N 1 0 247.338 2.474 10 0 BEAERO C[C@@H]1CCC[C@](CO)(Nc2cc[nH+]cc2)C1 ZINC000053110374 176152131 /nfs/dbraw/zinc/15/21/31/176152131.db2.gz SYVICCFXOABPEZ-YPMHNXCESA-N 1 0 220.316 2.435 10 0 BEAERO C[C@@H]1CCCc2sc(CCC[NH3+])nc21 ZINC000083346384 176154162 /nfs/dbraw/zinc/15/41/62/176154162.db2.gz WMCFFDSCVUATCE-MRVPVSSYSA-N 1 0 210.346 2.474 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc32)[C@@H]1CO ZINC000287724004 176174172 /nfs/dbraw/zinc/17/41/72/176174172.db2.gz KHADEKRYMCBJTB-UXIGCNINSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@@H]1CCN(Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000235340089 176178181 /nfs/dbraw/zinc/17/81/81/176178181.db2.gz WUUKSFPUNMSPMU-ZYHUDNBSSA-N 1 0 224.373 2.307 10 0 BEAERO C[C@@H]1CCN(c2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000061122270 176180643 /nfs/dbraw/zinc/18/06/43/176180643.db2.gz MGNAISUYLOMLHW-MRVPVSSYSA-N 1 0 244.260 2.292 10 0 BEAERO C[C@@H]1CC[NH2+]CCN1Cc1ccc(F)cc1 ZINC000062611105 176185351 /nfs/dbraw/zinc/18/53/51/176185351.db2.gz CCDGZKINIHVQSJ-LLVKDONJSA-N 1 0 222.307 2.010 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncc(Cl)cc1F ZINC000335657207 176185964 /nfs/dbraw/zinc/18/59/64/176185964.db2.gz OIXLFBVYFHDXLP-GMSGAONNSA-N 1 0 243.713 2.284 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](N(C)Cc2cccnc2)C1 ZINC000036771147 176228447 /nfs/dbraw/zinc/22/84/47/176228447.db2.gz CKBBWFSSXCPBRV-KWCYVHTRSA-N 1 0 233.359 2.029 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC1CCCC1 ZINC000055127036 176229306 /nfs/dbraw/zinc/22/93/06/176229306.db2.gz AHIFRQFEYCAMHH-WXHSDQCUSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]CCCn2ccnn2)[C@H](C)C1 ZINC000126465643 176232678 /nfs/dbraw/zinc/23/26/78/176232678.db2.gz YMIHSZMQWNSPGE-UPJWGTAASA-N 1 0 236.363 2.083 10 0 BEAERO C[C@H](CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)C(C)(C)C ZINC000070076315 176247387 /nfs/dbraw/zinc/24/73/87/176247387.db2.gz WDIXRAPXDIIKIX-IJLUTSLNSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000358003022 176274579 /nfs/dbraw/zinc/27/45/79/176274579.db2.gz IFQGRSBOCQIAND-UGFHNGPFSA-N 1 0 230.355 2.214 10 0 BEAERO C[C@@H]1C[N@H+](C2CCCCC2)C(C)(C)CN1 ZINC000062570344 176283469 /nfs/dbraw/zinc/28/34/69/176283469.db2.gz QBUZAVWNLBPPHB-LLVKDONJSA-N 1 0 210.365 2.391 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)CCC1=O ZINC000251861442 176299694 /nfs/dbraw/zinc/29/96/94/176299694.db2.gz SNAVTYDAIZRQPY-DGCLKSJQSA-N 1 0 229.323 2.237 10 0 BEAERO C[C@@H]1CCCC[C@@]1(CN)[N@@H+]1CCCO[C@H](C)C1 ZINC000061916239 176318623 /nfs/dbraw/zinc/31/86/23/176318623.db2.gz OJTCOTWJVZVHCU-MCIONIFRSA-N 1 0 240.391 2.005 10 0 BEAERO C[C@@H]1CN(c2ccncc2Cl)C[C@@]1(C)C[NH3+] ZINC000309223839 176319775 /nfs/dbraw/zinc/31/97/75/176319775.db2.gz ZLOHPMIWPJKTBR-BXKDBHETSA-N 1 0 239.750 2.156 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(O)c1 ZINC000156077300 176322533 /nfs/dbraw/zinc/32/25/33/176322533.db2.gz UKDKJLAHJWLIGH-TZMCWYRMSA-N 1 0 246.354 2.061 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1 ZINC000083550967 176322724 /nfs/dbraw/zinc/32/27/24/176322724.db2.gz ISEDLVKAXBTSJT-UKRRQHHQSA-N 1 0 230.355 2.355 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1 ZINC000083550723 176323334 /nfs/dbraw/zinc/32/33/34/176323334.db2.gz WHGZXGFIICZOAB-IUODEOHRSA-N 1 0 248.345 2.494 10 0 BEAERO C[C@@H]1CNC(C)(C)C[N@@H+]1C1CCCCC1 ZINC000041225121 176324589 /nfs/dbraw/zinc/32/45/89/176324589.db2.gz NIJVLEXSFYYLLB-LLVKDONJSA-N 1 0 210.365 2.391 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(Cc2ccc(F)cc2)C1 ZINC000049665266 176324847 /nfs/dbraw/zinc/32/48/47/176324847.db2.gz IIVRWRNDPQRXJJ-GFCCVEGCSA-N 1 0 236.334 2.257 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1nsc2ccccc21 ZINC000095069591 176327897 /nfs/dbraw/zinc/32/78/97/176327897.db2.gz DXHYIDKSQVTYLE-SECBINFHSA-N 1 0 233.340 2.094 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](C)N1CCCc1ccccc1 ZINC000019801303 176328680 /nfs/dbraw/zinc/32/86/80/176328680.db2.gz QSKCRZDQFVKMFM-ZIAGYGMSSA-N 1 0 232.371 2.301 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2c(F)cccc2F)O1 ZINC000036673308 176329190 /nfs/dbraw/zinc/32/91/90/176329190.db2.gz FGNSIBYOQDJJOR-XCBNKYQSSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000104213263 176329543 /nfs/dbraw/zinc/32/95/43/176329543.db2.gz LYEOSURBGWKXKR-DGCLKSJQSA-N 1 0 236.334 2.113 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000083101800 176329771 /nfs/dbraw/zinc/32/97/71/176329771.db2.gz TXUHHDWJFTYALO-CMPLNLGQSA-N 1 0 233.311 2.171 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc2c(cccc2F)n1C ZINC000104225397 176329834 /nfs/dbraw/zinc/32/98/34/176329834.db2.gz XBPQIQVDYRITLX-RKDXNWHRSA-N 1 0 233.290 2.035 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1c1nnc(C2CCCCC2)[nH]1 ZINC000104211222 176330240 /nfs/dbraw/zinc/33/02/40/176330240.db2.gz ABVMFGAMMKOXRE-MWLCHTKSSA-N 1 0 234.347 2.175 10 0 BEAERO C[C@@H]1COC[C@H](CCc2ccccc2F)[NH2+]1 ZINC000071524994 176346782 /nfs/dbraw/zinc/34/67/82/176346782.db2.gz SJJYQOSMMAKIBA-PWSUYJOCSA-N 1 0 223.291 2.135 10 0 BEAERO C[C@@H]1COC[C@@H](CCc2ccccc2F)[NH2+]1 ZINC000071524996 176347347 /nfs/dbraw/zinc/34/73/47/176347347.db2.gz SJJYQOSMMAKIBA-ZYHUDNBSSA-N 1 0 223.291 2.135 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284215353 176405513 /nfs/dbraw/zinc/40/55/13/176405513.db2.gz CLOVHIIRWIGOPW-KOLCDFICSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@@H]1C[C@H](OC(=O)CC[NH3+])CC(C)(C)C1 ZINC000040410903 176429621 /nfs/dbraw/zinc/42/96/21/176429621.db2.gz ZNYPJDHEAFFIRF-ZJUUUORDSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000373761743 176446160 /nfs/dbraw/zinc/44/61/60/176446160.db2.gz BDMKLINPBUUTOF-CQLXCSJHSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@H]1O ZINC000251160144 176642217 /nfs/dbraw/zinc/64/22/17/176642217.db2.gz ZQDCBOYJWKRLGQ-KGYLQXTDSA-N 1 0 223.316 2.104 10 0 BEAERO C[C@H](N(C)CC[NH2+]C[C@@H]1CCCO1)C(C)(C)C ZINC000053390888 176745200 /nfs/dbraw/zinc/74/52/00/176745200.db2.gz FCZHTCPMVYFESE-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO C[C@H](N(C)c1cc(C(N)=[NH2+])ccn1)C(C)(C)C ZINC000042767329 176745256 /nfs/dbraw/zinc/74/52/56/176745256.db2.gz CPFHISBWXFGFFA-VIFPVBQESA-N 1 0 234.347 2.236 10 0 BEAERO C[C@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1F ZINC000037476194 176756552 /nfs/dbraw/zinc/75/65/52/176756552.db2.gz GGDZSLUKZFSYJI-LURJTMIESA-N 1 0 230.670 2.155 10 0 BEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000040852386 176756924 /nfs/dbraw/zinc/75/69/24/176756924.db2.gz XXLOUANSXKGHQO-DTWKUNHWSA-N 1 0 240.734 2.255 10 0 BEAERO C[C@H]([NH3+])CCNc1ccnc(C(F)(F)F)c1 ZINC000304260299 176759914 /nfs/dbraw/zinc/75/99/14/176759914.db2.gz IYHPUAVUUAJEFE-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO C[C@H]([NH3+])[C@@H](Sc1ncccn1)C(C)(C)C ZINC000043297644 176765119 /nfs/dbraw/zinc/76/51/19/176765119.db2.gz DTCCJCILBBOLAF-DTWKUNHWSA-N 1 0 225.361 2.331 10 0 BEAERO C[C@H]([NH3+])[C@H](c1cccs1)N1CCSCC1 ZINC000043103077 176772541 /nfs/dbraw/zinc/77/25/41/176772541.db2.gz ZQCTWFOFAFRJNG-GXSJLCMTSA-N 1 0 242.413 2.185 10 0 BEAERO C[C@H](NC(=[NH2+])NC1CCCC1)c1ccncc1 ZINC000052047170 176784059 /nfs/dbraw/zinc/78/40/59/176784059.db2.gz BEKIQICZAPCAHU-JTQLQIEISA-N 1 0 232.331 2.199 10 0 BEAERO C[C@H]([NH2+][C@@H](C)C1CC1)C(=O)NC1CCCCC1 ZINC000035140165 176886616 /nfs/dbraw/zinc/88/66/16/176886616.db2.gz FVOSCAINWVQLHQ-QWRGUYRKSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000128687772 176912259 /nfs/dbraw/zinc/91/22/59/176912259.db2.gz JUOIJOCNBGFOMW-TUAOUCFPSA-N 1 0 207.317 2.354 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc2ccccc2c1 ZINC000035138724 176913717 /nfs/dbraw/zinc/91/37/17/176913717.db2.gz KYZODSVXKZPITE-MNOVXSKESA-N 1 0 242.322 2.364 10 0 BEAERO C[C@H](OCCC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068640 177021285 /nfs/dbraw/zinc/02/12/85/177021285.db2.gz NPBBNFWQRANISR-STQMWFEESA-N 1 0 249.358 2.477 10 0 BEAERO C[C@H](OCC[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068590 177021286 /nfs/dbraw/zinc/02/12/86/177021286.db2.gz SXTVTPRCXKXUBC-NWDGAFQWSA-N 1 0 222.332 2.482 10 0 BEAERO C[C@H](OCCC[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068664 177021324 /nfs/dbraw/zinc/02/13/24/177021324.db2.gz KYXOMBJKPUAZNJ-STQMWFEESA-N 1 0 249.358 2.334 10 0 BEAERO C[C@H]([C@H]([NH3+])c1ccccc1)n1cccn1 ZINC000023069474 177030636 /nfs/dbraw/zinc/03/06/36/177030636.db2.gz QXCGMKHNKONLCC-PWSUYJOCSA-N 1 0 201.273 2.144 10 0 BEAERO C[C@H](c1ccc(Cl)s1)N1CC[C@H]([NH3+])C1 ZINC000042590099 177033060 /nfs/dbraw/zinc/03/30/60/177033060.db2.gz NBFJEOMLQOIECA-SFYZADRCSA-N 1 0 230.764 2.496 10 0 BEAERO C[C@H](c1ccc(Cl)s1)N(C)CC[NH3+] ZINC000054417052 177033346 /nfs/dbraw/zinc/03/33/46/177033346.db2.gz CLOVLCPCKMMUFG-SSDOTTSWSA-N 1 0 218.753 2.353 10 0 BEAERO C[C@H](c1ccc(Cl)cc1)N(C)C1C[NH2+]C1 ZINC000062014420 177033566 /nfs/dbraw/zinc/03/35/66/177033566.db2.gz UHRYNAYPCYETGA-SECBINFHSA-N 1 0 224.735 2.305 10 0 BEAERO C[C@H](c1ccc(N)cc1)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053205339 177033817 /nfs/dbraw/zinc/03/38/17/177033817.db2.gz CNHSAXHCTSNJRY-IUODEOHRSA-N 1 0 247.386 2.356 10 0 BEAERO C[C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000095829960 177039969 /nfs/dbraw/zinc/03/99/69/177039969.db2.gz BYDOZJQQICNGSG-KWCYVHTRSA-N 1 0 216.328 2.041 10 0 BEAERO C[C@H](c1ccccc1)N1CC[NH2+]CC1(C)C ZINC000062609003 177040471 /nfs/dbraw/zinc/04/04/71/177040471.db2.gz UVFVBCRRSVPGIZ-GFCCVEGCSA-N 1 0 218.344 2.431 10 0 BEAERO C[C@H](c1cccnc1)n1c(N)[nH+]c2ccccc21 ZINC000035692425 177046263 /nfs/dbraw/zinc/04/62/63/177046263.db2.gz TXUHLAZGIXSXCM-SNVBAGLBSA-N 1 0 238.294 2.453 10 0 BEAERO C[C@H](c1ccco1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068203 177046923 /nfs/dbraw/zinc/04/69/23/177046923.db2.gz WGSUSMLEWQYMSA-NEPJUHHUSA-N 1 0 222.332 2.415 10 0 BEAERO C[C@H](c1cccs1)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037497972 177049443 /nfs/dbraw/zinc/04/94/43/177049443.db2.gz NZELCDSJYFVKKV-ZJUUUORDSA-N 1 0 238.356 2.020 10 0 BEAERO C[C@H](c1ccsc1)N1CCC([NH3+])CC1 ZINC000050345147 177051049 /nfs/dbraw/zinc/05/10/49/177051049.db2.gz MZFDMNZYYRCSSQ-SECBINFHSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC000050345197 177051300 /nfs/dbraw/zinc/05/13/00/177051300.db2.gz MAOQDTVHBUZJAM-KOLCDFICSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@H](c1nccs1)N1CCCC[C@@H]1C[NH3+] ZINC000083143906 177054779 /nfs/dbraw/zinc/05/47/79/177054779.db2.gz VBJYGKSEGANREG-NXEZZACHSA-N 1 0 225.361 2.017 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@]([NH2+]CC2CC2)(C(N)=O)C1 ZINC000037947024 177063614 /nfs/dbraw/zinc/06/36/14/177063614.db2.gz NAROAVTZINAWIM-IINYFYTJSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@H]1CCCC[N@@H+]1[C@@H](CN)C1CCCC1 ZINC000050272030 177078574 /nfs/dbraw/zinc/07/85/74/177078574.db2.gz YFNZHVCWNYYCPO-AAEUAGOBSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC000042862734 177085952 /nfs/dbraw/zinc/08/59/52/177085952.db2.gz QMZPKKFGUZAEBQ-STQMWFEESA-N 1 0 238.375 2.025 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037490848 177088797 /nfs/dbraw/zinc/08/87/97/177088797.db2.gz WPWNYIQXBGKSKO-LOWDOPEQSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000020052545 177089165 /nfs/dbraw/zinc/08/91/65/177089165.db2.gz LCCRCIDABACCJV-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H]1CCCC[C@]1([NH3+])C(=O)OC1CCCC1 ZINC000041038377 177090718 /nfs/dbraw/zinc/09/07/18/177090718.db2.gz VULPFLCAHVPPSV-GXFFZTMASA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000050565354 177094082 /nfs/dbraw/zinc/09/40/82/177094082.db2.gz IHSZQBSSNUDUQO-OUCADQQQSA-N 1 0 246.354 2.333 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[N@H+]1C1(CN)CCSCC1 ZINC000050563851 177096396 /nfs/dbraw/zinc/09/63/96/177096396.db2.gz GCDLMLISRCZMQU-NWDGAFQWSA-N 1 0 242.432 2.331 10 0 BEAERO C[C@H]1CCC[N@H+](CC2(CO)CCCC2)C1 ZINC000049815052 177096435 /nfs/dbraw/zinc/09/64/35/177096435.db2.gz RKBLYSAHONZACW-LBPRGKRZSA-N 1 0 211.349 2.271 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccoc1CN ZINC000052373331 177101135 /nfs/dbraw/zinc/10/11/35/177101135.db2.gz YFYSRECPIKLZJG-WDEREUQCSA-N 1 0 222.332 2.359 10 0 BEAERO C[C@H]1CCCN(c2nc3ccccc3[nH]2)[C@@H]1C[NH3+] ZINC000070178400 177105278 /nfs/dbraw/zinc/10/52/78/177105278.db2.gz YJXVADPGWPLQJA-GXFFZTMASA-N 1 0 244.342 2.127 10 0 BEAERO C[C@H]1CCC[N@@H+]1C[C@@H]1CNc2ccccc2O1 ZINC000037911165 177109314 /nfs/dbraw/zinc/10/93/14/177109314.db2.gz SERLZEHKVANYPG-RYUDHWBXSA-N 1 0 232.327 2.344 10 0 BEAERO C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000037910296 177111654 /nfs/dbraw/zinc/11/16/54/177111654.db2.gz ULCUJAXFFDEHGY-ZANVPECISA-N 1 0 240.297 2.449 10 0 BEAERO C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)CCC[C@@H]1C ZINC000019413399 177122076 /nfs/dbraw/zinc/12/20/76/177122076.db2.gz ACNUPMPSFVQKQM-LOWDOPEQSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)N2CCCCCC2)[C@@H]1[NH3+] ZINC000055122677 177129258 /nfs/dbraw/zinc/12/92/58/177129258.db2.gz BUWICWUMBDGGPM-RWMBFGLXSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccnc1N ZINC000052717084 177132694 /nfs/dbraw/zinc/13/26/94/177132694.db2.gz YOFKIBUSDNTFSW-QWRGUYRKSA-N 1 0 219.332 2.427 10 0 BEAERO C[C@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000042494808 177134398 /nfs/dbraw/zinc/13/43/98/177134398.db2.gz AJKCBCMNYSOEAS-AVGNSLFASA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000037611956 177135509 /nfs/dbraw/zinc/13/55/09/177135509.db2.gz BCZOHODAVDOWBT-LOWVWBTDSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000020055135 177136785 /nfs/dbraw/zinc/13/67/85/177136785.db2.gz FXFPBXHFZDMTOV-TUAOUCFPSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+][C@@H]1CCCCNC1=O ZINC000020055434 177137334 /nfs/dbraw/zinc/13/73/34/177137334.db2.gz NMJBNRZAZWJMTK-QNWHQSFQSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CCC[C@](C[NH3+])(N(C)Cc2ccncc2)C1 ZINC000036775760 177143847 /nfs/dbraw/zinc/14/38/47/177143847.db2.gz FNNJJMGKKIYDQR-ZFWWWQNUSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCN(Cc2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049666581 177164952 /nfs/dbraw/zinc/16/49/52/177164952.db2.gz GGPYYMYQGKLHLD-STQMWFEESA-N 1 0 233.359 2.044 10 0 BEAERO C[C@H]1CCN(c2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000061122271 177170761 /nfs/dbraw/zinc/17/07/61/177170761.db2.gz MGNAISUYLOMLHW-QMMMGPOBSA-N 1 0 244.260 2.292 10 0 BEAERO C[C@H]1CCN(c2ccc(Cl)c(C[NH3+])n2)C1 ZINC000051397175 177170767 /nfs/dbraw/zinc/17/07/67/177170767.db2.gz NXAWGVXKRBNFQA-QMMMGPOBSA-N 1 0 225.723 2.040 10 0 BEAERO C[C@H]1CCN(c2cccnc2)CC[C@H](C)[NH2+]1 ZINC000049662986 177171835 /nfs/dbraw/zinc/17/18/35/177171835.db2.gz BHTGWGMOUCNGRJ-RYUDHWBXSA-N 1 0 219.332 2.048 10 0 BEAERO C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000104436955 177174557 /nfs/dbraw/zinc/17/45/57/177174557.db2.gz ADKURJMFOWIJOR-TUAOUCFPSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1nccc2occc21 ZINC000333074381 177174741 /nfs/dbraw/zinc/17/47/41/177174741.db2.gz DEKBSUJTVVGANV-ONGXEEELSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1nc2ccccc2o1 ZINC000335656460 177175648 /nfs/dbraw/zinc/17/56/48/177175648.db2.gz ILJFMUZQDUUWQW-GXSJLCMTSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@H]1CC[NH2+][C@@H]1c1ccc2c(c1)OCCO2 ZINC000082366488 177175777 /nfs/dbraw/zinc/17/57/77/177175777.db2.gz OYTQCNBPZYHZAU-ZANVPECISA-N 1 0 219.284 2.128 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)NCC2(C)CCCC2)C[NH2+]1 ZINC000104430851 177180877 /nfs/dbraw/zinc/18/08/77/177180877.db2.gz IXUVSPVZRLBZPX-NWDGAFQWSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[C@@H]([NH3+])[C@H](C)N1Cc1ccccc1 ZINC000068593077 177191114 /nfs/dbraw/zinc/19/11/14/177191114.db2.gz ULXWOSFIBHNQLH-SGMGOOAPSA-N 1 0 218.344 2.387 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000118565985 177206085 /nfs/dbraw/zinc/20/60/85/177206085.db2.gz YUFLNFVILZVKBO-AAEUAGOBSA-N 1 0 205.301 2.032 10 0 BEAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH+](C)C ZINC000073654818 177222570 /nfs/dbraw/zinc/22/25/70/177222570.db2.gz QJNAZWOBMLIBOB-QWRGUYRKSA-N 1 0 242.363 2.194 10 0 BEAERO C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C(C)(C)C1 ZINC000368554663 177222706 /nfs/dbraw/zinc/22/27/06/177222706.db2.gz DEHILJNMYMHLJS-IJLUTSLNSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@H]1CN(Cc2ccccc2)C[C@H]([NH3+])[C@@H]1C ZINC000068592933 177266252 /nfs/dbraw/zinc/26/62/52/177266252.db2.gz NMWRIHNNQCIKCJ-SCRDCRAPSA-N 1 0 218.344 2.102 10 0 BEAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCO[C@@H](C)C1 ZINC000040908710 177274142 /nfs/dbraw/zinc/27/41/42/177274142.db2.gz QTNDERFUPVUYJB-QWRGUYRKSA-N 1 0 220.316 2.051 10 0 BEAERO C[C@@H]([C@H]([NH3+])c1ccccc1)N1CCCO[C@@H](C)C1 ZINC000061917122 177274213 /nfs/dbraw/zinc/27/42/13/177274213.db2.gz QSMOEICWLFGWGP-YDHLFZDLSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@H]1CN([C@@]2(C[NH3+])CCCC[C@@H]2C)[C@@H](C)CO1 ZINC000035783517 177275682 /nfs/dbraw/zinc/27/56/82/177275682.db2.gz ZRCYPUBLUWLPAR-XDQVBPFNSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1CN(c2ccc(Cl)cc2)[NH+]=C1N ZINC000034592822 177276975 /nfs/dbraw/zinc/27/69/75/177276975.db2.gz DKGDVRCBCBXYMF-ZETCQYMHSA-N 1 0 209.680 2.068 10 0 BEAERO C[C@@H]([NH3+])Cc1ccc(N2CCCO[C@@H](C)C2)cc1 ZINC000104265614 177277421 /nfs/dbraw/zinc/27/74/21/177277421.db2.gz NCGAEGBAMRXEFD-OLZOCXBDSA-N 1 0 248.370 2.192 10 0 BEAERO C[C@H]1CN(c2nsc3ccccc32)CC[NH2+]1 ZINC000095069526 177279411 /nfs/dbraw/zinc/27/94/11/177279411.db2.gz NDERLKDXZKSKEP-VIFPVBQESA-N 1 0 233.340 2.094 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCCC1 ZINC000082699267 177279887 /nfs/dbraw/zinc/27/98/87/177279887.db2.gz LTEQZTJVWQWMJF-GXTWGEPZSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2ccccc2)C1 ZINC000049665060 177282077 /nfs/dbraw/zinc/28/20/77/177282077.db2.gz RRQZFLUIRKKFAL-LBPRGKRZSA-N 1 0 204.317 2.122 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1nsc2ccccc21 ZINC000095069592 177284996 /nfs/dbraw/zinc/28/49/96/177284996.db2.gz DXHYIDKSQVTYLE-VIFPVBQESA-N 1 0 233.340 2.094 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](C)CN(c2ccccc2)C1 ZINC000049665063 177285687 /nfs/dbraw/zinc/28/56/87/177285687.db2.gz URGHKSYFEMAHOV-STQMWFEESA-N 1 0 218.344 2.368 10 0 BEAERO C[C@H]1COC[C@H](C)N1Cc1ccccc1F ZINC000120787893 177300075 /nfs/dbraw/zinc/30/00/75/177300075.db2.gz CWYXYNPXYBMQKA-QWRGUYRKSA-N 1 0 223.291 2.435 10 0 BEAERO C[C@@H](NC1=[NH+][C@@H](C)CS1)c1ccncc1 ZINC000035694044 177303226 /nfs/dbraw/zinc/30/32/26/177303226.db2.gz ICTQUUFKUWJGBW-DTWKUNHWSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000133375103 177318824 /nfs/dbraw/zinc/31/88/24/177318824.db2.gz AICVPMAFWPKVIZ-WDEREUQCSA-N 1 0 232.327 2.016 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]CC2(C)CCC2)CN1C1CC1 ZINC000120416387 177330625 /nfs/dbraw/zinc/33/06/25/177330625.db2.gz GUFYQJIFEHJQSN-NWDGAFQWSA-N 1 0 222.376 2.391 10 0 BEAERO C[C@H]1C[C@@H]1CN(C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428401 177342618 /nfs/dbraw/zinc/34/26/18/177342618.db2.gz XLUXKQHBEPTBAB-WDMOLILDSA-N 1 0 236.334 2.413 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000052272755 177349614 /nfs/dbraw/zinc/34/96/14/177349614.db2.gz RNOUNNWBIASXJT-CFVMTHIKSA-N 1 0 230.355 2.259 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000052287799 177349777 /nfs/dbraw/zinc/34/97/77/177349777.db2.gz UFUQKNCLTVSVDB-KWQFWETISA-N 1 0 238.718 2.277 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000096543937 177349931 /nfs/dbraw/zinc/34/99/31/177349931.db2.gz SIIUOEUBYMJLQG-KWQFWETISA-N 1 0 235.718 2.486 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cnccn1 ZINC000280931733 177363143 /nfs/dbraw/zinc/36/31/43/177363143.db2.gz DXGGQYBLTRSNFY-RNJOBUHISA-N 1 0 249.358 2.331 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccn2)C[C@H](C)O1 ZINC000282238897 177363458 /nfs/dbraw/zinc/36/34/58/177363458.db2.gz NWJXUHJDNMNRQV-CLLJXQQHSA-N 1 0 234.343 2.375 10 0 BEAERO C[C@H]1C[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000075958457 177384463 /nfs/dbraw/zinc/38/44/63/177384463.db2.gz YBAZPPUSQPOERJ-GXFFZTMASA-N 1 0 247.342 2.278 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000052273116 177385366 /nfs/dbraw/zinc/38/53/66/177385366.db2.gz GKVAQVAGGZXXBM-CMPLNLGQSA-N 1 0 233.311 2.346 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000061641161 177385398 /nfs/dbraw/zinc/38/53/98/177385398.db2.gz SMFBZHDZLMMMDZ-SMDDNHRTSA-N 1 0 227.311 2.370 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000052287804 177385468 /nfs/dbraw/zinc/38/54/68/177385468.db2.gz UFUQKNCLTVSVDB-GZMMTYOYSA-N 1 0 238.718 2.277 10 0 BEAERO C[C@H]1Cc2ccccc2N1CCCC(N)=[NH2+] ZINC000019519012 177390584 /nfs/dbraw/zinc/39/05/84/177390584.db2.gz BWSXMEISIAFDPY-JTQLQIEISA-N 1 0 217.316 2.154 10 0 BEAERO C[C@](CN)(C1CC1)[NH+]1CCCCCCC1 ZINC000035659517 177441913 /nfs/dbraw/zinc/44/19/13/177441913.db2.gz QYJDAJGNMPPIIZ-ZDUSSCGKSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@]1(CN2CCc3ccccc32)CC[NH2+]C1 ZINC000062910913 177460684 /nfs/dbraw/zinc/46/06/84/177460684.db2.gz FHSRJBIIPWQZGY-AWEZNQCLSA-N 1 0 216.328 2.049 10 0 BEAERO C[C@]1(c2nncn2C2CCCCC2)CCC[NH2+]C1 ZINC000062872804 177481926 /nfs/dbraw/zinc/48/19/26/177481926.db2.gz KCSBNGSQUGQPMH-AWEZNQCLSA-N 1 0 248.374 2.424 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000232723115 487642108 /nfs/dbraw/zinc/64/21/08/487642108.db2.gz VVZKNUQXLGBMJR-FRRDWIJNSA-N 1 0 240.391 2.445 10 0 BEAERO CC1(C)C[N@H+](C[C@H]2CCC[C@H](O)C2)CCCO1 ZINC000383578740 487642451 /nfs/dbraw/zinc/64/24/51/487642451.db2.gz DSNWQGRCGGIIJL-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO CCc1nnc(C[N@H+](CC(C)C)C(C)C)n1C ZINC000195067550 224898342 /nfs/dbraw/zinc/89/83/42/224898342.db2.gz WZIOHQMTQQENTF-UHFFFAOYSA-N 1 0 238.379 2.244 10 0 BEAERO CO[C@H](C[N@@H+]1C[C@H](C)C[C@H](O)C1)c1ccccc1 ZINC000401569612 225170416 /nfs/dbraw/zinc/17/04/16/225170416.db2.gz DDZQCPAGGSKPIJ-VHDGCEQUSA-N 1 0 249.354 2.077 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CCCOc2ccccc2)C1 ZINC000401594901 226359876 /nfs/dbraw/zinc/35/98/76/226359876.db2.gz UUIZJSDWVOSHOQ-KBPBESRZSA-N 1 0 249.354 2.158 10 0 BEAERO C[C@H]1C[C@@H](O)C[N@H+](CCCOc2ccccc2)C1 ZINC000401594905 226359882 /nfs/dbraw/zinc/35/98/82/226359882.db2.gz UUIZJSDWVOSHOQ-UONOGXRCSA-N 1 0 249.354 2.158 10 0 BEAERO COC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccc1 ZINC000300089265 226365830 /nfs/dbraw/zinc/36/58/30/226365830.db2.gz LSIGJSDCRALXRM-RBSFLKMASA-N 1 0 249.354 2.267 10 0 BEAERO CC[C@H](NC(=O)CCCC[NH3+])c1ccccc1 ZINC000070203662 487668134 /nfs/dbraw/zinc/66/81/34/487668134.db2.gz NRTHKOMQFVAIML-ZDUSSCGKSA-N 1 0 234.343 2.383 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000054076395 487683156 /nfs/dbraw/zinc/68/31/56/487683156.db2.gz ABADRQMBLOWTKL-DTWKUNHWSA-N 1 0 240.734 2.125 10 0 BEAERO CC[C@H](NC(=O)[C@@H](C)[NH2+]C)C1CCCCC1 ZINC000054076995 487684395 /nfs/dbraw/zinc/68/43/95/487684395.db2.gz VSVPGJYPVKQFDW-PWSUYJOCSA-N 1 0 226.364 2.069 10 0 BEAERO COc1ccc(C[NH2+][C@H]2C[C@@H]2C)c(F)c1 ZINC000228597713 487685005 /nfs/dbraw/zinc/68/50/05/487685005.db2.gz RAQCCCVFACIBGL-UFBFGSQYSA-N 1 0 209.264 2.332 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2C[C@H]2C)c(F)c1 ZINC000228597721 487685236 /nfs/dbraw/zinc/68/52/36/487685236.db2.gz RAQCCCVFACIBGL-PRHODGIISA-N 1 0 209.264 2.332 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2C1 ZINC000398811630 262770290 /nfs/dbraw/zinc/77/02/90/262770290.db2.gz VWWXLNRKWDDRDJ-IJLUTSLNSA-N 1 0 245.313 2.125 10 0 BEAERO Cc1cc(C[NH2+][C@H](CC(C)C)CN(C)C)ccn1 ZINC000527652171 262872453 /nfs/dbraw/zinc/87/24/53/262872453.db2.gz IMRILRNGIMQPRE-OAHLLOKOSA-N 1 0 249.402 2.456 10 0 BEAERO CC[C@H]([NH2+][C@H](CO)C(C)C)[C@@H]1CC1(C)C ZINC000397746504 262931930 /nfs/dbraw/zinc/93/19/30/262931930.db2.gz OIVXCSBJMIPNND-SDDRHHMPSA-N 1 0 213.365 2.418 10 0 BEAERO CC[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226287219 487706724 /nfs/dbraw/zinc/70/67/24/487706724.db2.gz QSMGKFPVKLCZTR-YNEHKIRRSA-N 1 0 211.349 2.412 10 0 BEAERO CCC[C@@H]1C[C@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000233302974 487708584 /nfs/dbraw/zinc/70/85/84/487708584.db2.gz ZLRAISBCGPSHIN-DGCLKSJQSA-N 1 0 247.342 2.455 10 0 BEAERO CCC1(CC)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226289064 487708851 /nfs/dbraw/zinc/70/88/51/487708851.db2.gz HGBBPRJEKXYKRU-VXGBXAGGSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290222 487708709 /nfs/dbraw/zinc/70/87/09/487708709.db2.gz CASQEVMTRSDYFV-STQMWFEESA-N 1 0 246.354 2.254 10 0 BEAERO CC(C)c1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])ncn1 ZINC000226346273 487714321 /nfs/dbraw/zinc/71/43/21/487714321.db2.gz KYJGOJFKLOYINF-YPMHNXCESA-N 1 0 248.374 2.164 10 0 BEAERO CC[C@H](C)C[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000088300153 487719759 /nfs/dbraw/zinc/71/97/59/487719759.db2.gz STCUAUOYIQIBRQ-ZFDZMSFRSA-N 1 0 240.391 2.445 10 0 BEAERO [NH3+]Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000250259060 487729162 /nfs/dbraw/zinc/72/91/62/487729162.db2.gz SGFLXIFKISKHOK-ZSBIGDGJSA-N 1 0 230.311 2.130 10 0 BEAERO C[C@@H]1CC[C@@H](C)N(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000088705445 487745942 /nfs/dbraw/zinc/74/59/42/487745942.db2.gz MBYKHXYUBOBNBM-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CC[C@H](C)N(C(=O)C2CCC([NH3+])CC2)C1 ZINC000088705218 487745953 /nfs/dbraw/zinc/74/59/53/487745953.db2.gz JVONRQSVTBUSDC-IALDZJHCSA-N 1 0 238.375 2.151 10 0 BEAERO CCc1cc(N[C@H](C[NH3+])CC(C)C)nc(C)n1 ZINC000088760645 487749997 /nfs/dbraw/zinc/74/99/97/487749997.db2.gz DBVXPRFEQKAFLV-LBPRGKRZSA-N 1 0 236.363 2.133 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000399758963 487751662 /nfs/dbraw/zinc/75/16/62/487751662.db2.gz RATDHGLQKRGDNF-RYUDHWBXSA-N 1 0 240.391 2.399 10 0 BEAERO CCC(C)(C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226458493 487752615 /nfs/dbraw/zinc/75/26/15/487752615.db2.gz OARAQPBCSDLZKG-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251424427 487755869 /nfs/dbraw/zinc/75/58/69/487755869.db2.gz QOCGAGIEZKCYQP-AVGNSLFASA-N 1 0 238.375 2.008 10 0 BEAERO [NH3+]CC1(NC(=O)c2ccccc2)CCCCC1 ZINC000023623058 487761955 /nfs/dbraw/zinc/76/19/55/487761955.db2.gz FDCRVBMXNKUFHH-UHFFFAOYSA-N 1 0 232.327 2.078 10 0 BEAERO CC[C@@H](NC(=O)C[NH2+]C(C)C)c1ccccc1 ZINC000051628614 487763038 /nfs/dbraw/zinc/76/30/38/487763038.db2.gz HUDKFVQUVAANOS-CYBMUJFWSA-N 1 0 234.343 2.252 10 0 BEAERO CC[C@@H]1CN(c2cc(C(C)C)ncn2)CC[C@H]1[NH3+] ZINC000251605939 487775537 /nfs/dbraw/zinc/77/55/37/487775537.db2.gz DIKSJWABMXZYDW-VXGBXAGGSA-N 1 0 248.374 2.164 10 0 BEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000214597741 487777762 /nfs/dbraw/zinc/77/77/62/487777762.db2.gz SPGVTEROYCHWOY-AVGNSLFASA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@H]1C ZINC000252102651 487816027 /nfs/dbraw/zinc/81/60/27/487816027.db2.gz GMLFMOOCOSLTDB-MROQNXINSA-N 1 0 238.375 2.008 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1F ZINC000089449569 487816375 /nfs/dbraw/zinc/81/63/75/487816375.db2.gz NTZHQVVAVNJAJB-ZJUUUORDSA-N 1 0 236.290 2.139 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CCCCCC1 ZINC000089450406 487816955 /nfs/dbraw/zinc/81/69/55/487816955.db2.gz AZAXQBCOSFIZCE-YPMHNXCESA-N 1 0 238.375 2.200 10 0 BEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089448544 487818473 /nfs/dbraw/zinc/81/84/73/487818473.db2.gz IQVWAYVZUCDMQN-GXFFZTMASA-N 1 0 248.326 2.009 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252176354 487820190 /nfs/dbraw/zinc/82/01/90/487820190.db2.gz PAPSMKOJMWBYFL-FRRDWIJNSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1cccc(N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089461250 487823871 /nfs/dbraw/zinc/82/38/71/487823871.db2.gz QASJKFZPPMCJRU-OCCSQVGLSA-N 1 0 246.354 2.333 10 0 BEAERO Cc1cccc(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089461255 487823973 /nfs/dbraw/zinc/82/39/73/487823973.db2.gz QASJKFZPPMCJRU-JSGCOSHPSA-N 1 0 246.354 2.333 10 0 BEAERO C[NH2+][C@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC000234436046 487827045 /nfs/dbraw/zinc/82/70/45/487827045.db2.gz MEPRKLOUEQEJPV-LLVKDONJSA-N 1 0 248.370 2.322 10 0 BEAERO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H](C)S1 ZINC000309314199 487835506 /nfs/dbraw/zinc/83/55/06/487835506.db2.gz YEXMIIYDBWSZOY-XQHKEYJVSA-N 1 0 243.416 2.363 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000253126639 487855315 /nfs/dbraw/zinc/85/53/15/487855315.db2.gz LYPDXDHALFBSQK-AVGNSLFASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]([NH3+])[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000334163929 487859583 /nfs/dbraw/zinc/85/95/83/487859583.db2.gz ZJKHJBTXPVRQIP-KXUCPTDWSA-N 1 0 227.348 2.338 10 0 BEAERO CNC(=O)[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C(C)C ZINC000309947733 487870741 /nfs/dbraw/zinc/87/07/41/487870741.db2.gz DWKNWXFZWSVVBW-GHMZBOCLSA-N 1 0 228.380 2.029 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccsc1 ZINC000050344426 487944622 /nfs/dbraw/zinc/94/46/22/487944622.db2.gz PSVSZUITJZZSOU-JQWIXIFHSA-N 1 0 224.373 2.493 10 0 BEAERO CCC[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000134601955 323024999 /nfs/dbraw/zinc/02/49/99/323024999.db2.gz GBDIGNIMVXPYHK-STQMWFEESA-N 1 0 240.391 2.221 10 0 BEAERO Cc1ccoc1CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562957086 323035068 /nfs/dbraw/zinc/03/50/68/323035068.db2.gz UAYVBEQDKOTYBZ-VXGBXAGGSA-N 1 0 222.332 2.066 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000313492844 323091905 /nfs/dbraw/zinc/09/19/05/323091905.db2.gz PQJOBGHOXZKROO-GHMZBOCLSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000313492845 323091987 /nfs/dbraw/zinc/09/19/87/323091987.db2.gz PQJOBGHOXZKROO-MNOVXSKESA-N 1 0 226.364 2.056 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(C)n1C ZINC000563440536 323126039 /nfs/dbraw/zinc/12/60/39/323126039.db2.gz QSHGXNQSTBNIQQ-ZYHUDNBSSA-N 1 0 207.321 2.007 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)CC1CCCCC1 ZINC000571297275 323140710 /nfs/dbraw/zinc/14/07/10/323140710.db2.gz IBGQZGGOSIJKLM-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000394860963 323151404 /nfs/dbraw/zinc/15/14/04/323151404.db2.gz PZLVQWBUWXHZBR-YVECIDJPSA-N 1 0 238.375 2.069 10 0 BEAERO COCCC[NH2+]Cc1ccnc2ccccc12 ZINC000111728509 323163076 /nfs/dbraw/zinc/16/30/76/323163076.db2.gz FWBNJUFKOPVOKV-UHFFFAOYSA-N 1 0 230.311 2.361 10 0 BEAERO CC(C)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398881727 323194351 /nfs/dbraw/zinc/19/43/51/323194351.db2.gz XLRUAHGBHBDDQQ-YNEHKIRRSA-N 1 0 211.349 2.125 10 0 BEAERO Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cc1 ZINC000399253753 323202074 /nfs/dbraw/zinc/20/20/74/323202074.db2.gz NUCNSFRCNDBWLQ-JSGCOSHPSA-N 1 0 219.328 2.340 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCOc1ccccc1 ZINC000399330096 323204020 /nfs/dbraw/zinc/20/40/20/323204020.db2.gz XZDTUTKGQWTXNN-UONOGXRCSA-N 1 0 249.354 2.301 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2ccoc2C)C1 ZINC000321589202 323385296 /nfs/dbraw/zinc/38/52/96/323385296.db2.gz PCVLOXUOGPSQOC-ZDUSSCGKSA-N 1 0 222.332 2.162 10 0 BEAERO CC[C@H]([NH2+]Cc1ccc(C)nn1)C(C)C ZINC000396690371 323652455 /nfs/dbraw/zinc/65/24/55/323652455.db2.gz BWRCCAQQSLMPIU-LBPRGKRZSA-N 1 0 207.321 2.309 10 0 BEAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccco1 ZINC000396731732 323657504 /nfs/dbraw/zinc/65/75/04/323657504.db2.gz YZFHNUFLWYDRBQ-DCAQKATOSA-N 1 0 208.305 2.071 10 0 BEAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1ccn(CC)n1 ZINC000536951756 323957487 /nfs/dbraw/zinc/95/74/87/323957487.db2.gz VPTQWJKAWPOSTK-MNOVXSKESA-N 1 0 207.321 2.006 10 0 BEAERO CC(C)(C)OC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000536953294 323960593 /nfs/dbraw/zinc/96/05/93/323960593.db2.gz KMEGSYWWLBFKFQ-UHFFFAOYSA-N 1 0 247.338 2.217 10 0 BEAERO COc1ccc([C@H](C[NH3+])C2(CO)CCCC2)cc1 ZINC000536953801 323961413 /nfs/dbraw/zinc/96/14/13/323961413.db2.gz KBCAMUDPMRVSFA-AWEZNQCLSA-N 1 0 249.354 2.290 10 0 BEAERO [NH3+]C[C@@H](c1cccc(F)c1)C1(CO)CCC1 ZINC000536954198 323962469 /nfs/dbraw/zinc/96/24/69/323962469.db2.gz PJQQBLFOSPERFE-LBPRGKRZSA-N 1 0 223.291 2.031 10 0 BEAERO [NH3+]C[C@H](c1ccc(F)cc1)C1(CO)CCCC1 ZINC000536954569 323963459 /nfs/dbraw/zinc/96/34/59/323963459.db2.gz QKYIYFNQIGRSMH-CYBMUJFWSA-N 1 0 237.318 2.421 10 0 BEAERO Cn1cc([C@@H]2[NH2+]CC23CCC(F)(F)CC3)cn1 ZINC000536960006 323972710 /nfs/dbraw/zinc/97/27/10/323972710.db2.gz NJKJHEFABOPPFA-JTQLQIEISA-N 1 0 241.285 2.260 10 0 BEAERO CC1(C)CC(C[N@@H+]2CC[C@@H](CCO)C2)C1 ZINC000528389391 324217811 /nfs/dbraw/zinc/21/78/11/324217811.db2.gz LJESNHPPSDTBRE-NSHDSACASA-N 1 0 211.349 2.127 10 0 BEAERO CC(C)Cc1ncc(C[NH2+]CC[C@@H](C)O)s1 ZINC000125060178 324630667 /nfs/dbraw/zinc/63/06/67/324630667.db2.gz KKVQVLYQHAMVJR-SNVBAGLBSA-N 1 0 242.388 2.202 10 0 BEAERO CN(C(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000083913898 487966430 /nfs/dbraw/zinc/96/64/30/487966430.db2.gz LCEHYPRRAUJLMB-UHFFFAOYSA-N 1 0 232.327 2.167 10 0 BEAERO CCCn1cc(C[NH2+]CCCSC)cn1 ZINC000130296015 325035833 /nfs/dbraw/zinc/03/58/33/325035833.db2.gz GEXNLHDNBVHWOX-UHFFFAOYSA-N 1 0 227.377 2.136 10 0 BEAERO COC[C@@H](C)C[NH2+]CCOc1cccc(C)c1 ZINC000131894054 325189880 /nfs/dbraw/zinc/18/98/80/325189880.db2.gz RESYBGWGUJIEMB-ZDUSSCGKSA-N 1 0 237.343 2.246 10 0 BEAERO CC(C)[C@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000132141874 325201183 /nfs/dbraw/zinc/20/11/83/325201183.db2.gz YSAAMISNZSUTSY-CHWSQXEVSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)[C@H](C)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000134116704 325344198 /nfs/dbraw/zinc/34/41/98/325344198.db2.gz SQRZWHLZUREQIZ-FRRDWIJNSA-N 1 0 224.392 2.493 10 0 BEAERO CCC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000134602027 325367037 /nfs/dbraw/zinc/36/70/37/325367037.db2.gz GBDIGNIMVXPYHK-CHWSQXEVSA-N 1 0 240.391 2.221 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000134980397 325386376 /nfs/dbraw/zinc/38/63/76/325386376.db2.gz UHKNTOSVTQQDNW-NEPJUHHUSA-N 1 0 244.338 2.341 10 0 BEAERO C[C@@H](O)CC[NH2+]Cc1ccnc2ccccc12 ZINC000078781342 325431405 /nfs/dbraw/zinc/43/14/05/325431405.db2.gz FEBOGSHNHPICMV-LLVKDONJSA-N 1 0 230.311 2.095 10 0 BEAERO COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC(O)C1 ZINC000091416063 325686550 /nfs/dbraw/zinc/68/65/50/325686550.db2.gz HLERRNUJXIZNIJ-HIFPTAJRSA-N 1 0 249.354 2.425 10 0 BEAERO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000091416062 325686557 /nfs/dbraw/zinc/68/65/57/325686557.db2.gz HLERRNUJXIZNIJ-PNESKVBLSA-N 1 0 249.354 2.425 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(F)c(F)c1 ZINC000091525102 325687234 /nfs/dbraw/zinc/68/72/34/325687234.db2.gz KZUDUFRCYGTJLM-SILCLGDVSA-N 1 0 241.281 2.386 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(F)cc1F ZINC000091524751 325687318 /nfs/dbraw/zinc/68/73/18/325687318.db2.gz YZDCLFXIGNZUSV-SILCLGDVSA-N 1 0 241.281 2.386 10 0 BEAERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)nc1 ZINC000154738249 326162672 /nfs/dbraw/zinc/16/26/72/326162672.db2.gz WVDJJSFDBVCGBO-DZGCQCFKSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1nc(N[C@H](C)C[C@H](C)[NH3+])sc1C ZINC000165754098 326426204 /nfs/dbraw/zinc/42/62/04/326426204.db2.gz QESYMEOTKSQGJF-NKWVEPMBSA-N 1 0 213.350 2.298 10 0 BEAERO C[C@@]1(C(=O)NCC2CCCCC2)CCC[NH2+]C1 ZINC000062853537 487997694 /nfs/dbraw/zinc/99/76/94/487997694.db2.gz PQTFXDKOMFFLQQ-CQSZACIVSA-N 1 0 238.375 2.073 10 0 BEAERO C[N@@H+](Cc1ccccn1)C[C@@H]1CCC[C@H](O)C1 ZINC000310463903 488028992 /nfs/dbraw/zinc/02/89/92/488028992.db2.gz YTMUTYRLVPSWKC-OCCSQVGLSA-N 1 0 234.343 2.065 10 0 BEAERO [NH3+][C@H](CNc1nccc2ccccc21)C1CC1 ZINC000135376471 488032954 /nfs/dbraw/zinc/03/29/54/488032954.db2.gz ILYHKIYPGIZJHJ-CYBMUJFWSA-N 1 0 227.311 2.384 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000310481439 488033028 /nfs/dbraw/zinc/03/30/28/488033028.db2.gz DKKRMPGDEHUPKW-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO Cn1nccc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000236094533 488040891 /nfs/dbraw/zinc/04/08/91/488040891.db2.gz QMHNQFMSEMLILM-LBPRGKRZSA-N 1 0 213.284 2.033 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084308736 488043365 /nfs/dbraw/zinc/04/33/65/488043365.db2.gz NYFYRAOVSASXKH-NWDGAFQWSA-N 1 0 226.364 2.010 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)CC1 ZINC000084446557 488052481 /nfs/dbraw/zinc/05/24/81/488052481.db2.gz PSZYFILGVOTIIW-GMKTYKIGSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](C)CC1 ZINC000129063191 488071915 /nfs/dbraw/zinc/07/19/15/488071915.db2.gz NIOJDSMWBOWHTI-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1cc(F)ccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136303269 488093609 /nfs/dbraw/zinc/09/36/09/488093609.db2.gz DHAPQJNCUFQEHJ-NSHDSACASA-N 1 0 238.306 2.446 10 0 BEAERO CCN(Cc1ccccc1)C(=O)C[C@H]([NH3+])C(C)C ZINC000136308980 488094193 /nfs/dbraw/zinc/09/41/93/488094193.db2.gz ULTGHQIDAVNMJQ-AWEZNQCLSA-N 1 0 248.370 2.409 10 0 BEAERO CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136342890 488095781 /nfs/dbraw/zinc/09/57/81/488095781.db2.gz HUVDPNKNNYWLFB-FRRDWIJNSA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136342823 488095882 /nfs/dbraw/zinc/09/58/82/488095882.db2.gz HUVDPNKNNYWLFB-AGIUHOORSA-N 1 0 240.391 2.445 10 0 BEAERO [NH3+]Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000667727186 488102721 /nfs/dbraw/zinc/10/27/21/488102721.db2.gz YSPDCRIXOLWVOK-WCQYABFASA-N 1 0 245.326 2.162 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@@H]1C ZINC000389627616 488103280 /nfs/dbraw/zinc/10/32/80/488103280.db2.gz LBFATMKEMHSILQ-LPWJVIDDSA-N 1 0 211.349 2.268 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1CCC(C)CC1 ZINC000136461176 488103467 /nfs/dbraw/zinc/10/34/67/488103467.db2.gz CUUJNMUWTIOJEH-BPCQOVAHSA-N 1 0 240.391 2.302 10 0 BEAERO Cc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1O ZINC000136486806 488105941 /nfs/dbraw/zinc/10/59/41/488105941.db2.gz ZMYUGMJZWXJTDR-JTQLQIEISA-N 1 0 236.315 2.013 10 0 BEAERO Cc1ccc(O)c(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000094574281 487544102 /nfs/dbraw/zinc/54/41/02/487544102.db2.gz IKMABTADARCGIM-MNOVXSKESA-N 1 0 248.326 2.014 10 0 BEAERO Cc1ccc(O)c(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000094574101 487544194 /nfs/dbraw/zinc/54/41/94/487544194.db2.gz PKKKYVJYIMOKRP-UHFFFAOYSA-N 1 0 248.326 2.157 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382048199 487530272 /nfs/dbraw/zinc/53/02/72/487530272.db2.gz BDNJXNJFCWFHCZ-IGQOVBAYSA-N 1 0 224.392 2.495 10 0 BEAERO CC(C)[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)C1CC1 ZINC000324195398 487553690 /nfs/dbraw/zinc/55/36/90/487553690.db2.gz XIMACSCRYXTBRY-GXTWGEPZSA-N 1 0 238.375 2.069 10 0 BEAERO O[C@@H]1CCC[C@H](C[NH+]2C3CCC2CC3)C1 ZINC000399336263 487474417 /nfs/dbraw/zinc/47/44/17/487474417.db2.gz RXGSLHGROSBTRU-YWPUVAFDSA-N 1 0 209.333 2.164 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1O ZINC000093655020 487482685 /nfs/dbraw/zinc/48/26/85/487482685.db2.gz HAWNNESDNFLGJC-GHMZBOCLSA-N 1 0 248.326 2.014 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1C[C@@H](CC)CC[C@@H]1C ZINC000304390485 487498910 /nfs/dbraw/zinc/49/89/10/487498910.db2.gz SWZGZCHUFNCDQV-SDDRHHMPSA-N 1 0 226.364 2.151 10 0 BEAERO CCc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000308806031 487512454 /nfs/dbraw/zinc/51/24/54/487512454.db2.gz AWCYLRUCCUGRFT-SKDRFNHKSA-N 1 0 224.373 2.232 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000227084468 487512656 /nfs/dbraw/zinc/51/26/56/487512656.db2.gz NQWJIYIPMWKROD-MBNYWOFBSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H](C[NH2+]C1CC(CO)C1)c1ccccc1 ZINC000668779052 487524908 /nfs/dbraw/zinc/52/49/08/487524908.db2.gz FUFNUKSRRXFVQD-DCBWTQNWSA-N 1 0 219.328 2.151 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667882160 488147081 /nfs/dbraw/zinc/14/70/81/488147081.db2.gz MWLOUZRXJUBOKC-FVCCEPFGSA-N 1 0 209.333 2.332 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)CC1([NH3+])CCC1 ZINC000094295117 487526887 /nfs/dbraw/zinc/52/68/87/487526887.db2.gz GTXBLRXVDCHBGM-LBPRGKRZSA-N 1 0 246.354 2.444 10 0 BEAERO Cc1nnc(NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000097829726 487703853 /nfs/dbraw/zinc/70/38/53/487703853.db2.gz DBPVJMFCCYPXAX-UHFFFAOYSA-N 1 0 246.339 2.062 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncnc2ccccc21 ZINC000229599061 487930632 /nfs/dbraw/zinc/93/06/32/487930632.db2.gz YOUWDOFVWLJBKW-PWSUYJOCSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@@H](CC[NH3+])Nc1nccc2ccccc21 ZINC000134269242 487977035 /nfs/dbraw/zinc/97/70/35/487977035.db2.gz ZCEYSAAZDGBBRE-JTQLQIEISA-N 1 0 215.300 2.384 10 0 BEAERO CC(C)CC[N@H+](C[C@@H](O)C(F)(F)F)C1CC1 ZINC000109706769 488146889 /nfs/dbraw/zinc/14/68/89/488146889.db2.gz YDRLBKADGJWCOS-SNVBAGLBSA-N 1 0 239.281 2.420 10 0 BEAERO CO[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H](C)C1 ZINC000380027820 488167821 /nfs/dbraw/zinc/16/78/21/488167821.db2.gz FQRJEIVBKUFFNK-AAVRWANBSA-N 1 0 241.375 2.037 10 0 BEAERO CO[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@@H](C)C1 ZINC000380027827 488168505 /nfs/dbraw/zinc/16/85/05/488168505.db2.gz FQRJEIVBKUFFNK-RFQIPJPRSA-N 1 0 241.375 2.037 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC(C)(C)CC1 ZINC000136475709 488180554 /nfs/dbraw/zinc/18/05/54/488180554.db2.gz JCINCFMKMNFGSQ-LBPRGKRZSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)[C@H]1CCCO1 ZINC000655688140 488189425 /nfs/dbraw/zinc/18/94/25/488189425.db2.gz NCNIKASUZDSTLD-NOOOWODRSA-N 1 0 229.389 2.428 10 0 BEAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CCO1 ZINC000231295111 488196445 /nfs/dbraw/zinc/19/64/45/488196445.db2.gz KLEBJHOBLZCKJJ-JHJVBQTASA-N 1 0 241.375 2.085 10 0 BEAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668112857 488205024 /nfs/dbraw/zinc/20/50/24/488205024.db2.gz ZQUXZTWKMAKLFW-DCAQKATOSA-N 1 0 227.373 2.038 10 0 BEAERO CC[C@@H]1C[C@H](C)CN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000399287335 488228689 /nfs/dbraw/zinc/22/86/89/488228689.db2.gz WATMRYUVNWYMOA-YNEHKIRRSA-N 1 0 238.375 2.023 10 0 BEAERO C[N@H+](C[C@@H](O)C1CC1)C[C@H]1Cc2ccccc21 ZINC000672545235 488259188 /nfs/dbraw/zinc/25/91/88/488259188.db2.gz CRZKUBCOVORNFP-UKRRQHHQSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000111256364 488339621 /nfs/dbraw/zinc/33/96/21/488339621.db2.gz FFLAFFZMJOLWJE-LDYMZIIASA-N 1 0 247.273 2.199 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000226233399 490124297 /nfs/dbraw/zinc/12/42/97/490124297.db2.gz KIIUQGABGYMPMN-BPLDGKMQSA-N 1 0 231.339 2.219 10 0 BEAERO CCC1(CNC(=O)C[C@H]2CC[NH2+]C2)CCCC1 ZINC000130044322 490213639 /nfs/dbraw/zinc/21/36/39/490213639.db2.gz MDFNUYNGZWQUBD-GFCCVEGCSA-N 1 0 238.375 2.073 10 0 BEAERO CC[C@H]([NH2+]CCc1cncn1C)C(C)(C)C ZINC000336728985 490288039 /nfs/dbraw/zinc/28/80/39/490288039.db2.gz HJOWFEQXJHUJIJ-LBPRGKRZSA-N 1 0 223.364 2.377 10 0 BEAERO CC(C)[C@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124117013 490294889 /nfs/dbraw/zinc/29/48/89/490294889.db2.gz KDUILIOUMLSKPA-NSHDSACASA-N 1 0 246.354 2.107 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000229930761 490366870 /nfs/dbraw/zinc/36/68/70/490366870.db2.gz SYKDUSMOVPGJQF-RYUDHWBXSA-N 1 0 248.374 2.082 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cs1 ZINC000217675884 490480167 /nfs/dbraw/zinc/48/01/67/490480167.db2.gz MBNVBLHJGAKLOK-JMJZKYOTSA-N 1 0 240.372 2.406 10 0 BEAERO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000300591647 490566689 /nfs/dbraw/zinc/56/66/89/490566689.db2.gz JWSQQIXHBHNZLR-WHOFXGATSA-N 1 0 231.339 2.483 10 0 BEAERO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cncnc1 ZINC000128189376 490571498 /nfs/dbraw/zinc/57/14/98/490571498.db2.gz APGWNHIOGYGCNL-NWDGAFQWSA-N 1 0 219.332 2.487 10 0 BEAERO CC(=O)N1CCC([NH2+][C@H](C)CC2CCC2)CC1 ZINC000128587963 490583343 /nfs/dbraw/zinc/58/33/43/490583343.db2.gz MWCXZPTVSHKBFF-LLVKDONJSA-N 1 0 238.375 2.166 10 0 BEAERO CC[C@H]1CCC[N@H+](Cc2cncnc2)CC1 ZINC000128826257 490591776 /nfs/dbraw/zinc/59/17/76/490591776.db2.gz VCRJRCPKVKHCHO-LBPRGKRZSA-N 1 0 219.332 2.489 10 0 BEAERO CC[C@H](C)N(CC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128900599 490593626 /nfs/dbraw/zinc/59/36/26/490593626.db2.gz JJOAMANPVWLLAO-WDEREUQCSA-N 1 0 214.353 2.007 10 0 BEAERO OCC[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000227475960 491061470 /nfs/dbraw/zinc/06/14/70/491061470.db2.gz DKLVWUZEGOAMKC-ZFWWWQNUSA-N 1 0 245.366 2.421 10 0 BEAERO c1ncc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cn1 ZINC000136686090 491063870 /nfs/dbraw/zinc/06/38/70/491063870.db2.gz NGJOMRQFXKZMJQ-CYBMUJFWSA-N 1 0 247.342 2.058 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086929295 491065213 /nfs/dbraw/zinc/06/52/13/491065213.db2.gz DOENEUMWYMJDBD-QWHCGFSZSA-N 1 0 210.365 2.201 10 0 BEAERO C[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052554813 491069568 /nfs/dbraw/zinc/06/95/68/491069568.db2.gz INLSVMPZQMNKLL-BNOWGMLFSA-N 1 0 246.354 2.062 10 0 BEAERO Clc1ccccc1C1(N[C@H]2CC[NH2+]C2)CC1 ZINC000215906405 491089210 /nfs/dbraw/zinc/08/92/10/491089210.db2.gz HYKJCUYYPIUCEH-JTQLQIEISA-N 1 0 236.746 2.281 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H](C)CC[NH3+])n1 ZINC000229932855 491121227 /nfs/dbraw/zinc/12/12/27/491121227.db2.gz NCJRSYQUXBXTPW-SECBINFHSA-N 1 0 222.336 2.058 10 0 BEAERO CCC(CC)[N@H+](CCOC)Cc1cncnc1 ZINC000124229404 491126076 /nfs/dbraw/zinc/12/60/76/491126076.db2.gz GBJLEPSWJZOQHN-UHFFFAOYSA-N 1 0 237.347 2.114 10 0 BEAERO OCC[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000090981446 491127149 /nfs/dbraw/zinc/12/71/49/491127149.db2.gz DKLVWUZEGOAMKC-UKRRQHHQSA-N 1 0 245.366 2.421 10 0 BEAERO C[C@H](CCO)[NH2+]Cc1cccc2cnccc21 ZINC000132410419 491135766 /nfs/dbraw/zinc/13/57/66/491135766.db2.gz NAYFQNYWBYDWSA-LLVKDONJSA-N 1 0 230.311 2.095 10 0 BEAERO C[C@@H](CCO)[NH2+]Cc1cccc2cnccc21 ZINC000132410220 491135791 /nfs/dbraw/zinc/13/57/91/491135791.db2.gz NAYFQNYWBYDWSA-NSHDSACASA-N 1 0 230.311 2.095 10 0 BEAERO COC[C@@H](C)[NH2+]CCCCC1CCOCC1 ZINC000300734075 491145660 /nfs/dbraw/zinc/14/56/60/491145660.db2.gz GQOHZRLOEASZBL-GFCCVEGCSA-N 1 0 229.364 2.208 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cncn1C ZINC000310024720 491160281 /nfs/dbraw/zinc/16/02/81/491160281.db2.gz OROITIILJBFXCK-YPMHNXCESA-N 1 0 221.348 2.479 10 0 BEAERO CC[C@@H](C)C(=O)c1nc(CNC)cs1 ZINC000757124863 582499760 /nfs/dbraw/zinc/49/97/60/582499760.db2.gz QKLHZMQLJHNAJJ-SSDOTTSWSA-N 1 0 212.318 2.091 10 0 BEAERO CC1(C)C[NH2+]C2(CCC2)OC12CCOCC2 ZINC000757138637 582518718 /nfs/dbraw/zinc/51/87/18/582518718.db2.gz CUIPJXWFURUJOV-UHFFFAOYSA-N 1 0 225.332 2.062 10 0 BEAERO Cc1ccc([C@H]2C[C@@H]3CC[NH2+]C[C@@H]32)cn1 ZINC000757139100 582518839 /nfs/dbraw/zinc/51/88/39/582518839.db2.gz DBZWFRWVPQXNDK-UHTWSYAYSA-N 1 0 202.301 2.103 10 0 BEAERO FC(F)(F)[C@@H]1CCC[C@]2(C1)[NH2+]CCCO2 ZINC000757139939 582520130 /nfs/dbraw/zinc/52/01/30/582520130.db2.gz KERPATRLVUSXGW-BDAKNGLRSA-N 1 0 223.238 2.445 10 0 BEAERO CC1(C)C[NH2+][C@]2(CCSC2)OC1(C)C ZINC000757140024 582520579 /nfs/dbraw/zinc/52/05/79/582520579.db2.gz IFQNFBWFSQCLAA-LLVKDONJSA-N 1 0 215.362 2.244 10 0 BEAERO Cc1cc(CN2CC[C@H]2C[NH3+])ccc1Cl ZINC000757142998 582523541 /nfs/dbraw/zinc/52/35/41/582523541.db2.gz GUCQMTWOXLFUMZ-NSHDSACASA-N 1 0 224.735 2.181 10 0 BEAERO COc1ccc([C@@H]2CCO[C@@H](C)[NH2+]2)cc1 ZINC000757143385 582523668 /nfs/dbraw/zinc/52/36/68/582523668.db2.gz WMRLINFWQQPDEE-CABZTGNLSA-N 1 0 207.273 2.092 10 0 BEAERO CC(C)[C@H]1[NH2+]C2(CCOCC2)OCC1(C)C ZINC000757143785 582524094 /nfs/dbraw/zinc/52/40/94/582524094.db2.gz FIRISBYIGQOMBU-LLVKDONJSA-N 1 0 227.348 2.164 10 0 BEAERO C[C@H]1CC(C)(C)C[C@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757145361 582527509 /nfs/dbraw/zinc/52/75/09/582527509.db2.gz IILYLCOBYVLYNI-SMDDNHRTSA-N 1 0 239.359 2.308 10 0 BEAERO CCC1(CC)CC[NH2+][C@@]2(CCSC2)O1 ZINC000757145844 582528464 /nfs/dbraw/zinc/52/84/64/582528464.db2.gz PMCRQCQQCOFNTI-NSHDSACASA-N 1 0 215.362 2.388 10 0 BEAERO CC(C)[C@@H]1O[C@@]2(CCSC2)[NH2+]CC12CC2 ZINC000757145137 582528281 /nfs/dbraw/zinc/52/82/81/582528281.db2.gz OGJNRJRFXRVFDV-CMPLNLGQSA-N 1 0 227.373 2.244 10 0 BEAERO CC[C@@H]([NH3+])c1ccc(O)c2ccncc21 ZINC000757146827 582530164 /nfs/dbraw/zinc/53/01/64/582530164.db2.gz VPZSUCUYFRIASU-LLVKDONJSA-N 1 0 202.257 2.350 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757146998 582530888 /nfs/dbraw/zinc/53/08/88/582530888.db2.gz KVOFHPAFHGPYTP-JTQLQIEISA-N 1 0 231.286 2.048 10 0 BEAERO CC[C@@H]1[NH2+][C@H](Cc2ccccc2)CCO1 ZINC000757150197 582534196 /nfs/dbraw/zinc/53/41/96/582534196.db2.gz PFTNOMORYAEGSR-QWHCGFSZSA-N 1 0 205.301 2.344 10 0 BEAERO CC(C)[C@@H]1O[C@@]2(CCCOC2)[NH2+]CC1(C)C ZINC000757152617 582537282 /nfs/dbraw/zinc/53/72/82/582537282.db2.gz SYCLMLJFRRCWFL-WCQYABFASA-N 1 0 227.348 2.164 10 0 BEAERO CC[C@H]([NH3+])[C@H](CO)SCc1ccc(Cl)o1 ZINC000757172004 582551161 /nfs/dbraw/zinc/55/11/61/582551161.db2.gz WRMBZMMRRZSIDQ-IUCAKERBSA-N 1 0 249.763 2.264 10 0 BEAERO COc1cc(F)ccc1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400479776 534026721 /nfs/dbraw/zinc/02/67/21/534026721.db2.gz FFRPUVGEKAXSSM-VHSXEESVSA-N 1 0 238.306 2.244 10 0 BEAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C(C)C ZINC000167640765 535909311 /nfs/dbraw/zinc/90/93/11/535909311.db2.gz HLXJBQMITAAHIU-QWRGUYRKSA-N 1 0 201.354 2.418 10 0 BEAERO CCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC ZINC000082926604 517561164 /nfs/dbraw/zinc/56/11/64/517561164.db2.gz HJMQMKGXLWBMOY-STQMWFEESA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000183357898 536182376 /nfs/dbraw/zinc/18/23/76/536182376.db2.gz UIINTTCHSHNEAN-YNEHKIRRSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)CCC(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000020251952 519635334 /nfs/dbraw/zinc/63/53/34/519635334.db2.gz ROTLWOZDFIHKTQ-LBPRGKRZSA-N 1 0 226.364 2.071 10 0 BEAERO CCN1CC[C@@H]([NH+]2CCCCC2)C[C@H]1C ZINC000252474523 521714646 /nfs/dbraw/zinc/71/46/46/521714646.db2.gz HACCXFVGOBDVMD-CHWSQXEVSA-N 1 0 210.365 2.345 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cc(C)ccc2OC)C[C@H]1C ZINC000049707768 536377969 /nfs/dbraw/zinc/37/79/69/536377969.db2.gz ZYBIHBYJGZZEIL-CHWSQXEVSA-N 1 0 248.370 2.438 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000049711485 536378273 /nfs/dbraw/zinc/37/82/73/536378273.db2.gz ITUSKGBASKHSAU-CHWSQXEVSA-N 1 0 247.386 2.329 10 0 BEAERO CCc1c(C)nc(NCCC(C)C)[nH+]c1NN ZINC000057331716 523710580 /nfs/dbraw/zinc/71/05/80/523710580.db2.gz DRGIZVPZHIYHBS-UHFFFAOYSA-N 1 0 237.351 2.091 10 0 BEAERO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+](C)C ZINC000242543454 524632133 /nfs/dbraw/zinc/63/21/33/524632133.db2.gz KAKCSWWQYPXOFQ-DZGCQCFKSA-N 1 0 232.371 2.459 10 0 BEAERO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000306378432 525239824 /nfs/dbraw/zinc/23/98/24/525239824.db2.gz GJFLAZAAQXIUNF-JGPRNRPPSA-N 1 0 242.363 2.288 10 0 BEAERO C[C@@H](OCCCC1CC[NH2+]CC1)c1cnccn1 ZINC000095068681 525902517 /nfs/dbraw/zinc/90/25/17/525902517.db2.gz WZIFNEFGMRYCRE-GFCCVEGCSA-N 1 0 249.358 2.334 10 0 BEAERO CN1CC[C@@H]2CC[N@H+](CC3(C)CCC3)[C@H]2C1 ZINC000336138266 536463693 /nfs/dbraw/zinc/46/36/93/536463693.db2.gz LPOXTYGRQMSUSW-OLZOCXBDSA-N 1 0 222.376 2.203 10 0 BEAERO Cc1nc(Nc2cccc(F)c2)[nH+]c(NN)c1C ZINC000057331415 527004492 /nfs/dbraw/zinc/00/44/92/527004492.db2.gz ZCTZMESRSOYQBO-UHFFFAOYSA-N 1 0 247.277 2.262 10 0 BEAERO CC(=O)Nc1ccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400706778 527014628 /nfs/dbraw/zinc/01/46/28/527014628.db2.gz LGKWMOUNVGZLEV-CMPLNLGQSA-N 1 0 247.342 2.055 10 0 BEAERO COC[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000173414399 536522765 /nfs/dbraw/zinc/52/27/65/536522765.db2.gz WRVMWWPXRBFTES-GHMZBOCLSA-N 1 0 209.289 2.451 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C)n1CC ZINC000183037682 529207202 /nfs/dbraw/zinc/20/72/02/529207202.db2.gz JCSIIQNCRJHGMY-VHSXEESVSA-N 1 0 224.352 2.131 10 0 BEAERO CCC[NH+]1CCN(c2ccc([C@@H](C)O)cc2)CC1 ZINC000035631434 534932687 /nfs/dbraw/zinc/93/26/87/534932687.db2.gz BZKAYVVJRYIRGU-CYBMUJFWSA-N 1 0 248.370 2.272 10 0 BEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)C1CC1)CC2 ZINC000177274752 535025525 /nfs/dbraw/zinc/02/55/25/535025525.db2.gz OQITYBUNFOYITP-PWSUYJOCSA-N 1 0 248.374 2.104 10 0 BEAERO CCCNC(=O)CC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000070762287 535047892 /nfs/dbraw/zinc/04/78/92/535047892.db2.gz GBQMZZRQFNWZIP-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO CC(C)C[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265181 535105101 /nfs/dbraw/zinc/10/51/01/535105101.db2.gz IMAVPMLWRHFBRH-UHFFFAOYSA-N 1 0 233.359 2.047 10 0 BEAERO CC[NH2+]Cc1cccc(N2CCCCC2)n1 ZINC000051435981 535479030 /nfs/dbraw/zinc/47/90/30/535479030.db2.gz DNMMJROIJFJUGG-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO CC[NH2+][C@H](C)c1ccccc1N1CCC(O)CC1 ZINC000034839928 535516310 /nfs/dbraw/zinc/51/63/10/535516310.db2.gz TWYVYELRAQIXJD-GFCCVEGCSA-N 1 0 248.370 2.318 10 0 BEAERO CC[NH2+][C@H](C)c1cnc(N2CCCCC2)nc1C ZINC000054962931 535516607 /nfs/dbraw/zinc/51/66/07/535516607.db2.gz YZRSVNSURHIRAF-LLVKDONJSA-N 1 0 248.374 2.446 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(C)=O)cn2)C1 ZINC000180422591 535541560 /nfs/dbraw/zinc/54/15/60/535541560.db2.gz NEJVPJWRURDJGG-CYBMUJFWSA-N 1 0 247.342 2.180 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCC(C)C ZINC000177027409 535583861 /nfs/dbraw/zinc/58/38/61/535583861.db2.gz CLLCTXQIFPUUAO-ZDUSSCGKSA-N 1 0 240.391 2.365 10 0 BEAERO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)(C)CC ZINC000049281872 535642819 /nfs/dbraw/zinc/64/28/19/535642819.db2.gz XWAQTJUDGGSCCL-GHMZBOCLSA-N 1 0 228.380 2.315 10 0 BEAERO CCOC(=O)c1cccc(NCC(C)(C)[NH3+])c1 ZINC000261561666 535702079 /nfs/dbraw/zinc/70/20/79/535702079.db2.gz VNTNWYKJTJJMSY-UHFFFAOYSA-N 1 0 236.315 2.013 10 0 BEAERO CC[C@@H](NCC[NH2+]C(C)C)c1nccs1 ZINC000070733293 535803844 /nfs/dbraw/zinc/80/38/44/535803844.db2.gz NGXKGFQCNWNYTA-SNVBAGLBSA-N 1 0 227.377 2.182 10 0 BEAERO CCc1cccc(N2CC[NH2+]C[C@H]2CC)c1 ZINC000016945075 535892570 /nfs/dbraw/zinc/89/25/70/535892570.db2.gz ISWXAZNWDWPEGC-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO CCc1cccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000083085243 535893290 /nfs/dbraw/zinc/89/32/90/535893290.db2.gz JNFZQZZTJLPGOP-RYUDHWBXSA-N 1 0 218.344 2.436 10 0 BEAERO CCn1cccc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000227614354 536102461 /nfs/dbraw/zinc/10/24/61/536102461.db2.gz HWBJTXBQHXXLRO-JSGCOSHPSA-N 1 0 236.359 2.149 10 0 BEAERO CCc1cc(N2CCC([NH3+])CC2)nc(C(C)C)n1 ZINC000045950959 536145410 /nfs/dbraw/zinc/14/54/10/536145410.db2.gz GPLRUXLEARMWFG-UHFFFAOYSA-N 1 0 248.374 2.090 10 0 BEAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cccc(OC)c1 ZINC000083361433 536169814 /nfs/dbraw/zinc/16/98/14/536169814.db2.gz BBASOMDJACWMBG-NEPJUHHUSA-N 1 0 234.343 2.272 10 0 BEAERO CCc1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000058442601 536184885 /nfs/dbraw/zinc/18/48/85/536184885.db2.gz RUTJAGCOLZTHST-UHFFFAOYSA-N 1 0 218.344 2.437 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccc(F)cc2)[C@H](C)C1 ZINC000049708573 536377766 /nfs/dbraw/zinc/37/77/66/536377766.db2.gz AKUTWGOYQZUILV-ZYHUDNBSSA-N 1 0 222.307 2.402 10 0 BEAERO C[NH2+][C@H](C)CN1C[C@H](C)Cc2ccccc21 ZINC000071125195 536389952 /nfs/dbraw/zinc/38/99/52/536389952.db2.gz AWOJERKNOOGETL-VXGBXAGGSA-N 1 0 218.344 2.293 10 0 BEAERO C[C@]1(N)C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000725262766 538089487 /nfs/dbraw/zinc/08/94/87/538089487.db2.gz MGJHRSRVZQLENI-MNOVXSKESA-N 1 0 244.260 2.110 10 0 BEAERO COC[C@@H](C)[C@@H]1[NH2+]CCc2sccc21 ZINC000307014145 566277503 /nfs/dbraw/zinc/27/75/03/566277503.db2.gz OSJBAQXJMBWONK-KCJUWKMLSA-N 1 0 211.330 2.217 10 0 BEAERO CC[C@H](C(=O)C1CC1)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000308788517 566299963 /nfs/dbraw/zinc/29/99/63/566299963.db2.gz BDIYTTMKYDJPMT-DLOVCJGASA-N 1 0 209.333 2.380 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000134057155 566396245 /nfs/dbraw/zinc/39/62/45/566396245.db2.gz SXNSEWCPMHQJEH-NEPJUHHUSA-N 1 0 242.326 2.013 10 0 BEAERO CC(C)(C)OC(=O)[C@@H](C[NH3+])CC1CCCC1 ZINC000232495146 566490495 /nfs/dbraw/zinc/49/04/95/566490495.db2.gz GDLOCCUNKOUQCB-LLVKDONJSA-N 1 0 227.348 2.483 10 0 BEAERO COc1ccc(SC)c2c1C[C@@H]([NH3+])CC2 ZINC000006018097 560204306 /nfs/dbraw/zinc/20/43/06/560204306.db2.gz YCSXMTWSPWKFIE-QMMMGPOBSA-N 1 0 223.341 2.233 10 0 in-vitro BEAERO CC(C)n1nccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000394631406 583003576 /nfs/dbraw/zinc/00/35/76/583003576.db2.gz ZGKPIADWONNWDJ-ZDUSSCGKSA-N 1 0 237.347 2.123 10 0 BEAERO C[C@H](C[NH3+])c1noc(C2CCC(F)(F)CC2)n1 ZINC000216527651 583169992 /nfs/dbraw/zinc/16/99/92/583169992.db2.gz PNLHVKZYCFQBAB-SSDOTTSWSA-N 1 0 245.273 2.425 10 0 BEAERO CCCc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111263942 588738355 /nfs/dbraw/zinc/73/83/55/588738355.db2.gz XUTDVCHWQBOWIN-BXUZGUMPSA-N 1 0 246.354 2.433 10 0 BEAERO CCCC[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757125652 582499970 /nfs/dbraw/zinc/49/99/70/582499970.db2.gz FFKPRNAUGXVDOJ-STQMWFEESA-N 1 0 210.365 2.393 10 0 BEAERO CC[C@@H](C)C(=O)c1nc(C)c(C[NH3+])s1 ZINC000757124940 582500112 /nfs/dbraw/zinc/50/01/12/582500112.db2.gz RLYGYNLXSUCLEZ-ZCFIWIBFSA-N 1 0 212.318 2.139 10 0 BEAERO [NH3+]Cc1c[nH]c2cc(F)c(F)c(F)c12 ZINC000757129454 582503901 /nfs/dbraw/zinc/50/39/01/582503901.db2.gz WSXIWAIZXUMHLV-UHFFFAOYSA-N 1 0 200.163 2.044 10 0 BEAERO CC(C)[C@H]1CCC[C@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757138568 582518190 /nfs/dbraw/zinc/51/81/90/582518190.db2.gz CJONKLPZFGXVRM-JSGCOSHPSA-N 1 0 239.359 2.165 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757139764 582520199 /nfs/dbraw/zinc/52/01/99/582520199.db2.gz HOGHXCNWASCMIS-RISCZKNCSA-N 1 0 239.359 2.165 10 0 BEAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757141003 582521699 /nfs/dbraw/zinc/52/16/99/582521699.db2.gz KLHBRDPZWKCTML-GXTWGEPZSA-N 1 0 239.359 2.309 10 0 BEAERO C1CC12C[NH2+][C@@]1(CCCOCC1)OC21CCC1 ZINC000757141791 582522577 /nfs/dbraw/zinc/52/25/77/582522577.db2.gz JWFRMCYMZCGOGT-AWEZNQCLSA-N 1 0 237.343 2.206 10 0 BEAERO C1CC2(C1)C[NH2+][C@]1(CCCOC1)OC21CCC1 ZINC000757144826 582525902 /nfs/dbraw/zinc/52/59/02/582525902.db2.gz NVUGVRYWCDYTFG-CQSZACIVSA-N 1 0 237.343 2.206 10 0 BEAERO CCC[C@@H]1CC[NH2+]C2(CCSCC2)O1 ZINC000757146721 582530610 /nfs/dbraw/zinc/53/06/10/582530610.db2.gz LCIINYRSSFWPIP-SNVBAGLBSA-N 1 0 215.362 2.388 10 0 BEAERO CCC[C@@H]1CC[NH2+][C@]2(CCCSC2)O1 ZINC000757147647 582531348 /nfs/dbraw/zinc/53/13/48/582531348.db2.gz MNMKKRLHHCODJY-GHMZBOCLSA-N 1 0 215.362 2.388 10 0 BEAERO c1ccc(C[C@H]2CCO[C@]3(CCCOC3)[NH2+]2)cc1 ZINC000757148518 582533064 /nfs/dbraw/zinc/53/30/64/582533064.db2.gz NNRZFUYPKRJPFL-CABCVRRESA-N 1 0 247.338 2.114 10 0 BEAERO CC1(C)C[NH2+]C2(CCC2)O[C@]12CCCOC2 ZINC000757150079 582534071 /nfs/dbraw/zinc/53/40/71/582534071.db2.gz WTEFDWKRXGJAQW-LBPRGKRZSA-N 1 0 225.332 2.062 10 0 BEAERO COC[C@H]1CCOC2(CCCCCCC2)[NH2+]1 ZINC000757153808 582538934 /nfs/dbraw/zinc/53/89/34/582538934.db2.gz YYJQWPPEIXVBCB-GFCCVEGCSA-N 1 0 227.348 2.452 10 0 BEAERO C[C@H]1CC(C)(C)OC2(CCN(C3CC3)CC2)[NH2+]1 ZINC000757153820 582539134 /nfs/dbraw/zinc/53/91/34/582539134.db2.gz XUFKDKRSQAQGMW-NSHDSACASA-N 1 0 238.375 2.118 10 0 BEAERO Cc1cc(C[C@@H](O)CCC[NH3+])ccc1Cl ZINC000757155471 582540151 /nfs/dbraw/zinc/54/01/51/582540151.db2.gz CVRZNIUSMFMDPK-NSHDSACASA-N 1 0 227.735 2.291 10 0 BEAERO [NH3+][C@H]1CCOC[C@H]1SCc1ccc(Cl)o1 ZINC000757171606 582551192 /nfs/dbraw/zinc/55/11/92/582551192.db2.gz UVFIDVWSXTWAMS-DTWKUNHWSA-N 1 0 247.747 2.282 10 0 BEAERO [NH3+]CCOCCSCc1ccc(Cl)o1 ZINC000757171711 582551467 /nfs/dbraw/zinc/55/14/67/582551467.db2.gz VMURDYYHVHPURT-UHFFFAOYSA-N 1 0 235.736 2.142 10 0 BEAERO [NH3+]C[C@H](O)CCCSCc1ccc(Cl)o1 ZINC000757172742 582551943 /nfs/dbraw/zinc/55/19/43/582551943.db2.gz YXVZSBDMGFVNQV-MRVPVSSYSA-N 1 0 249.763 2.266 10 0 BEAERO CCc1ccc(CS[C@H]2CC[NH2+]C2)o1 ZINC000757172482 582551950 /nfs/dbraw/zinc/55/19/50/582551950.db2.gz XTCHNEVDPUYYPD-NSHDSACASA-N 1 0 211.330 2.437 10 0 BEAERO C[C@H]1C[C@H](c2cccc(C=O)c2)CC[NH2+]1 ZINC000757215163 582561150 /nfs/dbraw/zinc/56/11/50/582561150.db2.gz MSHMKSPJSRIZDJ-GXFFZTMASA-N 1 0 203.285 2.355 10 0 BEAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@H]1CC[C@@H](C)O1 ZINC000235377306 582570312 /nfs/dbraw/zinc/57/03/12/582570312.db2.gz QYXWRBVLRMVIJG-GMTAPVOTSA-N 1 0 221.304 2.116 10 0 BEAERO C[C@@H]([NH2+]Cc1cccnc1Cl)[C@H]1CCCO1 ZINC000105418376 582574495 /nfs/dbraw/zinc/57/44/95/582574495.db2.gz HRZVXAPWEZFSCN-MWLCHTKSSA-N 1 0 240.734 2.392 10 0 BEAERO C[C@@H](C[NH3+])c1noc(CCC(C)(C)C)n1 ZINC000300770476 582580397 /nfs/dbraw/zinc/58/03/97/582580397.db2.gz GCCIHRAHDINMEU-QMMMGPOBSA-N 1 0 211.309 2.111 10 0 BEAERO Cc1sccc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400593847 582584638 /nfs/dbraw/zinc/58/46/38/582584638.db2.gz ZDCWMQKOFPFOFT-SNVBAGLBSA-N 1 0 219.313 2.015 10 0 BEAERO Cc1ccsc1[C@@H]1CC[NH+]=C2N[C@@H](C)CN21 ZINC000235695595 582603244 /nfs/dbraw/zinc/60/32/44/582603244.db2.gz HMIGVBXZYRENPR-UWVGGRQHSA-N 1 0 235.356 2.151 10 0 BEAERO Nc1[nH+]ccn1Cc1ccc(F)cc1Cl ZINC000236347768 582652789 /nfs/dbraw/zinc/65/27/89/582652789.db2.gz SDWQTZSYRNFBAJ-UHFFFAOYSA-N 1 0 225.654 2.306 10 0 BEAERO Nc1[nH+]ccn1Cc1ccc(Cl)cc1 ZINC000037483168 582674925 /nfs/dbraw/zinc/67/49/25/582674925.db2.gz BNKOYJFRKZHPGH-UHFFFAOYSA-N 1 0 207.664 2.167 10 0 BEAERO CC(C)CCC[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000220260600 582694801 /nfs/dbraw/zinc/69/48/01/582694801.db2.gz KYVPLLNQSBIWKE-SNVBAGLBSA-N 1 0 207.321 2.423 10 0 BEAERO CC[C@@H]1CC[NH2+][C@@H](CC(=O)C2(Cl)CC2)C1 ZINC000702366374 582926082 /nfs/dbraw/zinc/92/60/82/582926082.db2.gz YHGBCJDPAJHICI-NXEZZACHSA-N 1 0 229.751 2.495 10 0 BEAERO C[C@@H](C(=O)C(F)(F)F)[C@@H]1CCCCC[NH2+]1 ZINC000702915482 582930006 /nfs/dbraw/zinc/93/00/06/582930006.db2.gz UPSRKQIHGWTUEX-SFYZADRCSA-N 1 0 223.238 2.286 10 0 BEAERO CC(C)N1CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397155378 583097898 /nfs/dbraw/zinc/09/78/98/583097898.db2.gz NKDANTHISUWJSX-CYBMUJFWSA-N 1 0 236.384 2.203 10 0 BEAERO CCn1cncc1[C@H]1[NH2+]CCc2sccc21 ZINC000397165289 583098567 /nfs/dbraw/zinc/09/85/67/583098567.db2.gz ZQUCHQFCGVRNQP-LBPRGKRZSA-N 1 0 233.340 2.200 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@]21CCCOCC1 ZINC000397282527 583099645 /nfs/dbraw/zinc/09/96/45/583099645.db2.gz HZSVQXVMRUATCY-GFCCVEGCSA-N 1 0 223.341 2.290 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CCC2OCCO2)o1 ZINC000126865062 583356336 /nfs/dbraw/zinc/35/63/36/583356336.db2.gz LDXMJWWSAFFJOD-SNVBAGLBSA-N 1 0 225.288 2.002 10 0 BEAERO CC[C@@H](C[NH3+])[C@H](O)c1ccc(Br)o1 ZINC000083564488 583572872 /nfs/dbraw/zinc/57/28/72/583572872.db2.gz ULUJMJLHLSPHDH-RCOVLWMOSA-N 1 0 248.120 2.060 10 0 BEAERO C[C@@H]1CC[C@H](C[NH2+]CCc2ccccc2)O1 ZINC000148375550 583923919 /nfs/dbraw/zinc/92/39/19/583923919.db2.gz FUYLEUHFYYUGOT-TZMCWYRMSA-N 1 0 219.328 2.386 10 0 BEAERO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C(C)C)C1 ZINC000227074648 584913839 /nfs/dbraw/zinc/91/38/39/584913839.db2.gz MLRVAWZETQIDFZ-QWHCGFSZSA-N 1 0 212.381 2.493 10 0 BEAERO CC(C)(Br)C1CC[NH2+]CC1 ZINC000203857902 585015745 /nfs/dbraw/zinc/01/57/45/585015745.db2.gz YTRXCBTWGHJOOX-UHFFFAOYSA-N 1 0 206.127 2.160 10 0 BEAERO c1csc([C@@H]2CCNc3[nH+]ccn32)c1 ZINC000232463019 585030927 /nfs/dbraw/zinc/03/09/27/585030927.db2.gz FDVHDFZLQVPPRC-QMMMGPOBSA-N 1 0 205.286 2.350 10 0 BEAERO CCC(CC)c1cc2nccc(C[NH3+])n2n1 ZINC000232870819 585032952 /nfs/dbraw/zinc/03/29/52/585032952.db2.gz GDVPMHMQAWIBIH-UHFFFAOYSA-N 1 0 218.304 2.092 10 0 BEAERO CC[C@H]1[NH2+][C@@H](c2ccc(OC)cc2)CCO1 ZINC000757139637 586427408 /nfs/dbraw/zinc/42/74/08/586427408.db2.gz HNTRMKYIJCEMHB-OLZOCXBDSA-N 1 0 221.300 2.482 10 0 BEAERO CC[C@H]1[NH2+][C@H](c2ccc(OC)cc2)CCO1 ZINC000757139640 586427764 /nfs/dbraw/zinc/42/77/64/586427764.db2.gz HNTRMKYIJCEMHB-STQMWFEESA-N 1 0 221.300 2.482 10 0 BEAERO [NH3+]C[C@@H]1CCN1Cc1cccc(F)c1Cl ZINC000757147224 586428820 /nfs/dbraw/zinc/42/88/20/586428820.db2.gz STYVGETYPXTAJM-VIFPVBQESA-N 1 0 228.698 2.012 10 0 BEAERO CCC[C@@H]1CC[NH2+][C@]2(CCCOCC2)O1 ZINC000757147348 586428868 /nfs/dbraw/zinc/42/88/68/586428868.db2.gz MDPVVNPGUTZSTF-VXGBXAGGSA-N 1 0 213.321 2.062 10 0 BEAERO [NH3+]C[C@H]1CCN1Cc1ccc(F)cc1Cl ZINC000757149266 586428924 /nfs/dbraw/zinc/42/89/24/586428924.db2.gz ZKRIRVXXQPJJSD-SNVBAGLBSA-N 1 0 228.698 2.012 10 0 BEAERO Cc1cc(CC2(O)CC([NH3+])C2)ccc1Cl ZINC000757156541 586430157 /nfs/dbraw/zinc/43/01/57/586430157.db2.gz IZBQPDNZNVSMNB-UHFFFAOYSA-N 1 0 225.719 2.043 10 0 BEAERO CC[NH2+]C[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757161466 586432190 /nfs/dbraw/zinc/43/21/90/586432190.db2.gz VPTIANJMALZXJE-NSHDSACASA-N 1 0 227.735 2.161 10 0 BEAERO CC(C)c1cccc2c1NC(=O)C[C@@H]2C[NH3+] ZINC000757175934 586433002 /nfs/dbraw/zinc/43/30/02/586433002.db2.gz NKPXTNKLHNBWRL-SECBINFHSA-N 1 0 218.300 2.195 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@@H]1c1cccc(C=O)c1 ZINC000757208049 586438065 /nfs/dbraw/zinc/43/80/65/586438065.db2.gz CCNZRDFIVIPZKG-MFKMUULPSA-N 1 0 203.285 2.212 10 0 BEAERO CC(=O)c1cccc([C@@H]2N[C@H](C)CC[C@H]2[NH3+])c1 ZINC000757212293 586439391 /nfs/dbraw/zinc/43/93/91/586439391.db2.gz HXFJYGIDPXQBIF-FZQKWOKYSA-N 1 0 232.327 2.030 10 0 BEAERO CC(=O)c1cccc([C@@H]2N[C@@H](C)CC[C@@H]2[NH3+])c1 ZINC000757212297 586439538 /nfs/dbraw/zinc/43/95/38/586439538.db2.gz HXFJYGIDPXQBIF-HERUPUMHSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN[C@H]1c1cccc2cc[nH]c21 ZINC000757218281 586441656 /nfs/dbraw/zinc/44/16/56/586441656.db2.gz UVPNDTQWTUYJTK-SUZMYJTESA-N 1 0 229.327 2.166 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1c1ccc(C=O)s1 ZINC000757217789 586441784 /nfs/dbraw/zinc/44/17/84/586441784.db2.gz SJGILBGZVUCIKP-PSASIEDQSA-N 1 0 209.314 2.416 10 0 BEAERO C[C@@H]1N[C@@H](c2cccc3cc[nH]c32)CC[C@@H]1[NH3+] ZINC000757218274 586441847 /nfs/dbraw/zinc/44/18/47/586441847.db2.gz UUIAZCQENYZUNX-TVYUQYBPSA-N 1 0 229.327 2.308 10 0 BEAERO C[C@H]1C[C@@]2(CC(=O)O[C@@H]2C[NH3+])CC(C)(C)C1 ZINC000757224706 586442841 /nfs/dbraw/zinc/44/28/41/586442841.db2.gz QTUNWBCWKGQAHE-GIPNMCIBSA-N 1 0 225.332 2.093 10 0 BEAERO [NH3+][C@H]1CCN[C@H](c2cscc2C(F)F)C1 ZINC000757232411 586443041 /nfs/dbraw/zinc/44/30/41/586443041.db2.gz IEDPIXRQHXVBFC-RCOVLWMOSA-N 1 0 232.299 2.438 10 0 BEAERO CCOc1cc(F)ccc1-c1ccc(C[NH3+])nn1 ZINC000757572685 586463066 /nfs/dbraw/zinc/46/30/66/586463066.db2.gz SSELLDAYSRMZCS-UHFFFAOYSA-N 1 0 247.273 2.140 10 0 BEAERO C[C@H]1C[N@H+](CC2(O)CCCCC2)CC(C)(C)O1 ZINC000106383870 588269503 /nfs/dbraw/zinc/26/95/03/588269503.db2.gz JODNHWGHBMXKRX-LBPRGKRZSA-N 1 0 241.375 2.181 10 0 BEAERO C[C@@H]1C[N@H+](CC2(O)CCCCC2)CCS1 ZINC000106386140 588269729 /nfs/dbraw/zinc/26/97/29/588269729.db2.gz ORQIACLGVRQEQE-LLVKDONJSA-N 1 0 229.389 2.119 10 0 BEAERO Cc1ccccc1-c1noc(CC[C@@H](C)[NH3+])n1 ZINC000109493765 588563550 /nfs/dbraw/zinc/56/35/50/588563550.db2.gz DNSZHRMIJJFWJG-SNVBAGLBSA-N 1 0 231.299 2.325 10 0 BEAERO CCN1CC[N@H+](CCC(=O)C(C)(C)C)C[C@@H]1C ZINC000110743768 588693030 /nfs/dbraw/zinc/69/30/30/588693030.db2.gz IOICTIMGWSROQM-LBPRGKRZSA-N 1 0 240.391 2.018 10 0 BEAERO CC1(C)Cc2cc(C[NH2+]C3(CO)CC3)ccc2O1 ZINC000120387772 589409099 /nfs/dbraw/zinc/40/90/99/589409099.db2.gz VWDKWOAZPNCHPR-UHFFFAOYSA-N 1 0 247.338 2.015 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c(C)o1 ZINC000121059594 589492261 /nfs/dbraw/zinc/49/22/61/589492261.db2.gz XKTKPJNTZCVYIC-AAEUAGOBSA-N 1 0 223.316 2.147 10 0 BEAERO Clc1ccc(NC[C@@H]2CCC[NH2+]C2)cn1 ZINC000122843614 589639063 /nfs/dbraw/zinc/63/90/63/589639063.db2.gz VYYVEDGPOIPMAG-SECBINFHSA-N 1 0 225.723 2.147 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123942354 589866500 /nfs/dbraw/zinc/86/65/00/589866500.db2.gz PDWPJBHMYPFYQL-SMDDNHRTSA-N 1 0 246.354 2.300 10 0 BEAERO CC[C@H]1CCCCC[N@@H+]1CCC1OCCO1 ZINC000124387128 589983564 /nfs/dbraw/zinc/98/35/64/589983564.db2.gz SMTCPTIZEMZOBZ-LBPRGKRZSA-N 1 0 227.348 2.404 10 0 BEAERO COCCC1(C[NH2+]Cc2ccoc2)CC1 ZINC000124597888 590061331 /nfs/dbraw/zinc/06/13/31/590061331.db2.gz QMKMVJUBCOMIGN-UHFFFAOYSA-N 1 0 209.289 2.186 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000124869695 590095666 /nfs/dbraw/zinc/09/56/66/590095666.db2.gz XZKKSKWOBXEQHN-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)[C@@H](O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000124923160 590101963 /nfs/dbraw/zinc/10/19/63/590101963.db2.gz HUKUQEBNXJDWOH-STQMWFEESA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCc1ccccc1 ZINC000020364214 590104534 /nfs/dbraw/zinc/10/45/34/590104534.db2.gz MMCKBFXELFGFLY-OLZOCXBDSA-N 1 0 248.370 2.122 10 0 BEAERO CSCC[C@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000125025529 590114394 /nfs/dbraw/zinc/11/43/94/590114394.db2.gz IBSZBOWCZXYWSJ-VIFPVBQESA-N 1 0 240.372 2.327 10 0 BEAERO CN(C/C(Cl)=C/Cl)C[C@@H]1CCCO1 ZINC000125994682 590203243 /nfs/dbraw/zinc/20/32/43/590203243.db2.gz WSVMIMMGXSZPOK-RDOCRHDPSA-N 1 0 224.131 2.416 10 0 BEAERO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccoc1 ZINC000126103283 590230670 /nfs/dbraw/zinc/23/06/70/590230670.db2.gz QYJLFGCTMIHODQ-GFCCVEGCSA-N 1 0 225.332 2.412 10 0 BEAERO CCSCC[C@H](C)[N@H+](C)CCC(C)=O ZINC000126812721 590459375 /nfs/dbraw/zinc/45/93/75/590459375.db2.gz JXWPXPSZKABMJI-JTQLQIEISA-N 1 0 217.378 2.429 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CCC2OCCO2)o1 ZINC000126865326 590476978 /nfs/dbraw/zinc/47/69/78/590476978.db2.gz LDXMJWWSAFFJOD-JTQLQIEISA-N 1 0 225.288 2.002 10 0 BEAERO CC(C)C[NH+](CC(C)C)CN1CCOC1=S ZINC000127468443 590678076 /nfs/dbraw/zinc/67/80/76/590678076.db2.gz GLHNQXMSEGPPQI-UHFFFAOYSA-N 1 0 244.404 2.175 10 0 BEAERO CC[C@@H](C[NH2+][C@H]1CCCSC1)N1CCCC1 ZINC000128243107 590950087 /nfs/dbraw/zinc/95/00/87/590950087.db2.gz ZWAAHAQILSCEIP-STQMWFEESA-N 1 0 242.432 2.346 10 0 BEAERO CCN(CC[NH2+][C@@H]1CCCSC1)C(C)C ZINC000128254742 590951660 /nfs/dbraw/zinc/95/16/60/590951660.db2.gz BHHMDUCRXPDADR-GFCCVEGCSA-N 1 0 230.421 2.202 10 0 BEAERO C[C@H]1C[C@H](CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC000211603429 591208010 /nfs/dbraw/zinc/20/80/10/591208010.db2.gz SEDVWISXOJNMEA-WDEREUQCSA-N 1 0 242.363 2.371 10 0 BEAERO CCSCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000129173618 591267031 /nfs/dbraw/zinc/26/70/31/591267031.db2.gz YHIPZSMDNLVPNB-NSHDSACASA-N 1 0 215.362 2.041 10 0 BEAERO Cc1ccc(O)c(C[NH2+]CCC2CCC2)n1 ZINC000130348801 591459214 /nfs/dbraw/zinc/45/92/14/591459214.db2.gz PTIZSTBUMWKJDC-UHFFFAOYSA-N 1 0 220.316 2.375 10 0 BEAERO CCCc1noc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC000131234191 591574221 /nfs/dbraw/zinc/57/42/21/591574221.db2.gz COKBBAZUHKEAMG-UHFFFAOYSA-N 1 0 229.283 2.292 10 0 BEAERO C[C@H]([NH2+]CCSC(F)(F)F)[C@H]1CCOC1 ZINC000132464353 591710616 /nfs/dbraw/zinc/71/06/16/591710616.db2.gz WDDZSJXQSYHSIP-YUMQZZPRSA-N 1 0 243.294 2.254 10 0 BEAERO CC(C)COCC[NH2+][C@H](C)c1cncs1 ZINC000132895236 591747193 /nfs/dbraw/zinc/74/71/93/591747193.db2.gz CNKGFNGLEODUSC-SNVBAGLBSA-N 1 0 228.361 2.466 10 0 BEAERO CCCCCCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000133697254 591847935 /nfs/dbraw/zinc/84/79/35/591847935.db2.gz RCVPBLWJTVYYLC-RYUDHWBXSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1cc2c(ncnc2NC[C@H]2CC[NH2+]C2)s1 ZINC000133810444 591859804 /nfs/dbraw/zinc/85/98/04/591859804.db2.gz JLZJJGYOYSRDMN-VIFPVBQESA-N 1 0 248.355 2.021 10 0 BEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[S@](C)=O ZINC000133806135 591860896 /nfs/dbraw/zinc/86/08/96/591860896.db2.gz PNFPAMITCKPMGK-YWPYICTPSA-N 1 0 231.405 2.169 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC[S@](C)=O)c(C)c1 ZINC000133837772 591861978 /nfs/dbraw/zinc/86/19/78/591861978.db2.gz GLWDOPSPEUQHLO-MLGOLLRUSA-N 1 0 239.384 2.333 10 0 BEAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccoc1 ZINC000134287949 591911308 /nfs/dbraw/zinc/91/13/08/591911308.db2.gz MCHQRKQZYZKXDV-LBPRGKRZSA-N 1 0 244.294 2.135 10 0 BEAERO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccoc1 ZINC000134287930 591911425 /nfs/dbraw/zinc/91/14/25/591911425.db2.gz MCHQRKQZYZKXDV-GFCCVEGCSA-N 1 0 244.294 2.135 10 0 BEAERO CC[C@@H](CCO)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000134394403 591923853 /nfs/dbraw/zinc/92/38/53/591923853.db2.gz IWUCATQYSMCHPX-STQMWFEESA-N 1 0 241.375 2.229 10 0 BEAERO C[C@H](CSC(C)(C)C)[NH2+]C1(CO)CC1 ZINC000134514195 591932770 /nfs/dbraw/zinc/93/27/70/591932770.db2.gz WDGFWGWYNSXUKR-SECBINFHSA-N 1 0 217.378 2.021 10 0 BEAERO c1cc(C[NH2+]CC[C@H]2CCCCO2)co1 ZINC000134671154 591946079 /nfs/dbraw/zinc/94/60/79/591946079.db2.gz OQHBCBSSMGBASE-GFCCVEGCSA-N 1 0 209.289 2.328 10 0 BEAERO Cc1nnc(C[NH2+][C@H](C)CC(C)C)s1 ZINC000134719677 591947622 /nfs/dbraw/zinc/94/76/22/591947622.db2.gz WNMKKRGYMMDLIY-MRVPVSSYSA-N 1 0 213.350 2.371 10 0 BEAERO CCSCCC[NH2+]Cc1nnc(C)s1 ZINC000134775673 591950148 /nfs/dbraw/zinc/95/01/48/591950148.db2.gz WQWFVWJPQJQQSX-UHFFFAOYSA-N 1 0 231.390 2.079 10 0 BEAERO O[C@@H](C[NH2+][C@@H]1CCCSC1)c1ccsc1 ZINC000134806762 591951344 /nfs/dbraw/zinc/95/13/44/591951344.db2.gz CYJGTTHCDMNUNI-MNOVXSKESA-N 1 0 243.397 2.267 10 0 BEAERO Cc1ncc(CC[NH2+][C@@H]2CCCSC2)s1 ZINC000134815384 591952352 /nfs/dbraw/zinc/95/23/52/591952352.db2.gz MABRMCFVPGVERL-SNVBAGLBSA-N 1 0 242.413 2.479 10 0 BEAERO CC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000215624003 591960924 /nfs/dbraw/zinc/96/09/24/591960924.db2.gz VHEVZFOSUYYRBL-QWRGUYRKSA-N 1 0 242.363 2.289 10 0 BEAERO C[C@@H](O)CC[NH2+]Cc1cncc2ccccc21 ZINC000135379460 592011085 /nfs/dbraw/zinc/01/10/85/592011085.db2.gz MOLGCASMCGUQCD-LLVKDONJSA-N 1 0 230.311 2.095 10 0 BEAERO CC[C@@](C)(CO)[NH2+]Cc1cncc2ccccc21 ZINC000135847249 592064595 /nfs/dbraw/zinc/06/45/95/592064595.db2.gz MWQYCJKDMGLYSA-HNNXBMFYSA-N 1 0 244.338 2.485 10 0 BEAERO Cc1cc(NCC(C)(C)C(C)C)nc(N)[nH+]1 ZINC000218913234 592192223 /nfs/dbraw/zinc/19/22/23/592192223.db2.gz ORMUWFAMBNAALU-UHFFFAOYSA-N 1 0 222.336 2.461 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccoc1)CC2 ZINC000219823502 592250891 /nfs/dbraw/zinc/25/08/91/592250891.db2.gz RNZQDLXWLBFAHO-KBPBESRZSA-N 1 0 235.327 2.407 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccoc1)CC2 ZINC000219823462 592250948 /nfs/dbraw/zinc/25/09/48/592250948.db2.gz RNZQDLXWLBFAHO-UONOGXRCSA-N 1 0 235.327 2.407 10 0 BEAERO CC1(C)COC[C@@H]1[NH2+][C@@H]1COc2ccccc21 ZINC000313020103 634438899 /nfs/dbraw/zinc/43/88/99/634438899.db2.gz ZZUSAORJZNNUNC-YPMHNXCESA-N 1 0 233.311 2.135 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCC(C)(C)C ZINC000313465882 634461780 /nfs/dbraw/zinc/46/17/80/634461780.db2.gz CJUKCNRCXWHTML-NEPJUHHUSA-N 1 0 240.391 2.317 10 0 BEAERO Cc1c(C[NH2+][C@@H](C)Cc2ccco2)cnn1C ZINC000093649605 634580614 /nfs/dbraw/zinc/58/06/14/634580614.db2.gz MXBTVBBIFVGNGH-JTQLQIEISA-N 1 0 233.315 2.042 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000336763025 635285172 /nfs/dbraw/zinc/28/51/72/635285172.db2.gz OTMIKLWKXVSORP-RVMXOQNASA-N 1 0 211.349 2.314 10 0 BEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)[C@@H](C)O ZINC000336753852 635286412 /nfs/dbraw/zinc/28/64/12/635286412.db2.gz HVZZTPUOBOBHLP-UMSGYPCISA-N 1 0 211.349 2.338 10 0 BEAERO CC(C)(C)C(=O)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000054026361 635328598 /nfs/dbraw/zinc/32/85/98/635328598.db2.gz RXNYTUJMCMDAFW-GFCCVEGCSA-N 1 0 241.375 2.229 10 0 BEAERO CCCCCC(C)(C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000094988669 635401273 /nfs/dbraw/zinc/40/12/73/635401273.db2.gz LFOSPSQYQPJSLW-GFCCVEGCSA-N 1 0 240.391 2.319 10 0 BEAERO CC1(C)C[C@@H]1c1noc(CC2([NH3+])CCC2)n1 ZINC000225479423 635409315 /nfs/dbraw/zinc/40/93/15/635409315.db2.gz SZXJOEFQCALFRN-MRVPVSSYSA-N 1 0 221.304 2.007 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000227748829 635452633 /nfs/dbraw/zinc/45/26/33/635452633.db2.gz OMKGZJSATQISAZ-WCQYABFASA-N 1 0 239.359 2.308 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123598229 635518662 /nfs/dbraw/zinc/51/86/62/635518662.db2.gz PJHMQCZGJRRINP-RKDXNWHRSA-N 1 0 225.254 2.486 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](CCCCF)C1 ZINC000308533431 631422361 /nfs/dbraw/zinc/42/23/61/631422361.db2.gz LMYHMMSLMXWXBO-NSHDSACASA-N 1 0 201.285 2.037 10 0 BEAERO CCCc1noc(-c2csc([C@@H](C)[NH3+])n2)n1 ZINC000085546959 631460928 /nfs/dbraw/zinc/46/09/28/631460928.db2.gz DWCGNWTYBXWTBN-ZCFIWIBFSA-N 1 0 238.316 2.165 10 0 BEAERO C[C@@H](Cc1ccccc1Cl)N[C@@H]1CC[NH2+]C1 ZINC000086726778 631471241 /nfs/dbraw/zinc/47/12/41/631471241.db2.gz SZDLGWSWJSWCRM-CMPLNLGQSA-N 1 0 238.762 2.223 10 0 BEAERO CSc1ccc(C[NH2+][C@H](C)[C@H](C)O)s1 ZINC000308714198 631532523 /nfs/dbraw/zinc/53/25/23/631532523.db2.gz AMKPRVLTGGXFGE-SFYZADRCSA-N 1 0 231.386 2.329 10 0 BEAERO C[C@H]1C[N@H+](C[C@H]2CCC=CO2)CCS1 ZINC000249044097 635687780 /nfs/dbraw/zinc/68/77/80/635687780.db2.gz VNWIBZRBLUIDNG-WDEREUQCSA-N 1 0 213.346 2.116 10 0 BEAERO COC1CC([NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000234699309 631666390 /nfs/dbraw/zinc/66/63/90/631666390.db2.gz MGVAGLWFPDNMEC-UHFFFAOYSA-N 1 0 235.327 2.276 10 0 BEAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](CC)C(C)C ZINC000042592625 631733805 /nfs/dbraw/zinc/73/38/05/631733805.db2.gz XQFOYFQGPGEIIY-CMPLNLGQSA-N 1 0 214.353 2.055 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C1CC(C(F)F)C1 ZINC000309018889 631801504 /nfs/dbraw/zinc/80/15/04/631801504.db2.gz VTCBSKNSFXQBKX-AMDVSUOASA-N 1 0 221.291 2.027 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000309074625 631836502 /nfs/dbraw/zinc/83/65/02/631836502.db2.gz IVFBXKDRMUEZMM-VOAKCMCISA-N 1 0 211.349 2.314 10 0 BEAERO CSC1(C[NH2+]CC(C)(C)O)CCCCC1 ZINC000235099728 631951547 /nfs/dbraw/zinc/95/15/47/631951547.db2.gz AARPKPJEXLDYNU-UHFFFAOYSA-N 1 0 231.405 2.413 10 0 BEAERO CSC1(CN[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000235096404 631953778 /nfs/dbraw/zinc/95/37/78/631953778.db2.gz JBDRABKHHVLREN-LLVKDONJSA-N 1 0 228.405 2.004 10 0 BEAERO CCc1ccc(-c2nc(CC[NH2+]C)no2)s1 ZINC000051850942 631965832 /nfs/dbraw/zinc/96/58/32/631965832.db2.gz AWKBPAAUSZAFOG-UHFFFAOYSA-N 1 0 237.328 2.122 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309237023 631975144 /nfs/dbraw/zinc/97/51/44/631975144.db2.gz XSQLUPFEGXHHFJ-WDEREUQCSA-N 1 0 208.280 2.499 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178693131 632031068 /nfs/dbraw/zinc/03/10/68/632031068.db2.gz KMCMGSOEMXTDHI-CHWSQXEVSA-N 1 0 241.451 2.491 10 0 BEAERO [NH2+]=C(NCC[C@@H]1CCCO1)NC1CCCCC1 ZINC000052047796 632056461 /nfs/dbraw/zinc/05/64/61/632056461.db2.gz LYSHKWQYWXGHSF-LBPRGKRZSA-N 1 0 239.363 2.002 10 0 BEAERO C[C@@H]1CN(c2nc(Cl)cs2)C[C@H]1[NH+](C)C ZINC000251885100 635706616 /nfs/dbraw/zinc/70/66/16/635706616.db2.gz VBXAELDTCSCWFU-HTQZYQBOSA-N 1 0 245.779 2.183 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccccc1Cl ZINC000052278484 632116875 /nfs/dbraw/zinc/11/68/75/632116875.db2.gz VAGHBYPTZWZZIR-FXAINCCUSA-N 1 0 225.719 2.371 10 0 BEAERO C[C@H](C[NH3+])c1noc(CC2CCCCC2)n1 ZINC000054158880 635776392 /nfs/dbraw/zinc/77/63/92/635776392.db2.gz QZLMLQRYUSCWKE-SECBINFHSA-N 1 0 223.320 2.255 10 0 BEAERO CCC[C@@H](C)Cc1nc([C@H](C)C[NH3+])no1 ZINC000309512501 632433522 /nfs/dbraw/zinc/43/35/22/632433522.db2.gz XTJWOJIOBRCEQP-RKDXNWHRSA-N 1 0 211.309 2.111 10 0 BEAERO C[C@@H](CNC(=O)C1CCC([NH3+])CC1)C(C)(C)C ZINC000162004640 632484983 /nfs/dbraw/zinc/48/49/83/632484983.db2.gz RCGRFWIMEISYMV-UNXYVOJBSA-N 1 0 240.391 2.302 10 0 BEAERO C[C@@H]([NH2+]C[C@@H](O)c1cccnc1)C(C)(C)C ZINC000309595890 632553931 /nfs/dbraw/zinc/55/39/31/632553931.db2.gz WEEVHTWLIDEJGI-ZYHUDNBSSA-N 1 0 222.332 2.139 10 0 BEAERO COc1ccsc1C[NH2+]C1CC(OC)C1 ZINC000308969451 632599588 /nfs/dbraw/zinc/59/95/88/632599588.db2.gz YDPZJZBPKKEBNN-UHFFFAOYSA-N 1 0 227.329 2.024 10 0 BEAERO C[C@@H]1C[C@H](c2nc([C@@H]3CC3(C)C)no2)CC[NH2+]1 ZINC000235376797 632682169 /nfs/dbraw/zinc/68/21/69/632682169.db2.gz GLLQOUZIBDAWMG-BBBLOLIVSA-N 1 0 235.331 2.439 10 0 BEAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H](C)O ZINC000309980038 632688944 /nfs/dbraw/zinc/68/89/44/632688944.db2.gz VTHHFJJSXNZRGG-XHHQTKHESA-N 1 0 239.281 2.466 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2nc3ccccc3[nH]2)C1 ZINC000310299695 632717120 /nfs/dbraw/zinc/71/71/20/632717120.db2.gz UBLPYMVHCXIRCQ-VHSXEESVSA-N 1 0 230.315 2.102 10 0 BEAERO CC1(C)[C@@H](O)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000310527509 632754475 /nfs/dbraw/zinc/75/44/75/632754475.db2.gz YJEBGOMAPOCUFX-OCCSQVGLSA-N 1 0 231.339 2.172 10 0 BEAERO CC1(C)[C@H](O)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000310527510 632754598 /nfs/dbraw/zinc/75/45/98/632754598.db2.gz YJEBGOMAPOCUFX-TZMCWYRMSA-N 1 0 231.339 2.172 10 0 BEAERO [NH2+]=C(NCCC1CCCCC1)NC1CC1 ZINC000052042343 632781236 /nfs/dbraw/zinc/78/12/36/632781236.db2.gz LWQNUYTWOLSALR-UHFFFAOYSA-N 1 0 209.337 2.233 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309237017 632831067 /nfs/dbraw/zinc/83/10/67/632831067.db2.gz XSQLUPFEGXHHFJ-GHMZBOCLSA-N 1 0 208.280 2.499 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000177756748 632875779 /nfs/dbraw/zinc/87/57/79/632875779.db2.gz XGQBFELWORHOPD-GFCCVEGCSA-N 1 0 226.440 2.034 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CCc2c(C)cccc2C1 ZINC000178115026 632946145 /nfs/dbraw/zinc/94/61/45/632946145.db2.gz DWFXFJMQJOLGKC-CQSZACIVSA-N 1 0 246.354 2.007 10 0 BEAERO COC[C@@H](C)C[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309405634 633022006 /nfs/dbraw/zinc/02/20/06/633022006.db2.gz AVPDPONBRSZRDO-GWCFXTLKSA-N 1 0 222.332 2.264 10 0 BEAERO C[C@H](c1nc(C[C@@H]2CCC[NH2+]C2)no1)C1CC1 ZINC000164053181 633069874 /nfs/dbraw/zinc/06/98/74/633069874.db2.gz VJTBBSLQXSUBKM-UWVGGRQHSA-N 1 0 235.331 2.125 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]CC12CCCCCCC2 ZINC000166531589 633115608 /nfs/dbraw/zinc/11/56/08/633115608.db2.gz PTWTYJQVCSVPDZ-LBPRGKRZSA-N 1 0 239.359 2.500 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1CC ZINC000166590433 633116836 /nfs/dbraw/zinc/11/68/36/633116836.db2.gz NQXVYGLSIFYHGB-KBPBESRZSA-N 1 0 247.338 2.115 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1c(C)cccc1C ZINC000166540697 633117536 /nfs/dbraw/zinc/11/75/36/633117536.db2.gz ZPWZROYOQSNQPD-OLZOCXBDSA-N 1 0 247.338 2.170 10 0 BEAERO C[C@H]([NH3+])CNc1nc2ccccc2s1 ZINC000081140829 633172409 /nfs/dbraw/zinc/17/24/09/633172409.db2.gz HNPGYPYSWHBKSR-ZETCQYMHSA-N 1 0 207.302 2.055 10 0 BEAERO COC1CC([NH2+]Cc2csc(C)c2)C1 ZINC000308625147 633778875 /nfs/dbraw/zinc/77/88/75/633778875.db2.gz VPNHDALDKAXSLR-UHFFFAOYSA-N 1 0 211.330 2.324 10 0 BEAERO c1cc2c([nH]1)CCC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000309333091 633897995 /nfs/dbraw/zinc/89/79/95/633897995.db2.gz IJAJDYQQLGHDAS-MFKMUULPSA-N 1 0 220.316 2.161 10 0 BEAERO C/C=C/C[C@H](CO)[NH2+]CCc1ccccc1 ZINC000309966043 634052629 /nfs/dbraw/zinc/05/26/29/634052629.db2.gz NNRJKZKBMAENMI-BAABZTOOSA-N 1 0 219.328 2.146 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cccc(F)n1 ZINC000162437234 634148827 /nfs/dbraw/zinc/14/88/27/634148827.db2.gz XWYPVSALEZMZHP-UWVGGRQHSA-N 1 0 223.295 2.150 10 0 BEAERO C[C@H]([NH2+]CCOC1CCOCC1)c1ccco1 ZINC000053591083 634256827 /nfs/dbraw/zinc/25/68/27/634256827.db2.gz YHWJLMPEWAZPPX-NSHDSACASA-N 1 0 239.315 2.126 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)C(C)(C)C ZINC000162746017 634332089 /nfs/dbraw/zinc/33/20/89/634332089.db2.gz KRQWSHHYSYGRQD-GHMZBOCLSA-N 1 0 228.380 2.158 10 0 BEAERO Cc1cc(Cl)ccc1NC(=O)C1CC([NH3+])C1 ZINC000258848455 635212773 /nfs/dbraw/zinc/21/27/73/635212773.db2.gz XMNMVHPXOXHUOW-UHFFFAOYSA-N 1 0 238.718 2.324 10 0 BEAERO CCSc1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000259167269 635246664 /nfs/dbraw/zinc/24/66/64/635246664.db2.gz VRAHUUSTGFFEBB-GFCCVEGCSA-N 1 0 236.384 2.250 10 0 BEAERO Cc1ccc(C[NH2+]CCc2c(C)nn(C)c2C)o1 ZINC000126248003 635720382 /nfs/dbraw/zinc/72/03/82/635720382.db2.gz XBVSKVPXARKUNC-UHFFFAOYSA-N 1 0 247.342 2.271 10 0 BEAERO Cc1ccc2cc(C[NH2+][C@H](C)[C@@H](C)O)ccc2n1 ZINC000342184664 636327948 /nfs/dbraw/zinc/32/79/48/636327948.db2.gz CUQFZUDSPDDJEL-VXGBXAGGSA-N 1 0 244.338 2.402 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000342186900 636328324 /nfs/dbraw/zinc/32/83/24/636328324.db2.gz FFRHWOWWBPWSOK-GHMZBOCLSA-N 1 0 249.354 2.259 10 0 BEAERO CCCCC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291482 636338610 /nfs/dbraw/zinc/33/86/10/636338610.db2.gz HLIYLWAVXOQYFR-OLZOCXBDSA-N 1 0 240.391 2.461 10 0 BEAERO C[C@@H]1C[C@@H](N[C@H]2COc3ccccc32)CC[N@@H+]1C ZINC000252136127 636766954 /nfs/dbraw/zinc/76/69/54/636766954.db2.gz MORVBRDGKFHSKX-DYEKYZERSA-N 1 0 246.354 2.192 10 0 BEAERO CC(C)c1nccn1CCC[NH2+]C1CC1 ZINC000042410217 637231162 /nfs/dbraw/zinc/23/11/62/637231162.db2.gz VPVVVYYFFOWUPO-UHFFFAOYSA-N 1 0 207.321 2.149 10 0 BEAERO Cc1cc(N(C)Cc2ccccc2C)nc(N)[nH+]1 ZINC000043532589 638517287 /nfs/dbraw/zinc/51/72/87/638517287.db2.gz NZPRKKIUJSPEDN-UHFFFAOYSA-N 1 0 242.326 2.312 10 0 BEAERO Cc1cc(N[C@H]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000043532293 638525591 /nfs/dbraw/zinc/52/55/91/638525591.db2.gz HDYAUZPFJDOXNF-SCZZXKLOSA-N 1 0 220.320 2.358 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)O)c(F)c1 ZINC000348310556 638998138 /nfs/dbraw/zinc/99/81/38/638998138.db2.gz CGSVYWCEVLVNOJ-UTLUCORTSA-N 1 0 241.306 2.254 10 0 BEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)[C@H](C)O ZINC000348334083 639051060 /nfs/dbraw/zinc/05/10/60/639051060.db2.gz ZZULCZPYIMIONN-PGUXBMHVSA-N 1 0 249.354 2.432 10 0 BEAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)[C@H](C)O ZINC000348334085 639051709 /nfs/dbraw/zinc/05/17/09/639051709.db2.gz ZZULCZPYIMIONN-ZETOZRRWSA-N 1 0 249.354 2.432 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000348398820 639140068 /nfs/dbraw/zinc/14/00/68/639140068.db2.gz KDAQFLMHSXEMTD-DGWNVUOJSA-N 1 0 237.318 2.431 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)O)CCC2 ZINC000348422062 639162637 /nfs/dbraw/zinc/16/26/37/639162637.db2.gz SBSWXHCXDILKIQ-ZIBATOQPSA-N 1 0 249.354 2.432 10 0 BEAERO CC[C@H]([NH2+]C)c1nc(-c2cccs2)nn1C ZINC000054699883 640321608 /nfs/dbraw/zinc/32/16/08/640321608.db2.gz ZGJAERDGYKESCJ-QMMMGPOBSA-N 1 0 236.344 2.214 10 0 BEAERO CC[C@@H]([NH2+]C)c1nc(C2CCCC2)nn1C ZINC000054699279 640321862 /nfs/dbraw/zinc/32/18/62/640321862.db2.gz NHKFBAPHHVLYKY-SNVBAGLBSA-N 1 0 222.336 2.143 10 0 BEAERO C[C@@H]([NH2+]Cc1cncnc1)c1cccs1 ZINC000054767145 640408013 /nfs/dbraw/zinc/40/80/13/640408013.db2.gz OTXVJASWRZYQTE-SECBINFHSA-N 1 0 219.313 2.389 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccoc1 ZINC000165412353 640576438 /nfs/dbraw/zinc/57/64/38/640576438.db2.gz OFNKTJJGDZVQGC-QWHCGFSZSA-N 1 0 223.316 2.430 10 0 BEAERO Cc1cccc(CNc2cc(C)[nH+]c(N)n2)c1 ZINC000045726047 640654347 /nfs/dbraw/zinc/65/43/47/640654347.db2.gz OGIWSFOOWRCIPU-UHFFFAOYSA-N 1 0 228.299 2.288 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]CC12C[C@@H](C)C[C@H](C)C2 ZINC000166607270 640656405 /nfs/dbraw/zinc/65/64/05/640656405.db2.gz RRFIMJOKXXIULI-SRVKXCTJSA-N 1 0 239.359 2.211 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698696 640710688 /nfs/dbraw/zinc/71/06/88/640710688.db2.gz ABDNFRBMZPXXPK-BDAKNGLRSA-N 1 0 224.352 2.159 10 0 BEAERO CC(C)OC[C@H](O)C[NH2+]CC1CCC(C)CC1 ZINC000058864670 640753008 /nfs/dbraw/zinc/75/30/08/640753008.db2.gz RJGSVIFHLCLRTI-JXQTWKCFSA-N 1 0 243.391 2.188 10 0 BEAERO Cc1ccc(OCC[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227567537 640840016 /nfs/dbraw/zinc/84/00/16/640840016.db2.gz HYABFOUFPNRMFC-AWEZNQCLSA-N 1 0 249.354 2.078 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@H](C)C(C)(C)C ZINC000227895623 640852630 /nfs/dbraw/zinc/85/26/30/640852630.db2.gz WPNOXIHSINQVRM-QWHCGFSZSA-N 1 0 245.407 2.436 10 0 BEAERO CC[C@H](C)c1noc(C[C@@H]([NH3+])CC(C)C)n1 ZINC000087527036 640909704 /nfs/dbraw/zinc/90/97/04/640909704.db2.gz YGVFBJBWPSQBFY-UWVGGRQHSA-N 1 0 225.336 2.499 10 0 BEAERO C1CS[C@H](c2noc([C@H]3CCC[NH2+]C3)n2)C1 ZINC000087699851 640977636 /nfs/dbraw/zinc/97/76/36/640977636.db2.gz QJRLQTHGTXLWND-IUCAKERBSA-N 1 0 239.344 2.105 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](CO)CCc1ccccc1 ZINC000061625888 640978884 /nfs/dbraw/zinc/97/88/84/640978884.db2.gz SZQCJGWCIOBDFW-GXTWGEPZSA-N 1 0 221.344 2.368 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H](CO)CCc1ccccc1 ZINC000061625887 640979183 /nfs/dbraw/zinc/97/91/83/640979183.db2.gz SZQCJGWCIOBDFW-TZMCWYRMSA-N 1 0 221.344 2.368 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](CNCc2ccoc2)C1 ZINC000062103835 641021298 /nfs/dbraw/zinc/02/12/98/641021298.db2.gz SKJXXDUXEGJDML-GFCCVEGCSA-N 1 0 222.332 2.100 10 0 BEAERO CCCCCC[C@@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062114003 641021399 /nfs/dbraw/zinc/02/13/99/641021399.db2.gz FUCJNEPSGDIDOH-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@@H](CNCc1ccoc1)C[NH+]1CCCC1 ZINC000062103677 641021736 /nfs/dbraw/zinc/02/17/36/641021736.db2.gz WQOAVWZXCQLALC-LBPRGKRZSA-N 1 0 222.332 2.101 10 0 BEAERO COC[C@@H](C)C[NH2+][C@H](C)Cc1ccco1 ZINC000062772078 641089110 /nfs/dbraw/zinc/08/91/10/641089110.db2.gz OYOMYPRYVUICGO-WDEREUQCSA-N 1 0 211.305 2.083 10 0 BEAERO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000134290191 711498353 /nfs/dbraw/zinc/49/83/53/711498353.db2.gz IYTZMLJZRSCLNN-SKDRFNHKSA-N 1 0 237.347 2.036 10 0 BEAERO CC(C)C[C@H]([NH3+])Cc1nc([C@H]2CC2(C)C)no1 ZINC000232604653 641303387 /nfs/dbraw/zinc/30/33/87/641303387.db2.gz JYHHREMEBCQOBE-VHSXEESVSA-N 1 0 237.347 2.499 10 0 BEAERO c1cc2c(s1)[C@H](c1cccnc1)[NH2+]CC2 ZINC000084483333 641358895 /nfs/dbraw/zinc/35/88/95/641358895.db2.gz BHMPREZFTBOBBR-NSHDSACASA-N 1 0 216.309 2.378 10 0 BEAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000723108351 711504264 /nfs/dbraw/zinc/50/42/64/711504264.db2.gz YKULYEZRFWJGRL-UPJWGTAASA-N 1 0 209.333 2.334 10 0 BEAERO CC[NH2+]CC(=O)N[C@H](C)c1ccccc1Cl ZINC000044286275 641593006 /nfs/dbraw/zinc/59/30/06/641593006.db2.gz XPPXINYZHRDLBL-SECBINFHSA-N 1 0 240.734 2.127 10 0 BEAERO CC[NH2+]CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000044286279 641593684 /nfs/dbraw/zinc/59/36/84/641593684.db2.gz KPDQGJZOEKJGBR-VIFPVBQESA-N 1 0 240.734 2.127 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089385569 641672468 /nfs/dbraw/zinc/67/24/68/641672468.db2.gz FDHBVMBVEMZZDO-QWHCGFSZSA-N 1 0 240.391 2.400 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NC1CCCCC1 ZINC000089385505 641673802 /nfs/dbraw/zinc/67/38/02/641673802.db2.gz MZOSSLLNNNFQMJ-YPMHNXCESA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NC1CCCCC1 ZINC000089385506 641674349 /nfs/dbraw/zinc/67/43/49/641674349.db2.gz MZOSSLLNNNFQMJ-WCQYABFASA-N 1 0 238.375 2.200 10 0 BEAERO CN(C(=O)[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000089385526 641674891 /nfs/dbraw/zinc/67/48/91/641674891.db2.gz MSKFLPBNIQKMOS-GXTWGEPZSA-N 1 0 246.354 2.415 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)s1 ZINC000049185475 641712421 /nfs/dbraw/zinc/71/24/21/641712421.db2.gz DBPUTHNUUAAJSS-NXEZZACHSA-N 1 0 240.372 2.361 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccoc2)no1 ZINC000089431341 641733974 /nfs/dbraw/zinc/73/39/74/641733974.db2.gz KPVNULCEJSDTAD-WPRPVWTQSA-N 1 0 233.271 2.172 10 0 BEAERO CC(C)Oc1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000213283118 641762721 /nfs/dbraw/zinc/76/27/21/641762721.db2.gz KRESMHMGRBQILH-UHFFFAOYSA-N 1 0 245.326 2.333 10 0 BEAERO CC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000075905337 641779411 /nfs/dbraw/zinc/77/94/11/641779411.db2.gz XKNYRPQFFIONPD-CYBMUJFWSA-N 1 0 203.285 2.356 10 0 BEAERO CC1(C)C[C@H]1c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000232861197 641884906 /nfs/dbraw/zinc/88/49/06/641884906.db2.gz FOQOXNKCTNISBR-ZJUUUORDSA-N 1 0 235.331 2.125 10 0 BEAERO CCc1cc(N2CCC[C@@H](C(C)=O)C2)cc[nH+]1 ZINC000307794618 642311788 /nfs/dbraw/zinc/31/17/88/642311788.db2.gz JLFCLCZJINQEAB-GFCCVEGCSA-N 1 0 232.327 2.449 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000306370083 642741876 /nfs/dbraw/zinc/74/18/76/642741876.db2.gz KQGUPZRHCAOXAP-GFCCVEGCSA-N 1 0 209.333 2.478 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC2OCCO2)cc1F ZINC000180263586 642782185 /nfs/dbraw/zinc/78/21/85/642782185.db2.gz YDPIOCUWFWYCEH-JTQLQIEISA-N 1 0 239.290 2.158 10 0 BEAERO C[C@@H](NC(=O)c1cccc(C[NH3+])c1)C1CCCC1 ZINC000070305081 643014138 /nfs/dbraw/zinc/01/41/38/643014138.db2.gz GQLGENZIAGLCNY-LLVKDONJSA-N 1 0 246.354 2.454 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000183154487 643093630 /nfs/dbraw/zinc/09/36/30/643093630.db2.gz ABIDIGMWKRZYAV-QMTHXVAHSA-N 1 0 248.301 2.354 10 0 BEAERO CCCc1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000071001606 643094318 /nfs/dbraw/zinc/09/43/18/643094318.db2.gz RJZARWHCQZYYIN-PSASIEDQSA-N 1 0 211.309 2.109 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1cc(F)ccc1F ZINC000071299267 643125648 /nfs/dbraw/zinc/12/56/48/643125648.db2.gz AYHNTYZMJCVURB-ISVAXAHUSA-N 1 0 241.281 2.386 10 0 BEAERO [NH3+][C@H]1CCc2nc(-c3ccccn3)sc2C1 ZINC000071535428 643151612 /nfs/dbraw/zinc/15/16/12/643151612.db2.gz VWUNCCSLUVGGAZ-QMMMGPOBSA-N 1 0 231.324 2.021 10 0 BEAERO CCC[C@H](OC)c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000253181322 643172720 /nfs/dbraw/zinc/17/27/20/643172720.db2.gz UIGJYUIHZXNVCG-GUBZILKMSA-N 1 0 239.319 2.152 10 0 BEAERO C[C@H]1CC[NH2+]C2(CCC(F)(F)CC2)O1 ZINC000757143507 643307870 /nfs/dbraw/zinc/30/78/70/643307870.db2.gz NDZRICIYMPCGNJ-QMMMGPOBSA-N 1 0 205.248 2.290 10 0 BEAERO [NH3+]Cc1cc(-c2cscn2)ccc1F ZINC000306466377 643326699 /nfs/dbraw/zinc/32/66/99/643326699.db2.gz JKWGQNJJMCHPNW-UHFFFAOYSA-N 1 0 208.261 2.408 10 0 BEAERO Cc1cc(C[C@@H](O)C[NH+](C)C)ccc1Cl ZINC000757149462 643335771 /nfs/dbraw/zinc/33/57/71/643335771.db2.gz CZJKAZVFFWHFSK-LLVKDONJSA-N 1 0 227.735 2.113 10 0 BEAERO Cc1cc(CN2CC(C[NH3+])C2)ccc1Cl ZINC000757154436 643346362 /nfs/dbraw/zinc/34/63/62/643346362.db2.gz ZBLWBMQWFBTTDN-UHFFFAOYSA-N 1 0 224.735 2.039 10 0 BEAERO Clc1ccc(CSCC2C[NH2+]C2)o1 ZINC000757171442 643353612 /nfs/dbraw/zinc/35/36/12/643353612.db2.gz TYDOLIQEOVLWEJ-UHFFFAOYSA-N 1 0 217.721 2.386 10 0 BEAERO CC(C)[C@H]1C[NH2+]CCN1c1cccc(Cl)n1 ZINC000083367680 643441959 /nfs/dbraw/zinc/44/19/59/643441959.db2.gz XRUHOROCQWQQCX-SNVBAGLBSA-N 1 0 239.750 2.169 10 0 BEAERO Cc1cc2c(ncnc2NC[C@@H](C)C[NH3+])s1 ZINC000083387571 643443144 /nfs/dbraw/zinc/44/31/44/643443144.db2.gz XJCXNFHCJSTFPJ-ZETCQYMHSA-N 1 0 236.344 2.006 10 0 BEAERO CCc1ncnc(NCCCCCC[NH3+])c1F ZINC000234166244 643550304 /nfs/dbraw/zinc/55/03/04/643550304.db2.gz IEHCTBTZUDKHPC-UHFFFAOYSA-N 1 0 240.326 2.109 10 0 BEAERO CC1(C)C[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000045116795 643551557 /nfs/dbraw/zinc/55/15/57/643551557.db2.gz WIVRLYABDFBEEG-ZDUSSCGKSA-N 1 0 242.326 2.155 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000049948617 643563624 /nfs/dbraw/zinc/56/36/24/643563624.db2.gz VRIDZBMQGBWIGH-RYUDHWBXSA-N 1 0 249.310 2.072 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000049948851 643564276 /nfs/dbraw/zinc/56/42/76/643564276.db2.gz PTZILLJBNQEQCG-MNOVXSKESA-N 1 0 215.362 2.039 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1F ZINC000049948759 643564474 /nfs/dbraw/zinc/56/44/74/643564474.db2.gz WKHBOKZVTYQEMC-OLZOCXBDSA-N 1 0 223.291 2.483 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000049948903 643564577 /nfs/dbraw/zinc/56/45/77/643564577.db2.gz DUQTUTBJAPTJAF-MNOVXSKESA-N 1 0 211.330 2.405 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000049948867 643564940 /nfs/dbraw/zinc/56/49/40/643564940.db2.gz STQICBHDIQNYKS-MNOVXSKESA-N 1 0 211.330 2.405 10 0 BEAERO Cc1cc(N[C@@H]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000046484553 643573886 /nfs/dbraw/zinc/57/38/86/643573886.db2.gz LMQNDUWWLHXYCW-WCBMZHEXSA-N 1 0 220.320 2.358 10 0 BEAERO CCN(C(=O)CCC[NH2+]C)c1ccc(C)cc1 ZINC000049989015 643575979 /nfs/dbraw/zinc/57/59/79/643575979.db2.gz CMEQVIYZLCRPGC-UHFFFAOYSA-N 1 0 234.343 2.348 10 0 BEAERO Cc1cc(C[NH2+]C(C)(C)CO)c2ccccc2n1 ZINC000083662484 643604790 /nfs/dbraw/zinc/60/47/90/643604790.db2.gz LMZOKAGRKHULEW-UHFFFAOYSA-N 1 0 244.338 2.404 10 0 BEAERO CC[C@@H](C)c1noc(CC2([NH3+])CCC2)n1 ZINC000086852522 643640371 /nfs/dbraw/zinc/64/03/71/643640371.db2.gz BGXXUMWOANVTOK-MRVPVSSYSA-N 1 0 209.293 2.007 10 0 BEAERO Cc1cscc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000086816891 643641331 /nfs/dbraw/zinc/64/13/31/643641331.db2.gz DJKVEZJTMYURFZ-LURJTMIESA-N 1 0 223.301 2.169 10 0 BEAERO CC(C)c1ccc2c(c1)[C@H](C[NH3+])CC(=O)N2 ZINC000084010665 643643442 /nfs/dbraw/zinc/64/34/42/643643442.db2.gz OZZSLNYCOOJYBS-JTQLQIEISA-N 1 0 218.300 2.195 10 0 BEAERO [NH3+]C[C@H](NC1CC1)c1ccc(Cl)cc1 ZINC000050271162 643672636 /nfs/dbraw/zinc/67/26/36/643672636.db2.gz OBUAQINKWUMVIY-NSHDSACASA-N 1 0 210.708 2.092 10 0 BEAERO CC(C)[C@@H](C)[C@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000307274180 643676027 /nfs/dbraw/zinc/67/60/27/643676027.db2.gz MJFPHLGXBDGXKH-ZJUUUORDSA-N 1 0 230.352 2.131 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000050368582 643691508 /nfs/dbraw/zinc/69/15/08/643691508.db2.gz JAQJOHDPJHDRBP-NEPJUHHUSA-N 1 0 249.310 2.072 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]CCc1scnc1C ZINC000050372624 643692591 /nfs/dbraw/zinc/69/25/91/643692591.db2.gz ZYHBQIUEBACBFI-MNOVXSKESA-N 1 0 240.372 2.151 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000050375786 643692976 /nfs/dbraw/zinc/69/29/76/643692976.db2.gz LLMCXTRPQLTPTH-UONOGXRCSA-N 1 0 234.343 2.256 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000050375787 643693578 /nfs/dbraw/zinc/69/35/78/643693578.db2.gz LLMCXTRPQLTPTH-KBPBESRZSA-N 1 0 234.343 2.256 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C2C(C)(C)C2(C)C)n1 ZINC000085710763 643790436 /nfs/dbraw/zinc/79/04/36/643790436.db2.gz SZMHDZVLWIASKA-ZETCQYMHSA-N 1 0 223.320 2.281 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(C2CC2)no1 ZINC000084300338 644422649 /nfs/dbraw/zinc/42/26/49/644422649.db2.gz SBGNIQYYRJHKRJ-VHSXEESVSA-N 1 0 221.304 2.180 10 0 BEAERO CCCc1noc([C@@H]2C[NH2+]Cc3ccccc32)n1 ZINC000087611710 644499118 /nfs/dbraw/zinc/49/91/18/644499118.db2.gz KCXAKZHDVGKKBP-GFCCVEGCSA-N 1 0 243.310 2.257 10 0 BEAERO CCCCCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089388541 644546790 /nfs/dbraw/zinc/54/67/90/644546790.db2.gz AXDOQLYNVBQGMG-OLZOCXBDSA-N 1 0 240.391 2.448 10 0 BEAERO CCCCCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089388546 644548287 /nfs/dbraw/zinc/54/82/87/644548287.db2.gz AXDOQLYNVBQGMG-STQMWFEESA-N 1 0 240.391 2.448 10 0 BEAERO CC(C)CCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089393496 644548538 /nfs/dbraw/zinc/54/85/38/644548538.db2.gz DLRTXQCGSLFQNG-OLZOCXBDSA-N 1 0 240.391 2.304 10 0 BEAERO C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000252215201 644843263 /nfs/dbraw/zinc/84/32/63/644843263.db2.gz XLGZMUKWXKZXEM-FRRDWIJNSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757123154 644864131 /nfs/dbraw/zinc/86/41/31/644864131.db2.gz ABEOGXPKNRLEJC-AWEZNQCLSA-N 1 0 222.376 2.203 10 0 BEAERO [NH3+][C@H]1CC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000097092254 644870566 /nfs/dbraw/zinc/87/05/66/644870566.db2.gz GPTNJXNHECNTNE-NEPJUHHUSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCC1CC1 ZINC000253081351 644934208 /nfs/dbraw/zinc/93/42/08/644934208.db2.gz WFXQHBJPFIBXPL-OCCSQVGLSA-N 1 0 222.376 2.345 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2ccco2)n1 ZINC000112716497 645512743 /nfs/dbraw/zinc/51/27/43/645512743.db2.gz SGWQWWSBLJRCSO-LLVKDONJSA-N 1 0 246.310 2.409 10 0 BEAERO CCCC[C@H](C)c1nc(CC[NH2+]C)no1 ZINC000300957076 645899738 /nfs/dbraw/zinc/89/97/38/645899738.db2.gz PUOWZVFJINKMSI-VIFPVBQESA-N 1 0 211.309 2.125 10 0 BEAERO C[C@]1(O)CCC[N@H+](CCSC(F)(F)F)C1 ZINC000123715048 645920697 /nfs/dbraw/zinc/92/06/97/645920697.db2.gz YCYYJOGQQHPOIQ-QMMMGPOBSA-N 1 0 243.294 2.086 10 0 BEAERO [NH3+]CCCCCCNc1nc(C2CC2)ns1 ZINC000236172965 711672385 /nfs/dbraw/zinc/67/23/85/711672385.db2.gz YBONICBELCRREE-UHFFFAOYSA-N 1 0 240.376 2.347 10 0 BEAERO Cc1[nH+]ccc(NC[C@H]2CCC[C@H]2O)c1Cl ZINC000335557941 711686017 /nfs/dbraw/zinc/68/60/17/711686017.db2.gz YZJRXFCIMZELKG-MWLCHTKSSA-N 1 0 240.734 2.038 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCOC1CCCCC1 ZINC000701326271 712020541 /nfs/dbraw/zinc/02/05/41/712020541.db2.gz IHINMYYAFGKWQD-GXTWGEPZSA-N 1 0 241.375 2.181 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@]1(C)CC1(C)C ZINC000702403501 712050929 /nfs/dbraw/zinc/05/09/29/712050929.db2.gz GQFZDNSMXIYSKO-GXFFZTMASA-N 1 0 213.365 2.419 10 0 BEAERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)OC1 ZINC000711376897 712296231 /nfs/dbraw/zinc/29/62/31/712296231.db2.gz LMIBLCZFTKZQDK-JHJVBQTASA-N 1 0 241.375 2.085 10 0 BEAERO C=C/C=C/CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000713645849 712468313 /nfs/dbraw/zinc/46/83/13/712468313.db2.gz UXHPIJQNPJRXDO-PYDIIWFVSA-N 1 0 221.344 2.212 10 0 BEAERO C=C/C=C/CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000713742867 712471049 /nfs/dbraw/zinc/47/10/49/712471049.db2.gz COWNLAIEWBTRFG-RDFMZFSFSA-N 1 0 220.360 2.289 10 0 BEAERO COCC1CC([NH2+]Cc2sc(C)nc2C)C1 ZINC000713930756 712473796 /nfs/dbraw/zinc/47/37/96/712473796.db2.gz NHLBBOOJSWRTNR-UHFFFAOYSA-N 1 0 240.372 2.275 10 0 BEAERO COCC1CC([NH2+]Cc2nc(C)c(C)s2)C1 ZINC000713982969 712476050 /nfs/dbraw/zinc/47/60/50/712476050.db2.gz MAKUISVXICZIAA-UHFFFAOYSA-N 1 0 240.372 2.275 10 0 BEAERO COCC1CC([NH2+]Cc2ccc(Cl)o2)C1 ZINC000714005490 712477157 /nfs/dbraw/zinc/47/71/57/712477157.db2.gz CGYFHMCHFMYADW-UHFFFAOYSA-N 1 0 229.707 2.448 10 0 BEAERO COCC1CC([NH2+]CCc2ccccc2)C1 ZINC000714007784 712477472 /nfs/dbraw/zinc/47/74/72/712477472.db2.gz PGLOCBNZFMBLBL-UHFFFAOYSA-N 1 0 219.328 2.244 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715529125 712526193 /nfs/dbraw/zinc/52/61/93/712526193.db2.gz DGRVGSOAJOLMFL-ZRJCITRHSA-N 1 0 223.360 2.125 10 0 BEAERO CCCC[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715841219 712532892 /nfs/dbraw/zinc/53/28/92/712532892.db2.gz HVSUKOPBLYORNP-NXEZZACHSA-N 1 0 210.325 2.044 10 0 BEAERO CC(C)CC[C@H]([NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716683847 712569813 /nfs/dbraw/zinc/56/98/13/712569813.db2.gz KVQUSHGSWWJUCU-BPCQOVAHSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(C(N)=O)C1 ZINC000716706079 712570518 /nfs/dbraw/zinc/57/05/18/712570518.db2.gz LXCALYLYUZFSMA-OKZRHMCRSA-N 1 0 238.375 2.056 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)C)n(C)n1 ZINC000380026428 712683276 /nfs/dbraw/zinc/68/32/76/712683276.db2.gz PFKNSVVTINIOCH-QWRGUYRKSA-N 1 0 209.337 2.424 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CCCC(C)(F)F)C1 ZINC000718704688 712777751 /nfs/dbraw/zinc/77/77/51/712777751.db2.gz ROJWRKNMGOWPAI-UWVGGRQHSA-N 1 0 221.291 2.125 10 0 BEAERO CCN(C)C(=O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719221903 712799954 /nfs/dbraw/zinc/79/99/54/712799954.db2.gz OATKDAWWJOEEJR-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO COC[C@@H](CCO)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719236386 712800701 /nfs/dbraw/zinc/80/07/01/712800701.db2.gz JYQBKYSJBHGGOC-CHWSQXEVSA-N 1 0 243.391 2.332 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]CCCOCCO ZINC000719238958 712800704 /nfs/dbraw/zinc/80/07/04/712800704.db2.gz PTWVUFRZQSBEHA-CYBMUJFWSA-N 1 0 243.391 2.334 10 0 BEAERO CNC(=O)CCC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719248359 712801229 /nfs/dbraw/zinc/80/12/29/712801229.db2.gz AGWCPUIOCJKOHY-GFCCVEGCSA-N 1 0 240.391 2.461 10 0 BEAERO C[NH2+]CCCCc1nc([C@@H]2CC2(C)C)no1 ZINC000719672452 712818650 /nfs/dbraw/zinc/81/86/50/712818650.db2.gz DWVLVPJXBWYCNY-VIFPVBQESA-N 1 0 223.320 2.125 10 0 BEAERO CSC1CCC(C[NH2+]CC(C)(C)O)CC1 ZINC000720574104 712852551 /nfs/dbraw/zinc/85/25/51/712852551.db2.gz OMMDSZFPFBSMSJ-UHFFFAOYSA-N 1 0 231.405 2.269 10 0 BEAERO CC(C)c1nsc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721935527 710694349 /nfs/dbraw/zinc/69/43/49/710694349.db2.gz UTRDPAZUQMCBGM-MRVPVSSYSA-N 1 0 240.376 2.071 10 0 BEAERO O[C@@H](C[N@@H+]1C[C@@H]2C[C@@H]2C1)c1cc2ccccc2o1 ZINC000380377223 712900185 /nfs/dbraw/zinc/90/01/85/712900185.db2.gz JOSXORWOBPSMLH-XQQFMLRXSA-N 1 0 243.306 2.418 10 0 BEAERO C[C@@H]1CC(C[NH2+]C[C@H]2CCC=CO2)C[C@@H](C)O1 ZINC000724288279 710738662 /nfs/dbraw/zinc/73/86/62/710738662.db2.gz QWPQQDIKCQEISK-YRGRVCCFSA-N 1 0 239.359 2.472 10 0 BEAERO Cc1cnc(CN[C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000724084988 710736973 /nfs/dbraw/zinc/73/69/73/710736973.db2.gz GSWBKRIFIQWGCF-KGLIPLIRSA-N 1 0 247.386 2.176 10 0 BEAERO Cc1cnc(CN[C@@H](C)[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000724048034 710737184 /nfs/dbraw/zinc/73/71/84/710737184.db2.gz LELYEXBSHXDHJL-UONOGXRCSA-N 1 0 247.386 2.319 10 0 BEAERO Cc1cc([N+](=O)[O-])ccc1N1CC[C@](C)(C[NH3+])C1 ZINC000381137063 710604396 /nfs/dbraw/zinc/60/43/96/710604396.db2.gz OXXORAXNMKJPRJ-CYBMUJFWSA-N 1 0 249.314 2.078 10 0 BEAERO C[N@H+](C[C@H](O)c1ccccc1Cl)C1CC1 ZINC000047914910 711489772 /nfs/dbraw/zinc/48/97/72/711489772.db2.gz CRGQFTRSTUEGOL-LBPRGKRZSA-N 1 0 225.719 2.468 10 0 BEAERO Cc1cnc(C[NH2+]C[C@@H]2CCC=CO2)c(C)c1 ZINC000724033392 711557052 /nfs/dbraw/zinc/55/70/52/711557052.db2.gz JGLXPGHIICLONE-ZDUSSCGKSA-N 1 0 232.327 2.481 10 0 BEAERO Cc1cnc(C[NH2+]C[C@H]2C[C@H]2C)c(C)c1 ZINC000724087633 711560028 /nfs/dbraw/zinc/56/00/28/711560028.db2.gz XCYLHYLLJJOVTH-ZYHUDNBSSA-N 1 0 204.317 2.444 10 0 BEAERO Cc1cnc(C[NH2+]C[C@H](O)C(C)(C)C)c(C)c1 ZINC000724095125 711560385 /nfs/dbraw/zinc/56/03/85/711560385.db2.gz HGFCQITXMVXZLE-ZDUSSCGKSA-N 1 0 236.359 2.195 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CCC1CC=CC1 ZINC000724198188 711569231 /nfs/dbraw/zinc/56/92/31/711569231.db2.gz DLMCCXLGWOIGDD-GFCCVEGCSA-N 1 0 211.349 2.339 10 0 BEAERO CN1CCN(CCC[NH2+]C2CC2)c2ccccc21 ZINC000113548634 711591550 /nfs/dbraw/zinc/59/15/50/711591550.db2.gz HLVYLLRFMTYDMM-UHFFFAOYSA-N 1 0 245.370 2.085 10 0 BEAERO Nc1ccc([C@H]2CCn3cc[nH+]c3N2)cc1 ZINC000236394868 711761796 /nfs/dbraw/zinc/76/17/96/711761796.db2.gz HWOMPYRANOBZBS-LLVKDONJSA-N 1 0 214.272 2.022 10 0 BEAERO Cc1ccccc1CCc1nc([C@H](C)C[NH3+])no1 ZINC000054158528 711766179 /nfs/dbraw/zinc/76/61/79/711766179.db2.gz XOPHYKGHPGGSRO-LLVKDONJSA-N 1 0 245.326 2.225 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C(C)(C)c2ccccc2)n1 ZINC000054158617 711766332 /nfs/dbraw/zinc/76/63/32/711766332.db2.gz RCEDLABDZXBRHH-JTQLQIEISA-N 1 0 245.326 2.458 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2cccc(F)n2)C1 ZINC000049231056 711775925 /nfs/dbraw/zinc/77/59/25/711775925.db2.gz BBOAZGNECDOQAG-JTQLQIEISA-N 1 0 223.295 2.117 10 0 BEAERO CC(C)(C)c1ccnc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721874444 711794069 /nfs/dbraw/zinc/79/40/69/711794069.db2.gz QZQUKQIPPJWTCO-NSHDSACASA-N 1 0 248.374 2.184 10 0 BEAERO C[C@@H](CN1CCCCC1)[NH2+][C@H]1CCCSC1 ZINC000061588069 711839123 /nfs/dbraw/zinc/83/91/23/711839123.db2.gz UDLHJVDYUBVQLM-STQMWFEESA-N 1 0 242.432 2.346 10 0 BEAERO CCOC1CC([NH2+]C2CC(SC)C2)C1 ZINC000706747953 711923959 /nfs/dbraw/zinc/92/39/59/711923959.db2.gz XYJHNUDGJVTUQR-UHFFFAOYSA-N 1 0 215.362 2.038 10 0 BEAERO CC(C)(O)C[NH2+]CC(C)(C)C(C)(F)F ZINC000700278892 711989371 /nfs/dbraw/zinc/98/93/71/711989371.db2.gz SYCAZCXGSSXGIT-UHFFFAOYSA-N 1 0 209.280 2.028 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)n1 ZINC000700463070 711996060 /nfs/dbraw/zinc/99/60/60/711996060.db2.gz RIQKXSQVBYTFLG-JBLDHEPKSA-N 1 0 249.358 2.405 10 0 BEAERO C(C[C@@H]1CCC[NH2+]1)c1nc([C@@H]2CC23CC3)no1 ZINC000700538745 711996640 /nfs/dbraw/zinc/99/66/40/711996640.db2.gz AWTVGAPOVFYPQQ-UWVGGRQHSA-N 1 0 233.315 2.022 10 0 BEAERO CCCCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000702023497 712036666 /nfs/dbraw/zinc/03/66/66/712036666.db2.gz HBHGENICIPDENQ-JSGCOSHPSA-N 1 0 238.375 2.073 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@@]1(C)CC1(C)C ZINC000702339602 712048087 /nfs/dbraw/zinc/04/80/87/712048087.db2.gz SMGITSBKXINDOD-TZMCWYRMSA-N 1 0 243.391 2.190 10 0 BEAERO [NH3+]Cc1cccc2c1N(C[C@H]1CCCO1)CCC2 ZINC000705777547 712137165 /nfs/dbraw/zinc/13/71/65/712137165.db2.gz YDAGMJIGEXEFMK-CQSZACIVSA-N 1 0 246.354 2.077 10 0 BEAERO O[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000706782475 712155293 /nfs/dbraw/zinc/15/52/93/712155293.db2.gz BKLGRIJUNVIROX-MELADBBJSA-N 1 0 217.312 2.204 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C1CC(SC)C1 ZINC000706879427 712157633 /nfs/dbraw/zinc/15/76/33/712157633.db2.gz SYSDHLYNDRUTSQ-WFBLGPOFSA-N 1 0 215.362 2.038 10 0 BEAERO CSC1CC([NH2+]C2CC(SC)C2)C1 ZINC000708268631 712184843 /nfs/dbraw/zinc/18/48/43/712184843.db2.gz FNGKTZBTXYVOCK-UHFFFAOYSA-N 1 0 217.403 2.364 10 0 BEAERO CSC1CC([NH2+]Cc2cncn2C(C)C)C1 ZINC000708298898 712185336 /nfs/dbraw/zinc/18/53/36/712185336.db2.gz BEIFSNPOHWXEPV-UHFFFAOYSA-N 1 0 239.388 2.448 10 0 BEAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ccncc1Cl)C2 ZINC000709797524 712227238 /nfs/dbraw/zinc/22/72/38/712227238.db2.gz CCODXISYWPCKLA-AEJSXWLSSA-N 1 0 237.734 2.051 10 0 BEAERO C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cn(C)cn1 ZINC000709973567 712236166 /nfs/dbraw/zinc/23/61/66/712236166.db2.gz XLYIFYRHNCTJCW-IACUBPJLSA-N 1 0 249.358 2.030 10 0 BEAERO CN(CCCCCC[NH3+])c1ncc(Cl)cn1 ZINC000710781988 712256300 /nfs/dbraw/zinc/25/63/00/712256300.db2.gz QQLQWMOQVOZZKR-UHFFFAOYSA-N 1 0 242.754 2.085 10 0 BEAERO Cc1cc(C)nc(N(C)CCCCCC[NH3+])n1 ZINC000710800112 712257317 /nfs/dbraw/zinc/25/73/17/712257317.db2.gz SPGAQAVGIXIQML-UHFFFAOYSA-N 1 0 236.363 2.049 10 0 BEAERO CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C(C)C ZINC000710949348 712267346 /nfs/dbraw/zinc/26/73/46/712267346.db2.gz AFIZNIPMPKHXFQ-SRVKXCTJSA-N 1 0 226.364 2.055 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000711089116 712279627 /nfs/dbraw/zinc/27/96/27/712279627.db2.gz FJKUFVQZURXZDG-BDAKNGLRSA-N 1 0 235.331 2.296 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](CF)C2)C1 ZINC000711450920 712301502 /nfs/dbraw/zinc/30/15/02/712301502.db2.gz MHDXIFDTHIZCBE-JHJVBQTASA-N 1 0 229.339 2.219 10 0 BEAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1sccc1Cl ZINC000378791175 712362135 /nfs/dbraw/zinc/36/21/35/712362135.db2.gz NPNPWVHIWBXUGU-YUMQZZPRSA-N 1 0 248.754 2.273 10 0 BEAERO C(c1noc([C@H]2CCC[NH2+]2)n1)C1CCCC1 ZINC000379107357 712369662 /nfs/dbraw/zinc/36/96/62/712369662.db2.gz RXHOCSDBLBKFNM-SNVBAGLBSA-N 1 0 221.304 2.227 10 0 BEAERO CSC1CC([NH2+]Cc2cnn(C)c2Cl)C1 ZINC000712465073 712430440 /nfs/dbraw/zinc/43/04/40/712430440.db2.gz ALYODWFSURXKQF-UHFFFAOYSA-N 1 0 245.779 2.057 10 0 BEAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000712719469 712448786 /nfs/dbraw/zinc/44/87/86/712448786.db2.gz LIHPTHMFSLXMEV-KFWWJZLASA-N 1 0 234.387 2.203 10 0 BEAERO Cc1cc(N(C)C2(C[NH3+])CCCCC2)nc(C)n1 ZINC000713300823 712458693 /nfs/dbraw/zinc/45/86/93/712458693.db2.gz SKXPOAVUALYWFN-UHFFFAOYSA-N 1 0 248.374 2.191 10 0 BEAERO C=C/C=C/CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000713645853 712468424 /nfs/dbraw/zinc/46/84/24/712468424.db2.gz UXHPIJQNPJRXDO-UCLKDPGMSA-N 1 0 221.344 2.212 10 0 BEAERO C=C/C=C\CC[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000713748919 712471026 /nfs/dbraw/zinc/47/10/26/712471026.db2.gz SPAMVGNHRFMPCW-QMAVJUDZSA-N 1 0 223.316 2.004 10 0 BEAERO CCc1ccc(C[NH2+]C2CC(COC)C2)o1 ZINC000713919163 712473214 /nfs/dbraw/zinc/47/32/14/712473214.db2.gz YKHDBDDAYGDOMQ-UHFFFAOYSA-N 1 0 223.316 2.357 10 0 BEAERO C[C@H](C[NH3+])c1noc(C[C@@H]2CCCC2(F)F)n1 ZINC000713932113 712473726 /nfs/dbraw/zinc/47/37/26/712473726.db2.gz SWBUCYKMDBTUMI-SFYZADRCSA-N 1 0 245.273 2.110 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C[C@H]2CCCC2(F)F)n1 ZINC000713932112 712473904 /nfs/dbraw/zinc/47/39/04/712473904.db2.gz SWBUCYKMDBTUMI-JGVFFNPUSA-N 1 0 245.273 2.110 10 0 BEAERO CC[C@H]([NH2+]C1CC(COC)C1)[C@H]1C[C@H]1C ZINC000713971593 712475350 /nfs/dbraw/zinc/47/53/50/712475350.db2.gz RIFHISQPFORFJK-ZMZXKLSGSA-N 1 0 211.349 2.436 10 0 BEAERO COCC1CC([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000713996728 712477042 /nfs/dbraw/zinc/47/70/42/712477042.db2.gz XRMNAVNQTJOUQD-XGNXJENSSA-N 1 0 249.354 2.338 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@H]2CCCC[C@H]2C)n1 ZINC000714450063 712490314 /nfs/dbraw/zinc/49/03/14/712490314.db2.gz PAWFSWGPLQGZIC-BBBLOLIVSA-N 1 0 223.320 2.426 10 0 BEAERO CN(Cc1ccncc1)C1(C[NH3+])CCCCC1 ZINC000036775737 712494948 /nfs/dbraw/zinc/49/49/48/712494948.db2.gz KMCPJEOZDJJPRF-UHFFFAOYSA-N 1 0 233.359 2.175 10 0 BEAERO CCC1([NH3+])CCN([C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000714752914 712497109 /nfs/dbraw/zinc/49/71/09/712497109.db2.gz FJWJZDHURZUVLJ-NEPJUHHUSA-N 1 0 248.374 2.092 10 0 BEAERO CCC1([NH3+])CCN(c2cc(C)ccn2)CC1 ZINC000714752486 712497377 /nfs/dbraw/zinc/49/73/77/712497377.db2.gz URYFETLCDOARFV-UHFFFAOYSA-N 1 0 219.332 2.098 10 0 BEAERO CCC1([NH3+])CCN([C@H](C)c2ccccn2)CC1 ZINC000714759056 712497602 /nfs/dbraw/zinc/49/76/02/712497602.db2.gz QIJNIWJDXONFCT-GFCCVEGCSA-N 1 0 233.359 2.346 10 0 BEAERO CCC1([NH3+])CCN([C@@H](C)c2ccccn2)CC1 ZINC000714759061 712497649 /nfs/dbraw/zinc/49/76/49/712497649.db2.gz QIJNIWJDXONFCT-LBPRGKRZSA-N 1 0 233.359 2.346 10 0 BEAERO CCC1([NH3+])CCN([C@@H](C)c2nccnc2C)CC1 ZINC000714760037 712498318 /nfs/dbraw/zinc/49/83/18/712498318.db2.gz ZRAWVGYIFMMFAU-LBPRGKRZSA-N 1 0 248.374 2.049 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]([NH3+])CCC ZINC000036873377 712506594 /nfs/dbraw/zinc/50/65/94/712506594.db2.gz CTTXLIRDCFOXEJ-WDEREUQCSA-N 1 0 214.353 2.199 10 0 BEAERO CCC1([NH+](C)C)CCN(C(=O)OC(C)C)CC1 ZINC000715212385 712513862 /nfs/dbraw/zinc/51/38/62/712513862.db2.gz FRQMWPMKFZWFJV-UHFFFAOYSA-N 1 0 242.363 2.338 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C[NH3+])c(C)c1 ZINC000715202865 712514070 /nfs/dbraw/zinc/51/40/70/712514070.db2.gz NGKXQHVCZJYTKP-YRGRVCCFSA-N 1 0 246.354 2.075 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715874234 712537751 /nfs/dbraw/zinc/53/77/51/712537751.db2.gz DWMDEXUOLXPVAD-MNOVXSKESA-N 1 0 236.363 2.435 10 0 BEAERO C[C@@H](CC1CCCC1)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715874237 712538152 /nfs/dbraw/zinc/53/81/52/712538152.db2.gz DWMDEXUOLXPVAD-QWRGUYRKSA-N 1 0 236.363 2.435 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCCC1CC1 ZINC000716359094 712556257 /nfs/dbraw/zinc/55/62/57/712556257.db2.gz FNZPLVPEYAZKCX-CYBMUJFWSA-N 1 0 238.375 2.073 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCCC1CC1 ZINC000716398893 712557954 /nfs/dbraw/zinc/55/79/54/712557954.db2.gz QOOWMWPMBXTDRZ-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO CCCCC[C@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037267403 712565047 /nfs/dbraw/zinc/56/50/47/712565047.db2.gz ADJFGPKCYOQDDW-NSHDSACASA-N 1 0 241.379 2.088 10 0 BEAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccsc1 ZINC000716684084 712569729 /nfs/dbraw/zinc/56/97/29/712569729.db2.gz PGKGKKJSNDRWSK-ILDUYXDCSA-N 1 0 238.356 2.053 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)c(C)c1 ZINC000716724786 712571354 /nfs/dbraw/zinc/57/13/54/712571354.db2.gz ZBHCWNCHPQPOLY-PNESKVBLSA-N 1 0 246.354 2.218 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nccc2cccnc21 ZINC000716901173 712581210 /nfs/dbraw/zinc/58/12/10/712581210.db2.gz VOFFAGDSUPYLHK-NXEZZACHSA-N 1 0 230.315 2.168 10 0 BEAERO CC(C)[NH2+]CCCNc1nccc2cccnc21 ZINC000716918761 712582341 /nfs/dbraw/zinc/58/23/41/712582341.db2.gz SGUNWCBQCWFSIB-UHFFFAOYSA-N 1 0 244.342 2.430 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccc2cccnc21 ZINC000716922817 712596194 /nfs/dbraw/zinc/59/61/94/712596194.db2.gz RPKNGKULAIGESB-NWDGAFQWSA-N 1 0 242.326 2.182 10 0 BEAERO CCC[C@@H](CCO)[NH2+]CCc1ccccc1 ZINC000716930505 712596833 /nfs/dbraw/zinc/59/68/33/712596833.db2.gz NEZMSOJHLWCZSE-AWEZNQCLSA-N 1 0 221.344 2.370 10 0 BEAERO C[C@H](CCCC[NH3+])Nc1cncc(Cl)n1 ZINC000379817047 712611649 /nfs/dbraw/zinc/61/16/49/712611649.db2.gz RVKUTYSEPYWNFL-MRVPVSSYSA-N 1 0 228.727 2.059 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717064649 712626918 /nfs/dbraw/zinc/62/69/18/712626918.db2.gz XYHPNZAUEWRWAF-UMSGYPCISA-N 1 0 225.376 2.419 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717064654 712626922 /nfs/dbraw/zinc/62/69/22/712626922.db2.gz XYHPNZAUEWRWAF-ZDEQEGDKSA-N 1 0 225.376 2.419 10 0 BEAERO CC(=O)[C@H]1CCC[N@@H+](CCSC(C)C)C1 ZINC000379929263 712631568 /nfs/dbraw/zinc/63/15/68/712631568.db2.gz VHPXKESXYUAARK-LBPRGKRZSA-N 1 0 229.389 2.429 10 0 BEAERO C[C@@H](NC(=O)CC[NH2+]CC1CC1)C1CCCC1 ZINC000717144418 712636710 /nfs/dbraw/zinc/63/67/10/712636710.db2.gz OOMIZIDAUZJYEL-LLVKDONJSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000717454035 712658584 /nfs/dbraw/zinc/65/85/84/712658584.db2.gz JDSVBZUMCWPWEB-RYUDHWBXSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCn1cncn1 ZINC000717454031 712658775 /nfs/dbraw/zinc/65/87/75/712658775.db2.gz JDSVBZUMCWPWEB-NEPJUHHUSA-N 1 0 236.363 2.083 10 0 BEAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)n(C)n1 ZINC000380026456 712683160 /nfs/dbraw/zinc/68/31/60/712683160.db2.gz PFKNSVVTINIOCH-WDEREUQCSA-N 1 0 209.337 2.424 10 0 BEAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000380063440 712684524 /nfs/dbraw/zinc/68/45/24/712684524.db2.gz BJUHHCLIEZZDQA-IJLUTSLNSA-N 1 0 209.333 2.191 10 0 BEAERO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000380114258 712687419 /nfs/dbraw/zinc/68/74/19/712687419.db2.gz PACVLTUNAGFFCQ-QJPTWQEYSA-N 1 0 213.365 2.418 10 0 BEAERO Cc1coc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000718044363 712738376 /nfs/dbraw/zinc/73/83/76/712738376.db2.gz NQVINKGIDWOAOG-DGCLKSJQSA-N 1 0 223.316 2.229 10 0 BEAERO Cc1coc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000718147192 712748728 /nfs/dbraw/zinc/74/87/28/712748728.db2.gz WIJUNRVXLJWZGO-PWSUYJOCSA-N 1 0 209.289 2.245 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCC(C)(F)F ZINC000718686603 712777113 /nfs/dbraw/zinc/77/71/13/712777113.db2.gz IAGVCMDBXFOCBJ-VHSXEESVSA-N 1 0 221.291 2.267 10 0 BEAERO COCC(C)(C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000718727889 712779298 /nfs/dbraw/zinc/77/92/98/712779298.db2.gz QFODNHCPFQAXKJ-LLVKDONJSA-N 1 0 231.380 2.046 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CCC[C@H](OC)CC2)C1 ZINC000718800764 712783288 /nfs/dbraw/zinc/78/32/88/712783288.db2.gz MNKVNECCEXMSNP-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccnc3ncccc23)C1 ZINC000718928127 712789731 /nfs/dbraw/zinc/78/97/31/712789731.db2.gz AQAQYZBMAAUZGD-QWRGUYRKSA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccnc3ncccc23)C1 ZINC000718928125 712789747 /nfs/dbraw/zinc/78/97/47/712789747.db2.gz AQAQYZBMAAUZGD-GHMZBOCLSA-N 1 0 242.326 2.169 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718978315 712790803 /nfs/dbraw/zinc/79/08/03/712790803.db2.gz CGIDTYBBXKGKSM-NWDGAFQWSA-N 1 0 227.348 2.116 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccnc2ncccc12 ZINC000718980638 712790834 /nfs/dbraw/zinc/79/08/34/712790834.db2.gz BXEVLQULFMXJFE-ZYHUDNBSSA-N 1 0 242.326 2.182 10 0 BEAERO CC(C)[C@@H](C)[NH+]1CCC(C2OCCO2)CC1 ZINC000718974945 712790896 /nfs/dbraw/zinc/79/08/96/712790896.db2.gz LHOVHTYBEVFMQM-LLVKDONJSA-N 1 0 227.348 2.116 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccnc2ncccc12 ZINC000718980635 712790961 /nfs/dbraw/zinc/79/09/61/712790961.db2.gz BXEVLQULFMXJFE-CMPLNLGQSA-N 1 0 242.326 2.182 10 0 BEAERO c1cnc2nccc(NCC[C@@H]3CC[NH2+]C3)c2c1 ZINC000718980752 712791247 /nfs/dbraw/zinc/79/12/47/712791247.db2.gz DWBQZEMQFPDZBO-NSHDSACASA-N 1 0 242.326 2.041 10 0 BEAERO c1ccc(CC[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000037988782 712796439 /nfs/dbraw/zinc/79/64/39/712796439.db2.gz AFNQUGLRPQSQEE-AWEZNQCLSA-N 1 0 219.328 2.388 10 0 BEAERO OCC1([NH2+]C[C@@H]2CCCO2)CCCCCCC1 ZINC000038114626 712808613 /nfs/dbraw/zinc/80/86/13/712808613.db2.gz ZNWKNLVCTBRACE-ZDUSSCGKSA-N 1 0 241.375 2.230 10 0 BEAERO CC(C)c1nccnc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719780527 712824804 /nfs/dbraw/zinc/82/48/04/712824804.db2.gz GVWWHDQUAIYMII-QWRGUYRKSA-N 1 0 234.347 2.105 10 0 BEAERO CC[C@@H](C[NH2+][C@@H](C)c1cn(C)nn1)CC(F)F ZINC000720522811 712849020 /nfs/dbraw/zinc/84/90/20/712849020.db2.gz GPFGGWGYHOQCMJ-DTWKUNHWSA-N 1 0 246.305 2.147 10 0 BEAERO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1cn(C)nn1 ZINC000720592688 712855694 /nfs/dbraw/zinc/85/56/94/712855694.db2.gz ZSKCJWBRJWMHJN-VWYCJHECSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)c1cn(C)nn1 ZINC000720591572 712856101 /nfs/dbraw/zinc/85/61/01/712856101.db2.gz PHFLAFQBWKVFEO-WRWGMCAJSA-N 1 0 236.363 2.290 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000039240223 1165806534 /nfs/dbraw/zinc/80/65/34/1165806534.db2.gz SQQLWOSMRASHRV-RYUDHWBXSA-N 1 0 218.300 2.143 10 0 BEAERO Cc1cc(N2CC[NH2+]C(C)(C)C2)nc(C(C)C)n1 ZINC000212702651 1166147044 /nfs/dbraw/zinc/14/70/44/1166147044.db2.gz XSBFQVRFOWDAKN-UHFFFAOYSA-N 1 0 248.374 2.097 10 0 BEAERO OCCCCC[NH2+]CCCC(F)(F)F ZINC000124206175 1166905407 /nfs/dbraw/zinc/90/54/07/1166905407.db2.gz VHCHHBGCODACEN-UHFFFAOYSA-N 1 0 213.243 2.081 10 0 BEAERO C(C[NH2+][C@@H]1CCSC1)C[C@@H]1CCCCO1 ZINC000135016914 1167745697 /nfs/dbraw/zinc/74/56/97/1167745697.db2.gz IGXYSYGWTZQUKF-NEPJUHHUSA-N 1 0 229.389 2.431 10 0 BEAERO CN1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000044562797 1169097640 /nfs/dbraw/zinc/09/76/40/1169097640.db2.gz JASSARQYZPKLIF-GFCCVEGCSA-N 1 0 212.381 2.497 10 0 BEAERO c1nc2c(s1)CN(c1cc[nH+]cc1)CC2 ZINC000114494905 983951715 /nfs/dbraw/zinc/95/17/15/983951715.db2.gz DKXYIBSUWBWZKT-UHFFFAOYSA-N 1 0 217.297 2.101 10 0 BEAERO C[C@H](C[NH2+]CCCC(F)(F)F)N(C)C1CC1 ZINC000218680675 972028953 /nfs/dbraw/zinc/02/89/53/972028953.db2.gz PKLZNFCGYROFSL-SECBINFHSA-N 1 0 238.297 2.401 10 0 BEAERO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N)nc1 ZINC000136532388 960767959 /nfs/dbraw/zinc/76/79/59/960767959.db2.gz BHNONYHOYHZMGJ-CMPLNLGQSA-N 1 0 219.332 2.427 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000135288102 963062493 /nfs/dbraw/zinc/06/24/93/963062493.db2.gz WTGSSXWFBHUSFG-AGIUHOORSA-N 1 0 238.375 2.008 10 0 BEAERO Cc1cc(N2CC[C@@H]3CCCC[C@@H]3C2)nc(N)[nH+]1 ZINC000035874852 1170906918 /nfs/dbraw/zinc/90/69/18/1170906918.db2.gz GWQPDDXCZYLSGP-NWDGAFQWSA-N 1 0 246.358 2.384 10 0 BEAERO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C1(C)CC1 ZINC000037155174 1170932717 /nfs/dbraw/zinc/93/27/17/1170932717.db2.gz AZHUZTHVVXNZNS-QWRGUYRKSA-N 1 0 207.321 2.050 10 0 BEAERO COC(C[NH2+][C@H](C)c1ccc2c(c1)CCC2)OC ZINC000037566661 1170956237 /nfs/dbraw/zinc/95/62/37/1170956237.db2.gz IHDRQNDCMSEICO-LLVKDONJSA-N 1 0 249.354 2.445 10 0 BEAERO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCCCN1C ZINC000044561881 1171392187 /nfs/dbraw/zinc/39/21/87/1171392187.db2.gz OAHCZRYJVNZRFH-CHWSQXEVSA-N 1 0 212.381 2.495 10 0 BEAERO Cc1ncc(C[NH2+]C[C@H]2CCCCN2C)s1 ZINC000044562069 1171394489 /nfs/dbraw/zinc/39/44/89/1171394489.db2.gz BKEOWCMVZWRRII-LLVKDONJSA-N 1 0 239.388 2.025 10 0 BEAERO CC(C)C[C@H](C)[NH2+]C[C@H]1CCCCN1C ZINC000044561882 1171394788 /nfs/dbraw/zinc/39/47/88/1171394788.db2.gz OAHCZRYJVNZRFH-QWHCGFSZSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)=CC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000048794451 1171648695 /nfs/dbraw/zinc/64/86/95/1171648695.db2.gz NCPOEXNCHWLEGQ-UHFFFAOYSA-N 1 0 238.375 2.143 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc(C)s1 ZINC000049948615 1171753364 /nfs/dbraw/zinc/75/33/64/1171753364.db2.gz JDQXISSIVABTBI-WDEREUQCSA-N 1 0 226.345 2.109 10 0 BEAERO [NH3+]CC(F)(F)COCC1CCCCC1 ZINC000685956371 538902371 /nfs/dbraw/zinc/90/23/71/538902371.db2.gz SMWOJMIVIYAJCZ-UHFFFAOYSA-N 1 0 207.264 2.177 10 0 BEAERO C[C@@H]([NH3+])c1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685956457 538903007 /nfs/dbraw/zinc/90/30/07/538903007.db2.gz UQCNYMZEGHGIFX-GSVOUGTGSA-N 1 0 228.510 2.256 10 0 BEAERO C[C@H]([NH3+])c1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685956461 538903123 /nfs/dbraw/zinc/90/31/23/538903123.db2.gz UQCNYMZEGHGIFX-VKHMYHEASA-N 1 0 228.510 2.256 10 0 BEAERO CCNCC(F)(F)CO[C@@H](C)C(C)C ZINC000685957111 538903345 /nfs/dbraw/zinc/90/33/45/538903345.db2.gz MVWHWYVXQGGGCO-VIFPVBQESA-N 1 0 209.280 2.292 10 0 BEAERO COCC[C@@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960569 538907577 /nfs/dbraw/zinc/90/75/77/538907577.db2.gz SBRDFQUDOKBZTK-CYBMUJFWSA-N 1 0 249.354 2.408 10 0 BEAERO CC(C)[C@@]1(CO)C[C@H]1C[N@@H+]1CCC[C@@H](C)C1 ZINC000685961403 538908431 /nfs/dbraw/zinc/90/84/31/538908431.db2.gz REOKHUNAXHKBAS-RDBSUJKOSA-N 1 0 225.376 2.373 10 0 BEAERO CC[C@H](C)[NH2+]CC1(CCOC)CCOCC1 ZINC000685961750 538908462 /nfs/dbraw/zinc/90/84/62/538908462.db2.gz WAMOZIJCFWHLGB-LBPRGKRZSA-N 1 0 229.364 2.208 10 0 BEAERO CC(C)[C@]1(CO)C[C@H]1C[NH2+]Cc1ccccc1 ZINC000685961821 538908479 /nfs/dbraw/zinc/90/84/79/538908479.db2.gz WQSUJEYFMKDCPZ-LSDHHAIUSA-N 1 0 233.355 2.431 10 0 BEAERO CC(C)[C@]1(CO)C[C@H]1C[N@@H+]1CCC[C@@H](C)C1 ZINC000685961399 538908549 /nfs/dbraw/zinc/90/85/49/538908549.db2.gz REOKHUNAXHKBAS-HZSPNIEDSA-N 1 0 225.376 2.373 10 0 BEAERO CCC(C)(C)[NH2+]C[C@@H]1C[C@]1(CO)C(C)C ZINC000685961900 538909259 /nfs/dbraw/zinc/90/92/59/538909259.db2.gz XJJDKFCPMTWEGI-AAEUAGOBSA-N 1 0 213.365 2.419 10 0 BEAERO C[NH2+][C@H](C)C(=O)C[C@@H](C)COCc1ccccc1 ZINC000685962435 538909341 /nfs/dbraw/zinc/90/93/41/538909341.db2.gz IBIXXPRIDCGSQH-CHWSQXEVSA-N 1 0 249.354 2.406 10 0 BEAERO C[NH2+][C@@H](C)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962438 538909398 /nfs/dbraw/zinc/90/93/98/538909398.db2.gz IBIXXPRIDCGSQH-STQMWFEESA-N 1 0 249.354 2.406 10 0 BEAERO Cc1cc(C)n([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000037160064 177931839 /nfs/dbraw/zinc/93/18/39/177931839.db2.gz LMSTUBYAGRGANI-VXGBXAGGSA-N 1 0 207.321 2.190 10 0 BEAERO CC[C@@H](c1ccccc1)[C@@H](CO)CC[NH2+]C ZINC000685963863 538910849 /nfs/dbraw/zinc/91/08/49/538910849.db2.gz YRMOEKSHJPDBEB-KGLIPLIRSA-N 1 0 221.344 2.398 10 0 BEAERO C=C(OCC)c1cncc(C[NH2+]C2CC2)c1 ZINC000685965050 538911413 /nfs/dbraw/zinc/91/14/13/538911413.db2.gz MHQTVTAAOYHECR-UHFFFAOYSA-N 1 0 218.300 2.341 10 0 BEAERO CC(C)c1cccc([C@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965366 538911945 /nfs/dbraw/zinc/91/19/45/538911945.db2.gz BDRAOLJIMOXIGA-ZIAGYGMSSA-N 1 0 218.344 2.214 10 0 BEAERO CC[NH2+]CC[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000685963364 538912442 /nfs/dbraw/zinc/91/24/42/538912442.db2.gz MPNCLPYWFMOWSF-JSGCOSHPSA-N 1 0 221.344 2.398 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616611694 349467128 /nfs/dbraw/zinc/46/71/28/349467128.db2.gz UEVKIBRLNQZCJO-LLVKDONJSA-N 1 0 227.311 2.439 10 0 BEAERO CCC(CC)([NH2+]C1CCCCCC1)C(N)=O ZINC000037970655 168331672 /nfs/dbraw/zinc/33/16/72/168331672.db2.gz BUGTVJXMPSTXPI-UHFFFAOYSA-N 1 0 226.364 2.343 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccncn1 ZINC000616588329 349490515 /nfs/dbraw/zinc/49/05/15/349490515.db2.gz QGGGVKWNUHUANK-CQSZACIVSA-N 1 0 225.295 2.054 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000378724456 346815897 /nfs/dbraw/zinc/81/58/97/346815897.db2.gz SOCLZRIJCFFUNG-YNEHKIRRSA-N 1 0 243.416 2.390 10 0 BEAERO COC(=O)c1ccc([C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000258312620 349505251 /nfs/dbraw/zinc/50/52/51/349505251.db2.gz SWNBQWFJUIIKAL-LBPRGKRZSA-N 1 0 237.274 2.427 10 0 BEAERO Cc1cc(C[NH2+]C2CC2)ccc1-n1cccn1 ZINC000050562396 178018460 /nfs/dbraw/zinc/01/84/60/178018460.db2.gz XIUMOTKOIPSPAO-UHFFFAOYSA-N 1 0 227.311 2.433 10 0 BEAERO Cc1cc(C[NH2+]C2CC2)nc(C(C)(C)C)n1 ZINC000054831840 178018592 /nfs/dbraw/zinc/01/85/92/178018592.db2.gz LUNSOQBCRYUDLZ-UHFFFAOYSA-N 1 0 219.332 2.335 10 0 BEAERO Cc1cc(C[NH2+]Cc2cn[nH]c2)cc(C)c1O ZINC000038006093 178027946 /nfs/dbraw/zinc/02/79/46/178027946.db2.gz ALSYCBSUDQMSQL-UHFFFAOYSA-N 1 0 231.299 2.022 10 0 BEAERO [NH3+]CCc1ccc(OCc2ccccc2)nc1 ZINC000071973672 398171473 /nfs/dbraw/zinc/17/14/73/398171473.db2.gz ZGLGONSCEDOLNG-UHFFFAOYSA-N 1 0 228.295 2.162 10 0 BEAERO Cc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc(C)c1O ZINC000128229164 178041865 /nfs/dbraw/zinc/04/18/65/178041865.db2.gz OEKVOMQNESHVNY-QWHCGFSZSA-N 1 0 249.354 2.258 10 0 BEAERO Cc1cc(COc2ccc(C[C@@H](C)[NH3+])cc2)no1 ZINC000037723724 178049419 /nfs/dbraw/zinc/04/94/19/178049419.db2.gz MAGQHTYNVGCFRO-SNVBAGLBSA-N 1 0 246.310 2.452 10 0 BEAERO Cc1cc(COc2ccc(CC[NH3+])cc2)on1 ZINC000037720402 178049614 /nfs/dbraw/zinc/04/96/14/178049614.db2.gz SIXFHTCIWASCKU-UHFFFAOYSA-N 1 0 232.283 2.063 10 0 BEAERO Cc1cc(COc2cccc(C[C@H](C)[NH3+])c2)no1 ZINC000037726547 178049702 /nfs/dbraw/zinc/04/97/02/178049702.db2.gz CJHQEAGALKMZKI-JTQLQIEISA-N 1 0 246.310 2.452 10 0 BEAERO Cc1cc(COc2ccccc2C[C@H](C)[NH3+])no1 ZINC000037724373 178050853 /nfs/dbraw/zinc/05/08/53/178050853.db2.gz OBCDPNCNJFTDDU-JTQLQIEISA-N 1 0 246.310 2.452 10 0 BEAERO Cc1cc(COc2ccccc2C[C@@H](C)[NH3+])no1 ZINC000037724372 178051305 /nfs/dbraw/zinc/05/13/05/178051305.db2.gz OBCDPNCNJFTDDU-SNVBAGLBSA-N 1 0 246.310 2.452 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccccc2CCO)C1 ZINC000616617177 398180320 /nfs/dbraw/zinc/18/03/20/398180320.db2.gz LRBJLQYIOCYIIY-CYBMUJFWSA-N 1 0 219.328 2.031 10 0 BEAERO Cc1cc(Cl)nc(S[C@H]2CCC[NH2+]C2)n1 ZINC000095069421 178072709 /nfs/dbraw/zinc/07/27/09/178072709.db2.gz SHEVEBDNEPUHTN-QMMMGPOBSA-N 1 0 243.763 2.283 10 0 BEAERO CCC[C@H](C[NH2+][C@H](CC(C)C)CN(C)C)OC ZINC000386168156 398199221 /nfs/dbraw/zinc/19/92/21/398199221.db2.gz WARVGZQIOCBUEO-ZIAGYGMSSA-N 1 0 244.423 2.367 10 0 BEAERO Cc1cc(F)ccc1C[NH2+]Cc1cn[nH]c1 ZINC000050577124 178086688 /nfs/dbraw/zinc/08/66/88/178086688.db2.gz BNYVUJWMRHIDSJ-UHFFFAOYSA-N 1 0 219.263 2.147 10 0 BEAERO Cc1cc(F)ccc1[C@H](C[NH3+])N(C)CC1CC1 ZINC000050578703 178092045 /nfs/dbraw/zinc/09/20/45/178092045.db2.gz ROJFYKNEBNVGIS-AWEZNQCLSA-N 1 0 236.334 2.476 10 0 BEAERO Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCCC1 ZINC000050578056 178092087 /nfs/dbraw/zinc/09/20/87/178092087.db2.gz QMBRPZFSQFQZNE-CYBMUJFWSA-N 1 0 222.307 2.230 10 0 BEAERO Cc1cc(F)ccc1[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000104123836 178092339 /nfs/dbraw/zinc/09/23/39/178092339.db2.gz SVJVEIRJKUZNAZ-BXUZGUMPSA-N 1 0 237.318 2.341 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H](Cc2cncs2)C1 ZINC000159790775 398193134 /nfs/dbraw/zinc/19/31/34/398193134.db2.gz IPTGPRMGEUVYQT-NXEZZACHSA-N 1 0 210.346 2.464 10 0 BEAERO Cc1cc(N(C)CCc2ccncc2)[nH+]cc1N ZINC000036250886 178098970 /nfs/dbraw/zinc/09/89/70/178098970.db2.gz FOHRHGTYBYRBDB-UHFFFAOYSA-N 1 0 242.326 2.046 10 0 BEAERO Cc1cc(N(CCC[NH3+])C2CC2)nc(C(C)C)n1 ZINC000035663796 178101852 /nfs/dbraw/zinc/10/18/52/178101852.db2.gz WWMLQPJIICLGMQ-UHFFFAOYSA-N 1 0 248.374 2.226 10 0 BEAERO Cc1[nH+]ccc(N2CC[C@H](CCO)C2)c1Cl ZINC000309325306 136217982 /nfs/dbraw/zinc/21/79/82/136217982.db2.gz HUVOEFWXBBEBRP-SNVBAGLBSA-N 1 0 240.734 2.252 10 0 BEAERO Cc1cc(N)ccc1N[C@H](C)C[NH+]1CCCC1 ZINC000042598601 178106950 /nfs/dbraw/zinc/10/69/50/178106950.db2.gz GPYCTQCBCVECBZ-GFCCVEGCSA-N 1 0 233.359 2.473 10 0 BEAERO Cc1cc(N2CC3(CCC3)[C@@H]3COC[C@@H]32)cc[nH+]1 ZINC000334646715 178112893 /nfs/dbraw/zinc/11/28/93/178112893.db2.gz WMAIWLKOZGDKLH-KGLIPLIRSA-N 1 0 244.338 2.395 10 0 BEAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)ccc1O ZINC000367984167 178145164 /nfs/dbraw/zinc/14/51/64/178145164.db2.gz UXVMXFZYNZSHDG-ZYHUDNBSSA-N 1 0 248.326 2.027 10 0 BEAERO Cc1cc(NCC[NH+]2CCCCC2)ccc1N ZINC000049574653 178161995 /nfs/dbraw/zinc/16/19/95/178161995.db2.gz GXVILINTSQJCIU-UHFFFAOYSA-N 1 0 233.359 2.475 10 0 BEAERO Cc1cc(NC[C@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000229568805 178168595 /nfs/dbraw/zinc/16/85/95/178168595.db2.gz HRUBWLXIQBVHEA-DGCLKSJQSA-N 1 0 220.316 2.353 10 0 BEAERO Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(C(C)C)n1 ZINC000044502923 178169558 /nfs/dbraw/zinc/16/95/58/178169558.db2.gz JZIIRJZIXAWSFU-LBPRGKRZSA-N 1 0 248.374 2.320 10 0 BEAERO Cc1cc(NCc2ccc(C[NH3+])cc2)nc(C)n1 ZINC000037756790 178172073 /nfs/dbraw/zinc/17/20/73/178172073.db2.gz OBCKYFTYPHRZTM-UHFFFAOYSA-N 1 0 242.326 2.164 10 0 BEAERO Cc1cc(N[C@]2(C[NH3+])CCC[C@H](C)C2)nc(C)n1 ZINC000104303447 178191629 /nfs/dbraw/zinc/19/16/29/178191629.db2.gz WGDAOKKFEVXHHK-IINYFYTJSA-N 1 0 248.374 2.413 10 0 BEAERO CCC[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187696340 259302440 /nfs/dbraw/zinc/30/24/40/259302440.db2.gz WGVPJGOYCWNLBP-NEPJUHHUSA-N 1 0 221.348 2.398 10 0 BEAERO C[C@](O)(C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000306643490 361781685 /nfs/dbraw/zinc/78/16/85/361781685.db2.gz WUVCPFVBNUCLBO-MNOVXSKESA-N 1 0 211.330 2.098 10 0 BEAERO CC(C)(C[NH3+])Oc1cc(F)ccc1F ZINC000070820213 361771776 /nfs/dbraw/zinc/77/17/76/361771776.db2.gz LRIMKNKPLOJGIN-UHFFFAOYSA-N 1 0 201.216 2.081 10 0 BEAERO Cc1cc([C@@H](C)N2CCC[NH2+]CC2)c(C)o1 ZINC000038087016 178220539 /nfs/dbraw/zinc/22/05/39/178220539.db2.gz JWGNRGYJPQLOCH-LLVKDONJSA-N 1 0 222.332 2.253 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)no1 ZINC000336729022 178227512 /nfs/dbraw/zinc/22/75/12/178227512.db2.gz CWYAZLOSGFIYCG-KOLCDFICSA-N 1 0 226.320 2.041 10 0 BEAERO Cc1cc([C@@H](O)C[NH+](C)C)cc(C)c1C ZINC000039105613 178238694 /nfs/dbraw/zinc/23/86/94/178238694.db2.gz USEIMAMIUVJLTR-ZDUSSCGKSA-N 1 0 207.317 2.207 10 0 BEAERO Cc1cc([C@@H]2C[NH2+]C[C@@H](C)O2)ccc1F ZINC000071511630 178242385 /nfs/dbraw/zinc/24/23/85/178242385.db2.gz BCCVFHCMWPWVCT-SKDRFNHKSA-N 1 0 209.264 2.184 10 0 BEAERO Cc1cc([C@@](C)(O)C[NH2+]C2CC2)ccc1F ZINC000032014488 178242834 /nfs/dbraw/zinc/24/28/34/178242834.db2.gz OZJOHIVFYUEPPG-ZDUSSCGKSA-N 1 0 223.291 2.094 10 0 BEAERO Cc1cc([C@H](C)N2CC[NH2+]CC2)c(C)s1 ZINC000049508947 178244504 /nfs/dbraw/zinc/24/45/04/178244504.db2.gz LTKSVEZLPSTHQS-JTQLQIEISA-N 1 0 224.373 2.331 10 0 BEAERO Cc1cc([C@H](CO)[NH2+]C(C)C)c(C)s1 ZINC000049688043 178261049 /nfs/dbraw/zinc/26/10/49/178261049.db2.gz XZQCCSGXXIJBOJ-NSHDSACASA-N 1 0 213.346 2.396 10 0 BEAERO CCC(CC)C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000125038043 168360789 /nfs/dbraw/zinc/36/07/89/168360789.db2.gz SMZWXWLHANZNTQ-QMTHXVAHSA-N 1 0 219.394 2.169 10 0 BEAERO CCC(CC)C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000125038703 168360853 /nfs/dbraw/zinc/36/08/53/168360853.db2.gz SMZWXWLHANZNTQ-HZMBPMFUSA-N 1 0 219.394 2.169 10 0 BEAERO Cc1cc2c(ncnc2NC[C@H]([NH3+])C2CC2)s1 ZINC000104317005 178281436 /nfs/dbraw/zinc/28/14/36/178281436.db2.gz VWVXVDYQSXWBKM-JTQLQIEISA-N 1 0 248.355 2.149 10 0 BEAERO C1CCC(c2nc3c(o2)C[NH2+]CC3)CC1 ZINC000076640523 398244362 /nfs/dbraw/zinc/24/43/62/398244362.db2.gz XEHGWEZKLUHEQB-UHFFFAOYSA-N 1 0 206.289 2.368 10 0 BEAERO Cc1cc2c(cc1C)[C@H](O)[C@H]([NH3+])CCC2 ZINC000026720395 178287167 /nfs/dbraw/zinc/28/71/67/178287167.db2.gz QLHHOCMFSKRSHT-OLZOCXBDSA-N 1 0 205.301 2.000 10 0 BEAERO Cc1cc2ccccc2c(NC[C@@H](C)O)[nH+]1 ZINC000302026590 178297379 /nfs/dbraw/zinc/29/73/79/178297379.db2.gz GYIJVEXIAJZVME-SNVBAGLBSA-N 1 0 216.284 2.336 10 0 BEAERO Cc1cc2ncc(C[NH2+]CCC(C)C)cn2n1 ZINC000070165955 178303614 /nfs/dbraw/zinc/30/36/14/178303614.db2.gz PFXICGQGNLWGML-UHFFFAOYSA-N 1 0 232.331 2.173 10 0 BEAERO Cc1cc2ncn(CCCC[NH3+])c2cc1C ZINC000019394980 178305616 /nfs/dbraw/zinc/30/56/16/178305616.db2.gz KFQANLHNZORACL-UHFFFAOYSA-N 1 0 217.316 2.392 10 0 BEAERO Cc1ccc(-c2ccc(C[NH3+])c(=O)[nH]2)cc1C ZINC000043404327 178324275 /nfs/dbraw/zinc/32/42/75/178324275.db2.gz WUQYKOQFWFYTQR-UHFFFAOYSA-N 1 0 228.295 2.117 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)[NH3+])no2)cc1F ZINC000041052280 178336680 /nfs/dbraw/zinc/33/66/80/178336680.db2.gz VVBKYWSMGUSVMM-ZETCQYMHSA-N 1 0 221.235 2.204 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)[NH3+])no2)s1 ZINC000041052300 178337661 /nfs/dbraw/zinc/33/76/61/178337661.db2.gz BEPFQRJQNFTFEK-LURJTMIESA-N 1 0 209.274 2.126 10 0 BEAERO Cn1cncc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000289724026 538946280 /nfs/dbraw/zinc/94/62/80/538946280.db2.gz JVADEMQRWBCUOP-CMPLNLGQSA-N 1 0 225.311 2.038 10 0 BEAERO CCOC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)C(C)C ZINC000383619069 398258626 /nfs/dbraw/zinc/25/86/26/398258626.db2.gz UVSOXMXGGKNUOQ-MJBXVCDLSA-N 1 0 243.391 2.188 10 0 BEAERO Cc1ccc(-c2oncc2C[NH3+])cc1C ZINC000071508397 178345022 /nfs/dbraw/zinc/34/50/22/178345022.db2.gz CHKCXNNBRQQHHC-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO CC[C@H]([NH2+]C[C@H]1CCCN1C)c1nccs1 ZINC000386271746 398264064 /nfs/dbraw/zinc/26/40/64/398264064.db2.gz ZUZNXYYQDJKHEM-MNOVXSKESA-N 1 0 239.388 2.278 10 0 BEAERO C[C@H](CC[NH3+])Nc1cccc(C(F)(F)F)n1 ZINC000162100468 349564588 /nfs/dbraw/zinc/56/45/88/349564588.db2.gz AILKASPYPXRITK-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@@H](CN)CC(C)C ZINC000042615057 168374442 /nfs/dbraw/zinc/37/44/42/168374442.db2.gz IHYQESSMKZMEEO-CQSZACIVSA-N 1 0 244.423 2.497 10 0 BEAERO CCC(CC)[N@H+](CCOC)C[C@@H](N)C(C)(C)C ZINC000042616077 168373950 /nfs/dbraw/zinc/37/39/50/168373950.db2.gz HCHZCUZTRIBRTR-CYBMUJFWSA-N 1 0 244.423 2.497 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)C(C)C ZINC000040502849 343999291 /nfs/dbraw/zinc/99/92/91/343999291.db2.gz ODMVJBNCHUGKBC-STQMWFEESA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]([NH3+])[C@](C)(O)c1cccc(Br)c1 ZINC000096985902 343999338 /nfs/dbraw/zinc/99/93/38/343999338.db2.gz OIRMXUMJCBWAQQ-XCBNKYQSSA-N 1 0 244.132 2.004 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2nccc3ccccc32)C1 ZINC000616613009 349601340 /nfs/dbraw/zinc/60/13/40/349601340.db2.gz GLZPZERKFLEZRW-ZDUSSCGKSA-N 1 0 242.322 2.016 10 0 BEAERO CCC(CC)NC(=O)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000049285526 168377079 /nfs/dbraw/zinc/37/70/79/168377079.db2.gz NDQMZWTYKAEZLB-WCQYABFASA-N 1 0 240.391 2.460 10 0 BEAERO C[N@@H+]1CC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616613072 349605608 /nfs/dbraw/zinc/60/56/08/349605608.db2.gz KQFSBDNAMRRUBV-GFCCVEGCSA-N 1 0 213.284 2.049 10 0 BEAERO c1cc2ccnnc2c([C@H]2CCCC[NH2+]2)c1 ZINC000616613270 349609313 /nfs/dbraw/zinc/60/93/13/349609313.db2.gz JOHADWAZKHKWBZ-GFCCVEGCSA-N 1 0 213.284 2.444 10 0 BEAERO C[NH+](C)CC[C@H](c1ccccc1)n1cc(N)cn1 ZINC000143827636 342669658 /nfs/dbraw/zinc/66/96/58/342669658.db2.gz DEWWGRMBFONECQ-CQSZACIVSA-N 1 0 244.342 2.006 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)[C@@H]1CCc2ccccc2C1 ZINC000005442202 342701756 /nfs/dbraw/zinc/70/17/56/342701756.db2.gz HWUHKUGQGSTAGB-HUUCEWRRSA-N 1 0 233.355 2.150 10 0 BEAERO CC(C)[NH2+]C[C@H](O)[C@@H]1CCc2ccccc2C1 ZINC000005442149 342701867 /nfs/dbraw/zinc/70/18/67/342701867.db2.gz HWUHKUGQGSTAGB-CABCVRRESA-N 1 0 233.355 2.150 10 0 BEAERO FCc1ccc2c(cccc2N2CC[NH2+]CC2)n1 ZINC000107262530 398276643 /nfs/dbraw/zinc/27/66/43/398276643.db2.gz NZYKEQVCXQQQBU-UHFFFAOYSA-N 1 0 245.301 2.114 10 0 BEAERO c1ccc2ncc(N3CCC[NH2+]CC3)cc2c1 ZINC000000023622 398277240 /nfs/dbraw/zinc/27/72/40/398277240.db2.gz ITPXKRKCDRCWLZ-UHFFFAOYSA-N 1 0 227.311 2.035 10 0 BEAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)CC ZINC000034938611 168382960 /nfs/dbraw/zinc/38/29/60/168382960.db2.gz JDDZJXMGOCZKMU-ZJUUUORDSA-N 1 0 214.353 2.068 10 0 BEAERO C[NH+](C)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 ZINC000004637976 342749728 /nfs/dbraw/zinc/74/97/28/342749728.db2.gz POFUCJDEJGFAAC-LBPRGKRZSA-N 1 0 242.322 2.399 10 0 BEAERO [NH3+][C@@H]1COc2c1cc(Br)cc2Cl ZINC000035653775 342754033 /nfs/dbraw/zinc/75/40/33/342754033.db2.gz AZRSAUCDYTWXQC-SSDOTTSWSA-N 1 0 248.507 2.495 10 0 BEAERO CCOC(=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000146021894 342764538 /nfs/dbraw/zinc/76/45/38/342764538.db2.gz BQIHCKZMDLJIEL-UHFFFAOYSA-N 1 0 248.326 2.251 10 0 BEAERO CCOC[C@H]1C[NH2+]C[C@H](COc2ccccc2)C1 ZINC000147202191 342774217 /nfs/dbraw/zinc/77/42/17/342774217.db2.gz VPIIFSRVINZEJQ-ZIAGYGMSSA-N 1 0 249.354 2.328 10 0 BEAERO [NH3+][C@@]12CN(Cc3ccccc3)C[C@@H]1CCCC2 ZINC000138218804 342800969 /nfs/dbraw/zinc/80/09/69/342800969.db2.gz YSRKXDRZBDXBAH-GJZGRUSLSA-N 1 0 230.355 2.390 10 0 BEAERO CCOC(=O)/C=C/[C@H](C)[NH2+]Cc1ccccc1 ZINC000148610110 342791999 /nfs/dbraw/zinc/79/19/99/342791999.db2.gz NCHVQJOWFMPMDV-VMPCVLLUSA-N 1 0 233.311 2.284 10 0 BEAERO CCC(CC)[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037642561 168391332 /nfs/dbraw/zinc/39/13/32/168391332.db2.gz AHGDIDVIMJSEFW-VIFPVBQESA-N 1 0 237.347 2.226 10 0 BEAERO CCC(CC)[NH2+][C@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037642562 168392734 /nfs/dbraw/zinc/39/27/34/168392734.db2.gz AHGDIDVIMJSEFW-SECBINFHSA-N 1 0 237.347 2.226 10 0 BEAERO C[C@H]([NH2+]CCC(N)=O)c1ccc(F)c(Cl)c1 ZINC000036746887 398287739 /nfs/dbraw/zinc/28/77/39/398287739.db2.gz VIKGHOLKXOSXEU-ZETCQYMHSA-N 1 0 244.697 2.005 10 0 BEAERO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCN(C)C1 ZINC000040672723 538972649 /nfs/dbraw/zinc/97/26/49/538972649.db2.gz FJTHYLCPZMNSTN-STQMWFEESA-N 1 0 236.359 2.285 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2)o1 ZINC000040671998 538972754 /nfs/dbraw/zinc/97/27/54/538972754.db2.gz WHWCZUQIGAHLJN-RYUDHWBXSA-N 1 0 222.332 2.333 10 0 BEAERO C[C@@H]([NH2+][C@@H]1C[C@H]1CO)[C@H](C)c1ccccc1 ZINC000378661334 538972879 /nfs/dbraw/zinc/97/28/79/538972879.db2.gz BNRQKNUEPZRTKD-UZGDPCLZSA-N 1 0 219.328 2.149 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCN(C)C1 ZINC000040672724 538972953 /nfs/dbraw/zinc/97/29/53/538972953.db2.gz FJTHYLCPZMNSTN-OLZOCXBDSA-N 1 0 236.359 2.285 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)o1 ZINC000040671997 538972997 /nfs/dbraw/zinc/97/29/97/538972997.db2.gz WHWCZUQIGAHLJN-NEPJUHHUSA-N 1 0 222.332 2.333 10 0 BEAERO Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1C[C@H]1CO ZINC000378661347 538973056 /nfs/dbraw/zinc/97/30/56/538973056.db2.gz BOYRIXVNQNMFDA-GXFFZTMASA-N 1 0 239.746 2.427 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccco1 ZINC000040671976 538973059 /nfs/dbraw/zinc/97/30/59/538973059.db2.gz PGHKIHOGAWVMJN-MNOVXSKESA-N 1 0 208.305 2.024 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1Sc1cccc(O)c1 ZINC000126953096 342807635 /nfs/dbraw/zinc/80/76/35/342807635.db2.gz AQYUHDFNSGDEGW-WDEREUQCSA-N 1 0 209.314 2.364 10 0 BEAERO OC[C@@H]([NH2+]C1CSC1)c1ccc(Cl)cc1 ZINC000379979769 538983239 /nfs/dbraw/zinc/98/32/39/538983239.db2.gz GSVRTLLDQHXNLN-LLVKDONJSA-N 1 0 243.759 2.078 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000379977007 538983450 /nfs/dbraw/zinc/98/34/50/538983450.db2.gz FBEFRYNVHKLDJX-WCBMZHEXSA-N 1 0 246.137 2.464 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]Cc1cocn1 ZINC000380001395 538983897 /nfs/dbraw/zinc/98/38/97/538983897.db2.gz MZPLBBZSKURMAR-GXSJLCMTSA-N 1 0 212.268 2.293 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2nccs2)C1 ZINC000381568361 539004378 /nfs/dbraw/zinc/00/43/78/539004378.db2.gz VSFMCONWJZSQII-HBNTYKKESA-N 1 0 239.388 2.134 10 0 BEAERO CCN1C[C@H]([NH2+][C@H](C)c2ccco2)[C@@H](C)C1 ZINC000381739428 539006342 /nfs/dbraw/zinc/00/63/42/539006342.db2.gz ORCCGOZKFQTYCP-TUAOUCFPSA-N 1 0 222.332 2.270 10 0 BEAERO CCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000382245048 539008530 /nfs/dbraw/zinc/00/85/30/539008530.db2.gz SSJZFJXNCUBCBJ-WUHRBBMRSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]([NH2+]Cc1ccccn1)[C@H]1CCCCO1 ZINC000381448988 539000712 /nfs/dbraw/zinc/00/07/12/539000712.db2.gz GKHJAPGOTHKFSG-DGCLKSJQSA-N 1 0 220.316 2.129 10 0 BEAERO C[C@@H]1C[C@@]2(CS1)[NH2+]C[C@@H](C)CS2 ZINC000226587280 342842473 /nfs/dbraw/zinc/84/24/73/342842473.db2.gz YFMNBZORCATZLI-IWSPIJDZSA-N 1 0 203.376 2.181 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1OC(=O)N1CCCCCC1 ZINC000136511763 259324748 /nfs/dbraw/zinc/32/47/48/259324748.db2.gz DWVCFGQPMZDWMS-NWDGAFQWSA-N 1 0 240.347 2.269 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000390549772 539026250 /nfs/dbraw/zinc/02/62/50/539026250.db2.gz OHJQRNJWXOMJKC-UMSGYPCISA-N 1 0 224.392 2.351 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]1)c1ccc(Cl)cn1 ZINC000710035564 539027818 /nfs/dbraw/zinc/02/78/18/539027818.db2.gz UXKWJZRSWXCUFJ-SECBINFHSA-N 1 0 224.691 2.060 10 0 BEAERO Cc1ccncc1N[C@@H](C)[C@@H]1CCCO1 ZINC000389730147 539017566 /nfs/dbraw/zinc/01/75/66/539017566.db2.gz SDLBURFQTXHFDD-JQWIXIFHSA-N 1 0 206.289 2.369 10 0 BEAERO C[C@@H](C[NH3+])Nc1cc(F)cc(Cl)c1 ZINC000229994611 342862869 /nfs/dbraw/zinc/86/28/69/342862869.db2.gz IYULYEXRKIULPG-LURJTMIESA-N 1 0 202.660 2.238 10 0 BEAERO CSCCNC1=[NH+][C@H](C)C[C@H](C)S1 ZINC000165017832 342868576 /nfs/dbraw/zinc/86/85/76/342868576.db2.gz GRMKZZGYFWJBHK-SFYZADRCSA-N 1 0 218.391 2.209 10 0 BEAERO C[C@H](CC[NH2+]Cc1ccc(Cl)o1)[S@@](C)=O ZINC000132555556 398306313 /nfs/dbraw/zinc/30/63/13/398306313.db2.gz GELIQLGGVLODBO-GLEZIHRCSA-N 1 0 249.763 2.180 10 0 BEAERO C[NH2+][C@H]1CSC[C@@H]1Cc1ccsc1 ZINC000134585608 342871135 /nfs/dbraw/zinc/87/11/35/342871135.db2.gz VPAPMHXFQYPUBC-UWVGGRQHSA-N 1 0 213.371 2.242 10 0 BEAERO CSCCCC[NH2+]C[C@H](O)C(C)(C)C ZINC000388663792 342876459 /nfs/dbraw/zinc/87/64/59/342876459.db2.gz AWYFBXWUOMROIA-JTQLQIEISA-N 1 0 219.394 2.126 10 0 BEAERO C[N@@H+]1CCC[C@@H]1[C@@H]1CCc2ccc(O)cc2O1 ZINC000034006218 342878388 /nfs/dbraw/zinc/87/83/88/342878388.db2.gz ZNYNSJDQHMXNFR-OLZOCXBDSA-N 1 0 233.311 2.180 10 0 BEAERO [NH3+]C1CCN(c2sccc2Cl)CC1 ZINC000229947146 342858365 /nfs/dbraw/zinc/85/83/65/342858365.db2.gz WRWAZMWYMBECGN-UHFFFAOYSA-N 1 0 216.737 2.329 10 0 BEAERO [NH3+]C1(C(=O)c2sccc2Cl)CCC1 ZINC000229958258 342860238 /nfs/dbraw/zinc/86/02/38/342860238.db2.gz OWHIFNIQMQIPGH-UHFFFAOYSA-N 1 0 215.705 2.466 10 0 BEAERO CC(C)(C)c1cnc(CSC(N)=[NH2+])o1 ZINC000038814235 342894928 /nfs/dbraw/zinc/89/49/28/342894928.db2.gz RHSQSEDOPLDGMY-UHFFFAOYSA-N 1 0 213.306 2.099 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2cccs2)cn1 ZINC000309096885 342890636 /nfs/dbraw/zinc/89/06/36/342890636.db2.gz DEQLJVXFHPJIMO-LLVKDONJSA-N 1 0 220.297 2.200 10 0 BEAERO C[NH+](C)C1(CNc2nsnc2Cl)CCC1 ZINC000165261523 342892566 /nfs/dbraw/zinc/89/25/66/342892566.db2.gz ICOFBMZTROQPQS-UHFFFAOYSA-N 1 0 246.767 2.088 10 0 BEAERO CC(C)([NH3+])c1csc(-c2cncs2)n1 ZINC000165258776 342892802 /nfs/dbraw/zinc/89/28/02/342892802.db2.gz UVHJZQKSCWGGES-UHFFFAOYSA-N 1 0 225.342 2.460 10 0 BEAERO CC[NH2+]CCCNc1nccc2occc21 ZINC000233512451 342910054 /nfs/dbraw/zinc/91/00/54/342910054.db2.gz GAAOFSBBBXFNOV-UHFFFAOYSA-N 1 0 219.288 2.239 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1Nc1nc(Cl)cs1 ZINC000165299396 342900545 /nfs/dbraw/zinc/90/05/45/342900545.db2.gz DEKBOZAPNDLRJE-NTSWFWBYSA-N 1 0 217.725 2.088 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1Nc1nc(Cl)cs1 ZINC000165299509 342900655 /nfs/dbraw/zinc/90/06/55/342900655.db2.gz DEKBOZAPNDLRJE-WDSKDSINSA-N 1 0 217.725 2.088 10 0 BEAERO CCOC(=O)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC000309177379 342903336 /nfs/dbraw/zinc/90/33/36/342903336.db2.gz YYKGKBSACUXPLY-GFCCVEGCSA-N 1 0 219.284 2.288 10 0 BEAERO Clc1csc(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000165305709 342903831 /nfs/dbraw/zinc/90/38/31/342903831.db2.gz BWHSSRGPWZMBRE-ZETCQYMHSA-N 1 0 231.752 2.208 10 0 BEAERO CCC(CC)[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842569 168407030 /nfs/dbraw/zinc/40/70/30/168407030.db2.gz AQVOKAQQWWQXDS-LBPRGKRZSA-N 1 0 233.315 2.292 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000162351403 349653174 /nfs/dbraw/zinc/65/31/74/349653174.db2.gz QLVZRKKPHBFAPF-CMPLNLGQSA-N 1 0 236.363 2.275 10 0 BEAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092917 398336030 /nfs/dbraw/zinc/33/60/30/398336030.db2.gz LLJGTTDSIHZYQO-IUCAKERBSA-N 1 0 240.734 2.255 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000392950145 398336359 /nfs/dbraw/zinc/33/63/59/398336359.db2.gz UKNHGNGDQHXWAU-MROQNXINSA-N 1 0 238.375 2.212 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)C[C@H](C)[NH3+])cc1 ZINC000037607858 398332431 /nfs/dbraw/zinc/33/24/31/398332431.db2.gz YHCPRDLZIHXWFE-QWRGUYRKSA-N 1 0 234.343 2.164 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037626144 398333303 /nfs/dbraw/zinc/33/33/03/398333303.db2.gz FOJNSMAHLOHLBE-WXRRBKDZSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@H]([NH3+])CC(=O)N1CCC(c2ccccc2)CC1 ZINC000037804567 398334502 /nfs/dbraw/zinc/33/45/02/398334502.db2.gz SIJQOLZGIXITRV-LBPRGKRZSA-N 1 0 246.354 2.130 10 0 BEAERO Fc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037988678 398335429 /nfs/dbraw/zinc/33/54/29/398335429.db2.gz IYEZIYBFXOUAII-ZDUSSCGKSA-N 1 0 223.291 2.484 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCc1ccccn1 ZINC000175340794 346893944 /nfs/dbraw/zinc/89/39/44/346893944.db2.gz BHUSGDHARGDXHQ-OAHLLOKOSA-N 1 0 247.386 2.040 10 0 BEAERO CCC[C@@H](C)[NH2+]C[C@@H](C)N(CC)CC ZINC000053485992 346901712 /nfs/dbraw/zinc/90/17/12/346901712.db2.gz VKPIRMDZMKWPTK-VXGBXAGGSA-N 1 0 200.370 2.495 10 0 BEAERO CCC[C@H](C)[NH2+]C[C@H](C)N(CC)CC ZINC000053486001 346901744 /nfs/dbraw/zinc/90/17/44/346901744.db2.gz VKPIRMDZMKWPTK-RYUDHWBXSA-N 1 0 200.370 2.495 10 0 BEAERO CC[N@@H+]1CCC[C@@H](NCc2csc(C)n2)C1 ZINC000040502568 346901806 /nfs/dbraw/zinc/90/18/06/346901806.db2.gz QQSMLSDALXWXNW-LLVKDONJSA-N 1 0 239.388 2.025 10 0 BEAERO [NH3+][C@@H]1CCCc2cccc(C(F)(F)F)c2[C@H]1O ZINC000019795548 342958157 /nfs/dbraw/zinc/95/81/57/342958157.db2.gz RGCPZIGGAZRYCZ-KOLCDFICSA-N 1 0 245.244 2.402 10 0 BEAERO [NH3+][C@H]1CCCc2ccc(C(F)(F)F)cc2[C@@H]1O ZINC000019795621 342958207 /nfs/dbraw/zinc/95/82/07/342958207.db2.gz VETYAZFXIGHOEL-QWRGUYRKSA-N 1 0 245.244 2.402 10 0 BEAERO Cc1nccn1-c1ccc([C@@H](C)[NH3+])cc1F ZINC000019872903 342960252 /nfs/dbraw/zinc/96/02/52/342960252.db2.gz OLYHKXCNZFOCTL-MRVPVSSYSA-N 1 0 219.263 2.340 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[NH3+] ZINC000037713125 342966803 /nfs/dbraw/zinc/96/68/03/342966803.db2.gz VKULFCBPUSIAEE-FRRDWIJNSA-N 1 0 212.381 2.386 10 0 BEAERO COC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000020262414 342978938 /nfs/dbraw/zinc/97/89/38/342978938.db2.gz ROHHPXSZRZTEOZ-VIFPVBQESA-N 1 0 219.206 2.352 10 0 BEAERO CC[NH2+][C@H](C)CN=c1[nH]c2ccccc2s1 ZINC000387493731 342979317 /nfs/dbraw/zinc/97/93/17/342979317.db2.gz ZVENNKJEKNDBSA-SECBINFHSA-N 1 0 235.356 2.128 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nccc2occc21 ZINC000235158721 342988751 /nfs/dbraw/zinc/98/87/51/342988751.db2.gz CGTRKLHRDBBOGK-BDAKNGLRSA-N 1 0 219.288 2.366 10 0 BEAERO CO[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043254690 343018815 /nfs/dbraw/zinc/01/88/15/343018815.db2.gz BTOHXSABOAQQCW-SVGQVSJJSA-N 1 0 205.710 2.436 10 0 BEAERO CCC(CC)(C[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000309211056 259342537 /nfs/dbraw/zinc/34/25/37/259342537.db2.gz DNTJZWPKWXFJMK-NSHDSACASA-N 1 0 231.380 2.188 10 0 BEAERO CC(C)(C)[C@@H](C[NH3+])n1cc(Cl)cn1 ZINC000043294964 343038029 /nfs/dbraw/zinc/03/80/29/343038029.db2.gz NDNCQGDGOXHUHG-MRVPVSSYSA-N 1 0 201.701 2.082 10 0 BEAERO Cc1ccccc1C[C@H](C)[NH2+]CC[C@@H](C)O ZINC000119056780 343065867 /nfs/dbraw/zinc/06/58/67/343065867.db2.gz XOHKSSDJCOMTPM-QWHCGFSZSA-N 1 0 221.344 2.287 10 0 BEAERO CC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000119220437 343069625 /nfs/dbraw/zinc/06/96/25/343069625.db2.gz OLCGLYXESLRABC-LPEHRKFASA-N 1 0 239.281 2.468 10 0 BEAERO COc1cc([C@@H]2CCC[NH2+]2)cc(Cl)c1O ZINC000072202428 343071530 /nfs/dbraw/zinc/07/15/30/343071530.db2.gz BCSMAWNZVNCTDC-VIFPVBQESA-N 1 0 227.691 2.479 10 0 BEAERO C[C@H]([NH3+])c1csc(-c2ccns2)n1 ZINC000404456392 343071791 /nfs/dbraw/zinc/07/17/91/343071791.db2.gz MWRSUSGTPRMMCH-YFKPBYRVSA-N 1 0 211.315 2.286 10 0 BEAERO [NH3+][C@@H]1CC[C@H](Oc2nc(Cl)cs2)C1 ZINC000165390612 343074153 /nfs/dbraw/zinc/07/41/53/343074153.db2.gz YGIMJWCIRZVUMX-RITPCOANSA-N 1 0 218.709 2.055 10 0 BEAERO Cc1ccsc1[C@@H]([NH3+])c1cccnc1 ZINC000042728850 362021006 /nfs/dbraw/zinc/02/10/06/362021006.db2.gz DKTXEEGHWZVVOV-JTQLQIEISA-N 1 0 204.298 2.500 10 0 BEAERO FC(F)(F)c1ccn([C@H]2CCCC[NH2+]2)n1 ZINC000584880850 343081509 /nfs/dbraw/zinc/08/15/09/343081509.db2.gz JHDBXMGBZRCGMX-QMMMGPOBSA-N 1 0 219.210 2.174 10 0 BEAERO CCOC[C@]1(C)[NH2+]CCc2sccc21 ZINC000306662688 362021856 /nfs/dbraw/zinc/02/18/56/362021856.db2.gz UNKBNJFUHYXREE-NSHDSACASA-N 1 0 211.330 2.146 10 0 BEAERO CC[C@@H]([NH3+])C(=O)Nc1ccsc1Cl ZINC000306664393 362022032 /nfs/dbraw/zinc/02/20/32/362022032.db2.gz RXXIBVZQEAYVGW-RXMQYKEDSA-N 1 0 218.709 2.077 10 0 BEAERO Cc1cc2[nH+]cc(N)c(N)c2c(C)c1Cl ZINC000584882034 343083593 /nfs/dbraw/zinc/08/35/93/343083593.db2.gz JQTNXVFJPZEUOA-UHFFFAOYSA-N 1 0 221.691 2.500 10 0 BEAERO CCNc1c(N)c[nH+]c2cc(F)c(C)cc21 ZINC000584882338 343084660 /nfs/dbraw/zinc/08/46/60/343084660.db2.gz CRJYROTYFJOSNR-UHFFFAOYSA-N 1 0 219.263 2.118 10 0 BEAERO Nc1c[nH+]c2ccc(Cl)c(F)c2c1N ZINC000584882232 343084811 /nfs/dbraw/zinc/08/48/11/343084811.db2.gz VRQLNPXYFUBDCB-UHFFFAOYSA-N 1 0 211.627 2.022 10 0 BEAERO CCNc1c(N)cnc2c(F)ccc(C)c21 ZINC000584882564 343085138 /nfs/dbraw/zinc/08/51/38/343085138.db2.gz KRAXLSWHGVAOQN-UHFFFAOYSA-N 1 0 219.263 2.118 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+][C@@H](C(C)(C)C)C1 ZINC000584882963 343085551 /nfs/dbraw/zinc/08/55/51/343085551.db2.gz CBGRHXKJNFCPLV-VHSXEESVSA-N 1 0 242.363 2.288 10 0 BEAERO CC[C@H]1CC[C@@H](C[NH3+])N(C(=O)OC(C)(C)C)C1 ZINC000584883218 343086031 /nfs/dbraw/zinc/08/60/31/343086031.db2.gz KUIOAZRDHYMGNA-QWRGUYRKSA-N 1 0 242.363 2.371 10 0 BEAERO C[C@@H]1Cc2ccsc2C2(CCOCC2)[NH2+]1 ZINC000584883910 343087419 /nfs/dbraw/zinc/08/74/19/343087419.db2.gz XFACSIOYIHYYPR-SECBINFHSA-N 1 0 223.341 2.288 10 0 BEAERO [NH3+]CCc1c[nH]c2cc(Cl)c(F)cc12 ZINC000146313788 343075894 /nfs/dbraw/zinc/07/58/94/343075894.db2.gz JBZFTKREFKPKPD-UHFFFAOYSA-N 1 0 212.655 2.462 10 0 BEAERO [NH3+]CCc1c[nH]c2ccc(F)c(Cl)c12 ZINC000238567838 343077128 /nfs/dbraw/zinc/07/71/28/343077128.db2.gz KDSQGXDZYOUSBB-UHFFFAOYSA-N 1 0 212.655 2.462 10 0 BEAERO C1=[NH+]C[C@@H](Cc2ccc3ccccc3c2)N1 ZINC000013862084 343107458 /nfs/dbraw/zinc/10/74/58/343107458.db2.gz ZGMWARJWHBDXGJ-CQSZACIVSA-N 1 0 210.280 2.382 10 0 BEAERO CC(C)(C)C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000050348685 343147393 /nfs/dbraw/zinc/14/73/93/343147393.db2.gz SAGGOERADSRRSY-UHFFFAOYSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000234032312 343124288 /nfs/dbraw/zinc/12/42/88/343124288.db2.gz BAGHFJKUKZIHPI-HXFLIBJXSA-N 1 0 205.392 2.349 10 0 BEAERO CC(C)C(=O)Nc1cccc(C2CC[NH2+]CC2)n1 ZINC000143540464 343126204 /nfs/dbraw/zinc/12/62/04/343126204.db2.gz IJUSBXADLQWPCV-UHFFFAOYSA-N 1 0 247.342 2.143 10 0 BEAERO CC(=O)Oc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000309301402 343128324 /nfs/dbraw/zinc/12/83/24/343128324.db2.gz VFTQOZHLTMRDLU-ZDUSSCGKSA-N 1 0 219.284 2.427 10 0 BEAERO CC1(C)C[C@@H](CO)C[N@@H+]1Cc1ccccc1 ZINC000259478555 343130026 /nfs/dbraw/zinc/13/00/26/343130026.db2.gz RFTGBAOGTLSXQW-CYBMUJFWSA-N 1 0 219.328 2.279 10 0 BEAERO CC[C@H](C(N)=S)[NH+]1CCCCCCC1 ZINC000043539609 343132270 /nfs/dbraw/zinc/13/22/70/343132270.db2.gz IYXKLPNNXJAKBR-SNVBAGLBSA-N 1 0 214.378 2.317 10 0 BEAERO O=C(CCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000036449015 343142980 /nfs/dbraw/zinc/14/29/80/343142980.db2.gz RYHPEFWNVXMJNR-ZDUSSCGKSA-N 1 0 217.312 2.330 10 0 BEAERO COC[C@H](C)CNc1ccc2c([nH+]1)CCC2 ZINC000127591095 343178504 /nfs/dbraw/zinc/17/85/04/343178504.db2.gz UCUSPSGVXZPGLX-SNVBAGLBSA-N 1 0 220.316 2.265 10 0 BEAERO CC[C@H](C)CN(CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000093254762 343151227 /nfs/dbraw/zinc/15/12/27/343151227.db2.gz CAZKMVPECUMBGM-STQMWFEESA-N 1 0 240.391 2.271 10 0 BEAERO CC[C@@H](C)CN(CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000093254761 343151333 /nfs/dbraw/zinc/15/13/33/343151333.db2.gz CAZKMVPECUMBGM-OLZOCXBDSA-N 1 0 240.391 2.271 10 0 BEAERO CC(C)Oc1ccccc1[C@@H](C)N[C@H]1CC[NH2+]C1 ZINC000094080467 343152513 /nfs/dbraw/zinc/15/25/13/343152513.db2.gz OQHIZZXEUSNQAI-OLZOCXBDSA-N 1 0 248.370 2.486 10 0 BEAERO Cc1cnccc1C[NH2+]CCOC(C)(C)C ZINC000129760534 343184927 /nfs/dbraw/zinc/18/49/27/343184927.db2.gz AHQLVAQDRFWMTE-UHFFFAOYSA-N 1 0 222.332 2.295 10 0 BEAERO CC1(C)CCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094327569 343156197 /nfs/dbraw/zinc/15/61/97/343156197.db2.gz ZYJRVNVHQVYYBI-NEPJUHHUSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000094665986 343156572 /nfs/dbraw/zinc/15/65/72/343156572.db2.gz PMAWKBABWYAIQW-LBPRGKRZSA-N 1 0 247.342 2.027 10 0 BEAERO Nc1cc[nH+]c(NCc2cccc(F)c2)c1 ZINC000043568482 343173079 /nfs/dbraw/zinc/17/30/79/343173079.db2.gz KVNZGBFFHLBCQN-UHFFFAOYSA-N 1 0 217.247 2.415 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ncccc1Cl ZINC000165756762 343212422 /nfs/dbraw/zinc/21/24/22/343212422.db2.gz QJLMCJPXUUIZKY-JGVFFNPUSA-N 1 0 213.712 2.273 10 0 BEAERO [NH3+]Cc1ccc(C(=O)NCCCC2CC2)cc1 ZINC000133373525 343190319 /nfs/dbraw/zinc/19/03/19/343190319.db2.gz VMUCXKZVTZAZDO-UHFFFAOYSA-N 1 0 232.327 2.065 10 0 BEAERO C[C@@H]1C[NH2+]CCCCN1c1ccccc1 ZINC000238396237 343255596 /nfs/dbraw/zinc/25/55/96/343255596.db2.gz SNSNEOQYPHSDBT-GFCCVEGCSA-N 1 0 204.317 2.265 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1OC ZINC000032014514 343228464 /nfs/dbraw/zinc/22/84/64/343228464.db2.gz YYAVNFDQCFRVPU-ZYHUDNBSSA-N 1 0 223.316 2.117 10 0 BEAERO [NH3+][C@@H](CCO)c1ccc2ccccc2c1 ZINC000032099009 343229244 /nfs/dbraw/zinc/22/92/44/343229244.db2.gz KCFXGMLFKOPOPM-ZDUSSCGKSA-N 1 0 201.269 2.222 10 0 BEAERO CC[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000043591464 343241802 /nfs/dbraw/zinc/24/18/02/343241802.db2.gz IVEQHBUGSUBMPZ-STQMWFEESA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C(C)C ZINC000043591470 343241954 /nfs/dbraw/zinc/24/19/54/343241954.db2.gz IVEQHBUGSUBMPZ-CHWSQXEVSA-N 1 0 240.391 2.317 10 0 BEAERO COc1cccc(C[NH2+][C@H](C)C(C)C)n1 ZINC000069637536 343287619 /nfs/dbraw/zinc/28/76/19/343287619.db2.gz HMDJKTBUQYXOMT-SNVBAGLBSA-N 1 0 208.305 2.224 10 0 BEAERO C[C@H](C[NH3+])c1cnc2ccc(Cl)cn21 ZINC000033507410 343256089 /nfs/dbraw/zinc/25/60/89/343256089.db2.gz REXKGMNJJBVTLL-SSDOTTSWSA-N 1 0 209.680 2.050 10 0 BEAERO C[C@@H]1[C@@H]2Cc3ccccc3[C@@]1(C)CC[NH2+]2 ZINC000238443124 343257435 /nfs/dbraw/zinc/25/74/35/343257435.db2.gz AOCXXQNURLBPMB-SWHYSGLUSA-N 1 0 201.313 2.498 10 0 BEAERO CCc1c(C[NH+](C)C)cccc1OC(C)=O ZINC000034153959 343265684 /nfs/dbraw/zinc/26/56/84/343265684.db2.gz KCKLKYSVKSSGAB-UHFFFAOYSA-N 1 0 221.300 2.236 10 0 BEAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000084225546 136290958 /nfs/dbraw/zinc/29/09/58/136290958.db2.gz OCQRZCXKBUXYRQ-QWRGUYRKSA-N 1 0 240.372 2.011 10 0 BEAERO C[NH+](C)CCC[C@@H]1Cc2ccccc2C1=O ZINC000034586262 343275326 /nfs/dbraw/zinc/27/53/26/343275326.db2.gz WXUPJSRQWRDIFJ-GFCCVEGCSA-N 1 0 217.312 2.383 10 0 BEAERO [NH3+][C@@H]1CCOc2c(Br)cc(F)cc21 ZINC000036928685 343327924 /nfs/dbraw/zinc/32/79/24/343327924.db2.gz NJWYNRUZEDPIDT-MRVPVSSYSA-N 1 0 246.079 2.371 10 0 BEAERO COC(=O)C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000035751858 343303801 /nfs/dbraw/zinc/30/38/01/343303801.db2.gz QHPOOEXYBVPKDB-LLVKDONJSA-N 1 0 221.300 2.070 10 0 BEAERO Cn1ccnc1C[NH2+]CCSc1ccccc1 ZINC000037855483 343358243 /nfs/dbraw/zinc/35/82/43/343358243.db2.gz SCRBALLUYNVKFN-UHFFFAOYSA-N 1 0 247.367 2.302 10 0 BEAERO COCCCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000170901311 536873110 /nfs/dbraw/zinc/87/31/10/536873110.db2.gz RPPOEBZBHVASQM-NSHDSACASA-N 1 0 217.378 2.240 10 0 BEAERO [NH3+][C@H](CO)c1cccc(Oc2ccccc2)c1 ZINC000038124687 343371582 /nfs/dbraw/zinc/37/15/82/343371582.db2.gz VHTXXANHTMMDDV-CQSZACIVSA-N 1 0 229.279 2.471 10 0 BEAERO C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037258064 343341843 /nfs/dbraw/zinc/34/18/43/343341843.db2.gz LBYVAQFEYWZSCA-RNCFNFMXSA-N 1 0 223.291 2.247 10 0 BEAERO COC(C[NH2+][C@@H](C)c1ccccc1C)OC ZINC000037473045 343346341 /nfs/dbraw/zinc/34/63/41/343346341.db2.gz ROSCREXUYLAVME-NSHDSACASA-N 1 0 223.316 2.265 10 0 BEAERO Nc1c2cc(O)ccc2[nH+]c2c1CCCC2 ZINC000028397705 343378558 /nfs/dbraw/zinc/37/85/58/343378558.db2.gz MFYFDYREFFENNR-UHFFFAOYSA-N 1 0 214.268 2.401 10 0 BEAERO COC(=O)[C@@H](CC(C)(C)C)NCC(C)C ZINC000061840417 344032205 /nfs/dbraw/zinc/03/22/05/344032205.db2.gz VLGPZXZRXABTQC-SNVBAGLBSA-N 1 0 215.337 2.210 10 0 BEAERO CN1c2ccccc2S/C1=C/C1=[NH+]CCN1 ZINC000039122825 343385889 /nfs/dbraw/zinc/38/58/89/343385889.db2.gz ZSZSFIYDAPBMLH-XYOKQWHBSA-N 1 0 231.324 2.072 10 0 BEAERO C[C@@]12CC[N@H+](CC3(O)CCCC3)C[C@@H]1C2(F)F ZINC000335731834 136349041 /nfs/dbraw/zinc/34/90/41/136349041.db2.gz FOGYLHCRMZVLIN-WDEREUQCSA-N 1 0 245.313 2.269 10 0 BEAERO CCC(CC)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177741784 346938171 /nfs/dbraw/zinc/93/81/71/346938171.db2.gz ADMNQHTZPZZPEY-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1csc(S[C@H]2CCC[NH2+]C2)n1 ZINC000043501626 343475923 /nfs/dbraw/zinc/47/59/23/343475923.db2.gz AHUQZIMLHXXZQI-QMMMGPOBSA-N 1 0 214.359 2.296 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C)C12CCC2 ZINC000083684801 343496241 /nfs/dbraw/zinc/49/62/41/343496241.db2.gz WGPDCOZKZKQQEV-WHOHXGKFSA-N 1 0 209.333 2.332 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000308733913 488220837 /nfs/dbraw/zinc/22/08/37/488220837.db2.gz XXLYCBMMSCMYAU-YVECIDJPSA-N 1 0 209.333 2.022 10 0 BEAERO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000082944060 343472222 /nfs/dbraw/zinc/47/22/22/343472222.db2.gz NHMZUALILPJGPG-QTKMDUPCSA-N 1 0 209.333 2.188 10 0 BEAERO CC(C)[NH2+]CCC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000044678841 343512126 /nfs/dbraw/zinc/51/21/26/343512126.db2.gz UTOCXAJMUNVSCW-KBPBESRZSA-N 1 0 246.354 2.047 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](OC(F)(F)F)C1 ZINC000616613854 343520873 /nfs/dbraw/zinc/52/08/73/343520873.db2.gz STTWNJZAXQNISR-ZETCQYMHSA-N 1 0 211.227 2.396 10 0 BEAERO OCC[N@@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616656338 343531907 /nfs/dbraw/zinc/53/19/07/343531907.db2.gz VUWAGVWNENBIEJ-GFCCVEGCSA-N 1 0 237.318 2.388 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc(N)cc2)C1 ZINC000616660502 343532917 /nfs/dbraw/zinc/53/29/17/343532917.db2.gz LUUACSOFHIKCTB-ZDUSSCGKSA-N 1 0 234.343 2.093 10 0 BEAERO C[N@H+](CCO)C[C@@H]1CCc2ccc(Cl)cc21 ZINC000163962961 343533562 /nfs/dbraw/zinc/53/35/62/343533562.db2.gz IDCNHGMCXHVFAG-NSHDSACASA-N 1 0 239.746 2.294 10 0 BEAERO Cn1cc(C[NH2+]C(C)(C)CO)c2ccccc21 ZINC000045944970 343536156 /nfs/dbraw/zinc/53/61/56/343536156.db2.gz CGGLWARFTARZOI-UHFFFAOYSA-N 1 0 232.327 2.039 10 0 BEAERO CC1CCC(C[NH2+]CC2(O)CCC2)CC1 ZINC000130791149 133492544 /nfs/dbraw/zinc/49/25/44/133492544.db2.gz WUPBLZUJAVRBNH-UHFFFAOYSA-N 1 0 211.349 2.317 10 0 BEAERO CC[C@H]([NH3+])Cc1occc1Br ZINC000044409501 343499843 /nfs/dbraw/zinc/49/98/43/343499843.db2.gz HWQKUKDHKAFXKD-LURJTMIESA-N 1 0 218.094 2.322 10 0 BEAERO Cc1nnsc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712545563 537791526 /nfs/dbraw/zinc/79/15/26/537791526.db2.gz RLZDINSYISRBPP-MRVPVSSYSA-N 1 0 237.353 2.143 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000309486822 343603981 /nfs/dbraw/zinc/60/39/81/343603981.db2.gz VRERNZUKHKXKNA-CHWSQXEVSA-N 1 0 222.376 2.393 10 0 BEAERO CCOC1CC2(C1)[NH2+]CCc1ccsc12 ZINC000712559675 537793130 /nfs/dbraw/zinc/79/31/30/537793130.db2.gz ZZEHREXNLVWHFX-UHFFFAOYSA-N 1 0 223.341 2.288 10 0 BEAERO c1cc2c(s1)[C@@H](c1cnsc1)[NH2+]CC2 ZINC000712923373 537796714 /nfs/dbraw/zinc/79/67/14/537796714.db2.gz LFWQBDUZKOLCEN-SECBINFHSA-N 1 0 222.338 2.440 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1cccc(F)c1 ZINC000054685978 343690697 /nfs/dbraw/zinc/69/06/97/343690697.db2.gz RQJBXOAQMIQBTG-HUUCEWRRSA-N 1 0 245.297 2.429 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000221688422 346953019 /nfs/dbraw/zinc/95/30/19/346953019.db2.gz KIMYANVRAWRQBF-KXUCPTDWSA-N 1 0 214.378 2.029 10 0 BEAERO Cc1nc(NCc2ccccc2)c(C)c(N)[nH+]1 ZINC000128360809 346954169 /nfs/dbraw/zinc/95/41/69/346954169.db2.gz MQDQPLBQWDTUEP-UHFFFAOYSA-N 1 0 228.299 2.288 10 0 BEAERO O[C@@H]1C[N@H+](Cc2ccccc2)CCC12CC2 ZINC000059068305 343704895 /nfs/dbraw/zinc/70/48/95/343704895.db2.gz JWSLQKOQLDDQHH-CYBMUJFWSA-N 1 0 217.312 2.033 10 0 BEAERO CC(C)[C@@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000083936795 343686117 /nfs/dbraw/zinc/68/61/17/343686117.db2.gz RHAKCEYKEQYTCO-BPCQOVAHSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1nc(C[NH3+])cc(-c2ccc(F)cc2)n1 ZINC000020388434 343775080 /nfs/dbraw/zinc/77/50/80/343775080.db2.gz JYLDXCMCBYHKRY-UHFFFAOYSA-N 1 0 217.247 2.050 10 0 BEAERO Cc1ccc(CC[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000090015186 343749844 /nfs/dbraw/zinc/74/98/44/343749844.db2.gz ZIDIECMKYWTZFY-JSGCOSHPSA-N 1 0 219.328 2.305 10 0 BEAERO Cc1csc(C[NH2+]Cc2cnn(C)c2C)c1 ZINC000344617397 343763719 /nfs/dbraw/zinc/76/37/19/343763719.db2.gz VIBJSUMXJHJELB-UHFFFAOYSA-N 1 0 235.356 2.388 10 0 BEAERO CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000036199905 343779689 /nfs/dbraw/zinc/77/96/89/343779689.db2.gz XOMQTXVBZMYSNO-ZDUSSCGKSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)(C)c1ccc(-n2cc(C[NH3+])nn2)cc1 ZINC000050224105 343782449 /nfs/dbraw/zinc/78/24/49/343782449.db2.gz IDNVPIJAORGWAT-UHFFFAOYSA-N 1 0 230.315 2.024 10 0 BEAERO C[C@H]1CCCCN1c1cc(N)[nH+]c(C2CC2)n1 ZINC000126858911 343786607 /nfs/dbraw/zinc/78/66/07/343786607.db2.gz NNWSRUQEKHUIMB-VIFPVBQESA-N 1 0 232.331 2.315 10 0 BEAERO CNc1cc(N2CCCCC2)nc(C2CC2)[nH+]1 ZINC000126871586 343786623 /nfs/dbraw/zinc/78/66/23/343786623.db2.gz PVGIVQPAMQKWHH-UHFFFAOYSA-N 1 0 232.331 2.386 10 0 BEAERO CCc1cc(CC)n(C[C@H]2CCC[NH2+]C2)n1 ZINC000132500177 343788156 /nfs/dbraw/zinc/78/81/56/343788156.db2.gz JYQFCUUZRZXTIJ-NSHDSACASA-N 1 0 221.348 2.008 10 0 BEAERO c1cc2c(ccnc2N[C@H]2CC[NH2+]C2)s1 ZINC000052093761 343789593 /nfs/dbraw/zinc/78/95/93/343789593.db2.gz ONZLITGEEHELNE-QMMMGPOBSA-N 1 0 219.313 2.070 10 0 BEAERO c1cc2c(ccnc2N[C@@H]2CC[NH2+]C2)s1 ZINC000052093760 343789612 /nfs/dbraw/zinc/78/96/12/343789612.db2.gz ONZLITGEEHELNE-MRVPVSSYSA-N 1 0 219.313 2.070 10 0 BEAERO Cc1ccc(-c2nc([C@@H]3CC[NH2+]C3)no2)cc1 ZINC000216413123 343792593 /nfs/dbraw/zinc/79/25/93/343792593.db2.gz GCXMKIKTJYDJIC-LLVKDONJSA-N 1 0 229.283 2.122 10 0 BEAERO Cn1nc([C@@H]2CCCC[NH2+]2)c2c1CCCC2 ZINC000215731217 343792640 /nfs/dbraw/zinc/79/26/40/343792640.db2.gz PZUQSGSURYAABT-NSHDSACASA-N 1 0 219.332 2.114 10 0 BEAERO C[C@@H]([NH3+])c1cnn(CCOCc2ccccc2)c1 ZINC000380990654 343796872 /nfs/dbraw/zinc/79/68/72/343796872.db2.gz KZPYMKPSZYSABV-GFCCVEGCSA-N 1 0 245.326 2.120 10 0 BEAERO CN(C)c1ccc([C@H]2C[NH2+]C[C@H]2CF)cc1 ZINC000409421971 343812333 /nfs/dbraw/zinc/81/23/33/343812333.db2.gz ARFMLVDSIVEQAW-DGCLKSJQSA-N 1 0 222.307 2.025 10 0 BEAERO C[NH2+]C[C@@H](CC(F)(F)F)C1CCOCC1 ZINC000409425279 343818649 /nfs/dbraw/zinc/81/86/49/343818649.db2.gz KKOMGNQHPFQMLM-SECBINFHSA-N 1 0 225.254 2.201 10 0 BEAERO C[NH2+]C[C@H]1[C@H](c2cccs2)C1(F)F ZINC000409432273 343825603 /nfs/dbraw/zinc/82/56/03/343825603.db2.gz NECQZNUGMPPRGH-POYBYMJQSA-N 1 0 203.257 2.316 10 0 BEAERO CCCCN(Cc1ccccc1)C(=O)CC[NH3+] ZINC000409430158 343807497 /nfs/dbraw/zinc/80/74/97/343807497.db2.gz UVDRSCLNOGCTSS-UHFFFAOYSA-N 1 0 234.343 2.164 10 0 BEAERO CCc1cc(-c2ccsc2)nn1CC[NH3+] ZINC000409441306 343856232 /nfs/dbraw/zinc/85/62/32/343856232.db2.gz QTAOEPWJBSFPHK-UHFFFAOYSA-N 1 0 221.329 2.133 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)SC2 ZINC000159055222 346995128 /nfs/dbraw/zinc/99/51/28/346995128.db2.gz NTISIMRZMWCDFF-HQJQHLMTSA-N 1 0 209.314 2.330 10 0 BEAERO c1coc(-c2cnn(C[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000409436784 343841256 /nfs/dbraw/zinc/84/12/56/343841256.db2.gz AOBVQANNYZUMJC-LBPRGKRZSA-N 1 0 231.299 2.285 10 0 BEAERO c1cc(-c2cnn(C[C@H]3CCCC[NH2+]3)c2)co1 ZINC000409436882 343841398 /nfs/dbraw/zinc/84/13/98/343841398.db2.gz BXNYHXVTJMOCEI-CYBMUJFWSA-N 1 0 231.299 2.285 10 0 BEAERO CCn1nc(-c2ccsc2)c2c1CC[NH2+]C2 ZINC000409437063 343842260 /nfs/dbraw/zinc/84/22/60/343842260.db2.gz DDDMFGFMLRYGPX-UHFFFAOYSA-N 1 0 233.340 2.277 10 0 BEAERO C[N@@H+]1C[C@H](CO)C[C@@H]1c1ccc(Cl)cc1 ZINC000409437625 343843067 /nfs/dbraw/zinc/84/30/67/343843067.db2.gz AKWHEZZITCJFAD-BXKDBHETSA-N 1 0 225.719 2.325 10 0 BEAERO [NH3+]Cc1cn(CCF)nc1-c1ccsc1 ZINC000409438806 343845305 /nfs/dbraw/zinc/84/53/05/343845305.db2.gz MLRIYBDGWOZVPF-UHFFFAOYSA-N 1 0 225.292 2.040 10 0 BEAERO CCn1cc(CC(N)=[NH2+])c(-c2ccccc2)n1 ZINC000409439007 343845821 /nfs/dbraw/zinc/84/58/21/343845821.db2.gz NNZBCOWHTCWVNP-UHFFFAOYSA-N 1 0 228.299 2.048 10 0 BEAERO Cc1nc(C[NH3+])cc(Cc2ccccc2Cl)n1 ZINC000409439330 343846720 /nfs/dbraw/zinc/84/67/20/343846720.db2.gz QWKXLJQBPMQGIS-UHFFFAOYSA-N 1 0 247.729 2.488 10 0 BEAERO CC(C)Cn1cc(C[NH3+])c(-c2ccccn2)n1 ZINC000409439778 343848391 /nfs/dbraw/zinc/84/83/91/343848391.db2.gz QQYDERAYLLRZAW-UHFFFAOYSA-N 1 0 230.315 2.060 10 0 BEAERO C[NH2+][C@H](Cc1cccc(F)c1)c1nccn1C ZINC000069473590 537822859 /nfs/dbraw/zinc/82/28/59/537822859.db2.gz LNSSMHBUKUELQS-GFCCVEGCSA-N 1 0 233.290 2.062 10 0 BEAERO [NH3+]Cc1c(-c2ccsc2)n[nH]c1C1CC1 ZINC000409438266 343850392 /nfs/dbraw/zinc/85/03/92/343850392.db2.gz BXEHTDDHDQVLGN-UHFFFAOYSA-N 1 0 219.313 2.474 10 0 BEAERO Cc1nc(C)c(CO[C@H]2CCC[NH2+]C2)s1 ZINC000585144331 343879443 /nfs/dbraw/zinc/87/94/43/343879443.db2.gz LMEKQIZAUKGIPE-JTQLQIEISA-N 1 0 226.345 2.029 10 0 BEAERO c1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c[nH]1 ZINC000179855207 347000043 /nfs/dbraw/zinc/00/00/43/347000043.db2.gz UZYGSNDQGGFKJH-GFCCVEGCSA-N 1 0 230.315 2.117 10 0 BEAERO CC(C)[C@@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)C1 ZINC000159062748 347000456 /nfs/dbraw/zinc/00/04/56/347000456.db2.gz WDAIUTDFZLACOE-VXGBXAGGSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H](CNc1cc(Cl)nnc1Cl)[NH+](C)C ZINC000127160684 343861051 /nfs/dbraw/zinc/86/10/51/343861051.db2.gz YXNRRLJGFVZZAV-LURJTMIESA-N 1 0 249.145 2.145 10 0 BEAERO [NH3+]CCc1cc(-c2cccs2)nn1CCF ZINC000409443207 343865990 /nfs/dbraw/zinc/86/59/90/343865990.db2.gz IYAFCSDREUQXOS-UHFFFAOYSA-N 1 0 239.319 2.082 10 0 BEAERO C[NH2+]CCCc1cnn(CCc2ccccc2)c1 ZINC000575623385 343875470 /nfs/dbraw/zinc/87/54/70/343875470.db2.gz NUORTZHTLRTAIQ-UHFFFAOYSA-N 1 0 243.354 2.278 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000084223346 178611213 /nfs/dbraw/zinc/61/12/13/178611213.db2.gz BAMGMULBPYFZCD-KBPBESRZSA-N 1 0 219.328 2.246 10 0 BEAERO CC[C@H]([NH3+])c1ccc(OC)c(OC)c1OC ZINC000036200735 343970636 /nfs/dbraw/zinc/97/06/36/343970636.db2.gz JCCKAQKNYZUQIV-VIFPVBQESA-N 1 0 225.288 2.122 10 0 BEAERO C[C@@H]1CO[C@@H](c2csc(Cl)c2)C[NH2+]1 ZINC000235338145 343957525 /nfs/dbraw/zinc/95/75/25/343957525.db2.gz LSERJZILOLLMQI-HTRCEHHLSA-N 1 0 217.721 2.451 10 0 BEAERO C[NH2+]Cc1ncoc1-c1ccc(Cl)o1 ZINC000234382346 343960252 /nfs/dbraw/zinc/96/02/52/343960252.db2.gz YIAIGWUAHLUGNC-UHFFFAOYSA-N 1 0 212.636 2.307 10 0 BEAERO C[NH2+][C@@]1(c2nc(C)cs2)CCS[C@H]1C ZINC000234443251 343966427 /nfs/dbraw/zinc/96/64/27/343966427.db2.gz BMVJYLWVLAQLJF-WPRPVWTQSA-N 1 0 228.386 2.392 10 0 BEAERO CSC[C@H](C)Nc1cc(N)c(C)c[nH+]1 ZINC000127247729 344078664 /nfs/dbraw/zinc/07/86/64/344078664.db2.gz IIMVZGXXALPHPQ-QMMMGPOBSA-N 1 0 211.334 2.136 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641303416 362352021 /nfs/dbraw/zinc/35/20/21/362352021.db2.gz DEELFGBBVXBVHF-LBPRGKRZSA-N 1 0 246.358 2.250 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC(F)(F)CC1 ZINC000634737887 344142382 /nfs/dbraw/zinc/14/23/82/344142382.db2.gz BLUMZVNOHWDTMU-JTQLQIEISA-N 1 0 248.317 2.008 10 0 BEAERO Cc1cc(Cl)ccc1[C@@H]1COC(=[NH2+])N1 ZINC000235864886 344150186 /nfs/dbraw/zinc/15/01/86/344150186.db2.gz VICOLHFTEAKJRI-VIFPVBQESA-N 1 0 210.664 2.034 10 0 BEAERO [NH3+]CCCNc1ccc(Br)c(F)c1 ZINC000135307301 344158373 /nfs/dbraw/zinc/15/83/73/344158373.db2.gz GAGORIBSFRPCKT-UHFFFAOYSA-N 1 0 247.111 2.349 10 0 BEAERO C/C=C(/C)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616571854 344181711 /nfs/dbraw/zinc/18/17/11/344181711.db2.gz NVQGFTIEHDKXDN-WZUFQYTHSA-N 1 0 238.375 2.176 10 0 BEAERO C[C@@H](Cc1ccsc1)[NH2+]Cc1cncnc1 ZINC000054768111 344251360 /nfs/dbraw/zinc/25/13/60/344251360.db2.gz FSWOSWBSMPJKNB-JTQLQIEISA-N 1 0 233.340 2.259 10 0 BEAERO Cc1ccc(C[C@]2(C[NH3+])CCCOC2)cc1 ZINC000062193150 178653194 /nfs/dbraw/zinc/65/31/94/178653194.db2.gz MNRWISLYFIHNQW-AWEZNQCLSA-N 1 0 219.328 2.293 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1nccn1C ZINC000132292472 344297504 /nfs/dbraw/zinc/29/75/04/344297504.db2.gz OPRGMZKLLJWBID-AXFHLTTASA-N 1 0 207.321 2.259 10 0 BEAERO CCC[C@@H](C)C[NH2+]C[C@@](C)(O)CSC ZINC000133270945 344316368 /nfs/dbraw/zinc/31/63/68/344316368.db2.gz NTMZVNWSUAMJDD-GHMZBOCLSA-N 1 0 219.394 2.126 10 0 BEAERO [NH3+]C[C@H]1C[C@H]1c1occc1Br ZINC000236212282 344319702 /nfs/dbraw/zinc/31/97/02/344319702.db2.gz KQAFPSZFZVHUBX-PHDIDXHHSA-N 1 0 216.078 2.104 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(F)n1 ZINC000092665303 344300658 /nfs/dbraw/zinc/30/06/58/344300658.db2.gz HKFQMQGERCFMGJ-LLVKDONJSA-N 1 0 237.322 2.141 10 0 BEAERO [NH3+]Cc1cc2ccc(Br)cc2cn1 ZINC000217010135 344432825 /nfs/dbraw/zinc/43/28/25/344432825.db2.gz CFBUDWWBRYBMBF-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO C1C[NH2+][C@@H](c2nc3c(s2)CCCC3)C1 ZINC000011631972 344395940 /nfs/dbraw/zinc/39/59/40/344395940.db2.gz QARRIGSDQGARQF-SECBINFHSA-N 1 0 208.330 2.446 10 0 BEAERO COC(=O)c1ccc([C@@H](C)[NH3+])c(Cl)c1 ZINC000142968370 344398803 /nfs/dbraw/zinc/39/88/03/344398803.db2.gz VMMKBSSYZZSQBJ-ZCFIWIBFSA-N 1 0 213.664 2.146 10 0 BEAERO CCN1CCCC[C@H]1[C@H]1CCCCC[NH2+]1 ZINC000100289069 344411263 /nfs/dbraw/zinc/41/12/63/344411263.db2.gz AHUOOIMPGMLGTN-OLZOCXBDSA-N 1 0 210.365 2.393 10 0 BEAERO Nc1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000084298972 344417991 /nfs/dbraw/zinc/41/79/91/344417991.db2.gz AZXWBNUHPWELOK-UHFFFAOYSA-N 1 0 215.300 2.217 10 0 BEAERO C[N@@H+]1CCC[C@H]1c1ccc2nnccc2c1 ZINC000616607958 344466507 /nfs/dbraw/zinc/46/65/07/344466507.db2.gz ZIDOHKTYSKUADL-ZDUSSCGKSA-N 1 0 213.284 2.397 10 0 BEAERO [NH3+]C1(c2csc(-c3ccco3)n2)CC1 ZINC000106886471 344477647 /nfs/dbraw/zinc/47/76/47/344477647.db2.gz XODVVNAPODEEDN-UHFFFAOYSA-N 1 0 206.270 2.351 10 0 BEAERO COc1ccc(Cl)cc1[C@H]([NH3+])CF ZINC000107145531 344479493 /nfs/dbraw/zinc/47/94/93/344479493.db2.gz XBEZGTITVSXFAJ-MRVPVSSYSA-N 1 0 203.644 2.318 10 0 BEAERO N#Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000381170719 344482417 /nfs/dbraw/zinc/48/24/17/344482417.db2.gz KYOIGUGUFPEPAA-GFCCVEGCSA-N 1 0 243.310 2.029 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000227556744 344507918 /nfs/dbraw/zinc/50/79/18/344507918.db2.gz CWHWUULYUCFIPA-AXFHLTTASA-N 1 0 242.363 2.288 10 0 BEAERO CCCC[C@H](C)[C@@H](C)[NH2+]CCn1cncn1 ZINC000309995437 344492046 /nfs/dbraw/zinc/49/20/46/344492046.db2.gz CAMSSEZGLQZQLB-NWDGAFQWSA-N 1 0 224.352 2.083 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC000616613193 344515778 /nfs/dbraw/zinc/51/57/78/344515778.db2.gz PUFHGYZARKZONK-GFCCVEGCSA-N 1 0 218.300 2.064 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000381630050 344527132 /nfs/dbraw/zinc/52/71/32/344527132.db2.gz PBJFFUQGWFCVEW-CMPLNLGQSA-N 1 0 233.336 2.372 10 0 BEAERO CSC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000381653269 344530982 /nfs/dbraw/zinc/53/09/82/344530982.db2.gz SFVGMBWCUWBDBQ-AVGNSLFASA-N 1 0 243.416 2.365 10 0 BEAERO Cc1ccc(F)c(O[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000082939428 178678157 /nfs/dbraw/zinc/67/81/57/178678157.db2.gz XDDVMACWIOQVHU-VIFPVBQESA-N 1 0 237.196 2.403 10 0 BEAERO C[C@@](F)(C[NH3+])c1ccc(F)c(F)c1F ZINC000158246755 344574457 /nfs/dbraw/zinc/57/44/57/344574457.db2.gz PMQDCQJWCYABAC-SECBINFHSA-N 1 0 207.170 2.247 10 0 BEAERO C[C@H]1C[C@@](O)(c2ccc(Cl)s2)C[N@@H+]1C ZINC000127474588 344545460 /nfs/dbraw/zinc/54/54/60/344545460.db2.gz DBCWRBNEPSGTCV-XVKPBYJWSA-N 1 0 231.748 2.313 10 0 BEAERO [NH3+]C1CC(F)(c2cc(F)ccc2F)C1 ZINC000158160554 344556731 /nfs/dbraw/zinc/55/67/31/344556731.db2.gz RMLZGQULOQWBPJ-UHFFFAOYSA-N 1 0 201.191 2.251 10 0 BEAERO CC(C)(C)[C@](F)(C[NH3+])C1CCOCC1 ZINC000158367009 344611143 /nfs/dbraw/zinc/61/11/43/344611143.db2.gz RAQVYKIXIUPCNI-NSHDSACASA-N 1 0 203.301 2.126 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403389515 344654756 /nfs/dbraw/zinc/65/47/56/344654756.db2.gz QEEBWGUTAWEIMQ-NNYUYHANSA-N 1 0 211.349 2.172 10 0 BEAERO CCN(CCC[NH2+]C1CC1)C(=O)OC(C)(C)C ZINC000227618469 344643970 /nfs/dbraw/zinc/64/39/70/344643970.db2.gz OMPNAHDVDBRVMQ-UHFFFAOYSA-N 1 0 242.363 2.386 10 0 BEAERO Nc1cc[nH+]cc1Nc1ccc2c(c1)OCO2 ZINC000310438831 344742350 /nfs/dbraw/zinc/74/23/50/344742350.db2.gz PDNOZRMWYMCRBQ-UHFFFAOYSA-N 1 0 229.239 2.136 10 0 BEAERO Cc1ccc(N(CC[NH3+])C2CCCC2)nc1 ZINC000053706160 178702388 /nfs/dbraw/zinc/70/23/88/178702388.db2.gz CRJIIGKLDUCGPY-UHFFFAOYSA-N 1 0 219.332 2.098 10 0 BEAERO C[C@H]1C[C@@H](Nc2nsnc2Cl)CC[N@@H+]1C ZINC000158598467 344687760 /nfs/dbraw/zinc/68/77/60/344687760.db2.gz CECONFHYKQHXGL-BQBZGAKWSA-N 1 0 246.767 2.086 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@H](C)C2)c(F)c1 ZINC000049661801 178714305 /nfs/dbraw/zinc/71/43/05/178714305.db2.gz ZPIKIJGEYWNTBY-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO C[C@@H](C[NH3+])Nc1c(F)cccc1Cl ZINC000235103809 344788438 /nfs/dbraw/zinc/78/84/38/344788438.db2.gz VSZQCUYMBVGCIM-LURJTMIESA-N 1 0 202.660 2.238 10 0 BEAERO FC(F)(F)c1ccc(COC2C[NH2+]C2)cc1 ZINC000062809987 347082148 /nfs/dbraw/zinc/08/21/48/347082148.db2.gz VANBEBAVAABWGM-UHFFFAOYSA-N 1 0 231.217 2.194 10 0 BEAERO C[C@@H](CC(F)(F)F)NC1=[NH+]CCCS1 ZINC000235153284 344823476 /nfs/dbraw/zinc/82/34/76/344823476.db2.gz RBVAYQMUCAGNCA-LURJTMIESA-N 1 0 226.267 2.410 10 0 BEAERO C[C@@H]([NH3+])c1c[nH]c2ncc(Br)cc12 ZINC000235163513 344832758 /nfs/dbraw/zinc/83/27/58/344832758.db2.gz RJPFEDOZAKIBOJ-RXMQYKEDSA-N 1 0 240.104 2.345 10 0 BEAERO CC[C@](C)(O)C[NH+]1CCc2ccccc2CC1 ZINC000119423349 344848508 /nfs/dbraw/zinc/84/85/08/344848508.db2.gz VUWCKSWXJWTMLA-HNNXBMFYSA-N 1 0 233.355 2.248 10 0 BEAERO [NH3+]C[C@@H](F)Cc1cc(F)ccc1Cl ZINC000166305941 344851799 /nfs/dbraw/zinc/85/17/99/344851799.db2.gz HAKSQSKNGHXBGM-QMMMGPOBSA-N 1 0 205.635 2.318 10 0 BEAERO CSC1CCC([NH+]2CCC(=O)CC2)CC1 ZINC000235246043 344856782 /nfs/dbraw/zinc/85/67/82/344856782.db2.gz MOIXMUKPSPPMOJ-UHFFFAOYSA-N 1 0 227.373 2.326 10 0 BEAERO CC(C)=C[C@](C)(F)C[C@H]1COCC[NH2+]1 ZINC000166351598 344870797 /nfs/dbraw/zinc/87/07/97/344870797.db2.gz HXQIMFBUPNYITM-QWRGUYRKSA-N 1 0 201.285 2.059 10 0 BEAERO O=C(C[C@H]1CCCCCC[NH2+]1)C(F)(F)F ZINC000300940794 537872043 /nfs/dbraw/zinc/87/20/43/537872043.db2.gz DOTVFKUTDHJFTK-MRVPVSSYSA-N 1 0 223.238 2.430 10 0 BEAERO C[C@@H]1SCC[C@]12[NH2+]C(C)(C)CS2 ZINC000235412130 344908146 /nfs/dbraw/zinc/90/81/46/344908146.db2.gz NPAFOKYPBICJCG-IONNQARKSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1occc1Br ZINC000235496662 344926318 /nfs/dbraw/zinc/92/63/18/344926318.db2.gz AKUBIZOXDRFJLW-ACZMJKKPSA-N 1 0 230.105 2.493 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000044195789 344930398 /nfs/dbraw/zinc/93/03/98/344930398.db2.gz NZSSRNYURUYGPR-JTQLQIEISA-N 1 0 245.681 2.432 10 0 BEAERO C[C@H](CCCC(F)(F)F)[NH2+]CC1CC(O)C1 ZINC000166683744 344958534 /nfs/dbraw/zinc/95/85/34/344958534.db2.gz ZBIJMRNKNWSLRG-XNWIYYODSA-N 1 0 239.281 2.468 10 0 BEAERO CC[C@H]1CC[N@H+](C[C@@H]2CCCCC2=O)C1 ZINC000166651606 344950437 /nfs/dbraw/zinc/95/04/37/344950437.db2.gz FTYOUKMSHYOGDD-RYUDHWBXSA-N 1 0 209.333 2.478 10 0 BEAERO CC(C)(C)Oc1ccc([C@H]([NH3+])CCO)cc1 ZINC000044236209 344987277 /nfs/dbraw/zinc/98/72/77/344987277.db2.gz XBKAHVOOSBNRFZ-GFCCVEGCSA-N 1 0 223.316 2.246 10 0 BEAERO [NH3+][C@H](CCO)c1c(F)cc(Cl)cc1F ZINC000044235613 344987304 /nfs/dbraw/zinc/98/73/04/344987304.db2.gz MSXSLNRMZFSKNK-MRVPVSSYSA-N 1 0 221.634 2.000 10 0 BEAERO Cc1ccc([C@H]([NH3+])CCO)c(Br)c1 ZINC000044234466 344987924 /nfs/dbraw/zinc/98/79/24/344987924.db2.gz GTXGTLHJICYKRH-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO [NH3+][C@H](CCO)c1c(F)ccc(F)c1Cl ZINC000044233469 344988997 /nfs/dbraw/zinc/98/89/97/344988997.db2.gz AXYNUPIGLYEZCJ-SSDOTTSWSA-N 1 0 221.634 2.000 10 0 BEAERO C[C@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000238428002 345047341 /nfs/dbraw/zinc/04/73/41/345047341.db2.gz UYSVOTZBHSZKEP-QMMMGPOBSA-N 1 0 237.303 2.448 10 0 BEAERO Cc1ccc(OC[C@@H]2CCCCO2)c(CC[NH3+])c1 ZINC000071411478 178813403 /nfs/dbraw/zinc/81/34/03/178813403.db2.gz JDWJLODDZCBQQK-AWEZNQCLSA-N 1 0 249.354 2.444 10 0 BEAERO C([C@@H]1CCC2(CCCC2)C[NH2+]1)N1CCC1 ZINC000667594194 537884196 /nfs/dbraw/zinc/88/41/96/537884196.db2.gz CYEIKTSMAJLLKD-LBPRGKRZSA-N 1 0 208.349 2.005 10 0 BEAERO Clc1cc([C@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000238550531 345075862 /nfs/dbraw/zinc/07/58/62/345075862.db2.gz GVWHDLBTKFIRKX-LURJTMIESA-N 1 0 217.099 2.465 10 0 BEAERO [NH3+][C@H](c1coc(Br)c1)C1CC1 ZINC000238580811 345083766 /nfs/dbraw/zinc/08/37/66/345083766.db2.gz VCEWOBABOFSIBF-QMMMGPOBSA-N 1 0 216.078 2.452 10 0 BEAERO Cc1cc2c(cc1Br)OC[C@H]2[NH3+] ZINC000238489697 345062012 /nfs/dbraw/zinc/06/20/12/345062012.db2.gz NDZDEGOVDOMVPP-MRVPVSSYSA-N 1 0 228.089 2.150 10 0 BEAERO Clc1cccnc1C[C@@H]1CCC[NH2+]C1 ZINC000238506052 345063700 /nfs/dbraw/zinc/06/37/00/345063700.db2.gz WDMZIEWXIMYGNH-VIFPVBQESA-N 1 0 210.708 2.277 10 0 BEAERO [NH3+]Cc1ncc(Cl)cc1OC(F)(F)F ZINC000238603518 345089566 /nfs/dbraw/zinc/08/95/66/345089566.db2.gz UYZVVNGBEQTCRG-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO [NH3+]Cc1ncc(OC(F)(F)F)cc1Cl ZINC000238609394 345091810 /nfs/dbraw/zinc/09/18/10/345091810.db2.gz KUGDOEILSKESHZ-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC(C)(C)C)C1 ZINC000155659764 345095305 /nfs/dbraw/zinc/09/53/05/345095305.db2.gz DDRLQCLSRDGNOQ-NEPJUHHUSA-N 1 0 240.391 2.268 10 0 BEAERO Fc1ccc(Br)cc1C1C[NH2+]C1 ZINC000238619077 345095437 /nfs/dbraw/zinc/09/54/37/345095437.db2.gz VWNKCCXNTGPDFA-UHFFFAOYSA-N 1 0 230.080 2.275 10 0 BEAERO [NH3+]Cc1cc(Cl)cc(OC(F)(F)F)n1 ZINC000238656314 345102469 /nfs/dbraw/zinc/10/24/69/345102469.db2.gz QRFRLYQHHOKRSJ-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO [NH3+]Cc1ccc(OC(F)(F)F)c(Cl)n1 ZINC000238682401 345108619 /nfs/dbraw/zinc/10/86/19/345108619.db2.gz FGZBUNHVGMUNFT-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Cc1ccc(F)c([C@@H]2C[C@@H]([NH3+])CCN2C)c1 ZINC000675054075 537890772 /nfs/dbraw/zinc/89/07/72/537890772.db2.gz LPOZPQDTMCCVBX-GWCFXTLKSA-N 1 0 222.307 2.228 10 0 BEAERO CCc1nccn1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000156228560 345140917 /nfs/dbraw/zinc/14/09/17/345140917.db2.gz KTQVYXOWFCGNCV-CYBMUJFWSA-N 1 0 233.359 2.492 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)C(C)(C)C ZINC000132155372 345319773 /nfs/dbraw/zinc/31/97/73/345319773.db2.gz JFOMBCZZWMSEQT-WDEREUQCSA-N 1 0 249.420 2.224 10 0 BEAERO [NH3+][C@@H]1CCCCCC[C@@H]1OCC(F)F ZINC000130581352 345279911 /nfs/dbraw/zinc/27/99/11/345279911.db2.gz BKKYPVDGPBTVDG-BDAKNGLRSA-N 1 0 207.264 2.318 10 0 BEAERO CC[C@@H](C[NH2+]C1CCC1)NC(=O)OC(C)(C)C ZINC000227717025 345292306 /nfs/dbraw/zinc/29/23/06/345292306.db2.gz IJMXZRPFEUIWHI-JTQLQIEISA-N 1 0 242.363 2.432 10 0 BEAERO C=C(C)CO[C@@H]1C[NH2+]CC[C@@H]1c1ccoc1 ZINC000139954950 345313275 /nfs/dbraw/zinc/31/32/75/345313275.db2.gz PIAUAAWDLXYKAZ-CHWSQXEVSA-N 1 0 221.300 2.318 10 0 BEAERO CC(C)CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159566125 345442981 /nfs/dbraw/zinc/44/29/81/345442981.db2.gz HEGOUNQQHVIUEA-CYBMUJFWSA-N 1 0 226.364 2.071 10 0 BEAERO CCC[C@H](C)C[N@H+](CC(=O)OC)C(C)C ZINC000051323743 345401283 /nfs/dbraw/zinc/40/12/83/345401283.db2.gz KGHARWKIPRPQOJ-NSHDSACASA-N 1 0 215.337 2.306 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2cccc(F)c2)CC[C@@H]1O ZINC000159494604 345465871 /nfs/dbraw/zinc/46/58/71/345465871.db2.gz HGBZITKGXRUALW-OCCSQVGLSA-N 1 0 237.318 2.419 10 0 BEAERO [NH3+][C@H](c1ccoc1Br)C1CC1 ZINC000229299687 345484734 /nfs/dbraw/zinc/48/47/34/345484734.db2.gz BQYIYFCHLDGWQK-ZETCQYMHSA-N 1 0 216.078 2.452 10 0 BEAERO CC(C)[NH2+]CCCNc1ncccc1F ZINC000562829981 345510313 /nfs/dbraw/zinc/51/03/13/345510313.db2.gz LQRYMBJZWCCICZ-UHFFFAOYSA-N 1 0 211.284 2.021 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2CO)C[C@H]1C ZINC000378768477 345560474 /nfs/dbraw/zinc/56/04/74/345560474.db2.gz DSPQMTSHFUTEJU-XHJNMGKDSA-N 1 0 225.376 2.418 10 0 BEAERO O=C1CCC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000050911713 345626383 /nfs/dbraw/zinc/62/63/83/345626383.db2.gz LCHOAGRNNDPNRD-LBPRGKRZSA-N 1 0 201.269 2.124 10 0 BEAERO C[C@@H](c1cccs1)[N@@H+]1CCC[C@H]1CO ZINC000253605911 345692275 /nfs/dbraw/zinc/69/22/75/345692275.db2.gz FOSBXQVJASKAAC-UWVGGRQHSA-N 1 0 211.330 2.266 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000308876501 537908914 /nfs/dbraw/zinc/90/89/14/537908914.db2.gz DAYSBAJLIZBTDD-JHJVBQTASA-N 1 0 211.349 2.269 10 0 BEAERO Cc1ccc([C@H](O)C[NH+]2CCCC2)c(C)c1 ZINC000044115166 178912410 /nfs/dbraw/zinc/91/24/10/178912410.db2.gz YOLPYJXMHHOIFA-CQSZACIVSA-N 1 0 219.328 2.433 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000308876504 537909043 /nfs/dbraw/zinc/90/90/43/537909043.db2.gz DAYSBAJLIZBTDD-UPJWGTAASA-N 1 0 211.349 2.269 10 0 BEAERO CCOC(=O)/C=C/C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000250140318 537909825 /nfs/dbraw/zinc/90/98/25/537909825.db2.gz NQQKOMFBTXCISN-RQDOONKYSA-N 1 0 225.332 2.226 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCc2ccc(N)c(N)c2C1 ZINC000034116921 345817272 /nfs/dbraw/zinc/81/72/72/345817272.db2.gz KKVQFAPTILLXEU-SECBINFHSA-N 1 0 219.332 2.008 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)c(F)c1 ZINC000074001603 537912054 /nfs/dbraw/zinc/91/20/54/537912054.db2.gz KDJJDGQYCDVRRQ-JOYOIKCWSA-N 1 0 226.270 2.059 10 0 BEAERO COc1cc2c3c([nH]c2c(C)c1)CC[NH2+]C3 ZINC000034985415 345846172 /nfs/dbraw/zinc/84/61/72/345846172.db2.gz PATUUIXSBXGIHY-UHFFFAOYSA-N 1 0 216.284 2.131 10 0 BEAERO COc1ccc2c3c1[C@H](C[NH3+])CCC[C@H]3CO2 ZINC000035049940 345847171 /nfs/dbraw/zinc/84/71/71/345847171.db2.gz IYUCMLOTRIBKPG-UWVGGRQHSA-N 1 0 233.311 2.397 10 0 BEAERO O=C1Nc2ccccc2[C@H]1C[C@H]1CCCC[NH2+]1 ZINC000143420945 345865611 /nfs/dbraw/zinc/86/56/11/345865611.db2.gz UXKSDGGMZXSNQZ-ZYHUDNBSSA-N 1 0 230.311 2.255 10 0 BEAERO Cc1cc(Cl)ccc1C[NH2+]C1COC1 ZINC000235788789 345869881 /nfs/dbraw/zinc/86/98/81/345869881.db2.gz BBWDOVJUAAJPMZ-UHFFFAOYSA-N 1 0 211.692 2.137 10 0 BEAERO [NH3+]C1CN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000083634701 345919566 /nfs/dbraw/zinc/91/95/66/345919566.db2.gz TVQOPZPMHXSSJC-UHFFFAOYSA-N 1 0 231.126 2.136 10 0 BEAERO Cc1nc(C[C@@H](F)[C@H]2CCC[NH2+]2)cs1 ZINC000235930511 345965656 /nfs/dbraw/zinc/96/56/56/345965656.db2.gz NWUCMVURZJNOQZ-NXEZZACHSA-N 1 0 214.309 2.084 10 0 BEAERO CCCNc1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856772 345963383 /nfs/dbraw/zinc/96/33/83/345963383.db2.gz CREZBPKQBRYEHM-UHFFFAOYSA-N 1 0 211.696 2.446 10 0 BEAERO CNc1cc(NCC2CC2)nc(C2CC2)[nH+]1 ZINC000087908981 345939919 /nfs/dbraw/zinc/93/99/19/345939919.db2.gz PCJZSBCWZYNVDK-UHFFFAOYSA-N 1 0 218.304 2.218 10 0 BEAERO CCOc1cc(NCCC[NH3+])nc2ccccc21 ZINC000033948161 345946565 /nfs/dbraw/zinc/94/65/65/345946565.db2.gz ZVTGRVNYMPEODP-UHFFFAOYSA-N 1 0 245.326 2.394 10 0 BEAERO N#CC1=C(NNc2cccc[nH+]2)CCC1 ZINC000148988015 346074744 /nfs/dbraw/zinc/07/47/44/346074744.db2.gz BQAMJASERHDHPQ-OLULMYBYSA-N 1 0 200.245 2.173 10 0 BEAERO C[C@@H](C(=O)N1CC([NH2+]C2CCC2)C1)C(C)(C)C ZINC000675054596 537947391 /nfs/dbraw/zinc/94/73/91/537947391.db2.gz IDCXIPVBKAVASB-JTQLQIEISA-N 1 0 238.375 2.022 10 0 BEAERO c1cn(CC2CC[NH2+]CC2)c2ncccc12 ZINC000149986543 346166036 /nfs/dbraw/zinc/16/60/36/346166036.db2.gz CBXNLMJURIYBMR-UHFFFAOYSA-N 1 0 215.300 2.036 10 0 BEAERO c1cncc(N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000150194590 346168664 /nfs/dbraw/zinc/16/86/64/346168664.db2.gz SANMFGBINPBASH-UHFFFAOYSA-N 1 0 231.343 2.052 10 0 BEAERO Nc1c(C2CC2)[nH+]cn1Cc1ccccc1 ZINC000106519339 346198768 /nfs/dbraw/zinc/19/87/68/346198768.db2.gz NWTHXUVIPNKJSC-UHFFFAOYSA-N 1 0 213.284 2.391 10 0 BEAERO CC(C)(C)C(=O)C[NH2+]Cc1ccccc1 ZINC000034076677 346190161 /nfs/dbraw/zinc/19/01/61/346190161.db2.gz GFCIQYPTMDHVHU-UHFFFAOYSA-N 1 0 205.301 2.391 10 0 BEAERO [NH3+]Cc1ncoc1-c1ccoc1Br ZINC000236250090 346214242 /nfs/dbraw/zinc/21/42/42/346214242.db2.gz HHENSNZXBSMISD-UHFFFAOYSA-N 1 0 243.060 2.156 10 0 BEAERO Cc1cccc(C(=O)N(C)[C@H]2CCC[NH2+]C2)c1C ZINC000037541007 179005540 /nfs/dbraw/zinc/00/55/40/179005540.db2.gz WPHZYIYKBKAMEU-ZDUSSCGKSA-N 1 0 246.354 2.127 10 0 BEAERO Cc1cccc(C(=O)N(CC[NH3+])C2CCCC2)c1 ZINC000070943583 179006302 /nfs/dbraw/zinc/00/63/02/179006302.db2.gz VHNDBLSSSFQIJN-UHFFFAOYSA-N 1 0 246.354 2.339 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1ccc(F)cc1Br ZINC000236305726 346223271 /nfs/dbraw/zinc/22/32/71/346223271.db2.gz PROLMMOPEODFKB-VXNVDRBHSA-N 1 0 230.080 2.403 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1cc(F)ccc1Br ZINC000236305621 346223587 /nfs/dbraw/zinc/22/35/87/346223587.db2.gz KYTNKOSONZQXDC-VXNVDRBHSA-N 1 0 230.080 2.403 10 0 BEAERO [NH3+][C@@H](c1ccoc1Br)C1=CCCO1 ZINC000236317339 346224847 /nfs/dbraw/zinc/22/48/47/346224847.db2.gz GNLVKTSHYYZJLN-QMMMGPOBSA-N 1 0 244.088 2.346 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1ccc(F)cc1Cl ZINC000236328810 346226084 /nfs/dbraw/zinc/22/60/84/346226084.db2.gz JHKOGBALQCNGGV-UWVGGRQHSA-N 1 0 215.655 2.268 10 0 BEAERO [NH3+][C@H]1CC[C@H]1c1cnc(C(F)(F)F)s1 ZINC000236330933 346226572 /nfs/dbraw/zinc/22/65/72/346226572.db2.gz AIVAXDCAPLSPMN-UHNVWZDZSA-N 1 0 222.235 2.367 10 0 BEAERO Cc1cccc(C(=O)[C@H]2CCC[NH2+]C2)c1C ZINC000041230317 179026884 /nfs/dbraw/zinc/02/68/84/179026884.db2.gz PJOJAVJOZMFAHS-LBPRGKRZSA-N 1 0 217.312 2.486 10 0 BEAERO Cc1cccc(C)c1O[C@@H](C)C1=[NH+]CCN1 ZINC000027710505 179048152 /nfs/dbraw/zinc/04/81/52/179048152.db2.gz JWAAXMLRAVOKBQ-NSHDSACASA-N 1 0 218.300 2.072 10 0 BEAERO C[C@H]1C[NH2+]CC[C@@]1(O)c1ccc(Cl)s1 ZINC000229562294 346400145 /nfs/dbraw/zinc/40/01/45/346400145.db2.gz YIVDSVAUZOECRN-XVKPBYJWSA-N 1 0 231.748 2.219 10 0 BEAERO Cc1cccc(CN2CC[NH2+]C[C@H](C)C2)c1 ZINC000049662236 179078458 /nfs/dbraw/zinc/07/84/58/179078458.db2.gz RGPSZQVPGADQMK-ZDUSSCGKSA-N 1 0 218.344 2.036 10 0 BEAERO Cc1cccc(CN2CC[NH2+][C@H](C)CC2)c1 ZINC000049662242 179080175 /nfs/dbraw/zinc/08/01/75/179080175.db2.gz PXATUJQXWUZOQG-CYBMUJFWSA-N 1 0 218.344 2.179 10 0 BEAERO Cc1cccc(C[N@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000294718541 179075872 /nfs/dbraw/zinc/07/58/72/179075872.db2.gz CJKBQUBQJLILNA-JSGCOSHPSA-N 1 0 219.328 2.340 10 0 BEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)CCC(C)C)C1 ZINC000252649515 537979663 /nfs/dbraw/zinc/97/96/63/537979663.db2.gz XDETXDOIJWTREI-KGLIPLIRSA-N 1 0 242.407 2.121 10 0 BEAERO Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000048266313 179087174 /nfs/dbraw/zinc/08/71/74/179087174.db2.gz JZKZVONTOBMWNN-OCCSQVGLSA-N 1 0 246.354 2.142 10 0 BEAERO Cc1cccc(CNC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000048266314 179088326 /nfs/dbraw/zinc/08/83/26/179088326.db2.gz JZKZVONTOBMWNN-TZMCWYRMSA-N 1 0 246.354 2.142 10 0 BEAERO Cc1cccc(C[NH2+]CCc2c[nH]cn2)c1 ZINC000045946389 179091502 /nfs/dbraw/zinc/09/15/02/179091502.db2.gz KRVDKWQWMMMAQC-UHFFFAOYSA-N 1 0 215.300 2.050 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037164498 179097884 /nfs/dbraw/zinc/09/78/84/179097884.db2.gz WBCXLTOKDPYIMH-KGLIPLIRSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1cccc(C[NH2+]Cc2cccn2C)n1 ZINC000051573668 179095787 /nfs/dbraw/zinc/09/57/87/179095787.db2.gz OLRSJKGFOXEODO-UHFFFAOYSA-N 1 0 215.300 2.018 10 0 BEAERO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000123186042 179096480 /nfs/dbraw/zinc/09/64/80/179096480.db2.gz YODASVRVBOEVSM-RYUDHWBXSA-N 1 0 207.317 2.102 10 0 BEAERO c1ncn(Cc2ccccc2)c1[C@H]1CCC[NH2+]C1 ZINC000217355282 346483461 /nfs/dbraw/zinc/48/34/61/346483461.db2.gz CQXFFLYILHBUJN-AWEZNQCLSA-N 1 0 241.338 2.398 10 0 BEAERO COC[C@H]([NH3+])c1ccc(C)cc1Br ZINC000161664862 346496035 /nfs/dbraw/zinc/49/60/35/346496035.db2.gz NTAKVBKPNJHSFV-JTQLQIEISA-N 1 0 244.132 2.404 10 0 BEAERO Cc1cccc(C[C@@H]([NH3+])[C@@H]2CCCOC2)c1 ZINC000062237898 179104517 /nfs/dbraw/zinc/10/45/17/179104517.db2.gz LJKJEHQMKXPCDX-ZIAGYGMSSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1c(CCC[NH3+])cnn1Cc1cccc(C)c1 ZINC000071192884 179110047 /nfs/dbraw/zinc/11/00/47/179110047.db2.gz LAILWCUWHWVTRG-UHFFFAOYSA-N 1 0 243.354 2.440 10 0 BEAERO Cc1cccc(N(C)C2CC[NH2+]CC2)c1 ZINC000034475180 179116127 /nfs/dbraw/zinc/11/61/27/179116127.db2.gz NLHNOKADTKRMPL-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO [NH3+][C@@H]1CCO[C@H]1c1cc(Cl)ccc1F ZINC000163825446 346578610 /nfs/dbraw/zinc/57/86/10/346578610.db2.gz VHISIFVSYDZDKS-ZJUUUORDSA-N 1 0 215.655 2.268 10 0 BEAERO Cc1cccc(N2CC[NH2+][C@H](C)CC2)c1C ZINC000049661622 179121456 /nfs/dbraw/zinc/12/14/56/179121456.db2.gz ABIZOCOTHPHOJM-GFCCVEGCSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1cccc(N2CCC[NH2+]CCC2)c1 ZINC000049665483 179122769 /nfs/dbraw/zinc/12/27/69/179122769.db2.gz DVWADQGYYBXPMH-UHFFFAOYSA-N 1 0 204.317 2.185 10 0 BEAERO C[C@H]([NH3+])C[C@H](O)c1cccc(Br)c1 ZINC000164166334 346593954 /nfs/dbraw/zinc/59/39/54/346593954.db2.gz FBCYDXXZESUMPF-XVKPBYJWSA-N 1 0 244.132 2.220 10 0 BEAERO COC[C@@H]([NH3+])[C@H]1CCCc2sccc21 ZINC000164296418 346599056 /nfs/dbraw/zinc/59/90/56/346599056.db2.gz VCCAVKRUWYFPMA-WCBMZHEXSA-N 1 0 211.330 2.142 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1cc(F)ccc1Cl ZINC000164551529 346609003 /nfs/dbraw/zinc/60/90/03/346609003.db2.gz HVZMWBZKMXZXGM-ZCFIWIBFSA-N 1 0 215.655 2.399 10 0 BEAERO Cc1cccc(N)c1NC(=O)C[N@@H+](C)CC(C)C ZINC000037273365 179119663 /nfs/dbraw/zinc/11/96/63/179119663.db2.gz RNBYLFVYYSXDCJ-UHFFFAOYSA-N 1 0 249.358 2.104 10 0 BEAERO CNc1cccc(N[C@H](C)CSC)[nH+]1 ZINC000128308675 346673617 /nfs/dbraw/zinc/67/36/17/346673617.db2.gz ZEJMJIXPXPPCFW-MRVPVSSYSA-N 1 0 211.334 2.287 10 0 BEAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@@H]1O ZINC000585655987 346653082 /nfs/dbraw/zinc/65/30/82/346653082.db2.gz UDYDEKZXNWJGHP-DABQJJPHSA-N 1 0 219.328 2.135 10 0 BEAERO Cc1cccc(NC(=O)CSCCC[NH3+])c1 ZINC000058250035 179130040 /nfs/dbraw/zinc/13/00/40/179130040.db2.gz GSNDLFDAJHTHND-UHFFFAOYSA-N 1 0 238.356 2.016 10 0 BEAERO Cc1cccc(NC(=O)N(C)[C@@H](C)CC[NH3+])c1 ZINC000063086196 179130496 /nfs/dbraw/zinc/13/04/96/179130496.db2.gz VKKSIYNKMURRKX-NSHDSACASA-N 1 0 235.331 2.196 10 0 BEAERO COc1cc2c(CC[NH3+])c(C)[nH]c2c(C)c1 ZINC000005612633 346629266 /nfs/dbraw/zinc/62/92/66/346629266.db2.gz IQZBZHGVEPEDON-UHFFFAOYSA-N 1 0 218.300 2.295 10 0 BEAERO Cc1cccc(N[C@@H]2CC[N@@H+](C)C2)c1C ZINC000061984687 179155284 /nfs/dbraw/zinc/15/52/84/179155284.db2.gz FYRMKZVERIAOMZ-GFCCVEGCSA-N 1 0 204.317 2.419 10 0 BEAERO Cc1cccc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000104324428 179156382 /nfs/dbraw/zinc/15/63/82/179156382.db2.gz VLUWCEVFNHMHHP-UKRRQHHQSA-N 1 0 239.322 2.427 10 0 BEAERO Cc1cccc(OCC[N@@H+](C)[C@@H]2CCC[C@@H]2O)c1 ZINC000352691301 179165931 /nfs/dbraw/zinc/16/59/31/179165931.db2.gz GCBBQBFGGOAMAH-CABCVRRESA-N 1 0 249.354 2.219 10 0 BEAERO C[C@@H](CC(=O)N1C[C@H](C[NH3+])C[C@H]1C)C(C)(C)C ZINC000252697557 133650720 /nfs/dbraw/zinc/65/07/20/133650720.db2.gz ICWVLPADVNPTRK-TUAOUCFPSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CC[NH2+]2 ZINC000039310569 347189158 /nfs/dbraw/zinc/18/91/58/347189158.db2.gz AOCXXQNURLBPMB-ZLKJLUDKSA-N 1 0 201.313 2.498 10 0 BEAERO Cc1cccc([C@@H](O)[C@@H]2CCC[NH2+]C2)c1C ZINC000041233252 179188351 /nfs/dbraw/zinc/18/83/51/179188351.db2.gz ZDVSZGMPXCALCN-OCCSQVGLSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCOC[C@@H]2C)c1 ZINC000042966200 179188495 /nfs/dbraw/zinc/18/84/95/179188495.db2.gz OZANLYRGZRPEQU-GZBFAFLISA-N 1 0 248.370 2.104 10 0 BEAERO CCCC[C@H](CC)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000310001451 347217027 /nfs/dbraw/zinc/21/70/27/347217027.db2.gz FBFLHFRYJMGJIW-SRVKXCTJSA-N 1 0 226.364 2.212 10 0 BEAERO Cc1cccc([C@@H](O)[C@@H]2CCCC[NH2+]2)c1 ZINC000041213743 179189071 /nfs/dbraw/zinc/18/90/71/179189071.db2.gz RYJUTEUDPAZKGE-QWHCGFSZSA-N 1 0 205.301 2.171 10 0 BEAERO CCCC[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000310033676 347220477 /nfs/dbraw/zinc/22/04/77/347220477.db2.gz SBWYBHPSKOTWHQ-QWRGUYRKSA-N 1 0 226.364 2.212 10 0 BEAERO Cc1cccc([C@H]([C@@H](C)[NH3+])n2cccn2)c1 ZINC000042967724 179204219 /nfs/dbraw/zinc/20/42/19/179204219.db2.gz PCULPZGXXNYLSR-YPMHNXCESA-N 1 0 215.300 2.128 10 0 BEAERO Cc1cccc([C@H](O)[C@H]2CCC[NH2+]C2)c1C ZINC000041233254 179201849 /nfs/dbraw/zinc/20/18/49/179201849.db2.gz ZDVSZGMPXCALCN-GXTWGEPZSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1cccc2c1C1(CC[NH2+]CC1)OC2 ZINC000039105236 179213445 /nfs/dbraw/zinc/21/34/45/179213445.db2.gz QIYPJULNRGJKCO-UHFFFAOYSA-N 1 0 203.285 2.104 10 0 BEAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000020364056 259395190 /nfs/dbraw/zinc/39/51/90/259395190.db2.gz OGHIACMPDPRSPV-SRVKXCTJSA-N 1 0 228.380 2.314 10 0 BEAERO Cc1cccc2cc([C@@H](O)CC[NH3+])oc21 ZINC000096868010 179226546 /nfs/dbraw/zinc/22/65/46/179226546.db2.gz RFDSVATYWDZYCU-JTQLQIEISA-N 1 0 205.257 2.123 10 0 BEAERO Cn1cnc2c1[C@@H](C1(C)CCCC1)[NH2+]CC2 ZINC000725242785 537989817 /nfs/dbraw/zinc/98/98/17/537989817.db2.gz TZVPJNUPAUSKOA-LBPRGKRZSA-N 1 0 219.332 2.187 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@@H]1CCCO1 ZINC000020206749 347424878 /nfs/dbraw/zinc/42/48/78/347424878.db2.gz FIHOEBROSDWAIR-UMNHJUIQSA-N 1 0 209.289 2.498 10 0 BEAERO Cc1cccc2sc(CCC[NH3+])nc21 ZINC000031895221 179234041 /nfs/dbraw/zinc/23/40/41/179234041.db2.gz GOUVAMKMDZVIAZ-UHFFFAOYSA-N 1 0 206.314 2.496 10 0 BEAERO Cc1cccc2sc(C[C@H]3COCC[NH2+]3)nc21 ZINC000076167417 179234542 /nfs/dbraw/zinc/23/45/42/179234542.db2.gz LRDWFMKLWZBNGG-JTQLQIEISA-N 1 0 248.351 2.136 10 0 BEAERO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)C(N)=S ZINC000036677870 347435541 /nfs/dbraw/zinc/43/55/41/347435541.db2.gz QDAFHHFTMGQUFL-OPRDCNLKSA-N 1 0 214.378 2.172 10 0 BEAERO Cc1ccccc1-c1c[nH]c([C@@H](C)[NH3+])n1 ZINC000036872191 179237084 /nfs/dbraw/zinc/23/70/84/179237084.db2.gz WREZJOXWAGWJLS-SECBINFHSA-N 1 0 201.273 2.405 10 0 BEAERO Cc1ccccc1-c1nc([C@H](C)C[NH3+])no1 ZINC000054158756 179238243 /nfs/dbraw/zinc/23/82/43/179238243.db2.gz OBPNGMFKIRBHRX-SECBINFHSA-N 1 0 217.272 2.107 10 0 BEAERO c1cc2c(o1)[C@]1(C[C@H]3CCC[C@H]31)[NH2+]CC2 ZINC000725242873 537989650 /nfs/dbraw/zinc/98/96/50/537989650.db2.gz MGKWTTNDGRCWHT-NQBHXWOUSA-N 1 0 203.285 2.441 10 0 BEAERO Cc1ccccc1C(=O)C1([NH3+])CCCC1 ZINC000071508637 179246608 /nfs/dbraw/zinc/24/66/08/179246608.db2.gz BKNOWHQZKXITRL-UHFFFAOYSA-N 1 0 203.285 2.449 10 0 BEAERO Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000048265958 179279879 /nfs/dbraw/zinc/27/98/79/179279879.db2.gz KSYZTDQFWIHRIZ-JSGCOSHPSA-N 1 0 246.354 2.142 10 0 BEAERO [NH3+]Cc1c[nH]c2c1c(F)c(F)c(F)c2F ZINC000616569544 347767993 /nfs/dbraw/zinc/76/79/93/347767993.db2.gz MGWHTAAYCFLMOC-UHFFFAOYSA-N 1 0 218.153 2.183 10 0 BEAERO Cc1ccccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037164464 179284384 /nfs/dbraw/zinc/28/43/84/179284384.db2.gz NONDEQQDPZZXGJ-KBPBESRZSA-N 1 0 219.328 2.388 10 0 BEAERO COC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000343530418 133694477 /nfs/dbraw/zinc/69/44/77/133694477.db2.gz JRCXFSVPYLMVJL-GFQSEFKGSA-N 1 0 241.375 2.205 10 0 BEAERO CC(C)[C@H](C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308508330 347747265 /nfs/dbraw/zinc/74/72/65/347747265.db2.gz AXAFVHVUEWFPTC-GHMZBOCLSA-N 1 0 201.354 2.275 10 0 BEAERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037164462 179283165 /nfs/dbraw/zinc/28/31/65/179283165.db2.gz NONDEQQDPZZXGJ-KGLIPLIRSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1ccccc1Cc1nnc([C@@H](C)[NH3+])s1 ZINC000083333072 179293577 /nfs/dbraw/zinc/29/35/77/179293577.db2.gz HTMRYMMDHKROJM-SECBINFHSA-N 1 0 233.340 2.457 10 0 BEAERO Cc1ccccc1N(C)[C@H]1CCC[NH2+]C1 ZINC000049986714 179294278 /nfs/dbraw/zinc/29/42/78/179294278.db2.gz IAVAFOIDFLZIOZ-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccccc1N1CCC[NH2+]C[C@@H](C)C1 ZINC000049665568 179296075 /nfs/dbraw/zinc/29/60/75/179296075.db2.gz BYBFLDOMRXBQQI-GFCCVEGCSA-N 1 0 218.344 2.431 10 0 BEAERO Cc1ccccc1C[C@@H]1CSCC[NH2+]1 ZINC000071510901 179289479 /nfs/dbraw/zinc/28/94/79/179289479.db2.gz MNGPRXZHLWETTG-GFCCVEGCSA-N 1 0 207.342 2.243 10 0 BEAERO Cc1ccccc1C[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000062237088 179291809 /nfs/dbraw/zinc/29/18/09/179291809.db2.gz GVGPGXHCYAAJBL-KGLIPLIRSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1ccccc1C[C@]1(C[NH3+])CCCOC1 ZINC000062193161 179291835 /nfs/dbraw/zinc/29/18/35/179291835.db2.gz IMUVTVAISVVUBE-AWEZNQCLSA-N 1 0 219.328 2.293 10 0 BEAERO Cc1ccccc1C[C@H]([NH3+])c1cncnc1 ZINC000052887381 179292112 /nfs/dbraw/zinc/29/21/12/179292112.db2.gz MTSGTQFRFAJLCZ-ZDUSSCGKSA-N 1 0 213.284 2.028 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCOCC2)C[C@H](C)O1 ZINC000343626439 133699508 /nfs/dbraw/zinc/69/95/08/133699508.db2.gz XECGMWGUDBBUKN-CRWXNKLISA-N 1 0 241.375 2.349 10 0 BEAERO Cc1ccccc1NC(=O)[C@H](C)CCC[NH3+] ZINC000076610273 179302495 /nfs/dbraw/zinc/30/24/95/179302495.db2.gz XEWSUIGTWFRADM-LLVKDONJSA-N 1 0 220.316 2.309 10 0 BEAERO Cc1ccccc1NC(=O)CC[C@H](C)C[NH3+] ZINC000076610337 179296944 /nfs/dbraw/zinc/29/69/44/179296944.db2.gz RTTYWZABELXNMZ-JTQLQIEISA-N 1 0 220.316 2.309 10 0 BEAERO C[C@H]1OCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000196303506 347868241 /nfs/dbraw/zinc/86/82/41/347868241.db2.gz LFMHGYSOHGYRMA-ZDUSSCGKSA-N 1 0 247.338 2.414 10 0 BEAERO Cc1ccccc1OCCN(C)[C@@H]1CCC[NH2+]C1 ZINC000104358836 179311009 /nfs/dbraw/zinc/31/10/09/179311009.db2.gz JNZQLTMFYULKHV-CQSZACIVSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1ccccc1OCCSCC[NH3+] ZINC000020399312 179312040 /nfs/dbraw/zinc/31/20/40/179312040.db2.gz UEAREMNYGLVZDT-UHFFFAOYSA-N 1 0 211.330 2.066 10 0 BEAERO CC(C)[NH2+]CCCNc1nccc2occc21 ZINC000577370543 365936593 /nfs/dbraw/zinc/93/65/93/365936593.db2.gz UOJUKHUFBFIJLX-UHFFFAOYSA-N 1 0 233.315 2.050 10 0 BEAERO CC[C@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1[NH3+] ZINC000616570196 347914278 /nfs/dbraw/zinc/91/42/78/347914278.db2.gz MJTFPXSCWACKBI-AAEUAGOBSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1ccccc1[C@@H]([NH2+]C1CCCCC1)C(N)=O ZINC000037969722 179324398 /nfs/dbraw/zinc/32/43/98/179324398.db2.gz NLKVWGRGXNUCAN-CQSZACIVSA-N 1 0 246.354 2.444 10 0 BEAERO Cc1ccc([C@H](O)[C@@H]2CCC[NH2+]C2)s1 ZINC000036906297 347970896 /nfs/dbraw/zinc/97/08/96/347970896.db2.gz OHODNLGMFPXFDU-MWLCHTKSSA-N 1 0 211.330 2.090 10 0 BEAERO Cc1ccccc1[C@@H]([C@@H](C)N)[NH+]1CCCC1 ZINC000043033255 179328677 /nfs/dbraw/zinc/32/86/77/179328677.db2.gz WAFPXFYLPSMKFY-TZMCWYRMSA-N 1 0 218.344 2.479 10 0 BEAERO [NH3+]C[C@@H]1c2ccccc2NC(=O)c2ccccc21 ZINC000196686614 347985228 /nfs/dbraw/zinc/98/52/28/347985228.db2.gz UJYSNYBSRZPNDJ-ZDUSSCGKSA-N 1 0 238.290 2.343 10 0 BEAERO C(C[N@@H+]1C[C@@H]2CCCCC[C@H]21)C1OCCO1 ZINC000368437832 187384719 /nfs/dbraw/zinc/38/47/19/187384719.db2.gz XCHBIBZUOKFMJT-NWDGAFQWSA-N 1 0 225.332 2.014 10 0 BEAERO Cc1ccccc1[C@@H]1Cc2c(cnn2C)[C@H]([NH3+])C1 ZINC000072415866 179331190 /nfs/dbraw/zinc/33/11/90/179331190.db2.gz SJZRKNKVKYHUAE-SMDDNHRTSA-N 1 0 241.338 2.458 10 0 BEAERO CCN(C)c1cc(Br)ccc1C[NH3+] ZINC000037079101 348016928 /nfs/dbraw/zinc/01/69/28/348016928.db2.gz XZRCUWZXESQXOP-UHFFFAOYSA-N 1 0 243.148 2.364 10 0 BEAERO c1ccc(C[NH2+][C@@H]2CCN3CCC[C@H]23)cc1 ZINC000037168596 348024921 /nfs/dbraw/zinc/02/49/21/348024921.db2.gz SCTRVPQBVADAOD-ZIAGYGMSSA-N 1 0 216.328 2.013 10 0 BEAERO C[C@H]1C[C@H](CN2CCCCC2)[NH2+][C@@H](C)C1 ZINC000669381789 537996220 /nfs/dbraw/zinc/99/62/20/537996220.db2.gz VLCSIZYULOYTOY-FRRDWIJNSA-N 1 0 210.365 2.249 10 0 BEAERO Cc1ncn([C@@H](C[NH3+])c2ccccc2C)c1C ZINC000051925684 179341562 /nfs/dbraw/zinc/34/15/62/179341562.db2.gz FHAQKFKKDRZWKV-AWEZNQCLSA-N 1 0 229.327 2.356 10 0 BEAERO Cc1ccccc1[C@H](CN)[N@@H+](C)C(C)C ZINC000022166293 179342745 /nfs/dbraw/zinc/34/27/45/179342745.db2.gz JGHCWMDVXYPIAR-ZDUSSCGKSA-N 1 0 206.333 2.335 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CCN1CCOC[C@@H]1C ZINC000054017700 179344206 /nfs/dbraw/zinc/34/42/06/179344206.db2.gz QIDMIUAMTFDRGS-DZGCQCFKSA-N 1 0 248.370 2.106 10 0 BEAERO CC1CCN(C[C@@H]2C[C@H](C)C[C@@H](C)[NH2+]2)CC1 ZINC000669381535 537997362 /nfs/dbraw/zinc/99/73/62/537997362.db2.gz NKOBGUZTAKNETR-MCIONIFRSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1cccn(CC[NH2+][C@@H]2CCCC[C@H]2C)c1=O ZINC000062986565 179352161 /nfs/dbraw/zinc/35/21/61/179352161.db2.gz LGVGVTLUDGXRNG-TZMCWYRMSA-N 1 0 248.370 2.325 10 0 BEAERO Cc1cccn(CC[NH2+][C@@H]2CCCC[C@@H]2C)c1=O ZINC000062986563 179352480 /nfs/dbraw/zinc/35/24/80/179352480.db2.gz LGVGVTLUDGXRNG-GXTWGEPZSA-N 1 0 248.370 2.325 10 0 BEAERO Cc1cccn2c([C@H]([NH3+])C(C)C)cnc12 ZINC000031911688 179353782 /nfs/dbraw/zinc/35/37/82/179353782.db2.gz PMNOQLMMKRZMKN-LLVKDONJSA-N 1 0 203.289 2.299 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@@H](O)C(Cl)(Cl)Cl ZINC000669381949 537999606 /nfs/dbraw/zinc/99/96/06/537999606.db2.gz BMEHLAYRRXAJGD-PHDIDXHHSA-N 1 0 234.554 2.106 10 0 BEAERO COC1(C[NH2+][C@H]2CCCSC2)CCC1 ZINC000134825085 323177972 /nfs/dbraw/zinc/17/79/72/323177972.db2.gz NUEPXMHUBVCYRI-JTQLQIEISA-N 1 0 215.362 2.041 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000251321199 362862250 /nfs/dbraw/zinc/86/22/50/362862250.db2.gz VISPCPNFTUARIZ-OPRDCNLKSA-N 1 0 214.378 2.172 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@H](C)C[C@H]1C ZINC000251321197 362862344 /nfs/dbraw/zinc/86/23/44/362862344.db2.gz VISPCPNFTUARIZ-IVZWLZJFSA-N 1 0 214.378 2.172 10 0 BEAERO CC1CCN(c2nc(C[NH3+])ccc2Cl)CC1 ZINC000669382233 538000361 /nfs/dbraw/zinc/00/03/61/538000361.db2.gz JIWSJXZUODCFEB-UHFFFAOYSA-N 1 0 239.750 2.430 10 0 BEAERO Cc1cccnc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094449767 179375956 /nfs/dbraw/zinc/37/59/56/179375956.db2.gz UZRBUSNCIVFJHW-KBPBESRZSA-N 1 0 245.370 2.059 10 0 BEAERO C1CCC([N@@H+]2CCS[C@@H]3COCC[C@H]32)C1 ZINC000245628591 192119001 /nfs/dbraw/zinc/11/90/01/192119001.db2.gz PKRDGKSZBSPLPZ-VXGBXAGGSA-N 1 0 227.373 2.135 10 0 BEAERO Cc1cccnc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360571 179389200 /nfs/dbraw/zinc/38/92/00/179389200.db2.gz OHDPYWYXESZKTG-STQMWFEESA-N 1 0 231.343 2.111 10 0 BEAERO Cc1cccnc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360570 179389763 /nfs/dbraw/zinc/38/97/63/179389763.db2.gz OHDPYWYXESZKTG-QWHCGFSZSA-N 1 0 231.343 2.111 10 0 BEAERO Cc1ccn(-c2cccc(Cl)c2C[NH3+])n1 ZINC000052884782 179399352 /nfs/dbraw/zinc/39/93/52/179399352.db2.gz JQUDDJBUQJRJDK-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)[S@@](=O)[C@H]1CCC[C@@H](C)C1 ZINC000251679043 362897335 /nfs/dbraw/zinc/89/73/35/362897335.db2.gz GTAAITNSROVSJG-XXUISHGZSA-N 1 0 217.378 2.050 10 0 BEAERO Cc1ccn(-c2c(C[NH3+])cnc3ccccc32)n1 ZINC000052855862 179399564 /nfs/dbraw/zinc/39/95/64/179399564.db2.gz ASVCAJBTTYOIGW-UHFFFAOYSA-N 1 0 238.294 2.188 10 0 BEAERO Cc1ccn(-c2cc(C[NH2+]CC(C)C)ccn2)n1 ZINC000052885137 179399748 /nfs/dbraw/zinc/39/97/48/179399748.db2.gz ZZPCVRPFWNWTBL-UHFFFAOYSA-N 1 0 244.342 2.321 10 0 BEAERO Cc1ccn(-c2cccc(F)c2[C@@H](C)[NH3+])n1 ZINC000052884408 179399847 /nfs/dbraw/zinc/39/98/47/179399847.db2.gz YVJAOQVXQQBZRT-SECBINFHSA-N 1 0 219.263 2.340 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2ccc3cnccc3c2)C1 ZINC000616613617 349984236 /nfs/dbraw/zinc/98/42/36/349984236.db2.gz NDGATPROXSSAMU-HNNXBMFYSA-N 1 0 242.322 2.016 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)C ZINC000070266087 323184445 /nfs/dbraw/zinc/18/44/45/323184445.db2.gz MFUQAZCMNIUSRB-LLVKDONJSA-N 1 0 228.380 2.125 10 0 BEAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000251578880 362888271 /nfs/dbraw/zinc/88/82/71/362888271.db2.gz AXZRQEOVCMXCDW-OPRDCNLKSA-N 1 0 214.378 2.172 10 0 BEAERO C[C@H]1CN(c2nccc3ccccc32)CC[C@H]1[NH3+] ZINC000251753430 362905833 /nfs/dbraw/zinc/90/58/33/362905833.db2.gz LKWJWZVEVOQPMU-SMDDNHRTSA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H]1CCS[C@]2(C[C@@H](C)O[C@@H](C)C2)[NH2+]1 ZINC000251781933 362918063 /nfs/dbraw/zinc/91/80/63/362918063.db2.gz WFCSHSXCBCJPII-ZNSHCXBVSA-N 1 0 215.362 2.385 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1ccc(F)c(Br)c1 ZINC000037381356 348394515 /nfs/dbraw/zinc/39/45/15/348394515.db2.gz YCPMAXAYNKVODH-HZGVNTEJSA-N 1 0 230.080 2.403 10 0 BEAERO CC(C)[C@@H]1CC[C@H](O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725246186 538004349 /nfs/dbraw/zinc/00/43/49/538004349.db2.gz RFLYRZHFFCKNJD-NDBYEHHHSA-N 1 0 211.349 2.029 10 0 BEAERO CCC[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000054719010 348507420 /nfs/dbraw/zinc/50/74/20/348507420.db2.gz BNWZJULXIQOKFK-NSHDSACASA-N 1 0 209.337 2.488 10 0 BEAERO [NH3+][C@@H]1C[C@@]12CNc1c2cccc1C(F)(F)F ZINC000725246907 538009351 /nfs/dbraw/zinc/00/93/51/538009351.db2.gz APCKXFZRSPXWKV-SCZZXKLOSA-N 1 0 228.217 2.100 10 0 BEAERO Cc1ccc(Cl)c2c1[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725247601 538013372 /nfs/dbraw/zinc/01/33/72/538013372.db2.gz RVHRZLXDSIDEQA-GZMMTYOYSA-N 1 0 208.692 2.043 10 0 BEAERO CCN(CC)c1nc(C[NH3+])ccc1Cl ZINC000669383839 538012794 /nfs/dbraw/zinc/01/27/94/538012794.db2.gz ZBHSJWRIYCMYGE-UHFFFAOYSA-N 1 0 213.712 2.040 10 0 BEAERO Cc1cc2c(c(Cl)c1)NC[C@]21C[C@@H]1[NH3+] ZINC000725247655 538013886 /nfs/dbraw/zinc/01/38/86/538013886.db2.gz UBMJZBUCFKWSTC-GXSJLCMTSA-N 1 0 208.692 2.043 10 0 BEAERO Cc1nc(N[C@@H](CC[NH3+])C(F)F)sc1C ZINC000383518002 348860390 /nfs/dbraw/zinc/86/03/90/348860390.db2.gz UNDHGUSLUUETHO-ZETCQYMHSA-N 1 0 235.303 2.154 10 0 BEAERO CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1[NH3+])CN2 ZINC000725247813 538014323 /nfs/dbraw/zinc/01/43/23/538014323.db2.gz ZMFWDDIVVICYAF-CHWSQXEVSA-N 1 0 202.301 2.204 10 0 BEAERO C[NH2+][C@H](C)C(=O)NCc1cccc2ccccc21 ZINC000054076980 348879985 /nfs/dbraw/zinc/87/99/85/348879985.db2.gz DEVBEVORWLPIGM-LLVKDONJSA-N 1 0 242.322 2.064 10 0 BEAERO C[C@@H]1CSCC[N@@H+]1[C@H]1CCCCCC1=O ZINC000251833346 362932715 /nfs/dbraw/zinc/93/27/15/362932715.db2.gz PTDABVQXBKVNPG-MNOVXSKESA-N 1 0 227.373 2.326 10 0 BEAERO CC(C)CC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306156 348979182 /nfs/dbraw/zinc/97/91/82/348979182.db2.gz BVCMVDIWKWQPHI-CHWSQXEVSA-N 1 0 240.391 2.317 10 0 BEAERO CCN(C)C[C@@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385104 538018997 /nfs/dbraw/zinc/01/89/97/538018997.db2.gz YCPMULDNYKNAGC-LBPRGKRZSA-N 1 0 210.365 2.251 10 0 BEAERO CC1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290539 348962129 /nfs/dbraw/zinc/96/21/29/348962129.db2.gz LYPDXDHALFBSQK-OTTFEQOBSA-N 1 0 238.375 2.071 10 0 BEAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054290213 348962182 /nfs/dbraw/zinc/96/21/82/348962182.db2.gz YNBFKYOQTPPTEG-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(F)cc1 ZINC000054290253 348962197 /nfs/dbraw/zinc/96/21/97/348962197.db2.gz UAFPYBUDBUVEOC-JTQLQIEISA-N 1 0 236.290 2.154 10 0 BEAERO CCC[C@@H](CC)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292666 348964151 /nfs/dbraw/zinc/96/41/51/348964151.db2.gz DGBFIKAMMRWFEK-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO CC(C)[N@H+](C)[C@@H]1CNc2ccccc2C1 ZINC000037761082 187419180 /nfs/dbraw/zinc/41/91/80/187419180.db2.gz OZARNEXWKSMYLT-LBPRGKRZSA-N 1 0 204.317 2.363 10 0 BEAERO Cc1cccc(CN(C(=O)C[C@@H](C)[NH3+])C2CC2)c1 ZINC000037807777 187424305 /nfs/dbraw/zinc/42/43/05/187424305.db2.gz CGQKTEAUQQYOCT-GFCCVEGCSA-N 1 0 246.354 2.223 10 0 BEAERO C/C=C\C(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616573362 349069596 /nfs/dbraw/zinc/06/95/96/349069596.db2.gz XVFZALUYMOBJHZ-BXETVTBUSA-N 1 0 236.359 2.073 10 0 BEAERO C[C@@H]([NH3+])c1cccc(CNC(=O)C(C)(C)C)c1 ZINC000616574190 349076521 /nfs/dbraw/zinc/07/65/21/349076521.db2.gz XZOIOJUUBCHSPY-SNVBAGLBSA-N 1 0 234.343 2.369 10 0 BEAERO CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000082917913 349082799 /nfs/dbraw/zinc/08/27/99/349082799.db2.gz DNQXICUIHJSVPX-JSGCOSHPSA-N 1 0 219.328 2.282 10 0 BEAERO Cc1ccc(C[NH3+])c(OC(F)(F)F)c1 ZINC000616575483 349096044 /nfs/dbraw/zinc/09/60/44/349096044.db2.gz CVPLIUHUYRHTCP-UHFFFAOYSA-N 1 0 205.179 2.352 10 0 BEAERO C/C=C\C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000616572611 349061778 /nfs/dbraw/zinc/06/17/78/349061778.db2.gz SVKOWMINNYHJHH-SRMRHOMVSA-N 1 0 230.311 2.042 10 0 BEAERO C[C@@H]([NH3+])c1cccc(CNC(=O)CC2CC2)c1 ZINC000616572657 349062038 /nfs/dbraw/zinc/06/20/38/349062038.db2.gz NKXNFIAPBZSPOS-SNVBAGLBSA-N 1 0 232.327 2.123 10 0 BEAERO [NH3+]C[C@H](CCC(F)(F)F)C(F)(F)F ZINC000616572046 349065090 /nfs/dbraw/zinc/06/50/90/349065090.db2.gz JEVZGXNCPYWCTH-BYPYZUCNSA-N 1 0 209.133 2.466 10 0 BEAERO Cc1csc(C2([NH2+][C@H]3CCOC3)CCC2)n1 ZINC000272002737 179768312 /nfs/dbraw/zinc/76/83/12/179768312.db2.gz UJUNBAWUHAHUHN-JTQLQIEISA-N 1 0 238.356 2.209 10 0 BEAERO [NH3+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000202670295 350002444 /nfs/dbraw/zinc/00/24/44/350002444.db2.gz QVRSFXPZNGMKBX-UHFFFAOYSA-N 1 0 211.133 2.442 10 0 BEAERO Cc1cc(C(F)F)nc([C@H]([NH3+])C(C)C)n1 ZINC000616578843 349127524 /nfs/dbraw/zinc/12/75/24/349127524.db2.gz QRZYDOGPLJHQPJ-MRVPVSSYSA-N 1 0 215.247 2.378 10 0 BEAERO Cc1csc(NC(=O)c2ccc(C[NH3+])cc2)n1 ZINC000019474242 179788098 /nfs/dbraw/zinc/78/80/98/179788098.db2.gz NMGNHDVEXQLGOW-UHFFFAOYSA-N 1 0 247.323 2.163 10 0 BEAERO Cc1csc(SC(C)(C)C[NH3+])n1 ZINC000082639222 179790365 /nfs/dbraw/zinc/79/03/65/179790365.db2.gz BLNDZWJOEJGZAF-UHFFFAOYSA-N 1 0 202.348 2.281 10 0 BEAERO [NH3+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000299805618 538030550 /nfs/dbraw/zinc/03/05/50/538030550.db2.gz XPYQFIOWYHKGOX-LBPRGKRZSA-N 1 0 205.301 2.239 10 0 BEAERO C[C@@H]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000251978909 349194099 /nfs/dbraw/zinc/19/40/99/349194099.db2.gz YOXHIUJIPIYHAR-JHJVBQTASA-N 1 0 238.375 2.071 10 0 BEAERO CCOc1cc(OC(F)(F)F)ccc1C[NH3+] ZINC000616580155 349250923 /nfs/dbraw/zinc/25/09/23/349250923.db2.gz OHBOMXVYIFZHPY-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO CCC(C)(C)[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616580604 349258188 /nfs/dbraw/zinc/25/81/88/349258188.db2.gz YXDQMSMFUBMXIS-NWDGAFQWSA-N 1 0 242.432 2.344 10 0 BEAERO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H]2CCCO)O1 ZINC000160833721 349323525 /nfs/dbraw/zinc/32/35/25/349323525.db2.gz PCYCPJVSBUBKPC-OLZOCXBDSA-N 1 0 241.375 2.181 10 0 BEAERO COc1cc2c(c(OC)c1)C[C@H]1CCC[NH2+][C@@H]1C2 ZINC000256404702 349394822 /nfs/dbraw/zinc/39/48/22/349394822.db2.gz ATJONZSHWLGKMG-QMTHXVAHSA-N 1 0 247.338 2.171 10 0 BEAERO C[NH2+][C@@H]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000309048827 349405491 /nfs/dbraw/zinc/40/54/91/349405491.db2.gz WSVVXECRHMYUHE-MGPQQGTHSA-N 1 0 219.328 2.498 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CC12CCOCC2)C1CC1 ZINC000336749146 538043176 /nfs/dbraw/zinc/04/31/76/538043176.db2.gz DZFRGUDHYNZNHU-CMPLNLGQSA-N 1 0 209.333 2.191 10 0 BEAERO CC(C)N1c2ccccc2NC[C@@H]1CC[NH3+] ZINC000616585842 349380968 /nfs/dbraw/zinc/38/09/68/349380968.db2.gz VFPYCFFEURACDU-NSHDSACASA-N 1 0 219.332 2.044 10 0 BEAERO CC(C)(C)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000616587174 349423249 /nfs/dbraw/zinc/42/32/49/349423249.db2.gz GMXQIEZOAPXETH-LLVKDONJSA-N 1 0 218.344 2.423 10 0 BEAERO C[C@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C)C(N)=S ZINC000051732015 350080640 /nfs/dbraw/zinc/08/06/40/350080640.db2.gz LCYBVIXSTKIRIV-OPRDCNLKSA-N 1 0 214.378 2.029 10 0 BEAERO [NH3+]C[C@@H](CC1(F)CC1)c1cnc(C(F)F)nc1 ZINC000217389238 350052854 /nfs/dbraw/zinc/05/28/54/350052854.db2.gz PXTPRAOCNZRIKQ-SSDOTTSWSA-N 1 0 245.248 2.349 10 0 BEAERO CN(C)C(=[NH2+])c1ccc(F)cc1Cl ZINC000062995210 350111793 /nfs/dbraw/zinc/11/17/93/350111793.db2.gz HHOUIMVNDBUCME-UHFFFAOYSA-N 1 0 200.644 2.366 10 0 BEAERO c1ccc([C@@H]2OC[C@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000005934291 350086649 /nfs/dbraw/zinc/08/66/49/350086649.db2.gz XKGUUISNOPCNKA-BFHYXJOUSA-N 1 0 233.311 2.243 10 0 BEAERO Cc1nc(N2CCCC2)sc1[C@H](C)[NH3+] ZINC000040543786 180000642 /nfs/dbraw/zinc/00/06/42/180000642.db2.gz POZUIFVZZSUSBQ-ZETCQYMHSA-N 1 0 211.334 2.071 10 0 BEAERO Cc1nc(N2CCCC2)sc1[C@@H](C)[NH3+] ZINC000040543784 180001097 /nfs/dbraw/zinc/00/10/97/180001097.db2.gz POZUIFVZZSUSBQ-SSDOTTSWSA-N 1 0 211.334 2.071 10 0 BEAERO Cc1nc(N2CCC[C@@H](C)[C@H]2C[NH3+])sc1C ZINC000227884049 180002552 /nfs/dbraw/zinc/00/25/52/180002552.db2.gz UVXFREZZZYLDOC-LDYMZIIASA-N 1 0 239.388 2.324 10 0 BEAERO Cc1nc(N2CC[C@H](C)C[C@@H]2C[NH3+])sc1C ZINC000235618568 180003917 /nfs/dbraw/zinc/00/39/17/180003917.db2.gz UORHBDITEQYPQN-GZMMTYOYSA-N 1 0 239.388 2.324 10 0 BEAERO Cc1nc(N[C@H]2CCC[NH2+][C@@H]2C)sc1C ZINC000129511933 180024977 /nfs/dbraw/zinc/02/49/77/180024977.db2.gz PUFMZELMVHMPIK-SCZZXKLOSA-N 1 0 225.361 2.312 10 0 BEAERO CNC(=[NH2+])c1cccc(C(F)(F)F)c1 ZINC000062994481 350112731 /nfs/dbraw/zinc/11/27/31/350112731.db2.gz OOTYACCWBZFNJH-UHFFFAOYSA-N 1 0 202.179 2.250 10 0 BEAERO [NH3+]CC1=CCOc2cc(Br)ccc21 ZINC000219483223 350128668 /nfs/dbraw/zinc/12/86/68/350128668.db2.gz FWRCKXULLQHEIR-UHFFFAOYSA-N 1 0 240.100 2.184 10 0 BEAERO Cc1nc([C@@H](C)NC[C@@H]2CC[N@H+](C)C2)cs1 ZINC000037484834 180038487 /nfs/dbraw/zinc/03/84/87/180038487.db2.gz PYBXFKUWBXCRPY-KOLCDFICSA-N 1 0 239.388 2.054 10 0 BEAERO C[C@H](c1ccccc1)[C@@H]([NH3+])c1ncccn1 ZINC000725255292 538051753 /nfs/dbraw/zinc/05/17/53/538051753.db2.gz YRACVUZZXYMIFW-ZYHUDNBSSA-N 1 0 213.284 2.280 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1 ZINC000132545242 191032848 /nfs/dbraw/zinc/03/28/48/191032848.db2.gz SXUYDTFAJPDURN-MLGOLLRUSA-N 1 0 239.384 2.242 10 0 BEAERO C[C@@H](CC[NH2+]Cc1ccccc1F)[S@@](C)=O ZINC000132594598 191033620 /nfs/dbraw/zinc/03/36/20/191033620.db2.gz LHKTYJKHGABGND-QFYYESIMSA-N 1 0 243.347 2.072 10 0 BEAERO C[C@@H](CC[NH2+]Cc1ccccc1F)[S@](C)=O ZINC000132594200 191033981 /nfs/dbraw/zinc/03/39/81/191033981.db2.gz LHKTYJKHGABGND-MGPLVRAMSA-N 1 0 243.347 2.072 10 0 BEAERO Cc1nc2c(s1)[C@H]([NH2+]CC[C@@H](C)O)CCC2 ZINC000119066071 180074671 /nfs/dbraw/zinc/07/46/71/180074671.db2.gz NMXCIJZGLIYZBZ-PSASIEDQSA-N 1 0 240.372 2.189 10 0 BEAERO Cc1ccsc1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000132579400 191034360 /nfs/dbraw/zinc/03/43/60/191034360.db2.gz XNNLMQNFMVRQRK-BMIGLBTASA-N 1 0 245.413 2.303 10 0 BEAERO C[C@@H](CC[NH2+]C1CCCCC1)[S@@](C)=O ZINC000132602033 191034499 /nfs/dbraw/zinc/03/44/99/191034499.db2.gz NDZIMPXSHXDJQR-HZMBPMFUSA-N 1 0 217.378 2.066 10 0 BEAERO C[C@@H](CC[NH2+]C1CCCCC1)[S@](C)=O ZINC000132601608 191034511 /nfs/dbraw/zinc/03/45/11/191034511.db2.gz NDZIMPXSHXDJQR-IINYFYTJSA-N 1 0 217.378 2.066 10 0 BEAERO Cc1ccccc1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000132552891 191034737 /nfs/dbraw/zinc/03/47/37/191034737.db2.gz VAUIIOWUCXVFGM-WBMJQRKESA-N 1 0 239.384 2.242 10 0 BEAERO Cc1nc2cc(C[NH3+])ccc2n1CC1CC1 ZINC000328579356 180078346 /nfs/dbraw/zinc/07/83/46/180078346.db2.gz CIVYSUKXKPWDRR-UHFFFAOYSA-N 1 0 215.300 2.213 10 0 BEAERO Cc1nc2cc(CCC[NH3+])ccc2s1 ZINC000071510154 180078615 /nfs/dbraw/zinc/07/86/15/180078615.db2.gz LXHJBLMSRNAJDU-UHFFFAOYSA-N 1 0 206.314 2.496 10 0 BEAERO Cc1nc2cc(C[C@@H](C)[NH3+])ccc2s1 ZINC000082594005 180079765 /nfs/dbraw/zinc/07/97/65/180079765.db2.gz KHUXJMXQBJVOME-SSDOTTSWSA-N 1 0 206.314 2.494 10 0 BEAERO Cc1nc2cc(NC(=O)C(C)(C)C[NH3+])ccc2o1 ZINC000123080801 180081552 /nfs/dbraw/zinc/08/15/52/180081552.db2.gz SSLBVJSISVVPEA-UHFFFAOYSA-N 1 0 247.298 2.060 10 0 BEAERO COc1ccc(COC[C@@H]2CCC[NH2+]2)cc1F ZINC000051816373 350135493 /nfs/dbraw/zinc/13/54/93/350135493.db2.gz HSQDBSSHUYMXCR-NSHDSACASA-N 1 0 239.290 2.103 10 0 BEAERO COc1ccc(COC[C@H]2CCC[NH2+]2)cc1F ZINC000051816374 350135662 /nfs/dbraw/zinc/13/56/62/350135662.db2.gz HSQDBSSHUYMXCR-LLVKDONJSA-N 1 0 239.290 2.103 10 0 BEAERO Cc1nc2ccc(Cl)cn2c1[C@H](C)[NH3+] ZINC000031918715 180090390 /nfs/dbraw/zinc/09/03/90/180090390.db2.gz JEHBZPQKGBDLEF-LURJTMIESA-N 1 0 209.680 2.316 10 0 BEAERO C[C@@H]([NH2+]CC1(C)CCC1)c1nccn1C ZINC000132301609 191030084 /nfs/dbraw/zinc/03/00/84/191030084.db2.gz ITCPSNZZOBBNEX-SNVBAGLBSA-N 1 0 207.321 2.261 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000133059940 191036143 /nfs/dbraw/zinc/03/61/43/191036143.db2.gz IJILVFAXLKUUSO-VXGBXAGGSA-N 1 0 211.349 2.317 10 0 BEAERO CC1(C)CCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000133130105 191037517 /nfs/dbraw/zinc/03/75/17/191037517.db2.gz SHTFFBZLVWLHIW-LLVKDONJSA-N 1 0 211.349 2.317 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000133129887 191038003 /nfs/dbraw/zinc/03/80/03/191038003.db2.gz SHTFFBZLVWLHIW-NSHDSACASA-N 1 0 211.349 2.317 10 0 BEAERO Cn1nccc1-c1oc(C(C)(C)C)cc1C[NH3+] ZINC000725257392 538063430 /nfs/dbraw/zinc/06/34/30/538063430.db2.gz NATFBBVOZPCCDZ-UHFFFAOYSA-N 1 0 233.315 2.436 10 0 BEAERO Cc1nc2sccn2c1C[NH2+]C(C)C ZINC000037186234 180117207 /nfs/dbraw/zinc/11/72/07/180117207.db2.gz PARMTELNWKIWHY-UHFFFAOYSA-N 1 0 209.318 2.202 10 0 BEAERO Cc1ncc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])s1 ZINC000235340784 180144311 /nfs/dbraw/zinc/14/43/11/180144311.db2.gz DEJQXLKRWOCOHQ-MWLCHTKSSA-N 1 0 239.388 2.011 10 0 BEAERO CC(C)CCN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000309587771 490358259 /nfs/dbraw/zinc/35/82/59/490358259.db2.gz SPBWOYGUFNXGPF-GFCCVEGCSA-N 1 0 226.364 2.023 10 0 BEAERO Cc1ncc([C@@H](C)[NH3+])c(-c2ccccc2)n1 ZINC000072416925 180172848 /nfs/dbraw/zinc/17/28/48/180172848.db2.gz MVAMQXDMZAODIQ-SECBINFHSA-N 1 0 213.284 2.472 10 0 BEAERO Cc1[nH+]ccc(N[C@@H](C)[C@H](C)O)c1Cl ZINC000307142587 180201975 /nfs/dbraw/zinc/20/19/75/180201975.db2.gz KFPHZGVSVRXMRS-XPUUQOCRSA-N 1 0 214.696 2.225 10 0 BEAERO Cc1nccc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000054936292 180204612 /nfs/dbraw/zinc/20/46/12/180204612.db2.gz MQQGMSTWIOLTIP-GFCCVEGCSA-N 1 0 236.363 2.173 10 0 BEAERO Cc1nccc(N[C@H](C)c2ccc(C[NH3+])cc2)n1 ZINC000054935440 180205759 /nfs/dbraw/zinc/20/57/59/180205759.db2.gz JTWVYSAUICJXIX-SNVBAGLBSA-N 1 0 242.326 2.417 10 0 BEAERO CC[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)C(C)C ZINC000392956020 350229368 /nfs/dbraw/zinc/22/93/68/350229368.db2.gz PSVKEOVCEMJDDP-LLVKDONJSA-N 1 0 208.305 2.311 10 0 BEAERO Cc1nccn1[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043254340 180272595 /nfs/dbraw/zinc/27/25/95/180272595.db2.gz NRPSDAJYHFQQMQ-MRVPVSSYSA-N 1 0 241.747 2.455 10 0 BEAERO COC1(OC)C[C@H](C)C[C@@H](C)[C@H]1CC[NH3+] ZINC000725261709 538086986 /nfs/dbraw/zinc/08/69/86/538086986.db2.gz DFIDKDFLQWADKD-GMTAPVOTSA-N 1 0 215.337 2.007 10 0 BEAERO Cc1nccn1CCOc1ccccc1[C@H](C)[NH3+] ZINC000049329347 180263346 /nfs/dbraw/zinc/26/33/46/180263346.db2.gz BYTLKIADFQGIDG-NSHDSACASA-N 1 0 245.326 2.290 10 0 BEAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000037678974 350285900 /nfs/dbraw/zinc/28/59/00/350285900.db2.gz ZOBULRKFRDQAGG-ZIAGYGMSSA-N 1 0 249.354 2.478 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCOC2)s1 ZINC000125268393 490425658 /nfs/dbraw/zinc/42/56/58/490425658.db2.gz KLIXCYGGAOYKLW-NXEZZACHSA-N 1 0 226.345 2.281 10 0 BEAERO Cc1nccn1[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915855 180270942 /nfs/dbraw/zinc/27/09/42/180270942.db2.gz MLJBYISACZGJDJ-TVQRCGJNSA-N 1 0 233.290 2.267 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1nc(C2CC2)ns1 ZINC000083670869 350285664 /nfs/dbraw/zinc/28/56/64/350285664.db2.gz HTTKXMLIOZCTNR-SECBINFHSA-N 1 0 240.376 2.201 10 0 BEAERO Cc1nccn1[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973154 180271555 /nfs/dbraw/zinc/27/15/55/180271555.db2.gz MQCRFLSXJNETHD-RNCFNFMXSA-N 1 0 233.290 2.267 10 0 BEAERO Cc1nccn1[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043046121 180271692 /nfs/dbraw/zinc/27/16/92/180271692.db2.gz UMBZKDATENRKFE-RNCFNFMXSA-N 1 0 233.290 2.267 10 0 BEAERO CCOc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037678972 350286364 /nfs/dbraw/zinc/28/63/64/350286364.db2.gz ZOBULRKFRDQAGG-KBPBESRZSA-N 1 0 249.354 2.478 10 0 BEAERO Cc1nccn1[C@H]1CCCCCC[C@H]1[NH3+] ZINC000023069057 180272056 /nfs/dbraw/zinc/27/20/56/180272056.db2.gz KORPKIZVVPVRJG-NEPJUHHUSA-N 1 0 207.321 2.414 10 0 BEAERO C[C@H]([NH3+])CS[C@@H]1CC(C)(C)OC1(C)C ZINC000167892972 350295564 /nfs/dbraw/zinc/29/55/64/350295564.db2.gz MBBSHLJBDCTSFU-DTWKUNHWSA-N 1 0 217.378 2.413 10 0 BEAERO Cc1ncn([C@@H](c2ccsc2)[C@H](C)[NH3+])c1C ZINC000051925925 180288888 /nfs/dbraw/zinc/28/88/88/180288888.db2.gz NFQIHXUGFQNRAE-QPUJVOFHSA-N 1 0 235.356 2.498 10 0 BEAERO Cc1ncn([C@H](c2cccs2)[C@H](C)[NH3+])c1C ZINC000051925922 180288923 /nfs/dbraw/zinc/28/89/23/180288923.db2.gz UZJNSJRPPWVIRK-UFBFGSQYSA-N 1 0 235.356 2.498 10 0 BEAERO Cc1ncn([C@@H]2CCCCC[C@H]2[NH3+])c1C ZINC000051926505 180289910 /nfs/dbraw/zinc/28/99/10/180289910.db2.gz VXNNSWQIHMITJY-VXGBXAGGSA-N 1 0 207.321 2.332 10 0 BEAERO Cc1ncn([C@H]([C@@H](C)[NH3+])C(C)(C)C)c1C ZINC000051925565 180289957 /nfs/dbraw/zinc/28/99/57/180289957.db2.gz DVYJMLBASGHKHK-LDYMZIIASA-N 1 0 209.337 2.434 10 0 BEAERO COC1(OC)CC[C@H](C(C)C)C[C@@H]1CC[NH3+] ZINC000725261836 538087984 /nfs/dbraw/zinc/08/79/84/538087984.db2.gz JTLMGUVWTRFRKD-RYUDHWBXSA-N 1 0 229.364 2.397 10 0 BEAERO C[C@@]([NH3+])(CO)c1cc(Cl)ccc1Cl ZINC000038124567 350306899 /nfs/dbraw/zinc/30/68/99/350306899.db2.gz OOULGQNIGGEKQD-SECBINFHSA-N 1 0 220.099 2.160 10 0 BEAERO [NH3+][C@H](Cc1ccsc1)c1cccnc1 ZINC000038127731 350307755 /nfs/dbraw/zinc/30/77/55/350307755.db2.gz QCAGFUGINABQPQ-LLVKDONJSA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@@H](Cc1ccsc1)c1ccncc1 ZINC000038127734 350308038 /nfs/dbraw/zinc/30/80/38/350308038.db2.gz GKZJRFDKISEPSX-NSHDSACASA-N 1 0 204.298 2.386 10 0 BEAERO C[C@@H](c1ccsc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000224467615 350322460 /nfs/dbraw/zinc/32/24/60/350322460.db2.gz QVWHGVOCLTUFER-VHSXEESVSA-N 1 0 211.330 2.123 10 0 BEAERO C[C@@H](C[NH3+])S[C@H]1CC(C)(C)OC1(C)C ZINC000167892741 350286970 /nfs/dbraw/zinc/28/69/70/350286970.db2.gz XRVXAWWVOHYASK-IUCAKERBSA-N 1 0 217.378 2.413 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000219114253 180284339 /nfs/dbraw/zinc/28/43/39/180284339.db2.gz KNOXSZSTUALYKZ-RYUDHWBXSA-N 1 0 235.331 2.005 10 0 BEAERO CC[C@@H](C)[C@@](C)([NH2+]Cc1ccccc1)C(N)=O ZINC000037941178 350293066 /nfs/dbraw/zinc/29/30/66/350293066.db2.gz CUJTWMHGMFJWCB-BXUZGUMPSA-N 1 0 234.343 2.066 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000324372603 350295142 /nfs/dbraw/zinc/29/51/42/350295142.db2.gz UJHIBZVRVSDKTL-UWVGGRQHSA-N 1 0 235.318 2.418 10 0 BEAERO F[C@@H]([C@H]1CCC[NH2+]1)C(F)(F)Br ZINC000225685631 350369779 /nfs/dbraw/zinc/36/97/79/350369779.db2.gz NDXYGLSYEZVOCJ-UHNVWZDZSA-N 1 0 232.043 2.064 10 0 BEAERO Cc1nn(-c2ccc(C[NH3+])cc2)c(C)c1C ZINC000044374108 180326777 /nfs/dbraw/zinc/32/67/77/180326777.db2.gz ZDXZCSMZJOOMSO-UHFFFAOYSA-N 1 0 215.300 2.256 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC000041054776 180327420 /nfs/dbraw/zinc/32/74/20/180327420.db2.gz LXBWXOXAERNTFU-QMMMGPOBSA-N 1 0 236.344 2.036 10 0 BEAERO Cc1nn(-c2ccccc2)c(OC(C)C)c1C[NH3+] ZINC000040176534 180330741 /nfs/dbraw/zinc/33/07/41/180330741.db2.gz PRYOLDXXIKCCLM-UHFFFAOYSA-N 1 0 245.326 2.427 10 0 BEAERO CC(C)[C@H](C)C(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000725264644 538091337 /nfs/dbraw/zinc/09/13/37/538091337.db2.gz ZDOQPQRCYBLMCL-SGMGOOAPSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1nn(C)c(C)c1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000075871759 180347126 /nfs/dbraw/zinc/34/71/26/180347126.db2.gz AVTCKHKCLXJKBQ-ZDUSSCGKSA-N 1 0 233.290 2.224 10 0 BEAERO Cc1nn(C)c(N(C)[C@@H](C)C(C)(C)C)c1C[NH3+] ZINC000042777272 180352519 /nfs/dbraw/zinc/35/25/19/180352519.db2.gz JBHWGBZHCJMARH-JTQLQIEISA-N 1 0 238.379 2.058 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1ccno1 ZINC000616591880 350420040 /nfs/dbraw/zinc/42/00/40/350420040.db2.gz AVZYSSJWPDJFMR-ZDUSSCGKSA-N 1 0 243.310 2.127 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2cccc3ncccc32)C1 ZINC000616592174 350439157 /nfs/dbraw/zinc/43/91/57/350439157.db2.gz BZFFTNGXYLYELM-GFCCVEGCSA-N 1 0 242.322 2.280 10 0 BEAERO C[C@@H](Cc1ccccc1)[NH+]1CCC(CO)CC1 ZINC000409423084 350475098 /nfs/dbraw/zinc/47/50/98/350475098.db2.gz LLOUSAPWJOGERG-ZDUSSCGKSA-N 1 0 233.355 2.322 10 0 BEAERO [NH3+]Cc1cc(CCc2ccc(Cl)cc2)ncn1 ZINC000409436646 350479853 /nfs/dbraw/zinc/47/98/53/350479853.db2.gz PYKXNJKQDUVDKK-UHFFFAOYSA-N 1 0 247.729 2.374 10 0 BEAERO FC1(F)[C@H]2C[NH2+]CC[C@]21c1ccsc1 ZINC000409436625 350479897 /nfs/dbraw/zinc/47/98/97/350479897.db2.gz OAEHUSCJZZBTSH-IUCAKERBSA-N 1 0 215.268 2.244 10 0 BEAERO [NH3+]CCCn1ccn2nc(C3CCCC3)cc12 ZINC000409437425 350481074 /nfs/dbraw/zinc/48/10/74/350481074.db2.gz GNMWZRRKXMLGHW-UHFFFAOYSA-N 1 0 232.331 2.142 10 0 BEAERO Cc1nn([C@@H](C[NH3+])c2ccsc2)c(C)c1C ZINC000043124234 180392241 /nfs/dbraw/zinc/39/22/41/180392241.db2.gz SXTXVTKHWAGOGZ-LBPRGKRZSA-N 1 0 235.356 2.418 10 0 BEAERO Cc1nn([C@@H]2CCCC[C@H]2[NH3+])c(C)c1C ZINC000040729367 180392255 /nfs/dbraw/zinc/39/22/55/180392255.db2.gz QZIIERGKPKJILM-VXGBXAGGSA-N 1 0 207.321 2.251 10 0 BEAERO Cc1nn([C@@H](C)C[NH2+]C2CC2)c(C)c1C ZINC000052591738 180392309 /nfs/dbraw/zinc/39/23/09/180392309.db2.gz XWZXBAVAFXLHPR-QMMMGPOBSA-N 1 0 207.321 2.121 10 0 BEAERO C[N@H+](CC1CCC1)C[C@H]1CCCC[C@@H]1O ZINC000061485162 350516827 /nfs/dbraw/zinc/51/68/27/350516827.db2.gz QXDACOKGTLXBDF-OLZOCXBDSA-N 1 0 211.349 2.269 10 0 BEAERO CC(C)CN1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000336650157 350575568 /nfs/dbraw/zinc/57/55/68/350575568.db2.gz DPEWTJHYRJYMND-HZSPNIEDSA-N 1 0 224.392 2.352 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C)C[C@@H](C2CC2)C[C@H]1[NH3+] ZINC000725266661 538096397 /nfs/dbraw/zinc/09/63/97/538096397.db2.gz SBOOSJQMAIPIBT-MISXGVKJSA-N 1 0 239.359 2.482 10 0 BEAERO COCC[NH2+]CC[C@H](CO)[C@H]1CCCC[C@@H]1C ZINC000725266793 538096688 /nfs/dbraw/zinc/09/66/88/538096688.db2.gz DUUKKNRHFHCMGK-MJBXVCDLSA-N 1 0 243.391 2.047 10 0 BEAERO CC(C)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC000616594481 350595370 /nfs/dbraw/zinc/59/53/70/350595370.db2.gz IVKQYVKOOJBFMU-GFCCVEGCSA-N 1 0 204.317 2.175 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2cccc3ccnnc32)CC1 ZINC000616594552 350596191 /nfs/dbraw/zinc/59/61/91/350596191.db2.gz QLONRKMLCLTABT-CYBMUJFWSA-N 1 0 243.310 2.023 10 0 BEAERO Cc1nnc2n1CCC[C@@H]2[NH2+]CCC(C)C ZINC000309424871 180449260 /nfs/dbraw/zinc/44/92/60/180449260.db2.gz BLZKCBSVZGDOGP-NSHDSACASA-N 1 0 222.336 2.057 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384878339 350610010 /nfs/dbraw/zinc/61/00/10/350610010.db2.gz JKFRKXIOPKTKES-XJFOESAGSA-N 1 0 242.407 2.118 10 0 BEAERO Cc1cc(C)cc(C(=O)C2CC[NH2+]CC2)c1 ZINC000041230303 187459042 /nfs/dbraw/zinc/45/90/42/187459042.db2.gz VWFXGTLCFKOAHX-UHFFFAOYSA-N 1 0 217.312 2.486 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ccncn1 ZINC000616596648 350634215 /nfs/dbraw/zinc/63/42/15/350634215.db2.gz GMWCPEDVLBKNHK-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cncnc1 ZINC000616598480 350672506 /nfs/dbraw/zinc/67/25/06/350672506.db2.gz BKXXBSGIUUFYDY-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CC1(C)Cc2cc(CCC[NH3+])ccc2O1 ZINC000044283448 187461617 /nfs/dbraw/zinc/46/16/17/187461617.db2.gz SMQOHESZMZWGBM-UHFFFAOYSA-N 1 0 205.301 2.291 10 0 BEAERO CC(=O)Nc1cccc([C@@H]2C[N@H+](C)CCCO2)c1 ZINC000616598668 350683527 /nfs/dbraw/zinc/68/35/27/350683527.db2.gz OYTKRZRBELBYOY-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO C=C(OCC)c1cc(OC)c(OC)cc1C[NH3+] ZINC000725267683 538098926 /nfs/dbraw/zinc/09/89/26/538098926.db2.gz XOAOSWDZCAQQAR-UHFFFAOYSA-N 1 0 237.299 2.170 10 0 BEAERO CC[C@H]1CN(C/C=C\Cl)C(C)(C)C[NH2+]1 ZINC000308407921 350698710 /nfs/dbraw/zinc/69/87/10/350698710.db2.gz BOLJDSMHAVPJSM-OMMCCPJFSA-N 1 0 216.756 2.201 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccc(N)cc1 ZINC000616599568 350751931 /nfs/dbraw/zinc/75/19/31/350751931.db2.gz RNRIBVOCOLNFPT-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)(C)N1CCCOC[C@@H]1C(F)F ZINC000616599815 350759878 /nfs/dbraw/zinc/75/98/78/350759878.db2.gz PWLHTBVXYWYIBS-MRVPVSSYSA-N 1 0 207.264 2.141 10 0 BEAERO COc1ccc([C@H]2COCCC[N@@H+]2C)cc1 ZINC000616599177 350728074 /nfs/dbraw/zinc/72/80/74/350728074.db2.gz ILVNVDJWHYCTKW-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616614055 350820427 /nfs/dbraw/zinc/82/04/27/350820427.db2.gz AUZQHYXRBWSPIZ-CQSZACIVSA-N 1 0 242.322 2.016 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc(CCO)c1 ZINC000616599870 350772562 /nfs/dbraw/zinc/77/25/62/350772562.db2.gz YFSMJIHOZGQTRV-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1ccnc(N)c1 ZINC000616600005 350778345 /nfs/dbraw/zinc/77/83/45/350778345.db2.gz WTNIHZPSZJRVFF-GFCCVEGCSA-N 1 0 249.358 2.056 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccnc(N)c2)CC1 ZINC000616600554 350780436 /nfs/dbraw/zinc/78/04/36/350780436.db2.gz DYEIPMKTMBAYKW-LBPRGKRZSA-N 1 0 233.359 2.472 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2ccc(CCO)cc2)C1 ZINC000616603110 350789068 /nfs/dbraw/zinc/78/90/68/350789068.db2.gz SKHXEFXIFMAFDV-HNNXBMFYSA-N 1 0 233.355 2.421 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2cccnn2)C1 ZINC000616602246 350791108 /nfs/dbraw/zinc/79/11/08/350791108.db2.gz JENYGJPIEFAWLT-NSHDSACASA-N 1 0 205.305 2.066 10 0 BEAERO OCCc1cccc([C@H]2CCCC[NH2+]C2)c1 ZINC000616604999 350794193 /nfs/dbraw/zinc/79/41/93/350794193.db2.gz JIGFDYLWRLXLKR-AWEZNQCLSA-N 1 0 219.328 2.079 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616606297 350797490 /nfs/dbraw/zinc/79/74/90/350797490.db2.gz AJEHBFZTRKGPKQ-CYBMUJFWSA-N 1 0 232.327 2.331 10 0 BEAERO Nc1n[nH]cc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616606694 350798369 /nfs/dbraw/zinc/79/83/69/350798369.db2.gz IDYDHCLFDNEQSO-CYBMUJFWSA-N 1 0 242.326 2.159 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccnc(N)c1 ZINC000616607480 350801212 /nfs/dbraw/zinc/80/12/12/350801212.db2.gz IUFHWCPBRLCRIK-NSHDSACASA-N 1 0 219.332 2.430 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1cncc2ccccc21 ZINC000616607769 350801828 /nfs/dbraw/zinc/80/18/28/350801828.db2.gz MFEMDWCPTLHDBE-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO C[N@@H+]1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616607820 350801992 /nfs/dbraw/zinc/80/19/92/350801992.db2.gz YTPSYNBCMVJARQ-CYBMUJFWSA-N 1 0 213.284 2.397 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000616608328 350804501 /nfs/dbraw/zinc/80/45/01/350804501.db2.gz SBFJZUVCPMQCRN-JTQLQIEISA-N 1 0 205.305 2.412 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616608638 350805606 /nfs/dbraw/zinc/80/56/06/350805606.db2.gz YENMGUKRYUXWPM-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO C[N@@H+]1CC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616610739 350806190 /nfs/dbraw/zinc/80/61/90/350806190.db2.gz WDXAACSOFJATOS-LBPRGKRZSA-N 1 0 213.284 2.049 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2cccc(N)n2)CC1 ZINC000616611371 350810700 /nfs/dbraw/zinc/81/07/00/350810700.db2.gz PLQRFSBTIQVONE-LLVKDONJSA-N 1 0 219.332 2.253 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cncnc2)C1 ZINC000616614173 350829627 /nfs/dbraw/zinc/82/96/27/350829627.db2.gz GLOZCHAZAPFXJR-SNVBAGLBSA-N 1 0 205.305 2.064 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2cncc3ccccc32)C1 ZINC000616614377 350832022 /nfs/dbraw/zinc/83/20/22/350832022.db2.gz LTXYKAYGJWSUJN-CYBMUJFWSA-N 1 0 242.322 2.016 10 0 BEAERO Nc1ccc2c(c1)C[C@H](O)[C@@H](C1CCCC1)N2 ZINC000725268107 538099577 /nfs/dbraw/zinc/09/95/77/538099577.db2.gz KAUBTIRPGZGXKL-UONOGXRCSA-N 1 0 232.327 2.157 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccncn1 ZINC000616614517 350834471 /nfs/dbraw/zinc/83/44/71/350834471.db2.gz TUPWKEHZNLCPBY-GFCCVEGCSA-N 1 0 205.305 2.412 10 0 BEAERO Nc1cn[nH+]c(NCc2ccccc2)c1Cl ZINC000306684968 350841863 /nfs/dbraw/zinc/84/18/63/350841863.db2.gz DMXDPCYEBINEAM-UHFFFAOYSA-N 1 0 234.690 2.324 10 0 BEAERO CC[C@@H]([NH2+]C[C@H](O)C(C)C)C(C)(C)C ZINC000336671742 350868998 /nfs/dbraw/zinc/86/89/98/350868998.db2.gz ZDJJCQRJYGYKHZ-WDEREUQCSA-N 1 0 201.354 2.418 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2cccc(CCO)c2)C1 ZINC000616617088 350861328 /nfs/dbraw/zinc/86/13/28/350861328.db2.gz ICCPJWYXQLKJSJ-OAHLLOKOSA-N 1 0 233.355 2.421 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cn1cccn1 ZINC000138653324 350827053 /nfs/dbraw/zinc/82/70/53/350827053.db2.gz NIMVMJKLJOBKSA-QJPTWQEYSA-N 1 0 207.321 2.050 10 0 BEAERO Brc1ncccc1[C@@H]1CCC[NH2+]1 ZINC000003732499 350869847 /nfs/dbraw/zinc/86/98/47/350869847.db2.gz SNCRTOHSYUOHKO-QMMMGPOBSA-N 1 0 227.105 2.269 10 0 BEAERO CNC(=[NH2+])Nc1cccc(Br)c1 ZINC000052069649 350901080 /nfs/dbraw/zinc/90/10/80/350901080.db2.gz KQNWVNJVICXMRP-UHFFFAOYSA-N 1 0 228.093 2.015 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](Nc2ccccn2)C1 ZINC000616618460 350912930 /nfs/dbraw/zinc/91/29/30/350912930.db2.gz VRIQDPHXNJIQTF-LBPRGKRZSA-N 1 0 219.332 2.366 10 0 BEAERO C[NH2+][C@H](C(C)C)[C@H]1SCCS[C@H]1C ZINC000252724069 350914715 /nfs/dbraw/zinc/91/47/15/350914715.db2.gz WHMVTXAVFYMEBD-AEJSXWLSSA-N 1 0 219.419 2.468 10 0 BEAERO CC[C@@H]1CC[N@H+](C[C@H]2CCCCC2=O)C1 ZINC000252846890 350916620 /nfs/dbraw/zinc/91/66/20/350916620.db2.gz FTYOUKMSHYOGDD-VXGBXAGGSA-N 1 0 209.333 2.478 10 0 BEAERO c1nnoc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000616618729 350924947 /nfs/dbraw/zinc/92/49/47/350924947.db2.gz USBYQCFXRSTGAF-CYBMUJFWSA-N 1 0 243.310 2.449 10 0 BEAERO c1cc2ccnnc2c([C@H]2CCC[NH2+]C2)c1 ZINC000616618894 350925783 /nfs/dbraw/zinc/92/57/83/350925783.db2.gz UULHWHSMEGGZNG-NSHDSACASA-N 1 0 213.284 2.097 10 0 BEAERO Cc1oc(CCOc2ccccc2)nc1CC[NH3+] ZINC000011585280 180532045 /nfs/dbraw/zinc/53/20/45/180532045.db2.gz XPEZKFSYQBSOLO-UHFFFAOYSA-N 1 0 246.310 2.106 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2cncnc2)CC1 ZINC000616619090 350926829 /nfs/dbraw/zinc/92/68/29/350926829.db2.gz BNYWVXVTQCVUOI-UHFFFAOYSA-N 1 0 219.332 2.455 10 0 BEAERO [NH3+]CCN1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616619748 350928375 /nfs/dbraw/zinc/92/83/75/350928375.db2.gz AUNUYZFWIJHQPQ-GFCCVEGCSA-N 1 0 238.762 2.478 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000616619940 350928533 /nfs/dbraw/zinc/92/85/33/350928533.db2.gz CRPQXCNMELMILK-LLVKDONJSA-N 1 0 219.332 2.455 10 0 BEAERO F[C@]1(Cc2coc(Br)c2)CC[NH2+]C1 ZINC000306742815 350932846 /nfs/dbraw/zinc/93/28/46/350932846.db2.gz GHFGEQGMJKSONS-VIFPVBQESA-N 1 0 248.095 2.286 10 0 BEAERO CCn1cc[nH+]c1N[C@H]1CS[C@@H](C)C1 ZINC000306746319 350934299 /nfs/dbraw/zinc/93/42/99/350934299.db2.gz JZUUNDXPRAHMHH-DTWKUNHWSA-N 1 0 211.334 2.209 10 0 BEAERO C[C@@H]1SCC[C@H]1[NH2+]CC1(F)CCC1 ZINC000306715377 350876964 /nfs/dbraw/zinc/87/69/64/350876964.db2.gz SHSCMTZHEGMVPN-DTWKUNHWSA-N 1 0 203.326 2.362 10 0 BEAERO c1cc2cc([C@@H]3CCC[NH2+]C3)ccc2nn1 ZINC000616617896 350877407 /nfs/dbraw/zinc/87/74/07/350877407.db2.gz MPBCNOLPLJQKIS-GFCCVEGCSA-N 1 0 213.284 2.097 10 0 BEAERO [NH3+]Cc1cccc(F)c1OC(F)(F)F ZINC000306718167 350878151 /nfs/dbraw/zinc/87/81/51/350878151.db2.gz IMRWRNOGFBFMQH-UHFFFAOYSA-N 1 0 209.142 2.183 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000616618188 350884173 /nfs/dbraw/zinc/88/41/73/350884173.db2.gz QWBXZSXDCJPRET-JTQLQIEISA-N 1 0 207.321 2.388 10 0 BEAERO C[NH2+][C@H]1COc2c1cc(Cl)cc2F ZINC000306721325 350888775 /nfs/dbraw/zinc/88/87/75/350888775.db2.gz DPMFSTXKESTUDQ-QMMMGPOBSA-N 1 0 201.628 2.132 10 0 BEAERO Cc1occc1C(=O)Nc1ccccc1C[NH3+] ZINC000070163147 180539359 /nfs/dbraw/zinc/53/93/59/180539359.db2.gz QJJRDRBVZSJVHZ-UHFFFAOYSA-N 1 0 230.267 2.299 10 0 BEAERO c1ncc(C[C@]2(C3CC3)CCC[NH2+]2)s1 ZINC000159728927 350986952 /nfs/dbraw/zinc/98/69/52/350986952.db2.gz ZEZBRPLMBMGQLN-NSHDSACASA-N 1 0 208.330 2.218 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@H]2CCSC2)sn1 ZINC000306769237 351001795 /nfs/dbraw/zinc/00/17/95/351001795.db2.gz ATTZLICAFWHDIB-CBAPKCEASA-N 1 0 214.359 2.204 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CCSC2)sn1 ZINC000306769245 351001938 /nfs/dbraw/zinc/00/19/38/351001938.db2.gz ATTZLICAFWHDIB-IONNQARKSA-N 1 0 214.359 2.204 10 0 BEAERO CC[C@H](NC(N)=[NH2+])c1ccccc1Cl ZINC000306767005 351002599 /nfs/dbraw/zinc/00/25/99/351002599.db2.gz BYXYPJQHXLVVDG-VIFPVBQESA-N 1 0 211.696 2.274 10 0 BEAERO CO[C@@H](C)[C@]1(C)[NH2+]CCc2sccc21 ZINC000306770573 351003442 /nfs/dbraw/zinc/00/34/42/351003442.db2.gz FXVRGCLXMRXQKR-KWQFWETISA-N 1 0 211.330 2.144 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCCSC1 ZINC000306777434 351018568 /nfs/dbraw/zinc/01/85/68/351018568.db2.gz NPRLYWMORIVXPX-GFCCVEGCSA-N 1 0 249.383 2.196 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(F)cc1F ZINC000306791706 351041133 /nfs/dbraw/zinc/04/11/33/351041133.db2.gz YRYOKUPSJGZCQF-RNFRBKRXSA-N 1 0 200.232 2.112 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000336700484 351044491 /nfs/dbraw/zinc/04/44/91/351044491.db2.gz AAHQORQDXPTFAM-ZDUSSCGKSA-N 1 0 243.391 2.286 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@H]2CCCS2)cs1 ZINC000306804127 351058794 /nfs/dbraw/zinc/05/87/94/351058794.db2.gz XAOOLJQINMBSKW-BDAKNGLRSA-N 1 0 214.359 2.347 10 0 BEAERO Cc1nc([C@@H]([NH3+])[C@H]2CCCS2)cs1 ZINC000306804130 351058898 /nfs/dbraw/zinc/05/88/98/351058898.db2.gz XAOOLJQINMBSKW-RKDXNWHRSA-N 1 0 214.359 2.347 10 0 BEAERO C[NH2+][C@@H](c1cncs1)c1cocc1C ZINC000306808743 351060543 /nfs/dbraw/zinc/06/05/43/351060543.db2.gz PYQXZXLHVYFOLS-SNVBAGLBSA-N 1 0 208.286 2.353 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2cccnn2)CC1 ZINC000616630076 351101512 /nfs/dbraw/zinc/10/15/12/351101512.db2.gz VKLQAJOBEIEWIS-NSHDSACASA-N 1 0 205.305 2.066 10 0 BEAERO Cc1ncc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)o1 ZINC000398089639 363001944 /nfs/dbraw/zinc/00/19/44/363001944.db2.gz WWIDHBJFSRBDTK-YPMHNXCESA-N 1 0 249.358 2.042 10 0 BEAERO CCN1CC[NH2+][C@@H](c2cccc3cccnc32)C1 ZINC000616632028 351109927 /nfs/dbraw/zinc/10/99/27/351109927.db2.gz KDOSDQRAVGLDAS-CQSZACIVSA-N 1 0 241.338 2.201 10 0 BEAERO CNc1ccc([C@@H]2C[N@@H+](C(C)(C)C)CCN2)cc1 ZINC000616632107 351110166 /nfs/dbraw/zinc/11/01/66/351110166.db2.gz HTDHWYHIUJGEMK-AWEZNQCLSA-N 1 0 247.386 2.473 10 0 BEAERO CC[N@@H+]1CCN[C@@H](c2ccc3ccccc3n2)C1 ZINC000616632759 351113475 /nfs/dbraw/zinc/11/34/75/351113475.db2.gz ZCVJAQPHJVRENZ-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1cncc2ccccc21 ZINC000616633558 351115431 /nfs/dbraw/zinc/11/54/31/351115431.db2.gz MFEMDWCPTLHDBE-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO c1c[nH]c([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000616634486 351117109 /nfs/dbraw/zinc/11/71/09/351117109.db2.gz RPNLQWCUFVHIAL-ZDUSSCGKSA-N 1 0 227.311 2.399 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]CCNC(=O)OC(C)(C)C ZINC000231674648 351072502 /nfs/dbraw/zinc/07/25/02/351072502.db2.gz MNODCYNUOYVJHY-QWRGUYRKSA-N 1 0 242.363 2.289 10 0 BEAERO [NH3+]Cc1coc(-c2coc(Br)c2)n1 ZINC000306810920 351078473 /nfs/dbraw/zinc/07/84/73/351078473.db2.gz VQJXFIVMUOAKKC-UHFFFAOYSA-N 1 0 243.060 2.156 10 0 BEAERO C[N@@H+]1CCCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000616622258 351086166 /nfs/dbraw/zinc/08/61/66/351086166.db2.gz XAOAFDXWJUTVCN-NSHDSACASA-N 1 0 242.363 2.386 10 0 BEAERO CC[N@@H+]1CCCCC[C@@H]1c1ccnc(N)c1 ZINC000616622868 351087652 /nfs/dbraw/zinc/08/76/52/351087652.db2.gz JIVNDIXHVLNBPF-GFCCVEGCSA-N 1 0 219.332 2.431 10 0 BEAERO C[N@@H+]1CCCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616624116 351091210 /nfs/dbraw/zinc/09/12/10/351091210.db2.gz XAOAFDXWJUTVCN-LLVKDONJSA-N 1 0 242.363 2.386 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2cccc(NC(C)=O)c2)C1 ZINC000616625251 351094015 /nfs/dbraw/zinc/09/40/15/351094015.db2.gz IISLJQPGLIXZQG-CYBMUJFWSA-N 1 0 232.327 2.454 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cccc(N)n2)C1 ZINC000616653896 351194950 /nfs/dbraw/zinc/19/49/50/351194950.db2.gz YHHXPSYTGFZEON-GFCCVEGCSA-N 1 0 249.358 2.226 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccccc1N ZINC000616644667 351162313 /nfs/dbraw/zinc/16/23/13/351162313.db2.gz CCESZXWYZOZVBD-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccccc2CO)C1 ZINC000616644810 351165051 /nfs/dbraw/zinc/16/50/51/351165051.db2.gz JFTXVHSIOKDODH-CQSZACIVSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cccc(N)n1 ZINC000616645184 351166911 /nfs/dbraw/zinc/16/69/11/351166911.db2.gz HPVBXQBPROQQLT-GFCCVEGCSA-N 1 0 249.358 2.226 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(N)cc2)C1 ZINC000616646647 351172274 /nfs/dbraw/zinc/17/22/74/351172274.db2.gz KQOHCDKFDVIRKM-ZDUSSCGKSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cnco2)C1 ZINC000616650070 351173318 /nfs/dbraw/zinc/17/33/18/351173318.db2.gz SCHWPYKIMYBYDU-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO c1cnc2cc([C@H]3COCCC[NH2+]3)ccc2c1 ZINC000616647444 351174156 /nfs/dbraw/zinc/17/41/56/351174156.db2.gz YRKFQMHECDOKHS-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC[N@@H+]1CCCO[C@H](c2ccccc2N)C1 ZINC000616649840 351180048 /nfs/dbraw/zinc/18/00/48/351180048.db2.gz LDWCMCVUKGKZQO-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC[N@@H+]1CCCOC[C@H]1c1ccc(CCO)cc1 ZINC000616649646 351180321 /nfs/dbraw/zinc/18/03/21/351180321.db2.gz PHFGQKJDPXPISS-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO CNc1cccc([C@H]2C[N@H+](C)CCCO2)c1 ZINC000616651652 351183463 /nfs/dbraw/zinc/18/34/63/351183463.db2.gz IBPCBFHEDNYVSX-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO CNc1ccccc1[C@@H]1C[N@H+](C)CCCO1 ZINC000616650580 351184476 /nfs/dbraw/zinc/18/44/76/351184476.db2.gz DCCJVMAUZCKHKY-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO C[N@@H+]1CCCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616650628 351184500 /nfs/dbraw/zinc/18/45/00/351184500.db2.gz FAJXENLMWZDWHJ-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CNc1ccc([C@@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616654050 351194511 /nfs/dbraw/zinc/19/45/11/351194511.db2.gz KOWCXJPFUVOXBL-CQSZACIVSA-N 1 0 248.370 2.290 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](OC(F)(F)F)C1 ZINC000616652000 351190024 /nfs/dbraw/zinc/19/00/24/351190024.db2.gz CPMSXUMKXLKXOW-MRVPVSSYSA-N 1 0 211.227 2.397 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2ccc(N)cc2)C1 ZINC000616652084 351190189 /nfs/dbraw/zinc/19/01/89/351190189.db2.gz CZFYKLPFTALVES-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccc2cccnc2c1 ZINC000616637214 351133750 /nfs/dbraw/zinc/13/37/50/351133750.db2.gz JOJWNMWDSKOJNN-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CNc1ccccc1[C@H]1C[NH2+]CCN1C(C)C ZINC000616637528 351134175 /nfs/dbraw/zinc/13/41/75/351134175.db2.gz OSBJPJZTSZPTQT-CQSZACIVSA-N 1 0 233.359 2.083 10 0 BEAERO CNc1ccccc1[C@@H]1CNCC[N@@H+]1C(C)(C)C ZINC000616637684 351135230 /nfs/dbraw/zinc/13/52/30/351135230.db2.gz PFXOZIOBFYYJHB-AWEZNQCLSA-N 1 0 247.386 2.473 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H]1c1ccccc1N ZINC000616638481 351138900 /nfs/dbraw/zinc/13/89/00/351138900.db2.gz VBGDVOOQYMTOHG-CYBMUJFWSA-N 1 0 220.316 2.051 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1cc2ccccc2cn1 ZINC000616638522 351139466 /nfs/dbraw/zinc/13/94/66/351139466.db2.gz WRIYDXCEHDZQHP-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2cccnn2)C1 ZINC000616654870 351191771 /nfs/dbraw/zinc/19/17/71/351191771.db2.gz QRJSKNGTPVMTEH-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO CCOC(=O)N1CC[C@@H](CC[NH3+])c2ccccc21 ZINC000616670955 351230874 /nfs/dbraw/zinc/23/08/74/351230874.db2.gz FIGHNCAZGISOMI-LLVKDONJSA-N 1 0 248.326 2.486 10 0 BEAERO Cc1ccc(N)c(N[C@@H](C)C(F)F)[nH+]1 ZINC000306860711 351236692 /nfs/dbraw/zinc/23/66/92/351236692.db2.gz FAWGJPYQBKTYGS-LURJTMIESA-N 1 0 201.220 2.038 10 0 BEAERO Nc1cc[nH+]c(NCc2ccsc2)c1 ZINC000063152749 351263687 /nfs/dbraw/zinc/26/36/87/351263687.db2.gz ISEHYURBPUQIAO-UHFFFAOYSA-N 1 0 205.286 2.337 10 0 BEAERO CN1CCO[C@@H](c2cccc3cccnc32)C1 ZINC000616676870 351241686 /nfs/dbraw/zinc/24/16/86/351241686.db2.gz NMWRIRGNGMQPGL-CYBMUJFWSA-N 1 0 228.295 2.238 10 0 BEAERO CCN1CCc2ccccc2[C@H]1c1cnno1 ZINC000616679772 351246013 /nfs/dbraw/zinc/24/60/13/351246013.db2.gz OQIRAAYIXUNERG-ZDUSSCGKSA-N 1 0 229.283 2.037 10 0 BEAERO COC(=O)[C@H]1c2ccccc2CCN1C(C)C ZINC000616678241 351246233 /nfs/dbraw/zinc/24/62/33/351246233.db2.gz DDOQAPXFYOUBEC-CYBMUJFWSA-N 1 0 233.311 2.167 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1ccnnc1 ZINC000616679000 351249077 /nfs/dbraw/zinc/24/90/77/351249077.db2.gz IEKCHJMWTVEXOK-OAHLLOKOSA-N 1 0 239.322 2.444 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1ccncn1 ZINC000616678744 351249180 /nfs/dbraw/zinc/24/91/80/351249180.db2.gz FTMXVTRVDBOGCJ-HNNXBMFYSA-N 1 0 239.322 2.444 10 0 BEAERO [NH3+]CCN1CCc2ccccc2[C@H]1C(F)(F)F ZINC000616678949 351249630 /nfs/dbraw/zinc/24/96/30/351249630.db2.gz PWHLBHVQSFKUNP-NSHDSACASA-N 1 0 244.260 2.107 10 0 BEAERO CCN1c2ccccc2NC[C@H]1c1c[nH]cn1 ZINC000616686148 351256242 /nfs/dbraw/zinc/25/62/42/351256242.db2.gz IWLRXRLZEWEFIU-ZDUSSCGKSA-N 1 0 228.299 2.403 10 0 BEAERO COc1cccc([C@H]2CCOCC[N@@H+]2C)c1 ZINC000616655635 351200372 /nfs/dbraw/zinc/20/03/72/351200372.db2.gz IXJDKMCHZVNGDI-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cnno2)C1 ZINC000616656376 351202339 /nfs/dbraw/zinc/20/23/39/351202339.db2.gz WLYHQXVHCYKDKL-SNVBAGLBSA-N 1 0 223.320 2.438 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccncn2)C1 ZINC000616656311 351202708 /nfs/dbraw/zinc/20/27/08/351202708.db2.gz VLXJNMWVRQMNSE-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](Nc2ccccn2)C1 ZINC000616656204 351202730 /nfs/dbraw/zinc/20/27/30/351202730.db2.gz UCEQJAKHHQHVQW-GFCCVEGCSA-N 1 0 219.332 2.368 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc(CO)cc2)C1 ZINC000616659044 351206489 /nfs/dbraw/zinc/20/64/89/351206489.db2.gz BHOKSDFGXGBSMP-HNNXBMFYSA-N 1 0 249.354 2.003 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccc(N)c2)C1 ZINC000616661632 351210971 /nfs/dbraw/zinc/21/09/71/351210971.db2.gz VNGPBAYETUIHNS-ZDUSSCGKSA-N 1 0 248.370 2.483 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H](c2ccccc2N)C1 ZINC000616661616 351211015 /nfs/dbraw/zinc/21/10/15/351211015.db2.gz VJPXYWHGJYYNCJ-GFCCVEGCSA-N 1 0 234.343 2.093 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2cccc(OC)c2)C1 ZINC000616661227 351213924 /nfs/dbraw/zinc/21/39/24/351213924.db2.gz NAYDIOZZGWPVMC-ZDUSSCGKSA-N 1 0 235.327 2.131 10 0 BEAERO Fc1cc2c(cc1Br)OCC[NH2+]C2 ZINC000168091115 351291008 /nfs/dbraw/zinc/29/10/08/351291008.db2.gz MIWQVQLPZSVMQY-UHFFFAOYSA-N 1 0 246.079 2.070 10 0 BEAERO C[C@H]([NH3+])/C=C/c1ccc(Br)o1 ZINC000231751528 351303632 /nfs/dbraw/zinc/30/36/32/351303632.db2.gz WURRMJYNQDKZQN-SZKDQXIBSA-N 1 0 216.078 2.403 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1Nc1ncccc1Cl ZINC000063177474 351269340 /nfs/dbraw/zinc/26/93/40/351269340.db2.gz QQKZPEKGXQVNMG-DTWKUNHWSA-N 1 0 211.696 2.027 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1Nc1ncccc1Cl ZINC000063177479 351269834 /nfs/dbraw/zinc/26/98/34/351269834.db2.gz QQKZPEKGXQVNMG-RKDXNWHRSA-N 1 0 211.696 2.027 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000063176967 351269883 /nfs/dbraw/zinc/26/98/83/351269883.db2.gz RPXQWUOLNTUSBY-IUCAKERBSA-N 1 0 211.696 2.027 10 0 BEAERO F[C@@H](c1ccns1)[C@H]1CCCC[NH2+]1 ZINC000306875932 351270465 /nfs/dbraw/zinc/27/04/65/351270465.db2.gz BBMHWTMAUCVARZ-VXNVDRBHSA-N 1 0 200.282 2.296 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1cccc(Br)c1F ZINC000306980328 351397334 /nfs/dbraw/zinc/39/73/34/351397334.db2.gz PLMUUYFXMUXFNC-SVRRBLITSA-N 1 0 230.080 2.403 10 0 BEAERO [NH3+]C/C=C/c1ccc(Br)o1 ZINC000069049782 351347107 /nfs/dbraw/zinc/34/71/07/351347107.db2.gz HMPGYPHWYBUJBF-OWOJBTEDSA-N 1 0 202.051 2.014 10 0 BEAERO C[C@@H]([NH2+]C1CCCCC1)C(=O)N1CCCCC1 ZINC000034936736 351349920 /nfs/dbraw/zinc/34/99/20/351349920.db2.gz XGLGINGPDHCZNH-GFCCVEGCSA-N 1 0 238.375 2.310 10 0 BEAERO O[C@H]1COCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000628467428 358463363 /nfs/dbraw/zinc/46/33/63/358463363.db2.gz VYBHAHIBEJVEKR-KGLIPLIRSA-N 1 0 241.375 2.086 10 0 BEAERO Cn1cc([C@H]([NH3+])c2ccc(F)cc2Cl)cn1 ZINC000034957646 351362740 /nfs/dbraw/zinc/36/27/40/351362740.db2.gz SUCAIEOZLWTZAC-NSHDSACASA-N 1 0 239.681 2.261 10 0 BEAERO Cn1cc([C@@H]([NH3+])c2cccc(Cl)c2)cn1 ZINC000034957677 351362746 /nfs/dbraw/zinc/36/27/46/351362746.db2.gz NBALQFDCQRRWCN-NSHDSACASA-N 1 0 221.691 2.122 10 0 BEAERO Cc1cc(C)cc([C@@H]([NH3+])c2cnn(C)c2)c1 ZINC000034957651 351363150 /nfs/dbraw/zinc/36/31/50/351363150.db2.gz KCYCGCUHAWAGCN-CYBMUJFWSA-N 1 0 215.300 2.085 10 0 BEAERO Cn1cc([C@@H]([NH3+])c2ccc(F)cc2Cl)cn1 ZINC000034957647 351363183 /nfs/dbraw/zinc/36/31/83/351363183.db2.gz SUCAIEOZLWTZAC-LLVKDONJSA-N 1 0 239.681 2.261 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1OCCc1ccccc1 ZINC000034958177 351363905 /nfs/dbraw/zinc/36/39/05/351363905.db2.gz JCGHSNAJPQNWHW-STQMWFEESA-N 1 0 205.301 2.126 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)c1ccsn1 ZINC000307021263 351429760 /nfs/dbraw/zinc/42/97/60/351429760.db2.gz DFPCFKYNSPQTTP-DTWKUNHWSA-N 1 0 224.329 2.091 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1c(F)cccc1Br ZINC000307038429 351436393 /nfs/dbraw/zinc/43/63/93/351436393.db2.gz HIQCLHHBGVFTLI-SVGQVSJJSA-N 1 0 230.080 2.403 10 0 BEAERO C/C(=C\c1cn2ccsc2n1)[C@H](C)[NH3+] ZINC000307054305 351454164 /nfs/dbraw/zinc/45/41/64/351454164.db2.gz QWRZDLZKOCOPFH-IVGLGHLBSA-N 1 0 207.302 2.146 10 0 BEAERO Clc1cnn(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000043499122 180600705 /nfs/dbraw/zinc/60/07/05/180600705.db2.gz CJMLCRQTOAHZSS-JTQLQIEISA-N 1 0 213.712 2.069 10 0 BEAERO C[C@@H]1CSC[C@]12[NH2+][C@H](C)CCS2 ZINC000307108422 351483290 /nfs/dbraw/zinc/48/32/90/351483290.db2.gz JFVIMAHFOPSVBU-IWSPIJDZSA-N 1 0 203.376 2.181 10 0 BEAERO COc1ccc(C)cc1C[C@@H]1CC[NH2+]C1 ZINC000057938262 187493393 /nfs/dbraw/zinc/49/33/93/187493393.db2.gz MWFYTFXRHIWZAG-NSHDSACASA-N 1 0 205.301 2.156 10 0 BEAERO CC(C)Nc1cc(C[NH3+])c(Br)cn1 ZINC000307190610 351591967 /nfs/dbraw/zinc/59/19/67/351591967.db2.gz XYTJBLHICXPJRJ-UHFFFAOYSA-N 1 0 244.136 2.123 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccsc1Cl ZINC000307200997 351602071 /nfs/dbraw/zinc/60/20/71/351602071.db2.gz CBVKSPJVDMRNPE-NTSWFWBYSA-N 1 0 232.736 2.323 10 0 BEAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC=CCC1 ZINC000637813614 351658040 /nfs/dbraw/zinc/65/80/40/351658040.db2.gz CYFKQCPPZSRFMD-PBWFPOADSA-N 1 0 248.370 2.132 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1cscc1Br ZINC000307230004 351676903 /nfs/dbraw/zinc/67/69/03/351676903.db2.gz AGKBSHTZOOJQIG-MHTLYPKNSA-N 1 0 218.119 2.325 10 0 BEAERO C[C@H](NC(N)=[NH2+])c1ccc(F)c(Cl)c1 ZINC000307234332 351703169 /nfs/dbraw/zinc/70/31/69/351703169.db2.gz DKOMMSNAAQQBAZ-YFKPBYRVSA-N 1 0 215.659 2.023 10 0 BEAERO CC(C)(C[NH3+])Cc1ncccc1Br ZINC000307241615 351747339 /nfs/dbraw/zinc/74/73/39/351747339.db2.gz RLDOKSCZFIWYNQ-UHFFFAOYSA-N 1 0 243.148 2.372 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CC=CCC1 ZINC000307235324 351710379 /nfs/dbraw/zinc/71/03/79/351710379.db2.gz SNFJTGSVWSODSJ-CYBMUJFWSA-N 1 0 229.327 2.409 10 0 BEAERO Cc1nc(C(=O)[C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000307253607 351781073 /nfs/dbraw/zinc/78/10/73/351781073.db2.gz VRPPOUFRHOOJOS-IUCAKERBSA-N 1 0 224.329 2.009 10 0 BEAERO Cc1nc(C(=O)C2CCC([NH3+])CC2)cs1 ZINC000307253884 351782137 /nfs/dbraw/zinc/78/21/37/351782137.db2.gz WIATZFXPFGUCPW-UHFFFAOYSA-N 1 0 224.329 2.152 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000637917303 351792395 /nfs/dbraw/zinc/79/23/95/351792395.db2.gz INEZSNGVEHOVAN-STQMWFEESA-N 1 0 248.370 2.479 10 0 BEAERO [NH3+][C@H](C1=COCCC1)C1CC(F)(F)C1 ZINC000307251326 351770562 /nfs/dbraw/zinc/77/05/62/351770562.db2.gz QIFMPTVXEYPXRB-SECBINFHSA-N 1 0 203.232 2.053 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000637904264 351774139 /nfs/dbraw/zinc/77/41/39/351774139.db2.gz IAIDEWCZVWDXDV-AAEUAGOBSA-N 1 0 234.343 2.252 10 0 BEAERO [NH3+]Cc1ccc(F)cc1-c1ccsn1 ZINC000307275661 351832327 /nfs/dbraw/zinc/83/23/27/351832327.db2.gz RWPDDRNRASDSPU-UHFFFAOYSA-N 1 0 208.261 2.408 10 0 BEAERO Cc1sc(C2CSC2)nc1[C@H](C)[NH3+] ZINC000404707957 351860189 /nfs/dbraw/zinc/86/01/89/351860189.db2.gz BSSPENQOXXSRFZ-YFKPBYRVSA-N 1 0 214.359 2.302 10 0 BEAERO C([NH2+][C@H]1COC[C@@H]1C1CC1)C1CCCC1 ZINC000725269188 538101475 /nfs/dbraw/zinc/10/14/75/538101475.db2.gz FINKIIZPLAKUDT-OLZOCXBDSA-N 1 0 209.333 2.191 10 0 BEAERO Cn1cc([C@@H](C[NH3+])Sc2ccccc2)cn1 ZINC000043236947 180664112 /nfs/dbraw/zinc/66/41/12/180664112.db2.gz JLMHNQCLKBZBRB-GFCCVEGCSA-N 1 0 233.340 2.212 10 0 BEAERO [NH3+][C@H](c1cnsc1)C1CCSCC1 ZINC000404731546 351994634 /nfs/dbraw/zinc/99/46/34/351994634.db2.gz RCPTWQIFIAURQS-VIFPVBQESA-N 1 0 214.359 2.286 10 0 BEAERO C1CC1NC1=[NH+][C@@H](C2CCCC2)CS1 ZINC000307330618 352032214 /nfs/dbraw/zinc/03/22/14/352032214.db2.gz NTTNRCALIIWVAC-SNVBAGLBSA-N 1 0 210.346 2.400 10 0 BEAERO COc1cc([C@@H]([NH3+])[C@H]2CC2(C)C)sn1 ZINC000307339618 352081630 /nfs/dbraw/zinc/08/16/30/352081630.db2.gz SAJFIJSIWSJYMQ-MUWHJKNJSA-N 1 0 212.318 2.198 10 0 BEAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1nnc2n1CCCCC2 ZINC000037140746 358468252 /nfs/dbraw/zinc/46/82/52/358468252.db2.gz NTNKWPWOJOATRH-GHMZBOCLSA-N 1 0 248.374 2.454 10 0 BEAERO CC(C)(C)[C@@H](O)C[C@H]([NH3+])c1ccccc1 ZINC000044138997 352178806 /nfs/dbraw/zinc/17/88/06/352178806.db2.gz SGEPPXAUEWPERV-RYUDHWBXSA-N 1 0 207.317 2.484 10 0 BEAERO CCN1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638409536 352216493 /nfs/dbraw/zinc/21/64/93/352216493.db2.gz PCIJDHOGDYIAHN-KBXIAJHMSA-N 1 0 236.403 2.497 10 0 BEAERO O[C@H]1COCC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000628466915 358469578 /nfs/dbraw/zinc/46/95/78/358469578.db2.gz KNXNFWSREOBWLU-KBPBESRZSA-N 1 0 241.375 2.086 10 0 BEAERO [NH3+][C@H]1COc2c1c(Cl)ccc2Cl ZINC000035654276 363145797 /nfs/dbraw/zinc/14/57/97/363145797.db2.gz ZUKFBYMLGJQSCE-LURJTMIESA-N 1 0 204.056 2.386 10 0 BEAERO CC(C)NC(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725270854 538102502 /nfs/dbraw/zinc/10/25/02/538102502.db2.gz FUIAUXYWDDOCAY-LLVKDONJSA-N 1 0 233.315 2.163 10 0 BEAERO [NH3+]CC1(Nc2ccccc2Cl)CSC1 ZINC000307356096 352324497 /nfs/dbraw/zinc/32/44/97/352324497.db2.gz XCLYMUXHCMUJOM-UHFFFAOYSA-N 1 0 228.748 2.196 10 0 BEAERO C1CC([NH2+][C@@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)C1 ZINC000725271444 538102928 /nfs/dbraw/zinc/10/29/28/538102928.db2.gz NDHFSGWMRXXHRX-RYDUCSDGSA-N 1 0 207.317 2.086 10 0 BEAERO COC(=O)[C@H](C)C[NH2+]CC1CCCCCC1 ZINC000389490340 352419299 /nfs/dbraw/zinc/41/92/99/352419299.db2.gz SEQSWYSSFZCQJC-LLVKDONJSA-N 1 0 227.348 2.356 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CC=CCC1 ZINC000638601475 352437071 /nfs/dbraw/zinc/43/70/71/352437071.db2.gz QJTJKWYHVGUFGW-OLZOCXBDSA-N 1 0 238.375 2.222 10 0 BEAERO CC[NH2+]Cc1coc(Br)c1 ZINC000307374826 352471081 /nfs/dbraw/zinc/47/10/81/352471081.db2.gz UIWDOSWCVDDHME-UHFFFAOYSA-N 1 0 204.067 2.152 10 0 BEAERO [NH3+][C@H](c1coc(Br)c1)c1ccc[nH]1 ZINC000307374490 352473699 /nfs/dbraw/zinc/47/36/99/352473699.db2.gz UDGIITCNRFHKMZ-SECBINFHSA-N 1 0 241.088 2.418 10 0 BEAERO CC(C)(C)[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271585 538103532 /nfs/dbraw/zinc/10/35/32/538103532.db2.gz QCDDXZVUSJVBFA-KQXIARHKSA-N 1 0 209.333 2.332 10 0 BEAERO C[C@@]1([NH3+])CC=C(c2ccc(C=O)nc2)CC1 ZINC000725272588 538104321 /nfs/dbraw/zinc/10/43/21/538104321.db2.gz QMMVSZZXOWCNBT-CYBMUJFWSA-N 1 0 216.284 2.179 10 0 BEAERO C[NH2+]C[C@]1(C)CC[C@](C)(C(F)(F)F)O1 ZINC000307387322 352548101 /nfs/dbraw/zinc/54/81/01/352548101.db2.gz CLKWOCCZWZNHAE-JGVFFNPUSA-N 1 0 211.227 2.096 10 0 BEAERO CCN(CC(C)C)[C@H]1C[NH2+][C@H](C(C)C)C1 ZINC000725272108 538103969 /nfs/dbraw/zinc/10/39/69/538103969.db2.gz HIECZKHUPFKADT-OLZOCXBDSA-N 1 0 212.381 2.351 10 0 BEAERO Cc1csc(CNC2=[NH+]CCS2)c1 ZINC000307384683 352511783 /nfs/dbraw/zinc/51/17/83/352511783.db2.gz JRFRQVQIRXEGGG-UHFFFAOYSA-N 1 0 212.343 2.249 10 0 BEAERO CC(C)C[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152535 187741860 /nfs/dbraw/zinc/74/18/60/187741860.db2.gz FOQIVPYOGQHPAA-UNXYVOJBSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H]1Oc2c(cc(Cl)cc2F)[C@@H]1[NH3+] ZINC000307414504 352588755 /nfs/dbraw/zinc/58/87/55/352588755.db2.gz JZSVQOBLPJCAGD-RNHFCUEFSA-N 1 0 201.628 2.260 10 0 BEAERO CN(Cc1ccccc1)C1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000307477202 352618337 /nfs/dbraw/zinc/61/83/37/352618337.db2.gz MCZDTTSOFNRWEH-ZIAGYGMSSA-N 1 0 243.354 2.389 10 0 BEAERO [NH3+][C@H]1CC[C@](O)(c2ccsc2Cl)C1 ZINC000307434723 352594613 /nfs/dbraw/zinc/59/46/13/352594613.db2.gz MPHOCWYBYHDAPW-IMTBSYHQSA-N 1 0 217.721 2.100 10 0 BEAERO [NH3+][C@@H]1CC[C@@](O)(c2ccsc2Cl)C1 ZINC000307434724 352595048 /nfs/dbraw/zinc/59/50/48/352595048.db2.gz MPHOCWYBYHDAPW-MUWHJKNJSA-N 1 0 217.721 2.100 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@]2(C)C[C@@H]2F)sn1 ZINC000307436305 352595939 /nfs/dbraw/zinc/59/59/39/352595939.db2.gz SWOMZABUAJWAIV-XHNCKOQMSA-N 1 0 200.282 2.199 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2cccc(C)n2)C1 ZINC000040503205 352598066 /nfs/dbraw/zinc/59/80/66/352598066.db2.gz ZHMBZRAUZUGJKN-LBPRGKRZSA-N 1 0 219.332 2.286 10 0 BEAERO C[C@]1(O)CCC[C@]1(C)[NH2+]Cc1ccccc1 ZINC000307455774 352608942 /nfs/dbraw/zinc/60/89/42/352608942.db2.gz DSRCGOPPZHHEDQ-KBPBESRZSA-N 1 0 219.328 2.470 10 0 BEAERO Cc1nc([C@]2(F)CC[C@@H]([NH3+])C2)cs1 ZINC000307464989 352615281 /nfs/dbraw/zinc/61/52/81/352615281.db2.gz CUJMYUYJECOQNW-APPZFPTMSA-N 1 0 200.282 2.128 10 0 BEAERO C[C@H](C[NH3+])Nc1cc(F)ccc1Br ZINC000232239043 352561972 /nfs/dbraw/zinc/56/19/72/352561972.db2.gz WUUADAQNPPWPMO-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO CCCN(CCC)[C@@H]1C[NH2+][C@H](C(C)C)C1 ZINC000725272551 538104577 /nfs/dbraw/zinc/10/45/77/538104577.db2.gz PKNLRHSGOHJKHP-STQMWFEESA-N 1 0 212.381 2.495 10 0 BEAERO COc1ccc(C[C@@H](C)[NH+](C)C)c(OC)c1 ZINC000006036826 187759148 /nfs/dbraw/zinc/75/91/48/187759148.db2.gz ZJXZIOOUNIATPP-SNVBAGLBSA-N 1 0 223.316 2.196 10 0 BEAERO CC1(C)[C@H](c2cnn(Cc3ccccc3)c2)[C@@H]1[NH3+] ZINC000307393082 352569058 /nfs/dbraw/zinc/56/90/58/352569058.db2.gz AIWYHEFGCNDGPS-KGLIPLIRSA-N 1 0 241.338 2.382 10 0 BEAERO Cc1c(N)cncc1C1=CC[C@](C)([NH3+])CC1 ZINC000725272837 538104642 /nfs/dbraw/zinc/10/46/42/538104642.db2.gz SLIIAGYWTREKHN-ZDUSSCGKSA-N 1 0 217.316 2.257 10 0 BEAERO C[C@@H]1C[C@@H]1[C@@]1(C)C[NH+]=C(N)N1Cc1ccccc1 ZINC000307405344 352580647 /nfs/dbraw/zinc/58/06/47/352580647.db2.gz FBJQIOIRTXSBDR-OSAQELSMSA-N 1 0 243.354 2.232 10 0 BEAERO COc1ccc(NC(=[NH2+])N2CCCC2)cc1 ZINC000039019292 187764748 /nfs/dbraw/zinc/76/47/48/187764748.db2.gz OZUKHCWBUBSGQR-UHFFFAOYSA-N 1 0 219.288 2.138 10 0 BEAERO C[C@@H]1SCC[C@@H]1NC(=[NH2+])C(C)(C)C ZINC000307536371 352640167 /nfs/dbraw/zinc/64/01/67/352640167.db2.gz SUEGCYCRIHCDTO-YUMQZZPRSA-N 1 0 200.351 2.493 10 0 BEAERO [NH3+][C@H](Cc1sccc1Cl)[C@H]1CCCO1 ZINC000307550332 352647203 /nfs/dbraw/zinc/64/72/03/352647203.db2.gz QYBSBISWPZVRBT-RKDXNWHRSA-N 1 0 231.748 2.450 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2cccc(N)c2C)CCO1 ZINC000036768906 187767641 /nfs/dbraw/zinc/76/76/41/187767641.db2.gz MQZYTLVAHGFCSR-CYBMUJFWSA-N 1 0 234.343 2.188 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)cn1 ZINC000037236020 187768842 /nfs/dbraw/zinc/76/88/42/187768842.db2.gz XNDPWEFJABJHPB-RWMBFGLXSA-N 1 0 230.311 2.144 10 0 BEAERO Cc1nccn1-c1cccc([C@H](C)[NH3+])c1 ZINC000082382099 187776733 /nfs/dbraw/zinc/77/67/33/187776733.db2.gz ZVOQEUONAARFIA-VIFPVBQESA-N 1 0 201.273 2.200 10 0 BEAERO COc1ccc([C@H](C[NH3+])C(F)(F)F)cc1 ZINC000082719060 187777475 /nfs/dbraw/zinc/77/74/75/187777475.db2.gz XOMKGWAFDKTGJS-VIFPVBQESA-N 1 0 219.206 2.300 10 0 BEAERO CC(C)(CC(N)=O)C[C@@H]([NH3+])c1ccc(F)cc1 ZINC000061825175 187784006 /nfs/dbraw/zinc/78/40/06/187784006.db2.gz LZEBPPHOEPGLBE-LLVKDONJSA-N 1 0 238.306 2.117 10 0 BEAERO [NH3+]Cc1ccc(F)c(OC(F)F)c1F ZINC000307514097 352632292 /nfs/dbraw/zinc/63/22/92/352632292.db2.gz RCNPRMAIPTUEFN-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO CC[C@@H]1CS[C@@]2(CSC[C@H]2C)[NH2+]1 ZINC000307525927 352635122 /nfs/dbraw/zinc/63/51/22/352635122.db2.gz HEYJKZZDZKZWKA-IWSPIJDZSA-N 1 0 203.376 2.181 10 0 BEAERO C[C@@H]([NH3+])[C@](C)(O)Cc1sccc1Cl ZINC000307614134 352670930 /nfs/dbraw/zinc/67/09/30/352670930.db2.gz NUQJUKLVGRQXRT-HZGVNTEJSA-N 1 0 219.737 2.042 10 0 BEAERO CCn1c([C@H]2CCC[C@H]([NH3+])C2)nc2cccnc21 ZINC000104317778 187804367 /nfs/dbraw/zinc/80/43/67/187804367.db2.gz PZOGHLGRLOFGIY-QWRGUYRKSA-N 1 0 244.342 2.436 10 0 BEAERO Cc1nnc(Sc2ccc(C[C@H](C)[NH3+])cc2)o1 ZINC000104302109 187804693 /nfs/dbraw/zinc/80/46/93/187804693.db2.gz PWEUGHXQLSWISJ-QMMMGPOBSA-N 1 0 249.339 2.419 10 0 BEAERO Nc1ccc(SC2CC[NH2+]CC2)c(F)c1 ZINC000043501302 187805206 /nfs/dbraw/zinc/80/52/06/187805206.db2.gz WRQMCDBTFWYMRO-UHFFFAOYSA-N 1 0 226.320 2.252 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ccnc(C(F)(F)F)c1 ZINC000310297825 187807331 /nfs/dbraw/zinc/80/73/31/187807331.db2.gz MPCGVOLQZILFKT-SECBINFHSA-N 1 0 247.264 2.496 10 0 BEAERO CC[C@](C)([NH3+])c1ccncc1Br ZINC000307624726 352702063 /nfs/dbraw/zinc/70/20/63/352702063.db2.gz SBKSGICQQFZQPU-VIFPVBQESA-N 1 0 229.121 2.428 10 0 BEAERO CC[C@@](C)(C(C)=O)[N@@H+]1CCSC[C@H]1C ZINC000307618588 352675738 /nfs/dbraw/zinc/67/57/38/352675738.db2.gz ZCKKCZGAIKRQTM-KOLCDFICSA-N 1 0 215.362 2.181 10 0 BEAERO COc1ccc([C@@H](O)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000083140143 187795997 /nfs/dbraw/zinc/79/59/97/187795997.db2.gz KUXNOPDPVSBTJW-FZMZJTMJSA-N 1 0 235.327 2.037 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccsc2Cl)C1 ZINC000307636108 352724060 /nfs/dbraw/zinc/72/40/60/352724060.db2.gz TXKBYZKVBKBUED-ZETCQYMHSA-N 1 0 216.737 2.200 10 0 BEAERO COc1ccc([C@@]2(C)C[C@H]2C[NH3+])cc1F ZINC000054587399 187830224 /nfs/dbraw/zinc/83/02/24/187830224.db2.gz ADANGWMSLZGLQQ-JOYOIKCWSA-N 1 0 209.264 2.071 10 0 BEAERO F[C@H](c1cnsc1)[C@H]1CCC[NH2+]C1 ZINC000405066150 352749439 /nfs/dbraw/zinc/74/94/39/352749439.db2.gz DFDOIUSYRWPRGU-CBAPKCEASA-N 1 0 200.282 2.153 10 0 BEAERO CC(C)(C)c1ccc([C@H](C[NH3+])CO)cc1 ZINC000071510610 187837262 /nfs/dbraw/zinc/83/72/62/187837262.db2.gz LSCYMINYWHRLIE-LLVKDONJSA-N 1 0 207.317 2.019 10 0 BEAERO CN1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000231359807 538105925 /nfs/dbraw/zinc/10/59/25/538105925.db2.gz GUIJFNHRAFCODD-SMDDNHRTSA-N 1 0 246.354 2.063 10 0 BEAERO [NH3+][C@@H](c1ccns1)C1CC(F)(F)C1 ZINC000307691223 352936341 /nfs/dbraw/zinc/93/63/41/352936341.db2.gz ONYWUYDJJFRYRX-SSDOTTSWSA-N 1 0 204.245 2.188 10 0 BEAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CCC(C)C)C1 ZINC000092052833 538105938 /nfs/dbraw/zinc/10/59/38/538105938.db2.gz XDETXDOIJWTREI-KBPBESRZSA-N 1 0 242.407 2.121 10 0 BEAERO CCC1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055088793 1172155071 /nfs/dbraw/zinc/15/50/71/1172155071.db2.gz QFWDZQQTTSIXEH-CHWSQXEVSA-N 1 0 238.375 2.153 10 0 BEAERO CCCCCN(C)C(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055126522 168685069 /nfs/dbraw/zinc/68/50/69/168685069.db2.gz CWRFGIFMVKABNP-RWMBFGLXSA-N 1 0 240.391 2.399 10 0 BEAERO [NH3+][C@H](Cc1csc(Cl)c1)[C@@H]1CCCO1 ZINC000306515370 353020946 /nfs/dbraw/zinc/02/09/46/353020946.db2.gz DELDGDKMZZRUFL-BDAKNGLRSA-N 1 0 231.748 2.450 10 0 BEAERO COC1(C[NH2+][C@@H]2CCC[C@H](O)C2)CCCCC1 ZINC000319442577 538107126 /nfs/dbraw/zinc/10/71/26/538107126.db2.gz LVVXYDWGPRSASK-OLZOCXBDSA-N 1 0 241.375 2.229 10 0 BEAERO CC[C@](C)(NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000638858676 353035573 /nfs/dbraw/zinc/03/55/73/353035573.db2.gz VHNHQZGDXGKKMP-JKOKRWQUSA-N 1 0 238.375 2.199 10 0 BEAERO C/C(=C/c1cn2ccsc2n1)[C@H](C)[NH3+] ZINC000393691199 353036004 /nfs/dbraw/zinc/03/60/04/353036004.db2.gz QWRZDLZKOCOPFH-TVSKSKRASA-N 1 0 207.302 2.146 10 0 BEAERO Cn1nccc1C1CC[NH+](Cc2ccco2)CC1 ZINC000092810498 180833026 /nfs/dbraw/zinc/83/30/26/180833026.db2.gz KPVZTOGJCILETD-UHFFFAOYSA-N 1 0 245.326 2.393 10 0 BEAERO F[C@@H](c1cscn1)C1CC[NH2+]CC1 ZINC000307372608 353071610 /nfs/dbraw/zinc/07/16/10/353071610.db2.gz RAMVVMNFLUZRIW-SECBINFHSA-N 1 0 200.282 2.153 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(F)cc1F ZINC000306791707 353038397 /nfs/dbraw/zinc/03/83/97/353038397.db2.gz YRYOKUPSJGZCQF-RQJHMYQMSA-N 1 0 200.232 2.112 10 0 BEAERO CCC(C)(C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000638866207 353040344 /nfs/dbraw/zinc/04/03/44/353040344.db2.gz PNICBKLVTPTCON-GFCCVEGCSA-N 1 0 240.391 2.461 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000638867022 353041163 /nfs/dbraw/zinc/04/11/63/353041163.db2.gz XEFLZGQVLQTIHC-NEPJUHHUSA-N 1 0 240.391 2.317 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638867024 353041246 /nfs/dbraw/zinc/04/12/46/353041246.db2.gz XEFLZGQVLQTIHC-RYUDHWBXSA-N 1 0 240.391 2.317 10 0 BEAERO CCCC[C@H](CC)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638883891 353050729 /nfs/dbraw/zinc/05/07/29/353050729.db2.gz CCBIRIVCGMPJLM-AGIUHOORSA-N 1 0 240.391 2.256 10 0 BEAERO C[C@@H]1CN(C(=O)C2CCCCCC2)C[C@H]1C[NH3+] ZINC000638886177 353053325 /nfs/dbraw/zinc/05/33/25/353053325.db2.gz GVDQXIJLHCEGMG-DGCLKSJQSA-N 1 0 238.375 2.010 10 0 BEAERO CC[C@@]1(C(=O)c2cc(C)ns2)CCC[NH2+]1 ZINC000307718047 353108647 /nfs/dbraw/zinc/10/86/47/353108647.db2.gz OGCZIIJGLFZALV-NSHDSACASA-N 1 0 224.329 2.166 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]C1CCC(F)CC1 ZINC000307723565 353111622 /nfs/dbraw/zinc/11/16/22/353111622.db2.gz VLRXISUOGWRIJM-IDWGSYCQSA-N 1 0 201.285 2.034 10 0 BEAERO Cn1nccc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000285507288 180844802 /nfs/dbraw/zinc/84/48/02/180844802.db2.gz DAELQKVYSBXMGC-CMPLNLGQSA-N 1 0 225.311 2.038 10 0 BEAERO C[C@H]1CN(C(=[NH2+])NCc2ccccc2)CCS1 ZINC000307709559 353100817 /nfs/dbraw/zinc/10/08/17/353100817.db2.gz MTQNVORYCJDACW-NSHDSACASA-N 1 0 249.383 2.148 10 0 BEAERO CCn1ccc([C@H]2C[NH2+]C[C@]2(C)CC)n1 ZINC000536951483 323956783 /nfs/dbraw/zinc/95/67/83/323956783.db2.gz RJQJYQWXEPODPT-PWSUYJOCSA-N 1 0 207.321 2.006 10 0 BEAERO Cc1ccc(C)c(CN(C)C(=O)[C@H]2CCC[NH2+]2)c1 ZINC000057535848 188086269 /nfs/dbraw/zinc/08/62/69/188086269.db2.gz LQDRIUBXHFBLAC-CQSZACIVSA-N 1 0 246.354 2.014 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC1 ZINC000118753949 188073656 /nfs/dbraw/zinc/07/36/56/188073656.db2.gz FQZSISBDNBSVSI-ZDUSSCGKSA-N 1 0 238.375 2.262 10 0 BEAERO CC(C)[N@H+](C[C@@H](O)C(F)(F)F)C1CCC1 ZINC000121623878 188075905 /nfs/dbraw/zinc/07/59/05/188075905.db2.gz CUOAWKOTJWZPFC-SECBINFHSA-N 1 0 225.254 2.173 10 0 BEAERO CC(C)N(C)c1nccc(C[NH3+])c1Cl ZINC000232640540 353152132 /nfs/dbraw/zinc/15/21/32/353152132.db2.gz PFADIKDVUXZDEB-UHFFFAOYSA-N 1 0 213.712 2.038 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)c2nccn21 ZINC000329285668 538108846 /nfs/dbraw/zinc/10/88/46/538108846.db2.gz OYEOJBASMVQAPI-XQHKEYJVSA-N 1 0 249.358 2.030 10 0 BEAERO CC(=O)CC[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000106211796 188081556 /nfs/dbraw/zinc/08/15/56/188081556.db2.gz ALVOVUBWVAQRQL-ZDUSSCGKSA-N 1 0 249.358 2.153 10 0 BEAERO CC(C)C(C[NH2+]C[C@@H]1[C@H]2COC[C@H]21)C(C)C ZINC000367608340 188081859 /nfs/dbraw/zinc/08/18/59/188081859.db2.gz YRDXGVSNECYMRE-ZSOGYDGISA-N 1 0 225.376 2.397 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)c2nccn21 ZINC000329303897 538108904 /nfs/dbraw/zinc/10/89/04/538108904.db2.gz WZOYEJGEBVSORS-VOAKCMCISA-N 1 0 249.358 2.030 10 0 BEAERO CCn1cc(C[NH2+]CCCCSC)cn1 ZINC000124942280 353170187 /nfs/dbraw/zinc/17/01/87/353170187.db2.gz RDVOTGAYFSTZSH-UHFFFAOYSA-N 1 0 227.377 2.136 10 0 BEAERO O=[N+]1Cc2ccccc2[C@@H](O)C12CCCCC2 ZINC000003929039 188101528 /nfs/dbraw/zinc/10/15/28/188101528.db2.gz WEOPEQDYGKXYHA-CYBMUJFWSA-N 1 0 231.295 2.366 10 0 BEAERO Cc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000011628079 188105220 /nfs/dbraw/zinc/10/52/20/188105220.db2.gz NAQLFSGZURMGFH-UHFFFAOYSA-N 1 0 230.267 2.299 10 0 BEAERO [NH3+][C@H](CN1CCCCCC1=O)c1ccccc1 ZINC000019277583 188107374 /nfs/dbraw/zinc/10/73/74/188107374.db2.gz URSHDPGSRGCKQO-CYBMUJFWSA-N 1 0 232.327 2.089 10 0 BEAERO CC(C)COCc1ccc(C(N)=[NH2+])cc1F ZINC000019475732 188107788 /nfs/dbraw/zinc/10/77/88/188107788.db2.gz KFQZWNNHBKQELN-UHFFFAOYSA-N 1 0 224.279 2.282 10 0 BEAERO CC(C)([NH3+])COc1ccc(F)cc1F ZINC000020398541 188108634 /nfs/dbraw/zinc/10/86/34/188108634.db2.gz XMRNHJFQCPEDGQ-UHFFFAOYSA-N 1 0 201.216 2.081 10 0 BEAERO C[N@@H+]1CCC[C@@H](COc2ccc(F)cc2N)C1 ZINC000020352135 188108660 /nfs/dbraw/zinc/10/86/60/188108660.db2.gz RAIIJUTZJDGQSB-SNVBAGLBSA-N 1 0 238.306 2.129 10 0 BEAERO CC(C)(C[NH3+])Oc1ccc(F)c(F)c1 ZINC000020398672 188108675 /nfs/dbraw/zinc/10/86/75/188108675.db2.gz BUVLFTJPBFTXAV-UHFFFAOYSA-N 1 0 201.216 2.081 10 0 BEAERO C([NH2+]C(C1CC1)C1CC1)[C@H]1CCCOC1 ZINC000038044076 188109197 /nfs/dbraw/zinc/10/91/97/188109197.db2.gz IZORBXWNFPJFNF-SNVBAGLBSA-N 1 0 209.333 2.191 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1NC(=O)C1CCC1 ZINC000022162094 188109531 /nfs/dbraw/zinc/10/95/31/188109531.db2.gz BYTPYOUPHFFICA-SECBINFHSA-N 1 0 218.300 2.445 10 0 BEAERO C[C@H]1CO[C@@H](c2ccc(Cl)s2)C[NH2+]1 ZINC000035286472 188111654 /nfs/dbraw/zinc/11/16/54/188111654.db2.gz PQHXSCSSYWJBPU-NKWVEPMBSA-N 1 0 217.721 2.451 10 0 BEAERO CC(C)C[C@@](C)(C[NH3+])N(C)Cc1cccnc1 ZINC000036770998 188112573 /nfs/dbraw/zinc/11/25/73/188112573.db2.gz SVHRAVYVAVSJBR-AWEZNQCLSA-N 1 0 235.375 2.277 10 0 BEAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000037622745 188113788 /nfs/dbraw/zinc/11/37/88/188113788.db2.gz ZDVMWXZQCAKDQN-XGNXJENSSA-N 1 0 246.354 2.381 10 0 BEAERO C(=C/c1ccccc1)\CNC1=[NH+]CCS1 ZINC000083349483 188123122 /nfs/dbraw/zinc/12/31/22/188123122.db2.gz GGTAMUPWUYVUPL-QPJJXVBHSA-N 1 0 218.325 2.392 10 0 BEAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000077334342 188116848 /nfs/dbraw/zinc/11/68/48/188116848.db2.gz FGNQSLKKQCLLTG-CYBMUJFWSA-N 1 0 222.307 2.180 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@H]([NH3+])CC[S@]2=O ZINC000040976363 188118334 /nfs/dbraw/zinc/11/83/34/188118334.db2.gz NMJQOQDXRVDCRT-BZNIZROVSA-N 1 0 237.368 2.495 10 0 BEAERO CC(C)(C)c1cn2c(C[NH3+])csc2n1 ZINC000040441483 188118553 /nfs/dbraw/zinc/11/85/53/188118553.db2.gz QBXWDZAGKQFPSZ-UHFFFAOYSA-N 1 0 209.318 2.152 10 0 BEAERO CCc1ccc(OCCC[NH2+]CCOC)cc1 ZINC000041582305 188119503 /nfs/dbraw/zinc/11/95/03/188119503.db2.gz ZUSQWUXDASTPIE-UHFFFAOYSA-N 1 0 237.343 2.254 10 0 BEAERO CC(C)N(CCC(N)=[NH2+])c1nc2ccccc2o1 ZINC000042529858 188120244 /nfs/dbraw/zinc/12/02/44/188120244.db2.gz NQQOVHOYVLQWPI-UHFFFAOYSA-N 1 0 246.314 2.369 10 0 BEAERO Oc1ccc(S[C@@H]2CCC[NH2+]C2)cc1 ZINC000043501713 188121614 /nfs/dbraw/zinc/12/16/14/188121614.db2.gz ASNQFGHJVGBLPB-LLVKDONJSA-N 1 0 209.314 2.236 10 0 BEAERO Cc1cc(C)n([C@@H](c2ccco2)[C@H](C)[NH3+])n1 ZINC000043336375 188121803 /nfs/dbraw/zinc/12/18/03/188121803.db2.gz JYIMJUJDTGPGMY-CMPLNLGQSA-N 1 0 219.288 2.030 10 0 BEAERO CC(C)[C@@H]1C[N@H+](C2CC2)[C@H](C(C)C)CN1 ZINC000083085165 188122123 /nfs/dbraw/zinc/12/21/23/188122123.db2.gz TYAOZRPZHKIZBJ-STQMWFEESA-N 1 0 210.365 2.103 10 0 BEAERO Cc1cc(N[C@@H]2CCCC[C@H]2[NH3+])nc(Cl)n1 ZINC000095068967 188145457 /nfs/dbraw/zinc/14/54/57/188145457.db2.gz KTWYUVZZNUIAEI-RKDXNWHRSA-N 1 0 240.738 2.120 10 0 BEAERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccncc1 ZINC000049195703 188124201 /nfs/dbraw/zinc/12/42/01/188124201.db2.gz OAFHOSXUSCGDDF-OCCSQVGLSA-N 1 0 235.375 2.318 10 0 BEAERO CCn1c2cc(F)ccc2nc1[C@H](C)C[NH3+] ZINC000054334394 188126561 /nfs/dbraw/zinc/12/65/61/188126561.db2.gz PITRTXYPOSMXJJ-MRVPVSSYSA-N 1 0 221.279 2.258 10 0 BEAERO CC(C)[C@H](C)N(C)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055147571 188126685 /nfs/dbraw/zinc/12/66/85/188126685.db2.gz QZXQJPAIDLVEOG-AVGNSLFASA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc(O)c(Cl)c1 ZINC000054929223 188126782 /nfs/dbraw/zinc/12/67/82/188126782.db2.gz SOBRQEGEWJNKPJ-CMPLNLGQSA-N 1 0 243.734 2.452 10 0 BEAERO CC(C)N(C)C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145635 188127326 /nfs/dbraw/zinc/12/73/26/188127326.db2.gz JPIMAHVYDXPOOQ-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO CCCn1cnnc1[C@H]([NH3+])C1CCCCC1 ZINC000054497917 188127350 /nfs/dbraw/zinc/12/73/50/188127350.db2.gz SEIOEBWGTOSVMU-LLVKDONJSA-N 1 0 222.336 2.268 10 0 BEAERO C(c1nc(C2CCCCC2)n[nH]1)[C@H]1CCC[NH2+]C1 ZINC000054302131 188127438 /nfs/dbraw/zinc/12/74/38/188127438.db2.gz YMKGHQHHYHEPII-LLVKDONJSA-N 1 0 248.374 2.395 10 0 BEAERO Cc1nnc(Sc2ccc([C@H](C)[NH3+])cc2)n1C ZINC000104182742 188150411 /nfs/dbraw/zinc/15/04/11/188150411.db2.gz LQVXHQODXAHCSQ-QMMMGPOBSA-N 1 0 248.355 2.294 10 0 BEAERO Cc1cnc(SC[C@@H]2CCCC[NH2+]2)nc1 ZINC000043495599 188151823 /nfs/dbraw/zinc/15/18/23/188151823.db2.gz SLBVTICTUOWMKW-JTQLQIEISA-N 1 0 223.345 2.019 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC000638996524 353232996 /nfs/dbraw/zinc/23/29/96/353232996.db2.gz MRGNZKXEKQVYPZ-HOSYDEDBSA-N 1 0 226.364 2.055 10 0 BEAERO COc1ccc2[nH]c(C)c(CCC[NH3+])c2c1 ZINC000003162992 188160803 /nfs/dbraw/zinc/16/08/03/188160803.db2.gz XBGHNWZQUGBIMR-UHFFFAOYSA-N 1 0 218.300 2.376 10 0 BEAERO Cc1cc(NC(=O)[C@H]([NH3+])CC(C)C)cs1 ZINC000638994138 353225617 /nfs/dbraw/zinc/22/56/17/353225617.db2.gz JUSBAZNMBMGRNP-SNVBAGLBSA-N 1 0 226.345 2.368 10 0 BEAERO FC(F)(F)c1ccnc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000096895353 180896932 /nfs/dbraw/zinc/89/69/32/180896932.db2.gz MRXNBQYUBPFCJR-QMMMGPOBSA-N 1 0 245.248 2.038 10 0 BEAERO CC(C)([NH3+])C(=O)Cc1cc(F)ccc1Cl ZINC000082348270 188173404 /nfs/dbraw/zinc/17/34/04/188173404.db2.gz BDQANEKTJQJSMZ-UHFFFAOYSA-N 1 0 229.682 2.328 10 0 BEAERO CC(C)(C)Oc1c(N)[nH+]ccc1OC1CC1 ZINC000095721978 188146236 /nfs/dbraw/zinc/14/62/36/188146236.db2.gz CBRKZFYNKWTXQY-UHFFFAOYSA-N 1 0 222.288 2.382 10 0 BEAERO CC(C)([NH3+])c1nc2cc(F)c(F)cc2[nH]1 ZINC000040911242 188149744 /nfs/dbraw/zinc/14/97/44/188149744.db2.gz DCGRTSBGXPIQNL-UHFFFAOYSA-N 1 0 211.215 2.035 10 0 BEAERO CC(C)(O)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336770943 188176654 /nfs/dbraw/zinc/17/66/54/188176654.db2.gz XDFPIURNJWQMDK-MNOVXSKESA-N 1 0 217.328 2.265 10 0 BEAERO CC(C)C[C@H]([NH3+])Cc1ccc(O)cc1O ZINC000054928525 188178079 /nfs/dbraw/zinc/17/80/79/188178079.db2.gz KFNZMMVQTJGDQF-JTQLQIEISA-N 1 0 209.289 2.014 10 0 BEAERO CC(C)[C@H](C[NH3+])N1CCc2ccccc21 ZINC000022167105 188179340 /nfs/dbraw/zinc/17/93/40/188179340.db2.gz PPNJUHJJRSDVHM-ZDUSSCGKSA-N 1 0 204.317 2.032 10 0 BEAERO CC(C)C[C@@H](CN)[NH+]1CCC(C)(C)CC1 ZINC000061819020 188183865 /nfs/dbraw/zinc/18/38/65/188183865.db2.gz XNAPNPZNRUAULN-LBPRGKRZSA-N 1 0 212.381 2.482 10 0 BEAERO CC(C)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000062569184 188185553 /nfs/dbraw/zinc/18/55/53/188185553.db2.gz QNEDUVPWULUDID-ZDUSSCGKSA-N 1 0 204.317 2.041 10 0 BEAERO C[C@@H](CC1CCC1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000638998368 353241797 /nfs/dbraw/zinc/24/17/97/353241797.db2.gz VLDMGPMHTRGAJY-WCQYABFASA-N 1 0 238.375 2.214 10 0 BEAERO CC(C)[N@H+](C)CCNc1ncnc2ccccc21 ZINC000054128378 188221772 /nfs/dbraw/zinc/22/17/72/188221772.db2.gz WFOBXGYYUMAYQP-UHFFFAOYSA-N 1 0 244.342 2.382 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2ccncc2)C[C@@H](C)O1 ZINC000282284240 188206954 /nfs/dbraw/zinc/20/69/54/188206954.db2.gz QPJYZRSRLABTES-VXGBXAGGSA-N 1 0 234.343 2.375 10 0 BEAERO CC(C)[C@@]1(C(=O)c2ccoc2)CC[NH2+]C1 ZINC000232719900 353269016 /nfs/dbraw/zinc/26/90/16/353269016.db2.gz CQVFIUXZLKLICA-GFCCVEGCSA-N 1 0 207.273 2.098 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000134623179 188222931 /nfs/dbraw/zinc/22/29/31/188222931.db2.gz XYQWFUITOHLRQQ-NEPJUHHUSA-N 1 0 209.337 2.296 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccccn1 ZINC000252661889 353303640 /nfs/dbraw/zinc/30/36/40/353303640.db2.gz QUZNMLQGXXSRGV-HIFRSBDPSA-N 1 0 245.370 2.140 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cccn1 ZINC000336672761 180935863 /nfs/dbraw/zinc/93/58/63/180935863.db2.gz HKZJHSOROMKXSK-RYUDHWBXSA-N 1 0 225.311 2.001 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)C1(C)CC1 ZINC000122802457 324058699 /nfs/dbraw/zinc/05/86/99/324058699.db2.gz BFJVONPXPVDOGQ-GRYCIOLGSA-N 1 0 222.376 2.390 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]C1CCOCC1 ZINC000336734130 180936324 /nfs/dbraw/zinc/93/63/24/180936324.db2.gz MVPHVIQFCOVXRC-CMPLNLGQSA-N 1 0 215.312 2.283 10 0 BEAERO C(NC1=[NH+]C2(CCCC2)CS1)C1CC1 ZINC000053044998 353371586 /nfs/dbraw/zinc/37/15/86/353371586.db2.gz REDNPZWTPAUUAE-UHFFFAOYSA-N 1 0 210.346 2.402 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ccc(C(F)(F)F)nn1 ZINC000167165909 133966262 /nfs/dbraw/zinc/96/62/62/133966262.db2.gz QCKZBVBMVRBFNH-SSDOTTSWSA-N 1 0 248.252 2.035 10 0 BEAERO Fc1cc(F)cc([C@]2(F)CC[NH2+]C2)c1 ZINC000107143647 180954849 /nfs/dbraw/zinc/95/48/49/180954849.db2.gz PDOGFKRZZSBEGE-JTQLQIEISA-N 1 0 201.191 2.123 10 0 BEAERO Fc1cc(F)cc(OC2CC[NH2+]CC2)c1 ZINC000054933142 180954234 /nfs/dbraw/zinc/95/42/34/180954234.db2.gz LOUAZNRLAKBOOK-UHFFFAOYSA-N 1 0 213.227 2.096 10 0 BEAERO NC(=[NH2+])Cc1c(F)ccc(Br)c1F ZINC000230314571 353486226 /nfs/dbraw/zinc/48/62/26/353486226.db2.gz YLEJRKUMEMTXQA-UHFFFAOYSA-N 1 0 249.058 2.206 10 0 BEAERO C[C@@H](c1nc2cccnc2s1)[C@H](C)[NH3+] ZINC000165692017 353458446 /nfs/dbraw/zinc/45/84/46/353458446.db2.gz IVVYJUFIHXPHSZ-RQJHMYQMSA-N 1 0 207.302 2.142 10 0 BEAERO CC1(C)CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000061818770 353534531 /nfs/dbraw/zinc/53/45/31/353534531.db2.gz SNZWWVOUIZDURY-UHFFFAOYSA-N 1 0 246.354 2.408 10 0 BEAERO C[C@H]1C[C@H](c2ncc(Cl)s2)C[NH2+]1 ZINC000223275916 353602962 /nfs/dbraw/zinc/60/29/62/353602962.db2.gz VKIXPKOAUFQIFJ-WDSKDSINSA-N 1 0 202.710 2.262 10 0 BEAERO CC(C)Cc1ccc([C@](C)(O)C[NH3+])cc1 ZINC000036158262 188458518 /nfs/dbraw/zinc/45/85/18/188458518.db2.gz LVWJLCGNHAWOHZ-CYBMUJFWSA-N 1 0 207.317 2.051 10 0 BEAERO CCOc1ccc(CC[C@H](C)[NH3+])cc1OC ZINC000062153529 188486126 /nfs/dbraw/zinc/48/61/26/188486126.db2.gz ZEXNKKLAYFJSNX-JTQLQIEISA-N 1 0 223.316 2.374 10 0 BEAERO Fc1cccc(F)c1N[C@H]1CCC[NH2+]C1 ZINC000043325227 181001272 /nfs/dbraw/zinc/00/12/72/181001272.db2.gz MUNWBJQAWUVJNU-QMMMGPOBSA-N 1 0 212.243 2.129 10 0 BEAERO Cc1ccc(F)c(N2CCC[NH2+]CCC2)c1 ZINC000049665664 188481637 /nfs/dbraw/zinc/48/16/37/188481637.db2.gz YHWNNPSOQSUIEA-UHFFFAOYSA-N 1 0 222.307 2.324 10 0 BEAERO Fc1cccc(OC[C@H]2CCCC[NH2+]2)c1F ZINC000062615188 181002561 /nfs/dbraw/zinc/00/25/61/181002561.db2.gz AGWCAYXIOGZBIG-SECBINFHSA-N 1 0 227.254 2.486 10 0 BEAERO Fc1cccc(OC[C@@H]2CCCC[NH2+]2)c1F ZINC000062615186 181003220 /nfs/dbraw/zinc/00/32/20/181003220.db2.gz AGWCAYXIOGZBIG-VIFPVBQESA-N 1 0 227.254 2.486 10 0 BEAERO Fc1ccccc1-c1nnc(CC[NH2+]C2CC2)o1 ZINC000050620318 181009158 /nfs/dbraw/zinc/00/91/58/181009158.db2.gz YJUHBSIWJFVOMA-UHFFFAOYSA-N 1 0 247.273 2.170 10 0 BEAERO C[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C[NH2+]1 ZINC000399047529 353741434 /nfs/dbraw/zinc/74/14/34/353741434.db2.gz VFFKRECICIBIDR-VHSXEESVSA-N 1 0 233.290 2.250 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ccc(F)cc2C#N)C[NH2+]1 ZINC000399044814 353741725 /nfs/dbraw/zinc/74/17/25/353741725.db2.gz UCFLWQUMXJBQAV-JOYOIKCWSA-N 1 0 233.290 2.250 10 0 BEAERO C(=C1C[NH2+]C1)c1nc2ccccc2s1 ZINC000129593832 353746859 /nfs/dbraw/zinc/74/68/59/353746859.db2.gz IHJAHRSWWDXMQH-UHFFFAOYSA-N 1 0 202.282 2.283 10 0 BEAERO Fc1cnccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000083694581 181021033 /nfs/dbraw/zinc/02/10/33/181021033.db2.gz VRHFPJZFCWNIIS-AWEZNQCLSA-N 1 0 228.270 2.456 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2ccns2)C[C@@H](C)O1 ZINC000639136875 353846764 /nfs/dbraw/zinc/84/67/64/353846764.db2.gz XBUZBBOEYXGCJS-NXEZZACHSA-N 1 0 240.372 2.436 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000343514632 353924878 /nfs/dbraw/zinc/92/48/78/353924878.db2.gz PAZMVGURKXHYRJ-HKUMRIAESA-N 1 0 241.375 2.205 10 0 BEAERO CCOC1CC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000343520474 353926490 /nfs/dbraw/zinc/92/64/90/353926490.db2.gz CNGXCMMBCBSPFK-BCVKRFQSSA-N 1 0 241.375 2.347 10 0 BEAERO CCN(C)c1nc2c(s1)[C@@H]([NH2+]C)CCC2 ZINC000054902233 188536203 /nfs/dbraw/zinc/53/62/03/188536203.db2.gz JLERHPOMIVBMIK-QMMMGPOBSA-N 1 0 225.361 2.196 10 0 BEAERO COC1CC([NH2+][C@@H](C)c2csc(C)n2)C1 ZINC000230675715 363319395 /nfs/dbraw/zinc/31/93/95/363319395.db2.gz HHDFEENXYQCECY-WFRXLMHJSA-N 1 0 226.345 2.280 10 0 BEAERO CCC[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113229787 354295191 /nfs/dbraw/zinc/29/51/91/354295191.db2.gz XGBNUFBLPAXUHJ-RWMBFGLXSA-N 1 0 238.375 2.118 10 0 BEAERO C[C@@H]1C[N@H+](C)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000390255416 354388015 /nfs/dbraw/zinc/38/80/15/354388015.db2.gz WFNALLOMRMDNSP-MFKMUULPSA-N 1 0 239.746 2.499 10 0 BEAERO Cc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)nc1C ZINC000578004874 366172955 /nfs/dbraw/zinc/17/29/55/366172955.db2.gz CRBPHMYLOQRABW-ZIAGYGMSSA-N 1 0 247.386 2.176 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cc[nH]c1 ZINC000178993536 366198335 /nfs/dbraw/zinc/19/83/35/366198335.db2.gz FHSOTWMWTBXOGT-CQSZACIVSA-N 1 0 235.375 2.225 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CCN1c1ccccc1 ZINC000083086502 535264560 /nfs/dbraw/zinc/26/45/60/535264560.db2.gz XVEDKHXPWJMXAB-ZDUSSCGKSA-N 1 0 204.317 2.121 10 0 BEAERO C[C@H](c1nncn1C)[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000335085687 354619393 /nfs/dbraw/zinc/61/93/93/354619393.db2.gz LDCXXBKQAMRNOG-WDEREUQCSA-N 1 0 234.347 2.141 10 0 BEAERO CC(C)C1([NH2+][C@H](C)C(=O)N2CCCCC2)CC1 ZINC000379457040 358489565 /nfs/dbraw/zinc/48/95/65/358489565.db2.gz QNBCEZQLLXTRAK-GFCCVEGCSA-N 1 0 238.375 2.166 10 0 BEAERO Cc1ccc(C)c(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000335136029 354785698 /nfs/dbraw/zinc/78/56/98/354785698.db2.gz VYFWWQNWZNAOAO-RYUDHWBXSA-N 1 0 247.342 2.114 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCS[C@@H](C)C1 ZINC000232861118 363387294 /nfs/dbraw/zinc/38/72/94/363387294.db2.gz VWTQJZYVERCPPO-JTQLQIEISA-N 1 0 215.362 2.183 10 0 BEAERO Cc1ccc(C(=O)[C@H]2CCC[C@H]2[NH3+])s1 ZINC000226482921 363393215 /nfs/dbraw/zinc/39/32/15/363393215.db2.gz CSGQJWLESNCGDU-DTWKUNHWSA-N 1 0 209.314 2.367 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cncn1CC ZINC000233307471 363398796 /nfs/dbraw/zinc/39/87/96/363398796.db2.gz HGTMIZKKYZJFNZ-ZYHUDNBSSA-N 1 0 207.321 2.181 10 0 BEAERO CC(C)(O)C(C)(C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000227343238 535272962 /nfs/dbraw/zinc/27/29/62/535272962.db2.gz YVHFJFYXPHHFSZ-GFCCVEGCSA-N 1 0 249.354 2.129 10 0 BEAERO CC[C@@H](C)CN(CC)C(=O)C1CCC([NH3+])CC1 ZINC000093254527 491073356 /nfs/dbraw/zinc/07/33/56/491073356.db2.gz BZNAJDXRUUFZJQ-PNESKVBLSA-N 1 0 240.391 2.399 10 0 BEAERO [NH2+]=C(CCOc1ccc2c(c1)CCCC2)NO ZINC000041263104 181185400 /nfs/dbraw/zinc/18/54/00/181185400.db2.gz MZRLELIYZKBOOX-UHFFFAOYSA-N 1 0 234.299 2.290 10 0 BEAERO NC(=[NH2+])CCOc1ccccc1Br ZINC000019512392 181187046 /nfs/dbraw/zinc/18/70/46/181187046.db2.gz JNWNXSKLHCIIIP-UHFFFAOYSA-N 1 0 243.104 2.154 10 0 BEAERO NC(=[NH2+])c1ccc(COC[C@H]2CCCCO2)cc1 ZINC000019478975 181194431 /nfs/dbraw/zinc/19/44/31/181194431.db2.gz WQKFHCPWPPBNBK-CYBMUJFWSA-N 1 0 248.326 2.056 10 0 BEAERO NC(=[NH2+])c1ccc(N2CCc3ccccc32)nc1 ZINC000019474370 181195562 /nfs/dbraw/zinc/19/55/62/181195562.db2.gz URGCIIAVIWEENP-UHFFFAOYSA-N 1 0 238.294 2.060 10 0 BEAERO NC(=[NH2+])c1cccc(COC[C@@H]2CCCCO2)c1 ZINC000019511798 181196044 /nfs/dbraw/zinc/19/60/44/181196044.db2.gz QUDINDMFXFMGAH-ZDUSSCGKSA-N 1 0 248.326 2.056 10 0 BEAERO NC(=[NH2+])c1ccccc1COC[C@H]1CCCCO1 ZINC000019476651 181196389 /nfs/dbraw/zinc/19/63/89/181196389.db2.gz SREJXUJGMMPFMB-GFCCVEGCSA-N 1 0 248.326 2.056 10 0 BEAERO NC(=[NH2+])c1nccc2cc(Cl)ccc21 ZINC000082768614 181198047 /nfs/dbraw/zinc/19/80/47/181198047.db2.gz RUMJTMGUOFDDIR-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1ccnc(Oc2cccc(F)c2F)c1 ZINC000062615482 181196840 /nfs/dbraw/zinc/19/68/40/181196840.db2.gz LZZSXZHGAQVPFY-UHFFFAOYSA-N 1 0 249.220 2.436 10 0 BEAERO C[C@H](C[NH3+])Sc1ccc(N)cc1Cl ZINC000160244498 355581955 /nfs/dbraw/zinc/58/19/55/355581955.db2.gz LSNVYKDAIGEWOP-ZCFIWIBFSA-N 1 0 216.737 2.362 10 0 BEAERO [NH2+]=C(Nc1cccc2cnccc21)NC1CC1 ZINC000052091533 181200058 /nfs/dbraw/zinc/20/00/58/181200058.db2.gz DDKWYHVJWCJBAC-UHFFFAOYSA-N 1 0 226.283 2.333 10 0 BEAERO C[C@@H]1Oc2cc(F)c(Cl)cc2[C@@H]1[NH3+] ZINC000134375376 355593771 /nfs/dbraw/zinc/59/37/71/355593771.db2.gz FGGCTPMOWSXBBT-AJAUBTJJSA-N 1 0 201.628 2.260 10 0 BEAERO C[C@H]1Oc2cc(F)c(Cl)cc2[C@H]1[NH3+] ZINC000134375312 355594168 /nfs/dbraw/zinc/59/41/68/355594168.db2.gz FGGCTPMOWSXBBT-MOFOKWOHSA-N 1 0 201.628 2.260 10 0 BEAERO CC[C@@H]1C[NH2+]C(C)(C)CN1C/C=C\Cl ZINC000308421827 355567721 /nfs/dbraw/zinc/56/77/21/355567721.db2.gz OVYIOUFGEVCANS-WWQCOOJYSA-N 1 0 216.756 2.201 10 0 BEAERO NC(=O)C1([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000335621007 181201803 /nfs/dbraw/zinc/20/18/03/181201803.db2.gz BLJOPBPPKUNIDZ-LLVKDONJSA-N 1 0 216.284 2.331 10 0 BEAERO C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccccc1 ZINC000034481173 355840147 /nfs/dbraw/zinc/84/01/47/355840147.db2.gz GDWQHRLREBUYNF-DGCLKSJQSA-N 1 0 204.317 2.439 10 0 BEAERO COc1csc([C@H]([NH3+])C2=CCCO2)c1 ZINC000168470314 355841065 /nfs/dbraw/zinc/84/10/65/355841065.db2.gz TVUINDAGQKOFJI-SNVBAGLBSA-N 1 0 211.286 2.061 10 0 BEAERO CC(C)[C@@](C)(C[NH3+])NC(=O)CSC(C)(C)C ZINC000132791817 191891140 /nfs/dbraw/zinc/89/11/40/191891140.db2.gz COAXTUJSRZVWEA-GFCCVEGCSA-N 1 0 246.420 2.008 10 0 BEAERO NC(=O)C1([NH2+]Cc2cccs2)CCCCC1 ZINC000037946403 181215393 /nfs/dbraw/zinc/21/53/93/181215393.db2.gz NBEPFOSEIXJHSY-UHFFFAOYSA-N 1 0 238.356 2.026 10 0 BEAERO CCCCN(C(=O)C[C@@H](C)[NH2+]CC)C1CC1 ZINC000061272193 168754298 /nfs/dbraw/zinc/75/42/98/168754298.db2.gz NJXGFPHEZLOBCH-LLVKDONJSA-N 1 0 226.364 2.166 10 0 BEAERO CC(C)=CC[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000192344147 355982111 /nfs/dbraw/zinc/98/21/11/355982111.db2.gz WJXILHFTHUKIAP-QWHCGFSZSA-N 1 0 209.333 2.500 10 0 BEAERO C[NH2+]C[C@@H](C)c1nc2c(s1)CSCC2 ZINC000167378654 355986710 /nfs/dbraw/zinc/98/67/10/355986710.db2.gz ITUGQTHDAFRCOR-SSDOTTSWSA-N 1 0 228.386 2.255 10 0 BEAERO CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]2CCCO)C1 ZINC000639471166 356261004 /nfs/dbraw/zinc/26/10/04/356261004.db2.gz WGWHHMWIGRKYFW-OLZOCXBDSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@]([NH3+])(C(=O)c1ccc(F)cc1)C1CC1 ZINC000168566969 356422462 /nfs/dbraw/zinc/42/24/62/356422462.db2.gz RXJLMPNFTTZTEV-LBPRGKRZSA-N 1 0 207.248 2.136 10 0 BEAERO C[C@]([NH3+])(C(=O)c1cccc(F)c1)C1CC1 ZINC000168580038 356424190 /nfs/dbraw/zinc/42/41/90/356424190.db2.gz OZARXHNKNHFIIE-GFCCVEGCSA-N 1 0 207.248 2.136 10 0 BEAERO N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000020260082 356488160 /nfs/dbraw/zinc/48/81/60/356488160.db2.gz PMDGVUJWHYIPGG-KBPBESRZSA-N 1 0 216.328 2.097 10 0 BEAERO CCCCN(C)C(=O)c1cccc(CC[NH3+])c1 ZINC000053661784 168766156 /nfs/dbraw/zinc/76/61/56/168766156.db2.gz GEJMXFFOQLWJON-UHFFFAOYSA-N 1 0 234.343 2.060 10 0 BEAERO CC(=O)N[C@@H](CCC[NH+](C)C)c1ccccc1 ZINC000001853343 356623582 /nfs/dbraw/zinc/62/35/82/356623582.db2.gz NYIGZNRKGBCDJB-AWEZNQCLSA-N 1 0 234.343 2.206 10 0 BEAERO CC[C@@]1(C(F)(F)F)CC[C@@H](CC[NH3+])O1 ZINC000675056493 538479157 /nfs/dbraw/zinc/47/91/57/538479157.db2.gz KUILUSRQLLUDOV-YUMQZZPRSA-N 1 0 211.227 2.225 10 0 BEAERO C[C@@H]1CCCN(CC23CCC(CC2)[NH2+]3)C1 ZINC000675056243 538477551 /nfs/dbraw/zinc/47/75/51/538477551.db2.gz MZBIBULHADXDSP-PNESKVBLSA-N 1 0 208.349 2.003 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(CC23CCC(CC2)[NH2+]3)C1 ZINC000675056184 538477579 /nfs/dbraw/zinc/47/75/79/538477579.db2.gz LEPRMAFBNCRDIO-IWMBGFJWSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@H]1C[NH2+]CCN1CC1CCC(F)(F)CC1 ZINC000675056064 538477706 /nfs/dbraw/zinc/47/77/06/538477706.db2.gz JNRQPIYQSLDZDO-SNVBAGLBSA-N 1 0 232.318 2.106 10 0 BEAERO C[C@@H]1C[C@H](C)CN(CC23CCC(CC2)[NH2+]3)C1 ZINC000675056185 538477995 /nfs/dbraw/zinc/47/79/95/538477995.db2.gz LEPRMAFBNCRDIO-VTXSZYRJSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccco1 ZINC000167641232 134153265 /nfs/dbraw/zinc/15/32/65/134153265.db2.gz DJFZDJKVLQHAFH-ONGXEEELSA-N 1 0 211.305 2.337 10 0 BEAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccco1 ZINC000167641550 134153143 /nfs/dbraw/zinc/15/31/43/134153143.db2.gz DJFZDJKVLQHAFH-MWLCHTKSSA-N 1 0 211.305 2.337 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[Si]2(CCCC2)C[NH2+]1 ZINC000675061326 538487203 /nfs/dbraw/zinc/48/72/03/538487203.db2.gz ZDEXIQVWWSXHHF-JTQLQIEISA-N 1 0 241.407 2.082 10 0 BEAERO Cc1ccc([C@@H]2CC[C@H](C[NH3+])OC2)cc1 ZINC000675060988 538487218 /nfs/dbraw/zinc/48/72/18/538487218.db2.gz UKUVAMIRLQHHIS-CHWSQXEVSA-N 1 0 205.301 2.216 10 0 BEAERO CCc1cn2c(n1)[C@H](C1CCC1)[NH2+]CCC2 ZINC000675067875 538495821 /nfs/dbraw/zinc/49/58/21/538495821.db2.gz KONMKWVGYSEZMU-LBPRGKRZSA-N 1 0 219.332 2.280 10 0 BEAERO COc1nc2c(cc(F)c(F)c2F)cc1C[NH3+] ZINC000675069822 538498895 /nfs/dbraw/zinc/49/88/95/538498895.db2.gz KTPSAFFZCIWLLX-UHFFFAOYSA-N 1 0 242.200 2.119 10 0 BEAERO CCCc1cn2c(n1)[C@@H](CSC)[NH2+]CCC2 ZINC000675069751 538499515 /nfs/dbraw/zinc/49/95/15/538499515.db2.gz XVBZZGPHRVBZGU-LLVKDONJSA-N 1 0 239.388 2.233 10 0 BEAERO COc1nc2c(ccc(C)c2F)cc1C[NH3+] ZINC000675070088 538500511 /nfs/dbraw/zinc/50/05/11/538500511.db2.gz PESJVCWIMRBERR-UHFFFAOYSA-N 1 0 220.247 2.150 10 0 BEAERO CCc1cn2c(n1)[C@@H](CC1CC1)[NH2+]CCC2 ZINC000675070028 538500541 /nfs/dbraw/zinc/50/05/41/538500541.db2.gz ZTUJTGXLDJYVQV-GFCCVEGCSA-N 1 0 219.332 2.280 10 0 BEAERO C[C@H]([NH3+])c1ccc(-c2cnn3cccnc23)cc1 ZINC000675072480 538503072 /nfs/dbraw/zinc/50/30/72/538503072.db2.gz HOCLZDMVSKIOMS-JTQLQIEISA-N 1 0 238.294 2.416 10 0 BEAERO CC(C)NC(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675073003 538504173 /nfs/dbraw/zinc/50/41/73/538504173.db2.gz GKCCJVCWOSFVED-UHFFFAOYSA-N 1 0 241.379 2.136 10 0 BEAERO C[C@H]([NH3+])c1ccc(-c2cnn3c2NCCC3)cc1 ZINC000675073150 538504878 /nfs/dbraw/zinc/50/48/78/538504878.db2.gz SFWMRGUCBINAMM-JTQLQIEISA-N 1 0 242.326 2.385 10 0 BEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C(C)C ZINC000167766498 134153818 /nfs/dbraw/zinc/15/38/18/134153818.db2.gz LQVXGMSKJZTRLH-QWRGUYRKSA-N 1 0 236.363 2.310 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000399488544 356665110 /nfs/dbraw/zinc/66/51/10/356665110.db2.gz SGVIHMRFJCJNGA-TVQRCGJNSA-N 1 0 241.281 2.310 10 0 BEAERO CC[C@@H](C)[NH2+]Cc1c(OC)nsc1OC ZINC000675075282 538508908 /nfs/dbraw/zinc/50/89/08/538508908.db2.gz KOBFMUUUKVLXNG-SSDOTTSWSA-N 1 0 230.333 2.048 10 0 BEAERO CC(C)(C)OC(=O)c1ccc2c(c1)CC[NH2+]C2 ZINC000675076414 538510614 /nfs/dbraw/zinc/51/06/14/538510614.db2.gz WOTYINDJJXTATE-UHFFFAOYSA-N 1 0 233.311 2.288 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)C1CC1 ZINC000168001260 134155129 /nfs/dbraw/zinc/15/51/29/134155129.db2.gz SLEYBCITYXIAID-AGIUHOORSA-N 1 0 211.349 2.316 10 0 BEAERO [NH3+]CC[C@@H](O)c1cccc(Cl)c1Cl ZINC000083557804 538514367 /nfs/dbraw/zinc/51/43/67/538514367.db2.gz PSLODMRSWABYTE-MRVPVSSYSA-N 1 0 220.099 2.376 10 0 BEAERO O[C@H]1C=C(c2cscc2C(F)F)C[NH2+]C1 ZINC000675078302 538515664 /nfs/dbraw/zinc/51/56/64/538515664.db2.gz WZZIPZDNSQEJIY-ZETCQYMHSA-N 1 0 231.267 2.033 10 0 BEAERO Cc1cccc(C)c1Cn1cc[nH+]c1N ZINC000126570856 538534409 /nfs/dbraw/zinc/53/44/09/538534409.db2.gz VLHFXMOCZRPEBP-UHFFFAOYSA-N 1 0 201.273 2.130 10 0 BEAERO CC(C)CC[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000220260835 538539841 /nfs/dbraw/zinc/53/98/41/538539841.db2.gz IASMAIWZLBPUKT-JTQLQIEISA-N 1 0 207.321 2.043 10 0 BEAERO CC(C)CC[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000220260280 538539863 /nfs/dbraw/zinc/53/98/63/538539863.db2.gz CSWBFTQKAKIGRX-GFCCVEGCSA-N 1 0 207.321 2.207 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000086499520 538555666 /nfs/dbraw/zinc/55/56/66/538555666.db2.gz JXCQEZMQQHWSTD-LLVKDONJSA-N 1 0 207.248 2.151 10 0 BEAERO O=C(C[C@H]1CCCCC[NH2+]1)c1nccs1 ZINC000086499874 538555829 /nfs/dbraw/zinc/55/58/29/538555829.db2.gz AXRIVRCCLUEHIF-SECBINFHSA-N 1 0 224.329 2.248 10 0 BEAERO C[C@H](C(=O)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000086499577 538555868 /nfs/dbraw/zinc/55/58/68/538555868.db2.gz ZQSXXJIARFBZQA-IUCAKERBSA-N 1 0 209.314 2.319 10 0 BEAERO O=C(C[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000086499698 538555930 /nfs/dbraw/zinc/55/59/30/538555930.db2.gz GBVOAAXTSJXOQL-SECBINFHSA-N 1 0 209.314 2.463 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000086499522 538556088 /nfs/dbraw/zinc/55/60/88/538556088.db2.gz PJFDRMJIHIURQW-SECBINFHSA-N 1 0 207.248 2.151 10 0 BEAERO C[C@@H](C(=O)c1ccco1)[C@H]1CCCC[NH2+]1 ZINC000086499760 538556100 /nfs/dbraw/zinc/55/61/00/538556100.db2.gz SSSIYZOYLJIUGV-NXEZZACHSA-N 1 0 207.273 2.241 10 0 BEAERO CCOC[C@H]([NH3+])CCCc1ccccc1 ZINC000084063929 538527073 /nfs/dbraw/zinc/52/70/73/538527073.db2.gz HLYWEENWLLQMGC-CYBMUJFWSA-N 1 0 207.317 2.373 10 0 BEAERO CC[C@H](C[NH3+])[C@@H](O)c1sccc1Cl ZINC000087723051 538569118 /nfs/dbraw/zinc/56/91/18/538569118.db2.gz UATHPIJMEMUKKQ-HTRCEHHLSA-N 1 0 219.737 2.420 10 0 BEAERO CC[C@H]([NH3+])CNc1nccc2ccccc21 ZINC000160236096 356727869 /nfs/dbraw/zinc/72/78/69/356727869.db2.gz HKFDLUFMIQEBRS-NSHDSACASA-N 1 0 215.300 2.384 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)C1 ZINC000389586876 356995731 /nfs/dbraw/zinc/99/57/31/356995731.db2.gz ZCLLSMKBPCVGDQ-YIYPIFLZSA-N 1 0 224.392 2.495 10 0 BEAERO C[C@H](CC1CC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000389607387 357002297 /nfs/dbraw/zinc/00/22/97/357002297.db2.gz ZCOWPECEQCEJRI-NQBHXWOUSA-N 1 0 210.365 2.092 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncnc2ccccc21 ZINC000389693226 357015968 /nfs/dbraw/zinc/01/59/68/357015968.db2.gz AFBAEJJTAWKGHJ-GWCFXTLKSA-N 1 0 242.326 2.040 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncnc2sccc21 ZINC000389702132 357017250 /nfs/dbraw/zinc/01/72/50/357017250.db2.gz JXJZSZQRHXRDHV-PSASIEDQSA-N 1 0 248.355 2.101 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncnc2ccsc21 ZINC000389710720 357018043 /nfs/dbraw/zinc/01/80/43/357018043.db2.gz UOMFFXPISKBSJD-WPRPVWTQSA-N 1 0 248.355 2.101 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CCCC(C)(F)F ZINC000390115192 357082387 /nfs/dbraw/zinc/08/23/87/357082387.db2.gz ZRUMSZXRGWYHHY-SECBINFHSA-N 1 0 223.307 2.418 10 0 BEAERO Cc1cc(CNc2ccc3c([nH+]2)CCC3)ccn1 ZINC000391312422 357127855 /nfs/dbraw/zinc/12/78/55/357127855.db2.gz JTBUTQWAHLAMEU-UHFFFAOYSA-N 1 0 239.322 2.308 10 0 BEAERO Cc1csc(N[C@](C)(C[NH3+])C(C)C)n1 ZINC000168759196 357220172 /nfs/dbraw/zinc/22/01/72/357220172.db2.gz WZWAUWSOWDEKSB-SNVBAGLBSA-N 1 0 213.350 2.237 10 0 BEAERO Cc1ccc2c(C)cc(NCC[NH3+])nc2c1 ZINC000212070453 357223024 /nfs/dbraw/zinc/22/30/24/357223024.db2.gz QFQGESCDMAOJLV-UHFFFAOYSA-N 1 0 215.300 2.222 10 0 BEAERO CC1(C)C[NH2+]C[C@H](c2cccs2)OC1 ZINC000168779910 357229300 /nfs/dbraw/zinc/22/93/00/357229300.db2.gz UBWMGWHIMYKCGJ-SECBINFHSA-N 1 0 211.330 2.435 10 0 BEAERO Cc1cc([C@@]2(O)CCC[NH2+]CC2)cs1 ZINC000160703294 357183621 /nfs/dbraw/zinc/18/36/21/357183621.db2.gz FMMSFXOWALEVPX-LLVKDONJSA-N 1 0 211.330 2.018 10 0 BEAERO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000393739511 357295352 /nfs/dbraw/zinc/29/53/52/357295352.db2.gz UEVHTCRELJCSLI-IJLUTSLNSA-N 1 0 213.365 2.419 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(Br)cn1 ZINC000130094908 357280397 /nfs/dbraw/zinc/28/03/97/357280397.db2.gz KAFIEWCXBYAHGW-CBAPKCEASA-N 1 0 241.132 2.167 10 0 BEAERO O[C@H](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000393947014 357321064 /nfs/dbraw/zinc/32/10/64/357321064.db2.gz SBOGQPPDCFLAAE-QCLAVDOMSA-N 1 0 237.265 2.078 10 0 BEAERO [NH3+][C@H](COC(F)(F)F)Cc1ccccc1 ZINC000238580875 357345704 /nfs/dbraw/zinc/34/57/04/357345704.db2.gz SIQWOVGPGBJKGY-VIFPVBQESA-N 1 0 219.206 2.093 10 0 BEAERO CC[C@](C)([C@H](N)c1ccccc1)[NH+](C)C ZINC000085745444 357400750 /nfs/dbraw/zinc/40/07/50/357400750.db2.gz NLNPTDUECXXCML-CHWSQXEVSA-N 1 0 206.333 2.417 10 0 BEAERO Cc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2O)cn1 ZINC000397036398 357486909 /nfs/dbraw/zinc/48/69/09/357486909.db2.gz SCVYSUYDEFYZKY-ZIAGYGMSSA-N 1 0 234.343 2.092 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2CCC[C@H]2C)cnn1C ZINC000230665005 357546749 /nfs/dbraw/zinc/54/67/49/357546749.db2.gz XXUWQQQLBKUQPX-ZYHUDNBSSA-N 1 0 221.348 2.254 10 0 BEAERO CSCCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000085697060 357554578 /nfs/dbraw/zinc/55/45/78/357554578.db2.gz QKKJJDPGHJXLNK-CHWSQXEVSA-N 1 0 242.432 2.298 10 0 BEAERO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)O1 ZINC000188576102 357562962 /nfs/dbraw/zinc/56/29/62/357562962.db2.gz GRUVHJDPCXUKDL-KWCYVHTRSA-N 1 0 249.358 2.125 10 0 BEAERO C[C@@H]1C(=O)NCCC[N@H+]1CC1CCCCCC1 ZINC000189072391 357603468 /nfs/dbraw/zinc/60/34/68/357603468.db2.gz XSRKDDJBQURWLQ-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCOCC2)o1 ZINC000231529600 357609378 /nfs/dbraw/zinc/60/93/78/357609378.db2.gz GNMRSSVPNANCOB-WDEREUQCSA-N 1 0 224.304 2.203 10 0 BEAERO CC(C)(C)C(=O)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 ZINC000229125634 538881436 /nfs/dbraw/zinc/88/14/36/538881436.db2.gz RISRJIZNDBWPHR-VWYCJHECSA-N 1 0 209.333 2.380 10 0 BEAERO CCC1(C)CC[NH+]([C@@H]2CCNC[C@@H]2F)CC1 ZINC000685948675 538891023 /nfs/dbraw/zinc/89/10/23/538891023.db2.gz SVDTUHWELQOJEN-NWDGAFQWSA-N 1 0 228.355 2.199 10 0 BEAERO C[C@@H](COCc1ccccc1)Cn1cc[nH+]c1N ZINC000685951056 538894627 /nfs/dbraw/zinc/89/46/27/538894627.db2.gz FILJFZQDLRMRBV-GFCCVEGCSA-N 1 0 245.326 2.318 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)C1CCCCC1 ZINC000190596562 357712081 /nfs/dbraw/zinc/71/20/81/357712081.db2.gz WLAAGZQFIARUNZ-BZPMIXESSA-N 1 0 241.375 2.037 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000233416451 357723087 /nfs/dbraw/zinc/72/30/87/357723087.db2.gz CAMPTHSADHRBGJ-JQWIXIFHSA-N 1 0 236.363 2.311 10 0 BEAERO CC(C)Oc1cc(C2CC[NH+](C)CC2)ncc1N ZINC000215976615 357680851 /nfs/dbraw/zinc/68/08/51/357680851.db2.gz DFONSRBKCLQCSF-UHFFFAOYSA-N 1 0 249.358 2.260 10 0 BEAERO CC1(C)C[C@H]1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000232786055 357683966 /nfs/dbraw/zinc/68/39/66/357683966.db2.gz YEMXXULLEAECRR-LBPRGKRZSA-N 1 0 244.338 2.317 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]CCC=C(C)C ZINC000397783320 357691717 /nfs/dbraw/zinc/69/17/17/357691717.db2.gz PLFBKAHCRGYLKM-ZDUSSCGKSA-N 1 0 229.364 2.110 10 0 BEAERO Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C)C1 ZINC000050577321 357737645 /nfs/dbraw/zinc/73/76/45/357737645.db2.gz VBZFAFOXZXHGSL-AWEZNQCLSA-N 1 0 236.334 2.318 10 0 BEAERO Cc1c[nH+]ccc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC000192602054 357846253 /nfs/dbraw/zinc/84/62/53/357846253.db2.gz CPGHOOVAYOQKAI-GFCCVEGCSA-N 1 0 242.326 2.117 10 0 BEAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn[nH]1 ZINC000398359081 357884375 /nfs/dbraw/zinc/88/43/75/357884375.db2.gz ISRBCLKHYZCBGF-BDAKNGLRSA-N 1 0 248.252 2.015 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000639937912 357940827 /nfs/dbraw/zinc/94/08/27/357940827.db2.gz GJEVDLJFSKJTLK-GMTAPVOTSA-N 1 0 233.302 2.267 10 0 BEAERO Cc1cccc(OCC[N@H+]2CC[C@@H](O)C[C@H]2C)c1 ZINC000639940762 357956309 /nfs/dbraw/zinc/95/63/09/357956309.db2.gz OXAPVVOIZTWPFJ-ZIAGYGMSSA-N 1 0 249.354 2.219 10 0 BEAERO [NH3+]CC1(CNc2nccs2)CCCC1 ZINC000168940724 358001159 /nfs/dbraw/zinc/00/11/59/358001159.db2.gz ZFESFDZUQWZMOS-UHFFFAOYSA-N 1 0 211.334 2.074 10 0 BEAERO Clc1ccc([C@H]2C[NH2+]CCCO2)s1 ZINC000035598664 358002605 /nfs/dbraw/zinc/00/26/05/358002605.db2.gz DZWIHLKHXNFEPS-SSDOTTSWSA-N 1 0 217.721 2.453 10 0 BEAERO CCCC[N@H+](C)C[C@H](O)c1ccc(N)cc1 ZINC000001851891 168776774 /nfs/dbraw/zinc/77/67/74/168776774.db2.gz CYNMTUUSCSJXOX-ZDUSSCGKSA-N 1 0 222.332 2.034 10 0 BEAERO CCCC[C@H](CC)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392873126 259477713 /nfs/dbraw/zinc/47/77/13/259477713.db2.gz FJRNMEODOLIZED-AVGNSLFASA-N 1 0 240.391 2.460 10 0 BEAERO O=C1Nc2ccccc2[C@@H]1CC1CC[NH2+]CC1 ZINC000106975465 363597552 /nfs/dbraw/zinc/59/75/52/363597552.db2.gz NJIGDOCPBIUAGA-LBPRGKRZSA-N 1 0 230.311 2.112 10 0 BEAERO C[NH2+][C@@H](Cc1ccc(C)cc1)[C@H]1CCCO1 ZINC000038136127 358116953 /nfs/dbraw/zinc/11/69/53/358116953.db2.gz VJTLOERYAWCJKX-UONOGXRCSA-N 1 0 219.328 2.305 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000392867397 259477861 /nfs/dbraw/zinc/47/78/61/259477861.db2.gz NTYQOZGBTLJTHR-SRVKXCTJSA-N 1 0 238.375 2.212 10 0 BEAERO CCc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000052202917 358147851 /nfs/dbraw/zinc/14/78/51/358147851.db2.gz JXDDOQPUJDAJNX-UHFFFAOYSA-N 1 0 215.300 2.262 10 0 BEAERO O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1Cc3ccccc31)C2 ZINC000640075789 358172956 /nfs/dbraw/zinc/17/29/56/358172956.db2.gz HXTHJZHXECKREC-RZFFKMDDSA-N 1 0 243.350 2.172 10 0 BEAERO Cn1cc([C@H]2CC[N@H+](C[Si](C)(C)C)C2)cn1 ZINC000172051963 134264760 /nfs/dbraw/zinc/26/47/60/134264760.db2.gz PBYOUQMBKJBCNY-NSHDSACASA-N 1 0 237.423 2.087 10 0 BEAERO C[NH+]1CCC(n2ccc3ccc(N)cc32)CC1 ZINC000039111117 358220582 /nfs/dbraw/zinc/22/05/82/358220582.db2.gz CFJSTCSYECXWIB-UHFFFAOYSA-N 1 0 229.327 2.490 10 0 BEAERO Cc1ccc(C)c2c1OC[C@H]([C@H](C)[NH+](C)C)O2 ZINC000584615051 358279308 /nfs/dbraw/zinc/27/93/08/358279308.db2.gz IOCBSRRBFCLPNI-NWDGAFQWSA-N 1 0 235.327 2.393 10 0 BEAERO [NH3+]C[C@@H]1CSC(SCc2ccccc2)=N1 ZINC000584610416 358273028 /nfs/dbraw/zinc/27/30/28/358273028.db2.gz YZOGTSKLJGNIDT-SNVBAGLBSA-N 1 0 238.381 2.350 10 0 BEAERO C[N@@H+]1CC[C@@H]([C@@]2(O)CCCc3ccccc32)C1 ZINC000584620325 358287612 /nfs/dbraw/zinc/28/76/12/358287612.db2.gz AAWPKDIOJDKYEX-HIFRSBDPSA-N 1 0 231.339 2.162 10 0 BEAERO C[NH+](C)[C@H](Cc1ccccc1)[C@@H]1CCCO1 ZINC000584625403 358294141 /nfs/dbraw/zinc/29/41/41/358294141.db2.gz OBINUSWGLHKRHV-KGLIPLIRSA-N 1 0 219.328 2.338 10 0 BEAERO c1ccc(N2CSCCSC2)nc1 ZINC000584630874 358301839 /nfs/dbraw/zinc/30/18/39/358301839.db2.gz ZZBXKKANKMTZEH-UHFFFAOYSA-N 1 0 212.343 2.283 10 0 BEAERO C[C@H]1Cn2ncc(-c3ccc(F)cc3F)c2C[NH2+]1 ZINC000584648267 358302891 /nfs/dbraw/zinc/30/28/91/358302891.db2.gz FFCZJRFUQVSEBX-QMMMGPOBSA-N 1 0 249.264 2.320 10 0 BEAERO NCC[N@@H+]1CCC2(C1)C1CC3CC(C1)CC2C3 ZINC000584650402 358305076 /nfs/dbraw/zinc/30/50/76/358305076.db2.gz HZRVQVKUEVWAQN-UHFFFAOYSA-N 1 0 234.387 2.093 10 0 BEAERO C(CC1CCCCC1)OCC1=[NH+]CCCN1 ZINC000584650958 358305719 /nfs/dbraw/zinc/30/57/19/358305719.db2.gz ZZWFREMFCHXLMP-UHFFFAOYSA-N 1 0 224.348 2.365 10 0 BEAERO CC[C@@](C)(O)c1cc([C@@H]2CC[C@@H](C)[NH2+]C2)no1 ZINC000584638645 358324553 /nfs/dbraw/zinc/32/45/53/358324553.db2.gz JPKREHJZJWPNSV-GIPNMCIBSA-N 1 0 238.331 2.148 10 0 BEAERO C[NH2+]Cc1c(CO)ccc2ccccc21 ZINC000584641097 358327155 /nfs/dbraw/zinc/32/71/55/358327155.db2.gz CISQUEKVBHQXOX-UHFFFAOYSA-N 1 0 201.269 2.052 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1cnc2ccccc2n1 ZINC000228271110 358372178 /nfs/dbraw/zinc/37/21/78/358372178.db2.gz MMCKYWFXFHPRAZ-UWVGGRQHSA-N 1 0 230.315 2.168 10 0 BEAERO O[C@@]1(c2ccccc2)CC[N@@H+]2CCCC[C@H]21 ZINC000228264637 358372422 /nfs/dbraw/zinc/37/24/22/358372422.db2.gz FNWWHWQXQXMXME-UONOGXRCSA-N 1 0 217.312 2.132 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC000227804183 358363823 /nfs/dbraw/zinc/36/38/23/358363823.db2.gz MBCSAIRGXAMVEJ-GARJFASQSA-N 1 0 226.364 2.007 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](C)C(C)C ZINC000227893242 358365487 /nfs/dbraw/zinc/36/54/87/358365487.db2.gz FSLPSSFZOCWQBZ-CHWSQXEVSA-N 1 0 231.380 2.046 10 0 BEAERO CCN(CC)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043595895 358383697 /nfs/dbraw/zinc/38/36/97/358383697.db2.gz UBXTZNJBPNHZMM-AWEZNQCLSA-N 1 0 218.344 2.215 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CCCCC1 ZINC000392931353 259479979 /nfs/dbraw/zinc/47/99/79/259479979.db2.gz KORGKMYCPOYDEY-DMDPSCGWSA-N 1 0 238.375 2.212 10 0 BEAERO COc1ccccc1NC(=O)C1(C[NH3+])CCCC1 ZINC000044762020 358393097 /nfs/dbraw/zinc/39/30/97/358393097.db2.gz TXXWBWTVUONWSE-UHFFFAOYSA-N 1 0 248.326 2.153 10 0 BEAERO C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000230418792 358399336 /nfs/dbraw/zinc/39/93/36/358399336.db2.gz RGTRECMDUAXLKO-WUHRBBMRSA-N 1 0 211.349 2.316 10 0 BEAERO CSCCn1cc2c(c1)[C@@H]([NH3+])CCC2 ZINC000130145506 358442935 /nfs/dbraw/zinc/44/29/35/358442935.db2.gz OUBQSFQCXNXFCU-NSHDSACASA-N 1 0 210.346 2.187 10 0 BEAERO CCC(C)(CC)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000230958337 358413591 /nfs/dbraw/zinc/41/35/91/358413591.db2.gz HZTLWWMITVEVLW-LLVKDONJSA-N 1 0 226.364 2.071 10 0 BEAERO CC1(C)CCC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000126471424 358550364 /nfs/dbraw/zinc/55/03/64/358550364.db2.gz GNJQMLJETYFFPI-LBPRGKRZSA-N 1 0 236.363 2.227 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000174469788 134281968 /nfs/dbraw/zinc/28/19/68/134281968.db2.gz XKDGKNCRQYLFIJ-QWRGUYRKSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC000042579261 358526983 /nfs/dbraw/zinc/52/69/83/358526983.db2.gz WTWJYJPWGDHOOR-NWDGAFQWSA-N 1 0 221.348 2.479 10 0 BEAERO COCC[C@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000130446746 358626410 /nfs/dbraw/zinc/62/64/10/358626410.db2.gz KQSKHUQJWQXKAY-WDEREUQCSA-N 1 0 243.372 2.105 10 0 BEAERO COc1c(C)cc(C[N@H+](C)C[C@@H](C)O)cc1C ZINC000130655808 358638685 /nfs/dbraw/zinc/63/86/85/358638685.db2.gz UODVTWMSQXDJFA-GFCCVEGCSA-N 1 0 237.343 2.125 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000130873872 358651087 /nfs/dbraw/zinc/65/10/87/358651087.db2.gz GVEROQBXUHZDIB-WDEREUQCSA-N 1 0 236.363 2.310 10 0 BEAERO CCCn1cc(C[N@@H+]2CCS[C@@H](C)C2)cn1 ZINC000131366672 358672690 /nfs/dbraw/zinc/67/26/90/358672690.db2.gz LTBXMBSCFQCZSC-NSHDSACASA-N 1 0 239.388 2.230 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NC(C)(C)CC ZINC000049281877 358679868 /nfs/dbraw/zinc/67/98/68/358679868.db2.gz XWAQTJUDGGSCCL-QWRGUYRKSA-N 1 0 228.380 2.315 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCCN(CC)C2)o1 ZINC000051724675 358759968 /nfs/dbraw/zinc/75/99/68/358759968.db2.gz JUENAXYMLIVDPO-LBPRGKRZSA-N 1 0 236.359 2.416 10 0 BEAERO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000133920294 358772143 /nfs/dbraw/zinc/77/21/43/358772143.db2.gz PJQZNSVOLXNIHG-GHMZBOCLSA-N 1 0 248.305 2.157 10 0 BEAERO CC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000050479006 358730256 /nfs/dbraw/zinc/73/02/56/358730256.db2.gz IHHYPAADWKMNDN-UHFFFAOYSA-N 1 0 201.273 2.186 10 0 BEAERO COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2O)cc1 ZINC000050682892 358734863 /nfs/dbraw/zinc/73/48/63/358734863.db2.gz BOBKZGXFIZXHBY-KBPBESRZSA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134242584 358784155 /nfs/dbraw/zinc/78/41/55/358784155.db2.gz VFJULZNEUVWAFL-DGCLKSJQSA-N 1 0 235.327 2.271 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000134254102 358784602 /nfs/dbraw/zinc/78/46/02/358784602.db2.gz VFUDTDXCOJQDPB-FZMZJTMJSA-N 1 0 249.358 2.265 10 0 BEAERO C[C@@H](CC[NH3+])Nc1cc(C(F)(F)F)ccn1 ZINC000134272755 358785846 /nfs/dbraw/zinc/78/58/46/358785846.db2.gz ZMMSBCVRMJIRQN-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO CC(C)CCOCC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762547 358793660 /nfs/dbraw/zinc/79/36/60/358793660.db2.gz LIKRWIUGCWUAEF-CQSZACIVSA-N 1 0 243.391 2.286 10 0 BEAERO COc1cccc(F)c1[C@@H](C)[NH2+]CC(C)(C)O ZINC000134802568 358806872 /nfs/dbraw/zinc/80/68/72/358806872.db2.gz HPTIQWKNUGZNET-SECBINFHSA-N 1 0 241.306 2.256 10 0 BEAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054080050 358851045 /nfs/dbraw/zinc/85/10/45/358851045.db2.gz ALFCJWAAFPVHNW-RYUDHWBXSA-N 1 0 240.391 2.412 10 0 BEAERO COC(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)OC ZINC000136767806 358886253 /nfs/dbraw/zinc/88/62/53/358886253.db2.gz GADRYUASVGLQKM-AWEZNQCLSA-N 1 0 239.359 2.428 10 0 BEAERO CC[C@](O)(C[NH3+])c1cc(C)ccc1Cl ZINC000306152215 358917933 /nfs/dbraw/zinc/91/79/33/358917933.db2.gz ABSKCSQKSZFENX-NSHDSACASA-N 1 0 213.708 2.205 10 0 BEAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000055927383 358892492 /nfs/dbraw/zinc/89/24/92/358892492.db2.gz GULSGVKALGYWHN-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO CCn1c(C)nnc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177546959 134298921 /nfs/dbraw/zinc/29/89/21/134298921.db2.gz IZTZMHDRQWWYIK-BETUJISGSA-N 1 0 248.374 2.228 10 0 BEAERO CCCC[N@H+](C)CC(=O)NC1CCCCC1 ZINC000057832684 358907121 /nfs/dbraw/zinc/90/71/21/358907121.db2.gz NWNGAZFFSMUKMG-UHFFFAOYSA-N 1 0 226.364 2.167 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](Sc2ncc[nH]2)C1 ZINC000300341274 358967505 /nfs/dbraw/zinc/96/75/05/358967505.db2.gz TYNRQNVKWNGNTK-IWSPIJDZSA-N 1 0 211.334 2.018 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](Sc2ncc[nH]2)C1 ZINC000300341273 358967970 /nfs/dbraw/zinc/96/79/70/358967970.db2.gz TYNRQNVKWNGNTK-HRDYMLBCSA-N 1 0 211.334 2.018 10 0 BEAERO Cc1ccsc1[C@@H]([NH3+])C[C@@H]1CCOC1 ZINC000160860403 358970978 /nfs/dbraw/zinc/97/09/78/358970978.db2.gz KHKFTSNGRCEVDH-UWVGGRQHSA-N 1 0 211.330 2.483 10 0 BEAERO CC[C@@H]1CS[C@@]2(CCS[C@H]2C)[NH2+]1 ZINC000300353230 358971940 /nfs/dbraw/zinc/97/19/40/358971940.db2.gz VGVCEIYONFTCIS-DJLDLDEBSA-N 1 0 203.376 2.323 10 0 BEAERO CS[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000300360396 358976702 /nfs/dbraw/zinc/97/67/02/358976702.db2.gz XYRUZXNBUUGVLT-HBNTYKKESA-N 1 0 215.362 2.039 10 0 BEAERO C1CN2CCCC[C@H]2[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000061576227 358935093 /nfs/dbraw/zinc/93/50/93/358935093.db2.gz KANUHZYSSMSOHQ-AGIUHOORSA-N 1 0 240.416 2.098 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C1CCCCC1 ZINC000177311147 134299568 /nfs/dbraw/zinc/29/95/68/134299568.db2.gz ZAFBGVKMONASGN-YPMHNXCESA-N 1 0 248.374 2.151 10 0 BEAERO [NH3+]C1CCC(F)(c2ccsn2)CC1 ZINC000306158107 358952970 /nfs/dbraw/zinc/95/29/70/358952970.db2.gz DFADTZSOENYYIV-UHFFFAOYSA-N 1 0 200.282 2.209 10 0 BEAERO C[NH2+]C/C(C)=C/c1ccc(Br)cn1 ZINC000130214144 358958865 /nfs/dbraw/zinc/95/88/65/358958865.db2.gz LOKYVMDZSSLYPE-VMPITWQZSA-N 1 0 241.132 2.467 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ncnc2sccc21 ZINC000070010558 359038034 /nfs/dbraw/zinc/03/80/34/359038034.db2.gz PIOKJWAOMDUOGD-SECBINFHSA-N 1 0 236.344 2.087 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ncnc2ccsc21 ZINC000070010475 359038052 /nfs/dbraw/zinc/03/80/52/359038052.db2.gz BGKZFVIPHPNQDK-MRVPVSSYSA-N 1 0 236.344 2.087 10 0 BEAERO C[C@H]1CSC(N[C@H]2CCC(F)(F)C2)=[NH+]1 ZINC000306172334 358981856 /nfs/dbraw/zinc/98/18/56/358981856.db2.gz LFFGDIONWPEWJI-BQBZGAKWSA-N 1 0 220.288 2.255 10 0 BEAERO C[C@@]1([C@@H]([NH3+])c2ccsn2)CCCS1 ZINC000306179921 358991710 /nfs/dbraw/zinc/99/17/10/358991710.db2.gz IYXJRSBOJJVFFN-IUCAKERBSA-N 1 0 214.359 2.429 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@H]1C[C@H]1C ZINC000321952368 259482592 /nfs/dbraw/zinc/48/25/92/259482592.db2.gz XAFPEPKUHQIUCW-NDBYEHHHSA-N 1 0 210.365 2.105 10 0 BEAERO COCCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246471318 359111205 /nfs/dbraw/zinc/11/12/05/359111205.db2.gz ZWJDXYGWDNBOHP-CHWSQXEVSA-N 1 0 227.348 2.056 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ccc(C(F)(F)F)cn1 ZINC000070463588 359056890 /nfs/dbraw/zinc/05/68/90/359056890.db2.gz AOQJSBDSDRJVTR-SECBINFHSA-N 1 0 247.264 2.496 10 0 BEAERO O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000247008998 359182815 /nfs/dbraw/zinc/18/28/15/359182815.db2.gz RUXWAEPQWFTMFY-NWDGAFQWSA-N 1 0 249.310 2.370 10 0 BEAERO C[C@H]1[C@@H]([NH3+])CCCN1CC=C(Cl)Cl ZINC000403452174 359138644 /nfs/dbraw/zinc/13/86/44/359138644.db2.gz GGNLVJUWFXIUKB-YUMQZZPRSA-N 1 0 223.147 2.117 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000246726815 359160329 /nfs/dbraw/zinc/16/03/29/359160329.db2.gz AJFOQEDAKZSYLT-GXTWGEPZSA-N 1 0 246.354 2.145 10 0 BEAERO CCCC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000248146681 359255803 /nfs/dbraw/zinc/25/58/03/359255803.db2.gz QFYXMFFOVBJMRB-BFHYXJOUSA-N 1 0 243.391 2.332 10 0 BEAERO CCCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247444451 359220829 /nfs/dbraw/zinc/22/08/29/359220829.db2.gz SGIDSTHMMUDVOD-OLZOCXBDSA-N 1 0 240.391 2.412 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1cc(F)cc(Br)c1 ZINC000306214019 359314807 /nfs/dbraw/zinc/31/48/07/359314807.db2.gz XWEICBDMQSPFSJ-IUCAKERBSA-N 1 0 230.080 2.403 10 0 BEAERO CC(C)c1nsc(N(C)CC(C)(C)C[NH3+])n1 ZINC000086638631 359321375 /nfs/dbraw/zinc/32/13/75/359321375.db2.gz AQXNYQCPCRDSAA-UHFFFAOYSA-N 1 0 242.392 2.083 10 0 BEAERO CC(C)(CO)[C@H]([NH3+])c1ccsc1Cl ZINC000306220328 359339942 /nfs/dbraw/zinc/33/99/42/359339942.db2.gz HTENTINAOLDQKT-SSDOTTSWSA-N 1 0 219.737 2.420 10 0 BEAERO C[C@@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)[C@H]1C ZINC000306243978 359426779 /nfs/dbraw/zinc/42/67/79/359426779.db2.gz USNZKVXMMSPNEO-TYNCELHUSA-N 1 0 243.354 2.232 10 0 BEAERO O[C@@H](c1cc(Cl)cc(Cl)c1)C1C[NH2+]C1 ZINC000306245788 359430797 /nfs/dbraw/zinc/43/07/97/359430797.db2.gz ZBUHTMXWARFYSQ-JTQLQIEISA-N 1 0 232.110 2.246 10 0 BEAERO O[C@H](c1cc(Cl)cc(Cl)c1)C1C[NH2+]C1 ZINC000306245789 359430825 /nfs/dbraw/zinc/43/08/25/359430825.db2.gz ZBUHTMXWARFYSQ-SNVBAGLBSA-N 1 0 232.110 2.246 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1ccsc1Cl ZINC000306260381 359478731 /nfs/dbraw/zinc/47/87/31/359478731.db2.gz UIUQRVJYLGHMTQ-RNFRBKRXSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+][C@@H]1CCO[C@H]1c1ccsc1Cl ZINC000306260382 359478766 /nfs/dbraw/zinc/47/87/66/359478766.db2.gz UIUQRVJYLGHMTQ-RQJHMYQMSA-N 1 0 203.694 2.190 10 0 BEAERO C[C@@H]1C[C@@H](C)[NH2+][C@H](C(=O)NCc2ccccc2)C1 ZINC000306278150 359508840 /nfs/dbraw/zinc/50/88/40/359508840.db2.gz VZSUZZDPIAQGDJ-BZPMIXESSA-N 1 0 246.354 2.079 10 0 BEAERO C[C@@H]1C[C@H](C)[NH2+][C@H](C(=O)NCc2ccccc2)C1 ZINC000306278153 359509573 /nfs/dbraw/zinc/50/95/73/359509573.db2.gz VZSUZZDPIAQGDJ-DYEKYZERSA-N 1 0 246.354 2.079 10 0 BEAERO FC(F)(F)[C@H]1CCC[C@@H]1[NH2+]C1CSC1 ZINC000306268743 359490116 /nfs/dbraw/zinc/49/01/16/359490116.db2.gz KARHIILJFOJMIE-YUMQZZPRSA-N 1 0 225.279 2.422 10 0 BEAERO CC1(C)C[N@H+](C[C@@H]2Cc3ccccc32)CC[C@H]1O ZINC000287929393 359538081 /nfs/dbraw/zinc/53/80/81/359538081.db2.gz WPPGNIQAVPPVSA-DZGCQCFKSA-N 1 0 245.366 2.419 10 0 BEAERO C[C@@H]1C[C@@](O)(c2ccsc2Cl)C[N@@H+]1C ZINC000306322763 359606917 /nfs/dbraw/zinc/60/69/17/359606917.db2.gz URDFQSJZHFXOLW-XCBNKYQSSA-N 1 0 231.748 2.313 10 0 BEAERO [NH3+][C@H](c1ncncc1Br)C1CCC1 ZINC000306409699 359799312 /nfs/dbraw/zinc/79/93/12/359799312.db2.gz PQBCNBODOZFCDS-QMMMGPOBSA-N 1 0 242.120 2.039 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087616903 359921248 /nfs/dbraw/zinc/92/12/48/359921248.db2.gz DYCKFETVYLPGLX-FZMZJTMJSA-N 1 0 246.354 2.034 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1csc(Br)c1 ZINC000306433176 359939247 /nfs/dbraw/zinc/93/92/47/359939247.db2.gz WANVCRUGJAWXAD-NTSWFWBYSA-N 1 0 218.119 2.325 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000088521616 359964045 /nfs/dbraw/zinc/96/40/45/359964045.db2.gz GVHMQPUXGXLECV-LBPRGKRZSA-N 1 0 210.365 2.203 10 0 BEAERO C[C@@H]1C[NH2+][C@H]([C@H]2CCCSC2)S1 ZINC000306448745 360015894 /nfs/dbraw/zinc/01/58/94/360015894.db2.gz JORGHSWCVDBLQS-VGMNWLOBSA-N 1 0 203.376 2.181 10 0 BEAERO CSC1([C@@H]2[NH2+]CC[C@@H](C)S2)CC1 ZINC000306449734 360018440 /nfs/dbraw/zinc/01/84/40/360018440.db2.gz NIWLOMCLCKRVLG-HTQZYQBOSA-N 1 0 203.376 2.323 10 0 BEAERO Cc1cc(C)cc(C[NH+]2CC(O)(C3CC3)C2)c1 ZINC000089679215 360033458 /nfs/dbraw/zinc/03/34/58/360033458.db2.gz ZCXVIUZAVWFBQA-UHFFFAOYSA-N 1 0 231.339 2.260 10 0 BEAERO Cc1c(C[NH2+][C@@H](C)CC(F)(F)F)cnn1C ZINC000090887891 360093854 /nfs/dbraw/zinc/09/38/54/360093854.db2.gz UVEYFDYQUFRALJ-ZETCQYMHSA-N 1 0 235.253 2.159 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C(C)C ZINC000090227535 360066885 /nfs/dbraw/zinc/06/68/85/360066885.db2.gz UQEDXUHMBMSQKG-KOLCDFICSA-N 1 0 222.336 2.056 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C1CCC1 ZINC000090227134 360067311 /nfs/dbraw/zinc/06/73/11/360067311.db2.gz KOJUOGQFIDNDLE-CABZTGNLSA-N 1 0 234.347 2.200 10 0 BEAERO CC[C@@H]1CCC[C@@H](C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000169284841 360070150 /nfs/dbraw/zinc/07/01/50/360070150.db2.gz IKTDLBOEDBIVOA-IJLUTSLNSA-N 1 0 209.333 2.381 10 0 BEAERO C[C@H]1C[N@H+](C)C[C@@H]1Nc1ncc(Cl)s1 ZINC000306466074 360079880 /nfs/dbraw/zinc/07/98/80/360079880.db2.gz KHFPBAMUVZSYIL-BQBZGAKWSA-N 1 0 231.752 2.159 10 0 BEAERO C[C@@H]1C[C@H](C)O[C@@](C)(C(F)(F)F)C[NH2+]1 ZINC000306469138 360084114 /nfs/dbraw/zinc/08/41/14/360084114.db2.gz OWCAKYPGMBGYDK-GJMOJQLCSA-N 1 0 211.227 2.094 10 0 BEAERO CCC[C@H](C(=O)Nc1ccc(C)nc1)[NH+](C)C ZINC000092765580 360196526 /nfs/dbraw/zinc/19/65/26/360196526.db2.gz IXQHTEAKLWKYTA-GFCCVEGCSA-N 1 0 235.331 2.059 10 0 BEAERO c1ncn(C2CC[NH+](C[C@H]3CC=CCC3)CC2)n1 ZINC000092647640 360187846 /nfs/dbraw/zinc/18/78/46/360187846.db2.gz UWFDENVMRHKGQJ-ZDUSSCGKSA-N 1 0 246.358 2.271 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000093066664 360213523 /nfs/dbraw/zinc/21/35/23/360213523.db2.gz IEOQKEFEHSHTPG-JQWIXIFHSA-N 1 0 221.348 2.142 10 0 BEAERO C[C@@H]1C[C@H](C)N(C(=[NH2+])NCc2ccccc2)C1 ZINC000306501021 360296090 /nfs/dbraw/zinc/29/60/90/360296090.db2.gz ZKYNOAVNIJKLMI-NEPJUHHUSA-N 1 0 231.343 2.441 10 0 BEAERO C[NH2+]C[C@H](C)CCOCc1ccccc1 ZINC000306514682 360338075 /nfs/dbraw/zinc/33/80/75/360338075.db2.gz ASSLSYGSPYCSIC-GFCCVEGCSA-N 1 0 207.317 2.449 10 0 BEAERO C[NH2+]Cc1cc(F)c(F)cc1Br ZINC000306518185 360345772 /nfs/dbraw/zinc/34/57/72/360345772.db2.gz BEXJTMUTUUBFJL-UHFFFAOYSA-N 1 0 236.059 2.447 10 0 BEAERO C[C@H](CCC[NH3+])Nc1cnc2ccccc2n1 ZINC000094948105 360328413 /nfs/dbraw/zinc/32/84/13/360328413.db2.gz DQCFYBQZNRUISU-SNVBAGLBSA-N 1 0 230.315 2.169 10 0 BEAERO Cc1cc(NC(N)=[NH2+])c(F)cc1Br ZINC000306529200 360379431 /nfs/dbraw/zinc/37/94/31/360379431.db2.gz IBHKHTWOJWKELX-UHFFFAOYSA-N 1 0 246.083 2.202 10 0 BEAERO C[C@@H]1CCN(C(=[NH2+])NCc2ccccc2)[C@H]1C ZINC000306565141 360443358 /nfs/dbraw/zinc/44/33/58/360443358.db2.gz XJMSFMLDDWNNIR-NEPJUHHUSA-N 1 0 231.343 2.441 10 0 BEAERO C[C@@H]1[C@@H](C)CCN1C(=[NH2+])NCc1ccccc1 ZINC000306565142 360443749 /nfs/dbraw/zinc/44/37/49/360443749.db2.gz XJMSFMLDDWNNIR-NWDGAFQWSA-N 1 0 231.343 2.441 10 0 BEAERO FCCCNC1=[NH+][C@@H]2CCC[C@H]2CS1 ZINC000306545831 360414494 /nfs/dbraw/zinc/41/44/94/360414494.db2.gz WDSIOFDOKRRNEU-DTWKUNHWSA-N 1 0 216.325 2.207 10 0 BEAERO Cc1nnsc1CC1([NH3+])CCCCC1 ZINC000306551722 360425627 /nfs/dbraw/zinc/42/56/27/360425627.db2.gz APDGREDQZAMXCM-UHFFFAOYSA-N 1 0 211.334 2.051 10 0 BEAERO C[C@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)CCS1 ZINC000306554020 360427876 /nfs/dbraw/zinc/42/78/76/360427876.db2.gz LGVMQWATXCWADS-WDEREUQCSA-N 1 0 227.373 2.326 10 0 BEAERO C[C@H]1C[NH2+]CC[C@@H]1C(=O)CC1=CCCC1 ZINC000306581988 360479865 /nfs/dbraw/zinc/47/98/65/360479865.db2.gz OZOHMYSASYLZCX-JQWIXIFHSA-N 1 0 207.317 2.302 10 0 BEAERO C[C@H]1C[C@@H](NC(=[NH2+])C(C)(C)C)CS1 ZINC000306588006 360492511 /nfs/dbraw/zinc/49/25/11/360492511.db2.gz SSJMKTJHRNEJAG-JGVFFNPUSA-N 1 0 200.351 2.493 10 0 BEAERO C[C@](O)(C[NH3+])c1c(Cl)cccc1Cl ZINC000306577807 360466241 /nfs/dbraw/zinc/46/62/41/360466241.db2.gz LRIVMWAMUREXLQ-VIFPVBQESA-N 1 0 220.099 2.160 10 0 BEAERO CC[C@@]1(C)C[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306576595 360466665 /nfs/dbraw/zinc/46/66/65/360466665.db2.gz KNCGTKTWHVAJGY-OCCSQVGLSA-N 1 0 231.343 2.489 10 0 BEAERO [NH3+][C@@H](CO)c1cc(Cl)sc1Cl ZINC000306598418 360518883 /nfs/dbraw/zinc/51/88/83/360518883.db2.gz XPKNIRMWWUDDGK-BYPYZUCNSA-N 1 0 212.101 2.047 10 0 BEAERO CC[N@H+]1C[C@H](Nc2ncccc2Cl)[C@@H](C)C1 ZINC000309483175 491149580 /nfs/dbraw/zinc/14/95/80/491149580.db2.gz UITQATLUZDSSCK-ONGXEEELSA-N 1 0 239.750 2.487 10 0 BEAERO CCCN1CC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799984 360558929 /nfs/dbraw/zinc/55/89/29/360558929.db2.gz UJVFXUJJPZMMKH-MNOVXSKESA-N 1 0 210.346 2.232 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000309608713 491152300 /nfs/dbraw/zinc/15/23/00/491152300.db2.gz YTCZMSJAXOJHNH-GXTWGEPZSA-N 1 0 217.312 2.034 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CS1 ZINC000309608638 491152332 /nfs/dbraw/zinc/15/23/32/491152332.db2.gz LZWMGHSKVKNDSL-XQHKEYJVSA-N 1 0 243.416 2.410 10 0 BEAERO CCCC[C@@H](COC)[NH2+]C[C@H](O)C(C)(C)C ZINC000164073986 200724560 /nfs/dbraw/zinc/72/45/60/200724560.db2.gz LJOCLOMHPVBIKF-RYUDHWBXSA-N 1 0 231.380 2.188 10 0 BEAERO C[C@@H]1C[NH+]([C@@H]2CCCCC2=O)C[C@@H](C)S1 ZINC000069908930 361015169 /nfs/dbraw/zinc/01/51/69/361015169.db2.gz ADQRJWPNYLXASP-GMTAPVOTSA-N 1 0 227.373 2.324 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000309666635 491154118 /nfs/dbraw/zinc/15/41/18/491154118.db2.gz ICQWCLWYXYEVAE-QWHCGFSZSA-N 1 0 221.348 2.216 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCSC1)c1ccn(C)c1 ZINC000306613532 361084772 /nfs/dbraw/zinc/08/47/72/361084772.db2.gz KQDUDRLQLKYZMP-GXSJLCMTSA-N 1 0 210.346 2.181 10 0 BEAERO [NH3+]C1(C(=O)N2C[C@@H]3CCCCC[C@@H]32)CCCC1 ZINC000368396564 181324596 /nfs/dbraw/zinc/32/45/96/181324596.db2.gz DTQZMGPBTWRYNC-RYUDHWBXSA-N 1 0 236.359 2.049 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000306617399 361173530 /nfs/dbraw/zinc/17/35/30/361173530.db2.gz QOGZDRMAFHGVOT-DTWKUNHWSA-N 1 0 211.334 2.206 10 0 BEAERO [NH3+]C/C(=C\Br)c1ccc(O)cc1 ZINC000026577912 181325048 /nfs/dbraw/zinc/32/50/48/181325048.db2.gz SWLIUSULZFOYAN-VMPITWQZSA-N 1 0 228.089 2.087 10 0 BEAERO CC1CCC(C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631216595 361165712 /nfs/dbraw/zinc/16/57/12/361165712.db2.gz PNYCYJPHIWVHBM-ILDUYXDCSA-N 1 0 235.318 2.418 10 0 BEAERO Cc1cc(CC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cs1 ZINC000306635905 361385328 /nfs/dbraw/zinc/38/53/28/361385328.db2.gz ANTUWIJQMUQLSE-GHMZBOCLSA-N 1 0 223.341 2.296 10 0 BEAERO [NH3+]C1(Cc2cccc(Br)c2)CC1 ZINC000054404927 181332889 /nfs/dbraw/zinc/33/28/89/181332889.db2.gz NAJJFMXXLLMATA-UHFFFAOYSA-N 1 0 226.117 2.483 10 0 BEAERO [NH3+]C1(c2nc(-c3ccco3)no2)CCCC1 ZINC000054445328 181335736 /nfs/dbraw/zinc/33/57/36/181335736.db2.gz QVDGQXNDYQWTNW-UHFFFAOYSA-N 1 0 219.244 2.058 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CC)C1CCC1 ZINC000434543305 201226106 /nfs/dbraw/zinc/22/61/06/201226106.db2.gz QEJRVMCWECUPAQ-ZDUSSCGKSA-N 1 0 229.364 2.038 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000310003509 491159006 /nfs/dbraw/zinc/15/90/06/491159006.db2.gz FPSCYWLDOOGMGI-NTZNESFSSA-N 1 0 226.364 2.022 10 0 BEAERO [NH2+]=C1N[C@H](Cc2c[nH]c3ccccc23)CS1 ZINC000031573119 181339502 /nfs/dbraw/zinc/33/95/02/181339502.db2.gz HPRYYZRCAOOUFJ-SECBINFHSA-N 1 0 231.324 2.141 10 0 BEAERO CCn1nccc1-c1ccc(C[NH3+])s1 ZINC000070601157 361583835 /nfs/dbraw/zinc/58/38/35/361583835.db2.gz QOBITOCUWQKFEQ-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO [NH3+]C1CC(NC(=O)c2csc3ccccc23)C1 ZINC000042891923 181340184 /nfs/dbraw/zinc/34/01/84/181340184.db2.gz CCGJYHZWXHIFJD-UHFFFAOYSA-N 1 0 246.335 2.121 10 0 BEAERO CC(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000153667572 201244604 /nfs/dbraw/zinc/24/46/04/201244604.db2.gz UPDGLHHSXCTRPC-STQMWFEESA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+]C1CCC([S@](=O)Cc2ccccc2)CC1 ZINC000055144813 181342257 /nfs/dbraw/zinc/34/22/57/181342257.db2.gz ZUPSMLZQBVPRSV-ZUEPYMLJSA-N 1 0 237.368 2.205 10 0 BEAERO [NH3+]C1CCC(c2nc3ncccc3o2)CC1 ZINC000082536105 181342637 /nfs/dbraw/zinc/34/26/37/181342637.db2.gz JYEJMGAYIKDRAN-UHFFFAOYSA-N 1 0 217.272 2.208 10 0 BEAERO [NH3+]C[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000070627281 361680367 /nfs/dbraw/zinc/68/03/67/361680367.db2.gz IDMDGRJUQKBFCT-MWLCHTKSSA-N 1 0 211.692 2.376 10 0 BEAERO C(SC1CCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000070649839 361696094 /nfs/dbraw/zinc/69/60/94/361696094.db2.gz ACQVLHFWTSVXRR-JTQLQIEISA-N 1 0 215.362 2.041 10 0 BEAERO CC1(C)CCC(=O)[C@@H](C[NH+]2CCCC2)C1 ZINC000070655042 361697582 /nfs/dbraw/zinc/69/75/82/361697582.db2.gz QJVUQHINKPGSPB-LLVKDONJSA-N 1 0 209.333 2.478 10 0 BEAERO NC(=S)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000070663025 361708358 /nfs/dbraw/zinc/70/83/58/361708358.db2.gz WFXITQXCXCPTEM-GFCCVEGCSA-N 1 0 234.368 2.327 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc(C)c1O ZINC000037166336 361712040 /nfs/dbraw/zinc/71/20/40/361712040.db2.gz WWIDOVUETRUOAH-ZIAGYGMSSA-N 1 0 249.354 2.402 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cc(C)c1O ZINC000037166335 361712142 /nfs/dbraw/zinc/71/21/42/361712142.db2.gz WWIDOVUETRUOAH-KBPBESRZSA-N 1 0 249.354 2.402 10 0 BEAERO Cc1ccoc1-c1nc(C)c(C[NH3+])s1 ZINC000161254518 363855617 /nfs/dbraw/zinc/85/56/17/363855617.db2.gz VBUNOCGEAYGPQZ-UHFFFAOYSA-N 1 0 208.286 2.479 10 0 BEAERO COC[C@]1(C2CC2)[NH2+]CCc2ccsc21 ZINC000712514795 541307989 /nfs/dbraw/zinc/30/79/89/541307989.db2.gz HCWICHDLUHCMNV-GFCCVEGCSA-N 1 0 223.341 2.146 10 0 BEAERO CO[C@H]1C[N@H+](CCCC(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000630363203 364082097 /nfs/dbraw/zinc/08/20/97/364082097.db2.gz CHUBXTDQCCWCRN-OCCSQVGLSA-N 1 0 242.407 2.251 10 0 BEAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1cccs1 ZINC000037480191 364063859 /nfs/dbraw/zinc/06/38/59/364063859.db2.gz AZRHXRXTMFZFHL-JTQLQIEISA-N 1 0 240.372 2.313 10 0 BEAERO CO[C@@H]1CN(CCCC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630366430 364086499 /nfs/dbraw/zinc/08/64/99/364086499.db2.gz KLHDANVAOUYKBX-KBPBESRZSA-N 1 0 240.391 2.005 10 0 BEAERO Cc1cc(C(C)C)nc(NCC2([NH3+])CCCC2)n1 ZINC000630517615 364203316 /nfs/dbraw/zinc/20/33/16/364203316.db2.gz UFERQFJYWPTDGQ-UHFFFAOYSA-N 1 0 248.374 2.014 10 0 BEAERO C[C@@H]1CC[C@H](N=c2[nH]c3ccccc3s2)C[NH2+]1 ZINC000630532055 364220427 /nfs/dbraw/zinc/22/04/27/364220427.db2.gz FIXYRHREXIVSJA-ZJUUUORDSA-N 1 0 247.367 2.271 10 0 BEAERO Cc1cc2ccccc2nc1N[C@@H]1CC[NH2+][C@H]1C ZINC000630546116 364241346 /nfs/dbraw/zinc/24/13/46/364241346.db2.gz SHTVDEUTDSCROY-WCQYABFASA-N 1 0 241.338 2.127 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncc(Cl)cc1F ZINC000630545629 364241371 /nfs/dbraw/zinc/24/13/71/364241371.db2.gz LYBPOZKMENAPKB-IMTBSYHQSA-N 1 0 229.686 2.036 10 0 BEAERO Cc1cccc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630549612 364243585 /nfs/dbraw/zinc/24/35/85/364243585.db2.gz LVRKUSJHGXYPFW-LBPRGKRZSA-N 1 0 219.332 2.098 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(F)cn2)CC1 ZINC000630556269 364251970 /nfs/dbraw/zinc/25/19/70/364251970.db2.gz DHQCEEWLPCMTBU-HOMQSWHASA-N 1 0 223.295 2.150 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccncc2Cl)CC1 ZINC000630557690 364255526 /nfs/dbraw/zinc/25/55/26/364255526.db2.gz SDNNUBYDWIFWMI-MGCOHNPYSA-N 1 0 239.750 2.086 10 0 BEAERO Cc1cc(C)nc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630557256 364258847 /nfs/dbraw/zinc/25/88/47/364258847.db2.gz OAQCAZWTMCLCOE-HAQNSBGRSA-N 1 0 234.347 2.023 10 0 BEAERO NCC1([N@@H+]2CCCSCC2)CCCCC1 ZINC000042443596 181359993 /nfs/dbraw/zinc/35/99/93/181359993.db2.gz OPVGVOPVGOFJRD-UHFFFAOYSA-N 1 0 228.405 2.087 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ccc3ccccc3n2)C[NH2+]1 ZINC000630534838 364229560 /nfs/dbraw/zinc/22/95/60/364229560.db2.gz PJEIWUVYOIBQOE-YPMHNXCESA-N 1 0 241.338 2.209 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ccc3ccccc3n2)C[NH2+]1 ZINC000630534772 364229673 /nfs/dbraw/zinc/22/96/73/364229673.db2.gz PJEIWUVYOIBQOE-DGCLKSJQSA-N 1 0 241.338 2.209 10 0 BEAERO [NH3+]CC1(OC[C@H]2CCCO2)CCCCCC1 ZINC000050493889 181361821 /nfs/dbraw/zinc/36/18/21/181361821.db2.gz VLGYFNFCQPBUHN-GFCCVEGCSA-N 1 0 227.348 2.234 10 0 BEAERO [NH3+]CC1(c2cc(-c3ccccc3)ncn2)CC1 ZINC000095908450 181361607 /nfs/dbraw/zinc/36/16/07/181361607.db2.gz NNUSZLGCMMLRPP-UHFFFAOYSA-N 1 0 225.295 2.134 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000134217220 364394916 /nfs/dbraw/zinc/39/49/16/364394916.db2.gz XDSDBDRLMKCVGO-RKDXNWHRSA-N 1 0 225.254 2.486 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000037655113 364436016 /nfs/dbraw/zinc/43/60/16/364436016.db2.gz NGHNMWJZHQMPQT-XVSSEFHLSA-N 1 0 238.375 2.199 10 0 BEAERO [NH3+]CC1(c2nc3ccccc3[nH]2)CCCC1 ZINC000082968603 181363876 /nfs/dbraw/zinc/36/38/76/181363876.db2.gz JNTLKUNPTBYNDJ-UHFFFAOYSA-N 1 0 215.300 2.333 10 0 BEAERO CC[C@H]1CC[C@H](C)N1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000136182649 364465850 /nfs/dbraw/zinc/46/58/50/364465850.db2.gz CWHNGXMULBGIED-QNWHQSFQSA-N 1 0 238.375 2.164 10 0 BEAERO C[NH+](C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000170868213 364546773 /nfs/dbraw/zinc/54/67/73/364546773.db2.gz DKSSMZLUGUBYSJ-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C)C12CCC2 ZINC000247124841 364618363 /nfs/dbraw/zinc/61/83/63/364618363.db2.gz WGPDCOZKZKQQEV-NOOOWODRSA-N 1 0 209.333 2.332 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000037740109 364573897 /nfs/dbraw/zinc/57/38/97/364573897.db2.gz VFAORCRPVXSXRL-LBPRGKRZSA-N 1 0 226.364 2.056 10 0 BEAERO [NH3+]CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000011755266 181368832 /nfs/dbraw/zinc/36/88/32/181368832.db2.gz NVVGTVWSXWVQFW-UHFFFAOYSA-N 1 0 233.098 2.281 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)C ZINC000252662460 364749560 /nfs/dbraw/zinc/74/95/60/364749560.db2.gz ZIGMPHJZDMKLLL-RYUDHWBXSA-N 1 0 238.375 2.118 10 0 BEAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1C)C(N)=O ZINC000264898276 364721833 /nfs/dbraw/zinc/72/18/33/364721833.db2.gz VGTBPKKMYZCGST-DGCLKSJQSA-N 1 0 234.343 2.218 10 0 BEAERO CC(C)(O)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000296679354 364785383 /nfs/dbraw/zinc/78/53/83/364785383.db2.gz LGYWGXJESVZEBU-LBPRGKRZSA-N 1 0 235.327 2.130 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000328145139 364811850 /nfs/dbraw/zinc/81/18/50/364811850.db2.gz AGKNNKXHZRLTCV-WCQYABFASA-N 1 0 238.400 2.363 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000328145138 364812184 /nfs/dbraw/zinc/81/21/84/364812184.db2.gz AGKNNKXHZRLTCV-DGCLKSJQSA-N 1 0 238.400 2.363 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)CCc2ccco2)C1 ZINC000328205509 364818856 /nfs/dbraw/zinc/81/88/56/364818856.db2.gz TXNPRKVWLQSSHG-STQMWFEESA-N 1 0 236.359 2.285 10 0 BEAERO [NH3+]CCCC(=O)Nc1cccc(-c2cnco2)c1 ZINC000037768108 181373340 /nfs/dbraw/zinc/37/33/40/181373340.db2.gz DVWHIXVPEOPWKO-UHFFFAOYSA-N 1 0 245.282 2.019 10 0 BEAERO [NH3+]CCCC1(C2OCCO2)CCCCC1 ZINC000034452400 181373511 /nfs/dbraw/zinc/37/35/11/181373511.db2.gz BOMJITAMLAALOQ-UHFFFAOYSA-N 1 0 213.321 2.049 10 0 BEAERO [NH3+]CCCC(=O)Nc1ccc(F)cc1Cl ZINC000020595460 181373697 /nfs/dbraw/zinc/37/36/97/181373697.db2.gz QPKWFEHDIXOUSN-UHFFFAOYSA-N 1 0 230.670 2.157 10 0 BEAERO [NH3+]CCCCn1cnc2cc(F)c(F)cc21 ZINC000053530751 181379364 /nfs/dbraw/zinc/37/93/64/181379364.db2.gz FKVRMJHHNTUTTP-UHFFFAOYSA-N 1 0 225.242 2.053 10 0 BEAERO [NH3+]CCCCSc1ccc2c(c1)OCCO2 ZINC000019686467 181378697 /nfs/dbraw/zinc/37/86/97/181378697.db2.gz ZJHDOSGEYNGRDJ-UHFFFAOYSA-N 1 0 239.340 2.289 10 0 BEAERO [NH3+]CCCN(C[C@@H]1CCCO1)c1ccccc1 ZINC000037114717 181379595 /nfs/dbraw/zinc/37/95/95/181379595.db2.gz IKOAJFGHBTVYNE-AWEZNQCLSA-N 1 0 234.343 2.021 10 0 BEAERO [NH3+]CCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000019503375 181381705 /nfs/dbraw/zinc/38/17/05/181381705.db2.gz OUDNYDOPKGNBDL-UHFFFAOYSA-N 1 0 247.125 2.072 10 0 BEAERO [NH3+]CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000037713433 181383307 /nfs/dbraw/zinc/38/33/07/181383307.db2.gz YINKCIYYJCUMQI-CYBMUJFWSA-N 1 0 204.317 2.002 10 0 BEAERO Nc1cccc(Cl)c1SCCC[NH3+] ZINC000041118780 181384244 /nfs/dbraw/zinc/38/42/44/181384244.db2.gz BUBGNKLDBOEYSF-UHFFFAOYSA-N 1 0 216.737 2.363 10 0 BEAERO [NH3+]CCCc1cccc(Br)c1F ZINC000075845655 181386402 /nfs/dbraw/zinc/38/64/02/181386402.db2.gz BILAGMBCRFHBII-UHFFFAOYSA-N 1 0 232.096 2.480 10 0 BEAERO [NH3+]CCCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000054670173 181386415 /nfs/dbraw/zinc/38/64/15/181386415.db2.gz BVHCBONMZQKGER-UHFFFAOYSA-N 1 0 235.718 2.417 10 0 BEAERO [NH3+]CCCc1nc2cccc(Cl)c2o1 ZINC000062525355 181386993 /nfs/dbraw/zinc/38/69/93/181386993.db2.gz QBJMTOGDZVEFBK-UHFFFAOYSA-N 1 0 210.664 2.373 10 0 BEAERO [NH3+]CCN(Cc1ccco1)Cc1cccc(F)c1 ZINC000076633690 181390248 /nfs/dbraw/zinc/39/02/48/181390248.db2.gz FEERGYCDVMFGEF-UHFFFAOYSA-N 1 0 248.301 2.380 10 0 BEAERO [NH3+]CCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000037712954 181396569 /nfs/dbraw/zinc/39/65/69/181396569.db2.gz QDFFIZKJYIFGNO-LBPRGKRZSA-N 1 0 224.735 2.339 10 0 BEAERO [NH3+]CCSc1nccn1CCc1ccccc1 ZINC000057536551 181402770 /nfs/dbraw/zinc/40/27/70/181402770.db2.gz KMESGJFZGXNSRT-UHFFFAOYSA-N 1 0 247.367 2.177 10 0 BEAERO [NH3+]CCNCc1cc(Cl)cc(Cl)c1 ZINC000037713050 181397769 /nfs/dbraw/zinc/39/77/69/181397769.db2.gz CGVLIVFRINDSJU-UHFFFAOYSA-N 1 0 219.115 2.042 10 0 BEAERO [NH3+]CCNc1nccc(-c2ccc(Cl)cc2)n1 ZINC000002538439 181398224 /nfs/dbraw/zinc/39/82/24/181398224.db2.gz ZNFBHTANBYRTNS-UHFFFAOYSA-N 1 0 248.717 2.168 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000442869256 192997712 /nfs/dbraw/zinc/99/77/12/192997712.db2.gz PCSWQWSLIIXSKS-WZRBSPASSA-N 1 0 238.375 2.212 10 0 BEAERO [NH3+]CCSCc1nc2ccccc2o1 ZINC000037035941 181401287 /nfs/dbraw/zinc/40/12/87/181401287.db2.gz RJLBREFBBRPSLA-UHFFFAOYSA-N 1 0 208.286 2.020 10 0 BEAERO [NH3+]CC[C@H](O)Cc1ccc(Cl)cc1Cl ZINC000041262192 181407955 /nfs/dbraw/zinc/40/79/55/181407955.db2.gz QFZHEQWDVICBNG-VIFPVBQESA-N 1 0 234.126 2.246 10 0 BEAERO [NH3+]CCc1c(Cl)nccc1C(F)(F)F ZINC000095768393 181411189 /nfs/dbraw/zinc/41/11/89/181411189.db2.gz CUWCYISCVCRYKM-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]CCc1ccnc(C2CCCCC2)n1 ZINC000054833646 181412810 /nfs/dbraw/zinc/41/28/10/181412810.db2.gz MMGJURGSYIRIKU-UHFFFAOYSA-N 1 0 205.305 2.026 10 0 BEAERO [NH3+]CCc1cnc(C2CCCCC2)nc1 ZINC000054857432 181412862 /nfs/dbraw/zinc/41/28/62/181412862.db2.gz ODKNUGJZLIWXNS-UHFFFAOYSA-N 1 0 205.305 2.026 10 0 BEAERO [NH3+]CCc1csc(OCc2ccccc2)n1 ZINC000083334511 181413185 /nfs/dbraw/zinc/41/31/85/181413185.db2.gz CFFZFNXQAOLSRQ-UHFFFAOYSA-N 1 0 234.324 2.223 10 0 BEAERO [NH3+]CCc1nc(Cl)ccc1C(F)(F)F ZINC000095768228 181413812 /nfs/dbraw/zinc/41/38/12/181413812.db2.gz SUCPUIYGVRLVPA-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]CCc1nccc(C2CCCCC2)n1 ZINC000070951713 181414123 /nfs/dbraw/zinc/41/41/23/181414123.db2.gz GBOPAMJNIUYOOJ-UHFFFAOYSA-N 1 0 205.305 2.026 10 0 BEAERO [NH3+]C[C@@H](Sc1ncccn1)c1cccc(F)c1 ZINC000042974545 181424335 /nfs/dbraw/zinc/42/43/35/181424335.db2.gz YIPSVLIOINTYAP-LLVKDONJSA-N 1 0 249.314 2.408 10 0 BEAERO [NH3+]CCc1c(F)cc(Br)cc1F ZINC000044250050 181411452 /nfs/dbraw/zinc/41/14/52/181411452.db2.gz YYLUGMJNNOAIHB-UHFFFAOYSA-N 1 0 236.059 2.229 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000172859933 365384550 /nfs/dbraw/zinc/38/45/50/365384550.db2.gz LOPFPMXYHWTZJZ-QWRGUYRKSA-N 1 0 236.363 2.227 10 0 BEAERO CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCC[C@@H](C)C2 ZINC000685952991 541497421 /nfs/dbraw/zinc/49/74/21/541497421.db2.gz FEPOCPGCTCWGOI-FRRDWIJNSA-N 1 0 210.365 2.378 10 0 BEAERO CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCC[C@@H](C)C2 ZINC000685952988 541497438 /nfs/dbraw/zinc/49/74/38/541497438.db2.gz FEPOCPGCTCWGOI-AGIUHOORSA-N 1 0 210.365 2.378 10 0 BEAERO CC[C@H](C[NH3+])[C@@H](O)c1occc1Br ZINC000234041476 541511343 /nfs/dbraw/zinc/51/13/43/541511343.db2.gz MZSBZFYAKGUHEP-HTRCEHHLSA-N 1 0 248.120 2.060 10 0 BEAERO CCc1cn2c([nH+]1)NCC[C@H]2c1nccs1 ZINC000234202698 541512056 /nfs/dbraw/zinc/51/20/56/541512056.db2.gz PSWLNDDXXHTQDN-VIFPVBQESA-N 1 0 234.328 2.307 10 0 BEAERO CCc1cn2c([nH+]1)NCC[C@@H]2c1nccs1 ZINC000234200446 541512304 /nfs/dbraw/zinc/51/23/04/541512304.db2.gz PSWLNDDXXHTQDN-SECBINFHSA-N 1 0 234.328 2.307 10 0 BEAERO c1cnc2cc(NC3=[NH+]CCC3)ccc2n1 ZINC000116826959 370841215 /nfs/dbraw/zinc/84/12/15/370841215.db2.gz XYVCWXFENBHDBC-UHFFFAOYSA-N 1 0 212.256 2.234 10 0 BEAERO Cc1c(C[NH2+]CC2CC(C)(C)C2)cnn1C ZINC000381398097 367394050 /nfs/dbraw/zinc/39/40/50/367394050.db2.gz AQMBIKUGRNYXJS-UHFFFAOYSA-N 1 0 221.348 2.254 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000381410009 367396782 /nfs/dbraw/zinc/39/67/82/367396782.db2.gz XOMTWAGMFHMYBX-BDAKNGLRSA-N 1 0 230.315 2.086 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000382458913 367527737 /nfs/dbraw/zinc/52/77/37/367527737.db2.gz STHTXIHBDHXFBY-RKDXNWHRSA-N 1 0 248.355 2.231 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncnc3ccsc32)C1 ZINC000382458911 367527844 /nfs/dbraw/zinc/52/78/44/367527844.db2.gz STHTXIHBDHXFBY-DTWKUNHWSA-N 1 0 248.355 2.231 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000382480158 367529379 /nfs/dbraw/zinc/52/93/79/367529379.db2.gz WFDMVUMEPOLADR-MNOVXSKESA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000382472265 367529689 /nfs/dbraw/zinc/52/96/89/367529689.db2.gz QOOFAECSCCAOQW-WDEREUQCSA-N 1 0 242.326 2.169 10 0 BEAERO CC[C@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000382333975 367509059 /nfs/dbraw/zinc/50/90/59/367509059.db2.gz XJYJFFMEOKMNDS-QNWHQSFQSA-N 1 0 211.349 2.173 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000581595161 367621697 /nfs/dbraw/zinc/62/16/97/367621697.db2.gz SDBAULYHZFCJTH-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO [NH3+]CC[C@@H](Nc1nccc2occc21)C(F)F ZINC000383363393 367616711 /nfs/dbraw/zinc/61/67/11/367616711.db2.gz FBAVVBDXETWYRZ-MRVPVSSYSA-N 1 0 241.241 2.222 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384501091 367693843 /nfs/dbraw/zinc/69/38/43/367693843.db2.gz CKJAHLIZIPEMBT-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1c1cccc(C(F)(F)F)n1 ZINC000385213623 367809184 /nfs/dbraw/zinc/80/91/84/367809184.db2.gz FGAQQNCTPVUAGV-HTQZYQBOSA-N 1 0 245.248 2.026 10 0 BEAERO C[C@H](N(C)C(=O)C[C@@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000385411329 367826173 /nfs/dbraw/zinc/82/61/73/367826173.db2.gz UVOYIOQRWSKNQU-RYUDHWBXSA-N 1 0 238.375 2.023 10 0 BEAERO CC[NH2+][C@H](C)[C@H]1SCCS[C@H]1C ZINC000252719454 367828755 /nfs/dbraw/zinc/82/87/55/367828755.db2.gz HZMKHTZVNRULIO-HRDYMLBCSA-N 1 0 205.392 2.222 10 0 BEAERO COc1cc(C[NH2+][C@@H](C)C(C)C)sn1 ZINC000399186785 367893932 /nfs/dbraw/zinc/89/39/32/367893932.db2.gz VTZQZXACACXAPU-QMMMGPOBSA-N 1 0 214.334 2.286 10 0 BEAERO CC(C)NC(=[NH2+])[C@@H]1SCCS[C@H]1C ZINC000252722446 367894488 /nfs/dbraw/zinc/89/44/88/367894488.db2.gz QOGUZDWVPDCVDZ-JGVFFNPUSA-N 1 0 218.391 2.199 10 0 BEAERO C[C@@H]1C[C@H](C)[C@H](OCC(F)F)[C@@H]([NH3+])C1 ZINC000252725523 367895577 /nfs/dbraw/zinc/89/55/77/367895577.db2.gz MZEOJXQFBNKBRC-VEVYYDQMSA-N 1 0 207.264 2.030 10 0 BEAERO CC(C)(C)c1ccnc(NCC2CC[NH2+]CC2)n1 ZINC000386806020 368023664 /nfs/dbraw/zinc/02/36/64/368023664.db2.gz NFLIVYUXFINRPA-UHFFFAOYSA-N 1 0 248.374 2.186 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1cncc(Br)c1 ZINC000252909773 368164228 /nfs/dbraw/zinc/16/42/28/368164228.db2.gz BAGDBWIIXQNOLM-QUNWWBBNSA-N 1 0 241.132 2.295 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000399512320 368170725 /nfs/dbraw/zinc/17/07/25/368170725.db2.gz LUJJCIBBFTXKJK-MNOVXSKESA-N 1 0 228.380 2.254 10 0 BEAERO C[C@@H]1C[C@@H]1CNC1=[NH+][C@H](C)[C@H](C)CS1 ZINC000252969715 368173358 /nfs/dbraw/zinc/17/33/58/368173358.db2.gz ZHEJXNPEGRNKLF-ZYUZMQFOSA-N 1 0 212.362 2.359 10 0 BEAERO Cc1ccc(F)c(NCCC[NH3+])c1F ZINC000215057153 368144401 /nfs/dbraw/zinc/14/44/01/368144401.db2.gz RQCCRVZEKLWFGQ-UHFFFAOYSA-N 1 0 200.232 2.034 10 0 BEAERO Cc1cc(C(C)C)nc(N2C[C@@H](C)[NH2+]C[C@H]2C)n1 ZINC000253030540 368304037 /nfs/dbraw/zinc/30/40/37/368304037.db2.gz RCPMUFIOIHECJY-VXGBXAGGSA-N 1 0 248.374 2.095 10 0 BEAERO CC(C)CO[C@@H]1C[NH2+]CC[C@H]1c1ccoc1 ZINC000038409949 368326564 /nfs/dbraw/zinc/32/65/64/368326564.db2.gz TWHJDBMNIPWRRW-QWHCGFSZSA-N 1 0 223.316 2.398 10 0 BEAERO O[C@@H]1CCc2ccccc2[C@H]1[NH+]1CCCC1 ZINC000039075984 368329230 /nfs/dbraw/zinc/32/92/30/368329230.db2.gz RGEQLCZKYGQAFO-ZIAGYGMSSA-N 1 0 217.312 2.131 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](N=c2[nH]c3ccccc3s2)C1 ZINC000335577398 181435891 /nfs/dbraw/zinc/43/58/91/181435891.db2.gz DMGPARMIMPQQPN-NXEZZACHSA-N 1 0 247.367 2.258 10 0 BEAERO CC(C)C1([NH+]2CCNCC2)CCCCC1 ZINC000107151278 368467332 /nfs/dbraw/zinc/46/73/32/368467332.db2.gz DESMOCRLUIIPNJ-UHFFFAOYSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@H]1C[C@H](C(=O)[C@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000253168317 368581625 /nfs/dbraw/zinc/58/16/25/368581625.db2.gz ZQYKQLLDCDTHKI-WHOHXGKFSA-N 1 0 209.333 2.237 10 0 BEAERO CCO[C@H](C1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000002010278 368734467 /nfs/dbraw/zinc/73/44/67/368734467.db2.gz QQBOGZMGQOAYOZ-PWSUYJOCSA-N 1 0 218.300 2.154 10 0 BEAERO CC(C)c1nsc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000083670182 368801999 /nfs/dbraw/zinc/80/19/99/368801999.db2.gz QZNFOVGMRUQDMB-SECBINFHSA-N 1 0 240.376 2.073 10 0 BEAERO C[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000110815001 368814518 /nfs/dbraw/zinc/81/45/18/368814518.db2.gz SNWVURNCKDCJHZ-QWHCGFSZSA-N 1 0 238.375 2.025 10 0 BEAERO C[C@H](CO)Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000084857868 368859076 /nfs/dbraw/zinc/85/90/76/368859076.db2.gz YIGUMQSZUHQENZ-ZDUSSCGKSA-N 1 0 233.355 2.453 10 0 BEAERO C[C@@H](CO)Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000084857869 368859682 /nfs/dbraw/zinc/85/96/82/368859682.db2.gz YIGUMQSZUHQENZ-CYBMUJFWSA-N 1 0 233.355 2.453 10 0 BEAERO CCC[C@]1(c2cccc(O)c2)CC[NH2+]C1 ZINC000003627785 368876116 /nfs/dbraw/zinc/87/61/16/368876116.db2.gz ODZIWWCDWKQCTQ-ZDUSSCGKSA-N 1 0 205.301 2.423 10 0 BEAERO C[NH+]1CCC([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000003621396 368876217 /nfs/dbraw/zinc/87/62/17/368876217.db2.gz FLNPMFIPMFSRQX-HUUCEWRRSA-N 1 0 231.339 2.234 10 0 BEAERO C[NH+](C)Cc1ccc(C(F)(F)F)cc1N ZINC000115699735 369005197 /nfs/dbraw/zinc/00/51/97/369005197.db2.gz MHDJIYQJBYNNDA-UHFFFAOYSA-N 1 0 218.222 2.349 10 0 BEAERO CCOC(=O)Cc1cccc(CC(C)(C)[NH3+])c1 ZINC000090471107 368984733 /nfs/dbraw/zinc/98/47/33/368984733.db2.gz KTKVMMGGETYZIP-UHFFFAOYSA-N 1 0 235.327 2.072 10 0 BEAERO [NH3+]C[C@H](OC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000042916516 181452693 /nfs/dbraw/zinc/45/26/93/181452693.db2.gz XYMCJWDTDDNSFM-OLZOCXBDSA-N 1 0 239.290 2.021 10 0 BEAERO [NH3+]C[C@H](c1ccc2c(c1)OCO2)C(F)(F)F ZINC000082719087 181453501 /nfs/dbraw/zinc/45/35/01/181453501.db2.gz VDWZTVQAKRTBQF-SSDOTTSWSA-N 1 0 233.189 2.020 10 0 BEAERO [NH3+]C[C@H]1CCOc2ccc(Br)cc21 ZINC000096987609 181466173 /nfs/dbraw/zinc/46/61/73/181466173.db2.gz SXWOKBKCYYPNFO-SSDOTTSWSA-N 1 0 242.116 2.274 10 0 BEAERO [NH3+]C[C@H]1Cc2cccc(-c3cccnc3)c2O1 ZINC000034544412 181467901 /nfs/dbraw/zinc/46/79/01/181467901.db2.gz QZMLLAGZUFDKBJ-GFCCVEGCSA-N 1 0 226.279 2.011 10 0 BEAERO [NH3+]C[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000054637562 181469630 /nfs/dbraw/zinc/46/96/30/181469630.db2.gz ATZOZUSSBNABPM-GFCCVEGCSA-N 1 0 225.719 2.248 10 0 BEAERO NC[C@]1([NH+]2CCCC2)CCCc2ccccc21 ZINC000038960063 181471217 /nfs/dbraw/zinc/47/12/17/181471217.db2.gz ZMXDLYKLKRATOO-OAHLLOKOSA-N 1 0 230.355 2.273 10 0 BEAERO C[C@H]([NH3+])C(=O)c1ccccc1C1CCC1 ZINC000107193034 369334813 /nfs/dbraw/zinc/33/48/13/369334813.db2.gz RHWPLAXVXCAYEA-VIFPVBQESA-N 1 0 203.285 2.484 10 0 BEAERO OC1(C[NH2+]C2(C3CCC3)CCC2)CCC1 ZINC000459756228 203357970 /nfs/dbraw/zinc/35/79/70/203357970.db2.gz GFNABJSDLYIKNR-UHFFFAOYSA-N 1 0 209.333 2.214 10 0 BEAERO CC(C)CNC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459773203 203364098 /nfs/dbraw/zinc/36/40/98/203364098.db2.gz UROZONGJGYOHTH-UHFFFAOYSA-N 1 0 238.375 2.071 10 0 BEAERO CCn1c(C)nnc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459774674 203365517 /nfs/dbraw/zinc/36/55/17/203365517.db2.gz PQGOSJWGHOLCNO-UHFFFAOYSA-N 1 0 248.374 2.419 10 0 BEAERO [NH3+]Cc1ccc(CN2CCCCCCC2=O)cc1 ZINC000019276193 181482369 /nfs/dbraw/zinc/48/23/69/181482369.db2.gz XOWSSGBBETVSQE-UHFFFAOYSA-N 1 0 246.354 2.438 10 0 BEAERO C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1cncs1 ZINC000166240242 203387448 /nfs/dbraw/zinc/38/74/48/203387448.db2.gz QGVPQRAZSVNXIF-KOLCDFICSA-N 1 0 239.388 2.134 10 0 BEAERO C[C@H](NC[C@H](C1CC1)[NH+](C)C)c1cncs1 ZINC000166240355 203388199 /nfs/dbraw/zinc/38/81/99/203388199.db2.gz QGVPQRAZSVNXIF-GXSJLCMTSA-N 1 0 239.388 2.134 10 0 BEAERO COC(=O)c1ccc2[nH]cc(C(C)(C)C[NH3+])c2c1 ZINC000205979401 370058302 /nfs/dbraw/zinc/05/83/02/370058302.db2.gz BBPGEVSJNSHYLH-UHFFFAOYSA-N 1 0 246.310 2.191 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)ccn1 ZINC000621277525 370209705 /nfs/dbraw/zinc/20/97/05/370209705.db2.gz MRCZGUGDKPRMER-ZIAGYGMSSA-N 1 0 234.343 2.031 10 0 BEAERO C[C@@H]([NH2+]Cc1cncc(Cl)c1)[C@@H]1CCCO1 ZINC000621277315 370207607 /nfs/dbraw/zinc/20/76/07/370207607.db2.gz GWBHHIPNVUBFAQ-SKDRFNHKSA-N 1 0 240.734 2.392 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C[C@H]1CO ZINC000621374290 370316116 /nfs/dbraw/zinc/31/61/16/370316116.db2.gz YBRQDAYFFTZGBH-YUELXQCFSA-N 1 0 245.366 2.277 10 0 BEAERO COCc1nc(C[NH2+]CC2CC(C)C2)cs1 ZINC000621383676 370326910 /nfs/dbraw/zinc/32/69/10/370326910.db2.gz PZNGTEXBPQGXAK-UHFFFAOYSA-N 1 0 240.372 2.425 10 0 BEAERO CCc1cc(CC)nc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000310305090 370332639 /nfs/dbraw/zinc/33/26/39/370332639.db2.gz OSRBYVNMOSGENB-NXEZZACHSA-N 1 0 236.363 2.139 10 0 BEAERO [NH3+]Cc1nc2cc(F)c(F)cc2s1 ZINC000031894640 181501693 /nfs/dbraw/zinc/50/16/93/181501693.db2.gz LPMSHOMZMXVDDC-UHFFFAOYSA-N 1 0 200.213 2.033 10 0 BEAERO COC(=O)c1ccc2c(c1)[C@H]([NH3+])C(C)(C)C2 ZINC000113931017 370515960 /nfs/dbraw/zinc/51/59/60/370515960.db2.gz XLIUGMGXATVBNK-NSHDSACASA-N 1 0 219.284 2.055 10 0 BEAERO C(=C\c1ccccc1)\CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000255753270 370598631 /nfs/dbraw/zinc/59/86/31/370598631.db2.gz DZTMROKQUCQRHH-FAOGRTBUSA-N 1 0 242.366 2.480 10 0 BEAERO C[C@@H]1CN[C@H](c2nccs2)SC1 ZINC000161611883 370603782 /nfs/dbraw/zinc/60/37/82/370603782.db2.gz GUOUUISSVXVLRR-SVRRBLITSA-N 1 0 200.332 2.114 10 0 BEAERO C[C@H]1CN[C@@H](c2cncs2)SC1 ZINC000161612748 370604391 /nfs/dbraw/zinc/60/43/91/370604391.db2.gz HIXVKZOIPQVNKJ-POYBYMJQSA-N 1 0 200.332 2.114 10 0 BEAERO CC1CCC(C[NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000623749565 371080940 /nfs/dbraw/zinc/08/09/40/371080940.db2.gz JXBJEIUVBLFXJZ-BPNZPQAUSA-N 1 0 211.349 2.173 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000623870786 371134400 /nfs/dbraw/zinc/13/44/00/371134400.db2.gz MUGLNCRXRODEAN-MELADBBJSA-N 1 0 240.391 2.018 10 0 BEAERO CSC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000390287411 371193631 /nfs/dbraw/zinc/19/36/31/371193631.db2.gz XLAFZDQQFGBVEU-NEPJUHHUSA-N 1 0 243.416 2.365 10 0 BEAERO [NH3+][C@@H](CCc1nncn1C1CC1)c1ccccc1 ZINC000054498327 181546436 /nfs/dbraw/zinc/54/64/36/181546436.db2.gz MOJJVKSPIAXODB-ZDUSSCGKSA-N 1 0 242.326 2.246 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1F)[C@H]1CCCOC1 ZINC000062237080 181557665 /nfs/dbraw/zinc/55/76/65/181557665.db2.gz NSVCUWZJQDLNDV-AAEUAGOBSA-N 1 0 223.291 2.122 10 0 BEAERO [NH3+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000034977360 181560174 /nfs/dbraw/zinc/56/01/74/181560174.db2.gz MTGNVBIUWPKKSP-JTQLQIEISA-N 1 0 239.681 2.445 10 0 BEAERO [NH3+][C@H](c1cccs1)c1ccc2c(c1)CC(=O)N2 ZINC000035380381 181562926 /nfs/dbraw/zinc/56/29/26/181562926.db2.gz ZCJIGIHWCHTMSY-ZDUSSCGKSA-N 1 0 244.319 2.291 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1OCCc1ccccc1 ZINC000034958178 181584963 /nfs/dbraw/zinc/58/49/63/181584963.db2.gz JCGHSNAJPQNWHW-CHWSQXEVSA-N 1 0 205.301 2.126 10 0 BEAERO [NH3+][C@@H]1CCN(c2cccc(Cl)c2F)C1 ZINC000037483543 181589713 /nfs/dbraw/zinc/58/97/13/181589713.db2.gz GVNYVSRVPRYPJO-SSDOTTSWSA-N 1 0 214.671 2.017 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1n1cncn1 ZINC000036874778 181592047 /nfs/dbraw/zinc/59/20/47/181592047.db2.gz JJTNPURILVHVMP-MGPQQGTHSA-N 1 0 242.326 2.114 10 0 BEAERO [NH3+][C@H](C[C@@H]1CCCO1)c1cccc(F)c1 ZINC000037466761 181623871 /nfs/dbraw/zinc/62/38/71/181623871.db2.gz OSUJPJBPFAPKKW-NWDGAFQWSA-N 1 0 209.264 2.395 10 0 BEAERO [NH3+][C@H](Cc1cccc(F)c1)Cc1ccccn1 ZINC000037533892 181626490 /nfs/dbraw/zinc/62/64/90/181626490.db2.gz XFSKVOVIUSWZMW-CYBMUJFWSA-N 1 0 230.286 2.333 10 0 BEAERO [NH3+][C@@]1(c2cncnc2)CCCCc2ccccc21 ZINC000052887623 181604192 /nfs/dbraw/zinc/60/41/92/181604192.db2.gz KCFWVPIHTFNIES-OAHLLOKOSA-N 1 0 239.322 2.405 10 0 BEAERO [NH3+][C@H]1CC(=O)c2cc(Br)ccc21 ZINC000057953133 181637796 /nfs/dbraw/zinc/63/77/96/181637796.db2.gz GJSLWXGTMFHIII-QMMMGPOBSA-N 1 0 226.073 2.035 10 0 BEAERO Nc1c(F)cc([C@H]2CCC[NH2+]2)cc1Cl ZINC000072202073 181670130 /nfs/dbraw/zinc/67/01/30/181670130.db2.gz QBWKOSWCPYAABB-SECBINFHSA-N 1 0 214.671 2.486 10 0 BEAERO Nc1cc(F)ccc1SCC1CC[NH2+]CC1 ZINC000043498282 181687916 /nfs/dbraw/zinc/68/79/16/181687916.db2.gz MEJAZPIHCCJWSH-UHFFFAOYSA-N 1 0 240.347 2.500 10 0 BEAERO Nc1cccc(Cl)c1OCC[NH+]1CCCC1 ZINC000040240053 181744766 /nfs/dbraw/zinc/74/47/66/181744766.db2.gz OTXYSDXOBWYYDO-UHFFFAOYSA-N 1 0 240.734 2.397 10 0 BEAERO Cc1ccc([C@H](CN)[NH+]2CCCC2)c(C)c1 ZINC000022177670 371524361 /nfs/dbraw/zinc/52/43/61/371524361.db2.gz BDBNFASWYDMARW-AWEZNQCLSA-N 1 0 218.344 2.399 10 0 BEAERO Nc1ccccc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471837 181757919 /nfs/dbraw/zinc/75/79/19/181757919.db2.gz RCWAVHSLAVVVCF-SNVBAGLBSA-N 1 0 222.357 2.361 10 0 BEAERO Nc1ccccc1SC[C@H]1CCC[NH2+]1 ZINC000043497503 181758671 /nfs/dbraw/zinc/75/86/71/181758671.db2.gz CNYQQUKKBUXJAI-SECBINFHSA-N 1 0 208.330 2.113 10 0 BEAERO CCCCN(CCO)c1ccccc1[C@@H](C)[NH3+] ZINC000042493430 168816512 /nfs/dbraw/zinc/81/65/12/168816512.db2.gz OHPJGEKFVLISPA-GFCCVEGCSA-N 1 0 236.359 2.305 10 0 BEAERO F[C@H]([C@@H]1CCC[NH2+]1)C(F)(F)Br ZINC000225685608 371564367 /nfs/dbraw/zinc/56/43/67/371564367.db2.gz NDXYGLSYEZVOCJ-CRCLSJGQSA-N 1 0 232.043 2.064 10 0 BEAERO Cc1cc(-c2nnc([C@@H](C)[NH3+])s2)co1 ZINC000161856043 371572787 /nfs/dbraw/zinc/57/27/87/371572787.db2.gz QIKYXEFDZSSVMA-ZCFIWIBFSA-N 1 0 209.274 2.126 10 0 BEAERO CO[C@@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000161969044 371595946 /nfs/dbraw/zinc/59/59/46/371595946.db2.gz ZZBSHJGJNHDVME-VIFPVBQESA-N 1 0 248.095 2.234 10 0 BEAERO COc1cccc(Cl)c1[C@H]1C[C@@H]1C[NH3+] ZINC000162077010 371607858 /nfs/dbraw/zinc/60/78/58/371607858.db2.gz KCAATIXSQZSTMF-SFYZADRCSA-N 1 0 211.692 2.411 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1Oc1nc(Cl)cs1 ZINC000131658518 371642975 /nfs/dbraw/zinc/64/29/75/371642975.db2.gz URKUKFJLTJFQRX-NTSWFWBYSA-N 1 0 218.709 2.055 10 0 BEAERO CC[C@@](C)([NH3+])C(=O)c1ccc(F)c(C)c1 ZINC000226664355 371719098 /nfs/dbraw/zinc/71/90/98/371719098.db2.gz YRCJVDRQHLNLRS-GFCCVEGCSA-N 1 0 209.264 2.444 10 0 BEAERO CC[C@@](C)([NH3+])C(=O)c1cccc(F)c1F ZINC000226661635 371720199 /nfs/dbraw/zinc/72/01/99/371720199.db2.gz WNNWUXNVUCFHMJ-LLVKDONJSA-N 1 0 213.227 2.275 10 0 BEAERO [NH3+]C1(CC(=O)c2ccccc2F)CCC1 ZINC000226673904 371721052 /nfs/dbraw/zinc/72/10/52/371721052.db2.gz DGYDCCFQYAMIIN-UHFFFAOYSA-N 1 0 207.248 2.280 10 0 BEAERO C[C@]1(c2ccc(Br)o2)CC[NH2+]1 ZINC000131870728 371699984 /nfs/dbraw/zinc/69/99/84/371699984.db2.gz AJSYELXGYYBZON-MRVPVSSYSA-N 1 0 216.078 2.251 10 0 BEAERO [NH3+]C1CC(c2ccc(Br)o2)C1 ZINC000131880005 371703127 /nfs/dbraw/zinc/70/31/27/371703127.db2.gz BYEZTEZVMCIWHT-UHFFFAOYSA-N 1 0 216.078 2.247 10 0 BEAERO Cc1nsc(S[C@H]2CCCC[NH2+]C2)n1 ZINC000132188153 371761695 /nfs/dbraw/zinc/76/16/95/371761695.db2.gz NIYQIYKRWTWPAU-QMMMGPOBSA-N 1 0 229.374 2.081 10 0 BEAERO CCCCOC(=O)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000162771575 371847269 /nfs/dbraw/zinc/84/72/69/371847269.db2.gz QBPKCFCNMBCPKK-PHIMTYICSA-N 1 0 213.321 2.095 10 0 BEAERO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000227516922 371878549 /nfs/dbraw/zinc/87/85/49/371878549.db2.gz ANJQABAFULXYAB-BBBLOLIVSA-N 1 0 228.336 2.040 10 0 BEAERO C[C@H](C[NH2+]C1CC1)CN(C)C(=O)OC(C)(C)C ZINC000227666184 371918161 /nfs/dbraw/zinc/91/81/61/371918161.db2.gz MIFWKUWPLUXNLR-SNVBAGLBSA-N 1 0 242.363 2.241 10 0 BEAERO [NH3+]Cc1c(Cl)scc1[C@@H]1CCOC1 ZINC000132798974 371923506 /nfs/dbraw/zinc/92/35/06/371923506.db2.gz IYWVLIPRBSZPAW-ZCFIWIBFSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H](CNC1=[NH+]CCS1)C(C)(C)C ZINC000163085569 371924951 /nfs/dbraw/zinc/92/49/51/371924951.db2.gz JCDXSBGLOYFERX-MRVPVSSYSA-N 1 0 200.351 2.361 10 0 BEAERO C[N@H+]([C@@H]1CCSC1)[C@@H]1CCCCCC1=O ZINC000057896097 371927263 /nfs/dbraw/zinc/92/72/63/371927263.db2.gz TWJLVFWRYMETTG-GHMZBOCLSA-N 1 0 227.373 2.326 10 0 BEAERO Cc1csc(Br)c1C[NH3+] ZINC000132827777 371930955 /nfs/dbraw/zinc/93/09/55/371930955.db2.gz NCMXLGVJPZRGQH-UHFFFAOYSA-N 1 0 206.108 2.278 10 0 BEAERO [NH3+][C@@H]1CCO[C@H]1c1sccc1Br ZINC000228026797 371977633 /nfs/dbraw/zinc/97/76/33/371977633.db2.gz PEEVPGYGXOFNEI-RNFRBKRXSA-N 1 0 248.145 2.299 10 0 BEAERO C[NH2+][C@H](C(C)C)[C@@H]1SCCS[C@@H]1C ZINC000228115429 371992966 /nfs/dbraw/zinc/99/29/66/371992966.db2.gz WHMVTXAVFYMEBD-OPRDCNLKSA-N 1 0 219.419 2.468 10 0 BEAERO Cc1cc(Br)ccc1[C@H]([NH3+])CCO ZINC000217449360 371956760 /nfs/dbraw/zinc/95/67/60/371956760.db2.gz SKLUWTQERIMULU-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1C/C(Cl)=C\Cl ZINC000228347721 372018223 /nfs/dbraw/zinc/01/82/23/372018223.db2.gz SBFKLTUJRSPMFT-ZKAIPZBJSA-N 1 0 223.147 2.117 10 0 BEAERO Cc1csc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000306552268 372035704 /nfs/dbraw/zinc/03/57/04/372035704.db2.gz KEOWTRGEHLTNAZ-RKDXNWHRSA-N 1 0 211.334 2.133 10 0 BEAERO [NH3+]C1CCC(F)(c2ccns2)CC1 ZINC000306596442 372043224 /nfs/dbraw/zinc/04/32/24/372043224.db2.gz YSVCORYDLBAOGF-UHFFFAOYSA-N 1 0 200.282 2.209 10 0 BEAERO CCCNc1c(N)c[nH+]cc1Br ZINC000218063925 372054245 /nfs/dbraw/zinc/05/42/45/372054245.db2.gz MQVOUALRXNSRKQ-UHFFFAOYSA-N 1 0 230.109 2.248 10 0 BEAERO C[C@@H]1CCC[C@H]([C@@H]([NH3+])c2cnsn2)C1 ZINC000229060486 372113371 /nfs/dbraw/zinc/11/33/71/372113371.db2.gz UGMGHRWZFLFDBR-KHQFGBGNSA-N 1 0 211.334 2.364 10 0 BEAERO CC[C@H](Nc1ncccc1Cl)[C@@H](C)[NH3+] ZINC000306884314 372074568 /nfs/dbraw/zinc/07/45/68/372074568.db2.gz QAZUPGRZCRJVIB-APPZFPTMSA-N 1 0 213.712 2.273 10 0 BEAERO C[C@](F)(c1ccsn1)[C@@H]1CCC[NH2+]1 ZINC000306965506 372081476 /nfs/dbraw/zinc/08/14/76/372081476.db2.gz KDDFOPQQALQSEG-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO CC1(C)[C@@H]([NH3+])C[C@@]1(F)c1ccns1 ZINC000405299016 372151504 /nfs/dbraw/zinc/15/15/04/372151504.db2.gz QYUGICMLJHMYDA-IMTBSYHQSA-N 1 0 200.282 2.065 10 0 BEAERO COc1ccsc1[C@@H]1CC[NH2+]C[C@@H]1C ZINC000229543051 372163451 /nfs/dbraw/zinc/16/34/51/372163451.db2.gz NVFBCEQSEFVIOI-DTWKUNHWSA-N 1 0 211.330 2.470 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC1(C)C ZINC000004203354 372168215 /nfs/dbraw/zinc/16/82/15/372168215.db2.gz PETMLUYRRDBMHW-ZDUSSCGKSA-N 1 0 247.338 2.318 10 0 BEAERO O=C(C[NH2+]CC1CCCCC1)N1CCCCC1 ZINC000037249311 181978326 /nfs/dbraw/zinc/97/83/26/181978326.db2.gz PMBMYCRVKFLJEI-UHFFFAOYSA-N 1 0 238.375 2.169 10 0 BEAERO [NH2+]=C(CNc1ccc(Cl)c(Cl)c1)NO ZINC000038816501 372780436 /nfs/dbraw/zinc/78/04/36/372780436.db2.gz DCWCTDKIOSOPPS-UHFFFAOYSA-N 1 0 234.086 2.361 10 0 BEAERO CCOc1cccc([C@H](C[NH3+])N(CC)CC)c1 ZINC000038970640 372838532 /nfs/dbraw/zinc/83/85/32/372838532.db2.gz NZDYMNKPIAFDSM-AWEZNQCLSA-N 1 0 236.359 2.427 10 0 BEAERO O=C(C[C@@H]1CCCC[NH2+]1)NCC1CCCCC1 ZINC000037260038 182016528 /nfs/dbraw/zinc/01/65/28/182016528.db2.gz NERKQRJTRCTCRE-ZDUSSCGKSA-N 1 0 238.375 2.215 10 0 BEAERO O=C(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000041279473 182045416 /nfs/dbraw/zinc/04/54/16/182045416.db2.gz PUKKYPCHJMUQJE-UHFFFAOYSA-N 1 0 237.730 2.451 10 0 BEAERO CCC[NH2+]CCN1CC[C@H]2CCCC[C@H]2C1 ZINC000245225525 373198836 /nfs/dbraw/zinc/19/88/36/373198836.db2.gz XJJYIGYEJPSVBJ-KGLIPLIRSA-N 1 0 224.392 2.498 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2nccs2)C1 ZINC000040503247 373364718 /nfs/dbraw/zinc/36/47/18/373364718.db2.gz XHQFQXQOGQGGRK-VIFPVBQESA-N 1 0 211.334 2.039 10 0 BEAERO Cc1ccsc1[C@@H](C)N1CC[C@H]([NH3+])C1 ZINC000069637147 373563955 /nfs/dbraw/zinc/56/39/55/373563955.db2.gz POCVEWWMLCNKMB-ZJUUUORDSA-N 1 0 210.346 2.151 10 0 BEAERO CCc1ccc([C@@H]2[C@H]([NH3+])CCN2C)s1 ZINC000069799056 373807618 /nfs/dbraw/zinc/80/76/18/373807618.db2.gz QGKVGOILMQULDH-KOLCDFICSA-N 1 0 210.346 2.014 10 0 BEAERO CCN1CCC[C@@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799277 373807938 /nfs/dbraw/zinc/80/79/38/373807938.db2.gz NEZJWHGZSMWZQF-MWLCHTKSSA-N 1 0 210.346 2.232 10 0 BEAERO CCCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000123620954 168853006 /nfs/dbraw/zinc/85/30/06/168853006.db2.gz CTYAPNOFBWFUBH-LBPRGKRZSA-N 1 0 243.395 2.062 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000069938797 374081843 /nfs/dbraw/zinc/08/18/43/374081843.db2.gz OAULTFZNJXCAPY-GMSGAONNSA-N 1 0 241.132 2.342 10 0 BEAERO [NH3+][C@]1(c2ccc(Cl)cc2)CCCOC1 ZINC000070011888 374109865 /nfs/dbraw/zinc/10/98/65/374109865.db2.gz CCCDCRMCQIRXNJ-LLVKDONJSA-N 1 0 211.692 2.304 10 0 BEAERO C[NH2+]Cc1cc(F)c(Br)cc1F ZINC000070022718 374112845 /nfs/dbraw/zinc/11/28/45/374112845.db2.gz HMHJCVXGMXIKSF-UHFFFAOYSA-N 1 0 236.059 2.447 10 0 BEAERO Cc1csc([C@H](C)NC2=[NH+]CCS2)n1 ZINC000070734444 374184632 /nfs/dbraw/zinc/18/46/32/374184632.db2.gz KFEZFEJTSFHFER-ZETCQYMHSA-N 1 0 227.358 2.205 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccc(C)s1 ZINC000083346378 170000469 /nfs/dbraw/zinc/00/04/69/170000469.db2.gz NFUYPHIFHFZGEQ-JTQLQIEISA-N 1 0 210.346 2.023 10 0 BEAERO COc1ccc([C@H](O)[C@H]([NH3+])C(C)C)cc1Cl ZINC000071558215 374275771 /nfs/dbraw/zinc/27/57/71/374275771.db2.gz JQZUCUYIOLSSHO-NEPJUHHUSA-N 1 0 243.734 2.365 10 0 BEAERO CCN1C[C@H]([NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC000309065260 170036803 /nfs/dbraw/zinc/03/68/03/170036803.db2.gz YYBZOSXJDPEVFO-JQWIXIFHSA-N 1 0 224.373 2.178 10 0 BEAERO CCCC[NH2+]C[C@H](O)c1cc(C)ccc1OC ZINC000037876106 168868680 /nfs/dbraw/zinc/86/86/80/168868680.db2.gz LKUHHJRUFGVXPG-ZDUSSCGKSA-N 1 0 237.343 2.427 10 0 BEAERO CCOC(=O)CC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000037636380 170211283 /nfs/dbraw/zinc/21/12/83/170211283.db2.gz TZKKYOBRZNNRSW-LLVKDONJSA-N 1 0 243.253 2.308 10 0 BEAERO O=C(c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000082374719 182679643 /nfs/dbraw/zinc/67/96/43/182679643.db2.gz VZUQHJDRCXJYFJ-MRVPVSSYSA-N 1 0 209.676 2.132 10 0 BEAERO CCCCOCCO[C@@H]1CCCCC[C@H]1[NH3+] ZINC000020510197 168905213 /nfs/dbraw/zinc/90/52/13/168905213.db2.gz SAJKCUJXZPXPBN-CHWSQXEVSA-N 1 0 229.364 2.480 10 0 BEAERO C1CC(N2CCC([NH+]3CCCC3)CC2)C1 ZINC000178981902 134314018 /nfs/dbraw/zinc/31/40/18/134314018.db2.gz WTROSRQQGLVZQC-UHFFFAOYSA-N 1 0 208.349 2.099 10 0 BEAERO CCOCCN(CC)c1cc(C)ccc1C[NH3+] ZINC000104201785 170396652 /nfs/dbraw/zinc/39/66/52/170396652.db2.gz DWQNASJWHXOUNP-UHFFFAOYSA-N 1 0 236.359 2.317 10 0 BEAERO CCCC[C@@H](CC)C(=O)N1CCC([NH2+]C)CC1 ZINC000037536476 168952056 /nfs/dbraw/zinc/95/20/56/168952056.db2.gz VTTFPVTXVIXXSC-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO OC1CC(CC[NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000336696483 183025483 /nfs/dbraw/zinc/02/54/83/183025483.db2.gz ZQZOORQBBIEMIC-MVKMKZAISA-N 1 0 229.339 2.265 10 0 BEAERO OCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494899 183054002 /nfs/dbraw/zinc/05/40/02/183054002.db2.gz TXKTWSDWZZLGCC-CYBMUJFWSA-N 1 0 209.333 2.191 10 0 BEAERO OCCC[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000006117793 183062622 /nfs/dbraw/zinc/06/26/22/183062622.db2.gz XQJOQBSYNVJACP-ZDUSSCGKSA-N 1 0 230.311 2.127 10 0 BEAERO OCC[N@H+](Cc1cc[nH]c1)C1CCCCC1 ZINC000124985294 183067780 /nfs/dbraw/zinc/06/77/80/183067780.db2.gz GTURBRHYFLMLFO-UHFFFAOYSA-N 1 0 222.332 2.142 10 0 BEAERO CCCC[C@H](C)[C@H](C)[NH2+]CCn1cncn1 ZINC000309995438 168993487 /nfs/dbraw/zinc/99/34/87/168993487.db2.gz CAMSSEZGLQZQLB-RYUDHWBXSA-N 1 0 224.352 2.083 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCCOC2)o1 ZINC000220915725 134314758 /nfs/dbraw/zinc/31/47/58/134314758.db2.gz OMEHSFOKJTXAEW-QWRGUYRKSA-N 1 0 224.304 2.060 10 0 BEAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000353702613 183094869 /nfs/dbraw/zinc/09/48/69/183094869.db2.gz JOSZEHOOJRIJEL-OLZOCXBDSA-N 1 0 209.333 2.047 10 0 BEAERO OC[C@@H]1CCCC[N@H+](CCCCCF)C1 ZINC000375364397 183115066 /nfs/dbraw/zinc/11/50/66/183115066.db2.gz XYKORNLDCFDFHX-GFCCVEGCSA-N 1 0 217.328 2.221 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000219011561 183115140 /nfs/dbraw/zinc/11/51/40/183115140.db2.gz IDDOLDGPUGJXJA-JSGCOSHPSA-N 1 0 237.318 2.466 10 0 BEAERO OC[C@@H]1CCCC[N@H+](Cc2cccs2)C1 ZINC000377243303 183115540 /nfs/dbraw/zinc/11/55/40/183115540.db2.gz UUDKKNXWIDWANP-LLVKDONJSA-N 1 0 225.357 2.343 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000123437031 183115902 /nfs/dbraw/zinc/11/59/02/183115902.db2.gz FITMXIPXAMQNST-IHRRRGAJSA-N 1 0 223.360 2.483 10 0 BEAERO OC[C@@H]1CCCC[N@H+](CCOc2ccccc2)C1 ZINC000363355421 183115962 /nfs/dbraw/zinc/11/59/62/183115962.db2.gz JPWGQMCHRDWSGZ-CQSZACIVSA-N 1 0 249.354 2.160 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819602 169006439 /nfs/dbraw/zinc/00/64/39/169006439.db2.gz ODUOLRFETOJUTM-WCQYABFASA-N 1 0 249.358 2.196 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)NCc1ccc(CC)cc1 ZINC000083379007 169006943 /nfs/dbraw/zinc/00/69/43/169006943.db2.gz GHEHYZKIAXPGSG-AWEZNQCLSA-N 1 0 248.370 2.383 10 0 BEAERO CCCCc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1 ZINC000049648136 169020115 /nfs/dbraw/zinc/02/01/15/169020115.db2.gz MZUUDOMRRXRDPB-CYBMUJFWSA-N 1 0 232.327 2.093 10 0 BEAERO CCCCc1ccc(N2C[C@H]([NH3+])CC2=O)cc1 ZINC000035679547 169021214 /nfs/dbraw/zinc/02/12/14/169021214.db2.gz ACQOVQRGWXAJCY-GFCCVEGCSA-N 1 0 232.327 2.093 10 0 BEAERO CCCCc1ccc([C@@H](C)[C@H](O)C[NH3+])cc1 ZINC000041238449 169021653 /nfs/dbraw/zinc/02/16/53/169021653.db2.gz YFEAQHQTMYQTAB-BXUZGUMPSA-N 1 0 221.344 2.452 10 0 BEAERO OC[C@H]1CCCC[N@H+](Cc2cccs2)C1 ZINC000377243305 183147290 /nfs/dbraw/zinc/14/72/90/183147290.db2.gz UUDKKNXWIDWANP-NSHDSACASA-N 1 0 225.357 2.343 10 0 BEAERO OC[C@H]1CCCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000374054688 183147556 /nfs/dbraw/zinc/14/75/56/183147556.db2.gz ZRBZIEVYXWPYMQ-QWHCGFSZSA-N 1 0 209.333 2.190 10 0 BEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000152321485 183149248 /nfs/dbraw/zinc/14/92/48/183149248.db2.gz SUTDWCOKDDCGAX-VXGBXAGGSA-N 1 0 225.357 2.389 10 0 BEAERO CCCCn1c[nH+]c(C2CCOCC2)c1N ZINC000105201673 169037104 /nfs/dbraw/zinc/03/71/04/169037104.db2.gz PTLUKAFEARSMAY-UHFFFAOYSA-N 1 0 223.320 2.159 10 0 BEAERO OC[C@]1([NH2+]C2CCCCCC2)CCSC1 ZINC000038122329 183158748 /nfs/dbraw/zinc/15/87/48/183158748.db2.gz JXDBDNRDTAZBAF-GFCCVEGCSA-N 1 0 229.389 2.167 10 0 BEAERO CCCN(C(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000037097386 169040958 /nfs/dbraw/zinc/04/09/58/169040958.db2.gz VNIPZFSCXGMSQN-UHFFFAOYSA-N 1 0 224.348 2.049 10 0 BEAERO OCc1cc(Cl)ccc1[C@H]1CCC[NH2+]1 ZINC000072202018 183161507 /nfs/dbraw/zinc/16/15/07/183161507.db2.gz ZGVHYHLIYWKTSA-LLVKDONJSA-N 1 0 211.692 2.257 10 0 BEAERO CCCN(C(=O)[C@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000055086978 169045218 /nfs/dbraw/zinc/04/52/18/169045218.db2.gz GJPLIKJRVAEXKS-NWDGAFQWSA-N 1 0 226.364 2.151 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000032012600 183177307 /nfs/dbraw/zinc/17/73/07/183177307.db2.gz KOWYMJGIZAQEGY-NSHDSACASA-N 1 0 211.692 2.125 10 0 BEAERO CCCN(C(=O)[C@]1(CCC)CC[NH2+]C1)C1CC1 ZINC000062890317 169046291 /nfs/dbraw/zinc/04/62/91/169046291.db2.gz QCQLQGWUBIXJNU-CQSZACIVSA-N 1 0 238.375 2.167 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)c1ccc(Cl)c(F)c1 ZINC000055029450 183178045 /nfs/dbraw/zinc/17/80/45/183178045.db2.gz HVRXETSPZAMBJB-NSHDSACASA-N 1 0 229.682 2.265 10 0 BEAERO O[C@@H](C[NH2+]CCc1cccnc1)c1cccs1 ZINC000037894756 183179469 /nfs/dbraw/zinc/17/94/69/183179469.db2.gz GGHTUNQSTWLPHZ-LBPRGKRZSA-N 1 0 248.351 2.009 10 0 BEAERO O[C@@H](Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000041289533 183183442 /nfs/dbraw/zinc/18/34/42/183183442.db2.gz BTTKPPZCZURHKN-RYUDHWBXSA-N 1 0 243.709 2.135 10 0 BEAERO CC(C)(C)NC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145195 166625548 /nfs/dbraw/zinc/62/55/48/166625548.db2.gz USNCVVHONKDQOS-MNOVXSKESA-N 1 0 226.364 2.056 10 0 BEAERO O[C@@H](c1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC000036906353 183184653 /nfs/dbraw/zinc/18/46/53/183184653.db2.gz FCGHCHSIEUVBAK-GFCCVEGCSA-N 1 0 245.244 2.137 10 0 BEAERO O[C@@H](CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000033978943 183174266 /nfs/dbraw/zinc/17/42/66/183174266.db2.gz KPKJWIATYWHECY-ZDUSSCGKSA-N 1 0 223.291 2.345 10 0 BEAERO O[C@@H](c1cc(Cl)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000083264766 183185096 /nfs/dbraw/zinc/18/50/96/183185096.db2.gz YDXYTTUKDPTOLL-QWRGUYRKSA-N 1 0 229.682 2.265 10 0 BEAERO CCCN(C(=O)[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000037096446 169045605 /nfs/dbraw/zinc/04/56/05/169045605.db2.gz JZOYUOMGKAMKTL-NWDGAFQWSA-N 1 0 226.364 2.022 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000037164809 183196547 /nfs/dbraw/zinc/19/65/47/183196547.db2.gz IBSYYASHXSKATR-VHSXEESVSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000037164286 183196647 /nfs/dbraw/zinc/19/66/47/183196647.db2.gz PFRHBWVCKXGDAM-QWHCGFSZSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]C1 ZINC000038058306 183185580 /nfs/dbraw/zinc/18/55/80/183185580.db2.gz SPJBERPXHNCTOW-HIFRSBDPSA-N 1 0 247.338 2.045 10 0 BEAERO O[C@@H]1CCC2=C(C[N@@H+](C3CCCCC3)C2)C1 ZINC000169343120 183187239 /nfs/dbraw/zinc/18/72/39/183187239.db2.gz JJCCLKZHOWCWKJ-CQSZACIVSA-N 1 0 221.344 2.476 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2ccsc2C1 ZINC000270885115 183189045 /nfs/dbraw/zinc/18/90/45/183189045.db2.gz KPXVISRMERGSHH-NWDGAFQWSA-N 1 0 237.368 2.410 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000037490819 183189272 /nfs/dbraw/zinc/18/92/72/183189272.db2.gz VTYFZPMDRMMWRP-QWHCGFSZSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577629 183189407 /nfs/dbraw/zinc/18/94/07/183189407.db2.gz PDUBGGUAZAAGGU-QWHCGFSZSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000028232202 183189489 /nfs/dbraw/zinc/18/94/89/183189489.db2.gz TYFVIIFOPODLOW-LSDHHAIUSA-N 1 0 231.339 2.348 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000049181110 183190570 /nfs/dbraw/zinc/19/05/70/183190570.db2.gz UALWAQNNDKYEQM-VXGBXAGGSA-N 1 0 225.357 2.184 10 0 BEAERO O[C@@H]1CCC[N@H+](C[C@H]2CCCC2(F)F)CC1 ZINC000336144741 183192135 /nfs/dbraw/zinc/19/21/35/183192135.db2.gz RBNWSEAZJRCMJY-GHMZBOCLSA-N 1 0 233.302 2.269 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cccnc1)CC2 ZINC000019338998 183218344 /nfs/dbraw/zinc/21/83/44/183218344.db2.gz YLXVDEWNLHNDPV-HUUCEWRRSA-N 1 0 246.354 2.209 10 0 BEAERO CCC[N@H+](C)Cc1nc2sccc2c(N)n1 ZINC000050813178 169082017 /nfs/dbraw/zinc/08/20/17/169082017.db2.gz KOECKQWEONGMIP-UHFFFAOYSA-N 1 0 236.344 2.115 10 0 BEAERO O[C@H](C[NH2+]C1CCCC1)c1cccs1 ZINC000032012587 183223309 /nfs/dbraw/zinc/22/33/09/183223309.db2.gz QHJWGEIWYZWYAX-SNVBAGLBSA-N 1 0 211.330 2.314 10 0 BEAERO O[C@H](C[NH2+]CCc1ccncc1)c1cccs1 ZINC000037894883 183224507 /nfs/dbraw/zinc/22/45/07/183224507.db2.gz RRFXKSQHWLIXFI-GFCCVEGCSA-N 1 0 248.351 2.009 10 0 BEAERO O[C@H](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000041282829 183227180 /nfs/dbraw/zinc/22/71/80/183227180.db2.gz RRLZDLJAJXSBGO-CYBMUJFWSA-N 1 0 239.746 2.243 10 0 BEAERO CCCN(C)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000050596566 169086569 /nfs/dbraw/zinc/08/65/69/169086569.db2.gz ZKPWHNPUMUPDCA-ZDUSSCGKSA-N 1 0 236.359 2.345 10 0 BEAERO O[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000041292092 183228262 /nfs/dbraw/zinc/22/82/62/183228262.db2.gz XJRRCJRNGGFSCI-GHMZBOCLSA-N 1 0 245.244 2.491 10 0 BEAERO O[C@H](c1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000083264047 183228603 /nfs/dbraw/zinc/22/86/03/183228603.db2.gz QVQGKRURARYRDQ-GHMZBOCLSA-N 1 0 229.682 2.265 10 0 BEAERO CCCN(C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000020225877 169087074 /nfs/dbraw/zinc/08/70/74/169087074.db2.gz UUHDGOHMSVLBSK-CYBMUJFWSA-N 1 0 222.332 2.037 10 0 BEAERO O[C@H](c1ccc2c(c1)CCC2)[C@H]1CCCC[NH2+]1 ZINC000074367939 183229223 /nfs/dbraw/zinc/22/92/23/183229223.db2.gz VGHUNRYHQKGSJF-HUUCEWRRSA-N 1 0 231.339 2.351 10 0 BEAERO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CC[C@H](C2CC2)C1 ZINC000371473120 183214336 /nfs/dbraw/zinc/21/43/36/183214336.db2.gz LIJHPGVAZOMOOV-NUEKZKHPSA-N 1 0 243.350 2.377 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCCF)CC2 ZINC000309352379 183217404 /nfs/dbraw/zinc/21/74/04/183217404.db2.gz XSPOFSYJWVZHKT-CHWSQXEVSA-N 1 0 229.339 2.363 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC000089164684 183237983 /nfs/dbraw/zinc/23/79/83/183237983.db2.gz DPICXMDLJDRMMY-CABZTGNLSA-N 1 0 241.281 2.215 10 0 BEAERO CCCN(CC)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037095103 169116131 /nfs/dbraw/zinc/11/61/31/169116131.db2.gz GGCUIJVFIOKMHE-AGIUHOORSA-N 1 0 238.375 2.166 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccncc1)CC2 ZINC000019405217 183253005 /nfs/dbraw/zinc/25/30/05/183253005.db2.gz DFQPELNVIXKUCR-GJZGRUSLSA-N 1 0 246.354 2.209 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccnc1)CC2 ZINC000019339003 183253018 /nfs/dbraw/zinc/25/30/18/183253018.db2.gz YLXVDEWNLHNDPV-CABCVRRESA-N 1 0 246.354 2.209 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000037490877 183234069 /nfs/dbraw/zinc/23/40/69/183234069.db2.gz BZJVCXVEQUFZTB-MNOVXSKESA-N 1 0 211.330 2.141 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000037166279 183236723 /nfs/dbraw/zinc/23/67/23/183236723.db2.gz WWSINUJDIZDUNF-RYUDHWBXSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1F ZINC000089163064 183237663 /nfs/dbraw/zinc/23/76/63/183237663.db2.gz WABSSMPUWXRYGK-GWCFXTLKSA-N 1 0 241.281 2.215 10 0 BEAERO CCC[NH+](CCC)C[C@H](N)CC(C)C ZINC000020072224 169148749 /nfs/dbraw/zinc/14/87/49/169148749.db2.gz ORNBJSRGPVXGEI-GFCCVEGCSA-N 1 0 200.370 2.482 10 0 BEAERO Oc1ccc(-c2cccc3c2CC[NH2+]C3)nc1 ZINC000071767940 183264786 /nfs/dbraw/zinc/26/47/86/183264786.db2.gz RACFNWYQOASQBZ-UHFFFAOYSA-N 1 0 226.279 2.100 10 0 BEAERO Oc1ccc(C[NH2+]Cc2ccc(O)cc2)cc1 ZINC000062722154 183270548 /nfs/dbraw/zinc/27/05/48/183270548.db2.gz NSLVNWUAMGEQBL-UHFFFAOYSA-N 1 0 229.279 2.388 10 0 BEAERO CCC[N@H+](C[C@H](N)CC(C)C)CC1CC1 ZINC000042491172 169138605 /nfs/dbraw/zinc/13/86/05/169138605.db2.gz KQTKIUKWZJOHSA-CYBMUJFWSA-N 1 0 212.381 2.482 10 0 BEAERO CCCN(CCC)[C@H](C[NH3+])c1ccncc1 ZINC000032021423 169152731 /nfs/dbraw/zinc/15/27/31/169152731.db2.gz NTDMTUMWNSQCFW-CYBMUJFWSA-N 1 0 221.348 2.203 10 0 BEAERO Oc1ccc2c(c1)[C@@H](CC1CCOCC1)[NH2+]CC2 ZINC000083663692 183281896 /nfs/dbraw/zinc/28/18/96/183281896.db2.gz HIXHKYAERRDIIG-OAHLLOKOSA-N 1 0 247.338 2.396 10 0 BEAERO CCC[NH+](CCC)CCCC(N)=S ZINC000019512360 169147025 /nfs/dbraw/zinc/14/70/25/169147025.db2.gz ARTYCXIXMDDGII-UHFFFAOYSA-N 1 0 202.367 2.175 10 0 BEAERO Oc1cccc(-c2noc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000096879773 183288385 /nfs/dbraw/zinc/28/83/85/183288385.db2.gz FSJSYJHJENQRKL-LLVKDONJSA-N 1 0 245.282 2.257 10 0 BEAERO CCCN(CCC[NH3+])C(=O)c1cccc(F)c1 ZINC000036731282 169155455 /nfs/dbraw/zinc/15/54/55/169155455.db2.gz YGMKWVYLKKOQIY-UHFFFAOYSA-N 1 0 238.306 2.027 10 0 BEAERO CCCN(CC[NH3+])c1cccc(C(F)(F)F)n1 ZINC000104312869 169157473 /nfs/dbraw/zinc/15/74/73/169157473.db2.gz BQTNNGNPCYZOBU-UHFFFAOYSA-N 1 0 247.264 2.276 10 0 BEAERO CCCN(CC[NH3+])c1ccc(C(C)=O)cc1 ZINC000076610411 169158327 /nfs/dbraw/zinc/15/83/27/169158327.db2.gz BFQRXYDIYABNFB-UHFFFAOYSA-N 1 0 220.316 2.064 10 0 BEAERO CCCN(CC[NH3+])C(=O)Nc1ccccc1F ZINC000041160672 169158484 /nfs/dbraw/zinc/15/84/84/169158484.db2.gz QUQAKOBHMIYBOO-UHFFFAOYSA-N 1 0 239.294 2.028 10 0 BEAERO CCC[N@H+](CCO)CCCC(=O)c1ccccc1 ZINC000049824755 169165342 /nfs/dbraw/zinc/16/53/42/169165342.db2.gz ISAVSKOVGUFMEH-UHFFFAOYSA-N 1 0 249.354 2.354 10 0 BEAERO CCCN(CCO)c1ccc(F)cc1[C@H](C)[NH3+] ZINC000042452888 169168409 /nfs/dbraw/zinc/16/84/09/169168409.db2.gz DEHGLYIGNDPQSB-JTQLQIEISA-N 1 0 240.322 2.054 10 0 BEAERO CCC[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000038112575 169187352 /nfs/dbraw/zinc/18/73/52/169187352.db2.gz CMLQVJSNGJUOJP-UHFFFAOYSA-N 1 0 248.370 2.335 10 0 BEAERO c1[nH]c2cc3c(cc2c1C1CC[NH2+]CC1)OCO3 ZINC000062319172 183320503 /nfs/dbraw/zinc/32/05/03/183320503.db2.gz VAJVUYAWRGHLLB-UHFFFAOYSA-N 1 0 244.294 2.364 10 0 BEAERO c1c2c(cc3c1CC[NH2+][C@@H]3CC1CC1)OCO2 ZINC000075655296 183321461 /nfs/dbraw/zinc/32/14/61/183321461.db2.gz KAWIKXINVFOTMT-GFCCVEGCSA-N 1 0 231.295 2.402 10 0 BEAERO c1c2c(cc3c1OCCO3)[C@H](C1CCC1)[NH2+]CC2 ZINC000083702628 183322245 /nfs/dbraw/zinc/32/22/45/183322245.db2.gz CIKJORYJEAKSJO-HNNXBMFYSA-N 1 0 245.322 2.445 10 0 BEAERO c1c[nH]c(C[NH2+]C2C3CC4CC(C3)CC2C4)n1 ZINC000049715184 183325542 /nfs/dbraw/zinc/32/55/42/183325542.db2.gz KGVNPOLPACVMTF-UHFFFAOYSA-N 1 0 231.343 2.324 10 0 BEAERO CCC[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105897409 169194646 /nfs/dbraw/zinc/19/46/46/169194646.db2.gz CSPQUIXMKWKXLX-GFCCVEGCSA-N 1 0 221.348 2.492 10 0 BEAERO CCC[NH+]1CCN(Cc2ccc(C)c(N)c2)CC1 ZINC000020073780 169202457 /nfs/dbraw/zinc/20/24/57/169202457.db2.gz ZWELPIDNOUIBNO-UHFFFAOYSA-N 1 0 247.386 2.105 10 0 BEAERO CCCNC(=O)C[NH2+]CC1CCC(CC)CC1 ZINC000037905765 169226546 /nfs/dbraw/zinc/22/65/46/169226546.db2.gz ITYAESIZUPBPRE-UHFFFAOYSA-N 1 0 240.391 2.319 10 0 BEAERO c1cnn(-c2cccc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000082966369 183359713 /nfs/dbraw/zinc/35/97/13/183359713.db2.gz ZJLFBWWLRUVFQM-ZDUSSCGKSA-N 1 0 213.284 2.297 10 0 BEAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000076634368 169232683 /nfs/dbraw/zinc/23/26/83/169232683.db2.gz FQDQVKZBCVTPKQ-ZDUSSCGKSA-N 1 0 248.370 2.262 10 0 BEAERO CCC[N@@H+]1CCO[C@H]2c3cc(O)ccc3CC[C@H]21 ZINC000029392107 169205894 /nfs/dbraw/zinc/20/58/94/169205894.db2.gz JCSREICEMHWFAY-CABCVRRESA-N 1 0 247.338 2.490 10 0 in-vitro BEAERO c1cc(COCC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000051862006 183354355 /nfs/dbraw/zinc/35/43/55/183354355.db2.gz XBLOFOSVLBJPLA-ZDUSSCGKSA-N 1 0 220.316 2.130 10 0 BEAERO c1cnc2cccc(NC3CC[NH2+]CC3)c2c1 ZINC000038040525 183357753 /nfs/dbraw/zinc/35/77/53/183357753.db2.gz IOXKHPMEVPDLGE-UHFFFAOYSA-N 1 0 227.311 2.399 10 0 BEAERO CCC[NH2+]C[C@@H](C)c1c(C)ncnc1C ZINC000054854920 169262917 /nfs/dbraw/zinc/26/29/17/169262917.db2.gz GWTWJNPFIYVDLE-SECBINFHSA-N 1 0 207.321 2.197 10 0 BEAERO c1nc2c(nccc2[C@H]2CCC[NH2+]C2)s1 ZINC000074078677 183364410 /nfs/dbraw/zinc/36/44/10/183364410.db2.gz JHEPNNQBRZQERR-QMMMGPOBSA-N 1 0 219.313 2.158 10 0 BEAERO c1cc2c(c(C3CC[NH2+]CC3)c1)OCCC2 ZINC000082977056 183365531 /nfs/dbraw/zinc/36/55/31/183365531.db2.gz QKXWOBNTSMMOMJ-UHFFFAOYSA-N 1 0 217.312 2.479 10 0 BEAERO c1cc2c(c(C[NH+]3CCCC3)c1)NCC2 ZINC000130462146 183365577 /nfs/dbraw/zinc/36/55/77/183365577.db2.gz NLJCGHAGDFOTGE-UHFFFAOYSA-N 1 0 202.301 2.250 10 0 BEAERO CCC[NH2+]CC(=O)c1cc(C)c(OC)cc1C ZINC000049827494 169256254 /nfs/dbraw/zinc/25/62/54/169256254.db2.gz KWDLKQQLQATJOA-UHFFFAOYSA-N 1 0 235.327 2.494 10 0 BEAERO CCC[NH2+]CCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000043427171 169256441 /nfs/dbraw/zinc/25/64/41/169256441.db2.gz DDXNVJZYCOCBKI-UONOGXRCSA-N 1 0 240.391 2.020 10 0 BEAERO c1cc2c(c([C@@H]3CCC[NH2+]C3)c1)NCC2 ZINC000089210324 183366452 /nfs/dbraw/zinc/36/64/52/183366452.db2.gz BEXHRKJDIXZZOS-LLVKDONJSA-N 1 0 202.301 2.122 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1ccc(OC)cc1 ZINC000072417539 169257441 /nfs/dbraw/zinc/25/74/41/169257441.db2.gz KSYSTMPZXCTYOP-UHFFFAOYSA-N 1 0 236.315 2.023 10 0 BEAERO CCC[NH2+]CCC(=O)c1ccc2c(c1)OCCO2 ZINC000049836938 169257741 /nfs/dbraw/zinc/25/77/41/169257741.db2.gz RNTYJFVZNRLTSZ-UHFFFAOYSA-N 1 0 249.310 2.030 10 0 BEAERO c1cc(C[NH2+]CC[C@@H]2CCCO2)cc2c1OCO2 ZINC000038096039 183367551 /nfs/dbraw/zinc/36/75/51/183367551.db2.gz HVKMWRJEYBQAMC-LBPRGKRZSA-N 1 0 249.310 2.074 10 0 BEAERO c1cc2c(cc1C[C@H]1CCC[NH2+]1)OCCCO2 ZINC000057522270 183368935 /nfs/dbraw/zinc/36/89/35/183368935.db2.gz DNBIYBOKHDMKNK-GFCCVEGCSA-N 1 0 233.311 2.142 10 0 BEAERO CCC[NH2+]CC[C@@H](O)c1ccc(C)cc1 ZINC000049814037 169260169 /nfs/dbraw/zinc/26/01/69/169260169.db2.gz VYMOHEQIJLKFGR-CYBMUJFWSA-N 1 0 207.317 2.418 10 0 BEAERO CCC[NH2+]CCOc1ccc(C)cc1OC ZINC000020525418 169260702 /nfs/dbraw/zinc/26/07/02/169260702.db2.gz AWFQDRVJQYDJGU-UHFFFAOYSA-N 1 0 223.316 2.382 10 0 BEAERO CCC[NH2+]CC[C@H](O)c1ccc(C)c(N)c1 ZINC000098124785 169261007 /nfs/dbraw/zinc/26/10/07/169261007.db2.gz KLGWWVXKNAYYLV-ZDUSSCGKSA-N 1 0 222.332 2.000 10 0 BEAERO CCC[NH2+]CC[C@H](O)c1ccc(C)cc1 ZINC000049814036 169261463 /nfs/dbraw/zinc/26/14/63/169261463.db2.gz VYMOHEQIJLKFGR-ZDUSSCGKSA-N 1 0 207.317 2.418 10 0 BEAERO CCC[NH2+]CC[C@@H](O)c1ccc(F)cc1 ZINC000049814987 169261531 /nfs/dbraw/zinc/26/15/31/169261531.db2.gz UDMAHRBITFRPAT-GFCCVEGCSA-N 1 0 211.280 2.249 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccccc1OCC ZINC000032014530 169262042 /nfs/dbraw/zinc/26/20/42/169262042.db2.gz SRQFGOPLISZXQM-GFCCVEGCSA-N 1 0 223.316 2.118 10 0 BEAERO CCC[NH2+]C[C@@H](CC)N(C)C[C@@H]1CCCOC1 ZINC000104191491 169262297 /nfs/dbraw/zinc/26/22/97/169262297.db2.gz SWYWTVPZLGJSJB-UONOGXRCSA-N 1 0 242.407 2.123 10 0 BEAERO c1cc(OCC[C@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000020221522 183370906 /nfs/dbraw/zinc/37/09/06/183370906.db2.gz XUSVGUVEZVGEMJ-LLVKDONJSA-N 1 0 249.310 2.326 10 0 BEAERO c1cc2c(s1)CCN(C[C@H]1CCCC[NH2+]1)C2 ZINC000020072124 183373939 /nfs/dbraw/zinc/37/39/39/183373939.db2.gz VDLXKUXGUIHNFJ-GFCCVEGCSA-N 1 0 236.384 2.248 10 0 BEAERO CCC[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000033466174 169262596 /nfs/dbraw/zinc/26/25/96/169262596.db2.gz MMKFJAUSPKCCSA-CYBMUJFWSA-N 1 0 237.343 2.043 10 0 BEAERO CCCNC(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000035645699 169240363 /nfs/dbraw/zinc/24/03/63/169240363.db2.gz WAEQQOHECZVSEG-SNVBAGLBSA-N 1 0 235.331 2.499 10 0 BEAERO c1cc2c(cccc2[C@@H]2[NH2+]CCc3nc[nH]c32)[nH]1 ZINC000067458101 183362355 /nfs/dbraw/zinc/36/23/55/183362355.db2.gz OLWORZWXHONTQJ-ZDUSSCGKSA-N 1 0 238.294 2.126 10 0 BEAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1cnn(C)c1 ZINC000060715809 169290665 /nfs/dbraw/zinc/29/06/65/169290665.db2.gz UBTGTXUQVXRFFH-OLZOCXBDSA-N 1 0 221.348 2.446 10 0 BEAERO CCC[NH2+][C@H](C)c1nc2ccccc2n1CCO ZINC000062366650 169288094 /nfs/dbraw/zinc/28/80/94/169288094.db2.gz GKCMDRNTCBQXQI-LLVKDONJSA-N 1 0 247.342 2.089 10 0 BEAERO c1cc([C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000075868479 183388128 /nfs/dbraw/zinc/38/81/28/183388128.db2.gz CVKRXDMGVMQUHT-GFCCVEGCSA-N 1 0 213.284 2.297 10 0 BEAERO c1ccc(C2CC([NH2+]C3CCC3)C2)nc1 ZINC000308855267 183388980 /nfs/dbraw/zinc/38/89/80/183388980.db2.gz PRCLNWBXIDFBLA-UHFFFAOYSA-N 1 0 202.301 2.470 10 0 BEAERO CCC[NH2+][C@@H]1c2ccc(SC)cc2NC1=O ZINC000038063777 169290761 /nfs/dbraw/zinc/29/07/61/169290761.db2.gz BZSAHRKXXAWGAQ-LLVKDONJSA-N 1 0 236.340 2.401 10 0 BEAERO CCC[NH2+]C[C@H](C)Oc1ccc(OC)cc1 ZINC000052676498 169263321 /nfs/dbraw/zinc/26/33/21/169263321.db2.gz VHMSCVGBLWGCKR-NSHDSACASA-N 1 0 223.316 2.462 10 0 BEAERO c1ccc(C2CC([NH2+][C@H]3CCSC3)C2)nc1 ZINC000309689266 183390653 /nfs/dbraw/zinc/39/06/53/183390653.db2.gz PDAMUTSNGRYLQD-CXQJBGSLSA-N 1 0 234.368 2.423 10 0 BEAERO c1ccc(CCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000002390510 183391064 /nfs/dbraw/zinc/39/10/64/183391064.db2.gz WZZKBXAHCAZRAG-AWEZNQCLSA-N 1 0 219.328 2.388 10 0 BEAERO CCC[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000052377993 169264475 /nfs/dbraw/zinc/26/44/75/169264475.db2.gz ZTXGQEGXHMAJRE-OAHLLOKOSA-N 1 0 248.370 2.060 10 0 BEAERO CCC[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000020094097 169264722 /nfs/dbraw/zinc/26/47/22/169264722.db2.gz DYFAUNXYTGNUQK-CYBMUJFWSA-N 1 0 206.333 2.289 10 0 BEAERO CCC[NH2+]C[C@](C)(O)c1ccccc1OCC ZINC000033466237 169265018 /nfs/dbraw/zinc/26/50/18/169265018.db2.gz UQPSWSUNQPULGB-AWEZNQCLSA-N 1 0 237.343 2.292 10 0 BEAERO CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000061415086 169267466 /nfs/dbraw/zinc/26/74/66/169267466.db2.gz IXYCVCKOFHNHKY-UHFFFAOYSA-N 1 0 201.273 2.129 10 0 BEAERO CCC[NH2+]Cc1cccc(N2CC[C@@H](C)C2)n1 ZINC000051448257 169268039 /nfs/dbraw/zinc/26/80/39/169268039.db2.gz CVFBNTLTEJWYKJ-GFCCVEGCSA-N 1 0 233.359 2.427 10 0 BEAERO CCC[NH2+]Cc1ccccc1N(CCO)C1CC1 ZINC000042480341 169268387 /nfs/dbraw/zinc/26/83/87/169268387.db2.gz PQALERJIKZEUJR-UHFFFAOYSA-N 1 0 248.370 2.147 10 0 BEAERO CCC[NH2+]Cc1ccnc(N2CC[C@H](C)C2)c1 ZINC000051448332 169268451 /nfs/dbraw/zinc/26/84/51/169268451.db2.gz ZZTRSFCSVISAOL-LBPRGKRZSA-N 1 0 233.359 2.427 10 0 BEAERO CCC[NH2+]Cc1ccnc(-c2cccnc2)n1 ZINC000054791430 169268505 /nfs/dbraw/zinc/26/85/05/169268505.db2.gz SKVGOZSVKVHEPW-UHFFFAOYSA-N 1 0 228.299 2.038 10 0 BEAERO c1ccc(CN2CCC[C@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000076677925 183399505 /nfs/dbraw/zinc/39/95/05/183399505.db2.gz DOPZYHRIMKUAGC-GJZGRUSLSA-N 1 0 230.355 2.261 10 0 BEAERO CCC[NH2+][C@@H](C)CCCn1ccc(C)cc1=O ZINC000061909125 169274675 /nfs/dbraw/zinc/27/46/75/169274675.db2.gz ICOGPBMFRSLWNU-ZDUSSCGKSA-N 1 0 236.359 2.325 10 0 BEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1[C@@H]1CCOC1 ZINC000112174100 169275671 /nfs/dbraw/zinc/27/56/71/169275671.db2.gz LTMKKNQXXACDKL-MJBXVCDLSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[NH2+][C@@H](C)c1c(C)nn(CCOC)c1C ZINC000054718316 169275832 /nfs/dbraw/zinc/27/58/32/169275832.db2.gz YEOZKGHRNVNJAF-JTQLQIEISA-N 1 0 239.363 2.207 10 0 BEAERO CCC[NH2+][C@@H](C)c1nc(-c2cccnc2)no1 ZINC000109495243 169277465 /nfs/dbraw/zinc/27/74/65/169277465.db2.gz BPXIJLDIMUBSOA-VIFPVBQESA-N 1 0 232.287 2.192 10 0 BEAERO CCC[NH2+][C@@H](CN1C[C@H](C)CC1=O)C(C)(C)C ZINC000062816587 169278914 /nfs/dbraw/zinc/27/89/14/169278914.db2.gz NSQIOPOHZOLTBF-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO CCC[NH2+][C@@H](COC)Cc1cccc(OC)c1 ZINC000060697697 169279298 /nfs/dbraw/zinc/27/92/98/169279298.db2.gz VWPSXLLPKNBFQI-CYBMUJFWSA-N 1 0 237.343 2.252 10 0 BEAERO CCC[NH2+][C@@H]1CCC[C@H]1c1cnn(C)c1 ZINC000060716635 169281797 /nfs/dbraw/zinc/28/17/97/169281797.db2.gz MXJIKYDFURPWQY-NWDGAFQWSA-N 1 0 207.321 2.056 10 0 BEAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1cnn(C)c1 ZINC000060715807 169282022 /nfs/dbraw/zinc/28/20/22/169282022.db2.gz UBTGTXUQVXRFFH-CHWSQXEVSA-N 1 0 221.348 2.446 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccccc2COC)C1 ZINC000049508993 169283058 /nfs/dbraw/zinc/28/30/58/169283058.db2.gz LGCCGYVJXJTQMK-CQSZACIVSA-N 1 0 248.370 2.411 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049647879 169283062 /nfs/dbraw/zinc/28/30/62/169283062.db2.gz VKLWRWWAUWSXFV-CQSZACIVSA-N 1 0 246.354 2.408 10 0 BEAERO CCC[NH2+][C@@H]1COc2c1cccc2OC ZINC000035652574 169283127 /nfs/dbraw/zinc/28/31/27/169283127.db2.gz YJCGHWIIAAYJGU-SNVBAGLBSA-N 1 0 207.273 2.128 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccc(CC)cc2)C1=O ZINC000049647693 169283170 /nfs/dbraw/zinc/28/31/70/169283170.db2.gz KRAIHBVEVFLAIA-CQSZACIVSA-N 1 0 246.354 2.354 10 0 BEAERO c1ccc2c(c1)ccnc2N1CCC[NH2+]CC1 ZINC000071482721 183438555 /nfs/dbraw/zinc/43/85/55/183438555.db2.gz LHZBYHKFKCVCLT-UHFFFAOYSA-N 1 0 227.311 2.035 10 0 BEAERO CCCOc1cc(C[NH3+])ccc1OCC ZINC000020595445 169314494 /nfs/dbraw/zinc/31/44/94/169314494.db2.gz FHRMBMYOYSUORC-UHFFFAOYSA-N 1 0 209.289 2.333 10 0 BEAERO CCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000043988092 169291060 /nfs/dbraw/zinc/29/10/60/169291060.db2.gz BHDISSCSHSIICV-NWDGAFQWSA-N 1 0 207.321 2.366 10 0 BEAERO CCC[NH2+][C@H]1CCN(CC2CCCCC2)C1=O ZINC000049648092 169291567 /nfs/dbraw/zinc/29/15/67/169291567.db2.gz VHSJVIBJGVFTKC-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO CCC[NH2+][C@H]1CCN(CCC2CCCC2)C1=O ZINC000049648872 169291990 /nfs/dbraw/zinc/29/19/90/169291990.db2.gz AYRFAAAJFRMPCU-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO CCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000037241597 169292093 /nfs/dbraw/zinc/29/20/93/169292093.db2.gz CQMMMGCCPZRUGE-HNNXBMFYSA-N 1 0 232.371 2.303 10 0 BEAERO CCC[NH2+][C@H]1Cc2c(O)cccc2C[C@H]1C ZINC000040640764 169292290 /nfs/dbraw/zinc/29/22/90/169292290.db2.gz SRMYDECUJQRUEQ-MFKMUULPSA-N 1 0 219.328 2.495 10 0 BEAERO CCCOc1ccc([C@@H](CO)[NH2+]C2CC2)cc1 ZINC000052920679 169320913 /nfs/dbraw/zinc/32/09/13/169320913.db2.gz XFXIAXWGLUNAAC-CQSZACIVSA-N 1 0 235.327 2.261 10 0 BEAERO CCCOc1ccc([C@H](C)N2CC[NH2+]CC2)cc1 ZINC000038086583 169321248 /nfs/dbraw/zinc/32/12/48/169321248.db2.gz YDUODWIYZGPTIW-ZDUSSCGKSA-N 1 0 248.370 2.442 10 0 BEAERO CCCOc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000036965109 169321260 /nfs/dbraw/zinc/32/12/60/169321260.db2.gz OOHDOWNBFKCUFG-ZDUSSCGKSA-N 1 0 221.300 2.136 10 0 BEAERO c1ccc2c(c1)snc2OC[C@H]1CCC[NH2+]1 ZINC000095092686 183439690 /nfs/dbraw/zinc/43/96/90/183439690.db2.gz FJAZUVGGANTUSO-SECBINFHSA-N 1 0 234.324 2.427 10 0 BEAERO CCCOc1cccc([C@@H](C[NH3+])NC2CC2)c1 ZINC000052921295 169325880 /nfs/dbraw/zinc/32/58/80/169325880.db2.gz LRVYMEFATFMUQP-CQSZACIVSA-N 1 0 234.343 2.227 10 0 BEAERO CCCOc1cccc([C@H]([NH3+])CC(=O)OC)c1 ZINC000052920813 169326164 /nfs/dbraw/zinc/32/61/64/169326164.db2.gz DWKVJBOEDJCVJY-GFCCVEGCSA-N 1 0 237.299 2.038 10 0 BEAERO CCCOc1cccc2c1OCC[C@H]2[NH3+] ZINC000036928690 169326598 /nfs/dbraw/zinc/32/65/98/169326598.db2.gz DMSLUEZJEVGGLD-SNVBAGLBSA-N 1 0 207.273 2.258 10 0 BEAERO CCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019512702 169368877 /nfs/dbraw/zinc/36/88/77/169368877.db2.gz ZFSORHXQERCPTO-VOAKCMCISA-N 1 0 238.375 2.212 10 0 BEAERO CCC[C@@H](C)[NH2+]CCN1C[C@H](C)OC(C)(C)C1 ZINC000053435029 169370143 /nfs/dbraw/zinc/37/01/43/169370143.db2.gz XQENSJZGWPRLDZ-OLZOCXBDSA-N 1 0 242.407 2.264 10 0 BEAERO c1cn(CCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)nn1 ZINC000126647040 183467963 /nfs/dbraw/zinc/46/79/63/183467963.db2.gz RVTKPVOMKKFELF-KGLIPLIRSA-N 1 0 248.374 2.227 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038013861 169359083 /nfs/dbraw/zinc/35/90/83/169359083.db2.gz QBMDBGKCAKMOJF-NEPJUHHUSA-N 1 0 228.380 2.317 10 0 BEAERO CCC[C@@H](CC)NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000104118855 169375903 /nfs/dbraw/zinc/37/59/03/169375903.db2.gz QHMDSWHKTVGOGZ-CQSZACIVSA-N 1 0 248.370 2.383 10 0 BEAERO CCC[C@@H](CC)NC(=O)C1(CC)CC[NH2+]CC1 ZINC000062850228 169376024 /nfs/dbraw/zinc/37/60/24/169376024.db2.gz CMVKNBYMYBOUFI-GFCCVEGCSA-N 1 0 240.391 2.461 10 0 BEAERO CCC[C@@H](C[NH3+])N1CCc2ccccc21 ZINC000019256676 169383683 /nfs/dbraw/zinc/38/36/83/169383683.db2.gz XAJUAUPZLOEFAU-LBPRGKRZSA-N 1 0 204.317 2.177 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCCCSCC(C)C ZINC000236944395 169389478 /nfs/dbraw/zinc/38/94/78/169389478.db2.gz LPTNTNJIEVDICZ-LLVKDONJSA-N 1 0 246.420 2.009 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1F ZINC000036872741 169391827 /nfs/dbraw/zinc/39/18/27/169391827.db2.gz ROQGKQZCXGZMAL-SECBINFHSA-N 1 0 228.242 2.031 10 0 BEAERO CCC[C@@H]([NH3+])c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000019734000 169393721 /nfs/dbraw/zinc/39/37/21/169393721.db2.gz PCMAOZXIMMMZQC-MRVPVSSYSA-N 1 0 249.314 2.380 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000336737733 169418272 /nfs/dbraw/zinc/41/82/72/169418272.db2.gz NTXPQLQFAVZSGM-UTLUCORTSA-N 1 0 239.281 2.468 10 0 BEAERO c1nnc(CC[C@H]2CCCC[NH2+]2)n1C1CCCC1 ZINC000054526309 183551174 /nfs/dbraw/zinc/55/11/74/183551174.db2.gz IMQFWGZLFCHRBI-GFCCVEGCSA-N 1 0 248.374 2.468 10 0 BEAERO CCC[C@@](C)([NH3+])c1noc(C(F)(F)F)n1 ZINC000036765033 169453536 /nfs/dbraw/zinc/45/35/36/169453536.db2.gz QDQIIMATPNZODI-SSDOTTSWSA-N 1 0 223.198 2.062 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000336748839 169526921 /nfs/dbraw/zinc/52/69/21/169526921.db2.gz CZZJCCFOSGEFOD-NWDGAFQWSA-N 1 0 211.349 2.460 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccoc1C(=O)OC ZINC000224877572 134348510 /nfs/dbraw/zinc/34/85/10/134348510.db2.gz NCQLENVFLLFVAP-ONGXEEELSA-N 1 0 237.299 2.344 10 0 BEAERO CCC[C@]1(C(=O)N[C@@H](C)C(C)C)CCC[NH2+]C1 ZINC000062853262 169555156 /nfs/dbraw/zinc/55/51/56/169555156.db2.gz BUGSBVAWPATUAL-JSGCOSHPSA-N 1 0 240.391 2.317 10 0 BEAERO CCCc1ccccc1N1CC[C@@H](C[NH3+])C1 ZINC000049557928 169577140 /nfs/dbraw/zinc/57/71/40/169577140.db2.gz BRILFYNQKPGGSH-LBPRGKRZSA-N 1 0 218.344 2.424 10 0 BEAERO CCCc1nc(C)cc(C[C@@H]([NH3+])CC)n1 ZINC000054835740 169586772 /nfs/dbraw/zinc/58/67/72/169586772.db2.gz QZTXXKCXGKJVAZ-JTQLQIEISA-N 1 0 207.321 2.017 10 0 BEAERO CCCc1nc2cc(N)ccc2n1CC[NH+](C)C ZINC000052842599 169594580 /nfs/dbraw/zinc/59/45/80/169594580.db2.gz DBTMIAVQFBPHFW-UHFFFAOYSA-N 1 0 246.358 2.133 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225338172 134354728 /nfs/dbraw/zinc/35/47/28/134354728.db2.gz RSOCTRXOCVAOKO-RITPCOANSA-N 1 0 202.710 2.295 10 0 BEAERO CC[C@@H]1CN(CCOc2cccc(C)c2)CC[NH2+]1 ZINC000083379195 171084542 /nfs/dbraw/zinc/08/45/42/171084542.db2.gz SJKGOXPETFZJCD-CQSZACIVSA-N 1 0 248.370 2.058 10 0 BEAERO CCCn1c2ccc(OC)cc2nc1[C@@H](C)[NH3+] ZINC000074297639 169615534 /nfs/dbraw/zinc/61/55/34/169615534.db2.gz GQRKCHCKOZLTKR-SECBINFHSA-N 1 0 233.315 2.475 10 0 BEAERO CCCn1ncnc1CC1=C[C@H]([NH3+])CC(C)(C)C1 ZINC000088624430 169627155 /nfs/dbraw/zinc/62/71/55/169627155.db2.gz NSTQMPHZBGTNJH-LBPRGKRZSA-N 1 0 248.374 2.304 10 0 BEAERO CCC[C@H](C(=O)N1CCCC[C@H](C)C1)[NH+](C)C ZINC000184441570 134361208 /nfs/dbraw/zinc/36/12/08/134361208.db2.gz NXFAQASBJSTXNZ-QWHCGFSZSA-N 1 0 240.391 2.365 10 0 BEAERO CCN(c1ncccc1N)C1CCSCC1 ZINC000409434909 383839510 /nfs/dbraw/zinc/83/95/10/383839510.db2.gz RFVBCLGNAHEPAK-UHFFFAOYSA-N 1 0 237.372 2.386 10 0 BEAERO [NH3+]CCc1c(C2CCC2)[nH]nc1C(F)(F)F ZINC000409437473 383848534 /nfs/dbraw/zinc/84/85/34/383848534.db2.gz GXXCGWVNUVCWFM-UHFFFAOYSA-N 1 0 233.237 2.197 10 0 BEAERO Cn1cc(C[NH2+][C@@H]2CCc3c2cccc3F)cn1 ZINC000111356496 383858669 /nfs/dbraw/zinc/85/86/69/383858669.db2.gz GCMUSLGVBLXQDZ-CQSZACIVSA-N 1 0 245.301 2.336 10 0 BEAERO CCOCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852842 383913989 /nfs/dbraw/zinc/91/39/89/383913989.db2.gz HXGYEUVWOJKMEO-GFCCVEGCSA-N 1 0 221.300 2.006 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccn(C)c1 ZINC000126366361 383921093 /nfs/dbraw/zinc/92/10/93/383921093.db2.gz NTKAPCOSIFOKSP-ZIAGYGMSSA-N 1 0 236.359 2.176 10 0 BEAERO FC(F)(F)Oc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000036965116 383924996 /nfs/dbraw/zinc/92/49/96/383924996.db2.gz JMNHBVHPPNOGJS-SNVBAGLBSA-N 1 0 247.216 2.246 10 0 BEAERO C[C@@H]([NH2+]Cc1ncccc1Cl)[C@H]1CCCO1 ZINC000528441767 383889952 /nfs/dbraw/zinc/88/99/52/383889952.db2.gz APGDGYAGNMFERC-BXKDBHETSA-N 1 0 240.734 2.392 10 0 BEAERO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000113364353 383980595 /nfs/dbraw/zinc/98/05/95/383980595.db2.gz AKOASRORRSOBSG-LBPRGKRZSA-N 1 0 247.342 2.102 10 0 BEAERO CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089162087 383939374 /nfs/dbraw/zinc/93/93/74/383939374.db2.gz OBDIHVJPLONKEW-ZFWWWQNUSA-N 1 0 249.354 2.336 10 0 BEAERO [NH3+]CCc1n[nH]c2cc(C(F)(F)F)ccc21 ZINC000089195945 383940337 /nfs/dbraw/zinc/94/03/37/383940337.db2.gz ADZKUSFAISZWRX-UHFFFAOYSA-N 1 0 229.205 2.083 10 0 BEAERO CC(C)(C)OC(=O)N1CCc2c1cccc2C[NH3+] ZINC000089209463 383947169 /nfs/dbraw/zinc/94/71/69/383947169.db2.gz OCAHAEBOBODBIL-UHFFFAOYSA-N 1 0 248.326 2.443 10 0 BEAERO [NH3+][C@@H]1CCN(c2ccnc3ccc(Cl)cc32)C1 ZINC000073738698 384020838 /nfs/dbraw/zinc/02/08/38/384020838.db2.gz YJHDYEIRTSPMLR-SNVBAGLBSA-N 1 0 247.729 2.426 10 0 BEAERO [NH3+]CCc1ccc(C(=O)c2ccccc2)s1 ZINC000090397693 384043901 /nfs/dbraw/zinc/04/39/01/384043901.db2.gz GBKPVYAGDYSHAG-UHFFFAOYSA-N 1 0 231.320 2.480 10 0 BEAERO [NH3+]CCc1ccc(C(=O)c2ccoc2)s1 ZINC000090397698 384044535 /nfs/dbraw/zinc/04/45/35/384044535.db2.gz RCSTXCCCJWNLSX-UHFFFAOYSA-N 1 0 221.281 2.073 10 0 BEAERO [NH3+]Cc1ccc(C(=O)c2ccoc2)s1 ZINC000090397613 384044935 /nfs/dbraw/zinc/04/49/35/384044935.db2.gz QCBTXSONRBFUQV-UHFFFAOYSA-N 1 0 207.254 2.031 10 0 BEAERO C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)[C@@H]1CCCO1 ZINC000299016165 384091871 /nfs/dbraw/zinc/09/18/71/384091871.db2.gz QXZWESNWTQLCOL-YUELXQCFSA-N 1 0 249.354 2.267 10 0 BEAERO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH2+]C3)cc1 ZINC000038343406 384081327 /nfs/dbraw/zinc/08/13/27/384081327.db2.gz WJNTXJZFBOWQPF-UONOGXRCSA-N 1 0 216.328 2.013 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401839829 384098548 /nfs/dbraw/zinc/09/85/48/384098548.db2.gz QPTGXCRSJJBSOK-IPYPFGDCSA-N 1 0 249.354 2.359 10 0 BEAERO C[C@@]1([NH3+])CC=C(c2ccccc2)[C@@](C)(O)C1 ZINC000039109451 384106724 /nfs/dbraw/zinc/10/67/24/384106724.db2.gz AEJGYFICVMFGCY-KGLIPLIRSA-N 1 0 217.312 2.332 10 0 BEAERO CNc1cccc(OC2CC[NH+](C)CC2)c1 ZINC000039110279 384106788 /nfs/dbraw/zinc/10/67/88/384106788.db2.gz QZVRZUCDMLNBTR-UHFFFAOYSA-N 1 0 220.316 2.201 10 0 BEAERO Cc1csc(C(=O)C2CC[NH2+]CC2)c1 ZINC000039105789 384106838 /nfs/dbraw/zinc/10/68/38/384106838.db2.gz NJOWIXWVLMRYHN-UHFFFAOYSA-N 1 0 209.314 2.239 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)[C@@H]1CCOC1 ZINC000310288820 384116666 /nfs/dbraw/zinc/11/66/66/384116666.db2.gz IBGBMMDGIVYJMS-RQJABVFESA-N 1 0 241.375 2.085 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]CC1CCOCC1 ZINC000070528491 384117531 /nfs/dbraw/zinc/11/75/31/384117531.db2.gz MRSCAPVFLQLHNH-ZDUSSCGKSA-N 1 0 233.311 2.136 10 0 BEAERO Cn1ccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000091008880 384094160 /nfs/dbraw/zinc/09/41/60/384094160.db2.gz BVAQAWCQVYKIIU-ZDUSSCGKSA-N 1 0 228.295 2.248 10 0 BEAERO C[NH+](C)CCCn1sc2ccccc2c1=O ZINC000005688868 384128233 /nfs/dbraw/zinc/12/82/33/384128233.db2.gz OGWXHSCYJOUWCU-UHFFFAOYSA-N 1 0 236.340 2.015 10 0 BEAERO Cn1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000116318611 384128242 /nfs/dbraw/zinc/12/82/42/384128242.db2.gz JYQBFEOPZIVCEJ-AWEZNQCLSA-N 1 0 241.338 2.410 10 0 BEAERO [NH3+]Cc1cn(-c2cc(Cl)ccc2Cl)nn1 ZINC000050224162 384163798 /nfs/dbraw/zinc/16/37/98/384163798.db2.gz GEGNDAWQYZAVAT-UHFFFAOYSA-N 1 0 243.097 2.033 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)CO1 ZINC000401866144 384164775 /nfs/dbraw/zinc/16/47/75/384164775.db2.gz VIIBIVXSHDFTDV-MDZLAQPJSA-N 1 0 233.311 2.277 10 0 BEAERO CC1(C)SC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000309754864 384171126 /nfs/dbraw/zinc/17/11/26/384171126.db2.gz HJFAZQBRCUFAIE-GXSJLCMTSA-N 1 0 237.372 2.271 10 0 BEAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1CO ZINC000132240811 384222496 /nfs/dbraw/zinc/22/24/96/384222496.db2.gz LVGLSHAECRMYOL-DZGCQCFKSA-N 1 0 233.355 2.322 10 0 BEAERO CCc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000119051400 384228751 /nfs/dbraw/zinc/22/87/51/384228751.db2.gz VTEZOINAAVABGD-ZDUSSCGKSA-N 1 0 246.354 2.073 10 0 BEAERO CC(C)[C@H]([NH2+]CCO)c1ccc(F)c(F)c1 ZINC000132397447 384228798 /nfs/dbraw/zinc/22/87/98/384228798.db2.gz VFCOCBMNRGEVOE-LBPRGKRZSA-N 1 0 229.270 2.244 10 0 BEAERO Cc1ccc(O)c(C[NH+]2C[C@H](C)[C@@H](C)C2)n1 ZINC000132752324 384248987 /nfs/dbraw/zinc/24/89/87/384248987.db2.gz MAAAYZDEEFLEDW-UWVGGRQHSA-N 1 0 220.316 2.183 10 0 BEAERO CC(C)[NH2+]CCCNc1cnc2ccccc2n1 ZINC000518738557 384251458 /nfs/dbraw/zinc/25/14/58/384251458.db2.gz ZOQPWSCWHJOEMW-UHFFFAOYSA-N 1 0 244.342 2.430 10 0 BEAERO COCc1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1 ZINC000093606933 384251866 /nfs/dbraw/zinc/25/18/66/384251866.db2.gz ZQWUKMQESBZDNS-CHWSQXEVSA-N 1 0 249.354 2.442 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)cn1 ZINC000385089104 384257751 /nfs/dbraw/zinc/25/77/51/384257751.db2.gz JKWYQPVJOHCFNM-VXNVDRBHSA-N 1 0 245.248 2.026 10 0 BEAERO C[C@H](C[NH2+]CCn1ccnc1)Cc1ccccc1 ZINC000132905309 384261617 /nfs/dbraw/zinc/26/16/17/384261617.db2.gz LOVRCGKNKCJEFU-AWEZNQCLSA-N 1 0 243.354 2.352 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H]1CCCN(CC)C1 ZINC000040502510 384270098 /nfs/dbraw/zinc/27/00/98/384270098.db2.gz XVLQHBMVDIJLFA-STQMWFEESA-N 1 0 212.381 2.497 10 0 BEAERO CCCC(CCC)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309461098 384286202 /nfs/dbraw/zinc/28/62/02/384286202.db2.gz NWIGSYYGIFWFAF-JQWIXIFHSA-N 1 0 226.364 2.212 10 0 BEAERO Cc1[nH+]ccc(NC[C@@H]2CCC[C@@H]2O)c1Cl ZINC000335557942 384322979 /nfs/dbraw/zinc/32/29/79/384322979.db2.gz YZJRXFCIMZELKG-ONGXEEELSA-N 1 0 240.734 2.038 10 0 BEAERO C[C@](O)(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000011803559 384299056 /nfs/dbraw/zinc/29/90/56/384299056.db2.gz SEGJJVZNEAFLLY-VIFPVBQESA-N 1 0 220.099 2.160 10 0 BEAERO CCC[C@H](C(=O)Nc1cccc(C)n1)[NH+](C)C ZINC000159103230 384302684 /nfs/dbraw/zinc/30/26/84/384302684.db2.gz KOVYAJZTMXPVDV-LLVKDONJSA-N 1 0 235.331 2.059 10 0 BEAERO Clc1ccnc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000095070165 384336934 /nfs/dbraw/zinc/33/69/34/384336934.db2.gz CGYCIEDRGJTQMM-SECBINFHSA-N 1 0 241.722 2.041 10 0 BEAERO CN(C[C@@H]1CCC[NH2+]1)c1nc2ccccc2s1 ZINC000095070984 384339598 /nfs/dbraw/zinc/33/95/98/384339598.db2.gz DOYHFQSEYVABBH-JTQLQIEISA-N 1 0 247.367 2.485 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1NCc1cnc(Cl)s1 ZINC000095072296 384342663 /nfs/dbraw/zinc/34/26/63/384342663.db2.gz FGJWOBDSUVQGJH-IUCAKERBSA-N 1 0 245.779 2.156 10 0 BEAERO FC(F)(F)N(C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000095076933 384353617 /nfs/dbraw/zinc/35/36/17/384353617.db2.gz YDJRGEDDWPDUAP-MRVPVSSYSA-N 1 0 222.254 2.113 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000300358044 384357805 /nfs/dbraw/zinc/35/78/05/384357805.db2.gz BAOUMAKRZSBJQF-LPWJVIDDSA-N 1 0 210.365 2.247 10 0 BEAERO c1ccc2[nH]c(OCCC3CC[NH2+]CC3)nc2c1 ZINC000095092502 384360717 /nfs/dbraw/zinc/36/07/17/384360717.db2.gz DKCDKGYYVVNPFH-UHFFFAOYSA-N 1 0 245.326 2.331 10 0 BEAERO c1ccc(CSC[C@H]2CCCC[NH2+]2)nc1 ZINC000095092737 384362394 /nfs/dbraw/zinc/36/23/94/384362394.db2.gz ZIAFIDGKISHMEL-GFCCVEGCSA-N 1 0 222.357 2.457 10 0 BEAERO c1csc(OCCC[C@H]2CCCC[NH2+]2)n1 ZINC000095092528 384363434 /nfs/dbraw/zinc/36/34/34/384363434.db2.gz UTBDCGPZNCJTSI-SNVBAGLBSA-N 1 0 226.345 2.444 10 0 BEAERO c1csc(OCCC[C@H]2CCC[NH2+]C2)n1 ZINC000095092530 384363490 /nfs/dbraw/zinc/36/34/90/384363490.db2.gz LUEPWXRFFHZPKZ-SNVBAGLBSA-N 1 0 226.345 2.302 10 0 BEAERO c1ccc(CS[C@H]2CCC[NH2+]C2)nc1 ZINC000095092726 384363719 /nfs/dbraw/zinc/36/37/19/384363719.db2.gz RHVZBOQANICPKF-NSHDSACASA-N 1 0 208.330 2.067 10 0 BEAERO c1ccc2c(c1)snc2N[C@H]1CC[NH2+]C1 ZINC000095092772 384363968 /nfs/dbraw/zinc/36/39/68/384363968.db2.gz KBTGBXRNBBIGSJ-QMMMGPOBSA-N 1 0 219.313 2.070 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]C1CC(c2ccccn2)C1 ZINC000308828678 384329924 /nfs/dbraw/zinc/32/99/24/384329924.db2.gz FKJDPAVXIJJFTN-ZUYNKMSQSA-N 1 0 202.301 2.326 10 0 BEAERO [NH3+]Cc1cnc(Cl)c(C(F)(F)F)c1 ZINC000095763853 384395086 /nfs/dbraw/zinc/39/50/86/384395086.db2.gz YHPFQGOGRQGILK-UHFFFAOYSA-N 1 0 210.586 2.213 10 0 BEAERO Cc1ccc(CNc2[nH+]ccn2C)cc1 ZINC000050605739 384398609 /nfs/dbraw/zinc/39/86/09/384398609.db2.gz JGSIWESSWDNUHC-UHFFFAOYSA-N 1 0 201.273 2.341 10 0 BEAERO CC[N@H+](CCc1nccs1)[C@@H](C)COC ZINC000121194306 384400914 /nfs/dbraw/zinc/40/09/14/384400914.db2.gz WNXIGOVJZSEHAK-JTQLQIEISA-N 1 0 228.361 2.042 10 0 BEAERO Clc1ccc(-c2n[nH]c3c2C[NH2+]CC3)s1 ZINC000077385380 384404092 /nfs/dbraw/zinc/40/40/92/384404092.db2.gz WPZNXHBUTZBHNB-UHFFFAOYSA-N 1 0 239.731 2.437 10 0 BEAERO CC[C@H](O)CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000135026330 384405707 /nfs/dbraw/zinc/40/57/07/384405707.db2.gz IYWKDASJWJZFEI-ZDUSSCGKSA-N 1 0 237.343 2.260 10 0 BEAERO [NH3+][C@H]1CSC=C2C=CC(Br)=C[C@H]21 ZINC000095921495 384406970 /nfs/dbraw/zinc/40/69/70/384406970.db2.gz RSTPUNCMLHKZJC-BDAKNGLRSA-N 1 0 244.157 2.409 10 0 BEAERO [NH3+][C@@H]1CSC=C2C=CC(Br)=C[C@@H]21 ZINC000095921498 384407865 /nfs/dbraw/zinc/40/78/65/384407865.db2.gz RSTPUNCMLHKZJC-DTWKUNHWSA-N 1 0 244.157 2.409 10 0 BEAERO CC(=O)Nc1c2nc[nH]c2cc(C)c1C ZINC000045808982 384408342 /nfs/dbraw/zinc/40/83/42/384408342.db2.gz LWPCXAPRFTUNLN-UHFFFAOYSA-N 1 0 203.245 2.138 10 0 BEAERO CCOc1cnc2ccccc2c1C[NH3+] ZINC000095942523 384419906 /nfs/dbraw/zinc/41/99/06/384419906.db2.gz URDAJXLRZYEZBH-UHFFFAOYSA-N 1 0 202.257 2.092 10 0 BEAERO [NH3+]Cc1cccc(-c2cn3ccccc3n2)c1 ZINC000096032473 384420660 /nfs/dbraw/zinc/42/06/60/384420660.db2.gz MLFVLGFPPWFSEH-UHFFFAOYSA-N 1 0 223.279 2.460 10 0 BEAERO CCSCCN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175343139 384424689 /nfs/dbraw/zinc/42/46/89/384424689.db2.gz AAJYAXWBYQMGLC-GFCCVEGCSA-N 1 0 230.421 2.156 10 0 BEAERO [NH3+][C@@H]1CCOc2c(Cl)ccc(F)c21 ZINC000095639108 384385323 /nfs/dbraw/zinc/38/53/23/384385323.db2.gz REXMYOGKXMUMRV-SSDOTTSWSA-N 1 0 201.628 2.261 10 0 BEAERO C[C@H]1CCCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000648168702 384445967 /nfs/dbraw/zinc/44/59/67/384445967.db2.gz KHDLWUOMEUMIFS-HIFPTAJRSA-N 1 0 238.375 2.153 10 0 BEAERO CN(c1ccc2ccccc2n1)C1CC([NH3+])C1 ZINC000335659858 384461239 /nfs/dbraw/zinc/46/12/39/384461239.db2.gz LUCHPCMBZKMPNY-UHFFFAOYSA-N 1 0 227.311 2.161 10 0 BEAERO CCCCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000149031141 384473592 /nfs/dbraw/zinc/47/35/92/384473592.db2.gz RLUFBJYKBANSTN-UHFFFAOYSA-N 1 0 238.375 2.263 10 0 BEAERO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309555457 384504832 /nfs/dbraw/zinc/50/48/32/384504832.db2.gz JOISDJNZADKLTF-FIQHERPVSA-N 1 0 243.416 2.389 10 0 BEAERO Cc1csc(C[NH2+][C@H]2CCCSC2)n1 ZINC000061588877 384519490 /nfs/dbraw/zinc/51/94/90/384519490.db2.gz HCFMNDSBPPGXLO-VIFPVBQESA-N 1 0 228.386 2.437 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)CCOc1ccccc1 ZINC000123028149 384532095 /nfs/dbraw/zinc/53/20/95/384532095.db2.gz SNKCSRIMMWNJCE-AWEZNQCLSA-N 1 0 237.343 2.158 10 0 BEAERO C[C@@H]([NH3+])c1csc([C@@H]2CCSC2)n1 ZINC000258273216 384550703 /nfs/dbraw/zinc/55/07/03/384550703.db2.gz YAHIJISSFQQXMM-RNFRBKRXSA-N 1 0 214.359 2.383 10 0 BEAERO C[C@@H]([NH3+])c1cnc([C@H]2CCSC2)s1 ZINC000258279424 384550716 /nfs/dbraw/zinc/55/07/16/384550716.db2.gz YKBMSSGTCQSPEW-RQJHMYQMSA-N 1 0 214.359 2.383 10 0 BEAERO CCCCOCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085636399 384551529 /nfs/dbraw/zinc/55/15/29/384551529.db2.gz OTZUEAPSEPREFJ-AVGNSLFASA-N 1 0 241.375 2.206 10 0 BEAERO CC(C)=CC[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000372996748 384537913 /nfs/dbraw/zinc/53/79/13/384537913.db2.gz LZUYPPLCETZIAK-GFCCVEGCSA-N 1 0 225.332 2.228 10 0 BEAERO C[C@@H]([NH3+])[C@@](C)(O)c1ccc(Br)cc1 ZINC000258372398 384571778 /nfs/dbraw/zinc/57/17/78/384571778.db2.gz WTOYRYGRQQRSIN-GMSGAONNSA-N 1 0 244.132 2.004 10 0 BEAERO [NH3+]C1(C(=O)c2cccc(Br)c2)CC1 ZINC000258398050 384577081 /nfs/dbraw/zinc/57/70/81/384577081.db2.gz ZMJCFGSKBQOUFF-UHFFFAOYSA-N 1 0 240.100 2.123 10 0 BEAERO CCN(CC)CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000363472815 384585376 /nfs/dbraw/zinc/58/53/76/384585376.db2.gz UUSTZXDTZFOSFS-ZDUSSCGKSA-N 1 0 210.365 2.203 10 0 BEAERO CCN(CC)CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000363472814 384585862 /nfs/dbraw/zinc/58/58/62/384585862.db2.gz UUSTZXDTZFOSFS-CYBMUJFWSA-N 1 0 210.365 2.203 10 0 BEAERO COC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000020262412 384607239 /nfs/dbraw/zinc/60/72/39/384607239.db2.gz ROHHPXSZRZTEOZ-SECBINFHSA-N 1 0 219.206 2.352 10 0 BEAERO Cc1ccc(O)c(C[NH2+]Cc2ccccc2)n1 ZINC000103340700 384609341 /nfs/dbraw/zinc/60/93/41/384609341.db2.gz XLLNWNLZJYFDFA-UHFFFAOYSA-N 1 0 228.295 2.385 10 0 BEAERO C[C@H](CC[NH2+][C@H]1CCCNC1=O)c1ccccc1 ZINC000050395562 384621596 /nfs/dbraw/zinc/62/15/96/384621596.db2.gz SHCLVFNRVFDPDF-OCCSQVGLSA-N 1 0 246.354 2.048 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]CC2CC(O)C2)[C@H](C)C1 ZINC000084447195 384624694 /nfs/dbraw/zinc/62/46/94/384624694.db2.gz DLWVMQLWJSFYKP-LQVBTDEGSA-N 1 0 211.349 2.172 10 0 BEAERO FC1(F)CCCC[C@H]1C[NH+]1CCOCC1 ZINC000336144878 384631531 /nfs/dbraw/zinc/63/15/31/384631531.db2.gz XKKJAURRTLYPOO-JTQLQIEISA-N 1 0 219.275 2.144 10 0 BEAERO [NH3+]C[C@]1(Cc2ccc(F)cc2)CCCC1=O ZINC000098095948 384593270 /nfs/dbraw/zinc/59/32/70/384593270.db2.gz OTMCKAUGMQNWCK-CYBMUJFWSA-N 1 0 221.275 2.066 10 0 BEAERO Cc1nc(C[C@@H]2CCC[N@@H+](C(C)C)C2)no1 ZINC000103230659 384601926 /nfs/dbraw/zinc/60/19/26/384601926.db2.gz QDTYLFWPGZRPMD-NSHDSACASA-N 1 0 223.320 2.041 10 0 BEAERO CCNC(=O)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000160219190 384662854 /nfs/dbraw/zinc/66/28/54/384662854.db2.gz RJRRDLHCTABPRE-GFCCVEGCSA-N 1 0 234.343 2.172 10 0 BEAERO COC[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000045657346 384665465 /nfs/dbraw/zinc/66/54/65/384665465.db2.gz AQRSJSQVCDYMLN-GXFFZTMASA-N 1 0 235.327 2.252 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(O)c(Br)c1 ZINC000061699359 384670464 /nfs/dbraw/zinc/67/04/64/384670464.db2.gz UKUJPKNPPSVNSG-LURJTMIESA-N 1 0 230.105 2.435 10 0 BEAERO C[C@@H]([NH3+])Cc1nc2c(s1)C[C@H](C)CC2 ZINC000011883673 384674202 /nfs/dbraw/zinc/67/42/02/384674202.db2.gz GYEXSCNUZQSGJM-HTQZYQBOSA-N 1 0 210.346 2.158 10 0 BEAERO [NH3+][C@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1 ZINC000082360259 384674772 /nfs/dbraw/zinc/67/47/72/384674772.db2.gz YESKNPSBHPOEBT-JQWIXIFHSA-N 1 0 225.719 2.246 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ncc(Cl)cc1F ZINC000086711299 384674791 /nfs/dbraw/zinc/67/47/91/384674791.db2.gz SNGSETRVSUWBRI-VIFPVBQESA-N 1 0 231.702 2.269 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000090234913 384638384 /nfs/dbraw/zinc/63/83/84/384638384.db2.gz PEJYVBQJOCDYIZ-DYEKYZERSA-N 1 0 224.392 2.493 10 0 BEAERO CO[C@H](C[NH2+]C(C)C)COc1cccc(C)c1 ZINC000169330078 384675144 /nfs/dbraw/zinc/67/51/44/384675144.db2.gz OCGZTJVEARZTPH-CQSZACIVSA-N 1 0 237.343 2.387 10 0 BEAERO Cc1ccc(O[C@@H](C)C[NH3+])c(Br)c1 ZINC000011946618 384725715 /nfs/dbraw/zinc/72/57/15/384725715.db2.gz VTPWGWKDPSBUOT-QMMMGPOBSA-N 1 0 244.132 2.484 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000124897378 384682139 /nfs/dbraw/zinc/68/21/39/384682139.db2.gz GIXREZWGTOHKIR-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO c1ccc2c(c1)OCC[C@@H]2[C@H]1CCC[NH2+]1 ZINC000082556933 384692760 /nfs/dbraw/zinc/69/27/60/384692760.db2.gz KUXRXHCUFYNCTC-CMPLNLGQSA-N 1 0 203.285 2.305 10 0 BEAERO c1ccc2sc(OC[C@H]3CC[NH2+]C3)nc2c1 ZINC000051889082 384699474 /nfs/dbraw/zinc/69/94/74/384699474.db2.gz XEIKZOTUDNNWBW-VIFPVBQESA-N 1 0 234.324 2.285 10 0 BEAERO Cc1ccnc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000051918512 384700937 /nfs/dbraw/zinc/70/09/37/384700937.db2.gz GQJYTUZEYAZZAD-GFCCVEGCSA-N 1 0 220.316 2.159 10 0 BEAERO CCC[C@H](CC)[NH2+]CCn1cc(C)cn1 ZINC000125815266 384712207 /nfs/dbraw/zinc/71/22/07/384712207.db2.gz SQRSRCUVFQBOOO-LBPRGKRZSA-N 1 0 209.337 2.360 10 0 BEAERO C[C@H]1Oc2c(cc(Br)cc2F)[C@@H]1[NH3+] ZINC000043634305 384716915 /nfs/dbraw/zinc/71/69/15/384716915.db2.gz CJFMUEWOSUPUCM-SPGJFGJESA-N 1 0 246.079 2.369 10 0 BEAERO C[C@H]1Oc2c(cccc2Br)[C@@H]1[NH3+] ZINC000043634678 384718114 /nfs/dbraw/zinc/71/81/14/384718114.db2.gz HLPWSUNIMSZLKN-SVGQVSJJSA-N 1 0 228.089 2.230 10 0 BEAERO CCCC[NH2+]Cc1cc(OC)cc(C)n1 ZINC000125954976 384722124 /nfs/dbraw/zinc/72/21/24/384722124.db2.gz YUQLMCCJFMCEDN-UHFFFAOYSA-N 1 0 208.305 2.288 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C(C)(C)C ZINC000310002919 384777420 /nfs/dbraw/zinc/77/74/20/384777420.db2.gz FMRHAAFOYFBNDF-MNOVXSKESA-N 1 0 226.364 2.022 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)C(C)(C)C ZINC000310002921 384777704 /nfs/dbraw/zinc/77/77/04/384777704.db2.gz FMRHAAFOYFBNDF-QWRGUYRKSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@H]1Sc2c(cc(F)cc2F)[C@H]1[NH3+] ZINC000043636130 384728288 /nfs/dbraw/zinc/72/82/88/384728288.db2.gz QIJCZAJCUQGCOK-VHWMUFPASA-N 1 0 201.241 2.459 10 0 BEAERO C[C@@H]1Sc2cc(F)c(F)cc2[C@@H]1[NH3+] ZINC000043636041 384728474 /nfs/dbraw/zinc/72/84/74/384728474.db2.gz OUOGPHPRMJHWJU-AJAUBTJJSA-N 1 0 201.241 2.459 10 0 BEAERO C[C@@H]([NH3+])CCc1ccc(F)c(F)c1F ZINC000044463488 384734176 /nfs/dbraw/zinc/73/41/76/384734176.db2.gz XSNNAHJLUIFEOL-ZCFIWIBFSA-N 1 0 203.207 2.384 10 0 BEAERO Cc1cc[nH+]c(NC[C@H]2CCCC[C@H]2O)c1 ZINC000082997331 384737416 /nfs/dbraw/zinc/73/74/16/384737416.db2.gz LJCHGQJSLZRCNB-VXGBXAGGSA-N 1 0 220.316 2.353 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)NCC ZINC000309698578 384739194 /nfs/dbraw/zinc/73/91/94/384739194.db2.gz LVQCMODSLSMVPP-TUAOUCFPSA-N 1 0 226.364 2.069 10 0 BEAERO N[C@@H](C[NH3+])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000044473139 384740863 /nfs/dbraw/zinc/74/08/63/384740863.db2.gz NWSOYVDAPWCURP-QMMMGPOBSA-N 1 0 238.640 2.317 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000174002688 384743574 /nfs/dbraw/zinc/74/35/74/384743574.db2.gz OCKMMPPGAJHPPL-MNOVXSKESA-N 1 0 242.363 2.240 10 0 BEAERO CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1 ZINC000125746668 384744868 /nfs/dbraw/zinc/74/48/68/384744868.db2.gz PXBLRNUWVSVHKL-RYUDHWBXSA-N 1 0 221.344 2.356 10 0 BEAERO CCc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)cc1 ZINC000125747089 384746908 /nfs/dbraw/zinc/74/69/08/384746908.db2.gz PXBLRNUWVSVHKL-NEPJUHHUSA-N 1 0 221.344 2.356 10 0 BEAERO C[C@@H]([NH2+]C[C@H](C)CO)c1cc(F)ccc1F ZINC000083215461 384751430 /nfs/dbraw/zinc/75/14/30/384751430.db2.gz DDAKQAVSPSANPX-DTWKUNHWSA-N 1 0 229.270 2.244 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnn(C)c1C ZINC000126277738 384758020 /nfs/dbraw/zinc/75/80/20/384758020.db2.gz MEOFCEJVBWGTEN-ZYHUDNBSSA-N 1 0 207.321 2.007 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnn(C)c1C ZINC000126277230 384759313 /nfs/dbraw/zinc/75/93/13/384759313.db2.gz MEOFCEJVBWGTEN-PWSUYJOCSA-N 1 0 207.321 2.007 10 0 BEAERO COC(=O)CCCC[NH2+]Cc1ccccc1 ZINC000083351363 384761848 /nfs/dbraw/zinc/76/18/48/384761848.db2.gz WDDGGVGTJOBNAB-UHFFFAOYSA-N 1 0 221.300 2.120 10 0 BEAERO C[NH2+][C@H](C)c1nc2c(cccc2Cl)[nH]1 ZINC000054053036 384819663 /nfs/dbraw/zinc/81/96/63/384819663.db2.gz KUTYQIMAPPCDHQ-ZCFIWIBFSA-N 1 0 209.680 2.497 10 0 BEAERO CC(C)C[C@@H](N)C[N@H+](CC(C)C)C1CC1 ZINC000042559920 384824849 /nfs/dbraw/zinc/82/48/49/384824849.db2.gz SDMJPONKCLGTER-GFCCVEGCSA-N 1 0 212.381 2.480 10 0 BEAERO CCCC[N@@H+]1CCN(CCOCC)[C@H](CC)C1 ZINC000105838630 384805030 /nfs/dbraw/zinc/80/50/30/384805030.db2.gz STHUTFYTJQZVNJ-CQSZACIVSA-N 1 0 242.407 2.219 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398115151 384806792 /nfs/dbraw/zinc/80/67/92/384806792.db2.gz YTJUZXSXDNOCFN-YPMHNXCESA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1CCF)[S@](C)=O ZINC000309762253 384814459 /nfs/dbraw/zinc/81/44/59/384814459.db2.gz MVRVOMNAKMQXQB-JBBSTSQOSA-N 1 0 249.395 2.261 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+]CCn1cccn1 ZINC000336672764 384846543 /nfs/dbraw/zinc/84/65/43/384846543.db2.gz HKZJHSOROMKXSK-VXGBXAGGSA-N 1 0 225.311 2.001 10 0 BEAERO [NH3+]C[C@H](Oc1cc(F)cc(F)c1)C(F)(F)F ZINC000054932130 384863146 /nfs/dbraw/zinc/86/31/46/384863146.db2.gz BLEFJXONLOHTLA-QMMMGPOBSA-N 1 0 241.159 2.233 10 0 BEAERO CC(C)(CC[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000258933699 384951484 /nfs/dbraw/zinc/95/14/84/384951484.db2.gz VRMHGLQJPMSBJI-UHFFFAOYSA-N 1 0 228.286 2.182 10 0 BEAERO [NH3+]C[C@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000071522150 384953489 /nfs/dbraw/zinc/95/34/89/384953489.db2.gz NRNKEWMXHWUYFB-SSDOTTSWSA-N 1 0 220.099 2.028 10 0 BEAERO C[C@H](CO)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000085527308 384953820 /nfs/dbraw/zinc/95/38/20/384953820.db2.gz VZFAHARCGRLZCQ-XCBNKYQSSA-N 1 0 244.132 2.077 10 0 BEAERO C/C=C/C=C\C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000255709969 384956576 /nfs/dbraw/zinc/95/65/76/384956576.db2.gz ZJLALANTRJYGGM-KRAZTWLPSA-N 1 0 236.359 2.061 10 0 BEAERO CC1(C)CCCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000086845944 384894772 /nfs/dbraw/zinc/89/47/72/384894772.db2.gz GXBSGELILZIDCB-HTAVTVPLSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)CC[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000364611575 384897100 /nfs/dbraw/zinc/89/71/00/384897100.db2.gz YZMDLFKGGFRKBS-LBPRGKRZSA-N 1 0 221.348 2.081 10 0 BEAERO CCOc1cc(C[NH3+])cc(OCC)c1C ZINC000575721871 384898806 /nfs/dbraw/zinc/89/88/06/384898806.db2.gz XLKUOXFPHYNYLN-UHFFFAOYSA-N 1 0 209.289 2.251 10 0 BEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccco1 ZINC000248526389 384905111 /nfs/dbraw/zinc/90/51/11/384905111.db2.gz FIHOEBROSDWAIR-JBLDHEPKSA-N 1 0 209.289 2.498 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+][C@@H](C)CC1CC1 ZINC000127599571 384905873 /nfs/dbraw/zinc/90/58/73/384905873.db2.gz KHCOFFRSYCWJOZ-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO CCCc1nnc(NCC[N@H+](C)C(C)C)s1 ZINC000301662940 384908391 /nfs/dbraw/zinc/90/83/91/384908391.db2.gz KROLOPQMAWBKQW-UHFFFAOYSA-N 1 0 242.392 2.243 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187203852 384923715 /nfs/dbraw/zinc/92/37/15/384923715.db2.gz LAWXUOAEPXQNQA-GXFFZTMASA-N 1 0 244.338 2.094 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187203796 384924016 /nfs/dbraw/zinc/92/40/16/384924016.db2.gz LAWXUOAEPXQNQA-MFKMUULPSA-N 1 0 244.338 2.094 10 0 BEAERO C[C@H]([NH3+])c1cnc([C@H]2CCSC2)s1 ZINC000258279415 384930691 /nfs/dbraw/zinc/93/06/91/384930691.db2.gz YKBMSSGTCQSPEW-BQBZGAKWSA-N 1 0 214.359 2.383 10 0 BEAERO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1COC1 ZINC000376862586 384935207 /nfs/dbraw/zinc/93/52/07/384935207.db2.gz YHVUAORSDLVZST-GDLCADMTSA-N 1 0 217.312 2.167 10 0 BEAERO Cc1ccc(N2CCCC[C@@H]2C[NH3+])cc1 ZINC000106883717 384935680 /nfs/dbraw/zinc/93/56/80/384935680.db2.gz BRJAFVJIKBQMRA-CYBMUJFWSA-N 1 0 204.317 2.313 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000087289965 384941057 /nfs/dbraw/zinc/94/10/57/384941057.db2.gz BDRFIKHOALFYLS-WCQYABFASA-N 1 0 222.332 2.415 10 0 BEAERO Cc1sccc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000306430672 384941807 /nfs/dbraw/zinc/94/18/07/384941807.db2.gz QKOBIMSAUODISO-KCJUWKMLSA-N 1 0 211.330 2.324 10 0 BEAERO c1ccc([C@H]2CC[C@H]([NH2+]C3COC3)C2)cc1 ZINC000367897341 384942042 /nfs/dbraw/zinc/94/20/42/384942042.db2.gz SIKZUOXPXUVYKH-STQMWFEESA-N 1 0 217.312 2.311 10 0 BEAERO Cn1cc(C[NH2+]CCCCO)c2ccccc21 ZINC000057353200 384943302 /nfs/dbraw/zinc/94/33/02/384943302.db2.gz KFRBJRJYAJTFQP-UHFFFAOYSA-N 1 0 232.327 2.040 10 0 BEAERO CCCC[NH2+]CCc1nc2ccccc2[nH]1 ZINC000057353453 384943402 /nfs/dbraw/zinc/94/34/02/384943402.db2.gz NZYWVEQKLJGXMD-UHFFFAOYSA-N 1 0 217.316 2.495 10 0 BEAERO C[NH+](C)[C@@H]1CC[C@H](Nc2ncc(Cl)cn2)C1 ZINC000301915367 384946627 /nfs/dbraw/zinc/94/66/27/384946627.db2.gz GKHHAKXVKASTQL-VHSXEESVSA-N 1 0 240.738 2.025 10 0 BEAERO CCc1ccc(C[N@@H+]2CCC[C@H]2CCCO)nc1 ZINC000338953808 384960622 /nfs/dbraw/zinc/96/06/22/384960622.db2.gz KRBRKHHDVCOGRN-HNNXBMFYSA-N 1 0 248.370 2.381 10 0 BEAERO [NH3+]Cc1ccc2cc(Br)ccc2n1 ZINC000062618293 384973790 /nfs/dbraw/zinc/97/37/90/384973790.db2.gz BKBFDKKIZGWBDE-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO C[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCCO1 ZINC000128009208 384980162 /nfs/dbraw/zinc/98/01/62/384980162.db2.gz FNKHHUARPHRMKN-ZDUSSCGKSA-N 1 0 245.326 2.174 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)sn1 ZINC000404416645 384982259 /nfs/dbraw/zinc/98/22/59/384982259.db2.gz DZXKINPWLHCJIG-ZYHUDNBSSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)nc1 ZINC000087782224 384989322 /nfs/dbraw/zinc/98/93/22/384989322.db2.gz CBXPNKHTSAGPLS-YPMHNXCESA-N 1 0 220.316 2.047 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2CO)sn1 ZINC000404435050 384995855 /nfs/dbraw/zinc/99/58/55/384995855.db2.gz QPVQIPDASLPAIL-JQWIXIFHSA-N 1 0 240.372 2.092 10 0 BEAERO [NH3+]C[C@H](O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000029333121 384999108 /nfs/dbraw/zinc/99/91/08/384999108.db2.gz QOOSKUBRGBNRPA-HNNXBMFYSA-N 1 0 225.291 2.250 10 0 BEAERO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)sn1 ZINC000404460020 385003391 /nfs/dbraw/zinc/00/33/91/385003391.db2.gz NVEMVUVAMIJHEJ-KOLCDFICSA-N 1 0 226.345 2.109 10 0 BEAERO C[NH+](C)Cc1cc(N)cc(C(F)(F)F)c1 ZINC000059828947 385053524 /nfs/dbraw/zinc/05/35/24/385053524.db2.gz BQKAPZPXVOOEAP-UHFFFAOYSA-N 1 0 218.222 2.349 10 0 BEAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccco3)C2)cn1 ZINC000128357170 385027844 /nfs/dbraw/zinc/02/78/44/385027844.db2.gz VORQABUPEZCVKI-LLVKDONJSA-N 1 0 231.299 2.003 10 0 BEAERO [NH3+]C[C@H](F)c1sccc1Br ZINC000156349957 385036128 /nfs/dbraw/zinc/03/61/28/385036128.db2.gz WBOZZUXCLNVNOD-YFKPBYRVSA-N 1 0 224.098 2.480 10 0 BEAERO c1cncc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000164859975 385044149 /nfs/dbraw/zinc/04/41/49/385044149.db2.gz FJBKWJRXXABZCX-YHWZYXNKSA-N 1 0 202.301 2.155 10 0 BEAERO FC(F)n1ccnc1C[NH2+][C@H]1CCCSC1 ZINC000129232194 385124227 /nfs/dbraw/zinc/12/42/27/385124227.db2.gz YSKGVWYRVQRARS-QMMMGPOBSA-N 1 0 247.314 2.263 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCC2CCOCC2)o1 ZINC000310588826 385128061 /nfs/dbraw/zinc/12/80/61/385128061.db2.gz XRZSIWYALBKAKK-NSHDSACASA-N 1 0 238.331 2.450 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000090773190 385094026 /nfs/dbraw/zinc/09/40/26/385094026.db2.gz STRITDZSTAFZSU-CHWSQXEVSA-N 1 0 212.381 2.495 10 0 BEAERO [NH3+]C[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062720983 385098644 /nfs/dbraw/zinc/09/86/44/385098644.db2.gz MBBOQBPOULAGPB-RNFRBKRXSA-N 1 0 201.191 2.166 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000062234468 385104222 /nfs/dbraw/zinc/10/42/22/385104222.db2.gz LSDOPHKEKFGIBC-NXEZZACHSA-N 1 0 211.330 2.483 10 0 BEAERO C[NH+](C)C[C@@H]1CCc2[nH]c3ccccc3c2C1=O ZINC000022002116 385163396 /nfs/dbraw/zinc/16/33/96/385163396.db2.gz UEWOZJZAMBVKAE-JTQLQIEISA-N 1 0 242.322 2.475 10 0 BEAERO CC(C)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107628651 385206537 /nfs/dbraw/zinc/20/65/37/385206537.db2.gz YLAQWFSQMLGYMW-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO CC[NH+](CC)CCCNc1ccnc(C2CC2)n1 ZINC000110111722 385212003 /nfs/dbraw/zinc/21/20/03/385212003.db2.gz KQWBECNOYWJWDL-UHFFFAOYSA-N 1 0 248.374 2.498 10 0 BEAERO C[C@@H](CCCC[NH3+])Nc1ncccc1F ZINC000308857736 385219908 /nfs/dbraw/zinc/21/99/08/385219908.db2.gz UJVGHLXZQDKKEX-VIFPVBQESA-N 1 0 211.284 2.150 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)[C@H]1C ZINC000308878195 385233644 /nfs/dbraw/zinc/23/36/44/385233644.db2.gz CDHWNWYIGSQPQX-MOLYVOAJSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1CCCN(C(C)C)C1=O ZINC000178394472 385242099 /nfs/dbraw/zinc/24/20/99/385242099.db2.gz VJAAFGKSRLWRBG-RYUDHWBXSA-N 1 0 226.364 2.020 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)N(C)C ZINC000308890898 385245610 /nfs/dbraw/zinc/24/56/10/385245610.db2.gz XOQAXJKCBLUUEA-WOPDTQHZSA-N 1 0 216.344 2.054 10 0 BEAERO [NH3+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000050224156 385313078 /nfs/dbraw/zinc/31/30/78/385313078.db2.gz OYKHGRSYYZRIMH-UHFFFAOYSA-N 1 0 243.097 2.033 10 0 BEAERO [NH3+]C[C@H](O)c1cccc2c1Cc1ccccc1-2 ZINC000029333113 385264155 /nfs/dbraw/zinc/26/41/55/385264155.db2.gz MJNJYFSROOMEID-HNNXBMFYSA-N 1 0 225.291 2.250 10 0 BEAERO CC(C)CC(C)(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000177646345 385268548 /nfs/dbraw/zinc/26/85/48/385268548.db2.gz SXXMJJRJACSUAX-LBPRGKRZSA-N 1 0 240.391 2.221 10 0 BEAERO Cn1cncc1C[NH2+]CCC1=CCCC1 ZINC000120153372 385270383 /nfs/dbraw/zinc/27/03/83/385270383.db2.gz ZYVPILIJXJKKNW-UHFFFAOYSA-N 1 0 205.305 2.010 10 0 BEAERO COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308911504 385286471 /nfs/dbraw/zinc/28/64/71/385286471.db2.gz DUWHPJQRVFJSPJ-IJLUTSLNSA-N 1 0 217.328 2.387 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCO ZINC000034676161 385288746 /nfs/dbraw/zinc/28/87/46/385288746.db2.gz KAQXLSAOMMGBQJ-FRRDWIJNSA-N 1 0 213.365 2.419 10 0 BEAERO CCOc1ccc([C@@H]2C[NH2+]C[C@H]2CF)cc1 ZINC000409424433 385332248 /nfs/dbraw/zinc/33/22/48/385332248.db2.gz ZWUAMXNSVOJMDG-YPMHNXCESA-N 1 0 223.291 2.358 10 0 BEAERO C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000409424595 385333357 /nfs/dbraw/zinc/33/33/57/385333357.db2.gz WRRGXIPNKICCCZ-UKRRQHHQSA-N 1 0 233.355 2.322 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccs1 ZINC000308997168 385338632 /nfs/dbraw/zinc/33/86/32/385338632.db2.gz MXHJDTBEVBYHHX-XWLWVQCSSA-N 1 0 223.341 2.291 10 0 BEAERO CC(C)([NH3+])c1cc(C(F)(F)F)ccn1 ZINC000259368774 385358441 /nfs/dbraw/zinc/35/84/41/385358441.db2.gz QJWPXEHMLMTEIV-UHFFFAOYSA-N 1 0 204.195 2.294 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnn1 ZINC000259370901 385359075 /nfs/dbraw/zinc/35/90/75/385359075.db2.gz HJHLUNPKISSRGP-GFCCVEGCSA-N 1 0 205.305 2.412 10 0 BEAERO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](C)O)o1 ZINC000192727323 385368658 /nfs/dbraw/zinc/36/86/58/385368658.db2.gz YVXKRWCRQJNZDW-ZYHUDNBSSA-N 1 0 223.316 2.496 10 0 BEAERO COCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000131938568 385370077 /nfs/dbraw/zinc/37/00/77/385370077.db2.gz SWVAHDGUOUWSEA-KGLIPLIRSA-N 1 0 241.375 2.040 10 0 BEAERO c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]C1COC1 ZINC000168593757 385376736 /nfs/dbraw/zinc/37/67/36/385376736.db2.gz FTNUKPQNEBVHFC-MZBDJJRSSA-N 1 0 243.350 2.168 10 0 BEAERO C[NH2+][C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000168596437 385377660 /nfs/dbraw/zinc/37/76/60/385377660.db2.gz GNAKHARPFSWGLB-CYBMUJFWSA-N 1 0 241.338 2.423 10 0 BEAERO C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000192977626 385377902 /nfs/dbraw/zinc/37/79/02/385377902.db2.gz OKIKAASARHUOTK-GXTWGEPZSA-N 1 0 249.354 2.219 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000644016924 385378511 /nfs/dbraw/zinc/37/85/11/385378511.db2.gz MSKUMDKCEMPOPX-STQMWFEESA-N 1 0 246.354 2.252 10 0 BEAERO CC[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000644016923 385378532 /nfs/dbraw/zinc/37/85/32/385378532.db2.gz MSKUMDKCEMPOPX-QWHCGFSZSA-N 1 0 246.354 2.252 10 0 BEAERO COC[C@@H](COc1cccc(C)c1)[NH2+]C(C)C ZINC000169332484 385411526 /nfs/dbraw/zinc/41/15/26/385411526.db2.gz RHRUQMKLQAWIIV-ZDUSSCGKSA-N 1 0 237.343 2.387 10 0 BEAERO C[C@H]([NH2+][C@@H](c1ncc[nH]1)c1cccnc1)C1CC1 ZINC000194966288 385454454 /nfs/dbraw/zinc/45/44/54/385454454.db2.gz PIVLPBVKEYVKQP-GXFFZTMASA-N 1 0 242.326 2.282 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000309183864 385454819 /nfs/dbraw/zinc/45/48/19/385454819.db2.gz OFZNSFKUYBTUBU-RNJOBUHISA-N 1 0 212.381 2.351 10 0 BEAERO COC1(C[NH2+]C[C@H]2CCC[C@H]2O)CCCCC1 ZINC000319519156 385428957 /nfs/dbraw/zinc/42/89/57/385428957.db2.gz YREFMIZJFNXBFR-CHWSQXEVSA-N 1 0 241.375 2.086 10 0 BEAERO CC[C@H]([NH2+]C[C@@H](COC)OC)C(C)(C)C ZINC000309219260 385485325 /nfs/dbraw/zinc/48/53/25/385485325.db2.gz UYZLZRAMCIIOIH-QWRGUYRKSA-N 1 0 217.353 2.062 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1CCc2ccccc21 ZINC000011805232 385487117 /nfs/dbraw/zinc/48/71/17/385487117.db2.gz LFJIBMPRKFNUSD-ZDUSSCGKSA-N 1 0 218.344 2.423 10 0 BEAERO COc1ccc(CNc2[nH+]ccn2C)c(OC)c1 ZINC000109554479 385463605 /nfs/dbraw/zinc/46/36/05/385463605.db2.gz WPEARHYVBGLROM-UHFFFAOYSA-N 1 0 247.298 2.049 10 0 BEAERO CC[C@@H](C)C[N@H+](C)CC(=O)NC(C)(C)CC ZINC000111254334 385499078 /nfs/dbraw/zinc/49/90/78/385499078.db2.gz MCODWIZXEDMVLH-LLVKDONJSA-N 1 0 228.380 2.269 10 0 BEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000302310959 385510040 /nfs/dbraw/zinc/51/00/40/385510040.db2.gz IKRLOGMYBQLKLU-GHMZBOCLSA-N 1 0 248.326 2.099 10 0 BEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000302310961 385510591 /nfs/dbraw/zinc/51/05/91/385510591.db2.gz IKRLOGMYBQLKLU-QWRGUYRKSA-N 1 0 248.326 2.099 10 0 BEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccs1 ZINC000180601583 385532911 /nfs/dbraw/zinc/53/29/11/385532911.db2.gz XKJLHACUNOMCBC-UWVGGRQHSA-N 1 0 248.355 2.005 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccccc1 ZINC000282235624 385536711 /nfs/dbraw/zinc/53/67/11/385536711.db2.gz FTQJENJCTVGEOK-GVXVVHGQSA-N 1 0 232.327 2.004 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccccc2CCO)CC1 ZINC000258134945 385543061 /nfs/dbraw/zinc/54/30/61/385543061.db2.gz IJHRIMSFAZCCIN-CYBMUJFWSA-N 1 0 233.355 2.421 10 0 BEAERO OC[C@@H]1C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000258149971 385544296 /nfs/dbraw/zinc/54/42/96/385544296.db2.gz ZWTHSGBFDDJDDI-KWQFWETISA-N 1 0 245.244 2.348 10 0 BEAERO OC[C@H]1C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000258149967 385545121 /nfs/dbraw/zinc/54/51/21/385545121.db2.gz ZWTHSGBFDDJDDI-KCJUWKMLSA-N 1 0 245.244 2.348 10 0 BEAERO CC1([NH3+])CCN(c2ncc(Cl)cc2F)CC1 ZINC000643029317 385523637 /nfs/dbraw/zinc/52/36/37/385523637.db2.gz OXGKBBRSKJADIF-UHFFFAOYSA-N 1 0 243.713 2.192 10 0 BEAERO CC1([NH3+])CCN(c2nccc3occc32)CC1 ZINC000643029123 385523735 /nfs/dbraw/zinc/52/37/35/385523735.db2.gz JKCIPUQWVZYTRB-UHFFFAOYSA-N 1 0 231.299 2.145 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1 ZINC000282222211 385526426 /nfs/dbraw/zinc/52/64/26/385526426.db2.gz DYYHNZHCNIFQHX-YRGRVCCFSA-N 1 0 246.354 2.047 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295321390 385551891 /nfs/dbraw/zinc/55/18/91/385551891.db2.gz GSZCGSVKXJYPGO-ZWNOBZJWSA-N 1 0 219.328 2.412 10 0 BEAERO Cc1nnc2n1CCC[C@H]2[NH2+]CCC(C)C ZINC000309424868 385577073 /nfs/dbraw/zinc/57/70/73/385577073.db2.gz BLZKCBSVZGDOGP-LLVKDONJSA-N 1 0 222.336 2.057 10 0 BEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037164408 385597109 /nfs/dbraw/zinc/59/71/09/385597109.db2.gz KAHTZXVXQYITQY-KGLIPLIRSA-N 1 0 249.354 2.478 10 0 BEAERO CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037164400 385597299 /nfs/dbraw/zinc/59/72/99/385597299.db2.gz MYKAWWZQBBHUEK-KGLIPLIRSA-N 1 0 249.354 2.478 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037164309 385597427 /nfs/dbraw/zinc/59/74/27/385597427.db2.gz VDJLERVCFAVMNO-CHWSQXEVSA-N 1 0 235.327 2.088 10 0 BEAERO O=C(CC1CC[NH2+]CC1)NCCC1CCCC1 ZINC000037996265 385597693 /nfs/dbraw/zinc/59/76/93/385597693.db2.gz BQWOTUBRSRVCBW-UHFFFAOYSA-N 1 0 238.375 2.073 10 0 BEAERO CSC1(C[NH2+][C@@H]2CCCC[C@H]2O)CCC1 ZINC000235088529 259671855 /nfs/dbraw/zinc/67/18/55/259671855.db2.gz CWQBDQIEDNTMEG-GHMZBOCLSA-N 1 0 229.389 2.165 10 0 BEAERO CC(C)[C@@H](O)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000334710913 385614197 /nfs/dbraw/zinc/61/41/97/385614197.db2.gz ZRAXIFIHQZVGKD-RYUDHWBXSA-N 1 0 211.349 2.268 10 0 BEAERO Cc1cc(C)c([C@@H]2COCC[NH2+]2)c(C)c1 ZINC000041213930 385614795 /nfs/dbraw/zinc/61/47/95/385614795.db2.gz LZPUGEHSXDAQHR-LBPRGKRZSA-N 1 0 205.301 2.273 10 0 BEAERO C[C@@H]([NH3+])Cc1nc2cc(Cl)ccc2[nH]1 ZINC000037436800 385653428 /nfs/dbraw/zinc/65/34/28/385653428.db2.gz JFKRKBQQECQEQD-ZCFIWIBFSA-N 1 0 209.680 2.106 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccco1 ZINC000252709803 385656613 /nfs/dbraw/zinc/65/66/13/385656613.db2.gz DWJBXTWYWORZSJ-SRVKXCTJSA-N 1 0 223.316 2.481 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000643201839 385671827 /nfs/dbraw/zinc/67/18/27/385671827.db2.gz GNFGMKRVZLXQMF-FZMZJTMJSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1ccc2c(c1)CCC2 ZINC000259177955 385683641 /nfs/dbraw/zinc/68/36/41/385683641.db2.gz NAHMQWUPPMEQEA-SECBINFHSA-N 1 0 203.285 2.095 10 0 BEAERO Cc1ccncc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000230088829 385705726 /nfs/dbraw/zinc/70/57/26/385705726.db2.gz KSOSAWXVJLCLER-OCCSQVGLSA-N 1 0 234.343 2.031 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccon2)CC1 ZINC000616594269 385706637 /nfs/dbraw/zinc/70/66/37/385706637.db2.gz DSRALHVDPKCNLD-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO Cc1cnn(CCNc2cc(C)cc[nH+]2)c1 ZINC000230147281 385711814 /nfs/dbraw/zinc/71/18/14/385711814.db2.gz DKRZQLUWKOZOGO-UHFFFAOYSA-N 1 0 216.288 2.007 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)o1 ZINC000230197259 385716609 /nfs/dbraw/zinc/71/66/09/385716609.db2.gz JRQILWXUUHRMCA-FZMZJTMJSA-N 1 0 237.343 2.483 10 0 BEAERO CC/C=C(\C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186499932 385761943 /nfs/dbraw/zinc/76/19/43/385761943.db2.gz LFSQZQBTNJVPQS-JVOXIWMLSA-N 1 0 236.359 2.086 10 0 BEAERO c1cn2c(n1)CC[C@H]([NH2+]C1CCCCC1)C2 ZINC000309672517 385787339 /nfs/dbraw/zinc/78/73/39/385787339.db2.gz KMZWZUOUYALGTC-LBPRGKRZSA-N 1 0 219.332 2.120 10 0 BEAERO Cc1nnc2n1CCC[C@H]2[NH2+][C@H](C)C(C)C ZINC000309644669 385768552 /nfs/dbraw/zinc/76/85/52/385768552.db2.gz VPAHFVIJAALQRK-MWLCHTKSSA-N 1 0 222.336 2.056 10 0 BEAERO CC[C@H](COC)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000336738050 385828345 /nfs/dbraw/zinc/82/83/45/385828345.db2.gz NZIMLMZDRTZSRP-GMXVVIOVSA-N 1 0 229.364 2.205 10 0 BEAERO Cc1c[nH]nc1CN[C@H]1CCOc2ccccc21 ZINC000284024647 385847804 /nfs/dbraw/zinc/84/78/04/385847804.db2.gz LXXAWSOEBRHFMR-LBPRGKRZSA-N 1 0 243.310 2.332 10 0 BEAERO CC(C)(NC1=NCCCS1)C(F)(F)F ZINC000307313699 385849532 /nfs/dbraw/zinc/84/95/32/385849532.db2.gz KLIXKNCGOAGZNV-UHFFFAOYSA-N 1 0 226.267 2.410 10 0 BEAERO CC[C@H]([NH2+][C@@H](CC)C1CC1)[C@H](O)C(F)(F)F ZINC000309693396 385794785 /nfs/dbraw/zinc/79/47/85/385794785.db2.gz KGYYNRRZCGGWAO-GUBZILKMSA-N 1 0 239.281 2.466 10 0 BEAERO Cc1ccsc1[C@@H](O)C[NH+]1CCCC1 ZINC000307094528 385904611 /nfs/dbraw/zinc/90/46/11/385904611.db2.gz FFLWPRQOBATNNK-JTQLQIEISA-N 1 0 211.330 2.186 10 0 BEAERO [NH3+][C@H](CO)c1cc(C(F)(F)F)ccc1Cl ZINC000072198894 385905060 /nfs/dbraw/zinc/90/50/60/385905060.db2.gz YBEJKAIHGFKIIV-MRVPVSSYSA-N 1 0 239.624 2.351 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccncc1 ZINC000218798658 385909475 /nfs/dbraw/zinc/90/94/75/385909475.db2.gz IDHJDGRVWUEEES-IACUBPJLSA-N 1 0 234.343 2.283 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H]1C[C@H]1C ZINC000336746235 385929781 /nfs/dbraw/zinc/92/97/81/385929781.db2.gz BSBDLEFAMGIKTJ-FRRDWIJNSA-N 1 0 212.381 2.208 10 0 BEAERO CC[C@]1(C(=O)c2ccsn2)CCC[NH2+]C1 ZINC000307642847 385915964 /nfs/dbraw/zinc/91/59/64/385915964.db2.gz NFLIDUDBCMPATJ-NSHDSACASA-N 1 0 224.329 2.106 10 0 BEAERO CCNC(=[NH2+])c1ccccc1Br ZINC000062994605 385917811 /nfs/dbraw/zinc/91/78/11/385917811.db2.gz JKXDKTIJUHJROF-UHFFFAOYSA-N 1 0 227.105 2.384 10 0 BEAERO Nc1cccc(Cl)c1S[C@@H]1CC[NH2+]C1 ZINC000051784210 385919612 /nfs/dbraw/zinc/91/96/12/385919612.db2.gz BAEQGKDUIBADDW-SSDOTTSWSA-N 1 0 228.748 2.376 10 0 BEAERO C[NH2+][C@H]1COC[C@H]1c1ccsc1Cl ZINC000575531562 385877454 /nfs/dbraw/zinc/87/74/54/385877454.db2.gz PUUDVCQDBAEHGP-YUMQZZPRSA-N 1 0 217.721 2.103 10 0 BEAERO [NH3+][C@H](CO)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000072198898 385975312 /nfs/dbraw/zinc/97/53/12/385975312.db2.gz VUOICOBAIVLPGW-MRVPVSSYSA-N 1 0 239.624 2.351 10 0 BEAERO C[C@H]1CC[C@@H](O)CN1Cc1ccc(Cl)cn1 ZINC000643254822 385994693 /nfs/dbraw/zinc/99/46/93/385994693.db2.gz TWVCOKSATYEIOS-JOYOIKCWSA-N 1 0 240.734 2.080 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1COc2ccccc21 ZINC000336769548 385981134 /nfs/dbraw/zinc/98/11/34/385981134.db2.gz VSMOEONOHQICJE-SCVCMEIPSA-N 1 0 203.285 2.366 10 0 BEAERO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CCCO1 ZINC000336768053 385937706 /nfs/dbraw/zinc/93/77/06/385937706.db2.gz UGSCRRNKGHHHKW-SQNXGDPESA-N 1 0 209.333 2.332 10 0 BEAERO CC[C@H]([NH2+]CCc1ccn(C)n1)C(C)(C)C ZINC000336746626 385959236 /nfs/dbraw/zinc/95/92/36/385959236.db2.gz WQGYEZQLOFSZHQ-LBPRGKRZSA-N 1 0 223.364 2.377 10 0 BEAERO C[C@H](CCCO)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336751913 386010606 /nfs/dbraw/zinc/01/06/06/386010606.db2.gz GSTAMTQELYPKQB-UTUOFQBUSA-N 1 0 217.328 2.265 10 0 BEAERO C[C@H](CCCO)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336751908 386011233 /nfs/dbraw/zinc/01/12/33/386011233.db2.gz GSTAMTQELYPKQB-IJLUTSLNSA-N 1 0 217.328 2.265 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C)CS1 ZINC000336751522 386011346 /nfs/dbraw/zinc/01/13/46/386011346.db2.gz GKWWSTHGIUVBES-KXNHARMFSA-N 1 0 229.389 2.284 10 0 BEAERO C/C=C/[C@H]([NH3+])[C@@H]1SCCS[C@H]1C ZINC000575562790 386036039 /nfs/dbraw/zinc/03/60/39/386036039.db2.gz DQBDPIRKISOKBG-LVMSPVEESA-N 1 0 203.376 2.127 10 0 BEAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000336729183 386102603 /nfs/dbraw/zinc/10/26/03/386102603.db2.gz HOFAHQGZHACHFL-AXFHLTTASA-N 1 0 225.332 2.106 10 0 BEAERO CC[C@@H](C)[C@](C)([NH2+]Cc1ccccc1)C(N)=O ZINC000037941176 386105131 /nfs/dbraw/zinc/10/51/31/386105131.db2.gz CUJTWMHGMFJWCB-RISCZKNCSA-N 1 0 234.343 2.066 10 0 BEAERO CCN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]2C)cn1 ZINC000190951991 386106449 /nfs/dbraw/zinc/10/64/49/386106449.db2.gz UMKVQTLSNVCRRL-CMPLNLGQSA-N 1 0 219.332 2.036 10 0 BEAERO C[NH2+][C@](C)(CO)c1ccc(Cl)c(Cl)c1 ZINC000038121148 386124402 /nfs/dbraw/zinc/12/44/02/386124402.db2.gz WIRARKNKKHOXAG-SNVBAGLBSA-N 1 0 234.126 2.420 10 0 BEAERO C[C@@H]([NH3+])Cc1nc2c(s1)CCCCC2 ZINC000054160876 386113421 /nfs/dbraw/zinc/11/34/21/386113421.db2.gz JVQDNNXNACNUBV-MRVPVSSYSA-N 1 0 210.346 2.302 10 0 BEAERO c1cc(CC[NH2+]CC2=CCCOC2)cs1 ZINC000124638455 386116833 /nfs/dbraw/zinc/11/68/33/386116833.db2.gz FVFXLHGAWPKGDJ-UHFFFAOYSA-N 1 0 223.341 2.227 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccnn1C ZINC000336729522 386122625 /nfs/dbraw/zinc/12/26/25/386122625.db2.gz HSIFAJRZBMNDDN-AAEUAGOBSA-N 1 0 221.348 2.479 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccnn1C ZINC000336729524 386122943 /nfs/dbraw/zinc/12/29/43/386122943.db2.gz HSIFAJRZBMNDDN-WCQYABFASA-N 1 0 221.348 2.479 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(c2cscn2)CS1 ZINC000575573668 386160153 /nfs/dbraw/zinc/16/01/53/386160153.db2.gz ZDIAEBLIUQPQCE-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000310356673 386173286 /nfs/dbraw/zinc/17/32/86/386173286.db2.gz QZEDXYAEJYYXDH-AWEZNQCLSA-N 1 0 240.391 2.413 10 0 BEAERO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000189993261 386141554 /nfs/dbraw/zinc/14/15/54/386141554.db2.gz XHOOUOPLPIOHKA-JSGCOSHPSA-N 1 0 237.343 2.370 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CCC2CCCC2)C1 ZINC000401896839 386255260 /nfs/dbraw/zinc/25/52/60/386255260.db2.gz KTTAONDCXOXXNF-AAEUAGOBSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C)C[C@H]2C)o1 ZINC000336742543 386200208 /nfs/dbraw/zinc/20/02/08/386200208.db2.gz OIXYXLXDKOOEFH-ADEWGFFLSA-N 1 0 222.332 2.189 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000336730621 386280515 /nfs/dbraw/zinc/28/05/15/386280515.db2.gz KHJIQUINUBDBGU-SDDRHHMPSA-N 1 0 215.312 2.283 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)C1CCCC1 ZINC000164787652 386299083 /nfs/dbraw/zinc/29/90/83/386299083.db2.gz YPFCJDTZJWGBEP-CMPLNLGQSA-N 1 0 234.347 2.281 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCn1cccn1 ZINC000336743291 386365065 /nfs/dbraw/zinc/36/50/65/386365065.db2.gz TTXHBUJBWLSEEM-STQMWFEESA-N 1 0 221.348 2.442 10 0 BEAERO Cc1cnn(CC[NH2+]Cc2cc(C)ccc2F)c1 ZINC000227287326 386474323 /nfs/dbraw/zinc/47/43/23/386474323.db2.gz INKHZNBXSALMPN-UHFFFAOYSA-N 1 0 247.317 2.429 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000135198652 386490501 /nfs/dbraw/zinc/49/05/01/386490501.db2.gz CSMDCCJRRNCAAM-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000190419998 386504430 /nfs/dbraw/zinc/50/44/30/386504430.db2.gz DAYQRXGNBZTSIR-RNJOBUHISA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CCOCC3)[C@H]1C ZINC000336733247 386507580 /nfs/dbraw/zinc/50/75/80/386507580.db2.gz GKXFZUCXEXXCPK-VOAKCMCISA-N 1 0 223.360 2.437 10 0 BEAERO COc1cccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)c1 ZINC000399225279 386459646 /nfs/dbraw/zinc/45/96/46/386459646.db2.gz YMMWXGNUGVFPCU-WCQYABFASA-N 1 0 235.327 2.040 10 0 BEAERO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000399222909 386461099 /nfs/dbraw/zinc/46/10/99/386461099.db2.gz XIKTYDWKTCUJJF-BNOWGMLFSA-N 1 0 231.339 2.172 10 0 BEAERO CCOCCN1CC[N@@H+]([C@@H](C)CC)C[C@H]1CC ZINC000187682339 386575285 /nfs/dbraw/zinc/57/52/85/386575285.db2.gz ORFVRGMNWYRZJT-UONOGXRCSA-N 1 0 242.407 2.218 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)C(C)(C)C ZINC000336644137 386586221 /nfs/dbraw/zinc/58/62/21/386586221.db2.gz AEBZFTBYCVKSIV-BFVZDQMLSA-N 1 0 219.394 2.168 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000336644574 386595337 /nfs/dbraw/zinc/59/53/37/386595337.db2.gz CHOWTIBLUQBHTM-SMDDNHRTSA-N 1 0 222.376 2.391 10 0 BEAERO O=C1C[C@@H](C2CC2)N(Cc2ccccc2)C1 ZINC000238854287 386537051 /nfs/dbraw/zinc/53/70/51/386537051.db2.gz NIJDOHIJSQTSJD-AWEZNQCLSA-N 1 0 215.296 2.240 10 0 BEAERO C[NH2+][C@H]1CCN([C@H](C)c2cccc(OC)c2)C1 ZINC000123188556 386543670 /nfs/dbraw/zinc/54/36/70/386543670.db2.gz CDGJODKQXKYLIJ-YPMHNXCESA-N 1 0 234.343 2.050 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[S@@](C)=O ZINC000336733600 386546864 /nfs/dbraw/zinc/54/68/64/386546864.db2.gz MMYBEGFGUWJKBU-OZTPJHRESA-N 1 0 231.405 2.312 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136191837 386568374 /nfs/dbraw/zinc/56/83/74/386568374.db2.gz WBIKIMJDROIRKY-GXTWGEPZSA-N 1 0 238.375 2.023 10 0 BEAERO c1ccc2oc(N3CC[NH+](C4CC4)CC3)nc2c1 ZINC000049390406 386610236 /nfs/dbraw/zinc/61/02/36/386610236.db2.gz BBCGXOLVCIYGPN-UHFFFAOYSA-N 1 0 243.310 2.112 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000335523417 386666240 /nfs/dbraw/zinc/66/62/40/386666240.db2.gz JWHFGWFXXVWFLC-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000335523421 386666558 /nfs/dbraw/zinc/66/65/58/386666558.db2.gz JWHFGWFXXVWFLC-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)C1CCC1 ZINC000324882960 386677170 /nfs/dbraw/zinc/67/71/70/386677170.db2.gz DUIHIFDPPCDISI-OLZOCXBDSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cccs1 ZINC000295113411 386690652 /nfs/dbraw/zinc/69/06/52/386690652.db2.gz WKJAITHCKNLPGD-ONGXEEELSA-N 1 0 211.330 2.093 10 0 BEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccsc1 ZINC000295141426 386693476 /nfs/dbraw/zinc/69/34/76/386693476.db2.gz ZVOUVHLBJGABPK-ONGXEEELSA-N 1 0 211.330 2.093 10 0 BEAERO C[C@@H]([NH3+])c1cccc(I)c1 ZINC000003705621 386701134 /nfs/dbraw/zinc/70/11/34/386701134.db2.gz UYKFZJRBIDHFAG-ZCFIWIBFSA-N 1 0 247.079 2.311 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2CO)C[C@H](C)O1 ZINC000645116945 386729689 /nfs/dbraw/zinc/72/96/89/386729689.db2.gz TYNVCNNZSVIZRD-ITGHMWBKSA-N 1 0 241.375 2.083 10 0 BEAERO FC1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC000306705558 386741354 /nfs/dbraw/zinc/74/13/54/386741354.db2.gz IITNTECALRBGOI-SECBINFHSA-N 1 0 203.326 2.364 10 0 BEAERO CC[C@@H]([NH3+])Cc1nc2c(s1)CCCC2 ZINC000054184156 386774387 /nfs/dbraw/zinc/77/43/87/386774387.db2.gz FDNREHIJMYPJFQ-MRVPVSSYSA-N 1 0 210.346 2.302 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCc2ccccc21 ZINC000396563880 386778805 /nfs/dbraw/zinc/77/88/05/386778805.db2.gz UXXRFYITSGSQMQ-TUKIKUTGSA-N 1 0 230.355 2.404 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000293248677 386788738 /nfs/dbraw/zinc/78/87/38/386788738.db2.gz LWGOHSVCUCHDMM-WPRPVWTQSA-N 1 0 241.718 2.313 10 0 BEAERO [NH3+][C@]1(c2cncs2)CCCSCC1 ZINC000575451588 386802801 /nfs/dbraw/zinc/80/28/01/386802801.db2.gz ZZKWFKKHLXQEQG-SECBINFHSA-N 1 0 214.359 2.214 10 0 BEAERO Cc1ncc([C@@H](F)[C@@H]2CCC[NH2+]2)s1 ZINC000575451741 386805685 /nfs/dbraw/zinc/80/56/85/386805685.db2.gz MZIFSSZCSANLLO-CBAPKCEASA-N 1 0 200.282 2.214 10 0 BEAERO CC1([C@@H](O)c2ccsc2Cl)C[NH2+]C1 ZINC000575454048 386829050 /nfs/dbraw/zinc/82/90/50/386829050.db2.gz UDMGANLCQDFQQQ-ZETCQYMHSA-N 1 0 217.721 2.044 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])[C@H]1CCSC1 ZINC000575453827 386829626 /nfs/dbraw/zinc/82/96/26/386829626.db2.gz IUCFNJLLDHWSLK-JGVFFNPUSA-N 1 0 214.359 2.204 10 0 BEAERO [NH3+][C@@H](CF)c1ccc(Br)cc1 ZINC000071654955 386832157 /nfs/dbraw/zinc/83/21/57/386832157.db2.gz LTQTVYZYSCTZLO-QMMMGPOBSA-N 1 0 218.069 2.418 10 0 BEAERO C[C@@]([NH3+])(c1cnsc1)c1cccs1 ZINC000575454244 386833631 /nfs/dbraw/zinc/83/36/31/386833631.db2.gz RXYYBIQTWZIURC-SECBINFHSA-N 1 0 210.327 2.427 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1C=CCC1 ZINC000575454277 386837541 /nfs/dbraw/zinc/83/75/41/386837541.db2.gz HGCIVJOYQFLYGE-GFCCVEGCSA-N 1 0 215.300 2.019 10 0 BEAERO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](C)O)o1 ZINC000249653419 386840967 /nfs/dbraw/zinc/84/09/67/386840967.db2.gz YVXKRWCRQJNZDW-CMPLNLGQSA-N 1 0 223.316 2.496 10 0 BEAERO C[C@H](CCCC[NH3+])Nc1ncc(Cl)cn1 ZINC000336674108 386841292 /nfs/dbraw/zinc/84/12/92/386841292.db2.gz HBSCZSWJDVBJMP-MRVPVSSYSA-N 1 0 228.727 2.059 10 0 BEAERO C[C@@H]([NH2+]C[C@@H](O)C1CC1)C1C(C)(C)C1(C)C ZINC000336739723 386895607 /nfs/dbraw/zinc/89/56/07/386895607.db2.gz LPTKSTURQKILBN-MWLCHTKSSA-N 1 0 225.376 2.418 10 0 BEAERO Cc1nnc(CN2CCC[C@@H]2c2ccco2)o1 ZINC000116294301 386932598 /nfs/dbraw/zinc/93/25/98/386932598.db2.gz HJIJSINVXSWXOG-SNVBAGLBSA-N 1 0 233.271 2.308 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000323994741 386955992 /nfs/dbraw/zinc/95/59/92/386955992.db2.gz LZRXAUNDRPSIMJ-OLZOCXBDSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@@H]1CC(C[NH2+]CC2(O)CCCC2)C[C@@H](C)O1 ZINC000518966282 386957897 /nfs/dbraw/zinc/95/78/97/386957897.db2.gz KAMLUZKMLQMXHG-VXGBXAGGSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)C)C(N)=O ZINC000126070075 386982821 /nfs/dbraw/zinc/98/28/21/386982821.db2.gz HMIXFMDHKVIMBM-WOPDTQHZSA-N 1 0 226.364 2.055 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2C1 ZINC000398811632 386996452 /nfs/dbraw/zinc/99/64/52/386996452.db2.gz VWWXLNRKWDDRDJ-QJPTWQEYSA-N 1 0 245.313 2.125 10 0 BEAERO CC(C)([NH3+])CNCc1ccnc2ccccc12 ZINC000514586971 387002631 /nfs/dbraw/zinc/00/26/31/387002631.db2.gz HLBUUSUQELWBFS-UHFFFAOYSA-N 1 0 229.327 2.062 10 0 BEAERO CN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000104362510 387003342 /nfs/dbraw/zinc/00/33/42/387003342.db2.gz ZVDYKWZADUZGER-QWHCGFSZSA-N 1 0 238.375 2.153 10 0 BEAERO C/C(=C/C[NH3+])c1cncc(Br)c1 ZINC000575457655 387031213 /nfs/dbraw/zinc/03/12/13/387031213.db2.gz DBGBUDHTPRDWPB-UQCOIBPSSA-N 1 0 227.105 2.206 10 0 BEAERO [NH3+]C[C@H]1CCCN1c1ccc2ccccc2n1 ZINC000053663230 387031798 /nfs/dbraw/zinc/03/17/98/387031798.db2.gz QRUPJMLHEPVVTC-GFCCVEGCSA-N 1 0 227.311 2.162 10 0 BEAERO C[NH2+][C@@H]1CO[C@@H](c2sccc2Cl)C1 ZINC000575461430 387032355 /nfs/dbraw/zinc/03/23/55/387032355.db2.gz IBNJIBNUSQGLEF-POYBYMJQSA-N 1 0 217.721 2.451 10 0 BEAERO COc1ccc([C@@H]([NH3+])CF)cc1Br ZINC000238402100 387032404 /nfs/dbraw/zinc/03/24/04/387032404.db2.gz DUZLNEWFKVCWJF-QMMMGPOBSA-N 1 0 248.095 2.427 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])Cc1ncccc1Br ZINC000575460362 387037402 /nfs/dbraw/zinc/03/74/02/387037402.db2.gz HPXWXKYGBZYEQY-GMSGAONNSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@H]1C[C@]1([NH3+])Cc1ncccc1Br ZINC000575460365 387037480 /nfs/dbraw/zinc/03/74/80/387037480.db2.gz HPXWXKYGBZYEQY-XVKPBYJWSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@@]([NH3+])(c1cccs1)c1cncs1 ZINC000575578126 387044284 /nfs/dbraw/zinc/04/42/84/387044284.db2.gz SEBKLIBFPIWVHE-SECBINFHSA-N 1 0 210.327 2.427 10 0 BEAERO [NH3+][C@@H]1CCCN(c2cc(-c3cccs3)[nH]n2)C1 ZINC000070460164 387067229 /nfs/dbraw/zinc/06/72/29/387067229.db2.gz QNWZPOYHQINRBC-SECBINFHSA-N 1 0 248.355 2.066 10 0 BEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2cccc(OC)c2)C1 ZINC000053201262 387020583 /nfs/dbraw/zinc/02/05/83/387020583.db2.gz UGSXCGCEIKEEMD-JSGCOSHPSA-N 1 0 248.370 2.440 10 0 BEAERO c1ccc2nc(NC[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000053255349 387021499 /nfs/dbraw/zinc/02/14/99/387021499.db2.gz VBHJNJVMEJFKDU-LBPRGKRZSA-N 1 0 227.311 2.399 10 0 BEAERO [NH3+]Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)cc1 ZINC000334881497 387023323 /nfs/dbraw/zinc/02/33/23/387023323.db2.gz XQOSIYHWXHDLKD-DGCLKSJQSA-N 1 0 245.326 2.162 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2COC(C)(C)C2)C[C@@H](C)O1 ZINC000418051678 387070255 /nfs/dbraw/zinc/07/02/55/387070255.db2.gz YZPBTYDIFXMAMV-WZRBSPASSA-N 1 0 241.375 2.347 10 0 BEAERO Cc1csc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000400561891 387079963 /nfs/dbraw/zinc/07/99/63/387079963.db2.gz HYNXUHWOZDECCA-VWYCJHECSA-N 1 0 239.388 2.100 10 0 BEAERO CC(C)(C)OCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000068334084 387104808 /nfs/dbraw/zinc/10/48/08/387104808.db2.gz ZELAOBODSVZMGS-STQMWFEESA-N 1 0 241.375 2.445 10 0 BEAERO CCCCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186518295 387106170 /nfs/dbraw/zinc/10/61/70/387106170.db2.gz AMCOQKCKGRCHSA-GFCCVEGCSA-N 1 0 238.375 2.310 10 0 BEAERO CC(C)(C)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186518688 387107617 /nfs/dbraw/zinc/10/76/17/387107617.db2.gz IUHADCPAAHIKMA-LLVKDONJSA-N 1 0 238.375 2.166 10 0 BEAERO [NH3+][C@H](CC(F)F)c1ccc(O)cc1F ZINC000575437300 387107903 /nfs/dbraw/zinc/10/79/03/387107903.db2.gz CPDYQVITKNBVEE-MRVPVSSYSA-N 1 0 205.179 2.186 10 0 BEAERO Brc1scnc1[C@H]1CCC[NH2+]1 ZINC000575470240 387110367 /nfs/dbraw/zinc/11/03/67/387110367.db2.gz GJYQTXXYPDNAKH-RXMQYKEDSA-N 1 0 233.134 2.330 10 0 BEAERO COc1cc(OC)cc([C@H]([NH3+])CCF)c1 ZINC000575439193 387121477 /nfs/dbraw/zinc/12/14/77/387121477.db2.gz XMWAHAUHCUAEEB-LLVKDONJSA-N 1 0 213.252 2.063 10 0 BEAERO CCOc1ccc([C@@H]([NH3+])CCF)cc1OC ZINC000575439355 387123179 /nfs/dbraw/zinc/12/31/79/387123179.db2.gz SJULZRCPQAKUAQ-JTQLQIEISA-N 1 0 227.279 2.453 10 0 BEAERO COc1cccc(OC)c1[C@@H]([NH3+])CCF ZINC000575439526 387124028 /nfs/dbraw/zinc/12/40/28/387124028.db2.gz DKTXNPRCONTLOP-QMMMGPOBSA-N 1 0 213.252 2.063 10 0 BEAERO COc1ccc(F)c([C@@H]([NH3+])CCF)c1 ZINC000575439866 387126135 /nfs/dbraw/zinc/12/61/35/387126135.db2.gz YWUWNPQUOWXNIZ-JTQLQIEISA-N 1 0 201.216 2.194 10 0 BEAERO [NH3+]C[C@@H]1CCc2cc(Br)ccc21 ZINC000089064155 387154019 /nfs/dbraw/zinc/15/40/19/387154019.db2.gz VWQZJOMQTCXOCG-QMMMGPOBSA-N 1 0 226.117 2.438 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@]12CC[C@@H]([NH3+])C2 ZINC000307290078 387159685 /nfs/dbraw/zinc/15/96/85/387159685.db2.gz ZVJHYQSIDJVEIE-ZWNOBZJWSA-N 1 0 240.347 2.267 10 0 BEAERO Oc1ccc([C@H]2C[NH2+]CC23CCC3)cc1 ZINC000536950980 387163403 /nfs/dbraw/zinc/16/34/03/387163403.db2.gz YMCGVBWPLSOATO-GFCCVEGCSA-N 1 0 203.285 2.249 10 0 BEAERO C[C@H]1CC(C(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000536957339 387170683 /nfs/dbraw/zinc/17/06/83/387170683.db2.gz DCGYIUNGLLYYDZ-IUCAKERBSA-N 1 0 213.321 2.105 10 0 BEAERO c1ccc([C@]23CC[N@@H+](C4CC4)C[C@H]2O3)cc1 ZINC000536957577 387171475 /nfs/dbraw/zinc/17/14/75/387171475.db2.gz BXENOLFXUWXSMX-ZIAGYGMSSA-N 1 0 215.296 2.149 10 0 BEAERO C/C(=C/Cl)C[C@@]1([NH3+])CCOC1(C)C ZINC000575479297 387176232 /nfs/dbraw/zinc/17/62/32/387176232.db2.gz YQWBMDWEECTJDS-DMEOUFDRSA-N 1 0 203.713 2.416 10 0 BEAERO CC[C@H]([NH2+]CC1CC(O)C1)c1ccc(F)cn1 ZINC000161345622 387189893 /nfs/dbraw/zinc/18/98/93/387189893.db2.gz YWFIUWCMXICSDM-NHNAUAITSA-N 1 0 238.306 2.032 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000119407017 387132768 /nfs/dbraw/zinc/13/27/68/387132768.db2.gz YSQNMYMUDDNEHK-ZDUSSCGKSA-N 1 0 225.307 2.419 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000300421306 387210189 /nfs/dbraw/zinc/21/01/89/387210189.db2.gz CAMPTHSADHRBGJ-PWSUYJOCSA-N 1 0 236.363 2.311 10 0 BEAERO CC1(C)C[C@@]1([NH3+])c1ncccc1Br ZINC000575592575 387216504 /nfs/dbraw/zinc/21/65/04/387216504.db2.gz WLFZRMIAHWGITQ-SNVBAGLBSA-N 1 0 241.132 2.428 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1ccsc1Br ZINC000575593171 387224415 /nfs/dbraw/zinc/22/44/15/387224415.db2.gz YEVMDMLJNQTYRA-BQBZGAKWSA-N 1 0 248.145 2.299 10 0 BEAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2(CO)CC2)o1 ZINC000120374463 387233401 /nfs/dbraw/zinc/23/34/01/387233401.db2.gz QVVSAZXXUIDOPH-MWLCHTKSSA-N 1 0 221.300 2.018 10 0 BEAERO CC(C)(O)CC[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000371874546 387254223 /nfs/dbraw/zinc/25/42/23/387254223.db2.gz NKKJJKCMZJEABM-SNVBAGLBSA-N 1 0 240.372 2.441 10 0 BEAERO O=C1OCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000120629586 387260626 /nfs/dbraw/zinc/26/06/26/387260626.db2.gz RUXWAEPQWFTMFY-NEPJUHHUSA-N 1 0 249.310 2.370 10 0 BEAERO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392893287 387299288 /nfs/dbraw/zinc/29/92/88/387299288.db2.gz OSVUZEAFKATRNB-OUAUKWLOSA-N 1 0 226.364 2.068 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)[C@@H](C)C1 ZINC000392940382 387302908 /nfs/dbraw/zinc/30/29/08/387302908.db2.gz OXNOIBVHNLSUAC-RXGFPQBGSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C[C@H]1C ZINC000392945105 387305323 /nfs/dbraw/zinc/30/53/23/387305323.db2.gz RQJAVDXUPAPMIC-NAWOPXAZSA-N 1 0 238.375 2.068 10 0 BEAERO C[NH+]1CCC(c2nccc(OC(C)(C)C)n2)CC1 ZINC000575601212 387361611 /nfs/dbraw/zinc/36/16/11/387361611.db2.gz OSVOINREZUOUMU-UHFFFAOYSA-N 1 0 249.358 2.463 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]2[C@@H]2C[C@H]2[NH3+])cc1 ZINC000575601787 387368280 /nfs/dbraw/zinc/36/82/80/387368280.db2.gz CPDIIKRAXWDCDS-ZDEQEGDKSA-N 1 0 203.285 2.146 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]2[C@H]2C[C@H]2[NH3+])cc1 ZINC000575601786 387369371 /nfs/dbraw/zinc/36/93/71/387369371.db2.gz CPDIIKRAXWDCDS-WUHRBBMRSA-N 1 0 203.285 2.146 10 0 BEAERO C[NH2+][C@H]1CO[C@H](c2ccc(Br)o2)C1 ZINC000575507939 387370448 /nfs/dbraw/zinc/37/04/48/387370448.db2.gz OAVYMFQFXYQXCT-SVRRBLITSA-N 1 0 246.104 2.092 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2ccccc2Br)C1 ZINC000575506504 387371889 /nfs/dbraw/zinc/37/18/89/387371889.db2.gz AVRWOQMXDNULQF-OIBJUYFYSA-N 1 0 242.116 2.238 10 0 BEAERO F[C@H](c1ccsn1)[C@@H]1CCC[NH2+]C1 ZINC000306254568 387373832 /nfs/dbraw/zinc/37/38/32/387373832.db2.gz QKZAIXHMATUOBN-APPZFPTMSA-N 1 0 200.282 2.153 10 0 BEAERO F[C@@H](c1ccsn1)[C@H]1CCC[NH2+]C1 ZINC000306254570 387374254 /nfs/dbraw/zinc/37/42/54/387374254.db2.gz QKZAIXHMATUOBN-IONNQARKSA-N 1 0 200.282 2.153 10 0 BEAERO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000286220694 387324091 /nfs/dbraw/zinc/32/40/91/387324091.db2.gz SILWRFCQJUKEQF-JQWIXIFHSA-N 1 0 225.311 2.336 10 0 BEAERO Brc1csc(C2=[NH+]CCCN2)c1 ZINC000306556761 387343441 /nfs/dbraw/zinc/34/34/41/387343441.db2.gz GTVHWYQBWLTZOH-UHFFFAOYSA-N 1 0 245.145 2.251 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])C[C@@H]1c1ccc(Br)cn1 ZINC000575500485 387351882 /nfs/dbraw/zinc/35/18/82/387351882.db2.gz SCUKKQMOIVPIIL-XVYDVKMFSA-N 1 0 241.132 2.295 10 0 BEAERO CCC[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121475698 387352198 /nfs/dbraw/zinc/35/21/98/387352198.db2.gz KEHQKGMMKQEZHP-ZJUUUORDSA-N 1 0 239.281 2.422 10 0 BEAERO C[N@H+](CCCOc1ccccc1)[C@@H]1CCC[C@@H]1O ZINC000352662447 387426156 /nfs/dbraw/zinc/42/61/56/387426156.db2.gz ZKIZTGMYMJMCQL-CABCVRRESA-N 1 0 249.354 2.301 10 0 BEAERO [NH3+]C1CC([C@H](O)c2ccc(Cl)s2)C1 ZINC000575517769 387433641 /nfs/dbraw/zinc/43/36/41/387433641.db2.gz TZWKARPHQNEONP-BIFUPNIPSA-N 1 0 217.721 2.172 10 0 BEAERO C[C@@H]1CS[C@]2(CCCSCC2)[NH2+]1 ZINC000575517996 387434087 /nfs/dbraw/zinc/43/40/87/387434087.db2.gz JAZWLXJGWSFRCI-BDAKNGLRSA-N 1 0 203.376 2.325 10 0 BEAERO C[C@H]1CC[C@@](F)(c2cncs2)C[NH2+]1 ZINC000575518752 387439716 /nfs/dbraw/zinc/43/97/16/387439716.db2.gz SXEZCIJZKQGMQM-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO FC1(F)CC[C@H]2[NH2+]CCCS[C@@H]2C1 ZINC000575520654 387446281 /nfs/dbraw/zinc/44/62/81/387446281.db2.gz RBTXOKKCCPCVFC-HTQZYQBOSA-N 1 0 207.289 2.269 10 0 BEAERO CN1C[C@@H]([NH2+]Cc2ccccc2)CC1(C)C ZINC000575522636 387452092 /nfs/dbraw/zinc/45/20/92/387452092.db2.gz HMEZQTGDICWFDJ-ZDUSSCGKSA-N 1 0 218.344 2.259 10 0 BEAERO C[N@H+](CCCCO)C[C@@H]1Cc2ccccc21 ZINC000287559444 387458424 /nfs/dbraw/zinc/45/84/24/387458424.db2.gz BCWUCFJRNNTOMT-ZDUSSCGKSA-N 1 0 219.328 2.031 10 0 BEAERO C[C@@H](CC[NH3+])Nc1ccnc(C(F)(F)F)c1 ZINC000304302389 387461063 /nfs/dbraw/zinc/46/10/63/387461063.db2.gz PEABTSAHKMGZGN-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO C[NH+](C)[C@H]1C[C@@H]2CCCC[C@H]2C[C@]1(C)O ZINC000584626880 387504069 /nfs/dbraw/zinc/50/40/69/387504069.db2.gz HZLAEUHNULERHT-CYDGBPFRSA-N 1 0 211.349 2.268 10 0 BEAERO [NH3+][C@]1(Cc2ccsc2Cl)CCOC1 ZINC000575525132 387524418 /nfs/dbraw/zinc/52/44/18/387524418.db2.gz ARTBXEHIYWGWTE-VIFPVBQESA-N 1 0 217.721 2.062 10 0 BEAERO [NH3+][C@@]1(Cc2ccsc2Cl)CCOC1 ZINC000575525130 387524607 /nfs/dbraw/zinc/52/46/07/387524607.db2.gz ARTBXEHIYWGWTE-SECBINFHSA-N 1 0 217.721 2.062 10 0 BEAERO COC(=O)CCC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000374550702 387467129 /nfs/dbraw/zinc/46/71/29/387467129.db2.gz TXNCOCOHOBUHKX-RYUDHWBXSA-N 1 0 225.332 2.204 10 0 BEAERO [NH3+]C1(CC=C(Cl)Cl)CCC(O)CC1 ZINC000575530114 387542181 /nfs/dbraw/zinc/54/21/81/387542181.db2.gz FVFKVPFIOLBVRD-UHFFFAOYSA-N 1 0 224.131 2.328 10 0 BEAERO c1ccc2nc(N3CC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000036268565 387584512 /nfs/dbraw/zinc/58/45/12/387584512.db2.gz WJUAUIGYXAMHQJ-GXTWGEPZSA-N 1 0 239.322 2.033 10 0 BEAERO C/C(=C\Br)[C@H]1CCC[NH2+]C1 ZINC000575544327 387594221 /nfs/dbraw/zinc/59/42/21/387594221.db2.gz CZBHLICOGCHYFW-IVGLGHLBSA-N 1 0 204.111 2.285 10 0 BEAERO CC1(C)C/C(=C\Br)CC[NH2+]1 ZINC000575544387 387595454 /nfs/dbraw/zinc/59/54/54/387595454.db2.gz FAIPJLOTLXOWRD-SREVYHEPSA-N 1 0 204.111 2.427 10 0 BEAERO CC(C)(C)CC[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000123966333 387599821 /nfs/dbraw/zinc/59/98/21/387599821.db2.gz MAXFGCWUDFMXSO-GXTWGEPZSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)(C)CC[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000123966758 387600616 /nfs/dbraw/zinc/60/06/16/387600616.db2.gz MAXFGCWUDFMXSO-JSGCOSHPSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122862091 387609265 /nfs/dbraw/zinc/60/92/65/387609265.db2.gz RSOOPLJDFOUJNC-QWHCGFSZSA-N 1 0 240.391 2.364 10 0 BEAERO Cc1nnc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1C1CC1 ZINC000122924954 387616383 /nfs/dbraw/zinc/61/63/83/387616383.db2.gz MGNSBSJGEAJYQM-UWVGGRQHSA-N 1 0 234.347 2.294 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000124535715 387621269 /nfs/dbraw/zinc/62/12/69/387621269.db2.gz KMHYOVZPJHRSBB-KWQFWETISA-N 1 0 238.356 2.125 10 0 BEAERO CC(C)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000119106404 387553244 /nfs/dbraw/zinc/55/32/44/387553244.db2.gz DDUXVTSIHKURQC-CYBMUJFWSA-N 1 0 238.375 2.023 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399550355 387553506 /nfs/dbraw/zinc/55/35/06/387553506.db2.gz ZHNQBSACYBEYMP-RFQIPJPRSA-N 1 0 243.391 2.140 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035139682 387554949 /nfs/dbraw/zinc/55/49/49/387554949.db2.gz GRTWSLPJXSNJBO-UWVGGRQHSA-N 1 0 240.372 2.313 10 0 BEAERO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)C1(C)CC1 ZINC000036902901 387556845 /nfs/dbraw/zinc/55/68/45/387556845.db2.gz JGHZMGFGFWTZFE-JTQLQIEISA-N 1 0 232.327 2.064 10 0 BEAERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1 ZINC000037152615 387560556 /nfs/dbraw/zinc/56/05/56/387560556.db2.gz QEEYBQIPAGBQJC-XGNXJENSSA-N 1 0 246.354 2.381 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)CC(C)(C)C1 ZINC000037998160 387570242 /nfs/dbraw/zinc/57/02/42/387570242.db2.gz PTYGRLVLEZAHCK-FRRDWIJNSA-N 1 0 241.375 2.206 10 0 BEAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCO)o1 ZINC000124688435 387627863 /nfs/dbraw/zinc/62/78/63/387627863.db2.gz NUICBUQDQGFSCR-LBPRGKRZSA-N 1 0 223.316 2.497 10 0 BEAERO C[NH2+][C@@H]1COc2c1ccc(F)c2Br ZINC000575546916 387634417 /nfs/dbraw/zinc/63/44/17/387634417.db2.gz WGYKXKMKLQSKKD-SSDOTTSWSA-N 1 0 246.079 2.241 10 0 BEAERO C[NH2+][C@H]1COc2c1ccc(F)c2Br ZINC000575546927 387636393 /nfs/dbraw/zinc/63/63/93/387636393.db2.gz WGYKXKMKLQSKKD-ZETCQYMHSA-N 1 0 246.079 2.241 10 0 BEAERO [NH3+][C@H]1C/C(=C\Br)C12CCC2 ZINC000575547199 387638131 /nfs/dbraw/zinc/63/81/31/387638131.db2.gz YBJYMIRMYOKKNI-XPPMVYLVSA-N 1 0 202.095 2.167 10 0 BEAERO COc1cc(C)nc(C[NH2+][C@H](C)C2CC2)c1 ZINC000125960074 387669120 /nfs/dbraw/zinc/66/91/20/387669120.db2.gz XGPTXFVKMIKEOZ-SNVBAGLBSA-N 1 0 220.316 2.287 10 0 BEAERO C[C@H](CC[NH2+]C1(CO)CC1)c1ccccc1 ZINC000126333652 387681047 /nfs/dbraw/zinc/68/10/47/387681047.db2.gz DLNADMNZEWUNMO-GFCCVEGCSA-N 1 0 219.328 2.295 10 0 BEAERO CC[N@H+](CCC(=O)NC(C)C)Cc1ccccc1 ZINC000046502257 387752476 /nfs/dbraw/zinc/75/24/76/387752476.db2.gz AWASYTMNHICCSC-UHFFFAOYSA-N 1 0 248.370 2.423 10 0 BEAERO C[C@@H]1CSC[C@]1([NH3+])Cc1ccsc1 ZINC000575560563 387698213 /nfs/dbraw/zinc/69/82/13/387698213.db2.gz JXNCOGLOPBCUCY-PSASIEDQSA-N 1 0 213.371 2.371 10 0 BEAERO CC[C@@]1([NH3+])CCN(Cc2ccccc2)[C@H]1C ZINC000575562203 387701623 /nfs/dbraw/zinc/70/16/23/387701623.db2.gz ZHXPTTZXIIJRLF-GXTWGEPZSA-N 1 0 218.344 2.388 10 0 BEAERO C[NH+](C)CCn1c2ccccc2[nH]c1=S ZINC000006871439 387727113 /nfs/dbraw/zinc/72/71/13/387727113.db2.gz FIOHFHZRXGXJIQ-UHFFFAOYSA-N 1 0 221.329 2.260 10 0 BEAERO C[C@H]1COC[C@@]1([NH3+])c1sccc1Cl ZINC000575568963 387730070 /nfs/dbraw/zinc/73/00/70/387730070.db2.gz GHTYMLSQILNRES-RCOVLWMOSA-N 1 0 217.721 2.222 10 0 BEAERO C[C@@H]1COC[C@@]1([NH3+])c1sccc1Cl ZINC000575568961 387730203 /nfs/dbraw/zinc/73/02/03/387730203.db2.gz GHTYMLSQILNRES-MUWHJKNJSA-N 1 0 217.721 2.222 10 0 BEAERO C[C@@H]1C[C@]([NH3+])(c2ccc(Cl)s2)CO1 ZINC000575567767 387735526 /nfs/dbraw/zinc/73/55/26/387735526.db2.gz ZTJMUGRRCYPNTP-HZGVNTEJSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@@H]1SCCC[C@]1([NH3+])c1ccsn1 ZINC000575571195 387741340 /nfs/dbraw/zinc/74/13/40/387741340.db2.gz IFRAPEHSRQLUPI-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000129172106 387763100 /nfs/dbraw/zinc/76/31/00/387763100.db2.gz PBRGHMXZALMTQA-LBPRGKRZSA-N 1 0 237.318 2.338 10 0 BEAERO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000129171894 387763587 /nfs/dbraw/zinc/76/35/87/387763587.db2.gz PBRGHMXZALMTQA-GFCCVEGCSA-N 1 0 237.318 2.338 10 0 BEAERO Cc1csc(C[N@@H+]2CCCC[C@H](CO)C2)n1 ZINC000378125161 387765018 /nfs/dbraw/zinc/76/50/18/387765018.db2.gz GQJGPRXNKYZWLE-NSHDSACASA-N 1 0 240.372 2.046 10 0 BEAERO O[C@@H](c1ccsc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000306307963 387769255 /nfs/dbraw/zinc/76/92/55/387769255.db2.gz KGRCFBBSNNGYRP-VXNVDRBHSA-N 1 0 231.748 2.435 10 0 BEAERO C[N@@H+](CC(=O)NC(C)(C)C)CC1CCCCC1 ZINC000049974644 387789385 /nfs/dbraw/zinc/78/93/85/387789385.db2.gz ZNXZGBKJQSAUQL-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(c2ccsn2)CS1 ZINC000575573659 387757328 /nfs/dbraw/zinc/75/73/28/387757328.db2.gz ZAKFPCHRQFPLBQ-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)cn1 ZINC000528017458 387825592 /nfs/dbraw/zinc/82/55/92/387825592.db2.gz GZLAOFRAJSJEON-SILCLGDVSA-N 1 0 240.734 2.157 10 0 BEAERO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1cc(F)ccc1F ZINC000643458845 387828487 /nfs/dbraw/zinc/82/84/87/387828487.db2.gz XCBBAJBERKIRRI-RKDXNWHRSA-N 1 0 240.297 2.223 10 0 BEAERO C[C@@H](N[C@@H](C)c1cc(F)ccc1F)C1C[NH2+]C1 ZINC000643458842 387829332 /nfs/dbraw/zinc/82/93/32/387829332.db2.gz XCBBAJBERKIRRI-BDAKNGLRSA-N 1 0 240.297 2.223 10 0 BEAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CO)c(C)n1 ZINC000037258735 177874487 /nfs/dbraw/zinc/87/44/87/177874487.db2.gz UYCXZMGCMNJVEO-PWSUYJOCSA-N 1 0 222.332 2.038 10 0 BEAERO Cc1cc(C)c([C@@H](O)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000036160048 177873400 /nfs/dbraw/zinc/87/34/00/177873400.db2.gz URCHGIYWJNPYLI-JSGCOSHPSA-N 1 0 219.328 2.397 10 0 BEAERO C[C@H](CCN[C@@H]1CC[NH2+]C1)CC(C)(C)C ZINC000423061714 387866887 /nfs/dbraw/zinc/86/68/87/387866887.db2.gz RKFLEJGQVQGVBM-VXGBXAGGSA-N 1 0 212.381 2.400 10 0 BEAERO C[C@@H](CCN[C@@H]1CC[NH2+]C1)CC(C)(C)C ZINC000423061712 387867421 /nfs/dbraw/zinc/86/74/21/387867421.db2.gz RKFLEJGQVQGVBM-NWDGAFQWSA-N 1 0 212.381 2.400 10 0 BEAERO C[C@@H](CCN[C@H]1CC[NH2+]C1)CC(C)(C)C ZINC000423061713 387868178 /nfs/dbraw/zinc/86/81/78/387868178.db2.gz RKFLEJGQVQGVBM-RYUDHWBXSA-N 1 0 212.381 2.400 10 0 BEAERO Cc1cc(C)c([C@@H](O)C[NH2+]C2CC2)cc1C ZINC000071521931 177871264 /nfs/dbraw/zinc/87/12/64/177871264.db2.gz PANSVVXBBVOYDI-AWEZNQCLSA-N 1 0 219.328 2.397 10 0 BEAERO C(CC1CC1)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194107629 387815686 /nfs/dbraw/zinc/81/56/86/387815686.db2.gz MEPVYJREKNCLOT-FRRDWIJNSA-N 1 0 221.344 2.334 10 0 BEAERO c1nnc([C@H]2CCC[N@@H+](C3CCC3)C2)n1C1CC1 ZINC000194728630 387892129 /nfs/dbraw/zinc/89/21/29/387892129.db2.gz ZPJPECYRBLRSAN-NSHDSACASA-N 1 0 246.358 2.345 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)C1CC1 ZINC000393260909 387897617 /nfs/dbraw/zinc/89/76/17/387897617.db2.gz QXYSBOCPFXSAQP-JHJVBQTASA-N 1 0 211.349 2.458 10 0 BEAERO CCC(CC)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195061317 387902427 /nfs/dbraw/zinc/90/24/27/387902427.db2.gz DIGFMJBJRYDFTO-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1occc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000321014204 387930615 /nfs/dbraw/zinc/93/06/15/387930615.db2.gz UZJWFYOFFGUYBS-QWHCGFSZSA-N 1 0 223.316 2.229 10 0 BEAERO Cn1nccc1C1CC[NH+](C/C=C/Cl)CC1 ZINC000195513296 387922856 /nfs/dbraw/zinc/92/28/56/387922856.db2.gz FLFNERICAMHCMS-QHHAFSJGSA-N 1 0 239.750 2.352 10 0 BEAERO COc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396634955 387926522 /nfs/dbraw/zinc/92/65/22/387926522.db2.gz KCSMBQDUQCVQRJ-ZOWXZIJZSA-N 1 0 248.370 2.486 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1C ZINC000322031753 387960565 /nfs/dbraw/zinc/96/05/65/387960565.db2.gz MHDBUUOGWXHDTM-CKIKVBCHSA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000245693564 387973202 /nfs/dbraw/zinc/97/32/02/387973202.db2.gz KREQNKDNCOXAOQ-AGIUHOORSA-N 1 0 248.374 2.151 10 0 BEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(C)(C)C)[C@@H]2C1 ZINC000245719359 387976427 /nfs/dbraw/zinc/97/64/27/387976427.db2.gz DEMOPUKHCDYRKD-UPJWGTAASA-N 1 0 241.375 2.301 10 0 BEAERO Fc1ccc(F)c([C@@H]2CSCC[NH2+]2)c1 ZINC000070588016 387989786 /nfs/dbraw/zinc/98/97/86/387989786.db2.gz CXWDDMLJROGGQK-JTQLQIEISA-N 1 0 215.268 2.342 10 0 BEAERO C[NH2+][C@@]1(c2nc(C)cs2)CCSC1 ZINC000041060473 388018809 /nfs/dbraw/zinc/01/88/09/388018809.db2.gz QXBIRKCRYPGXLN-VIFPVBQESA-N 1 0 214.359 2.003 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000246280756 388027250 /nfs/dbraw/zinc/02/72/50/388027250.db2.gz BNDNFGLXJLRDRR-UMNHJUIQSA-N 1 0 236.363 2.446 10 0 BEAERO Cc1cc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)on1 ZINC000083704380 388059742 /nfs/dbraw/zinc/05/97/42/388059742.db2.gz ZUDUXFXBBWLIJM-QWHCGFSZSA-N 1 0 249.358 2.042 10 0 BEAERO Cc1cc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)no1 ZINC000083704393 388059757 /nfs/dbraw/zinc/05/97/57/388059757.db2.gz VGBBSHPNAMSFSW-SMDDNHRTSA-N 1 0 249.358 2.042 10 0 BEAERO C[NH2+][C@@H](C)C(=O)c1cc(C)c(C)cc1C ZINC000071509770 388095788 /nfs/dbraw/zinc/09/57/88/388095788.db2.gz LADJRHTVATTWAT-NSHDSACASA-N 1 0 205.301 2.402 10 0 BEAERO c1n[nH]cc1C[NH2+]Cc1cc2ccccc2o1 ZINC000038006025 388101210 /nfs/dbraw/zinc/10/12/10/388101210.db2.gz UXEBYWNKGQQTBI-UHFFFAOYSA-N 1 0 227.267 2.446 10 0 BEAERO [NH3+]CCc1csc(Cc2ccccc2)n1 ZINC000013531754 388159487 /nfs/dbraw/zinc/15/94/87/388159487.db2.gz FJCPGOQOVQYZGS-UHFFFAOYSA-N 1 0 218.325 2.235 10 0 in-vitro BEAERO CCn1c(C)nnc1C[N@H+](CC)[C@H](C)C(C)C ZINC000195432709 388164226 /nfs/dbraw/zinc/16/42/26/388164226.db2.gz WMXTVXQUEJPGPP-LLVKDONJSA-N 1 0 238.379 2.473 10 0 BEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CC(F)(F)F ZINC000646089536 388140311 /nfs/dbraw/zinc/14/03/11/388140311.db2.gz XHBMNJDLBGIHPB-AXTSPUMRSA-N 1 0 237.265 2.078 10 0 BEAERO CC(C)[C@@H]([NH3+])c1ccncc1Br ZINC000238791841 388256918 /nfs/dbraw/zinc/25/69/18/388256918.db2.gz QVLQLUMVZDSLEL-SECBINFHSA-N 1 0 229.121 2.500 10 0 BEAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336662735 388261170 /nfs/dbraw/zinc/26/11/70/388261170.db2.gz KPNTXEXOCGXQSJ-MNOVXSKESA-N 1 0 226.364 2.068 10 0 BEAERO [NH3+][C@@H]1CCC[C@](F)(c2cncs2)C1 ZINC000575517381 388354242 /nfs/dbraw/zinc/35/42/42/388354242.db2.gz FAUUVHSHAFAJHW-VXNVDRBHSA-N 1 0 200.282 2.209 10 0 BEAERO [NH3+][C@H]1CCC[C@](F)(c2cncs2)C1 ZINC000575517380 388354252 /nfs/dbraw/zinc/35/42/52/388354252.db2.gz FAUUVHSHAFAJHW-IONNQARKSA-N 1 0 200.282 2.209 10 0 BEAERO [NH3+][C@@H]1CCC[C@@](F)(c2cncs2)C1 ZINC000575517378 388354310 /nfs/dbraw/zinc/35/43/10/388354310.db2.gz FAUUVHSHAFAJHW-APPZFPTMSA-N 1 0 200.282 2.209 10 0 BEAERO C[C@H]1CC[C@](F)(c2cncs2)C[NH2+]1 ZINC000575518753 388355921 /nfs/dbraw/zinc/35/59/21/388355921.db2.gz SXEZCIJZKQGMQM-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000575522978 388358796 /nfs/dbraw/zinc/35/87/96/388358796.db2.gz LSFSGXWTINOSNJ-UWVGGRQHSA-N 1 0 242.363 2.417 10 0 BEAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1C[C@@H]1C ZINC000322219488 388369287 /nfs/dbraw/zinc/36/92/87/388369287.db2.gz WTKRZSYQBLVSST-USZNOCQGSA-N 1 0 213.365 2.418 10 0 BEAERO C[N@H+](C1CCCC1)C1CCC(CO)CC1 ZINC000305662550 388372276 /nfs/dbraw/zinc/37/22/76/388372276.db2.gz GVLMMJCIQZPNDB-UHFFFAOYSA-N 1 0 211.349 2.412 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000327506737 388376306 /nfs/dbraw/zinc/37/63/06/388376306.db2.gz QADGLNCRFBJLGP-OLZOCXBDSA-N 1 0 242.432 2.346 10 0 BEAERO CC(C)C1([NH2+]CC(=O)Nc2ccccc2)CC1 ZINC000293035374 388386885 /nfs/dbraw/zinc/38/68/85/388386885.db2.gz QBZMZJBCHCIJNM-UHFFFAOYSA-N 1 0 232.327 2.403 10 0 BEAERO Cc1nnc(C[NH2+][C@H]2CCC[C@@H]2CCF)s1 ZINC000393788692 388442204 /nfs/dbraw/zinc/44/22/04/388442204.db2.gz BXYPOXVDJLZOSA-ZJUUUORDSA-N 1 0 243.351 2.464 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccccc2F)C1 ZINC000334748830 388446807 /nfs/dbraw/zinc/44/68/07/388446807.db2.gz ZZKZLSCZTNEIGX-JQWIXIFHSA-N 1 0 223.291 2.028 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cccc(F)c2)C1 ZINC000334745997 388446927 /nfs/dbraw/zinc/44/69/27/388446927.db2.gz MQRFFHIJIGLGHS-GWCFXTLKSA-N 1 0 223.291 2.028 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000334746162 388447565 /nfs/dbraw/zinc/44/75/65/388447565.db2.gz OHGOXMWVUZSJSD-JSGCOSHPSA-N 1 0 249.354 2.206 10 0 BEAERO C[C@H](Nc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000335043129 388448103 /nfs/dbraw/zinc/44/81/03/388448103.db2.gz NZUOLDGEGGPVAA-UWVGGRQHSA-N 1 0 208.280 2.236 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)o1 ZINC000134244500 388474691 /nfs/dbraw/zinc/47/46/91/388474691.db2.gz JHHJYYSPTNLXSM-BXKDBHETSA-N 1 0 209.289 2.109 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000295130100 388409003 /nfs/dbraw/zinc/40/90/03/388409003.db2.gz YINOMVVUPVXFKV-GXFFZTMASA-N 1 0 223.291 2.171 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000295131223 388409266 /nfs/dbraw/zinc/40/92/66/388409266.db2.gz YKWRNRBOJOEDFO-TVQRCGJNSA-N 1 0 241.281 2.310 10 0 BEAERO CC(C)c1nsc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000165762087 388411326 /nfs/dbraw/zinc/41/13/26/388411326.db2.gz LDACNASLKZJHKR-JGVFFNPUSA-N 1 0 228.365 2.199 10 0 BEAERO Cc1cnccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000295801462 388414247 /nfs/dbraw/zinc/41/42/47/388414247.db2.gz SRAVPILSPARTNQ-ZIAGYGMSSA-N 1 0 234.343 2.031 10 0 BEAERO [NH3+]CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000040954744 388430065 /nfs/dbraw/zinc/43/00/65/388430065.db2.gz JYHWGCPBVIWGTJ-CYBMUJFWSA-N 1 0 238.139 2.060 10 0 BEAERO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cn[nH]c2)C12CCC2 ZINC000308396010 388437635 /nfs/dbraw/zinc/43/76/35/388437635.db2.gz PPABHNZJJLJQEE-ZMLRMANQSA-N 1 0 235.331 2.018 10 0 BEAERO [NH3+][C@H]1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000066055197 388547526 /nfs/dbraw/zinc/54/75/26/388547526.db2.gz HVSJXEBSVMLFAW-LBPRGKRZSA-N 1 0 231.274 2.348 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@H]1CC1(C)C ZINC000397599341 388482367 /nfs/dbraw/zinc/48/23/67/388482367.db2.gz LIMHIMMGZGTYIM-UPJWGTAASA-N 1 0 224.392 2.495 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@H]1CC1(C)C ZINC000397631476 388486337 /nfs/dbraw/zinc/48/63/37/388486337.db2.gz URYMQSPSDDZWOC-WISYIIOYSA-N 1 0 238.375 2.068 10 0 BEAERO CC[C@@H]([NH2+]Cc1nncn1CC)[C@H]1CC1(C)C ZINC000397654865 388487551 /nfs/dbraw/zinc/48/75/51/388487551.db2.gz BLRNNAPBAIBRLJ-GHMZBOCLSA-N 1 0 236.363 2.212 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)[C@H]1CC1(C)C ZINC000397656149 388488175 /nfs/dbraw/zinc/48/81/75/388488175.db2.gz FZRMDGIGTQRXAK-UTUOFQBUSA-N 1 0 240.391 2.314 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000397801864 388500471 /nfs/dbraw/zinc/50/04/71/388500471.db2.gz MRTONOGBCPYHPC-WOPDTQHZSA-N 1 0 210.365 2.105 10 0 BEAERO O=C1NCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC000347909431 388524202 /nfs/dbraw/zinc/52/42/02/388524202.db2.gz MDANEHBCYKDTTO-CYBMUJFWSA-N 1 0 238.375 2.215 10 0 BEAERO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000186325754 388598680 /nfs/dbraw/zinc/59/86/80/388598680.db2.gz VLBMYUZKGITICV-WCQYABFASA-N 1 0 223.316 2.123 10 0 BEAERO COC[C@@H](C)N[C@@H]1COc2cccc(Cl)c21 ZINC000367408395 388565123 /nfs/dbraw/zinc/56/51/23/388565123.db2.gz SPLHMIQQQIPLIH-PSASIEDQSA-N 1 0 241.718 2.398 10 0 BEAERO C[C@H](CCC1CC1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367687682 388566705 /nfs/dbraw/zinc/56/67/05/388566705.db2.gz LDOKIWCPIOPDAQ-JHEVNIALSA-N 1 0 209.333 2.047 10 0 BEAERO CCc1nnc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)n1C ZINC000247536758 388666543 /nfs/dbraw/zinc/66/65/43/388666543.db2.gz OSXGTXUDHQCHRN-VXGBXAGGSA-N 1 0 248.374 2.142 10 0 BEAERO CSCCCC[NH2+]Cc1cccnc1 ZINC000124927212 388667391 /nfs/dbraw/zinc/66/73/91/388667391.db2.gz RTWMBRSKFIMIFG-UHFFFAOYSA-N 1 0 210.346 2.314 10 0 BEAERO COc1ccc(CNc2cc[nH+]cc2N)cc1 ZINC000019755401 388682688 /nfs/dbraw/zinc/68/26/88/388682688.db2.gz DGDSMIPOEYZJTE-UHFFFAOYSA-N 1 0 229.283 2.285 10 0 BEAERO [NH3+]Cc1cnc(-c2ccc3c(c2)CCOC3)s1 ZINC000530248766 388640370 /nfs/dbraw/zinc/64/03/70/388640370.db2.gz SUMSJCPAWJPPQJ-UHFFFAOYSA-N 1 0 246.335 2.342 10 0 BEAERO CCOc1cccc(C[NH2+][C@@H]2CCN(CC)C2)c1 ZINC000328442716 388643452 /nfs/dbraw/zinc/64/34/52/388643452.db2.gz BABWVILDSLSWCQ-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO C[C@H]1C[C@@H](c2ccncc2Br)C[NH2+]1 ZINC000575454027 388754867 /nfs/dbraw/zinc/75/48/67/388754867.db2.gz ORPZAHBJXVDPTC-JGVFFNPUSA-N 1 0 241.132 2.310 10 0 BEAERO C[S@@](=O)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000126759723 388701222 /nfs/dbraw/zinc/70/12/22/388701222.db2.gz YVMYZWYHYDFDMN-BBRMVZONSA-N 1 0 237.368 2.032 10 0 BEAERO C[C@H]1OCC[C@@]1([NH3+])c1sccc1Cl ZINC000575449295 388728581 /nfs/dbraw/zinc/72/85/81/388728581.db2.gz GDUUIXAAUJWKOB-MUWHJKNJSA-N 1 0 217.721 2.364 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@H]1C=CCC1 ZINC000575454293 388760361 /nfs/dbraw/zinc/76/03/61/388760361.db2.gz HGCIVJOYQFLYGE-LBPRGKRZSA-N 1 0 215.300 2.019 10 0 BEAERO [NH3+][C@@]1(c2ccns2)CCCSCC1 ZINC000575454467 388763007 /nfs/dbraw/zinc/76/30/07/388763007.db2.gz YJTMVAAJPXABRX-VIFPVBQESA-N 1 0 214.359 2.214 10 0 BEAERO CC(C)Oc1ccccc1C[NH2+]CC1CC(O)C1 ZINC000091423664 388763209 /nfs/dbraw/zinc/76/32/09/388763209.db2.gz LRTYAQWDISMWDO-UHFFFAOYSA-N 1 0 249.354 2.334 10 0 BEAERO CSC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000228022177 388765325 /nfs/dbraw/zinc/76/53/25/388765325.db2.gz FYAFLHMTXFCZTF-DCAQKATOSA-N 1 0 241.400 2.285 10 0 BEAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000091538269 388767070 /nfs/dbraw/zinc/76/70/70/388767070.db2.gz QGDQIBFPCVLETN-HHISKICNSA-N 1 0 235.327 2.264 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000252709513 388772033 /nfs/dbraw/zinc/77/20/33/388772033.db2.gz DBOSAVJNYGEVON-YPMHNXCESA-N 1 0 210.365 2.249 10 0 BEAERO CC[N@@H+]1CCC[C@H](N[C@H](C)c2cscn2)C1 ZINC000252787492 388783323 /nfs/dbraw/zinc/78/33/23/388783323.db2.gz AETUNCZGALNFNL-MNOVXSKESA-N 1 0 239.388 2.278 10 0 BEAERO [NH3+][C@H](c1cncs1)[C@H]1CCCCS1 ZINC000575463411 388828364 /nfs/dbraw/zinc/82/83/64/388828364.db2.gz ZYQAZJQTIVOYHB-APPZFPTMSA-N 1 0 214.359 2.429 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000556155903 388869522 /nfs/dbraw/zinc/86/95/22/388869522.db2.gz MJZWVFDKYJOWKA-RFQIPJPRSA-N 1 0 240.391 2.016 10 0 BEAERO C[C@@H]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000129881811 388875255 /nfs/dbraw/zinc/87/52/55/388875255.db2.gz GAJRXSYJVPQOKC-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO Cc1ncc([C@@]2(F)CC[C@@H]([NH3+])C2)s1 ZINC000575491243 388913866 /nfs/dbraw/zinc/91/38/66/388913866.db2.gz UALQINNJOVDZIK-VXNVDRBHSA-N 1 0 200.282 2.128 10 0 BEAERO Cc1ncc([C@]2(F)CC[C@H]([NH3+])C2)s1 ZINC000575491241 388916443 /nfs/dbraw/zinc/91/64/43/388916443.db2.gz UALQINNJOVDZIK-CBAPKCEASA-N 1 0 200.282 2.128 10 0 BEAERO C[C@]1(c2ccc(Br)cn2)C[C@@H]1C[NH3+] ZINC000575499145 388989874 /nfs/dbraw/zinc/98/98/74/388989874.db2.gz FXYBVZGUCZZJLW-XCBNKYQSSA-N 1 0 241.132 2.080 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2sccc2Cl)C1 ZINC000575506957 388993229 /nfs/dbraw/zinc/99/32/29/388993229.db2.gz DQRRWEXVXTXTPY-VDTYLAMSSA-N 1 0 203.694 2.190 10 0 BEAERO Cc1cccc(N2CC[NH2+]C[C@@H]2C)c1C ZINC000016944969 132323728 /nfs/dbraw/zinc/32/37/28/132323728.db2.gz UFLFECLOWACYMM-NSHDSACASA-N 1 0 204.317 2.102 10 0 BEAERO Cc1ccc(N)c(N2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000036250642 132341413 /nfs/dbraw/zinc/34/14/13/132341413.db2.gz ZLCNRMXDXUDTCA-NXEZZACHSA-N 1 0 219.332 2.455 10 0 BEAERO C[C@H]1CN(c2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000049709532 132357388 /nfs/dbraw/zinc/35/73/88/132357388.db2.gz KBZPTPAOBWKPKW-UFBFGSQYSA-N 1 0 226.270 2.138 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2cccc(C[NH3+])n2)C1 ZINC000051396420 132359966 /nfs/dbraw/zinc/35/99/66/132359966.db2.gz YDRMIQHGBKFYNB-QWRGUYRKSA-N 1 0 219.332 2.023 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2cccc(C[NH3+])n2)C1 ZINC000051396419 132360077 /nfs/dbraw/zinc/36/00/77/132360077.db2.gz YDRMIQHGBKFYNB-PHIMTYICSA-N 1 0 219.332 2.023 10 0 BEAERO CC(C)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000083059668 132419629 /nfs/dbraw/zinc/41/96/29/132419629.db2.gz RWOHPJDTBKYPHR-CYBMUJFWSA-N 1 0 222.307 2.260 10 0 BEAERO C[C@@H](NCc1cc(F)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000400353144 533439990 /nfs/dbraw/zinc/43/99/90/533439990.db2.gz NNVFIACMRNNBEM-NXEZZACHSA-N 1 0 240.297 2.052 10 0 BEAERO C[C@@H](NCc1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400764470 533459681 /nfs/dbraw/zinc/45/96/81/533459681.db2.gz YYLMASQBKLDUNB-GHMZBOCLSA-N 1 0 238.762 2.428 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1ccc2ccccc2n1 ZINC000054375202 132233669 /nfs/dbraw/zinc/23/36/69/132233669.db2.gz ZHHPVIMHTHKKIZ-NSHDSACASA-N 1 0 227.311 2.033 10 0 BEAERO C[C@]1(CN2CCCc3ccccc32)CC[NH2+]C1 ZINC000062910942 132241110 /nfs/dbraw/zinc/24/11/10/132241110.db2.gz RLFRGZCCNQWHTI-HNNXBMFYSA-N 1 0 230.355 2.439 10 0 BEAERO Cc1cc(N2CCC(c3cc[nH]n3)CC2)cc[nH+]1 ZINC000302216784 132261932 /nfs/dbraw/zinc/26/19/32/132261932.db2.gz IZLXZRAYFADQOI-UHFFFAOYSA-N 1 0 242.326 2.497 10 0 BEAERO Cc1cc(C=O)ccc1N1CC[NH+](C(C)C)CC1 ZINC000002458177 132314881 /nfs/dbraw/zinc/31/48/81/132314881.db2.gz NWXNTRPAAIOJLB-UHFFFAOYSA-N 1 0 246.354 2.338 10 0 BEAERO C[NH+]1CCC(N2c3ccccc3CCC2=O)CC1 ZINC000013832016 132322427 /nfs/dbraw/zinc/32/24/27/132322427.db2.gz GHHVFWVJSZMLIP-UHFFFAOYSA-N 1 0 244.338 2.060 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1cccc(C)c1 ZINC000016945033 132323633 /nfs/dbraw/zinc/32/36/33/132323633.db2.gz CSTDCZQTXXVEDZ-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccc(N2CCC([NH3+])CC2)cc1C ZINC000019431667 132324820 /nfs/dbraw/zinc/32/48/20/132324820.db2.gz DNZWTJOWRNJTIQ-UHFFFAOYSA-N 1 0 204.317 2.231 10 0 BEAERO Cc1ccc2c(c1)CCCN2C1CC[NH2+]CC1 ZINC000019433067 132324977 /nfs/dbraw/zinc/32/49/77/132324977.db2.gz BCDXETCFIGTXRC-UHFFFAOYSA-N 1 0 230.355 2.500 10 0 BEAERO [NH3+]C1CCN(c2cccc3ncccc32)CC1 ZINC000019488194 132325726 /nfs/dbraw/zinc/32/57/26/132325726.db2.gz NWYJKLAWYBQUKQ-UHFFFAOYSA-N 1 0 227.311 2.162 10 0 BEAERO CC[NH+](CC)CCN1CCCc2cc(N)ccc21 ZINC000019875241 132328695 /nfs/dbraw/zinc/32/86/95/132328695.db2.gz VKRXXFLKWSHTGI-UHFFFAOYSA-N 1 0 247.386 2.363 10 0 BEAERO CC(C)[C@@H]([NH3+])CN1CCCc2ccccc21 ZINC000020073718 132329333 /nfs/dbraw/zinc/32/93/33/132329333.db2.gz JJZIVDREEROMJP-ZDUSSCGKSA-N 1 0 218.344 2.423 10 0 BEAERO C[NH2+]CCN1c2ccccc2CC[C@H]1C ZINC000020072345 132329460 /nfs/dbraw/zinc/32/94/60/132329460.db2.gz JRUUJLWIIZFITI-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO CC[NH+](CC)CCN1CCNc2ccccc21 ZINC000020263260 132330365 /nfs/dbraw/zinc/33/03/65/132330365.db2.gz INTDXUBVJCBISZ-UHFFFAOYSA-N 1 0 233.359 2.260 10 0 BEAERO C[C@@H]1CN(c2cccc(Cl)c2C[NH3+])CCO1 ZINC000020469610 132331813 /nfs/dbraw/zinc/33/18/13/132331813.db2.gz DXWNZBCEBUIFIN-SECBINFHSA-N 1 0 240.734 2.024 10 0 BEAERO CC[C@H](C[NH3+])N1CCCc2ccccc21 ZINC000022178528 132332611 /nfs/dbraw/zinc/33/26/11/132332611.db2.gz PVSJCJZSPCRCSF-GFCCVEGCSA-N 1 0 204.317 2.177 10 0 BEAERO CC(C)[NH2+]Cc1ccccc1N1CCC(O)CC1 ZINC000034824092 132337154 /nfs/dbraw/zinc/33/71/54/132337154.db2.gz ICNLPWXEYFLBCR-UHFFFAOYSA-N 1 0 248.370 2.146 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1ccccc1Cl ZINC000035940211 132339992 /nfs/dbraw/zinc/33/99/92/132339992.db2.gz FWVMIKAOFFJLOT-SECBINFHSA-N 1 0 210.708 2.138 10 0 BEAERO CC(C)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037186807 132343578 /nfs/dbraw/zinc/34/35/78/132343578.db2.gz HMQKCSYQDWGDNG-LBPRGKRZSA-N 1 0 232.327 2.340 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186672 132343581 /nfs/dbraw/zinc/34/35/81/132343581.db2.gz WWUUKOYBNJJXRX-CMPLNLGQSA-N 1 0 232.327 2.482 10 0 BEAERO CC(C)CC[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000037090131 132343604 /nfs/dbraw/zinc/34/36/04/132343604.db2.gz YJNLZCSYFHNDCZ-ZDUSSCGKSA-N 1 0 248.374 2.081 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090186 132343730 /nfs/dbraw/zinc/34/37/30/132343730.db2.gz RJRLQCAPMHLOHM-CHWSQXEVSA-N 1 0 248.374 2.080 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186671 132343763 /nfs/dbraw/zinc/34/37/63/132343763.db2.gz WWUUKOYBNJJXRX-ZYHUDNBSSA-N 1 0 232.327 2.482 10 0 BEAERO CCc1cccc(N2CCC([NH2+]C)CC2)c1 ZINC000037241908 132343900 /nfs/dbraw/zinc/34/39/00/132343900.db2.gz QPUCOOHEZPGCTE-UHFFFAOYSA-N 1 0 218.344 2.437 10 0 BEAERO C[NH2+]C1CCN(c2cc(F)cc(F)c2)CC1 ZINC000037241994 132343949 /nfs/dbraw/zinc/34/39/49/132343949.db2.gz FVMGPMQRUGGHHQ-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO FC(F)Sc1ccccc1N1CC[NH2+]CC1 ZINC000037483448 132344723 /nfs/dbraw/zinc/34/47/23/132344723.db2.gz GLEFYNCMPQICLP-UHFFFAOYSA-N 1 0 244.310 2.411 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1cc(Cl)ccc1F ZINC000038247137 132346086 /nfs/dbraw/zinc/34/60/86/132346086.db2.gz DHQGBGMOFXIOBH-QMMMGPOBSA-N 1 0 228.698 2.277 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1ccc(Cl)c(F)c1 ZINC000038247136 132346113 /nfs/dbraw/zinc/34/61/13/132346113.db2.gz VNFJVUAMNMWJRT-MRVPVSSYSA-N 1 0 228.698 2.277 10 0 BEAERO Cc1ccc(N2CC[NH2+]C(C)(C)C2)c(C)c1 ZINC000041232123 132349702 /nfs/dbraw/zinc/34/97/02/132349702.db2.gz QIQZBJABBDWUJL-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC000042409348 132351485 /nfs/dbraw/zinc/35/14/85/132351485.db2.gz QVZZDRZMTITVHY-LBPRGKRZSA-N 1 0 218.344 2.437 10 0 BEAERO Cc1ccc(F)cc1N1CCC[C@H]([NH3+])C1 ZINC000043470524 132353107 /nfs/dbraw/zinc/35/31/07/132353107.db2.gz HVYJPOBWYRUBTM-NSHDSACASA-N 1 0 208.280 2.062 10 0 BEAERO C[NH+](C)CC1CCN(c2ccccc2N)CC1 ZINC000044412398 132353980 /nfs/dbraw/zinc/35/39/80/132353980.db2.gz NHGXUUONJWEXAL-UHFFFAOYSA-N 1 0 233.359 2.047 10 0 BEAERO [NH3+]Cc1ccccc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000044420325 132354001 /nfs/dbraw/zinc/35/40/01/132354001.db2.gz YPTABHYJLQVAPD-GJZGRUSLSA-N 1 0 246.354 2.293 10 0 BEAERO C[NH2+]C1CCN(c2cccc(COC)c2)CC1 ZINC000049508955 132355835 /nfs/dbraw/zinc/35/58/35/132355835.db2.gz NIVHYIBOENDPQF-UHFFFAOYSA-N 1 0 234.343 2.021 10 0 BEAERO COc1ccccc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049694240 132356774 /nfs/dbraw/zinc/35/67/74/132356774.db2.gz RTAIYGMYCYCBOR-QWRGUYRKSA-N 1 0 220.316 2.011 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1cc(F)ccc1F ZINC000049707931 132356914 /nfs/dbraw/zinc/35/69/14/132356914.db2.gz VRQXGAWWQWQAMY-SCZZXKLOSA-N 1 0 226.270 2.281 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2)C[C@H]1C ZINC000049708554 132356968 /nfs/dbraw/zinc/35/69/68/132356968.db2.gz LRDATVWTMLILGT-MFKMUULPSA-N 1 0 222.307 2.260 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccccc1F ZINC000049708732 132357200 /nfs/dbraw/zinc/35/72/00/132357200.db2.gz FDEFOONQRZUILW-ZJUUUORDSA-N 1 0 208.280 2.142 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(F)cc1 ZINC000049708566 132357214 /nfs/dbraw/zinc/35/72/14/132357214.db2.gz HJEJGOHUQQHZGB-MWLCHTKSSA-N 1 0 208.280 2.142 10 0 BEAERO Cc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc1F ZINC000049708848 132357220 /nfs/dbraw/zinc/35/72/20/132357220.db2.gz VMMZLNXKLYHTEC-ZWNOBZJWSA-N 1 0 222.307 2.308 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(F)cc1F ZINC000049708764 132357259 /nfs/dbraw/zinc/35/72/59/132357259.db2.gz VXIJBBTXPFOHGG-PSASIEDQSA-N 1 0 226.270 2.281 10 0 BEAERO C[C@@H]1CN(c2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000049709529 132357360 /nfs/dbraw/zinc/35/73/60/132357360.db2.gz KBZPTPAOBWKPKW-PELKAZGASA-N 1 0 226.270 2.138 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(OC)c2)C[C@@H]1C ZINC000049709820 132357368 /nfs/dbraw/zinc/35/73/68/132357368.db2.gz YPKIXDGPVCFAKO-FZMZJTMJSA-N 1 0 234.343 2.129 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(OC)c2)C[C@H]1C ZINC000049709819 132357393 /nfs/dbraw/zinc/35/73/93/132357393.db2.gz YPKIXDGPVCFAKO-RISCZKNCSA-N 1 0 234.343 2.129 10 0 BEAERO Cc1ccc(F)cc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049709628 132357406 /nfs/dbraw/zinc/35/74/06/132357406.db2.gz BOAHNANVTRAITP-ZYHUDNBSSA-N 1 0 222.307 2.308 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1cc(F)cc(F)c1 ZINC000049709559 132357414 /nfs/dbraw/zinc/35/74/14/132357414.db2.gz DSCJOMKDNOBEOD-KWQFWETISA-N 1 0 226.270 2.281 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1cc(F)cc(F)c1 ZINC000049709554 132357428 /nfs/dbraw/zinc/35/74/28/132357428.db2.gz DSCJOMKDNOBEOD-GZMMTYOYSA-N 1 0 226.270 2.281 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(N(C)C)cc2)C[C@H]1C ZINC000049711469 132357693 /nfs/dbraw/zinc/35/76/93/132357693.db2.gz LOKYWIBDDRIPSH-DOMZBBRYSA-N 1 0 247.386 2.187 10 0 BEAERO C[C@H]1CN(c2cccc3cnccc32)CC[C@@H]1[NH3+] ZINC000049711499 132357761 /nfs/dbraw/zinc/35/77/61/132357761.db2.gz JOEOKZISMWJEHY-FZMZJTMJSA-N 1 0 241.338 2.408 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000049711487 132357767 /nfs/dbraw/zinc/35/77/67/132357767.db2.gz ITUSKGBASKHSAU-OLZOCXBDSA-N 1 0 247.386 2.329 10 0 BEAERO CCOc1cccc(N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049714325 132358064 /nfs/dbraw/zinc/35/80/64/132358064.db2.gz XDDBAJDUJJCVEB-RYUDHWBXSA-N 1 0 234.343 2.401 10 0 BEAERO C[C@H](C[NH3+])CCN1CCCc2ccccc21 ZINC000049816964 132358154 /nfs/dbraw/zinc/35/81/54/132358154.db2.gz UMWAYVOGIQONAB-LBPRGKRZSA-N 1 0 218.344 2.424 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1c1cc[nH+]cc1N ZINC000050564065 132359080 /nfs/dbraw/zinc/35/90/80/132359080.db2.gz IYTMURYYHDVBKQ-VHSXEESVSA-N 1 0 205.305 2.289 10 0 BEAERO CC1CCN(c2ncc(C[NH3+])cc2Cl)CC1 ZINC000051396111 132360007 /nfs/dbraw/zinc/36/00/07/132360007.db2.gz NUHJUBIIWLIATM-UHFFFAOYSA-N 1 0 239.750 2.430 10 0 BEAERO C[NH2+]Cc1cccc(N2CCC[C@@H](C)C2)n1 ZINC000051399860 132360728 /nfs/dbraw/zinc/36/07/28/132360728.db2.gz HBSVDJLSNLPFRQ-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO CCO[C@H]1CCCN(c2cc(C)ccc2C[NH3+])C1 ZINC000051579563 132361626 /nfs/dbraw/zinc/36/16/26/132361626.db2.gz OSYIHIKKCZNNCL-AWEZNQCLSA-N 1 0 248.370 2.459 10 0 BEAERO CN1c2ccccc2[C@H]([NH2+]C2CCC2)CC1=O ZINC000052208587 132362214 /nfs/dbraw/zinc/36/22/14/132362214.db2.gz OJDBEXDXNXVONR-GFCCVEGCSA-N 1 0 230.311 2.236 10 0 BEAERO COCC[C@@H]([NH3+])CN1c2ccccc2CC[C@@H]1C ZINC000052810539 132362462 /nfs/dbraw/zinc/36/24/62/132362462.db2.gz PXLFCILMDGZXCG-GXTWGEPZSA-N 1 0 248.370 2.192 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1c1cc(C(C)C)ncn1 ZINC000053706823 132363311 /nfs/dbraw/zinc/36/33/11/132363311.db2.gz LSQURYWFMMJXEY-GFCCVEGCSA-N 1 0 248.374 2.178 10 0 BEAERO Cc1nccc(N2CCCC[C@@H]2C[NH2+]C(C)C)n1 ZINC000054937616 132365088 /nfs/dbraw/zinc/36/50/88/132365088.db2.gz HXUQTVVPEBJRHN-CYBMUJFWSA-N 1 0 248.374 2.142 10 0 BEAERO Cc1nc(N2CCCCC2)nc(C)c1[C@H](C)C[NH3+] ZINC000054837214 132365172 /nfs/dbraw/zinc/36/51/72/132365172.db2.gz DILCHUUAGYHSJT-SNVBAGLBSA-N 1 0 248.374 2.146 10 0 BEAERO [NH3+]C1CCN(c2ccc(N3CCCC3)cc2)CC1 ZINC000057535260 132365818 /nfs/dbraw/zinc/36/58/18/132365818.db2.gz NEWUCWHBOYDVBB-UHFFFAOYSA-N 1 0 245.370 2.214 10 0 BEAERO Cc1cc(N)ccc1N1CC[NH+](C(C)C)CC1 ZINC000057579530 132365860 /nfs/dbraw/zinc/36/58/60/132365860.db2.gz FIQQRBYHLJVKKP-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO CCN(CC)c1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000057956380 132367594 /nfs/dbraw/zinc/36/75/94/132367594.db2.gz QPWONFMONKKDOE-CYBMUJFWSA-N 1 0 247.386 2.460 10 0 BEAERO Cc1cccc(N2CC[NH2+]C(C)(C)C2)c1 ZINC000058439722 132368173 /nfs/dbraw/zinc/36/81/73/132368173.db2.gz CRPTWIQYSVYFRB-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1c1ccc(F)cc1 ZINC000058444127 132368204 /nfs/dbraw/zinc/36/82/04/132368204.db2.gz DOFJISXIXMXKPT-JTQLQIEISA-N 1 0 222.307 2.402 10 0 BEAERO CC1(C)CCN(c2ccnc(C[NH3+])c2)CC1 ZINC000061817970 132387228 /nfs/dbraw/zinc/38/72/28/132387228.db2.gz DUYPVTFGSRTKKT-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO Cc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1C ZINC000071520919 132393140 /nfs/dbraw/zinc/39/31/40/132393140.db2.gz HHDZSKPZFRXZPO-OLZOCXBDSA-N 1 0 218.344 2.490 10 0 BEAERO COc1ccc(C)cc1N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000071544821 132393500 /nfs/dbraw/zinc/39/35/00/132393500.db2.gz CODPSRBHZLPPOY-RYUDHWBXSA-N 1 0 234.343 2.190 10 0 BEAERO C[C@@H]1CCN(c2ccncc2Cl)[C@@H](C[NH3+])C1 ZINC000235371264 132395473 /nfs/dbraw/zinc/39/54/73/132395473.db2.gz QJNKEXDNRSXBMN-NXEZZACHSA-N 1 0 239.750 2.299 10 0 BEAERO Cc1ccccc1N1CC[NH2+]C[C@H]1C(C)C ZINC000083086541 132419997 /nfs/dbraw/zinc/41/99/97/132419997.db2.gz GAQDMSNJYOBVOB-AWEZNQCLSA-N 1 0 218.344 2.429 10 0 BEAERO Cc1cc(F)ccc1N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000083085124 132420341 /nfs/dbraw/zinc/42/03/41/132420341.db2.gz RKFOGAKCALLXQP-MNOVXSKESA-N 1 0 222.307 2.321 10 0 BEAERO Cc1cccc(N2CC[NH2+]C[C@@H]2C(C)C)c1 ZINC000083086536 132420425 /nfs/dbraw/zinc/42/04/25/132420425.db2.gz WHJQMVNANXIWGS-CQSZACIVSA-N 1 0 218.344 2.429 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1cccc2ncccc21 ZINC000083355593 132422186 /nfs/dbraw/zinc/42/21/86/132422186.db2.gz HBXXXWOXNXDJGM-LLVKDONJSA-N 1 0 227.311 2.033 10 0 BEAERO Clc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000090824881 132427766 /nfs/dbraw/zinc/42/77/66/132427766.db2.gz IXZQIJAHIBXHKW-LLVKDONJSA-N 1 0 237.734 2.019 10 0 BEAERO CC(C)CCNc1nc(C[C@H](C)[NH3+])cs1 ZINC000028509750 166868936 /nfs/dbraw/zinc/86/89/36/166868936.db2.gz FOKNXPIQYCNBNI-VIFPVBQESA-N 1 0 227.377 2.491 10 0 BEAERO CCOC(=O)CC[NH2+][C@H](C)C1CCCC1 ZINC000054081449 133508198 /nfs/dbraw/zinc/50/81/98/133508198.db2.gz MWKAWAUJGWCCSG-SNVBAGLBSA-N 1 0 213.321 2.108 10 0 BEAERO CC(C)[N@H+](C[C@H](C)O)C[C@@H]1CC=CCC1 ZINC000219775812 133523919 /nfs/dbraw/zinc/52/39/19/133523919.db2.gz ARCGEBQHNQTZGS-QWHCGFSZSA-N 1 0 211.349 2.434 10 0 BEAERO C[C@H]1CCCN(c2nc3ccccc3[nH]2)[C@H]1C[NH3+] ZINC000252218475 133649229 /nfs/dbraw/zinc/64/92/29/133649229.db2.gz YJXVADPGWPLQJA-GWCFXTLKSA-N 1 0 244.342 2.127 10 0 BEAERO C[C@@H]1C[NH+](C2CC(OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000335987588 134039037 /nfs/dbraw/zinc/03/90/37/134039037.db2.gz APJGHTXPCDKSLZ-OKZRHMCRSA-N 1 0 241.375 2.442 10 0 BEAERO C[C@H]1C[NH+](C2CC(OC(C)(C)C)C2)C[C@H](C)O1 ZINC000335987589 134039050 /nfs/dbraw/zinc/03/90/50/134039050.db2.gz APJGHTXPCDKSLZ-ZSVAQUKISA-N 1 0 241.375 2.442 10 0 BEAERO CC(C)CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000335990067 134039657 /nfs/dbraw/zinc/03/96/57/134039657.db2.gz FTUCMFIANYBWCW-QWHCGFSZSA-N 1 0 238.375 2.118 10 0 BEAERO C[C@@H]1CC[C@]2(CC[N@H+](CCC3(O)CC3)C2)C1 ZINC000336171426 134115363 /nfs/dbraw/zinc/11/53/63/134115363.db2.gz CQTWKGQLSVZRAD-OLZOCXBDSA-N 1 0 223.360 2.414 10 0 BEAERO C[C@@H]([NH3+])CN1CCCC[C@@H]1c1nccs1 ZINC000336171828 134115564 /nfs/dbraw/zinc/11/55/64/134115564.db2.gz YEKXLJXSIDYUDW-NXEZZACHSA-N 1 0 225.361 2.017 10 0 BEAERO O=C(CC1=CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170946074 134255707 /nfs/dbraw/zinc/25/57/07/134255707.db2.gz NNMWFCOMSIFQJM-AWEZNQCLSA-N 1 0 248.370 2.184 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C ZINC000175835848 134289086 /nfs/dbraw/zinc/28/90/86/134289086.db2.gz XAUPVQSSBDJAAR-OLZOCXBDSA-N 1 0 238.375 2.260 10 0 BEAERO C[C@H]([NH2+][C@@H](C)C1CCC1)c1nnc2n1CCCC2 ZINC000178075010 134303065 /nfs/dbraw/zinc/30/30/65/134303065.db2.gz DWZNCKRENSNTLC-QWRGUYRKSA-N 1 0 248.374 2.454 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](CCC1CC1)CC2 ZINC000220406132 134305433 /nfs/dbraw/zinc/30/54/33/134305433.db2.gz FGIPUCAFIZMHPC-KGLIPLIRSA-N 1 0 223.360 2.414 10 0 BEAERO O[C@H]1c2ccccc2C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000178354455 134308833 /nfs/dbraw/zinc/30/88/33/134308833.db2.gz RVUJNMISBNJZPG-ZBFHGGJFSA-N 1 0 243.350 2.423 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178684827 134312838 /nfs/dbraw/zinc/31/28/38/134312838.db2.gz YLRWLWPFPJLPDN-DRFYQUMISA-N 1 0 237.368 2.483 10 0 BEAERO Cc1csc2c1ncnc2NCC[C@H](C)[NH3+] ZINC000222334318 134328784 /nfs/dbraw/zinc/32/87/84/134328784.db2.gz BAJUVGUNYKCKBO-QMMMGPOBSA-N 1 0 236.344 2.149 10 0 BEAERO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180488135 134328827 /nfs/dbraw/zinc/32/88/27/134328827.db2.gz NQVXTIRIECMQPS-BFHYXJOUSA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182682102 134346969 /nfs/dbraw/zinc/34/69/69/134346969.db2.gz KGMBXMIFARLQQX-WDEREUQCSA-N 1 0 222.336 2.378 10 0 BEAERO COC(=O)[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226183187 134359818 /nfs/dbraw/zinc/35/98/18/134359818.db2.gz XMQNBLYRGOAAHQ-WRWGMCAJSA-N 1 0 227.348 2.210 10 0 BEAERO CCC(CC)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226457583 134363407 /nfs/dbraw/zinc/36/34/07/134363407.db2.gz OHRWEBNJBARFPS-LBPRGKRZSA-N 1 0 226.364 2.023 10 0 BEAERO Cc1cncc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000226400764 134365409 /nfs/dbraw/zinc/36/54/09/134365409.db2.gz OJLOJOOMGQNTMS-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO COc1c(C[NH2+]CC2(C)CCC2)c(C)nn1C ZINC000226787478 134369093 /nfs/dbraw/zinc/36/90/93/134369093.db2.gz GWWQRYDUVQCPLD-UHFFFAOYSA-N 1 0 237.347 2.017 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000227061942 134374285 /nfs/dbraw/zinc/37/42/85/134374285.db2.gz VSXJQRKUXZGIMD-BPLDGKMQSA-N 1 0 231.339 2.425 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1CCO[C@@H]2CCCC[C@H]21 ZINC000227165782 134376235 /nfs/dbraw/zinc/37/62/35/134376235.db2.gz GDEYBYFOSMAWJU-BFHYXJOUSA-N 1 0 240.391 2.003 10 0 BEAERO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(C)n1CC ZINC000185596256 134382509 /nfs/dbraw/zinc/38/25/09/134382509.db2.gz ADJGEMJDIICIKG-JQWIXIFHSA-N 1 0 236.363 2.227 10 0 BEAERO OCC[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000227567609 134383331 /nfs/dbraw/zinc/38/33/31/134383331.db2.gz ISGCDDSHIHSREW-SZTZYQKNSA-N 1 0 231.339 2.404 10 0 BEAERO Cc1cccc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000227738488 134385858 /nfs/dbraw/zinc/38/58/58/134385858.db2.gz MLLWMLOJDLGUJM-LBPRGKRZSA-N 1 0 221.348 2.200 10 0 BEAERO CC1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000063144485 134510629 /nfs/dbraw/zinc/51/06/29/134510629.db2.gz QRYRCUUJZGGOEF-BPCQOVAHSA-N 1 0 211.349 2.439 10 0 BEAERO CCCCCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000231479787 134542104 /nfs/dbraw/zinc/54/21/04/134542104.db2.gz WYXFLEAVBBZTFF-LBPRGKRZSA-N 1 0 226.364 2.167 10 0 BEAERO Cc1c[nH+]ccc1N1CCC[C@@H]1c1cnn(C)c1 ZINC000191980485 134581085 /nfs/dbraw/zinc/58/10/85/134581085.db2.gz ZKZJCZBFWGWMCE-CQSZACIVSA-N 1 0 242.326 2.465 10 0 BEAERO C[C@H](C(=O)NCCCCC[NH3+])c1ccccc1 ZINC000235414716 134592613 /nfs/dbraw/zinc/59/26/13/134592613.db2.gz LMXPFHOLWJYYHN-LBPRGKRZSA-N 1 0 234.343 2.035 10 0 BEAERO CSC[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000131539116 134631049 /nfs/dbraw/zinc/63/10/49/134631049.db2.gz UVXCWKYYIUYOLL-RKDXNWHRSA-N 1 0 205.392 2.223 10 0 BEAERO Cc1csc([C@@H]2CCC[N@@H+](C[C@H](C)O)C2)n1 ZINC000248706108 135019759 /nfs/dbraw/zinc/01/97/59/135019759.db2.gz ANESQSSBBBQUOF-WDEREUQCSA-N 1 0 240.372 2.012 10 0 BEAERO CSC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000249434230 135039062 /nfs/dbraw/zinc/03/90/62/135039062.db2.gz ICSDNOPPHMSMBD-MNOVXSKESA-N 1 0 241.356 2.140 10 0 BEAERO C[C@@H](CC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)(C)C ZINC000251755484 135076984 /nfs/dbraw/zinc/07/69/84/135076984.db2.gz LNGURUDCQJUIMV-WOPDTQHZSA-N 1 0 240.391 2.173 10 0 BEAERO CSCCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252520517 135092073 /nfs/dbraw/zinc/09/20/73/135092073.db2.gz QKKJJDPGHJXLNK-OLZOCXBDSA-N 1 0 242.432 2.298 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cs1 ZINC000252687852 135096756 /nfs/dbraw/zinc/09/67/56/135096756.db2.gz MMFUUHVDEIOXLC-NRPADANISA-N 1 0 226.345 2.280 10 0 BEAERO CS[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252744430 135106405 /nfs/dbraw/zinc/10/64/05/135106405.db2.gz RVZMPJREYOWZRP-LMLFDSFASA-N 1 0 229.389 2.141 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000087128952 135106784 /nfs/dbraw/zinc/10/67/84/135106784.db2.gz OMDKABLLROZFNL-KXUCPTDWSA-N 1 0 211.280 2.246 10 0 BEAERO CC[C@@H]([NH2+]C1COC1)c1ccc(C)cc1 ZINC000087194689 135111052 /nfs/dbraw/zinc/11/10/52/135111052.db2.gz TWCAYWPKQXVEKZ-CYBMUJFWSA-N 1 0 205.301 2.435 10 0 BEAERO c1sc2ccccc2c1C[NH2+]C1COC1 ZINC000087194503 135111571 /nfs/dbraw/zinc/11/15/71/135111571.db2.gz CGOWJADIZBOXEQ-UHFFFAOYSA-N 1 0 219.309 2.390 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252813930 135111607 /nfs/dbraw/zinc/11/16/07/135111607.db2.gz ILTYQPYPBNKSQL-SDDRHHMPSA-N 1 0 229.389 2.023 10 0 BEAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253086809 135120068 /nfs/dbraw/zinc/12/00/68/135120068.db2.gz CJRJAVFCYVWCMB-SYQHCUMBSA-N 1 0 241.375 2.037 10 0 BEAERO COC[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253086512 135120507 /nfs/dbraw/zinc/12/05/07/135120507.db2.gz BQEUDUGSBOMBDB-REWJHTLYSA-N 1 0 241.375 2.037 10 0 BEAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CC1 ZINC000253097594 135121284 /nfs/dbraw/zinc/12/12/84/135121284.db2.gz RUGNOGCTQBZGMN-BFHYXJOUSA-N 1 0 223.360 2.412 10 0 BEAERO C[C@H]1CN(C[C@@H]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000261533099 135164052 /nfs/dbraw/zinc/16/40/52/135164052.db2.gz POCLCQHUOQZLOT-WDEREUQCSA-N 1 0 232.318 2.106 10 0 BEAERO [NH3+][C@H]1CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533085 135164526 /nfs/dbraw/zinc/16/45/26/135164526.db2.gz KALUORYYDAPINQ-MNOVXSKESA-N 1 0 232.318 2.235 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1nc(C)cc(C)n1 ZINC000087780207 135168479 /nfs/dbraw/zinc/16/84/79/135168479.db2.gz ILNPAMCNSWWESM-LLVKDONJSA-N 1 0 222.336 2.023 10 0 BEAERO C[C@H](CC1CC1)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261544670 135185981 /nfs/dbraw/zinc/18/59/81/135185981.db2.gz FDQDIKJPTXDIPK-KGYLQXTDSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H](CC1CC1)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261544673 135186131 /nfs/dbraw/zinc/18/61/31/135186131.db2.gz FDQDIKJPTXDIPK-WXHSDQCUSA-N 1 0 238.375 2.199 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261554877 135194276 /nfs/dbraw/zinc/19/42/76/135194276.db2.gz PGICCSZHWSDYDD-SCRDCRAPSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@H]([NH2+]Cc1ccn(C)n1)C(C)(C)C ZINC000163913453 135208286 /nfs/dbraw/zinc/20/82/86/135208286.db2.gz SGNIZSZAVUUEQP-NSHDSACASA-N 1 0 209.337 2.334 10 0 BEAERO CCN(C(=O)[C@@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000163839101 135209091 /nfs/dbraw/zinc/20/90/91/135209091.db2.gz APSPICMKZXDDKA-NSHDSACASA-N 1 0 238.375 2.023 10 0 BEAERO Cc1ncc(CN2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261588404 135229157 /nfs/dbraw/zinc/22/91/57/135229157.db2.gz SJMPSYROOQKDHZ-NSHDSACASA-N 1 0 239.388 2.011 10 0 BEAERO CC1(C)CN(c2ccc(Cl)cn2)CC[C@@H]1[NH3+] ZINC000261591464 135232080 /nfs/dbraw/zinc/23/20/80/135232080.db2.gz VKWVGJGQEIREAV-JTQLQIEISA-N 1 0 239.750 2.299 10 0 BEAERO CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261620682 135244401 /nfs/dbraw/zinc/24/44/01/135244401.db2.gz ATEZGSDKNHYZCF-LOWDOPEQSA-N 1 0 238.375 2.056 10 0 BEAERO CCC[C@@H](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261671028 135244980 /nfs/dbraw/zinc/24/49/80/135244980.db2.gz AEIVCRUEBPPDLS-VXGBXAGGSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@H]1CCN(C(=O)CCC2CCC2)[C@H](C[NH3+])C1 ZINC000261684693 135246004 /nfs/dbraw/zinc/24/60/04/135246004.db2.gz DMKNEVRPXOAFCM-AAEUAGOBSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1(C)CC1 ZINC000261752855 135249726 /nfs/dbraw/zinc/24/97/26/135249726.db2.gz MWNYRNLIYJZFAR-QJPTWQEYSA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261759108 135250820 /nfs/dbraw/zinc/25/08/20/135250820.db2.gz NIJQAFUYVQUTOM-FVCCEPFGSA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@]1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261783580 135252698 /nfs/dbraw/zinc/25/26/98/135252698.db2.gz POXBBGQCTIBHIK-YRGRVCCFSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261805033 135254200 /nfs/dbraw/zinc/25/42/00/135254200.db2.gz JDZLRTBYCWOSNL-NWDGAFQWSA-N 1 0 240.391 2.254 10 0 BEAERO CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261807712 135254395 /nfs/dbraw/zinc/25/43/95/135254395.db2.gz NDARFINENFZBHI-FMCLSXCISA-N 1 0 238.375 2.008 10 0 BEAERO Cc1cc([C@H](C)NC(=O)C[C@H](C)[NH3+])ccc1F ZINC000261867820 135258258 /nfs/dbraw/zinc/25/82/58/135258258.db2.gz QICLDPADBLEKHT-UWVGGRQHSA-N 1 0 238.306 2.049 10 0 BEAERO C[C@@]1(CN2CCCc3c(N)cccc32)CC[NH2+]C1 ZINC000261891448 135261025 /nfs/dbraw/zinc/26/10/25/135261025.db2.gz TXABMJNNPRESNR-OAHLLOKOSA-N 1 0 245.370 2.021 10 0 BEAERO Cc1[nH+]ccc(N[C@H](C)[C@@H](C)O)c1Cl ZINC000307142298 135383826 /nfs/dbraw/zinc/38/38/26/135383826.db2.gz KFPHZGVSVRXMRS-HTRCEHHLSA-N 1 0 214.696 2.225 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000084224931 135468125 /nfs/dbraw/zinc/46/81/25/135468125.db2.gz WUYKMNCCUPINSB-YNEHKIRRSA-N 1 0 209.333 2.093 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1cc(C(F)(F)F)ccn1 ZINC000090804035 135553978 /nfs/dbraw/zinc/55/39/78/135553978.db2.gz SEAXZGPRMBUTFP-SECBINFHSA-N 1 0 247.264 2.496 10 0 BEAERO COc1cc([C@@H]2CC[NH2+]C2)cc(F)c1F ZINC000215654922 135554458 /nfs/dbraw/zinc/55/44/58/135554458.db2.gz YTPQHHDEAKDEBB-SSDOTTSWSA-N 1 0 213.227 2.050 10 0 BEAERO C[C@H](NCC[NH2+]C(C)(C)C)c1cccnc1 ZINC000230969343 135573039 /nfs/dbraw/zinc/57/30/39/135573039.db2.gz YHPNSUPXZWWKSP-NSHDSACASA-N 1 0 221.348 2.120 10 0 BEAERO Cc1ccoc1C[N@@H+]1CCC[C@H]1CCCO ZINC000092785240 135583121 /nfs/dbraw/zinc/58/31/21/135583121.db2.gz YNGKNABOGCBZED-LBPRGKRZSA-N 1 0 223.316 2.325 10 0 BEAERO [NH3+][C@H]1CC[C@@H](c2nc(Cc3ccccc3)no2)C1 ZINC000097067614 135629509 /nfs/dbraw/zinc/62/95/09/135629509.db2.gz NVNNGZKNOJKVOL-NEPJUHHUSA-N 1 0 243.310 2.255 10 0 BEAERO CCCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334794659 135815254 /nfs/dbraw/zinc/81/52/54/135815254.db2.gz CRSIGNOZTXMFBB-NWDGAFQWSA-N 1 0 209.333 2.287 10 0 BEAERO C[C@H]1CCC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000334855438 135824864 /nfs/dbraw/zinc/82/48/64/135824864.db2.gz XLFAUAQMAJKAEH-IUCAKERBSA-N 1 0 221.304 2.311 10 0 BEAERO Cc1ccc2oc(N3CC[C@H]([NH3+])[C@@H](C)C3)nc2c1 ZINC000335294158 136005420 /nfs/dbraw/zinc/00/54/20/136005420.db2.gz AJUXJSGWRLLKGW-QWRGUYRKSA-N 1 0 245.326 2.310 10 0 BEAERO CCc1nnc(C[NH2+][C@H]2CCC[C@H]2CC)n1C ZINC000348149135 136040077 /nfs/dbraw/zinc/04/00/77/136040077.db2.gz IZAZXXNNNJQIIT-MNOVXSKESA-N 1 0 236.363 2.046 10 0 BEAERO C[C@@H]1CCC[C@@H](C)[N@H+](CCC2(O)CC2)C1 ZINC000335375040 136085352 /nfs/dbraw/zinc/08/53/52/136085352.db2.gz VPKARLOILRQOBE-VXGBXAGGSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H]1C[C@@H]([NH+]2CCC(c3cc[nH]n3)CC2)CCO1 ZINC000335379839 136086897 /nfs/dbraw/zinc/08/68/97/136086897.db2.gz UEMOSPDFUMCDJB-YPMHNXCESA-N 1 0 249.358 2.157 10 0 BEAERO Cc1cnc([C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)o1 ZINC000335401018 136094358 /nfs/dbraw/zinc/09/43/58/136094358.db2.gz UTWZKPWIUUIJAK-GHMZBOCLSA-N 1 0 237.347 2.103 10 0 BEAERO C[N@H+](C[C@@H]1CC=CCC1)[C@@H]1CCC[C@H]1O ZINC000348545386 136096062 /nfs/dbraw/zinc/09/60/62/136096062.db2.gz CMSNUXTYYUNBLY-JHJVBQTASA-N 1 0 209.333 2.188 10 0 BEAERO C[C@@H]1[C@@H](O)CCCN1Cc1ccncc1Cl ZINC000335595386 136104584 /nfs/dbraw/zinc/10/45/84/136104584.db2.gz BUVRIYLMYXQJFM-SKDRFNHKSA-N 1 0 240.734 2.080 10 0 BEAERO COC[C@H](C)C[NH2+][C@H]1CCc2c1cccc2O ZINC000045657352 322844203 /nfs/dbraw/zinc/84/42/03/322844203.db2.gz AQRSJSQVCDYMLN-MFKMUULPSA-N 1 0 235.327 2.252 10 0 BEAERO COc1ccc(CNc2cc[nH+]cc2)cn1 ZINC000062055156 1172734254 /nfs/dbraw/zinc/73/42/54/1172734254.db2.gz CTBVUNVMRLMBBQ-UHFFFAOYSA-N 1 0 215.256 2.097 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2CC=CCC2)C1 ZINC000402170308 533673920 /nfs/dbraw/zinc/67/39/20/533673920.db2.gz TXORMMZRVAAPRB-FRRDWIJNSA-N 1 0 209.333 2.045 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000401928080 533673993 /nfs/dbraw/zinc/67/39/93/533673993.db2.gz ATGJDTSLAKKSKL-KWCYVHTRSA-N 1 0 231.339 2.029 10 0 BEAERO CCC[C@H](C(=O)N1Cc2ccccc2C1)[NH+](C)C ZINC000153093364 397740061 /nfs/dbraw/zinc/74/00/61/397740061.db2.gz NKUQTRPOJMDUNC-CQSZACIVSA-N 1 0 246.354 2.259 10 0 BEAERO C[C@@]1(C(=O)OCc2ccccc2)CCC[NH2+]C1 ZINC000062870990 397873954 /nfs/dbraw/zinc/87/39/54/397873954.db2.gz LCSOMAFPOXSTPG-CQSZACIVSA-N 1 0 233.311 2.120 10 0 BEAERO C[C@H](CC[NH2+]CCC(C)(C)C)[S@](C)=O ZINC000119209504 397882828 /nfs/dbraw/zinc/88/28/28/397882828.db2.gz WZJWNBDWIMBOPE-QMTHXVAHSA-N 1 0 219.394 2.169 10 0 BEAERO C[C@@H]1CSC(N[C@@H]2CC23CCCC3)=[NH+]1 ZINC000306884132 397935687 /nfs/dbraw/zinc/93/56/87/397935687.db2.gz PZDUGKCBZDHOMZ-RKDXNWHRSA-N 1 0 210.346 2.400 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H](N=c2[nH]c3ccccc3s2)C1 ZINC000382415272 397948200 /nfs/dbraw/zinc/94/82/00/397948200.db2.gz HCDINXZPOQWKOL-NXEZZACHSA-N 1 0 247.367 2.400 10 0 BEAERO CC1(C)C[C@]1([NH3+])c1ccc(Br)cn1 ZINC000575592500 397991975 /nfs/dbraw/zinc/99/19/75/397991975.db2.gz VIDLPJNULYYWDN-JTQLQIEISA-N 1 0 241.132 2.428 10 0 BEAERO [NH3+][C@H](C[C@@H]1CCCCO1)c1ccsn1 ZINC000307160601 397993039 /nfs/dbraw/zinc/99/30/39/397993039.db2.gz DUCSAEFQTNZGOI-DTWKUNHWSA-N 1 0 212.318 2.102 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])Cc1cncc(Br)c1 ZINC000575467481 397993317 /nfs/dbraw/zinc/99/33/17/397993317.db2.gz VJWJXTCTLNWBLC-XCBNKYQSSA-N 1 0 241.132 2.124 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000372502411 398004666 /nfs/dbraw/zinc/00/46/66/398004666.db2.gz GHIIPXRIYFNDAK-JQWIXIFHSA-N 1 0 240.372 2.441 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000383266769 398013509 /nfs/dbraw/zinc/01/35/09/398013509.db2.gz ITWAJVFJHXSFKS-STQMWFEESA-N 1 0 240.391 2.256 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccccc1F ZINC000054929289 398017992 /nfs/dbraw/zinc/01/79/92/398017992.db2.gz KHBQVDWFUZSSNJ-RYUDHWBXSA-N 1 0 211.280 2.233 10 0 BEAERO CCOC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)C(C)C ZINC000383619067 398031028 /nfs/dbraw/zinc/03/10/28/398031028.db2.gz UVSOXMXGGKNUOQ-IHRRRGAJSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)[N@@H+]1CCc2c(CO)csc2C1 ZINC000156710351 398040293 /nfs/dbraw/zinc/04/02/93/398040293.db2.gz RXRLXUSJGZENRV-UHFFFAOYSA-N 1 0 211.330 2.007 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2ccsc2Cl)C1 ZINC000575509608 397970166 /nfs/dbraw/zinc/97/01/66/397970166.db2.gz XYSLRRGRTDYKTK-VDTYLAMSSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccoc3)c2O1 ZINC000141169415 397983777 /nfs/dbraw/zinc/98/37/77/397983777.db2.gz VTICPXRZUGBMPZ-NSHDSACASA-N 1 0 233.242 2.348 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]CC1CC(O)C1 ZINC000394793038 398043593 /nfs/dbraw/zinc/04/35/93/398043593.db2.gz OCKUUXURIKRFPC-IGJPJIBNSA-N 1 0 211.349 2.173 10 0 BEAERO C[C@H]1CCCC[C@@H]1C[NH2+]CC1CC(O)C1 ZINC000394793037 398043722 /nfs/dbraw/zinc/04/37/22/398043722.db2.gz OCKUUXURIKRFPC-GMKTYKIGSA-N 1 0 211.349 2.173 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2ccc(Br)cc2)C1 ZINC000575466053 397987389 /nfs/dbraw/zinc/98/73/89/397987389.db2.gz YYIGKTXEHHLNOZ-ZJUUUORDSA-N 1 0 242.116 2.238 10 0 BEAERO CCCCCC[n+]1cc(CCC)n(C)n1 ZINC000584617185 398065812 /nfs/dbraw/zinc/06/58/12/398065812.db2.gz BBNZGVXXAOXMPJ-UHFFFAOYSA-N 1 0 210.345 2.240 10 0 BEAERO CC(C)OC1CC([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000186552773 398068490 /nfs/dbraw/zinc/06/84/90/398068490.db2.gz HWRYFCFZGAUASQ-YWPUVAFDSA-N 1 0 227.348 2.100 10 0 BEAERO COc1cccc([C@@H](CC[NH+](C)C)C(C)=O)c1 ZINC000584627371 398080139 /nfs/dbraw/zinc/08/01/39/398080139.db2.gz VMNDUSNVXOKPII-AWEZNQCLSA-N 1 0 235.327 2.320 10 0 BEAERO OC1(C[NH+]2CCC3(CC3(F)F)CC2)CCC1 ZINC000649772925 398095201 /nfs/dbraw/zinc/09/52/01/398095201.db2.gz CQLYMFSOIXHNJW-UHFFFAOYSA-N 1 0 231.286 2.023 10 0 BEAERO CC(C)CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116323062 398090296 /nfs/dbraw/zinc/09/02/96/398090296.db2.gz KDQHGZUSOBZRPA-LBPRGKRZSA-N 1 0 221.348 2.256 10 0 BEAERO CC(C)(C)NC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459757989 398057815 /nfs/dbraw/zinc/05/78/15/398057815.db2.gz HQRDBAHDFSDANU-UHFFFAOYSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H](Cn1cc(C(C)(C)[NH3+])nn1)c1ccccc1 ZINC000384705101 398102755 /nfs/dbraw/zinc/10/27/55/398102755.db2.gz FLKZSFTVMBMPQZ-LLVKDONJSA-N 1 0 244.342 2.276 10 0 BEAERO Nc1cc(Oc2ccc(N)c(F)c2)cc[nH+]1 ZINC000023587095 398116849 /nfs/dbraw/zinc/11/68/49/398116849.db2.gz HMADOSJIROHTPS-UHFFFAOYSA-N 1 0 219.219 2.177 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389712726 398127453 /nfs/dbraw/zinc/12/74/53/398127453.db2.gz XOJPGCWEIOOOKL-GWCFXTLKSA-N 1 0 248.374 2.318 10 0 BEAERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCCO1 ZINC000188781086 398130335 /nfs/dbraw/zinc/13/03/35/398130335.db2.gz CKQZXRSNMMWANF-MELADBBJSA-N 1 0 239.359 2.199 10 0 BEAERO CC(C)C[NH2+]C[C@@H](O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000037852089 167006196 /nfs/dbraw/zinc/00/61/96/167006196.db2.gz YALLUAIJXIJKPE-MGPQQGTHSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)C[NH2+][C@@H]1C[C@H](CO)c2ccccc21 ZINC000364444704 167011235 /nfs/dbraw/zinc/01/12/35/167011235.db2.gz VZGFZRYJJDRGBW-BXUZGUMPSA-N 1 0 219.328 2.453 10 0 BEAERO CC(C)COC(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653690 167021646 /nfs/dbraw/zinc/02/16/46/167021646.db2.gz XVWPYYAEIKCNTB-UHFFFAOYSA-N 1 0 236.315 2.374 10 0 BEAERO CC(C)[NH2+]Cc1nc2cc(F)ccc2[nH]1 ZINC000037474935 167122139 /nfs/dbraw/zinc/12/21/39/167122139.db2.gz FWUCTIDEVNSFCX-UHFFFAOYSA-N 1 0 207.252 2.200 10 0 BEAERO CC(C)[NH2+][C@@]1(C(N)=O)C[C@@H](C)CC(C)(C)C1 ZINC000037869255 167136352 /nfs/dbraw/zinc/13/63/52/167136352.db2.gz WESWTAKMNHLWGA-GWCFXTLKSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000019880893 167138133 /nfs/dbraw/zinc/13/81/33/167138133.db2.gz OHVKDXQOKQGTPI-SNVBAGLBSA-N 1 0 241.356 2.149 10 0 BEAERO CC(C)[NH2+][C@H]1COc2c1cc(F)cc2F ZINC000035653399 167141965 /nfs/dbraw/zinc/14/19/65/167141965.db2.gz FRTSJZPKPHRVFL-JTQLQIEISA-N 1 0 213.227 2.396 10 0 BEAERO CC(C)[NH2+][C@H]1CCc2cccc(O)c2C1 ZINC000027557195 167142592 /nfs/dbraw/zinc/14/25/92/167142592.db2.gz ASCCERNDBPJOHA-NSHDSACASA-N 1 0 205.301 2.248 10 0 BEAERO CC(C)CC1(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000659383388 487557433 /nfs/dbraw/zinc/55/74/33/487557433.db2.gz PZXDMIMBTUFBTE-VXGBXAGGSA-N 1 0 238.375 2.069 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000227891545 487562678 /nfs/dbraw/zinc/56/26/78/487562678.db2.gz WEXVMMWWWJKOII-KGLIPLIRSA-N 1 0 241.375 2.110 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cccs1 ZINC000052762150 487567516 /nfs/dbraw/zinc/56/75/16/487567516.db2.gz YNNVYVLUVHEGSM-NSHDSACASA-N 1 0 225.357 2.485 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000086907911 487583420 /nfs/dbraw/zinc/58/34/20/487583420.db2.gz ZHFPQDWWGWJGEF-FRRDWIJNSA-N 1 0 238.375 2.214 10 0 BEAERO CC(C)OCCO[C@H](C[NH3+])c1ccccc1F ZINC000043047625 167249031 /nfs/dbraw/zinc/24/90/31/167249031.db2.gz JQCZWFIWFAHKGL-CYBMUJFWSA-N 1 0 241.306 2.267 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)CC1([NH3+])CCC1 ZINC000135283214 487585902 /nfs/dbraw/zinc/58/59/02/487585902.db2.gz GNUSMBVUCMTMTM-GFCCVEGCSA-N 1 0 238.375 2.439 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC2CC(O)C2)o1 ZINC000084446621 322913440 /nfs/dbraw/zinc/91/34/40/322913440.db2.gz KJMSDMYTECVXKW-WHXUTIOJSA-N 1 0 209.289 2.010 10 0 BEAERO C[NH2+][C@H](C)CNCc1ccsc1Cl ZINC000312751278 322920589 /nfs/dbraw/zinc/92/05/89/322920589.db2.gz WXSZHDQYLKAREQ-SSDOTTSWSA-N 1 0 218.753 2.099 10 0 BEAERO C[C@@H]1CC[C@@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000536955713 487604064 /nfs/dbraw/zinc/60/40/64/487604064.db2.gz RZCAQRCNUUELKD-OCCSQVGLSA-N 1 0 219.328 2.327 10 0 BEAERO CC(C)SCC[N@@H+]1CCC[C@@H]1CCCO ZINC000336682154 167323538 /nfs/dbraw/zinc/32/35/38/167323538.db2.gz JFOFVBJXTGKMCF-GFCCVEGCSA-N 1 0 231.405 2.365 10 0 BEAERO CC[C@H]([NH2+]Cc1cncs1)[C@@H]1CCCO1 ZINC000119665015 487610166 /nfs/dbraw/zinc/61/01/66/487610166.db2.gz REQYKAASJGJMEG-QWRGUYRKSA-N 1 0 226.345 2.190 10 0 BEAERO CCOc1c(C[NH3+])cccc1OC(C)C ZINC000521400364 487611184 /nfs/dbraw/zinc/61/11/84/487611184.db2.gz IHZWMUQLDWQSRM-UHFFFAOYSA-N 1 0 209.289 2.331 10 0 BEAERO C[C@@]1(CO)CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000558118149 409994705 /nfs/dbraw/zinc/99/47/05/409994705.db2.gz BHVRMZVHMVNMAT-HIFRSBDPSA-N 1 0 231.339 2.173 10 0 BEAERO C1CC1[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CO1 ZINC000668277379 487613333 /nfs/dbraw/zinc/61/33/33/487613333.db2.gz GEDIJFFXCLITPT-RGDJUOJXSA-N 1 0 221.344 2.332 10 0 BEAERO C[NH2+]C[C@H](C)Nc1ncnc2c(C)csc21 ZINC000663278826 410094804 /nfs/dbraw/zinc/09/48/04/410094804.db2.gz MKXXORVXMXPACU-QMMMGPOBSA-N 1 0 236.344 2.020 10 0 BEAERO Brc1cccc(C[NH2+]C2CC2)n1 ZINC000083355114 166101681 /nfs/dbraw/zinc/10/16/81/166101681.db2.gz MIQPBBQUMLUUGN-UHFFFAOYSA-N 1 0 227.105 2.096 10 0 BEAERO Brc1cccnc1[C@H]1CCC[NH2+]1 ZINC000083323800 166103473 /nfs/dbraw/zinc/10/34/73/166103473.db2.gz QDKPSJFPVOQGKZ-MRVPVSSYSA-N 1 0 227.105 2.269 10 0 BEAERO Brc1csc([C@@H]2C[NH2+]CCO2)c1 ZINC000071562664 166105511 /nfs/dbraw/zinc/10/55/11/166105511.db2.gz SHDVYRHLIPBJQY-ZETCQYMHSA-N 1 0 248.145 2.172 10 0 BEAERO Brc1csc(CC2C[NH2+]C2)c1 ZINC000020475003 166106832 /nfs/dbraw/zinc/10/68/32/166106832.db2.gz YKKMUBBRQGSVIC-UHFFFAOYSA-N 1 0 232.146 2.273 10 0 BEAERO C[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)[C@H](C)C1 ZINC000133407949 410327000 /nfs/dbraw/zinc/32/70/00/410327000.db2.gz ZRSMLCFJMWCNJG-BZPMIXESSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)n1ncnc1C[NH2+]CCC(C)(C)C ZINC000130003929 410390989 /nfs/dbraw/zinc/39/09/89/410390989.db2.gz QLDABIULLAWXAG-UHFFFAOYSA-N 1 0 224.352 2.385 10 0 BEAERO CCC([NH3+])(CC)CNc1ncnc2c1CCCC2 ZINC000130071683 410392026 /nfs/dbraw/zinc/39/20/26/410392026.db2.gz URVRBMXOTNKSKF-UHFFFAOYSA-N 1 0 248.374 2.285 10 0 BEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])c1ccccc1C ZINC000057537263 169750704 /nfs/dbraw/zinc/75/07/04/169750704.db2.gz NDUGENYAXSQCFY-ZDUSSCGKSA-N 1 0 248.370 2.296 10 0 BEAERO C[NH2+][C@H](C)CNC(=O)c1cccc(C(C)(C)C)c1 ZINC000655460444 410573326 /nfs/dbraw/zinc/57/33/26/410573326.db2.gz OFXZDCAKDATWFR-LLVKDONJSA-N 1 0 248.370 2.322 10 0 BEAERO CC(=O)c1ccc(NCC[C@@H](C)C[NH3+])cc1 ZINC000049817948 166465454 /nfs/dbraw/zinc/46/54/54/166465454.db2.gz SKLTTYJCODZGDR-SNVBAGLBSA-N 1 0 220.316 2.286 10 0 BEAERO CC(C)(C)C(=O)c1ccc(CC[NH3+])s1 ZINC000090397691 166536778 /nfs/dbraw/zinc/53/67/78/166536778.db2.gz QZORUSBYBOVUPC-UHFFFAOYSA-N 1 0 211.330 2.478 10 0 BEAERO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000052044031 166610657 /nfs/dbraw/zinc/61/06/57/166610657.db2.gz LIADIOCANWDKCV-NEPJUHHUSA-N 1 0 231.343 2.455 10 0 BEAERO CC(C)(C)[NH2+]CCC(=O)NCCC1CCCC1 ZINC000037740156 166630341 /nfs/dbraw/zinc/63/03/41/166630341.db2.gz AGZLBPPOGUJAKL-UHFFFAOYSA-N 1 0 240.391 2.461 10 0 BEAERO CC(C)(C)[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000037882943 166634074 /nfs/dbraw/zinc/63/40/74/166634074.db2.gz BPGSDLMHDDSDSJ-SNVBAGLBSA-N 1 0 229.270 2.386 10 0 BEAERO CC(C)(C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000032012854 166635165 /nfs/dbraw/zinc/63/51/65/166635165.db2.gz PSUYBXNJLVILDT-NSHDSACASA-N 1 0 213.346 2.344 10 0 BEAERO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]([NH3+])C1 ZINC000082048301 166659006 /nfs/dbraw/zinc/65/90/06/166659006.db2.gz UQVRIGBITJSZJX-LBPRGKRZSA-N 1 0 248.326 2.437 10 0 BEAERO CC(C)CCC[NH2+]C[C@H](O)COC1CCCC1 ZINC000037984804 166813089 /nfs/dbraw/zinc/81/30/89/166813089.db2.gz BWZUULNSAYZCIE-ZDUSSCGKSA-N 1 0 243.391 2.332 10 0 BEAERO CC(C)CCN(C)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000053445117 166832021 /nfs/dbraw/zinc/83/20/21/166832021.db2.gz CCJVZXHKHGPDND-KBPBESRZSA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN[C@H]1C ZINC000396590140 410887716 /nfs/dbraw/zinc/88/77/16/410887716.db2.gz JHBPOEZMYCVWSQ-RNJOBUHISA-N 1 0 210.365 2.295 10 0 BEAERO CC(C)C[NH2+]CCC(=O)c1ccc2c(c1)OCO2 ZINC000049836943 167002212 /nfs/dbraw/zinc/00/22/12/167002212.db2.gz KQMOMVIOAXUKRX-UHFFFAOYSA-N 1 0 249.310 2.234 10 0 BEAERO CC(C)C[NH2+]CCn1ccc(=O)c2ccccc21 ZINC000053542335 167004250 /nfs/dbraw/zinc/00/42/50/167004250.db2.gz VWPPEETXFLLKEY-UHFFFAOYSA-N 1 0 244.338 2.247 10 0 BEAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1C1CCOCC1 ZINC000054598361 167006583 /nfs/dbraw/zinc/00/65/83/167006583.db2.gz HUYPYXPHRISBNZ-QWHCGFSZSA-N 1 0 211.349 2.295 10 0 BEAERO CC(C)C[NH2+]C[C@@H]1CCN(Cc2cccnc2)C1 ZINC000053013043 167006923 /nfs/dbraw/zinc/00/69/23/167006923.db2.gz PDDGJLVCAPXPEA-HNNXBMFYSA-N 1 0 247.386 2.149 10 0 BEAERO CC(C)C[NH2+][C@H]1C[C@H](CO)c2ccccc21 ZINC000364444706 167014755 /nfs/dbraw/zinc/01/47/55/167014755.db2.gz VZGFZRYJJDRGBW-RISCZKNCSA-N 1 0 219.328 2.453 10 0 BEAERO CC(C)C[NH2+][C@H]1COc2cc(O)ccc21 ZINC000019883224 167015517 /nfs/dbraw/zinc/01/55/17/167015517.db2.gz GLVYAFJKPFJVSQ-NSHDSACASA-N 1 0 207.273 2.071 10 0 BEAERO CC(C)CNc1nc2c(s1)C[N@H+](C)CC2 ZINC000061714672 167019500 /nfs/dbraw/zinc/01/95/00/167019500.db2.gz HNRFBSJNLOSQIX-UHFFFAOYSA-N 1 0 225.361 2.199 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000336653182 167028285 /nfs/dbraw/zinc/02/82/85/167028285.db2.gz GAGYLENCSHCRIL-VJTDZRGJSA-N 1 0 224.392 2.349 10 0 BEAERO CC(C)NC(=[NH2+])N[C@H](C)Cc1ccc(F)cc1 ZINC000062034272 167035465 /nfs/dbraw/zinc/03/54/65/167035465.db2.gz KDIQQXDTNIZQQO-SNVBAGLBSA-N 1 0 237.322 2.279 10 0 BEAERO CC(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000037385976 167098220 /nfs/dbraw/zinc/09/82/20/167098220.db2.gz STKAWLHAFHILLA-UHFFFAOYSA-N 1 0 244.697 2.416 10 0 BEAERO CC(C)[NH2+]CCN1CCC2(CCC2)CC1 ZINC000309083811 167105689 /nfs/dbraw/zinc/10/56/89/167105689.db2.gz ULYUTVBGQNHAFT-UHFFFAOYSA-N 1 0 210.365 2.251 10 0 BEAERO CC(C)[NH2+]CCc1csc(N2CCCC2)n1 ZINC000125579286 167108390 /nfs/dbraw/zinc/10/83/90/167108390.db2.gz BWBYYRBEFJYECF-UHFFFAOYSA-N 1 0 239.388 2.284 10 0 BEAERO CC(C)[NH2+]C[C@@H](C)n1cc(Br)cn1 ZINC000052577606 167112057 /nfs/dbraw/zinc/11/20/57/167112057.db2.gz MOFJPSGVJYAANR-MRVPVSSYSA-N 1 0 246.152 2.205 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCN([C@@H](C)c2cccnc2)C1 ZINC000053031106 167113367 /nfs/dbraw/zinc/11/33/67/167113367.db2.gz BBFJKLDVRISLMU-KBPBESRZSA-N 1 0 247.386 2.463 10 0 BEAERO CC(C)[NH2+]C[C@@H]1C[C@]1(C)c1cccnc1 ZINC000054595260 167113480 /nfs/dbraw/zinc/11/34/80/167113480.db2.gz JCZMOHGKFBCMBY-QWHCGFSZSA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]C[C@H](O)CO[C@H](C)c1ccccc1 ZINC000003609050 167114744 /nfs/dbraw/zinc/11/47/44/167114744.db2.gz MBNNABIVZGFXAG-OCCSQVGLSA-N 1 0 237.343 2.123 10 0 BEAERO CC(C)[NH2+]C[C@H](O)Cc1ccc(Cl)cc1 ZINC000071533477 167115085 /nfs/dbraw/zinc/11/50/85/167115085.db2.gz YAXAXNIWGKNXSG-GFCCVEGCSA-N 1 0 227.735 2.241 10 0 BEAERO CC(C)[NH2+]C[C@H](O)Cc1ccc(F)c(Cl)c1 ZINC000071560285 167115123 /nfs/dbraw/zinc/11/51/23/167115123.db2.gz NYRBSQBPAVHEGD-SNVBAGLBSA-N 1 0 245.725 2.381 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCc2ccc(O)cc2O1 ZINC000013775949 167115486 /nfs/dbraw/zinc/11/54/86/167115486.db2.gz LYVQVYJGNYDXHG-GFCCVEGCSA-N 1 0 221.300 2.084 10 0 BEAERO CC(C)[NH2+]C[C@H]1C[C@@]1(C)c1ccncc1 ZINC000054595279 167116845 /nfs/dbraw/zinc/11/68/45/167116845.db2.gz SSZUEJSRUKBGMB-OLZOCXBDSA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]Cc1cc(N2CCCC2)ccn1 ZINC000051399128 167117527 /nfs/dbraw/zinc/11/75/27/167117527.db2.gz VMRRWQFCRUGAQQ-UHFFFAOYSA-N 1 0 219.332 2.180 10 0 BEAERO CC(C)[NH2+]Cc1c(Cl)ncnc1Cl ZINC000083350246 167117579 /nfs/dbraw/zinc/11/75/79/167117579.db2.gz PHHNLGCIDKQZGZ-UHFFFAOYSA-N 1 0 220.103 2.281 10 0 BEAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1cccnc1 ZINC000054595261 167117615 /nfs/dbraw/zinc/11/76/15/167117615.db2.gz JCZMOHGKFBCMBY-CHWSQXEVSA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]Cc1nc(-c2cnn(C)c2)cs1 ZINC000053295600 167121706 /nfs/dbraw/zinc/12/17/06/167121706.db2.gz QYUZCASARQEXFP-UHFFFAOYSA-N 1 0 236.344 2.042 10 0 BEAERO CC(C)[NH2+]Cc1csc([C@@H]2CCCO2)n1 ZINC000062214639 167122057 /nfs/dbraw/zinc/12/20/57/167122057.db2.gz JIDKTUWMGVLTIY-JTQLQIEISA-N 1 0 226.345 2.493 10 0 BEAERO CC(C)[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000125251031 167135423 /nfs/dbraw/zinc/13/54/23/167135423.db2.gz FXWUUSRUFHBYBN-AWEZNQCLSA-N 1 0 220.360 2.157 10 0 BEAERO CC(C)[NH2+][C@H]1CC[S@@](=O)c2ccccc21 ZINC000040973555 167142847 /nfs/dbraw/zinc/14/28/47/167142847.db2.gz NJXMGUSDMLLRST-NHYWBVRUSA-N 1 0 223.341 2.237 10 0 BEAERO CC(C)C[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000396981416 410908146 /nfs/dbraw/zinc/90/81/46/410908146.db2.gz UOXYWPJKRXJBLQ-OLZOCXBDSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)OCC[N@H+](C(C)C)C1CCOCC1 ZINC000119614495 167228572 /nfs/dbraw/zinc/22/85/72/167228572.db2.gz RAISMEWGZNDYOB-UHFFFAOYSA-N 1 0 229.364 2.301 10 0 BEAERO CC(C)OCCO[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000019282831 167248949 /nfs/dbraw/zinc/24/89/49/167248949.db2.gz NKHKRQIQNKMOLD-KGLIPLIRSA-N 1 0 235.327 2.053 10 0 BEAERO CC(C)OCCO[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000019282835 167249236 /nfs/dbraw/zinc/24/92/36/167249236.db2.gz NKHKRQIQNKMOLD-ZIAGYGMSSA-N 1 0 235.327 2.053 10 0 BEAERO CC(C)Oc1cc(C[NH3+])ccc1OC1CC1 ZINC000095738018 167286874 /nfs/dbraw/zinc/28/68/74/167286874.db2.gz ZQTNGTOBTBITKK-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)Oc1ccc(-c2c[nH]c(N)[nH+]2)cc1 ZINC000071520077 167287879 /nfs/dbraw/zinc/28/78/79/167287879.db2.gz JVPXRNVJYUITLE-UHFFFAOYSA-N 1 0 217.272 2.446 10 0 BEAERO CC(C)Oc1ccc(CC2C[NH2+]C2)cc1 ZINC000037742782 167292090 /nfs/dbraw/zinc/29/20/90/167292090.db2.gz KCEJLOBUTUKPKO-UHFFFAOYSA-N 1 0 205.301 2.236 10 0 BEAERO CC(C)Oc1ccc(OCCC[NH3+])cc1 ZINC000107284439 167296827 /nfs/dbraw/zinc/29/68/27/167296827.db2.gz YGZUEQOPPWAUFJ-UHFFFAOYSA-N 1 0 209.289 2.201 10 0 BEAERO CC(C)Oc1ccc([C@@H](C)N2CC[NH2+]CC2)cc1 ZINC000038086584 167299108 /nfs/dbraw/zinc/29/91/08/167299108.db2.gz PEKDVIXWXMQBRI-CYBMUJFWSA-N 1 0 248.370 2.440 10 0 BEAERO CC(C)Oc1ccc([C@](C)(O)CC[NH3+])cc1 ZINC000071531323 167302768 /nfs/dbraw/zinc/30/27/68/167302768.db2.gz QIFQHCBUXUMXOQ-CYBMUJFWSA-N 1 0 223.316 2.030 10 0 BEAERO CC(C)Oc1cccc(C[NH2+]C2(CO)CC2)c1 ZINC000120337686 167306208 /nfs/dbraw/zinc/30/62/08/167306208.db2.gz PVMVFIVNWWVSKF-UHFFFAOYSA-N 1 0 235.327 2.088 10 0 BEAERO CC(C)Sc1nc2sccn2c1C[NH3+] ZINC000031972553 167338917 /nfs/dbraw/zinc/33/89/17/167338917.db2.gz VJGLZNOHGVRGEZ-UHFFFAOYSA-N 1 0 227.358 2.355 10 0 BEAERO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(N)c1 ZINC000036786501 167368457 /nfs/dbraw/zinc/36/84/57/167368457.db2.gz YLAZZTINQZYCTQ-LLVKDONJSA-N 1 0 249.358 2.184 10 0 BEAERO CC(C)[C@@H](C)[NH2+]CCn1nnc2ccccc21 ZINC000053527059 167382193 /nfs/dbraw/zinc/38/21/93/167382193.db2.gz UBTXADORJOROOI-LLVKDONJSA-N 1 0 232.331 2.065 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000309325478 167384632 /nfs/dbraw/zinc/38/46/32/167384632.db2.gz GKFCWHAZKQYSQE-SNVBAGLBSA-N 1 0 241.404 2.339 10 0 BEAERO CC(C)[C@@H](CC[NH3+])C(=O)N[C@H](C)c1ccccc1 ZINC000076634157 167389491 /nfs/dbraw/zinc/38/94/91/167389491.db2.gz JNLPGLGAEOUZKN-TZMCWYRMSA-N 1 0 248.370 2.485 10 0 BEAERO CC(C)[C@@H](C[NH+](C)C)N1Cc2ccc(N)cc2C1 ZINC000049224243 167394852 /nfs/dbraw/zinc/39/48/52/167394852.db2.gz QQAMALKUJHSLHU-OAHLLOKOSA-N 1 0 247.386 2.171 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccncc1 ZINC000049195700 167395892 /nfs/dbraw/zinc/39/58/92/167395892.db2.gz OAFHOSXUSCGDDF-TZMCWYRMSA-N 1 0 235.375 2.318 10 0 BEAERO CC(C)[C@@H](C[NH2+]C1CC1)N(C)Cc1ccco1 ZINC000052456515 167399628 /nfs/dbraw/zinc/39/96/28/167399628.db2.gz NFFUXJPVNSQHSL-CQSZACIVSA-N 1 0 236.359 2.488 10 0 BEAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)OC[C@H]1CCOC1 ZINC000052703813 167399876 /nfs/dbraw/zinc/39/98/76/167399876.db2.gz IWHFZKLQHRWDJZ-QWHCGFSZSA-N 1 0 243.391 2.452 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=O)c1ccc(F)c(F)c1 ZINC000036158956 167419392 /nfs/dbraw/zinc/41/93/92/167419392.db2.gz MMBSNSISPQWFRD-SNVBAGLBSA-N 1 0 213.227 2.131 10 0 BEAERO CC[C@@H]1CCC[N@H+](CCC(=O)NC(C)C)C1 ZINC000042145755 410970452 /nfs/dbraw/zinc/97/04/52/410970452.db2.gz BVSRZHYLVTVSGI-GFCCVEGCSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000399518957 411046640 /nfs/dbraw/zinc/04/66/40/411046640.db2.gz NIJQAFUYVQUTOM-WUHRBBMRSA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@@H]1C[C@H](C)CN1C(=O)C[C@H]([NH3+])C(C)C ZINC000399496018 411046731 /nfs/dbraw/zinc/04/67/31/411046731.db2.gz AGFYXECOCXDGBT-TUAOUCFPSA-N 1 0 226.364 2.007 10 0 BEAERO CC[C@@H]1C[C@@H](C)CN1C(=O)C[C@H]([NH3+])C(C)C ZINC000399496020 411046835 /nfs/dbraw/zinc/04/68/35/411046835.db2.gz AGFYXECOCXDGBT-UTUOFQBUSA-N 1 0 226.364 2.007 10 0 BEAERO CN(CCC(C)(C)C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000399811278 411068400 /nfs/dbraw/zinc/06/84/00/411068400.db2.gz DMAUHMZTXJXTGU-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000399907933 411071412 /nfs/dbraw/zinc/07/14/12/411071412.db2.gz XHORTOBMLLTEAE-WDEREUQCSA-N 1 0 226.364 2.008 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000399907932 411071957 /nfs/dbraw/zinc/07/19/57/411071957.db2.gz XHORTOBMLLTEAE-QWRGUYRKSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)c1ccc(CCOCC[NH3+])cc1 ZINC000057938694 167594198 /nfs/dbraw/zinc/59/41/98/167594198.db2.gz VYPNDZIJWIQIKH-UHFFFAOYSA-N 1 0 207.317 2.328 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657891206 411156353 /nfs/dbraw/zinc/15/63/53/411156353.db2.gz HABSVCARSNQARJ-GRYCIOLGSA-N 1 0 229.389 2.023 10 0 BEAERO CCC(CC)(CC)C(=O)NCC[C@@H](C)[NH3+] ZINC000309376583 411113837 /nfs/dbraw/zinc/11/38/37/411113837.db2.gz CSMCECZZMVQCEU-SNVBAGLBSA-N 1 0 214.353 2.056 10 0 BEAERO COc1ccc(CC[NH2+]Cc2cc(C)no2)cc1 ZINC000106078574 411116944 /nfs/dbraw/zinc/11/69/44/411116944.db2.gz NKHKVELEVCCMGF-UHFFFAOYSA-N 1 0 246.310 2.324 10 0 BEAERO c1ccc2c(c1)ncnc2NCC[C@@H]1CC[NH2+]C1 ZINC000110798734 411119590 /nfs/dbraw/zinc/11/95/90/411119590.db2.gz BQQLWJBQVPFFMJ-NSHDSACASA-N 1 0 242.326 2.041 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1cccs1 ZINC000128917820 411189556 /nfs/dbraw/zinc/18/95/56/411189556.db2.gz LIVFURZIQVDFPC-VHSXEESVSA-N 1 0 240.372 2.299 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812873 411190606 /nfs/dbraw/zinc/19/06/06/411190606.db2.gz SAFNTOARYFPASM-UONOGXRCSA-N 1 0 241.375 2.181 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812872 411190830 /nfs/dbraw/zinc/19/08/30/411190830.db2.gz SAFNTOARYFPASM-KGLIPLIRSA-N 1 0 241.375 2.181 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCCC1CCCC1 ZINC000128950396 411194476 /nfs/dbraw/zinc/19/44/76/411194476.db2.gz XNBKGBDWPBDJSH-GFCCVEGCSA-N 1 0 226.364 2.056 10 0 BEAERO CCC[C@H](CC)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129028958 411209264 /nfs/dbraw/zinc/20/92/64/411209264.db2.gz WQONOECTYVLWIF-QWRGUYRKSA-N 1 0 214.353 2.055 10 0 BEAERO C1[C@H]2CCC[C@H]([NH2+][C@@H]3COC4(CCC4)C3)[C@@H]12 ZINC000658042006 411215438 /nfs/dbraw/zinc/21/54/38/411215438.db2.gz NVGPXXAPFIYWJH-VOAKCMCISA-N 1 0 221.344 2.476 10 0 BEAERO C1[C@H]2CCC[C@@H]([NH2+][C@@H]3COC4(CCC4)C3)[C@@H]12 ZINC000658042004 411215492 /nfs/dbraw/zinc/21/54/92/411215492.db2.gz NVGPXXAPFIYWJH-MROQNXINSA-N 1 0 221.344 2.476 10 0 BEAERO C[C@H](O)C[N@H+](C[C@H]1Cc2ccccc21)C1CC1 ZINC000653901831 411216302 /nfs/dbraw/zinc/21/63/02/411216302.db2.gz FEAVCGMZLLVXRD-WCQYABFASA-N 1 0 231.339 2.172 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCCC[C@H]1C ZINC000129082442 411218542 /nfs/dbraw/zinc/21/85/42/411218542.db2.gz UBDUPXUDLQCEBK-VXGBXAGGSA-N 1 0 226.364 2.151 10 0 BEAERO CCC[C@H]([NH2+][C@@H]1CCNC1=O)c1ccccc1 ZINC000658053034 411220137 /nfs/dbraw/zinc/22/01/37/411220137.db2.gz JMXKOZIQAKWRHZ-QWHCGFSZSA-N 1 0 232.327 2.006 10 0 BEAERO C[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000113262368 411231244 /nfs/dbraw/zinc/23/12/44/411231244.db2.gz TVBBXESXODRMGU-PNESKVBLSA-N 1 0 238.375 2.153 10 0 BEAERO COCC1(C[N@@H+]2CCC[C@@H]2CCCO)CCC1 ZINC000310465807 411237986 /nfs/dbraw/zinc/23/79/86/411237986.db2.gz ZKFNZSBXTDPSTI-CYBMUJFWSA-N 1 0 241.375 2.040 10 0 BEAERO Cn1cncc1CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000653776681 411165735 /nfs/dbraw/zinc/16/57/35/411165735.db2.gz BFPOTFNFIRNMJE-IACUBPJLSA-N 1 0 233.359 2.131 10 0 BEAERO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1cn[nH]c1 ZINC000111356906 411166648 /nfs/dbraw/zinc/16/66/48/411166648.db2.gz OBSSYJGLVAGZBM-NSHDSACASA-N 1 0 217.272 2.170 10 0 BEAERO [NH3+]CC1(NC(=O)CC2CCCC2)CCCCC1 ZINC000111369158 411167230 /nfs/dbraw/zinc/16/72/30/411167230.db2.gz CHHUBPVQLVWKRX-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CS1 ZINC000655710556 411263030 /nfs/dbraw/zinc/26/30/30/411263030.db2.gz AAAYVUQNIXNTSC-OUAUKWLOSA-N 1 0 231.405 2.267 10 0 BEAERO Cc1nc2ccccc2nc1NCC[NH2+]C1CC1 ZINC000054267940 411264417 /nfs/dbraw/zinc/26/44/17/411264417.db2.gz GSYSIEQAJFZWJG-UHFFFAOYSA-N 1 0 242.326 2.102 10 0 BEAERO Cc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000128876559 411269352 /nfs/dbraw/zinc/26/93/52/411269352.db2.gz FEMQPPMNVKITSS-LBPRGKRZSA-N 1 0 220.316 2.307 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CS1 ZINC000655715869 411269587 /nfs/dbraw/zinc/26/95/87/411269587.db2.gz PIMWRXCQBLYRMJ-VOAKCMCISA-N 1 0 243.416 2.411 10 0 BEAERO CC[C@H](NC(=O)C[NH2+]C1CC1)c1ccccc1 ZINC000051628616 411280266 /nfs/dbraw/zinc/28/02/66/411280266.db2.gz INRVABJKJMKKMP-ZDUSSCGKSA-N 1 0 232.327 2.006 10 0 BEAERO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCOC1 ZINC000129427933 411286990 /nfs/dbraw/zinc/28/69/90/411286990.db2.gz FVIUIDZKIGDCOD-RISCZKNCSA-N 1 0 217.312 2.361 10 0 BEAERO C[N@H+](CCc1ccccn1)C[C@H]1CCC[C@H](O)C1 ZINC000310866753 411287367 /nfs/dbraw/zinc/28/73/67/411287367.db2.gz PAGUEBAZCCVSGL-ZFWWWQNUSA-N 1 0 248.370 2.107 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000655723122 411296322 /nfs/dbraw/zinc/29/63/22/411296322.db2.gz HXYXZPJQVQDBDJ-VXGBXAGGSA-N 1 0 239.388 2.065 10 0 BEAERO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC000006780144 411299920 /nfs/dbraw/zinc/29/99/20/411299920.db2.gz QICPYJBGEOHULG-WDEREUQCSA-N 1 0 242.363 2.371 10 0 BEAERO CC(C)c1nsc(N[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000129530588 411304563 /nfs/dbraw/zinc/30/45/63/411304563.db2.gz LENQCTIFGMGFOW-BDAKNGLRSA-N 1 0 240.376 2.214 10 0 BEAERO CCN(CC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000052181092 169808396 /nfs/dbraw/zinc/80/83/96/169808396.db2.gz FBNOPIIIXJVNLY-UHFFFAOYSA-N 1 0 248.370 2.268 10 0 BEAERO [NH3+]C1(CNc2ncnc3ccccc32)CCCC1 ZINC000656610882 411308906 /nfs/dbraw/zinc/30/89/06/411308906.db2.gz TZNXUXYOMNGWST-UHFFFAOYSA-N 1 0 242.326 2.313 10 0 BEAERO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658242194 411308986 /nfs/dbraw/zinc/30/89/86/411308986.db2.gz PQYVKYDTCDYLQK-AAEUAGOBSA-N 1 0 238.375 2.023 10 0 BEAERO CC1(C)CCCN1c1ccc(F)cc1C(N)=[NH2+] ZINC000104232252 167903530 /nfs/dbraw/zinc/90/35/30/167903530.db2.gz SYDDCAVMTNYINP-UHFFFAOYSA-N 1 0 235.306 2.489 10 0 BEAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658239814 411309310 /nfs/dbraw/zinc/30/93/10/411309310.db2.gz FGZIDBMJOCMDEJ-AAEUAGOBSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658242853 411310245 /nfs/dbraw/zinc/31/02/45/411310245.db2.gz LTCAFGVZXZZIPQ-YPMHNXCESA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658243786 411310625 /nfs/dbraw/zinc/31/06/25/411310625.db2.gz GUPIWKPIMPBNEN-TZMCWYRMSA-N 1 0 246.354 2.206 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cc1 ZINC000128867991 411260398 /nfs/dbraw/zinc/26/03/98/411260398.db2.gz LQXFMZCKDPRGGX-NSHDSACASA-N 1 0 224.279 2.138 10 0 BEAERO CC1(C[NH2+][C@H]2CCC[C@H]2CCF)COC1 ZINC000336753823 168046726 /nfs/dbraw/zinc/04/67/26/168046726.db2.gz HUJHVGSEMOKDSO-QWRGUYRKSA-N 1 0 215.312 2.141 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C2CC(CO)C2)s1 ZINC000658350658 411352230 /nfs/dbraw/zinc/35/22/30/411352230.db2.gz GYGDBNQBHXVOHA-WHXUTIOJSA-N 1 0 225.357 2.478 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659871930 411356346 /nfs/dbraw/zinc/35/63/46/411356346.db2.gz XWBDWJRWIHESNK-XJFOESAGSA-N 1 0 223.360 2.269 10 0 BEAERO CC(C)CC1([NH2+]C[C@H](O)COC(C)(C)C)CC1 ZINC000662070493 411357017 /nfs/dbraw/zinc/35/70/17/411357017.db2.gz QLSSEZVSLUGMIX-LBPRGKRZSA-N 1 0 243.391 2.331 10 0 BEAERO CC(C)[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000130855347 411366202 /nfs/dbraw/zinc/36/62/02/411366202.db2.gz HFYCWXPCLCNSTA-VXGBXAGGSA-N 1 0 240.391 2.445 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659339619 411366938 /nfs/dbraw/zinc/36/69/38/411366938.db2.gz JXEZANDUCJLABA-SRVKXCTJSA-N 1 0 240.391 2.302 10 0 BEAERO COCCCC[NH2+]C[C@@]1(C)CCCS1 ZINC000130873972 411368819 /nfs/dbraw/zinc/36/88/19/411368819.db2.gz OVQFDAGWFOJRKO-LLVKDONJSA-N 1 0 217.378 2.288 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCC1CCC1 ZINC000659360949 411376882 /nfs/dbraw/zinc/37/68/82/411376882.db2.gz HDLZOIHNSRHWBO-QWHCGFSZSA-N 1 0 238.375 2.058 10 0 BEAERO CC1CC(C[NH3+])(c2ccc3c(c2)OCO3)C1 ZINC000070068635 168138798 /nfs/dbraw/zinc/13/87/98/168138798.db2.gz FUPXKCGFHRFJSD-UHFFFAOYSA-N 1 0 219.284 2.042 10 0 BEAERO CC1CC([NH2+]C[C@H]2CC23CCOCC3)C1 ZINC000309090542 168145747 /nfs/dbraw/zinc/14/57/47/168145747.db2.gz BASDCZPRUUXTHJ-MOENNCHZSA-N 1 0 209.333 2.191 10 0 BEAERO CC1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000123345922 168147211 /nfs/dbraw/zinc/14/72/11/168147211.db2.gz AFBDGDOCMSEXJD-DMTXQYTPSA-N 1 0 222.376 2.295 10 0 BEAERO CC1CCC(C[NH3+])(OC[C@@H]2CCCO2)CC1 ZINC000050493861 168153267 /nfs/dbraw/zinc/15/32/67/168153267.db2.gz LRFCXHPXIWOGAB-CPCZMJQVSA-N 1 0 227.348 2.090 10 0 BEAERO CC(C)[C@@H](CN)[N@H+](C)C1CCC(C)CC1 ZINC000042472875 168160643 /nfs/dbraw/zinc/16/06/43/168160643.db2.gz DZFGCBITIJPINC-WXRRBKDZSA-N 1 0 212.381 2.480 10 0 BEAERO CC(C)OCCC[NH2+]CCN1CCC(C)CC1 ZINC000041626602 168181229 /nfs/dbraw/zinc/18/12/29/168181229.db2.gz DQHWLVQVTCPUID-UHFFFAOYSA-N 1 0 242.407 2.123 10 0 BEAERO CC1CC[NH+](C[C@H](O)c2ccco2)CC1 ZINC000032012293 168182431 /nfs/dbraw/zinc/18/24/31/168182431.db2.gz ZPWGMLQYKKWHKY-NSHDSACASA-N 1 0 209.289 2.045 10 0 BEAERO CC1CC[NH+](C[C@H](N)c2cccs2)CC1 ZINC000019821523 168183169 /nfs/dbraw/zinc/18/31/69/168183169.db2.gz OEQAKERCIGXHON-NSHDSACASA-N 1 0 224.373 2.480 10 0 BEAERO CC1CC[NH+]([C@H]2CCCCC[C@@H]2N)CC1 ZINC000023071619 168187582 /nfs/dbraw/zinc/18/75/82/168187582.db2.gz XELKFMCLAAPBCM-STQMWFEESA-N 1 0 210.365 2.378 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000310793384 168198946 /nfs/dbraw/zinc/19/89/46/168198946.db2.gz FACZJHXJFARHKW-AWEZNQCLSA-N 1 0 249.358 2.316 10 0 BEAERO CCC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000082368902 168252547 /nfs/dbraw/zinc/25/25/47/168252547.db2.gz YWWQSQGMLOADOH-CYBMUJFWSA-N 1 0 217.312 2.488 10 0 BEAERO CCC(C)(C)C1CCC([NH2+]C)(C(N)=O)CC1 ZINC000037869795 168270427 /nfs/dbraw/zinc/27/04/27/168270427.db2.gz IVJWRYGUSDPHIE-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000122859511 168289620 /nfs/dbraw/zinc/28/96/20/168289620.db2.gz ZSWIVCHOMKNQKM-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO CCC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019487987 168296366 /nfs/dbraw/zinc/29/63/66/168296366.db2.gz CEZCOBFOVZOIIZ-GRYCIOLGSA-N 1 0 238.375 2.212 10 0 BEAERO CCC(C)(C)[NH2+]CCN(C)CCc1ccccn1 ZINC000053345624 168297981 /nfs/dbraw/zinc/29/79/81/168297981.db2.gz ZUPHKFBEUPCJTF-UHFFFAOYSA-N 1 0 249.402 2.334 10 0 BEAERO CCC(C)(C)[NH2+]C[C@@H](C)N1CCCO[C@H](C)C1 ZINC000061936414 168298949 /nfs/dbraw/zinc/29/89/49/168298949.db2.gz GHQWSXWUQBGFHB-CHWSQXEVSA-N 1 0 242.407 2.264 10 0 BEAERO Cc1cc(N[C@@H]2CNc3ccccc3C2)cc[nH+]1 ZINC000404457881 411397081 /nfs/dbraw/zinc/39/70/81/411397081.db2.gz XQVRECBCWZEWRN-AWEZNQCLSA-N 1 0 239.322 2.261 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659341020 411399494 /nfs/dbraw/zinc/39/94/94/411399494.db2.gz YGMYGHIRGSLLEP-VXGBXAGGSA-N 1 0 240.391 2.317 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000659340757 411399873 /nfs/dbraw/zinc/39/98/73/411399873.db2.gz XGXMIIBWDRFWGE-IJLUTSLNSA-N 1 0 240.391 2.315 10 0 BEAERO C[N@@H+]1CCCOC[C@H]1c1cc2ccccc2nn1 ZINC000616648284 411410863 /nfs/dbraw/zinc/41/08/63/411410863.db2.gz DJYRAVILJHCROE-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1N(C)C ZINC000126139125 411418486 /nfs/dbraw/zinc/41/84/86/411418486.db2.gz DAHKHKHYDBYTLS-NSHDSACASA-N 1 0 249.358 2.065 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1N(C)C ZINC000126138927 411418763 /nfs/dbraw/zinc/41/87/63/411418763.db2.gz DAHKHKHYDBYTLS-LLVKDONJSA-N 1 0 249.358 2.065 10 0 BEAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000216437278 411425674 /nfs/dbraw/zinc/42/56/74/411425674.db2.gz QUAOPGYEHDNLHT-MGPQQGTHSA-N 1 0 249.354 2.041 10 0 BEAERO CCN(C[C@@]1(C[NH3+])CCOC1)c1ccccc1C ZINC000051212802 169888112 /nfs/dbraw/zinc/88/81/12/169888112.db2.gz FEKSWAYBHAJJIR-HNNXBMFYSA-N 1 0 248.370 2.187 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@@H](C)[NH+](C)C)n1 ZINC000122386479 411431453 /nfs/dbraw/zinc/43/14/53/411431453.db2.gz ZKULWVRPJGYSSB-LLVKDONJSA-N 1 0 236.363 2.270 10 0 BEAERO CCC[NH2+]CCNc1nc(C)cc(C(C)C)n1 ZINC000122557009 411432522 /nfs/dbraw/zinc/43/25/22/411432522.db2.gz GMWCDZURVOPRDH-UHFFFAOYSA-N 1 0 236.363 2.320 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CCC[NH2+]C2)n1 ZINC000122565995 411432590 /nfs/dbraw/zinc/43/25/90/411432590.db2.gz LMMPEFMRTWPSHX-NSHDSACASA-N 1 0 234.347 2.072 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000122582545 411432639 /nfs/dbraw/zinc/43/26/39/411432639.db2.gz DDHKIAONWRMOGX-RYUDHWBXSA-N 1 0 248.374 2.448 10 0 BEAERO c1ccc2c(c1)ccnc2N[C@H]1CC[NH2+]C1 ZINC000122464123 411433432 /nfs/dbraw/zinc/43/34/32/411433432.db2.gz XVLKMZFHAWICNT-NSHDSACASA-N 1 0 213.284 2.009 10 0 BEAERO CC[C@@H]1CN(c2nc3ccccc3[nH]2)CC[C@@H]1[NH3+] ZINC000122941419 411436331 /nfs/dbraw/zinc/43/63/31/411436331.db2.gz AFWNZTDBFYHYPX-MNOVXSKESA-N 1 0 244.342 2.127 10 0 BEAERO C[C@H]1CN(Cc2cscc2Cl)C[C@H]1[NH3+] ZINC000306177514 411437238 /nfs/dbraw/zinc/43/72/38/411437238.db2.gz OBMZYTONGSXOAW-OIBJUYFYSA-N 1 0 230.764 2.181 10 0 BEAERO CC[C@@H]1CN(c2nc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000122967342 411437993 /nfs/dbraw/zinc/43/79/93/411437993.db2.gz YOPVQPKSZDFJPS-MNOVXSKESA-N 1 0 245.326 2.391 10 0 BEAERO CCN(Cc1ccccc1)C(=O)C[C@H](C)[NH2+]C ZINC000077369592 169913249 /nfs/dbraw/zinc/91/32/49/169913249.db2.gz CSSSCKHOTMCLAW-LBPRGKRZSA-N 1 0 234.343 2.033 10 0 BEAERO CC[C@H]([NH2+]Cc1cnc(C)n1C)C(C)C ZINC000657330255 411467134 /nfs/dbraw/zinc/46/71/34/411467134.db2.gz SUPFELUHERPJCX-LBPRGKRZSA-N 1 0 209.337 2.253 10 0 BEAERO CCN(Cc1ccco1)c1cc[nH+]cc1N ZINC000042445596 169922322 /nfs/dbraw/zinc/92/23/22/169922322.db2.gz SQORJPICIXZDRL-UHFFFAOYSA-N 1 0 217.272 2.283 10 0 BEAERO CCN(c1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000044924378 169943050 /nfs/dbraw/zinc/94/30/50/169943050.db2.gz JCKHNFKMVYVNQU-CYBMUJFWSA-N 1 0 222.307 2.404 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1CC=CC1 ZINC000659929523 411501576 /nfs/dbraw/zinc/50/15/76/411501576.db2.gz SIFJRWAOQCATFV-JSGCOSHPSA-N 1 0 220.360 2.121 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CC=CC1 ZINC000659929522 411501688 /nfs/dbraw/zinc/50/16/88/411501688.db2.gz SIFJRWAOQCATFV-GXTWGEPZSA-N 1 0 220.360 2.121 10 0 BEAERO CC1(C)C[C@H]([NH2+]CC[C@@H]2CCCO2)CCO1 ZINC000069889594 411504641 /nfs/dbraw/zinc/50/46/41/411504641.db2.gz YFSDJZJHLGOHIS-NEPJUHHUSA-N 1 0 227.348 2.103 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CO1 ZINC000657455025 411515743 /nfs/dbraw/zinc/51/57/43/411515743.db2.gz FVBXITCJRQLVBK-AUZPSNTRSA-N 1 0 241.375 2.347 10 0 BEAERO [NH3+]C[C@@H]1CCCN1Cc1ccccc1C1CC1 ZINC000131417874 411527891 /nfs/dbraw/zinc/52/78/91/411527891.db2.gz RTKLFDDVHWPKPT-AWEZNQCLSA-N 1 0 230.355 2.487 10 0 BEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2cccnc2)[C@H](C)C1 ZINC000125745186 170010774 /nfs/dbraw/zinc/01/07/74/170010774.db2.gz AICNSSLIIGHRCQ-UKRRQHHQSA-N 1 0 247.386 2.244 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000328339209 170013710 /nfs/dbraw/zinc/01/37/10/170013710.db2.gz KIAZMQWXSLBHQD-CMPLNLGQSA-N 1 0 224.373 2.493 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328508649 170014769 /nfs/dbraw/zinc/01/47/69/170014769.db2.gz MNFAHWCGMQPNME-GXTWGEPZSA-N 1 0 218.344 2.431 10 0 BEAERO CCN1CC[C@H]([NH+]2CCCCC2)C[C@@H]1C ZINC000073655772 170019576 /nfs/dbraw/zinc/01/95/76/170019576.db2.gz HACCXFVGOBDVMD-STQMWFEESA-N 1 0 210.365 2.345 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000328380139 170022138 /nfs/dbraw/zinc/02/21/38/170022138.db2.gz VAZMPTJXRHWWDL-AAEUAGOBSA-N 1 0 234.343 2.341 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000328526655 170022335 /nfs/dbraw/zinc/02/23/35/170022335.db2.gz URFXFEJOHVXOQK-XDQVBPFNSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000328339212 170023057 /nfs/dbraw/zinc/02/30/57/170023057.db2.gz KIAZMQWXSLBHQD-PWSUYJOCSA-N 1 0 224.373 2.493 10 0 BEAERO CCN1C[C@@H](C)[N@@H+](C2CCCC2)C[C@@H]1C ZINC000336351900 170027999 /nfs/dbraw/zinc/02/79/99/170027999.db2.gz WMQHMSKQWGEALE-NWDGAFQWSA-N 1 0 210.365 2.344 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]C2CCCCC2)C1 ZINC000309055323 170030216 /nfs/dbraw/zinc/03/02/16/170030216.db2.gz UDIUNUBOGFKDCE-YPMHNXCESA-N 1 0 210.365 2.249 10 0 BEAERO CCN1C[C@H](C)[N@@H+](C2CCCC2)C[C@@H]1C ZINC000336351901 170034424 /nfs/dbraw/zinc/03/44/24/170034424.db2.gz WMQHMSKQWGEALE-RYUDHWBXSA-N 1 0 210.365 2.344 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H](C)CCC2CC2)[C@@H](C)C1 ZINC000309959772 170036589 /nfs/dbraw/zinc/03/65/89/170036589.db2.gz KKYDHBHGWKIHKH-OBJOEFQTSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC000309040222 170036982 /nfs/dbraw/zinc/03/69/82/170036982.db2.gz KRHCOTPRDBZNCR-QWHCGFSZSA-N 1 0 212.381 2.352 10 0 BEAERO CCN1C[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H](C)C1 ZINC000309955237 170037064 /nfs/dbraw/zinc/03/70/64/170037064.db2.gz IANZHFOYQPBCCB-AVGNSLFASA-N 1 0 242.432 2.202 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]C2CCCCC2)C1 ZINC000309055322 170037101 /nfs/dbraw/zinc/03/71/01/170037101.db2.gz UDIUNUBOGFKDCE-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000336776758 170037652 /nfs/dbraw/zinc/03/76/52/170037652.db2.gz GOBZGWLUFJDPFT-QWHCGFSZSA-N 1 0 224.392 2.352 10 0 BEAERO CCN1Cc2c(cccc2Cl)[C@@H]1C[NH3+] ZINC000082701401 170041215 /nfs/dbraw/zinc/04/12/15/170041215.db2.gz URMCNEDDVHWQBP-NSHDSACASA-N 1 0 210.708 2.175 10 0 BEAERO CCNC(=[NH2+])N(C)Cc1cccc(Cl)c1 ZINC000052038638 170041998 /nfs/dbraw/zinc/04/19/98/170041998.db2.gz HHXCXMGQLRWNPW-UHFFFAOYSA-N 1 0 225.723 2.316 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccnc1Cl ZINC000061291290 170107876 /nfs/dbraw/zinc/10/78/76/170107876.db2.gz MEEGEMCKLVZQHL-UHFFFAOYSA-N 1 0 241.722 2.062 10 0 BEAERO CC[NH2+]CC(=O)c1cc(C)c(C)cc1C ZINC000071509771 170109193 /nfs/dbraw/zinc/10/91/93/170109193.db2.gz JBEQSSOWPVMGDE-UHFFFAOYSA-N 1 0 205.301 2.404 10 0 BEAERO CC[NH2+]CC(=O)c1cc(CC)ccc1OC ZINC000071523200 170110180 /nfs/dbraw/zinc/11/01/80/170110180.db2.gz OJXHIITUIVERGG-UHFFFAOYSA-N 1 0 221.300 2.050 10 0 BEAERO CC[NH2+]CCC(=O)N(CC)c1cccc(C)c1 ZINC000061297233 170111814 /nfs/dbraw/zinc/11/18/14/170111814.db2.gz GCCLJRGFPPAPSY-UHFFFAOYSA-N 1 0 234.343 2.348 10 0 BEAERO CC[NH2+]CCC[C@@H](C)n1nnc2ccccc21 ZINC000052576669 170112697 /nfs/dbraw/zinc/11/26/97/170112697.db2.gz ILJFJGOWHVPDFP-LLVKDONJSA-N 1 0 232.331 2.382 10 0 BEAERO CC[NH2+]CCC[C@@H](O)c1ccc(C)cc1 ZINC000076858517 170112713 /nfs/dbraw/zinc/11/27/13/170112713.db2.gz JZVFXVYFSDMBDN-CYBMUJFWSA-N 1 0 207.317 2.418 10 0 BEAERO CC[NH2+]CCCN(C)Cc1cccc(OC)c1 ZINC000042442198 170113064 /nfs/dbraw/zinc/11/30/64/170113064.db2.gz AJQMPRKVOXTTIJ-UHFFFAOYSA-N 1 0 236.359 2.127 10 0 BEAERO CC[NH2+]CCN1CCc2sccc2[C@H]1C ZINC000044415908 170113565 /nfs/dbraw/zinc/11/35/65/170113565.db2.gz DEJVCKOIGDHDSV-SNVBAGLBSA-N 1 0 224.373 2.277 10 0 BEAERO CC[NH2+]CCCc1cc(OC)ccc1OC ZINC000070639221 170113691 /nfs/dbraw/zinc/11/36/91/170113691.db2.gz PLXOCVOSARHOQK-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO CC[NH2+]CCCn1cnc2cc(F)c(F)cc21 ZINC000053531158 170113864 /nfs/dbraw/zinc/11/38/64/170113864.db2.gz NGBRFCZGCYBJIJ-UHFFFAOYSA-N 1 0 239.269 2.314 10 0 BEAERO CC[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000044380472 170113928 /nfs/dbraw/zinc/11/39/28/170113928.db2.gz VFDVXIHBXUPEOI-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO CC[NH2+]CC[C@H](O)c1ccc(OC)c(Cl)c1 ZINC000049831578 170117378 /nfs/dbraw/zinc/11/73/78/170117378.db2.gz NRTHZIDXVRNTOE-NSHDSACASA-N 1 0 243.734 2.382 10 0 BEAERO CC[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000066252102 170117436 /nfs/dbraw/zinc/11/74/36/170117436.db2.gz GKPVFLDXGOMXHI-UHFFFAOYSA-N 1 0 206.264 2.459 10 0 BEAERO CC[NH2+]C[C@@H](C(C)C)N1CCC(OCC)CC1 ZINC000052483914 170118050 /nfs/dbraw/zinc/11/80/50/170118050.db2.gz WCMZIKJYLLCFJM-AWEZNQCLSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+]CCc1nc2cc(Cl)ccc2n1C ZINC000051784308 170118105 /nfs/dbraw/zinc/11/81/05/170118105.db2.gz QWUXFQWTNRAWJZ-UHFFFAOYSA-N 1 0 237.734 2.379 10 0 BEAERO CC[NH2+]CCc1nc(Cc2cccc(C)c2)no1 ZINC000051784508 170118194 /nfs/dbraw/zinc/11/81/94/170118194.db2.gz WTMBELKEMBAIIP-UHFFFAOYSA-N 1 0 245.326 2.121 10 0 BEAERO CC[NH2+]CCc1nc(-c2ccccc2F)no1 ZINC000054444527 170118236 /nfs/dbraw/zinc/11/82/36/170118236.db2.gz MCLQLTQSJGESNB-UHFFFAOYSA-N 1 0 235.262 2.028 10 0 BEAERO CC[NH2+]CCc1nc2c(cccc2C)o1 ZINC000051784545 170118263 /nfs/dbraw/zinc/11/82/63/170118263.db2.gz DFBUYAOQXQNDPN-UHFFFAOYSA-N 1 0 204.273 2.288 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1cccc(C)c1 ZINC000061236160 170118537 /nfs/dbraw/zinc/11/85/37/170118537.db2.gz RNYRPABREZBWDV-CYBMUJFWSA-N 1 0 248.370 2.199 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000061228132 170118867 /nfs/dbraw/zinc/11/88/67/170118867.db2.gz AIPIJNYUHYRUDD-GFCCVEGCSA-N 1 0 234.343 2.488 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000061227814 170119246 /nfs/dbraw/zinc/11/92/46/170119246.db2.gz FSQHOZHCFRKFCB-GFCCVEGCSA-N 1 0 234.343 2.488 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1CC ZINC000061228060 170119281 /nfs/dbraw/zinc/11/92/81/170119281.db2.gz AFFIZPUFRZDNLA-LLVKDONJSA-N 1 0 234.343 2.433 10 0 BEAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCO[C@H](C)C1 ZINC000052382755 170119799 /nfs/dbraw/zinc/11/97/99/170119799.db2.gz IUINVTVMVOZJKE-HIFRSBDPSA-N 1 0 248.370 2.058 10 0 BEAERO CC[NH2+]C[C@@H](OC[C@H]1CCOC1)c1ccccc1 ZINC000050501374 170119965 /nfs/dbraw/zinc/11/99/65/170119965.db2.gz HDUFGLHKIGYNEH-DZGCQCFKSA-N 1 0 249.354 2.390 10 0 BEAERO CC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000032101476 170119968 /nfs/dbraw/zinc/11/99/68/170119968.db2.gz POAFCYBJTWHYRP-SNVBAGLBSA-N 1 0 244.132 2.092 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(OC(C)C)c(F)c1 ZINC000071550644 170120131 /nfs/dbraw/zinc/12/01/31/170120131.db2.gz QZRSWZTVGFRDCB-GFCCVEGCSA-N 1 0 241.306 2.256 10 0 BEAERO CC[NH2+]C[C@@H](OC[C@@H]1CCOC1)c1ccccc1 ZINC000050501371 170120322 /nfs/dbraw/zinc/12/03/22/170120322.db2.gz HDUFGLHKIGYNEH-UKRRQHHQSA-N 1 0 249.354 2.390 10 0 BEAERO CC[NH2+]C[C@@H](O)c1cc(C)c(C)cc1C ZINC000071510816 170120356 /nfs/dbraw/zinc/12/03/56/170120356.db2.gz SUWMIILTSHRXDH-CYBMUJFWSA-N 1 0 207.317 2.255 10 0 BEAERO CC[NH2+]C[C@@H](OCCc1ccccn1)C(C)C ZINC000052633612 170120405 /nfs/dbraw/zinc/12/04/05/170120405.db2.gz RZXFZGASPJKLMA-CQSZACIVSA-N 1 0 236.359 2.275 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2cccc(N(C)C)c2)C1 ZINC000076514803 170120432 /nfs/dbraw/zinc/12/04/32/170120432.db2.gz GPKNYAGXLDFBQK-ZDUSSCGKSA-N 1 0 247.386 2.188 10 0 BEAERO CC[NH2+]C[C@H](C(C)C)N1CCC(OCC)CC1 ZINC000052483915 170120802 /nfs/dbraw/zinc/12/08/02/170120802.db2.gz WCMZIKJYLLCFJM-CQSZACIVSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000054590805 170121024 /nfs/dbraw/zinc/12/10/24/170121024.db2.gz VOQBCYRCVDAJMH-NWDGAFQWSA-N 1 0 233.311 2.171 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cccc(OC)c1OC ZINC000054590632 170121114 /nfs/dbraw/zinc/12/11/14/170121114.db2.gz PNQJBMGNXRZCFT-JQWIXIFHSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000054590809 170121252 /nfs/dbraw/zinc/12/12/52/170121252.db2.gz VOQBCYRCVDAJMH-RYUDHWBXSA-N 1 0 233.311 2.171 10 0 BEAERO CC[NH2+]C[C@H](CC)N1CCc2ccccc2C1 ZINC000047944153 170122262 /nfs/dbraw/zinc/12/22/62/170122262.db2.gz IQVFBTPYXOVTAJ-HNNXBMFYSA-N 1 0 232.371 2.433 10 0 BEAERO CC[NH2+]C[C@H](OCCOC)c1ccc(F)cc1 ZINC000050495903 170122838 /nfs/dbraw/zinc/12/28/38/170122838.db2.gz FFTJYHFKGCEWLO-ZDUSSCGKSA-N 1 0 241.306 2.139 10 0 BEAERO CC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000071561555 170122992 /nfs/dbraw/zinc/12/29/92/170122992.db2.gz YMFRJEUQDSXYDD-LLVKDONJSA-N 1 0 247.260 2.218 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc2c(c1)CCCC2 ZINC000049817372 170123018 /nfs/dbraw/zinc/12/30/18/170123018.db2.gz HLXJQQGIBIBZDY-AWEZNQCLSA-N 1 0 219.328 2.208 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1cccc(OC)c1OC ZINC000054590635 170123300 /nfs/dbraw/zinc/12/33/00/170123300.db2.gz PNQJBMGNXRZCFT-PWSUYJOCSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000054590572 170123561 /nfs/dbraw/zinc/12/35/61/170123561.db2.gz KBACXFDWWKANJA-YPMHNXCESA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@]1(O)CCCCc2ccccc21 ZINC000055027811 170123800 /nfs/dbraw/zinc/12/38/00/170123800.db2.gz DLUMGONCXCSAEK-CQSZACIVSA-N 1 0 219.328 2.210 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1ccc(CC)cc1 ZINC000032011826 170123868 /nfs/dbraw/zinc/12/38/68/170123868.db2.gz ZJBSQVBJRRTKQC-ZDUSSCGKSA-N 1 0 207.317 2.066 10 0 BEAERO CC[NH2+]Cc1c(N(C)C(C)C)nc2ccccn21 ZINC000035434146 170124055 /nfs/dbraw/zinc/12/40/55/170124055.db2.gz ARXMNVGXSAJDQH-UHFFFAOYSA-N 1 0 246.358 2.288 10 0 BEAERO CC[NH2+]Cc1c[nH]c2ccc(OC)cc12 ZINC000045206659 170124818 /nfs/dbraw/zinc/12/48/18/170124818.db2.gz RRWBHGVMOLOIMF-UHFFFAOYSA-N 1 0 204.273 2.286 10 0 BEAERO CC[NH2+]Cc1c(Cl)cccc1-n1cncn1 ZINC000034825220 170124831 /nfs/dbraw/zinc/12/48/31/170124831.db2.gz AFZAAZSZFRIGPN-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1cc(C)nc(-c2ccco2)n1 ZINC000054831143 170125205 /nfs/dbraw/zinc/12/52/05/170125205.db2.gz XPBOXWFWQYIOKR-UHFFFAOYSA-N 1 0 217.272 2.155 10 0 BEAERO CC[NH2+]Cc1cc(Cn2cc(C)cn2)oc1C ZINC000052576852 170125792 /nfs/dbraw/zinc/12/57/92/170125792.db2.gz VMXLMESXTBONDF-UHFFFAOYSA-N 1 0 233.315 2.251 10 0 BEAERO CC[NH2+]Cc1cc(COCCCOC)c(C)o1 ZINC000052597867 170125861 /nfs/dbraw/zinc/12/58/61/170125861.db2.gz CMOHQHFZYHKQGP-UHFFFAOYSA-N 1 0 241.331 2.251 10 0 BEAERO CC[NH2+]Cc1cc(C)nc(-c2ncccc2C)n1 ZINC000054831282 170125878 /nfs/dbraw/zinc/12/58/78/170125878.db2.gz VZZCMKJVJOVRJY-UHFFFAOYSA-N 1 0 242.326 2.265 10 0 BEAERO CC[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000040768524 170126343 /nfs/dbraw/zinc/12/63/43/170126343.db2.gz AYTSNVBXCIZOFD-UHFFFAOYSA-N 1 0 201.273 2.186 10 0 BEAERO CC[NH2+]Cc1ccc(N2CCC[C@H]2C)nc1 ZINC000051398869 170127229 /nfs/dbraw/zinc/12/72/29/170127229.db2.gz LRGXGHNQCMKNFV-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1cccc(NC(=O)c2ccon2)c1 ZINC000044587156 170128052 /nfs/dbraw/zinc/12/80/52/170128052.db2.gz LQFUJFOSOAULPL-UHFFFAOYSA-N 1 0 245.282 2.036 10 0 BEAERO CC[NH2+]Cc1cccnc1N1CCC[C@@H]1C ZINC000051398760 170129635 /nfs/dbraw/zinc/12/96/35/170129635.db2.gz XIIZWEUUQGTTPA-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1cnc(C2CCCC2)nc1 ZINC000054855694 170130132 /nfs/dbraw/zinc/13/01/32/170130132.db2.gz XCAOCVWGRAWHPC-UHFFFAOYSA-N 1 0 205.305 2.244 10 0 BEAERO CC[NH2+]Cc1csc(CN2CCCCC2)n1 ZINC000045206614 170130173 /nfs/dbraw/zinc/13/01/73/170130173.db2.gz HJQOVQVQAHHAFJ-UHFFFAOYSA-N 1 0 239.388 2.239 10 0 BEAERO CC[NH2+]Cc1cnc(N2CCCCC2)s1 ZINC000054901052 170130184 /nfs/dbraw/zinc/13/01/84/170130184.db2.gz PCGPNQTXPBCTDD-UHFFFAOYSA-N 1 0 225.361 2.243 10 0 BEAERO CC[NH2+]Cc1cnc(N2CCC(C)CC2)s1 ZINC000054899879 170130404 /nfs/dbraw/zinc/13/04/04/170130404.db2.gz PMLVOLUIPBNMBT-UHFFFAOYSA-N 1 0 239.388 2.489 10 0 BEAERO CC[NH2+]Cc1csc(-c2cccnc2)n1 ZINC000040999605 170130603 /nfs/dbraw/zinc/13/06/03/170130603.db2.gz OUXUIRHOHHGILP-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1nc(-c2ccccn2)cs1 ZINC000053294246 170130694 /nfs/dbraw/zinc/13/06/94/170130694.db2.gz QCKAHAPJKPSSRC-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1nc(-c2ccco2)c(C)[nH]1 ZINC000054085351 170131086 /nfs/dbraw/zinc/13/10/86/170131086.db2.gz ACYSFFXESXZZHM-UHFFFAOYSA-N 1 0 205.261 2.088 10 0 BEAERO CC[NH2+]Cc1nn(CC)nc1-c1ccccc1 ZINC000045944830 170131567 /nfs/dbraw/zinc/13/15/67/170131567.db2.gz WPQMAGVAPLECFV-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO CC[NH2+]Cc1sc(CCOC)nc1CC ZINC000082422636 170132444 /nfs/dbraw/zinc/13/24/44/170132444.db2.gz VTHVSOIVWXDJCW-UHFFFAOYSA-N 1 0 228.361 2.004 10 0 BEAERO CC[NH2+]Cc1sc(CN(C)C)nc1C1CC1 ZINC000082436937 170132991 /nfs/dbraw/zinc/13/29/91/170132991.db2.gz NEKLBLDVANGJMQ-UHFFFAOYSA-N 1 0 239.388 2.192 10 0 BEAERO CC[NH2+]Cc1sc(CSC)nc1C ZINC000054497277 170133009 /nfs/dbraw/zinc/13/30/09/170133009.db2.gz JQSXGEOEDWLCSC-UHFFFAOYSA-N 1 0 216.375 2.424 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)NCCC1=CCCCC1 ZINC000061269598 170139036 /nfs/dbraw/zinc/13/90/36/170139036.db2.gz BZFZNJFQDBJYRE-LBPRGKRZSA-N 1 0 238.375 2.381 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OCC)c(C)c1 ZINC000071548294 170141047 /nfs/dbraw/zinc/14/10/47/170141047.db2.gz BMABRODWIYITKI-SMDDNHRTSA-N 1 0 237.343 2.425 10 0 BEAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)NC)cc1 ZINC000041708877 170142218 /nfs/dbraw/zinc/14/22/18/170142218.db2.gz MDPLTVZONGHRNK-VIFPVBQESA-N 1 0 221.304 2.108 10 0 BEAERO CC[NH2+][C@@H](C)c1nnc(-c2occc2C)o1 ZINC000050618697 170142546 /nfs/dbraw/zinc/14/25/46/170142546.db2.gz LHTBWJVPNYGFDK-QMMMGPOBSA-N 1 0 221.260 2.309 10 0 BEAERO CC[NH2+][C@@H](C)c1nnc(-c2scnc2C)o1 ZINC000050618777 170142603 /nfs/dbraw/zinc/14/26/03/170142603.db2.gz LHJIWSVSXBRQJC-ZETCQYMHSA-N 1 0 238.316 2.172 10 0 BEAERO CC[NH2+][C@@H](C)c1nc2cc(F)ccc2n1C ZINC000062366312 170142860 /nfs/dbraw/zinc/14/28/60/170142860.db2.gz BGJSSLQJESOZEB-QMMMGPOBSA-N 1 0 221.279 2.383 10 0 BEAERO CC[NH2+][C@@H](C)c1sc(N(C)C)nc1C ZINC000054901269 170143037 /nfs/dbraw/zinc/14/30/37/170143037.db2.gz SANPKHMYBNKVHB-ZETCQYMHSA-N 1 0 213.350 2.188 10 0 BEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(C)nc2)o1 ZINC000050618703 170143203 /nfs/dbraw/zinc/14/32/03/170143203.db2.gz ITDYQJBZTVEMJM-VIFPVBQESA-N 1 0 232.287 2.111 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc(-c2cnn(C)c2)s1 ZINC000054160322 170143278 /nfs/dbraw/zinc/14/32/78/170143278.db2.gz ARQSQQLOFDNGKO-QMMMGPOBSA-N 1 0 236.344 2.214 10 0 BEAERO CC[NH2+][C@@H](CC)c1ccc2[nH]c(=O)oc2c1 ZINC000035556514 170144027 /nfs/dbraw/zinc/14/40/27/170144027.db2.gz LMPIHRPGKRRTJT-VIFPVBQESA-N 1 0 220.272 2.182 10 0 BEAERO CC[NH2+][C@@H](CC)c1nnc(-c2ccccn2)o1 ZINC000061512190 170144228 /nfs/dbraw/zinc/14/42/28/170144228.db2.gz VFEJYZVOFVWVMV-VIFPVBQESA-N 1 0 232.287 2.192 10 0 BEAERO CC[NH2+][C@@H](CC)C(=O)c1cccc(OC)c1 ZINC000071523122 170144302 /nfs/dbraw/zinc/14/43/02/170144302.db2.gz NENFRSUWCQCVCW-LBPRGKRZSA-N 1 0 221.300 2.266 10 0 BEAERO CC[NH2+][C@@H](CCN1CCO[C@H](C)C1)C(C)(C)C ZINC000054027079 170145030 /nfs/dbraw/zinc/14/50/30/170145030.db2.gz DNXJXDZRDWBEIU-OLZOCXBDSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+][C@@H](CO)c1c(F)cccc1Cl ZINC000038120394 170145407 /nfs/dbraw/zinc/14/54/07/170145407.db2.gz OFTALOMDVQAVET-VIFPVBQESA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc(OCC)c(C)c1 ZINC000071531164 170145498 /nfs/dbraw/zinc/14/54/98/170145498.db2.gz WZEJDWRIOYWJFO-LBPRGKRZSA-N 1 0 223.316 2.037 10 0 BEAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000035555957 170146079 /nfs/dbraw/zinc/14/60/79/170146079.db2.gz VIGFGHMZUXZZGP-AWEZNQCLSA-N 1 0 247.317 2.453 10 0 BEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2C)C1CC1 ZINC000035551876 170148371 /nfs/dbraw/zinc/14/83/71/170148371.db2.gz YDHWIVPCOUMZTO-OAHLLOKOSA-N 1 0 244.338 2.266 10 0 BEAERO CC[NH2+][C@H](c1cnn(C)c1)c1cccc(OC)c1 ZINC000035555920 170148555 /nfs/dbraw/zinc/14/85/55/170148555.db2.gz QFWHIWKMUWUTHE-AWEZNQCLSA-N 1 0 245.326 2.128 10 0 BEAERO CC[NH2+][C@@H](c1cccc(C)c1)c1cnccn1 ZINC000037536038 170148563 /nfs/dbraw/zinc/14/85/63/170148563.db2.gz FWQDFPFYYSNVJD-AWEZNQCLSA-N 1 0 227.311 2.484 10 0 BEAERO CC[NH2+][C@@H](c1cccs1)[C@H]1CCOC1 ZINC000048624698 170148847 /nfs/dbraw/zinc/14/88/47/170148847.db2.gz PXMOXVRVLITBDU-GXSJLCMTSA-N 1 0 211.330 2.435 10 0 BEAERO CC[NH2+][C@@H](c1nccs1)C1CCOCC1 ZINC000052179445 170149324 /nfs/dbraw/zinc/14/93/24/170149324.db2.gz PMKHXQINMDIZBV-SNVBAGLBSA-N 1 0 226.345 2.220 10 0 BEAERO CC[NH2+][C@H](c1ccsc1)c1cncnc1 ZINC000052887102 170149672 /nfs/dbraw/zinc/14/96/72/170149672.db2.gz MTCKGBFEYSUDRD-LLVKDONJSA-N 1 0 219.313 2.237 10 0 BEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1n1cccn1 ZINC000043989152 170150306 /nfs/dbraw/zinc/15/03/06/170150306.db2.gz IOXPSOOOFQNYIK-NEPJUHHUSA-N 1 0 207.321 2.366 10 0 BEAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1C(=O)OC ZINC000309034328 170150381 /nfs/dbraw/zinc/15/03/81/170150381.db2.gz HCIIUKDCKYAEIG-WDEREUQCSA-N 1 0 213.321 2.108 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@@H]1n1cnc(C)c1C ZINC000051926864 170150619 /nfs/dbraw/zinc/15/06/19/170150619.db2.gz HLANFZKLEPFFIH-NEPJUHHUSA-N 1 0 207.321 2.203 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@@H]1OC1CCOCC1 ZINC000049898981 170151118 /nfs/dbraw/zinc/15/11/18/170151118.db2.gz FINGIGZGKIOHMZ-OLZOCXBDSA-N 1 0 227.348 2.103 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)C2CCCCC2)C1=O ZINC000052340294 170151364 /nfs/dbraw/zinc/15/13/64/170151364.db2.gz GWCOSLTZKUWRCM-WCQYABFASA-N 1 0 238.375 2.166 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@H]1c1cnn(CC)c1 ZINC000060716351 170152279 /nfs/dbraw/zinc/15/22/79/170152279.db2.gz ZEJBUISDJCMYIX-NWDGAFQWSA-N 1 0 207.321 2.149 10 0 BEAERO CC[NH2+][C@@H]1CCOc2cc(OC)ccc21 ZINC000082504656 170152818 /nfs/dbraw/zinc/15/28/18/170152818.db2.gz FDKRIARYLLVKQC-LLVKDONJSA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2C)C1=O ZINC000049647789 170153011 /nfs/dbraw/zinc/15/30/11/170153011.db2.gz QIVHGTLDNZRTRF-GFCCVEGCSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647797 170153113 /nfs/dbraw/zinc/15/31/13/170153113.db2.gz VFZKPFOQIRKRLC-CYBMUJFWSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2cccs2)C1=O ZINC000049648755 170153116 /nfs/dbraw/zinc/15/31/16/170153116.db2.gz VZOADVKOOATAHI-VHSXEESVSA-N 1 0 238.356 2.020 10 0 BEAERO CC[NH2+][C@@H]1COc2c1ccc1c2OC(C)(C)C1 ZINC000035653959 170153641 /nfs/dbraw/zinc/15/36/41/170153641.db2.gz SFAGIYJFZIXQIF-LLVKDONJSA-N 1 0 233.311 2.443 10 0 BEAERO CC[NH2+][C@@H]1CC[S@](=O)c2ccc(C)cc21 ZINC000040974875 170153933 /nfs/dbraw/zinc/15/39/33/170153933.db2.gz IUMIFEIDZNCFKY-IAQYHMDHSA-N 1 0 223.341 2.157 10 0 BEAERO CC[NH2+][C@@H]1CC[S@](=O)c2c(C)cc(C)cc21 ZINC000040974645 170153987 /nfs/dbraw/zinc/15/39/87/170153987.db2.gz UCRWJDFIRPRYKE-MLGOLLRUSA-N 1 0 237.368 2.465 10 0 BEAERO CCN[C@@](C)(C(=O)OC)c1ccc(C)cc1C ZINC000037446683 170155271 /nfs/dbraw/zinc/15/52/71/170155271.db2.gz BKPNIPJKVUDJRB-CQSZACIVSA-N 1 0 235.327 2.301 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1 ZINC000061268983 170156894 /nfs/dbraw/zinc/15/68/94/170156894.db2.gz JJZGCXXGBLITGZ-GFCCVEGCSA-N 1 0 234.343 2.033 10 0 BEAERO CC[NH2+][C@H](C)Cc1nnc(C)n1C1CCCC1 ZINC000061213765 170158227 /nfs/dbraw/zinc/15/82/27/170158227.db2.gz WCAIDKMHLNIZCF-SNVBAGLBSA-N 1 0 236.363 2.242 10 0 BEAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(OC)c(CC)c1 ZINC000071548268 170158237 /nfs/dbraw/zinc/15/82/37/170158237.db2.gz RBTRKPNXCYWGCE-QMTHXVAHSA-N 1 0 237.343 2.289 10 0 BEAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(OCC)c(F)c1 ZINC000071550636 170158590 /nfs/dbraw/zinc/15/85/90/170158590.db2.gz KLWCUENBXNWZOJ-NOZJJQNGSA-N 1 0 241.306 2.256 10 0 BEAERO CC[NH2+][C@H](C)c1cnn(C[C@H]2CCCCO2)c1 ZINC000054721256 170159918 /nfs/dbraw/zinc/15/99/18/170159918.db2.gz VKYGEAKLLMJJLF-DGCLKSJQSA-N 1 0 237.347 2.123 10 0 BEAERO CC[NH2+][C@H](C)c1nnc(-c2ccc(C)nc2)o1 ZINC000050618704 170160014 /nfs/dbraw/zinc/16/00/14/170160014.db2.gz ITDYQJBZTVEMJM-SECBINFHSA-N 1 0 232.287 2.111 10 0 BEAERO CC[NH2+][C@H](CC(=O)OCC)Cc1ccccc1 ZINC000074485204 170160881 /nfs/dbraw/zinc/16/08/81/170160881.db2.gz LIGUXKUWUCZISI-ZDUSSCGKSA-N 1 0 235.327 2.160 10 0 BEAERO CC[NH2+][C@H](CN)c1ccc(OC(F)(F)F)cc1 ZINC000050270217 170162619 /nfs/dbraw/zinc/16/26/19/170162619.db2.gz WACXIBNWGSRJBF-SNVBAGLBSA-N 1 0 248.248 2.195 10 0 BEAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1cnn(C)c1 ZINC000035555801 170162752 /nfs/dbraw/zinc/16/27/52/170162752.db2.gz CTAKVLPVTARLTM-CQSZACIVSA-N 1 0 247.317 2.453 10 0 BEAERO CC[NH2+][C@H](Cn1ccc(=O)cc1)c1ccccc1 ZINC000061627828 170162855 /nfs/dbraw/zinc/16/28/55/170162855.db2.gz FLDAZLZZVZCWPL-OAHLLOKOSA-N 1 0 242.322 2.199 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)Cc1ccccc1F ZINC000035570415 170163437 /nfs/dbraw/zinc/16/34/37/170163437.db2.gz OVVUCSJRBBWMDE-LBPRGKRZSA-N 1 0 247.317 2.312 10 0 BEAERO CC[NH2+][C@H](c1cccc(OC)c1)[C@@H]1CCOC1 ZINC000104101598 170163857 /nfs/dbraw/zinc/16/38/57/170163857.db2.gz YRWNUYLWMPALMW-TZMCWYRMSA-N 1 0 235.327 2.382 10 0 BEAERO CC[NH2+][C@H](c1ccc(OC)cc1)c1cnccn1 ZINC000037536055 170164005 /nfs/dbraw/zinc/16/40/05/170164005.db2.gz ZRENFOFHWDHOFE-CQSZACIVSA-N 1 0 243.310 2.184 10 0 BEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2C)C1CC1 ZINC000035551879 170164081 /nfs/dbraw/zinc/16/40/81/170164081.db2.gz YDHWIVPCOUMZTO-HNNXBMFYSA-N 1 0 244.338 2.266 10 0 BEAERO CC[NH2+][C@H](c1nccs1)C1CCOCC1 ZINC000052179446 170164700 /nfs/dbraw/zinc/16/47/00/170164700.db2.gz PMKHXQINMDIZBV-JTQLQIEISA-N 1 0 226.345 2.220 10 0 BEAERO CC[NH2+][C@H](c1ccco1)[C@@H]1CCCOC1 ZINC000062234552 170164985 /nfs/dbraw/zinc/16/49/85/170164985.db2.gz UGRFARVEKRSUDG-PWSUYJOCSA-N 1 0 209.289 2.357 10 0 BEAERO CC[NH2+][C@H](c1cnn(C)c1)c1cccs1 ZINC000035555511 170165093 /nfs/dbraw/zinc/16/50/93/170165093.db2.gz IDACQPWWXFFUAK-LLVKDONJSA-N 1 0 221.329 2.181 10 0 BEAERO CC[NH2+][C@H]1CC(C)(C)Cc2nc(C)ncc21 ZINC000050101189 170165568 /nfs/dbraw/zinc/16/55/68/170165568.db2.gz LBWOYAJJWDHUSW-NSHDSACASA-N 1 0 219.332 2.408 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@@H]1OC1CCOCC1 ZINC000049898982 170165666 /nfs/dbraw/zinc/16/56/66/170165666.db2.gz FINGIGZGKIOHMZ-STQMWFEESA-N 1 0 227.348 2.103 10 0 BEAERO CC[NH2+][C@@H]1c2ccc(SC)cc2NC1=O ZINC000038063776 170165942 /nfs/dbraw/zinc/16/59/42/170165942.db2.gz CFOAHMLJPDLOGI-SNVBAGLBSA-N 1 0 222.313 2.011 10 0 BEAERO CC[NH2+][C@H]1CCC[S@](=O)c2ccccc21 ZINC000040973542 170166827 /nfs/dbraw/zinc/16/68/27/170166827.db2.gz DPGLLIVATZYEFP-XHDPSFHLSA-N 1 0 223.341 2.239 10 0 BEAERO CC[NH2+][C@H]1CCN(CC2CCCCC2)C1 ZINC000037259761 170166915 /nfs/dbraw/zinc/16/69/15/170166915.db2.gz QAUIIZBIXPZVFO-ZDUSSCGKSA-N 1 0 210.365 2.251 10 0 BEAERO CC[NH2+][C@H]1CCN(C2CCCCCCC2)C1=O ZINC000049647322 170167135 /nfs/dbraw/zinc/16/71/35/170167135.db2.gz KXSHTWMHRSBTDS-ZDUSSCGKSA-N 1 0 238.375 2.310 10 0 BEAERO CC[NH2+][C@H]1CCN(C[C@H]2CCCC[C@@H]2C)C1=O ZINC000042864342 170167669 /nfs/dbraw/zinc/16/76/69/170167669.db2.gz ZZGOABCGMJXKFP-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO CC[NH2+][C@H]1CC[S@](=O)c2cc(F)c(F)cc21 ZINC000040976690 170168640 /nfs/dbraw/zinc/16/86/40/170168640.db2.gz ZOHIKKBCCPKWOK-MGPLVRAMSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@H]1CC[S@@](=O)c2c(F)ccc(F)c21 ZINC000040977581 170168655 /nfs/dbraw/zinc/16/86/55/170168655.db2.gz ICVIFZYIUZIEHH-FVMDXXJSSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@H]1CCOc2c(OC)cccc21 ZINC000035652567 170168865 /nfs/dbraw/zinc/16/88/65/170168865.db2.gz YKEKEPPOSVSNCJ-JTQLQIEISA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@H]1CC[S@](=O)c2c(C)cc(C)cc21 ZINC000040974646 170168881 /nfs/dbraw/zinc/16/88/81/170168881.db2.gz UCRWJDFIRPRYKE-BLLLJJGKSA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@](C)(CO)c1ccc(Cl)cc1 ZINC000038120161 170170286 /nfs/dbraw/zinc/17/02/86/170170286.db2.gz ZJYKDAIZXAFGGL-LLVKDONJSA-N 1 0 213.708 2.157 10 0 BEAERO CCNc1ccc(C[N@@H+]2CCC[C@H]2C)cn1 ZINC000050791683 170173400 /nfs/dbraw/zinc/17/34/00/170173400.db2.gz ZOKFKKQBLKSDRR-LLVKDONJSA-N 1 0 219.332 2.498 10 0 BEAERO CCNc1ccc(C[NH+]2CCC(OC)CC2)cn1 ZINC000050813395 170173678 /nfs/dbraw/zinc/17/36/78/170173678.db2.gz GLWKWSSJABDNJQ-UHFFFAOYSA-N 1 0 249.358 2.124 10 0 BEAERO CC[C@]1(C)COCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000660150812 411547602 /nfs/dbraw/zinc/54/76/02/411547602.db2.gz ZWFUVOLGIBNWBI-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1cc(C)ccc1C ZINC000045689262 170208930 /nfs/dbraw/zinc/20/89/30/170208930.db2.gz MSOZHXGPVGUCTE-UHFFFAOYSA-N 1 0 235.327 2.346 10 0 BEAERO CCOC(=O)CC[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000037636379 170211933 /nfs/dbraw/zinc/21/19/33/170211933.db2.gz TZKKYOBRZNNRSW-NSHDSACASA-N 1 0 243.253 2.308 10 0 BEAERO CCOC(=O)C[C@@H]([NH2+]C)C1CCCCC1 ZINC000002511957 170231399 /nfs/dbraw/zinc/23/13/99/170231399.db2.gz FVMFOKZFPRAPQJ-LLVKDONJSA-N 1 0 213.321 2.108 10 0 BEAERO CCOC(=O)C[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000073655838 170232211 /nfs/dbraw/zinc/23/22/11/170232211.db2.gz JUDXOJUKZVXYSC-WDEREUQCSA-N 1 0 213.321 2.060 10 0 BEAERO CCOC(CCNc1cc[nH+]cc1)OCC ZINC000015042284 170315055 /nfs/dbraw/zinc/31/50/55/170315055.db2.gz GSCFCOHECNTJJE-UHFFFAOYSA-N 1 0 224.304 2.283 10 0 BEAERO CC(C)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660370282 411573626 /nfs/dbraw/zinc/57/36/26/411573626.db2.gz HKOBYQXDPLUGMP-YNEHKIRRSA-N 1 0 211.349 2.268 10 0 BEAERO CCOCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000036852164 170383475 /nfs/dbraw/zinc/38/34/75/170383475.db2.gz CKGDHZHXCHFPEH-ZDUSSCGKSA-N 1 0 235.327 2.396 10 0 BEAERO CCOCCN1CCCC[C@H]1C[NH2+]CC(C)C ZINC000053653122 170397605 /nfs/dbraw/zinc/39/76/05/170397605.db2.gz GAUXCKBIVVQZGU-AWEZNQCLSA-N 1 0 242.407 2.123 10 0 BEAERO CCOCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195441592 170398181 /nfs/dbraw/zinc/39/81/81/170398181.db2.gz ZYUAOZOZRSRUCS-LLVKDONJSA-N 1 0 240.372 2.359 10 0 BEAERO CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124881680 170398949 /nfs/dbraw/zinc/39/89/49/170398949.db2.gz QIAKFWUKBJPHEN-MJBXVCDLSA-N 1 0 241.375 2.038 10 0 BEAERO CCOCCOCc1ccccc1C[NH2+]C1CC1 ZINC000052604466 170420317 /nfs/dbraw/zinc/42/03/17/170420317.db2.gz POSDSCHFZLSPGL-UHFFFAOYSA-N 1 0 249.354 2.492 10 0 BEAERO C[C@@H](CN(C)C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000130186678 411578357 /nfs/dbraw/zinc/57/83/57/411578357.db2.gz JQEINCRBPNNGMV-AGIUHOORSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@H]([NH2+]CC(O)(C1CC1)C1CC1)[C@@H]1C[C@H]1C ZINC000657699704 411582505 /nfs/dbraw/zinc/58/25/05/411582505.db2.gz NYPZXDUBNHYSQH-GBIKHYSHSA-N 1 0 223.360 2.172 10 0 BEAERO CCCc1nccnc1NCC[NH+]1CCCCC1 ZINC000663390779 411645873 /nfs/dbraw/zinc/64/58/73/411645873.db2.gz XCNAGCXIQZQJNG-UHFFFAOYSA-N 1 0 248.374 2.327 10 0 BEAERO CC1CCC(C[NH2+]C2CC(CO)C2)CC1 ZINC000657810563 411601036 /nfs/dbraw/zinc/60/10/36/411601036.db2.gz HFEOZIKBZBTDLK-UHFFFAOYSA-N 1 0 211.349 2.173 10 0 BEAERO OCC1CC([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000657811207 411602871 /nfs/dbraw/zinc/60/28/71/411602871.db2.gz QPBPFTQYMVAOSV-UHFFFAOYSA-N 1 0 231.339 2.425 10 0 BEAERO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CC(CO)C2)C1 ZINC000657810721 411602914 /nfs/dbraw/zinc/60/29/14/411602914.db2.gz JETHNGZRASWYKK-JOTXSSJUSA-N 1 0 223.360 2.339 10 0 BEAERO OCC1CC([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000657812298 411603396 /nfs/dbraw/zinc/60/33/96/411603396.db2.gz GWKACZBSVPUGID-UHFFFAOYSA-N 1 0 230.311 2.028 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCSCC1)[C@H]1CCCO1 ZINC000657835031 411609394 /nfs/dbraw/zinc/60/93/94/411609394.db2.gz NVDDAYKNXNCCIP-QJPTWQEYSA-N 1 0 229.389 2.429 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000657848036 411611709 /nfs/dbraw/zinc/61/17/09/411611709.db2.gz ZWBJOVVJRRKQRB-IJLUTSLNSA-N 1 0 209.333 2.212 10 0 BEAERO CCO[C@@H](C[NH3+])Cn1ccc2ccc(C)cc21 ZINC000062740070 170478119 /nfs/dbraw/zinc/47/81/19/170478119.db2.gz OPGBMVWCDNVGMK-ZDUSSCGKSA-N 1 0 232.327 2.314 10 0 BEAERO CCOc1ccc([C@@H](O)[C@H]([NH3+])CC(C)C)cc1 ZINC000054929280 170559963 /nfs/dbraw/zinc/55/99/63/170559963.db2.gz LVJGHHYTACXYBC-ZIAGYGMSSA-N 1 0 237.343 2.492 10 0 BEAERO CCOc1ccc([C@H](O)[C@H]([NH2+]C)C(C)C)cc1 ZINC000071548169 170563785 /nfs/dbraw/zinc/56/37/85/170563785.db2.gz RGBXQXKQVIPKRJ-KGLIPLIRSA-N 1 0 237.343 2.363 10 0 BEAERO CCOc1ccc([C@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000036163518 170564308 /nfs/dbraw/zinc/56/43/08/170564308.db2.gz UUMPINZEGZIAOY-JSGCOSHPSA-N 1 0 235.327 2.118 10 0 BEAERO C[C@@H]1OCC[C@H]1Nc1nccc2c(N)cccc21 ZINC000663755551 411738768 /nfs/dbraw/zinc/73/87/68/411738768.db2.gz JOIGSGNAZNYWQL-TVQRCGJNSA-N 1 0 243.310 2.406 10 0 BEAERO CC[C@@H](C)[NH2+]C1(C(N)=O)CCCCCCC1 ZINC000038065350 170749644 /nfs/dbraw/zinc/74/96/44/170749644.db2.gz UVXIBZHKHSUICW-LLVKDONJSA-N 1 0 226.364 2.343 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000037140707 170755838 /nfs/dbraw/zinc/75/58/38/170755838.db2.gz RICICBYIETXHDI-MNOVXSKESA-N 1 0 236.363 2.454 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C)n1 ZINC000129469771 170778194 /nfs/dbraw/zinc/77/81/94/170778194.db2.gz CSHZFHRZPSMFRY-BXKDBHETSA-N 1 0 235.331 2.010 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])CN(C)c1ccccc1 ZINC000020071689 170778674 /nfs/dbraw/zinc/77/86/74/170778674.db2.gz OWVIZZMNYRMODF-YPMHNXCESA-N 1 0 206.333 2.496 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H](C)O1 ZINC000661853466 411903001 /nfs/dbraw/zinc/90/30/01/411903001.db2.gz SOJOYXHGFLSPOB-RQJABVFESA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])CN1Cc2ccccc2C1 ZINC000050912655 170795394 /nfs/dbraw/zinc/79/53/94/170795394.db2.gz UAVYIKWJJSDFOC-BXUZGUMPSA-N 1 0 218.344 2.376 10 0 BEAERO CC[C@@H](CC[NH3+])C(=O)N[C@H](C)c1ccccc1 ZINC000076616420 170816277 /nfs/dbraw/zinc/81/62/77/170816277.db2.gz LKMCUWCDJKIVMC-NEPJUHHUSA-N 1 0 234.343 2.239 10 0 BEAERO CC[C@@H]([NH3+])CNc1ccc(C(F)(F)F)cn1 ZINC000082579442 170865428 /nfs/dbraw/zinc/86/54/28/170865428.db2.gz RYMYLGMDAAWIHA-MRVPVSSYSA-N 1 0 233.237 2.250 10 0 BEAERO CC[C@@H]([NH3+])Cc1ccccc1OCCCOC ZINC000037754305 170866207 /nfs/dbraw/zinc/86/62/07/170866207.db2.gz ODTJTAOWWAFSJW-CYBMUJFWSA-N 1 0 237.343 2.382 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000032101488 170868435 /nfs/dbraw/zinc/86/84/35/170868435.db2.gz FAFPZNUDESRRFH-NXEZZACHSA-N 1 0 244.132 2.220 10 0 BEAERO CC[C@@H]([NH3+])c1cnn(Cc2cccc(F)c2)c1 ZINC000054717125 170870821 /nfs/dbraw/zinc/87/08/21/170870821.db2.gz CFVNRNZQXUOOLY-CYBMUJFWSA-N 1 0 233.290 2.480 10 0 BEAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404659 170929700 /nfs/dbraw/zinc/92/97/00/170929700.db2.gz OMPAAYDBFXWUNV-GHMZBOCLSA-N 1 0 209.289 2.187 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000348167696 170990747 /nfs/dbraw/zinc/99/07/47/170990747.db2.gz QHAHYYMUMDGJJJ-UPJWGTAASA-N 1 0 243.391 2.331 10 0 BEAERO CC[C@@H]1CCN(Cc2cccc(OC)c2)CC[NH2+]1 ZINC000049662275 171012450 /nfs/dbraw/zinc/01/24/50/171012450.db2.gz OVODRDXUCGAUGH-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CC[C@@H]1CCN([C@@H](C)c2ccco2)CC[NH2+]1 ZINC000049661999 171014331 /nfs/dbraw/zinc/01/43/31/171014331.db2.gz QIGLUBCTAOLPQJ-NWDGAFQWSA-N 1 0 222.332 2.415 10 0 BEAERO CC[C@@H]1CCN(c2ccccc2)CC[NH2+]1 ZINC000049661582 171014544 /nfs/dbraw/zinc/01/45/44/171014544.db2.gz BTPAQXBSTTYEKI-GFCCVEGCSA-N 1 0 204.317 2.265 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(CC)C1 ZINC000336732101 171045109 /nfs/dbraw/zinc/04/51/09/171045109.db2.gz LCSJJMLSWAFDKQ-AGIUHOORSA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CCc2nc(C[NH2+]C)sc2C1 ZINC000053294102 171060365 /nfs/dbraw/zinc/06/03/65/171060365.db2.gz PRTVVJXXIWKMBF-MRVPVSSYSA-N 1 0 210.346 2.377 10 0 BEAERO CC[C@@H]1C[N@@H+](C(C)(C)C)[C@H](C(C)C)CN1 ZINC000083087904 171074210 /nfs/dbraw/zinc/07/42/10/171074210.db2.gz IRPHUHMLKWIMMF-NEPJUHHUSA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@@H]1CN(CC)[C@H](Cc2ccccc2)C[NH2+]1 ZINC000083359303 171076369 /nfs/dbraw/zinc/07/63/69/171076369.db2.gz ZCESJOBDLKKGGE-HUUCEWRRSA-N 1 0 232.371 2.301 10 0 BEAERO CC[C@@H]1CN(CC)CC[N@@H+]1C1CCCC1 ZINC000336306993 171076792 /nfs/dbraw/zinc/07/67/92/171076792.db2.gz RJVSKPROZNCLJP-GFCCVEGCSA-N 1 0 210.365 2.345 10 0 BEAERO CC[C@@H]1C[N@H+](CCC(C)C)[C@H](CC)CN1 ZINC000082936511 171078140 /nfs/dbraw/zinc/07/81/40/171078140.db2.gz YECMGFISZZARSZ-CHWSQXEVSA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C)CCN1 ZINC000083060065 171093404 /nfs/dbraw/zinc/09/34/04/171093404.db2.gz GMAGJBAYTXYJRP-YNEHKIRRSA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CN([C@]2(C[NH3+])CCC[C@H](C)C2)CCO1 ZINC000036769538 171098187 /nfs/dbraw/zinc/09/81/87/171098187.db2.gz KFYFCPDRAQEJQN-BFHYXJOUSA-N 1 0 240.391 2.005 10 0 BEAERO CC[C@@H]1CN([C@]2(C[NH3+])CCCC[C@@H]2C)CCO1 ZINC000036769500 171098303 /nfs/dbraw/zinc/09/83/03/171098303.db2.gz WAVRCZNFOVLPME-MJBXVCDLSA-N 1 0 240.391 2.005 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCF ZINC000303392607 171099504 /nfs/dbraw/zinc/09/95/04/171099504.db2.gz DBHKGKZOQHKXMZ-CHWSQXEVSA-N 1 0 228.355 2.295 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1nc2ccccc2o1 ZINC000096300905 171100704 /nfs/dbraw/zinc/10/07/04/171100704.db2.gz JWYNOPKTWSEZLT-SNVBAGLBSA-N 1 0 231.299 2.016 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1nc2ccccc2s1 ZINC000083377589 171102000 /nfs/dbraw/zinc/10/20/00/171102000.db2.gz XOSIVLZSBROKOJ-SNVBAGLBSA-N 1 0 247.367 2.485 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1cccc(F)c1 ZINC000083363982 171103277 /nfs/dbraw/zinc/10/32/77/171103277.db2.gz RKNMUVNVUQJTOW-BXUZGUMPSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1cccc(OC)c1 ZINC000083379395 171103480 /nfs/dbraw/zinc/10/34/80/171103480.db2.gz UDIMRWMYWBXZRZ-TZMCWYRMSA-N 1 0 248.370 2.268 10 0 BEAERO CC[C@@H]1CO[C@@H](c2cc(F)ccc2F)C[NH2+]1 ZINC000036672794 171109223 /nfs/dbraw/zinc/10/92/23/171109223.db2.gz NRCTXZGBUBTUJR-BXKDBHETSA-N 1 0 227.254 2.404 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccccc2OC)C[NH2+]1 ZINC000036986295 171110399 /nfs/dbraw/zinc/11/03/99/171110399.db2.gz FQGOSVGDJSCOBV-ZWNOBZJWSA-N 1 0 221.300 2.135 10 0 BEAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367281965 171118098 /nfs/dbraw/zinc/11/80/98/171118098.db2.gz FOSBTBDDSMPCAR-FDYHWXHSSA-N 1 0 238.375 2.022 10 0 BEAERO CC[C@@](C)(C[NH3+])CN1CCc2ccccc21 ZINC000051206667 171165997 /nfs/dbraw/zinc/16/59/97/171165997.db2.gz XQLUIZRHLOHHQI-AWEZNQCLSA-N 1 0 218.344 2.424 10 0 BEAERO CC[C@@](C)(C[NH2+]C(C)C)CN1CCO[C@H](C)C1 ZINC000051210681 171166807 /nfs/dbraw/zinc/16/68/07/171166807.db2.gz LULMEFCESDHKPN-KGLIPLIRSA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@@](C)([NH3+])c1cc(OC)ccc1OC ZINC000055234500 171170592 /nfs/dbraw/zinc/17/05/92/171170592.db2.gz HLGZNNBFDANUFT-GFCCVEGCSA-N 1 0 209.289 2.288 10 0 BEAERO CC[C@@](C)([NH3+])c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000071396883 171172526 /nfs/dbraw/zinc/17/25/26/171172526.db2.gz IYIANCXFIFXCJM-CQSZACIVSA-N 1 0 243.310 2.021 10 0 BEAERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000119383527 171184069 /nfs/dbraw/zinc/18/40/69/171184069.db2.gz IRPNONPVTFAPIH-GXSJLCMTSA-N 1 0 228.361 2.263 10 0 BEAERO CC[C@@](C)(O)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000119086221 171184767 /nfs/dbraw/zinc/18/47/67/171184767.db2.gz WNXJHBMDYBWXFB-WCQYABFASA-N 1 0 241.331 2.026 10 0 BEAERO CC[C@@](O)(C[NH2+]C1CC1)c1ccc(F)cc1 ZINC000032014490 171195184 /nfs/dbraw/zinc/19/51/84/171195184.db2.gz XMZWRPPKHUTPOD-CYBMUJFWSA-N 1 0 223.291 2.175 10 0 BEAERO CC[C@@]1(C(=O)NCC2CCCC2)CCC[NH2+]C1 ZINC000062853529 171195757 /nfs/dbraw/zinc/19/57/57/171195757.db2.gz NSNREOKGEMZPGP-CQSZACIVSA-N 1 0 238.375 2.073 10 0 BEAERO CC[C@@]1(c2cccc(Cl)c2)C[C@@]1(C[NH3+])CO ZINC000070500902 171216111 /nfs/dbraw/zinc/21/61/11/171216111.db2.gz PSWGMWOBQSWNHU-OLZOCXBDSA-N 1 0 239.746 2.329 10 0 BEAERO CC[C@H](C(N)=O)[NH+]1CCC(C(C)(C)C)CC1 ZINC000061679484 171242773 /nfs/dbraw/zinc/24/27/73/171242773.db2.gz SLXRYJRVRJWKIY-LLVKDONJSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H](C)C(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000019843703 171246455 /nfs/dbraw/zinc/24/64/55/171246455.db2.gz LFDVOLDBHGIVSY-NWDGAFQWSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@H](C)C(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000019843701 171246630 /nfs/dbraw/zinc/24/66/30/171246630.db2.gz LFDVOLDBHGIVSY-RYUDHWBXSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@H](C)C(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915680 171248450 /nfs/dbraw/zinc/24/84/50/171248450.db2.gz GVVBGILNECANMM-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H](C)C(=O)Nc1ccc(F)c(C[NH3+])c1 ZINC000051634751 171255746 /nfs/dbraw/zinc/25/57/46/171255746.db2.gz MZRHPUNSHANDAR-QMMMGPOBSA-N 1 0 224.279 2.269 10 0 BEAERO CC[C@H](C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000304325791 171259298 /nfs/dbraw/zinc/25/92/98/171259298.db2.gz SWPJJVLPAXZZEU-QWRGUYRKSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H](C)C[C@@](CC)([NH2+]CC1CC1)C(N)=O ZINC000037947030 171296160 /nfs/dbraw/zinc/29/61/60/171296160.db2.gz QMTXEPRUYJHGLX-GXFFZTMASA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@H](C)C[C@@H](C[NH3+])C(=O)N1CCCCCC1 ZINC000051690261 171297024 /nfs/dbraw/zinc/29/70/24/171297024.db2.gz PFMUGIGWMAHNNV-STQMWFEESA-N 1 0 240.391 2.400 10 0 BEAERO CC[C@H](C)[N@H+](C)Cc1nc2cc(N)ccc2[nH]1 ZINC000037273403 171309892 /nfs/dbraw/zinc/30/98/92/171309892.db2.gz CORZIEGVAJTMBI-VIFPVBQESA-N 1 0 232.331 2.375 10 0 BEAERO CC[C@H](C)N(CC)C(=O)C1(CC)CC[NH2+]CC1 ZINC000062848072 171311690 /nfs/dbraw/zinc/31/16/90/171311690.db2.gz ZZKKNKDDJWYLPU-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO CC[C@H](C)N(CC)C(=O)Cc1ccc(C[NH3+])cc1 ZINC000104114177 171312374 /nfs/dbraw/zinc/31/23/74/171312374.db2.gz UTLKTYCMYWGYKX-LBPRGKRZSA-N 1 0 248.370 2.335 10 0 BEAERO CC[C@H](C)N(CC)[C@@H](C[NH3+])c1ccccn1 ZINC000037112764 171312418 /nfs/dbraw/zinc/31/24/18/171312418.db2.gz WJHPBOJLDWGGDM-AAEUAGOBSA-N 1 0 221.348 2.202 10 0 BEAERO CC[C@H](C)N(CC[NH2+][C@@H](C)C1CC1)CCOC ZINC000053440494 171313256 /nfs/dbraw/zinc/31/32/56/171313256.db2.gz FITPLWBCXWXCQZ-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@H](C)N(Cc1cccc(C)c1)C(=O)CC[NH3+] ZINC000032103968 171315833 /nfs/dbraw/zinc/31/58/33/171315833.db2.gz HEZKHHMCKDJFEE-ZDUSSCGKSA-N 1 0 248.370 2.471 10 0 BEAERO CC[C@H](C)[N@@H+]1CC(C)(C)NC[C@@H]1C(C)C ZINC000062570973 171318211 /nfs/dbraw/zinc/31/82/11/171318211.db2.gz KAXJAKYVYVFIBN-NWDGAFQWSA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1ccccc1 ZINC000057524305 171327642 /nfs/dbraw/zinc/32/76/42/171327642.db2.gz WEDLHQUFMDTBQL-AAEUAGOBSA-N 1 0 234.343 2.034 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H]1CCCC[C@H]1CC ZINC000037617553 171339059 /nfs/dbraw/zinc/33/90/59/171339059.db2.gz AKRNNYQGDXQQQG-XQQFMLRXSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1CC ZINC000037617555 171339715 /nfs/dbraw/zinc/33/97/15/171339715.db2.gz AKRNNYQGDXQQQG-YNEHKIRRSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@H](C)[NH2+]CCN(CC)Cc1ccncc1 ZINC000042516921 171340079 /nfs/dbraw/zinc/34/00/79/171340079.db2.gz SYEMEXBNVALATH-ZDUSSCGKSA-N 1 0 235.375 2.292 10 0 BEAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc2c(c1)OCO2 ZINC000049836945 171340315 /nfs/dbraw/zinc/34/03/15/171340315.db2.gz VNCDWOQLAKYYCA-JTQLQIEISA-N 1 0 249.310 2.376 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037873105 171341134 /nfs/dbraw/zinc/34/11/34/171341134.db2.gz KALDFHPBKNRMPU-QPUJVOFHSA-N 1 0 229.270 2.386 10 0 BEAERO CC[C@H](C)[NH2+]CC[C@H](O)c1cccc(N)c1 ZINC000098124782 171341433 /nfs/dbraw/zinc/34/14/33/171341433.db2.gz RUPYYWUBGSAAIC-GWCFXTLKSA-N 1 0 222.332 2.080 10 0 BEAERO CC[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000061669979 171343260 /nfs/dbraw/zinc/34/32/60/171343260.db2.gz VMOJAFDSNJHHBV-VIFPVBQESA-N 1 0 203.289 2.451 10 0 BEAERO CC[C@H](C)OC(=O)[C@H]([NH3+])C1CCCCC1 ZINC000038037215 171351550 /nfs/dbraw/zinc/35/15/50/171351550.db2.gz XNTGYWBKUMFLNX-GXSJLCMTSA-N 1 0 213.321 2.236 10 0 BEAERO CC[C@H](C)Sc1ccc(C(N)=[NH2+])cn1 ZINC000019870337 171356811 /nfs/dbraw/zinc/35/68/11/171356811.db2.gz ZAHKZJLCPIJDAS-ZETCQYMHSA-N 1 0 209.318 2.256 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000020072526 171372193 /nfs/dbraw/zinc/37/21/93/171372193.db2.gz MGPIEJXAMLBJJD-JSGCOSHPSA-N 1 0 220.360 2.492 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])CN1Cc2ccccc2C1 ZINC000050912658 171372230 /nfs/dbraw/zinc/37/22/30/171372230.db2.gz UAVYIKWJJSDFOC-FZMZJTMJSA-N 1 0 218.344 2.376 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nncn1C1CCCC1 ZINC000054526424 171372606 /nfs/dbraw/zinc/37/26/06/171372606.db2.gz RNLJJCQYVOAUAB-GXSJLCMTSA-N 1 0 222.336 2.439 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nc2ccccc2n1CCO ZINC000037900718 171372637 /nfs/dbraw/zinc/37/26/37/171372637.db2.gz JRXTUPHJCYYELD-GXFFZTMASA-N 1 0 247.342 2.075 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819553 171394001 /nfs/dbraw/zinc/39/40/01/171394001.db2.gz FZINFGACTNYDPG-UHTWSYAYSA-N 1 0 249.358 2.052 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)o1 ZINC000040462757 171396670 /nfs/dbraw/zinc/39/66/70/171396670.db2.gz UYSUOJLEXCPYQR-XRNSZHNASA-N 1 0 238.331 2.139 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)COC2 ZINC000182962803 171397032 /nfs/dbraw/zinc/39/70/32/171397032.db2.gz IEPUCKZLZRLCAE-ZANVPECISA-N 1 0 248.326 2.029 10 0 BEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000662378487 412131083 /nfs/dbraw/zinc/13/10/83/412131083.db2.gz VSWICVKSDFDMSA-GXTWGEPZSA-N 1 0 248.370 2.479 10 0 BEAERO O[C@H]1CCC[C@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC000309789223 487622505 /nfs/dbraw/zinc/62/25/05/487622505.db2.gz UBHVFRBSQDUADF-STQMWFEESA-N 1 0 223.360 2.414 10 0 BEAERO CC[C@H]([NH3+])Cc1ccc(Br)o1 ZINC000036778860 171485824 /nfs/dbraw/zinc/48/58/24/171485824.db2.gz LDWGLGSBZVHJQA-LURJTMIESA-N 1 0 218.094 2.322 10 0 BEAERO CC[C@H]([NH3+])Cc1cnc(C(C)(C)C)nc1 ZINC000054858096 171486032 /nfs/dbraw/zinc/48/60/32/171486032.db2.gz TZWYNUBTMUHMTR-JTQLQIEISA-N 1 0 207.321 2.054 10 0 BEAERO CC[C@H]([NH3+])Cc1noc(-c2ccsc2)n1 ZINC000054184731 171486520 /nfs/dbraw/zinc/48/65/20/171486520.db2.gz HEHUJFZHZWFVCH-QMMMGPOBSA-N 1 0 223.301 2.078 10 0 BEAERO CC[C@H]([NH3+])Cc1noc(-c2cc(C)oc2C)n1 ZINC000054184655 171486538 /nfs/dbraw/zinc/48/65/38/171486538.db2.gz SBOMBRCCCJDTDE-VIFPVBQESA-N 1 0 235.287 2.226 10 0 BEAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)n1cccn1 ZINC000042973127 171487613 /nfs/dbraw/zinc/48/76/13/171487613.db2.gz IKXMSTZZFODUDO-QWHCGFSZSA-N 1 0 233.290 2.349 10 0 BEAERO CC[C@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359592 171490535 /nfs/dbraw/zinc/49/05/35/171490535.db2.gz DBRPZZQEQRKKEN-JTQLQIEISA-N 1 0 222.263 2.120 10 0 BEAERO CC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000019967991 171490706 /nfs/dbraw/zinc/49/07/06/171490706.db2.gz VRVWCZCOCYUYGR-JTQLQIEISA-N 1 0 207.273 2.258 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1CCC[C@H](C[NH3+])C1)C(C)C ZINC000055162397 171505422 /nfs/dbraw/zinc/50/54/22/171505422.db2.gz BGMSGELIARPNPE-XQQFMLRXSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@H](O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000038635448 171553556 /nfs/dbraw/zinc/55/35/56/171553556.db2.gz MULCGBCHXCTWSK-ZDUSSCGKSA-N 1 0 219.328 2.079 10 0 BEAERO CC[C@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000022120880 171597157 /nfs/dbraw/zinc/59/71/57/171597157.db2.gz KZHQXCRVXYAZRQ-CYBMUJFWSA-N 1 0 222.307 2.182 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000124869879 171605293 /nfs/dbraw/zinc/60/52/93/171605293.db2.gz XZKKSKWOBXEQHN-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCCNC1=O ZINC000042579657 171612489 /nfs/dbraw/zinc/61/24/89/171612489.db2.gz XVIGKZUYJCUGQL-YNEHKIRRSA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@H]1CCC[C@H]1[NH2+]CCn1cc(C)cn1 ZINC000127258531 171628564 /nfs/dbraw/zinc/62/85/64/171628564.db2.gz CCWYQQQFJCUFHB-QWHCGFSZSA-N 1 0 221.348 2.360 10 0 BEAERO CC[C@H](C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662628278 412248967 /nfs/dbraw/zinc/24/89/67/412248967.db2.gz XDHOCFLVBIQOQT-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(CC)Cc1ccc(C)cc1 ZINC000662862402 412328706 /nfs/dbraw/zinc/32/87/06/412328706.db2.gz NIIVEHWLRKNUNK-AWEZNQCLSA-N 1 0 248.370 2.471 10 0 BEAERO CC[C@]([NH2+]CC(C)C)(C(N)=O)c1ccccc1 ZINC000037951909 171709350 /nfs/dbraw/zinc/70/93/50/171709350.db2.gz USPLDRRJJFHATI-CQSZACIVSA-N 1 0 234.343 2.023 10 0 BEAERO CC[C@]([NH3+])(c1noc(C2CC2)n1)C(C)C ZINC000037755138 171709447 /nfs/dbraw/zinc/70/94/47/171709447.db2.gz IZSPFEKCIWTFLR-LLVKDONJSA-N 1 0 209.293 2.167 10 0 BEAERO CC[C@]1(C(=O)N(C)[C@@H](C)C(C)C)CCC[NH2+]C1 ZINC000062854012 171709990 /nfs/dbraw/zinc/70/99/90/171709990.db2.gz BEGWMRFKHZRPJQ-JSGCOSHPSA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@](O)(C[NH2+]C)c1ccc(Cl)cc1 ZINC000032012882 171710623 /nfs/dbraw/zinc/71/06/23/171710623.db2.gz MPIUTIHMDRQUQL-NSHDSACASA-N 1 0 213.708 2.157 10 0 BEAERO CCc1c(C)nn([C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000040731770 171741189 /nfs/dbraw/zinc/74/11/89/171741189.db2.gz SXJDHCILMAJXRE-WCQYABFASA-N 1 0 221.348 2.362 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000132966456 412378877 /nfs/dbraw/zinc/37/88/77/412378877.db2.gz ADUBLDLMWJLIQV-LBPRGKRZSA-N 1 0 226.364 2.056 10 0 BEAERO CCc1cc(N[C@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000307776923 171769491 /nfs/dbraw/zinc/76/94/91/171769491.db2.gz HWBWLFXNEROLAH-QWHCGFSZSA-N 1 0 220.316 2.359 10 0 BEAERO Cc1cnccc1-c1nc2c(s1)C[NH2+]CC2 ZINC000133041589 412392019 /nfs/dbraw/zinc/39/20/19/412392019.db2.gz WVSGQKJZHFBOOP-UHFFFAOYSA-N 1 0 231.324 2.159 10 0 BEAERO CCc1ccc(-c2nc(C[NH3+])co2)cc1 ZINC000082531634 171779712 /nfs/dbraw/zinc/77/97/12/171779712.db2.gz TXPDOQBZJSDQNM-UHFFFAOYSA-N 1 0 202.257 2.363 10 0 BEAERO CCc1ccc(C(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000019475125 171788098 /nfs/dbraw/zinc/78/80/98/171788098.db2.gz JVJJUNMDDLRTES-VIFPVBQESA-N 1 0 223.341 2.493 10 0 BEAERO CCCc1nccnc1NCCC[NH2+]C(C)C ZINC000663270837 412403487 /nfs/dbraw/zinc/40/34/87/412403487.db2.gz RRDNOKCUBHXBLX-UHFFFAOYSA-N 1 0 236.363 2.229 10 0 BEAERO CCCc1nccnc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000663270793 412403904 /nfs/dbraw/zinc/40/39/04/412403904.db2.gz QDVIOCSYKYDZNG-NWDGAFQWSA-N 1 0 248.374 2.229 10 0 BEAERO CCc1ccc(C[C@@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000041261344 171814532 /nfs/dbraw/zinc/81/45/32/171814532.db2.gz SVOORRFUZWTWCL-LSDHHAIUSA-N 1 0 233.355 2.152 10 0 BEAERO CCc1ccc([C@@](C)(O)[C@H]2CCC[NH2+]C2)cc1 ZINC000071537195 171836731 /nfs/dbraw/zinc/83/67/31/171836731.db2.gz FJXBMJZNRUOUSO-LSDHHAIUSA-N 1 0 233.355 2.456 10 0 BEAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](C)C(N)=O)cc1 ZINC000038012730 171838433 /nfs/dbraw/zinc/83/84/33/171838433.db2.gz SGURTIXEKYFJIC-MNOVXSKESA-N 1 0 234.343 2.021 10 0 BEAERO CCc1nc([C@@H]([NH2+]C)[C@H]2CCOC2)sc1C ZINC000041060666 172004629 /nfs/dbraw/zinc/00/46/29/172004629.db2.gz UTAQTWBNQJUQTL-ONGXEEELSA-N 1 0 240.372 2.311 10 0 BEAERO CCc1nc2ccccc2n1[C@H](C)C[NH3+] ZINC000057798920 172013643 /nfs/dbraw/zinc/01/36/43/172013643.db2.gz OLYFLQOOYMJBHA-SECBINFHSA-N 1 0 203.289 2.118 10 0 BEAERO CCc1ncc2c(n1)CC(C)(C)C[C@@H]2[NH2+]C ZINC000050101090 172023615 /nfs/dbraw/zinc/02/36/15/172023615.db2.gz FGQYMUYFWQCFEI-JTQLQIEISA-N 1 0 219.332 2.272 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1cccs1 ZINC000043107464 172028822 /nfs/dbraw/zinc/02/88/22/172028822.db2.gz GVTVXXBWIKRIJT-VIFPVBQESA-N 1 0 221.329 2.055 10 0 BEAERO CCc1nccn1[C@@H](c1cccs1)[C@H](C)[NH3+] ZINC000043107479 172029681 /nfs/dbraw/zinc/02/96/81/172029681.db2.gz ZSBGBWXDDSALRC-JOYOIKCWSA-N 1 0 235.356 2.444 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1ccccc1C ZINC000043038033 172029770 /nfs/dbraw/zinc/02/97/70/172029770.db2.gz UTIMJICWXQOQJS-CYBMUJFWSA-N 1 0 229.327 2.302 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1ccc(C)s1 ZINC000043243733 172030070 /nfs/dbraw/zinc/03/00/70/172030070.db2.gz DOUHVXNHXWIIRL-SNVBAGLBSA-N 1 0 235.356 2.364 10 0 BEAERO CCn1c(C[C@H]2CCC[NH2+]2)nc2ccc(F)cc21 ZINC000052124613 172144218 /nfs/dbraw/zinc/14/42/18/172144218.db2.gz VESFUDDYECQISB-LLVKDONJSA-N 1 0 247.317 2.490 10 0 BEAERO CCn1c2ccc(F)cc2nc1C[C@H](C)[NH3+] ZINC000037439423 172144696 /nfs/dbraw/zinc/14/46/96/172144696.db2.gz GXGAZUNUPXLLFU-QMMMGPOBSA-N 1 0 221.279 2.085 10 0 BEAERO CCn1c(C[NH2+]C)nc2cccc(Cl)c21 ZINC000037443985 172145033 /nfs/dbraw/zinc/14/50/33/172145033.db2.gz ZCOOJCYCLAUZLW-UHFFFAOYSA-N 1 0 223.707 2.429 10 0 BEAERO CCn1c2ccc(C)cc2nc1C[C@@H](C)[NH3+] ZINC000037438058 172145248 /nfs/dbraw/zinc/14/52/48/172145248.db2.gz CWALMLPCELNYPV-SNVBAGLBSA-N 1 0 217.316 2.254 10 0 BEAERO CCn1c2ccc(F)cc2nc1C[C@@H](C)[NH3+] ZINC000037439422 172145358 /nfs/dbraw/zinc/14/53/58/172145358.db2.gz GXGAZUNUPXLLFU-MRVPVSSYSA-N 1 0 221.279 2.085 10 0 BEAERO CCn1c2ccccc2nc1NCCOC ZINC000005285555 172145958 /nfs/dbraw/zinc/14/59/58/172145958.db2.gz KNVPHSAHMJWEAE-UHFFFAOYSA-N 1 0 219.288 2.115 10 0 BEAERO CCn1cc(-c2ccc(C[NH3+])s2)cn1 ZINC000070601111 172149200 /nfs/dbraw/zinc/14/92/00/172149200.db2.gz AFMQLLODMMOYLS-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO CCn1cc(CC[NH3+])c2ccc(C)cc21 ZINC000068576866 172159276 /nfs/dbraw/zinc/15/92/76/172159276.db2.gz OTOBGRFISYURTR-UHFFFAOYSA-N 1 0 202.301 2.471 10 0 BEAERO CCn1cc(C[NH3+])c(-c2cccs2)n1 ZINC000082640490 172162210 /nfs/dbraw/zinc/16/22/10/172162210.db2.gz LCLWULSIQVCIEB-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO CCn1cc(C[C@@]2(C[NH2+]C)C[C@H]3CC[C@@H]2C3)cn1 ZINC000054638866 172176700 /nfs/dbraw/zinc/17/67/00/172176700.db2.gz RURVXSKWGMEMDC-NWANDNLSSA-N 1 0 247.386 2.471 10 0 BEAERO CCn1cc(C[C@H]([NH2+]C)c2cccc(C)n2)cn1 ZINC000104167271 172176712 /nfs/dbraw/zinc/17/67/12/172176712.db2.gz FHQOCXOFQVGGFH-AWEZNQCLSA-N 1 0 244.342 2.110 10 0 BEAERO CCn1cc(COc2ccc(C[NH2+]C)cc2)cn1 ZINC000050531129 172176961 /nfs/dbraw/zinc/17/69/61/172176961.db2.gz YPINGLMVIAYNOF-UHFFFAOYSA-N 1 0 245.326 2.201 10 0 BEAERO CCn1cc(C[C@H]([NH3+])Cc2ccccc2F)cn1 ZINC000050543105 172177342 /nfs/dbraw/zinc/17/73/42/172177342.db2.gz UJPWVHJNTMENNM-ZDUSSCGKSA-N 1 0 247.317 2.155 10 0 BEAERO CCn1cc(C[C@@H]([NH3+])CCc2ccccc2)cn1 ZINC000050543044 172177400 /nfs/dbraw/zinc/17/74/00/172177400.db2.gz CSHIUEMKQANXTQ-HNNXBMFYSA-N 1 0 243.354 2.406 10 0 BEAERO CCn1cc(C[C@H]([NH3+])C2CCCCC2)cn1 ZINC000050542511 172177486 /nfs/dbraw/zinc/17/74/86/172177486.db2.gz JVUCNZVVRFUSSD-ZDUSSCGKSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2ccccc2C)cn1 ZINC000043469266 172194182 /nfs/dbraw/zinc/19/41/82/172194182.db2.gz YIRZFQZPEVMYNS-CYBMUJFWSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2ccc(F)cc2)cn1 ZINC000043468925 172194623 /nfs/dbraw/zinc/19/46/23/172194623.db2.gz MPTBKTWDSNOJTL-LBPRGKRZSA-N 1 0 219.263 2.090 10 0 BEAERO CCn1cc([C@]2([NH3+])CCC[C@@H](C)C2)cn1 ZINC000043467634 172199026 /nfs/dbraw/zinc/19/90/26/172199026.db2.gz ZAZXCKVCILFMID-PWSUYJOCSA-N 1 0 207.321 2.267 10 0 BEAERO CCn1cccc1C[NH2+]Cc1c(C)nn(C)c1C ZINC000092325179 172207071 /nfs/dbraw/zinc/20/70/71/172207071.db2.gz OKUXHKOVBJWFCC-UHFFFAOYSA-N 1 0 246.358 2.148 10 0 BEAERO CCn1cccc1C[NH2+]CC1(N(C)C)CCCC1 ZINC000132077612 172207155 /nfs/dbraw/zinc/20/71/55/172207155.db2.gz URFYRYDQUDCWGL-UHFFFAOYSA-N 1 0 249.402 2.472 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000296676624 172208744 /nfs/dbraw/zinc/20/87/44/172208744.db2.gz GNZRJISEOYHOMA-AAEUAGOBSA-N 1 0 222.332 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000085608575 172209476 /nfs/dbraw/zinc/20/94/76/172209476.db2.gz SNQABDQTSKTGMB-AAEUAGOBSA-N 1 0 222.332 2.165 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCCSC1 ZINC000220681013 172209912 /nfs/dbraw/zinc/20/99/12/172209912.db2.gz OKMNJUKYYAUEJU-LLVKDONJSA-N 1 0 224.373 2.493 10 0 BEAERO CCn1ccnc1C[C@@H]([NH3+])c1ccccc1 ZINC000061881033 172225950 /nfs/dbraw/zinc/22/59/50/172225950.db2.gz YONHMCBIBIUZJZ-GFCCVEGCSA-N 1 0 215.300 2.146 10 0 BEAERO CCn1cc[nH+]c1NCc1cccc(N)c1 ZINC000052925973 172228435 /nfs/dbraw/zinc/22/84/35/172228435.db2.gz PGPLMUAETVMLEC-UHFFFAOYSA-N 1 0 216.288 2.097 10 0 BEAERO CCn1cnnc1C1CC[NH+](CC=C(C)C)CC1 ZINC000105929354 172233300 /nfs/dbraw/zinc/23/33/00/172233300.db2.gz SXBRFVFMASWMAL-UHFFFAOYSA-N 1 0 248.374 2.444 10 0 BEAERO CCn1nc(C)c(-c2csc(C[NH3+])n2)c1C ZINC000045167851 172242384 /nfs/dbraw/zinc/24/23/84/172242384.db2.gz FAUYVZNQCYUAFG-UHFFFAOYSA-N 1 0 236.344 2.102 10 0 BEAERO CN(C(=O)C1CCC(C[NH3+])CC1)C1CCCC1 ZINC000055146771 172298656 /nfs/dbraw/zinc/29/86/56/172298656.db2.gz BYLGPKDFJOFSQJ-UHFFFAOYSA-N 1 0 238.375 2.153 10 0 BEAERO CN(C(=O)CC1CCC([NH3+])CC1)C1CCCC1 ZINC000055126359 172301776 /nfs/dbraw/zinc/30/17/76/172301776.db2.gz UXWNXRTYTFIVBN-UHFFFAOYSA-N 1 0 238.375 2.295 10 0 BEAERO CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC000100088501 172325337 /nfs/dbraw/zinc/32/53/37/172325337.db2.gz IYBJCNYCFNJFKQ-AOOOYVTPSA-N 1 0 228.336 2.123 10 0 BEAERO CN(C(=O)[C@H]([NH3+])C(C)(C)C)C1CCCCC1 ZINC000077488041 172332063 /nfs/dbraw/zinc/33/20/63/172332063.db2.gz OGXXQRQHHKKAEG-NSHDSACASA-N 1 0 226.364 2.151 10 0 BEAERO CN(C(=O)c1ccco1)c1ccc(C[NH3+])cc1 ZINC000020224957 172344307 /nfs/dbraw/zinc/34/43/07/172344307.db2.gz FTXOMEVCNXAVEV-UHFFFAOYSA-N 1 0 230.267 2.015 10 0 BEAERO CN(C)C(=O)[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000067172037 172383749 /nfs/dbraw/zinc/38/37/49/172383749.db2.gz MUPYJCIMZRZAOL-LBPRGKRZSA-N 1 0 234.343 2.072 10 0 BEAERO CN(C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309928625 172395628 /nfs/dbraw/zinc/39/56/28/172395628.db2.gz WUSMWLNVMGGBIO-VXGBXAGGSA-N 1 0 230.371 2.445 10 0 BEAERO C[NH+](C)C[C@H]1CCCC[C@@]1(O)c1cccc(O)c1 ZINC000005958052 172493063 /nfs/dbraw/zinc/49/30/63/172493063.db2.gz UWJUQVWARXYRCG-UKRRQHHQSA-N 1 0 249.354 2.332 10 0 world BEAERO C[NH+](C)[C@@]1(CN)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000026480639 172532044 /nfs/dbraw/zinc/53/20/44/172532044.db2.gz OKNIPQFWDXHHBI-WCFLWFBJSA-N 1 0 210.365 2.092 10 0 BEAERO CN([C@H](C[NH3+])c1ccccn1)C1CCCCC1 ZINC000019263081 172598746 /nfs/dbraw/zinc/59/87/46/172598746.db2.gz FRROHQQZSDVGNK-CQSZACIVSA-N 1 0 233.359 2.346 10 0 BEAERO CN(CCC[NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000019906550 172708674 /nfs/dbraw/zinc/70/86/74/172708674.db2.gz DTOBHOXZVGLPPZ-AWEZNQCLSA-N 1 0 248.370 2.139 10 0 BEAERO CN(C[C@@H]1CC[NH2+]C1)c1nc2ccccc2s1 ZINC000095071264 172816573 /nfs/dbraw/zinc/81/65/73/172816573.db2.gz IBSMRRBDAHMHJO-SNVBAGLBSA-N 1 0 247.367 2.342 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1Cn1cnc2cc(N)ccc21 ZINC000052854190 173007110 /nfs/dbraw/zinc/00/71/10/173007110.db2.gz DDODHSRJCRPOIO-GFCCVEGCSA-N 1 0 244.342 2.103 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000017299063 173007188 /nfs/dbraw/zinc/00/71/88/173007188.db2.gz JGAYLCZXGQAXQC-OLZOCXBDSA-N 1 0 205.301 2.204 10 0 BEAERO CN1CCC[N@H+](C[C@H]2CCCC2(F)F)CC1 ZINC000336278496 173015975 /nfs/dbraw/zinc/01/59/75/173015975.db2.gz XNIFZCLEYZNYMY-LLVKDONJSA-N 1 0 232.318 2.059 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCO3)CC1 ZINC000076692657 173020671 /nfs/dbraw/zinc/02/06/71/173020671.db2.gz ZQKBECLUHBWARZ-LLVKDONJSA-N 1 0 248.326 2.312 10 0 BEAERO CN1CCC[C@@]([NH3+])(c2ccc(Cl)cc2)C1 ZINC000140048565 173036353 /nfs/dbraw/zinc/03/63/53/173036353.db2.gz LUXUBCASEKFBTQ-LBPRGKRZSA-N 1 0 224.735 2.220 10 0 BEAERO C[N@@H+]1CCC[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000028086708 173036858 /nfs/dbraw/zinc/03/68/58/173036858.db2.gz DJVDGVSUMTWLER-DGCLKSJQSA-N 1 0 217.312 2.201 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)CCO3)C1 ZINC000076679437 173046432 /nfs/dbraw/zinc/04/64/32/173046432.db2.gz OXYXIVCRXLSCPP-ZDUSSCGKSA-N 1 0 232.327 2.128 10 0 BEAERO CN(C)c1ccc(N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000076680482 173046721 /nfs/dbraw/zinc/04/67/21/173046721.db2.gz SDYUNAGOAVBPLA-ZDUSSCGKSA-N 1 0 233.359 2.259 10 0 BEAERO C[N@@H+]1CCC[C@H]1CNc1nc2ccccc2o1 ZINC000049099973 173055636 /nfs/dbraw/zinc/05/56/36/173055636.db2.gz UVUROJAOEYLTKS-JTQLQIEISA-N 1 0 231.299 2.334 10 0 BEAERO C[N@@H+]1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355775 173059695 /nfs/dbraw/zinc/05/96/95/173059695.db2.gz AXPBIJQATGCDGD-ZDUSSCGKSA-N 1 0 240.310 2.305 10 0 BEAERO C[N@@H+]1CC[C@H](CNc2ccc(Cl)cc2N)C1 ZINC000037484603 173147698 /nfs/dbraw/zinc/14/76/98/173147698.db2.gz UVAHBZXWQXSAHB-SECBINFHSA-N 1 0 239.750 2.286 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccc(F)cc2F)C1 ZINC000061984657 173155529 /nfs/dbraw/zinc/15/55/29/173155529.db2.gz WAACKVUESJHXJW-VIFPVBQESA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccccc2N2CCCC2)C1 ZINC000061985223 173155981 /nfs/dbraw/zinc/15/59/81/173155981.db2.gz OYPSDTJNEACHAE-ZDUSSCGKSA-N 1 0 245.370 2.403 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2cccc(F)c2F)C1 ZINC000061989383 173156750 /nfs/dbraw/zinc/15/67/50/173156750.db2.gz KHUKXSKTSMMBBE-QMMMGPOBSA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CCc2ccc(Br)cc2CC1 ZINC000077951523 173171294 /nfs/dbraw/zinc/17/12/94/173171294.db2.gz UJNFJLADDUQJLV-UHFFFAOYSA-N 1 0 240.144 2.480 10 0 BEAERO CN1[C@@H]2CCC[C@H]1CC([NH2+]C1CCC1)C2 ZINC000083846956 173205100 /nfs/dbraw/zinc/20/51/00/173205100.db2.gz KOCJQWZRCCCWFC-YHWZYXNKSA-N 1 0 208.349 2.144 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000042560813 173295241 /nfs/dbraw/zinc/29/52/41/173295241.db2.gz MIJSRSPAUUXYRA-NWDGAFQWSA-N 1 0 234.343 2.089 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000042560205 173295684 /nfs/dbraw/zinc/29/56/84/173295684.db2.gz CDGLHAFKJFIALR-RISCZKNCSA-N 1 0 246.354 2.178 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000042562179 173295836 /nfs/dbraw/zinc/29/58/36/173295836.db2.gz XXRYBDYNWUEOOT-CHWSQXEVSA-N 1 0 248.370 2.040 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000042560137 173295840 /nfs/dbraw/zinc/29/58/40/173295840.db2.gz LHABMNBCSCEZKT-WOPDTQHZSA-N 1 0 240.391 2.315 10 0 BEAERO CNC(=O)[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000234344700 173302736 /nfs/dbraw/zinc/30/27/36/173302736.db2.gz LIYXTHBEYKGFDY-GXTWGEPZSA-N 1 0 248.370 2.150 10 0 BEAERO CNC(=O)[C@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000042228750 173303794 /nfs/dbraw/zinc/30/37/94/173303794.db2.gz MGMLDYORYMEKOC-SMDDNHRTSA-N 1 0 246.354 2.170 10 0 BEAERO CNC(=O)[C@H](CCC[NH3+])c1ccc(C(C)C)cc1 ZINC000076634530 173304573 /nfs/dbraw/zinc/30/45/73/173304573.db2.gz GZZIPFRSJUZIIH-CQSZACIVSA-N 1 0 248.370 2.379 10 0 BEAERO CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000116877803 173307174 /nfs/dbraw/zinc/30/71/74/173307174.db2.gz TZFUDBATHCIKOB-TZMCWYRMSA-N 1 0 246.354 2.001 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000061300568 173317496 /nfs/dbraw/zinc/31/74/96/173317496.db2.gz BIRQCFHFXKBNEX-NWDGAFQWSA-N 1 0 238.375 2.166 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000061316668 173318386 /nfs/dbraw/zinc/31/83/86/173318386.db2.gz ZVDXRTVNTUQNNX-GFCCVEGCSA-N 1 0 248.370 2.479 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C)ccc1F ZINC000061300334 173318576 /nfs/dbraw/zinc/31/85/76/173318576.db2.gz NDMBAMMNIUPZSJ-UHFFFAOYSA-N 1 0 224.279 2.071 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000061316177 173318591 /nfs/dbraw/zinc/31/85/91/173318591.db2.gz VBMGDZQYCGKTJB-UHFFFAOYSA-N 1 0 244.697 2.416 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cccc(F)c1 ZINC000061318397 173318690 /nfs/dbraw/zinc/31/86/90/173318690.db2.gz HVVSZCCKDVMULX-VIFPVBQESA-N 1 0 238.306 2.001 10 0 BEAERO C[NH2+]C1(c2nc(C)cs2)CCSCC1 ZINC000041060567 173322311 /nfs/dbraw/zinc/32/23/11/173322311.db2.gz IWXFVXYKKYQHCF-UHFFFAOYSA-N 1 0 228.386 2.393 10 0 BEAERO C[NH2+]C1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000038076632 173322494 /nfs/dbraw/zinc/32/24/94/173322494.db2.gz ACWBFZCSNUBRHK-UHFFFAOYSA-N 1 0 232.371 2.487 10 0 BEAERO C[NH2+]C1CN([C@H]2CCCCc3ccccc32)C1 ZINC000169332919 173323667 /nfs/dbraw/zinc/32/36/67/173323667.db2.gz GJMVLBNPHMIQQG-HNNXBMFYSA-N 1 0 230.355 2.358 10 0 BEAERO C[NH2+]C1CCN(c2ccc(F)c(C)c2)CC1 ZINC000061118386 173323811 /nfs/dbraw/zinc/32/38/11/173323811.db2.gz MWNKWYIASJXUEP-UHFFFAOYSA-N 1 0 222.307 2.322 10 0 BEAERO C[NH2+]CC(=O)Nc1ccc(Cl)c2cccnc12 ZINC000037764593 173333711 /nfs/dbraw/zinc/33/37/11/173333711.db2.gz ITLOSFAVDVANRF-UHFFFAOYSA-N 1 0 249.701 2.046 10 0 BEAERO C[NH2+]CC(=O)c1ccc(OCC(C)C)cc1 ZINC000071523171 173335761 /nfs/dbraw/zinc/33/57/61/173335761.db2.gz YFEGHIXSKLPDIJ-UHFFFAOYSA-N 1 0 221.300 2.124 10 0 BEAERO C[NH2+]CC(=O)c1cccc(C(F)(F)F)c1 ZINC000082543285 173335820 /nfs/dbraw/zinc/33/58/20/173335820.db2.gz WZFWUXSCLDJBEB-UHFFFAOYSA-N 1 0 217.190 2.108 10 0 BEAERO C[NH2+]CC1(c2ccc(OC)cc2)CCC1 ZINC000053738495 173337487 /nfs/dbraw/zinc/33/74/87/173337487.db2.gz NDPLIROMZRUFSB-UHFFFAOYSA-N 1 0 205.301 2.336 10 0 BEAERO C[NH2+]CC1(Cc2cnn(C)c2)CCCCC1 ZINC000054654766 173337543 /nfs/dbraw/zinc/33/75/43/173337543.db2.gz BXZBIPCYMBGCAY-UHFFFAOYSA-N 1 0 221.348 2.133 10 0 BEAERO C[NH2+]CCCCc1cc(OC)ccc1OC ZINC000019788143 173346001 /nfs/dbraw/zinc/34/60/01/173346001.db2.gz FTVLFZBDUKGSKA-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO C[NH2+]CCCNC(=O)CCCc1ccc(C)cc1 ZINC000121590802 173346917 /nfs/dbraw/zinc/34/69/17/173346917.db2.gz CLTGEBKGOGTBHR-UHFFFAOYSA-N 1 0 248.370 2.043 10 0 BEAERO C[NH2+]CCCOCc1ccc2oc(C)nc2c1 ZINC000077369320 173349756 /nfs/dbraw/zinc/34/97/56/173349756.db2.gz UQROJWWNFIDGBD-UHFFFAOYSA-N 1 0 234.299 2.262 10 0 BEAERO C[NH2+]CCCc1c(C)cc(OC)cc1OC ZINC000077335922 173350535 /nfs/dbraw/zinc/35/05/35/173350535.db2.gz LSAPIXDDTBHXCV-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO C[NH2+]CCCc1ccc(OC)c(C)c1OC ZINC000071531313 173350818 /nfs/dbraw/zinc/35/08/18/173350818.db2.gz BMKBKZRAAZCRNR-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO C[NH2+]CCCc1nc(-c2cc(C)oc2C)c[nH]1 ZINC000037611651 173351052 /nfs/dbraw/zinc/35/10/52/173351052.db2.gz DMTKJCKTISVWLS-UHFFFAOYSA-N 1 0 233.315 2.439 10 0 BEAERO C[NH2+]CCOCc1cc(Cl)cc(C)c1OC ZINC000077395015 173356897 /nfs/dbraw/zinc/35/68/97/173356897.db2.gz XAFQGTCLCYABBN-UHFFFAOYSA-N 1 0 243.734 2.393 10 0 BEAERO C[NH2+]CC[C@H](C)N1CCc2ccccc21 ZINC000052420275 173358109 /nfs/dbraw/zinc/35/81/09/173358109.db2.gz YXJKDMUAYFXKSV-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO C[NH2+]CC[C@H](C)N1CCc2sccc2C1 ZINC000052382972 173358148 /nfs/dbraw/zinc/35/81/48/173358148.db2.gz IRUBLNOTGLEBQP-JTQLQIEISA-N 1 0 224.373 2.104 10 0 BEAERO C[NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075960 173358200 /nfs/dbraw/zinc/35/82/00/173358200.db2.gz UCAQXFPIQMJRAJ-NSHDSACASA-N 1 0 242.363 2.243 10 0 BEAERO C[NH2+]CC[C@H](C)Oc1ccc(C)cc1OC ZINC000041243142 173358250 /nfs/dbraw/zinc/35/82/50/173358250.db2.gz DIRGDTQQPANEPH-NSHDSACASA-N 1 0 223.316 2.380 10 0 BEAERO C[NH2+]CC[C@H](C)Cc1ccc(OC)cc1 ZINC000041216397 173358492 /nfs/dbraw/zinc/35/84/92/173358492.db2.gz CBNLZAGFDWFUFX-NSHDSACASA-N 1 0 207.317 2.483 10 0 BEAERO C[NH2+]CC[C@H](O)c1ccc(OC(C)C)c(F)c1 ZINC000071550660 173358941 /nfs/dbraw/zinc/35/89/41/173358941.db2.gz YVTBNTIDBLNEKN-LBPRGKRZSA-N 1 0 241.306 2.256 10 0 BEAERO C[NH2+]CCc1coc2ccc(OC)cc12 ZINC000082930023 173360528 /nfs/dbraw/zinc/36/05/28/173360528.db2.gz YRXLQXUNSKYLKY-UHFFFAOYSA-N 1 0 205.257 2.203 10 0 BEAERO C[NH2+]CCc1nc2cc(C)ccc2s1 ZINC000049844253 173360748 /nfs/dbraw/zinc/36/07/48/173360748.db2.gz LBQQTMACOCHRIE-UHFFFAOYSA-N 1 0 206.314 2.367 10 0 BEAERO C[NH2+]CCc1nc2ccc(OC)cc2s1 ZINC000083039522 173361138 /nfs/dbraw/zinc/36/11/38/173361138.db2.gz LUTCJEDMPUVHGB-UHFFFAOYSA-N 1 0 222.313 2.067 10 0 BEAERO C[NH2+]C[C@@H](C(C)C)N1CCC(C)(C)CC1 ZINC000061823305 173361552 /nfs/dbraw/zinc/36/15/52/173361552.db2.gz TWGCGUZVOHZIME-LBPRGKRZSA-N 1 0 212.381 2.352 10 0 BEAERO C[NH2+]CCc1sccc1Br ZINC000053301987 173361830 /nfs/dbraw/zinc/36/18/30/173361830.db2.gz MIXOEYDPLNEQHM-UHFFFAOYSA-N 1 0 220.135 2.273 10 0 BEAERO C[NH2+]C[C@@H](C(C)C)n1cc(Br)cn1 ZINC000052577654 173362357 /nfs/dbraw/zinc/36/23/57/173362357.db2.gz QXYAFFAAWGYHGK-VIFPVBQESA-N 1 0 246.152 2.062 10 0 BEAERO C[NH2+]C[C@@H](C(C)C)n1nc(C)c(C)c1C ZINC000052591872 173362567 /nfs/dbraw/zinc/36/25/67/173362567.db2.gz PRSOTUPHBHIGCB-LBPRGKRZSA-N 1 0 209.337 2.225 10 0 BEAERO C[NH2+]C[C@@H](C)c1cc(OC)c(OC)cc1OC ZINC000096889944 173364665 /nfs/dbraw/zinc/36/46/65/173364665.db2.gz YOOIIPJBBYGGDD-SECBINFHSA-N 1 0 239.315 2.035 10 0 BEAERO C[NH2+]C[C@@H](C)c1cc(OC)ccc1OC ZINC000006036581 173364794 /nfs/dbraw/zinc/36/47/94/173364794.db2.gz JXKNRUIQUHGQRM-SECBINFHSA-N 1 0 209.289 2.027 10 0 BEAERO C[NH2+]C[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000052373013 173364886 /nfs/dbraw/zinc/36/48/86/173364886.db2.gz GGARTMZBACEFPE-OCCSQVGLSA-N 1 0 218.344 2.084 10 0 BEAERO C[NH2+]C[C@@H](C)Sc1ncnc2ccccc21 ZINC000053623401 173364982 /nfs/dbraw/zinc/36/49/82/173364982.db2.gz YQCNHGUYJOMSLO-SECBINFHSA-N 1 0 233.340 2.330 10 0 BEAERO CNC[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517392 173365149 /nfs/dbraw/zinc/36/51/49/173365149.db2.gz HSGDXEFLJURHHE-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO C[NH2+]C[C@@H](O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000019864916 173365606 /nfs/dbraw/zinc/36/56/06/173365606.db2.gz OZJYVHZONQGEAZ-REWJHTLYSA-N 1 0 243.391 2.044 10 0 BEAERO C[NH2+]C[C@@H](Oc1cccc(N(C)C)c1)C(C)C ZINC000052703203 173366933 /nfs/dbraw/zinc/36/69/33/173366933.db2.gz NCWNGJLMOARTOD-CQSZACIVSA-N 1 0 236.359 2.375 10 0 BEAERO C[NH2+]C[C@@H](OC)c1ccc(OC(C)C)cc1 ZINC000071531199 173366985 /nfs/dbraw/zinc/36/69/85/173366985.db2.gz ONGBZJOIOAAKRB-CYBMUJFWSA-N 1 0 223.316 2.381 10 0 BEAERO C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)C(C)(C)C)C1 ZINC000111653147 173369424 /nfs/dbraw/zinc/36/94/24/173369424.db2.gz GGQGVUOQGXEJKM-RYUDHWBXSA-N 1 0 240.391 2.127 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(C)cc2)C1 ZINC000011892134 173370297 /nfs/dbraw/zinc/37/02/97/173370297.db2.gz JUARIVKPGCUSJM-LBPRGKRZSA-N 1 0 204.317 2.041 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cccc(F)c2F)C1 ZINC000053031510 173370563 /nfs/dbraw/zinc/37/05/63/173370563.db2.gz ZBCCTKHDOOVXGE-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(C)cc2F)C1 ZINC000053013074 173370950 /nfs/dbraw/zinc/37/09/50/173370950.db2.gz OFMIDAKXXFTBPW-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cc(F)ccc2C)C1 ZINC000053012828 173370971 /nfs/dbraw/zinc/37/09/71/173370971.db2.gz UOTPIYKENLVIGI-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@@]1(OC[C@@H]2CCCO2)CCC[C@@H](C)C1 ZINC000050504449 173373492 /nfs/dbraw/zinc/37/34/92/173373492.db2.gz COPBYACNDWGKCP-HZSPNIEDSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccc(OCC(C)C)cc1 ZINC000033466218 173373697 /nfs/dbraw/zinc/37/36/97/173373697.db2.gz DZEDNTQYULVWMY-CQSZACIVSA-N 1 0 237.343 2.148 10 0 BEAERO C[NH2+]C[C@H](C)OCc1ccc2ncccc2c1 ZINC000051841945 173376031 /nfs/dbraw/zinc/37/60/31/173376031.db2.gz QPHOFALVLMLACG-NSHDSACASA-N 1 0 230.311 2.359 10 0 BEAERO C[NH2+]C[C@H](C)c1c(C)nc(C2CC2)nc1C ZINC000054854656 173376154 /nfs/dbraw/zinc/37/61/54/173376154.db2.gz WXWXJUVBQOCGTH-QMMMGPOBSA-N 1 0 219.332 2.294 10 0 BEAERO C[NH2+]C[C@H](C)Oc1nc2ccccc2s1 ZINC000051867581 173376160 /nfs/dbraw/zinc/37/61/60/173376160.db2.gz HPRYPHFXJZKPAV-QMMMGPOBSA-N 1 0 222.313 2.283 10 0 BEAERO C[NH2+]C[C@H](Oc1cccc(N(C)C)c1)C(C)C ZINC000052703207 173378134 /nfs/dbraw/zinc/37/81/34/173378134.db2.gz NCWNGJLMOARTOD-AWEZNQCLSA-N 1 0 236.359 2.375 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1Cc1ccsc1 ZINC000042407901 173378164 /nfs/dbraw/zinc/37/81/64/173378164.db2.gz DLUSFRVNLXMRKL-GFCCVEGCSA-N 1 0 224.373 2.322 10 0 BEAERO C[NH2+]C[C@H](c1ccccc1)n1cc(C)cn1 ZINC000052577032 173378219 /nfs/dbraw/zinc/37/82/19/173378219.db2.gz PXCIFHQHDJJJRS-CYBMUJFWSA-N 1 0 215.300 2.000 10 0 BEAERO C[NH2+]C[C@H](OC1CCOCC1)c1cccc(C)c1 ZINC000050485883 173378262 /nfs/dbraw/zinc/37/82/62/173378262.db2.gz AYTDMLMJRFSINA-HNNXBMFYSA-N 1 0 249.354 2.451 10 0 BEAERO C[NH2+]C[C@H]1CCCN([C@H](C)c2ccco2)C1 ZINC000040592768 173378891 /nfs/dbraw/zinc/37/88/91/173378891.db2.gz AQXKHBVIZOEKEC-VXGBXAGGSA-N 1 0 222.332 2.272 10 0 BEAERO C[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)C(C)(C)C)C1 ZINC000111653141 173380663 /nfs/dbraw/zinc/38/06/63/173380663.db2.gz GGQGVUOQGXEJKM-NWDGAFQWSA-N 1 0 240.391 2.127 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cccc(F)c2C)C1 ZINC000053033374 173381808 /nfs/dbraw/zinc/38/18/08/173381808.db2.gz JILOSCCBDXYDGY-LLVKDONJSA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1ccc2c(c1)OCCCO2 ZINC000054589508 173382421 /nfs/dbraw/zinc/38/24/21/173382421.db2.gz OFHVHMDYUPIIFD-DOMZBBRYSA-N 1 0 247.338 2.345 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1c(F)cccc1F ZINC000054589238 173382825 /nfs/dbraw/zinc/38/28/25/173382825.db2.gz WLROTXGEWMOEQL-PRHODGIISA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1ccc(F)c(F)c1 ZINC000054589524 173382914 /nfs/dbraw/zinc/38/29/14/173382914.db2.gz QWENKPVCPFLGHD-SKDRFNHKSA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1c(F)cccc1F ZINC000054589236 173383308 /nfs/dbraw/zinc/38/33/08/173383308.db2.gz WLROTXGEWMOEQL-PELKAZGASA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccc(CC(C)C)cc1 ZINC000036160695 173383372 /nfs/dbraw/zinc/38/33/72/173383372.db2.gz WKJJZRAVVSEABX-AWEZNQCLSA-N 1 0 221.344 2.312 10 0 BEAERO C[NH2+]C[C@](C)(O)Cc1ccc(C(C)C)cc1 ZINC000019684529 173383463 /nfs/dbraw/zinc/38/34/63/173383463.db2.gz QNJIYYADVWQMSR-CQSZACIVSA-N 1 0 221.344 2.323 10 0 BEAERO C[NH2+]C[C@]1(Cc2cccc(C)c2)CCOC1 ZINC000054663831 173384373 /nfs/dbraw/zinc/38/43/73/173384373.db2.gz OYAQDSSRIHJOMR-CQSZACIVSA-N 1 0 219.328 2.164 10 0 BEAERO C[NH2+]Cc1c(F)c(F)c(F)c(F)c1F ZINC000035151041 173384580 /nfs/dbraw/zinc/38/45/80/173384580.db2.gz DBYOITSSGOBYLB-UHFFFAOYSA-N 1 0 211.133 2.102 10 0 BEAERO C[NH2+]Cc1c(C)nn(CC(C)(C)C)c1C ZINC000073711535 173384729 /nfs/dbraw/zinc/38/47/29/173384729.db2.gz WMPCFRCQKDFXGE-UHFFFAOYSA-N 1 0 209.337 2.265 10 0 BEAERO C[NH2+]Cc1c(C)nn([C@@H](C)C2CC2)c1C ZINC000040932683 173384833 /nfs/dbraw/zinc/38/48/33/173384833.db2.gz SYFDZHADQPJBOB-VIFPVBQESA-N 1 0 207.321 2.190 10 0 BEAERO C[NH2+]Cc1c(C)nn([C@H](C)C2CC2)c1C ZINC000040932684 173385266 /nfs/dbraw/zinc/38/52/66/173385266.db2.gz SYFDZHADQPJBOB-SECBINFHSA-N 1 0 207.321 2.190 10 0 BEAERO C[NH2+]Cc1c(C)nn(CC2CCCC2)c1C ZINC000042375130 173385365 /nfs/dbraw/zinc/38/53/65/173385365.db2.gz PBOUFKKBVMXYSX-UHFFFAOYSA-N 1 0 221.348 2.410 10 0 BEAERO C[NH2+]Cc1cc(C)ccc1OCc1nccn1C ZINC000071403561 173386053 /nfs/dbraw/zinc/38/60/53/173386053.db2.gz MIYOEBYCHREFEA-UHFFFAOYSA-N 1 0 245.326 2.027 10 0 BEAERO C[NH2+]Cc1cc(C)c(OCCCOC)c(C)c1 ZINC000037753411 173386064 /nfs/dbraw/zinc/38/60/64/173386064.db2.gz WPAUWLOUXSQHHS-UHFFFAOYSA-N 1 0 237.343 2.438 10 0 BEAERO C[NH2+]Cc1cc(-c2cncnc2)ccc1F ZINC000052886631 173386094 /nfs/dbraw/zinc/38/60/94/173386094.db2.gz ZHTOYDIZUWMDJY-UHFFFAOYSA-N 1 0 217.247 2.002 10 0 BEAERO C[NH2+]Cc1cc2occc2c(OCCOC)c1 ZINC000073739448 173387504 /nfs/dbraw/zinc/38/75/04/173387504.db2.gz KTKBYXQCCXYGKQ-UHFFFAOYSA-N 1 0 235.283 2.177 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1N(C)[C@@H](C)COC ZINC000042519075 173387637 /nfs/dbraw/zinc/38/76/37/173387637.db2.gz WUFUCWVKCIVFBA-JTQLQIEISA-N 1 0 240.322 2.016 10 0 BEAERO C[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000082491248 173389023 /nfs/dbraw/zinc/38/90/23/173389023.db2.gz LPBAWHXDFADMAI-UHFFFAOYSA-N 1 0 215.680 2.077 10 0 BEAERO C[NH2+]Cc1ccccc1N1CCC[C@H]1C ZINC000037911772 173390258 /nfs/dbraw/zinc/39/02/58/173390258.db2.gz FICDAFRIBUTEHV-LLVKDONJSA-N 1 0 204.317 2.395 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)C(C)(C)C ZINC000036280751 173390758 /nfs/dbraw/zinc/39/07/58/173390758.db2.gz HGUGOYWHJKBMJV-UHFFFAOYSA-N 1 0 220.316 2.391 10 0 BEAERO C[NH2+]Cc1ccnc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000054791159 173391073 /nfs/dbraw/zinc/39/10/73/173391073.db2.gz ACFJDPRJKJCXQH-GHMZBOCLSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1cn2cc(Cl)cc(C)c2n1 ZINC000076793147 173391559 /nfs/dbraw/zinc/39/15/59/173391559.db2.gz LHDHWVZHYHUDMI-UHFFFAOYSA-N 1 0 209.680 2.016 10 0 BEAERO C[NH2+]Cc1ccnc(N2Cc3ccccc3C2)c1 ZINC000051398553 173391622 /nfs/dbraw/zinc/39/16/22/173391622.db2.gz PBCZHOZXUNOCCS-UHFFFAOYSA-N 1 0 239.322 2.321 10 0 BEAERO C[NH2+]Cc1cnc(N2CC[C@@H](C)C2)c(Cl)c1 ZINC000051448469 173392106 /nfs/dbraw/zinc/39/21/06/173392106.db2.gz ONGFJAGUXSZCOW-SECBINFHSA-N 1 0 239.750 2.301 10 0 BEAERO C[NH2+]Cc1cnc(Cc2nc(C)cs2)s1 ZINC000055269613 173392322 /nfs/dbraw/zinc/39/23/22/173392322.db2.gz PVQSFHRLLJTIEK-UHFFFAOYSA-N 1 0 239.369 2.218 10 0 BEAERO C[NH2+]Cc1cnc(N2CCC[C@@H](C)[C@H]2C)s1 ZINC000054905204 173392407 /nfs/dbraw/zinc/39/24/07/173392407.db2.gz JJSPFEMPNXHABS-NXEZZACHSA-N 1 0 239.388 2.487 10 0 BEAERO C[NH2+]Cc1csc(-c2c(C)nn(C)c2C)c1 ZINC000042366229 173393930 /nfs/dbraw/zinc/39/39/30/173393930.db2.gz STIXWORYVAJTSZ-UHFFFAOYSA-N 1 0 235.356 2.485 10 0 BEAERO C[NH2+]Cc1cnn(CC2CCCCC2)c1 ZINC000054719161 173394074 /nfs/dbraw/zinc/39/40/74/173394074.db2.gz DLIVGABOXZZOBD-UHFFFAOYSA-N 1 0 207.321 2.183 10 0 BEAERO C[NH2+]Cc1nc2c(cccc2F)n1C(C)C ZINC000037442878 173395976 /nfs/dbraw/zinc/39/59/76/173395976.db2.gz SOOSNJHARCLCDS-UHFFFAOYSA-N 1 0 221.279 2.476 10 0 BEAERO C[NH2+]Cc1nnc(-c2cc(Cl)ccc2F)o1 ZINC000050615332 173397414 /nfs/dbraw/zinc/39/74/14/173397414.db2.gz QXUJXBGHYRVALP-UHFFFAOYSA-N 1 0 241.653 2.249 10 0 BEAERO C[NH2+]Cc1nc(-c2cc(C)ccc2C)c[nH]1 ZINC000036877295 173397445 /nfs/dbraw/zinc/39/74/45/173397445.db2.gz HPYAIUPQMWQAGP-UHFFFAOYSA-N 1 0 215.300 2.413 10 0 BEAERO C[NH2+][C@H](C)Cn1cc(-c2ccccc2)cn1 ZINC000054961135 173447913 /nfs/dbraw/zinc/44/79/13/173447913.db2.gz FXKAFVNTGJPBAJ-LLVKDONJSA-N 1 0 215.300 2.158 10 0 BEAERO C[NH2+][C@H](C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000035634991 173449310 /nfs/dbraw/zinc/44/93/10/173449310.db2.gz LRTGEERPKQUGMM-MFKMUULPSA-N 1 0 248.326 2.085 10 0 BEAERO C[NH2+][C@H](C)c1nnc(-c2ccccc2C)o1 ZINC000050618254 173450885 /nfs/dbraw/zinc/45/08/85/173450885.db2.gz OQGJYXQWTJBIOM-SECBINFHSA-N 1 0 217.272 2.325 10 0 BEAERO C[NH2+][C@H](C)c1nnc(-c2sccc2C)o1 ZINC000050618370 173450903 /nfs/dbraw/zinc/45/09/03/173450903.db2.gz UCYKUFHPWUKNMN-SSDOTTSWSA-N 1 0 223.301 2.387 10 0 BEAERO C[NH2+][C@H](C)c1sc(N(C)C2CC2)nc1C ZINC000054902331 173451266 /nfs/dbraw/zinc/45/12/66/173451266.db2.gz CHZLAXTXFYDLNJ-SSDOTTSWSA-N 1 0 225.361 2.331 10 0 BEAERO C[NH2+][C@H](c1cnccn1)c1ccccc1C ZINC000037469116 173458960 /nfs/dbraw/zinc/45/89/60/173458960.db2.gz SQIDIOZGNVLSMZ-ZDUSSCGKSA-N 1 0 213.284 2.094 10 0 BEAERO C[NH2+][C@H]1CCCCCC[C@H]1n1cccn1 ZINC000043989635 173459424 /nfs/dbraw/zinc/45/94/24/173459424.db2.gz BOPFTLKHMABYIV-NWDGAFQWSA-N 1 0 207.321 2.366 10 0 BEAERO C[NH2+][C@H]1c2ccccc2CCC[C@H]1OC ZINC000044043810 173469021 /nfs/dbraw/zinc/46/90/21/173469021.db2.gz CKWYZWBLORAQAZ-OLZOCXBDSA-N 1 0 205.301 2.298 10 0 BEAERO COC(=O)CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000035038100 173563311 /nfs/dbraw/zinc/56/33/11/173563311.db2.gz PMPBOYLOCGPQMU-JHJVBQTASA-N 1 0 239.359 2.498 10 0 BEAERO COC(=O)C[C@H](C)C[C@H]([NH3+])c1ccc(F)cc1 ZINC000061829712 173632682 /nfs/dbraw/zinc/63/26/82/173632682.db2.gz VSRWKFXYZJTQAI-SKDRFNHKSA-N 1 0 239.290 2.415 10 0 BEAERO COC(CCC[NH3+])(OC)c1ccc(C)cc1 ZINC000098124829 173957711 /nfs/dbraw/zinc/95/77/11/173957711.db2.gz MNFMXFOZUNZPJE-UHFFFAOYSA-N 1 0 223.316 2.180 10 0 BEAERO COC1CC[NH+]([C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000037266055 174030226 /nfs/dbraw/zinc/03/02/26/174030226.db2.gz PTXWVEAOBUQVTJ-SWLSCSKDSA-N 1 0 248.370 2.186 10 0 BEAERO COC1CC[NH+]([C@@]2(CN)CCCC[C@@H]2C)CC1 ZINC000037265952 174031096 /nfs/dbraw/zinc/03/10/96/174031096.db2.gz XJSYQIDRUAJWIR-GXTWGEPZSA-N 1 0 240.391 2.005 10 0 BEAERO COC1CCN([C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000042901172 174031354 /nfs/dbraw/zinc/03/13/54/174031354.db2.gz FHQLPXSPCLINBR-WFASDCNBSA-N 1 0 248.370 2.186 10 0 BEAERO COC1CC[NH+]([C@H]2CNc3ccccc3C2)CC1 ZINC000037761118 174032000 /nfs/dbraw/zinc/03/20/00/174032000.db2.gz BEIIXMCNFSXFIY-CYBMUJFWSA-N 1 0 246.354 2.134 10 0 BEAERO COCC(C)(C)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341489142 174071797 /nfs/dbraw/zinc/07/17/97/174071797.db2.gz QXBJYJSFYBSGPS-VXGBXAGGSA-N 1 0 243.391 2.452 10 0 BEAERO COCCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000117883812 174190289 /nfs/dbraw/zinc/19/02/89/174190289.db2.gz AVDKMNNTQPMZRL-CYBMUJFWSA-N 1 0 237.347 2.363 10 0 BEAERO COCCCC[NH2+][C@@H](C)CC(C)(C)OC ZINC000044656763 174202178 /nfs/dbraw/zinc/20/21/78/174202178.db2.gz KAOYPGLGHDVEPR-NSHDSACASA-N 1 0 217.353 2.206 10 0 BEAERO COCCCN(C)[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000062029286 174220358 /nfs/dbraw/zinc/22/03/58/174220358.db2.gz GUATVCWFYCWGFW-GXTWGEPZSA-N 1 0 236.359 2.043 10 0 BEAERO COCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124891727 174228763 /nfs/dbraw/zinc/22/87/63/174228763.db2.gz IDMFUOLIBLKDNT-MJBXVCDLSA-N 1 0 241.375 2.038 10 0 BEAERO COCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116293631 174230592 /nfs/dbraw/zinc/23/05/92/174230592.db2.gz JHRGEYUEFAGEJO-NSHDSACASA-N 1 0 209.289 2.453 10 0 BEAERO COCCC[NH2+]CCOc1cc(C)cc(C)c1 ZINC000041278913 174246733 /nfs/dbraw/zinc/24/67/33/174246733.db2.gz FKMGPVYMRRQSER-UHFFFAOYSA-N 1 0 237.343 2.308 10 0 BEAERO COCCC[NH2+]CCCCOc1ccccc1 ZINC000041581908 174247498 /nfs/dbraw/zinc/24/74/98/174247498.db2.gz GGAOXMIGLSQHCB-UHFFFAOYSA-N 1 0 237.343 2.472 10 0 BEAERO COCCC[NH2+]CCOc1ccc(C)c(C)c1 ZINC000041278910 174247669 /nfs/dbraw/zinc/24/76/69/174247669.db2.gz BUMOUVHAJKUEFG-UHFFFAOYSA-N 1 0 237.343 2.308 10 0 BEAERO COCCCOC[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000037747190 174254717 /nfs/dbraw/zinc/25/47/17/174254717.db2.gz NBLVKVVAKFEPGF-GFCCVEGCSA-N 1 0 249.310 2.486 10 0 BEAERO COCCCO[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043040352 174255915 /nfs/dbraw/zinc/25/59/15/174255915.db2.gz FPRMOQXSFATQJQ-JSGCOSHPSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000037747208 174257148 /nfs/dbraw/zinc/25/71/48/174257148.db2.gz UQBGBWCNBWCZCX-KBPBESRZSA-N 1 0 235.327 2.054 10 0 BEAERO COCCCOc1c(C[NH3+])cnc2ccccc21 ZINC000037746795 174257234 /nfs/dbraw/zinc/25/72/34/174257234.db2.gz WDIHDJCIANQPLA-UHFFFAOYSA-N 1 0 246.310 2.109 10 0 BEAERO COCCC[C@@]1([NH3+])CCc2ccccc21 ZINC000053754112 174262406 /nfs/dbraw/zinc/26/24/06/174262406.db2.gz WAVGQHWATYXCJH-CYBMUJFWSA-N 1 0 205.301 2.213 10 0 BEAERO COCCN([C@@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000042902224 174284531 /nfs/dbraw/zinc/28/45/31/174284531.db2.gz BSEQKBFUDFFABR-IUODEOHRSA-N 1 0 248.370 2.186 10 0 BEAERO COCCN([C@@H](C)C[NH2+]CCC(C)C)C1CC1 ZINC000053496533 174285622 /nfs/dbraw/zinc/28/56/22/174285622.db2.gz HJDJGCKPAMGSIF-ZDUSSCGKSA-N 1 0 242.407 2.121 10 0 BEAERO COCCN(CC[NH2+]C(C)(C)C)[C@@H](C)C1CC1 ZINC000044415411 174292569 /nfs/dbraw/zinc/29/25/69/174292569.db2.gz ZWSBGPPVUUKOFF-LBPRGKRZSA-N 1 0 242.407 2.121 10 0 BEAERO COCC[N@H+](C[C@H]1C[C@@H](C)CCC1=O)C1CC1 ZINC000053929357 174297248 /nfs/dbraw/zinc/29/72/48/174297248.db2.gz GSOHDHARTMVIFB-NWDGAFQWSA-N 1 0 239.359 2.103 10 0 BEAERO COCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076075356 174308706 /nfs/dbraw/zinc/30/87/06/174308706.db2.gz RQRPFITWNQVDNJ-GJZGRUSLSA-N 1 0 249.354 2.221 10 0 BEAERO COCC[NH2+]CCCc1cc(C)ccc1OC ZINC000060714943 174332510 /nfs/dbraw/zinc/33/25/10/174332510.db2.gz DLCGFOLIZBTVFI-UHFFFAOYSA-N 1 0 237.343 2.172 10 0 BEAERO COCC[NH2+]CCOc1cccc2ccccc21 ZINC000041296127 174333293 /nfs/dbraw/zinc/33/32/93/174333293.db2.gz SHASXAHTCHTVPY-UHFFFAOYSA-N 1 0 245.322 2.455 10 0 BEAERO COCC[NH2+]CCOc1ccc(F)cc1Cl ZINC000041300133 174333727 /nfs/dbraw/zinc/33/37/27/174333727.db2.gz RIHMMCSDSHRPHC-UHFFFAOYSA-N 1 0 247.697 2.094 10 0 BEAERO COCC[NH2+]Cc1cc(C)c(C)cc1OC ZINC000057516178 174334116 /nfs/dbraw/zinc/33/41/16/174334116.db2.gz ZJZPLTRCGAGQHP-UHFFFAOYSA-N 1 0 223.316 2.048 10 0 BEAERO COCC[NH2+]C[C@@]1(CCC(C)(C)C)CCOC1 ZINC000054666640 174334883 /nfs/dbraw/zinc/33/48/83/174334883.db2.gz BSULIVYXMRBZJJ-CQSZACIVSA-N 1 0 243.391 2.455 10 0 BEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc(F)cc1C ZINC000054598810 174335200 /nfs/dbraw/zinc/33/52/00/174335200.db2.gz TZMPOLFQVXQRFJ-RISCZKNCSA-N 1 0 237.318 2.474 10 0 BEAERO COCC[NH2+]Cc1cccc(C)c1Cl ZINC000083347665 174336309 /nfs/dbraw/zinc/33/63/09/174336309.db2.gz BDNHOKPWIALJPI-UHFFFAOYSA-N 1 0 213.708 2.384 10 0 BEAERO COCC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309947101 174383085 /nfs/dbraw/zinc/38/30/85/174383085.db2.gz DTPUEWKGZYRBOK-FVCCEPFGSA-N 1 0 229.364 2.205 10 0 BEAERO COCC[C@@H]([NH3+])c1cc(F)cc(F)c1 ZINC000060698536 174392829 /nfs/dbraw/zinc/39/28/29/174392829.db2.gz WDRYTQNPZWOMJL-SNVBAGLBSA-N 1 0 201.216 2.001 10 0 BEAERO COCC[C@@](C)([NH3+])c1cc(C)ccc1F ZINC000055198452 174399860 /nfs/dbraw/zinc/39/98/60/174399860.db2.gz BLMWZPLVUKECBI-GFCCVEGCSA-N 1 0 211.280 2.345 10 0 BEAERO COCC[C@H](C)[NH2+]CCc1ccsc1 ZINC000045038133 174406145 /nfs/dbraw/zinc/40/61/45/174406145.db2.gz WELBCLCLHBEXCG-JTQLQIEISA-N 1 0 213.346 2.305 10 0 BEAERO COCC[C@]1(C[NH3+])CCCc2ccccc21 ZINC000054637408 174420890 /nfs/dbraw/zinc/42/08/90/174420890.db2.gz AWKIZYNOTRNXCR-AWEZNQCLSA-N 1 0 219.328 2.256 10 0 BEAERO COC[C@H](CC(C)C)[NH2+]C1CC(F)(F)C1 ZINC000308963467 174560262 /nfs/dbraw/zinc/56/02/62/174560262.db2.gz SYVYMNYVNWHTML-VIFPVBQESA-N 1 0 221.291 2.435 10 0 BEAERO COc1cc(C)c(Cl)c(C)c1CC[NH3+] ZINC000036199663 174958595 /nfs/dbraw/zinc/95/85/95/174958595.db2.gz PIWNXNNPUJMYEN-UHFFFAOYSA-N 1 0 213.708 2.467 10 0 BEAERO COc1cc(Cl)ccc1OC1CC[NH2+]CC1 ZINC000098090985 174990831 /nfs/dbraw/zinc/99/08/31/174990831.db2.gz QGORDVCWTACESA-UHFFFAOYSA-N 1 0 241.718 2.479 10 0 BEAERO COc1cc(F)c([C@@H]([NH3+])[C@H]2CCCO2)c(F)c1 ZINC000037903345 174992659 /nfs/dbraw/zinc/99/26/59/174992659.db2.gz ZRMANBTWVYEGNT-PWSUYJOCSA-N 1 0 243.253 2.152 10 0 BEAERO COc1cc(F)c([C@@H]([NH3+])C(C)C)cc1OC ZINC000061868471 174992864 /nfs/dbraw/zinc/99/28/64/174992864.db2.gz QWZMCAKBFGSOMJ-LBPRGKRZSA-N 1 0 227.279 2.499 10 0 BEAERO COc1cc(OC)c2c(c1)[C@@H](C1CC1)[NH2+]CC2 ZINC000011599397 175008803 /nfs/dbraw/zinc/00/88/03/175008803.db2.gz BFLHSNHQEIEEBG-CQSZACIVSA-N 1 0 233.311 2.301 10 0 BEAERO COc1cc(OC)c2c(c1)[C@H]([NH3+])CCC2 ZINC000019727400 175009196 /nfs/dbraw/zinc/00/91/96/175009196.db2.gz OSSZAXSQRNLPJH-LLVKDONJSA-N 1 0 207.273 2.040 10 0 BEAERO COc1cc(OC)cc([C@@H]2CCC[NH2+]2)c1 ZINC000003732236 175011285 /nfs/dbraw/zinc/01/12/85/175011285.db2.gz SCIDTXFHJJWWTD-LBPRGKRZSA-N 1 0 207.273 2.128 10 0 BEAERO COc1cc(OC)cc([C@@H]2CCC[NH2+]C2)c1 ZINC000044135472 175011609 /nfs/dbraw/zinc/01/16/09/175011609.db2.gz WHDKWFSFTUSVPW-SNVBAGLBSA-N 1 0 221.300 2.171 10 0 BEAERO COc1cc(OC)cc([C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000051954190 175011624 /nfs/dbraw/zinc/01/16/24/175011624.db2.gz NDRZOUMFNFSYEU-NOZJJQNGSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cc([C@@H](C)[NH2+]C(C)C)ccc1O ZINC000019880804 175013472 /nfs/dbraw/zinc/01/34/72/175013472.db2.gz PUBALBZUOGQAKO-SECBINFHSA-N 1 0 209.289 2.460 10 0 BEAERO COc1cc([C@@H](C)[NH2+][C@@H](C)CCO)ccc1F ZINC000124023200 175014678 /nfs/dbraw/zinc/01/46/78/175014678.db2.gz IEBFSFQMOKVPMW-VHSXEESVSA-N 1 0 241.306 2.256 10 0 BEAERO COc1cc([C@H](C)[NH3+])cc(Cl)c1OC ZINC000037895596 175015236 /nfs/dbraw/zinc/01/52/36/175015236.db2.gz WPBZHCJLHYAOAN-LURJTMIESA-N 1 0 215.680 2.377 10 0 BEAERO COc1cc([C@H](C)[NH3+])c(OC)cc1Cl ZINC000071464442 175015438 /nfs/dbraw/zinc/01/54/38/175015438.db2.gz VXUYGGVSHCMLJM-LURJTMIESA-N 1 0 215.680 2.377 10 0 BEAERO COc1cc2[nH+]c(N)n(C(C)(C)C)c2cc1OC ZINC000075947312 175028490 /nfs/dbraw/zinc/02/84/90/175028490.db2.gz CHGLUNYADQGWOM-UHFFFAOYSA-N 1 0 249.314 2.391 10 0 BEAERO COc1ccc(-c2c[nH]c(C(C)(C)[NH3+])n2)cc1 ZINC000084512957 175029590 /nfs/dbraw/zinc/02/95/90/175029590.db2.gz SDCXTUBNZMRVIX-UHFFFAOYSA-N 1 0 231.299 2.279 10 0 BEAERO COc1ccc(-c2c(C)nn(C)c2C)cc1C[NH3+] ZINC000038073151 175030292 /nfs/dbraw/zinc/03/02/92/175030292.db2.gz QKANFAPFDZHEFL-UHFFFAOYSA-N 1 0 245.326 2.171 10 0 BEAERO COc1ccc(-c2nc([C@@H](C)[NH3+])c[nH]2)cc1OC ZINC000082517124 175039648 /nfs/dbraw/zinc/03/96/48/175039648.db2.gz OOGVBOPZICEFPB-MRVPVSSYSA-N 1 0 247.298 2.114 10 0 BEAERO COc1ccc(C)cc1CC1(C[NH3+])CC1 ZINC000071509513 175073626 /nfs/dbraw/zinc/07/36/26/175073626.db2.gz JSFBESXUSCPBSY-UHFFFAOYSA-N 1 0 205.301 2.285 10 0 BEAERO COc1ccc(C)cc1C(=O)[C@H]1CCC[NH2+]C1 ZINC000011630748 175073877 /nfs/dbraw/zinc/07/38/77/175073877.db2.gz QZXLKYUZQFBSBR-NSHDSACASA-N 1 0 233.311 2.186 10 0 BEAERO COc1ccc(C)cc1CC1(C[NH3+])CCOCC1 ZINC000061673965 175074141 /nfs/dbraw/zinc/07/41/41/175074141.db2.gz UAZLUQIGHLXJJE-UHFFFAOYSA-N 1 0 249.354 2.302 10 0 BEAERO COc1ccc(C)cc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019409860 175077659 /nfs/dbraw/zinc/07/76/59/175077659.db2.gz NMWQNOGBYGLKQY-NSHDSACASA-N 1 0 248.326 2.084 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)CC[NH2+]C1CC1 ZINC000049827553 175080485 /nfs/dbraw/zinc/08/04/85/175080485.db2.gz HPIVEUMAIDGGRQ-ZDUSSCGKSA-N 1 0 235.327 2.179 10 0 BEAERO COc1ccc(C)cc1[C@@]1(C)CC[NH2+]C1 ZINC000051955300 175080884 /nfs/dbraw/zinc/08/08/84/175080884.db2.gz AFAFHTUATCFRFV-ZDUSSCGKSA-N 1 0 205.301 2.255 10 0 BEAERO COc1ccc(C)cc1[C@@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000071569487 175080901 /nfs/dbraw/zinc/08/09/01/175080901.db2.gz UQVIAOAHPBMAIR-WFASDCNBSA-N 1 0 249.354 2.211 10 0 BEAERO COc1ccc(C)cc1[C@H](O)CC[NH2+]C1CC1 ZINC000049827552 175082369 /nfs/dbraw/zinc/08/23/69/175082369.db2.gz HPIVEUMAIDGGRQ-CYBMUJFWSA-N 1 0 235.327 2.179 10 0 BEAERO COc1ccc(CC[NH3+])c2ccsc21 ZINC000098099619 175090341 /nfs/dbraw/zinc/09/03/41/175090341.db2.gz IZTOPUHVKSQEBY-UHFFFAOYSA-N 1 0 207.298 2.411 10 0 BEAERO COc1ccc(CCNC2=[NH+]CCC2)cc1OC ZINC000095082197 175091716 /nfs/dbraw/zinc/09/17/16/175091716.db2.gz LQGCQYSIAHAHDW-UHFFFAOYSA-N 1 0 248.326 2.028 10 0 BEAERO COc1ccc(CC[C@@H](C)C[NH3+])cc1OC ZINC000011631475 175092457 /nfs/dbraw/zinc/09/24/57/175092457.db2.gz JJHYHIDNRBNGGD-SNVBAGLBSA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(CCSCC[NH3+])cc1C ZINC000057953023 175092912 /nfs/dbraw/zinc/09/29/12/175092912.db2.gz HRJMDNYWWHVCAE-UHFFFAOYSA-N 1 0 225.357 2.238 10 0 BEAERO COc1ccc(CC[C@H]2COC[C@H](C)[NH2+]2)cc1 ZINC000071545518 175093666 /nfs/dbraw/zinc/09/36/66/175093666.db2.gz CHLMCFVSTDKEHN-AAEUAGOBSA-N 1 0 235.327 2.005 10 0 BEAERO COc1ccc(CN(CC[NH3+])CC(C)C)cc1 ZINC000032090141 175096813 /nfs/dbraw/zinc/09/68/13/175096813.db2.gz BFWLBQRIWWLDEU-UHFFFAOYSA-N 1 0 236.359 2.112 10 0 BEAERO COc1ccc(C[NH3+])cc1OCc1cccnc1 ZINC000034957160 175097336 /nfs/dbraw/zinc/09/73/36/175097336.db2.gz WYUPQKNMZZNRFJ-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1ccc(C[NH2+]Cc2ccc[nH]2)cc1 ZINC000048408799 175108491 /nfs/dbraw/zinc/10/84/91/175108491.db2.gz HDCDTINRMNRREY-UHFFFAOYSA-N 1 0 216.284 2.313 10 0 BEAERO COc1ccc(C[C@@H](C)CC[NH3+])c(OC)c1 ZINC000041242759 175115115 /nfs/dbraw/zinc/11/51/15/175115115.db2.gz KVZHFFUPVBGMPP-JTQLQIEISA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(C[C@H](C)CC[NH3+])cc1OC ZINC000041242713 175116512 /nfs/dbraw/zinc/11/65/12/175116512.db2.gz SNCZPTZGMIASNY-SNVBAGLBSA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(C[C@H]([NH3+])C(C)C)cc1F ZINC000053818011 175116852 /nfs/dbraw/zinc/11/68/52/175116852.db2.gz IHFJNSZMMHNQEE-NSHDSACASA-N 1 0 211.280 2.360 10 0 BEAERO COc1ccc(C[C@H]([NH3+])C(C)C)c(OC)c1 ZINC000071424757 175117007 /nfs/dbraw/zinc/11/70/07/175117007.db2.gz PNFOVCYWNCCAOV-LBPRGKRZSA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc(C[C@H]([NH3+])c2cccn2C)cc1 ZINC000011848714 175117362 /nfs/dbraw/zinc/11/73/62/175117362.db2.gz WEKUWTFKJAGFTR-ZDUSSCGKSA-N 1 0 230.311 2.276 10 0 BEAERO COc1ccc(Cl)c2c1NCC[C@@H]2[NH3+] ZINC000082372186 175118874 /nfs/dbraw/zinc/11/88/74/175118874.db2.gz MMGMVAJEPJAXRO-ZETCQYMHSA-N 1 0 212.680 2.164 10 0 BEAERO COc1ccc(Cl)cc1CC1C[NH2+]C1 ZINC000049815061 175120510 /nfs/dbraw/zinc/12/05/10/175120510.db2.gz DUGQQPPFOJTSMF-UHFFFAOYSA-N 1 0 211.692 2.111 10 0 BEAERO COc1ccc(Cl)cc1COCCC[NH3+] ZINC000051865181 175120621 /nfs/dbraw/zinc/12/06/21/175120621.db2.gz ZAEBQLFOEDIFAV-UHFFFAOYSA-N 1 0 229.707 2.214 10 0 BEAERO COc1ccc(F)c(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000293421943 175125353 /nfs/dbraw/zinc/12/53/53/175125353.db2.gz AMSUYYRATSQAHD-PELKAZGASA-N 1 0 209.264 2.332 10 0 BEAERO COc1ccc(F)c(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000293421961 175125716 /nfs/dbraw/zinc/12/57/16/175125716.db2.gz AMSUYYRATSQAHD-QPUJVOFHSA-N 1 0 209.264 2.332 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccncc1 ZINC000034957092 175132532 /nfs/dbraw/zinc/13/25/32/175132532.db2.gz YPXZIDLWTLVHDR-ZDUSSCGKSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccc(F)cc1[C@H]1CC[C@H]([NH3+])C1 ZINC000077303194 175134021 /nfs/dbraw/zinc/13/40/21/175134021.db2.gz SHLAHWHQAJKNAX-WPRPVWTQSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc(N)cc1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000090548033 175138867 /nfs/dbraw/zinc/13/88/67/175138867.db2.gz HETDDJQJBIZRSJ-LLVKDONJSA-N 1 0 234.343 2.475 10 0 BEAERO COc1ccc(NC(=O)[C@](C)([NH3+])C2CC2)cc1C ZINC000049532031 175147234 /nfs/dbraw/zinc/14/72/34/175147234.db2.gz GMIVYXQJOWWEDR-CQSZACIVSA-N 1 0 248.326 2.070 10 0 BEAERO COc1ccc(NCC[NH+]2CCCC2)cc1 ZINC000041234300 175150899 /nfs/dbraw/zinc/15/08/99/175150899.db2.gz GFGVVYYKRUZMTB-UHFFFAOYSA-N 1 0 220.316 2.203 10 0 BEAERO COc1ccc(NCCCC[NH3+])cc1Cl ZINC000049821295 175151109 /nfs/dbraw/zinc/15/11/09/175151109.db2.gz UCRGEVOBXOUSJB-UHFFFAOYSA-N 1 0 228.723 2.499 10 0 BEAERO COc1ccc(N[C@H](C)[C@H]2CCC[N@H+](C)C2)cn1 ZINC000037208587 175154563 /nfs/dbraw/zinc/15/45/63/175154563.db2.gz RVNIBTWOIABYIG-NEPJUHHUSA-N 1 0 249.358 2.232 10 0 BEAERO COc1ccc(OC)c(/C=C/CCC[NH3+])c1 ZINC000071523107 175163700 /nfs/dbraw/zinc/16/37/00/175163700.db2.gz NCRPYOZTGKEALG-GQCTYLIASA-N 1 0 221.300 2.456 10 0 BEAERO COc1ccc(OC)c(C(=O)C2([NH3+])CCCC2)c1 ZINC000011630613 175164219 /nfs/dbraw/zinc/16/42/19/175164219.db2.gz CPFOEAKMHWLBRP-UHFFFAOYSA-N 1 0 249.310 2.158 10 0 BEAERO COc1ccc(OC)c(C(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000058327613 175164316 /nfs/dbraw/zinc/16/43/16/175164316.db2.gz MPVRDCUSGVJHQM-LBPRGKRZSA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(OC)c(C[C@H]2CCCC[NH2+]2)c1 ZINC000011630890 175166189 /nfs/dbraw/zinc/16/61/89/175166189.db2.gz KGZDFCMCBWGRTR-GFCCVEGCSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(OC)c([C@@H](C)[C@@H](C)C[NH3+])c1 ZINC000082362349 175166735 /nfs/dbraw/zinc/16/67/35/175166735.db2.gz AUAZKFMBOCMSFD-UWVGGRQHSA-N 1 0 223.316 2.402 10 0 BEAERO COc1ccc(OC)c([C@@H]2C[C@H](C)C[NH2+]2)c1 ZINC000003704337 175168319 /nfs/dbraw/zinc/16/83/19/175168319.db2.gz CQOHQUKEEZSHMY-CABZTGNLSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(OC)c([C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000051954177 175168392 /nfs/dbraw/zinc/16/83/92/175168392.db2.gz GJFVUUUZGGTNBN-MWLCHTKSSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc(OC)c([C@H]2CCC[C@@H]2[NH3+])c1 ZINC000055235021 175169067 /nfs/dbraw/zinc/16/90/67/175169067.db2.gz MBADPFHDANYCQP-PWSUYJOCSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(OC)c([C@H]2CSCC[NH2+]2)c1 ZINC000041282384 175169129 /nfs/dbraw/zinc/16/91/29/175169129.db2.gz TZOZVWPGVSQPDD-LLVKDONJSA-N 1 0 239.340 2.081 10 0 BEAERO COc1ccc(OC)c2c(N)cc(C)[nH+]c12 ZINC000040175633 175169448 /nfs/dbraw/zinc/16/94/48/175169448.db2.gz FBFKIUSYJDMUKP-UHFFFAOYSA-N 1 0 218.256 2.143 10 0 BEAERO COc1ccc(OC)c([C@H]2[NH2+]CC[C@@H]2C)c1 ZINC000003733908 175169878 /nfs/dbraw/zinc/16/98/78/175169878.db2.gz XGLJFGWSMCJVIW-ZANVPECISA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(OCCC[NH2+]C2CC2)cc1 ZINC000020361157 175172351 /nfs/dbraw/zinc/17/23/51/175172351.db2.gz MNWNGGGTXSSCAP-UHFFFAOYSA-N 1 0 221.300 2.216 10 0 BEAERO COc1ccc(Oc2cc(C(N)=[NH2+])ccn2)cc1 ZINC000019503918 175173959 /nfs/dbraw/zinc/17/39/59/175173959.db2.gz ATRYTUHSFZUERF-UHFFFAOYSA-N 1 0 243.266 2.167 10 0 BEAERO COc1ccc([C@@H](C[NH3+])N(C)C(C)C)cc1 ZINC000022219349 175178217 /nfs/dbraw/zinc/17/82/17/175178217.db2.gz MBUWDADBNXIAAV-CYBMUJFWSA-N 1 0 222.332 2.035 10 0 BEAERO COc1ccc([C@@H](C[NH3+])n2nc(C)cc2C)cc1 ZINC000042962268 175178352 /nfs/dbraw/zinc/17/83/52/175178352.db2.gz DAHIACQQMPYIBH-CQSZACIVSA-N 1 0 245.326 2.057 10 0 BEAERO COc1ccc([C@@H](C[NH3+])C(F)(F)F)cc1OC ZINC000082719115 175178594 /nfs/dbraw/zinc/17/85/94/175178594.db2.gz KBLIBWQKVAGTTE-MRVPVSSYSA-N 1 0 249.232 2.308 10 0 BEAERO COc1ccc([C@@H]([NH3+])C2CCOCC2)cc1 ZINC000061671352 175179406 /nfs/dbraw/zinc/17/94/06/175179406.db2.gz QGVQOCJNKXAXSG-CYBMUJFWSA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccc([C@@H](N)C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000036785168 175179915 /nfs/dbraw/zinc/17/99/15/175179915.db2.gz KMBSGCVNZXIZQT-NHYWBVRUSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2cccnc2)c(F)c1 ZINC000036766569 175180400 /nfs/dbraw/zinc/18/04/00/175180400.db2.gz DUZAYCPXYKCQAR-ZDUSSCGKSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccc([C@@H](O)C[NH2+]C(C)C)cc1C ZINC000049819408 175180780 /nfs/dbraw/zinc/18/07/80/175180780.db2.gz VXSDHCNKKHEZDI-LBPRGKRZSA-N 1 0 223.316 2.035 10 0 BEAERO COc1ccc([C@@H]2CC[C@H]([NH3+])C2)c(OC)c1 ZINC000057513879 175183346 /nfs/dbraw/zinc/18/33/46/175183346.db2.gz RNNHWAPUVXCBNI-ZJUUUORDSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@@H]2CC[C@@H]([NH3+])C2)cc1OC ZINC000057513863 175183433 /nfs/dbraw/zinc/18/34/33/175183433.db2.gz IRUBPYBJRQOCFG-MWLCHTKSSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@@H]2[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000003733554 175185289 /nfs/dbraw/zinc/18/52/89/175185289.db2.gz BORQHNYEIKZWJK-TVQRCGJNSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]2[NH3+])cc1OC(F)F ZINC000037381358 175185694 /nfs/dbraw/zinc/18/56/94/175185694.db2.gz OMMNCTPRPUKSEQ-YUMQZZPRSA-N 1 0 229.226 2.111 10 0 BEAERO COc1ccc([C@@H]2OCCC[NH2+][C@@H]2C)cc1 ZINC000035598753 175186356 /nfs/dbraw/zinc/18/63/56/175186356.db2.gz XUIXGBUFDWBHHY-ZWNOBZJWSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccc([C@H](C)O)cc1C[NH+]1CCCC1 ZINC000050682529 175190403 /nfs/dbraw/zinc/19/04/03/175190403.db2.gz JKZRAZAFIIHGQO-NSHDSACASA-N 1 0 235.327 2.344 10 0 BEAERO COc1ccc([C@H]([NH3+])COC(C)C)c(OC)c1 ZINC000019392947 175192255 /nfs/dbraw/zinc/19/22/55/175192255.db2.gz HUGBXZWNIKZIEB-GFCCVEGCSA-N 1 0 239.315 2.129 10 0 BEAERO COc1ccc([C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000032104767 175193170 /nfs/dbraw/zinc/19/31/70/175193170.db2.gz HVXYFBRURKRMCY-OAHLLOKOSA-N 1 0 249.354 2.461 10 0 BEAERO COc1ccc([C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000055231093 175194547 /nfs/dbraw/zinc/19/45/47/175194547.db2.gz XJBZHAPXQHQLRB-MNOVXSKESA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@H]2C[C@@H]2[NH3+])cc1OC(F)F ZINC000037381361 175198189 /nfs/dbraw/zinc/19/81/89/175198189.db2.gz OMMNCTPRPUKSEQ-SFYZADRCSA-N 1 0 229.226 2.111 10 0 BEAERO COc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC000071485296 175207080 /nfs/dbraw/zinc/20/70/80/175207080.db2.gz HSQWJEYARYKEPI-UHFFFAOYSA-N 1 0 217.312 2.263 10 0 BEAERO COc1ccc2c(c1)CC[C@@]1(CCC[NH2+]1)C2 ZINC000169315956 175209361 /nfs/dbraw/zinc/20/93/61/175209361.db2.gz WURMCWKJGZSFFQ-AWEZNQCLSA-N 1 0 217.312 2.306 10 0 BEAERO COc1ccc2c(c1)CC[C@@H](n1cccn1)[C@H]2[NH3+] ZINC000019270990 175210084 /nfs/dbraw/zinc/21/00/84/175210084.db2.gz COYSHJQTPLECRV-KGLIPLIRSA-N 1 0 243.310 2.079 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](C)CS2 ZINC000035755414 175214246 /nfs/dbraw/zinc/21/42/46/175214246.db2.gz NGGXCQUQFDAAHV-HQJQHLMTSA-N 1 0 209.314 2.437 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+]C(C)C)CO2 ZINC000035652800 175216176 /nfs/dbraw/zinc/21/61/76/175216176.db2.gz YQZVOJIUYPZCRL-LLVKDONJSA-N 1 0 207.273 2.127 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H]1C)CC2 ZINC000134245471 175216477 /nfs/dbraw/zinc/21/64/77/175216477.db2.gz PNIDSFKZXZKTEI-COLVAYQJSA-N 1 0 247.338 2.450 10 0 BEAERO COc1ccc2c(c1)[C@@]1(CC[NH2+]C1)CCC2 ZINC000027733683 175217117 /nfs/dbraw/zinc/21/71/17/175217117.db2.gz FSKSEYJBEAHKNH-CQSZACIVSA-N 1 0 217.312 2.263 10 0 BEAERO COc1ccc2c(c1)c(CC[C@H](C)[NH3+])cn2C ZINC000082604214 175218045 /nfs/dbraw/zinc/21/80/45/175218045.db2.gz NNTURJCUDBPHGP-JTQLQIEISA-N 1 0 232.327 2.467 10 0 BEAERO COc1ccc2c(c1OC)C(C)(C)C[NH2+]C2 ZINC000057513784 175222093 /nfs/dbraw/zinc/22/20/93/175222093.db2.gz GNFFZMHGGPTYOQ-UHFFFAOYSA-N 1 0 221.300 2.085 10 0 BEAERO COc1ccc2c(c1OC)[C@H](CC[NH3+])CC2 ZINC000036449137 175222549 /nfs/dbraw/zinc/22/25/49/175222549.db2.gz CKQOZENEXZNLPG-JTQLQIEISA-N 1 0 221.300 2.082 10 0 BEAERO COc1ccc2c(c1OC)[C@@H](CC[NH3+])CC2 ZINC000036449138 175222997 /nfs/dbraw/zinc/22/29/97/175222997.db2.gz CKQOZENEXZNLPG-SNVBAGLBSA-N 1 0 221.300 2.082 10 0 BEAERO COc1ccc2cc(CC[NH3+])sc2c1 ZINC000082941354 175224662 /nfs/dbraw/zinc/22/46/62/175224662.db2.gz FUJFDFYDDFYSFZ-UHFFFAOYSA-N 1 0 207.298 2.411 10 0 BEAERO COc1ccc2ccc(CC[NH3+])cc2c1 ZINC000039311991 175225351 /nfs/dbraw/zinc/22/53/51/175225351.db2.gz HRPIDIKGKAOVAC-UHFFFAOYSA-N 1 0 201.269 2.350 10 0 BEAERO COc1ccc2nc([C@@H](C)C[NH3+])sc2c1 ZINC000083039524 175229349 /nfs/dbraw/zinc/22/93/49/175229349.db2.gz PPUZBCZJILJXJN-ZETCQYMHSA-N 1 0 222.313 2.367 10 0 BEAERO COc1ccc2oc(C[NH2+]CCN(C)C)cc2c1 ZINC000073711157 175231261 /nfs/dbraw/zinc/23/12/61/175231261.db2.gz JYWDAQYWNPQZMJ-UHFFFAOYSA-N 1 0 248.326 2.093 10 0 BEAERO COc1ccc2oc([C@@H]3CCC[NH2+]3)nc2c1 ZINC000062526903 175231468 /nfs/dbraw/zinc/23/14/68/175231468.db2.gz IPZIGCCBKPYMOO-VIFPVBQESA-N 1 0 218.256 2.261 10 0 BEAERO COc1ccc2occ3c2c1[C@H](C[NH3+])CC3 ZINC000013525303 175232339 /nfs/dbraw/zinc/23/23/39/175232339.db2.gz JQWMJWBECNKMTK-QMMMGPOBSA-N 1 0 217.268 2.430 10 0 BEAERO COc1cccc(-n2ncc(C[NH3+])c2C(C)C)c1 ZINC000071559999 175239313 /nfs/dbraw/zinc/23/93/13/175239313.db2.gz DTALOWPBRGTBKI-UHFFFAOYSA-N 1 0 245.326 2.463 10 0 BEAERO COc1cccc(C(=O)C[NH2+]CC(C)C)c1 ZINC000049818349 175242807 /nfs/dbraw/zinc/24/28/07/175242807.db2.gz ISQDTLKJYZOLHW-UHFFFAOYSA-N 1 0 221.300 2.124 10 0 BEAERO COc1cccc(C(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000071522939 175247281 /nfs/dbraw/zinc/24/72/81/175247281.db2.gz IMSFYWQPQOKYPC-GFCCVEGCSA-N 1 0 221.300 2.251 10 0 BEAERO COc1cccc(CC[NH2+]C[C@@H]2CCCO2)c1 ZINC000037927466 175252598 /nfs/dbraw/zinc/25/25/98/175252598.db2.gz WDGOQPVUNIZRHZ-AWEZNQCLSA-N 1 0 235.327 2.006 10 0 BEAERO COc1cccc(C[N@@H+]2CCCC[C@@H](CO)C2)c1 ZINC000374034753 175256439 /nfs/dbraw/zinc/25/64/39/175256439.db2.gz AHJPSWPPPRWRBK-CQSZACIVSA-N 1 0 249.354 2.290 10 0 BEAERO COc1cccc(CN(CC[NH3+])CC(C)C)c1 ZINC000032090137 175256784 /nfs/dbraw/zinc/25/67/84/175256784.db2.gz NYZXBWFPCUNAOX-UHFFFAOYSA-N 1 0 236.359 2.112 10 0 BEAERO COc1cccc(COC2CCC([NH3+])CC2)c1 ZINC000055143096 175269797 /nfs/dbraw/zinc/26/97/97/175269797.db2.gz XDYLFAPPBWVMND-UHFFFAOYSA-N 1 0 235.327 2.482 10 0 BEAERO COc1cccc(C[C@@H]([NH3+])C2CCC2)c1 ZINC000038129462 175270459 /nfs/dbraw/zinc/27/04/59/175270459.db2.gz DAIPDBQFRGEVEX-CYBMUJFWSA-N 1 0 205.301 2.365 10 0 BEAERO COc1cccc(Cc2nc(C[NH3+])cs2)c1 ZINC000040999565 175272717 /nfs/dbraw/zinc/27/27/17/175272717.db2.gz OSYJYSRHFLFYHJ-UHFFFAOYSA-N 1 0 234.324 2.201 10 0 BEAERO COc1cccc(Cc2nnc([C@H](C)[NH3+])s2)c1 ZINC000088810781 175273110 /nfs/dbraw/zinc/27/31/10/175273110.db2.gz PFIPJRPXCHKNDZ-QMMMGPOBSA-N 1 0 249.339 2.157 10 0 BEAERO COc1cccc(Cn2cccc2C[NH3+])c1 ZINC000049453085 175273613 /nfs/dbraw/zinc/27/36/13/175273613.db2.gz ZDYRRYTZLNLJEW-UHFFFAOYSA-N 1 0 216.284 2.004 10 0 BEAERO COc1cccc(Nc2cc[nH+]cc2N)c1 ZINC000020585718 175281178 /nfs/dbraw/zinc/28/11/78/175281178.db2.gz OYDCIHJKETYBAW-UHFFFAOYSA-N 1 0 215.256 2.416 10 0 BEAERO COc1cccc(OC)c1C[NH2+][C@@H]1C[C@@H]1C ZINC000286721570 175281971 /nfs/dbraw/zinc/28/19/71/175281971.db2.gz XHNOHWXSXCKKSF-GXSJLCMTSA-N 1 0 221.300 2.202 10 0 BEAERO COc1cccc(OCCC(C)(C)C[NH3+])c1 ZINC000057714062 175283089 /nfs/dbraw/zinc/28/30/89/175283089.db2.gz URHAVYIKTMEPAV-UHFFFAOYSA-N 1 0 223.316 2.449 10 0 BEAERO COc1cccc(OCCC[C@@H](C)[NH3+])c1 ZINC000041218737 175283640 /nfs/dbraw/zinc/28/36/40/175283640.db2.gz KRVHQZCRSUTNRJ-SNVBAGLBSA-N 1 0 209.289 2.201 10 0 BEAERO COc1cccc(OC[C@H](C[NH3+])c2cc[nH]c2)c1 ZINC000076631370 175283898 /nfs/dbraw/zinc/28/38/98/175283898.db2.gz FHLHFNLWSYYCDI-LBPRGKRZSA-N 1 0 246.310 2.145 10 0 BEAERO COc1cccc(OC[C@H](C)CC[NH3+])c1 ZINC000076584709 175284467 /nfs/dbraw/zinc/28/44/67/175284467.db2.gz FGKPRQXHSMUZRC-SNVBAGLBSA-N 1 0 209.289 2.059 10 0 BEAERO COc1cccc(S[C@H]2CC[NH2+]C2)c1 ZINC000051783950 175285598 /nfs/dbraw/zinc/28/55/98/175285598.db2.gz DRNVZMWHXGIREV-NSHDSACASA-N 1 0 209.314 2.149 10 0 BEAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2O)c1 ZINC000148287168 175287991 /nfs/dbraw/zinc/28/79/91/175287991.db2.gz OHLIGCKXPKGNEA-HONMWMINSA-N 1 0 235.327 2.259 10 0 BEAERO COc1cccc([C@@H]([NH3+])Cc2cncs2)c1 ZINC000082341734 175288622 /nfs/dbraw/zinc/28/86/22/175288622.db2.gz HAWCMXVBWYHBCV-LBPRGKRZSA-N 1 0 234.324 2.394 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2cnccc2C)c1 ZINC000082350579 175288999 /nfs/dbraw/zinc/28/89/99/175288999.db2.gz RQSLOJUFIRQQQZ-CQSZACIVSA-N 1 0 228.295 2.447 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2cncc(F)c2)c1 ZINC000049576120 175289255 /nfs/dbraw/zinc/28/92/55/175289255.db2.gz CTBIZZXHXNBNJK-CYBMUJFWSA-N 1 0 232.258 2.277 10 0 BEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])n2cc(C)cn2)c1 ZINC000043028862 175289734 /nfs/dbraw/zinc/28/97/34/175289734.db2.gz YZZQIYSXKNHZKC-BXUZGUMPSA-N 1 0 245.326 2.137 10 0 BEAERO COc1cccc([C@@H](O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000071525196 175290093 /nfs/dbraw/zinc/29/00/93/175290093.db2.gz ZFVOVOWAFUQXIL-MFKMUULPSA-N 1 0 223.316 2.115 10 0 BEAERO COc1cccc([C@H]([NH3+])c2cc(C)ccn2)c1 ZINC000104427469 175294955 /nfs/dbraw/zinc/29/49/55/175294955.db2.gz YGMYIKVTYSEUNO-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1cccc([C@H]2C[NH2+][C@@H](C)C2)c1OC ZINC000070586781 175295894 /nfs/dbraw/zinc/29/58/94/175295894.db2.gz BWWSIXJYNHKROV-VHSXEESVSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cccc([C@H]2C[NH2+]C(C)(C)CO2)c1 ZINC000011803226 175296087 /nfs/dbraw/zinc/29/60/87/175296087.db2.gz FWXVHDIDKUFLFP-GFCCVEGCSA-N 1 0 221.300 2.135 10 0 BEAERO COc1cccc([C@H]2C[NH2+]CC(C)(C)O2)c1 ZINC000011803126 175296112 /nfs/dbraw/zinc/29/61/12/175296112.db2.gz XFCQTGUPFITXHG-GFCCVEGCSA-N 1 0 221.300 2.135 10 0 BEAERO COc1cccc([C@H]([C@@H](C)[NH3+])N(C)C2CC2)c1 ZINC000043026201 175296232 /nfs/dbraw/zinc/29/62/32/175296232.db2.gz NXTLNWWUAFRGCE-YGRLFVJLSA-N 1 0 234.343 2.178 10 0 BEAERO COc1cccc2[nH]cc(C[C@@H](C)[NH3+])c21 ZINC000020269443 175297547 /nfs/dbraw/zinc/29/75/47/175297547.db2.gz FNJAOTNWFNXQLI-MRVPVSSYSA-N 1 0 204.273 2.066 10 0 BEAERO COc1cccc2c([C@@H](C)C[NH3+])c[nH]c21 ZINC000082593121 175299968 /nfs/dbraw/zinc/29/99/68/175299968.db2.gz PHYJPJGOESIPCE-QMMMGPOBSA-N 1 0 204.273 2.239 10 0 BEAERO COc1cccc2c1C=C(C[C@H]1C[NH+]=CN1)CC2 ZINC000013862059 175301388 /nfs/dbraw/zinc/30/13/88/175301388.db2.gz OMVHNYLXKNAIID-ZDUSSCGKSA-N 1 0 242.322 2.415 10 0 BEAERO COc1cccc2c1CC[C@H]1[NH2+]CCC[C@@H]21 ZINC000034104309 175303040 /nfs/dbraw/zinc/30/30/40/175303040.db2.gz GHNVWCDFSUPLTC-WCQYABFASA-N 1 0 217.312 2.477 10 0 BEAERO COc1ccccc1-n1ncc([C@@H](C)[NH3+])c1C ZINC000062605858 175313323 /nfs/dbraw/zinc/31/33/23/175313323.db2.gz JRHXNKSPGPDSHC-SECBINFHSA-N 1 0 231.299 2.209 10 0 BEAERO COc1ccccc1C1(C[NH3+])CC(C)C1 ZINC000070068631 175320180 /nfs/dbraw/zinc/32/01/80/175320180.db2.gz YNABFUUTYLLMDJ-UHFFFAOYSA-N 1 0 205.301 2.322 10 0 BEAERO COc1ccccc1C(=O)[C@H]1CCCC[NH2+]1 ZINC000071521298 175320211 /nfs/dbraw/zinc/32/02/11/175320211.db2.gz DEFAGFSZPSHPKP-LLVKDONJSA-N 1 0 219.284 2.020 10 0 BEAERO COc1ccccc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000294930707 175327834 /nfs/dbraw/zinc/32/78/34/175327834.db2.gz GFJMSGGDEGSOQI-WCQYABFASA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccccc1CN1CC[NH2+]C[C@@H]1C(C)C ZINC000083379502 175328027 /nfs/dbraw/zinc/32/80/27/175328027.db2.gz HJOVPRDHZRWPDB-CQSZACIVSA-N 1 0 248.370 2.125 10 0 BEAERO COc1ccccc1C[C@H](C[NH3+])C(C)C ZINC000041216375 175333412 /nfs/dbraw/zinc/33/34/12/175333412.db2.gz LYAVLMPZWVVEGY-GFCCVEGCSA-N 1 0 207.317 2.469 10 0 BEAERO COc1ccccc1C[C@]1(C)C[C@@H]1C[NH3+] ZINC000054587813 175333446 /nfs/dbraw/zinc/33/34/46/175333446.db2.gz KEUOENRJGHUEOL-DGCLKSJQSA-N 1 0 205.301 2.223 10 0 BEAERO COc1ccccc1C[C@H]1CCC[C@H]1[NH3+] ZINC000043457494 175333463 /nfs/dbraw/zinc/33/34/63/175333463.db2.gz OVKNASVDCAGKLZ-ZYHUDNBSSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccccc1C[C@H]1CCC[N@@H+]1CCCO ZINC000058525621 175333829 /nfs/dbraw/zinc/33/38/29/175333829.db2.gz OEKDZBVTYZYXBC-CQSZACIVSA-N 1 0 249.354 2.085 10 0 BEAERO COc1ccccc1C[C@]1(C)C[C@H]1C[NH3+] ZINC000054587817 175333858 /nfs/dbraw/zinc/33/38/58/175333858.db2.gz KEUOENRJGHUEOL-WCQYABFASA-N 1 0 205.301 2.223 10 0 BEAERO COc1ccccc1N1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049663112 175336111 /nfs/dbraw/zinc/33/61/11/175336111.db2.gz KEFUODQTDYRPFG-STQMWFEESA-N 1 0 248.370 2.377 10 0 BEAERO COc1ccccc1OCC[C@H]1CCC[NH2+]1 ZINC000057514210 175341743 /nfs/dbraw/zinc/34/17/43/175341743.db2.gz IYZRQPUAYZINLL-LLVKDONJSA-N 1 0 221.300 2.216 10 0 BEAERO COc1ccccc1OCC[C@@H]1CCC[NH2+]1 ZINC000057514205 175341998 /nfs/dbraw/zinc/34/19/98/175341998.db2.gz IYZRQPUAYZINLL-NSHDSACASA-N 1 0 221.300 2.216 10 0 BEAERO COc1ccccc1OCC[C@H](C)C[NH3+] ZINC000041218717 175342045 /nfs/dbraw/zinc/34/20/45/175342045.db2.gz DMYGPOJGAOCHQY-JTQLQIEISA-N 1 0 209.289 2.059 10 0 BEAERO COc1ccccc1O[C@H]1CCCC[C@H]1[NH3+] ZINC000019282974 175342380 /nfs/dbraw/zinc/34/23/80/175342380.db2.gz SQFBVLYRYFOYKG-MNOVXSKESA-N 1 0 221.300 2.344 10 0 BEAERO COc1ccccc1O[C@H]1CCCC[C@@H]1[NH3+] ZINC000019282967 175342504 /nfs/dbraw/zinc/34/25/04/175342504.db2.gz SQFBVLYRYFOYKG-QWRGUYRKSA-N 1 0 221.300 2.344 10 0 BEAERO COc1ccccc1O[C@@H]1CCCC[C@@H]1[NH3+] ZINC000019282962 175342600 /nfs/dbraw/zinc/34/26/00/175342600.db2.gz SQFBVLYRYFOYKG-WDEREUQCSA-N 1 0 221.300 2.344 10 0 BEAERO COc1ccccc1Oc1ccc(C(N)=[NH2+])cn1 ZINC000019431226 175343016 /nfs/dbraw/zinc/34/30/16/175343016.db2.gz LFQRYPHJAFWIGP-UHFFFAOYSA-N 1 0 243.266 2.167 10 0 BEAERO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)C(C)C ZINC000130483439 175347677 /nfs/dbraw/zinc/34/76/77/175347677.db2.gz RIGCUDNJPXWCPK-AAEUAGOBSA-N 1 0 237.343 2.363 10 0 BEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C1CC1 ZINC000043097117 175349050 /nfs/dbraw/zinc/34/90/50/175349050.db2.gz ZNJWOMXYNQDUJL-IINYFYTJSA-N 1 0 234.343 2.178 10 0 BEAERO COc1ccccc1[C@@](O)(C[NH2+]C1CC1)C1CC1 ZINC000049835632 175349839 /nfs/dbraw/zinc/34/98/39/175349839.db2.gz SYVVNLKVQACBRX-OAHLLOKOSA-N 1 0 247.338 2.045 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1C[C@@H]1C ZINC000111765797 175353214 /nfs/dbraw/zinc/35/32/14/175353214.db2.gz LMCYWDHXBDCWLA-OBJOEFQTSA-N 1 0 248.370 2.283 10 0 BEAERO COc1ccccc1[C@H]([C@H](C)[NH3+])n1cc(C)cn1 ZINC000043098770 175354365 /nfs/dbraw/zinc/35/43/65/175354365.db2.gz DWEQTROJRABNKD-FZMZJTMJSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccccc1[C@](C)(O)C[NH2+]C(C)(C)C ZINC000033466201 175356662 /nfs/dbraw/zinc/35/66/62/175356662.db2.gz GGSUDIMXLZIBHP-CQSZACIVSA-N 1 0 237.343 2.291 10 0 BEAERO COc1cnc(C(C)C)nc1C[NH2+]CC(C)C ZINC000051523755 175381264 /nfs/dbraw/zinc/38/12/64/175381264.db2.gz AXFRBEQBJBPCKB-UHFFFAOYSA-N 1 0 237.347 2.354 10 0 BEAERO COc1cncc(C2=C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000012841343 175384683 /nfs/dbraw/zinc/38/46/83/175384683.db2.gz USVAHAACEDZWOK-OLZOCXBDSA-N 1 0 230.311 2.388 10 0 BEAERO COc1nc(C)c(C[NH2+]CC(C)C)s1 ZINC000045205488 175389014 /nfs/dbraw/zinc/38/90/14/175389014.db2.gz LGCPKUDXVOCLPS-UHFFFAOYSA-N 1 0 214.334 2.206 10 0 BEAERO COc1nc(C[NH3+])ccc1OCc1ccccc1 ZINC000216657590 175391881 /nfs/dbraw/zinc/39/18/81/175391881.db2.gz ILUTVGBBKSMFIV-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO C[C@@H](CC(=O)N1CC[NH2+]C(C)(C)C1)C(C)(C)C ZINC000148065650 175641295 /nfs/dbraw/zinc/64/12/95/175641295.db2.gz YHQWPFSSSICCJS-NSHDSACASA-N 1 0 240.391 2.269 10 0 BEAERO C[C@@H](C[NH3+])CCC(=O)Nc1ccc(F)cc1 ZINC000076611683 175705978 /nfs/dbraw/zinc/70/59/78/175705978.db2.gz VINQDLYINNQDQV-SECBINFHSA-N 1 0 224.279 2.139 10 0 BEAERO C[C@@H](C[NH3+])COc1cccc2cccnc21 ZINC000036679239 175708312 /nfs/dbraw/zinc/70/83/12/175708312.db2.gz SFZBEGJHXKCXKI-JTQLQIEISA-N 1 0 216.284 2.208 10 0 BEAERO C[C@@H](C[NH3+])N(C)c1cccc(Br)c1 ZINC000020260943 175709844 /nfs/dbraw/zinc/70/98/44/175709844.db2.gz WSROKVIMLOOEBR-QMMMGPOBSA-N 1 0 243.148 2.233 10 0 BEAERO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000083218365 175744578 /nfs/dbraw/zinc/74/45/78/175744578.db2.gz WIOTVJOXOPQTNT-RKDXNWHRSA-N 1 0 229.270 2.244 10 0 BEAERO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000038092975 175774717 /nfs/dbraw/zinc/77/47/17/175774717.db2.gz BRLVDXHWLAVELG-YUTCNCBUSA-N 1 0 237.343 2.494 10 0 BEAERO C[C@@H]([NH3+])CO[C@@H]1CCCc2ccccc21 ZINC000019406275 175806282 /nfs/dbraw/zinc/80/62/82/175806282.db2.gz JOPDCTFCIHSFKH-ZWNOBZJWSA-N 1 0 205.301 2.428 10 0 BEAERO C[C@@H]([NH3+])Cc1ccc(-c2cncnc2)cc1 ZINC000044461698 175807052 /nfs/dbraw/zinc/80/70/52/175807052.db2.gz DBWNPLQZFRHMKA-SNVBAGLBSA-N 1 0 213.284 2.033 10 0 BEAERO C[C@@H]([NH3+])Cc1nc(-c2ccsc2)c[nH]1 ZINC000050340306 175808061 /nfs/dbraw/zinc/80/80/61/175808061.db2.gz ZYVRQEZTIVGJRD-SSDOTTSWSA-N 1 0 207.302 2.028 10 0 BEAERO C[C@@H](Nc1cc[nH+]cc1N)c1ccccn1 ZINC000035694685 175935150 /nfs/dbraw/zinc/93/51/50/175935150.db2.gz WNHGKHRWVCMCBJ-SECBINFHSA-N 1 0 214.272 2.232 10 0 BEAERO C[C@@H](OCC1CC[NH2+]CC1)c1nccs1 ZINC000095068563 176002214 /nfs/dbraw/zinc/00/22/14/176002214.db2.gz MUBQINSENKNZMZ-SECBINFHSA-N 1 0 226.345 2.220 10 0 BEAERO C[C@@H](OCC[NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000053554494 176002317 /nfs/dbraw/zinc/00/23/17/176002317.db2.gz ALCWMBVVILXQHD-KGLIPLIRSA-N 1 0 249.354 2.390 10 0 BEAERO C[C@@H]([C@@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000022564785 176010902 /nfs/dbraw/zinc/01/09/02/176010902.db2.gz MNFCLYMKKNXXHS-WCQYABFASA-N 1 0 204.317 2.171 10 0 BEAERO C[C@@H]([C@H]([NH3+])c1ccccc1)n1ccnc1 ZINC000023070823 176012044 /nfs/dbraw/zinc/01/20/44/176012044.db2.gz DCHONAQTARXODU-JQWIXIFHSA-N 1 0 201.273 2.144 10 0 BEAERO C[C@@H]([C@@H]1CCCO1)n1c(N)[nH+]c2ccccc21 ZINC000035736351 176012334 /nfs/dbraw/zinc/01/23/34/176012334.db2.gz PIMCYCLINGXPQD-CABZTGNLSA-N 1 0 231.299 2.359 10 0 BEAERO C[C@@H](c1cc2ccccc2o1)N1CC[NH2+]CC1 ZINC000038086592 176012927 /nfs/dbraw/zinc/01/29/27/176012927.db2.gz BMKIEBGBQXNFPK-NSHDSACASA-N 1 0 230.311 2.399 10 0 BEAERO C[C@@H](c1ccc(Cl)s1)N1CC[C@H]([NH3+])C1 ZINC000042590096 176014341 /nfs/dbraw/zinc/01/43/41/176014341.db2.gz NBFJEOMLQOIECA-YUMQZZPRSA-N 1 0 230.764 2.496 10 0 BEAERO C[C@@H](c1ccc(F)cc1)N1CC[NH2+]C[C@H]1C ZINC000083086864 176015948 /nfs/dbraw/zinc/01/59/48/176015948.db2.gz LARKCZLYPGWVBF-MNOVXSKESA-N 1 0 222.307 2.180 10 0 BEAERO C[C@@H](c1cccc(Cl)c1)N(C)C1C[NH2+]C1 ZINC000062014501 176016861 /nfs/dbraw/zinc/01/68/61/176016861.db2.gz XDLSJEYEXIIFLM-VIFPVBQESA-N 1 0 224.735 2.305 10 0 BEAERO C[C@@H](c1ccccc1)[N@H+](C)CC1CC(O)C1 ZINC000084453861 176020966 /nfs/dbraw/zinc/02/09/66/176020966.db2.gz XZLARQCFSWDWOZ-DCBWTQNWSA-N 1 0 219.328 2.450 10 0 BEAERO C[C@@H](c1ccccn1)n1c(N)[nH+]c2ccccc21 ZINC000035695300 176027967 /nfs/dbraw/zinc/02/79/67/176027967.db2.gz PXFXCLMTMYBVRF-JTQLQIEISA-N 1 0 238.294 2.453 10 0 BEAERO C[C@@H](c1cccs1)N(C)[C@@H]1CC[NH2+]C1 ZINC000051783513 176032807 /nfs/dbraw/zinc/03/28/07/176032807.db2.gz RTJMRFHGBSOCGT-VHSXEESVSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCc1nnc[nH]1 ZINC000120034511 176051175 /nfs/dbraw/zinc/05/11/75/176051175.db2.gz ZDOQLTHXWWACSR-GHMZBOCLSA-N 1 0 236.363 2.152 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(c2ncon2)C1 ZINC000036762101 176052704 /nfs/dbraw/zinc/05/27/04/176052704.db2.gz VSWUSITZJMVUPS-KCJUWKMLSA-N 1 0 209.293 2.070 10 0 BEAERO C[C@@H]1CCCCN1C(=O)C1CCC(C[NH3+])CC1 ZINC000055145210 176067066 /nfs/dbraw/zinc/06/70/66/176067066.db2.gz AKCQGGHRQSHFOC-PNESKVBLSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCCC1 ZINC000014193864 176069779 /nfs/dbraw/zinc/06/97/79/176069779.db2.gz KLJGBIIWKRZDBF-GFCCVEGCSA-N 1 0 238.375 2.310 10 0 BEAERO C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C(N)=[NH2+])cn1 ZINC000042607907 176078981 /nfs/dbraw/zinc/07/89/81/176078981.db2.gz MPMGKKFOFBGWRX-PWSUYJOCSA-N 1 0 246.358 2.381 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C ZINC000034937812 176081266 /nfs/dbraw/zinc/08/12/66/176081266.db2.gz CSUDAPHSSUXYJZ-MNOVXSKESA-N 1 0 207.321 2.088 10 0 BEAERO C[C@@H]1CCCC[C@@H]1Oc1ccnc(C[NH3+])c1 ZINC000051524781 176082397 /nfs/dbraw/zinc/08/23/97/176082397.db2.gz RBMSLZATAMUSSX-MFKMUULPSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCC[C@@H]1Oc1ncccc1C[NH3+] ZINC000019280154 176082485 /nfs/dbraw/zinc/08/24/85/176082485.db2.gz LEARJVQTAZHKKP-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCC[C@@H]1Oc1ncccc1C(N)=[NH2+] ZINC000019423987 176082669 /nfs/dbraw/zinc/08/26/69/176082669.db2.gz HZQCLDIBKMRTTG-KOLCDFICSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@@H]1CCCC[C@@]1([NH3+])C(=O)OC(C)(C)C ZINC000041038358 176083761 /nfs/dbraw/zinc/08/37/61/176083761.db2.gz QQMSPLHHUQXYNS-SKDRFNHKSA-N 1 0 213.321 2.236 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC000042860967 176084502 /nfs/dbraw/zinc/08/45/02/176084502.db2.gz KAYMWPIQIVKFEZ-NEPJUHHUSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)N1CCCC1 ZINC000042862731 176084543 /nfs/dbraw/zinc/08/45/43/176084543.db2.gz QMZPKKFGUZAEBQ-OLZOCXBDSA-N 1 0 238.375 2.025 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055122596 176091856 /nfs/dbraw/zinc/09/18/56/176091856.db2.gz LSISHRKOXMANOR-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1C ZINC000055087961 176093665 /nfs/dbraw/zinc/09/36/65/176093665.db2.gz GIFONGJAUGQAPI-LPWJVIDDSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[N@H+](CC2(N)CCCC2)[C@@H]1C ZINC000050566831 176096897 /nfs/dbraw/zinc/09/68/97/176096897.db2.gz UTBJGROCQACRQA-VXGBXAGGSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2N)CC1 ZINC000104360804 176099678 /nfs/dbraw/zinc/09/96/78/176099678.db2.gz LFSPDSJOFYFLTD-DOMZBBRYSA-N 1 0 248.370 2.424 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(N)c2)C1 ZINC000041137899 176099812 /nfs/dbraw/zinc/09/98/12/176099812.db2.gz VKEOMUFSVPCZHE-RISCZKNCSA-N 1 0 234.343 2.034 10 0 BEAERO C[C@@H]1CCC[N@@H+]1Cc1cc(N)cc2c1OCOC2 ZINC000037909705 176107916 /nfs/dbraw/zinc/10/79/16/176107916.db2.gz HXEIDRDIVDXGDJ-SNVBAGLBSA-N 1 0 248.326 2.120 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C[C@@H]1CNc2ccccc2O1 ZINC000037911164 176107974 /nfs/dbraw/zinc/10/79/74/176107974.db2.gz SERLZEHKVANYPG-NEPJUHHUSA-N 1 0 232.327 2.344 10 0 BEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCCC1CCCC1 ZINC000051793129 176111998 /nfs/dbraw/zinc/11/19/98/176111998.db2.gz UBUZOZJUSIOHCM-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1csc(N)n1 ZINC000036732538 176116460 /nfs/dbraw/zinc/11/64/60/176116460.db2.gz KPFGMCHNMGXYOG-RKDXNWHRSA-N 1 0 225.361 2.488 10 0 BEAERO C[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]1 ZINC000051573373 176119053 /nfs/dbraw/zinc/11/90/53/176119053.db2.gz XRNMGCXGUDXCSG-ZJUUUORDSA-N 1 0 228.336 2.042 10 0 BEAERO C[C@@H]1CCC[C@@H](Oc2cccc(C[NH3+])n2)C1 ZINC000051542217 176125078 /nfs/dbraw/zinc/12/50/78/176125078.db2.gz ALZZHSAXWVSHEJ-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@@H](c2nccc(CC[NH3+])n2)C1 ZINC000054833584 176125641 /nfs/dbraw/zinc/12/56/41/176125641.db2.gz YOOGSXKKHJRWHQ-GHMZBOCLSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000071211873 176129198 /nfs/dbraw/zinc/12/91/98/176129198.db2.gz DCCVWGYDEBOYCG-NDBYEHHHSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCC[C@H](Oc2ccnc(C[NH3+])c2)C1 ZINC000051542233 176145801 /nfs/dbraw/zinc/14/58/01/176145801.db2.gz LNQBBWZJLDAFQM-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@H](OCc2cc(C[NH3+])no2)C1 ZINC000052631983 176146406 /nfs/dbraw/zinc/14/64/06/176146406.db2.gz BVUWMWPRONQTCB-KOLCDFICSA-N 1 0 224.304 2.229 10 0 BEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)OC(C)(C)C)C1 ZINC000041036800 176152502 /nfs/dbraw/zinc/15/25/02/176152502.db2.gz JXVAXIFUJGXWIA-BXKDBHETSA-N 1 0 213.321 2.236 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)[C@H]1CO ZINC000287724010 176172932 /nfs/dbraw/zinc/17/29/32/176172932.db2.gz KHADEKRYMCBJTB-ZLDLUXBVSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc32)[C@H]1CO ZINC000287724001 176174546 /nfs/dbraw/zinc/17/45/46/176174546.db2.gz KHADEKRYMCBJTB-KYOSRNDESA-N 1 0 231.339 2.029 10 0 BEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2ccncc2)[C@H](C)C1 ZINC000051729715 176180059 /nfs/dbraw/zinc/18/00/59/176180059.db2.gz WLLHFHGHWJSODS-BZPMIXESSA-N 1 0 233.359 2.202 10 0 BEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000040717419 176180974 /nfs/dbraw/zinc/18/09/74/176180974.db2.gz CVBVRSHSADCDNJ-MFKMUULPSA-N 1 0 222.307 2.167 10 0 BEAERO C[C@@H]1CCN(c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000044390211 176181637 /nfs/dbraw/zinc/18/16/37/176181637.db2.gz ISQQPGHDUXGGKO-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO C[C@@H]1CC[NH2+]CCN1Cc1ccccc1F ZINC000062611100 176185587 /nfs/dbraw/zinc/18/55/87/176185587.db2.gz KUKNQWPTSQEQQT-LLVKDONJSA-N 1 0 222.307 2.010 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1nc2ccccc2o1 ZINC000335656462 176186299 /nfs/dbraw/zinc/18/62/99/176186299.db2.gz ILJFMUZQDUUWQW-MWLCHTKSSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)Nc2cccc(F)c2)C[NH2+]1 ZINC000019488801 176196116 /nfs/dbraw/zinc/19/61/16/176196116.db2.gz KLHAKUSKSDAQPK-NXEZZACHSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)C[NH2+]1 ZINC000261508950 176211323 /nfs/dbraw/zinc/21/13/23/176211323.db2.gz YPDCQVQEFUIYNC-DGCLKSJQSA-N 1 0 248.326 2.053 10 0 BEAERO C[C@@H]1CC[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1 ZINC000039110717 176238179 /nfs/dbraw/zinc/23/81/79/176238179.db2.gz CRHBAGGSKRHZQC-KGLIPLIRSA-N 1 0 224.392 2.450 10 0 BEAERO C[C@@H]1CN(C(=[NH2+])Nc2ccccc2)CCCO1 ZINC000061934098 176241057 /nfs/dbraw/zinc/24/10/57/176241057.db2.gz RHLOSQYSTIWLHI-LLVKDONJSA-N 1 0 233.315 2.144 10 0 BEAERO C[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](C)C[NH2+]1 ZINC000034109316 176254143 /nfs/dbraw/zinc/25/41/43/176254143.db2.gz HDMXGKDIDQZITN-VXGBXAGGSA-N 1 0 248.326 2.005 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCO2)c2ccccc2C[NH2+]1 ZINC000062622207 176298029 /nfs/dbraw/zinc/29/80/29/176298029.db2.gz BNMQDSVJJWJSIC-OCCSQVGLSA-N 1 0 246.354 2.164 10 0 BEAERO C[C@H]1[C@@H]([NH3+])[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000068592989 176306402 /nfs/dbraw/zinc/30/64/02/176306402.db2.gz MCYADVOUXKSBRH-RGCMKSIDSA-N 1 0 232.371 2.490 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(c2cccc(F)c2F)C1 ZINC000049667020 176324023 /nfs/dbraw/zinc/32/40/23/176324023.db2.gz LNVROZQTNJCKNQ-SNVBAGLBSA-N 1 0 240.297 2.401 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@@H](C)S1)c1cccnc1 ZINC000035692470 176324033 /nfs/dbraw/zinc/32/40/33/176324033.db2.gz KJSPEXHLZQCLNN-RKDXNWHRSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[NH2+]CC(C)(C)N1Cc1ccccc1 ZINC000082367952 176324344 /nfs/dbraw/zinc/32/43/44/176324344.db2.gz DVTPVHXIQALAGC-GFCCVEGCSA-N 1 0 218.344 2.259 10 0 BEAERO C[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1Cl ZINC000083371033 176328291 /nfs/dbraw/zinc/32/82/91/176328291.db2.gz ZAKJTBRDGDIFEA-SECBINFHSA-N 1 0 242.725 2.273 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(Cl)s2)O1 ZINC000035286467 176328569 /nfs/dbraw/zinc/32/85/69/176328569.db2.gz SHDWLCJZQZRVPB-RQJHMYQMSA-N 1 0 217.721 2.451 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000083008494 176328861 /nfs/dbraw/zinc/32/88/61/176328861.db2.gz LMVKSJQVKNHHOX-AAEUAGOBSA-N 1 0 218.344 2.466 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccccc2Cl)O1 ZINC000032012616 176329540 /nfs/dbraw/zinc/32/95/40/176329540.db2.gz BONOEYOQDIOQSC-KCJUWKMLSA-N 1 0 211.692 2.389 10 0 BEAERO C[C@@H]1COC[C@@H](CCc2ccc(F)cc2)[NH2+]1 ZINC000071525012 176346531 /nfs/dbraw/zinc/34/65/31/176346531.db2.gz YEOPIIHSWQHSTP-ZWNOBZJWSA-N 1 0 223.291 2.135 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccc1 ZINC000120978434 176346751 /nfs/dbraw/zinc/34/67/51/176346751.db2.gz HSPOZEDSMWQHCR-VXGBXAGGSA-N 1 0 205.301 2.296 10 0 BEAERO C[C@@H]1CO[C@H](c2cccc(OC(F)F)c2)C[NH2+]1 ZINC000036673586 176347836 /nfs/dbraw/zinc/34/78/36/176347836.db2.gz WCQSQEUQNNZRCE-KCJUWKMLSA-N 1 0 243.253 2.337 10 0 BEAERO C[C@@H](NC1=[NH+][C@H](C)CS1)c1ccco1 ZINC000035739652 176349489 /nfs/dbraw/zinc/34/94/89/176349489.db2.gz PMNILDFQAOZPHW-HTQZYQBOSA-N 1 0 210.302 2.422 10 0 BEAERO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000133374891 176363252 /nfs/dbraw/zinc/36/32/52/176363252.db2.gz AICVPMAFWPKVIZ-GHMZBOCLSA-N 1 0 232.327 2.016 10 0 BEAERO C[C@@H]1C[C@@H]([N@H+](C)CCc2ccccn2)CCN1C ZINC000123144030 176370718 /nfs/dbraw/zinc/37/07/18/176370718.db2.gz PPMXLCSVSASEKN-HIFRSBDPSA-N 1 0 247.386 2.039 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)CC(C)(C)C1 ZINC000310313392 176379456 /nfs/dbraw/zinc/37/94/56/176379456.db2.gz WXOKUSQODZPYKI-UTUOFQBUSA-N 1 0 238.375 2.022 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCCO1 ZINC000383509758 487633742 /nfs/dbraw/zinc/63/37/42/487633742.db2.gz KYCLHGKQHXOKRV-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@](C)(N)c1ccccc1 ZINC000104408580 176391608 /nfs/dbraw/zinc/39/16/08/176391608.db2.gz USUZNPSXAYZJHT-NFAWXSAZSA-N 1 0 232.371 2.448 10 0 BEAERO C[C@@](O)(C[NH2+]C1CC1)c1ccccc1Cl ZINC000055033173 176518229 /nfs/dbraw/zinc/51/82/29/176518229.db2.gz BULWZJPPHREFQH-GFCCVEGCSA-N 1 0 225.719 2.300 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+]CCc1nnc[nH]1 ZINC000304459421 176615860 /nfs/dbraw/zinc/61/58/60/176615860.db2.gz ZSXBSORSJVHWHY-SNVBAGLBSA-N 1 0 224.352 2.152 10 0 BEAERO C[C@H](C[NH3+])C(=O)Nc1cccc(Cl)c1F ZINC000054337737 176657307 /nfs/dbraw/zinc/65/73/07/176657307.db2.gz MLMABEVLTUJNSL-ZCFIWIBFSA-N 1 0 230.670 2.012 10 0 BEAERO C[C@H](C[NH3+])CN(C)C(=O)c1cc2ccccc2o1 ZINC000042455169 176657846 /nfs/dbraw/zinc/65/78/46/176657846.db2.gz JRYSGBKNFURIRA-SNVBAGLBSA-N 1 0 246.310 2.100 10 0 BEAERO C[C@H](C[NH2+]C(C)(C)C)n1cc(Cl)cn1 ZINC000052577318 176677886 /nfs/dbraw/zinc/67/78/86/176677886.db2.gz DSBGNYAACNNQBN-MRVPVSSYSA-N 1 0 215.728 2.486 10 0 BEAERO C[C@H](CO)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042329480 176706760 /nfs/dbraw/zinc/70/67/60/176706760.db2.gz MDICBZABVIWIGL-LDYMZIIASA-N 1 0 211.330 2.170 10 0 BEAERO C[C@H](N(C)c1ccc(C(N)=[NH2+])cn1)C(C)(C)C ZINC000042767322 176744658 /nfs/dbraw/zinc/74/46/58/176744658.db2.gz FZEULVNMAWWQTH-VIFPVBQESA-N 1 0 234.347 2.236 10 0 BEAERO C[C@H]([N@H+](C)C[C@H]1Cc2ccccc21)C(C)(C)O ZINC000295115077 176745188 /nfs/dbraw/zinc/74/51/88/176745188.db2.gz IBGPAKNBOZRENV-WCQYABFASA-N 1 0 233.355 2.418 10 0 BEAERO C[C@H]([NH3+])CC(=O)Nc1cccc(Cl)c1F ZINC000037476070 176757731 /nfs/dbraw/zinc/75/77/31/176757731.db2.gz KKPPJRGNHRPSTE-LURJTMIESA-N 1 0 230.670 2.155 10 0 BEAERO C[C@H]([NH3+])CN1CCc2ccc(Cl)cc21 ZINC000011688918 176760821 /nfs/dbraw/zinc/76/08/21/176760821.db2.gz XEAADXLKWPGODO-QMMMGPOBSA-N 1 0 210.708 2.050 10 0 BEAERO C[C@H]([NH3+])COc1ccc(Cl)cc1F ZINC000075881407 176761063 /nfs/dbraw/zinc/76/10/63/176761063.db2.gz CSRWLKVKVXFPKE-LURJTMIESA-N 1 0 203.644 2.205 10 0 BEAERO C[C@H]([NH3+])Cc1nc2c(cccc2Cl)[nH]1 ZINC000037443732 176762357 /nfs/dbraw/zinc/76/23/57/176762357.db2.gz WUELVWIYWRMUDD-LURJTMIESA-N 1 0 209.680 2.106 10 0 BEAERO C[C@H]([NH3+])Cc1ccccc1Sc1cnn(C)c1 ZINC000104449507 176762459 /nfs/dbraw/zinc/76/24/59/176762459.db2.gz JZXSOCFIWBBADP-JTQLQIEISA-N 1 0 247.367 2.461 10 0 BEAERO C[C@H]([NH3+])Cc1ccnc(C2CCCCC2)n1 ZINC000054834277 176762543 /nfs/dbraw/zinc/76/25/43/176762543.db2.gz GOUGAGGQYAQPNP-JTQLQIEISA-N 1 0 219.332 2.414 10 0 BEAERO C[C@H]([NH3+])Cc1nc2cc(F)ccc2s1 ZINC000037204495 176762803 /nfs/dbraw/zinc/76/28/03/176762803.db2.gz QGMXKYOGNODSKP-LURJTMIESA-N 1 0 210.277 2.325 10 0 BEAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000042944577 176766531 /nfs/dbraw/zinc/76/65/31/176766531.db2.gz QTPXZKPCJBDDKS-KWQFWETISA-N 1 0 212.724 2.290 10 0 BEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC000042947259 176771123 /nfs/dbraw/zinc/77/11/23/176771123.db2.gz RILCNHIRJVDURP-JOYOIKCWSA-N 1 0 235.718 2.473 10 0 BEAERO C[C@H]([NH3+])c1nc2cnc3ccccc3c2[nH]1 ZINC000040539493 176779921 /nfs/dbraw/zinc/77/99/21/176779921.db2.gz VKOBBWPPVIOFOS-ZETCQYMHSA-N 1 0 212.256 2.131 10 0 BEAERO C[C@H]([NH2+]CCc1ccsc1)[C@@H]1CCOC1 ZINC000132296722 176855304 /nfs/dbraw/zinc/85/53/04/176855304.db2.gz CMGBNCUFVNGPQH-CMPLNLGQSA-N 1 0 225.357 2.305 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(=O)NC1CC1 ZINC000042862194 176867996 /nfs/dbraw/zinc/86/79/96/176867996.db2.gz VCVKBJNURAPAOP-GRYCIOLGSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000125764680 176877541 /nfs/dbraw/zinc/87/75/41/176877541.db2.gz GGVRADGHKUAEPL-UWVGGRQHSA-N 1 0 227.735 2.447 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC12CCC2)[C@H]1CCCO1 ZINC000308888014 176893873 /nfs/dbraw/zinc/89/38/73/176893873.db2.gz WKOYQWGZDWSJEA-QJPTWQEYSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H](O)c1ccccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000061983828 177018110 /nfs/dbraw/zinc/01/81/10/177018110.db2.gz FSLWLEYLBOVHKS-RYUDHWBXSA-N 1 0 246.354 2.389 10 0 BEAERO C[C@H](OC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068456 177021299 /nfs/dbraw/zinc/02/12/99/177021299.db2.gz VQHGLWLKGRGKBI-QWRGUYRKSA-N 1 0 208.305 2.234 10 0 BEAERO C[C@H](OC[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068506 177021765 /nfs/dbraw/zinc/02/17/65/177021765.db2.gz YANYPGFYOYFZCD-QWRGUYRKSA-N 1 0 208.305 2.092 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000041054121 177023155 /nfs/dbraw/zinc/02/31/55/177023155.db2.gz NQXQJEIEFQUATN-ZJUUUORDSA-N 1 0 205.301 2.290 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)Oc1cccc(F)c1F ZINC000062613914 177024142 /nfs/dbraw/zinc/02/41/42/177024142.db2.gz ONOMLASKDRRMRV-RQJHMYQMSA-N 1 0 201.216 2.079 10 0 BEAERO C[C@H](c1cc2ccccc2o1)N1CC[NH2+]CC1 ZINC000038086593 177031419 /nfs/dbraw/zinc/03/14/19/177031419.db2.gz BMKIEBGBQXNFPK-LLVKDONJSA-N 1 0 230.311 2.399 10 0 BEAERO C[C@H](c1cccc(N)c1)[N@@H+]1CCCOCC1 ZINC000061914066 177036123 /nfs/dbraw/zinc/03/61/23/177036123.db2.gz HOBAVPNXSGULHE-LLVKDONJSA-N 1 0 220.316 2.052 10 0 BEAERO C[C@H](c1ccccc1Cl)N(C)C1C[NH2+]C1 ZINC000062014456 177041971 /nfs/dbraw/zinc/04/19/71/177041971.db2.gz ISIJGNQHKRCQTK-SECBINFHSA-N 1 0 224.735 2.305 10 0 BEAERO C[C@H](c1ccccn1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068205 177042336 /nfs/dbraw/zinc/04/23/36/177042336.db2.gz CWLSWRDMSDFMJF-OLZOCXBDSA-N 1 0 233.359 2.217 10 0 BEAERO C[C@H](c1cccs1)[N@@H+]1CCC[C@H](O)C1 ZINC000095089050 177049081 /nfs/dbraw/zinc/04/90/81/177049081.db2.gz JEOARMHSRANYEO-ZJUUUORDSA-N 1 0 211.330 2.266 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(c2cncnc2)C1 ZINC000052887629 177063812 /nfs/dbraw/zinc/06/38/12/177063812.db2.gz NUTAVAIQYWIBHI-GXFFZTMASA-N 1 0 219.332 2.477 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1N ZINC000022152047 177073832 /nfs/dbraw/zinc/07/38/32/177073832.db2.gz WMBHPABDWBBKSX-NSHDSACASA-N 1 0 247.342 2.082 10 0 BEAERO C[C@H]1CCCC[C@H]1OC(=O)C1CC[NH2+]CC1 ZINC000048633338 177089522 /nfs/dbraw/zinc/08/95/22/177089522.db2.gz AHZCBMROQPFSMA-CMPLNLGQSA-N 1 0 225.332 2.108 10 0 BEAERO C[C@H]1CCCC[C@]1([NH3+])c1noc(C(F)(F)F)n1 ZINC000036765000 177090097 /nfs/dbraw/zinc/09/00/97/177090097.db2.gz RIATYVIFUOZEIP-IMTBSYHQSA-N 1 0 249.236 2.453 10 0 BEAERO C[C@H]1CCCC[C@]1(CN)[N@H+](C)CC1CC1 ZINC000037925265 177090392 /nfs/dbraw/zinc/09/03/92/177090392.db2.gz COXGYQIZLJDOFG-WCQYABFASA-N 1 0 210.365 2.236 10 0 BEAERO C[C@H]1CCCC[C@]1([NH2+]Cc1ccccc1)C(N)=O ZINC000037941225 177090749 /nfs/dbraw/zinc/09/07/49/177090749.db2.gz PTJVKHBUKUARNV-SWLSCSKDSA-N 1 0 246.354 2.210 10 0 BEAERO C[C@H]1CCC[N@H+](CCOc2ccccc2N)C1 ZINC000033465256 177100643 /nfs/dbraw/zinc/10/06/43/177100643.db2.gz BIUAFGVQHOEPMF-LBPRGKRZSA-N 1 0 234.343 2.380 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@@H](CN)C2CCCC2)C1 ZINC000050272039 177104414 /nfs/dbraw/zinc/10/44/14/177104414.db2.gz VBRRQVCXQQRFPD-AAEUAGOBSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@H]1CCC[N@@H+]1CCOc1ccccc1N ZINC000037909948 177108933 /nfs/dbraw/zinc/10/89/33/177108933.db2.gz KTXPSTGWPMTWSK-NSHDSACASA-N 1 0 220.316 2.132 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)NC2CCCCCC2)[NH2+]1 ZINC000037390423 177112452 /nfs/dbraw/zinc/11/24/52/177112452.db2.gz VXAVNDLLJOGWCD-AAEUAGOBSA-N 1 0 238.375 2.356 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H](C)CC2)[NH2+]1 ZINC000104367404 177113177 /nfs/dbraw/zinc/11/31/77/177113177.db2.gz XDDHWFSJXJJXDY-AGIUHOORSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H](C)[NH2+]1)c1ccccc1 ZINC000019426335 177113999 /nfs/dbraw/zinc/11/39/99/177113999.db2.gz KQFOVLJEHGCLJT-OBJOEFQTSA-N 1 0 246.354 2.394 10 0 BEAERO C[C@H]1CCC[C@@H]([N@H+](C)C2CC[NH2+]CC2)C1 ZINC000042493391 177120034 /nfs/dbraw/zinc/12/00/34/177120034.db2.gz ABOAHFDVBCZSAG-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H]1[C@H](NC(=O)CC[NH2+]C2CC2)CCC[C@@H]1C ZINC000037611958 177121133 /nfs/dbraw/zinc/12/11/33/177121133.db2.gz BCZOHODAVDOWBT-DMDPSCGWSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CCC[C@@H](SCCN2CC[NH2+]CC2)C1 ZINC000054694847 177123525 /nfs/dbraw/zinc/12/35/25/177123525.db2.gz PEFBZMMUEDMPTG-QWHCGFSZSA-N 1 0 242.432 2.204 10 0 BEAERO C[C@H]1CCC[C@@](CN)([N@@H+]2CCCSCC2)C1 ZINC000042443556 177127934 /nfs/dbraw/zinc/12/79/34/177127934.db2.gz ZQURSAWNDIIHRF-QWHCGFSZSA-N 1 0 242.432 2.333 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)N(C)C2CCCCC2)[NH2+]1 ZINC000019514194 177128435 /nfs/dbraw/zinc/12/84/35/177128435.db2.gz IDLATLGKYILAAP-WCQYABFASA-N 1 0 238.375 2.308 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)N(C)CC(C)(C)C)[NH2+]1 ZINC000045089370 177128437 /nfs/dbraw/zinc/12/84/37/177128437.db2.gz RCPOBHHSQXJQLY-WDEREUQCSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@H](NC(=O)[C@H]1CCC[C@H](C)[NH2+]1)c1ccccc1 ZINC000019426338 177128828 /nfs/dbraw/zinc/12/88/28/177128828.db2.gz KQFOVLJEHGCLJT-SGMGOOAPSA-N 1 0 246.354 2.394 10 0 BEAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCCn1ccnn1 ZINC000126475310 177129949 /nfs/dbraw/zinc/12/99/49/177129949.db2.gz PBCXRMHLAQUSSJ-RYUDHWBXSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@H]1CCC[C@](CO)([NH2+]C2CCCC2)C1 ZINC000038122671 177143599 /nfs/dbraw/zinc/14/35/99/177143599.db2.gz KHQDSOIZTXGAEF-AAEUAGOBSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@H]1CCC[C@](C[NH3+])(N(C)Cc2cccnc2)C1 ZINC000036771020 177143938 /nfs/dbraw/zinc/14/39/38/177143938.db2.gz HLWLDTCGRVYMLR-ZFWWWQNUSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1C[C@@H](C)CCN1C(=O)CC[NH2+]C(C)(C)C ZINC000051732976 177147227 /nfs/dbraw/zinc/14/72/27/177147227.db2.gz OYIRRAYJKSUNQQ-NWDGAFQWSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@H]1CCN(Cc2ccccc2)C[C@H]([NH3+])C1 ZINC000038587394 177165054 /nfs/dbraw/zinc/16/50/54/177165054.db2.gz BXJFSICAWIZSFJ-GXTWGEPZSA-N 1 0 218.344 2.246 10 0 BEAERO C[C@H]1CCN(Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000235673974 177165159 /nfs/dbraw/zinc/16/51/59/177165159.db2.gz MTWYKUKJOALOHN-WCQYABFASA-N 1 0 236.334 2.385 10 0 BEAERO C[C@H]1CCN(Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661836 177165709 /nfs/dbraw/zinc/16/57/09/177165709.db2.gz QGQCWLYOFSCTDO-NSHDSACASA-N 1 0 222.307 2.010 10 0 BEAERO C[C@H]1CCN([C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000042278840 177170306 /nfs/dbraw/zinc/17/03/06/177170306.db2.gz AHOKSVFUDDRJPY-GWCFXTLKSA-N 1 0 222.307 2.167 10 0 BEAERO C[C@H]1CCN(c2cc(F)cc(F)c2)CC[NH2+]1 ZINC000049661700 177170996 /nfs/dbraw/zinc/17/09/96/177170996.db2.gz LWMJAODPWWWDGZ-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO C[C@H]1CCN(c2ccc(F)c(F)c2F)CC[NH2+]1 ZINC000049661077 177171246 /nfs/dbraw/zinc/17/12/46/177171246.db2.gz ATUQRKQUKGGCTF-QMMMGPOBSA-N 1 0 244.260 2.292 10 0 BEAERO C[C@H]1CCN(c2c(F)cccc2F)CC[NH2+]1 ZINC000049661857 177171249 /nfs/dbraw/zinc/17/12/49/177171249.db2.gz QJVBOYHPKGQZJV-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO C[C@H]1CC[NH2+][C@@H](C(=O)NCCC2CCCC2)C1 ZINC000126478751 177175334 /nfs/dbraw/zinc/17/53/34/177175334.db2.gz XNCYOGVNXISGAT-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1nccc2occc21 ZINC000333074377 177175832 /nfs/dbraw/zinc/17/58/32/177175832.db2.gz DEKBSUJTVVGANV-GXSJLCMTSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)Nc2ccccc2F)C[NH2+]1 ZINC000019428139 177181749 /nfs/dbraw/zinc/18/17/49/177181749.db2.gz CXVABHIMEXLIOG-VHSXEESVSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2)C[NH2+]1 ZINC000019802777 177182156 /nfs/dbraw/zinc/18/21/56/177182156.db2.gz WHAXYXURPMGGSF-VHSXEESVSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)Nc2ccccc2)C[NH2+]1 ZINC000019519364 177182346 /nfs/dbraw/zinc/18/23/46/177182346.db2.gz MTOAFWZASMZHRK-WDEREUQCSA-N 1 0 218.300 2.013 10 0 BEAERO C[C@H]1CC[C@H](C(=O)N(C)c2ccccc2)C[NH2+]1 ZINC000019477497 177196898 /nfs/dbraw/zinc/19/68/98/177196898.db2.gz ISPMTFLXHLFOJB-RYUDHWBXSA-N 1 0 232.327 2.038 10 0 BEAERO C[C@H]1CC[C@H](C(=O)NCC2(C)CCCC2)C[NH2+]1 ZINC000104430838 177197343 /nfs/dbraw/zinc/19/73/43/177197343.db2.gz IXUVSPVZRLBZPX-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[C@H]([NH3+])CN1CCc1ccccc1 ZINC000040740165 177203915 /nfs/dbraw/zinc/20/39/15/177203915.db2.gz MVOVJUUIDPNHMW-JSGCOSHPSA-N 1 0 218.344 2.041 10 0 BEAERO C[C@@H]1C[N@@H+](CCCc2cccc(N)c2)C[C@H](C)O1 ZINC000041138743 177248984 /nfs/dbraw/zinc/24/89/84/177248984.db2.gz YOQDZPGHDAUSDT-BETUJISGSA-N 1 0 248.370 2.311 10 0 BEAERO C[C@H]1C[N@H+](CCc2ccncc2)CCS1 ZINC000171703003 177255723 /nfs/dbraw/zinc/25/57/23/177255723.db2.gz RZQQRTJCPBJQJC-NSHDSACASA-N 1 0 222.357 2.061 10 0 BEAERO C[C@H]1CN(Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000082367947 177264281 /nfs/dbraw/zinc/26/42/81/177264281.db2.gz XAMFFOLTPSPMLJ-LBPRGKRZSA-N 1 0 218.344 2.259 10 0 BEAERO C[C@H]1CN(c2cccc(Cl)c2)[NH+]=C1N ZINC000034592818 177277126 /nfs/dbraw/zinc/27/71/26/177277126.db2.gz CTVZXQUUWUDABQ-ZETCQYMHSA-N 1 0 209.680 2.068 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2cccc(F)c2)C1 ZINC000049662839 177281942 /nfs/dbraw/zinc/28/19/42/177281942.db2.gz RJEJPSRJHHRCOW-NSHDSACASA-N 1 0 222.307 2.262 10 0 BEAERO C[C@H](NC1=[NH+]C[C@H](C)S1)c1ccco1 ZINC000035739655 177282060 /nfs/dbraw/zinc/28/20/60/177282060.db2.gz YCWMCJFUFYANFM-YUMQZZPRSA-N 1 0 210.302 2.422 10 0 BEAERO C[C@H]1C[NH2+]CCN(c2cc(F)ccc2F)C1 ZINC000049661134 177282706 /nfs/dbraw/zinc/28/27/06/177282706.db2.gz IJNYROVJUOVBIF-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[C@H]1C[NH2+]CCN(c2cccc3cnccc32)C1 ZINC000049662084 177283175 /nfs/dbraw/zinc/28/31/75/177283175.db2.gz HNLYQYNOKRNXJO-LBPRGKRZSA-N 1 0 241.338 2.281 10 0 BEAERO C[C@H]1C[NH2+]CCN(Cc2ccc(F)c(F)c2)C1 ZINC000049662449 177283234 /nfs/dbraw/zinc/28/32/34/177283234.db2.gz RPHGEGGSBPNCGU-JTQLQIEISA-N 1 0 240.297 2.006 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(F)c(F)c2)O1 ZINC000036673243 177285370 /nfs/dbraw/zinc/28/53/70/177285370.db2.gz FMLIRMVDZSOXDW-CPCISQLKSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H](NC1=[NH+][C@@H](C)CS1)c1ccccn1 ZINC000035695356 177302969 /nfs/dbraw/zinc/30/29/69/177302969.db2.gz AHBLDYHQRPRKOX-DTWKUNHWSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)c2cccc(N)c2)C1 ZINC000041138136 177312863 /nfs/dbraw/zinc/31/28/63/177312863.db2.gz BRCKIDDXJRYVOJ-ZOWXZIJZSA-N 1 0 248.370 2.280 10 0 BEAERO C[C@H]1C[C@@H]([N@H+](C)CCc2ccccn2)CCN1C ZINC000123144235 177327212 /nfs/dbraw/zinc/32/72/12/177327212.db2.gz PPMXLCSVSASEKN-ZFWWWQNUSA-N 1 0 247.386 2.039 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]CCCn2ccnn2)C[C@@H]1C ZINC000126533878 177332021 /nfs/dbraw/zinc/33/20/21/177332021.db2.gz RJHIGKYMZJKXGI-AGIUHOORSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@H]1C[C@@H]1CN(C)c1nc2c(cc1C[NH3+])CCC2 ZINC000104417689 177342161 /nfs/dbraw/zinc/34/21/61/177342161.db2.gz PUJRZYVGBHXGLF-GXFFZTMASA-N 1 0 245.370 2.121 10 0 BEAERO C[C@H]1C[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000134056951 177345477 /nfs/dbraw/zinc/34/54/77/177345477.db2.gz SXNSEWCPMHQJEH-NWDGAFQWSA-N 1 0 242.326 2.013 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000052287766 177350230 /nfs/dbraw/zinc/35/02/30/177350230.db2.gz KHNRCULBZAYDBT-KWQFWETISA-N 1 0 238.718 2.277 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000134746691 177350259 /nfs/dbraw/zinc/35/02/59/177350259.db2.gz COQVNNTWMXQORL-ONGXEEELSA-N 1 0 237.372 2.110 10 0 BEAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccco2)C1 ZINC000022221273 177358821 /nfs/dbraw/zinc/35/88/21/177358821.db2.gz VVOOBECOVUXKAR-SRVKXCTJSA-N 1 0 222.332 2.257 10 0 BEAERO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc2ccccc2n1 ZINC000335899851 177373627 /nfs/dbraw/zinc/37/36/27/177373627.db2.gz NMIQHPZFGAVQNX-FZMZJTMJSA-N 1 0 242.322 2.190 10 0 BEAERO C[C@H]1C[C@H](OC(=O)CC[NH3+])CC(C)(C)C1 ZINC000040410906 177374729 /nfs/dbraw/zinc/37/47/29/177374729.db2.gz ZNYPJDHEAFFIRF-UWVGGRQHSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@H]1Cc2cc([C@@H]3CCC[NH2+]3)ccc2O1 ZINC000082925873 177389133 /nfs/dbraw/zinc/38/91/33/177389133.db2.gz CARBANVUKKMJSG-CABZTGNLSA-N 1 0 203.285 2.435 10 0 BEAERO Cc1nc[nH]c1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000054793834 177531144 /nfs/dbraw/zinc/53/11/44/177531144.db2.gz VACFXCXUUGJGCG-MWLCHTKSSA-N 1 0 207.321 2.386 10 0 BEAERO C[C@H](N[C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400443403 226343797 /nfs/dbraw/zinc/34/37/97/226343797.db2.gz OWJPPHQJXHGZSZ-FPMFFAJLSA-N 1 0 246.354 2.240 10 0 BEAERO C[C@@H]1C[C@H](O)C[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000401482519 226358151 /nfs/dbraw/zinc/35/81/51/226358151.db2.gz ATGJDTSLAKKSKL-BNOWGMLFSA-N 1 0 231.339 2.029 10 0 BEAERO CCc1csc(N2CC[C@H]([NH3+])[C@@H](CC)C2)n1 ZINC000226036741 487654293 /nfs/dbraw/zinc/65/42/93/487654293.db2.gz JZPORROVGLLJDF-ONGXEEELSA-N 1 0 239.388 2.269 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000228479669 487656743 /nfs/dbraw/zinc/65/67/43/487656743.db2.gz HEUJRHWINFYUQD-SDDRHHMPSA-N 1 0 226.364 2.149 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000228480321 487656753 /nfs/dbraw/zinc/65/67/53/487656753.db2.gz PZHBEXWADQRZJX-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)Cc2cccs2)C1 ZINC000328367618 487671197 /nfs/dbraw/zinc/67/11/97/487671197.db2.gz RIIGIGGMUQYKGQ-NWDGAFQWSA-N 1 0 238.400 2.363 10 0 BEAERO C[N@@H+]1CCC[C@H]1CN1CCc2ccccc2C1 ZINC000205319230 487677254 /nfs/dbraw/zinc/67/72/54/487677254.db2.gz UFRIEVVMSCERPQ-HNNXBMFYSA-N 1 0 230.355 2.139 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000054074544 487680914 /nfs/dbraw/zinc/68/09/14/487680914.db2.gz SHLVTOGVMIMSRF-NWDGAFQWSA-N 1 0 234.343 2.089 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000054075128 487682369 /nfs/dbraw/zinc/68/23/69/487682369.db2.gz WLIZHOTUOYASEO-UMSGYPCISA-N 1 0 238.375 2.022 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000054075689 487683586 /nfs/dbraw/zinc/68/35/86/487683586.db2.gz XNYPQQPPALMRJS-IUCAKERBSA-N 1 0 240.734 2.125 10 0 BEAERO CC[C@H](C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000394449732 487689771 /nfs/dbraw/zinc/68/97/71/487689771.db2.gz GXJDTIAOAWKVHD-QWRGUYRKSA-N 1 0 201.354 2.419 10 0 BEAERO CC[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]1O ZINC000226280764 487706600 /nfs/dbraw/zinc/70/66/00/487706600.db2.gz SRVIHRTVXSZTSW-VXGBXAGGSA-N 1 0 225.357 2.483 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ncnn1C(C)C ZINC000233411431 487713958 /nfs/dbraw/zinc/71/39/58/487713958.db2.gz NKUSAKOAJWXHMQ-WDEREUQCSA-N 1 0 222.336 2.137 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000233414688 487713973 /nfs/dbraw/zinc/71/39/73/487713973.db2.gz OJDFWHDMWOBZDV-KBPBESRZSA-N 1 0 219.328 2.457 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ncnn1C(C)C ZINC000233417069 487714039 /nfs/dbraw/zinc/71/40/39/487714039.db2.gz NKUSAKOAJWXHMQ-QWRGUYRKSA-N 1 0 222.336 2.137 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cc1F ZINC000136302579 487723801 /nfs/dbraw/zinc/72/38/01/487723801.db2.gz IVIDZCDOGLGLMB-JTQLQIEISA-N 1 0 242.269 2.277 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCc2ccccc21 ZINC000136304141 487724491 /nfs/dbraw/zinc/72/44/91/487724491.db2.gz GORLKCSMGIFEIH-ZDUSSCGKSA-N 1 0 246.354 2.339 10 0 BEAERO Cc1cccc(N(C)C(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136448247 487736210 /nfs/dbraw/zinc/73/62/10/487736210.db2.gz PBVYALSHUGAHGN-ZDUSSCGKSA-N 1 0 234.343 2.331 10 0 BEAERO CC(=O)c1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136437775 487736272 /nfs/dbraw/zinc/73/62/72/487736272.db2.gz POGSXASGMZDMOE-ZDUSSCGKSA-N 1 0 248.326 2.201 10 0 BEAERO CCc1ccccc1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136472919 487736972 /nfs/dbraw/zinc/73/69/72/487736972.db2.gz PLHAWMFKTMNZPC-CQSZACIVSA-N 1 0 248.370 2.239 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000251585098 487772182 /nfs/dbraw/zinc/77/21/82/487772182.db2.gz CMJJXNSORNDDOW-AGIUHOORSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000251643008 487780904 /nfs/dbraw/zinc/78/09/04/487780904.db2.gz JHYNHAIQTDKNPB-RVMXOQNASA-N 1 0 238.375 2.151 10 0 BEAERO COCc1nc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cs1 ZINC000309890619 487782683 /nfs/dbraw/zinc/78/26/83/487782683.db2.gz CIWVSBJRVJYJQA-IAZYJMLFSA-N 1 0 238.356 2.178 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000666466049 487814592 /nfs/dbraw/zinc/81/45/92/487814592.db2.gz KLWQDFLJWVDLTE-ZDUSSCGKSA-N 1 0 243.354 2.352 10 0 BEAERO C[C@@H]1CCCN(c2ccc(Cl)cn2)[C@H]1C[NH3+] ZINC000252111768 487815979 /nfs/dbraw/zinc/81/59/79/487815979.db2.gz HWKVIMQKGDLMJN-KOLCDFICSA-N 1 0 239.750 2.299 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000089449478 487816389 /nfs/dbraw/zinc/81/63/89/487816389.db2.gz YOMPRQXJHQOWRJ-SKDRFNHKSA-N 1 0 236.290 2.139 10 0 BEAERO CCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089449743 487816918 /nfs/dbraw/zinc/81/69/18/487816918.db2.gz UTXKPKDRYWPUET-GXTWGEPZSA-N 1 0 246.354 2.415 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CCCCCC1 ZINC000089450410 487816923 /nfs/dbraw/zinc/81/69/23/487816923.db2.gz AZAXQBCOSFIZCE-AAEUAGOBSA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1CCCCC1 ZINC000089450481 487817797 /nfs/dbraw/zinc/81/77/97/487817797.db2.gz XEUOYCVBYPLPRL-CHWSQXEVSA-N 1 0 238.375 2.058 10 0 BEAERO CCC1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457625 487819701 /nfs/dbraw/zinc/81/97/01/487819701.db2.gz KFMJYNQBEXIPEJ-STQMWFEESA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1CCCN(c2nc3ccccc3[nH]2)[C@H]1C[NH3+] ZINC000252218476 487822902 /nfs/dbraw/zinc/82/29/02/487822902.db2.gz YJXVADPGWPLQJA-MFKMUULPSA-N 1 0 244.342 2.127 10 0 BEAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089461934 487824044 /nfs/dbraw/zinc/82/40/44/487824044.db2.gz PKWFAXRVSIEGOW-NEPJUHHUSA-N 1 0 238.375 2.010 10 0 BEAERO CCC(CC)(CC)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089482214 487826034 /nfs/dbraw/zinc/82/60/34/487826034.db2.gz OVSLVDMZMYAWEV-NWDGAFQWSA-N 1 0 240.391 2.446 10 0 BEAERO C[NH2+][C@@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC000234429205 487826518 /nfs/dbraw/zinc/82/65/18/487826518.db2.gz MEPRKLOUEQEJPV-NSHDSACASA-N 1 0 248.370 2.322 10 0 BEAERO C[C@@H](N(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000252651592 487828219 /nfs/dbraw/zinc/82/82/19/487828219.db2.gz SDTSKEUVSFDTED-QJPTWQEYSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CCOc3ccccc32)C1 ZINC000401795103 487832968 /nfs/dbraw/zinc/83/29/68/487832968.db2.gz YHIPBHHSVYZHFQ-SGMGOOAPSA-N 1 0 246.354 2.098 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000253137676 487855963 /nfs/dbraw/zinc/85/59/63/487855963.db2.gz UMYBYNCJBHUBAL-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000334163930 487859568 /nfs/dbraw/zinc/85/95/68/487859568.db2.gz ZJKHJBTXPVRQIP-LPEHRKFASA-N 1 0 227.348 2.338 10 0 BEAERO Cc1cc(C)cc(C[NH2+]CC2CC(O)C2)c1 ZINC000084446246 322960707 /nfs/dbraw/zinc/96/07/07/322960707.db2.gz ZUBKQMJTEUQUAB-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO OC1CC(C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000086333076 322962303 /nfs/dbraw/zinc/96/23/03/322962303.db2.gz BCIOGUHVKSGFIN-UHFFFAOYSA-N 1 0 231.748 2.262 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccsc1 ZINC000050344421 487944675 /nfs/dbraw/zinc/94/46/75/487944675.db2.gz PSVSZUITJZZSOU-CMPLNLGQSA-N 1 0 224.373 2.493 10 0 BEAERO C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000235430263 487957144 /nfs/dbraw/zinc/95/71/44/487957144.db2.gz CJAWCZBJODHCLG-COPLHBTASA-N 1 0 247.338 2.394 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)OC(C)(C)C ZINC000246953311 323011665 /nfs/dbraw/zinc/01/16/65/323011665.db2.gz DFGMFRKSFIJVLX-QWRGUYRKSA-N 1 0 240.347 2.090 10 0 BEAERO CC(C)CSCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562959592 323035300 /nfs/dbraw/zinc/03/53/00/323035300.db2.gz KUAHTPVJSGXZOO-STQMWFEESA-N 1 0 244.448 2.353 10 0 BEAERO COC(=O)[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160258293 323064523 /nfs/dbraw/zinc/06/45/23/323064523.db2.gz LDHROYVLZUBXTE-RYUDHWBXSA-N 1 0 235.327 2.455 10 0 BEAERO CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336758097 323081629 /nfs/dbraw/zinc/08/16/29/323081629.db2.gz KLYSJHYJJGLUPM-SDDRHHMPSA-N 1 0 217.328 2.121 10 0 BEAERO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1C ZINC000049096394 323157396 /nfs/dbraw/zinc/15/73/96/323157396.db2.gz SBJJZEMYHGHMSO-ZDUSSCGKSA-N 1 0 246.354 2.127 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1COc2ccccc21 ZINC000324430082 323167275 /nfs/dbraw/zinc/16/72/75/323167275.db2.gz PWQKNLBZHYXAGD-FZMZJTMJSA-N 1 0 249.354 2.159 10 0 BEAERO COc1cc2c(c(Br)c1)CC[C@@H]2[NH3+] ZINC000212495346 323195152 /nfs/dbraw/zinc/19/51/52/323195152.db2.gz KHXIGCPNQLUVOE-JTQLQIEISA-N 1 0 242.116 2.404 10 0 BEAERO CC[NH2+][C@H](C)CNc1cnc2ccccc2n1 ZINC000395721126 323240257 /nfs/dbraw/zinc/24/02/57/323240257.db2.gz KZWOKHRQERKNAS-SNVBAGLBSA-N 1 0 230.315 2.040 10 0 BEAERO COc1ccccc1[C@H](C)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396727753 323656271 /nfs/dbraw/zinc/65/62/71/323656271.db2.gz ZMCPVRFARAPPNX-OUCADQQQSA-N 1 0 248.370 2.486 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)cn1 ZINC000528017455 323751662 /nfs/dbraw/zinc/75/16/62/323751662.db2.gz GZLAOFRAJSJEON-FKTRJACZSA-N 1 0 240.734 2.157 10 0 BEAERO CC[C@@]1(C[NH3+])COc2cc(C)c(C)cc2O1 ZINC000536953065 323959749 /nfs/dbraw/zinc/95/97/49/323959749.db2.gz FFUOQVUSTIXMSD-CYBMUJFWSA-N 1 0 221.300 2.182 10 0 BEAERO COc1ccc([C@@H](C[NH3+])C2(CO)CCCC2)cc1 ZINC000536953815 323961355 /nfs/dbraw/zinc/96/13/55/323961355.db2.gz KBCAMUDPMRVSFA-CQSZACIVSA-N 1 0 249.354 2.290 10 0 BEAERO C[C@@H]1CC(C(=O)OC(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000536957341 323968105 /nfs/dbraw/zinc/96/81/05/323968105.db2.gz DCGYIUNGLLYYDZ-RKDXNWHRSA-N 1 0 213.321 2.105 10 0 BEAERO COc1c(C[NH2+][C@H]2CC[C@@H](C)C2)c(C)nn1C ZINC000123009536 324073592 /nfs/dbraw/zinc/07/35/92/324073592.db2.gz BCJQELRJHVHDHZ-KOLCDFICSA-N 1 0 237.347 2.015 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]Cc2cnnn2C)cc1F ZINC000123021850 324077177 /nfs/dbraw/zinc/07/71/77/324077177.db2.gz MXQIMHORCLDKGS-JTQLQIEISA-N 1 0 248.305 2.113 10 0 BEAERO C[C@@H](CO)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000123329887 324223174 /nfs/dbraw/zinc/22/31/74/324223174.db2.gz MEMLWRYNGNUMRM-IUCAKERBSA-N 1 0 225.357 2.268 10 0 BEAERO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000130600314 325071260 /nfs/dbraw/zinc/07/12/60/325071260.db2.gz JAHHEXFAYUSDDB-MGPQQGTHSA-N 1 0 243.391 2.188 10 0 BEAERO C(C[NH+]1CCCCC1)SC1CCOCC1 ZINC000130908410 325101321 /nfs/dbraw/zinc/10/13/21/325101321.db2.gz UYXFKYVTGDGKIZ-UHFFFAOYSA-N 1 0 229.389 2.385 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]CC2(O)CCC2)CC1 ZINC000131122570 325119046 /nfs/dbraw/zinc/11/90/46/325119046.db2.gz GGZVMXMHNQUMSP-NWDGAFQWSA-N 1 0 211.349 2.460 10 0 BEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CC3=CCCCC3)C[C@@H]12 ZINC000311051130 325124742 /nfs/dbraw/zinc/12/47/42/325124742.db2.gz GSLMATHKWAUADX-BFHYXJOUSA-N 1 0 248.370 2.073 10 0 BEAERO COC[C@@H](C)C[NH2+]CCc1ccccc1F ZINC000131328137 325137275 /nfs/dbraw/zinc/13/72/75/325137275.db2.gz BUHLENCFNYCOSB-NSHDSACASA-N 1 0 225.307 2.240 10 0 BEAERO COC[C@@H](C)CNc1cccc(C[NH+](C)C)c1 ZINC000131759465 325182181 /nfs/dbraw/zinc/18/21/81/325182181.db2.gz DESLLWVREXAYOW-LBPRGKRZSA-N 1 0 236.359 2.443 10 0 BEAERO COC[C@@H](C)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000131897936 325190649 /nfs/dbraw/zinc/19/06/49/325190649.db2.gz WWFKMZCGBWAISH-JTQLQIEISA-N 1 0 243.297 2.379 10 0 BEAERO C[C@H](CCn1cccn1)[NH2+]CC1(C)CCC1 ZINC000134637923 325369049 /nfs/dbraw/zinc/36/90/49/325369049.db2.gz WNKMVLVSXMNTSZ-GFCCVEGCSA-N 1 0 221.348 2.442 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000084445896 325582950 /nfs/dbraw/zinc/58/29/50/325582950.db2.gz QKLQOZPHOXVMSJ-ZBOXLXRLSA-N 1 0 205.301 2.108 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000091524809 325687370 /nfs/dbraw/zinc/68/73/70/325687370.db2.gz ANJNDMCNMVAHTE-HGMXIMQMSA-N 1 0 231.339 2.425 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CCn2ccccc2=O)o1 ZINC000211902077 487970070 /nfs/dbraw/zinc/97/00/70/487970070.db2.gz KWAZLFMNBIYZPK-LBPRGKRZSA-N 1 0 246.310 2.101 10 0 BEAERO CCc1nnc(C[NH2+][C@H](C)C2CCCC2)n1C ZINC000184646807 487970533 /nfs/dbraw/zinc/97/05/33/487970533.db2.gz VFPDJGHVGYNZFF-SNVBAGLBSA-N 1 0 236.363 2.046 10 0 BEAERO COc1cccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000567647156 326238016 /nfs/dbraw/zinc/23/80/16/326238016.db2.gz WUTOXTAPJJZQIE-NWDGAFQWSA-N 1 0 234.343 2.495 10 0 BEAERO CCCc1nsc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165739339 326426017 /nfs/dbraw/zinc/42/60/17/326426017.db2.gz JUUVEQNVJWLOHE-YUMQZZPRSA-N 1 0 228.365 2.028 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccncc1Cl ZINC000165755626 326426238 /nfs/dbraw/zinc/42/62/38/326426238.db2.gz FMFBWLHKVYPAJU-SFYZADRCSA-N 1 0 213.712 2.273 10 0 BEAERO CCCC(C)(C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000158779152 487975119 /nfs/dbraw/zinc/97/51/19/487975119.db2.gz TXRHEGQLFOYMHF-WDEREUQCSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@@H](C)N(CC)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000309590936 487990279 /nfs/dbraw/zinc/99/02/79/487990279.db2.gz UTCCJLIKIDQZPB-VXGBXAGGSA-N 1 0 226.364 2.166 10 0 BEAERO C[C@H](Cc1ccsc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396689664 487996283 /nfs/dbraw/zinc/99/62/83/487996283.db2.gz ZYTZRHSZOZFCGJ-NQBHXWOUSA-N 1 0 238.400 2.409 10 0 BEAERO C[N@@H+](Cc1ccccn1)C[C@@H]1CCC[C@@H](O)C1 ZINC000310463904 488028487 /nfs/dbraw/zinc/02/84/87/488028487.db2.gz YTMUTYRLVPSWKC-TZMCWYRMSA-N 1 0 234.343 2.065 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)CC(C)(C)[NH3+] ZINC000084184634 488034932 /nfs/dbraw/zinc/03/49/32/488034932.db2.gz IPSFKUOHNOSAOR-NSHDSACASA-N 1 0 234.343 2.300 10 0 BEAERO CC(C)(C)c1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084305486 488042366 /nfs/dbraw/zinc/04/23/66/488042366.db2.gz UEIHHONNGWBZNG-DTWKUNHWSA-N 1 0 223.320 2.210 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CNC1 ZINC000084417491 488051559 /nfs/dbraw/zinc/05/15/59/488051559.db2.gz JZFJLXALZMQUQL-KGYLQXTDSA-N 1 0 210.365 2.009 10 0 BEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CNC1 ZINC000084416995 488051578 /nfs/dbraw/zinc/05/15/78/488051578.db2.gz DONZIFXGXJWCDP-NEPJUHHUSA-N 1 0 210.365 2.153 10 0 BEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CNC1 ZINC000084417002 488051630 /nfs/dbraw/zinc/05/16/30/488051630.db2.gz DONZIFXGXJWCDP-VXGBXAGGSA-N 1 0 210.365 2.153 10 0 BEAERO CC(C)[C@@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000319544356 488058104 /nfs/dbraw/zinc/05/81/04/488058104.db2.gz NUZVFIBHNMKQTN-DGCLKSJQSA-N 1 0 218.344 2.421 10 0 BEAERO C[C@@H]1CCC[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000225423838 488077996 /nfs/dbraw/zinc/07/79/96/488077996.db2.gz ZHDNNRNPCWHUFQ-UTLUCORTSA-N 1 0 221.304 2.398 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000136125427 488082486 /nfs/dbraw/zinc/08/24/86/488082486.db2.gz UWFSZEXFNFPPEI-IKWCTNDRSA-N 1 0 238.375 2.293 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@@H]1C ZINC000389627615 488103185 /nfs/dbraw/zinc/10/31/85/488103185.db2.gz LBFATMKEMHSILQ-FDYHWXHSSA-N 1 0 211.349 2.268 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000136445585 488103597 /nfs/dbraw/zinc/10/35/97/488103597.db2.gz FMDWKXWDXKIGMO-MGPQQGTHSA-N 1 0 246.354 2.032 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CC1CCCCC1 ZINC000148570944 488103829 /nfs/dbraw/zinc/10/38/29/488103829.db2.gz KZIVVZUXXKECIH-ZDUSSCGKSA-N 1 0 240.391 2.399 10 0 BEAERO CC[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136469872 488104697 /nfs/dbraw/zinc/10/46/97/488104697.db2.gz LSEZKZRBIXGCCU-QWHCGFSZSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1O ZINC000136486842 488106019 /nfs/dbraw/zinc/10/60/19/488106019.db2.gz ZMYUGMJZWXJTDR-SNVBAGLBSA-N 1 0 236.315 2.013 10 0 BEAERO CC[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)CC(F)F ZINC000660613205 488123357 /nfs/dbraw/zinc/12/33/57/488123357.db2.gz KUVILDZRXROLMU-KXUCPTDWSA-N 1 0 221.291 2.435 10 0 BEAERO CN(CCC(C)(C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000258666706 488126229 /nfs/dbraw/zinc/12/62/29/488126229.db2.gz HTSSOBJETWOXDF-GFCCVEGCSA-N 1 0 240.391 2.271 10 0 BEAERO CC(C)=CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000397654320 488129386 /nfs/dbraw/zinc/12/93/86/488129386.db2.gz GFSZBOYHTZVMON-ZDUSSCGKSA-N 1 0 208.349 2.123 10 0 BEAERO CN(Cc1cccc2c1CC[NH2+]C2)CC(F)F ZINC000136855788 488130875 /nfs/dbraw/zinc/13/08/75/488130875.db2.gz ZDZWEHSIMOUCMR-UHFFFAOYSA-N 1 0 240.297 2.029 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382341786 487540509 /nfs/dbraw/zinc/54/05/09/487540509.db2.gz CKCBVRBLKUKZRD-NJMOYASZSA-N 1 0 209.333 2.068 10 0 BEAERO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]CC(C)(C)O ZINC000382028517 487530063 /nfs/dbraw/zinc/53/00/63/487530063.db2.gz SUIFWGMNLISPEF-QWHCGFSZSA-N 1 0 219.328 2.211 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000094647819 487548276 /nfs/dbraw/zinc/54/82/76/487548276.db2.gz SDTSKEUVSFDTED-SRVKXCTJSA-N 1 0 240.391 2.268 10 0 BEAERO Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1O ZINC000093654648 487481220 /nfs/dbraw/zinc/48/12/20/487481220.db2.gz UXWQMINZBAUBID-NSHDSACASA-N 1 0 248.326 2.029 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](C3CC3)C2)C1 ZINC000399997722 487498908 /nfs/dbraw/zinc/49/89/08/487498908.db2.gz LLXQPHIQXSUCRS-IACUBPJLSA-N 1 0 223.360 2.269 10 0 BEAERO CCc1ccccc1CC[NH2+][C@H](C)COC ZINC000381617980 487516616 /nfs/dbraw/zinc/51/66/16/487516616.db2.gz WOCQCTFSEPDHEY-GFCCVEGCSA-N 1 0 221.344 2.416 10 0 BEAERO C[N@@H+](Cc1ccoc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000381690450 487520447 /nfs/dbraw/zinc/52/04/47/487520447.db2.gz ZQUNXPUTZLELFW-DGCLKSJQSA-N 1 0 223.316 2.263 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H]2CCC23CCC3)[C@@H](C)C1 ZINC000381706754 487521271 /nfs/dbraw/zinc/52/12/71/487521271.db2.gz JMRVHPFGYYEIFG-RWMBFGLXSA-N 1 0 222.376 2.249 10 0 BEAERO c1ccc2c(c1)CC[C@@H]2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000682069214 487890997 /nfs/dbraw/zinc/89/09/97/487890997.db2.gz DAUJWGDYZJDCES-ZBFHGGJFSA-N 1 0 242.366 2.454 10 0 BEAERO Cc1cccc(C[N@H+](C)C[C@@H]2CCC[C@H](O)C2)n1 ZINC000386733520 487892524 /nfs/dbraw/zinc/89/25/24/487892524.db2.gz BGDCHCSEGQUMDH-HIFRSBDPSA-N 1 0 248.370 2.373 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000657877111 488158577 /nfs/dbraw/zinc/15/85/77/488158577.db2.gz FCTFPALYYWFOCG-GHMZBOCLSA-N 1 0 211.349 2.316 10 0 BEAERO CC1(C)CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000380075735 488171543 /nfs/dbraw/zinc/17/15/43/488171543.db2.gz JQPGCIYRTHZNSU-NEPJUHHUSA-N 1 0 211.349 2.269 10 0 BEAERO C[N@H+](CCC1CC1)C[C@H]1CCC[C@@H](O)C1 ZINC000380072973 488171783 /nfs/dbraw/zinc/17/17/83/488171783.db2.gz JFOCSQLWRVIVHF-QWHCGFSZSA-N 1 0 211.349 2.269 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CCC1 ZINC000322396268 488183852 /nfs/dbraw/zinc/18/38/52/488183852.db2.gz QHCOGVCCVGYUEI-AGIUHOORSA-N 1 0 211.349 2.458 10 0 BEAERO O[C@@H]1CCC[C@H]1[NH+]1CCC2(CCC2)CC1 ZINC000308753014 488221908 /nfs/dbraw/zinc/22/19/08/488221908.db2.gz RYUKKCGHGRSKHI-VXGBXAGGSA-N 1 0 209.333 2.166 10 0 BEAERO CC[N@H+](Cc1cncnc1)[C@@H](C)C(C)C ZINC000120687106 490067096 /nfs/dbraw/zinc/06/70/96/490067096.db2.gz 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491125175 /nfs/dbraw/zinc/12/51/75/491125175.db2.gz LJWVKZDCSZZKRB-UHFFFAOYSA-N 1 0 229.205 2.083 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000132635784 491137487 /nfs/dbraw/zinc/13/74/87/491137487.db2.gz FUNQNBQQBYYDPT-NDBYEHHHSA-N 1 0 211.349 2.458 10 0 BEAERO COC[C@H](C)[NH2+]CCCCC1CCOCC1 ZINC000300734076 491145678 /nfs/dbraw/zinc/14/56/78/491145678.db2.gz GQOHZRLOEASZBL-LBPRGKRZSA-N 1 0 229.364 2.208 10 0 BEAERO C[C@@H](C1CC1)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757134204 582510712 /nfs/dbraw/zinc/51/07/12/582510712.db2.gz WSKFFWZUIJQNCR-NSHDSACASA-N 1 0 208.349 2.003 10 0 BEAERO FC(F)[C@@H]1CC[NH2+]C2(CCCCC2)O1 ZINC000757138295 582517338 /nfs/dbraw/zinc/51/73/38/582517338.db2.gz BENXWCUUEUAMJU-QMMMGPOBSA-N 1 0 205.248 2.290 10 0 BEAERO [NH3+]C[C@H]1CCN1Cc1cc(F)ccc1Cl ZINC000757141419 582521982 /nfs/dbraw/zinc/52/19/82/582521982.db2.gz DCGGNCTUQLTDFM-SNVBAGLBSA-N 1 0 228.698 2.012 10 0 BEAERO CC1(C)CCC[C@@]2(C1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757146226 582529541 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/nfs/dbraw/zinc/60/68/30/535606830.db2.gz WWUUKOYBNJJXRX-PWSUYJOCSA-N 1 0 232.327 2.482 10 0 BEAERO CC[C@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000250748916 536116294 /nfs/dbraw/zinc/11/62/94/536116294.db2.gz ROJIYODOWIGGLR-XQQFMLRXSA-N 1 0 238.375 2.118 10 0 BEAERO Nc1[nH+]ccn1Cc1ccc(Cl)c(F)c1 ZINC000043388990 582754229 /nfs/dbraw/zinc/75/42/29/582754229.db2.gz XVAGAAUXMJKIKT-UHFFFAOYSA-N 1 0 225.654 2.306 10 0 BEAERO CCSc1ccc(C[NH2+][C@@H](C)CO)cc1 ZINC000098125015 517749550 /nfs/dbraw/zinc/74/95/50/517749550.db2.gz JWWNXVXSVXEWQM-JTQLQIEISA-N 1 0 225.357 2.269 10 0 BEAERO CCC[N@@H+]1CC[C@H](CC(=O)OC)C[C@H]1C ZINC000252474877 519862019 /nfs/dbraw/zinc/86/20/19/519862019.db2.gz NXCIAWKRAIRJEC-MNOVXSKESA-N 1 0 213.321 2.060 10 0 BEAERO CCCCC[N@H+](C)C[C@H](O)c1cccc(N)c1 ZINC000001851775 520151561 /nfs/dbraw/zinc/15/15/61/520151561.db2.gz MXUBNUMMIHAQBF-AWEZNQCLSA-N 1 0 236.359 2.424 10 0 BEAERO CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251101762 534613702 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/nfs/dbraw/zinc/17/46/71/527174671.db2.gz ZYTQCHLTCWIGNR-UHFFFAOYSA-N 1 0 248.370 2.255 10 0 BEAERO COC[C@@H](C)[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000173983835 536550574 /nfs/dbraw/zinc/55/05/74/536550574.db2.gz SMXBTWSSHVBAFH-OLZOCXBDSA-N 1 0 248.370 2.235 10 0 BEAERO CCC(CC)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259085726 535003756 /nfs/dbraw/zinc/00/37/56/535003756.db2.gz JHKLDYOWBSWCFS-NSHDSACASA-N 1 0 226.364 2.008 10 0 BEAERO CCCCCC[C@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188198922 535005869 /nfs/dbraw/zinc/00/58/69/535005869.db2.gz JTJLORRDBWFIIS-SDDRHHMPSA-N 1 0 244.354 2.162 10 0 BEAERO CCCNC(=O)CC[NH2+][C@H]1CC[C@H](CC)C1 ZINC000070762285 535050780 /nfs/dbraw/zinc/05/07/80/535050780.db2.gz GBQMZZRQFNWZIP-RYUDHWBXSA-N 1 0 226.364 2.071 10 0 BEAERO CCC[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC000072417531 535157267 /nfs/dbraw/zinc/15/72/67/535157267.db2.gz FMBICLBICNAOGJ-UHFFFAOYSA-N 1 0 246.354 2.356 10 0 BEAERO CCC[NH2+]C1CCN(c2cccnc2)CC1 ZINC000037240259 535158170 /nfs/dbraw/zinc/15/81/70/535158170.db2.gz HAYHUDTUFZUZLJ-UHFFFAOYSA-N 1 0 219.332 2.050 10 0 BEAERO CCC[NH2+][C@@H](C)[C@@H]1CCCN(c2ncccn2)C1 ZINC000104418828 535186882 /nfs/dbraw/zinc/18/68/82/535186882.db2.gz BQHOBBBPNFMBHR-QWHCGFSZSA-N 1 0 248.374 2.081 10 0 BEAERO CC1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCCC1 ZINC000261563281 535277763 /nfs/dbraw/zinc/27/77/63/535277763.db2.gz WXHLCDWVDNNGQB-LLVKDONJSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226587813 535305448 /nfs/dbraw/zinc/30/54/48/535305448.db2.gz CDUJPAWRSSODBD-MELADBBJSA-N 1 0 242.407 2.120 10 0 BEAERO CCOc1cccc(N2CCC[C@@H]([NH3+])C2)c1 ZINC000043471194 535467714 /nfs/dbraw/zinc/46/77/14/535467714.db2.gz KAMKAUXHYULCAK-LLVKDONJSA-N 1 0 220.316 2.013 10 0 BEAERO CCNc1cc(CC)[nH+]c(N2CCCCC2)n1 ZINC000050851268 535520749 /nfs/dbraw/zinc/52/07/49/535520749.db2.gz MGUCOWSKIIEAEQ-UHFFFAOYSA-N 1 0 234.347 2.461 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC000177025947 535544587 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/nfs/dbraw/zinc/16/19/45/536161945.db2.gz MYEPDJAXCNFXHS-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO CC[C@H](Cn1cc[nH+]c1N)CC(F)(F)F ZINC000702554699 582927102 /nfs/dbraw/zinc/92/71/02/582927102.db2.gz CNKJELSOOUNBFQ-ZETCQYMHSA-N 1 0 221.226 2.444 10 0 BEAERO C[NH2+][C@H](C)CN1c2ccccc2CC[C@@H]1C ZINC000044471794 536389604 /nfs/dbraw/zinc/38/96/04/536389604.db2.gz LTMAYAVVXUAUGQ-NEPJUHHUSA-N 1 0 218.344 2.436 10 0 BEAERO C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCCC(F)(F)C1 ZINC000261538210 536458700 /nfs/dbraw/zinc/45/87/00/536458700.db2.gz SHSNVGWNJXGSBF-NEPJUHHUSA-N 1 0 246.345 2.496 10 0 BEAERO COc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136291347 536780715 /nfs/dbraw/zinc/78/07/15/536780715.db2.gz INMCOESZYSNLGO-LBPRGKRZSA-N 1 0 236.315 2.007 10 0 BEAERO COCC[NH2+][C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000216273859 536895477 /nfs/dbraw/zinc/89/54/77/536895477.db2.gz XADCLUFCSDNDNP-MLGHIDQZSA-N 1 0 209.333 2.047 10 0 BEAERO CC(C)c1nc([C@@H]2CCCCC[NH2+]2)n(C)n1 ZINC000080989971 538116551 /nfs/dbraw/zinc/11/65/51/538116551.db2.gz FVASQBRMZOHILJ-JTQLQIEISA-N 1 0 222.336 2.143 10 0 BEAERO COC[C@H](C)[C@@H]1[NH2+]CCc2sccc21 ZINC000307014146 566277475 /nfs/dbraw/zinc/27/74/75/566277475.db2.gz OSJBAQXJMBWONK-KWQFWETISA-N 1 0 211.330 2.217 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000725264349 566309644 /nfs/dbraw/zinc/30/96/44/566309644.db2.gz IJJZVXMAGYITHS-OBJOEFQTSA-N 1 0 238.375 2.295 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000725264350 566309668 /nfs/dbraw/zinc/30/96/68/566309668.db2.gz IJJZVXMAGYITHS-OUCADQQQSA-N 1 0 238.375 2.295 10 0 BEAERO [NH3+]C[C@](O)(C1CCC(F)(F)CC1)C(F)(F)F ZINC000675052915 566412225 /nfs/dbraw/zinc/41/22/25/566412225.db2.gz ITIWUOXCLSTRRZ-QMMMGPOBSA-N 1 0 247.207 2.064 10 0 BEAERO CC[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H](CC)O1 ZINC000398581556 583144769 /nfs/dbraw/zinc/14/47/69/583144769.db2.gz MIEBNOIMWPTYFX-REWJHTLYSA-N 1 0 240.391 2.016 10 0 BEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C)cc1 ZINC000111272208 588738387 /nfs/dbraw/zinc/73/83/87/588738387.db2.gz AVEFDMKYZOPCBA-TZMCWYRMSA-N 1 0 246.354 2.203 10 0 BEAERO CC(=O)C1CC[NH+](CCOCCC(C)C)CC1 ZINC000111690815 588767340 /nfs/dbraw/zinc/76/73/40/588767340.db2.gz UXMLKCLQVNJYTE-UHFFFAOYSA-N 1 0 241.375 2.350 10 0 BEAERO FC(F)(F)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000214274365 582457896 /nfs/dbraw/zinc/45/78/96/582457896.db2.gz MYLHWAPUKOBFOT-SECBINFHSA-N 1 0 201.191 2.436 10 0 BEAERO Cc1nc(C(=O)C(C)(C)C)sc1CC[NH3+] ZINC000757122679 582497720 /nfs/dbraw/zinc/49/77/20/582497720.db2.gz FAZHEZIEOBINQE-UHFFFAOYSA-N 1 0 226.345 2.182 10 0 BEAERO C[C@H]1CC[C@@]2(CCCN2CC(F)(F)F)C[NH2+]1 ZINC000757125235 582500283 /nfs/dbraw/zinc/50/02/83/582500283.db2.gz DFJYGFKYGROJQK-UWVGGRQHSA-N 1 0 236.281 2.155 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757126930 582501164 /nfs/dbraw/zinc/50/11/64/582501164.db2.gz HTGBPBRGLLGVKY-JSGCOSHPSA-N 1 0 222.376 2.345 10 0 BEAERO CCCC[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129432 582504026 /nfs/dbraw/zinc/50/40/26/582504026.db2.gz LNMPZGXVOHDALU-CQSZACIVSA-N 1 0 222.376 2.347 10 0 BEAERO C[C@@H](CNc1ccc2c(c1)CCN2C)[NH+](C)C ZINC000757129202 582504552 /nfs/dbraw/zinc/50/45/52/582504552.db2.gz KXIOFDZNHSHQTI-NSHDSACASA-N 1 0 233.359 2.041 10 0 BEAERO C[NH2+]Cc1sc([C@@H](O)C2(C)CC2)nc1C ZINC000757130739 582504616 /nfs/dbraw/zinc/50/46/16/582504616.db2.gz QPBDLEJHADEACT-SECBINFHSA-N 1 0 226.345 2.004 10 0 BEAERO CC[C@H](C)[C@@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757132487 582506907 /nfs/dbraw/zinc/50/69/07/582506907.db2.gz TZCCWXWAQQAILO-OIBJUYFYSA-N 1 0 228.361 2.250 10 0 BEAERO CCC1(CC)CC[NH2+]C2(CCOCC2)O1 ZINC000757139344 582519811 /nfs/dbraw/zinc/51/98/11/582519811.db2.gz GWIXILRPLJTMMT-UHFFFAOYSA-N 1 0 213.321 2.062 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000757140681 582520691 /nfs/dbraw/zinc/52/06/91/582520691.db2.gz OBQKMZLCRJMRGP-PWSUYJOCSA-N 1 0 249.310 2.037 10 0 BEAERO CC(C)[C@@H]1O[C@@]2(COC(C)(C)C2)[NH2+]CC12CC2 ZINC000757141127 582521522 /nfs/dbraw/zinc/52/15/22/582521522.db2.gz JJFDEMSLZHTIBY-FZMZJTMJSA-N 1 0 239.359 2.306 10 0 BEAERO CC(C)[C@@H]1O[C@]2(CCCOCC2)[NH2+]CC12CC2 ZINC000757141705 582522238 /nfs/dbraw/zinc/52/22/38/582522238.db2.gz JUXMIYZKUMTPPL-JSGCOSHPSA-N 1 0 239.359 2.308 10 0 BEAERO C[C@@H]1C[C@H](C)NC2(CC(C)(C)[NH2+]C(C)(C)C2)O1 ZINC000757144990 582526150 /nfs/dbraw/zinc/52/61/50/582526150.db2.gz HMTXQMSQAKHVJY-WDEREUQCSA-N 1 0 240.391 2.410 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+][C@@]2(CCCOCC2)OC1 ZINC000757145211 582527097 /nfs/dbraw/zinc/52/70/97/582527097.db2.gz HYIFBFCXUYOUHG-YPMHNXCESA-N 1 0 227.348 2.165 10 0 BEAERO CCC[C@@H]1CCOC2(CCSCC2)[NH2+]1 ZINC000757146970 582530206 /nfs/dbraw/zinc/53/02/06/582530206.db2.gz ROEYPVGJRQVPCT-SNVBAGLBSA-N 1 0 215.362 2.388 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757147009 582530902 /nfs/dbraw/zinc/53/09/02/582530902.db2.gz KVOFHPAFHGPYTP-SNVBAGLBSA-N 1 0 231.286 2.048 10 0 BEAERO CCC1(CC)O[C@@]2(CCOC2)[NH2+]CC1(C)C ZINC000757148822 582533222 /nfs/dbraw/zinc/53/32/22/582533222.db2.gz VNGYOJGYURGCAA-CYBMUJFWSA-N 1 0 227.348 2.308 10 0 BEAERO CC(C)[C@@H]1[NH2+]C2(CCOCC2)OCC12CCC2 ZINC000757150122 582534143 /nfs/dbraw/zinc/53/41/43/582534143.db2.gz XAPBUGKCMANTML-LBPRGKRZSA-N 1 0 239.359 2.308 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757153458 582538407 /nfs/dbraw/zinc/53/84/07/582538407.db2.gz VXUBSTVFXHFCLB-SNVBAGLBSA-N 1 0 231.286 2.190 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+][C@]2(CCSC2)OC1 ZINC000757153830 582539184 /nfs/dbraw/zinc/53/91/84/582539184.db2.gz XWRRCTZSSGLIGK-MWLCHTKSSA-N 1 0 215.362 2.102 10 0 BEAERO Cc1cc(C[C@@H](O)C(C)(C)[NH3+])ccc1Cl ZINC000757158527 582540476 /nfs/dbraw/zinc/54/04/76/582540476.db2.gz NXDFTGKPEOGZPR-LLVKDONJSA-N 1 0 227.735 2.289 10 0 BEAERO C[NH2+][C@H](C)[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757158635 582540571 /nfs/dbraw/zinc/54/05/71/582540571.db2.gz OETXLLIJTMSYNY-SKDRFNHKSA-N 1 0 227.735 2.160 10 0 BEAERO [NH3+][C@H]1CCOC[C@@H]1SCc1ccc(Cl)o1 ZINC000757171608 582551263 /nfs/dbraw/zinc/55/12/63/582551263.db2.gz UVFIDVWSXTWAMS-IUCAKERBSA-N 1 0 247.747 2.282 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](CO)SCc1ccc(Cl)o1 ZINC000757172007 582551299 /nfs/dbraw/zinc/55/12/99/582551299.db2.gz WRMBZMMRRZSIDQ-RKDXNWHRSA-N 1 0 249.763 2.264 10 0 BEAERO C[C@H]1Oc2ccc(C(F)(F)F)cc2[C@H]1[NH3+] ZINC000757176068 582552247 /nfs/dbraw/zinc/55/22/47/582552247.db2.gz ZIMGLRZZTDNXFQ-ANLVUFKYSA-N 1 0 217.190 2.486 10 0 BEAERO Cc1nn(C)c2sc([C@@H]3CCC[NH2+]C3)cc12 ZINC000757216018 582560919 /nfs/dbraw/zinc/56/09/19/582560919.db2.gz OZANOWXUVKWULL-SECBINFHSA-N 1 0 235.356 2.410 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](c1ccccn1)CC2 ZINC000236044831 582637842 /nfs/dbraw/zinc/63/78/42/582637842.db2.gz ULLDCOPUYIYRAT-LLVKDONJSA-N 1 0 214.272 2.143 10 0 BEAERO C[C@H](Cn1cc[nH+]c1N)c1ccccc1 ZINC000040240767 582675603 /nfs/dbraw/zinc/67/56/03/582675603.db2.gz RKHKNJCXOWEORF-SNVBAGLBSA-N 1 0 201.273 2.269 10 0 BEAERO C[C@@H](Cn1cc[nH+]c1N)c1ccccc1 ZINC000040240766 582675663 /nfs/dbraw/zinc/67/56/63/582675663.db2.gz RKHKNJCXOWEORF-JTQLQIEISA-N 1 0 201.273 2.269 10 0 BEAERO Cc1cc2c(ncnc2N[C@@H]2CCC[NH2+]C2)s1 ZINC000104345999 582793055 /nfs/dbraw/zinc/79/30/55/582793055.db2.gz BGWLDCJDLINIGV-SECBINFHSA-N 1 0 248.355 2.164 10 0 BEAERO CC(C)c1ccc(C[NH2+][C@H](C(N)=O)C(C)C)cc1 ZINC000107323155 582805534 /nfs/dbraw/zinc/80/55/34/582805534.db2.gz DWPQGYLNKJQPTB-AWEZNQCLSA-N 1 0 248.370 2.410 10 0 BEAERO CSC1([C@@H]2[NH2+]CCc3ccoc32)CC1 ZINC000701384569 582916261 /nfs/dbraw/zinc/91/62/61/582916261.db2.gz GQCQHKDGJXFZMO-SNVBAGLBSA-N 1 0 209.314 2.362 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000393736915 582921728 /nfs/dbraw/zinc/92/17/28/582921728.db2.gz CLMBWRKXTQDPKU-GXFFZTMASA-N 1 0 222.332 2.018 10 0 BEAERO Cc1nc(C(=O)C[C@H]2CCC[NH2+]2)sc1C ZINC000702033232 582923371 /nfs/dbraw/zinc/92/33/71/582923371.db2.gz RAARUJWUZIOCSR-SECBINFHSA-N 1 0 224.329 2.085 10 0 BEAERO CC(C)(CC(F)F)Cn1cc[nH+]c1N ZINC000702584342 582927072 /nfs/dbraw/zinc/92/70/72/582927072.db2.gz TUSUJJQGXGRURJ-UHFFFAOYSA-N 1 0 203.236 2.147 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1N(C)C1CCCCC1 ZINC000396721493 583089408 /nfs/dbraw/zinc/08/94/08/583089408.db2.gz UDVHILGGRQWVIK-YPMHNXCESA-N 1 0 210.365 2.391 10 0 BEAERO CC1(C)C[C@]2(CO1)[NH2+]CCc1sccc12 ZINC000397176344 583098394 /nfs/dbraw/zinc/09/83/94/583098394.db2.gz GSWJGOLRVVDQGS-GFCCVEGCSA-N 1 0 223.341 2.288 10 0 BEAERO CCn1cncc1[C@@H]1[NH2+]CCc2sccc21 ZINC000397165285 583098658 /nfs/dbraw/zinc/09/86/58/583098658.db2.gz ZQUCHQFCGVRNQP-GFCCVEGCSA-N 1 0 233.340 2.200 10 0 BEAERO CC[C@H]([NH3+])C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757151685 586429565 /nfs/dbraw/zinc/42/95/65/586429565.db2.gz JGTRSSNYWKSACY-NSHDSACASA-N 1 0 225.719 2.497 10 0 BEAERO [NH3+]C[C@@H]1OCC[C@@]12CCC[C@@H](C(F)(F)F)C2 ZINC000757206747 586437546 /nfs/dbraw/zinc/43/75/46/586437546.db2.gz BMZFLCBHUNHDRF-KXUCPTDWSA-N 1 0 237.265 2.473 10 0 BEAERO CC1(c2ccc([C@@H]3C[C@H]([NH3+])CC[NH2+]3)cc2)CC1 ZINC000757206832 586437595 /nfs/dbraw/zinc/43/75/95/586437595.db2.gz APUZASJUJHXWRQ-KGLIPLIRSA-N 1 0 230.355 2.490 10 0 BEAERO Cc1ccc(N)cc1[C@H]1CC[C@H](C)[NH2+]C1 ZINC000757210095 586438225 /nfs/dbraw/zinc/43/82/25/586438225.db2.gz AHVQEQYFZPWCEJ-QWRGUYRKSA-N 1 0 204.317 2.433 10 0 BEAERO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](C[C@H]1[NH3+])C2 ZINC000757215671 586440735 /nfs/dbraw/zinc/44/07/35/586440735.db2.gz WQDIHROZPDIYBB-CWSCBRNRSA-N 1 0 240.347 2.029 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1c1ccc(C=O)s1 ZINC000757215865 586440816 /nfs/dbraw/zinc/44/08/16/586440816.db2.gz OIGWJAXVQLLGBB-PSASIEDQSA-N 1 0 209.314 2.274 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(C=O)s2)C1 ZINC000757215377 586440891 /nfs/dbraw/zinc/44/08/91/586440891.db2.gz NVHLMTUUATWHIS-BDAKNGLRSA-N 1 0 209.314 2.274 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1c1cccc(C=O)c1 ZINC000757217180 586441042 /nfs/dbraw/zinc/44/10/42/586441042.db2.gz RGVZKPFQSVWCBM-GWCFXTLKSA-N 1 0 203.285 2.212 10 0 BEAERO [NH3+][C@H]1CCCN[C@H]1c1cscc1C(F)F ZINC000757230011 586442192 /nfs/dbraw/zinc/44/21/92/586442192.db2.gz FTFHRDYORXMPER-IUCAKERBSA-N 1 0 232.299 2.438 10 0 BEAERO CCOC(=O)[C@H]1CC[C@H](c2ccsc2)[NH2+]C1 ZINC000757219356 586442399 /nfs/dbraw/zinc/44/23/99/586442399.db2.gz YETYJJCYMAYTKL-GXSJLCMTSA-N 1 0 239.340 2.352 10 0 BEAERO [NH3+][C@@H]1CCN[C@@H](c2cscc2C(F)F)C1 ZINC000757232403 586443020 /nfs/dbraw/zinc/44/30/20/586443020.db2.gz IEDPIXRQHXVBFC-HZGVNTEJSA-N 1 0 232.299 2.438 10 0 BEAERO [NH3+][C@@H]1CC[C@H](c2cscc2C(F)F)NC1 ZINC000757238566 586444314 /nfs/dbraw/zinc/44/43/14/586444314.db2.gz STKGWHXSWJJGSY-HZGVNTEJSA-N 1 0 232.299 2.438 10 0 BEAERO CCC[N@@H+]1CCC=C(C2=CCOCC2)C1 ZINC000757568690 586462123 /nfs/dbraw/zinc/46/21/23/586462123.db2.gz RVFMFLJYYMCPNI-UHFFFAOYSA-N 1 0 207.317 2.375 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](C2=CCOCC2)C1 ZINC000757569003 586462152 /nfs/dbraw/zinc/46/21/52/586462152.db2.gz UONJHUUJBBXYEH-CYBMUJFWSA-N 1 0 209.333 2.454 10 0 BEAERO CCOc1cc(F)ccc1-c1[nH+]ccc(N)c1N ZINC000757573092 586463030 /nfs/dbraw/zinc/46/30/30/586463030.db2.gz XOEFPNUHNHXXRB-UHFFFAOYSA-N 1 0 247.273 2.451 10 0 BEAERO C[C@H]([NH3+])CCc1nc(-c2cccc(F)c2)no1 ZINC000109504227 588563724 /nfs/dbraw/zinc/56/37/24/588563724.db2.gz ZXGJLIHDTZBKQB-QMMMGPOBSA-N 1 0 235.262 2.156 10 0 BEAERO CC(C)CCCC[NH2+]Cc1ccnn1C ZINC000118906412 589204348 /nfs/dbraw/zinc/20/43/48/589204348.db2.gz YFNPPOVKZYLOLE-UHFFFAOYSA-N 1 0 209.337 2.336 10 0 BEAERO CC[C@H]([NH2+]CC(OC)OC)c1ccccc1F ZINC000122502355 589595293 /nfs/dbraw/zinc/59/52/93/589595293.db2.gz WZIUGYOMJSGBEJ-LBPRGKRZSA-N 1 0 241.306 2.485 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCO[C@@H]2C)c(C)o1 ZINC000123716214 589776562 /nfs/dbraw/zinc/77/65/62/589776562.db2.gz CPLGLKZUHKNADP-PWSUYJOCSA-N 1 0 209.289 2.163 10 0 BEAERO C[C@H]([NH3+])CN(C)c1nccc2ccccc21 ZINC000123806099 589822750 /nfs/dbraw/zinc/82/27/50/589822750.db2.gz MODTXAGAIZSVLY-JTQLQIEISA-N 1 0 215.300 2.018 10 0 BEAERO CCC[C@H](C)C[NH2+]CC(C)(C)N1CCOCC1 ZINC000020120752 590076869 /nfs/dbraw/zinc/07/68/69/590076869.db2.gz XDITYUHCWIESMU-ZDUSSCGKSA-N 1 0 242.407 2.123 10 0 BEAERO CC(C)CC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000020245963 590092531 /nfs/dbraw/zinc/09/25/31/590092531.db2.gz YQGUZDBYIJRFIX-UHFFFAOYSA-N 1 0 244.342 2.403 10 0 BEAERO CC(C)c1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000021020615 590164130 /nfs/dbraw/zinc/16/41/30/590164130.db2.gz FEIQPZJZRAOOJD-UHFFFAOYSA-N 1 0 217.272 2.319 10 0 BEAERO C[NH2+]CCc1noc(CC2CCCCCC2)n1 ZINC000126221545 590255241 /nfs/dbraw/zinc/25/52/41/590255241.db2.gz XOJAIBGVGWDLBV-UHFFFAOYSA-N 1 0 237.347 2.344 10 0 BEAERO CS[C@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000126271617 590262842 /nfs/dbraw/zinc/26/28/42/590262842.db2.gz KPCUQVUDNLEFEO-NEPJUHHUSA-N 1 0 239.388 2.102 10 0 BEAERO CC[C@H]([NH2+]Cc1ccoc1)[C@H]1CCCO1 ZINC000126312302 590272597 /nfs/dbraw/zinc/27/25/97/590272597.db2.gz VQYBROFGLVJERR-NWDGAFQWSA-N 1 0 209.289 2.327 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1Nc1cncc(Cl)n1 ZINC000126500426 590322440 /nfs/dbraw/zinc/32/24/40/590322440.db2.gz JPFUWTCCDAKTQP-BDAKNGLRSA-N 1 0 240.738 2.059 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@H]1Nc1cncc(Cl)n1 ZINC000126500668 590322531 /nfs/dbraw/zinc/32/25/31/590322531.db2.gz JPFUWTCCDAKTQP-DTWKUNHWSA-N 1 0 240.738 2.059 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1cncc(Cl)n1 ZINC000126510839 590323584 /nfs/dbraw/zinc/32/35/84/590323584.db2.gz TYTKXRSZWFGCAS-MRVPVSSYSA-N 1 0 228.727 2.059 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]CC[S@](C)=O)CC(C)(C)C1 ZINC000126871645 590478387 /nfs/dbraw/zinc/47/83/87/590478387.db2.gz WSJCJBARMXTTEG-UEKVPHQBSA-N 1 0 231.405 2.169 10 0 BEAERO C[C@H]1CCCCN1CC[NH2+][C@@H]1CCCSC1 ZINC000128244197 590949748 /nfs/dbraw/zinc/94/97/48/590949748.db2.gz GYZFIKILZAGKSO-QWHCGFSZSA-N 1 0 242.432 2.346 10 0 BEAERO CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000128888867 591176504 /nfs/dbraw/zinc/17/65/04/591176504.db2.gz KHPCGTHWKFFNSO-WDEREUQCSA-N 1 0 222.336 2.137 10 0 BEAERO CC[C@H]1C[C@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000211602758 591207641 /nfs/dbraw/zinc/20/76/41/591207641.db2.gz WIHMINITZZPBMJ-MNOVXSKESA-N 1 0 242.363 2.371 10 0 BEAERO CCCc1nsc(N[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000129536258 591321597 /nfs/dbraw/zinc/32/15/97/591321597.db2.gz BKKNSTXOFXQFNT-IUCAKERBSA-N 1 0 240.376 2.043 10 0 BEAERO CCc1cnccc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000129845590 591415005 /nfs/dbraw/zinc/41/50/05/591415005.db2.gz JLBUHXDACDUNOK-NSHDSACASA-N 1 0 244.298 2.119 10 0 BEAERO CCCCC[C@H](C)[NH2+]CCCn1ccnn1 ZINC000130074052 591433916 /nfs/dbraw/zinc/43/39/16/591433916.db2.gz DWTAXBLPEWGHJP-LBPRGKRZSA-N 1 0 224.352 2.227 10 0 BEAERO CCC[C@H](OC)c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000131978669 591682248 /nfs/dbraw/zinc/68/22/48/591682248.db2.gz PVYRLQOIHMOBMU-UWVGGRQHSA-N 1 0 239.319 2.024 10 0 BEAERO Cc1occc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000131974659 591682526 /nfs/dbraw/zinc/68/25/26/591682526.db2.gz WJDFQQLUMFJQGV-VIFPVBQESA-N 1 0 233.271 2.105 10 0 BEAERO FC(F)(F)SCC[NH2+][C@@H]1CCCOC1 ZINC000132471638 591711914 /nfs/dbraw/zinc/71/19/14/591711914.db2.gz LBEOBQYUIAJCQP-SSDOTTSWSA-N 1 0 229.267 2.008 10 0 BEAERO CC(C)COCC[NH2+][C@@H](C)c1cncs1 ZINC000132895063 591747135 /nfs/dbraw/zinc/74/71/35/591747135.db2.gz CNKGFNGLEODUSC-JTQLQIEISA-N 1 0 228.361 2.466 10 0 BEAERO CCCCCCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000133697475 591848607 /nfs/dbraw/zinc/84/86/07/591848607.db2.gz RCVPBLWJTVYYLC-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO CCCCCCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000133697069 591848628 /nfs/dbraw/zinc/84/86/28/591848628.db2.gz RCVPBLWJTVYYLC-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO CCCCCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000133696472 591848718 /nfs/dbraw/zinc/84/87/18/591848718.db2.gz JFGFWLKOWULNCY-NEPJUHHUSA-N 1 0 226.364 2.214 10 0 BEAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)C1CC1 ZINC000134373596 591922959 /nfs/dbraw/zinc/92/29/59/591922959.db2.gz OWHPTFPFOGVBDZ-OLZOCXBDSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H](CSC(C)(C)C)[NH2+]C1(CO)CC1 ZINC000134514172 591932403 /nfs/dbraw/zinc/93/24/03/591932403.db2.gz WDGFWGWYNSXUKR-VIFPVBQESA-N 1 0 217.378 2.021 10 0 BEAERO Cc1cc(C[NH2+]C2(CO)CC2)ccc1Cl ZINC000134656411 591944726 /nfs/dbraw/zinc/94/47/26/591944726.db2.gz KPWZYXVTHQAABI-UHFFFAOYSA-N 1 0 225.719 2.263 10 0 BEAERO Cc1cc(C[NH2+]CC[S@](C)=O)ccc1Cl ZINC000134653865 591945155 /nfs/dbraw/zinc/94/51/55/591945155.db2.gz KTPITVQUYDSFSD-OAHLLOKOSA-N 1 0 245.775 2.117 10 0 BEAERO C[C@@H](C[NH2+][C@@H]1CCCSC1)Cn1ccnc1 ZINC000134805588 591950700 /nfs/dbraw/zinc/95/07/00/591950700.db2.gz ZGIGVEFGTSLZKW-NWDGAFQWSA-N 1 0 239.388 2.004 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000135286592 592002966 /nfs/dbraw/zinc/00/29/66/592002966.db2.gz MRNOHURODHDYIG-ZDUSSCGKSA-N 1 0 240.391 2.400 10 0 BEAERO OCC1(C[NH2+]Cc2cncc3ccccc32)CC1 ZINC000135380662 592010932 /nfs/dbraw/zinc/01/09/32/592010932.db2.gz BJAHXNOGVMMFFI-UHFFFAOYSA-N 1 0 242.322 2.097 10 0 BEAERO C[C@@H](CCO)C[NH2+]Cc1cncc2ccccc21 ZINC000135380536 592011240 /nfs/dbraw/zinc/01/12/40/592011240.db2.gz HMJPHYLAHODJNP-LBPRGKRZSA-N 1 0 244.338 2.343 10 0 BEAERO CC[C@H](CO)[NH2+]Cc1cncc2ccccc21 ZINC000135753061 592045154 /nfs/dbraw/zinc/04/51/54/592045154.db2.gz IZYOTASSSNITHG-CYBMUJFWSA-N 1 0 230.311 2.095 10 0 BEAERO C[C@@H](O)C[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000136406265 592116931 /nfs/dbraw/zinc/11/69/31/592116931.db2.gz YODXONSXSLZBRH-NWDGAFQWSA-N 1 0 244.338 2.484 10 0 BEAERO CCN(C(=O)C[C@@H]([NH3+])C1CC1)c1ccc(C)cc1 ZINC000137386223 592176100 /nfs/dbraw/zinc/17/61/00/592176100.db2.gz GREGZYODTITEEI-CQSZACIVSA-N 1 0 246.354 2.475 10 0 BEAERO CCOC1CC([NH2+][C@@H](C)c2nccnc2C)C1 ZINC000219278460 592221699 /nfs/dbraw/zinc/22/16/99/592221699.db2.gz WRGIIKFMVWCWAI-UNXYVOJBSA-N 1 0 235.331 2.003 10 0 BEAERO CCOC1CC([NH2+][C@H](C)c2cncs2)C1 ZINC000219279826 592221724 /nfs/dbraw/zinc/22/17/24/592221724.db2.gz DBYPANBZXVKFPT-XNWIYYODSA-N 1 0 226.345 2.361 10 0 BEAERO CCOC1CC([NH2+][C@H](C)c2nccnc2C)C1 ZINC000219278488 592221758 /nfs/dbraw/zinc/22/17/58/592221758.db2.gz WRGIIKFMVWCWAI-VOMCLLRMSA-N 1 0 235.331 2.003 10 0 BEAERO C[C@@H]1CCC[C@H]1c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000300241543 592505982 /nfs/dbraw/zinc/50/59/82/592505982.db2.gz MRJSBCIDXVMKTO-OUAUKWLOSA-N 1 0 235.331 2.440 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000300459671 592513188 /nfs/dbraw/zinc/51/31/88/592513188.db2.gz RKINVBQNCWSFGH-LPEHRKFASA-N 1 0 235.331 2.426 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000300733150 592518454 /nfs/dbraw/zinc/51/84/54/592518454.db2.gz OGYLCQFFOPIRQG-MJBXVCDLSA-N 1 0 246.354 2.210 10 0 BEAERO CC1(C)COC[C@H]1[NH2+][C@H]1COc2ccccc21 ZINC000313020101 634439323 /nfs/dbraw/zinc/43/93/23/634439323.db2.gz ZZUSAORJZNNUNC-WCQYABFASA-N 1 0 233.311 2.135 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCC(C)(C)C ZINC000313465887 634463693 /nfs/dbraw/zinc/46/36/93/634463693.db2.gz CJUKCNRCXWHTML-RYUDHWBXSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000335914091 634546781 /nfs/dbraw/zinc/54/67/81/634546781.db2.gz TVUXZKXNQZNDON-ONGXEEELSA-N 1 0 207.321 2.421 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2ccoc2)C1 ZINC000165728159 635251123 /nfs/dbraw/zinc/25/11/23/635251123.db2.gz YWZJFIGLAITSNQ-YPMHNXCESA-N 1 0 222.332 2.098 10 0 BEAERO CC[N@H+](CCC(=O)C(C)(C)C)C[C@@H]1CCCO1 ZINC000054026572 635326290 /nfs/dbraw/zinc/32/62/90/635326290.db2.gz TVAUBNMYZOCELI-LBPRGKRZSA-N 1 0 241.375 2.493 10 0 BEAERO CCC[C@H](C)C[NH2+]CCN(C)C(C)C ZINC000054111023 635392036 /nfs/dbraw/zinc/39/20/36/635392036.db2.gz IXCWHPWUEKUXBA-LBPRGKRZSA-N 1 0 200.370 2.352 10 0 BEAERO CC1(C)C[C@H]1c1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000225473403 635410255 /nfs/dbraw/zinc/41/02/55/635410255.db2.gz CYPOYNMWRGZDHF-QPUJVOFHSA-N 1 0 221.304 2.182 10 0 BEAERO OC1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC000227656387 635453263 /nfs/dbraw/zinc/45/32/63/635453263.db2.gz JLGSEQYTGRTMDV-UHFFFAOYSA-N 1 0 233.355 2.370 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000082644575 631410498 /nfs/dbraw/zinc/41/04/98/631410498.db2.gz AFHZOGSYMSTZRH-GFAPAMAISA-N 1 0 201.697 2.040 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C[Si](C)(C)C ZINC000247413020 631431296 /nfs/dbraw/zinc/43/12/96/631431296.db2.gz QFWHMZDEYUUIFP-RYUDHWBXSA-N 1 0 226.440 2.032 10 0 BEAERO Cc1nc(C[NH2+]C(C)(C)[C@H](C)O)sc1C ZINC000128295303 631458474 /nfs/dbraw/zinc/45/84/74/631458474.db2.gz NQQMTJWVUVKPAR-VIFPVBQESA-N 1 0 228.361 2.009 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1c1nccc2occc21 ZINC000234378406 631488965 /nfs/dbraw/zinc/48/89/65/631488965.db2.gz XWDAOIUOKKRGKX-NSHDSACASA-N 1 0 245.326 2.406 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1 ZINC000089385673 631504470 /nfs/dbraw/zinc/50/44/70/631504470.db2.gz UBRDVZFIEITCKD-ZIAGYGMSSA-N 1 0 246.354 2.068 10 0 BEAERO COC(=O)C(C)(C)C[NH2+]CCc1ccccc1 ZINC000093715448 631570250 /nfs/dbraw/zinc/57/02/50/631570250.db2.gz SQIRELHKEZSPDW-UHFFFAOYSA-N 1 0 235.327 2.018 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc2ccccc2n1 ZINC000385185719 631643274 /nfs/dbraw/zinc/64/32/74/631643274.db2.gz KUEOFSMVHKTMGO-ZYHUDNBSSA-N 1 0 227.311 2.161 10 0 BEAERO COC1CC([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000234715877 631668526 /nfs/dbraw/zinc/66/85/26/631668526.db2.gz YBSAHQINVZLOKX-UHFFFAOYSA-N 1 0 230.311 2.435 10 0 BEAERO CC[C@@H](C[NH2+]CCc1ccccc1)OC ZINC000309006990 631799037 /nfs/dbraw/zinc/79/90/37/631799037.db2.gz VBJHJSRICJEUEE-ZDUSSCGKSA-N 1 0 207.317 2.244 10 0 BEAERO c1cc2c(s1)CCO[C@@H]2C[NH2+]CC1CC1 ZINC000309070474 631830316 /nfs/dbraw/zinc/83/03/16/631830316.db2.gz CLGFOZOLSCHRSL-LLVKDONJSA-N 1 0 223.341 2.362 10 0 BEAERO C[C@H]([NH2+]Cc1nc(Cl)cs1)[C@H]1CCCO1 ZINC000309087944 631875741 /nfs/dbraw/zinc/87/57/41/631875741.db2.gz ABZZGSMEQFEEGS-JGVFFNPUSA-N 1 0 246.763 2.454 10 0 BEAERO C[NH2+]CCc1noc(C[C@H](C)CC(C)(C)C)n1 ZINC000051850895 631965264 /nfs/dbraw/zinc/96/52/64/631965264.db2.gz OVAQNQVAPDIINS-JTQLQIEISA-N 1 0 239.363 2.446 10 0 BEAERO c1cc2c([nH]1)CCC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000309333089 632003306 /nfs/dbraw/zinc/00/33/06/632003306.db2.gz IJAJDYQQLGHDAS-GWCFXTLKSA-N 1 0 220.316 2.161 10 0 BEAERO [NH3+]C1CC(CNc2cccc(C(F)(F)F)n2)C1 ZINC000091525272 632052480 /nfs/dbraw/zinc/05/24/80/632052480.db2.gz ZPDZUWXLOJYFNS-UHFFFAOYSA-N 1 0 245.248 2.250 10 0 BEAERO CC[C@H](C(=O)NCC1CC([NH3+])C1)c1ccccc1 ZINC000091538174 632059703 /nfs/dbraw/zinc/05/97/03/632059703.db2.gz QSIXLJWTEBEKIL-UBHUBRDASA-N 1 0 246.354 2.034 10 0 BEAERO CC[C@@H](C(=O)NCC1CC([NH3+])C1)c1ccccc1 ZINC000091538175 632060348 /nfs/dbraw/zinc/06/03/48/632060348.db2.gz QSIXLJWTEBEKIL-UXUKBGGZSA-N 1 0 246.354 2.034 10 0 BEAERO CC[C@H](C)[N@H+](CC)Cc1ccc(N)nc1 ZINC000050813079 632062729 /nfs/dbraw/zinc/06/27/29/632062729.db2.gz NZVIDAUCLDHALA-JTQLQIEISA-N 1 0 207.321 2.284 10 0 BEAERO Cc1ccc(C)c(-c2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158824 635776137 /nfs/dbraw/zinc/77/61/37/635776137.db2.gz GLVPGHMRHADQCW-SNVBAGLBSA-N 1 0 231.299 2.416 10 0 BEAERO CC[C@H]([NH2+]Cc1cn(C)cn1)C(C)(C)C ZINC000308922319 632450427 /nfs/dbraw/zinc/45/04/27/632450427.db2.gz HJASDEQVPPLELS-NSHDSACASA-N 1 0 209.337 2.334 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309544522 632483519 /nfs/dbraw/zinc/48/35/19/632483519.db2.gz ZHLZYJWNZYBXIQ-CRWXNKLISA-N 1 0 223.360 2.316 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000308933288 632515766 /nfs/dbraw/zinc/51/57/66/632515766.db2.gz OQDSEZCVVITHLG-GFCCVEGCSA-N 1 0 215.312 2.427 10 0 BEAERO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)C(C)(C)C ZINC000309700387 632653679 /nfs/dbraw/zinc/65/36/79/632653679.db2.gz MJKYHZPJXOFIHE-LLVKDONJSA-N 1 0 249.420 2.224 10 0 BEAERO CCCCc1nc(C[NH2+]C(C)(C)CO)cs1 ZINC000309714279 632654097 /nfs/dbraw/zinc/65/40/97/632654097.db2.gz SBLVCLIDGOWOTN-UHFFFAOYSA-N 1 0 242.388 2.346 10 0 BEAERO C[C@@]1(C[NH2+]CCc2ccccc2)CCOC1 ZINC000309743020 632663306 /nfs/dbraw/zinc/66/33/06/632663306.db2.gz DRVMLDNAECPVSH-AWEZNQCLSA-N 1 0 219.328 2.245 10 0 BEAERO C/C(=C\c1ccccc1)C[NH2+][C@H](C)[C@H](C)O ZINC000309890646 632680192 /nfs/dbraw/zinc/68/01/92/632680192.db2.gz CKKBIRDLRLMDCW-SDGMYFCLSA-N 1 0 219.328 2.449 10 0 BEAERO CC[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccccc1 ZINC000310698750 632889805 /nfs/dbraw/zinc/88/98/05/632889805.db2.gz XCFQPICJBOIGJN-KGLIPLIRSA-N 1 0 246.354 2.381 10 0 BEAERO [NH3+]CCCCCCNc1ncc(Cl)cn1 ZINC000236168624 632891461 /nfs/dbraw/zinc/89/14/61/632891461.db2.gz WWDSFVJJOUCJHM-UHFFFAOYSA-N 1 0 228.727 2.061 10 0 BEAERO CCCc1cccc(C[NH2+][C@H](C)[C@@H](C)O)c1 ZINC000309449169 633083393 /nfs/dbraw/zinc/08/33/93/633083393.db2.gz KPAXTIYLRGISST-VXGBXAGGSA-N 1 0 221.344 2.498 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2cccc(Cl)n2)C1 ZINC000309452607 633084447 /nfs/dbraw/zinc/08/44/47/633084447.db2.gz LOPYFQOFOADKJN-VHSXEESVSA-N 1 0 239.750 2.487 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000309473344 633131161 /nfs/dbraw/zinc/13/11/61/633131161.db2.gz RFXHSFABQYVGSO-KOLCDFICSA-N 1 0 239.750 2.487 10 0 BEAERO C[C@]1(c2nc(CC3CCC3)no2)CCC[NH2+]1 ZINC000304630164 635945554 /nfs/dbraw/zinc/94/55/54/635945554.db2.gz QMGBUELASUHJLU-GFCCVEGCSA-N 1 0 221.304 2.011 10 0 BEAERO CC(C)C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000306344080 635963069 /nfs/dbraw/zinc/96/30/69/635963069.db2.gz MWJXFRVPDTYTJI-LLVKDONJSA-N 1 0 244.379 2.487 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)o1 ZINC000336757176 636005360 /nfs/dbraw/zinc/00/53/60/636005360.db2.gz JAKCFKNQQRZIBU-GUBZILKMSA-N 1 0 211.305 2.262 10 0 BEAERO C[C@@H]([NH3+])CNc1nc2ccc(F)cc2s1 ZINC000212629594 636105075 /nfs/dbraw/zinc/10/50/75/636105075.db2.gz SPMONNAHBLLBEI-ZCFIWIBFSA-N 1 0 225.292 2.195 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)C1 ZINC000328385355 633759373 /nfs/dbraw/zinc/75/93/73/633759373.db2.gz WKXOLIJBLGORHK-FRRDWIJNSA-N 1 0 242.432 2.344 10 0 BEAERO CCN(c1nc(C)cc(C(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000122564754 633783151 /nfs/dbraw/zinc/78/31/51/633783151.db2.gz LAHQWEOHHYBIAK-GFCCVEGCSA-N 1 0 248.374 2.097 10 0 BEAERO CCN(c1nc(C)cc(C(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000122565007 633784129 /nfs/dbraw/zinc/78/41/29/633784129.db2.gz LAHQWEOHHYBIAK-LBPRGKRZSA-N 1 0 248.374 2.097 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000309074622 633848045 /nfs/dbraw/zinc/84/80/45/633848045.db2.gz IVFBXKDRMUEZMM-CYDGBPFRSA-N 1 0 211.349 2.314 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000309903118 633921075 /nfs/dbraw/zinc/92/10/75/633921075.db2.gz ITQGUYMAASVVEV-RFQIPJPRSA-N 1 0 224.392 2.351 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309921430 633942857 /nfs/dbraw/zinc/94/28/57/633942857.db2.gz SHGVIMVKEZIRAI-IGHBBLSQSA-N 1 0 222.376 2.105 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000309942749 633966978 /nfs/dbraw/zinc/96/69/78/633966978.db2.gz CDDWXJLZFYLSPQ-IUCAKERBSA-N 1 0 242.388 2.300 10 0 BEAERO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H](C)O ZINC000309964700 633992368 /nfs/dbraw/zinc/99/23/68/633992368.db2.gz MXLWIBUCXYHHFV-BDAKNGLRSA-N 1 0 240.372 2.270 10 0 BEAERO CC[C@H]([NH2+][C@H]1CC[C@H](C(=O)OC)C1)C(C)C ZINC000309998412 634059318 /nfs/dbraw/zinc/05/93/18/634059318.db2.gz CXUIXKLKBCJQPM-SRVKXCTJSA-N 1 0 227.348 2.352 10 0 BEAERO c1cc(CNCC[NH+]2CCCCCC2)co1 ZINC000053343844 634170673 /nfs/dbraw/zinc/17/06/73/634170673.db2.gz DWZVFVQHBGCLAI-UHFFFAOYSA-N 1 0 222.332 2.245 10 0 BEAERO COc1ccc(OCC[NH2+]Cc2ccoc2)cc1 ZINC000053567273 634246853 /nfs/dbraw/zinc/24/68/53/634246853.db2.gz MZCCPUZWRTZQQD-UHFFFAOYSA-N 1 0 247.294 2.457 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123597790 634250376 /nfs/dbraw/zinc/25/03/76/634250376.db2.gz PJHMQCZGJRRINP-DTWKUNHWSA-N 1 0 225.254 2.486 10 0 BEAERO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)O)c1C ZINC000309043851 635160424 /nfs/dbraw/zinc/16/04/24/635160424.db2.gz MZQVJTRSKQLUTJ-NWDGAFQWSA-N 1 0 207.317 2.162 10 0 BEAERO COc1ccc(C[NH2+][C@@H](C)[C@H](C)O)c(Cl)c1 ZINC000336700829 635221436 /nfs/dbraw/zinc/22/14/36/635221436.db2.gz NRPJVUWQSYWFNS-IUCAKERBSA-N 1 0 243.734 2.208 10 0 BEAERO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)O ZINC000336751687 635257709 /nfs/dbraw/zinc/25/77/09/635257709.db2.gz CKRQPWQIFQVZKF-GARJFASQSA-N 1 0 222.332 2.064 10 0 BEAERO CCC[C@H](OC)c1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000227311809 635448340 /nfs/dbraw/zinc/44/83/40/635448340.db2.gz LZNNZYNWQSRNMV-UWVGGRQHSA-N 1 0 241.335 2.083 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000230927484 635495529 /nfs/dbraw/zinc/49/55/29/635495529.db2.gz RASMHTDVYNCSRK-HRDYMLBCSA-N 1 0 221.304 2.178 10 0 BEAERO [NH3+]CCCCCCNc1ncnc2c1CCCC2 ZINC000236173682 635596162 /nfs/dbraw/zinc/59/61/62/635596162.db2.gz JZFKHYNZBDJPGI-UHFFFAOYSA-N 1 0 248.374 2.286 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)C[NH3+])no2)cc1C ZINC000054158658 635775305 /nfs/dbraw/zinc/77/53/05/635775305.db2.gz ZCKMYNUHMRRALK-SNVBAGLBSA-N 1 0 231.299 2.416 10 0 BEAERO C[C@H](C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000675054316 636367500 /nfs/dbraw/zinc/36/75/00/636367500.db2.gz RSINEWZIVGQRFT-IJLUTSLNSA-N 1 0 240.391 2.030 10 0 BEAERO CC[C@@H](CO)[NH2+]Cc1ccc2ccccc2n1 ZINC000035114294 636791128 /nfs/dbraw/zinc/79/11/28/636791128.db2.gz NFUHVDUIZDGRDE-LBPRGKRZSA-N 1 0 230.311 2.095 10 0 BEAERO CSCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237093 636805931 /nfs/dbraw/zinc/80/59/31/636805931.db2.gz QANILEGUVOXSQI-HBNTYKKESA-N 1 0 217.378 2.021 10 0 BEAERO CCON1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000323115785 636898599 /nfs/dbraw/zinc/89/85/99/636898599.db2.gz IYUXMEIFJZBQKP-NSHDSACASA-N 1 0 214.353 2.036 10 0 BEAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000054598568 637034894 /nfs/dbraw/zinc/03/48/94/637034894.db2.gz BMTWWQFGWVKKTF-YPMHNXCESA-N 1 0 223.291 2.165 10 0 BEAERO CC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C(C)C ZINC000042592865 637291697 /nfs/dbraw/zinc/29/16/97/637291697.db2.gz PYQJOFCLYAIVAD-NSHDSACASA-N 1 0 228.380 2.315 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc2c1NCCC2 ZINC000149479845 638501076 /nfs/dbraw/zinc/50/10/76/638501076.db2.gz TXDWOUNIQYRRGW-SMDDNHRTSA-N 1 0 246.354 2.312 10 0 BEAERO Cc1cccc(Cc2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000043561006 638585269 /nfs/dbraw/zinc/58/52/69/638585269.db2.gz PFFFHVHAISOERA-LBPRGKRZSA-N 1 0 243.310 2.393 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000348315862 639044862 /nfs/dbraw/zinc/04/48/62/639044862.db2.gz IHJLXRJUIGQBPE-JYBOHDQNSA-N 1 0 237.318 2.431 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000348398830 639140506 /nfs/dbraw/zinc/14/05/06/639140506.db2.gz KDAQFLMHSXEMTD-XOAXOQPSSA-N 1 0 237.318 2.431 10 0 BEAERO CC(C)Cc1nc([C@H]([NH3+])C(C)(C)C)n(C)n1 ZINC000054699049 640319451 /nfs/dbraw/zinc/31/94/51/640319451.db2.gz OAFYTRXEBZZOIY-JTQLQIEISA-N 1 0 224.352 2.060 10 0 BEAERO CC[C@H]([NH2+]C)c1nc(C2CCCC2)nn1C ZINC000054699278 640320319 /nfs/dbraw/zinc/32/03/19/640320319.db2.gz NHKFBAPHHVLYKY-JTQLQIEISA-N 1 0 222.336 2.143 10 0 BEAERO C[NH2+]C1CCN([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000044677409 640452667 /nfs/dbraw/zinc/45/26/67/640452667.db2.gz CEFMBDBBIOFTRZ-LSDHHAIUSA-N 1 0 230.355 2.226 10 0 BEAERO CCCc1noc(C[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000156907642 640516906 /nfs/dbraw/zinc/51/69/06/640516906.db2.gz VXMVTGVCPNDNPP-MNOVXSKESA-N 1 0 237.347 2.200 10 0 BEAERO Cc1occc1-c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000165610237 640586485 /nfs/dbraw/zinc/58/64/85/640586485.db2.gz RDLSNAOJKLTVQF-KOLCDFICSA-N 1 0 247.298 2.480 10 0 BEAERO COc1cc(C[NH2+]CCc2ccccc2)ccn1 ZINC000057395223 640606627 /nfs/dbraw/zinc/60/66/27/640606627.db2.gz RLUASJYGQOBLSK-UHFFFAOYSA-N 1 0 242.322 2.423 10 0 BEAERO Cc1cc(N(C)Cc2cccs2)nc(N)[nH+]1 ZINC000045723938 640652220 /nfs/dbraw/zinc/65/22/20/640652220.db2.gz KASDARXPRPAUPU-UHFFFAOYSA-N 1 0 234.328 2.065 10 0 BEAERO COC(C[NH2+][C@@H]1CCc2c1cccc2F)OC ZINC000214643444 640770857 /nfs/dbraw/zinc/77/08/57/640770857.db2.gz PFNMJJXUXNSOMP-GFCCVEGCSA-N 1 0 239.290 2.022 10 0 BEAERO CCC[C@H](OC)c1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000227312530 640827082 /nfs/dbraw/zinc/82/70/82/640827082.db2.gz UIGJYUIHZXNVCG-BBBLOLIVSA-N 1 0 239.319 2.152 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2ccc(Cl)cn2)C1 ZINC000227644151 640843682 /nfs/dbraw/zinc/84/36/82/640843682.db2.gz VCLRVEOSHDDJPG-WCBMZHEXSA-N 1 0 225.723 2.274 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2nccc3occc32)C1 ZINC000227650226 640844328 /nfs/dbraw/zinc/84/43/28/640844328.db2.gz BHGHKJCRAGVXPM-VHSXEESVSA-N 1 0 231.299 2.367 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2cnc3ccccc3n2)C1 ZINC000227649777 640844424 /nfs/dbraw/zinc/84/44/24/640844424.db2.gz HVDWEYWPPJTUJE-WDEREUQCSA-N 1 0 242.326 2.169 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000227895608 640852607 /nfs/dbraw/zinc/85/26/07/640852607.db2.gz WPNOXIHSINQVRM-OLZOCXBDSA-N 1 0 245.407 2.436 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000229210973 640934394 /nfs/dbraw/zinc/93/43/94/640934394.db2.gz SCMBVFDJIUGJDG-MJVIPROJSA-N 1 0 239.359 2.211 10 0 BEAERO C[C@H]1C[N@H+](CCC(=O)C(C)(C)C)CCCO1 ZINC000061934008 641007980 /nfs/dbraw/zinc/00/79/80/641007980.db2.gz DCGGXABCEXDTQO-NSHDSACASA-N 1 0 227.348 2.103 10 0 BEAERO c1cc(CNCCC[NH+]2CCCCC2)co1 ZINC000062103460 641020283 /nfs/dbraw/zinc/02/02/83/641020283.db2.gz JHSOKOCOGMUCFL-UHFFFAOYSA-N 1 0 222.332 2.245 10 0 BEAERO CC1CCC(c2noc([C@H]3CC[NH2+]C3)n2)CC1 ZINC000062119791 641022840 /nfs/dbraw/zinc/02/28/40/641022840.db2.gz UWNJIWUFRCGOAL-ILDUYXDCSA-N 1 0 235.331 2.440 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C[Si](C)(C)C ZINC000172082380 641033757 /nfs/dbraw/zinc/03/37/57/641033757.db2.gz QFWHMZDEYUUIFP-NWDGAFQWSA-N 1 0 226.440 2.032 10 0 BEAERO CC[C@H]([NH2+]C[C@H]1COC(C)(C)O1)C(C)C ZINC000230211641 641038214 /nfs/dbraw/zinc/03/82/14/641038214.db2.gz YVKUDOCYOLKQGT-QWRGUYRKSA-N 1 0 215.337 2.162 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCCCCCO)o1 ZINC000230645575 641076327 /nfs/dbraw/zinc/07/63/27/641076327.db2.gz ONTCXPYGQRBEFK-NSHDSACASA-N 1 0 226.320 2.186 10 0 BEAERO CCc1ccc(C[NH2+]C2CC(OC)C2)o1 ZINC000230690041 641086129 /nfs/dbraw/zinc/08/61/29/641086129.db2.gz YKMGEGDREVDGJG-UHFFFAOYSA-N 1 0 209.289 2.109 10 0 BEAERO COC1CC([NH2+]Cc2cc(C)ccc2F)C1 ZINC000230689428 641087136 /nfs/dbraw/zinc/08/71/36/641087136.db2.gz PUJAXRRLAYLXFA-UHFFFAOYSA-N 1 0 223.291 2.401 10 0 BEAERO CC(C)(C)[NH2+]CCN[C@@H]1COc2ccccc21 ZINC000230974357 641122351 /nfs/dbraw/zinc/12/23/51/641122351.db2.gz PZAKYYUVHMSWOJ-GFCCVEGCSA-N 1 0 234.343 2.098 10 0 BEAERO Cc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)o1 ZINC000063084664 641127623 /nfs/dbraw/zinc/12/76/23/641127623.db2.gz NNQIQQLMJNMEEX-JTQLQIEISA-N 1 0 247.298 2.180 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H](C)O ZINC000088162553 641319396 /nfs/dbraw/zinc/31/93/96/641319396.db2.gz SSPRYUFBBIUFDJ-WOPDTQHZSA-N 1 0 207.317 2.415 10 0 BEAERO CC(C)[C@H](C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675080189 641342041 /nfs/dbraw/zinc/34/20/41/641342041.db2.gz OIKCJBVJZUVRGE-BPNCWPANSA-N 1 0 246.354 2.019 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@H]2C1CCOCC1 ZINC000084497880 641358239 /nfs/dbraw/zinc/35/82/39/641358239.db2.gz CBQKPPDSSYNWLO-LBPRGKRZSA-N 1 0 223.341 2.362 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc([C@H]2CC2(C)C)no1 ZINC000232725696 641388844 /nfs/dbraw/zinc/38/88/44/641388844.db2.gz VSDFKQXZFFGNPB-RKDXNWHRSA-N 1 0 223.320 2.109 10 0 BEAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000723108350 711504248 /nfs/dbraw/zinc/50/42/48/711504248.db2.gz YKULYEZRFWJGRL-AGIUHOORSA-N 1 0 209.333 2.334 10 0 BEAERO Cc1ccccc1[C@H](O)C[N@@H+](C)CC1CC1 ZINC000044161740 641587791 /nfs/dbraw/zinc/58/77/91/641587791.db2.gz GYJXBQKMBJXGCV-CQSZACIVSA-N 1 0 219.328 2.370 10 0 BEAERO Cc1cccc([C@H](O)C[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000044171282 641589241 /nfs/dbraw/zinc/58/92/41/641589241.db2.gz ZZFBHYVYIBWIOT-LSDHHAIUSA-N 1 0 249.354 2.139 10 0 BEAERO CC1(c2noc([C@H]3CCCC[C@H]3C[NH3+])n2)CC1 ZINC000156311688 641605214 /nfs/dbraw/zinc/60/52/14/641605214.db2.gz YGXNBUJUFGVAMW-UWVGGRQHSA-N 1 0 235.331 2.354 10 0 BEAERO CN(C(=O)[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000089385527 641674134 /nfs/dbraw/zinc/67/41/34/641674134.db2.gz MSKFLPBNIQKMOS-JSGCOSHPSA-N 1 0 246.354 2.415 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)s1 ZINC000049185474 641713383 /nfs/dbraw/zinc/71/33/83/641713383.db2.gz DBPUTHNUUAAJSS-ZJUUUORDSA-N 1 0 240.372 2.361 10 0 BEAERO Cc1cc(NC[C@@H]2CC=CCC2)nc(N)[nH+]1 ZINC000049281769 641714797 /nfs/dbraw/zinc/71/47/97/641714797.db2.gz DYNMGUGXQLILLD-SNVBAGLBSA-N 1 0 218.304 2.135 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccoc2)no1 ZINC000089431338 641733798 /nfs/dbraw/zinc/73/37/98/641733798.db2.gz KPVNULCEJSDTAD-WCBMZHEXSA-N 1 0 233.271 2.172 10 0 BEAERO C/C=C(\CC)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000188022585 641740596 /nfs/dbraw/zinc/74/05/96/641740596.db2.gz ZMFSTONIGNOHQE-YFTXEMMHSA-N 1 0 238.375 2.285 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCCCCCC1 ZINC000089450130 641759173 /nfs/dbraw/zinc/75/91/73/641759173.db2.gz ATXNSJGPFKQNCQ-QWHCGFSZSA-N 1 0 238.375 2.154 10 0 BEAERO COc1cc(C)c(-c2cnn(C)c2C[NH3+])cc1C ZINC000213282789 641762947 /nfs/dbraw/zinc/76/29/47/641762947.db2.gz ULRMHCYZFZIWER-UHFFFAOYSA-N 1 0 245.326 2.171 10 0 BEAERO CC1(C)C[C@H]1c1noc(CCCCC[NH3+])n1 ZINC000232833171 641772126 /nfs/dbraw/zinc/77/21/26/641772126.db2.gz WEWPQOUJFGYGLB-VIFPVBQESA-N 1 0 223.320 2.255 10 0 BEAERO C[C@H]1COC[C@H](C)[NH+]1CCc1cccs1 ZINC000077364866 641850604 /nfs/dbraw/zinc/85/06/04/641850604.db2.gz WTQKWVOPFKSKOV-QWRGUYRKSA-N 1 0 225.357 2.400 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1CCSC(F)(F)F ZINC000123633199 641873485 /nfs/dbraw/zinc/87/34/85/641873485.db2.gz MLPGKLJNJYQEJN-HTQZYQBOSA-N 1 0 242.310 2.051 10 0 BEAERO COc1ccccc1[C@H](O)C[NH2+]C1CCCC1 ZINC000033465434 642162456 /nfs/dbraw/zinc/16/24/56/642162456.db2.gz VHOUZNUBWQYXSG-CYBMUJFWSA-N 1 0 235.327 2.261 10 0 BEAERO Cc1ccnc(NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000097829959 642635876 /nfs/dbraw/zinc/63/58/76/642635876.db2.gz WWARCXNDEJJBRH-UHFFFAOYSA-N 1 0 240.310 2.000 10 0 BEAERO OC1CC(C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000305934532 642712909 /nfs/dbraw/zinc/71/29/09/642712909.db2.gz PUYOBNSANMMEBM-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO C(C[C@H]1CCC[NH2+]C1)c1nc(CC2CCC2)no1 ZINC000306083336 642722640 /nfs/dbraw/zinc/72/26/40/642722640.db2.gz FKPMYVYBJSRXSD-GFCCVEGCSA-N 1 0 249.358 2.344 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCC12CCCC2)[C@H](C)O ZINC000353505035 642858660 /nfs/dbraw/zinc/85/86/60/642858660.db2.gz UINVNVUSMICLBM-WOPDTQHZSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]CC[S@](C)=O)CC(C)(C)C1 ZINC000253199702 642946705 /nfs/dbraw/zinc/94/67/05/642946705.db2.gz WSJCJBARMXTTEG-HFAKWTLXSA-N 1 0 231.405 2.169 10 0 BEAERO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000183154470 643093787 /nfs/dbraw/zinc/09/37/87/643093787.db2.gz ABIDIGMWKRZYAV-IINYFYTJSA-N 1 0 248.301 2.354 10 0 BEAERO C[C@@H]([NH2+]C[Si](C)(C)C)[C@@H]1CCCO1 ZINC000183197480 643095480 /nfs/dbraw/zinc/09/54/80/643095480.db2.gz UMARNUDSFIXOGT-ZJUUUORDSA-N 1 0 201.386 2.021 10 0 BEAERO O[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1 ZINC000252981296 643149862 /nfs/dbraw/zinc/14/98/62/643149862.db2.gz QMCQAAMILAUWLM-HDJSIYSDSA-N 1 0 219.328 2.122 10 0 BEAERO Cl/C=C\C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000254970072 643191154 /nfs/dbraw/zinc/19/11/54/643191154.db2.gz KRJYFHVDNRFBKO-KTAJNNJTSA-N 1 0 225.723 2.342 10 0 BEAERO CC[NH2+]CCNc1ncnc2sc(C)cc21 ZINC000082485811 643321086 /nfs/dbraw/zinc/32/10/86/643321086.db2.gz QYJWNRGTAIVREE-UHFFFAOYSA-N 1 0 236.344 2.021 10 0 BEAERO CC[C@@H](C)c1noc(C[NH2+]CC2CC2)n1 ZINC000082561192 643342777 /nfs/dbraw/zinc/34/27/77/643342777.db2.gz LQXKLTAPAINEAW-MRVPVSSYSA-N 1 0 209.293 2.083 10 0 BEAERO C[C@@H]1CC[C@@]2(C[C@H]1C)[NH2+]CCc1nc[nH]c12 ZINC000400462506 643388586 /nfs/dbraw/zinc/38/85/86/643388586.db2.gz OZIIPHASYPIVDQ-BREBYQMCSA-N 1 0 219.332 2.207 10 0 BEAERO Cn1cc(C[NH3+])c2ccc(Br)cc21 ZINC000083338573 643435789 /nfs/dbraw/zinc/43/57/89/643435789.db2.gz BWOLXSFWBQICSC-UHFFFAOYSA-N 1 0 239.116 2.400 10 0 BEAERO C[C@@H](NC(=O)C1CCCCC1)C1CC[NH2+]CC1 ZINC000035689841 643454369 /nfs/dbraw/zinc/45/43/69/643454369.db2.gz SLZIJMGOJWOPQY-LLVKDONJSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1cccc(-c2cnn(CCC[NH3+])c2)c1 ZINC000049815877 643463979 /nfs/dbraw/zinc/46/39/79/643463979.db2.gz XGGASLMLWPYJPY-UHFFFAOYSA-N 1 0 215.300 2.207 10 0 BEAERO CC[C@@H](C)c1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000082563228 643511959 /nfs/dbraw/zinc/51/19/59/643511959.db2.gz BSDNLDUZHSHPPB-BDAKNGLRSA-N 1 0 211.309 2.109 10 0 BEAERO CCc1cc(NCCCCCC[NH3+])nc(C)n1 ZINC000234138892 643517630 /nfs/dbraw/zinc/51/76/30/643517630.db2.gz AMKAGQBQWDSGNX-UHFFFAOYSA-N 1 0 236.363 2.278 10 0 BEAERO Cc1cc(N(C)C2CCCCC2)nc(N)[nH+]1 ZINC000043531914 643527291 /nfs/dbraw/zinc/52/72/91/643527291.db2.gz ICOLOHSTHUAVES-UHFFFAOYSA-N 1 0 220.320 2.136 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000049948852 643564693 /nfs/dbraw/zinc/56/46/93/643564693.db2.gz JXWAVORZWYBDLW-MNOVXSKESA-N 1 0 226.345 2.109 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000049949021 643566131 /nfs/dbraw/zinc/56/61/31/643566131.db2.gz CXCHSOGGDICIQU-STQMWFEESA-N 1 0 223.291 2.483 10 0 BEAERO CCC(CC)NC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301232 643658408 /nfs/dbraw/zinc/65/84/08/643658408.db2.gz ICKCQACGOHWOTG-JQWIXIFHSA-N 1 0 226.364 2.056 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000050375788 643692122 /nfs/dbraw/zinc/69/21/22/643692122.db2.gz LLMCXTRPQLTPTH-ZIAGYGMSSA-N 1 0 234.343 2.256 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+]CCOCCC(C)C ZINC000050372682 643692791 /nfs/dbraw/zinc/69/27/91/643692791.db2.gz XGNOOUZKCQSZLB-CHWSQXEVSA-N 1 0 229.364 2.206 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCSC(C)(C)C ZINC000236973100 643697591 /nfs/dbraw/zinc/69/75/91/643697591.db2.gz WPTSNXQSDBRTEQ-NXEZZACHSA-N 1 0 246.420 2.008 10 0 BEAERO c1cn(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC=CO2)cn1 ZINC000194642194 644336724 /nfs/dbraw/zinc/33/67/24/644336724.db2.gz YKCCLUCOUJUJBA-KGLIPLIRSA-N 1 0 247.342 2.040 10 0 BEAERO Cc1c(Cl)ccc2c1NC(=O)C[C@H]2C[NH3+] ZINC000084015906 644415548 /nfs/dbraw/zinc/41/55/48/644415548.db2.gz WMSBVRQKUDCLCF-ZETCQYMHSA-N 1 0 224.691 2.033 10 0 BEAERO CCCN(CC)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301711 644422736 /nfs/dbraw/zinc/42/27/36/644422736.db2.gz VYMLQEMYUNXWFP-NWDGAFQWSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087221874 644483799 /nfs/dbraw/zinc/48/37/99/644483799.db2.gz BWUPXDSITFVDFK-TUAOUCFPSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@]1(C[NH2+]CCc2ccccc2)CCCO1 ZINC000087233154 644484476 /nfs/dbraw/zinc/48/44/76/644484476.db2.gz ZQBUFXFHYNGXLI-CQSZACIVSA-N 1 0 219.328 2.388 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450939 644551146 /nfs/dbraw/zinc/55/11/46/644551146.db2.gz PAKYLLWVKMUCED-YNEHKIRRSA-N 1 0 240.391 2.446 10 0 BEAERO c1cn(C[C@H]2CCC[N@@H+]2C[C@H]2CCC=CO2)cn1 ZINC000249054809 644711186 /nfs/dbraw/zinc/71/11/86/644711186.db2.gz YKCCLUCOUJUJBA-ZIAGYGMSSA-N 1 0 247.342 2.040 10 0 BEAERO CC1(c2nc(C[C@@H]3CCC[NH2+]C3)no2)CCCC1 ZINC000094908446 644733004 /nfs/dbraw/zinc/73/30/04/644733004.db2.gz NLTFGYVILRFVHH-NSHDSACASA-N 1 0 249.358 2.443 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1cc(F)cc(Cl)c1 ZINC000095638364 644759446 /nfs/dbraw/zinc/75/94/46/644759446.db2.gz HLYYKYOKEXFBBB-VIFPVBQESA-N 1 0 231.654 2.042 10 0 BEAERO C[C@H]1CN(c2nc(Cl)cs2)C[C@H]1[NH+](C)C ZINC000251885105 644831030 /nfs/dbraw/zinc/83/10/30/644831030.db2.gz VBXAELDTCSCWFU-JGVFFNPUSA-N 1 0 245.779 2.183 10 0 BEAERO C(=C\c1ccco1)\CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096791786 644837345 /nfs/dbraw/zinc/83/73/45/644837345.db2.gz WFLPGWFQIMYDNQ-APDIZUKHSA-N 1 0 232.327 2.119 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000252159842 644837912 /nfs/dbraw/zinc/83/79/12/644837912.db2.gz PRNBUQSFSVHELB-WOPDTQHZSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H]1CCCO1 ZINC000252640869 644872241 /nfs/dbraw/zinc/87/22/41/644872241.db2.gz LHVWOXJCMXPLQV-YUHKZXITSA-N 1 0 224.131 2.463 10 0 BEAERO C[C@H]1C[C@@H](O)C[N@H+](CCOC2CCCCC2)C1 ZINC000701330891 712020661 /nfs/dbraw/zinc/02/06/61/712020661.db2.gz PIUOHRQPQIXHOR-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO Fc1cccc(NCCC2CC[NH2+]CC2)n1 ZINC000702687426 712059520 /nfs/dbraw/zinc/05/95/20/712059520.db2.gz HGGIVRQSAWVVDB-UHFFFAOYSA-N 1 0 223.295 2.022 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1nnc(CC)s1 ZINC000702715180 712059915 /nfs/dbraw/zinc/05/99/15/712059915.db2.gz ZOFRUNVWHITGFQ-IUCAKERBSA-N 1 0 225.361 2.379 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC1(OC)OC)C(C)C ZINC000710966893 712269423 /nfs/dbraw/zinc/26/94/23/712269423.db2.gz LMRCVRXFTGAALV-WDEREUQCSA-N 1 0 215.337 2.162 10 0 BEAERO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378803594 712361809 /nfs/dbraw/zinc/36/18/09/712361809.db2.gz VRXQMLRSLFGGOQ-IVZWLZJFSA-N 1 0 239.750 2.352 10 0 BEAERO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000713062610 712451743 /nfs/dbraw/zinc/45/17/43/712451743.db2.gz CEPISAXTKRGWFT-HBIQZDMRSA-N 1 0 238.375 2.055 10 0 BEAERO Cc1cccc(N(C)C2(C[NH3+])CCCCC2)n1 ZINC000713371620 712459856 /nfs/dbraw/zinc/45/98/56/712459856.db2.gz WZXPAPAWBIMBSF-UHFFFAOYSA-N 1 0 233.359 2.488 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCC(C)(C)CO1 ZINC000713571861 712465521 /nfs/dbraw/zinc/46/55/21/712465521.db2.gz WCNZERAQJACICA-AGIUHOORSA-N 1 0 241.375 2.037 10 0 BEAERO COCC1CC([NH2+]Cc2ccc(Cl)cn2)C1 ZINC000713926301 712473495 /nfs/dbraw/zinc/47/34/95/712473495.db2.gz FIJHXLDVEQXAGH-UHFFFAOYSA-N 1 0 240.734 2.250 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2ccccn2)C1 ZINC000714006341 712476839 /nfs/dbraw/zinc/47/68/39/712476839.db2.gz HUCJFKDTMXOIQK-UNXYVOJBSA-N 1 0 220.316 2.157 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715515410 712525139 /nfs/dbraw/zinc/52/51/39/712525139.db2.gz BGGNBENCTMKSRW-ZZVYKPCYSA-N 1 0 223.360 2.268 10 0 BEAERO CCCC[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000715946138 712544909 /nfs/dbraw/zinc/54/49/09/712544909.db2.gz WXOFSCHFMCZZIT-LLVKDONJSA-N 1 0 215.337 2.165 10 0 BEAERO CN(CCC[NH2+]C1CC1)c1ccccc1 ZINC000037478475 712648193 /nfs/dbraw/zinc/64/81/93/712648193.db2.gz QAHYNKKZOYOJGH-UHFFFAOYSA-N 1 0 204.317 2.265 10 0 BEAERO c1cc2c(s1)CCO[C@H]2C[NH2+]C1CSC1 ZINC000380097018 712686061 /nfs/dbraw/zinc/68/60/61/712686061.db2.gz KOCWYXCHIAIFCU-JTQLQIEISA-N 1 0 241.381 2.067 10 0 BEAERO C(CC1OCCO1)[NH2+]C1(C2CCC2)CCC1 ZINC000717875821 712696092 /nfs/dbraw/zinc/69/60/92/712696092.db2.gz MERYFPHHBYUIMW-UHFFFAOYSA-N 1 0 225.332 2.062 10 0 BEAERO OC[C@@H]1CCCC[N@@H+]1CCSC(F)(F)F ZINC000123698840 712694048 /nfs/dbraw/zinc/69/40/48/712694048.db2.gz UBFJFQUSUGJOET-QMMMGPOBSA-N 1 0 243.294 2.086 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000718788149 712782979 /nfs/dbraw/zinc/78/29/79/712782979.db2.gz JNXZYMIYEZFFFE-RFQIPJPRSA-N 1 0 241.375 2.227 10 0 BEAERO COCC1CC([NH2+][C@@H]2CCC[C@@H](OC)CC2)C1 ZINC000718811794 712783655 /nfs/dbraw/zinc/78/36/55/712783655.db2.gz PKQQBEMGRMNICL-FKZOYECMSA-N 1 0 241.375 2.349 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000718861854 712786300 /nfs/dbraw/zinc/78/63/00/712786300.db2.gz TWLMSKISEPGSFG-XQHKEYJVSA-N 1 0 227.348 2.101 10 0 BEAERO CCCNC(=O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719222518 712799948 /nfs/dbraw/zinc/79/99/48/712799948.db2.gz BOCGWTHLWXTYDI-GFCCVEGCSA-N 1 0 240.391 2.461 10 0 BEAERO CCCNC(=O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719222521 712800327 /nfs/dbraw/zinc/80/03/27/712800327.db2.gz BOCGWTHLWXTYDI-LBPRGKRZSA-N 1 0 240.391 2.461 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]CCn1cncn1 ZINC000719274854 712803121 /nfs/dbraw/zinc/80/31/21/712803121.db2.gz GXONDDDWDRBBEO-LBPRGKRZSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@@](C)(O)C[NH+]1CCC(CSC)CC1 ZINC000719317019 712804196 /nfs/dbraw/zinc/80/41/96/712804196.db2.gz UZDOVFKVDOOGSR-GFCCVEGCSA-N 1 0 231.405 2.222 10 0 BEAERO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)c1cn(C)nn1 ZINC000720592687 712856129 /nfs/dbraw/zinc/85/61/29/712856129.db2.gz ZSKCJWBRJWMHJN-OUAUKWLOSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(CC(C)(C)C)no1 ZINC000722621563 710718474 /nfs/dbraw/zinc/71/84/74/710718474.db2.gz CEDPLFRRVRNTGE-NXEZZACHSA-N 1 0 237.347 2.056 10 0 BEAERO Cc1cnc(CN[C@H](C)[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000724048035 710736598 /nfs/dbraw/zinc/73/65/98/710736598.db2.gz LELYEXBSHXDHJL-ZIAGYGMSSA-N 1 0 247.386 2.319 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2cccc(Cl)n2)C1 ZINC000724076075 710737000 /nfs/dbraw/zinc/73/70/00/710737000.db2.gz RYRKTTKITNNTDV-DTWKUNHWSA-N 1 0 225.723 2.274 10 0 BEAERO O[C@@H](CC[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000721330601 710675428 /nfs/dbraw/zinc/67/54/28/710675428.db2.gz WPSMWGJDJOTCSQ-QLFBSQMISA-N 1 0 249.354 2.003 10 0 BEAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000723091204 710726055 /nfs/dbraw/zinc/72/60/55/710726055.db2.gz GLIMVSPORMXVFD-WOPDTQHZSA-N 1 0 225.332 2.060 10 0 BEAERO CC[C@@H]1C[C@H]1C[NH2+][C@@H](CO)c1ccccc1 ZINC000723068572 711499151 /nfs/dbraw/zinc/49/91/51/711499151.db2.gz FQTQECYEMXAEMG-XBFCOCLRSA-N 1 0 219.328 2.356 10 0 BEAERO Cc1cc(C)nc(CN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000723845282 711539037 /nfs/dbraw/zinc/53/90/37/711539037.db2.gz GUMBKNKSYWBIDT-HNNXBMFYSA-N 1 0 247.386 2.272 10 0 BEAERO Cc1cn(C)nc1C[NH2+]C1(C(C)C)CC1 ZINC000723936698 711545438 /nfs/dbraw/zinc/54/54/38/711545438.db2.gz YYGICNBDMQDYPK-UHFFFAOYSA-N 1 0 207.321 2.007 10 0 BEAERO Cc1cnc(C[NH2+]Cc2cccn2C)c(C)c1 ZINC000724023130 711556934 /nfs/dbraw/zinc/55/69/34/711556934.db2.gz MXPUDGRGFOKBLB-UHFFFAOYSA-N 1 0 229.327 2.327 10 0 BEAERO Cc1cnc(C[NH2+]CC[C@H]2CCOC2)c(C)c1 ZINC000724097383 711560771 /nfs/dbraw/zinc/56/07/71/711560771.db2.gz HRAJNBRAWWNSLY-ZDUSSCGKSA-N 1 0 234.343 2.215 10 0 BEAERO Cc1cc2ccccc2nc1N(C)C[C@@H](C)[NH3+] ZINC000111375724 711588117 /nfs/dbraw/zinc/58/81/17/711588117.db2.gz NUFPRNAHHGJMBD-LLVKDONJSA-N 1 0 229.327 2.327 10 0 BEAERO CC1(C)C[C@@H]1c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000225430324 711756448 /nfs/dbraw/zinc/75/64/48/711756448.db2.gz UERJOJFKBLTWDY-VHSXEESVSA-N 1 0 235.331 2.125 10 0 BEAERO Cc1ccc(CCc2nc([C@H](C)C[NH3+])no2)cc1 ZINC000054158520 711766161 /nfs/dbraw/zinc/76/61/61/711766161.db2.gz NCAXVVLHTUYASP-LLVKDONJSA-N 1 0 245.326 2.225 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000721246246 711794310 /nfs/dbraw/zinc/79/43/10/711794310.db2.gz QRNOVWZLDBBHGV-FQUUOJAGSA-N 1 0 241.375 2.491 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000721245705 711794373 /nfs/dbraw/zinc/79/43/73/711794373.db2.gz BAXOCYLSVRAQLO-MELADBBJSA-N 1 0 241.375 2.493 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCCSC1)N1CCCCC1 ZINC000061588821 711839113 /nfs/dbraw/zinc/83/91/13/711839113.db2.gz COZMWTRXIIQDGG-CHWSQXEVSA-N 1 0 242.432 2.346 10 0 BEAERO [NH3+]CCN(Cc1cccc(F)c1)C1CCC1 ZINC000211555104 711852801 /nfs/dbraw/zinc/85/28/01/711852801.db2.gz YJCPAEYKFKGUTF-UHFFFAOYSA-N 1 0 222.307 2.139 10 0 BEAERO CC[C@H]1CCC[C@H]1[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700466627 711993775 /nfs/dbraw/zinc/99/37/75/711993775.db2.gz CDZFBGOHIWUELZ-WDEREUQCSA-N 1 0 235.331 2.159 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H](C)C2CCCC2)n1 ZINC000700466585 711993844 /nfs/dbraw/zinc/99/38/44/711993844.db2.gz WOIMZPKHJFZXES-JTQLQIEISA-N 1 0 235.331 2.159 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000700467775 711994058 /nfs/dbraw/zinc/99/40/58/711994058.db2.gz YTGSHKVPTYXDBW-MVWJERBFSA-N 1 0 249.358 2.405 10 0 BEAERO CCC(C)(C)[C@H](C)[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700480750 711994231 /nfs/dbraw/zinc/99/42/31/711994231.db2.gz UYQFVBZKMZQBQW-JTQLQIEISA-N 1 0 237.347 2.405 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@H]2CC3CCC2CC3)n1 ZINC000700482201 711994445 /nfs/dbraw/zinc/99/44/45/711994445.db2.gz HZLZGCDUYLPQBI-MCIGGMRASA-N 1 0 247.342 2.159 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000700463072 711996047 /nfs/dbraw/zinc/99/60/47/711996047.db2.gz RIQKXSQVBYTFLG-JFGNBEQYSA-N 1 0 249.358 2.405 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1c1nc([C@@H]2CC23CC3)no1 ZINC000700542618 711996742 /nfs/dbraw/zinc/99/67/42/711996742.db2.gz XFKXRKFILJQBQE-LPEHRKFASA-N 1 0 233.315 2.322 10 0 BEAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1(Cl)CC1 ZINC000702262514 712042142 /nfs/dbraw/zinc/04/21/42/712042142.db2.gz HJJBAGUVRZPPPI-RKDXNWHRSA-N 1 0 219.756 2.143 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@]1(C)CC1(C)C ZINC000702403500 712051099 /nfs/dbraw/zinc/05/10/99/712051099.db2.gz GQFZDNSMXIYSKO-GWCFXTLKSA-N 1 0 213.365 2.419 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1nnc(C)[nH]1)[C@H]1C[C@@H]1C ZINC000321925881 712080470 /nfs/dbraw/zinc/08/04/70/712080470.db2.gz RTYYAHKQUHHGRL-OEIWMXHLSA-N 1 0 222.336 2.198 10 0 BEAERO Cc1c(C[NH2+]CC(C)(C)CC(F)F)cnn1C ZINC000710391368 712253124 /nfs/dbraw/zinc/25/31/24/712253124.db2.gz IYYQAUPEGWZKGU-UHFFFAOYSA-N 1 0 245.317 2.500 10 0 BEAERO C[C@@H](COc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000710726714 712255365 /nfs/dbraw/zinc/25/53/65/712255365.db2.gz BHKBAICIPTVCOS-NWANDNLSSA-N 1 0 249.354 2.347 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1c1nc([C@@H]2CC23CC3)no1 ZINC000710930383 712265895 /nfs/dbraw/zinc/26/58/95/712265895.db2.gz LHSXVZVGAIMTHA-DTWKUNHWSA-N 1 0 233.315 2.050 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCC1(OC)OC)C(C)C ZINC000710966889 712269437 /nfs/dbraw/zinc/26/94/37/712269437.db2.gz LMRCVRXFTGAALV-MNOVXSKESA-N 1 0 215.337 2.162 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)c1 ZINC000711189695 712287933 /nfs/dbraw/zinc/28/79/33/712287933.db2.gz ALAILGZDZHETOK-BTTYYORXSA-N 1 0 233.359 2.360 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@@H]2C=CCC2)[C@@H]2CCO[C@H]21 ZINC000711726001 712322384 /nfs/dbraw/zinc/32/23/84/712322384.db2.gz CZNVAYWKQJXDJY-YVECIDJPSA-N 1 0 221.344 2.356 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1nccc2cccnc21 ZINC000716920866 712385535 /nfs/dbraw/zinc/38/55/35/712385535.db2.gz ZUDABYIZOMPZNG-GFCCVEGCSA-N 1 0 244.342 2.415 10 0 BEAERO Cc1nonc1C[NH2+]C1(C2CCC2)CCC1 ZINC000717854192 712396500 /nfs/dbraw/zinc/39/65/00/712396500.db2.gz UQAKVKFESNSCJX-UHFFFAOYSA-N 1 0 221.304 2.190 10 0 BEAERO C[C@@H](C[N@H+](C)[C@@H](CN)C1CC1)C(C)(C)C ZINC000379779774 712398862 /nfs/dbraw/zinc/39/88/62/712398862.db2.gz BSGWSJISSZQMNN-JQWIXIFHSA-N 1 0 212.381 2.338 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712676490 712440569 /nfs/dbraw/zinc/44/05/69/712440569.db2.gz VJWXRJAVNNFDRC-AGIUHOORSA-N 1 0 225.376 2.419 10 0 BEAERO C(CN1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000712719465 712448687 /nfs/dbraw/zinc/44/86/87/712448687.db2.gz LIHPTHMFSLXMEV-ILXRZTDVSA-N 1 0 234.387 2.203 10 0 BEAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C(C)C ZINC000712989021 712450603 /nfs/dbraw/zinc/45/06/03/712450603.db2.gz JUIAOIFMDVFRPP-WDEREUQCSA-N 1 0 228.380 2.157 10 0 BEAERO CC(C)[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000712989018 712450629 /nfs/dbraw/zinc/45/06/29/712450629.db2.gz JUIAOIFMDVFRPP-QWRGUYRKSA-N 1 0 228.380 2.157 10 0 BEAERO C=C/C=C\CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000713645845 712468294 /nfs/dbraw/zinc/46/82/94/712468294.db2.gz UXHPIJQNPJRXDO-KVOUUQTQSA-N 1 0 221.344 2.212 10 0 BEAERO CC[C@H]([NH2+]C1CC(COC)C1)[C@@H]1C[C@@H]1C ZINC000713971592 712475539 /nfs/dbraw/zinc/47/55/39/712475539.db2.gz RIFHISQPFORFJK-NVNOCSQKSA-N 1 0 211.349 2.436 10 0 BEAERO COCC1CC([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000713996592 712477141 /nfs/dbraw/zinc/47/71/41/712477141.db2.gz XRMNAVNQTJOUQD-LMWSTFAQSA-N 1 0 249.354 2.338 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@H]2CCCC[C@@H]2C)n1 ZINC000714450061 712490191 /nfs/dbraw/zinc/49/01/91/712490191.db2.gz PAWFSWGPLQGZIC-AEJSXWLSSA-N 1 0 223.320 2.426 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2nccc3ccccc32)C1 ZINC000715067337 712505534 /nfs/dbraw/zinc/50/55/34/712505534.db2.gz NWLIJPCNWLQKMN-KLPPZKSPSA-N 1 0 227.311 2.384 10 0 BEAERO Cc1nc2ccccc2nc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715114507 712509798 /nfs/dbraw/zinc/50/97/98/712509798.db2.gz VYUDQBPEZCKPKH-XYPYZODXSA-N 1 0 242.326 2.087 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@H]1CCCS1 ZINC000715832352 712534093 /nfs/dbraw/zinc/53/40/93/712534093.db2.gz KRUXGWZWGICXBJ-MNOVXSKESA-N 1 0 231.405 2.269 10 0 BEAERO CCCn1cc([C@@H](C)[NH2+][C@@H](C)C(C)C)nn1 ZINC000715849119 712535851 /nfs/dbraw/zinc/53/58/51/712535851.db2.gz DOLLJINYTCZVIY-WDEREUQCSA-N 1 0 224.352 2.383 10 0 BEAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000037142647 712551898 /nfs/dbraw/zinc/55/18/98/712551898.db2.gz HKVYWJVQWRFURL-LLVKDONJSA-N 1 0 238.375 2.022 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCCC1CC1 ZINC000716358444 712556273 /nfs/dbraw/zinc/55/62/73/712556273.db2.gz CTSKLHUXAHBNSM-CHWSQXEVSA-N 1 0 238.375 2.058 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCCC1CC1 ZINC000716359097 712556319 /nfs/dbraw/zinc/55/63/19/712556319.db2.gz FNZPLVPEYAZKCX-ZDUSSCGKSA-N 1 0 238.375 2.073 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCCC1CC1 ZINC000716398898 712558073 /nfs/dbraw/zinc/55/80/73/712558073.db2.gz QOOWMWPMBXTDRZ-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO CC1(C)CCC(C[NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716685091 712569746 /nfs/dbraw/zinc/56/97/46/712569746.db2.gz QBXQTFZLVDGTNC-UHFFFAOYSA-N 1 0 238.375 2.056 10 0 BEAERO Cc1ccc(C)c([C@@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716723886 712571054 /nfs/dbraw/zinc/57/10/54/712571054.db2.gz SKDCNDGCTLYQJT-PNESKVBLSA-N 1 0 246.354 2.218 10 0 BEAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(C)cc1 ZINC000716724342 712571080 /nfs/dbraw/zinc/57/10/80/712571080.db2.gz VRJGSKSPEQLWAC-RUXDESIVSA-N 1 0 246.354 2.300 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1nccc2cccnc21 ZINC000716901177 712581297 /nfs/dbraw/zinc/58/12/97/712581297.db2.gz VOFFAGDSUPYLHK-VHSXEESVSA-N 1 0 230.315 2.168 10 0 BEAERO C[C@H]1CC[C@@H](Nc2nccc3cccnc32)C[NH2+]1 ZINC000716918546 712582339 /nfs/dbraw/zinc/58/23/39/712582339.db2.gz QJEDURGECZFGMF-CMPLNLGQSA-N 1 0 242.326 2.182 10 0 BEAERO COC(C[NH2+][C@H](C)c1cccc(C)c1)OC ZINC000037473130 712644171 /nfs/dbraw/zinc/64/41/71/712644171.db2.gz YSZGBMHSTGKUJP-LLVKDONJSA-N 1 0 223.316 2.265 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717820372 712681292 /nfs/dbraw/zinc/68/12/92/712681292.db2.gz VJCBVBDVQWYVIO-ZDUSSCGKSA-N 1 0 241.375 2.086 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000380114264 712687493 /nfs/dbraw/zinc/68/74/93/712687493.db2.gz PACVLTUNAGFFCQ-SDDRHHMPSA-N 1 0 213.365 2.418 10 0 BEAERO CC[C@H](NC(=O)CC1CC([NH3+])C1)c1ccccc1 ZINC000718051970 712739418 /nfs/dbraw/zinc/73/94/18/712739418.db2.gz YJQYYJVJDDOAEQ-UBHUBRDASA-N 1 0 246.354 2.381 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000718786742 712783077 /nfs/dbraw/zinc/78/30/77/712783077.db2.gz HFTDMZJTUXBXKG-IGQOVBAYSA-N 1 0 241.375 2.227 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000718785575 712783139 /nfs/dbraw/zinc/78/31/39/712783139.db2.gz DGEHINLKZUIZKF-YNEHKIRRSA-N 1 0 243.391 2.331 10 0 BEAERO [NH3+]C1(CNc2ccnc3ncccc23)CCCC1 ZINC000718929275 712788181 /nfs/dbraw/zinc/78/81/81/712788181.db2.gz GOUWAHGTPDXZTQ-UHFFFAOYSA-N 1 0 242.326 2.313 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccnc2ncccc12 ZINC000718930729 712788619 /nfs/dbraw/zinc/78/86/19/712788619.db2.gz QGUMNHMUTHHEAF-MFKMUULPSA-N 1 0 242.326 2.040 10 0 BEAERO COC[C@](C)(O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719264152 712801815 /nfs/dbraw/zinc/80/18/15/712801815.db2.gz DWDZJTVXVAFXMQ-TZMCWYRMSA-N 1 0 243.391 2.332 10 0 BEAERO Cc1n[nH]c(C[NH2+]C[C@]23CCC[C@H]2OCC3)c1C ZINC000720158988 712828144 /nfs/dbraw/zinc/82/81/44/712828144.db2.gz XGABNDBZBNFBQI-ZIAGYGMSSA-N 1 0 249.358 2.075 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000720183734 712828731 /nfs/dbraw/zinc/82/87/31/712828731.db2.gz JVROPHIUKSWRQA-UMSGYPCISA-N 1 0 241.400 2.429 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000722086450 712831210 /nfs/dbraw/zinc/83/12/10/712831210.db2.gz CRRLCLIQOJZUBJ-GFCCVEGCSA-N 1 0 225.332 2.047 10 0 BEAERO C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1cn(C)nn1 ZINC000720591569 712855808 /nfs/dbraw/zinc/85/58/08/712855808.db2.gz PHFLAFQBWKVFEO-KXNHARMFSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCC12CCC2)c1cn(C)nn1 ZINC000720592202 712855833 /nfs/dbraw/zinc/85/58/33/712855833.db2.gz UMVXUZVWBGQXNS-PWSUYJOCSA-N 1 0 234.347 2.189 10 0 BEAERO C[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1cn(C)nn1 ZINC000720595225 712856524 /nfs/dbraw/zinc/85/65/24/712856524.db2.gz JUIUYZXMRBPONE-VXGBXAGGSA-N 1 0 234.347 2.355 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)c1cn(C)nn1 ZINC000720602208 712857541 /nfs/dbraw/zinc/85/75/41/712857541.db2.gz KKEDXONMLJJDPQ-CYZMBNFOSA-N 1 0 248.374 2.435 10 0 BEAERO CC1(c2nc(C[C@H]3CCC[NH2+]C3)no2)CCC1 ZINC000720676598 712861470 /nfs/dbraw/zinc/86/14/70/712861470.db2.gz UGSRNZLRHCVDMH-SNVBAGLBSA-N 1 0 235.331 2.053 10 0 BEAERO C[NH2+]CCN(c1ncnc2ccccc21)C(C)C ZINC000720798508 712866507 /nfs/dbraw/zinc/86/65/07/712866507.db2.gz IAPKTTDCXQRZCO-UHFFFAOYSA-N 1 0 244.342 2.064 10 0 BEAERO C[C@@H]1CC[C@@](CO)([N@H+](C)C/C=C\Cl)C1 ZINC000588527978 958957196 /nfs/dbraw/zinc/95/71/96/958957196.db2.gz QPTUBHFSAIHZHB-KQLCGWBMSA-N 1 0 217.740 2.222 10 0 BEAERO CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000055086174 1169141870 /nfs/dbraw/zinc/14/18/70/1169141870.db2.gz IVYSLXAEOJKRAH-CHWSQXEVSA-N 1 0 238.375 2.295 10 0 BEAERO Cc1cc(C)cc(-n2ncc(C[NH2+]C(C)C)n2)c1 ZINC000051174848 958408883 /nfs/dbraw/zinc/40/88/83/958408883.db2.gz ZILPSTATBQDGEK-UHFFFAOYSA-N 1 0 244.342 2.382 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000135288064 963063340 /nfs/dbraw/zinc/06/33/40/963063340.db2.gz WTGSSXWFBHUSFG-UPJWGTAASA-N 1 0 238.375 2.008 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C1(C)CC1 ZINC000037155178 1170934251 /nfs/dbraw/zinc/93/42/51/1170934251.db2.gz AZHUZTHVVXNZNS-WDEREUQCSA-N 1 0 207.321 2.050 10 0 BEAERO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CCCCN1C ZINC000044561879 1171392265 /nfs/dbraw/zinc/39/22/65/1171392265.db2.gz OAHCZRYJVNZRFH-OLZOCXBDSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1C[C@@]2(CC(C)(C)C1)C(=O)CC[N@H+]2C ZINC000685954569 538899454 /nfs/dbraw/zinc/89/94/54/538899454.db2.gz OHOAXCVQODNSEP-GXFFZTMASA-N 1 0 209.333 2.476 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@@H](C)c1ccc(F)cc1 ZINC000685963656 538910646 /nfs/dbraw/zinc/91/06/46/538910646.db2.gz VGZBDWGCVXLPMJ-CMPLNLGQSA-N 1 0 225.307 2.147 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000685959762 538907316 /nfs/dbraw/zinc/90/73/16/538907316.db2.gz RVTTZEIBHASZGJ-PTRXPTGYSA-N 1 0 213.321 2.092 10 0 BEAERO CCC[C@H](CCC[NH2+]CCCOC)OC ZINC000685960881 538907833 /nfs/dbraw/zinc/90/78/33/538907833.db2.gz GESPGGXXOVVWQL-GFCCVEGCSA-N 1 0 217.353 2.208 10 0 BEAERO CC(C)C(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685961090 538908073 /nfs/dbraw/zinc/90/80/73/538908073.db2.gz BIABTUZMCIHKNJ-YPMHNXCESA-N 1 0 235.327 2.144 10 0 BEAERO CCC[N@H+](CC)C[C@H]1C[C@]1(CO)C(C)C ZINC000685961714 538908552 /nfs/dbraw/zinc/90/85/52/538908552.db2.gz VQTVVMVDRASOKR-OLZOCXBDSA-N 1 0 213.365 2.373 10 0 BEAERO CCC[N@H+](CC)C[C@H]1C[C@@]1(CO)C(C)C ZINC000685961713 538908781 /nfs/dbraw/zinc/90/87/81/538908781.db2.gz VQTVVMVDRASOKR-CHWSQXEVSA-N 1 0 213.365 2.373 10 0 BEAERO CCC(C)(C)[NH2+]C[C@H]1C[C@@]1(CO)C(C)C ZINC000685961901 538908922 /nfs/dbraw/zinc/90/89/22/538908922.db2.gz XJJDKFCPMTWEGI-DGCLKSJQSA-N 1 0 213.365 2.419 10 0 BEAERO C[NH2+]CCC(=O)C[C@H](C)COCc1ccccc1 ZINC000685962339 538908999 /nfs/dbraw/zinc/90/89/99/538908999.db2.gz DBRMKTBVSAZLGR-ZDUSSCGKSA-N 1 0 249.354 2.408 10 0 BEAERO COCCC[NH2+]C[C@@H](C)CC(C)(C)OC ZINC000685961990 538909323 /nfs/dbraw/zinc/90/93/23/538909323.db2.gz ZZXKSEXAOINUGN-NSHDSACASA-N 1 0 217.353 2.064 10 0 BEAERO OC[C@@H](CC[NH2+]C1CCC1)C1CCCC1 ZINC000685962972 538909870 /nfs/dbraw/zinc/90/98/70/538909870.db2.gz CJMKBRRYZODSRR-GFCCVEGCSA-N 1 0 211.349 2.317 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@@H]1C ZINC000685963231 538910133 /nfs/dbraw/zinc/91/01/33/538910133.db2.gz JXSWPDBAUAHPMJ-YNEHKIRRSA-N 1 0 213.365 2.421 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@H](C)c1ccccc1 ZINC000685963109 538910245 /nfs/dbraw/zinc/91/02/45/538910245.db2.gz GLVVHPIFTZZYCN-DGCLKSJQSA-N 1 0 207.317 2.008 10 0 BEAERO Cc1cc(C)n([C@H](C[NH3+])c2ccccc2)n1 ZINC000042899540 177932271 /nfs/dbraw/zinc/93/22/71/177932271.db2.gz WQKODGRUKJODAX-CYBMUJFWSA-N 1 0 215.300 2.048 10 0 BEAERO C=C(OCC)c1ccc(OC)cc1C[NH3+] ZINC000685965027 538911608 /nfs/dbraw/zinc/91/16/08/538911608.db2.gz LICZOPXYADYCSN-UHFFFAOYSA-N 1 0 207.273 2.161 10 0 BEAERO [NH3+]CC[C@H]1Cc2cccc(C(F)(F)F)c2O1 ZINC000685965336 538911640 /nfs/dbraw/zinc/91/16/40/538911640.db2.gz ABULOGUJUXQMER-QMMMGPOBSA-N 1 0 231.217 2.358 10 0 BEAERO C[C@]1(N)C[NH2+]C[C@H]1c1ccc(C(F)F)cc1 ZINC000685965355 538911675 /nfs/dbraw/zinc/91/16/75/538911675.db2.gz AYTDJQLWARFBMB-JQWIXIFHSA-N 1 0 226.270 2.028 10 0 BEAERO CC(C)c1cccc([C@@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965365 538911707 /nfs/dbraw/zinc/91/17/07/538911707.db2.gz BDRAOLJIMOXIGA-UONOGXRCSA-N 1 0 218.344 2.214 10 0 BEAERO CCCc1cccc([C@@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965609 538911819 /nfs/dbraw/zinc/91/18/19/538911819.db2.gz LDPYQMUJUQIXJD-KBPBESRZSA-N 1 0 218.344 2.043 10 0 BEAERO CCCc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685965360 538911868 /nfs/dbraw/zinc/91/18/68/538911868.db2.gz BALJASYZGZYNFY-UONOGXRCSA-N 1 0 218.344 2.043 10 0 BEAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1ccc(C(F)F)cc1 ZINC000685965357 538912070 /nfs/dbraw/zinc/91/20/70/538912070.db2.gz AYTDJQLWARFBMB-ZYHUDNBSSA-N 1 0 226.270 2.028 10 0 BEAERO C[C@@H]([NH3+])Cc1csc(-c2cscn2)n1 ZINC000165793093 343977098 /nfs/dbraw/zinc/97/70/98/343977098.db2.gz VCXHVSAZWBNBMR-ZCFIWIBFSA-N 1 0 225.342 2.156 10 0 BEAERO CCC(CC)(C[NH2+]Cc1cnn(C)c1C)OC ZINC000310530696 168325223 /nfs/dbraw/zinc/32/52/23/168325223.db2.gz NXCUNFGUWCWYQZ-UHFFFAOYSA-N 1 0 239.363 2.023 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378702419 346811870 /nfs/dbraw/zinc/81/18/70/346811870.db2.gz OBDLGMSZQUDFGI-DGORSVRFSA-N 1 0 209.333 2.046 10 0 BEAERO C[C@@H](F)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378716436 346814295 /nfs/dbraw/zinc/81/42/95/346814295.db2.gz ZZRPJYHHWRAKSW-RCWTZXSCSA-N 1 0 215.312 2.138 10 0 BEAERO C[C@H](F)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378716435 346814214 /nfs/dbraw/zinc/81/42/14/346814214.db2.gz ZZRPJYHHWRAKSW-NAKRPEOUSA-N 1 0 215.312 2.138 10 0 BEAERO CCC(CC)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746735 168332314 /nfs/dbraw/zinc/33/23/14/168332314.db2.gz HRFZBDZEYAXSAM-FUNVUKJBSA-N 1 0 238.375 2.164 10 0 BEAERO c1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000616612247 349508114 /nfs/dbraw/zinc/50/81/14/349508114.db2.gz ZSENSWPDVVMHCA-CYBMUJFWSA-N 1 0 227.311 2.399 10 0 BEAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378718636 346815119 /nfs/dbraw/zinc/81/51/19/346815119.db2.gz OTVRUAYEMLWORE-DGORSVRFSA-N 1 0 209.333 2.188 10 0 BEAERO CCC(CC)C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000232891690 168335813 /nfs/dbraw/zinc/33/58/13/168335813.db2.gz JMVCBNGXUAOMBU-JQWIXIFHSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1cc(CN2CC[C@@H]([NH3+])[C@@H]2C)c(C)s1 ZINC000335913203 178000622 /nfs/dbraw/zinc/00/06/22/178000622.db2.gz UXJHFHVAOUKHIS-JOYOIKCWSA-N 1 0 224.373 2.286 10 0 BEAERO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1N ZINC000035787431 178005926 /nfs/dbraw/zinc/00/59/26/178005926.db2.gz ZKNRWWAKEHPCKT-NWDGAFQWSA-N 1 0 234.343 2.186 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H](C)N(C)C)cc(C)c1O ZINC000038087887 178022849 /nfs/dbraw/zinc/02/28/49/178022849.db2.gz XUUJZVZGONBIBY-GFCCVEGCSA-N 1 0 236.359 2.049 10 0 BEAERO Cc1cc(C[NH2+]CCc2nccn2C)c(C)s1 ZINC000049687025 178023123 /nfs/dbraw/zinc/02/31/23/178023123.db2.gz KVDHXHLSQOFKBA-UHFFFAOYSA-N 1 0 249.383 2.431 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC1=CCCCC1 ZINC000379795316 398168937 /nfs/dbraw/zinc/16/89/37/398168937.db2.gz CGGCIEBJRIPQPC-GFCCVEGCSA-N 1 0 211.349 2.483 10 0 BEAERO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)CO)c(C)s1 ZINC000131264111 178030072 /nfs/dbraw/zinc/03/00/72/178030072.db2.gz VTSZCQODNPLZQE-WPRPVWTQSA-N 1 0 227.373 2.471 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C)nc(C)n1 ZINC000309738695 178033182 /nfs/dbraw/zinc/03/31/82/178033182.db2.gz CXQHMQYJSPQRDS-NOZJJQNGSA-N 1 0 219.332 2.372 10 0 BEAERO c1cc2nnccc2c([C@@H]2CCCC[NH2+]2)c1 ZINC000616615356 398174799 /nfs/dbraw/zinc/17/47/99/398174799.db2.gz NLZPJVSTUNDLBT-LBPRGKRZSA-N 1 0 213.284 2.444 10 0 BEAERO CCC[C@H](CC)[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000336664808 398178634 /nfs/dbraw/zinc/17/86/34/398178634.db2.gz CXQIQQZYRSKIPW-AVGNSLFASA-N 1 0 212.381 2.495 10 0 BEAERO Cc1cc(COc2ccc(C[C@@H](C)[NH3+])cc2)on1 ZINC000037723742 178049462 /nfs/dbraw/zinc/04/94/62/178049462.db2.gz DCOVFRLQYFQBCH-SNVBAGLBSA-N 1 0 246.310 2.452 10 0 BEAERO Cc1cc(C[C@@H](C)[NH3+])c2ccccc2n1 ZINC000063024860 178053611 /nfs/dbraw/zinc/05/36/11/178053611.db2.gz CDUPEBRWXRVDIU-SECBINFHSA-N 1 0 200.285 2.433 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1snnc1C ZINC000379657528 398160900 /nfs/dbraw/zinc/16/09/00/398160900.db2.gz MNHKERVLNGBVCS-RKDXNWHRSA-N 1 0 211.334 2.125 10 0 BEAERO Cc1cc(Cl)cn2c([C@H](C)[NH3+])cnc12 ZINC000082693421 178070236 /nfs/dbraw/zinc/07/02/36/178070236.db2.gz MSOYQBWXIFNSPW-ZETCQYMHSA-N 1 0 209.680 2.316 10 0 BEAERO Cc1cc(Cl)nc(N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000095068928 178071983 /nfs/dbraw/zinc/07/19/83/178071983.db2.gz VAYSACOMRISDFR-RKDXNWHRSA-N 1 0 240.738 2.120 10 0 BEAERO Cc1cc(F)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000043324343 178091297 /nfs/dbraw/zinc/09/12/97/178091297.db2.gz DBQMMXDKEGTLNI-LLVKDONJSA-N 1 0 208.280 2.298 10 0 BEAERO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000162543964 538923069 /nfs/dbraw/zinc/92/30/69/538923069.db2.gz QLAHSJVMHVWHHR-SYEHKZFSSA-N 1 0 223.360 2.436 10 0 BEAERO C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000162544097 538923100 /nfs/dbraw/zinc/92/31/00/538923100.db2.gz QLAHSJVMHVWHHR-MGAJPHDKSA-N 1 0 223.360 2.436 10 0 BEAERO C[C@H](C[NH3+])Nc1cc(Br)ccc1F ZINC000235464874 398195129 /nfs/dbraw/zinc/19/51/29/398195129.db2.gz WFWHWWDHDFTVII-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO Cc1cc(N(C)c2cccc(C[NH3+])c2)nc(C)n1 ZINC000061951064 178102315 /nfs/dbraw/zinc/10/23/15/178102315.db2.gz KKGSOEWECQRDKD-UHFFFAOYSA-N 1 0 242.326 2.320 10 0 BEAERO Cc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+](C)C(C)C ZINC000019257429 178106028 /nfs/dbraw/zinc/10/60/28/178106028.db2.gz YMZCOQKIUAXPPL-NSHDSACASA-N 1 0 249.358 2.244 10 0 BEAERO Cc1cc(N)ccc1SCC[NH+](C)C ZINC000037193895 178107261 /nfs/dbraw/zinc/10/72/61/178107261.db2.gz YXISVYWKSNZIBW-UHFFFAOYSA-N 1 0 210.346 2.231 10 0 BEAERO CCCN(CC(C)C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000390676192 398200950 /nfs/dbraw/zinc/20/09/50/398200950.db2.gz VKIWVIFNGNUCQX-GFCCVEGCSA-N 1 0 228.380 2.254 10 0 BEAERO CO[C@H](C(C)C)[C@H]1[NH2+]C(C)(C)CS1 ZINC000306788997 398200964 /nfs/dbraw/zinc/20/09/64/398200964.db2.gz SQTYLPSVRYCMJE-BDAKNGLRSA-N 1 0 203.351 2.099 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000293904562 398206253 /nfs/dbraw/zinc/20/62/53/398206253.db2.gz HNOGKCXAHBCRFF-VWYCJHECSA-N 1 0 205.305 2.106 10 0 BEAERO C[N@@H+]1CCCCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616622181 398207097 /nfs/dbraw/zinc/20/70/97/398207097.db2.gz VZQLCKOMJHWUCR-ZDUSSCGKSA-N 1 0 232.327 2.332 10 0 BEAERO CCC(CC)C(=O)Nc1nc(CC[NH3+])cs1 ZINC000020267480 168342086 /nfs/dbraw/zinc/34/20/86/168342086.db2.gz FREIICAHLAUKRZ-UHFFFAOYSA-N 1 0 241.360 2.019 10 0 BEAERO Cc1cc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)ccc1O ZINC000235706339 178148382 /nfs/dbraw/zinc/14/83/82/178148382.db2.gz JMCIIWVRAKBWGX-QWRGUYRKSA-N 1 0 248.326 2.027 10 0 BEAERO Cc1cc(NC(=O)[C@](C)([NH3+])C2CC2)ccc1F ZINC000061119353 178149479 /nfs/dbraw/zinc/14/94/79/178149479.db2.gz XHYDHMIBMUQAIP-CYBMUJFWSA-N 1 0 236.290 2.200 10 0 BEAERO Cc1cc(NC(=O)c2c[nH+]ccc2N)ccc1F ZINC000127637885 178151352 /nfs/dbraw/zinc/15/13/52/178151352.db2.gz KANXQBSGCWTBNO-UHFFFAOYSA-N 1 0 245.257 2.364 10 0 BEAERO Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)nnc1C ZINC000302321423 178162100 /nfs/dbraw/zinc/16/21/00/178162100.db2.gz RINQETIJQZOJDG-NSHDSACASA-N 1 0 248.374 2.237 10 0 BEAERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(C(C)C)n1 ZINC000044502921 178166761 /nfs/dbraw/zinc/16/67/61/178166761.db2.gz JZIIRJZIXAWSFU-GFCCVEGCSA-N 1 0 248.374 2.320 10 0 BEAERO CC1(C)CC[C@H]([NH3+])CN1Cc1ccccc1 ZINC000258883213 349519301 /nfs/dbraw/zinc/51/93/01/349519301.db2.gz SWLVJRPGACPDIT-ZDUSSCGKSA-N 1 0 218.344 2.388 10 0 BEAERO Cc1cc(N[C@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000302314047 178188912 /nfs/dbraw/zinc/18/89/12/178188912.db2.gz PQKVVKGKOHIUHO-CMPLNLGQSA-N 1 0 206.289 2.105 10 0 BEAERO COC1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000164247453 538931972 /nfs/dbraw/zinc/93/19/72/538931972.db2.gz YBKVZDAMOWWNCO-BPCQOVAHSA-N 1 0 227.348 2.103 10 0 BEAERO Cc1cc(OCC[NH3+])c(C)cc1Br ZINC000011945865 178210990 /nfs/dbraw/zinc/21/09/90/178210990.db2.gz DFZOGSINPJJSHV-UHFFFAOYSA-N 1 0 244.132 2.403 10 0 BEAERO Cc1cccc2c(C)cc(OCC[NH3+])nc12 ZINC000039109797 178211127 /nfs/dbraw/zinc/21/11/27/178211127.db2.gz NOFFTVDKASINNN-UHFFFAOYSA-N 1 0 216.284 2.189 10 0 BEAERO Cc1cc(OC[C@@H]2C[NH2+]CCO2)ccc1C(C)C ZINC000011587445 178212088 /nfs/dbraw/zinc/21/20/88/178212088.db2.gz ADQCKWSIYXYJJH-AWEZNQCLSA-N 1 0 249.354 2.486 10 0 BEAERO Cc1cc(Oc2ccccc2CC[NH3+])ncn1 ZINC000011849408 178215279 /nfs/dbraw/zinc/21/52/79/178215279.db2.gz DFLUXUCXZHNMKT-UHFFFAOYSA-N 1 0 229.283 2.079 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)Oc1cc(F)ccc1F ZINC000070819845 361770723 /nfs/dbraw/zinc/77/07/23/361770723.db2.gz CKMAXERMHHPMNV-RQJHMYQMSA-N 1 0 201.216 2.079 10 0 BEAERO Cc1cc(SCC[C@H]2CCCC[NH2+]2)n(C)n1 ZINC000052311698 178218185 /nfs/dbraw/zinc/21/81/85/178218185.db2.gz FRNJNFGAYHBGQX-LLVKDONJSA-N 1 0 239.388 2.353 10 0 BEAERO Cc1cc(Sc2ccccc2CC[NH3+])n(C)n1 ZINC000104440949 178219458 /nfs/dbraw/zinc/21/94/58/178219458.db2.gz LZAFBTKGUPBJJH-UHFFFAOYSA-N 1 0 247.367 2.381 10 0 BEAERO Cc1cc(S[C@@H]2CCCC[C@H]2C[NH3+])n(C)n1 ZINC000052310491 178219502 /nfs/dbraw/zinc/21/95/02/178219502.db2.gz RGNQSNHFQACDGM-WDEREUQCSA-N 1 0 239.388 2.338 10 0 BEAERO Cc1cc(Sc2ccc(C[NH3+])cc2)n(C)n1 ZINC000052310431 178220006 /nfs/dbraw/zinc/22/00/06/178220006.db2.gz JEEJLXBPFFNOMB-UHFFFAOYSA-N 1 0 233.340 2.338 10 0 BEAERO FC(F)(F)c1ccc(NC2=[NH+]CCN2)cc1 ZINC000165684951 538936433 /nfs/dbraw/zinc/93/64/33/538936433.db2.gz JNCRUGMFHSWKLG-UHFFFAOYSA-N 1 0 229.205 2.077 10 0 BEAERO Cc1cc([C@@H](C[NH3+])N2CCCC2)ccc1F ZINC000050545799 178236206 /nfs/dbraw/zinc/23/62/06/178236206.db2.gz PUGIYIVPUYKSIT-CYBMUJFWSA-N 1 0 222.307 2.230 10 0 BEAERO Cc1cc([C@H](C)N2CCC([NH3+])CC2)c(C)o1 ZINC000020521412 178244256 /nfs/dbraw/zinc/24/42/56/178244256.db2.gz UMVACWDYYCYWOB-JTQLQIEISA-N 1 0 222.332 2.381 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@@H](C)C(C)C)nn1C ZINC000282176986 178251507 /nfs/dbraw/zinc/25/15/07/178251507.db2.gz MODHEAJYIRLDBN-QWRGUYRKSA-N 1 0 209.337 2.424 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000336775723 398237631 /nfs/dbraw/zinc/23/76/31/398237631.db2.gz ZUJBQMXSZWRNJF-FRRDWIJNSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1cc([C@H]([NH3+])C2CCOCC2)c(C)o1 ZINC000061672224 178262330 /nfs/dbraw/zinc/26/23/30/178262330.db2.gz OOPINVVERLNYOS-GFCCVEGCSA-N 1 0 209.289 2.323 10 0 BEAERO Cc1cc([C@H](O)[C@H]2CCC[NH2+]C2)ccc1F ZINC000032014485 178264004 /nfs/dbraw/zinc/26/40/04/178264004.db2.gz VZZBNJDSFIYKOO-AAEUAGOBSA-N 1 0 223.291 2.167 10 0 BEAERO Cc1cc2c(ccnc2NCC[NH+](C)C)o1 ZINC000302187489 178279414 /nfs/dbraw/zinc/27/94/14/178279414.db2.gz WHVPFWOYNKNSTP-UHFFFAOYSA-N 1 0 219.288 2.110 10 0 BEAERO Cc1cc2c(cc1C)CC(C[C@@H]1C[NH+]=CN1)C2 ZINC000013862123 178284842 /nfs/dbraw/zinc/28/48/42/178284842.db2.gz MOZAMAQLWQBIOW-OAHLLOKOSA-N 1 0 228.339 2.408 10 0 BEAERO Cc1cc2ccccc2nc1N[C@@H]1CC[NH2+]C1 ZINC000063106363 178298510 /nfs/dbraw/zinc/29/85/10/178298510.db2.gz MPKZYJRDVNWVLC-GFCCVEGCSA-N 1 0 227.311 2.317 10 0 BEAERO Cc1ccc(-c2ccc(NN)[nH+]n2)cc1C ZINC000011567890 178325427 /nfs/dbraw/zinc/32/54/27/178325427.db2.gz CFQTUEFJSKDWLL-UHFFFAOYSA-N 1 0 214.272 2.046 10 0 BEAERO CCC(CC)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290897 168367765 /nfs/dbraw/zinc/36/77/65/168367765.db2.gz GTTIOSKLOXMKTO-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000036789522 168367631 /nfs/dbraw/zinc/36/76/31/168367631.db2.gz UQAIEEAGSVYAKN-GHMZBOCLSA-N 1 0 226.364 2.022 10 0 BEAERO Cc1ccc(-c2c[nH]c(CCC[NH3+])n2)s1 ZINC000036874276 178317533 /nfs/dbraw/zinc/31/75/33/178317533.db2.gz PJOKUAXLYSQZNV-UHFFFAOYSA-N 1 0 221.329 2.338 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051792906 168367446 /nfs/dbraw/zinc/36/74/46/168367446.db2.gz GRMRDQFSERYKAU-JQWIXIFHSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCO1 ZINC000382417776 398256510 /nfs/dbraw/zinc/25/65/10/398256510.db2.gz WHMJKXVTKZEWTE-OFTGVCEQSA-N 1 0 227.348 2.100 10 0 BEAERO Cc1ccc(-c2nc([C@@H]([NH3+])C3CC3)no2)c(C)n1 ZINC000055331704 178335810 /nfs/dbraw/zinc/33/58/10/178335810.db2.gz AXOQYMZIYDEBPZ-NSHDSACASA-N 1 0 244.298 2.158 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])no2)c(C)c1 ZINC000041052269 178336030 /nfs/dbraw/zinc/33/60/30/178336030.db2.gz MCXDVWAXUFCBNV-SECBINFHSA-N 1 0 217.272 2.373 10 0 BEAERO Cc1ccc(-c2nccc(C[C@H](C)[NH3+])n2)cc1 ZINC000054834262 178339114 /nfs/dbraw/zinc/33/91/14/178339114.db2.gz UWOBPTRKNDSTGB-NSHDSACASA-N 1 0 227.311 2.342 10 0 BEAERO Cc1ccc(-c2nnc(CCC[NH3+])o2)c(C)c1 ZINC000050283551 178339749 /nfs/dbraw/zinc/33/97/49/178339749.db2.gz MBZQNIBEKGMWHK-UHFFFAOYSA-N 1 0 231.299 2.245 10 0 BEAERO Cc1ccc(-c2nnc(CC[NH2+]C3CC3)o2)cc1 ZINC000050620323 178341299 /nfs/dbraw/zinc/34/12/99/178341299.db2.gz SSFWNJWPWJIZOU-UHFFFAOYSA-N 1 0 243.310 2.340 10 0 BEAERO C[C@H]1CCC[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000383871829 398258792 /nfs/dbraw/zinc/25/87/92/398258792.db2.gz HXNNPKXASTWRBZ-WDEREUQCSA-N 1 0 236.363 2.298 10 0 BEAERO CCOC(=O)[C@@H](C)[N@H+](C)CC1CCSCC1 ZINC000602467365 349540074 /nfs/dbraw/zinc/54/00/74/349540074.db2.gz IPVBSASBKATOQK-SNVBAGLBSA-N 1 0 245.388 2.013 10 0 BEAERO Cc1nn(-c2ccc(C)cc2)c(C)c1C[NH3+] ZINC000019485827 178348134 /nfs/dbraw/zinc/34/81/34/178348134.db2.gz MBFFQLAJSSMGJQ-UHFFFAOYSA-N 1 0 215.300 2.256 10 0 BEAERO Cc1ccc(Br)cc1CC[NH3+] ZINC000083256216 178362390 /nfs/dbraw/zinc/36/23/90/178362390.db2.gz JBCGCYCMCRVXHQ-UHFFFAOYSA-N 1 0 214.106 2.259 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1nccs1 ZINC000386271763 398264216 /nfs/dbraw/zinc/26/42/16/398264216.db2.gz ZUZNXYYQDJKHEM-WDEREUQCSA-N 1 0 239.388 2.278 10 0 BEAERO CCC(CC)[N@H+](CCO)[C@@H]1CCCCCC1=O ZINC000042499914 168374636 /nfs/dbraw/zinc/37/46/36/168374636.db2.gz RGTZXPMNAGMKBD-CYBMUJFWSA-N 1 0 241.375 2.371 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2ccccc2N)C1 ZINC000616612783 349579248 /nfs/dbraw/zinc/57/92/48/349579248.db2.gz IYULSXDNTWDUME-LLVKDONJSA-N 1 0 204.317 2.467 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@H]1CCCC[C@@H]1N ZINC000042616018 168375244 /nfs/dbraw/zinc/37/52/44/168375244.db2.gz WPGVJAISNFLIGV-KBPBESRZSA-N 1 0 242.407 2.393 10 0 BEAERO CCC(CC)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054603359 168375879 /nfs/dbraw/zinc/37/58/79/168375879.db2.gz WPZUDVFXXUQODN-VGPLMAKISA-N 1 0 210.365 2.390 10 0 BEAERO Cc1cc([C@H](C)[NH2+]CC2CC(O)C2)cs1 ZINC000381645724 398268650 /nfs/dbraw/zinc/26/86/50/398268650.db2.gz XSNHYYQNLHKKHL-BMQDGWLCSA-N 1 0 225.357 2.478 10 0 BEAERO CCC(CC)[N@@H+](CCOC)[C@@H](CN)[C@H](C)CC ZINC000042614958 168376363 /nfs/dbraw/zinc/37/63/63/168376363.db2.gz XRYLSMVXJGJONX-OCCSQVGLSA-N 1 0 244.423 2.497 10 0 BEAERO CCC(CC)NC(=O)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000049285535 168376722 /nfs/dbraw/zinc/37/67/22/168376722.db2.gz NDQMZWTYKAEZLB-YPMHNXCESA-N 1 0 240.391 2.460 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2cccc3cccnc32)C1 ZINC000616613019 349603017 /nfs/dbraw/zinc/60/30/17/349603017.db2.gz GUNPGZMIVRKCML-ZDUSSCGKSA-N 1 0 242.322 2.016 10 0 BEAERO COC1CC([C@H]2[NH2+]CCc3sccc32)C1 ZINC000714509904 538956588 /nfs/dbraw/zinc/95/65/88/538956588.db2.gz ZWNMBOFVVAYLHM-SHVIVCPWSA-N 1 0 223.341 2.360 10 0 BEAERO CC[C@@H]([NH2+]Cc1ccnn1C)C(C)(C)C ZINC000165111604 361835193 /nfs/dbraw/zinc/83/51/93/361835193.db2.gz DKHRGWHNMYGRPY-LLVKDONJSA-N 1 0 209.337 2.334 10 0 BEAERO CC(C)[NH2+]C[C@H](O)[C@H]1CCc2ccccc2C1 ZINC000005442151 342701921 /nfs/dbraw/zinc/70/19/21/342701921.db2.gz HWUHKUGQGSTAGB-GJZGRUSLSA-N 1 0 233.355 2.150 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1cc(O)cc2cccnc21 ZINC000001607645 342705662 /nfs/dbraw/zinc/70/56/62/342705662.db2.gz ZJVLLKFLBQUFMW-JTQLQIEISA-N 1 0 245.326 2.480 10 0 BEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C1CCCC1 ZINC000034938753 168382119 /nfs/dbraw/zinc/38/21/19/168382119.db2.gz YBWSPXNNVKGWSU-SNVBAGLBSA-N 1 0 226.364 2.212 10 0 BEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccncc1 ZINC000038095444 538964535 /nfs/dbraw/zinc/96/45/35/538964535.db2.gz XRXBRUZHESUUMI-AAEUAGOBSA-N 1 0 220.316 2.301 10 0 BEAERO COc1ccc2c3c(n(C)c2c1)[C@@H](C)[NH2+]CC3 ZINC000215981211 342729824 /nfs/dbraw/zinc/72/98/24/342729824.db2.gz DEAACPMSCNNZMR-SECBINFHSA-N 1 0 230.311 2.394 10 0 BEAERO CCc1ncc(C[NH2+]CC[C@H]2CCCO2)s1 ZINC000038096496 538965091 /nfs/dbraw/zinc/96/50/91/538965091.db2.gz LVQMGXSXZINYKY-SNVBAGLBSA-N 1 0 240.372 2.364 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2[nH]nc3c2CCCCN3)C1 ZINC000003698322 342736576 /nfs/dbraw/zinc/73/65/76/342736576.db2.gz GGPAGYWSUHOXJM-NSHDSACASA-N 1 0 248.374 2.357 10 0 BEAERO CCOc1cc([C@@H]2C[C@@H](C)C[NH2+]2)ccc1O ZINC000003705293 342736856 /nfs/dbraw/zinc/73/68/56/342736856.db2.gz JJSWTYULFULIFV-KOLCDFICSA-N 1 0 221.300 2.461 10 0 BEAERO [NH3+][C@H]1COc2c1cc(Br)cc2Cl ZINC000035653777 342754055 /nfs/dbraw/zinc/75/40/55/342754055.db2.gz AZRSAUCDYTWXQC-ZETCQYMHSA-N 1 0 248.507 2.495 10 0 BEAERO CC[C@H]([NH3+])C(=O)c1c(F)ccc(C)c1F ZINC000226542353 342771412 /nfs/dbraw/zinc/77/14/12/342771412.db2.gz SIGNVKDYHCSWAC-QMMMGPOBSA-N 1 0 213.227 2.193 10 0 BEAERO c1ccc(CN2CCCCC23C[NH2+]C3)cc1 ZINC000147116502 342774021 /nfs/dbraw/zinc/77/40/21/342774021.db2.gz RHQUZQSWLPGIEO-UHFFFAOYSA-N 1 0 216.328 2.015 10 0 BEAERO [NH3+][C@@]12CN(Cc3ccccc3)C[C@H]1CCCC2 ZINC000138218956 342800803 /nfs/dbraw/zinc/80/08/03/342800803.db2.gz YSRKXDRZBDXBAH-CABCVRRESA-N 1 0 230.355 2.390 10 0 BEAERO [NH3+][C@@H]1COc2c1cc(Cl)cc2Cl ZINC000008699627 342802602 /nfs/dbraw/zinc/80/26/02/342802602.db2.gz OKEOLIUJGZJCIX-SSDOTTSWSA-N 1 0 204.056 2.386 10 0 BEAERO NC(=[NH2+])c1cc(C2CC2)n(Cc2ccccc2)n1 ZINC000147979476 342784812 /nfs/dbraw/zinc/78/48/12/342784812.db2.gz WJHLQXJXJNTFGD-UHFFFAOYSA-N 1 0 240.310 2.093 10 0 BEAERO COCc1nc(C[NH2+]C[C@@H]2CC2(C)C)cs1 ZINC000309684452 342787644 /nfs/dbraw/zinc/78/76/44/342787644.db2.gz GZSZJQCDGLLLRV-VIFPVBQESA-N 1 0 240.372 2.425 10 0 BEAERO C[NH+](C)[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000148198808 342789031 /nfs/dbraw/zinc/78/90/31/342789031.db2.gz KBZNJRSLCKMSKF-AWEZNQCLSA-N 1 0 218.344 2.213 10 0 BEAERO C[NH+](C)[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000148198982 342789097 /nfs/dbraw/zinc/78/90/97/342789097.db2.gz KBZNJRSLCKMSKF-CQSZACIVSA-N 1 0 218.344 2.213 10 0 BEAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cncs2)cn1 ZINC000188398811 538978453 /nfs/dbraw/zinc/97/84/53/538978453.db2.gz AJVVSZQYYCLKCY-LLVKDONJSA-N 1 0 248.355 2.004 10 0 BEAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cncs2)cn1 ZINC000188398790 538978590 /nfs/dbraw/zinc/97/85/90/538978590.db2.gz AJVVSZQYYCLKCY-NSHDSACASA-N 1 0 248.355 2.004 10 0 BEAERO COC[C@H](C)C[NH2+]CC1(N(C)C)CCCCC1 ZINC000131691559 323013435 /nfs/dbraw/zinc/01/34/35/323013435.db2.gz VEJMSLYHMSGBAR-CYBMUJFWSA-N 1 0 242.407 2.123 10 0 BEAERO C[C@@H]([NH2+][C@@H]1C[C@H]1CO)[C@@H](C)c1ccccc1 ZINC000378661333 538972779 /nfs/dbraw/zinc/97/27/79/538972779.db2.gz BNRQKNUEPZRTKD-MHDGFBEUSA-N 1 0 219.328 2.149 10 0 BEAERO Oc1cccc(SC[C@@H]2CC[NH2+]C2)c1 ZINC000127051783 342816982 /nfs/dbraw/zinc/81/69/82/342816982.db2.gz JFIWAUDSKSEASU-SECBINFHSA-N 1 0 209.314 2.094 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)o1 ZINC000040671996 538973157 /nfs/dbraw/zinc/97/31/57/538973157.db2.gz WHWCZUQIGAHLJN-NWDGAFQWSA-N 1 0 222.332 2.333 10 0 BEAERO Oc1cccc(S[C@@H]2CCC[NH2+]C2)c1 ZINC000127056286 342820702 /nfs/dbraw/zinc/82/07/02/342820702.db2.gz KHRFNEVNGSADFF-LLVKDONJSA-N 1 0 209.314 2.236 10 0 BEAERO Cc1c(C[NH2+][C@H]2CCC(F)(F)C2)cnn1C ZINC000381021535 538993819 /nfs/dbraw/zinc/99/38/19/538993819.db2.gz AGTPGHJJKFWNSU-JTQLQIEISA-N 1 0 229.274 2.006 10 0 BEAERO Cc1ccc(C(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000019415398 178446987 /nfs/dbraw/zinc/44/69/87/178446987.db2.gz PJQSBHOTVOIEEB-VIFPVBQESA-N 1 0 209.314 2.239 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+]Cc1cocn1 ZINC000380001396 538983806 /nfs/dbraw/zinc/98/38/06/538983806.db2.gz MZPLBBZSKURMAR-KOLCDFICSA-N 1 0 212.268 2.293 10 0 BEAERO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CC1 ZINC000390000887 539019823 /nfs/dbraw/zinc/01/98/23/539019823.db2.gz SUKZYLFVWOIXJK-AVGNSLFASA-N 1 0 211.349 2.314 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000390642045 539026725 /nfs/dbraw/zinc/02/67/25/539026725.db2.gz NCZPFQDKRYSXLR-KKJSVHSVSA-N 1 0 241.400 2.284 10 0 BEAERO CCCC[NH2+][C@H](CO)c1cccc(OC)c1 ZINC000390755973 539027282 /nfs/dbraw/zinc/02/72/82/539027282.db2.gz HMGSQDWRDXQEAL-CYBMUJFWSA-N 1 0 223.316 2.118 10 0 BEAERO Oc1ccc([C@H]2[NH2+]CCc3occc32)cc1 ZINC000709987842 539027699 /nfs/dbraw/zinc/02/76/99/539027699.db2.gz BTOCMDMVEVBUPN-CYBMUJFWSA-N 1 0 215.252 2.220 10 0 BEAERO Cc1nc(C[NH3+])cc(-c2ccc(F)c(F)c2)n1 ZINC000259067277 342839569 /nfs/dbraw/zinc/83/95/69/342839569.db2.gz NBADTNUGOPBACL-UHFFFAOYSA-N 1 0 235.237 2.189 10 0 BEAERO Cc1cc(C)n(C[C@H]([NH3+])c2ccccc2)n1 ZINC000011849687 342843777 /nfs/dbraw/zinc/84/37/77/342843777.db2.gz FRIVAMXAKSUKOJ-ZDUSSCGKSA-N 1 0 215.300 2.200 10 0 BEAERO CCC[NH2+][C@@H]1CCCCCC[C@H]1C(=O)OC ZINC000309923142 259325294 /nfs/dbraw/zinc/32/52/94/259325294.db2.gz UCRGTCFTWCJRIO-VXGBXAGGSA-N 1 0 227.348 2.498 10 0 BEAERO OCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000059653768 342852397 /nfs/dbraw/zinc/85/23/97/342852397.db2.gz VBUXKBBLHHYUKK-ZDUSSCGKSA-N 1 0 223.291 2.345 10 0 BEAERO OCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000059653771 342852539 /nfs/dbraw/zinc/85/25/39/342852539.db2.gz VBUXKBBLHHYUKK-CYBMUJFWSA-N 1 0 223.291 2.345 10 0 BEAERO CC[C@@H]([NH3+])c1nc([C@@H]2CCOC2)cs1 ZINC000164974133 342861426 /nfs/dbraw/zinc/86/14/26/342861426.db2.gz GTKVQKUERPQVHH-HTQZYQBOSA-N 1 0 212.318 2.057 10 0 BEAERO C[NH2+][C@@H]1CSC[C@H]1Cc1cccs1 ZINC000134590578 342871372 /nfs/dbraw/zinc/87/13/72/342871372.db2.gz ZTZIMZKMMOZLDE-PSASIEDQSA-N 1 0 213.371 2.242 10 0 BEAERO C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000059854303 342873441 /nfs/dbraw/zinc/87/34/41/342873441.db2.gz QRJDUMNXKQGUOC-UHFFFAOYSA-N 1 0 233.340 2.048 10 0 BEAERO [NH3+]CCn1ccc2c1cccc2Br ZINC000059731312 342858654 /nfs/dbraw/zinc/85/86/54/342858654.db2.gz BUGXKILNEZQGPX-UHFFFAOYSA-N 1 0 239.116 2.363 10 0 BEAERO ClC(Cl)=CCNC1=[NH+]CCCC1 ZINC000407147066 342895846 /nfs/dbraw/zinc/89/58/46/342895846.db2.gz OECCAAJTYSNDOG-UHFFFAOYSA-N 1 0 207.104 2.477 10 0 BEAERO c1cc(CC[NH2+]Cc2ccccn2)cs1 ZINC000042249142 398321791 /nfs/dbraw/zinc/32/17/91/398321791.db2.gz QFVDJWWINAFUQP-UHFFFAOYSA-N 1 0 218.325 2.475 10 0 BEAERO C[NH+](C)[C@H]1[C@H]2CC[C@H](C[C@@H]2O)[C@@H]1c1ccccc1 ZINC000036271183 342902417 /nfs/dbraw/zinc/90/24/17/342902417.db2.gz WSESHWZVUAAHCK-YXMSTPNBSA-N 1 0 245.366 2.491 10 0 BEAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037164895 342923291 /nfs/dbraw/zinc/92/32/91/342923291.db2.gz BUGILJPPLUOZDB-GHMZBOCLSA-N 1 0 225.357 2.450 10 0 BEAERO CC(C)(O)[C@H](c1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000116364077 342924927 /nfs/dbraw/zinc/92/49/27/342924927.db2.gz MVFUTDIWYISNEF-GFCCVEGCSA-N 1 0 241.281 2.039 10 0 BEAERO FCCC[N@@H+]1CCS[C@@H]2CCC[C@H]21 ZINC000306789679 398326074 /nfs/dbraw/zinc/32/60/74/398326074.db2.gz UFVSNFNHSBENPQ-NXEZZACHSA-N 1 0 203.326 2.316 10 0 BEAERO CC(C)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803699 398325371 /nfs/dbraw/zinc/32/53/71/398325371.db2.gz ZYUVXUOJVPZEAY-CYBMUJFWSA-N 1 0 248.374 2.033 10 0 BEAERO CCCCCOC[C@@H](O)C[NH+]1CCCCC1 ZINC000002476683 133444375 /nfs/dbraw/zinc/44/43/75/133444375.db2.gz WUGMVKUXFVFEBY-ZDUSSCGKSA-N 1 0 229.364 2.040 10 0 BEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000037476554 398327765 /nfs/dbraw/zinc/32/77/65/398327765.db2.gz JVIIEWXPDJCUFQ-RNFRBKRXSA-N 1 0 246.763 2.316 10 0 BEAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000037476552 398327882 /nfs/dbraw/zinc/32/78/82/398327882.db2.gz JVIIEWXPDJCUFQ-RQJHMYQMSA-N 1 0 246.763 2.316 10 0 BEAERO CC(C)C[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037482040 398328443 /nfs/dbraw/zinc/32/84/43/398328443.db2.gz FSJSDULLJHCXAF-VOMCLLRMSA-N 1 0 226.364 2.055 10 0 BEAERO [NH3+]CCOc1ccc2c(c1)[nH]c1ncccc21 ZINC000116593096 342929546 /nfs/dbraw/zinc/92/95/46/342929546.db2.gz IKDXRWUCPXWUAH-UHFFFAOYSA-N 1 0 227.267 2.054 10 0 BEAERO COC(C[NH2+][C@H](C)c1cccs1)OC ZINC000037473024 342933489 /nfs/dbraw/zinc/93/34/89/342933489.db2.gz VBIHGHMQJWPLGE-MRVPVSSYSA-N 1 0 215.318 2.018 10 0 BEAERO CC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000038120379 398336305 /nfs/dbraw/zinc/33/63/05/398336305.db2.gz ALKSTEWFTXATRU-SNVBAGLBSA-N 1 0 233.233 2.348 10 0 BEAERO CC[N@H+](CCC(C)=O)Cc1ccc2c(c1)OCO2 ZINC000120009055 398336814 /nfs/dbraw/zinc/33/68/14/398336814.db2.gz UCKNOCGBXCBNRW-UHFFFAOYSA-N 1 0 249.310 2.216 10 0 BEAERO C[C@@H]([NH3+])c1cnc(-c2cccnc2)s1 ZINC000011760721 398338188 /nfs/dbraw/zinc/33/81/88/398338188.db2.gz JCLHCJGBVBEYDP-SSDOTTSWSA-N 1 0 205.286 2.225 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[NH2+]C2CC2)c(C)c1 ZINC000037765419 398334223 /nfs/dbraw/zinc/33/42/23/398334223.db2.gz SSSOVPCBZBIZKR-LBPRGKRZSA-N 1 0 246.354 2.233 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])c(C)c1 ZINC000037765426 398334291 /nfs/dbraw/zinc/33/42/91/398334291.db2.gz DZZBASLBPPCLLY-VXGBXAGGSA-N 1 0 234.343 2.218 10 0 BEAERO CC(C)CN(C(=O)C1CCC([NH3+])CC1)C(C)C ZINC000037810206 398334890 /nfs/dbraw/zinc/33/48/90/398334890.db2.gz IZOMRBNSTIIHLC-UHFFFAOYSA-N 1 0 240.391 2.397 10 0 BEAERO c1cncc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916369 398335162 /nfs/dbraw/zinc/33/51/62/398335162.db2.gz VETUIURHQDMZIE-CABCVRRESA-N 1 0 245.370 2.046 10 0 BEAERO c1cc2c(c(C[NH2+]CC[C@@H]3CCCO3)c1)OCO2 ZINC000037991373 398335452 /nfs/dbraw/zinc/33/54/52/398335452.db2.gz VDMABBAEXKFQSN-LBPRGKRZSA-N 1 0 249.310 2.074 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(C)cc(C)n1 ZINC000175166595 346892775 /nfs/dbraw/zinc/89/27/75/346892775.db2.gz RFLILJNGHZVYGN-CYBMUJFWSA-N 1 0 248.374 2.014 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCc1ccccn1 ZINC000175340814 346894351 /nfs/dbraw/zinc/89/43/51/346894351.db2.gz BHUSGDHARGDXHQ-HNNXBMFYSA-N 1 0 247.386 2.040 10 0 BEAERO CCC[C@H]([NH2+]CCC[NH3+])c1ccccc1 ZINC000037713428 342943451 /nfs/dbraw/zinc/94/34/51/342943451.db2.gz QGCDOKFQVDKOGJ-ZDUSSCGKSA-N 1 0 206.333 2.466 10 0 BEAERO Cc1ccc(C)c(C2([NH3+])CCOCC2)c1 ZINC000063077174 178468069 /nfs/dbraw/zinc/46/80/69/178468069.db2.gz ITTDRSYPDVWJGG-UHFFFAOYSA-N 1 0 205.301 2.268 10 0 BEAERO C[C@H]([NH3+])Cc1cc(Br)ccc1F ZINC000019270877 342944918 /nfs/dbraw/zinc/94/49/18/342944918.db2.gz GWXIGTGDZHMEFQ-LURJTMIESA-N 1 0 232.096 2.478 10 0 BEAERO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=O)c1C ZINC000019514876 342950522 /nfs/dbraw/zinc/95/05/22/342950522.db2.gz BPXZUWKZDAPQMP-AWEZNQCLSA-N 1 0 234.343 2.402 10 0 BEAERO [NH3+][C@@H]1CCCc2cccc(Cl)c2[C@H]1O ZINC000019795492 342957851 /nfs/dbraw/zinc/95/78/51/342957851.db2.gz WGKKLMBVYZACAX-KOLCDFICSA-N 1 0 211.692 2.037 10 0 BEAERO [NH3+][C@@H]1CN(C2CCCC2)c2ccccc21 ZINC000019795790 342958266 /nfs/dbraw/zinc/95/82/66/342958266.db2.gz HFCUNTWVLDVQMT-GFCCVEGCSA-N 1 0 202.301 2.449 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1CC ZINC000020092026 342968764 /nfs/dbraw/zinc/96/87/64/342968764.db2.gz XZUSPJIKFBSHMU-AGIUHOORSA-N 1 0 212.381 2.495 10 0 BEAERO CCN(CC)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000020089695 342968807 /nfs/dbraw/zinc/96/88/07/342968807.db2.gz IZXVBBFLYJWRIA-CYBMUJFWSA-N 1 0 210.365 2.274 10 0 BEAERO Cc1ccc(C)c(C[C@@H](O)C[NH2+]C(C)C)c1 ZINC000071523482 178477249 /nfs/dbraw/zinc/47/72/49/178477249.db2.gz GYRVPXNZRIVGMK-CQSZACIVSA-N 1 0 221.344 2.205 10 0 BEAERO CCOc1ccc(C[NH3+])cc1OC(C)C ZINC000020177229 342974042 /nfs/dbraw/zinc/97/40/42/342974042.db2.gz DAUWAWJLLYNXET-UHFFFAOYSA-N 1 0 209.289 2.331 10 0 BEAERO COc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000235015748 342976011 /nfs/dbraw/zinc/97/60/11/342976011.db2.gz PVLNCVINKDPRES-HUUCEWRRSA-N 1 0 249.354 2.131 10 0 BEAERO Cc1ccc(C)c(C[C@H](O)C[NH2+]C(C)C)c1 ZINC000071523481 178477372 /nfs/dbraw/zinc/47/73/72/178477372.db2.gz GYRVPXNZRIVGMK-AWEZNQCLSA-N 1 0 221.344 2.205 10 0 BEAERO Nc1[nH+]c2ccccc2n1C1CCC(O)CC1 ZINC000020586100 342991662 /nfs/dbraw/zinc/99/16/62/342991662.db2.gz IKSPUIKLPBJONA-UHFFFAOYSA-N 1 0 231.299 2.095 10 0 BEAERO CC[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000020245917 342978542 /nfs/dbraw/zinc/97/85/42/342978542.db2.gz YPMHTNHRAXWCLF-LLVKDONJSA-N 1 0 230.315 2.155 10 0 BEAERO [NH3+][C@@H](CF)c1ccc(OC(F)F)cc1 ZINC000020285864 342980700 /nfs/dbraw/zinc/98/07/00/342980700.db2.gz OMESPTLWAHBLEZ-QMMMGPOBSA-N 1 0 205.179 2.257 10 0 BEAERO CCCO[C@H]1CC[C@H](C(F)(F)F)C[C@@H]1[NH3+] ZINC000020286048 342980723 /nfs/dbraw/zinc/98/07/23/342980723.db2.gz DPMIUWYTUBBRNQ-CIUDSAMLSA-N 1 0 225.254 2.471 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000211764224 343001407 /nfs/dbraw/zinc/00/14/07/343001407.db2.gz BMXWIVNQSLNMKD-WCQYABFASA-N 1 0 240.391 2.317 10 0 BEAERO CCCCOc1ccc(CC[NH3+])cc1OC ZINC000011805736 343020080 /nfs/dbraw/zinc/02/00/80/343020080.db2.gz KTAZFRWTCOUPJW-UHFFFAOYSA-N 1 0 223.316 2.375 10 0 BEAERO CCC[C@@]1(C)C[NH2+]C[C@H](C(F)(F)F)O1 ZINC000230704041 346915729 /nfs/dbraw/zinc/91/57/29/346915729.db2.gz WQTCGIHCVFJRSK-SFYZADRCSA-N 1 0 211.227 2.096 10 0 BEAERO Cc1ccc(C[NH2+]CCc2c[nH]cn2)s1 ZINC000045946243 343013260 /nfs/dbraw/zinc/01/32/60/343013260.db2.gz LEETZFXPURUWGS-UHFFFAOYSA-N 1 0 221.329 2.112 10 0 BEAERO CCC(O)(CC)C[NH+]1CC2(C1)CCCC2 ZINC000123517045 168419691 /nfs/dbraw/zinc/41/96/91/168419691.db2.gz NGMDWYJRUSAUIB-UHFFFAOYSA-N 1 0 211.349 2.414 10 0 BEAERO Cc1ccc(C)c(OCCCC(N)=[NH2+])c1 ZINC000019481244 178488023 /nfs/dbraw/zinc/48/80/23/178488023.db2.gz YVDHCISQNOLYHW-UHFFFAOYSA-N 1 0 206.289 2.398 10 0 BEAERO CC(=O)Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000072201858 343068767 /nfs/dbraw/zinc/06/87/67/343068767.db2.gz RBSUEOUVNPAGKH-GFCCVEGCSA-N 1 0 204.273 2.070 10 0 BEAERO CC(=O)Nc1cccc([C@H]2CCC[NH2+]2)c1 ZINC000072201860 343068779 /nfs/dbraw/zinc/06/87/79/343068779.db2.gz RPFLVYPXWSFWID-GFCCVEGCSA-N 1 0 204.273 2.070 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1Oc1nc(Cl)cs1 ZINC000165387950 343072697 /nfs/dbraw/zinc/07/26/97/343072697.db2.gz KUMABVQHSIZMBU-BQBZGAKWSA-N 1 0 232.736 2.303 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1Oc1nc(Cl)cs1 ZINC000165387817 343072866 /nfs/dbraw/zinc/07/28/66/343072866.db2.gz KUMABVQHSIZMBU-NKWVEPMBSA-N 1 0 232.736 2.303 10 0 BEAERO CN1CCOC[C@H]1c1ccc(Cl)cc1 ZINC000144298078 362018404 /nfs/dbraw/zinc/01/84/04/362018404.db2.gz AXIBLWOMXBAITH-NSHDSACASA-N 1 0 211.692 2.343 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]CC2(F)F)cc1 ZINC000584880015 343080447 /nfs/dbraw/zinc/08/04/47/343080447.db2.gz XJNQBKHEAAYCMX-JTQLQIEISA-N 1 0 213.227 2.017 10 0 BEAERO CC(C)c1ccc2[nH+]cc(N)c(N)c2c1 ZINC000584882170 343084225 /nfs/dbraw/zinc/08/42/25/343084225.db2.gz REAXTBCBZULGRP-UHFFFAOYSA-N 1 0 201.273 2.353 10 0 BEAERO Nc1c[nH+]c2ccc(OCC3CC3)cc2c1N ZINC000584882190 343084239 /nfs/dbraw/zinc/08/42/39/343084239.db2.gz SOYIPAJTISYWJU-UHFFFAOYSA-N 1 0 229.283 2.018 10 0 BEAERO CNc1c(N)c[nH+]c2c(C)ccc(Cl)c12 ZINC000584882550 343085026 /nfs/dbraw/zinc/08/50/26/343085026.db2.gz KINCIKGCRRKWOX-UHFFFAOYSA-N 1 0 221.691 2.242 10 0 BEAERO CC[C@@H]1CC[C@@H](C[NH3+])N(C(=O)OC(C)(C)C)C1 ZINC000584883216 343085772 /nfs/dbraw/zinc/08/57/72/343085772.db2.gz KUIOAZRDHYMGNA-MNOVXSKESA-N 1 0 242.363 2.371 10 0 BEAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000308857960 346925747 /nfs/dbraw/zinc/92/57/47/346925747.db2.gz UMAINQMMVXLDHQ-UTUOFQBUSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1nn(C)cc1-c1ccc(C[NH3+])cc1C ZINC000085708019 488200065 /nfs/dbraw/zinc/20/00/65/488200065.db2.gz PGOJTRRHWLEOOY-UHFFFAOYSA-N 1 0 215.300 2.163 10 0 BEAERO C1=[NH+]C[C@H](Cc2ccc3ccccc3c2)N1 ZINC000013862085 343107575 /nfs/dbraw/zinc/10/75/75/343107575.db2.gz ZGMWARJWHBDXGJ-AWEZNQCLSA-N 1 0 210.280 2.382 10 0 BEAERO C[C@H](Sc1ccc(F)cc1F)C(N)=[NH2+] ZINC000043516540 343116448 /nfs/dbraw/zinc/11/64/48/343116448.db2.gz SCDSUOMZRYXABB-YFKPBYRVSA-N 1 0 216.256 2.381 10 0 BEAERO Cn1cc(CC(C)(C)[NH3+])c2ccccc21 ZINC000039293891 343124290 /nfs/dbraw/zinc/12/42/90/343124290.db2.gz ZQTZAQZLJXKHFD-UHFFFAOYSA-N 1 0 202.301 2.458 10 0 BEAERO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762769 136271845 /nfs/dbraw/zinc/27/18/45/136271845.db2.gz UIAYBNYBBXWZQE-GFCCVEGCSA-N 1 0 238.331 2.028 10 0 BEAERO COC[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000020262398 343140572 /nfs/dbraw/zinc/14/05/72/343140572.db2.gz WLMBKVSXSGKGKY-VIFPVBQESA-N 1 0 235.205 2.231 10 0 BEAERO COc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000038052345 343143425 /nfs/dbraw/zinc/14/34/25/343143425.db2.gz MJUZFCZYHJDPIF-ZETCQYMHSA-N 1 0 244.132 2.347 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCc3ccccc32)C1 ZINC000097092554 343155011 /nfs/dbraw/zinc/15/50/11/343155011.db2.gz VQMFXWSVZHBINV-CHWSQXEVSA-N 1 0 244.338 2.093 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CCCC2)C1 ZINC000237044874 136272157 /nfs/dbraw/zinc/27/21/57/136272157.db2.gz XQLNXKXBMFWDQT-NWDGAFQWSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000124890784 343165355 /nfs/dbraw/zinc/16/53/55/343165355.db2.gz BJLQSQNKHQMFHA-UPJWGTAASA-N 1 0 238.375 2.166 10 0 BEAERO O[C@]1(c2ccccc2)CC[N@@H+]2CCCC[C@@H]21 ZINC000123896613 343166706 /nfs/dbraw/zinc/16/67/06/343166706.db2.gz FNWWHWQXQXMXME-KGLIPLIRSA-N 1 0 217.312 2.132 10 0 BEAERO Nc1cc[nH+]c(NCCc2ccccc2)c1 ZINC000043568376 343172690 /nfs/dbraw/zinc/17/26/90/343172690.db2.gz FEWRBAJAYFBVKF-UHFFFAOYSA-N 1 0 213.284 2.318 10 0 BEAERO C[C@@H](Nc1cc(N)cc[nH+]1)c1ccncc1 ZINC000043568904 343174206 /nfs/dbraw/zinc/17/42/06/343174206.db2.gz GCQPNRFJKPFDSF-SECBINFHSA-N 1 0 214.272 2.232 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000082489722 136276661 /nfs/dbraw/zinc/27/66/61/136276661.db2.gz LRICEKDCUCXAPM-UPJWGTAASA-N 1 0 211.349 2.412 10 0 BEAERO Cc1ccc(C)c([C@](C)([NH2+]CC(C)C)C(N)=O)c1 ZINC000037951845 178503517 /nfs/dbraw/zinc/50/35/17/178503517.db2.gz BJNPAXFYEPHMCS-HNNXBMFYSA-N 1 0 248.370 2.250 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000167287693 136274014 /nfs/dbraw/zinc/27/40/14/136274014.db2.gz ZFAHJWKTXXWQGU-PRWFHZCQSA-N 1 0 237.265 2.220 10 0 BEAERO C[NH2+][C@@H]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000238328919 343255443 /nfs/dbraw/zinc/25/54/43/343255443.db2.gz WSVVXECRHMYUHE-MJBXVCDLSA-N 1 0 219.328 2.498 10 0 BEAERO COc1ccc([C@@H](C)[C@@H]2C=CC[NH2+]2)cc1 ZINC000238355212 343255491 /nfs/dbraw/zinc/25/54/91/343255491.db2.gz NPFQNACCVMWMTR-MFKMUULPSA-N 1 0 203.285 2.327 10 0 BEAERO Cc1nc([C@H](C)[NH3+])ccc1Br ZINC000238423973 343257210 /nfs/dbraw/zinc/25/72/10/343257210.db2.gz BWYCVPBXBCQDBS-YFKPBYRVSA-N 1 0 215.094 2.172 10 0 BEAERO CCC(C)(C)CCn1cc(C(C)(C)[NH3+])nn1 ZINC000641050026 362157894 /nfs/dbraw/zinc/15/78/94/362157894.db2.gz UGKJGEGXPHSBOH-UHFFFAOYSA-N 1 0 224.352 2.298 10 0 BEAERO CCN(C(=O)[C@H](C)C1C[NH2+]C1)c1cccc(C)c1 ZINC000164322710 136292222 /nfs/dbraw/zinc/29/22/22/136292222.db2.gz VLKRWALXRQORGW-GFCCVEGCSA-N 1 0 246.354 2.203 10 0 BEAERO CCc1cc(C2=CCC[N@H+](C)C2)nn1CC ZINC000036449085 343318981 /nfs/dbraw/zinc/31/89/81/343318981.db2.gz CJBNJBLWWPKRBK-UHFFFAOYSA-N 1 0 219.332 2.184 10 0 BEAERO CCOc1cc(C[C@H]([NH3+])CC)ccc1O ZINC000036778910 343324370 /nfs/dbraw/zinc/32/43/70/343324370.db2.gz AQCBTOLQODMENC-SNVBAGLBSA-N 1 0 209.289 2.071 10 0 BEAERO Fc1ccc(Cc2noc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000036925429 343328057 /nfs/dbraw/zinc/32/80/57/343328057.db2.gz IYILMVBHWCQFTO-NSHDSACASA-N 1 0 247.273 2.224 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(F)c(Cl)c1 ZINC000035792876 343304466 /nfs/dbraw/zinc/30/44/66/343304466.db2.gz COPKRBMZZPNQJM-RQJHMYQMSA-N 1 0 244.697 2.004 10 0 BEAERO [NH3+][C@H](Cc1ccc(F)cc1)c1cccnc1 ZINC000037992496 343364539 /nfs/dbraw/zinc/36/45/39/343364539.db2.gz IDTDKMHWYJEYBV-CYBMUJFWSA-N 1 0 216.259 2.463 10 0 BEAERO C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037258062 343341754 /nfs/dbraw/zinc/34/17/54/343341754.db2.gz LBYVAQFEYWZSCA-ZANVPECISA-N 1 0 223.291 2.247 10 0 BEAERO Fc1ccc2cccc(N3CC[NH2+]CC3)c2c1 ZINC000139407007 343347718 /nfs/dbraw/zinc/34/77/18/343347718.db2.gz OXILFZGUHAMDTB-UHFFFAOYSA-N 1 0 230.286 2.389 10 0 BEAERO COc1cc(C)cc(OC)c1[C@@H]1CCC[NH2+]1 ZINC000309393317 343355220 /nfs/dbraw/zinc/35/52/20/343355220.db2.gz PHPUDDGQMKAPNX-JTQLQIEISA-N 1 0 221.300 2.437 10 0 BEAERO CCc1c2ccccc2nc2c1CC[NH2+]CC2 ZINC000039102620 343384350 /nfs/dbraw/zinc/38/43/50/343384350.db2.gz RLIADRWFYUVWKA-UHFFFAOYSA-N 1 0 226.323 2.485 10 0 BEAERO c1ncn(CC2(C3CCCCC3)CC[NH2+]CC2)n1 ZINC000039366095 343389242 /nfs/dbraw/zinc/38/92/42/343389242.db2.gz BDAJCEHKRPQTJD-UHFFFAOYSA-N 1 0 248.374 2.228 10 0 BEAERO CCc1cc(CC)nc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000310305095 343423288 /nfs/dbraw/zinc/42/32/88/343423288.db2.gz OSRBYVNMOSGENB-VHSXEESVSA-N 1 0 236.363 2.139 10 0 BEAERO CC[C@@H]([NH2+]Cc1ccc(CO)o1)C(C)C ZINC000081555664 343417791 /nfs/dbraw/zinc/41/77/91/343417791.db2.gz MAALHYCMWIPXTO-GFCCVEGCSA-N 1 0 211.305 2.296 10 0 BEAERO CCC1(C(=O)Nc2cccc(O)c2)CC[NH2+]CC1 ZINC000062849615 168441426 /nfs/dbraw/zinc/44/14/26/168441426.db2.gz KXWBLAPQTMTSJG-UHFFFAOYSA-N 1 0 248.326 2.111 10 0 BEAERO C[C@@H]1CC2(CCC2)C[N@@H+]1CC1(O)CCC1 ZINC000335886071 136358317 /nfs/dbraw/zinc/35/83/17/136358317.db2.gz XVBHOXHEDJNLDI-LLVKDONJSA-N 1 0 209.333 2.166 10 0 BEAERO Nc1ccc(SC[C@@H]2CCC[NH2+]2)cc1 ZINC000043497551 343475738 /nfs/dbraw/zinc/47/57/38/343475738.db2.gz ZHACXYBNFSRCOG-JTQLQIEISA-N 1 0 208.330 2.113 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000308959535 346943116 /nfs/dbraw/zinc/94/31/16/346943116.db2.gz YOMUKYRRGVJAPZ-GZMMTYOYSA-N 1 0 246.137 2.464 10 0 BEAERO Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000044170810 343493616 /nfs/dbraw/zinc/49/36/16/343493616.db2.gz SVCKGRABAHUSJW-LSDHHAIUSA-N 1 0 249.354 2.139 10 0 BEAERO CCC[NH2+]CCNc1nc(C(C)C)ns1 ZINC000083670387 343495011 /nfs/dbraw/zinc/49/50/11/343495011.db2.gz ZZFSFHNNECCVHF-UHFFFAOYSA-N 1 0 228.365 2.073 10 0 BEAERO CC(C)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000082725347 343461216 /nfs/dbraw/zinc/46/12/16/343461216.db2.gz VBFKZBKDFGZFOU-QWHCGFSZSA-N 1 0 210.365 2.201 10 0 BEAERO Clc1ncc(COC[C@@H]2CCC[NH2+]C2)s1 ZINC000043220439 343466480 /nfs/dbraw/zinc/46/64/80/343466480.db2.gz XLWWZKSFBINXCC-MRVPVSSYSA-N 1 0 246.763 2.313 10 0 BEAERO CC1(C)[C@@H]([NH2+]Cc2ccco2)[C@@H]2CCO[C@@H]21 ZINC000082943711 343472273 /nfs/dbraw/zinc/47/22/73/343472273.db2.gz QVUXFFHZCCYHGX-SRVKXCTJSA-N 1 0 221.300 2.183 10 0 BEAERO CC[N@@H+]1CCCCC[C@@H]1c1ccnnc1 ZINC000616605429 343520083 /nfs/dbraw/zinc/52/00/83/343520083.db2.gz KSGOCNNTZHAGLP-GFCCVEGCSA-N 1 0 205.305 2.414 10 0 BEAERO [NH3+]CCN1C[C@H](C(F)(F)F)Cc2ccccc21 ZINC000616670985 343534964 /nfs/dbraw/zinc/53/49/64/343534964.db2.gz CQLVCYTXCHPIDO-SNVBAGLBSA-N 1 0 244.260 2.186 10 0 BEAERO CC[C@H](CSC)[NH2+]C[C@H](O)C(C)(C)C ZINC000379528150 343571834 /nfs/dbraw/zinc/57/18/34/343571834.db2.gz TYOGNHAEDKCLKC-ZJUUUORDSA-N 1 0 219.394 2.125 10 0 BEAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000624235271 343574981 /nfs/dbraw/zinc/57/49/81/343574981.db2.gz HORSSBZVUKABGA-QEJZJMRPSA-N 1 0 249.354 2.104 10 0 BEAERO C[C@]1([C@@H]2CCCO2)[NH2+]CCc2ccsc21 ZINC000712512436 537787061 /nfs/dbraw/zinc/78/70/61/537787061.db2.gz KKZAWNUUKFWGOY-CMPLNLGQSA-N 1 0 223.341 2.288 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)c(C)c1 ZINC000624235949 343579570 /nfs/dbraw/zinc/57/95/70/343579570.db2.gz SSQVYRUWLWVJIV-QEJZJMRPSA-N 1 0 249.354 2.104 10 0 BEAERO c1cc2c(s1)[C@H]([C@H]1CCCOC1)[NH2+]CC2 ZINC000712537088 537790414 /nfs/dbraw/zinc/79/04/14/537790414.db2.gz ZINPTABOPKMUMO-QWRGUYRKSA-N 1 0 223.341 2.362 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(C)C ZINC000086194155 343614674 /nfs/dbraw/zinc/61/46/74/343614674.db2.gz PLTNRVHSFUUKNN-CHWSQXEVSA-N 1 0 210.365 2.201 10 0 BEAERO C[C@H]1CC[C@@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712542741 537791641 /nfs/dbraw/zinc/79/16/41/537791641.db2.gz NSJCWWHECAXZTC-CABZTGNLSA-N 1 0 223.341 2.288 10 0 BEAERO C[C@H]1C[C@@]2(CCN1C)[NH2+]CCc1ccsc12 ZINC000712553351 537791683 /nfs/dbraw/zinc/79/16/83/537791683.db2.gz RCSQXFGBYHOGMZ-GXFFZTMASA-N 1 0 236.384 2.203 10 0 BEAERO c1cc2c(s1)[C@@]1(CCCOCC1)[NH2+]CC2 ZINC000712553223 537793038 /nfs/dbraw/zinc/79/30/38/537793038.db2.gz JHBLEQAWTUOCSD-LBPRGKRZSA-N 1 0 223.341 2.290 10 0 BEAERO C[C@H]1CC[C@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712542742 537793320 /nfs/dbraw/zinc/79/33/20/537793320.db2.gz NSJCWWHECAXZTC-JOYOIKCWSA-N 1 0 223.341 2.288 10 0 BEAERO CC[C@@H]1C[C@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712522523 537789691 /nfs/dbraw/zinc/78/96/91/537789691.db2.gz KBFUDUANZCTCLQ-ZYHUDNBSSA-N 1 0 223.341 2.288 10 0 BEAERO c1cc2c(s1)[C@H](c1cncs1)[NH2+]CC2 ZINC000712526258 537789804 /nfs/dbraw/zinc/78/98/04/537789804.db2.gz IZIHSYQXRAYMQM-VIFPVBQESA-N 1 0 222.338 2.440 10 0 BEAERO Cc1ncc([C@@H]2[NH2+]CCc3ccsc32)n1C ZINC000712523679 537790095 /nfs/dbraw/zinc/79/00/95/537790095.db2.gz PMJNMOWSTFJBBW-NSHDSACASA-N 1 0 233.340 2.025 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000379988847 365786753 /nfs/dbraw/zinc/78/67/53/365786753.db2.gz SBXCCSHUERBFEU-GHMZBOCLSA-N 1 0 232.327 2.135 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ccc(Cl)cn1 ZINC000087362294 343645545 /nfs/dbraw/zinc/64/55/45/343645545.db2.gz NBPQOJFCWNKDRT-MRVPVSSYSA-N 1 0 213.712 2.274 10 0 BEAERO Cc1ccc(C[NH3+])cc1NC(=O)[C@H]1C[C@@H]1C ZINC000050430679 178562172 /nfs/dbraw/zinc/56/21/72/178562172.db2.gz FSCCYYIWZMJLKU-ONGXEEELSA-N 1 0 218.300 2.048 10 0 BEAERO CSC1(C[NH2+][C@H]2CCC[C@H](O)C2)CCC1 ZINC000379956293 343659673 /nfs/dbraw/zinc/65/96/73/343659673.db2.gz GDZPNDLEPSRMDT-QWRGUYRKSA-N 1 0 229.389 2.165 10 0 BEAERO [NH3+]CCc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC000205951748 343663373 /nfs/dbraw/zinc/66/33/73/343663373.db2.gz GYCXIMCELWRGQU-UHFFFAOYSA-N 1 0 229.205 2.369 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1cccc(F)c1 ZINC000054685986 343690573 /nfs/dbraw/zinc/69/05/73/343690573.db2.gz RQJBXOAQMIQBTG-CABCVRRESA-N 1 0 245.297 2.429 10 0 BEAERO C[C@@H](C[NH3+])[C@@H](O)c1cccc(F)c1Cl ZINC000165552133 343717597 /nfs/dbraw/zinc/71/75/97/343717597.db2.gz GLWMXOKTESOBGA-QUBYGPBYSA-N 1 0 217.671 2.107 10 0 BEAERO C(c1nc(C2CCCC2)no1)[C@H]1CCCC[NH2+]1 ZINC000096876745 343785291 /nfs/dbraw/zinc/78/52/91/343785291.db2.gz HMFHWOPXWAKPKJ-LLVKDONJSA-N 1 0 235.331 2.412 10 0 BEAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(-c2ccco2)no1 ZINC000109508521 343786085 /nfs/dbraw/zinc/78/60/85/343786085.db2.gz LVTBYLIFINBTGD-IUCAKERBSA-N 1 0 233.271 2.185 10 0 BEAERO C[C@@H]1CCCN(c2cc(N)[nH+]c(C3CC3)n2)C1 ZINC000126864132 343786874 /nfs/dbraw/zinc/78/68/74/343786874.db2.gz WEVQFEPIPKRNNV-SECBINFHSA-N 1 0 232.331 2.173 10 0 BEAERO CNc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(C)[nH+]1 ZINC000127844146 343787418 /nfs/dbraw/zinc/78/74/18/343787418.db2.gz QYBNMRYAZRJWRY-NXEZZACHSA-N 1 0 234.347 2.309 10 0 BEAERO [NH3+]CC(CC(F)(F)F)CC(F)(F)F ZINC000149000135 343788933 /nfs/dbraw/zinc/78/89/33/343788933.db2.gz HRAYRHHTEWWHIZ-UHFFFAOYSA-N 1 0 209.133 2.466 10 0 BEAERO Cc1cccc(-c2nc([C@H]3CC[NH2+]C3)no2)c1 ZINC000216412946 343792452 /nfs/dbraw/zinc/79/24/52/343792452.db2.gz WSBHYUGMIJDIDH-NSHDSACASA-N 1 0 229.283 2.122 10 0 BEAERO C[NH2+]Cc1csc(C2CCOCC2)c1 ZINC000409426737 343798886 /nfs/dbraw/zinc/79/88/86/343798886.db2.gz RWPFOAUSINUHGR-UHFFFAOYSA-N 1 0 211.330 2.362 10 0 BEAERO C[NH2+]C[C@H]1[C@@H](c2cccs2)C1(F)F ZINC000409432275 343825675 /nfs/dbraw/zinc/82/56/75/343825675.db2.gz NECQZNUGMPPRGH-XPUUQOCRSA-N 1 0 203.257 2.316 10 0 BEAERO C[NH2+]Cc1c(-c2ccncc2)n[nH]c1C(C)C ZINC000409439909 343853576 /nfs/dbraw/zinc/85/35/76/343853576.db2.gz KSVGPNNKUFSPOJ-UHFFFAOYSA-N 1 0 230.315 2.315 10 0 BEAERO [NH3+]Cc1c(-c2cccs2)n[nH]c1C1CC1 ZINC000409441031 343855051 /nfs/dbraw/zinc/85/50/51/343855051.db2.gz PIMHNUCFVYEWAT-UHFFFAOYSA-N 1 0 219.313 2.474 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)SC2 ZINC000159055524 346995217 /nfs/dbraw/zinc/99/52/17/346995217.db2.gz NTISIMRZMWCDFF-RDDDGLTNSA-N 1 0 209.314 2.330 10 0 BEAERO c1ccc(CN2CC[NH2+]C3(CCC3)C2)cc1 ZINC000409433541 343829002 /nfs/dbraw/zinc/82/90/02/343829002.db2.gz SERGQNLMTAEJAJ-UHFFFAOYSA-N 1 0 216.328 2.015 10 0 BEAERO C[C@@H]1SCCS[C@H]1[C@H]([NH3+])CC1CC1 ZINC000159048912 346990507 /nfs/dbraw/zinc/99/05/07/346990507.db2.gz RPILGRKSAZJJRU-FXBDTBDDSA-N 1 0 217.403 2.351 10 0 BEAERO Nc1cc(-c2cccs2)nn1[C@H]1CCC[NH2+]C1 ZINC000409438577 343844805 /nfs/dbraw/zinc/84/48/05/343844805.db2.gz LWXFVXYHCRMJEI-VIFPVBQESA-N 1 0 248.355 2.118 10 0 BEAERO CC(C)c1[nH]nc(C2CC2)c1CCC(N)=[NH2+] ZINC000409438761 343845517 /nfs/dbraw/zinc/84/55/17/343845517.db2.gz FRVUFVXFZNPNCJ-UHFFFAOYSA-N 1 0 220.320 2.279 10 0 BEAERO C[N@@H+]1C[C@@H](CO)C[C@@H]1c1ccccc1Cl ZINC000409438924 343845949 /nfs/dbraw/zinc/84/59/49/343845949.db2.gz FACRMOQYPDSYGX-JOYOIKCWSA-N 1 0 225.719 2.325 10 0 BEAERO C[NH2+]Cc1c(-c2ccccn2)n[nH]c1C(C)C ZINC000409439118 343846393 /nfs/dbraw/zinc/84/63/93/343846393.db2.gz HBBXFSVTNLNPQQ-UHFFFAOYSA-N 1 0 230.315 2.315 10 0 BEAERO c1c(C2CC2)nn(C[C@H]2CCC[NH2+]2)c1C1CC1 ZINC000409439207 343847080 /nfs/dbraw/zinc/84/70/80/343847080.db2.gz HNTBSKUVHMOYJK-GFCCVEGCSA-N 1 0 231.343 2.390 10 0 BEAERO C[NH2+]Cc1cn(CCF)nc1-c1ccccc1 ZINC000409439588 343847847 /nfs/dbraw/zinc/84/78/47/343847847.db2.gz PVMCSMOYQNCOMZ-UHFFFAOYSA-N 1 0 233.290 2.239 10 0 BEAERO C[C@](Cc1ccccc1)(C(=[NH2+])NO)n1cccc1 ZINC000409439746 343848448 /nfs/dbraw/zinc/84/84/48/343848448.db2.gz IEAAYRBIUTXEQE-AWEZNQCLSA-N 1 0 243.310 2.402 10 0 BEAERO COC1CC([C@@H]2[NH2+]CCc3ccsc32)C1 ZINC000714508292 537822957 /nfs/dbraw/zinc/82/29/57/537822957.db2.gz RVCQDQBVHRJLRT-ILDUYXDCSA-N 1 0 223.341 2.360 10 0 BEAERO [NH3+]Cc1c(-c2cccnc2)n[nH]c1C1CCC1 ZINC000409440178 343851193 /nfs/dbraw/zinc/85/11/93/343851193.db2.gz LKDQZHRQRFIQBI-UHFFFAOYSA-N 1 0 228.299 2.198 10 0 BEAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1nccn1C ZINC000069473516 537823078 /nfs/dbraw/zinc/82/30/78/537823078.db2.gz KIBJDPKTDDWUAY-LBPRGKRZSA-N 1 0 233.290 2.062 10 0 BEAERO CC1(C)CC(Cn2cc(CCC[NH3+])cn2)C1 ZINC000575623458 343876405 /nfs/dbraw/zinc/87/64/05/343876405.db2.gz SJQAPVXROKEIGZ-UHFFFAOYSA-N 1 0 221.348 2.211 10 0 BEAERO CC(C)[C@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)C1 ZINC000159062886 346999952 /nfs/dbraw/zinc/99/99/52/346999952.db2.gz WDAIUTDFZLACOE-NWDGAFQWSA-N 1 0 209.333 2.476 10 0 BEAERO [NH3+]Cc1cc(-c2cccs2)nn1CCF ZINC000409443727 343863002 /nfs/dbraw/zinc/86/30/02/343863002.db2.gz SLTSKZXEDAUBJQ-UHFFFAOYSA-N 1 0 225.292 2.040 10 0 BEAERO Cc1cc(C(F)(F)F)nn1[C@@H]1CCC[NH2+]C1 ZINC000409443177 343865986 /nfs/dbraw/zinc/86/59/86/343865986.db2.gz IGMWWUBEJPAVGQ-MRVPVSSYSA-N 1 0 233.237 2.135 10 0 BEAERO [NH3+][C@@]1(c2ccc(Cl)cc2)CCCOC1 ZINC000070011884 343946195 /nfs/dbraw/zinc/94/61/95/343946195.db2.gz CCCDCRMCQIRXNJ-NSHDSACASA-N 1 0 211.692 2.304 10 0 BEAERO [NH3+]Cc1cnc(Sc2cccs2)cn1 ZINC000070581622 343952880 /nfs/dbraw/zinc/95/28/80/343952880.db2.gz FTTKWXIPRLYFGP-UHFFFAOYSA-N 1 0 223.326 2.148 10 0 BEAERO C[NH2+][C@@H]1CC[C@H](Sc2nc(C)co2)C1 ZINC000234433709 343967006 /nfs/dbraw/zinc/96/70/06/343967006.db2.gz GYRZCKRSPYDFDY-BDAKNGLRSA-N 1 0 212.318 2.216 10 0 BEAERO C[NH2+][C@H](C)C(=O)c1c(C)cc(C)cc1F ZINC000234435801 343967236 /nfs/dbraw/zinc/96/72/36/343967236.db2.gz GXWZPEDFFMEIIT-SECBINFHSA-N 1 0 209.264 2.233 10 0 BEAERO Cc1cc(Cl)cc([C@@H]2COCC[NH2+]2)c1 ZINC000215597549 349900873 /nfs/dbraw/zinc/90/08/73/349900873.db2.gz VDSKRLHDDJSPMY-NSHDSACASA-N 1 0 211.692 2.309 10 0 BEAERO COc1cc(OC)c2c(c1)[C@@H]1CCC[NH2+][C@@H]1CC2 ZINC000214906288 344110473 /nfs/dbraw/zinc/11/04/73/344110473.db2.gz YAJBETWORMKDBP-SMDDNHRTSA-N 1 0 247.338 2.486 10 0 BEAERO CC1(C)C[N@H+](C2CCC2)[C@H]1[C@@H]1CCCO1 ZINC000335917417 344086770 /nfs/dbraw/zinc/08/67/70/344086770.db2.gz NWZKXCZDGQIQOO-RYUDHWBXSA-N 1 0 209.333 2.428 10 0 BEAERO CC1(C)[C@@H](c2ccccc2)N(O)C=C[N+]1=O ZINC000585087150 344122318 /nfs/dbraw/zinc/12/23/18/344122318.db2.gz QNNKJULMSUTUNO-LLVKDONJSA-N 1 0 219.264 2.461 10 0 BEAERO Cc1ccccc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735357 344122594 /nfs/dbraw/zinc/12/25/94/344122594.db2.gz DMKAYMOZVANVLN-WFASDCNBSA-N 1 0 244.338 2.323 10 0 BEAERO O=C(Nc1ccccc1F)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736028 344125161 /nfs/dbraw/zinc/12/51/61/344125161.db2.gz XRBBNWJDVQSDID-HZMBPMFUSA-N 1 0 248.301 2.154 10 0 BEAERO CSC[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000131539588 344233082 /nfs/dbraw/zinc/23/30/82/344233082.db2.gz UVXCWKYYIUYOLL-BDAKNGLRSA-N 1 0 205.392 2.223 10 0 BEAERO [NH3+]C[C@H](CC1CC1)c1cnc(C(F)(F)F)nc1 ZINC000217367412 344191864 /nfs/dbraw/zinc/19/18/64/344191864.db2.gz XNAHBZICUIMJNE-QMMMGPOBSA-N 1 0 245.248 2.338 10 0 BEAERO COc1cc(C[C@H](C)[NH3+])c(OC)c2c1CCC2 ZINC000027214701 344238308 /nfs/dbraw/zinc/23/83/08/344238308.db2.gz GLFZOKOHBIKEKN-VIFPVBQESA-N 1 0 235.327 2.082 10 0 BEAERO Clc1ccc2c(c1)nccc2NC1C[NH2+]C1 ZINC000085256845 344203630 /nfs/dbraw/zinc/20/36/30/344203630.db2.gz RMPGFBYYWLNASI-UHFFFAOYSA-N 1 0 233.702 2.272 10 0 BEAERO Cc1nc(C[C@H](F)[C@@H]2CCC[NH2+]2)cs1 ZINC000235941413 344273355 /nfs/dbraw/zinc/27/33/55/344273355.db2.gz NWUCMVURZJNOQZ-UWVGGRQHSA-N 1 0 214.309 2.084 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]C1CCN(CC)CC1 ZINC000132289704 344297484 /nfs/dbraw/zinc/29/74/84/344297484.db2.gz CFRBCQNEUVAZNW-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO CO[C@@H](C)[C@H](C)[NH2+]CCc1ccsc1 ZINC000132299608 344297890 /nfs/dbraw/zinc/29/78/90/344297890.db2.gz WQICCCWYHMOFCB-UWVGGRQHSA-N 1 0 213.346 2.304 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H](CCO)C(C)C ZINC000133293400 344316671 /nfs/dbraw/zinc/31/66/71/344316671.db2.gz LQWQCQQNZBJGGV-NWDGAFQWSA-N 1 0 201.354 2.419 10 0 BEAERO [NH3+]C[C@H](F)Cc1c(F)cccc1Cl ZINC000158054126 344330295 /nfs/dbraw/zinc/33/02/95/344330295.db2.gz FQQPMQVIBYMBOP-ZCFIWIBFSA-N 1 0 205.635 2.318 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1c1cc(C(F)(F)F)ccn1 ZINC000385177708 344360496 /nfs/dbraw/zinc/36/04/96/344360496.db2.gz WBPVTJKFSIMZIU-VXNVDRBHSA-N 1 0 245.248 2.026 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1 ZINC000092677465 344301110 /nfs/dbraw/zinc/30/11/10/344301110.db2.gz SEOLVZXLRDKDDD-AWEZNQCLSA-N 1 0 246.354 2.243 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccnc(C(F)(F)F)c1 ZINC000385226702 344378415 /nfs/dbraw/zinc/37/84/15/344378415.db2.gz IFCCDOALMDIODK-HTQZYQBOSA-N 1 0 245.248 2.026 10 0 BEAERO CC(C)C(=O)Nc1cncc(C2CC[NH2+]CC2)c1 ZINC000139731872 344436457 /nfs/dbraw/zinc/43/64/57/344436457.db2.gz PMMSHUVXLBQUDS-UHFFFAOYSA-N 1 0 247.342 2.143 10 0 BEAERO COc1ccc2c3c1CC[NH2+][C@@H]3CCC2 ZINC000238356789 344417689 /nfs/dbraw/zinc/41/76/89/344417689.db2.gz FXRMIZNTLNLRRI-LLVKDONJSA-N 1 0 203.285 2.218 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2cccnc2)CC1 ZINC000616594583 344418107 /nfs/dbraw/zinc/41/81/07/344418107.db2.gz RHMUJFYYNQNJFS-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2)[C@@H](C2CC2)C[NH2+]1 ZINC000223645696 344475250 /nfs/dbraw/zinc/47/52/50/344475250.db2.gz GGDXWYFAUSNXHO-IUODEOHRSA-N 1 0 230.355 2.259 10 0 BEAERO CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)C(C)(C)C ZINC000310008717 344495464 /nfs/dbraw/zinc/49/54/64/344495464.db2.gz HUMSKOIJFMJWTP-DGCLKSJQSA-N 1 0 229.364 2.206 10 0 BEAERO Cc1csc(CC2(F)CC[NH2+]CC2)n1 ZINC000158104119 344545184 /nfs/dbraw/zinc/54/51/84/344545184.db2.gz BCBNEJDELOHSCH-UHFFFAOYSA-N 1 0 214.309 2.086 10 0 BEAERO C[C@@H]1C[C@](O)(c2ccc(Cl)s2)C[N@@H+]1C ZINC000127473816 344545268 /nfs/dbraw/zinc/54/52/68/344545268.db2.gz DBCWRBNEPSGTCV-GMSGAONNSA-N 1 0 231.748 2.313 10 0 BEAERO CCCC[C@H](CC)C(=O)N1CCC([NH2+]C)CC1 ZINC000037536477 344549825 /nfs/dbraw/zinc/54/98/25/344549825.db2.gz VTTFPVTXVIXXSC-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO Cn1c(N)[nH+]cc1-c1ccc(Cl)s1 ZINC000220819572 344595002 /nfs/dbraw/zinc/59/50/02/344595002.db2.gz WPHGIIZFTUNUSP-UHFFFAOYSA-N 1 0 213.693 2.384 10 0 BEAERO Cc1csc(C[C@]2(F)CC[C@H]([NH3+])C2)n1 ZINC000158289404 344580512 /nfs/dbraw/zinc/58/05/12/344580512.db2.gz FOPJIOGOBXCWJJ-WPRPVWTQSA-N 1 0 214.309 2.214 10 0 BEAERO CCC[S@](=O)[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000249794893 362415035 /nfs/dbraw/zinc/41/50/35/362415035.db2.gz FBZYXOKWZHNJBZ-BFVZDQMLSA-N 1 0 217.378 2.051 10 0 BEAERO CN(C)c1ccc(C[NH3+])cc1OC(F)(F)F ZINC000396119203 344607895 /nfs/dbraw/zinc/60/78/95/344607895.db2.gz JYUAXUKLKCATNW-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO Cc1ccc(N(C)C[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000104319939 178698045 /nfs/dbraw/zinc/69/80/45/178698045.db2.gz GGXXTVNRNSNBQB-HNNXBMFYSA-N 1 0 248.370 2.187 10 0 BEAERO c1ccc(N2CCC2)c(C2CC[NH2+]CC2)c1 ZINC000220963117 344650554 /nfs/dbraw/zinc/65/05/54/344650554.db2.gz NBNXWUYWYWPALY-UHFFFAOYSA-N 1 0 216.328 2.364 10 0 BEAERO Cc1occc1CN(C)[C@H]1CCCC1=O ZINC000050154196 344650693 /nfs/dbraw/zinc/65/06/93/344650693.db2.gz MPBUSZFPTJNOLS-NSHDSACASA-N 1 0 207.273 2.141 10 0 BEAERO Cc1ccc(N(C)[C@@H](C)C[NH3+])cc1Cl ZINC000020260803 178700068 /nfs/dbraw/zinc/70/00/68/178700068.db2.gz QNAYOQHOZPMOSS-VIFPVBQESA-N 1 0 212.724 2.432 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000348160103 344642043 /nfs/dbraw/zinc/64/20/43/344642043.db2.gz KTHWJQPBACSHQC-MJBXVCDLSA-N 1 0 243.391 2.332 10 0 BEAERO CC(C)C[C@H](C)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400408735 537854693 /nfs/dbraw/zinc/85/46/93/537854693.db2.gz ROMPDCYJOYENHL-ONGXEEELSA-N 1 0 207.321 2.279 10 0 BEAERO CC(=O)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050273113 344746655 /nfs/dbraw/zinc/74/66/55/344746655.db2.gz XDVKIDSYILFDGE-AWEZNQCLSA-N 1 0 217.312 2.455 10 0 BEAERO C[C@@H]1CCCC[C@H]1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400378084 537855127 /nfs/dbraw/zinc/85/51/27/537855127.db2.gz DLCVRMBCDXDIPS-FOGDFJRCSA-N 1 0 219.332 2.423 10 0 BEAERO CC[C@@]1([C@H]2CC2(C)C)[NH2+]CCc2nc[nH]c21 ZINC000400399307 537855162 /nfs/dbraw/zinc/85/51/62/537855162.db2.gz SEAWKWRPRJIUPS-GWCFXTLKSA-N 1 0 219.332 2.207 10 0 BEAERO C[C@H](C(N)=S)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000221213305 344703910 /nfs/dbraw/zinc/70/39/10/344703910.db2.gz SNEBMEIBHVUGFG-OPRDCNLKSA-N 1 0 214.378 2.172 10 0 BEAERO CC[C@H]1CC=C([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052729 537859057 /nfs/dbraw/zinc/85/90/57/537859057.db2.gz IGRHHORDNMIIEX-WPRPVWTQSA-N 1 0 237.265 2.375 10 0 BEAERO Cc1ccc(NC(=O)[C@H](C)CC[NH3+])c(C)c1 ZINC000076610100 178746737 /nfs/dbraw/zinc/74/67/37/178746737.db2.gz NBXUSAJIKCLTSV-SNVBAGLBSA-N 1 0 220.316 2.227 10 0 BEAERO CS[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000224251921 344880433 /nfs/dbraw/zinc/88/04/33/344880433.db2.gz XYRUZXNBUUGVLT-OUAUKWLOSA-N 1 0 215.362 2.039 10 0 BEAERO C[C@@H]1C[N@H+](C)CCCN1c1nc(Cl)cs1 ZINC000235434503 344910721 /nfs/dbraw/zinc/91/07/21/344910721.db2.gz OWZRPCLGLGFLIX-MRVPVSSYSA-N 1 0 245.779 2.327 10 0 BEAERO C[C@@H]1SCC[C@@]12[NH2+]C[C@@H](C)CS2 ZINC000235364235 344894602 /nfs/dbraw/zinc/89/46/02/344894602.db2.gz FSLFRPLVDASOLK-VGMNWLOBSA-N 1 0 203.376 2.181 10 0 BEAERO O[C@H](C[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000166491908 344908481 /nfs/dbraw/zinc/90/84/81/344908481.db2.gz TZFTTZHWPUMXBT-VHSXEESVSA-N 1 0 211.330 2.314 10 0 BEAERO C[C@H](NC(=[NH2+])NC1CC1)c1ccsc1 ZINC000061368291 344922731 /nfs/dbraw/zinc/92/27/31/344922731.db2.gz NGCBLIWGIKWYPT-ZETCQYMHSA-N 1 0 209.318 2.085 10 0 BEAERO C[C@H](CO)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000235459490 344917495 /nfs/dbraw/zinc/91/74/95/344917495.db2.gz HOKFCBKJIMACPH-GMSGAONNSA-N 1 0 244.132 2.077 10 0 BEAERO Cc1ncccc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000311071274 344918386 /nfs/dbraw/zinc/91/83/86/344918386.db2.gz LTORAKFNEXLAJZ-CQSZACIVSA-N 1 0 245.370 2.106 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000061589450 344978893 /nfs/dbraw/zinc/97/88/93/344978893.db2.gz YMMXGFKNTQBGOO-OUAUKWLOSA-N 1 0 215.362 2.039 10 0 BEAERO [NH3+][C@@H](CCO)c1c(F)cccc1C(F)(F)F ZINC000044233027 344988132 /nfs/dbraw/zinc/98/81/32/344988132.db2.gz AORJHECBDUIXKH-QMMMGPOBSA-N 1 0 237.196 2.227 10 0 BEAERO COc1ccc2ccccc2c1[C@@H]([NH3+])CCO ZINC000044232334 344988203 /nfs/dbraw/zinc/98/82/03/344988203.db2.gz VKBFAOOZWPSWPT-LBPRGKRZSA-N 1 0 231.295 2.231 10 0 BEAERO [NH3+][C@H](CCO)c1cc(F)cc(C(F)(F)F)c1 ZINC000044233042 344988483 /nfs/dbraw/zinc/98/84/83/344988483.db2.gz QVVMRNSPQCHMDO-SECBINFHSA-N 1 0 237.196 2.227 10 0 BEAERO [NH3+][C@@H](CCO)c1ccc(C(F)(F)F)cc1F ZINC000044233033 344988612 /nfs/dbraw/zinc/98/86/12/344988612.db2.gz NLNYAEPREUTQSF-VIFPVBQESA-N 1 0 237.196 2.227 10 0 BEAERO [NH3+][C@H](CCO)c1cc(Cl)ccc1Cl ZINC000044233272 344989005 /nfs/dbraw/zinc/98/90/05/344989005.db2.gz WCGWYAUSIHNSOJ-SECBINFHSA-N 1 0 220.099 2.376 10 0 BEAERO Cc1ccc(F)c([C@@H]([NH3+])CCO)c1Cl ZINC000044233454 344989019 /nfs/dbraw/zinc/98/90/19/344989019.db2.gz IJZGAGRGKAALGD-QMMMGPOBSA-N 1 0 217.671 2.170 10 0 BEAERO C[C@@H](c1ccco1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000247964684 344992634 /nfs/dbraw/zinc/99/26/34/344992634.db2.gz GVTKPXADRRXCPK-RYUDHWBXSA-N 1 0 222.332 2.272 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C=C1CCC1 ZINC000153978213 345004422 /nfs/dbraw/zinc/00/44/22/345004422.db2.gz YPZBAZTVLKPCSU-ZIAGYGMSSA-N 1 0 248.370 2.182 10 0 BEAERO Cc1ccc([C@H]([NH3+])Cn2cccn2)cc1C ZINC000011849791 345032495 /nfs/dbraw/zinc/03/24/95/345032495.db2.gz NYSQGZUATLEELX-CYBMUJFWSA-N 1 0 215.300 2.200 10 0 BEAERO Cc1cc(C)c2c(c1)c(C)cc(=O)n2C[C@@H](C)[NH3+] ZINC000011849648 345032856 /nfs/dbraw/zinc/03/28/56/345032856.db2.gz ODOUOFLRVRJBHY-GFCCVEGCSA-N 1 0 244.338 2.274 10 0 BEAERO Cc1cc(C)nc(Oc2cccc(CC[NH3+])c2)n1 ZINC000011849370 345032904 /nfs/dbraw/zinc/03/29/04/345032904.db2.gz GLYMQSJSSZYCKK-UHFFFAOYSA-N 1 0 243.310 2.387 10 0 BEAERO C[C@H](c1nccs1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000248081532 345032958 /nfs/dbraw/zinc/03/29/58/345032958.db2.gz PRAXBTLRTGCXAK-MNOVXSKESA-N 1 0 239.388 2.136 10 0 BEAERO C[C@H]([NH3+])c1nc(-c2ccccn2)cs1 ZINC000011887247 345053352 /nfs/dbraw/zinc/05/33/52/345053352.db2.gz LNJIDLSPRJKYHG-ZETCQYMHSA-N 1 0 205.286 2.225 10 0 BEAERO CCOc1cc2c(cc1OCC)CC[N+](C)=C2 ZINC000011919484 345072778 /nfs/dbraw/zinc/07/27/78/345072778.db2.gz SCMYDXPUFCAKOO-UHFFFAOYSA-N 1 0 234.319 2.101 10 0 BEAERO [NH2+]=C(NC1CC1)SC[C@@H]1Cc2ccccc2O1 ZINC000155293769 345076226 /nfs/dbraw/zinc/07/62/26/345076226.db2.gz PKPHXZYNHYXZDK-NSHDSACASA-N 1 0 248.351 2.410 10 0 BEAERO Cc1ccc(Oc2cccc(C[NH3+])c2)nn1 ZINC000043558719 178820875 /nfs/dbraw/zinc/82/08/75/178820875.db2.gz ZVRQNGRODUWUBP-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO [NH3+]Cc1c(Cl)nccc1OC(F)(F)F ZINC000238604662 345090199 /nfs/dbraw/zinc/09/01/99/345090199.db2.gz LLBDWVHDUAGRHO-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO CCC1CCC([NH2+]C2CCS(=O)CC2)CC1 ZINC000042354255 168519992 /nfs/dbraw/zinc/51/99/92/168519992.db2.gz WUYWKIPFYRRVKF-UHFFFAOYSA-N 1 0 243.416 2.456 10 0 BEAERO C[C@H]1SCC[C@]12[NH2+]C(C)(C)CS2 ZINC000235683323 345172591 /nfs/dbraw/zinc/17/25/91/345172591.db2.gz NPAFOKYPBICJCG-VXNVDRBHSA-N 1 0 203.376 2.323 10 0 BEAERO O=C1c2ccccc2CC[C@@]12CCCC[NH2+]2 ZINC000146578549 345151063 /nfs/dbraw/zinc/15/10/63/345151063.db2.gz MTJXFDCEGJPPAE-AWEZNQCLSA-N 1 0 215.296 2.328 10 0 BEAERO Cc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000635010951 345212656 /nfs/dbraw/zinc/21/26/56/345212656.db2.gz WTIOIFBRYAAMCN-RYUDHWBXSA-N 1 0 222.332 2.066 10 0 BEAERO Cc1ccccc1C(=O)C1(C[NH3+])CCC1 ZINC000226792030 345294705 /nfs/dbraw/zinc/29/47/05/345294705.db2.gz PVYKAMUPKLHPJB-UHFFFAOYSA-N 1 0 203.285 2.307 10 0 BEAERO C[C@H](c1cccs1)N1CCC[C@H]1C[NH3+] ZINC000247722740 345312011 /nfs/dbraw/zinc/31/20/11/345312011.db2.gz BWCOTXLGXJMJTJ-ZJUUUORDSA-N 1 0 210.346 2.232 10 0 BEAERO Cc1ccc([C@H]2CN(CCCF)CCO2)o1 ZINC000158941606 345389976 /nfs/dbraw/zinc/38/99/76/345389976.db2.gz AYQCGWGHUIYKQF-GFCCVEGCSA-N 1 0 227.279 2.321 10 0 BEAERO Cc1ccc([C@@H]([NH3+])C2CCOCC2)s1 ZINC000061671426 178858643 /nfs/dbraw/zinc/85/86/43/178858643.db2.gz PPJLYNZEHLCBTF-NSHDSACASA-N 1 0 211.330 2.483 10 0 BEAERO Cc1ccc([C@@H]([NH3+])Cc2ncc[nH]2)cc1C ZINC000036946876 178859426 /nfs/dbraw/zinc/85/94/26/178859426.db2.gz TXOPZRFQDFHSIF-LBPRGKRZSA-N 1 0 215.300 2.269 10 0 BEAERO C[NH2+][C@@H]1CSC[C@@H]1Cc1cccs1 ZINC000134590537 345416539 /nfs/dbraw/zinc/41/65/39/345416539.db2.gz ZTZIMZKMMOZLDE-WCBMZHEXSA-N 1 0 213.371 2.242 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCCC2)c1 ZINC000134798817 345421732 /nfs/dbraw/zinc/42/17/32/345421732.db2.gz HRRFWFPQCHZTLW-ZDUSSCGKSA-N 1 0 246.354 2.268 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1CCc1nccs1 ZINC000135529325 345444372 /nfs/dbraw/zinc/44/43/72/345444372.db2.gz IHBMLHHEJOVSLZ-ZJUUUORDSA-N 1 0 210.346 2.321 10 0 BEAERO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000133990986 345394116 /nfs/dbraw/zinc/39/41/16/345394116.db2.gz KMTKUWKINMGDLA-ZJUUUORDSA-N 1 0 226.295 2.296 10 0 BEAERO Cc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1C ZINC000032010504 178868131 /nfs/dbraw/zinc/86/81/31/178868131.db2.gz RUPIOMHHRVRLLC-QWHCGFSZSA-N 1 0 205.301 2.089 10 0 BEAERO CCCCOCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000135899205 345464766 /nfs/dbraw/zinc/46/47/66/345464766.db2.gz URRTYNXCTBHXLK-CHWSQXEVSA-N 1 0 229.364 2.086 10 0 BEAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000133989388 345477101 /nfs/dbraw/zinc/47/71/01/345477101.db2.gz STGFYXASCDNXAS-HOSYDEDBSA-N 1 0 225.357 2.446 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000136120060 345478578 /nfs/dbraw/zinc/47/85/78/345478578.db2.gz JHRRTNZZVDHOOE-FRRDWIJNSA-N 1 0 238.375 2.166 10 0 BEAERO Fc1ccc(F)c(SC2C[NH2+]C2)c1 ZINC000054931797 345561297 /nfs/dbraw/zinc/56/12/97/345561297.db2.gz CBAGURHHDMCYMQ-UHFFFAOYSA-N 1 0 201.241 2.029 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]CCC(N)=O)c2ccccc21 ZINC000136958595 345565493 /nfs/dbraw/zinc/56/54/93/345565493.db2.gz SGEPSRPQDJWQJU-MFKMUULPSA-N 1 0 232.327 2.090 10 0 BEAERO Cc1ccc([C@H]([NH3+])C2CCOCC2)cc1 ZINC000061671353 178906599 /nfs/dbraw/zinc/90/65/99/178906599.db2.gz NTRPNEVWCGUGGN-ZDUSSCGKSA-N 1 0 205.301 2.421 10 0 BEAERO CC(C)(C)OC(=O)N1CC([NH3+])(c2ccccc2)C1 ZINC000143828312 345757157 /nfs/dbraw/zinc/75/71/57/345757157.db2.gz ZIGCVNGIYACWBN-UHFFFAOYSA-N 1 0 248.326 2.091 10 0 BEAERO c1coc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000097103953 537909730 /nfs/dbraw/zinc/90/97/30/537909730.db2.gz UNZVSOGFRUOCQF-GFCCVEGCSA-N 1 0 231.299 2.141 10 0 BEAERO CCC[N@@H+]1CCNc2c(N)cccc2[C@H]1C ZINC000034116920 345817319 /nfs/dbraw/zinc/81/73/19/345817319.db2.gz YFKIZFLBXXMVEC-SNVBAGLBSA-N 1 0 219.332 2.467 10 0 BEAERO C[C@@H]1Cc2nc[nH]c2[C@@H](c2ccccc2)[NH2+]1 ZINC000034217286 345819425 /nfs/dbraw/zinc/81/94/25/345819425.db2.gz HPBPDFQEUXPCQU-BXKDBHETSA-N 1 0 213.284 2.033 10 0 BEAERO Cc1cc(Cl)nc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000257352341 345773434 /nfs/dbraw/zinc/77/34/34/345773434.db2.gz KPYSTRKSUJXSNQ-KYZUINATSA-N 1 0 240.738 2.120 10 0 BEAERO Fc1ccc2c(cccc2N2CC[NH2+]CC2)c1 ZINC000034325849 345821391 /nfs/dbraw/zinc/82/13/91/345821391.db2.gz KENIOSDTYGBWIO-UHFFFAOYSA-N 1 0 230.286 2.389 10 0 BEAERO Cc1ccc([C@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000041213753 178915378 /nfs/dbraw/zinc/91/53/78/178915378.db2.gz AENPYXBJSZERPT-STQMWFEESA-N 1 0 205.301 2.171 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000074010470 537911466 /nfs/dbraw/zinc/91/14/66/537911466.db2.gz FHNAWGIPICODMB-NWDGAFQWSA-N 1 0 224.735 2.434 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1cc(F)cc(F)c1 ZINC000074001593 537912542 /nfs/dbraw/zinc/91/25/42/537912542.db2.gz PDEPJIGNWGLTQI-VXGBXAGGSA-N 1 0 226.270 2.059 10 0 BEAERO CCc1ccccc1[C@H](C)C1=[NH+]CCN1 ZINC000114910132 345801436 /nfs/dbraw/zinc/80/14/36/345801436.db2.gz NMBNXDWCJIKWBJ-JTQLQIEISA-N 1 0 202.301 2.354 10 0 BEAERO Cc1ccc([C@](C)(CO)[NH2+]C(C)C)cc1 ZINC000038115574 178925254 /nfs/dbraw/zinc/92/52/54/178925254.db2.gz DBHKXVBXPXZQAX-ZDUSSCGKSA-N 1 0 207.317 2.201 10 0 BEAERO Cc1ccc([C@](O)([C@@H](C)[NH3+])C(F)(F)F)cc1 ZINC000062784238 178926303 /nfs/dbraw/zinc/92/63/03/178926303.db2.gz DPSFPSKYLGSABW-PSASIEDQSA-N 1 0 233.233 2.092 10 0 BEAERO CCc1nc2c(ccc3c2CC[NH2+]CC3)o1 ZINC000140674570 345856591 /nfs/dbraw/zinc/85/65/91/345856591.db2.gz ZPNXHHRCEMMBNJ-UHFFFAOYSA-N 1 0 216.284 2.078 10 0 BEAERO CC(C)[C@@H]1CN(c2nc3ccccc3o2)CC[NH2+]1 ZINC000141371596 345860035 /nfs/dbraw/zinc/86/00/35/345860035.db2.gz LYLIZKJRTIKTOG-LBPRGKRZSA-N 1 0 245.326 2.262 10 0 BEAERO O=C(c1ccccc1)[C@H]1CC2CC[NH+]1CC2 ZINC000136887158 345825244 /nfs/dbraw/zinc/82/52/44/345825244.db2.gz DNDSUVVGUXQWAH-CYBMUJFWSA-N 1 0 215.296 2.354 10 0 BEAERO [NH3+]Cc1ccc2c(cnn2[C@H]2CCCCO2)c1 ZINC000034506209 345829572 /nfs/dbraw/zinc/82/95/72/345829572.db2.gz UZBWPUYQBFLKNT-CYBMUJFWSA-N 1 0 231.299 2.194 10 0 BEAERO CC(C)Oc1cccnc1N(C)C1CC[NH2+]CC1 ZINC000034507862 345830092 /nfs/dbraw/zinc/83/00/92/345830092.db2.gz UHHJSHSRWUKCIP-UHFFFAOYSA-N 1 0 249.358 2.057 10 0 BEAERO Cc1cccc2c1CC[NH2+][C@@H]2CN1CCCC1 ZINC000034426619 345832658 /nfs/dbraw/zinc/83/26/58/345832658.db2.gz FUIUUKVILHNGAG-OAHLLOKOSA-N 1 0 230.355 2.278 10 0 BEAERO [NH3+]C1CN(Cc2ccc(Cl)cc2Cl)C1 ZINC000083634537 345919441 /nfs/dbraw/zinc/91/94/41/345919441.db2.gz JEMWSYHSVUWWJI-UHFFFAOYSA-N 1 0 231.126 2.136 10 0 BEAERO CCN(CC)c1cc(NC)[nH+]c(C2CC2)n1 ZINC000087908878 345940380 /nfs/dbraw/zinc/94/03/80/345940380.db2.gz YBXQJIBKLAPJMA-UHFFFAOYSA-N 1 0 220.320 2.242 10 0 BEAERO Cc1nc(N[C@H]2CCCC[C@H]2C)cc(N)[nH+]1 ZINC000087808218 345942060 /nfs/dbraw/zinc/94/20/60/345942060.db2.gz QYJBYPDUTCEYJY-SCZZXKLOSA-N 1 0 220.320 2.358 10 0 BEAERO CC[C@@H]1CCCCN1c1cc(N)[nH+]c(C)n1 ZINC000087808994 345942115 /nfs/dbraw/zinc/94/21/15/345942115.db2.gz WDSYJVMLNQJBKM-SNVBAGLBSA-N 1 0 220.320 2.136 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@H]2[C@H]1CCCO1 ZINC000307642589 537924488 /nfs/dbraw/zinc/92/44/88/537924488.db2.gz MCDOPERHCKBCMQ-MWLCHTKSSA-N 1 0 209.314 2.114 10 0 BEAERO CC(C)n1c([C@@H]2CC[NH2+]C2)nc2cccnc21 ZINC000088872068 345945616 /nfs/dbraw/zinc/94/56/16/345945616.db2.gz PBTOXOXUAUZKQA-SNVBAGLBSA-N 1 0 230.315 2.089 10 0 BEAERO CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648655 345990779 /nfs/dbraw/zinc/99/07/79/345990779.db2.gz LLBUBVWGIBFGNJ-YVECIDJPSA-N 1 0 240.391 2.315 10 0 BEAERO [NH3+]CCc1c(F)ccc(Br)c1F ZINC000075845464 537932049 /nfs/dbraw/zinc/93/20/49/537932049.db2.gz NGSXXLGUCXZORG-UHFFFAOYSA-N 1 0 236.059 2.229 10 0 BEAERO O[C@@H]1c2ccccc2C[C@@H]1C[C@H]1CCCC[NH2+]1 ZINC000095776343 346075552 /nfs/dbraw/zinc/07/55/52/346075552.db2.gz NSKQZYPQQYYWJR-NFAWXSAZSA-N 1 0 231.339 2.425 10 0 BEAERO Cc1ccc(-c2ccc(F)nc2)c(C[NH3+])n1 ZINC000669372266 537949902 /nfs/dbraw/zinc/94/99/02/537949902.db2.gz LSJZTGPIZKHLFG-UHFFFAOYSA-N 1 0 217.247 2.050 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CNc1ccnc(Cl)n1 ZINC000051849416 346148511 /nfs/dbraw/zinc/14/85/11/346148511.db2.gz NCKDHCANHPIPIJ-SECBINFHSA-N 1 0 240.738 2.026 10 0 BEAERO Cc1nn(-c2cccc(C)c2)c(C)c1CC[NH3+] ZINC000041251747 179001247 /nfs/dbraw/zinc/00/12/47/179001247.db2.gz XQLBNCYVCQUATB-UHFFFAOYSA-N 1 0 229.327 2.299 10 0 BEAERO [NH3+]CC1(Nc2ccccc2Br)CC1 ZINC000236234614 346213312 /nfs/dbraw/zinc/21/33/12/346213312.db2.gz LJVPXISYGRKUNL-UHFFFAOYSA-N 1 0 241.132 2.352 10 0 BEAERO Cc1cccc(C(=O)CN2CCSC2=[NH2+])c1 ZINC000169314203 179004208 /nfs/dbraw/zinc/00/42/08/179004208.db2.gz YGMBLAVLGCCCJW-UHFFFAOYSA-N 1 0 234.324 2.161 10 0 BEAERO Nc1c[nH+]cc(Br)c1NC1CCC1 ZINC000236371566 346231664 /nfs/dbraw/zinc/23/16/64/346231664.db2.gz WOZLCJQVFNPLNO-UHFFFAOYSA-N 1 0 242.120 2.391 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1cc(F)ccc1Br ZINC000236307932 346224446 /nfs/dbraw/zinc/22/44/46/346224446.db2.gz KYTNKOSONZQXDC-IONNQARKSA-N 1 0 230.080 2.403 10 0 BEAERO c1ccc(COC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000034409050 346267023 /nfs/dbraw/zinc/26/70/23/346267023.db2.gz OCJXYFLSCJUXSK-PBWFPOADSA-N 1 0 217.312 2.486 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)CC(C)(C)C1 ZINC000380311918 346297932 /nfs/dbraw/zinc/29/79/32/346297932.db2.gz HLBXZDYZSPEYGA-NOOOWODRSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1cccc(C)c1NC(=O)C[C@@H](C)C[NH3+] ZINC000076610222 179041221 /nfs/dbraw/zinc/04/12/21/179041221.db2.gz JNFNVWYMENUTLB-SECBINFHSA-N 1 0 220.316 2.227 10 0 BEAERO Cc1cccc(C)c1OCCCC(N)=[NH2+] ZINC000019519806 179046451 /nfs/dbraw/zinc/04/64/51/179046451.db2.gz KEQCLEGVWPGLHH-UHFFFAOYSA-N 1 0 206.289 2.398 10 0 BEAERO Cc1cccc(C)c1OCCO[C@H](C)C[NH3+] ZINC000074527817 179046482 /nfs/dbraw/zinc/04/64/82/179046482.db2.gz JKOQNHVEGIXIOZ-GFCCVEGCSA-N 1 0 223.316 2.046 10 0 BEAERO Cc1cccc(C)c1O[C@@H](C)C1=[NH+]CCCN1 ZINC000027705115 179047468 /nfs/dbraw/zinc/04/74/68/179047468.db2.gz KBBFVNAJTYAISE-LBPRGKRZSA-N 1 0 232.327 2.463 10 0 BEAERO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C1CCC1 ZINC000052210193 179048146 /nfs/dbraw/zinc/04/81/46/179048146.db2.gz GMLXRIPGYBXDPF-AWEZNQCLSA-N 1 0 249.354 2.185 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)CC1 ZINC000641771729 362710103 /nfs/dbraw/zinc/71/01/03/362710103.db2.gz BQTCJLNLNJPVAU-GMKTYKIGSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1cccc(CC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000041230097 179052333 /nfs/dbraw/zinc/05/23/33/179052333.db2.gz AGAPXGJEXCKCQX-ZDUSSCGKSA-N 1 0 217.312 2.106 10 0 BEAERO Cc1cccc(CC2([NH3+])CCOCC2)c1 ZINC000016745503 179053121 /nfs/dbraw/zinc/05/31/21/179053121.db2.gz QCCGCWKGSWEVBM-UHFFFAOYSA-N 1 0 205.301 2.045 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C2CC(CO)C2)CC1 ZINC000641771731 362710592 /nfs/dbraw/zinc/71/05/92/362710592.db2.gz BQTCJLNLNJPVAU-IGJPJIBNSA-N 1 0 211.349 2.316 10 0 BEAERO c1cn2cc(C[NH2+]C3CCC3)nc2s1 ZINC000148686524 346405430 /nfs/dbraw/zinc/40/54/30/346405430.db2.gz GWPRZETVTUSILO-UHFFFAOYSA-N 1 0 207.302 2.038 10 0 BEAERO [NH3+]C1CC(F)(c2cccc(F)c2F)C1 ZINC000158157828 346390951 /nfs/dbraw/zinc/39/09/51/346390951.db2.gz IDXASDMBAOAWQG-UHFFFAOYSA-N 1 0 201.191 2.251 10 0 BEAERO Cc1cccc(CN2CC[NH2+]C[C@@H](C)C2)c1 ZINC000049662238 179080585 /nfs/dbraw/zinc/08/05/85/179080585.db2.gz RGPSZQVPGADQMK-CYBMUJFWSA-N 1 0 218.344 2.036 10 0 BEAERO CCC([NH3+])(CC)CNc1ncccc1OC ZINC000160298159 346446988 /nfs/dbraw/zinc/44/69/88/346446988.db2.gz BGCWXHCODMSJPH-UHFFFAOYSA-N 1 0 223.320 2.020 10 0 BEAERO [NH3+]Cc1cc(Cl)cc(CN2CCC2)c1 ZINC000669379483 537980120 /nfs/dbraw/zinc/98/01/20/537980120.db2.gz DJAPFMGHYXKXHE-UHFFFAOYSA-N 1 0 210.708 2.004 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(CO)cs2)C1 ZINC000669379426 537978960 /nfs/dbraw/zinc/97/89/60/537978960.db2.gz ATZNRXVQGXCCER-NXEZZACHSA-N 1 0 240.372 2.113 10 0 BEAERO CC1(C)C[N@H+](C[C@H]2Cc3ccccc32)C[C@@H]1O ZINC000334271239 346458144 /nfs/dbraw/zinc/45/81/44/346458144.db2.gz GSNKFUUTGKPPNF-OCCSQVGLSA-N 1 0 231.339 2.029 10 0 BEAERO CC1(C)C[N@H+](C[C@@H]2Cc3ccccc32)C[C@H]1O ZINC000334271233 346458214 /nfs/dbraw/zinc/45/82/14/346458214.db2.gz GSNKFUUTGKPPNF-GXTWGEPZSA-N 1 0 231.339 2.029 10 0 BEAERO Cc1cccc(C[NH2+]C[C@@H]2CCCCO2)n1 ZINC000051575926 179091326 /nfs/dbraw/zinc/09/13/26/179091326.db2.gz VNPICCGISYKSMZ-ZDUSSCGKSA-N 1 0 220.316 2.049 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@@H]1O ZINC000229837204 346468742 /nfs/dbraw/zinc/46/87/42/346468742.db2.gz PQRVAWUIQXVUHR-OCCSQVGLSA-N 1 0 237.318 2.419 10 0 BEAERO Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1F ZINC000295772426 179094112 /nfs/dbraw/zinc/09/41/12/179094112.db2.gz QYUKUYVDMXITBA-DGCLKSJQSA-N 1 0 237.318 2.385 10 0 BEAERO c1ncn(Cc2ccccc2)c1[C@@H]1CCC[NH2+]C1 ZINC000217355205 346472374 /nfs/dbraw/zinc/47/23/74/346472374.db2.gz CQXFFLYILHBUJN-CQSZACIVSA-N 1 0 241.338 2.398 10 0 BEAERO c1ncn(Cc2ccccc2)c1C1CC[NH2+]CC1 ZINC000217355383 346481813 /nfs/dbraw/zinc/48/18/13/346481813.db2.gz QZZUQRYPGUTXDH-UHFFFAOYSA-N 1 0 241.338 2.398 10 0 BEAERO Cc1nc(C[NH3+])sc1-c1cc(C2CC2)no1 ZINC000669379601 537980533 /nfs/dbraw/zinc/98/05/33/537980533.db2.gz GNNCLUIGMPAQRA-UHFFFAOYSA-N 1 0 235.312 2.443 10 0 BEAERO CCC1CCC([NH2+]CCN(C)CC)CC1 ZINC000054109765 1172085778 /nfs/dbraw/zinc/08/57/78/1172085778.db2.gz CSQCEXAWJXEJQO-UHFFFAOYSA-N 1 0 212.381 2.497 10 0 BEAERO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000123186275 179099990 /nfs/dbraw/zinc/09/99/90/179099990.db2.gz YODASVRVBOEVSM-NWDGAFQWSA-N 1 0 207.317 2.102 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)c1F ZINC000294995227 179101485 /nfs/dbraw/zinc/10/14/85/179101485.db2.gz HHOPLOZDPDVGMC-PWSUYJOCSA-N 1 0 223.291 2.401 10 0 BEAERO Cc1cccc(C[C@H]([NH3+])C[C@@H]2CCCO2)c1 ZINC000037466737 179106016 /nfs/dbraw/zinc/10/60/16/179106016.db2.gz PEHKPUUGPNGBHG-KBPBESRZSA-N 1 0 219.328 2.434 10 0 BEAERO CC1CCC([C@H]([NH3+])c2cnns2)CC1 ZINC000163422961 346560119 /nfs/dbraw/zinc/56/01/19/346560119.db2.gz AZHYQVZIKFDCNT-KTOWXAHTSA-N 1 0 211.334 2.364 10 0 BEAERO Cc1cccc(N(CCC[NH3+])C(=O)C2CC2)c1 ZINC000020232607 179118772 /nfs/dbraw/zinc/11/87/72/179118772.db2.gz AERNRRBBUCBZOY-UHFFFAOYSA-N 1 0 232.327 2.087 10 0 BEAERO [NH3+]C1CCN([C@@H]2CCc3cc(F)ccc32)CC1 ZINC000162654391 346533723 /nfs/dbraw/zinc/53/37/23/346533723.db2.gz OQNYPPFRGHTFJS-CQSZACIVSA-N 1 0 234.318 2.236 10 0 BEAERO CCCN1CC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250040133 362768640 /nfs/dbraw/zinc/76/86/40/362768640.db2.gz UJVFXUJJPZMMKH-WDEREUQCSA-N 1 0 210.346 2.232 10 0 BEAERO C[NH2+][C@H]1COc2cc(Br)c(F)cc21 ZINC000149086088 346543201 /nfs/dbraw/zinc/54/32/01/346543201.db2.gz LZKMFGAPFDKUBV-QMMMGPOBSA-N 1 0 246.079 2.241 10 0 BEAERO Cc1cccc(N(C)Cc2cc(C[NH3+])no2)c1 ZINC000052518042 179117882 /nfs/dbraw/zinc/11/78/82/179117882.db2.gz XHVFKYPNHHZUOJ-UHFFFAOYSA-N 1 0 231.299 2.078 10 0 BEAERO Cc1cccc(Cn2cc([C@H](C)[NH3+])cn2)c1 ZINC000054716874 179109739 /nfs/dbraw/zinc/10/97/39/179109739.db2.gz YCJGGSKYBBLVAS-NSHDSACASA-N 1 0 215.300 2.260 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1ccccc1Br ZINC000164018907 346586815 /nfs/dbraw/zinc/58/68/15/346586815.db2.gz JSIMUSZIPMEEQA-ZETCQYMHSA-N 1 0 242.116 2.369 10 0 BEAERO Cc1cncc([C@H]([NH3+])[C@@H]2CCSC2)c1 ZINC000164743503 346622105 /nfs/dbraw/zinc/62/21/05/346622105.db2.gz VZUNEZHIQMNYBP-MWLCHTKSSA-N 1 0 208.330 2.143 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc(Cl)cs1 ZINC000165286783 346646586 /nfs/dbraw/zinc/64/65/86/346646586.db2.gz VCCCFHCFRKSPQS-BQBZGAKWSA-N 1 0 231.752 2.478 10 0 BEAERO Fc1ccnc(N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000585681312 346653728 /nfs/dbraw/zinc/65/37/28/346653728.db2.gz ANRZAFYJVFOKLF-UHFFFAOYSA-N 1 0 249.333 2.191 10 0 BEAERO Cc1cccc(NC(=O)C[NH2+][C@@H](C)C2CC2)c1 ZINC000035142250 179129124 /nfs/dbraw/zinc/12/91/24/179129124.db2.gz KPDZPTMMFXJMAA-NSHDSACASA-N 1 0 232.327 2.322 10 0 BEAERO Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054290540 179129750 /nfs/dbraw/zinc/12/97/50/179129750.db2.gz BTRWBSLWDTWHRW-LBPRGKRZSA-N 1 0 232.327 2.323 10 0 BEAERO Cc1cccc(NC(=O)N(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000037541713 179130638 /nfs/dbraw/zinc/13/06/38/179130638.db2.gz XJUBEFGGPZVBNE-CYBMUJFWSA-N 1 0 247.342 2.211 10 0 BEAERO CSc1cccc(Br)c1C(N)=[NH2+] ZINC000165060143 346637711 /nfs/dbraw/zinc/63/77/11/346637711.db2.gz OODOJDHPZSDNPI-UHFFFAOYSA-N 1 0 245.145 2.455 10 0 BEAERO Cc1cccc(N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000335040244 179156768 /nfs/dbraw/zinc/15/67/68/179156768.db2.gz DCXUULIHJWOMAV-NEPJUHHUSA-N 1 0 204.317 2.405 10 0 BEAERO CCC[C@@H](C)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242753 537986263 /nfs/dbraw/zinc/98/62/63/537986263.db2.gz QAWMGLHVVCDMLS-MWLCHTKSSA-N 1 0 207.321 2.043 10 0 BEAERO CC(C)CNC1=[NH+]CC(C)(C)CS1 ZINC000168720392 346741877 /nfs/dbraw/zinc/74/18/77/346741877.db2.gz XCYAKRFEUDYJMO-UHFFFAOYSA-N 1 0 200.351 2.361 10 0 BEAERO COc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC000098187021 346786837 /nfs/dbraw/zinc/78/68/37/346786837.db2.gz MDZPGRLORBEUEZ-UHFFFAOYSA-N 1 0 249.289 2.109 10 0 BEAERO Cc1cccc(OCCC[NH+]2CCC(O)CC2)c1 ZINC000032104673 179164865 /nfs/dbraw/zinc/16/48/65/179164865.db2.gz QIXFPCQGAFNILM-UHFFFAOYSA-N 1 0 249.354 2.221 10 0 BEAERO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000378676016 346802779 /nfs/dbraw/zinc/80/27/79/346802779.db2.gz PGPPHYLRWDYLJX-RVMXOQNASA-N 1 0 227.323 2.041 10 0 BEAERO Cc1cccc(OCC[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000042896651 179167786 /nfs/dbraw/zinc/16/77/86/179167786.db2.gz QQANFLAAPLMHAL-CABCVRRESA-N 1 0 249.354 2.267 10 0 BEAERO Cc1cccc(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000041266041 179167803 /nfs/dbraw/zinc/16/78/03/179167803.db2.gz IBTZJNPWUGIKRC-AWEZNQCLSA-N 1 0 235.327 2.142 10 0 BEAERO Cc1cccc(OCC[NH2+]CC2CCOCC2)c1 ZINC000052172541 179167930 /nfs/dbraw/zinc/16/79/30/179167930.db2.gz LASXVRHZBOFFKW-UHFFFAOYSA-N 1 0 249.354 2.390 10 0 BEAERO Cc1cccc(OCC[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000042896660 179168684 /nfs/dbraw/zinc/16/86/84/179168684.db2.gz QQANFLAAPLMHAL-LSDHHAIUSA-N 1 0 249.354 2.267 10 0 BEAERO Cc1cccc(OC[C@@H]2CC[C@H](C[NH3+])O2)c1C ZINC000052654702 179170723 /nfs/dbraw/zinc/17/07/23/179170723.db2.gz MOIFLVLYOKYFDF-OLZOCXBDSA-N 1 0 235.327 2.189 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])OC[C@@H]2CCCO2)c1 ZINC000042968420 179185234 /nfs/dbraw/zinc/18/52/34/179185234.db2.gz IJGHFRHGPQPHHO-UONOGXRCSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1cccc([C@@H]([NH3+])C2CCOCC2)c1 ZINC000068957038 179185259 /nfs/dbraw/zinc/18/52/59/179185259.db2.gz OKQSDCXJZBMJEP-ZDUSSCGKSA-N 1 0 205.301 2.421 10 0 BEAERO Cc1cccc([C@@H]([NH2+]C2CCCC2)C(N)=O)c1 ZINC000037968687 179186858 /nfs/dbraw/zinc/18/68/58/179186858.db2.gz APNXFDRYWHLAQO-CYBMUJFWSA-N 1 0 232.327 2.054 10 0 BEAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])n2cccn2)c1 ZINC000042967723 179188591 /nfs/dbraw/zinc/18/85/91/179188591.db2.gz PCULPZGXXNYLSR-DGCLKSJQSA-N 1 0 215.300 2.128 10 0 BEAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCOC[C@@H]2C)c1 ZINC000042966203 179188634 /nfs/dbraw/zinc/18/86/34/179188634.db2.gz OZANLYRGZRPEQU-KCQAQPDRSA-N 1 0 248.370 2.104 10 0 BEAERO CCC[C@H](C)c1nc([C@H]2CC[NH2+]C2)no1 ZINC000669380236 537988129 /nfs/dbraw/zinc/98/81/29/537988129.db2.gz KAVXKVSXGGYOKB-IUCAKERBSA-N 1 0 209.293 2.050 10 0 BEAERO CCC[C@@H](C)c1nc([C@H]2CC[NH2+]C2)no1 ZINC000669380234 537988271 /nfs/dbraw/zinc/98/82/71/537988271.db2.gz KAVXKVSXGGYOKB-BDAKNGLRSA-N 1 0 209.293 2.050 10 0 BEAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000133044640 179196744 /nfs/dbraw/zinc/19/67/44/179196744.db2.gz XYKUUYKVFSWHSL-GXTWGEPZSA-N 1 0 246.354 2.266 10 0 BEAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCO[C@H](C)C2)c1 ZINC000042965442 179204108 /nfs/dbraw/zinc/20/41/08/179204108.db2.gz IOXQMUKTAQNNSP-NFAWXSAZSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1cccc([C@](O)([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784498 179204971 /nfs/dbraw/zinc/20/49/71/179204971.db2.gz CNHOSQVSNPCTLU-PSASIEDQSA-N 1 0 233.233 2.092 10 0 BEAERO CO[C@@H]1CCC[C@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC000250456711 362804796 /nfs/dbraw/zinc/80/47/96/362804796.db2.gz ITDVKJOYKBWBGW-MCIONIFRSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCC1=O ZINC000250507554 362807149 /nfs/dbraw/zinc/80/71/49/362807149.db2.gz ACSPJVMTHJDCIG-NEPJUHHUSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1cccc([C@H]([NH2+]C2CCCC2)C(N)=O)c1 ZINC000037968686 179202153 /nfs/dbraw/zinc/20/21/53/179202153.db2.gz APNXFDRYWHLAQO-ZDUSSCGKSA-N 1 0 232.327 2.054 10 0 BEAERO Cc1cccc([C@H](O)[C@@H]2CCC[NH2+]2)c1C ZINC000041214059 179202506 /nfs/dbraw/zinc/20/25/06/179202506.db2.gz WGZIOTAVWHYBBX-STQMWFEESA-N 1 0 205.301 2.089 10 0 BEAERO Cc1cccc2c1CC[C@H]2[NH2+]CC[C@@H](C)O ZINC000119011846 179216127 /nfs/dbraw/zinc/21/61/27/179216127.db2.gz DLKSVHRMIQOHDW-BXUZGUMPSA-N 1 0 219.328 2.343 10 0 BEAERO c1cc2c(o1)CC[NH2+][C@@]21C[C@H]2CCC[C@@H]21 ZINC000725242865 537989066 /nfs/dbraw/zinc/98/90/66/537989066.db2.gz HIBWAUBCRGTXDN-GBIKHYSHSA-N 1 0 203.285 2.441 10 0 BEAERO Cc1cccc2cc(C(=O)CC[NH3+])oc21 ZINC000082914554 179227428 /nfs/dbraw/zinc/22/74/28/179227428.db2.gz DTUXALIOPSEVIT-UHFFFAOYSA-N 1 0 203.241 2.273 10 0 BEAERO Cc1ccccc1-c1nc([C@H](C)[NH3+])no1 ZINC000041052264 179237955 /nfs/dbraw/zinc/23/79/55/179237955.db2.gz YOURBXWFUJPVEB-QMMMGPOBSA-N 1 0 203.245 2.065 10 0 BEAERO CCC[C@@H]1[NH2+][C@H](C)CC[S@](=O)[C@H]1CC ZINC000251173317 362842462 /nfs/dbraw/zinc/84/24/62/362842462.db2.gz QCGOZGXXPYFGFN-ZHPDPMBESA-N 1 0 217.378 2.064 10 0 BEAERO Cc1ccccc1C(=O)NC[C@@H]1[NH2+]CCC[C@H]1C ZINC000071338505 179249351 /nfs/dbraw/zinc/24/93/51/179249351.db2.gz XSHAFEJUWMSNQS-OCCSQVGLSA-N 1 0 246.354 2.113 10 0 BEAERO Cc1ccccc1C(=O)NC[C@H]1CCC[C@H](C)[NH2+]1 ZINC000051572949 179251081 /nfs/dbraw/zinc/25/10/81/179251081.db2.gz BGHVOAXTWYKLFT-QWHCGFSZSA-N 1 0 246.354 2.255 10 0 BEAERO C[NH2+]Cc1csc([C@@H]2CC[C@H](C)O2)n1 ZINC000149939806 347570533 /nfs/dbraw/zinc/57/05/33/347570533.db2.gz WRJISYHYEIFNPA-CBAPKCEASA-N 1 0 212.318 2.103 10 0 BEAERO C[C@@H]([NH3+])Cc1c(F)cccc1Br ZINC000221847073 347599501 /nfs/dbraw/zinc/59/95/01/347599501.db2.gz RTOFOLGOYRWMCW-ZCFIWIBFSA-N 1 0 232.096 2.478 10 0 BEAERO CS[C@@H]1CC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000591835161 347702950 /nfs/dbraw/zinc/70/29/50/347702950.db2.gz CEIKKTVAYKDOKX-HBNTYKKESA-N 1 0 215.362 2.039 10 0 BEAERO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308508340 347747119 /nfs/dbraw/zinc/74/71/19/347747119.db2.gz AXAFVHVUEWFPTC-WDEREUQCSA-N 1 0 201.354 2.275 10 0 BEAERO Cc1ccccc1N(C)C[C@H]1CCC[NH2+]1 ZINC000049986723 179294760 /nfs/dbraw/zinc/29/47/60/179294760.db2.gz DGNYSGAJGHGGPL-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccccc1N(C)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000049990844 179294901 /nfs/dbraw/zinc/29/49/01/179294901.db2.gz IPFPHYLYXMKAIA-STQMWFEESA-N 1 0 246.354 2.488 10 0 BEAERO Cc1ccccc1C[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000062237095 179289974 /nfs/dbraw/zinc/28/99/74/179289974.db2.gz GVGPGXHCYAAJBL-UONOGXRCSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1ccccc1C[C@@H]([NH3+])C1CCOCC1 ZINC000061672864 179290112 /nfs/dbraw/zinc/29/01/12/179290112.db2.gz XSGVGPQYEFCPET-CQSZACIVSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1ccccc1C[C@H]([NH3+])C1CCOCC1 ZINC000061672863 179291792 /nfs/dbraw/zinc/29/17/92/179291792.db2.gz XSGVGPQYEFCPET-AWEZNQCLSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1ccccc1C[C@H]1C[NH2+]CCS1 ZINC000071510912 179292212 /nfs/dbraw/zinc/29/22/12/179292212.db2.gz GDFBORBQLIRKSC-LBPRGKRZSA-N 1 0 207.342 2.243 10 0 BEAERO Cc1ccccc1Cc1nnc([C@H](C)[NH3+])s1 ZINC000083333075 179293342 /nfs/dbraw/zinc/29/33/42/179293342.db2.gz HTMRYMMDHKROJM-VIFPVBQESA-N 1 0 233.340 2.457 10 0 BEAERO C[C@@H]1CCC[N@H+](CC[C@H]2CCC2=O)[C@@H]1C ZINC000669381550 537994543 /nfs/dbraw/zinc/99/45/43/537994543.db2.gz NYFNRVZHCZJONM-IJLUTSLNSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1ccccc1[C@@H](O)[C@@H]1CCCC[NH2+]1 ZINC000041213733 179326227 /nfs/dbraw/zinc/32/62/27/179326227.db2.gz MWLFTQBITNMDIO-QWHCGFSZSA-N 1 0 205.301 2.171 10 0 BEAERO C[NH2+]CCCCCCN(C)C(=O)c1ccco1 ZINC000196681474 347984450 /nfs/dbraw/zinc/98/44/50/347984450.db2.gz UVWYZTGAPYXVLK-UHFFFAOYSA-N 1 0 238.331 2.131 10 0 BEAERO Cc1ccccc1[C@@](C)(CO)[NH2+]C(C)C ZINC000038115592 179331338 /nfs/dbraw/zinc/33/13/38/179331338.db2.gz MDORKEKDESYQKF-CYBMUJFWSA-N 1 0 207.317 2.201 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](C)N(C)Cc1ccccc1 ZINC000037116222 348020976 /nfs/dbraw/zinc/02/09/76/348020976.db2.gz ASHOEEGDBJWQIN-DGCLKSJQSA-N 1 0 206.333 2.244 10 0 BEAERO Cc1nccn1[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043037737 179347527 /nfs/dbraw/zinc/34/75/27/179347527.db2.gz FAKCYUYFGZZVQF-FZMZJTMJSA-N 1 0 229.327 2.437 10 0 BEAERO C1CCC([N@@H+]2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000120168212 187385464 /nfs/dbraw/zinc/38/54/64/187385464.db2.gz PKRDGKSZBSPLPZ-NWDGAFQWSA-N 1 0 227.373 2.135 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccn1 ZINC000233972624 490125547 /nfs/dbraw/zinc/12/55/47/490125547.db2.gz CTBLZQWEDDZRML-GMSGAONNSA-N 1 0 241.722 2.047 10 0 BEAERO CCCC(C[NH3+])(CCC)N1CCO[C@@H](CC)C1 ZINC000036769527 168585099 /nfs/dbraw/zinc/58/50/99/168585099.db2.gz MTELIWYUCFQABQ-ZDUSSCGKSA-N 1 0 242.407 2.395 10 0 BEAERO Cc1ccccc1[C@H](OC[C@@H]1CCOC1)[C@H](C)[NH3+] ZINC000043040575 179344960 /nfs/dbraw/zinc/34/49/60/179344960.db2.gz FAFDRZRPCDITMI-GZBFAFLISA-N 1 0 249.354 2.436 10 0 BEAERO CCCN(CC)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 ZINC000669381859 537997428 /nfs/dbraw/zinc/99/74/28/537997428.db2.gz YBACHEUUIPNXPD-XQQFMLRXSA-N 1 0 212.381 2.495 10 0 BEAERO Cc1cccnc1-c1ncc([C@H](C)[NH3+])c(C)n1 ZINC000054962665 179356755 /nfs/dbraw/zinc/35/67/55/179356755.db2.gz WXVXREDNQOUGSA-VIFPVBQESA-N 1 0 228.299 2.175 10 0 BEAERO C[C@@H]1C[C@@H](C)[NH2+][C@H](CN2CCCCC2)C1 ZINC000669381791 537998340 /nfs/dbraw/zinc/99/83/40/537998340.db2.gz VLCSIZYULOYTOY-UPJWGTAASA-N 1 0 210.365 2.249 10 0 BEAERO Cc1cccnc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000161797254 179385272 /nfs/dbraw/zinc/38/52/72/179385272.db2.gz RLPILNWNZXBFEB-YPMHNXCESA-N 1 0 220.316 2.047 10 0 BEAERO CC(=O)N1CCC([NH2+]CCC2=CCCC2)CC1 ZINC000120169350 187392491 /nfs/dbraw/zinc/39/24/91/187392491.db2.gz UEYZLGQCPLMLDC-UHFFFAOYSA-N 1 0 236.359 2.087 10 0 BEAERO C[C@@H]1C[NH2+][C@@]2(CCN(Cc3ccccc3)C2)S1 ZINC000159136458 348308453 /nfs/dbraw/zinc/30/84/53/348308453.db2.gz GKZOUYGOKJLIIK-OCCSQVGLSA-N 1 0 248.395 2.314 10 0 BEAERO Cc1cccnc1NC(=O)c1cccc(C[NH3+])c1 ZINC000019812124 179394090 /nfs/dbraw/zinc/39/40/90/179394090.db2.gz MCDLDOYOWBLXQP-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO Cc1ccn(-c2ccc([C@@H](C)[NH3+])cc2F)n1 ZINC000052884402 179398880 /nfs/dbraw/zinc/39/88/80/179398880.db2.gz QRZVASVHZLDULT-SECBINFHSA-N 1 0 219.263 2.340 10 0 BEAERO C[C@@H]1C[C@@]2(CS1)[NH2+]CC[C@H](C)S2 ZINC000251679705 362897323 /nfs/dbraw/zinc/89/73/23/362897323.db2.gz MHVFYYARFOZKRK-DJLDLDEBSA-N 1 0 203.376 2.323 10 0 BEAERO Cc1ccn(-c2ccc(Cl)cc2C[NH3+])n1 ZINC000052858015 179399594 /nfs/dbraw/zinc/39/95/94/179399594.db2.gz IESLQNSABVDHPO-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO Cc1ccn(-c2ccc(C[NH3+])cc2Cl)n1 ZINC000062793224 179399730 /nfs/dbraw/zinc/39/97/30/179399730.db2.gz BXQIWQZKZNOBAK-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO CC[N@@H+]1CC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616613606 349984467 /nfs/dbraw/zinc/98/44/67/349984467.db2.gz MMACEGNQZQVGDX-ZDUSSCGKSA-N 1 0 227.311 2.439 10 0 BEAERO Cc1nn(C)cc1C[NH2+]C1C(C)(C)C1(C)C ZINC000127928541 187395634 /nfs/dbraw/zinc/39/56/34/187395634.db2.gz HGWWVSMIUVPYAW-UHFFFAOYSA-N 1 0 221.348 2.253 10 0 BEAERO CC(C)=CC[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000237155777 187396420 /nfs/dbraw/zinc/39/64/20/187396420.db2.gz PFIYGXKPZXGQGN-LBPRGKRZSA-N 1 0 222.332 2.438 10 0 BEAERO Cc1ccnc(S[C@H]2CCC[NH2+]C2)c1 ZINC000095069301 179464358 /nfs/dbraw/zinc/46/43/58/179464358.db2.gz JCPTVAWGLZXIHN-JTQLQIEISA-N 1 0 208.330 2.234 10 0 BEAERO Cc1cc[nH+]c(NCCSCC(C)(C)O)c1 ZINC000301664691 179445987 /nfs/dbraw/zinc/44/59/87/179445987.db2.gz VZUWJWBBEFLNFG-UHFFFAOYSA-N 1 0 240.372 2.306 10 0 BEAERO Cc1ccsc1[C@@H]([C@@H](C)[NH3+])n1ccnc1C ZINC000043249112 179554057 /nfs/dbraw/zinc/55/40/57/179554057.db2.gz JEDSPOTXTWBMMA-MWLCHTKSSA-N 1 0 235.356 2.498 10 0 BEAERO [NH3+][C@@H]1C[C@]12CNc1c2cccc1C(F)(F)F ZINC000725246906 538009381 /nfs/dbraw/zinc/00/93/81/538009381.db2.gz APCKXFZRSPXWKV-PSASIEDQSA-N 1 0 228.217 2.100 10 0 BEAERO [NH3+][C@H]1CCN(c2cccc(Cl)c2F)C1 ZINC000037483542 348621336 /nfs/dbraw/zinc/62/13/36/348621336.db2.gz GVNYVSRVPRYPJO-ZETCQYMHSA-N 1 0 214.671 2.017 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@]3(C2)NCCCS3)cc1 ZINC000159147229 348644057 /nfs/dbraw/zinc/64/40/57/348644057.db2.gz HUOVKIIYIWRHRP-AWEZNQCLSA-N 1 0 248.395 2.315 10 0 BEAERO [NH3+][C@@H]1C[C@]12CNc1ccc(C(F)(F)F)cc12 ZINC000725247688 538013127 /nfs/dbraw/zinc/01/31/27/538013127.db2.gz USPJSFCLUODZPH-NXEZZACHSA-N 1 0 228.217 2.100 10 0 BEAERO CC[C@@H](c1ccccc1)N1CCC(=O)C1 ZINC000051628296 350000921 /nfs/dbraw/zinc/00/09/21/350000921.db2.gz XQHUNZLYZKTOEH-ZDUSSCGKSA-N 1 0 203.285 2.413 10 0 BEAERO Cc1ccc(Cl)c2c1[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725247603 538014059 /nfs/dbraw/zinc/01/40/59/538014059.db2.gz RVHRZLXDSIDEQA-KWQFWETISA-N 1 0 208.692 2.043 10 0 BEAERO Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@@H]1C ZINC000281447868 187404722 /nfs/dbraw/zinc/40/47/22/187404722.db2.gz SPJUJMBVHFLUOC-CABZTGNLSA-N 1 0 207.321 2.270 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306158 348979087 /nfs/dbraw/zinc/97/90/87/348979087.db2.gz BVCMVDIWKWQPHI-QWHCGFSZSA-N 1 0 240.391 2.317 10 0 BEAERO Cc1cc([C@@H]2CCC[C@H](C)[NH2+]2)cc(N)n1 ZINC000669385077 538019339 /nfs/dbraw/zinc/01/93/39/538019339.db2.gz WPLCYFPEILKKHY-KWQFWETISA-N 1 0 205.305 2.175 10 0 BEAERO Cc1cc([C@H]2CCC[C@@H](C)[NH2+]2)cc(N)n1 ZINC000669385078 538019697 /nfs/dbraw/zinc/01/96/97/538019697.db2.gz WPLCYFPEILKKHY-LDYMZIIASA-N 1 0 205.305 2.175 10 0 BEAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290223 348962232 /nfs/dbraw/zinc/96/22/32/348962232.db2.gz CASQEVMTRSDYFV-OLZOCXBDSA-N 1 0 246.354 2.254 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)[C@H]2CC2(C)C)c1 ZINC000309402506 179741329 /nfs/dbraw/zinc/74/13/29/179741329.db2.gz HNXHIVFFGQRONT-VXGBXAGGSA-N 1 0 221.348 2.216 10 0 BEAERO Cc1cnn([C@@H](c2cccc(F)c2)[C@H](C)[NH3+])c1 ZINC000042973211 179745669 /nfs/dbraw/zinc/74/56/69/179745669.db2.gz NTGIMIZXTVSYGO-GXFFZTMASA-N 1 0 233.290 2.267 10 0 BEAERO CC(C)C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334795196 349056334 /nfs/dbraw/zinc/05/63/34/349056334.db2.gz DIOYCJHQQZGAFX-NEPJUHHUSA-N 1 0 209.333 2.143 10 0 BEAERO CCn1ncc2c1[C@@H]1CCCC[C@H]1[NH2+]C2 ZINC000616573358 349069590 /nfs/dbraw/zinc/06/95/90/349069590.db2.gz LLQSTTIFLIUZLA-GHMZBOCLSA-N 1 0 205.305 2.032 10 0 BEAERO C/C=C/C(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616573371 349069679 /nfs/dbraw/zinc/06/96/79/349069679.db2.gz XVFZALUYMOBJHZ-ROLFPQFPSA-N 1 0 236.359 2.073 10 0 BEAERO CC(C)(C)c1nnc([C@H]([NH3+])C(C)(C)C)[nH]1 ZINC000616573620 349072457 /nfs/dbraw/zinc/07/24/57/349072457.db2.gz IFRBIZZBMGXKDK-ZETCQYMHSA-N 1 0 210.325 2.148 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000055089592 349084747 /nfs/dbraw/zinc/08/47/47/349084747.db2.gz ILYFVFDQQZKTSM-SRVKXCTJSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)C ZINC000616572130 349065152 /nfs/dbraw/zinc/06/51/52/349065152.db2.gz VGAKHKNYVHDWKE-VXGBXAGGSA-N 1 0 240.391 2.173 10 0 BEAERO CO[C@@]1(COc2ccc(C)cc2)CCC[NH2+]C1 ZINC000616578988 349128151 /nfs/dbraw/zinc/12/81/51/349128151.db2.gz NWWAASKNQBOMEC-AWEZNQCLSA-N 1 0 235.327 2.142 10 0 BEAERO Cc1csc(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC000053704293 179784405 /nfs/dbraw/zinc/78/44/05/179784405.db2.gz FWDXSMCTAPSUEE-VHSXEESVSA-N 1 0 225.361 2.015 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250315582 349169188 /nfs/dbraw/zinc/16/91/88/349169188.db2.gz MJZWVFDKYJOWKA-CRWXNKLISA-N 1 0 240.391 2.016 10 0 BEAERO [NH3+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000299805617 538030573 /nfs/dbraw/zinc/03/05/73/538030573.db2.gz XPYQFIOWYHKGOX-GFCCVEGCSA-N 1 0 205.301 2.239 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000252136713 349197109 /nfs/dbraw/zinc/19/71/09/349197109.db2.gz LPBMNWAKYGBEKI-FRRDWIJNSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)[C@@H](C)C1 ZINC000252165252 349197225 /nfs/dbraw/zinc/19/72/25/349197225.db2.gz QKDOUKUMDPSIQP-UHXUPSOCSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)OCCC[NH2+][C@@H]1CCC[C@H]1F ZINC000616581134 349262611 /nfs/dbraw/zinc/26/26/11/349262611.db2.gz HAPGHJQXJOZLNG-GHMZBOCLSA-N 1 0 203.301 2.282 10 0 BEAERO CCc1cc(NC(=O)[C@@H](C)[NH2+]C)ccc1C ZINC000300832739 349357275 /nfs/dbraw/zinc/35/72/75/349357275.db2.gz CRLAKKMIPGKDAS-SNVBAGLBSA-N 1 0 220.316 2.104 10 0 BEAERO CC(C)([NH3+])CCc1nc2c(cccc2F)[nH]1 ZINC000050196333 187436171 /nfs/dbraw/zinc/43/61/71/187436171.db2.gz HETDNFJRSIOOJM-UHFFFAOYSA-N 1 0 221.279 2.372 10 0 BEAERO [NH3+]Cc1nsc2c1c(F)c(F)cc2F ZINC000725254074 538042969 /nfs/dbraw/zinc/04/29/69/538042969.db2.gz FWAMDTKNWVWMMS-UHFFFAOYSA-N 1 0 218.203 2.172 10 0 BEAERO c1cn(CCCC[NH2+][C@@H]2CCCSC2)cn1 ZINC000061589386 349376162 /nfs/dbraw/zinc/37/61/62/349376162.db2.gz ATAXUWOMYMXLQM-GFCCVEGCSA-N 1 0 239.388 2.149 10 0 BEAERO Cc1nc(C)n([C@@H](C[NH2+]CC(C)C)C(C)C)n1 ZINC000052574577 179923398 /nfs/dbraw/zinc/92/33/98/179923398.db2.gz PRIJARYCZIBVLT-ZDUSSCGKSA-N 1 0 238.379 2.338 10 0 BEAERO OCc1cccc([C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000616587479 349431051 /nfs/dbraw/zinc/43/10/51/349431051.db2.gz MOYUZRMOTFKCBA-INIZCTEOSA-N 1 0 239.318 2.414 10 0 BEAERO COc1c(C)cc(Br)cc1CC[NH3+] ZINC000159313664 350007771 /nfs/dbraw/zinc/00/77/71/350007771.db2.gz FISHXCZZROMPMB-UHFFFAOYSA-N 1 0 244.132 2.267 10 0 BEAERO CC(C)N(CC1CC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070577880 350024883 /nfs/dbraw/zinc/02/48/83/350024883.db2.gz LEYRQNPNMLYJND-STQMWFEESA-N 1 0 238.375 2.151 10 0 BEAERO [NH3+]CC1([C@H](O)c2ccc(Cl)s2)CC1 ZINC000307296054 538046689 /nfs/dbraw/zinc/04/66/89/538046689.db2.gz QKIUMTFLSOUEGJ-MRVPVSSYSA-N 1 0 217.721 2.174 10 0 BEAERO CCCC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000144262846 350060463 /nfs/dbraw/zinc/06/04/63/350060463.db2.gz RARPLTMGSJWHSK-UHFFFAOYSA-N 1 0 217.312 2.358 10 0 BEAERO CN(C(=[NH2+])C(C)(C)C)[C@@H]1CCSC1 ZINC000062990189 350100985 /nfs/dbraw/zinc/10/09/85/350100985.db2.gz XLPVOIZWCCUTKB-MRVPVSSYSA-N 1 0 200.351 2.447 10 0 BEAERO CSCCCC[NH2+]Cc1c(Cl)cnn1C ZINC000131681553 191016683 /nfs/dbraw/zinc/01/66/83/191016683.db2.gz YFHULJMGADGJCO-UHFFFAOYSA-N 1 0 247.795 2.306 10 0 BEAERO Cc1nc(N2CCCCCC2)ncc1[C@H](C)[NH3+] ZINC000054962549 180001124 /nfs/dbraw/zinc/00/11/24/180001124.db2.gz IABDQCVEYOZTFA-JTQLQIEISA-N 1 0 234.347 2.185 10 0 BEAERO Cc1nc(N2CCSCC2)sc1[C@H](C)[NH3+] ZINC000054894765 180002937 /nfs/dbraw/zinc/00/29/37/180002937.db2.gz CEAGGHOFTZOVGK-ZETCQYMHSA-N 1 0 243.401 2.024 10 0 BEAERO Cc1nc(N2CC[C@H](C)C2)sc1[C@@H](C)[NH3+] ZINC000054896448 180003408 /nfs/dbraw/zinc/00/34/08/180003408.db2.gz IRNVJWZGZQMNRD-JGVFFNPUSA-N 1 0 225.361 2.317 10 0 BEAERO Cc1nc(N2CC[C@@H](C)C[C@@H]2C[NH3+])sc1C ZINC000235373101 180004190 /nfs/dbraw/zinc/00/41/90/180004190.db2.gz UORHBDITEQYPQN-LDYMZIIASA-N 1 0 239.388 2.324 10 0 BEAERO [NH2+]=C(NCc1nccs1)C1CCCC1 ZINC000062992437 350112441 /nfs/dbraw/zinc/11/24/41/350112441.db2.gz JRUXCQRZNCJJRY-UHFFFAOYSA-N 1 0 209.318 2.400 10 0 BEAERO Cc1nc(NC2CC[NH2+]CC2)cc(C(C)C)n1 ZINC000045950879 180016093 /nfs/dbraw/zinc/01/60/93/180016093.db2.gz SMAPAKUHQCWMFL-UHFFFAOYSA-N 1 0 234.347 2.072 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1Cl ZINC000309166697 350114160 /nfs/dbraw/zinc/11/41/60/350114160.db2.gz JHZBSNDJGKOMJY-CMPLNLGQSA-N 1 0 225.719 2.119 10 0 BEAERO Cc1nc([C@@H]([NH3+])Cc2cccnc2)cs1 ZINC000082366343 180040230 /nfs/dbraw/zinc/04/02/30/180040230.db2.gz ZHVRWXKFQWNSAN-JTQLQIEISA-N 1 0 219.313 2.089 10 0 BEAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cncc(F)c1 ZINC000131992012 191019993 /nfs/dbraw/zinc/01/99/93/191019993.db2.gz WRSVDYHXDPRKDM-ZWNOBZJWSA-N 1 0 238.306 2.440 10 0 BEAERO Cc1nc([C@H]([NH3+])Cc2ccncc2)cs1 ZINC000082366336 180052529 /nfs/dbraw/zinc/05/25/29/180052529.db2.gz FVAMLHPRSKHXOQ-SNVBAGLBSA-N 1 0 219.313 2.089 10 0 BEAERO Cc1nc([C@H]([NH3+])CCc2ccccc2)no1 ZINC000061625801 180052697 /nfs/dbraw/zinc/05/26/97/180052697.db2.gz AMBRZCOQELEVTD-LLVKDONJSA-N 1 0 217.272 2.011 10 0 BEAERO Cc1nc([C@H]2CCC[NH2+]2)nc2c1CCCC2 ZINC000082536273 180055042 /nfs/dbraw/zinc/05/50/42/180055042.db2.gz YPSYUPFRXSLRDT-GFCCVEGCSA-N 1 0 217.316 2.088 10 0 BEAERO Cc1nc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)cs1 ZINC000096962510 180055206 /nfs/dbraw/zinc/05/52/06/180055206.db2.gz TVEBAXSIHJJOOZ-WCQYABFASA-N 1 0 248.351 2.055 10 0 BEAERO Cc1nc2c(Cl)cccn2c1[C@H](C)[NH3+] ZINC000082695427 180063370 /nfs/dbraw/zinc/06/33/70/180063370.db2.gz DNPNTPRCZXYCLE-LURJTMIESA-N 1 0 209.680 2.316 10 0 BEAERO Cc1[nH+]c2c(C)cc(Br)cn2c1N ZINC000036244304 180064222 /nfs/dbraw/zinc/06/42/22/180064222.db2.gz MKBAONBEPYDQJZ-UHFFFAOYSA-N 1 0 240.104 2.296 10 0 BEAERO Cc1nc2c(Cl)cccn2c1[C@@H](C)[NH3+] ZINC000082695426 180064857 /nfs/dbraw/zinc/06/48/57/180064857.db2.gz DNPNTPRCZXYCLE-ZCFIWIBFSA-N 1 0 209.680 2.316 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000132520000 191033456 /nfs/dbraw/zinc/03/34/56/191033456.db2.gz SFJDCKIOEJWCOY-WDEREUQCSA-N 1 0 239.388 2.278 10 0 BEAERO CCc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)o1 ZINC000132573982 191033813 /nfs/dbraw/zinc/03/38/13/191033813.db2.gz GKZPVOWZSOTYOO-QLJPJBMISA-N 1 0 243.372 2.089 10 0 BEAERO C[C@H](CC[NH2+]Cc1ccccc1F)[S@](C)=O ZINC000132594401 191034018 /nfs/dbraw/zinc/03/40/18/191034018.db2.gz LHKTYJKHGABGND-QLJPJBMISA-N 1 0 243.347 2.072 10 0 BEAERO CSc1nnc(S[C@@H]2CCC[C@H]2[NH3+])s1 ZINC000228037314 350130227 /nfs/dbraw/zinc/13/02/27/350130227.db2.gz XPQWZEALFKKZFA-PHDIDXHHSA-N 1 0 247.414 2.232 10 0 BEAERO CSc1nnc(S[C@H]2CCC[C@H]2[NH3+])s1 ZINC000228037326 350130254 /nfs/dbraw/zinc/13/02/54/350130254.db2.gz XPQWZEALFKKZFA-RITPCOANSA-N 1 0 247.414 2.232 10 0 BEAERO Cc1ccccc1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000132553093 191034375 /nfs/dbraw/zinc/03/43/75/191034375.db2.gz VAUIIOWUCXVFGM-LRDDRELGSA-N 1 0 239.384 2.242 10 0 BEAERO Cc1nc2cc(C[NH3+])ccc2n1CC(C)C ZINC000062214010 180077559 /nfs/dbraw/zinc/07/75/59/180077559.db2.gz QCFYGQQBKMDOQI-UHFFFAOYSA-N 1 0 217.316 2.459 10 0 BEAERO Cc1nc2cc(C[NH3+])ccc2n1CC(F)(F)F ZINC000328579497 180077574 /nfs/dbraw/zinc/07/75/74/180077574.db2.gz LNHVQJJPQMUVFS-UHFFFAOYSA-N 1 0 243.232 2.366 10 0 BEAERO C[C@H](CC[NH2+]C1CCCCC1)[S@@](C)=O ZINC000132602245 191034732 /nfs/dbraw/zinc/03/47/32/191034732.db2.gz NDZIMPXSHXDJQR-YGRLFVJLSA-N 1 0 217.378 2.066 10 0 BEAERO Cc1nc2cc(NC3CC[NH2+]CC3)ccc2o1 ZINC000038040719 180082827 /nfs/dbraw/zinc/08/28/27/180082827.db2.gz IQVQXGFNTQWIRI-UHFFFAOYSA-N 1 0 231.299 2.300 10 0 BEAERO Fc1ccc(F)c(COCC2CC[NH2+]CC2)c1 ZINC000051815134 350136403 /nfs/dbraw/zinc/13/64/03/350136403.db2.gz UREMVHATDMJOFE-UHFFFAOYSA-N 1 0 241.281 2.481 10 0 BEAERO Cc1nc2ccc(CCC[NH3+])cc2s1 ZINC000039105519 180090523 /nfs/dbraw/zinc/09/05/23/180090523.db2.gz WEYXHDMURCZTAX-UHFFFAOYSA-N 1 0 206.314 2.496 10 0 BEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)C ZINC000132262885 191030979 /nfs/dbraw/zinc/03/09/79/191030979.db2.gz NWDKBZFFZWWPEH-NSHDSACASA-N 1 0 243.395 2.060 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC(C)(C)C ZINC000132263022 191031095 /nfs/dbraw/zinc/03/10/95/191031095.db2.gz NWDKBZFFZWWPEH-LLVKDONJSA-N 1 0 243.395 2.060 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC(C1CC1)C1CC1 ZINC000304228821 350146102 /nfs/dbraw/zinc/14/61/02/350146102.db2.gz JZJJGSPMYOEQJM-CYBMUJFWSA-N 1 0 225.376 2.419 10 0 BEAERO COCCC(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304258441 350151460 /nfs/dbraw/zinc/15/14/60/350151460.db2.gz SPMXVASZICNHIY-LLVKDONJSA-N 1 0 231.380 2.046 10 0 BEAERO OCCC1(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000133077744 191036774 /nfs/dbraw/zinc/03/67/74/191036774.db2.gz UBVQWPBVJXURKL-LBPRGKRZSA-N 1 0 209.333 2.095 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CC1)c1ccccc1 ZINC000133130787 191037661 /nfs/dbraw/zinc/03/76/61/191037661.db2.gz OJIHLHMLCXGILR-LBPRGKRZSA-N 1 0 219.328 2.500 10 0 BEAERO CSCCCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000133605516 191041896 /nfs/dbraw/zinc/04/18/96/191041896.db2.gz XNSMVUABDHZBHI-WDEREUQCSA-N 1 0 217.378 2.144 10 0 BEAERO Cc1c(Cl)cccc1[C@H](O)[C@@H](C)C[NH3+] ZINC000220113384 350163644 /nfs/dbraw/zinc/16/36/44/350163644.db2.gz BDJNBMRRWJCGPZ-WRWORJQWSA-N 1 0 213.708 2.277 10 0 BEAERO COCC[C@H](C)[NH2+]CCCCSC ZINC000133711125 191042277 /nfs/dbraw/zinc/04/22/77/191042277.db2.gz WSWJFGNQMQHVGQ-JTQLQIEISA-N 1 0 205.367 2.144 10 0 BEAERO CSCCCC[NH2+][C@H](C)c1cnccn1 ZINC000133638860 191043001 /nfs/dbraw/zinc/04/30/01/191043001.db2.gz RLQBFEDZXXASTC-SNVBAGLBSA-N 1 0 225.361 2.270 10 0 BEAERO Cc1ccc(C[NH2+]C[C@H](O)C(C)(C)C)nc1C ZINC000314105173 350167046 /nfs/dbraw/zinc/16/70/46/350167046.db2.gz FHHHHWXAIUKJIM-ZDUSSCGKSA-N 1 0 236.359 2.195 10 0 BEAERO Cc1cnc(S[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000095068728 191054371 /nfs/dbraw/zinc/05/43/71/191054371.db2.gz DKULFEVFMUADSQ-MRVPVSSYSA-N 1 0 243.763 2.283 10 0 BEAERO CSc1nccc(S[C@@H]2CCC[NH2+]C2)n1 ZINC000095071806 191054476 /nfs/dbraw/zinc/05/44/76/191054476.db2.gz AVRPBCVKTJGGJH-MRVPVSSYSA-N 1 0 241.385 2.043 10 0 BEAERO Cc1ncc(C[NH2+]Cc2ccc[nH]2)s1 ZINC000051789514 180155458 /nfs/dbraw/zinc/15/54/58/180155458.db2.gz RSWZIELHJIMDQN-UHFFFAOYSA-N 1 0 207.302 2.069 10 0 BEAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@@H]2CO)s1 ZINC000152331097 180157906 /nfs/dbraw/zinc/15/79/06/180157906.db2.gz FLVOIHYEGWSQFE-PWSUYJOCSA-N 1 0 240.372 2.092 10 0 BEAERO Cn1nccc1-c1oc(CC2CC2)cc1C[NH3+] ZINC000725257871 538069757 /nfs/dbraw/zinc/06/97/57/538069757.db2.gz YWHDOGBDSUDPOE-UHFFFAOYSA-N 1 0 231.299 2.091 10 0 BEAERO CCC[C@](C[NH3+])(c1ccccc1)[C@H](C)CO ZINC000309220445 350203242 /nfs/dbraw/zinc/20/32/42/350203242.db2.gz OITZMAMFOBDLDE-TZMCWYRMSA-N 1 0 221.344 2.312 10 0 BEAERO Cc1nccc(NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000097829692 180200268 /nfs/dbraw/zinc/20/02/68/180200268.db2.gz LGTRAXQSBBLIQA-UHFFFAOYSA-N 1 0 240.310 2.000 10 0 BEAERO Cc1nccc(C[NH2+]C2(C(C)C)CC2)n1 ZINC000339502978 180187211 /nfs/dbraw/zinc/18/72/11/180187211.db2.gz WORLJRIPYGMTDF-UHFFFAOYSA-N 1 0 205.305 2.063 10 0 BEAERO Cc1nccc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000104236166 180189178 /nfs/dbraw/zinc/18/91/78/180189178.db2.gz WJFJSYVEOQXVCD-YNEHKIRRSA-N 1 0 231.343 2.311 10 0 BEAERO C[C@H]([NH3+])Cc1c(F)cccc1Br ZINC000221847019 350224144 /nfs/dbraw/zinc/22/41/44/350224144.db2.gz RTOFOLGOYRWMCW-LURJTMIESA-N 1 0 232.096 2.478 10 0 BEAERO CCC(C)(C)c1nc2n(c1C[NH3+])CCCC2 ZINC000725259746 538080545 /nfs/dbraw/zinc/08/05/45/538080545.db2.gz HQIITGYBPKENRG-UHFFFAOYSA-N 1 0 221.348 2.366 10 0 BEAERO CCC(C)(C)c1nc2ccccn2c1C[NH3+] ZINC000725259787 538081021 /nfs/dbraw/zinc/08/10/21/538081021.db2.gz ISNSNNVYVQKWFA-UHFFFAOYSA-N 1 0 217.316 2.481 10 0 BEAERO [NH3+][C@H]1C=Cc2c(ccn2Cc2ccccc2)C1 ZINC000222897961 350255254 /nfs/dbraw/zinc/25/52/54/350255254.db2.gz RPEFHEQMWFCSCX-AWEZNQCLSA-N 1 0 224.307 2.433 10 0 BEAERO C=Cc1cncc(C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000725262152 538087875 /nfs/dbraw/zinc/08/78/75/538087875.db2.gz YVYDCTNSRYGEPP-NSHDSACASA-N 1 0 217.316 2.004 10 0 BEAERO COC1(OC)C[C@H](C)C[C@H](C)[C@H]1CC[NH3+] ZINC000725261711 538087312 /nfs/dbraw/zinc/08/73/12/538087312.db2.gz DFIDKDFLQWADKD-OUAUKWLOSA-N 1 0 215.337 2.007 10 0 BEAERO CC[C@H]1CCC(OC)(OC)[C@H](CC[NH3+])C1 ZINC000725261953 538087794 /nfs/dbraw/zinc/08/77/94/538087794.db2.gz OEPGXXMPNJEGSO-WDEREUQCSA-N 1 0 215.337 2.151 10 0 BEAERO CCCC[C@H](CC)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000336642751 350275819 /nfs/dbraw/zinc/27/58/19/350275819.db2.gz ABAINXZLJVSANI-WOPDTQHZSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1nccn1[C@H](C[NH3+])c1ccccc1Cl ZINC000043053074 180272098 /nfs/dbraw/zinc/27/20/98/180272098.db2.gz BRJVCEVEULDMBA-GFCCVEGCSA-N 1 0 235.718 2.393 10 0 BEAERO C[C@@H]([NH3+])CS[C@@H]1CC(C)(C)OC1(C)C ZINC000167893057 350297569 /nfs/dbraw/zinc/29/75/69/350297569.db2.gz MBBSHLJBDCTSFU-RKDXNWHRSA-N 1 0 217.378 2.413 10 0 BEAERO Cc1ncn([C@@H]([C@H](C)[NH3+])C(C)(C)C)c1C ZINC000051925567 180289975 /nfs/dbraw/zinc/28/99/75/180289975.db2.gz DVYJMLBASGHKHK-KWQFWETISA-N 1 0 209.337 2.434 10 0 BEAERO C[C@@]([NH3+])(CO)c1ccc(Cl)c(Cl)c1 ZINC000038124604 350307225 /nfs/dbraw/zinc/30/72/25/350307225.db2.gz PXFDDQFAVXOSBL-SECBINFHSA-N 1 0 220.099 2.160 10 0 BEAERO Cc1nccnc1OCCC[C@H]1CCCC[NH2+]1 ZINC000095069471 180280553 /nfs/dbraw/zinc/28/05/53/180280553.db2.gz NPXMNJMKQRPCGC-GFCCVEGCSA-N 1 0 235.331 2.086 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000219114418 180283688 /nfs/dbraw/zinc/28/36/88/180283688.db2.gz KNOXSZSTUALYKZ-NWDGAFQWSA-N 1 0 235.331 2.005 10 0 BEAERO Cc1ncn(-c2cc(Cl)ccc2C(N)=[NH2+])c1C ZINC000062789042 180284911 /nfs/dbraw/zinc/28/49/11/180284911.db2.gz LTCFYOVQTBHOAD-UHFFFAOYSA-N 1 0 248.717 2.427 10 0 BEAERO Cc1ncn(-c2ccc(C(N)=[NH2+])cc2Cl)c1C ZINC000062794382 180285578 /nfs/dbraw/zinc/28/55/78/180285578.db2.gz MLAWIRXZZVVMPW-UHFFFAOYSA-N 1 0 248.717 2.427 10 0 BEAERO Cc1ncn(CC[C@@H]2CCCC[NH2+]2)c1C ZINC000051927089 180287148 /nfs/dbraw/zinc/28/71/48/180287148.db2.gz IFNDBKBVIOLAOR-LBPRGKRZSA-N 1 0 207.321 2.032 10 0 BEAERO COC(=O)C1CC[NH+]([C@@H]2CC[C@@H]3CC[C@@H]32)CC1 ZINC000725263962 538090479 /nfs/dbraw/zinc/09/04/79/538090479.db2.gz XSSQWZWWEJJBNO-WCFLWFBJSA-N 1 0 237.343 2.060 10 0 BEAERO CC(C)NC(=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000725264154 538090701 /nfs/dbraw/zinc/09/07/01/538090701.db2.gz MEUAAZHUXXWDQH-UHFFFAOYSA-N 1 0 246.354 2.292 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000079341862 350359640 /nfs/dbraw/zinc/35/96/40/350359640.db2.gz GDUUUEONYQNZRN-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO Cc1ncsc1CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000074327537 180309386 /nfs/dbraw/zinc/30/93/86/180309386.db2.gz BSYGMYOIJNVOAV-NXEZZACHSA-N 1 0 240.372 2.103 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000250960340 180327098 /nfs/dbraw/zinc/32/70/98/180327098.db2.gz OXOKAISNNKVSTK-INTQDDNPSA-N 1 0 240.372 2.263 10 0 BEAERO Cc1nn(-c2ccccc2C[NH3+])c(C)c1C ZINC000040728664 180331316 /nfs/dbraw/zinc/33/13/16/180331316.db2.gz IRHMPAWEYNHPFJ-UHFFFAOYSA-N 1 0 215.300 2.256 10 0 BEAERO Cc1ccccc1[C@@H](CCC[NH3+])C(=O)NC(C)C ZINC000076634559 187445721 /nfs/dbraw/zinc/44/57/21/187445721.db2.gz JIBRWYMPEPBTKD-CQSZACIVSA-N 1 0 248.370 2.342 10 0 BEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C1CCC1 ZINC000052208938 180347610 /nfs/dbraw/zinc/34/76/10/180347610.db2.gz GLYPPDXGFOXGOT-MRVPVSSYSA-N 1 0 207.321 2.240 10 0 BEAERO Cc1nn(C)c(N(C)[C@@H](C)CC(C)C)c1C[NH3+] ZINC000042588506 180353886 /nfs/dbraw/zinc/35/38/86/180353886.db2.gz XFRQLPLJAMVEKV-JTQLQIEISA-N 1 0 238.379 2.058 10 0 BEAERO Cc1nn(C)c(O[C@H]2CCC[C@@H](C)C2)c1C[NH3+] ZINC000020517791 180361841 /nfs/dbraw/zinc/36/18/41/180361841.db2.gz HCRMRFJNACOVEC-KOLCDFICSA-N 1 0 237.347 2.145 10 0 BEAERO C[C@@H]1C[NH+]([C@H]2CCCCC2=O)C[C@@H](C)S1 ZINC000226672465 350447084 /nfs/dbraw/zinc/44/70/84/350447084.db2.gz ADQRJWPNYLXASP-MXWKQRLJSA-N 1 0 227.373 2.324 10 0 BEAERO [NH3+][C@H]1c2ccccc2OCc2ncccc21 ZINC000034078189 350463865 /nfs/dbraw/zinc/46/38/65/350463865.db2.gz JNMWVKAEZFXVBQ-CYBMUJFWSA-N 1 0 212.252 2.022 10 0 BEAERO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cncnc2)C1 ZINC000127772774 490558208 /nfs/dbraw/zinc/55/82/08/490558208.db2.gz QPTGELZUHGPEKY-GHMZBOCLSA-N 1 0 205.305 2.097 10 0 BEAERO C[C@H](Oc1ccccc1)c1cc(C[NH3+])ncn1 ZINC000409436509 350479793 /nfs/dbraw/zinc/47/97/93/350479793.db2.gz CURSELSIULOERU-JTQLQIEISA-N 1 0 229.283 2.075 10 0 BEAERO Cc1cccc([S@](=O)CC2CC[NH2+]CC2)c1 ZINC000083308817 187450825 /nfs/dbraw/zinc/45/08/25/187450825.db2.gz FQSNSVBIXCAVJC-INIZCTEOSA-N 1 0 237.368 2.102 10 0 BEAERO Cc1nn([C@@H](C[NH3+])c2cccs2)c(C)c1C ZINC000043107361 180392198 /nfs/dbraw/zinc/39/21/98/180392198.db2.gz VHGNDJHJODLJAN-NSHDSACASA-N 1 0 235.356 2.418 10 0 BEAERO Cc1nn([C@H]2CCC[C@H]2C[NH3+])c(C)c1C ZINC000040729120 180393473 /nfs/dbraw/zinc/39/34/73/180393473.db2.gz GFBLZJUMMOGNOW-RYUDHWBXSA-N 1 0 207.321 2.108 10 0 BEAERO COCCOCC[NH2+]CC1CCC(C)CC1 ZINC000070027255 350496331 /nfs/dbraw/zinc/49/63/31/350496331.db2.gz GFTZZVXIIOKRGN-UHFFFAOYSA-N 1 0 229.364 2.065 10 0 BEAERO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000227516914 350498869 /nfs/dbraw/zinc/49/88/69/350498869.db2.gz ANJQABAFULXYAB-OPRDCNLKSA-N 1 0 228.336 2.040 10 0 BEAERO Fc1ccc(-c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000725266085 538094302 /nfs/dbraw/zinc/09/43/02/538094302.db2.gz LDJYINKGRMTCMX-UHFFFAOYSA-N 1 0 246.289 2.009 10 0 BEAERO Cc1nn(CC[NH2+]Cc2ccoc2)c(C)c1C ZINC000053540391 180388933 /nfs/dbraw/zinc/38/89/33/180388933.db2.gz ANCIHDHPICLXFD-UHFFFAOYSA-N 1 0 233.315 2.191 10 0 BEAERO Cc1nnc(C(C)(C)[NH3+])n1C1CCCCC1 ZINC000042039262 180399079 /nfs/dbraw/zinc/39/90/79/180399079.db2.gz DTQCIWSSVZJHIK-UHFFFAOYSA-N 1 0 222.336 2.286 10 0 BEAERO Cc1nnc(C[NH2+]C(C)C)n1C1CCCC1 ZINC000042038764 180412409 /nfs/dbraw/zinc/41/24/09/180412409.db2.gz OBWNEJCNKIYRQA-UHFFFAOYSA-N 1 0 222.336 2.200 10 0 BEAERO Cc1cccc(C)c1NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335275716 133821565 /nfs/dbraw/zinc/82/15/65/133821565.db2.gz CCKAUYGCFBSXCA-NEPJUHHUSA-N 1 0 247.342 2.114 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2ccc(N)cc2)CC1 ZINC000616593736 350584270 /nfs/dbraw/zinc/58/42/70/350584270.db2.gz KYSPAMASDONYJQ-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO Cc1nnc(SC[C@@H]2CCCC[NH2+]2)s1 ZINC000043495421 180438642 /nfs/dbraw/zinc/43/86/42/180438642.db2.gz PXTSRCHAJHIMEL-QMMMGPOBSA-N 1 0 229.374 2.081 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2ccccc2F)CC1 ZINC000616594104 350593106 /nfs/dbraw/zinc/59/31/06/350593106.db2.gz OHXFXMZZECTCJX-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CNc1cccc([C@H]2CC[N@H+](C)CCO2)c1 ZINC000616594095 350593418 /nfs/dbraw/zinc/59/34/18/350593418.db2.gz NYXRSDNSNYJOAM-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccnc2N)CC1 ZINC000616594806 350596872 /nfs/dbraw/zinc/59/68/72/350596872.db2.gz HQYLMVDUQBYNKP-GFCCVEGCSA-N 1 0 249.358 2.226 10 0 BEAERO COCCC[NH2+]CCc1ccccc1COC ZINC000725266736 538096730 /nfs/dbraw/zinc/09/67/30/538096730.db2.gz ASUFNZZATRNZBF-UHFFFAOYSA-N 1 0 237.343 2.002 10 0 BEAERO COCC[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@H]1C ZINC000725266792 538096831 /nfs/dbraw/zinc/09/68/31/538096831.db2.gz DUUKKNRHFHCMGK-MGPQQGTHSA-N 1 0 243.391 2.047 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2cccc3ncccc32)C1 ZINC000616596792 350637635 /nfs/dbraw/zinc/63/76/35/350637635.db2.gz BZFFTNGXYLYELM-LBPRGKRZSA-N 1 0 242.322 2.280 10 0 BEAERO CC(C)(C)N1CCOCC[C@H]1C(F)F ZINC000616597153 350641758 /nfs/dbraw/zinc/64/17/58/350641758.db2.gz BOUPXYRDSSJKQL-QMMMGPOBSA-N 1 0 207.264 2.141 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@H](C)c1cc(F)cc(F)c1 ZINC000725266977 538097820 /nfs/dbraw/zinc/09/78/20/538097820.db2.gz OOCBSCWJFFUUPK-UWVGGRQHSA-N 1 0 243.297 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cccnn1 ZINC000616597051 350636200 /nfs/dbraw/zinc/63/62/00/350636200.db2.gz LSBJGBZHUMZPJI-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2cccc3cccnc32)C1 ZINC000616596759 350637156 /nfs/dbraw/zinc/63/71/56/350637156.db2.gz BHUQTZOCYGFLFE-ZDUSSCGKSA-N 1 0 242.322 2.280 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccccc1CO ZINC000616597707 350653425 /nfs/dbraw/zinc/65/34/25/350653425.db2.gz IUDRSGHCEYPPNU-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CNC(=[NH2+])Nc1cccc(Br)c1C ZINC000232253642 350656559 /nfs/dbraw/zinc/65/65/59/350656559.db2.gz WBRDKKUAQJFMMB-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@H](C)CCc1ccccc1 ZINC000725267343 538098338 /nfs/dbraw/zinc/09/83/38/538098338.db2.gz ZRFLZIUMOHGJPN-HIFRSBDPSA-N 1 0 235.371 2.473 10 0 BEAERO CCC(C)(C)[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000725267507 538099098 /nfs/dbraw/zinc/09/90/98/538099098.db2.gz MBUIWNBXOYTJFM-ZDUSSCGKSA-N 1 0 243.391 2.190 10 0 BEAERO COc1ccc(C(C)(C)[C@@H](C)[NH3+])cc1OC ZINC000084422370 350750513 /nfs/dbraw/zinc/75/05/13/350750513.db2.gz LNOSRCMEHCUZEK-SECBINFHSA-N 1 0 223.316 2.329 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccncc1 ZINC000616599552 350751328 /nfs/dbraw/zinc/75/13/28/350751328.db2.gz RGKWLLYAEVTYRX-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccccc1OC ZINC000616599854 350761662 /nfs/dbraw/zinc/76/16/62/350761662.db2.gz XZCSXIOAOGZGCF-CYBMUJFWSA-N 1 0 235.327 2.479 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccnnc1 ZINC000616614037 350820789 /nfs/dbraw/zinc/82/07/89/350820789.db2.gz GMXBVYCFHADBIJ-GFCCVEGCSA-N 1 0 205.305 2.412 10 0 BEAERO Nc1ccc2c(c1)C[C@H](O)[C@H](C1CCCC1)N2 ZINC000725268105 538099477 /nfs/dbraw/zinc/09/94/77/538099477.db2.gz KAUBTIRPGZGXKL-KBPBESRZSA-N 1 0 232.327 2.157 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2c[nH]nc2N)CC1 ZINC000616600307 350779437 /nfs/dbraw/zinc/77/94/37/350779437.db2.gz BQCIDGJTOXGJMC-SNVBAGLBSA-N 1 0 236.363 2.190 10 0 BEAERO CNc1ccc([C@H]2COCCC[N@@H+]2C)cc1 ZINC000616600026 350779470 /nfs/dbraw/zinc/77/94/70/350779470.db2.gz XYYRCWOYDYYGQV-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1ncccc1Br ZINC000063025651 350780533 /nfs/dbraw/zinc/78/05/33/350780533.db2.gz JYMQPSDLDDYTNW-VIFPVBQESA-N 1 0 243.148 2.370 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](n2ccc(N)n2)CC1 ZINC000616601157 350781171 /nfs/dbraw/zinc/78/11/71/350781171.db2.gz LENHBGACMOSPQG-NSHDSACASA-N 1 0 236.363 2.121 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cn[nH]c2)CC1 ZINC000616600939 350781588 /nfs/dbraw/zinc/78/15/88/350781588.db2.gz JEZOKGBAOGAKFR-LLVKDONJSA-N 1 0 207.321 2.388 10 0 BEAERO c1cc2ccc([C@H]3CCCC[NH2+]C3)cc2nn1 ZINC000616601555 350782591 /nfs/dbraw/zinc/78/25/91/350782591.db2.gz CSSWCUHTHJFBQD-ZDUSSCGKSA-N 1 0 227.311 2.487 10 0 BEAERO CCN1CC[NH2+][C@H](c2cccc3ccncc32)C1 ZINC000616601717 350786870 /nfs/dbraw/zinc/78/68/70/350786870.db2.gz IOYXLMAMSJEWJQ-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO OCc1cccc([C@@H]2CCC[NH2+]CC2)c1 ZINC000616602650 350787457 /nfs/dbraw/zinc/78/74/57/350787457.db2.gz PGBQVIUJTPKZIU-GFCCVEGCSA-N 1 0 205.301 2.036 10 0 BEAERO OCCc1cccc([C@H]2CCC[NH2+]CC2)c1 ZINC000616603064 350788778 /nfs/dbraw/zinc/78/87/78/350788778.db2.gz VXACFTAZCTYEJP-ZDUSSCGKSA-N 1 0 219.328 2.079 10 0 BEAERO COc1ccc([C@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616603004 350789257 /nfs/dbraw/zinc/78/92/57/350789257.db2.gz AGMSOUPXMMZCTK-AWEZNQCLSA-N 1 0 249.354 2.257 10 0 BEAERO COc1cccc([C@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616603206 350789355 /nfs/dbraw/zinc/78/93/55/350789355.db2.gz CRJNPLWLAYLQHQ-AWEZNQCLSA-N 1 0 249.354 2.257 10 0 BEAERO c1cc2ccc([C@@H]3CCC[NH2+]CC3)cc2nn1 ZINC000616603675 350789786 /nfs/dbraw/zinc/78/97/86/350789786.db2.gz UFXJBUKNHFKZSJ-LLVKDONJSA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cncnc2)CC1 ZINC000616602573 350791720 /nfs/dbraw/zinc/79/17/20/350791720.db2.gz RDMHKMJPZLTLAE-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO OCC[N@@H+]1CCC[C@@H](c2cccc(F)c2)CC1 ZINC000616602555 350791732 /nfs/dbraw/zinc/79/17/32/350791732.db2.gz ZWWCOTKXJBTTDD-GFCCVEGCSA-N 1 0 237.318 2.388 10 0 BEAERO c1ccc2c(c1)nncc2[C@H]1CCCC[NH2+]C1 ZINC000616602587 350791769 /nfs/dbraw/zinc/79/17/69/350791769.db2.gz MQKXGILPNQEFBA-NSHDSACASA-N 1 0 227.311 2.487 10 0 BEAERO [NH3+]CCN1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000616604515 350793593 /nfs/dbraw/zinc/79/35/93/350793593.db2.gz QRSXATUMSMCKEF-ZDUSSCGKSA-N 1 0 236.334 2.354 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cnno2)C1 ZINC000616605250 350794202 /nfs/dbraw/zinc/79/42/02/350794202.db2.gz WLYHQXVHCYKDKL-JTQLQIEISA-N 1 0 223.320 2.438 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccc(N)nc2)C1 ZINC000616605645 350794943 /nfs/dbraw/zinc/79/49/43/350794943.db2.gz SEMRBCFKZGZWHM-CYBMUJFWSA-N 1 0 233.359 2.472 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1cccc2ncccc21 ZINC000616603971 350795423 /nfs/dbraw/zinc/79/54/23/350795423.db2.gz JCXAYAJREIMBRI-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2ccc(N)nc2)C1 ZINC000616603988 350795838 /nfs/dbraw/zinc/79/58/38/350795838.db2.gz YQQCZBKHOJHBEK-LBPRGKRZSA-N 1 0 219.332 2.084 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2cn[nH]c2)C1 ZINC000616603882 350795898 /nfs/dbraw/zinc/79/58/98/350795898.db2.gz JGIPQDHCBYXRGP-NSHDSACASA-N 1 0 207.321 2.388 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616606438 350797470 /nfs/dbraw/zinc/79/74/70/350797470.db2.gz GUINBFPEMKNTSB-LLVKDONJSA-N 1 0 242.363 2.384 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616607589 350800933 /nfs/dbraw/zinc/80/09/33/350800933.db2.gz JZRQWJGNTSYGEJ-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO C[N@@H+]1CCC[C@H]1c1ccc2ccnnc2c1 ZINC000616607939 350802081 /nfs/dbraw/zinc/80/20/81/350802081.db2.gz YTPSYNBCMVJARQ-ZDUSSCGKSA-N 1 0 213.284 2.397 10 0 BEAERO CC[N@@H+]1CCC[C@H]1c1ccccc1CO ZINC000616607971 350802928 /nfs/dbraw/zinc/80/29/28/350802928.db2.gz ZTCGEBIFIJZZSZ-ZDUSSCGKSA-N 1 0 205.301 2.336 10 0 BEAERO C[N@@H+]1CC[C@H](c2cccc3ccnnc32)C1 ZINC000616610209 350808419 /nfs/dbraw/zinc/80/84/19/350808419.db2.gz KWQPWUIWYBPCMN-NSHDSACASA-N 1 0 213.284 2.049 10 0 BEAERO C[C@H]1SCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000306674573 350823990 /nfs/dbraw/zinc/82/39/90/350823990.db2.gz QRJNVURLHJCFDL-HTRCEHHLSA-N 1 0 207.289 2.268 10 0 BEAERO CCOC(=O)C1CC[NH+](C(C)(C)C)CC1 ZINC000167939218 350811446 /nfs/dbraw/zinc/81/14/46/350811446.db2.gz VFGOJHBBFHENDN-UHFFFAOYSA-N 1 0 213.321 2.060 10 0 BEAERO CC[N@@H+]1CCCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616614175 350829311 /nfs/dbraw/zinc/82/93/11/350829311.db2.gz KAYABURANSERKH-CYBMUJFWSA-N 1 0 232.327 2.332 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cccc(N)n2)C1 ZINC000616614324 350831782 /nfs/dbraw/zinc/83/17/82/350831782.db2.gz HQFSRGFFJSHVQA-SNVBAGLBSA-N 1 0 219.332 2.252 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2ccnc3ccccc32)C1 ZINC000616614550 350835522 /nfs/dbraw/zinc/83/55/22/350835522.db2.gz OUJZGSMVLFJHPJ-GFCCVEGCSA-N 1 0 242.322 2.016 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cccnc2N)C1 ZINC000616614570 350835537 /nfs/dbraw/zinc/83/55/37/350835537.db2.gz PSYVARKYUNAGJU-SNVBAGLBSA-N 1 0 219.332 2.252 10 0 BEAERO CSC(C)(C)[C@H]([NH3+])c1ccncc1F ZINC000306681424 350838033 /nfs/dbraw/zinc/83/80/33/350838033.db2.gz OBXPUNJTRRQCTB-SECBINFHSA-N 1 0 214.309 2.362 10 0 BEAERO COc1ccc([C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616614900 350842124 /nfs/dbraw/zinc/84/21/24/350842124.db2.gz YIHWWUDOBOELJJ-CQSZACIVSA-N 1 0 235.327 2.215 10 0 BEAERO Cc1cc(C(=O)[C@H]2CCC[NH2+][C@H]2C)sn1 ZINC000306684320 350842192 /nfs/dbraw/zinc/84/21/92/350842192.db2.gz ZOKSEDYWQKYWRV-IUCAKERBSA-N 1 0 224.329 2.022 10 0 BEAERO [NH3+][C@@H]1CCN(c2c(F)cccc2Cl)C1 ZINC000159524713 350846665 /nfs/dbraw/zinc/84/66/65/350846665.db2.gz KQUZZPQFCWPQLM-SSDOTTSWSA-N 1 0 214.671 2.017 10 0 BEAERO CCOC(=O)N1CCCC[C@H]1c1ccnc(N)c1 ZINC000616615484 350847849 /nfs/dbraw/zinc/84/78/49/350847849.db2.gz NBJBYWTWKASFBT-NSHDSACASA-N 1 0 249.314 2.178 10 0 BEAERO C[N@@H+]1CCCC[C@H]1c1ccc(CCO)cc1 ZINC000616615818 350851194 /nfs/dbraw/zinc/85/11/94/350851194.db2.gz UJJDESXKPXUDKV-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO [NH3+]Cc1ccc(Br)cc1N1CCC1 ZINC000306706414 350853376 /nfs/dbraw/zinc/85/33/76/350853376.db2.gz KDFRDBKXFVBMBJ-UHFFFAOYSA-N 1 0 241.132 2.118 10 0 BEAERO Fc1ccc(C2=[NH+]CCCN2)c(Cl)c1 ZINC000306708079 350856862 /nfs/dbraw/zinc/85/68/62/350856862.db2.gz NPTPJOGHKHNYJF-UHFFFAOYSA-N 1 0 212.655 2.219 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccccc2N)C1 ZINC000616616944 350858357 /nfs/dbraw/zinc/85/83/57/350858357.db2.gz ALJMIETTZYAZLK-LLVKDONJSA-N 1 0 204.317 2.468 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616617303 350863612 /nfs/dbraw/zinc/86/36/12/350863612.db2.gz MWZVQRWICNGAGH-ZDUSSCGKSA-N 1 0 227.311 2.439 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2nccc3ccccc32)C1 ZINC000616614176 350828980 /nfs/dbraw/zinc/82/89/80/350828980.db2.gz GLZPZERKFLEZRW-CYBMUJFWSA-N 1 0 242.322 2.016 10 0 BEAERO CNC(=[NH2+])Nc1ccc(F)cc1Br ZINC000052069815 350901679 /nfs/dbraw/zinc/90/16/79/350901679.db2.gz AZLUWGHJIZKVBN-UHFFFAOYSA-N 1 0 246.083 2.154 10 0 BEAERO CNC(=[NH2+])Nc1ccc(Cl)c(F)c1 ZINC000052091767 350917518 /nfs/dbraw/zinc/91/75/18/350917518.db2.gz KUYGWOXTGZJHCK-UHFFFAOYSA-N 1 0 201.632 2.045 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccc(N)nc2)C1 ZINC000616618522 350917552 /nfs/dbraw/zinc/91/75/52/350917552.db2.gz YLZLMSPZYMFUBY-LBPRGKRZSA-N 1 0 219.332 2.082 10 0 BEAERO c1cc2ccc([C@H]3CCC[NH2+]C3)cc2nn1 ZINC000616618955 350925673 /nfs/dbraw/zinc/92/56/73/350925673.db2.gz ZTQFKWPVCHJVRB-LBPRGKRZSA-N 1 0 213.284 2.097 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000616617719 350873404 /nfs/dbraw/zinc/87/34/04/350873404.db2.gz GLVNWVZXBWKOPW-NSHDSACASA-N 1 0 207.321 2.319 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccnc(N)c2)C1 ZINC000616617898 350877677 /nfs/dbraw/zinc/87/76/77/350877677.db2.gz MREYOBQIZFGOGH-LBPRGKRZSA-N 1 0 233.359 2.472 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cncnc2)C1 ZINC000616618165 350882123 /nfs/dbraw/zinc/88/21/23/350882123.db2.gz PQSOTRQOQVAKLF-NSHDSACASA-N 1 0 219.332 2.455 10 0 BEAERO C[C@H]1CN(Cc2csc(Cl)c2)C[C@H]1[NH3+] ZINC000306723558 350890105 /nfs/dbraw/zinc/89/01/05/350890105.db2.gz HGMSULUINSTRQC-IONNQARKSA-N 1 0 230.764 2.181 10 0 BEAERO CCCNC(=[NH2+])N(CC)Cc1ccccc1 ZINC000052037387 350891272 /nfs/dbraw/zinc/89/12/72/350891272.db2.gz UBWFSAYPGPUHQG-UHFFFAOYSA-N 1 0 219.332 2.443 10 0 BEAERO C[C@H](C[NH3+])N1CCc2sccc2[C@H]1C ZINC000251208233 350892793 /nfs/dbraw/zinc/89/27/93/350892793.db2.gz IWBFHRBBYDXTBC-RKDXNWHRSA-N 1 0 210.346 2.014 10 0 BEAERO Nc1cc(Cl)cc(C[NH+]2CC=CC2)c1 ZINC000306724352 350892804 /nfs/dbraw/zinc/89/28/04/350892804.db2.gz IOOVCPBTVLGYRQ-UHFFFAOYSA-N 1 0 208.692 2.294 10 0 BEAERO C[NH2+][C@H](c1ccsc1)[C@H]1OCC[C@H]1C ZINC000129229477 351008931 /nfs/dbraw/zinc/00/89/31/351008931.db2.gz XJSGDDWEAPKOPJ-IEBDPFPHSA-N 1 0 211.330 2.434 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1csc(Br)c1 ZINC000306781344 351026677 /nfs/dbraw/zinc/02/66/77/351026677.db2.gz DSZROMFZORFSFR-XPUUQOCRSA-N 1 0 248.145 2.299 10 0 BEAERO C[C@@H]1C[NH2+][C@@]2(CCCS[C@H]2C)S1 ZINC000251933990 362990902 /nfs/dbraw/zinc/99/09/02/362990902.db2.gz YZWNJSZOUQPCMA-VGMNWLOBSA-N 1 0 203.376 2.323 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@@H]2CCCS2)cs1 ZINC000306804129 351058649 /nfs/dbraw/zinc/05/86/49/351058649.db2.gz XAOOLJQINMBSKW-IUCAKERBSA-N 1 0 214.359 2.347 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1Cc1cncs1 ZINC000159831754 351010401 /nfs/dbraw/zinc/01/04/01/351010401.db2.gz LSZAJMMKTFSVTK-VHSXEESVSA-N 1 0 210.346 2.451 10 0 BEAERO Cc1sc(C(N)=[NH2+])cc1-c1csc(N)n1 ZINC000028014438 180556545 /nfs/dbraw/zinc/55/65/45/180556545.db2.gz LANPFQZJWAIVOQ-UHFFFAOYSA-N 1 0 238.341 2.046 10 0 BEAERO F[C@@H](Cc1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000159841890 351012926 /nfs/dbraw/zinc/01/29/26/351012926.db2.gz XVIUUQPWDSORLO-SCZZXKLOSA-N 1 0 214.309 2.023 10 0 BEAERO F[C@H](Cc1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000159841994 351013079 /nfs/dbraw/zinc/01/30/79/351013079.db2.gz XVIUUQPWDSORLO-PSASIEDQSA-N 1 0 214.309 2.023 10 0 BEAERO [NH3+]CCN1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000616629830 351101496 /nfs/dbraw/zinc/10/14/96/351101496.db2.gz QRSXATUMSMCKEF-CYBMUJFWSA-N 1 0 236.334 2.354 10 0 BEAERO CNc1cccc([C@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616629972 351101504 /nfs/dbraw/zinc/10/15/04/351101504.db2.gz XGWGJJYVQWNJCU-ZDUSSCGKSA-N 1 0 247.386 2.257 10 0 BEAERO CNc1ccc([C@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616630238 351102469 /nfs/dbraw/zinc/10/24/69/351102469.db2.gz ZIIUSJUPZLKXPS-ZDUSSCGKSA-N 1 0 248.370 2.290 10 0 BEAERO C[N@@H+]1CCC[C@H]1c1cccc2nnccc21 ZINC000616630761 351103972 /nfs/dbraw/zinc/10/39/72/351103972.db2.gz AXXLJWJVJPRCIQ-ZDUSSCGKSA-N 1 0 213.284 2.397 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1cccc2cnccc21 ZINC000616630923 351104294 /nfs/dbraw/zinc/10/42/94/351104294.db2.gz CYIBWFXUFNKQSR-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccccc2N)CC1 ZINC000616626938 351106917 /nfs/dbraw/zinc/10/69/17/351106917.db2.gz FWYLMXYNFDVCCK-NSHDSACASA-N 1 0 204.317 2.468 10 0 BEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccccc2N)C1 ZINC000616631799 351108362 /nfs/dbraw/zinc/10/83/62/351108362.db2.gz CYSKIGSJDXRBKF-CYBMUJFWSA-N 1 0 233.359 2.014 10 0 BEAERO CNc1ccc([C@H]2C[N@@H+](C(C)C)CCN2)cc1 ZINC000616631824 351108924 /nfs/dbraw/zinc/10/89/24/351108924.db2.gz FUPJZNNAJXKXAY-CQSZACIVSA-N 1 0 233.359 2.083 10 0 BEAERO CC[N@@H+]1CCN[C@H](c2cc3ccccc3cn2)C1 ZINC000616632096 351110179 /nfs/dbraw/zinc/11/01/79/351110179.db2.gz HQRQYWDGBOKVHH-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1cccc2cnccc21 ZINC000616632236 351111012 /nfs/dbraw/zinc/11/10/12/351111012.db2.gz LGRLNEJQZDGETF-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO c1onnc1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000616632170 351111151 /nfs/dbraw/zinc/11/11/51/351111151.db2.gz ITMGLEGZWACRAW-LBPRGKRZSA-N 1 0 229.283 2.059 10 0 BEAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccc(N)cc2)C1 ZINC000616632394 351111509 /nfs/dbraw/zinc/11/15/09/351111509.db2.gz PLDDOARPSYRVBK-CYBMUJFWSA-N 1 0 233.359 2.014 10 0 BEAERO CCN1CC[NH2+][C@@H](c2ccc3cccnc3c2)C1 ZINC000616632714 351113725 /nfs/dbraw/zinc/11/37/25/351113725.db2.gz YEBBUGXNYMVXCU-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1cccc(CO)c1 ZINC000616636196 351124099 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/nfs/dbraw/zinc/17/59/16/351175916.db2.gz BORVMRNLHRAVLN-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC[N@@H+]1CCCO[C@H](c2cccc(OC)c2)C1 ZINC000616649389 351177864 /nfs/dbraw/zinc/17/78/64/351177864.db2.gz HLFVBTCTBNTSKO-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](c2cccc(N)c2)C1 ZINC000616649383 351177947 /nfs/dbraw/zinc/17/79/47/351177947.db2.gz HDJHZZZIDWMHQS-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cccnc2N)C1 ZINC000616649911 351180101 /nfs/dbraw/zinc/18/01/01/351180101.db2.gz PHAMUXCZQMWTOW-LBPRGKRZSA-N 1 0 249.358 2.226 10 0 BEAERO c1cc2ccncc2c([C@H]2C[NH2+]CCCO2)c1 ZINC000616651380 351181562 /nfs/dbraw/zinc/18/15/62/351181562.db2.gz MYTAQSORPXPITG-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2nnc[nH]2)C1 ZINC000616654001 351194365 /nfs/dbraw/zinc/19/43/65/351194365.db2.gz IRLHKFKGJNEBPR-SNVBAGLBSA-N 1 0 222.336 2.173 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2cccc(N)c2)C1 ZINC000616652587 351185864 /nfs/dbraw/zinc/18/58/64/351185864.db2.gz HDJHZZZIDWMHQS-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO C[N@@H+]1CCCO[C@H](c2ccccc2F)C1 ZINC000616653131 351187110 /nfs/dbraw/zinc/18/71/10/351187110.db2.gz XXOVRHYXZJQBMN-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO c1ccc2cc([C@@H]3C[NH2+]CCCO3)ncc2c1 ZINC000616653438 351187373 /nfs/dbraw/zinc/18/73/73/351187373.db2.gz WIYDFZPVVKNXFJ-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ncco2)C1 ZINC000616652801 351187391 /nfs/dbraw/zinc/18/73/91/351187391.db2.gz KNQSNRORGIIWMJ-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO c1cc2ccc([C@@H]3C[NH2+]CCCO3)cc2cn1 ZINC000616653392 351188196 /nfs/dbraw/zinc/18/81/96/351188196.db2.gz UVJUTBSUORMVEA-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCCO[C@@H](c2cccc3nnccc32)C1 ZINC000616651703 351188744 /nfs/dbraw/zinc/18/87/44/351188744.db2.gz IUQFRBLUFIDXAZ-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO C[N@@H+]1CCCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616651900 351188788 /nfs/dbraw/zinc/18/87/88/351188788.db2.gz LLXWLZCIPARIJF-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccc(N)cc2)C1 ZINC000616652144 351189686 /nfs/dbraw/zinc/18/96/86/351189686.db2.gz DNSDEKQPGKRVPB-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCNC[C@@H]1c1ccc(N)cc1 ZINC000616636966 351130644 /nfs/dbraw/zinc/13/06/44/351130644.db2.gz HGBBDXLBQGWSJJ-CYBMUJFWSA-N 1 0 233.359 2.014 10 0 BEAERO c1ccc2cc([C@H]3C[NH2+]CCCO3)ncc2c1 ZINC000616652374 351191089 /nfs/dbraw/zinc/19/10/89/351191089.db2.gz WIYDFZPVVKNXFJ-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO COc1ccccc1[C@H]1C[NH2+]CCN1C(C)(C)C ZINC000616637374 351132014 /nfs/dbraw/zinc/13/20/14/351132014.db2.gz LTPHSJKZYMMHRW-CYBMUJFWSA-N 1 0 248.370 2.440 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1cnc2ccccc2c1 ZINC000616637274 351132310 /nfs/dbraw/zinc/13/23/10/351132310.db2.gz IVZKJTZRVBSJKV-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO COc1cccc([C@@H]2C[NH2+]CCN2C(C)(C)C)c1 ZINC000616637916 351136553 /nfs/dbraw/zinc/13/65/53/351136553.db2.gz RZTKIUOPJQXSEC-AWEZNQCLSA-N 1 0 248.370 2.440 10 0 BEAERO Cc1ccc(N)c(N[C@H](C)C(F)F)[nH+]1 ZINC000306860712 351236547 /nfs/dbraw/zinc/23/65/47/351236547.db2.gz FAWGJPYQBKTYGS-ZCFIWIBFSA-N 1 0 201.220 2.038 10 0 BEAERO CN1CCc2ccccc2[C@@H]1c1ccon1 ZINC000616677780 351245231 /nfs/dbraw/zinc/24/52/31/351245231.db2.gz VEMZDVHJFMVFEM-CYBMUJFWSA-N 1 0 214.268 2.252 10 0 BEAERO CC(C)N1C[C@@H](CC[NH3+])Nc2ccccc21 ZINC000616681324 351248539 /nfs/dbraw/zinc/24/85/39/351248539.db2.gz PGQIJTQUNWWYPC-LLVKDONJSA-N 1 0 219.332 2.044 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1cn[nH]c1 ZINC000616678779 351249159 /nfs/dbraw/zinc/24/91/59/351249159.db2.gz GXXFVYIZHIFCAY-CQSZACIVSA-N 1 0 227.311 2.377 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](OC(F)(F)F)CC1 ZINC000616686450 351256689 /nfs/dbraw/zinc/25/66/89/351256689.db2.gz KVVJPGUDYVFUGK-MRVPVSSYSA-N 1 0 241.253 2.370 10 0 BEAERO CNc1cccc([C@@H]2CC[N@H+](C)CCO2)c1 ZINC000616686979 351257387 /nfs/dbraw/zinc/25/73/87/351257387.db2.gz NYXRSDNSNYJOAM-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO C[N@@H+]1CCO[C@H](c2ccc(F)cc2)CC1 ZINC000616687388 351258621 /nfs/dbraw/zinc/25/86/21/351258621.db2.gz XBSQVRRQQNCIPF-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccnnc2)C1 ZINC000616657143 351198393 /nfs/dbraw/zinc/19/83/93/351198393.db2.gz ZRGSMIQSZOBJLE-CYBMUJFWSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H](c2ccc(CO)cc2)C1 ZINC000616658102 351200781 /nfs/dbraw/zinc/20/07/81/351200781.db2.gz BHOKSDFGXGBSMP-OAHLLOKOSA-N 1 0 249.354 2.003 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1cc2ccccc2nn1 ZINC000616656350 351202584 /nfs/dbraw/zinc/20/25/84/351202584.db2.gz GDENRAFZCGWLBR-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2ccccc2NC)C1 ZINC000616660394 351203254 /nfs/dbraw/zinc/20/32/54/351203254.db2.gz HRNILSPDRSLFFE-LBPRGKRZSA-N 1 0 234.343 2.164 10 0 BEAERO c1cnc2ccc([C@H]3CCOCC[NH2+]3)cc2c1 ZINC000616660517 351205062 /nfs/dbraw/zinc/20/50/62/351205062.db2.gz SXMQTZBWEVLSDV-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2ccccc2Cl)C1 ZINC000616658960 351205362 /nfs/dbraw/zinc/20/53/62/351205362.db2.gz MGWYTXZOGSFDHE-SNVBAGLBSA-N 1 0 225.719 2.386 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2ccc3cccnc3c2)C1 ZINC000616659382 351207417 /nfs/dbraw/zinc/20/74/17/351207417.db2.gz QWGOIRYGSWACMS-CQSZACIVSA-N 1 0 242.322 2.280 10 0 BEAERO c1ccc2cc([C@H]3CC[NH2+]CCO3)ncc2c1 ZINC000616664536 351219916 /nfs/dbraw/zinc/21/99/16/351219916.db2.gz XLUUATVEMKPCBQ-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO C[C@@H]([NH3+])C(=O)c1ccc(Cl)cc1F ZINC000167997871 351225503 /nfs/dbraw/zinc/22/55/03/351225503.db2.gz VLCPITWHECSJAB-RXMQYKEDSA-N 1 0 201.628 2.009 10 0 BEAERO C[C@H]([NH3+])C(=O)c1ccc(Cl)cc1F ZINC000167997780 351225819 /nfs/dbraw/zinc/22/58/19/351225819.db2.gz VLCPITWHECSJAB-YFKPBYRVSA-N 1 0 201.628 2.009 10 0 BEAERO COc1ccc([C@H]2CC[N@H+](C)CCO2)cc1 ZINC000616666588 351226866 /nfs/dbraw/zinc/22/68/66/351226866.db2.gz ZMLLNIVBNLGXGE-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO C[C@@H]([NH3+])/C=C/c1c(Cl)nc2sccn12 ZINC000231751457 351302667 /nfs/dbraw/zinc/30/26/67/351302667.db2.gz OENIJRVHHKEWJQ-YRFDSLTASA-N 1 0 227.720 2.410 10 0 BEAERO [NH3+][C@H](c1occc1Br)C1CC1 ZINC000068982358 351319716 /nfs/dbraw/zinc/31/97/16/351319716.db2.gz NGCOWSGLZFLACX-ZETCQYMHSA-N 1 0 216.078 2.452 10 0 BEAERO CC(C)(C[NH3+])c1ncc(Br)cc1F ZINC000306916735 351328630 /nfs/dbraw/zinc/32/86/30/351328630.db2.gz XWKJLKOBKOZCML-UHFFFAOYSA-N 1 0 247.111 2.220 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111389050 187477067 /nfs/dbraw/zinc/47/70/67/187477067.db2.gz NQYCOYDOBWNZFC-FKJOKYEKSA-N 1 0 246.354 2.198 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@@]2(C)C[C@H]2F)cs1 ZINC000306879708 351271355 /nfs/dbraw/zinc/27/13/55/351271355.db2.gz FCRNBTASBNUTDY-VGMNWLOBSA-N 1 0 200.282 2.199 10 0 BEAERO Cc1ccc(C(=O)C(C)(C)[NH3+])c(F)c1F ZINC000231740684 351279264 /nfs/dbraw/zinc/27/92/64/351279264.db2.gz GGPPXLYSQUXELO-UHFFFAOYSA-N 1 0 213.227 2.193 10 0 BEAERO COc1ncc([C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000306961125 351384061 /nfs/dbraw/zinc/38/40/61/351384061.db2.gz ACCWJLHNQBZATB-JGVFFNPUSA-N 1 0 212.318 2.137 10 0 BEAERO C[C@](F)(c1ccns1)[C@H]1CCC[NH2+]1 ZINC000306983024 351406567 /nfs/dbraw/zinc/40/65/67/351406567.db2.gz KBTWKOKYDJOFTA-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO CCNc1ccc(C[NH3+])c(Br)c1F ZINC000231839734 351400196 /nfs/dbraw/zinc/40/01/96/351400196.db2.gz SMOQPAVTOZDBOS-UHFFFAOYSA-N 1 0 247.111 2.479 10 0 BEAERO CC(C)C[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000034936807 351350469 /nfs/dbraw/zinc/35/04/69/351350469.db2.gz RBOZHHMLTPAOKQ-NSHDSACASA-N 1 0 226.364 2.069 10 0 BEAERO CCCCC[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000034937114 351350869 /nfs/dbraw/zinc/35/08/69/351350869.db2.gz REJBQFPKCCILED-NSHDSACASA-N 1 0 238.331 2.064 10 0 BEAERO CCCCC[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000034937115 351351099 /nfs/dbraw/zinc/35/10/99/351351099.db2.gz REJBQFPKCCILED-LLVKDONJSA-N 1 0 238.331 2.064 10 0 BEAERO CCCCCNC(=O)[C@H](C)[NH2+]CCCC ZINC000034938696 351353176 /nfs/dbraw/zinc/35/31/76/351353176.db2.gz QEZFRGXPSOVPMY-NSHDSACASA-N 1 0 214.353 2.071 10 0 BEAERO O[C@H]1COCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000628467427 358463444 /nfs/dbraw/zinc/46/34/44/358463444.db2.gz VYBHAHIBEJVEKR-KBPBESRZSA-N 1 0 241.375 2.086 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000309085179 187479728 /nfs/dbraw/zinc/47/97/28/187479728.db2.gz WLBALPCFNUYWIR-NDBYEHHHSA-N 1 0 211.349 2.293 10 0 BEAERO F[C@@]1(Cc2ccc(Br)o2)CC[NH2+]C1 ZINC000306935041 351358703 /nfs/dbraw/zinc/35/87/03/351358703.db2.gz FNXLIMOFNGITMQ-SECBINFHSA-N 1 0 248.095 2.286 10 0 BEAERO CCC[C@H](C[NH2+]Cc1cnn(C)c1C)OCC ZINC000623598798 363035895 /nfs/dbraw/zinc/03/58/95/363035895.db2.gz NYNRZZZAMAVGLV-CYBMUJFWSA-N 1 0 239.363 2.023 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1OCCOCc1ccccc1 ZINC000307054101 351454256 /nfs/dbraw/zinc/45/42/56/351454256.db2.gz WOIMIAPCSMKLFF-KGLIPLIRSA-N 1 0 235.327 2.100 10 0 BEAERO [NH3+][C@@H](c1cn[nH]c1)c1sccc1Cl ZINC000307056909 351455946 /nfs/dbraw/zinc/45/59/46/351455946.db2.gz DOVFDHMAQATGTJ-ZETCQYMHSA-N 1 0 213.693 2.173 10 0 BEAERO Cc1cnc(C2([NH3+])CCC2)c(Br)c1 ZINC000307057902 351457334 /nfs/dbraw/zinc/45/73/34/351457334.db2.gz FHEFBVIUVQDESZ-UHFFFAOYSA-N 1 0 241.132 2.490 10 0 BEAERO Clc1ncc(CS[C@@H]2CC[NH2+]C2)s1 ZINC000095070282 180602013 /nfs/dbraw/zinc/60/20/13/180602013.db2.gz GDIOZFMIXRRGII-ZCFIWIBFSA-N 1 0 234.777 2.392 10 0 BEAERO [NH3+]C1CC(Nc2ccsc2Cl)C1 ZINC000307102953 351480262 /nfs/dbraw/zinc/48/02/62/351480262.db2.gz BGNQWSQBQRFYHM-UHFFFAOYSA-N 1 0 202.710 2.303 10 0 BEAERO C/C(=C\Cl)CN1CC[NH2+]C[C@H]1C(C)C ZINC000232012478 351531074 /nfs/dbraw/zinc/53/10/74/351531074.db2.gz FJWCUPMPZGNKEQ-RUYJGKKWSA-N 1 0 216.756 2.059 10 0 BEAERO CCC[C@@H](C(=O)Nc1ncc(C)s1)[NH+](C)C ZINC000161659787 323555052 /nfs/dbraw/zinc/55/50/52/323555052.db2.gz UWBDTEAMSCZGEL-VIFPVBQESA-N 1 0 241.360 2.120 10 0 BEAERO [NH3+]C1CN(Cc2cc(Cl)sc2Cl)C1 ZINC000307185097 351583191 /nfs/dbraw/zinc/58/31/91/351583191.db2.gz HDLDHYOHFVQEGS-UHFFFAOYSA-N 1 0 237.155 2.198 10 0 BEAERO C[C@@H](C(=O)Nc1ccsc1Cl)[C@H](C)[NH3+] ZINC000307200999 351602439 /nfs/dbraw/zinc/60/24/39/351602439.db2.gz CBVKSPJVDMRNPE-RITPCOANSA-N 1 0 232.736 2.323 10 0 BEAERO Cc1cc2c(c(C)c1Cl)[C@@H](C[NH3+])CO2 ZINC000606303043 351558606 /nfs/dbraw/zinc/55/86/06/351558606.db2.gz CFQMZGANFMVBKJ-QMMMGPOBSA-N 1 0 211.692 2.392 10 0 BEAERO Cc1cc(CC(=O)[C@H]2CC[NH2+][C@@H]2C)cs1 ZINC000307171030 351560386 /nfs/dbraw/zinc/56/03/86/351560386.db2.gz AXPGJMBNRACNMY-KOLCDFICSA-N 1 0 223.341 2.166 10 0 BEAERO [NH3+]CC[C@H]1COc2cc3c(cc21)CCCC3 ZINC000606303740 351561097 /nfs/dbraw/zinc/56/10/97/351561097.db2.gz GSJINQCQHBAUKL-LBPRGKRZSA-N 1 0 217.312 2.390 10 0 BEAERO CC1(C)CC(C[NH3+])(NCc2ccccc2)C1 ZINC000307219304 351619438 /nfs/dbraw/zinc/61/94/38/351619438.db2.gz WFTGEDVFZRKMDE-UHFFFAOYSA-N 1 0 218.344 2.294 10 0 BEAERO C(C[C@H]1CCC[NH2+]C1)SC1CCOCC1 ZINC000062056251 187496990 /nfs/dbraw/zinc/49/69/90/187496990.db2.gz DLURFVSPUWFKQO-LLVKDONJSA-N 1 0 229.389 2.288 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CC=CCC1 ZINC000307235325 351710527 /nfs/dbraw/zinc/71/05/27/351710527.db2.gz SNFJTGSVWSODSJ-ZDUSSCGKSA-N 1 0 229.327 2.409 10 0 BEAERO CC[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637906069 351779459 /nfs/dbraw/zinc/77/94/59/351779459.db2.gz XLFRKEAICKVHNG-KGLIPLIRSA-N 1 0 244.338 2.301 10 0 BEAERO [NH3+][C@@H]1CCC[C@](F)(c2cscn2)C1 ZINC000307253529 351781090 /nfs/dbraw/zinc/78/10/90/351781090.db2.gz VMYPPJXNMFWWBG-VXNVDRBHSA-N 1 0 200.282 2.209 10 0 BEAERO C[C@@H]1CCC[C@]1(C[NH3+])Cc1nccs1 ZINC000307252847 351782098 /nfs/dbraw/zinc/78/20/98/351782098.db2.gz TYUQQCUKIVDZIE-MWLCHTKSSA-N 1 0 210.346 2.451 10 0 BEAERO [NH3+]Cc1ccc(-c2cccc(O)c2)nc1F ZINC000725269095 538101232 /nfs/dbraw/zinc/10/12/32/538101232.db2.gz DPCOLPWVBUHTAH-UHFFFAOYSA-N 1 0 218.231 2.052 10 0 BEAERO [NH3+][C@H](c1ccns1)[C@H]1CCCCS1 ZINC000307275209 351829180 /nfs/dbraw/zinc/82/91/80/351829180.db2.gz PEFMLIXHEXTDCW-APPZFPTMSA-N 1 0 214.359 2.429 10 0 BEAERO C[C@]1(O)CCC[C@H]1[NH2+]Cc1cccs1 ZINC000307302162 351928538 /nfs/dbraw/zinc/92/85/38/351928538.db2.gz VCGYUPQWGAIRLI-MNOVXSKESA-N 1 0 211.330 2.141 10 0 BEAERO C[C@@]1(O)CCC[C@H]1[NH2+]Cc1cccs1 ZINC000307302153 351928559 /nfs/dbraw/zinc/92/85/59/351928559.db2.gz VCGYUPQWGAIRLI-GHMZBOCLSA-N 1 0 211.330 2.141 10 0 BEAERO CC[C@@H]([NH2+]Cc1nncn1CC)C(C)(C)C ZINC000336734349 351890217 /nfs/dbraw/zinc/89/02/17/351890217.db2.gz KVRJGXOLZYWUHS-SNVBAGLBSA-N 1 0 224.352 2.212 10 0 BEAERO CC[C@@H](CC(=O)NC[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000638164321 352032209 /nfs/dbraw/zinc/03/22/09/352032209.db2.gz HCLUBKWHEBFZAB-RYUDHWBXSA-N 1 0 240.391 2.175 10 0 BEAERO Cn1cc([C@H](C[NH3+])SC2CCCCC2)cn1 ZINC000043238376 180670793 /nfs/dbraw/zinc/67/07/93/180670793.db2.gz ZOCJAYIXTLTHPH-LBPRGKRZSA-N 1 0 239.388 2.486 10 0 BEAERO COc1cc([C@H]([NH3+])[C@H]2CC2(C)C)sn1 ZINC000307339616 352081349 /nfs/dbraw/zinc/08/13/49/352081349.db2.gz SAJFIJSIWSJYMQ-HZGVNTEJSA-N 1 0 212.318 2.198 10 0 BEAERO CC[C@@H]1C[NH+]=C(N[C@@H]2CS[C@H](C)C2)S1 ZINC000307347508 352102333 /nfs/dbraw/zinc/10/23/33/352102333.db2.gz QEJFBPQYGHRVFJ-HRDYMLBCSA-N 1 0 230.402 2.351 10 0 BEAERO [NH3+]Cc1c(F)cc(F)cc1Br ZINC000300891375 363110606 /nfs/dbraw/zinc/11/06/06/363110606.db2.gz OOUDQDZIWCNBCL-UHFFFAOYSA-N 1 0 222.032 2.186 10 0 BEAERO CC(C)n1c[nH+]c([C@@H]2CCSC2)c1N ZINC000224660767 363112994 /nfs/dbraw/zinc/11/29/94/363112994.db2.gz ZQFQKAKZCGKNKL-MRVPVSSYSA-N 1 0 211.334 2.267 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1nnc2n1CCCCC2 ZINC000037140744 358469038 /nfs/dbraw/zinc/46/90/38/358469038.db2.gz NTNKWPWOJOATRH-WDEREUQCSA-N 1 0 248.374 2.454 10 0 BEAERO NN[C@@H](C1CC1)[C@H]1CCCC(F)(F)C1 ZINC000300917178 363119990 /nfs/dbraw/zinc/11/99/90/363119990.db2.gz PIIHNLPDHRSGSC-IUCAKERBSA-N 1 0 204.264 2.054 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000252112649 363123811 /nfs/dbraw/zinc/12/38/11/363123811.db2.gz JTOHFWFQBVOXBU-UPJWGTAASA-N 1 0 244.448 2.446 10 0 BEAERO C[C@@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C)C(N)=S ZINC000252133254 363135606 /nfs/dbraw/zinc/13/56/06/363135606.db2.gz LCYBVIXSTKIRIV-KXUCPTDWSA-N 1 0 214.378 2.029 10 0 BEAERO CC(C)c1nsc(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000083670735 352303009 /nfs/dbraw/zinc/30/30/09/352303009.db2.gz DKUQNFZCYUFBKQ-VIFPVBQESA-N 1 0 240.376 2.073 10 0 BEAERO [NH3+][C@@H]1CCc2c1cccc2NC(=O)C1CCC1 ZINC000725271157 538103236 /nfs/dbraw/zinc/10/32/36/538103236.db2.gz ICGWQDZSQZJFOM-GFCCVEGCSA-N 1 0 230.311 2.371 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@H]1CC=CCC1 ZINC000638601476 352436860 /nfs/dbraw/zinc/43/68/60/352436860.db2.gz QJTJKWYHVGUFGW-QWHCGFSZSA-N 1 0 238.375 2.222 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(F)(F)C[C@H]1C ZINC000638632308 352472342 /nfs/dbraw/zinc/47/23/42/352472342.db2.gz WLHSSYLBPSDCIX-IVZWLZJFSA-N 1 0 248.317 2.006 10 0 BEAERO [NH3+][C@@H](c1coc(Br)c1)c1ccc[nH]1 ZINC000307374492 352473677 /nfs/dbraw/zinc/47/36/77/352473677.db2.gz UDGIITCNRFHKMZ-VIFPVBQESA-N 1 0 241.088 2.418 10 0 BEAERO [NH3+][C@H]1CC[C@H]1Cc1ccc(Br)o1 ZINC000307375113 352474856 /nfs/dbraw/zinc/47/48/56/352474856.db2.gz UZMMKTJWXCYJKW-XPUUQOCRSA-N 1 0 230.105 2.322 10 0 BEAERO C[NH2+]C[C@@]1(C)CC[C@](C)(C(F)(F)F)O1 ZINC000307387321 352548177 /nfs/dbraw/zinc/54/81/77/352548177.db2.gz CLKWOCCZWZNHAE-HTQZYQBOSA-N 1 0 211.227 2.096 10 0 BEAERO CCNC(=[NH2+])[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000300024619 352552492 /nfs/dbraw/zinc/55/24/92/352552492.db2.gz GJVNEHWJKZAJDN-PRJMDXOYSA-N 1 0 218.391 2.199 10 0 BEAERO Cc1cccc(C2CC([NH2+]CCCO)C2)c1 ZINC000036844322 187741991 /nfs/dbraw/zinc/74/19/91/187741991.db2.gz PRKZKRHGVZFMQG-UHFFFAOYSA-N 1 0 219.328 2.213 10 0 BEAERO CN(Cc1ccccc1)C1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000307477200 352618166 /nfs/dbraw/zinc/61/81/66/352618166.db2.gz MCZDTTSOFNRWEH-KBPBESRZSA-N 1 0 243.354 2.389 10 0 BEAERO C[C@@H]([NH3+])CCc1coc(Br)c1 ZINC000307414222 352588798 /nfs/dbraw/zinc/58/87/98/352588798.db2.gz HZXDAIYQFNSWJN-ZCFIWIBFSA-N 1 0 218.094 2.322 10 0 BEAERO Cc1nc(C)c([C@H]2[NH2+][C@H](C)CS2)s1 ZINC000307444257 352597274 /nfs/dbraw/zinc/59/72/74/352597274.db2.gz UROXZLCLRHYNGS-ANLVUFKYSA-N 1 0 214.359 2.483 10 0 BEAERO CC(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040494350 352597905 /nfs/dbraw/zinc/59/79/05/352597905.db2.gz BRORIQONNRKSKR-SRVKXCTJSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CN(C(=[NH2+])NCc2ccccc2)C[C@H]1C ZINC000307450670 352602826 /nfs/dbraw/zinc/60/28/26/352602826.db2.gz BWURDOIDLFNQBQ-VXGBXAGGSA-N 1 0 231.343 2.299 10 0 BEAERO CC(C)[C@@](C)(O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000364351331 187754812 /nfs/dbraw/zinc/75/48/12/187754812.db2.gz FJQZPJXKRQPBPC-OLZOCXBDSA-N 1 0 211.349 2.125 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000300578370 352567907 /nfs/dbraw/zinc/56/79/07/352567907.db2.gz GFEYTXOHENWTLC-OCCSQVGLSA-N 1 0 246.354 2.106 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1C2CCC1CC2 ZINC000307397518 352573978 /nfs/dbraw/zinc/57/39/78/352573978.db2.gz VZJXEVYVODECNV-UHFFFAOYSA-N 1 0 229.327 2.338 10 0 BEAERO C[C@@H]1C[C@H]1[C@@]1(C)C[NH+]=C(N)N1Cc1ccccc1 ZINC000307405346 352580689 /nfs/dbraw/zinc/58/06/89/352580689.db2.gz FBJQIOIRTXSBDR-UXIGCNINSA-N 1 0 243.354 2.232 10 0 BEAERO CCn1c[nH+]c([C@@H]2CCCSC2)c1N ZINC000307540193 352644002 /nfs/dbraw/zinc/64/40/02/352644002.db2.gz VRLLVFYRLZLEPT-MRVPVSSYSA-N 1 0 211.334 2.096 10 0 BEAERO C[C@H](NC1=[NH+][C@@H](C)CCS1)C(F)F ZINC000307540701 352644417 /nfs/dbraw/zinc/64/44/17/352644417.db2.gz AFEPBVUNJKERBY-WDSKDSINSA-N 1 0 208.277 2.111 10 0 BEAERO [NH3+]Cc1ccc(Sc2ncccn2)c(F)c1 ZINC000036887046 187768292 /nfs/dbraw/zinc/76/82/92/187768292.db2.gz AORTZMBLVSADIW-UHFFFAOYSA-N 1 0 235.287 2.226 10 0 BEAERO CC(C)[NH+](CCN[C@H](C)c1cc[nH]n1)C(C)C ZINC000037906358 187770429 /nfs/dbraw/zinc/77/04/29/187770429.db2.gz IQIHGKHUJQOGPD-GFCCVEGCSA-N 1 0 238.379 2.179 10 0 BEAERO C[C@@]1(c2ncc(C[NH3+])s2)CCCS1 ZINC000307500545 352627414 /nfs/dbraw/zinc/62/74/14/352627414.db2.gz HTAQCOJONRNSJH-VIFPVBQESA-N 1 0 214.359 2.344 10 0 BEAERO C[C@@]1(CC[NH3+])CC[C@H](c2cscn2)O1 ZINC000307501657 352629657 /nfs/dbraw/zinc/62/96/57/352629657.db2.gz NDQVZOVGONZJJY-ZJUUUORDSA-N 1 0 212.318 2.102 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@]21CCSC1 ZINC000307503702 352630390 /nfs/dbraw/zinc/63/03/90/352630390.db2.gz XKCHPTBYWVAWMJ-SNVBAGLBSA-N 1 0 211.355 2.226 10 0 BEAERO CSC[C@H]([NH3+])c1cc(F)c(F)cc1F ZINC000307526788 352634698 /nfs/dbraw/zinc/63/46/98/352634698.db2.gz IVZUOPJCKOMNST-VIFPVBQESA-N 1 0 221.247 2.467 10 0 BEAERO Cc1cc(O)cc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000638758029 352692347 /nfs/dbraw/zinc/69/23/47/352692347.db2.gz WJYDNEHERVZTOL-LLVKDONJSA-N 1 0 248.326 2.171 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000638758332 352693042 /nfs/dbraw/zinc/69/30/42/352693042.db2.gz ZCQPULUIYJTQGA-GXFFZTMASA-N 1 0 248.326 2.027 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000307628400 352708877 /nfs/dbraw/zinc/70/88/77/352708877.db2.gz UAUDBAJWKQTXHR-BDAKNGLRSA-N 1 0 225.723 2.360 10 0 BEAERO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000307628403 352709019 /nfs/dbraw/zinc/70/90/19/352709019.db2.gz UAUDBAJWKQTXHR-RKDXNWHRSA-N 1 0 225.723 2.360 10 0 BEAERO Brc1occc1C[NH2+]C1CC1 ZINC000232475050 352741809 /nfs/dbraw/zinc/74/18/09/352741809.db2.gz DEXOPFKUIVHPGY-UHFFFAOYSA-N 1 0 216.078 2.294 10 0 BEAERO [NH3+]Cc1ccccc1SC1CCOCC1 ZINC000062055125 187833973 /nfs/dbraw/zinc/83/39/73/187833973.db2.gz PLXHXJMZQOIACS-UHFFFAOYSA-N 1 0 223.341 2.416 10 0 BEAERO Cc1cc(C(=O)CC2([NH3+])CC2)ccc1F ZINC000307661554 352748286 /nfs/dbraw/zinc/74/82/86/352748286.db2.gz GSEXQUWTVRPEIP-UHFFFAOYSA-N 1 0 207.248 2.198 10 0 BEAERO CCC1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055088796 1172154441 /nfs/dbraw/zinc/15/44/41/1172154441.db2.gz QFWDZQQTTSIXEH-QWHCGFSZSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055087505 1172154555 /nfs/dbraw/zinc/15/45/55/1172154555.db2.gz CUBSCMUFQRIHLL-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CCCCCC1 ZINC000055086856 1172153885 /nfs/dbraw/zinc/15/38/85/1172153885.db2.gz OZTSBNTXAQKWBL-STQMWFEESA-N 1 0 238.375 2.343 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC12CC2 ZINC000638796712 352900906 /nfs/dbraw/zinc/90/09/06/352900906.db2.gz VUGBOSTVWHMKNY-NEPJUHHUSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC12CC2 ZINC000638807416 352984385 /nfs/dbraw/zinc/98/43/85/352984385.db2.gz LXWFBYSPDQJADB-NWDGAFQWSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@H]1CCO[C@](C)(C(F)(F)F)C[NH2+]1 ZINC000306545223 353022916 /nfs/dbraw/zinc/02/29/16/353022916.db2.gz APQUCEDJHMIODC-YUMQZZPRSA-N 1 0 211.227 2.096 10 0 BEAERO CC[C@](C)(NC(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000638858369 353034861 /nfs/dbraw/zinc/03/48/61/353034861.db2.gz OLWNTBMVRZDIAP-SUHUHFCYSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@](C)(NC(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000638858592 353035093 /nfs/dbraw/zinc/03/50/93/353035093.db2.gz UCAXQVGABSGPSO-DGCLKSJQSA-N 1 0 226.364 2.055 10 0 BEAERO C/C(=C/Cl)CN1C[C@H](C)[NH2+]CC1(C)C ZINC000393672492 353004994 /nfs/dbraw/zinc/00/49/94/353004994.db2.gz LZYIKVQPFJZASH-BSKOKIOFSA-N 1 0 216.756 2.201 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]1Cc1coc(Br)c1 ZINC000307284177 353066199 /nfs/dbraw/zinc/06/61/99/353066199.db2.gz MYSWEZUGBVZTGC-HTQZYQBOSA-N 1 0 230.105 2.322 10 0 BEAERO C[C@H](C[NH3+])Nc1nccc2ccsc21 ZINC000307394853 353073395 /nfs/dbraw/zinc/07/33/95/353073395.db2.gz ODZPQJVCKGCODX-SSDOTTSWSA-N 1 0 207.302 2.055 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000638864886 353038958 /nfs/dbraw/zinc/03/89/58/353038958.db2.gz DAMIIJWSXUTRDQ-VXGBXAGGSA-N 1 0 240.391 2.304 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638867025 353040833 /nfs/dbraw/zinc/04/08/33/353040833.db2.gz XEFLZGQVLQTIHC-VXGBXAGGSA-N 1 0 240.391 2.317 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000638867023 353040892 /nfs/dbraw/zinc/04/08/92/353040892.db2.gz XEFLZGQVLQTIHC-NWDGAFQWSA-N 1 0 240.391 2.317 10 0 BEAERO COc1ncc([C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000306961121 353047349 /nfs/dbraw/zinc/04/73/49/353047349.db2.gz ACCWJLHNQBZATB-HTQZYQBOSA-N 1 0 212.318 2.137 10 0 BEAERO C[C@H](NC1=N[C@@H](C)[C@@H](C)S1)C(F)F ZINC000306979414 353047872 /nfs/dbraw/zinc/04/78/72/353047872.db2.gz OVBTUTNLTSAUKW-HCWXCVPCSA-N 1 0 208.277 2.109 10 0 BEAERO O=C(Nc1ccsc1Cl)[C@H]1CCC[NH2+]1 ZINC000307018614 353050204 /nfs/dbraw/zinc/05/02/04/353050204.db2.gz RFFFIYOZAFKIIO-SSDOTTSWSA-N 1 0 230.720 2.092 10 0 BEAERO C[C@@H]1Oc2c(c(F)ccc2Cl)[C@@H]1[NH3+] ZINC000307100172 353054522 /nfs/dbraw/zinc/05/45/22/353054522.db2.gz GPVIRXNKQQVPFN-RNHFCUEFSA-N 1 0 201.628 2.260 10 0 BEAERO Cc1cnccc1[C@@]1(C[NH3+])CCCS1 ZINC000307714217 353107540 /nfs/dbraw/zinc/10/75/40/353107540.db2.gz DDOTWLNMXGIMJX-NSHDSACASA-N 1 0 208.330 2.071 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]C1CCC(F)CC1 ZINC000307723564 353111484 /nfs/dbraw/zinc/11/14/84/353111484.db2.gz VLRXISUOGWRIJM-AGVGLQIMSA-N 1 0 201.285 2.034 10 0 BEAERO CCCNc1cc(N)[nH+]cc1Br ZINC000307509271 353079975 /nfs/dbraw/zinc/07/99/75/353079975.db2.gz NSEHIKRYEHLILD-UHFFFAOYSA-N 1 0 230.109 2.248 10 0 BEAERO [NH3+]C1CC(F)(Cc2coc(Br)c2)C1 ZINC000307705534 353085948 /nfs/dbraw/zinc/08/59/48/353085948.db2.gz YNKCMPUWFRTANL-UHFFFAOYSA-N 1 0 248.095 2.414 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2OCC[C@H]2C)cs1 ZINC000129490770 353138967 /nfs/dbraw/zinc/13/89/67/353138967.db2.gz ZEUPLSQHQUUIRV-GGVZMXCHSA-N 1 0 211.330 2.481 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)c2nccn21 ZINC000329285667 538108788 /nfs/dbraw/zinc/10/87/88/538108788.db2.gz OYEOJBASMVQAPI-VOAKCMCISA-N 1 0 249.358 2.030 10 0 BEAERO [NH3+][C@@]1(c2ccc(Cl)cc2Cl)C[C@@H](O)C1 ZINC000536957811 323968353 /nfs/dbraw/zinc/96/83/53/323968353.db2.gz FBNJYZWCXHHEIT-WKFQBHICSA-N 1 0 232.110 2.302 10 0 BEAERO CC[C@@H]1CC[NH2+][C@H](CP(=O)(OC)OC)C1 ZINC000308937549 538109505 /nfs/dbraw/zinc/10/95/05/538109505.db2.gz QOJDMVRVVSBJHW-ZJUUUORDSA-N 1 0 235.264 2.251 10 0 BEAERO CCNc1cccc(Cn2ccnc2)c1 ZINC000037123659 188105076 /nfs/dbraw/zinc/10/50/76/188105076.db2.gz BVADBCUGUFYWTL-UHFFFAOYSA-N 1 0 201.273 2.363 10 0 BEAERO COc1ccc([C@@H]([NH3+])COC(C)C)cc1OC ZINC000019270164 188106778 /nfs/dbraw/zinc/10/67/78/188106778.db2.gz YCHZLLVTGTYMOR-NSHDSACASA-N 1 0 239.315 2.129 10 0 BEAERO CC(C)[C@@H]1[NH2+]CCO[C@@H]1c1ccccc1 ZINC000037405099 188106959 /nfs/dbraw/zinc/10/69/59/188106959.db2.gz FUPUTQZKFZTXOY-QWHCGFSZSA-N 1 0 205.301 2.372 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1OC[C@H]1CCCO1 ZINC000022178198 188109281 /nfs/dbraw/zinc/10/92/81/188109281.db2.gz DGCINBYBJHSKSC-GHMZBOCLSA-N 1 0 221.300 2.264 10 0 BEAERO CC(C)C[C@](C)(C[NH3+])N(C)Cc1ccncc1 ZINC000036775739 188112654 /nfs/dbraw/zinc/11/26/54/188112654.db2.gz UDIDZHHHYCVDFT-CQSZACIVSA-N 1 0 235.375 2.277 10 0 BEAERO Cc1ccc([C@H]([NH3+])CN(C)C2CC2)c(C)c1 ZINC000037081025 188113599 /nfs/dbraw/zinc/11/35/99/188113599.db2.gz ZKLHKQXMVVHZKQ-CQSZACIVSA-N 1 0 218.344 2.397 10 0 BEAERO CC(C)C[C@]([NH2+]C1CC1)(C(N)=O)c1ccccc1 ZINC000037514563 188114013 /nfs/dbraw/zinc/11/40/13/188114013.db2.gz JAEDZGYLIUUQLI-OAHLLOKOSA-N 1 0 246.354 2.165 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)C1([NH3+])CCCC1 ZINC000037807380 188114639 /nfs/dbraw/zinc/11/46/39/188114639.db2.gz BDHURPAQWGSGDR-NSHDSACASA-N 1 0 226.364 2.151 10 0 BEAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)C1CC1 ZINC000037889516 188114764 /nfs/dbraw/zinc/11/47/64/188114764.db2.gz BUJGRJCTPVYHTO-SGMGOOAPSA-N 1 0 243.391 2.187 10 0 BEAERO Cc1cccc(C(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000077297536 188116981 /nfs/dbraw/zinc/11/69/81/188116981.db2.gz UCHCDHARRTZRQA-SNVBAGLBSA-N 1 0 203.285 2.318 10 0 BEAERO CC(C)C[C@@H]([NH2+][C@H](C)C(N)=O)c1ccccc1 ZINC000038249758 188117116 /nfs/dbraw/zinc/11/71/16/188117116.db2.gz QETWWVRTCJBJMO-DGCLKSJQSA-N 1 0 234.343 2.237 10 0 BEAERO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(Cl)cn1 ZINC000040459097 188117828 /nfs/dbraw/zinc/11/78/28/188117828.db2.gz FQDOKOWXVLWCPF-SECBINFHSA-N 1 0 241.722 2.047 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)Cc1ccccc1F ZINC000082362494 188119373 /nfs/dbraw/zinc/11/93/73/188119373.db2.gz VOHGTXXVSUTDAZ-GFCCVEGCSA-N 1 0 223.291 2.311 10 0 BEAERO CCc1nccn1-c1ccc(F)cc1C[NH3+] ZINC000042420061 188119655 /nfs/dbraw/zinc/11/96/55/188119655.db2.gz PPKRUSGHKGEHLU-UHFFFAOYSA-N 1 0 219.263 2.033 10 0 BEAERO Cc1ccc(C)c(CN(C)CC[NH2+]C2CC2)c1 ZINC000042691245 188120303 /nfs/dbraw/zinc/12/03/03/188120303.db2.gz PFVJCBYMUWUELE-UHFFFAOYSA-N 1 0 232.371 2.487 10 0 BEAERO Cc1cc(C)n([C@@H](C[NH3+])c2sccc2C)n1 ZINC000043249131 188121401 /nfs/dbraw/zinc/12/14/01/188121401.db2.gz GJRUWQLVYXHLTC-NSHDSACASA-N 1 0 235.356 2.418 10 0 BEAERO Cc1cc(C)n([C@@H](C[NH3+])c2cccc(F)c2)n1 ZINC000042973161 188121430 /nfs/dbraw/zinc/12/14/30/188121430.db2.gz UJYKDLRXMTWGMR-ZDUSSCGKSA-N 1 0 233.290 2.187 10 0 BEAERO C[NH2+][C@@H]1CCN(CCOc2ccccc2)[C@@H](C)C1 ZINC000042896805 188121768 /nfs/dbraw/zinc/12/17/68/188121768.db2.gz UGGMXZZZNPZZQU-UONOGXRCSA-N 1 0 248.370 2.138 10 0 BEAERO Cc1ccccc1[C@@H](C[NH3+])n1cc(Cl)cn1 ZINC000043037899 188122000 /nfs/dbraw/zinc/12/20/00/188122000.db2.gz KCXPPMNKVIXUPW-GFCCVEGCSA-N 1 0 235.718 2.393 10 0 BEAERO CC(C)=CCOc1cc2c(cc1C[NH3+])OCO2 ZINC000042873749 188122077 /nfs/dbraw/zinc/12/20/77/188122077.db2.gz PUSVCMCTMOHHBO-UHFFFAOYSA-N 1 0 235.283 2.219 10 0 BEAERO [NH3+]CCCc1cc(Br)ccc1O ZINC000044279434 188122529 /nfs/dbraw/zinc/12/25/29/188122529.db2.gz KBKZVMWDTJFUFG-UHFFFAOYSA-N 1 0 230.105 2.046 10 0 BEAERO FC(F)(F)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199933 180882816 /nfs/dbraw/zinc/88/28/16/180882816.db2.gz DBLFWIXAJNNGPC-JTQLQIEISA-N 1 0 236.281 2.013 10 0 BEAERO COc1ccc(CN2[C@H](C)COC[C@@H]2C)cc1 ZINC000093607342 188145196 /nfs/dbraw/zinc/14/51/96/188145196.db2.gz VTPHJVIITLBTGV-TXEJJXNPSA-N 1 0 235.327 2.304 10 0 BEAERO CC(=O)c1ccc(NCC[C@H](C)C[NH3+])cc1 ZINC000049817947 188125384 /nfs/dbraw/zinc/12/53/84/188125384.db2.gz SKLTTYJCODZGDR-JTQLQIEISA-N 1 0 220.316 2.286 10 0 BEAERO CC(=O)c1ccc(NC[C@H](C)CC[NH3+])cc1 ZINC000049817952 188125719 /nfs/dbraw/zinc/12/57/19/188125719.db2.gz QMGBTEZEHUYMKI-SNVBAGLBSA-N 1 0 220.316 2.286 10 0 BEAERO CNc1ncccc1C[N@@H+]1CCCSCC1 ZINC000052730868 188126153 /nfs/dbraw/zinc/12/61/53/188126153.db2.gz WXZPUBQZBPSPGQ-UHFFFAOYSA-N 1 0 237.372 2.062 10 0 BEAERO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+]C ZINC000052395643 188126436 /nfs/dbraw/zinc/12/64/36/188126436.db2.gz XWNCBMDPZASDJD-JTQLQIEISA-N 1 0 234.343 2.358 10 0 BEAERO Cc1ccc(OCc2ncccn2)c([C@@H](C)[NH3+])c1 ZINC000054458462 188126553 /nfs/dbraw/zinc/12/65/53/188126553.db2.gz HWVYROKQCJMDNK-LLVKDONJSA-N 1 0 243.310 2.384 10 0 BEAERO FC(F)(F)N(Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000095076925 180886593 /nfs/dbraw/zinc/88/65/93/180886593.db2.gz KMBMYNDKWYEYAI-LLVKDONJSA-N 1 0 244.260 2.370 10 0 BEAERO CC(=O)c1ccc(NC(=O)[C@@H](C)CCC[NH3+])cc1 ZINC000076633783 188134149 /nfs/dbraw/zinc/13/41/49/188134149.db2.gz HURWKMDNJRHMFB-JTQLQIEISA-N 1 0 248.326 2.203 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cn1 ZINC000077488146 188136237 /nfs/dbraw/zinc/13/62/37/188136237.db2.gz FQDOKOWXVLWCPF-VIFPVBQESA-N 1 0 241.722 2.047 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000082327249 188138312 /nfs/dbraw/zinc/13/83/12/188138312.db2.gz QNCRPFNOXDPGBM-GFCCVEGCSA-N 1 0 241.356 2.136 10 0 BEAERO CC(C)([NH3+])[C@H](O)c1ccc(Cl)c(F)c1 ZINC000082368797 188138868 /nfs/dbraw/zinc/13/88/68/188138868.db2.gz TXBAAORNIZPCIK-SECBINFHSA-N 1 0 217.671 2.250 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000638995818 353238738 /nfs/dbraw/zinc/23/87/38/353238738.db2.gz GGFSZKOFMZWNEE-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cs1 ZINC000638994342 353233460 /nfs/dbraw/zinc/23/34/60/353233460.db2.gz NFGVKUFXDFFQPV-SNVBAGLBSA-N 1 0 226.345 2.368 10 0 BEAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)cs1 ZINC000638994667 353233972 /nfs/dbraw/zinc/23/39/72/353233972.db2.gz QLYUMBQRPNLFEW-JTQLQIEISA-N 1 0 238.356 2.385 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000638996816 353237959 /nfs/dbraw/zinc/23/79/59/353237959.db2.gz OGRBFOWDWTXCAT-RAIGVLPGSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000638995745 353237968 /nfs/dbraw/zinc/23/79/68/353237968.db2.gz FRWBOBFBABGDIU-RISCZKNCSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1C[NH2+][C@@H](c2ccc3c(c2)OCO3)C1 ZINC000003704360 188160514 /nfs/dbraw/zinc/16/05/14/188160514.db2.gz VYZZRBCMRUYOJJ-PSASIEDQSA-N 1 0 205.257 2.086 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CC12CCOCC2)C1CC1 ZINC000336749149 188169938 /nfs/dbraw/zinc/16/99/38/188169938.db2.gz DZFRGUDHYNZNHU-ZYHUDNBSSA-N 1 0 209.333 2.191 10 0 BEAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cs1 ZINC000638994099 353228554 /nfs/dbraw/zinc/22/85/54/353228554.db2.gz INNJWDZHSKQMLI-MWLCHTKSSA-N 1 0 238.356 2.383 10 0 BEAERO CC(C)[N@H+](C)Cc1ccc(C(N)=S)cc1 ZINC000019504125 188173581 /nfs/dbraw/zinc/17/35/81/188173581.db2.gz UJQFEFXJULTLBA-UHFFFAOYSA-N 1 0 222.357 2.161 10 0 BEAERO CC(C)([NH3+])C(=O)Nc1cc(Cl)ccc1F ZINC000040920622 188149466 /nfs/dbraw/zinc/14/94/66/188149466.db2.gz NPRROBXDNQFZLH-UHFFFAOYSA-N 1 0 230.670 2.155 10 0 BEAERO Cn1ccnc1C[NH2+]CCC1CCCCC1 ZINC000037741887 358477349 /nfs/dbraw/zinc/47/73/49/358477349.db2.gz DZZNCEBWLRHEPY-UHFFFAOYSA-N 1 0 221.348 2.480 10 0 BEAERO Cc1ccc(OCCC[NH3+])c(Br)c1 ZINC000020077886 188174708 /nfs/dbraw/zinc/17/47/08/188174708.db2.gz KOOCCWBWHQRXGV-UHFFFAOYSA-N 1 0 244.132 2.485 10 0 BEAERO CCN(C)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000054996317 188178161 /nfs/dbraw/zinc/17/81/61/188178161.db2.gz KDWRWFXSOMMVSC-UHFFFAOYSA-N 1 0 227.377 2.355 10 0 BEAERO CC(C)[C@H](C[NH3+])N1CCc2sccc2C1 ZINC000022210840 188179728 /nfs/dbraw/zinc/17/97/28/188179728.db2.gz FOLNOKVPQOGRCT-NSHDSACASA-N 1 0 224.373 2.090 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1NC(=O)C1CC1 ZINC000022223471 188179780 /nfs/dbraw/zinc/17/97/80/188179780.db2.gz BFRIGRGLVGHGQO-MRVPVSSYSA-N 1 0 204.273 2.055 10 0 BEAERO C=C(c1ccccc1OC)n1ccnc1 ZINC000028763551 188181262 /nfs/dbraw/zinc/18/12/62/188181262.db2.gz MWJOCTMDTPLUDX-UHFFFAOYSA-N 1 0 200.241 2.411 10 0 BEAERO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336758095 188183753 /nfs/dbraw/zinc/18/37/53/188183753.db2.gz KLYSJHYJJGLUPM-QJPTWQEYSA-N 1 0 217.328 2.121 10 0 BEAERO CC(C)[C@@H]1C[N@H+](C(C)C)[C@H](C(C)C)CN1 ZINC000062570990 188184836 /nfs/dbraw/zinc/18/48/36/188184836.db2.gz RDACHJOGSOMFLH-STQMWFEESA-N 1 0 212.381 2.349 10 0 BEAERO FC(F)c1ccc(C[NH2+]C2COC2)cc1 ZINC000124599979 188189517 /nfs/dbraw/zinc/18/95/17/188189517.db2.gz YXLBRDJUCQJYDH-UHFFFAOYSA-N 1 0 213.227 2.113 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)CC1CCC1 ZINC000638997451 353243716 /nfs/dbraw/zinc/24/37/16/353243716.db2.gz QMJQTRXAQAQCHA-PWSUYJOCSA-N 1 0 226.364 2.055 10 0 BEAERO CSC[C@H](C)NC1=[NH+][C@@H](C)CCS1 ZINC000127845023 353274525 /nfs/dbraw/zinc/27/45/25/353274525.db2.gz LVIGVVIUUHTQPU-YUMQZZPRSA-N 1 0 218.391 2.209 10 0 BEAERO CC(C)([NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000129108008 353309103 /nfs/dbraw/zinc/30/91/03/353309103.db2.gz QMEBEEGLAGPZBZ-SSDOTTSWSA-N 1 0 205.710 2.172 10 0 BEAERO Fc1cc(F)c(N[C@@H]2CCC[NH2+]C2)cc1F ZINC000061093709 180952172 /nfs/dbraw/zinc/95/21/72/180952172.db2.gz QNXADYIPIIFJJZ-SSDOTTSWSA-N 1 0 230.233 2.268 10 0 BEAERO CC(C)(C)[C@](F)(C[NH3+])C1=COCCC1 ZINC000160172717 353374830 /nfs/dbraw/zinc/37/48/30/353374830.db2.gz LLFRHXJYKACOJT-NSHDSACASA-N 1 0 201.285 2.394 10 0 BEAERO Fc1cc(NC2CC[NH2+]CC2)cc(F)c1F ZINC000061099704 180954924 /nfs/dbraw/zinc/95/49/24/180954924.db2.gz KDBBDOVGGXTAOG-UHFFFAOYSA-N 1 0 230.233 2.268 10 0 BEAERO Fc1cc(F)cc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043324348 180955218 /nfs/dbraw/zinc/95/52/18/180955218.db2.gz OJHNSTIJIZNGAO-JTQLQIEISA-N 1 0 212.243 2.129 10 0 BEAERO Fc1cc(F)cc([C@@]2(F)CC[NH2+]C2)c1 ZINC000107143650 180954239 /nfs/dbraw/zinc/95/42/39/180954239.db2.gz PDOGFKRZZSBEGE-SNVBAGLBSA-N 1 0 201.191 2.123 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)c1nc2cccnc2s1 ZINC000165691750 353457854 /nfs/dbraw/zinc/45/78/54/353457854.db2.gz IVVYJUFIHXPHSZ-RNFRBKRXSA-N 1 0 207.302 2.142 10 0 BEAERO CC/C=C/CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000184530308 535232263 /nfs/dbraw/zinc/23/22/63/535232263.db2.gz GYMQXUKAZHKCAJ-OOPCZODUSA-N 1 0 234.347 2.271 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000085789611 491053069 /nfs/dbraw/zinc/05/30/69/491053069.db2.gz NFINELIEMYHCAE-JLLWLGSASA-N 1 0 202.301 2.457 10 0 BEAERO CC1(C)N(O)C(c2ccccc2)[N+](=O)C1(C)C ZINC000002527977 188450330 /nfs/dbraw/zinc/45/03/30/188450330.db2.gz MOKUQZKKYGQOCZ-UHFFFAOYSA-N 1 0 234.299 2.206 10 0 BEAERO COc1ccc(OCC[C@H](C)C[NH3+])cc1 ZINC000041218763 188475464 /nfs/dbraw/zinc/47/54/64/188475464.db2.gz ITMFHROSJWKCJO-JTQLQIEISA-N 1 0 209.289 2.059 10 0 BEAERO C[C@@H](C[NH3+])Nc1cc(F)ccc1Cl ZINC000231814166 353662897 /nfs/dbraw/zinc/66/28/97/353662897.db2.gz JSYQUFUBINRATO-LURJTMIESA-N 1 0 202.660 2.238 10 0 BEAERO CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917141 358480284 /nfs/dbraw/zinc/48/02/84/358480284.db2.gz IJRJQXDDGFQODY-NWDGAFQWSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916823 358479958 /nfs/dbraw/zinc/47/99/58/358479958.db2.gz YBLWQFFCYPOZGU-STQMWFEESA-N 1 0 238.375 2.023 10 0 BEAERO COC[C@@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020305272 353702377 /nfs/dbraw/zinc/70/23/77/353702377.db2.gz YMCLUSGZXPONCZ-LLVKDONJSA-N 1 0 223.316 2.134 10 0 BEAERO CC(C)Cc1noc(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000050928020 188482116 /nfs/dbraw/zinc/48/21/16/188482116.db2.gz MQSNXAMAGVKVGR-NSHDSACASA-N 1 0 237.347 2.343 10 0 BEAERO COc1ccc(NC(=[NH2+])NC(C)C)c(OC)c1 ZINC000052069208 188482621 /nfs/dbraw/zinc/48/26/21/188482621.db2.gz HEANRUWEDDODEO-UHFFFAOYSA-N 1 0 237.303 2.048 10 0 BEAERO CC[C@H](CCC[NH3+])C(=O)N(C)c1ccccc1 ZINC000076616887 188492315 /nfs/dbraw/zinc/49/23/15/188492315.db2.gz CPRZBDRJDBBHBF-GFCCVEGCSA-N 1 0 234.343 2.415 10 0 BEAERO CC(C)[C@@H]1C[N@@H+]([C@H]2CCCC[C@H]2C)CCN1 ZINC000083060045 188497581 /nfs/dbraw/zinc/49/75/81/188497581.db2.gz AHRJNOXBFOJLSG-RDBSUJKOSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1cccc([S@](=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000083308796 188497814 /nfs/dbraw/zinc/49/78/14/188497814.db2.gz PTDYQKIQSYNOKV-WBMJQRKESA-N 1 0 237.368 2.102 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2ccns2)C[C@H](C)O1 ZINC000639136876 353846540 /nfs/dbraw/zinc/84/65/40/353846540.db2.gz XBUZBBOEYXGCJS-UWVGGRQHSA-N 1 0 240.372 2.436 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCOC1 ZINC000343560771 353935178 /nfs/dbraw/zinc/93/51/78/353935178.db2.gz ZLVSFHUAYPEZFU-ITGHMWBKSA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]CC[C@H]2CCOC2)C[C@H](C)O1 ZINC000343653805 353954948 /nfs/dbraw/zinc/95/49/48/353954948.db2.gz FYTVNVQAOHYHTO-CRWXNKLISA-N 1 0 241.375 2.206 10 0 BEAERO [NH3+]Cc1ccccc1CNc1nccs1 ZINC000061841485 188541117 /nfs/dbraw/zinc/54/11/17/188541117.db2.gz FMLCDQBMEPFFJC-UHFFFAOYSA-N 1 0 219.313 2.214 10 0 BEAERO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C(C)(C)O1 ZINC000227321709 491058322 /nfs/dbraw/zinc/05/83/22/491058322.db2.gz PCPJEARLSLQPMJ-TUAOUCFPSA-N 1 0 241.375 2.226 10 0 BEAERO CC1(C)[C@@H](c2ccc(Br)cn2)[C@@H]1[NH3+] ZINC000301031398 363356977 /nfs/dbraw/zinc/35/69/77/363356977.db2.gz UZIRYZKAKKHZHY-IUCAKERBSA-N 1 0 241.132 2.295 10 0 BEAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1ncc(Cl)s1 ZINC000301042206 363369248 /nfs/dbraw/zinc/36/92/48/363369248.db2.gz ZTCUXYGXBGBWPH-IYSWYEEDSA-N 1 0 216.737 2.495 10 0 BEAERO Cc1nnc([C@@H](C)[N@@H+]2CC3(CCC3)C[C@H]2C)[nH]1 ZINC000334645875 354435851 /nfs/dbraw/zinc/43/58/51/354435851.db2.gz PQMYGWOJJRBDTF-NXEZZACHSA-N 1 0 234.347 2.439 10 0 BEAERO CC(C)(C)[C@H]1CCC[C@@]1([NH3+])c1ncc[nH]1 ZINC000521401705 259455378 /nfs/dbraw/zinc/45/53/78/259455378.db2.gz NATQVRRMWWNESM-SKDRFNHKSA-N 1 0 207.321 2.410 10 0 BEAERO COC1(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)CCCCC1 ZINC000334735994 354536837 /nfs/dbraw/zinc/53/68/37/354536837.db2.gz ZVDGYACZYJXNLT-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)=CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334797901 354552356 /nfs/dbraw/zinc/55/23/56/354552356.db2.gz YFCWBCYAGRMWMP-OLZOCXBDSA-N 1 0 221.344 2.454 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(C)nn1C ZINC000233413553 363400504 /nfs/dbraw/zinc/40/05/04/363400504.db2.gz YYIBAJOFTDAOTC-JQWIXIFHSA-N 1 0 207.321 2.007 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000040502185 358493054 /nfs/dbraw/zinc/49/30/54/358493054.db2.gz JIIISOGSMPUZSM-JSGCOSHPSA-N 1 0 233.359 2.217 10 0 BEAERO CCC1(C[N@@H+]2CCC[C@H](O)CC2)CCOCC1 ZINC000335960145 134026350 /nfs/dbraw/zinc/02/63/50/134026350.db2.gz BAUZNWBYMAZHHJ-ZDUSSCGKSA-N 1 0 241.375 2.040 10 0 BEAERO Cc1c2cc(F)ccc2oc1CN[C@@H]1CC[NH2+]C1 ZINC000335193396 355026553 /nfs/dbraw/zinc/02/65/53/355026553.db2.gz IMNNAEUOGRAVKR-LLVKDONJSA-N 1 0 248.301 2.332 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040502462 358493948 /nfs/dbraw/zinc/49/39/48/358493948.db2.gz JELFVAGICDKGQI-UONOGXRCSA-N 1 0 222.376 2.417 10 0 BEAERO NC(=[NH2+])CCN(CC(F)(F)F)c1ccccc1 ZINC000019473955 181186698 /nfs/dbraw/zinc/18/66/98/181186698.db2.gz XEFAUXNVIRHQEP-UHFFFAOYSA-N 1 0 245.248 2.381 10 0 BEAERO NC(=[NH2+])CSc1ccccc1Cl ZINC000019848133 181186735 /nfs/dbraw/zinc/18/67/35/181186735.db2.gz ICKRHXLQGFDVEP-UHFFFAOYSA-N 1 0 200.694 2.368 10 0 BEAERO NC(=[NH2+])CCCOc1cccc(Cl)c1 ZINC000019487945 181186588 /nfs/dbraw/zinc/18/65/88/181186588.db2.gz DQZVFORWFUKEST-UHFFFAOYSA-N 1 0 212.680 2.435 10 0 BEAERO NC(=[NH2+])NCCc1ccc(Cl)c(Cl)c1 ZINC000071535760 181189745 /nfs/dbraw/zinc/18/97/45/181189745.db2.gz IQZDZEIAHGOEHA-UHFFFAOYSA-N 1 0 232.114 2.019 10 0 BEAERO NC(=[NH2+])N1Cc2cccc3cccc(c32)C1 ZINC000027764499 181187988 /nfs/dbraw/zinc/18/79/88/181187988.db2.gz DRBOHEYYZNOJDX-UHFFFAOYSA-N 1 0 211.268 2.049 10 0 BEAERO CCCCC[C@H]([NH2+]C1CCCCC1)C(N)=O ZINC000037969610 168745528 /nfs/dbraw/zinc/74/55/28/168745528.db2.gz UYBYLRPUKIUWOX-LBPRGKRZSA-N 1 0 226.364 2.343 10 0 BEAERO NC(=[NH2+])c1cc(F)ccc1OCc1ccco1 ZINC000104241247 181193609 /nfs/dbraw/zinc/19/36/09/181193609.db2.gz HWSRWCQOLWJMDY-UHFFFAOYSA-N 1 0 234.230 2.282 10 0 BEAERO NC(=[NH2+])Nc1cc(-c2ccccc2)ccn1 ZINC000013436483 181190984 /nfs/dbraw/zinc/19/09/84/181190984.db2.gz LQYVUDQYWIIZAV-UHFFFAOYSA-N 1 0 212.256 2.054 10 0 in-vivo BEAERO NC(=[NH2+])c1cc(Cl)ccc1NC1CC1 ZINC000052860222 181194232 /nfs/dbraw/zinc/19/42/32/181194232.db2.gz LHJGUFRYKKVGIB-UHFFFAOYSA-N 1 0 209.680 2.198 10 0 BEAERO NC(=[NH2+])SCCCOc1ccc(F)cc1 ZINC000071980719 181192617 /nfs/dbraw/zinc/19/26/17/181192617.db2.gz PYDIQWXEDWNAQO-UHFFFAOYSA-N 1 0 228.292 2.221 10 0 BEAERO Cc1nc(C)c(C[C@]2(C)CCC[NH2+]2)s1 ZINC000134343339 355397304 /nfs/dbraw/zinc/39/73/04/355397304.db2.gz TVVOLRVOQURYLU-NSHDSACASA-N 1 0 210.346 2.445 10 0 BEAERO NC(=[NH2+])c1ccc(OCc2ccco2)cc1 ZINC000019866173 181194845 /nfs/dbraw/zinc/19/48/45/181194845.db2.gz HGLYOFQVBNWNHE-UHFFFAOYSA-N 1 0 216.240 2.143 10 0 BEAERO NC(=[NH2+])c1ccc(OCc2ccccn2)c(F)c1 ZINC000062714625 181195082 /nfs/dbraw/zinc/19/50/82/181195082.db2.gz MXUBUENFRSCSFU-UHFFFAOYSA-N 1 0 245.257 2.084 10 0 BEAERO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)C2)C1 ZINC000166446502 355465114 /nfs/dbraw/zinc/46/51/14/355465114.db2.gz RTOSDJAXGVRCPS-GHMZBOCLSA-N 1 0 209.333 2.476 10 0 BEAERO NC(=[NH2+])c1ccccc1COC[C@@H]1CCCCO1 ZINC000019476649 181195817 /nfs/dbraw/zinc/19/58/17/181195817.db2.gz SREJXUJGMMPFMB-LBPRGKRZSA-N 1 0 248.326 2.056 10 0 BEAERO NC(=[NH2+])c1ccccc1COCC(F)(F)F ZINC000019423266 181196099 /nfs/dbraw/zinc/19/60/99/181196099.db2.gz IMLRRYVPGLUXPR-UHFFFAOYSA-N 1 0 232.205 2.050 10 0 BEAERO NC(=[NH2+])c1nccc2ccc(Cl)cc21 ZINC000082768612 181197609 /nfs/dbraw/zinc/19/76/09/181197609.db2.gz MAGMKQAUIPAWBM-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO [NH2+]=C(Nc1ccccc1)n1nnc2ccccc21 ZINC000005331805 181200048 /nfs/dbraw/zinc/20/00/48/181200048.db2.gz UNTIJAVKYJWXEJ-UHFFFAOYSA-N 1 0 237.266 2.326 10 0 BEAERO Clc1cccc(C2(N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000215906510 355596912 /nfs/dbraw/zinc/59/69/12/355596912.db2.gz JBXRSTSLILNSKV-LBPRGKRZSA-N 1 0 236.746 2.281 10 0 BEAERO [NH2+]=C1CCCN1CCc1ccc2c(c1)OCCO2 ZINC000020443974 181206982 /nfs/dbraw/zinc/20/69/82/181206982.db2.gz RVIHCFZZPRUVFW-UHFFFAOYSA-N 1 0 246.310 2.073 10 0 BEAERO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000350705138 355744712 /nfs/dbraw/zinc/74/47/12/355744712.db2.gz YXPKJYBHVINBNT-QJPTWQEYSA-N 1 0 225.332 2.203 10 0 BEAERO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000350705137 355744779 /nfs/dbraw/zinc/74/47/79/355744779.db2.gz YXPKJYBHVINBNT-IJLUTSLNSA-N 1 0 225.332 2.203 10 0 BEAERO [NH2+]=C1c2cc(F)ccc2CN1C[C@@H]1CCCO1 ZINC000071268495 181207703 /nfs/dbraw/zinc/20/77/03/181207703.db2.gz NAHYQHGHQKWTGM-NSHDSACASA-N 1 0 234.274 2.146 10 0 BEAERO OCC1CC([NH2+]CC2C3CC4CC(C3)CC2C4)C1 ZINC000639336003 355768692 /nfs/dbraw/zinc/76/86/92/355768692.db2.gz ZSGTTXLRMAHSGE-UHFFFAOYSA-N 1 0 249.398 2.419 10 0 BEAERO NC(=O)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000037152280 181216333 /nfs/dbraw/zinc/21/63/33/181216333.db2.gz SBDYXQQMHWXWES-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+][C@@H](C1=CCCO1)c1ccncc1Cl ZINC000168449528 355830545 /nfs/dbraw/zinc/83/05/45/355830545.db2.gz QBXRHQXJIPOFAW-SNVBAGLBSA-N 1 0 210.664 2.039 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000389253303 355937079 /nfs/dbraw/zinc/93/70/79/355937079.db2.gz NBMJIGSRIKSJBC-AWEZNQCLSA-N 1 0 248.370 2.193 10 0 BEAERO C[C@H](Cc1ccsc1)[NH2+]Cc1nccn1C ZINC000049182318 355937206 /nfs/dbraw/zinc/93/72/06/355937206.db2.gz FFELPARCCCSPFZ-SNVBAGLBSA-N 1 0 235.356 2.202 10 0 BEAERO CC(C)=CC[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000192314404 355979395 /nfs/dbraw/zinc/97/93/95/355979395.db2.gz KIYNDZKXPIROGP-UONOGXRCSA-N 1 0 217.312 2.201 10 0 BEAERO CC[N@@H+]1CC[C@H](Nc2ncnc3sccc32)C1 ZINC000389268905 355943789 /nfs/dbraw/zinc/94/37/89/355943789.db2.gz QNSYFTFGMRYVJD-VIFPVBQESA-N 1 0 248.355 2.197 10 0 BEAERO CCCCN(C(=O)n1cc[n+](C)c1)[C@@H](C)CC ZINC000042609587 168757303 /nfs/dbraw/zinc/75/73/03/168757303.db2.gz LWWSVSOBOJQNAP-LBPRGKRZSA-N 1 0 238.355 2.181 10 0 BEAERO CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]2CCCO)C1 ZINC000639471169 356260630 /nfs/dbraw/zinc/26/06/30/356260630.db2.gz WGWHHMWIGRKYFW-STQMWFEESA-N 1 0 241.375 2.038 10 0 BEAERO CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H]2CCCO)C1 ZINC000639471168 356260745 /nfs/dbraw/zinc/26/07/45/356260745.db2.gz WGWHHMWIGRKYFW-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1cccs1 ZINC000041672071 181265236 /nfs/dbraw/zinc/26/52/36/181265236.db2.gz KUPUQSIHFPTQGL-NSHDSACASA-N 1 0 238.356 2.197 10 0 BEAERO [NH3+][C@H](Cc1ccoc1)[C@@H]1CCCCS1 ZINC000131730592 356415552 /nfs/dbraw/zinc/41/55/52/356415552.db2.gz QXWIEJJNJYJGEJ-MNOVXSKESA-N 1 0 211.330 2.435 10 0 BEAERO C/C(=C/Cl)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396559810 356482302 /nfs/dbraw/zinc/48/23/02/356482302.db2.gz SICRBWAWPUGVNI-RDOCRHDPSA-N 1 0 203.713 2.286 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2ccc(Cl)s2)O1 ZINC000035286465 356474730 /nfs/dbraw/zinc/47/47/30/356474730.db2.gz SHDWLCJZQZRVPB-RNFRBKRXSA-N 1 0 217.721 2.451 10 0 BEAERO CCN1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000336189972 134123148 /nfs/dbraw/zinc/12/31/48/134123148.db2.gz ZQXGCUUSGLTMEC-GFCCVEGCSA-N 1 0 246.345 2.449 10 0 BEAERO Cc1nc(C)c(C[N@H+]2C[C@@H](O)CC[C@@H]2C)s1 ZINC000421003677 192298089 /nfs/dbraw/zinc/29/80/89/192298089.db2.gz COEGBDFEZHFWNX-KWQFWETISA-N 1 0 240.372 2.105 10 0 BEAERO [NH3+]C[C@H]1CCCN1Cc1cscc1Cl ZINC000306400322 491097626 /nfs/dbraw/zinc/09/76/26/491097626.db2.gz NESXZYBZDKCQPH-SECBINFHSA-N 1 0 230.764 2.325 10 0 BEAERO CC(C)[C@@H]1CCc2nc(CC[NH3+])sc2C1 ZINC000054556824 538471299 /nfs/dbraw/zinc/47/12/99/538471299.db2.gz SELMYNGSGVACBB-SECBINFHSA-N 1 0 224.373 2.405 10 0 BEAERO Cc1ccc([C@H]2C[C@H]([NH3+])CCN2C)cc1F ZINC000675055458 538475912 /nfs/dbraw/zinc/47/59/12/538475912.db2.gz STKLGMBJIWJYFK-DGCLKSJQSA-N 1 0 222.307 2.228 10 0 BEAERO CCN1CC[C@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000675055733 538476572 /nfs/dbraw/zinc/47/65/72/538476572.db2.gz XCRZSIVFQRADFW-STQMWFEESA-N 1 0 222.307 2.310 10 0 BEAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000122738884 363536481 /nfs/dbraw/zinc/53/64/81/363536481.db2.gz AMICGSUQDCZHIE-VXGBXAGGSA-N 1 0 240.391 2.317 10 0 BEAERO COc1nscc1[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000675059513 538484450 /nfs/dbraw/zinc/48/44/50/538484450.db2.gz QRSKRXJRXVHEOK-CBAPKCEASA-N 1 0 212.318 2.355 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])c1nnc(C(C)(C)C)[nH]1 ZINC000675061024 538486722 /nfs/dbraw/zinc/48/67/22/538486722.db2.gz WFHVNYOCBMJLJC-SFYZADRCSA-N 1 0 210.325 2.148 10 0 BEAERO CC(C)(C)[C@H]([NH3+])c1nnc(C2CCC2)[nH]1 ZINC000675060980 538487034 /nfs/dbraw/zinc/48/70/34/538487034.db2.gz UFMGKAUKENZUBS-MRVPVSSYSA-N 1 0 208.309 2.118 10 0 BEAERO Cc1cn2c(n1)[C@@H](c1ccccc1)[NH2+]CCC2 ZINC000675068696 538497027 /nfs/dbraw/zinc/49/70/27/538497027.db2.gz RUQNBBJUCBFONX-CYBMUJFWSA-N 1 0 227.311 2.274 10 0 BEAERO CCC(O)(CC)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000162996492 202134418 /nfs/dbraw/zinc/13/44/18/202134418.db2.gz YNDZRGDBZUJXEL-NSHDSACASA-N 1 0 229.364 2.037 10 0 BEAERO C[C@H]([NH3+])[C@@H]1COc2ccc(Cl)c(F)c2C1 ZINC000675063478 538490152 /nfs/dbraw/zinc/49/01/52/538490152.db2.gz FWIBTHZVCHTERR-BQBZGAKWSA-N 1 0 229.682 2.377 10 0 BEAERO CCN1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389421817 356656942 /nfs/dbraw/zinc/65/69/42/356656942.db2.gz VORQFCKPMIDUPW-WUKHSURWSA-N 1 0 230.355 2.384 10 0 BEAERO CCCc1cn2c(n1)C1(CCC1)[NH2+]CCC2 ZINC000675067426 538494424 /nfs/dbraw/zinc/49/44/24/538494424.db2.gz CZOBQHGYNWSASY-UHFFFAOYSA-N 1 0 219.332 2.208 10 0 BEAERO CC[C@H](C)[C@@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675067787 538494997 /nfs/dbraw/zinc/49/49/97/538494997.db2.gz JKKRPTPXWIHLBU-ONGXEEELSA-N 1 0 207.321 2.272 10 0 BEAERO CCC[C@@H]1[NH2+]CCCn2cc(CC)nc21 ZINC000675068223 538495618 /nfs/dbraw/zinc/49/56/18/538495618.db2.gz NSKUQFLFLDQBPI-NSHDSACASA-N 1 0 207.321 2.280 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(OC)ns1 ZINC000399097634 366323987 /nfs/dbraw/zinc/32/39/87/366323987.db2.gz ZGCGAPVZSNDNEX-WCBMZHEXSA-N 1 0 226.345 2.430 10 0 BEAERO COc1nc2c(C)ccc(F)c2cc1C[NH3+] ZINC000675070089 538500277 /nfs/dbraw/zinc/50/02/77/538500277.db2.gz PIPNHARHEHYXCP-UHFFFAOYSA-N 1 0 220.247 2.150 10 0 BEAERO Cc1cc([C@H]([NH3+])c2ccccn2)cs1 ZINC000083450955 538500503 /nfs/dbraw/zinc/50/05/03/538500503.db2.gz QIENKIYLPZKICD-NSHDSACASA-N 1 0 204.298 2.500 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2cccc(C)c2F)C1 ZINC000389448335 356673527 /nfs/dbraw/zinc/67/35/27/356673527.db2.gz PNLVJYYGWUSMJO-ZDUSSCGKSA-N 1 0 236.334 2.318 10 0 BEAERO COc1ncccc1[C@H]1CCC[C@H](C)[NH2+]1 ZINC000675072297 538502637 /nfs/dbraw/zinc/50/26/37/538502637.db2.gz BFLOLNUPNRBJNJ-GXSJLCMTSA-N 1 0 206.289 2.293 10 0 BEAERO CC(C)NC(=O)NCCCC1([NH3+])CCCCC1 ZINC000675072682 538504081 /nfs/dbraw/zinc/50/40/81/538504081.db2.gz CLPWUMAPBQESMU-UHFFFAOYSA-N 1 0 241.379 2.136 10 0 BEAERO [NH3+]C1(CCCNC(=O)CC2CC2)CCCCC1 ZINC000675074536 538507514 /nfs/dbraw/zinc/50/75/14/538507514.db2.gz YUIRDGJLLDBMNZ-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO CCC(CC)[NH2+]Cc1c(OC)nsc1OC ZINC000675076151 538510114 /nfs/dbraw/zinc/51/01/14/538510114.db2.gz ZQZZRWHFOOOOKH-UHFFFAOYSA-N 1 0 244.360 2.439 10 0 BEAERO CC[N@@H+]1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000389428902 356667510 /nfs/dbraw/zinc/66/75/10/356667510.db2.gz XOVVVAUBRTVVSQ-NSHDSACASA-N 1 0 242.326 2.136 10 0 BEAERO COc1cc(C)c2nc(OC)c(C[NH3+])cc2c1 ZINC000675068969 538497508 /nfs/dbraw/zinc/49/75/08/538497508.db2.gz ADCPHEWVHWTGJA-UHFFFAOYSA-N 1 0 232.283 2.019 10 0 BEAERO CC(C)CCc1nc2c(s1)C[NH2+]CC2 ZINC000053335710 356667951 /nfs/dbraw/zinc/66/79/51/356667951.db2.gz XXVPYGFJPVKMCQ-UHFFFAOYSA-N 1 0 210.346 2.377 10 0 BEAERO CC[C@H](C[NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000083564253 538514049 /nfs/dbraw/zinc/51/40/49/538514049.db2.gz GGKGFHDQMAGMOJ-MUWHJKNJSA-N 1 0 219.737 2.420 10 0 BEAERO CCn1ncc2c1[C@@H]1CCCC[C@@H]1[NH2+]C2 ZINC000675081780 538522511 /nfs/dbraw/zinc/52/25/11/538522511.db2.gz LLQSTTIFLIUZLA-MNOVXSKESA-N 1 0 205.305 2.032 10 0 BEAERO CC(C)CC[NH2+]CCN1C[C@@H]2CCC[C@@H]2C1 ZINC000126581041 538533577 /nfs/dbraw/zinc/53/35/77/538533577.db2.gz QESKYQWFYFAFKQ-OKILXGFUSA-N 1 0 224.392 2.354 10 0 BEAERO C[C@@H](C[NH3+])[C@H](O)c1cc(Cl)cs1 ZINC000086335017 538553793 /nfs/dbraw/zinc/55/37/93/538553793.db2.gz PXHOGNBZCPHOGQ-XNCJUZBTSA-N 1 0 205.710 2.030 10 0 BEAERO C[C@H](C(=O)c1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000086499757 538556005 /nfs/dbraw/zinc/55/60/05/538556005.db2.gz SSSIYZOYLJIUGV-UWVGGRQHSA-N 1 0 207.273 2.241 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000086499519 538556230 /nfs/dbraw/zinc/55/62/30/538556230.db2.gz JXCQEZMQQHWSTD-NSHDSACASA-N 1 0 207.248 2.151 10 0 BEAERO Cc1ccccc1C(=O)C[C@H]1CCC[NH2+]1 ZINC000086499566 538556397 /nfs/dbraw/zinc/55/63/97/538556397.db2.gz BTTWEDCUUMFGEW-LLVKDONJSA-N 1 0 203.285 2.320 10 0 BEAERO C[C@H]1CCC[C@@H](CC(=O)c2cncs2)[NH2+]1 ZINC000130392252 538590383 /nfs/dbraw/zinc/59/03/83/538590383.db2.gz BFFOEBGGWYLZAB-IUCAKERBSA-N 1 0 224.329 2.247 10 0 BEAERO Cc1cccc(C(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000093487490 538600433 /nfs/dbraw/zinc/60/04/33/538600433.db2.gz OUDPWCPKVCLBQR-GFCCVEGCSA-N 1 0 203.285 2.320 10 0 BEAERO COCc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000088567780 356740889 /nfs/dbraw/zinc/74/08/89/356740889.db2.gz DOHWSWADJOSJIF-CABCVRRESA-N 1 0 249.354 2.226 10 0 BEAERO CCOC(=O)c1nc([C@H]2CCC[NH2+]2)sc1C ZINC000166503055 538727486 /nfs/dbraw/zinc/72/74/86/538727486.db2.gz MFOQNOWMRDBMBF-MRVPVSSYSA-N 1 0 240.328 2.053 10 0 BEAERO c1coc(C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000020137712 356998444 /nfs/dbraw/zinc/99/84/44/356998444.db2.gz IAJZNWNSVDETPX-GFCCVEGCSA-N 1 0 245.278 2.209 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000389545595 356986670 /nfs/dbraw/zinc/98/66/70/356986670.db2.gz LYJPZKVNPJGQTN-AWEZNQCLSA-N 1 0 243.354 2.352 10 0 BEAERO CC(C)([NH3+])C(=O)c1sccc1Br ZINC000168665920 356991891 /nfs/dbraw/zinc/99/18/91/356991891.db2.gz RITZSXDBRMKEIM-UHFFFAOYSA-N 1 0 248.145 2.431 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(Br)cn1 ZINC000129928765 357049524 /nfs/dbraw/zinc/04/95/24/357049524.db2.gz GKJJDCZMJQUJAJ-ZQARSLAVSA-N 1 0 241.132 2.295 10 0 BEAERO CC1(C)C[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000389620462 357004000 /nfs/dbraw/zinc/00/40/00/357004000.db2.gz ILWYATFUPTUMGV-RYUDHWBXSA-N 1 0 211.349 2.316 10 0 BEAERO CC1(C[NH2+]C[C@@H]2CCCn3ccnc32)CC1 ZINC000390449768 357093711 /nfs/dbraw/zinc/09/37/11/357093711.db2.gz ZDIGBASLAHOGSC-NSHDSACASA-N 1 0 219.332 2.150 10 0 BEAERO CCNC(=[NH2+])[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300024615 357172340 /nfs/dbraw/zinc/17/23/40/357172340.db2.gz GJVNEHWJKZAJDN-CSMHCCOUSA-N 1 0 218.391 2.199 10 0 BEAERO CC[C@@H]([NH3+])[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300022591 357172596 /nfs/dbraw/zinc/17/25/96/357172596.db2.gz BAGHFJKUKZIHPI-MAUMQABQSA-N 1 0 205.392 2.349 10 0 BEAERO Cc1cc(C[NH2+]CC[C@H]2CCCO2)ccn1 ZINC000391135719 357123029 /nfs/dbraw/zinc/12/30/29/357123029.db2.gz PDEUWLLDYXFIHC-CYBMUJFWSA-N 1 0 220.316 2.049 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccnc1C ZINC000123443000 357226982 /nfs/dbraw/zinc/22/69/82/357226982.db2.gz AAGNXMJQBLQPMJ-OAHLLOKOSA-N 1 0 247.386 2.306 10 0 BEAERO C[NH2+]C[C@H]1C[C@H]1c1ccc(Br)cn1 ZINC000130095558 357287167 /nfs/dbraw/zinc/28/71/67/357287167.db2.gz KAFIEWCXBYAHGW-VXNVDRBHSA-N 1 0 241.132 2.167 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]CC1(F)CC1 ZINC000393614301 357290066 /nfs/dbraw/zinc/29/00/66/357290066.db2.gz USBLVIZODVFIPE-QWRGUYRKSA-N 1 0 215.312 2.139 10 0 BEAERO C[C@@H]1CC(C[NH2+]CC2(F)CC2)C[C@@H](C)O1 ZINC000393620260 357290331 /nfs/dbraw/zinc/29/03/31/357290331.db2.gz PRACVQXGBQEHHQ-NXEZZACHSA-N 1 0 215.312 2.282 10 0 BEAERO [NH3+][C@H]1c2cc(Cl)ccc2CCC[C@H]1O ZINC000039941514 491110690 /nfs/dbraw/zinc/11/06/90/491110690.db2.gz LTOASGHNLCUQCF-MNOVXSKESA-N 1 0 211.692 2.037 10 0 BEAERO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000397269426 357510037 /nfs/dbraw/zinc/51/00/37/357510037.db2.gz NBUXOBPWTVGREW-MDZLAQPJSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@H]1C[N@H+](C[C@H](O)CC2CCCC2)CCS1 ZINC000188642672 357570369 /nfs/dbraw/zinc/57/03/69/357570369.db2.gz PYPQHCFLHSHMEL-WCQYABFASA-N 1 0 243.416 2.365 10 0 BEAERO C[C@@H]([NH3+])c1cncn1Cc1cccs1 ZINC000130107012 357518138 /nfs/dbraw/zinc/51/81/38/357518138.db2.gz GJSLAECBGNOOBE-MRVPVSSYSA-N 1 0 207.302 2.013 10 0 BEAERO COC(C)(C)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000230414419 357522279 /nfs/dbraw/zinc/52/22/79/357522279.db2.gz HDSLCWQEBYJLGZ-GFCCVEGCSA-N 1 0 229.364 2.038 10 0 BEAERO CC[C@H](C)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000188705367 357565252 /nfs/dbraw/zinc/56/52/52/357565252.db2.gz GIVIFJVZDPMCTR-STQMWFEESA-N 1 0 240.391 2.365 10 0 BEAERO Cc1cnc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000231525260 357609058 /nfs/dbraw/zinc/60/90/58/357609058.db2.gz RVADKEMFZHADDY-YNEHKIRRSA-N 1 0 249.358 2.260 10 0 BEAERO CC(C)[C@@H]1CC(=O)CN1Cc1ccccc1 ZINC000685939325 538886352 /nfs/dbraw/zinc/88/63/52/538886352.db2.gz WYLPOMVDDGPWIQ-AWEZNQCLSA-N 1 0 217.312 2.486 10 0 BEAERO O[C@@H](c1ccccc1)C12CCC(CC1)[NH2+]2 ZINC000685939351 538886568 /nfs/dbraw/zinc/88/65/68/538886568.db2.gz PJXCODZKIRVCRE-CPCZMJQVSA-N 1 0 203.285 2.005 10 0 BEAERO Cc1c(C[NH2+]C2CC2)ccc2c1OCCO2 ZINC000685947124 538888627 /nfs/dbraw/zinc/88/86/27/538888627.db2.gz JGRPMPAEXCUONW-UHFFFAOYSA-N 1 0 219.284 2.018 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CCS1 ZINC000232145557 357652930 /nfs/dbraw/zinc/65/29/30/357652930.db2.gz PYPQHCFLHSHMEL-AAEUAGOBSA-N 1 0 243.416 2.365 10 0 BEAERO CC(C)[C@@H](C)C(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947199 538888828 /nfs/dbraw/zinc/88/88/28/538888828.db2.gz GMPRFQYGYQGPQF-XSRFYTQQSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@]1([NH3+])CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC000685948089 538890373 /nfs/dbraw/zinc/89/03/73/538890373.db2.gz XENFRVJUZZSWTQ-DGCLKSJQSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)(C)OC(=O)C1([C@H]2CCC[NH2+]C2)CC1 ZINC000685948586 538891073 /nfs/dbraw/zinc/89/10/73/538891073.db2.gz CGXUNHDOIZJDBZ-JTQLQIEISA-N 1 0 225.332 2.108 10 0 BEAERO [NH3+]C[C@@H]1Cc2ccccc2O[C@@H]1C(F)(F)F ZINC000685948842 538891619 /nfs/dbraw/zinc/89/16/19/538891619.db2.gz DOGAVBYZCFOQQX-WPRPVWTQSA-N 1 0 231.217 2.127 10 0 BEAERO [NH3+][C@H]1C[C@]12CC=C(c1cccnc1)CC2 ZINC000685950633 538893863 /nfs/dbraw/zinc/89/38/63/538893863.db2.gz VDOBYMQAMCVSKD-QWHCGFSZSA-N 1 0 200.285 2.366 10 0 BEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]CCC(C)C ZINC000190785741 357731024 /nfs/dbraw/zinc/73/10/24/357731024.db2.gz ZEVHOEUKGVIAMB-NSHDSACASA-N 1 0 236.363 2.311 10 0 BEAERO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C)C1 ZINC000050577319 357737667 /nfs/dbraw/zinc/73/76/67/357737667.db2.gz VBZFAFOXZXHGSL-CQSZACIVSA-N 1 0 236.334 2.318 10 0 BEAERO CC[C@H]([NH2+]CC1CC(O)C1)[C@@H]1CC1(C)C ZINC000397850636 357738003 /nfs/dbraw/zinc/73/80/03/357738003.db2.gz VZGWEXKYHDDXBQ-QQFIATSDSA-N 1 0 211.349 2.172 10 0 BEAERO Cn1c(C[NH2+][C@H]2CCCC2(C)C)nnc1C1CC1 ZINC000191303901 357765427 /nfs/dbraw/zinc/76/54/27/357765427.db2.gz VXNPTHJWTLBIMS-NSHDSACASA-N 1 0 248.374 2.361 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)C1CCOCC1 ZINC000235525099 357876355 /nfs/dbraw/zinc/87/63/55/357876355.db2.gz XIKDXVGSMRFORG-YUTCNCBUSA-N 1 0 241.375 2.085 10 0 BEAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](C)O)C2)cc1 ZINC000192984599 357863573 /nfs/dbraw/zinc/86/35/73/357863573.db2.gz ZAVOOUUZDMYYEF-YRGRVCCFSA-N 1 0 249.354 2.254 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000191106715 535371210 /nfs/dbraw/zinc/37/12/10/535371210.db2.gz GZZUIBMNGGCAAQ-UPJWGTAASA-N 1 0 209.333 2.500 10 0 BEAERO CCCC[N@H+](C)C[C@@H](O)c1ccc(F)c(N)c1 ZINC000098126599 168775487 /nfs/dbraw/zinc/77/54/87/168775487.db2.gz UTYDNIHCBTUODL-CYBMUJFWSA-N 1 0 240.322 2.173 10 0 BEAERO COCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000037762947 358093984 /nfs/dbraw/zinc/09/39/84/358093984.db2.gz HWSYQWHHCGRDLQ-HUUCEWRRSA-N 1 0 249.354 2.226 10 0 BEAERO [NH3+]C(CO)(Cc1ccccc1)Cc1ccccc1 ZINC000038124445 358117346 /nfs/dbraw/zinc/11/73/46/358117346.db2.gz DBSGZHRMICVWDQ-UHFFFAOYSA-N 1 0 241.334 2.162 10 0 BEAERO C1=C[C@H]([N@@H+]2CCCN(C3CC3)CC2)CCC1 ZINC000172190716 134262696 /nfs/dbraw/zinc/26/26/96/134262696.db2.gz GSPLWISAKUUMDX-ZDUSSCGKSA-N 1 0 220.360 2.265 10 0 BEAERO C[NH2+]CC(O)(c1ccccc1)c1ccccc1 ZINC000039246774 358224471 /nfs/dbraw/zinc/22/44/71/358224471.db2.gz ATSMNDHWRPANQD-UHFFFAOYSA-N 1 0 227.307 2.142 10 0 BEAERO C[C@H](C1CCC1)N(Cc1ccccc1)C(=O)C[NH3+] ZINC000584590850 358248828 /nfs/dbraw/zinc/24/88/28/358248828.db2.gz BPJYLYGQJSOGLV-GFCCVEGCSA-N 1 0 246.354 2.163 10 0 BEAERO CCCCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000172237839 134264625 /nfs/dbraw/zinc/26/46/25/134264625.db2.gz YGPPWBWEJJNKBW-UHFFFAOYSA-N 1 0 210.365 2.347 10 0 BEAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000172270602 134265045 /nfs/dbraw/zinc/26/50/45/134265045.db2.gz PKZGVKALIOORDF-CQSZACIVSA-N 1 0 249.358 2.363 10 0 BEAERO CCc1c(C)[nH]c2c1C(=O)C[C@@H](CC[NH2+]C)C2 ZINC000039319608 358222099 /nfs/dbraw/zinc/22/20/99/358222099.db2.gz ZSJMJMPDZQLANV-JTQLQIEISA-N 1 0 234.343 2.240 10 0 BEAERO CC(C)([NH3+])Cc1c(F)cc(F)cc1F ZINC000584595034 358252026 /nfs/dbraw/zinc/25/20/26/358252026.db2.gz VMVFHBZSKMDYIF-UHFFFAOYSA-N 1 0 203.207 2.384 10 0 BEAERO COC(=O)c1ccc([C@@H]2CCCC[NH2+]2)cc1F ZINC000584597196 358254448 /nfs/dbraw/zinc/25/44/48/358254448.db2.gz KHGWMCHBTVWSTF-LBPRGKRZSA-N 1 0 237.274 2.427 10 0 BEAERO CC[N@H+](CCO)C12CC3CC(CC(C3)C1)C2 ZINC000584601611 358258594 /nfs/dbraw/zinc/25/85/94/358258594.db2.gz CXOUUROFIKWLFF-UHFFFAOYSA-N 1 0 223.360 2.269 10 0 BEAERO CO[C@H]1CC[C@@H](O)[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000584601499 358258692 /nfs/dbraw/zinc/25/86/92/358258692.db2.gz UECYQGJGBBYHMA-RRFJBIMHSA-N 1 0 249.354 2.047 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1Cc1cnc2ccccc2n1 ZINC000584601450 358258939 /nfs/dbraw/zinc/25/89/39/358258939.db2.gz UNFMCJAJJNKPFW-CMPLNLGQSA-N 1 0 227.311 2.300 10 0 BEAERO C[N@@H+]1CC[C@H]([C@@]2(O)CCCc3ccccc32)C1 ZINC000584620330 358287354 /nfs/dbraw/zinc/28/73/54/358287354.db2.gz AAWPKDIOJDKYEX-ZFWWWQNUSA-N 1 0 231.339 2.162 10 0 BEAERO O=C(N[C@@H]1CCCC[NH2+]1)OCc1ccccc1 ZINC000584627076 358296642 /nfs/dbraw/zinc/29/66/42/358296642.db2.gz GBXBJHOAWMQCSY-GFCCVEGCSA-N 1 0 234.299 2.012 10 0 BEAERO C[C@H]1C[NH2+]Cc2c(-c3ccc(F)cc3)cnn21 ZINC000584648825 358303573 /nfs/dbraw/zinc/30/35/73/358303573.db2.gz UKGXSEFKWZSIBF-VIFPVBQESA-N 1 0 231.274 2.353 10 0 BEAERO CCOc1cc2c(cc1O)C=N[C@H](C)C2 ZINC000584640196 358326201 /nfs/dbraw/zinc/32/62/01/358326201.db2.gz GVXRGEYVIDBOQF-MRVPVSSYSA-N 1 0 205.257 2.154 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000228268866 358372096 /nfs/dbraw/zinc/37/20/96/358372096.db2.gz QIDOTBPHQDWXQR-UWVGGRQHSA-N 1 0 244.342 2.476 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@H](C)C(C)C ZINC000227893247 358365092 /nfs/dbraw/zinc/36/50/92/358365092.db2.gz FSLPSSFZOCWQBZ-QWHCGFSZSA-N 1 0 231.380 2.046 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]CC(C)(C)CC ZINC000227897794 358365924 /nfs/dbraw/zinc/36/59/24/358365924.db2.gz HNLCDVUAFGNHCG-GFCCVEGCSA-N 1 0 231.380 2.190 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C[C@H]1C ZINC000392945107 259480033 /nfs/dbraw/zinc/48/00/33/259480033.db2.gz RQJAVDXUPAPMIC-NJMOYASZSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000392941788 259480035 /nfs/dbraw/zinc/48/00/35/259480035.db2.gz PXJYNBKDIWNSIA-KSSYENDESA-N 1 0 238.375 2.068 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]CCC1=CCCC1 ZINC000228672817 358382948 /nfs/dbraw/zinc/38/29/48/358382948.db2.gz RPXYAGAVSVKXSG-AWEZNQCLSA-N 1 0 241.375 2.254 10 0 BEAERO COC[C@H](C)C[NH2+]CCCc1ccccc1 ZINC000044478368 358388334 /nfs/dbraw/zinc/38/83/34/358388334.db2.gz AUIRFSCLZKECSN-CYBMUJFWSA-N 1 0 221.344 2.491 10 0 BEAERO c1cc2ncnc(NCC3CC[NH2+]CC3)c2s1 ZINC000044509226 358388810 /nfs/dbraw/zinc/38/88/10/358388810.db2.gz UTVZUVIWYLDPEG-UHFFFAOYSA-N 1 0 248.355 2.103 10 0 BEAERO CC(C)c1cc(NCC2CC[NH2+]CC2)ncn1 ZINC000044509307 358388915 /nfs/dbraw/zinc/38/89/15/358388915.db2.gz WYVOEMFIWLOAIY-UHFFFAOYSA-N 1 0 234.347 2.012 10 0 BEAERO CC(C)[C@H]([NH3+])CC[NH2+]C(C1CC1)C1CC1 ZINC000129237262 491133300 /nfs/dbraw/zinc/13/33/00/491133300.db2.gz DFCAFRHUWZNQAG-GFCCVEGCSA-N 1 0 210.365 2.138 10 0 BEAERO CC1(C)CCC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000126471675 358550183 /nfs/dbraw/zinc/55/01/83/358550183.db2.gz GNJQMLJETYFFPI-GFCCVEGCSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(C)o1 ZINC000175034759 134284498 /nfs/dbraw/zinc/28/44/98/134284498.db2.gz UFDOKEMNNPUMAC-CHWSQXEVSA-N 1 0 249.358 2.042 10 0 BEAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000130457782 358626713 /nfs/dbraw/zinc/62/67/13/358626713.db2.gz RBMZQQWPQHKDCD-MXWKQRLJSA-N 1 0 243.372 2.103 10 0 BEAERO CCc1nc(CC[NH2+][C@@H](C)[C@H](C)CC)no1 ZINC000129289906 358585671 /nfs/dbraw/zinc/58/56/71/358585671.db2.gz DNWDEPHGZUFWIA-ZJUUUORDSA-N 1 0 225.336 2.199 10 0 BEAERO CC1(C)CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000129447180 358586419 /nfs/dbraw/zinc/58/64/19/358586419.db2.gz REOVOBHDJFKZGP-MCIGGMRASA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000130873689 358650687 /nfs/dbraw/zinc/65/06/87/358650687.db2.gz GVEROQBXUHZDIB-GHMZBOCLSA-N 1 0 236.363 2.310 10 0 BEAERO COc1ccc([C@H]2C[NH2+]CC2(C)C)cc1OC ZINC000211483585 358697012 /nfs/dbraw/zinc/69/70/12/358697012.db2.gz KICKUSIXAKBFLG-LLVKDONJSA-N 1 0 235.327 2.417 10 0 BEAERO COCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052011959 358771042 /nfs/dbraw/zinc/77/10/42/358771042.db2.gz GBCFZEXAEYEURJ-CQSZACIVSA-N 1 0 237.318 2.479 10 0 BEAERO CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)o1 ZINC000051721976 358760346 /nfs/dbraw/zinc/76/03/46/358760346.db2.gz COWNTULAOAGMEN-GWCFXTLKSA-N 1 0 223.316 2.499 10 0 BEAERO CC(C)[C@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1 ZINC000050395350 358726566 /nfs/dbraw/zinc/72/65/66/358726566.db2.gz JZPXWTBERVMVTH-KBPBESRZSA-N 1 0 246.354 2.252 10 0 BEAERO CC(C)NC(=O)CC[N@H+](C)C(C1CC1)C1CC1 ZINC000050988798 358740170 /nfs/dbraw/zinc/74/01/70/358740170.db2.gz ZJHSBWVRWHAPQD-UHFFFAOYSA-N 1 0 238.375 2.022 10 0 BEAERO CC(C)[C@@H]1CC[N@H+](CC(=O)c2cccn2C)C1 ZINC000134982249 358813937 /nfs/dbraw/zinc/81/39/37/358813937.db2.gz FYMSSUOGPIYXAQ-GFCCVEGCSA-N 1 0 234.343 2.186 10 0 BEAERO CC[C@@H]1CCCCC[N@@H+]1Cc1nccc(N)n1 ZINC000135094614 358820069 /nfs/dbraw/zinc/82/00/69/358820069.db2.gz UTDKWAYZYCYNLD-LLVKDONJSA-N 1 0 234.347 2.213 10 0 BEAERO CC(C)[C@H]([NH2+][C@@H]1CCOC1)c1cccnc1 ZINC000134009431 358775250 /nfs/dbraw/zinc/77/52/50/358775250.db2.gz FFCZFQDSZXFOMA-OLZOCXBDSA-N 1 0 220.316 2.157 10 0 BEAERO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000133991563 358775355 /nfs/dbraw/zinc/77/53/55/358775355.db2.gz KMTKUWKINMGDLA-VHSXEESVSA-N 1 0 226.295 2.296 10 0 BEAERO CC(C)[C@@H]([NH2+][C@@H]1CCOC1)c1cccnc1 ZINC000134009630 358775632 /nfs/dbraw/zinc/77/56/32/358775632.db2.gz FFCZFQDSZXFOMA-CHWSQXEVSA-N 1 0 220.316 2.157 10 0 BEAERO Cc1cc(CN2CC[C@@H]([NH+](C)C)C2)cc(C)c1O ZINC000134181567 358781857 /nfs/dbraw/zinc/78/18/57/358781857.db2.gz XIOQPFYPGLTLHH-CQSZACIVSA-N 1 0 248.370 2.145 10 0 BEAERO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)[C@@H]1CCCO1 ZINC000053343424 358824914 /nfs/dbraw/zinc/82/49/14/358824914.db2.gz LCXOKOPDQQDYOS-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[C@H](C)C[NH2+]C1(CC(=O)OC)CCC1 ZINC000134415242 358789453 /nfs/dbraw/zinc/78/94/53/358789453.db2.gz OJANBOOAXAJGGT-NSHDSACASA-N 1 0 227.348 2.498 10 0 BEAERO CN(Cc1ccc(F)cc1)Cc1cccnc1N ZINC000052731579 358791413 /nfs/dbraw/zinc/79/14/13/358791413.db2.gz TYBLMGRRQGIEPN-UHFFFAOYSA-N 1 0 245.301 2.435 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000052762294 358792252 /nfs/dbraw/zinc/79/22/52/358792252.db2.gz KFXZEQYBQCPDKQ-HNNXBMFYSA-N 1 0 233.355 2.466 10 0 BEAERO C[C@@H]1OCC[C@H]1S[C@@H]1CCCC[NH2+]C1 ZINC000300335468 358962543 /nfs/dbraw/zinc/96/25/43/358962543.db2.gz CPQHURVRWNMLRT-HBNTYKKESA-N 1 0 215.362 2.039 10 0 BEAERO Nc1c[nH+]ccc1NCCc1ccccc1 ZINC000001847406 358970750 /nfs/dbraw/zinc/97/07/50/358970750.db2.gz GTPRIIRYAKHRTI-UHFFFAOYSA-N 1 0 213.284 2.318 10 0 BEAERO c1cc(C[NH2+][C@H]2CCc3ccccc32)on1 ZINC000220155418 134300993 /nfs/dbraw/zinc/30/09/93/134300993.db2.gz JRLGVQPFKORIQG-ZDUSSCGKSA-N 1 0 214.268 2.452 10 0 BEAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1cccc(O)c1 ZINC000396637446 358942499 /nfs/dbraw/zinc/94/24/99/358942499.db2.gz AKIAJWFKZSFLDV-MJVIPROJSA-N 1 0 234.343 2.183 10 0 BEAERO CC1([NH2+]Cc2ncccc2Br)CC1 ZINC000306159025 358955035 /nfs/dbraw/zinc/95/50/35/358955035.db2.gz KYUKHDYBIAAMLU-UHFFFAOYSA-N 1 0 241.132 2.486 10 0 BEAERO C[C@@H]1CSC(N[C@@H]2CCSC2)=[NH+][C@H]1C ZINC000299968623 358958325 /nfs/dbraw/zinc/95/83/25/358958325.db2.gz OAGCPNKXBCYSLR-HRDYMLBCSA-N 1 0 230.402 2.209 10 0 BEAERO CCN(Cc1ccccc1)C[C@H](C)[NH2+]C ZINC000054077066 359002761 /nfs/dbraw/zinc/00/27/61/359002761.db2.gz UVTQRYLGMXSYDD-LBPRGKRZSA-N 1 0 206.333 2.116 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ccc(C(F)(F)F)cn1 ZINC000070463589 359056388 /nfs/dbraw/zinc/05/63/88/359056388.db2.gz AOQJSBDSDRJVTR-VIFPVBQESA-N 1 0 247.264 2.496 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC(C)(C)C)C1 ZINC000246805550 359166609 /nfs/dbraw/zinc/16/66/09/359166609.db2.gz DDRLQCLSRDGNOQ-NWDGAFQWSA-N 1 0 240.391 2.268 10 0 BEAERO COCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247570031 359235158 /nfs/dbraw/zinc/23/51/58/359235158.db2.gz RQRPFITWNQVDNJ-HUUCEWRRSA-N 1 0 249.354 2.221 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cnccn1 ZINC000247146793 359198449 /nfs/dbraw/zinc/19/84/49/359198449.db2.gz RFAWCFZPEGSXOY-SFTQSGBHSA-N 1 0 247.342 2.085 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCCC1 ZINC000247203965 359200293 /nfs/dbraw/zinc/20/02/93/359200293.db2.gz LTEQZTJVWQWMJF-JSGCOSHPSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)C1CCC1 ZINC000247242870 359203266 /nfs/dbraw/zinc/20/32/66/359203266.db2.gz XSCLVSFQJWVJKJ-COLVAYQJSA-N 1 0 231.339 2.423 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1[C@@H]1C=CCCC1 ZINC000247313707 359211367 /nfs/dbraw/zinc/21/13/67/359211367.db2.gz OFKOJOMDAJAPBW-MGPQQGTHSA-N 1 0 220.360 2.264 10 0 BEAERO CCCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247475532 359223752 /nfs/dbraw/zinc/22/37/52/359223752.db2.gz SDAOAQVJAQZAHH-OLZOCXBDSA-N 1 0 238.375 2.262 10 0 BEAERO CC[N@@H+]1CC[C@H](Nc2cccc(Cl)n2)C1 ZINC000306204274 359294429 /nfs/dbraw/zinc/29/44/29/359294429.db2.gz NDRHWMDDIBHLPN-VIFPVBQESA-N 1 0 225.723 2.241 10 0 BEAERO [NH3+][C@@H](CC1OCCO1)c1ccsc1Cl ZINC000306210960 359304633 /nfs/dbraw/zinc/30/46/33/359304633.db2.gz UIHFBZUKVJOVBS-ZETCQYMHSA-N 1 0 233.720 2.164 10 0 BEAERO C[C@@H]1C[N@H+](CCCCO)[C@H]1c1ccccc1 ZINC000248339486 359265741 /nfs/dbraw/zinc/26/57/41/359265741.db2.gz IEPRMVLFPRAKJU-TZMCWYRMSA-N 1 0 219.328 2.452 10 0 BEAERO C[C@H]([NH3+])[C@@](C)(F)c1cc(F)ccc1F ZINC000306214618 359316917 /nfs/dbraw/zinc/31/69/17/359316917.db2.gz ZLHINMDBGWNWOQ-QUBYGPBYSA-N 1 0 203.207 2.497 10 0 BEAERO C[C@@H]([NH3+])[C@](C)(F)c1cc(F)ccc1F ZINC000306214616 359317126 /nfs/dbraw/zinc/31/71/26/359317126.db2.gz ZLHINMDBGWNWOQ-LDWIPMOCSA-N 1 0 203.207 2.497 10 0 BEAERO Cc1cc(CO[C@@H]2CCC[C@@H]2[NH3+])cs1 ZINC000306221896 359343088 /nfs/dbraw/zinc/34/30/88/359343088.db2.gz JVNANLXFFAOQNV-WDEREUQCSA-N 1 0 211.330 2.453 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]CC1(F)CCCC1 ZINC000306232634 359389303 /nfs/dbraw/zinc/38/93/03/359389303.db2.gz DUILJOBAVPRAGE-NXEZZACHSA-N 1 0 201.285 2.036 10 0 BEAERO COC[C@](C)([NH3+])c1cc(C)ccc1Cl ZINC000306236345 359394893 /nfs/dbraw/zinc/39/48/93/359394893.db2.gz KUOLLHCJHWCOPH-NSHDSACASA-N 1 0 213.708 2.469 10 0 BEAERO [NH3+]CCNc1ccc(Br)cc1Cl ZINC000306255055 359460139 /nfs/dbraw/zinc/46/01/39/359460139.db2.gz RQMMHXKDXVWOJG-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO Cc1csc([C@]2(C[NH3+])CCCS2)n1 ZINC000306280853 359512423 /nfs/dbraw/zinc/51/24/23/359512423.db2.gz FAKXFKKFGFDZPH-SECBINFHSA-N 1 0 214.359 2.133 10 0 BEAERO [NH2+]=C1NC[C@@H](c2cc(Cl)sc2Cl)N1 ZINC000306285343 359518081 /nfs/dbraw/zinc/51/80/81/359518081.db2.gz CHZBZSIGHNFOKC-BYPYZUCNSA-N 1 0 236.127 2.014 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(CO)CC1 ZINC000308962709 491141358 /nfs/dbraw/zinc/14/13/58/491141358.db2.gz SKTRBEBDPZRAAF-NWDGAFQWSA-N 1 0 211.349 2.317 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000136182696 359572730 /nfs/dbraw/zinc/57/27/30/359572730.db2.gz CWHNGXMULBGIED-FDYHWXHSSA-N 1 0 238.375 2.164 10 0 BEAERO Cc1ccnc(C(C)(C)[NH3+])c1Br ZINC000306304778 359587708 /nfs/dbraw/zinc/58/77/08/359587708.db2.gz CEKKQZQLXZFPOS-UHFFFAOYSA-N 1 0 229.121 2.346 10 0 BEAERO C[C@@H]1C[C@](O)(c2ccsc2Cl)C[N@@H+]1C ZINC000306322760 359606949 /nfs/dbraw/zinc/60/69/49/359606949.db2.gz URDFQSJZHFXOLW-GMSGAONNSA-N 1 0 231.748 2.313 10 0 BEAERO C[C@H]1C[C@](O)(c2ccsc2Cl)C[N@@H+]1C ZINC000306322761 359606999 /nfs/dbraw/zinc/60/69/99/359606999.db2.gz URDFQSJZHFXOLW-OIBJUYFYSA-N 1 0 231.748 2.313 10 0 BEAERO C[C@@H]1CCC[C@@H](CC(=O)c2ccoc2)[NH2+]1 ZINC000130368003 359658574 /nfs/dbraw/zinc/65/85/74/359658574.db2.gz ORNPPFMIYUWDKW-KOLCDFICSA-N 1 0 207.273 2.383 10 0 BEAERO C[C@@H]1CCC[C@H](CC(=O)c2ccoc2)[NH2+]1 ZINC000130367581 359658669 /nfs/dbraw/zinc/65/86/69/359658669.db2.gz ORNPPFMIYUWDKW-MWLCHTKSSA-N 1 0 207.273 2.383 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309035662 491142967 /nfs/dbraw/zinc/14/29/67/491142967.db2.gz HXXQQPXGOAOECU-PWSUYJOCSA-N 1 0 210.365 2.105 10 0 BEAERO COC(=O)[C@@H](N)c1cc(Cl)sc1Cl ZINC000306345420 359664227 /nfs/dbraw/zinc/66/42/27/359664227.db2.gz OTVMWKSZIAVMEH-YFKPBYRVSA-N 1 0 240.111 2.228 10 0 BEAERO C[NH2+]Cc1nc(-c2sccc2C)c[nH]1 ZINC000069636674 359688134 /nfs/dbraw/zinc/68/81/34/359688134.db2.gz XWSMILHEZJNMBD-UHFFFAOYSA-N 1 0 207.302 2.166 10 0 BEAERO [NH3+]C1(C(=O)c2ccsc2Cl)CCC1 ZINC000306375319 359710065 /nfs/dbraw/zinc/71/00/65/359710065.db2.gz PVOXLBRCWZGHES-UHFFFAOYSA-N 1 0 215.705 2.466 10 0 BEAERO O[C@H](c1ccsc1Cl)[C@H]1CCC[NH2+]1 ZINC000306367989 359699040 /nfs/dbraw/zinc/69/90/40/359699040.db2.gz AMVXKAWMKIEWLS-HTQZYQBOSA-N 1 0 217.721 2.187 10 0 BEAERO [NH3+][C@@H](c1ncncc1Br)C1CCC1 ZINC000306409698 359799747 /nfs/dbraw/zinc/79/97/47/359799747.db2.gz PQBCNBODOZFCDS-MRVPVSSYSA-N 1 0 242.120 2.039 10 0 BEAERO C[NH2+]C(C)(C)[C@H](F)C(F)(F)Br ZINC000306410991 359818590 /nfs/dbraw/zinc/81/85/90/359818590.db2.gz SSVGYULLTFBXPY-BYPYZUCNSA-N 1 0 234.059 2.310 10 0 BEAERO CCc1nc2c(s1)CCC[C@H]2C[NH2+]C ZINC000231341661 359857572 /nfs/dbraw/zinc/85/75/72/359857572.db2.gz XUINWYDCDNTETH-QMMMGPOBSA-N 1 0 210.346 2.345 10 0 BEAERO Cc1nc(SC(C)C)ccc1C(N)=[NH2+] ZINC000306427307 359878032 /nfs/dbraw/zinc/87/80/32/359878032.db2.gz ITTNKTZQETWHGB-UHFFFAOYSA-N 1 0 209.318 2.175 10 0 BEAERO Cc1ccc(OCC2C[NH2+]C2)c(Cl)c1 ZINC000306429014 359880363 /nfs/dbraw/zinc/88/03/63/359880363.db2.gz NWINPVPBBWBENC-UHFFFAOYSA-N 1 0 211.692 2.247 10 0 BEAERO CC1=CC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000309124606 491145256 /nfs/dbraw/zinc/14/52/56/491145256.db2.gz PCBOONJFPMDQPN-XQQFMLRXSA-N 1 0 209.333 2.378 10 0 BEAERO C[C@H](CCC[NH3+])Nc1nc2ccccc2o1 ZINC000087362286 359908660 /nfs/dbraw/zinc/90/86/60/359908660.db2.gz IAOUGRHMGYHFMU-SECBINFHSA-N 1 0 219.288 2.367 10 0 BEAERO O=C1CCC[C@H]1[NH+]1CCC(C(F)F)CC1 ZINC000306432185 359928820 /nfs/dbraw/zinc/92/88/20/359928820.db2.gz XXOXFRSRXJPOSZ-SECBINFHSA-N 1 0 217.259 2.085 10 0 BEAERO C[C@H]1CCN(CC(=O)c2cccs2)C1 ZINC000040719132 359914360 /nfs/dbraw/zinc/91/43/60/359914360.db2.gz MQBJRCCEPUPFNP-VIFPVBQESA-N 1 0 209.314 2.273 10 0 BEAERO CC(C)[C@@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087616901 359921069 /nfs/dbraw/zinc/92/10/69/359921069.db2.gz DYCKFETVYLPGLX-RISCZKNCSA-N 1 0 246.354 2.034 10 0 BEAERO O=C1CC[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000306457838 360047072 /nfs/dbraw/zinc/04/70/72/360047072.db2.gz WOPDJHDEEANZJF-TUAOUCFPSA-N 1 0 207.317 2.230 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1F ZINC000089162219 359995127 /nfs/dbraw/zinc/99/51/27/359995127.db2.gz QCHKLKJFHWYTBH-JSGCOSHPSA-N 1 0 237.318 2.385 10 0 BEAERO C[C@@H](CC(F)F)Nc1cccc(N)[nH+]1 ZINC000306471559 360096748 /nfs/dbraw/zinc/09/67/48/360096748.db2.gz SBVKENMQQQBKQS-LURJTMIESA-N 1 0 201.220 2.119 10 0 BEAERO Cc1c(Cl)ccc(NCC[NH3+])c1F ZINC000306455136 360051752 /nfs/dbraw/zinc/05/17/52/360051752.db2.gz QBGDTUQMHCYKOL-UHFFFAOYSA-N 1 0 202.660 2.158 10 0 BEAERO CO[C@H](C[NH3+])c1cscc1Br ZINC000306459531 360057058 /nfs/dbraw/zinc/05/70/58/360057058.db2.gz GXTLSSDRKLXVRD-SSDOTTSWSA-N 1 0 236.134 2.157 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1cc(C(F)(F)F)ccn1 ZINC000090804037 360090464 /nfs/dbraw/zinc/09/04/64/360090464.db2.gz SEAXZGPRMBUTFP-VIFPVBQESA-N 1 0 247.264 2.496 10 0 BEAERO CC(C)C[C@@H]1CC[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000306478356 360125904 /nfs/dbraw/zinc/12/59/04/360125904.db2.gz CWSYROWYSFQCAM-NWDGAFQWSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]1CC[N@H+](Cc2cc[nH]c2)C[C@@H]1n1ccnc1 ZINC000091960649 360138298 /nfs/dbraw/zinc/13/82/98/360138298.db2.gz NDKNSLMEBJESOY-JSGCOSHPSA-N 1 0 244.342 2.294 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(F)cn1 ZINC000092196584 360155876 /nfs/dbraw/zinc/15/58/76/360155876.db2.gz FXGJJSAMNALPFM-AUTRQRHGSA-N 1 0 224.279 2.049 10 0 BEAERO C1CSC[C@@H]([N@@H+]2CCCSCC2)C1 ZINC000306491975 360210039 /nfs/dbraw/zinc/21/00/39/360210039.db2.gz PKGLFCUNAFSZNG-JTQLQIEISA-N 1 0 217.403 2.321 10 0 BEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](C)CC ZINC000093081593 360214871 /nfs/dbraw/zinc/21/48/71/360214871.db2.gz FHTFJOLUDPLPGR-QWRGUYRKSA-N 1 0 236.363 2.311 10 0 BEAERO c1coc([C@H]2CCCN2Cc2c[nH]cn2)c1 ZINC000093335182 360232394 /nfs/dbraw/zinc/23/23/94/360232394.db2.gz QPZLJQLHOXFEJL-LLVKDONJSA-N 1 0 217.272 2.340 10 0 BEAERO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc[nH]c1 ZINC000093864130 360284615 /nfs/dbraw/zinc/28/46/15/360284615.db2.gz JMGJYYWPPAHTEC-ZDUSSCGKSA-N 1 0 244.342 2.258 10 0 BEAERO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc[nH]c1 ZINC000093864129 360284718 /nfs/dbraw/zinc/28/47/18/360284718.db2.gz JMGJYYWPPAHTEC-CYBMUJFWSA-N 1 0 244.342 2.258 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000093963512 360292106 /nfs/dbraw/zinc/29/21/06/360292106.db2.gz CWDLLPFZFAAFOV-KOLCDFICSA-N 1 0 221.348 2.216 10 0 BEAERO C[NH2+]C[C@@H](C)CCOCc1ccccc1 ZINC000306514683 360338201 /nfs/dbraw/zinc/33/82/01/360338201.db2.gz ASSLSYGSPYCSIC-LBPRGKRZSA-N 1 0 207.317 2.449 10 0 BEAERO [NH3+][C@@H](Cc1csc(Cl)c1)[C@@H]1CCCO1 ZINC000306515372 360341612 /nfs/dbraw/zinc/34/16/12/360341612.db2.gz DELDGDKMZZRUFL-IUCAKERBSA-N 1 0 231.748 2.450 10 0 BEAERO CC(C)(C)OC(=O)NC1CCC(F)(C[NH3+])CC1 ZINC000306519253 360343637 /nfs/dbraw/zinc/34/36/37/360343637.db2.gz IUTGHIYWGZQESN-UHFFFAOYSA-N 1 0 246.326 2.121 10 0 BEAERO C[C@H]1C[N@H+](Cc2ccnc(Cl)n2)C[C@H]1C ZINC000306518786 360345438 /nfs/dbraw/zinc/34/54/38/360345438.db2.gz HNARMNRUJFLIMS-DTORHVGOSA-N 1 0 225.723 2.218 10 0 BEAERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cn1 ZINC000094449650 360308489 /nfs/dbraw/zinc/30/84/89/360308489.db2.gz GQDRMGMLCNLDNG-DZGCQCFKSA-N 1 0 245.370 2.059 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccon1 ZINC000094512584 360309885 /nfs/dbraw/zinc/30/98/85/360309885.db2.gz JDBBDSNCBMWHMA-ZIAGYGMSSA-N 1 0 249.358 2.123 10 0 BEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccon1 ZINC000094512585 360310405 /nfs/dbraw/zinc/31/04/05/360310405.db2.gz JDBBDSNCBMWHMA-UONOGXRCSA-N 1 0 249.358 2.123 10 0 BEAERO C/C(=C\COCc1ccccc1)[C@@H](C)[NH3+] ZINC000306522244 360361786 /nfs/dbraw/zinc/36/17/86/360361786.db2.gz PKVSZUSMZSBJKL-JATZPVMKSA-N 1 0 205.301 2.497 10 0 BEAERO [NH3+]C1CC(Oc2ccc(Cl)cc2F)C1 ZINC000306532899 360392285 /nfs/dbraw/zinc/39/22/85/360392285.db2.gz GYPHIHSMXWSPFN-UHFFFAOYSA-N 1 0 215.655 2.348 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccoc2C)C1 ZINC000309460672 491148634 /nfs/dbraw/zinc/14/86/34/491148634.db2.gz NVDUCKIMHIWKSY-ZWNOBZJWSA-N 1 0 222.332 2.018 10 0 BEAERO C[C@@H]([NH3+])c1cncn1[C@@H](C)C(C)(F)F ZINC000306521582 360359417 /nfs/dbraw/zinc/35/94/17/360359417.db2.gz NHVYLSSMWSVWLY-RQJHMYQMSA-N 1 0 203.236 2.119 10 0 BEAERO [NH3+]CC1(Oc2cccc(Cl)c2F)CC1 ZINC000300734928 360423565 /nfs/dbraw/zinc/42/35/65/360423565.db2.gz FZTRKBWDMHYTBQ-UHFFFAOYSA-N 1 0 215.655 2.349 10 0 BEAERO C[C@H]1CC[N@H+](CC(=O)C(C)(C)C)CCS1 ZINC000306553197 360426367 /nfs/dbraw/zinc/42/63/67/360426367.db2.gz KXXUQSZSTRGXBN-JTQLQIEISA-N 1 0 229.389 2.429 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)CCS1 ZINC000306554017 360426720 /nfs/dbraw/zinc/42/67/20/360426720.db2.gz LGVMQWATXCWADS-MNOVXSKESA-N 1 0 227.373 2.326 10 0 BEAERO Brc1ccc(C[C@@H]2CC[NH2+]C2)o1 ZINC000306555351 360428853 /nfs/dbraw/zinc/42/88/53/360428853.db2.gz BWHNEPRCXPHKER-ZETCQYMHSA-N 1 0 230.105 2.194 10 0 BEAERO [NH3+][C@H]1CC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000306559611 360434017 /nfs/dbraw/zinc/43/40/17/360434017.db2.gz QRZCVEKSIAXVKW-MUWHJKNJSA-N 1 0 201.191 2.309 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@@H]1C(=O)CC1=CCCC1 ZINC000306581989 360479859 /nfs/dbraw/zinc/47/98/59/360479859.db2.gz OZOHMYSASYLZCX-PWSUYJOCSA-N 1 0 207.317 2.302 10 0 BEAERO CC[C@H](NC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000306571856 360459524 /nfs/dbraw/zinc/45/95/24/360459524.db2.gz HFXZUCJRJOSBPI-VIFPVBQESA-N 1 0 211.696 2.274 10 0 BEAERO CC1(C(=O)CC2=CCCC2)CC[NH2+]CC1 ZINC000306575265 360464423 /nfs/dbraw/zinc/46/44/23/360464423.db2.gz JGOZIXSXHCSAIH-UHFFFAOYSA-N 1 0 207.317 2.446 10 0 BEAERO FC(F)C(F)(F)CC1(F)CC[NH2+]CC1 ZINC000306597786 360520176 /nfs/dbraw/zinc/52/01/76/360520176.db2.gz ZWMMUJITAXVIPX-UHFFFAOYSA-N 1 0 217.181 2.369 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@H]1c1occc1Br ZINC000300783129 360502620 /nfs/dbraw/zinc/50/26/20/360502620.db2.gz VSBLRHNQQWOQKM-HTRCEHHLSA-N 1 0 230.105 2.493 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)c2ccsc2)C[NH2+]1 ZINC000306591258 360504921 /nfs/dbraw/zinc/50/49/21/360504921.db2.gz YJKTUPBTPKDLGA-BDAKNGLRSA-N 1 0 209.314 2.319 10 0 BEAERO CC[C@H](OC)[C@H]1[NH2+]CCc2sccc21 ZINC000306592275 360510280 /nfs/dbraw/zinc/51/02/80/360510280.db2.gz ZLKNDBSXPACHHP-ONGXEEELSA-N 1 0 211.330 2.360 10 0 BEAERO NC(=S)CCC[N@@H+]1CCc2ccccc2C1 ZINC000019426080 181314938 /nfs/dbraw/zinc/31/49/38/181314938.db2.gz VINBKNKTWKJYNE-UHFFFAOYSA-N 1 0 234.368 2.111 10 0 BEAERO CC1(C)CN(C/C=C\Cl)C(C)(C)C[NH2+]1 ZINC000379504040 360991898 /nfs/dbraw/zinc/99/18/98/360991898.db2.gz PJMSURDZEYTKDA-WAYWQWQTSA-N 1 0 216.756 2.201 10 0 BEAERO [NH3+]C1(C(=O)N2C[C@@H]3CCCCC[C@H]32)CCCC1 ZINC000368396563 181324577 /nfs/dbraw/zinc/32/45/77/181324577.db2.gz DTQZMGPBTWRYNC-NWDGAFQWSA-N 1 0 236.359 2.049 10 0 BEAERO [NH3+]C/C=C/c1ccccc1Br ZINC000069049912 181324612 /nfs/dbraw/zinc/32/46/12/181324612.db2.gz MQMRPGVEUADACE-HWKANZROSA-N 1 0 212.090 2.421 10 0 BEAERO [NH3+][C@@H](CC(F)(F)F)c1ccc(F)cn1 ZINC000238630397 361167712 /nfs/dbraw/zinc/16/77/12/361167712.db2.gz ISUJAWCIRHRXGO-LURJTMIESA-N 1 0 208.158 2.173 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000579007306 366694631 /nfs/dbraw/zinc/69/46/31/366694631.db2.gz ZESHMTXQZRBTGT-WDEREUQCSA-N 1 0 207.321 2.305 10 0 BEAERO CC1CC(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000578998171 366690801 /nfs/dbraw/zinc/69/08/01/366690801.db2.gz NPTBANMPGBILKN-UHFFFAOYSA-N 1 0 244.338 2.317 10 0 BEAERO [NH3+]C1(c2ccc(Br)nc2)CCC1 ZINC000095763503 181334032 /nfs/dbraw/zinc/33/40/32/181334032.db2.gz WNAOOZXXPGXBRW-UHFFFAOYSA-N 1 0 227.105 2.182 10 0 BEAERO [NH3+]C1(c2cccc([C@H]3CCOCOC3)c2)CC1 ZINC000095938193 181335502 /nfs/dbraw/zinc/33/55/02/181335502.db2.gz MOAUDQOGYBFAEA-LBPRGKRZSA-N 1 0 233.311 2.112 10 0 BEAERO CC(C)c1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000041213187 361463837 /nfs/dbraw/zinc/46/38/37/361463837.db2.gz SVTQFGVSHBOYMR-CYBMUJFWSA-N 1 0 204.317 2.044 10 0 BEAERO [NH3+]C1(c2noc(CC(F)(F)F)n2)CCCCC1 ZINC000041153648 181336771 /nfs/dbraw/zinc/33/67/71/181336771.db2.gz ULOVRRVGWKTEBJ-UHFFFAOYSA-N 1 0 249.236 2.293 10 0 BEAERO C[C@@H]([NH2+]CC1(O)CCCC1)c1cncs1 ZINC000133628135 491158475 /nfs/dbraw/zinc/15/84/75/491158475.db2.gz OOKCACXOAFMLGL-SECBINFHSA-N 1 0 226.345 2.099 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(CC)Cc1ccoc1 ZINC000629601232 361492171 /nfs/dbraw/zinc/49/21/71/361492171.db2.gz HZDYXVSRKGUTBG-CMPLNLGQSA-N 1 0 238.331 2.002 10 0 BEAERO NC1=[NH+]CC2(CCC(c3ccccc3)CC2)O1 ZINC000088532626 181339087 /nfs/dbraw/zinc/33/90/87/181339087.db2.gz GPEJZSAQFYIBEF-UHFFFAOYSA-N 1 0 230.311 2.428 10 0 BEAERO [NH2+]=C1N[C@@H](c2cccnc2)Cc2ccsc21 ZINC000025979325 181339536 /nfs/dbraw/zinc/33/95/36/181339536.db2.gz DQFBGLAGAZYBJX-SNVBAGLBSA-N 1 0 229.308 2.146 10 0 BEAERO CCNC(=[NH2+])c1ccc(Br)s1 ZINC000070598083 361581588 /nfs/dbraw/zinc/58/15/88/361581588.db2.gz WNCMOHJJHPHLPK-UHFFFAOYSA-N 1 0 233.134 2.445 10 0 BEAERO Cc1nc(C)c([C@H]2[NH2+]C[C@H](C)S2)s1 ZINC000306637893 361585648 /nfs/dbraw/zinc/58/56/48/361585648.db2.gz MQRGHSJUQWQQRV-CDUCUWFYSA-N 1 0 214.359 2.483 10 0 BEAERO CC[NH2+]Cc1ccc(N)c(Br)c1 ZINC000070602452 361587529 /nfs/dbraw/zinc/58/75/29/361587529.db2.gz XQZZZTKGSXVQOD-UHFFFAOYSA-N 1 0 229.121 2.141 10 0 BEAERO CCn1cc(-c2csc(C[NH3+])c2)cn1 ZINC000070601110 361587644 /nfs/dbraw/zinc/58/76/44/361587644.db2.gz MGENNVDWZUZFIP-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000309975087 491159198 /nfs/dbraw/zinc/15/91/98/491159198.db2.gz SCYQNWHKTVGTAA-OUCADQQQSA-N 1 0 224.392 2.495 10 0 BEAERO C[C@@H](C[NH3+])Sc1ccc(Br)cn1 ZINC000070615299 361626199 /nfs/dbraw/zinc/62/61/99/361626199.db2.gz WEPOIXYXXBGFHZ-LURJTMIESA-N 1 0 247.161 2.283 10 0 BEAERO [NH3+]C1CCC(C(=O)OCc2cccs2)CC1 ZINC000049584793 181341871 /nfs/dbraw/zinc/34/18/71/181341871.db2.gz UNOFBEUFQTWLRS-UHFFFAOYSA-N 1 0 239.340 2.309 10 0 BEAERO Clc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000038005734 361638219 /nfs/dbraw/zinc/63/82/19/361638219.db2.gz OTMFMHLQZXIFAS-UHFFFAOYSA-N 1 0 221.691 2.353 10 0 BEAERO [NH3+]C1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000055144749 181342180 /nfs/dbraw/zinc/34/21/80/181342180.db2.gz PZJPPXUSRNYXAH-UHFFFAOYSA-N 1 0 233.237 2.344 10 0 BEAERO [NH3+]C1CCC([S@@](=O)c2ccccc2)CC1 ZINC000055144767 181342338 /nfs/dbraw/zinc/34/23/38/181342338.db2.gz MZYGBSFBGAFZQO-MBRGGSNBSA-N 1 0 223.341 2.064 10 0 BEAERO [NH3+]C1CCC(Oc2ccccc2F)CC1 ZINC000055143981 181342452 /nfs/dbraw/zinc/34/24/52/181342452.db2.gz KWBGOSSLOYVPGP-UHFFFAOYSA-N 1 0 209.264 2.474 10 0 BEAERO [NH3+]C1CCC([S@](=O)c2ccccc2)CC1 ZINC000055144765 181342632 /nfs/dbraw/zinc/34/26/32/181342632.db2.gz MZYGBSFBGAFZQO-QHAMSDLMSA-N 1 0 223.341 2.064 10 0 BEAERO Clc1ccc(C[NH2+]Cc2cn[nH]c2)s1 ZINC000038006028 361661180 /nfs/dbraw/zinc/66/11/80/361661180.db2.gz PUPDDWWUQGWWTD-UHFFFAOYSA-N 1 0 227.720 2.414 10 0 BEAERO [NH3+]C1CCC(Oc2nc3ccccc3[nH]2)CC1 ZINC000055143665 181342092 /nfs/dbraw/zinc/34/20/92/181342092.db2.gz VLIGEXFVNSBRLR-UHFFFAOYSA-N 1 0 231.299 2.212 10 0 BEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(F)cc1F ZINC000054603274 181345221 /nfs/dbraw/zinc/34/52/21/181345221.db2.gz OVCOXKASKMHGRD-FGWVZKOKSA-N 1 0 238.281 2.423 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000037163611 361711452 /nfs/dbraw/zinc/71/14/52/361711452.db2.gz RTGLJOLFIHKHEJ-RWMBFGLXSA-N 1 0 209.333 2.236 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000037163613 361712137 /nfs/dbraw/zinc/71/21/37/361712137.db2.gz RTGLJOLFIHKHEJ-YNEHKIRRSA-N 1 0 209.333 2.236 10 0 BEAERO Cc1cc(C)nc(NCc2ccc(C[NH3+])cc2)n1 ZINC000037748174 363896768 /nfs/dbraw/zinc/89/67/68/363896768.db2.gz JOQZTVPTLIXIJF-UHFFFAOYSA-N 1 0 242.326 2.164 10 0 BEAERO O=C(C[C@@H]1CCCCC[NH2+]1)C(F)(F)F ZINC000306351466 541312962 /nfs/dbraw/zinc/31/29/62/541312962.db2.gz XQNQBXGKPFMUMU-ZETCQYMHSA-N 1 0 209.211 2.040 10 0 BEAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1cccs1 ZINC000037479493 364062111 /nfs/dbraw/zinc/06/21/11/364062111.db2.gz CBPGWBZBADTPNO-VIFPVBQESA-N 1 0 238.356 2.197 10 0 BEAERO C[NH2+][C@@H]1COc2c1ccc(Cl)c2F ZINC000130682287 364088013 /nfs/dbraw/zinc/08/80/13/364088013.db2.gz BCMQCTFHDQCAKT-SSDOTTSWSA-N 1 0 201.628 2.132 10 0 BEAERO CCOc1ccccc1[C@H](N)CC[NH2+]C(C)C ZINC000725263477 541336534 /nfs/dbraw/zinc/33/65/34/541336534.db2.gz IJXCCBFOOWVNKN-CYBMUJFWSA-N 1 0 236.359 2.473 10 0 BEAERO CC(C)C[NH2+]CC1CC(n2ccnc2)C1 ZINC000725269739 541339230 /nfs/dbraw/zinc/33/92/30/541339230.db2.gz YCKPXETWJFRSBX-UHFFFAOYSA-N 1 0 207.321 2.080 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000630528698 364215980 /nfs/dbraw/zinc/21/59/80/364215980.db2.gz MCIRHCOCGBLDMW-JOYOIKCWSA-N 1 0 230.315 2.115 10 0 BEAERO C[C@H]1CC[C@H](Nc2nccc3occc32)C[NH2+]1 ZINC000630531593 364218960 /nfs/dbraw/zinc/21/89/60/364218960.db2.gz BRMLJHUMATWUTI-UWVGGRQHSA-N 1 0 231.299 2.380 10 0 BEAERO [NH3+]CC1(Cc2cc(F)ccc2F)CCOCC1 ZINC000061673980 181360532 /nfs/dbraw/zinc/36/05/32/181360532.db2.gz ZFACZVZSQBXKEH-UHFFFAOYSA-N 1 0 241.281 2.263 10 0 BEAERO [NH3+][C@H]1CCCCCN(c2ccc(Cl)cn2)C1 ZINC000630549277 364242319 /nfs/dbraw/zinc/24/23/19/364242319.db2.gz JRMXWGXTJMNODY-NSHDSACASA-N 1 0 239.750 2.443 10 0 BEAERO C[C@@H]1CN(c2nccc3ccccc32)C[C@@H]1C[NH3+] ZINC000630554561 364251015 /nfs/dbraw/zinc/25/10/15/364251015.db2.gz QJERJEYWHMVQFK-YPMHNXCESA-N 1 0 241.338 2.266 10 0 BEAERO CCc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)nc(C)n1 ZINC000630556863 364257451 /nfs/dbraw/zinc/25/74/51/364257451.db2.gz LOJVARKPYRJQCV-AULYBMBSSA-N 1 0 248.374 2.277 10 0 BEAERO C[C@H]1CN(c2ccc3ccccc3n2)C[C@@H]1C[NH3+] ZINC000630566694 364263813 /nfs/dbraw/zinc/26/38/13/364263813.db2.gz FLGODRVILRPHRH-AAEUAGOBSA-N 1 0 241.338 2.266 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ncnc3ccsc32)C[NH2+]1 ZINC000630533783 364225822 /nfs/dbraw/zinc/22/58/22/364225822.db2.gz RHESHPZUFPGXKC-BDAKNGLRSA-N 1 0 248.355 2.244 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ncnc3sccc32)C[NH2+]1 ZINC000630533735 364226217 /nfs/dbraw/zinc/22/62/17/364226217.db2.gz QKRRGWNCGRWXNL-RKDXNWHRSA-N 1 0 248.355 2.244 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ncnc3ccccc32)C[NH2+]1 ZINC000630533502 364226435 /nfs/dbraw/zinc/22/64/35/364226435.db2.gz CQOWQVAYOOTHIM-WDEREUQCSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@H]1C[C@H](C)CN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000037623200 364338632 /nfs/dbraw/zinc/33/86/32/364338632.db2.gz UJCAKMOWBLJYJJ-ZSVAQUKISA-N 1 0 238.375 2.008 10 0 BEAERO COCCC1(C[NH2+][C@H]2CCCSC2)CC1 ZINC000134815212 364415313 /nfs/dbraw/zinc/41/53/13/364415313.db2.gz OWAASZDYDQBABU-NSHDSACASA-N 1 0 229.389 2.288 10 0 BEAERO C[C@@H]1Oc2c(ccc(Cl)c2F)[C@H]1[NH3+] ZINC000130685013 364415989 /nfs/dbraw/zinc/41/59/89/364415989.db2.gz HLKMBBLZLVGROU-NVNXEXLPSA-N 1 0 201.628 2.260 10 0 BEAERO [NH3+]CC1CCC(c2nc(C3CC3)no2)CC1 ZINC000045894421 181363709 /nfs/dbraw/zinc/36/37/09/181363709.db2.gz DWVFWYIRTDDUGJ-UHFFFAOYSA-N 1 0 221.304 2.180 10 0 BEAERO Cc1ccccc1CNC(=O)C1CCC([NH3+])CC1 ZINC000037718849 364547315 /nfs/dbraw/zinc/54/73/15/364547315.db2.gz UIBOJIFPSSTLBQ-UHFFFAOYSA-N 1 0 246.354 2.129 10 0 BEAERO CC[C@H](C)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246447788 364595386 /nfs/dbraw/zinc/59/53/86/364595386.db2.gz IJUIYGPNACQYFV-YNEHKIRRSA-N 1 0 210.365 2.201 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000246878809 364613931 /nfs/dbraw/zinc/61/39/31/364613931.db2.gz KBRINDQJFYOQSL-ZIQFBCGOSA-N 1 0 209.333 2.188 10 0 BEAERO [NH3+]CCC(=O)c1c(F)cccc1Cl ZINC000082913434 181369764 /nfs/dbraw/zinc/36/97/64/181369764.db2.gz SXBCNZKQOQYFEY-UHFFFAOYSA-N 1 0 201.628 2.011 10 0 BEAERO C[NH2+][C@@H]1CC[C@H](Cc2nccs2)[C@H]1C ZINC000252659698 364731218 /nfs/dbraw/zinc/73/12/18/364731218.db2.gz HKKNCUHKRYHPML-OPRDCNLKSA-N 1 0 210.346 2.320 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000328001469 364805133 /nfs/dbraw/zinc/80/51/33/364805133.db2.gz NYQLRYAROSMJKO-BPCQOVAHSA-N 1 0 223.360 2.460 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000233490983 541383843 /nfs/dbraw/zinc/38/38/43/541383843.db2.gz OASFTTQHRYHCSC-HZSPNIEDSA-N 1 0 240.391 2.018 10 0 BEAERO [NH3+]CCCC(=O)c1ccc(Br)cc1 ZINC000074367284 181373365 /nfs/dbraw/zinc/37/33/65/181373365.db2.gz CDVVBSNFTSNSCV-UHFFFAOYSA-N 1 0 242.116 2.371 10 0 BEAERO CC1(C[N@@H+]2CCCO[C@@H](CF)C2)CCC1 ZINC000334636879 541415806 /nfs/dbraw/zinc/41/58/06/541415806.db2.gz GXOXDFZCDUCDQU-NSHDSACASA-N 1 0 215.312 2.237 10 0 BEAERO c1cn2c([nH+]1)NCC[C@@H]2c1ccsc1 ZINC000232480483 541417743 /nfs/dbraw/zinc/41/77/43/541417743.db2.gz BNTJXDIZHVMUAE-SECBINFHSA-N 1 0 205.286 2.350 10 0 BEAERO [NH3+]CCCCOc1cccc2cccnc21 ZINC000020296681 181378530 /nfs/dbraw/zinc/37/85/30/181378530.db2.gz GRXAOJJVISRROZ-UHFFFAOYSA-N 1 0 216.284 2.353 10 0 BEAERO Cc1cc(-c2ccc(C[NH3+])c(F)n2)sn1 ZINC000669384845 541438366 /nfs/dbraw/zinc/43/83/66/541438366.db2.gz JGYVDWILFNVILA-UHFFFAOYSA-N 1 0 223.276 2.111 10 0 BEAERO [NH3+]CCCN(CC1CCOCC1)c1ccccc1 ZINC000052171437 181379576 /nfs/dbraw/zinc/37/95/76/181379576.db2.gz OLYHAGNULKTTGD-UHFFFAOYSA-N 1 0 248.370 2.268 10 0 BEAERO [NH3+]CCCN1Cc2ccc(Cl)cc2C1 ZINC000058012128 181381437 /nfs/dbraw/zinc/38/14/37/181381437.db2.gz YCYPPKPVHGWCJC-UHFFFAOYSA-N 1 0 210.708 2.004 10 0 BEAERO [NH3+]CCCNc1cc(Br)ccc1F ZINC000083256500 181383357 /nfs/dbraw/zinc/38/33/57/181383357.db2.gz KRZWKCGLRYPKKU-UHFFFAOYSA-N 1 0 247.111 2.349 10 0 BEAERO [NH3+]CCCNc1cc(Cl)ccc1F ZINC000082592480 181383813 /nfs/dbraw/zinc/38/38/13/181383813.db2.gz VEXSUYOQXBNOMP-UHFFFAOYSA-N 1 0 202.660 2.240 10 0 BEAERO [NH3+]CCCOc1ccc(C(=O)c2ccco2)cc1 ZINC000041292182 181384454 /nfs/dbraw/zinc/38/44/54/181384454.db2.gz FRFDPSJAKCCUJN-UHFFFAOYSA-N 1 0 245.278 2.238 10 0 BEAERO [NH3+]CCCOc1ccc(C(=O)C2CC2)cc1 ZINC000041232423 181384592 /nfs/dbraw/zinc/38/45/92/181384592.db2.gz HWSRIGRDXMOVND-UHFFFAOYSA-N 1 0 219.284 2.007 10 0 BEAERO [NH3+]CCCOc1cc(F)ccc1Br ZINC000075880587 181385050 /nfs/dbraw/zinc/38/50/50/181385050.db2.gz QJRFHUROSRXKJJ-UHFFFAOYSA-N 1 0 248.095 2.316 10 0 BEAERO [NH3+]CCCOc1ccc(Cl)c(F)c1 ZINC000075880591 181385065 /nfs/dbraw/zinc/38/50/65/181385065.db2.gz UVXMGLUKWMWBTG-UHFFFAOYSA-N 1 0 203.644 2.207 10 0 BEAERO [NH3+]CCC[C@H](C(=O)NC1CC1)C1CCCCC1 ZINC000076620794 181385675 /nfs/dbraw/zinc/38/56/75/181385675.db2.gz VYVMESJFOWVOCY-ZDUSSCGKSA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+]CCC[C@@H](Nc1cnccn1)c1ccccc1 ZINC000311149491 181385946 /nfs/dbraw/zinc/38/59/46/181385946.db2.gz MTSIVEPDKHSOTF-CYBMUJFWSA-N 1 0 242.326 2.369 10 0 BEAERO [NH3+]CCCc1cnn(-c2ccccc2Cl)c1 ZINC000054680146 181386410 /nfs/dbraw/zinc/38/64/10/181386410.db2.gz BWSYQEHHQPAWJA-UHFFFAOYSA-N 1 0 235.718 2.417 10 0 BEAERO [NH3+]CCCc1n[nH]c2ccc(C(F)(F)F)cc21 ZINC000299890171 181386660 /nfs/dbraw/zinc/38/66/60/181386660.db2.gz VHAISMIMMOCTJD-UHFFFAOYSA-N 1 0 243.232 2.473 10 0 BEAERO [NH3+]CCCc1nc2ccc(F)cc2s1 ZINC000031895046 181386671 /nfs/dbraw/zinc/38/66/71/181386671.db2.gz PXZDSCBLXHLRJT-UHFFFAOYSA-N 1 0 210.277 2.327 10 0 BEAERO [NH3+]CCCc1sccc1Br ZINC000043676833 181388010 /nfs/dbraw/zinc/38/80/10/181388010.db2.gz GJCBLVRWEHVMBX-UHFFFAOYSA-N 1 0 220.135 2.402 10 0 BEAERO [NH3+]CCCc1noc(-c2ccc(Cl)s2)n1 ZINC000054138906 181388018 /nfs/dbraw/zinc/38/80/18/181388018.db2.gz FYINZHFLEKDBFZ-UHFFFAOYSA-N 1 0 243.719 2.343 10 0 BEAERO [NH3+]CCCc1noc(C2CCCCCC2)n1 ZINC000054138934 181388590 /nfs/dbraw/zinc/38/85/90/181388590.db2.gz TZXGZJGIRNQXQE-UHFFFAOYSA-N 1 0 223.320 2.399 10 0 BEAERO [NH3+]CCCc1nnc(-c2cc3c(s2)CCC3)o1 ZINC000050283588 181388635 /nfs/dbraw/zinc/38/86/35/181388635.db2.gz HYOAYZFQDOBONI-UHFFFAOYSA-N 1 0 249.339 2.178 10 0 BEAERO [NH3+]CCCN(C[C@@H]1CCCCO1)c1ccccc1 ZINC000036230871 181380199 /nfs/dbraw/zinc/38/01/99/181380199.db2.gz ZPGPXGGNMAUKBS-HNNXBMFYSA-N 1 0 248.370 2.411 10 0 BEAERO [NH3+]CCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000037902512 181394588 /nfs/dbraw/zinc/39/45/88/181394588.db2.gz WKBPYVCYGPHDTL-UHFFFAOYSA-N 1 0 248.113 2.074 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCCc3occc32)C1 ZINC000169216785 365098853 /nfs/dbraw/zinc/09/88/53/365098853.db2.gz MGEHNEPRKWYHBS-CBINBANVSA-N 1 0 221.300 2.018 10 0 BEAERO NCC[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000022924839 181396841 /nfs/dbraw/zinc/39/68/41/181396841.db2.gz ODVXDOIVSLSBSO-UHFFFAOYSA-N 1 0 233.142 2.084 10 0 BEAERO [NH3+]CCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000037712368 181397693 /nfs/dbraw/zinc/39/76/93/181397693.db2.gz MTTLLLIDWCKYQR-HNNXBMFYSA-N 1 0 244.313 2.463 10 0 BEAERO CCC[C@H](C)C(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125053172 541451979 /nfs/dbraw/zinc/45/19/79/541451979.db2.gz OGQQJKIKEOZTNF-NWDGAFQWSA-N 1 0 226.364 2.153 10 0 BEAERO [NH3+]CCc1ccc(OCc2ccncc2)cc1 ZINC000022176718 181412251 /nfs/dbraw/zinc/41/22/51/181412251.db2.gz DWXOLLRWLCKCBH-UHFFFAOYSA-N 1 0 228.295 2.162 10 0 BEAERO [NH3+]C[C@@H](c1ccccc1)n1cc(Cl)cn1 ZINC000042899587 181425915 /nfs/dbraw/zinc/42/59/15/181425915.db2.gz GQXOTMHLVSBXFY-NSHDSACASA-N 1 0 221.691 2.085 10 0 BEAERO [NH3+]C[C@H](c1cccs1)c1ccncc1 ZINC000076583390 181426441 /nfs/dbraw/zinc/42/64/41/181426441.db2.gz OVFWSIKPFDLOMQ-JTQLQIEISA-N 1 0 204.298 2.234 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccccc2F)C1 ZINC000334748832 365246723 /nfs/dbraw/zinc/24/67/23/365246723.db2.gz ZZKZLSCZTNEIGX-ZYHUDNBSSA-N 1 0 223.291 2.028 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nnc(C2CCC2)[nH]1 ZINC000675060561 541463834 /nfs/dbraw/zinc/46/38/34/541463834.db2.gz IZHSMQHCNSEJSC-IONNQARKSA-N 1 0 208.309 2.118 10 0 BEAERO CCc1cn2c([nH+]1)NCC[C@@H]2C(F)(F)F ZINC000234177598 541512287 /nfs/dbraw/zinc/51/22/87/541512287.db2.gz IUYWQFDSOFAZFN-SSDOTTSWSA-N 1 0 219.210 2.365 10 0 BEAERO C[C@@H]([NH2+][C@@H]1C[C@H]1CO)C1CCC(F)(F)CC1 ZINC000382197736 541512924 /nfs/dbraw/zinc/51/29/24/541512924.db2.gz DHJALEAYYWTRAT-DVVUODLYSA-N 1 0 233.302 2.171 10 0 BEAERO CC1(C)CCC[C@@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000368610405 367114309 /nfs/dbraw/zinc/11/43/09/367114309.db2.gz ADAVLNVXFLIHJR-LPWJVIDDSA-N 1 0 223.360 2.437 10 0 BEAERO CC1(C)CCC[C@@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000381984206 367475666 /nfs/dbraw/zinc/47/56/66/367475666.db2.gz GCLXPLDBQLBZNE-GRYCIOLGSA-N 1 0 211.349 2.173 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382059023 367483256 /nfs/dbraw/zinc/48/32/56/367483256.db2.gz GHBJUHQXECISAV-VWYCJHECSA-N 1 0 235.318 2.418 10 0 BEAERO CC(C)c1cc(N[C@@H]2CC[C@H](C[NH3+])C2)ncn1 ZINC000382488124 367531547 /nfs/dbraw/zinc/53/15/47/367531547.db2.gz HGDNSQBAIPIMGT-WDEREUQCSA-N 1 0 234.347 2.139 10 0 BEAERO COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000382546554 367536270 /nfs/dbraw/zinc/53/62/70/367536270.db2.gz DGOIGHZDNJMVSW-YRGRVCCFSA-N 1 0 243.391 2.188 10 0 BEAERO CC[C@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000382333979 367509816 /nfs/dbraw/zinc/50/98/16/367509816.db2.gz XJYJFFMEOKMNDS-ZDEQEGDKSA-N 1 0 211.349 2.173 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000581595159 367622209 /nfs/dbraw/zinc/62/22/09/367622209.db2.gz SDBAULYHZFCJTH-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO [NH3+]CC[C@H](Nc1nc2ccccc2o1)C(F)F ZINC000383494591 367629139 /nfs/dbraw/zinc/62/91/39/367629139.db2.gz XRXOWFXJLBSGJK-QMMMGPOBSA-N 1 0 241.241 2.222 10 0 BEAERO [NH3+]C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000019476348 181434284 /nfs/dbraw/zinc/43/42/84/181434284.db2.gz HIKVOGGGLACFOI-VIFPVBQESA-N 1 0 244.260 2.490 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nc2ccccc2s1 ZINC000385106040 367792598 /nfs/dbraw/zinc/79/25/98/367792598.db2.gz QWDJXXMKTZDEIY-RKDXNWHRSA-N 1 0 233.340 2.222 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]CCC1(F)CCC1 ZINC000581812268 367829594 /nfs/dbraw/zinc/82/95/94/367829594.db2.gz QQLCHLDGFUIASQ-LBPRGKRZSA-N 1 0 247.354 2.036 10 0 BEAERO CCC[C@@H]1C[C@@H]1N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386173637 367923856 /nfs/dbraw/zinc/92/38/56/367923856.db2.gz WUQZWJZLGABMMU-RNJOBUHISA-N 1 0 210.365 2.295 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])[C@H](OCC(F)F)[C@@H](C)C1 ZINC000252725522 367896188 /nfs/dbraw/zinc/89/61/88/367896188.db2.gz MZEOJXQFBNKBRC-IBCQBUCCSA-N 1 0 207.264 2.030 10 0 BEAERO Cc1cnc(N[C@@H]2CCCC[C@H]2C[NH3+])nc1C ZINC000386633850 368005103 /nfs/dbraw/zinc/00/51/03/368005103.db2.gz GZHPQQIYXLAWEV-NWDGAFQWSA-N 1 0 234.347 2.023 10 0 BEAERO [NH3+]C[C@]1(Cc2cncs2)C[C@H]2C[C@H]2C1 ZINC000252756221 368014944 /nfs/dbraw/zinc/01/49/44/368014944.db2.gz DOBWLIBGHKBKOO-DOFRTFSJSA-N 1 0 208.330 2.061 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000399512322 368171214 /nfs/dbraw/zinc/17/12/14/368171214.db2.gz LUJJCIBBFTXKJK-WDEREUQCSA-N 1 0 228.380 2.254 10 0 BEAERO CCC[C@@H]1[NH2+]CCN2CCNc3cccc1c32 ZINC000224596036 368366550 /nfs/dbraw/zinc/36/65/50/368366550.db2.gz PEHPQLMKTRVFLZ-LBPRGKRZSA-N 1 0 231.343 2.363 10 0 BEAERO C[C@@H]1Cc2ccccc2N([C@H]2CC[NH2+]C2)C1 ZINC000101628381 368381047 /nfs/dbraw/zinc/38/10/47/368381047.db2.gz XVHNUQIVAVFLQU-YPMHNXCESA-N 1 0 216.328 2.047 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000253067884 368444578 /nfs/dbraw/zinc/44/45/78/368444578.db2.gz KIMYANVRAWRQBF-OPRDCNLKSA-N 1 0 214.378 2.029 10 0 BEAERO Cc1ccc(NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000001564634 368648508 /nfs/dbraw/zinc/64/85/08/368648508.db2.gz CVUAJARDMJGANW-OAHLLOKOSA-N 1 0 248.370 2.254 10 0 BEAERO C[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000082994160 368731232 /nfs/dbraw/zinc/73/12/32/368731232.db2.gz ZAVOJLWISZOBMR-LPEHRKFASA-N 1 0 239.281 2.468 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000110814999 368814890 /nfs/dbraw/zinc/81/48/90/368814890.db2.gz SNWVURNCKDCJHZ-CHWSQXEVSA-N 1 0 238.375 2.025 10 0 BEAERO [NH2+]=C1N[C@@H](c2ccc(Cl)c(Cl)c2)CO1 ZINC000083952635 368845390 /nfs/dbraw/zinc/84/53/90/368845390.db2.gz HGGPGNSCBBAGJN-MRVPVSSYSA-N 1 0 231.082 2.379 10 0 BEAERO C[NH+](C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 ZINC000003798321 368882907 /nfs/dbraw/zinc/88/29/07/368882907.db2.gz POFUCJDEJGFAAC-GFCCVEGCSA-N 1 0 242.322 2.399 10 0 BEAERO Nc1ccc([C@H]2CNC(=[NH2+])c3ccccc32)cc1 ZINC000114426392 368939699 /nfs/dbraw/zinc/93/96/99/368939699.db2.gz UPWQEZZIGKLFKK-CQSZACIVSA-N 1 0 237.306 2.120 10 0 BEAERO Nc1ccc2c(c1)CCN2c1cc[nH+]cc1 ZINC000114607826 368944860 /nfs/dbraw/zinc/94/48/60/368944860.db2.gz DJKSFLXPKJKOJF-UHFFFAOYSA-N 1 0 211.268 2.358 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)C2=O ZINC000114854650 368955329 /nfs/dbraw/zinc/95/53/29/368955329.db2.gz OUESEJKQHNDBKF-NSHDSACASA-N 1 0 219.284 2.308 10 0 BEAERO c1ccc(C2CC2)c(CC2=[NH+]CCN2)c1 ZINC000114915680 368957362 /nfs/dbraw/zinc/95/73/62/368957362.db2.gz KZADRQIBKLJVPB-UHFFFAOYSA-N 1 0 200.285 2.108 10 0 BEAERO Cc1ccc(NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000005553232 369027370 /nfs/dbraw/zinc/02/73/70/369027370.db2.gz CVUAJARDMJGANW-HNNXBMFYSA-N 1 0 248.370 2.254 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](COc2ccccc2Cl)O1 ZINC000052664663 181466204 /nfs/dbraw/zinc/46/62/04/181466204.db2.gz KSTIMTXICJCHDD-ZJUUUORDSA-N 1 0 241.718 2.225 10 0 BEAERO C[C@@H]([NH3+])C(=O)c1cccc(C2CCC2)c1 ZINC000107193043 369334808 /nfs/dbraw/zinc/33/48/08/369334808.db2.gz WSPJWKYHUAKULG-SECBINFHSA-N 1 0 203.285 2.484 10 0 BEAERO C[C@@H]1C[C@@](O)(c2cccs2)CC[N@@H+]1C ZINC000107151971 369310332 /nfs/dbraw/zinc/31/03/32/369310332.db2.gz XBHAEMOWEVBSCR-MWLCHTKSSA-N 1 0 211.330 2.050 10 0 BEAERO C[C@H]1C[C@](O)(c2cccs2)CC[N@@H+]1C ZINC000107151968 369310479 /nfs/dbraw/zinc/31/04/79/369310479.db2.gz XBHAEMOWEVBSCR-ONGXEEELSA-N 1 0 211.330 2.050 10 0 BEAERO [NH3+]Cc1ccc(CN2CCCCCC2=O)cc1 ZINC000019388376 181482314 /nfs/dbraw/zinc/48/23/14/181482314.db2.gz PIDVYYQPAVQTOM-UHFFFAOYSA-N 1 0 232.327 2.048 10 0 BEAERO [NH3+]Cc1ccc(OCc2ccco2)c(F)c1 ZINC000020469912 181485355 /nfs/dbraw/zinc/48/53/55/181485355.db2.gz MIDNAXUUGBTPOY-UHFFFAOYSA-N 1 0 221.231 2.456 10 0 BEAERO [NH3+]Cc1ccc(OC[C@H]2CCCCO2)cc1 ZINC000019865596 181486127 /nfs/dbraw/zinc/48/61/27/181486127.db2.gz YKDFYVSLDJNVLJ-CYBMUJFWSA-N 1 0 221.300 2.093 10 0 BEAERO CCC(C)(C)OCC[NH2+]C[C@H](O)C(C)(C)C ZINC000308687728 370149850 /nfs/dbraw/zinc/14/98/50/370149850.db2.gz BHXNLNUMLDRWTM-NSHDSACASA-N 1 0 231.380 2.188 10 0 BEAERO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccn1 ZINC000308716570 370152131 /nfs/dbraw/zinc/15/21/31/370152131.db2.gz BPLYKXJBPZSAFL-GHMZBOCLSA-N 1 0 208.330 2.065 10 0 BEAERO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000308716585 370152193 /nfs/dbraw/zinc/15/21/93/370152193.db2.gz BPLYKXJBPZSAFL-QWRGUYRKSA-N 1 0 208.330 2.065 10 0 BEAERO CS[C@H]1CC[C@H]1[NH2+]Cc1ccccn1 ZINC000308716578 370152278 /nfs/dbraw/zinc/15/22/78/370152278.db2.gz BPLYKXJBPZSAFL-MNOVXSKESA-N 1 0 208.330 2.065 10 0 BEAERO Cc1nccnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000621368685 370303471 /nfs/dbraw/zinc/30/34/71/370303471.db2.gz ZQSRECLZMJMNCP-QJPTWQEYSA-N 1 0 217.316 2.063 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C[C@@H]1CO ZINC000621374287 370315935 /nfs/dbraw/zinc/31/59/35/370315935.db2.gz YBRQDAYFFTZGBH-BPLDGKMQSA-N 1 0 245.366 2.277 10 0 BEAERO CCCC1(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000310338086 370336096 /nfs/dbraw/zinc/33/60/96/370336096.db2.gz CBFUJMKHLLYEAZ-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@H]1CCN[C@H](c2cncs2)S1 ZINC000161613544 370604458 /nfs/dbraw/zinc/60/44/58/370604458.db2.gz OEFJLVYJDDFLFL-XPUUQOCRSA-N 1 0 200.332 2.257 10 0 BEAERO C[C@H]1CN[C@H](c2cncs2)SC1 ZINC000161612486 370604900 /nfs/dbraw/zinc/60/49/00/370604900.db2.gz HIXVKZOIPQVNKJ-XPUUQOCRSA-N 1 0 200.332 2.114 10 0 BEAERO C[C@H]([NH3+])c1csc(-c2nccs2)n1 ZINC000161603195 370569605 /nfs/dbraw/zinc/56/96/05/370569605.db2.gz LBXSGNPTCKKULZ-YFKPBYRVSA-N 1 0 211.315 2.286 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CCOCC1CCCC1 ZINC000313254619 370574432 /nfs/dbraw/zinc/57/44/32/370574432.db2.gz QFGFRVDQMIWVLT-ZDUSSCGKSA-N 1 0 243.391 2.190 10 0 BEAERO CC(C)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000623763779 371086663 /nfs/dbraw/zinc/08/66/63/371086663.db2.gz OYIUJBPHHQTZIP-GJZGRUSLSA-N 1 0 249.354 2.049 10 0 BEAERO CSC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000390287425 371194279 /nfs/dbraw/zinc/19/42/79/371194279.db2.gz XLAFZDQQFGBVEU-VXGBXAGGSA-N 1 0 243.416 2.365 10 0 BEAERO [NH3+][C@@H](Cc1cccs1)c1cccnc1 ZINC000038128692 181558736 /nfs/dbraw/zinc/55/87/36/181558736.db2.gz DHNQNNPMJGABNI-NSHDSACASA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@@H](c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000062230352 181562454 /nfs/dbraw/zinc/56/24/54/181562454.db2.gz VYHZUGCELDZRAI-JQWIXIFHSA-N 1 0 209.264 2.252 10 0 BEAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000034939669 181563974 /nfs/dbraw/zinc/56/39/74/181563974.db2.gz LHFSWWSCRXMSHM-KGLIPLIRSA-N 1 0 217.312 2.354 10 0 BEAERO [NH3+][C@@H](c1ccccc1)c1cncc(F)c1 ZINC000049576225 181566318 /nfs/dbraw/zinc/56/63/18/181566318.db2.gz FLZYENYGBIACPO-LBPRGKRZSA-N 1 0 202.232 2.269 10 0 BEAERO [NH3+][C@@H]1CC=CC[C@H]1c1ccc2c(c1)OCO2 ZINC000001711672 181571885 /nfs/dbraw/zinc/57/18/85/181571885.db2.gz ZYDHIKVFSMROBY-WDEREUQCSA-N 1 0 217.268 2.176 10 0 BEAERO [NH3+][C@@H]1CCc2ncc(C(F)(F)F)cc21 ZINC000082913481 181594364 /nfs/dbraw/zinc/59/43/64/181594364.db2.gz QGWPRRAQSVVDOI-SSDOTTSWSA-N 1 0 202.179 2.046 10 0 BEAERO C[NH+]1CCC(Oc2ccc(N)cc2Cl)CC1 ZINC000020351977 371269502 /nfs/dbraw/zinc/26/95/02/371269502.db2.gz JRLFGXKFOQXSBO-UHFFFAOYSA-N 1 0 240.734 2.395 10 0 BEAERO [NH3+][C@@]12CC=CC[C@@H]1COc1ccccc12 ZINC000026168265 181605150 /nfs/dbraw/zinc/60/51/50/181605150.db2.gz KQYZGYNBLDWQRW-MFKMUULPSA-N 1 0 201.269 2.199 10 0 BEAERO [NH3+][C@H](c1ccoc1)c1ccc2c(c1)CCC(=O)N2 ZINC000035081521 181635391 /nfs/dbraw/zinc/63/53/91/181635391.db2.gz SAYTWQADNVSEFH-AWEZNQCLSA-N 1 0 242.278 2.212 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000033867556 181646042 /nfs/dbraw/zinc/64/60/42/181646042.db2.gz DAZNTCWAWDDQMO-KGLIPLIRSA-N 1 0 219.328 2.206 10 0 BEAERO [NH3+][C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1 ZINC000082378388 181660654 /nfs/dbraw/zinc/66/06/54/181660654.db2.gz QOWIIXDYTROTMB-SSDOTTSWSA-N 1 0 206.676 2.247 10 0 BEAERO C[C@H](Cc1cccs1)[NH2+]CC1CC(O)C1 ZINC000624215682 371402380 /nfs/dbraw/zinc/40/23/80/371402380.db2.gz YIHRURQTQFOQAS-KPPDAEKUSA-N 1 0 225.357 2.040 10 0 BEAERO CCCCN(CC[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000053427183 168810729 /nfs/dbraw/zinc/81/07/29/168810729.db2.gz IXXSMBXQWMHNKJ-AWEZNQCLSA-N 1 0 240.391 2.020 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(C)cc1 ZINC000624235016 371421937 /nfs/dbraw/zinc/42/19/37/371421937.db2.gz BMZIGUBQVXZCTA-SOUVJXGZSA-N 1 0 249.354 2.186 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cc1C ZINC000624235678 371422816 /nfs/dbraw/zinc/42/28/16/371422816.db2.gz NVBWQKQKXGCNNR-QEJZJMRPSA-N 1 0 249.354 2.104 10 0 BEAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624239230 371428369 /nfs/dbraw/zinc/42/83/69/371428369.db2.gz GQOXLXJHDDWZPO-RWMBFGLXSA-N 1 0 241.375 2.085 10 0 BEAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624239229 371429108 /nfs/dbraw/zinc/42/91/08/371429108.db2.gz GQOXLXJHDDWZPO-AVGNSLFASA-N 1 0 241.375 2.085 10 0 BEAERO CC1(C)CS[C@H](c2cscn2)N1 ZINC000126800205 371551808 /nfs/dbraw/zinc/55/18/08/371551808.db2.gz HYVHVQXIPZHZDR-SSDOTTSWSA-N 1 0 200.332 2.257 10 0 BEAERO Brc1cncc(/C=C2/CC[NH2+]C2)c1 ZINC000161905037 371579650 /nfs/dbraw/zinc/57/96/50/371579650.db2.gz FLZGLMBTOGRPJE-BAQGIRSFSA-N 1 0 239.116 2.221 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccccc2CO)CC1 ZINC000215726846 371621337 /nfs/dbraw/zinc/62/13/37/371621337.db2.gz GYKJNDIKXCIYLF-GFCCVEGCSA-N 1 0 219.328 2.378 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(F)ccc1C ZINC000216019968 371679326 /nfs/dbraw/zinc/67/93/26/371679326.db2.gz QRBGELUBYOETRN-LLVKDONJSA-N 1 0 225.263 2.087 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)C1CCCCCC1 ZINC000226378986 371656917 /nfs/dbraw/zinc/65/69/17/371656917.db2.gz HXAYZRQVLDCBKL-ZYHUDNBSSA-N 1 0 209.333 2.381 10 0 BEAERO CC(C)[NH2+]C[C@H](C)NCc1ccccc1 ZINC000162333008 371660287 /nfs/dbraw/zinc/66/02/87/371660287.db2.gz UXFAQUPFHJWZMV-LBPRGKRZSA-N 1 0 206.333 2.163 10 0 BEAERO C[C@H]([NH3+])c1cnc(N2CCC[C@@H]2C)s1 ZINC000226646310 371714861 /nfs/dbraw/zinc/71/48/61/371714861.db2.gz FIQHMERAQBIHLL-YUMQZZPRSA-N 1 0 211.334 2.152 10 0 BEAERO Cc1ccc(C(=O)CC2([NH3+])CCC2)cc1 ZINC000226673482 371721492 /nfs/dbraw/zinc/72/14/92/371721492.db2.gz MQZUTULKPFETIZ-UHFFFAOYSA-N 1 0 203.285 2.449 10 0 BEAERO c1ccc(S[C@H]2CCCC[NH2+]C2)nc1 ZINC000132134382 371758028 /nfs/dbraw/zinc/75/80/28/371758028.db2.gz IHBZQLIQXZDDPA-JTQLQIEISA-N 1 0 208.330 2.316 10 0 BEAERO Cc1cc([C@@H](O)[C@H](C)C[NH3+])ccc1Cl ZINC000132218370 371768410 /nfs/dbraw/zinc/76/84/10/371768410.db2.gz UFZLLETUMTXLLX-KCJUWKMLSA-N 1 0 213.708 2.277 10 0 BEAERO CNc1cc(NCC(F)(F)F)cc[nH+]1 ZINC000227650303 371913622 /nfs/dbraw/zinc/91/36/22/371913622.db2.gz OWQUUPWOOHXXTG-UHFFFAOYSA-N 1 0 205.183 2.098 10 0 BEAERO Nc1cc(Sc2ccccn2)ccn1 ZINC000227672809 371920195 /nfs/dbraw/zinc/92/01/95/371920195.db2.gz SDQZJENDWUAXBZ-UHFFFAOYSA-N 1 0 203.270 2.210 10 0 BEAERO [NH3+]Cc1c(Br)sc2c1CCOC2 ZINC000132818267 371928515 /nfs/dbraw/zinc/92/85/15/371928515.db2.gz GTXSSQVBRSKTFI-UHFFFAOYSA-N 1 0 248.145 2.042 10 0 BEAERO C[Si](C)(C)C[C@@]1(C[NH3+])CCCOC1 ZINC000230927233 371977276 /nfs/dbraw/zinc/97/72/76/371977276.db2.gz CVUJKLVLNXONSF-SNVBAGLBSA-N 1 0 201.386 2.080 10 0 BEAERO CSc1nnc(S[C@@H]2CCC[NH2+]C2)s1 ZINC000228043641 371981882 /nfs/dbraw/zinc/98/18/82/371981882.db2.gz OPNXSKMJTDWTFP-ZCFIWIBFSA-N 1 0 247.414 2.104 10 0 BEAERO Brc1ccc(/C=C2/CC[NH2+]C2)o1 ZINC000306404105 372017260 /nfs/dbraw/zinc/01/72/60/372017260.db2.gz UUHCLFZOUUCKLH-ALCCZGGFSA-N 1 0 228.089 2.419 10 0 BEAERO C[NH2+][C@H]1COc2c1c(Br)ccc2C ZINC000228358055 372018871 /nfs/dbraw/zinc/01/88/71/372018871.db2.gz DYRCJSGVKAMRCH-QMMMGPOBSA-N 1 0 242.116 2.410 10 0 BEAERO CC(C)(C)c1nnsc1[C@H]([NH3+])C1CC1 ZINC000163615067 372020492 /nfs/dbraw/zinc/02/04/92/372020492.db2.gz YPIWLLVGKRUOBL-SSDOTTSWSA-N 1 0 211.334 2.245 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])c1ccc(Br)cn1 ZINC000133348136 372028028 /nfs/dbraw/zinc/02/80/28/372028028.db2.gz RCXAGVMYYZARSM-MUWHJKNJSA-N 1 0 227.105 2.038 10 0 BEAERO CC(C)NC(=[NH2+])c1ccc(Br)cn1 ZINC000133375870 372034042 /nfs/dbraw/zinc/03/40/42/372034042.db2.gz ZXHPSXLPVZWSPA-UHFFFAOYSA-N 1 0 242.120 2.167 10 0 BEAERO CCCCN(c1nccnc1C[NH3+])[C@H](C)CC ZINC000054377914 168822106 /nfs/dbraw/zinc/82/21/06/168822106.db2.gz NTXROHGQHSFCFP-LLVKDONJSA-N 1 0 236.363 2.340 10 0 BEAERO CCSCC[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000133936590 372136077 /nfs/dbraw/zinc/13/60/77/372136077.db2.gz WVCHGSLGOWAXLX-QWRGUYRKSA-N 1 0 246.420 2.008 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CO[C@H](C)C2)cs1 ZINC000229451705 372153413 /nfs/dbraw/zinc/15/34/13/372153413.db2.gz UAYATSAUHPJZIT-BCMRRPTOSA-N 1 0 211.330 2.481 10 0 BEAERO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=S ZINC000134185080 372176333 /nfs/dbraw/zinc/17/63/33/372176333.db2.gz QDAFHHFTMGQUFL-LPEHRKFASA-N 1 0 214.378 2.172 10 0 BEAERO [NH3+][C@H](c1cnsc1)[C@@H]1CCCS1 ZINC000405010331 372129835 /nfs/dbraw/zinc/12/98/35/372129835.db2.gz OEYKLQBCWHFRRW-JGVFFNPUSA-N 1 0 200.332 2.039 10 0 BEAERO CC(C)CNC1=[NH+][C@H](C)[C@H](C)CS1 ZINC000229743948 372189185 /nfs/dbraw/zinc/18/91/85/372189185.db2.gz JGTYTSUSQMUXDZ-RKDXNWHRSA-N 1 0 200.351 2.359 10 0 BEAERO C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)s2)C1 ZINC000134349194 372197522 /nfs/dbraw/zinc/19/75/22/372197522.db2.gz AQSWRDVDUWQJKC-JTQLQIEISA-N 1 0 231.748 2.315 10 0 BEAERO C[C@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631838650 372633457 /nfs/dbraw/zinc/63/34/57/372633457.db2.gz SIDFNTBIXUPLCG-IUCAKERBSA-N 1 0 244.791 2.428 10 0 BEAERO Cc1cccc(NC2=[NH+]CCN2)c1Cl ZINC000038676145 372739135 /nfs/dbraw/zinc/73/91/35/372739135.db2.gz BFGSSXYIVHXPCN-UHFFFAOYSA-N 1 0 209.680 2.020 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]1)OC1CCCCC1 ZINC000042164193 182018249 /nfs/dbraw/zinc/01/82/49/182018249.db2.gz VSVBTSBIYRNGPS-JTQLQIEISA-N 1 0 211.305 2.004 10 0 BEAERO O=C(Cc1ccc(F)cc1)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000049716394 182035611 /nfs/dbraw/zinc/03/56/11/182035611.db2.gz BFGULVPFZIQLQB-GXTWGEPZSA-N 1 0 247.313 2.422 10 0 BEAERO O=C(Cc1ccccc1)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000049716419 182043564 /nfs/dbraw/zinc/04/35/64/182043564.db2.gz GTVFOOWVUUJKOY-UONOGXRCSA-N 1 0 229.323 2.283 10 0 BEAERO O=C(Cc1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000041243574 182045034 /nfs/dbraw/zinc/04/50/34/182045034.db2.gz SPCHEVNHMSKKKE-LLVKDONJSA-N 1 0 223.703 2.204 10 0 BEAERO CC[C@@]1(C)CN(Cc2ccccc2)CC[NH2+]1 ZINC000068693094 373045148 /nfs/dbraw/zinc/04/51/48/373045148.db2.gz OREXJOCPLOMSLF-AWEZNQCLSA-N 1 0 218.344 2.261 10 0 BEAERO CCOc1ccccc1C[NH2+][C@H]1CCCN(C)C1 ZINC000040671691 373589395 /nfs/dbraw/zinc/58/93/95/373589395.db2.gz XIVDXBMBBYYPIV-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCCN(C)C2)cc(C)c1O ZINC000040672615 373590657 /nfs/dbraw/zinc/59/06/57/373590657.db2.gz SZTLMEKOSMRTAR-CQSZACIVSA-N 1 0 248.370 2.193 10 0 BEAERO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000185175765 205709912 /nfs/dbraw/zinc/70/99/12/205709912.db2.gz LTROWPRCNIONNK-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(C)s1 ZINC000069799722 373807805 /nfs/dbraw/zinc/80/78/05/373807805.db2.gz KMRQUXJYTMNNNO-MWLCHTKSSA-N 1 0 210.346 2.151 10 0 BEAERO O[C@@H](c1cccs1)[C@@H]1CCCCC[NH2+]1 ZINC000069843339 373874682 /nfs/dbraw/zinc/87/46/82/373874682.db2.gz LEYSGLMZJUZZJY-GXSJLCMTSA-N 1 0 211.330 2.314 10 0 BEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000019472034 182198833 /nfs/dbraw/zinc/19/88/33/182198833.db2.gz IDDNFEXWVRYNIH-LBPRGKRZSA-N 1 0 247.342 2.340 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000069938799 374081514 /nfs/dbraw/zinc/08/15/14/374081514.db2.gz OAULTFZNJXCAPY-OIBJUYFYSA-N 1 0 241.132 2.342 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ccc(Cl)cn1 ZINC000070010695 374110296 /nfs/dbraw/zinc/11/02/96/374110296.db2.gz FQWXXKZYMGKQBK-VIFPVBQESA-N 1 0 213.712 2.130 10 0 BEAERO C[NH+](C)[C@H](CO)c1cccc(Br)c1 ZINC000041289816 374125172 /nfs/dbraw/zinc/12/51/72/374125172.db2.gz YJYKVNGIWFBNNB-SNVBAGLBSA-N 1 0 244.132 2.044 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@H](C)S1)c1nccs1 ZINC000070734421 374182097 /nfs/dbraw/zinc/18/20/97/374182097.db2.gz OXJNNLINXRDDJW-NKWVEPMBSA-N 1 0 227.358 2.285 10 0 BEAERO CC[C@@H](NC1=[NH+]CCS1)c1nccs1 ZINC000070734380 374183153 /nfs/dbraw/zinc/18/31/53/374183153.db2.gz LSANHRIAOMQPSQ-SSDOTTSWSA-N 1 0 227.358 2.287 10 0 BEAERO [NH3+][C@@H]1CCc2c(Br)cccc2C1 ZINC000143359183 374171984 /nfs/dbraw/zinc/17/19/84/374171984.db2.gz OADHVGRYEZJLPL-MRVPVSSYSA-N 1 0 226.117 2.265 10 0 BEAERO CC[C@](C)(C[NH3+])Nc1ncccc1Cl ZINC000070894661 374225668 /nfs/dbraw/zinc/22/56/68/374225668.db2.gz AEVUTOGTTDKWRS-SNVBAGLBSA-N 1 0 213.712 2.274 10 0 BEAERO Cc1ncsc1CNC1=[NH+][C@H](C)CS1 ZINC000070916981 374229897 /nfs/dbraw/zinc/22/98/97/374229897.db2.gz FGZGCHOHDBPWOB-ZCFIWIBFSA-N 1 0 227.358 2.032 10 0 BEAERO O=C([C@H]1CC=CCC1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358521 182633616 /nfs/dbraw/zinc/63/36/16/182633616.db2.gz DEIZMVBKBUNYAY-MELADBBJSA-N 1 0 248.370 2.086 10 0 BEAERO O=C1Nc2ccccc2CN1C[C@@H]1CCCC[NH2+]1 ZINC000095077842 182824109 /nfs/dbraw/zinc/82/41/09/182824109.db2.gz GIBMUUCURRFUOQ-LBPRGKRZSA-N 1 0 245.326 2.176 10 0 BEAERO O=S1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000042336010 182917745 /nfs/dbraw/zinc/91/77/45/182917745.db2.gz QPPCCIMRFFMIJS-TVIZTDCDSA-N 1 0 249.379 2.175 10 0 BEAERO CCCCS(=O)(=O)C[C@H]([NH3+])C1CCCCC1 ZINC000075418116 168923213 /nfs/dbraw/zinc/92/32/13/168923213.db2.gz VEQHLHLKEWEMJA-LBPRGKRZSA-N 1 0 247.404 2.109 10 0 BEAERO OC1(C[NH2+]CC2CCOCC2)CCCCCC1 ZINC000104198541 183018702 /nfs/dbraw/zinc/01/87/02/183018702.db2.gz XLBBIFDZIYYMBE-UHFFFAOYSA-N 1 0 241.375 2.088 10 0 BEAERO OC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC000037886771 183019033 /nfs/dbraw/zinc/01/90/33/183019033.db2.gz KTIHPMJBNAPLRJ-UHFFFAOYSA-N 1 0 211.349 2.461 10 0 BEAERO OCCCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000171065477 183048608 /nfs/dbraw/zinc/04/86/08/183048608.db2.gz KCGZPLGEELQSNI-LLVKDONJSA-N 1 0 240.372 2.443 10 0 BEAERO OCC1(C[NH+]2CCCCCC2)CCCC1 ZINC000049815048 183035670 /nfs/dbraw/zinc/03/56/70/183035670.db2.gz OUSWUDZFOXTHKH-UHFFFAOYSA-N 1 0 211.349 2.415 10 0 BEAERO OCCCSCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309611359 183061950 /nfs/dbraw/zinc/06/19/50/183061950.db2.gz ZOEDQUURCBVNNQ-NEPJUHHUSA-N 1 0 249.395 2.220 10 0 BEAERO OCC[C@H]([NH2+]C1CC1)c1nccc2ccccc21 ZINC000095078780 183096682 /nfs/dbraw/zinc/09/66/82/183096682.db2.gz CAXATLMYAYWTEM-AWEZNQCLSA-N 1 0 242.322 2.410 10 0 BEAERO CCCC[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000310033677 168991319 /nfs/dbraw/zinc/99/13/19/168991319.db2.gz SBWYBHPSKOTWHQ-WDEREUQCSA-N 1 0 226.364 2.212 10 0 BEAERO OCC[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000301000454 183094205 /nfs/dbraw/zinc/09/42/05/183094205.db2.gz VSJPFXHTOFMJOS-QWRGUYRKSA-N 1 0 233.302 2.126 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000075620941 183115463 /nfs/dbraw/zinc/11/54/63/183115463.db2.gz QKPGXCUJBYOAJY-AAEUAGOBSA-N 1 0 211.349 2.460 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000219001495 183116054 /nfs/dbraw/zinc/11/60/54/183116054.db2.gz HQJGEUBRCLOQMI-JSGCOSHPSA-N 1 0 237.318 2.466 10 0 BEAERO CCCC[C@H]([NH3+])CN(C)CCc1ccncc1 ZINC000048260213 169008450 /nfs/dbraw/zinc/00/84/50/169008450.db2.gz AYOZBAWVKSOEHN-AWEZNQCLSA-N 1 0 235.375 2.073 10 0 BEAERO CCCC[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969710 169008993 /nfs/dbraw/zinc/00/89/93/169008993.db2.gz SHYQBXAHGTYLOO-NSHDSACASA-N 1 0 218.300 2.371 10 0 BEAERO OCC[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000310027916 183099318 /nfs/dbraw/zinc/09/93/18/183099318.db2.gz ISGCDDSHIHSREW-IJVDHGTGSA-N 1 0 231.339 2.404 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000128033852 183099338 /nfs/dbraw/zinc/09/93/38/183099338.db2.gz PWWSYKKPTYOTIA-SNVBAGLBSA-N 1 0 241.281 2.169 10 0 BEAERO OC[C@@]1([NH2+]C2CCCC2)CCOc2ccccc21 ZINC000038122635 183133456 /nfs/dbraw/zinc/13/34/56/183133456.db2.gz APVOKIGZABYWQK-HNNXBMFYSA-N 1 0 247.338 2.189 10 0 BEAERO OC[C@@]1([NH2+]Cc2cccs2)CCCSC1 ZINC000061590907 183134800 /nfs/dbraw/zinc/13/48/00/183134800.db2.gz IBSGDNXNQHJYFY-NSHDSACASA-N 1 0 243.397 2.096 10 0 BEAERO OC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000144795635 183135722 /nfs/dbraw/zinc/13/57/22/183135722.db2.gz HUMHLGKGPBRHRM-CABCVRRESA-N 1 0 231.339 2.281 10 0 BEAERO CCCCc1ccc(NC(=O)NCC[NH3+])cc1 ZINC000077371485 169020628 /nfs/dbraw/zinc/02/06/28/169020628.db2.gz RQFPVDDGGDEHAA-UHFFFAOYSA-N 1 0 235.331 2.109 10 0 BEAERO CCCCc1ccc(N2CC[C@H]([NH3+])C2=O)cc1 ZINC000049648135 169020706 /nfs/dbraw/zinc/02/07/06/169020706.db2.gz MZUUDOMRRXRDPB-ZDUSSCGKSA-N 1 0 232.327 2.093 10 0 BEAERO CCCCc1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000057535941 169020809 /nfs/dbraw/zinc/02/08/09/169020809.db2.gz LOEJQLOUJDSJFO-UHFFFAOYSA-N 1 0 246.398 2.477 10 0 BEAERO OC[C@H]([NH2+]C1CC1)c1ccc(F)c(Cl)c1 ZINC000083264189 183138271 /nfs/dbraw/zinc/13/82/71/183138271.db2.gz MCEGQYMDLMYNNC-NSHDSACASA-N 1 0 229.682 2.265 10 0 BEAERO OC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)cc1 ZINC000026946099 183127543 /nfs/dbraw/zinc/12/75/43/183127543.db2.gz QQXBTMFNFFQODP-CMPLNLGQSA-N 1 0 225.719 2.025 10 0 BEAERO OC[C@@H]1C[C@H]([NH2+]CC2CC2)c2ccccc21 ZINC000376958216 183129951 /nfs/dbraw/zinc/12/99/51/183129951.db2.gz OKACOYGNDXXMRZ-FZMZJTMJSA-N 1 0 217.312 2.207 10 0 BEAERO OC[C@H]1CCCC[N@H+](Cc2cccc(F)c2)C1 ZINC000374052563 183147464 /nfs/dbraw/zinc/14/74/64/183147464.db2.gz VQWGKOFUQSAILT-ZDUSSCGKSA-N 1 0 237.318 2.420 10 0 BEAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000164262577 183148686 /nfs/dbraw/zinc/14/86/86/183148686.db2.gz IXRQEHVXCWURIJ-PWSUYJOCSA-N 1 0 225.357 2.389 10 0 BEAERO OC[C@H]1CCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336144556 183149087 /nfs/dbraw/zinc/14/90/87/183149087.db2.gz CBIMUGBMENEGHW-QWRGUYRKSA-N 1 0 233.302 2.126 10 0 BEAERO CCCN(C(=O)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000037541651 169041315 /nfs/dbraw/zinc/04/13/15/169041315.db2.gz NLZKYMBJJDIPCL-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO OCc1cc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000050911866 183161450 /nfs/dbraw/zinc/16/14/50/183161450.db2.gz RCXINPFVAQBUGT-UHFFFAOYSA-N 1 0 226.279 2.094 10 0 BEAERO CCCN(C(=O)[C@@]1(CCC)CC[NH2+]C1)C1CC1 ZINC000062890316 169045519 /nfs/dbraw/zinc/04/55/19/169045519.db2.gz QCQLQGWUBIXJNU-AWEZNQCLSA-N 1 0 238.375 2.167 10 0 BEAERO CCCN(C(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000058040477 169043283 /nfs/dbraw/zinc/04/32/83/169043283.db2.gz QTWHFJVFMAHKRT-UHFFFAOYSA-N 1 0 242.363 2.386 10 0 BEAERO O[C@@H](C[NH2+]C1CCC1)c1ccc(F)cc1F ZINC000052209918 183178310 /nfs/dbraw/zinc/17/83/10/183178310.db2.gz AXITUYOYJQTSDU-LBPRGKRZSA-N 1 0 227.254 2.140 10 0 BEAERO CCCN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000055086980 169046751 /nfs/dbraw/zinc/04/67/51/169046751.db2.gz CXHOJJIJJFXRLS-RYUDHWBXSA-N 1 0 226.364 2.151 10 0 BEAERO O[C@@H](C[NH2+]CCc1ccncc1)c1cccs1 ZINC000037894884 183178764 /nfs/dbraw/zinc/17/87/64/183178764.db2.gz RRFXKSQHWLIXFI-LBPRGKRZSA-N 1 0 248.351 2.009 10 0 BEAERO O[C@@H](Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000041282858 183183662 /nfs/dbraw/zinc/18/36/62/183183662.db2.gz ABIFDCFCWFLQHB-AAEUAGOBSA-N 1 0 239.746 2.243 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCC2)C1CC[NH2+]CC1 ZINC000036162449 183184587 /nfs/dbraw/zinc/18/45/87/183184587.db2.gz HGDVPNZMBQUFTE-OAHLLOKOSA-N 1 0 231.339 2.208 10 0 BEAERO OCc1ccc(OCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000052765188 183166245 /nfs/dbraw/zinc/16/62/45/183166245.db2.gz MOWSFFFPZBWMKS-ZDUSSCGKSA-N 1 0 235.327 2.090 10 0 BEAERO O[C@@H](c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000036162534 183184618 /nfs/dbraw/zinc/18/46/18/183184618.db2.gz OJXFFKWTXGQWAU-GMSGAONNSA-N 1 0 231.748 2.435 10 0 BEAERO O[C@@H](c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000034273281 183184645 /nfs/dbraw/zinc/18/46/45/183184645.db2.gz DBZBXEVTIAXPOA-NEPJUHHUSA-N 1 0 209.264 2.001 10 0 BEAERO O[C@@H](CCCc1ccccc1)C1CC[NH2+]CC1 ZINC000041261867 183172796 /nfs/dbraw/zinc/17/27/96/183172796.db2.gz PHBUEPAPOYPPSC-HNNXBMFYSA-N 1 0 233.355 2.370 10 0 BEAERO O[C@@H](CCc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000071532483 183173613 /nfs/dbraw/zinc/17/36/13/183173613.db2.gz RJBKRAGCQDMLQP-JQWIXIFHSA-N 1 0 225.357 2.041 10 0 BEAERO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000125655343 183196795 /nfs/dbraw/zinc/19/67/95/183196795.db2.gz SZUAFLVEZHZUAG-GXFFZTMASA-N 1 0 241.281 2.215 10 0 BEAERO CCC[N@H+](C)CCC(=O)NCC1CCCCC1 ZINC000104823783 169074824 /nfs/dbraw/zinc/07/48/24/169074824.db2.gz LIILAKNBIFGYJS-UHFFFAOYSA-N 1 0 240.391 2.415 10 0 BEAERO O[C@@H](c1ccc2ncccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000001729515 183185975 /nfs/dbraw/zinc/18/59/75/183185975.db2.gz DPBVGSJQEMNMHL-GJZGRUSLSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@@H](c1cccc2cc[nH]c21)C1CC[NH2+]CC1 ZINC000089209213 183185998 /nfs/dbraw/zinc/18/59/98/183185998.db2.gz VRBCYGRZFFWAOX-CQSZACIVSA-N 1 0 230.311 2.201 10 0 BEAERO O[C@@H]1CCC2=C(C[C@@H]([NH+]3CCCC3)C2)C1 ZINC000169343104 183186439 /nfs/dbraw/zinc/18/64/39/183186439.db2.gz XCENWEGOKMTCKG-QWHCGFSZSA-N 1 0 207.317 2.086 10 0 BEAERO O[C@@H]1/C(=C/c2ccc(F)cc2)[NH+]2CCC1CC2 ZINC000012341635 183186489 /nfs/dbraw/zinc/18/64/89/183186489.db2.gz HSEHKBPZCDLUHZ-XXYUJHKVSA-N 1 0 233.286 2.253 10 0 BEAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CC1CCCC1 ZINC000037886812 183187304 /nfs/dbraw/zinc/18/73/04/183187304.db2.gz RNCOOCJHOBQTEL-QWHCGFSZSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(C(F)F)CC1 ZINC000336553670 183187903 /nfs/dbraw/zinc/18/79/03/183187903.db2.gz SDNKYCGQCJSBOV-WDEREUQCSA-N 1 0 233.302 2.267 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000002387053 183188070 /nfs/dbraw/zinc/18/80/70/183188070.db2.gz YJLQAIUYPBPBBG-ZIAGYGMSSA-N 1 0 219.328 2.327 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000052013724 183189203 /nfs/dbraw/zinc/18/92/03/183189203.db2.gz GGRWQDJZQHCGBG-NWDGAFQWSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000125645860 183189494 /nfs/dbraw/zinc/18/94/94/183189494.db2.gz IOCVGJKAJIXVFB-QWHCGFSZSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000037691247 183190033 /nfs/dbraw/zinc/19/00/33/183190033.db2.gz BXEXGTAVLPNZGX-VXGBXAGGSA-N 1 0 225.357 2.184 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000037489884 183195437 /nfs/dbraw/zinc/19/54/37/183195437.db2.gz OCNFYFDQOOMRCE-NWDGAFQWSA-N 1 0 225.719 2.343 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000089165492 183195581 /nfs/dbraw/zinc/19/55/81/183195581.db2.gz ZGFDPMCKXBVAGW-NOZJJQNGSA-N 1 0 241.281 2.215 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053156276 183195684 /nfs/dbraw/zinc/19/56/84/183195684.db2.gz UBRVCRMVURPOKE-NWDGAFQWSA-N 1 0 243.709 2.482 10 0 BEAERO O[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000037882857 183231968 /nfs/dbraw/zinc/23/19/68/183231968.db2.gz OKDIDOCYEGKMSY-RYUDHWBXSA-N 1 0 209.289 2.063 10 0 BEAERO O[C@H](Cc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000041282834 183227362 /nfs/dbraw/zinc/22/73/62/183227362.db2.gz WFYGTZWDSJMWPH-DGCLKSJQSA-N 1 0 239.746 2.243 10 0 BEAERO O[C@H](c1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000083264037 183228336 /nfs/dbraw/zinc/22/83/36/183228336.db2.gz QVQGKRURARYRDQ-WDEREUQCSA-N 1 0 229.682 2.265 10 0 BEAERO CCCN(C)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000020225827 169087726 /nfs/dbraw/zinc/08/77/26/169087726.db2.gz LAKNMAPIRXSXKS-CYBMUJFWSA-N 1 0 222.332 2.037 10 0 BEAERO O[C@H](c1ccc2ncccc2c1)[C@H]1CCCC[NH2+]1 ZINC000001729514 183229431 /nfs/dbraw/zinc/22/94/31/183229431.db2.gz DPBVGSJQEMNMHL-HUUCEWRRSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@H](c1ccc2c(c1)CCCC2)[C@H]1CCC[NH2+]1 ZINC000032016091 183229533 /nfs/dbraw/zinc/22/95/33/183229533.db2.gz NFYYJJXCCOCBRQ-HUUCEWRRSA-N 1 0 231.339 2.351 10 0 BEAERO O[C@H](c1cccc2cccnc21)[C@@H]1CCCC[NH2+]1 ZINC000001729566 183229658 /nfs/dbraw/zinc/22/96/58/183229658.db2.gz VZTOROZDQAOUBJ-DZGCQCFKSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@H](c1ccc2c(c1)CCCO2)[C@H]1CCC[NH2+]C1 ZINC000038058309 183229780 /nfs/dbraw/zinc/22/97/80/183229780.db2.gz SPJBERPXHNCTOW-DZGCQCFKSA-N 1 0 247.338 2.045 10 0 BEAERO CCCN(C)[C@H](C[NH3+])c1ccccc1OC ZINC000020225777 169088260 /nfs/dbraw/zinc/08/82/60/169088260.db2.gz INCSWTVDXOQLSH-GFCCVEGCSA-N 1 0 222.332 2.037 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCc2ccsc2C1 ZINC000132474226 183231644 /nfs/dbraw/zinc/23/16/44/183231644.db2.gz KPXVISRMERGSHH-RYUDHWBXSA-N 1 0 237.368 2.410 10 0 BEAERO CCC[N@H+](C1CC1)[C@@H]1Cc2ccccc2[C@@H]1N ZINC000037097252 169092055 /nfs/dbraw/zinc/09/20/55/169092055.db2.gz HQRFBNHKZYQCSF-CABCVRRESA-N 1 0 230.355 2.486 10 0 BEAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000042896225 183231791 /nfs/dbraw/zinc/23/17/91/183231791.db2.gz PATUPOYGAFZDGP-GJZGRUSLSA-N 1 0 249.354 2.349 10 0 BEAERO O[C@@]1(C2CC2)CC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336265399 183215854 /nfs/dbraw/zinc/21/58/54/183215854.db2.gz QNBCFNHSLDZGCJ-RYUDHWBXSA-N 1 0 245.313 2.269 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000037489881 183237872 /nfs/dbraw/zinc/23/78/72/183237872.db2.gz OCNFYFDQOOMRCE-NEPJUHHUSA-N 1 0 225.719 2.343 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000089151277 183237907 /nfs/dbraw/zinc/23/79/07/183237907.db2.gz DJDVCOUKOAVHQO-WFASDCNBSA-N 1 0 244.338 2.419 10 0 BEAERO CCCN(CC)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000055126282 169111767 /nfs/dbraw/zinc/11/17/67/169111767.db2.gz RHMRCYTURTYMRF-VXGBXAGGSA-N 1 0 226.364 2.153 10 0 BEAERO O[C@H]1C[C@H](C2CC[NH2+]CC2)c2ccccc21 ZINC000003621232 183248157 /nfs/dbraw/zinc/24/81/57/183248157.db2.gz LILLUMTXZGEICG-KGLIPLIRSA-N 1 0 217.312 2.207 10 0 BEAERO O=C1C(c2ccccc2)Oc2cccc[n+]21 ZINC000029401822 183253182 /nfs/dbraw/zinc/25/31/82/183253182.db2.gz QVCIXCWFJLTEQL-UHFFFAOYSA-O 1 0 212.228 2.391 10 0 BEAERO O[C@]1(c2ccccc2C(F)(F)F)CCC[NH2+]C1 ZINC000104108254 183253495 /nfs/dbraw/zinc/25/34/95/183253495.db2.gz PKBWQGIRBOKSQV-LLVKDONJSA-N 1 0 245.244 2.276 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000308956330 183232464 /nfs/dbraw/zinc/23/24/64/183232464.db2.gz XMTRBODXJNBUHH-NEPJUHHUSA-N 1 0 209.333 2.212 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368568047 169103883 /nfs/dbraw/zinc/10/38/83/169103883.db2.gz OWHZAMSISJRSIH-CHWSQXEVSA-N 1 0 240.391 2.269 10 0 BEAERO O[C@H]1CCC[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000053882197 183237042 /nfs/dbraw/zinc/23/70/42/183237042.db2.gz DLPLGUWGIGSFGZ-GJZGRUSLSA-N 1 0 231.339 2.206 10 0 BEAERO CCCN(CC(F)(F)F)c1ncccc1C[NH3+] ZINC000042736298 169107505 /nfs/dbraw/zinc/10/75/05/169107505.db2.gz YNCPAFLKLNRKBB-UHFFFAOYSA-N 1 0 247.264 2.319 10 0 BEAERO CC[C@@H](C)[NH+]1CCC(c2nncn2CC)CC1 ZINC000193000967 259593416 /nfs/dbraw/zinc/59/34/16/259593416.db2.gz RPXJAUWAPNHVTG-LLVKDONJSA-N 1 0 236.363 2.276 10 0 BEAERO Oc1ccc2[nH]c([C@H]3CCCC[NH2+]3)nc2c1 ZINC000076006752 183279077 /nfs/dbraw/zinc/27/90/77/183279077.db2.gz GYEOYAYBTYVAAD-SNVBAGLBSA-N 1 0 217.272 2.083 10 0 BEAERO O=c1cc(C(F)(F)F)nc([C@H]2CCCC[NH2+]2)[nH]1 ZINC000071396345 183257301 /nfs/dbraw/zinc/25/73/01/183257301.db2.gz ALAKRTUESKWHDP-ZCFIWIBFSA-N 1 0 247.220 2.016 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055124809 169144357 /nfs/dbraw/zinc/14/43/57/169144357.db2.gz KLXYBAVLFRGXFG-RWMBFGLXSA-N 1 0 240.391 2.399 10 0 BEAERO CCC[N@H+](CCCOC)C[C@H]1CCCCO1 ZINC000106866837 169156007 /nfs/dbraw/zinc/15/60/07/169156007.db2.gz HCZBYGKDPQMPOA-CYBMUJFWSA-N 1 0 229.364 2.304 10 0 BEAERO CCCN(CC[NH3+])Cc1ccccc1C ZINC000032011642 169157890 /nfs/dbraw/zinc/15/78/90/169157890.db2.gz NXDVNYAZWZOLTI-UHFFFAOYSA-N 1 0 206.333 2.166 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]C1CCC(O)CC1 ZINC000036852043 183295918 /nfs/dbraw/zinc/29/59/18/183295918.db2.gz SOUJDYOIFVTJMY-MGULZYLOSA-N 1 0 247.338 2.273 10 0 BEAERO CCC[N@H+](CCO)C[C@H]1C[C@H](CC)CCC1=O ZINC000053929139 169165554 /nfs/dbraw/zinc/16/55/54/169165554.db2.gz QHZMSMCCJDBOBH-CHWSQXEVSA-N 1 0 241.375 2.086 10 0 BEAERO CCC[N@H+](CCO)C[C@@H]1C[C@H](CC)CCC1=O ZINC000053929138 169165559 /nfs/dbraw/zinc/16/55/59/169165559.db2.gz QHZMSMCCJDBOBH-OLZOCXBDSA-N 1 0 241.375 2.086 10 0 BEAERO CCC[NH+]1CCC(Nc2c(C)n[nH]c2C)CC1 ZINC000036736169 169190196 /nfs/dbraw/zinc/19/01/96/169190196.db2.gz QEULPYCEDKEEGM-UHFFFAOYSA-N 1 0 236.363 2.313 10 0 BEAERO CCC[N@@H+]1CCC=C(c2cnc(N)s2)C1 ZINC000026938195 169190898 /nfs/dbraw/zinc/19/08/98/169190898.db2.gz QLUDFKATEBUGML-UHFFFAOYSA-N 1 0 223.345 2.224 10 0 BEAERO c1c[nH]c(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000048408640 183326012 /nfs/dbraw/zinc/32/60/12/183326012.db2.gz SDPIABBWWRIIGB-UHFFFAOYSA-N 1 0 230.267 2.033 10 0 BEAERO CCCN(Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000104330831 169179662 /nfs/dbraw/zinc/17/96/62/169179662.db2.gz AZELADFPCZKUAI-CQSZACIVSA-N 1 0 233.359 2.046 10 0 BEAERO c1cc(C2C[NH+](C3CCCCC3)C2)n[nH]1 ZINC000072381188 183336839 /nfs/dbraw/zinc/33/68/39/183336839.db2.gz BDVUDRSFAWRZJO-UHFFFAOYSA-N 1 0 205.305 2.142 10 0 BEAERO CCCNC(=O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000036840638 169226598 /nfs/dbraw/zinc/22/65/98/169226598.db2.gz QKUXUHSFHULMPU-UHFFFAOYSA-N 1 0 246.354 2.048 10 0 BEAERO c1cc(C[NH2+]C2CC2)cc(N2C[C@H]3CC[C@@H]2C3)n1 ZINC000051489070 183347828 /nfs/dbraw/zinc/34/78/28/183347828.db2.gz XSJCRCUMVHHEEK-GXTWGEPZSA-N 1 0 243.354 2.322 10 0 BEAERO CCCN1CCc2nc([C@@H]([NH3+])CC)sc2C1 ZINC000041059231 169208979 /nfs/dbraw/zinc/20/89/79/169208979.db2.gz PZRXRJIIIICFPN-VIFPVBQESA-N 1 0 239.388 2.321 10 0 BEAERO CCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000062570986 169209786 /nfs/dbraw/zinc/20/97/86/169209786.db2.gz PLTWXKQMRDVYQE-CHWSQXEVSA-N 1 0 212.381 2.351 10 0 BEAERO CCC[N@@H+]1C[C@@H](C)NC[C@@H]1c1ccccc1 ZINC000062608940 169210617 /nfs/dbraw/zinc/21/06/17/169210617.db2.gz JDFQRLPDBGNZJZ-TZMCWYRMSA-N 1 0 218.344 2.431 10 0 BEAERO CCCN1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000051860069 169211338 /nfs/dbraw/zinc/21/13/38/169211338.db2.gz WIBSCYUYTAVTLY-CQSZACIVSA-N 1 0 218.344 2.043 10 0 BEAERO CCCNC(=[NH2+])N[C@H]1CCc2ccccc2C1 ZINC000052042395 169212377 /nfs/dbraw/zinc/21/23/77/169212377.db2.gz DDACJFPRHRLHQF-ZDUSSCGKSA-N 1 0 231.343 2.068 10 0 BEAERO c1cc(COCCC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000095092579 183355560 /nfs/dbraw/zinc/35/55/60/183355560.db2.gz PAKMPWHBJOXXTI-ZDUSSCGKSA-N 1 0 234.343 2.378 10 0 BEAERO c1cc2c(c(C3CC[NH2+]CC3)c1)OCC2 ZINC000082925808 183365204 /nfs/dbraw/zinc/36/52/04/183365204.db2.gz BVHAVSKXSRZKAF-UHFFFAOYSA-N 1 0 203.285 2.089 10 0 BEAERO CCC[NH2+]C1CCN([C@@H](C)[C@@H]2CCCO2)CC1 ZINC000035735963 169256065 /nfs/dbraw/zinc/25/60/65/169256065.db2.gz GPQKCPPKVJHLAN-JSGCOSHPSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[NH2+]CCCCn1nnc2ccccc21 ZINC000052576556 169256352 /nfs/dbraw/zinc/25/63/52/169256352.db2.gz IRTPSJJGTKSOMJ-UHFFFAOYSA-N 1 0 232.331 2.211 10 0 BEAERO c1cc2c(c([C@H]3CCC[NH2+]3)c1)OCCC2 ZINC000072201832 183366981 /nfs/dbraw/zinc/36/69/81/183366981.db2.gz AMNGNMRNQSMYIC-GFCCVEGCSA-N 1 0 203.285 2.436 10 0 BEAERO CCC[NH2+]CCOc1cccc(N(C)C)c1 ZINC000040714943 169260400 /nfs/dbraw/zinc/26/04/00/169260400.db2.gz NZGQGKRSZMQRDB-UHFFFAOYSA-N 1 0 222.332 2.131 10 0 BEAERO CCC[NH2+]CCOc1ccc(OCC)cc1 ZINC000020361252 169260557 /nfs/dbraw/zinc/26/05/57/169260557.db2.gz RGYPKHGEORDDOO-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO CCC[NH2+]CCOc1ccc(F)c(F)c1 ZINC000036750141 169260582 /nfs/dbraw/zinc/26/05/82/169260582.db2.gz JCLUZLHKJKAOHI-UHFFFAOYSA-N 1 0 215.243 2.343 10 0 BEAERO CCC[NH2+]CCc1ccc(N(C)C)cc1 ZINC000071443890 169261001 /nfs/dbraw/zinc/26/10/01/169261001.db2.gz SJGKEEZKQZEHPE-UHFFFAOYSA-N 1 0 206.333 2.295 10 0 BEAERO CCC[NH2+]C[C@@H](C)N1CCOc2ccccc2C1 ZINC000063013698 169261189 /nfs/dbraw/zinc/26/11/89/169261189.db2.gz KYFAEMSETICLKO-CYBMUJFWSA-N 1 0 248.370 2.269 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCCN1CCOC(C)C ZINC000053651334 169261998 /nfs/dbraw/zinc/26/19/98/169261998.db2.gz QSRYAYZKLPKYDE-AWEZNQCLSA-N 1 0 242.407 2.266 10 0 BEAERO CCC[NH2+]C[C@@H]1CCN(Cc2ccc(C)o2)C1 ZINC000053038800 169262112 /nfs/dbraw/zinc/26/21/12/169262112.db2.gz SWFMYKOFAFGCPW-ZDUSSCGKSA-N 1 0 236.359 2.410 10 0 BEAERO CCC[NH2+]C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000033466180 169262268 /nfs/dbraw/zinc/26/22/68/169262268.db2.gz GBXZYEZCMTXIAI-CYBMUJFWSA-N 1 0 237.343 2.043 10 0 BEAERO CCCNC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000020256731 169240115 /nfs/dbraw/zinc/24/01/15/169240115.db2.gz IJSUZXADLMORLY-VIFPVBQESA-N 1 0 221.304 2.238 10 0 BEAERO c1cc2ncc([C@@H]3CCC[NH2+]C3)cc2[nH]1 ZINC000089221045 183376963 /nfs/dbraw/zinc/37/69/63/183376963.db2.gz BFRSEROYGCNTGC-SECBINFHSA-N 1 0 201.273 2.030 10 0 BEAERO c1ccc(-c2ccc(C3=[NH+]CCN3)cn2)cc1 ZINC000035033808 183379506 /nfs/dbraw/zinc/37/95/06/183379506.db2.gz LBNBZBDFWZOJRY-UHFFFAOYSA-N 1 0 223.279 2.098 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1cc(Cl)ccc1OC ZINC000049831573 169262663 /nfs/dbraw/zinc/26/26/63/169262663.db2.gz ZSLFXGFZEOXVKX-LLVKDONJSA-N 1 0 243.734 2.382 10 0 BEAERO c1ccc(-c2cccc3c2CC[NH2+]C3)nc1 ZINC000072172664 183381322 /nfs/dbraw/zinc/38/13/22/183381322.db2.gz XCVLBBRCPVEVJG-UHFFFAOYSA-N 1 0 210.280 2.394 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc(C)cc1C ZINC000049814012 169262809 /nfs/dbraw/zinc/26/28/09/169262809.db2.gz YZVOJYVMJQCWKI-CYBMUJFWSA-N 1 0 207.317 2.336 10 0 BEAERO CCC[NH2+][C@@]1(C(N)=O)C[C@@H](C)CC(C)(C)C1 ZINC000037870080 169284194 /nfs/dbraw/zinc/28/41/94/169284194.db2.gz PYBHMVOUYBJXLG-GWCFXTLKSA-N 1 0 226.364 2.056 10 0 BEAERO CCC[NH2+][C@H](C)[C@@H](C)N(C)C[C@@H]1CCCOC1 ZINC000104198526 169286059 /nfs/dbraw/zinc/28/60/59/169286059.db2.gz PSFWFCHPLKBDBW-MCIONIFRSA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1CCOCC ZINC000111712150 169286457 /nfs/dbraw/zinc/28/64/57/169286457.db2.gz IUXINOUYLROXQS-KGLIPLIRSA-N 1 0 242.407 2.266 10 0 BEAERO CCC[NH2+][C@H](C)c1ccc(-n2cnnc2)cc1 ZINC000055170207 169286913 /nfs/dbraw/zinc/28/69/13/169286913.db2.gz OOGSRSRRKZAOIV-LLVKDONJSA-N 1 0 230.315 2.328 10 0 BEAERO CCC[NH2+][C@H](CN)c1ccc(OC(F)F)cc1 ZINC000050270451 169288792 /nfs/dbraw/zinc/28/87/92/169288792.db2.gz XZJGSBSLZVUIQL-LLVKDONJSA-N 1 0 244.285 2.287 10 0 BEAERO CCC[NH2+][C@H](Cc1ccncc1)[C@H]1CCOC1 ZINC000104105440 169289550 /nfs/dbraw/zinc/28/95/50/169289550.db2.gz AMKWOZWQWINNHM-UONOGXRCSA-N 1 0 234.343 2.029 10 0 BEAERO CCC[NH2+][C@H](Cc1ccncc1)[C@@H]1CCOC1 ZINC000104105433 169290154 /nfs/dbraw/zinc/29/01/54/169290154.db2.gz AMKWOZWQWINNHM-ZIAGYGMSSA-N 1 0 234.343 2.029 10 0 BEAERO CCC[NH2+]C[C@H](CC)N1CCC(OCC)CC1 ZINC000052483952 169263366 /nfs/dbraw/zinc/26/33/66/169263366.db2.gz QHNJHYGWWAGBSP-ZDUSSCGKSA-N 1 0 242.407 2.266 10 0 BEAERO CCC[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000033466179 169263437 /nfs/dbraw/zinc/26/34/37/169263437.db2.gz WZQUJZCMXUZMMW-ZDUSSCGKSA-N 1 0 237.343 2.043 10 0 BEAERO CCC[NH2+]C[C@H](C)N(CCOC)[C@@H](C)C1CC1 ZINC000052545280 169263804 /nfs/dbraw/zinc/26/38/04/169263804.db2.gz IQSYXARSXCZJCU-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc(F)c(C)c1 ZINC000049814982 169264505 /nfs/dbraw/zinc/26/45/05/169264505.db2.gz QGWSKBWPYTVMOL-LBPRGKRZSA-N 1 0 211.280 2.167 10 0 BEAERO CCC[NH2+]C[C@H]1CCCN1Cc1ccncc1 ZINC000053648630 169264618 /nfs/dbraw/zinc/26/46/18/169264618.db2.gz ICTCFNADBKEMLV-CQSZACIVSA-N 1 0 233.359 2.046 10 0 BEAERO c1nc(CC[NH2+]CCCc2ccccc2)c[nH]1 ZINC000034062653 183391603 /nfs/dbraw/zinc/39/16/03/183391603.db2.gz UVSBNWZCSOFKHO-UHFFFAOYSA-N 1 0 229.327 2.175 10 0 BEAERO c1ccc(CCCNC2=[NH+]CCS2)cc1 ZINC000037719702 183391910 /nfs/dbraw/zinc/39/19/10/183391910.db2.gz AIJQSZXGMAXYRQ-UHFFFAOYSA-N 1 0 220.341 2.312 10 0 BEAERO CCC[NH2+]Cc1c(C)nn(CCCOC)c1C ZINC000037754231 169265198 /nfs/dbraw/zinc/26/51/98/169265198.db2.gz MEOAKUWPDAHBFO-UHFFFAOYSA-N 1 0 239.363 2.036 10 0 BEAERO c1ccc(CCN2CC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000040671118 183392988 /nfs/dbraw/zinc/39/29/88/183392988.db2.gz FPEHZMHCXHIALS-INIZCTEOSA-N 1 0 244.382 2.303 10 0 BEAERO c1ccc(CCN2CC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000040671120 183393017 /nfs/dbraw/zinc/39/30/17/183393017.db2.gz FPEHZMHCXHIALS-MRXNPFEDSA-N 1 0 244.382 2.303 10 0 BEAERO CCC[NH2+]Cc1cccc(Br)n1 ZINC000083356458 169267796 /nfs/dbraw/zinc/26/77/96/169267796.db2.gz FPVLMWDMJBQLNQ-UHFFFAOYSA-N 1 0 229.121 2.344 10 0 BEAERO CCC[NH2+]Cc1ccnc(-n2ccc(C)n2)c1 ZINC000052885133 169268271 /nfs/dbraw/zinc/26/82/71/169268271.db2.gz NSPGMYZKEWAJDK-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO CCC[NH2+]Cc1cnc(-c2cccc(C)n2)nc1 ZINC000104160886 169268826 /nfs/dbraw/zinc/26/88/26/169268826.db2.gz OXBFNZAYBCKJBG-UHFFFAOYSA-N 1 0 242.326 2.347 10 0 BEAERO CCC[NH2+]Cc1nc(C)c(C)n1CCC ZINC000045205798 169269024 /nfs/dbraw/zinc/26/90/24/169269024.db2.gz USTBGZKVEWCWHB-UHFFFAOYSA-N 1 0 209.337 2.410 10 0 BEAERO CCC[NH2+]Cc1sc(C)nc1COC ZINC000082441251 169269731 /nfs/dbraw/zinc/26/97/31/169269731.db2.gz GBNSAEKLYFBBES-UHFFFAOYSA-N 1 0 214.334 2.098 10 0 BEAERO CCC[NH2+][C@@H]1c2ccc(OC(C)C)cc2NC1=O ZINC000103926461 169290436 /nfs/dbraw/zinc/29/04/36/169290436.db2.gz FFUXZFKTGIYOTR-CYBMUJFWSA-N 1 0 248.326 2.467 10 0 BEAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037870249 169273054 /nfs/dbraw/zinc/27/30/54/169273054.db2.gz FEZGMXZKBYQIHZ-CYBMUJFWSA-N 1 0 234.343 2.336 10 0 BEAERO CCC[NH2+][C@@H](C)CN1CCc2ccccc2C1 ZINC000043814911 169274810 /nfs/dbraw/zinc/27/48/10/169274810.db2.gz KWKJUYSOSSASRD-ZDUSSCGKSA-N 1 0 232.371 2.433 10 0 BEAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1-n1cncn1 ZINC000034665251 169275562 /nfs/dbraw/zinc/27/55/62/169275562.db2.gz HPFNDWLKIQEJEO-JTQLQIEISA-N 1 0 248.305 2.467 10 0 BEAERO CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1 ZINC000005647854 169276056 /nfs/dbraw/zinc/27/60/56/169276056.db2.gz RXBKKPJEJZBXOF-GWCFXTLKSA-N 1 0 221.300 2.215 10 0 BEAERO CCC[NH2+][C@@H](CC(=O)OC)Cc1ccccc1 ZINC000074478701 169276581 /nfs/dbraw/zinc/27/65/81/169276581.db2.gz KJJWJZLUBVOGAG-CYBMUJFWSA-N 1 0 235.327 2.160 10 0 BEAERO CCC[NH2+][C@@H](C)c1csc(CCOC)n1 ZINC000070841779 169277305 /nfs/dbraw/zinc/27/73/05/169277305.db2.gz PCXSHPQLXXKFGO-VIFPVBQESA-N 1 0 228.361 2.393 10 0 BEAERO CCC[NH2+][C@H]1c2ccc(SC)cc2NC1=O ZINC000103388106 169280881 /nfs/dbraw/zinc/28/08/81/169280881.db2.gz BZSAHRKXXAWGAQ-NSHDSACASA-N 1 0 236.340 2.401 10 0 BEAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1cnn(C)c1 ZINC000060716632 169281948 /nfs/dbraw/zinc/28/19/48/169281948.db2.gz MXJIKYDFURPWQY-VXGBXAGGSA-N 1 0 207.321 2.056 10 0 BEAERO CCC[NH2+][C@@H]1CCN(CC2(C)CCCC2)C1=O ZINC000070976865 169282515 /nfs/dbraw/zinc/28/25/15/169282515.db2.gz WQRPNEJHZLOEFB-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1=O ZINC000049647585 169282958 /nfs/dbraw/zinc/28/29/58/169282958.db2.gz HABCACJIOVGOIP-GXTWGEPZSA-N 1 0 246.354 2.348 10 0 BEAERO CCC[NH2+][C@@H]1CCc2ccc(O)cc2C1 ZINC000013759808 169283237 /nfs/dbraw/zinc/28/32/37/169283237.db2.gz NBGJODUAUISAEF-GFCCVEGCSA-N 1 0 205.301 2.249 10 0 BEAERO CCCOC[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000037025107 169310251 /nfs/dbraw/zinc/31/02/51/169310251.db2.gz DISKRYBVYAHHHD-GFCCVEGCSA-N 1 0 239.315 2.130 10 0 BEAERO CCCO[C@@H]1CCCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000042425476 169312494 /nfs/dbraw/zinc/31/24/94/169312494.db2.gz QNLDLBJGPCNSEF-ZIAGYGMSSA-N 1 0 242.407 2.251 10 0 BEAERO CCCO[C@H]1CCCN([C@@](C)(C[NH3+])CCC)C1 ZINC000042421355 169313025 /nfs/dbraw/zinc/31/30/25/169313025.db2.gz JIRSZZXUMLJSAT-UONOGXRCSA-N 1 0 242.407 2.395 10 0 BEAERO CCCOc1cc2c(cc1C[NH2+]CC)OCO2 ZINC000042874449 169315649 /nfs/dbraw/zinc/31/56/49/169315649.db2.gz CLICUUJLJVYENU-UHFFFAOYSA-N 1 0 237.299 2.314 10 0 BEAERO CCCOc1cc2c(cc1C[C@H](C)[NH3+])OCO2 ZINC000042878045 169315717 /nfs/dbraw/zinc/31/57/17/169315717.db2.gz LDGBLWNYCYUDPR-VIFPVBQESA-N 1 0 237.299 2.094 10 0 BEAERO c1ccc([C@H]2C[C@@H]2C[NH2+]Cc2cncnc2)cc1 ZINC000111398089 183432928 /nfs/dbraw/zinc/43/29/28/183432928.db2.gz ZSZVMZQTAYZGRI-HUUCEWRRSA-N 1 0 239.322 2.370 10 0 BEAERO CCC[NH2+][C@H]1CCC[C@@H]1c1cnn(C)c1 ZINC000060716633 169291466 /nfs/dbraw/zinc/29/14/66/169291466.db2.gz MXJIKYDFURPWQY-NEPJUHHUSA-N 1 0 207.321 2.056 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049647880 169291679 /nfs/dbraw/zinc/29/16/79/169291679.db2.gz VKLWRWWAUWSXFV-AWEZNQCLSA-N 1 0 246.354 2.408 10 0 BEAERO CCCOc1ccc(C(=O)CC[NH2+]C)cc1 ZINC000071523169 169316949 /nfs/dbraw/zinc/31/69/49/169316949.db2.gz VPDHMTNSULCJJB-UHFFFAOYSA-N 1 0 221.300 2.268 10 0 BEAERO CCC[NH2+][C@]1(C(N)=O)C[C@@H](C)CC(C)(C)C1 ZINC000037870079 169294095 /nfs/dbraw/zinc/29/40/95/169294095.db2.gz PYBHMVOUYBJXLG-GXFFZTMASA-N 1 0 226.364 2.056 10 0 BEAERO c1cc([C@@H]2CCC[NH2+]C2)n(Cc2ccccc2)n1 ZINC000075869866 183413740 /nfs/dbraw/zinc/41/37/40/183413740.db2.gz QMPVOCAFCFWLMI-CQSZACIVSA-N 1 0 241.338 2.398 10 0 BEAERO CCCOc1ccc(CC[NH3+])cc1OCC ZINC000011805757 169318597 /nfs/dbraw/zinc/31/85/97/169318597.db2.gz ITJTWPIGZVXSQD-UHFFFAOYSA-N 1 0 223.316 2.375 10 0 BEAERO c1ccc2cc(CN3C[C@H]4C[C@@H]3C[NH2+]4)ccc2c1 ZINC000019796125 183457769 /nfs/dbraw/zinc/45/77/69/183457769.db2.gz MUILKDXYEHGAER-HZPDHXFCSA-N 1 0 238.334 2.386 10 0 BEAERO c1ccc2nc(C[NH2+]C[C@H]3CCOC3)ccc2c1 ZINC000038094166 183458370 /nfs/dbraw/zinc/45/83/70/183458370.db2.gz QQHXJNHMYDYCDV-GFCCVEGCSA-N 1 0 242.322 2.361 10 0 BEAERO CCCOc1ccc([C@@](C)(O)C[NH2+]C2CC2)cc1 ZINC000032104713 169321263 /nfs/dbraw/zinc/32/12/63/169321263.db2.gz WBFARBNBKTXZMQ-HNNXBMFYSA-N 1 0 249.354 2.435 10 0 BEAERO CCCOc1ccc([C@@H]([C@H](C)[NH3+])N(C)C)cc1 ZINC000071547425 169321881 /nfs/dbraw/zinc/32/18/81/169321881.db2.gz XJAFDMNGPANFNY-SMDDNHRTSA-N 1 0 236.359 2.425 10 0 BEAERO CCCOc1ccc([C@]2(C)C[C@H]2[NH3+])cc1 ZINC000052126230 169322540 /nfs/dbraw/zinc/32/25/40/169322540.db2.gz ZYMRICHKYPTTAX-OLZOCXBDSA-N 1 0 205.301 2.464 10 0 BEAERO CCCOc1cccc([C@@H](C[NH3+])N(C)CC)c1 ZINC000020226612 169325843 /nfs/dbraw/zinc/32/58/43/169325843.db2.gz MKCQDGKYOIHKGI-CQSZACIVSA-N 1 0 236.359 2.427 10 0 BEAERO CCCOc1cccc([C@H](C[NH3+])N(C)CC)c1 ZINC000020226613 169326064 /nfs/dbraw/zinc/32/60/64/169326064.db2.gz MKCQDGKYOIHKGI-AWEZNQCLSA-N 1 0 236.359 2.427 10 0 BEAERO CCCOc1ccccc1CNCCC[NH2+]C ZINC000020967285 169326567 /nfs/dbraw/zinc/32/65/67/169326567.db2.gz AQSMYDZDRNCHJG-UHFFFAOYSA-N 1 0 236.359 2.175 10 0 BEAERO CCCOc1cccc2c1O[C@H](C)[C@@H]2[NH3+] ZINC000043635041 169326596 /nfs/dbraw/zinc/32/65/96/169326596.db2.gz VLOVKLORUIHLOS-KCJUWKMLSA-N 1 0 207.273 2.256 10 0 BEAERO CCCOc1ccccc1C[NH2+][C@H](CC)CO ZINC000020924391 169327025 /nfs/dbraw/zinc/32/70/25/169327025.db2.gz CLIGPYGGHLXFOY-CYBMUJFWSA-N 1 0 237.343 2.336 10 0 BEAERO CCC[C@@H](C(=O)NCCC1=CCCC1)[NH+](C)C ZINC000121418910 169344419 /nfs/dbraw/zinc/34/44/19/169344419.db2.gz HDTLAUTYZPBKCL-ZDUSSCGKSA-N 1 0 238.375 2.333 10 0 BEAERO CCCOc1ccccc1OCCC[NH3+] ZINC000019272747 169327549 /nfs/dbraw/zinc/32/75/49/169327549.db2.gz KNZURLLGJIRBIH-UHFFFAOYSA-N 1 0 209.289 2.203 10 0 BEAERO CCCOc1ccccc1[C@@H](O)CC[NH+](C)C ZINC000041629399 169327579 /nfs/dbraw/zinc/32/75/79/169327579.db2.gz JJLMIKCRESNBSK-ZDUSSCGKSA-N 1 0 237.343 2.461 10 0 BEAERO CCCOc1ccccc1OC[C@@H]1CC[NH2+]C1 ZINC000051890569 169327744 /nfs/dbraw/zinc/32/77/44/169327744.db2.gz FEXXIWVCQLAIDQ-GFCCVEGCSA-N 1 0 235.327 2.464 10 0 BEAERO CCCOc1ccccc1[C@@](C)(O)C[NH2+]C1CC1 ZINC000032104716 169327982 /nfs/dbraw/zinc/32/79/82/169327982.db2.gz QXCAMKYAKCJNKY-HNNXBMFYSA-N 1 0 249.354 2.435 10 0 BEAERO c1ccc2c(c1)CO[C@@]21CCC[NH2+]CC1 ZINC000091301879 183449324 /nfs/dbraw/zinc/44/93/24/183449324.db2.gz DAFFTQRPZBSBKG-CYBMUJFWSA-N 1 0 203.285 2.186 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCC(=O)N[C@H](C)CC ZINC000038013863 169358891 /nfs/dbraw/zinc/35/88/91/169358891.db2.gz QBMDBGKCAKMOJF-VXGBXAGGSA-N 1 0 228.380 2.317 10 0 BEAERO CCC[C@@H](C)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152054 169359383 /nfs/dbraw/zinc/35/93/83/169359383.db2.gz ONQUEAYYUDJTCW-VOMCLLRMSA-N 1 0 226.364 2.056 10 0 BEAERO CCC[C@@H](C)C[NH2+]Cc1cnn(CC)c1 ZINC000133241885 169359990 /nfs/dbraw/zinc/35/99/90/169359990.db2.gz MAVBRAIPOZDVSF-LLVKDONJSA-N 1 0 209.337 2.429 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044685387 169360881 /nfs/dbraw/zinc/36/08/81/169360881.db2.gz VJPJBAWQXWHFKB-NEPJUHHUSA-N 1 0 210.365 2.249 10 0 BEAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020252151 169372755 /nfs/dbraw/zinc/37/27/55/169372755.db2.gz YXKUAQLYKZVTSN-PRHODGIISA-N 1 0 233.315 2.292 10 0 BEAERO c1cnn(-c2ccc(NC3CC[NH2+]CC3)cc2)c1 ZINC000038041032 183498735 /nfs/dbraw/zinc/49/87/35/183498735.db2.gz DWYHBHOWCDVPGP-UHFFFAOYSA-N 1 0 242.326 2.036 10 0 BEAERO CCC[C@@H](C[NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000061820263 169382936 /nfs/dbraw/zinc/38/29/36/169382936.db2.gz QHFLMNHPRYLIOI-NSHDSACASA-N 1 0 226.364 2.010 10 0 BEAERO CCC[C@@H](CCc1cnn(C)c1)[NH2+]CC ZINC000050540604 169383193 /nfs/dbraw/zinc/38/31/93/169383193.db2.gz YVTSPMUTFMCIRO-LBPRGKRZSA-N 1 0 209.337 2.131 10 0 BEAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccccc1 ZINC000076610191 169383539 /nfs/dbraw/zinc/38/35/39/169383539.db2.gz IGWPPOMLNMEDAU-LLVKDONJSA-N 1 0 220.316 2.390 10 0 BEAERO CCC[C@@H](CN1CCOc2ccccc2C1)[NH2+]C ZINC000063012622 169383640 /nfs/dbraw/zinc/38/36/40/169383640.db2.gz YOBWHBRQQLQNBO-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO CCC[C@@H]([NH3+])CN1CCc2ccccc21 ZINC000036873567 169392790 /nfs/dbraw/zinc/39/27/90/169392790.db2.gz RXJYVKRJYKPPLR-GFCCVEGCSA-N 1 0 204.317 2.177 10 0 BEAERO CCC[C@@H]([NH3+])c1noc(-c2scnc2C)n1 ZINC000041052570 169394544 /nfs/dbraw/zinc/39/45/44/169394544.db2.gz LYAFTDKTRVDCJS-SSDOTTSWSA-N 1 0 238.316 2.301 10 0 BEAERO CCC[C@@H]([NH3+])c1cnc2cccc(C)n21 ZINC000031911328 169393822 /nfs/dbraw/zinc/39/38/22/169393822.db2.gz LYSSSLIWPACKKS-SNVBAGLBSA-N 1 0 203.289 2.443 10 0 BEAERO CCC[C@@H]([NH3+])c1nc2c(s1)COCC2 ZINC000041059341 169394051 /nfs/dbraw/zinc/39/40/51/169394051.db2.gz HRXOCWNQAWKYAZ-SSDOTTSWSA-N 1 0 212.318 2.016 10 0 BEAERO CCC[C@@H]([NH2+]C)c1ccc2c(c1)CC(=O)N2 ZINC000035495624 169399919 /nfs/dbraw/zinc/39/99/19/169399919.db2.gz MLFWHDSRINCRLF-LLVKDONJSA-N 1 0 218.300 2.242 10 0 BEAERO c1nc2cc([C@H]3CC[NH2+]C3)ccc2s1 ZINC000082593209 183539125 /nfs/dbraw/zinc/53/91/25/183539125.db2.gz RXQPXJLTURHOAB-VIFPVBQESA-N 1 0 204.298 2.373 10 0 BEAERO c1ncc(CSC[C@@H]2CCC[NH2+]C2)s1 ZINC000095092766 183547380 /nfs/dbraw/zinc/54/73/80/183547380.db2.gz QNMAJVOLZPPITQ-SECBINFHSA-N 1 0 228.386 2.376 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(C)nc1 ZINC000309186506 169442416 /nfs/dbraw/zinc/44/24/16/169442416.db2.gz OYEPDPUPELZYEN-VXGBXAGGSA-N 1 0 205.305 2.063 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289746541 169442501 /nfs/dbraw/zinc/44/25/01/169442501.db2.gz PRBVRDURQWBZDJ-IQJOONFLSA-N 1 0 240.372 2.475 10 0 BEAERO CCC[C@@H]1[NH2+]Cc2sc(N)nc2[C@H]1C ZINC000039109078 169444277 /nfs/dbraw/zinc/44/42/77/169444277.db2.gz ANZGPGIGZNKFSM-BQBZGAKWSA-N 1 0 211.334 2.101 10 0 BEAERO CCC[C@@](C)(CO)C[N@@H+]1CCCC[C@@H]1CCO ZINC000051292394 169447852 /nfs/dbraw/zinc/44/78/52/169447852.db2.gz IECPCTGKWBBKFU-ZIAGYGMSSA-N 1 0 243.391 2.022 10 0 BEAERO CCC[C@@]1(C(=O)N2CCCCC2)CCC[NH2+]C1 ZINC000062852714 169460281 /nfs/dbraw/zinc/46/02/81/169460281.db2.gz QWTCXFJQUYKQCT-CQSZACIVSA-N 1 0 238.375 2.169 10 0 BEAERO CCC[C@H](C(=O)NC[C@H]1CC=CCC1)[NH+](C)C ZINC000120644482 169467131 /nfs/dbraw/zinc/46/71/31/169467131.db2.gz LGBMFVNTXRWWHD-QWHCGFSZSA-N 1 0 238.375 2.189 10 0 BEAERO CCC[C@H](C[NH3+])CC(=O)NC1CCCCC1 ZINC000076612301 169498782 /nfs/dbraw/zinc/49/87/82/169498782.db2.gz DBTHPXGIRFTUSF-NSHDSACASA-N 1 0 226.364 2.200 10 0 BEAERO CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336739342 169519487 /nfs/dbraw/zinc/51/94/87/169519487.db2.gz SLVTYVKJQUQUFL-SRVKXCTJSA-N 1 0 217.328 2.265 10 0 BEAERO CC(C)(C)OC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000091675846 166663119 /nfs/dbraw/zinc/66/31/19/166663119.db2.gz DLCSVBGZTSVSGT-MFKMUULPSA-N 1 0 240.347 2.043 10 0 BEAERO CCCc1cc(N2CC[C@@H]([NH3+])C2)nc(C(C)C)n1 ZINC000045954599 169566389 /nfs/dbraw/zinc/56/63/89/169566389.db2.gz QNAKMBCHHLPNOS-LLVKDONJSA-N 1 0 248.374 2.090 10 0 BEAERO CCN(CC[NH3+])c1ccc(NC(=O)C(C)C)cc1 ZINC000020224778 169839207 /nfs/dbraw/zinc/83/92/07/169839207.db2.gz LBEBOOYDCDQXEG-UHFFFAOYSA-N 1 0 249.358 2.066 10 0 BEAERO CC(C)(C)OCc1cccc(C(N)=[NH2+])c1F ZINC000075915165 166684142 /nfs/dbraw/zinc/68/41/42/166684142.db2.gz SZPIWCFOGVLACB-UHFFFAOYSA-N 1 0 224.279 2.425 10 0 BEAERO CCCc1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000036915725 169599977 /nfs/dbraw/zinc/59/99/77/169599977.db2.gz UHGSHGWXXPZCKQ-UHFFFAOYSA-N 1 0 217.272 2.148 10 0 BEAERO CC[N@H+](CCNCc1ccccn1)CC(C)C ZINC000053375676 169844778 /nfs/dbraw/zinc/84/47/78/169844778.db2.gz OVZMKOIODRTWOX-UHFFFAOYSA-N 1 0 235.375 2.149 10 0 BEAERO CCCc1nccn1C[C@H](O)C(C)(C)C ZINC000069964399 383854726 /nfs/dbraw/zinc/85/47/26/383854726.db2.gz FVKWTBFKZAWTDV-JTQLQIEISA-N 1 0 210.321 2.243 10 0 BEAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C(N)=O ZINC000035792873 383877381 /nfs/dbraw/zinc/87/73/81/383877381.db2.gz COPKRBMZZPNQJM-BQBZGAKWSA-N 1 0 244.697 2.004 10 0 BEAERO CCc1ccc([C@H](C)[NH2+]CCC(=O)OC)cc1 ZINC000036803944 383910474 /nfs/dbraw/zinc/91/04/74/383910474.db2.gz DZDUXJSWTJRXFD-NSHDSACASA-N 1 0 235.327 2.463 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000647251756 383890700 /nfs/dbraw/zinc/89/07/00/383890700.db2.gz JOIKQYKNUIBTNL-QJPTWQEYSA-N 1 0 232.327 2.374 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289313701 383984416 /nfs/dbraw/zinc/98/44/16/383984416.db2.gz SIKGPMIQVWKDIR-IUCAKERBSA-N 1 0 228.361 2.331 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccnc2)n1 ZINC000112716373 383945257 /nfs/dbraw/zinc/94/52/57/383945257.db2.gz PORMEYNWBRQYED-LLVKDONJSA-N 1 0 243.310 2.341 10 0 BEAERO CCc1cccc2c([C@@H]([NH3+])C(C)=O)c[nH]c21 ZINC000089204000 383946114 /nfs/dbraw/zinc/94/61/14/383946114.db2.gz HWLHIJIGNPGOEU-LBPRGKRZSA-N 1 0 216.284 2.319 10 0 BEAERO O=C(C[NH2+]C1CC1)c1ccc2[nH]ccc2c1 ZINC000089208865 383946883 /nfs/dbraw/zinc/94/68/83/383946883.db2.gz YMYLHEGGAGFTBU-UHFFFAOYSA-N 1 0 214.268 2.103 10 0 BEAERO [NH3+]C[C@@H]1c2ccccc2CCN1CC(F)(F)F ZINC000227722818 134385959 /nfs/dbraw/zinc/38/59/59/134385959.db2.gz NBSOYLSMHOKMHU-LLVKDONJSA-N 1 0 244.260 2.107 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C)c(C)c1 ZINC000037225375 383961807 /nfs/dbraw/zinc/96/18/07/383961807.db2.gz RVMBWIIARWGWDG-LBPRGKRZSA-N 1 0 234.343 2.042 10 0 BEAERO C(c1[nH]nc2c1CCCCN2)[NH+]1CCCCC1 ZINC000003698260 384023032 /nfs/dbraw/zinc/02/30/32/384023032.db2.gz MSMHVZWTXUEADX-UHFFFAOYSA-N 1 0 234.347 2.144 10 0 BEAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(N)=O)cc1 ZINC000038386212 384089040 /nfs/dbraw/zinc/08/90/40/384089040.db2.gz UUZNJWGRKGDDDT-NEPJUHHUSA-N 1 0 248.370 2.410 10 0 BEAERO C[NH2+]C/C=C/c1cc(F)c(F)cc1F ZINC000234347842 384065545 /nfs/dbraw/zinc/06/55/45/384065545.db2.gz UFWBXKPBJSOQEY-NSCUHMNNSA-N 1 0 201.191 2.337 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)C)o1 ZINC000038097641 384069558 /nfs/dbraw/zinc/06/95/58/384069558.db2.gz BALNCZDQMVXALC-VXGBXAGGSA-N 1 0 241.331 2.025 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401839832 384097934 /nfs/dbraw/zinc/09/79/34/384097934.db2.gz QPTGXCRSJJBSOK-NFAWXSAZSA-N 1 0 249.354 2.359 10 0 BEAERO C[NH2+][C@@H](C)CNc1nccc2ccccc21 ZINC000304248304 384099501 /nfs/dbraw/zinc/09/95/01/384099501.db2.gz GKIOPBPPOFCVJJ-JTQLQIEISA-N 1 0 215.300 2.255 10 0 BEAERO Cc1ccc(F)c(C(=O)CC[NH+](C)C)c1 ZINC000039105800 384106922 /nfs/dbraw/zinc/10/69/22/384106922.db2.gz QMNOSNYRRNGRQR-UHFFFAOYSA-N 1 0 209.264 2.269 10 0 BEAERO Cc1ccc([C@@H](O)C[NH2+]C2CC2)c(C)c1 ZINC000039105387 384107033 /nfs/dbraw/zinc/10/70/33/384107033.db2.gz OSCZPRJKLFCETI-ZDUSSCGKSA-N 1 0 205.301 2.089 10 0 BEAERO C[NH2+][C@H](C)c1nnc(-c2ccsc2)o1 ZINC000050618271 384110689 /nfs/dbraw/zinc/11/06/89/384110689.db2.gz JPLTVNLGUXCRDR-ZCFIWIBFSA-N 1 0 209.274 2.079 10 0 BEAERO CC[C@@H](COC)[NH2+][C@@H]1COc2ccccc21 ZINC000070624487 384124466 /nfs/dbraw/zinc/12/44/66/384124466.db2.gz XDMUTOJXWQWLJR-CMPLNLGQSA-N 1 0 221.300 2.135 10 0 BEAERO CC(C)=CC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116312736 384128700 /nfs/dbraw/zinc/12/87/00/384128700.db2.gz WXOKVVOUVKAAFD-GFCCVEGCSA-N 1 0 219.332 2.176 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CO1 ZINC000401866146 384165467 /nfs/dbraw/zinc/16/54/67/384165467.db2.gz VIIBIVXSHDFTDV-NQBHXWOUSA-N 1 0 233.311 2.277 10 0 BEAERO Cc1ccc(O[C@H](C)C2=[NH+]CCN2)c(C)c1 ZINC000027707166 384166327 /nfs/dbraw/zinc/16/63/27/384166327.db2.gz CIPZHMSRWQNFRV-LLVKDONJSA-N 1 0 218.300 2.072 10 0 BEAERO CC[C@]1(C)CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000335976930 384179162 /nfs/dbraw/zinc/17/91/62/384179162.db2.gz XHTLBUGBFUDFSF-ZIAGYGMSSA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)[C@H]([NH3+])COc1ccc(F)cc1F ZINC000041228105 384183566 /nfs/dbraw/zinc/18/35/66/384183566.db2.gz ZOFOKYVRHUDWSQ-SNVBAGLBSA-N 1 0 215.243 2.327 10 0 BEAERO C[C@H]([NH2+]CCc1ccsc1)[C@H]1CCOC1 ZINC000132297120 384183852 /nfs/dbraw/zinc/18/38/52/384183852.db2.gz CMGBNCUFVNGPQH-JQWIXIFHSA-N 1 0 225.357 2.305 10 0 BEAERO CCC[C@H](C)C[NH2+]Cc1cnn(CC)c1 ZINC000133242094 384235545 /nfs/dbraw/zinc/23/55/45/384235545.db2.gz MAVBRAIPOZDVSF-NSHDSACASA-N 1 0 209.337 2.429 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccn1 ZINC000093436711 384238847 /nfs/dbraw/zinc/23/88/47/384238847.db2.gz PEPKJHHQXNRXKE-LSDHHAIUSA-N 1 0 245.370 2.140 10 0 BEAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(O)CC1 ZINC000132120049 384216047 /nfs/dbraw/zinc/21/60/47/384216047.db2.gz LQYNOBSUSVDCJH-CYBMUJFWSA-N 1 0 233.355 2.322 10 0 BEAERO FCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000132868870 384257725 /nfs/dbraw/zinc/25/77/25/384257725.db2.gz RIMLPJQAWQIFCJ-LBPRGKRZSA-N 1 0 237.322 2.175 10 0 BEAERO Cc1c(C[NH2+]CC(C2CC2)C2CC2)cnn1C ZINC000093650364 384258239 /nfs/dbraw/zinc/25/82/39/384258239.db2.gz AWHAQKBJFPYDIZ-UHFFFAOYSA-N 1 0 233.359 2.254 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)cn1 ZINC000385089098 384258406 /nfs/dbraw/zinc/25/84/06/384258406.db2.gz JKWYQPVJOHCFNM-APPZFPTMSA-N 1 0 245.248 2.026 10 0 BEAERO Cc1c(C[NH2+]CCc2cccc(F)c2)cnn1C ZINC000093649409 384258867 /nfs/dbraw/zinc/25/88/67/384258867.db2.gz DXWCPOQPWNLREG-UHFFFAOYSA-N 1 0 247.317 2.200 10 0 BEAERO CCc1ccccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282393684 384260432 /nfs/dbraw/zinc/26/04/32/384260432.db2.gz PCVVPWQPPIOPBO-SMDDNHRTSA-N 1 0 246.354 2.006 10 0 BEAERO FC(F)(F)[C@H]1C[NH2+]C[C@@H](C2CCCC2)O1 ZINC000074942698 384314997 /nfs/dbraw/zinc/31/49/97/384314997.db2.gz PQRFYIAFENWTLV-DTWKUNHWSA-N 1 0 223.238 2.096 10 0 BEAERO Cn1ncc2c1ncnc2NCCC1=CCCC1 ZINC000133272241 384280997 /nfs/dbraw/zinc/28/09/97/384280997.db2.gz JBOQMJBQSKDNJL-UHFFFAOYSA-N 1 0 243.314 2.276 10 0 BEAERO c1ccc2[nH]c(S[C@H]3CCC[NH2+]C3)nc2c1 ZINC000043501608 384281261 /nfs/dbraw/zinc/28/12/61/384281261.db2.gz DWKOPSVZNFWDIJ-VIFPVBQESA-N 1 0 233.340 2.407 10 0 BEAERO Cn1cccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000133599508 384302198 /nfs/dbraw/zinc/30/21/98/384302198.db2.gz SGLMFHJGTHVBIH-UHFFFAOYSA-N 1 0 235.718 2.363 10 0 BEAERO Clc1ccnc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070164 384337115 /nfs/dbraw/zinc/33/71/15/384337115.db2.gz CGYCIEDRGJTQMM-VIFPVBQESA-N 1 0 241.722 2.041 10 0 BEAERO CN(C[C@H]1CCC[NH2+]C1)c1nc2ccccc2o1 ZINC000095071123 384339039 /nfs/dbraw/zinc/33/90/39/384339039.db2.gz FCJWLEZADQCNBA-NSHDSACASA-N 1 0 245.326 2.264 10 0 BEAERO CN(C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2o1 ZINC000095071122 384339327 /nfs/dbraw/zinc/33/93/27/384339327.db2.gz FCJWLEZADQCNBA-LLVKDONJSA-N 1 0 245.326 2.264 10 0 BEAERO CN(C[C@@H]1CCCC[NH2+]1)c1nc2ccccc2o1 ZINC000095070842 384339405 /nfs/dbraw/zinc/33/94/05/384339405.db2.gz WVJMJKKMNZIQKZ-NSHDSACASA-N 1 0 245.326 2.406 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncccc2Cl)C1 ZINC000335577438 384339813 /nfs/dbraw/zinc/33/98/13/384339813.db2.gz DZBZONIJBVVJOI-RKDXNWHRSA-N 1 0 225.723 2.274 10 0 BEAERO CSc1nccc(SC[C@@H]2CCC[NH2+]2)n1 ZINC000095071816 384341085 /nfs/dbraw/zinc/34/10/85/384341085.db2.gz VTROZPFNMHDQFI-QMMMGPOBSA-N 1 0 241.385 2.043 10 0 BEAERO [NH3+]C[C@@H]1CCN(c2nsc3ccccc32)C1 ZINC000095072678 384343311 /nfs/dbraw/zinc/34/33/11/384343311.db2.gz YYIGVOVKISNRGA-VIFPVBQESA-N 1 0 233.340 2.081 10 0 BEAERO [NH3+][C@@H]1CCOc2c(F)cc(Cl)cc21 ZINC000075882235 384344690 /nfs/dbraw/zinc/34/46/90/384344690.db2.gz OIVYNUIVZGGTAZ-MRVPVSSYSA-N 1 0 201.628 2.261 10 0 BEAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(C)cc1 ZINC000095075888 384349929 /nfs/dbraw/zinc/34/99/29/384349929.db2.gz AJJLKVPXIJBVJJ-ZIAGYGMSSA-N 1 0 219.328 2.162 10 0 BEAERO COCc1cccc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000083968333 384352259 /nfs/dbraw/zinc/35/22/59/384352259.db2.gz IPABVYIOIXQMRI-ZWNOBZJWSA-N 1 0 205.301 2.331 10 0 BEAERO COCc1cccc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000083968334 384352564 /nfs/dbraw/zinc/35/25/64/384352564.db2.gz IPABVYIOIXQMRI-GXFFZTMASA-N 1 0 205.301 2.331 10 0 BEAERO c1cncc(CSC[C@@H]2CCC[NH2+]2)c1 ZINC000095092747 384363314 /nfs/dbraw/zinc/36/33/14/384363314.db2.gz PJXHAZPDKZLJKD-NSHDSACASA-N 1 0 208.330 2.067 10 0 BEAERO Cc1n[nH]c(C)c1CC[NH2+]C1CCCCC1 ZINC000005003098 384367387 /nfs/dbraw/zinc/36/73/87/384367387.db2.gz QAZMNIIVQGZEOE-UHFFFAOYSA-N 1 0 221.348 2.491 10 0 BEAERO [NH3+]Cc1sccc1Cc1cccnc1 ZINC000157219311 384326125 /nfs/dbraw/zinc/32/61/25/384326125.db2.gz QFNLOWYNSCLQCI-UHFFFAOYSA-N 1 0 204.298 2.193 10 0 BEAERO C[C@H](N[C@H]1CCCC[C@@H]1[NH3+])c1ccco1 ZINC000095068310 384330141 /nfs/dbraw/zinc/33/01/41/384330141.db2.gz JCBLCHTZHBNZCG-DCAQKATOSA-N 1 0 208.305 2.200 10 0 BEAERO C[C@H](N[C@H]1CCCC[C@@H]1[NH3+])c1ccccn1 ZINC000095068318 384330322 /nfs/dbraw/zinc/33/03/22/384330322.db2.gz JCWKVGUESLPLOG-GVXVVHGQSA-N 1 0 219.332 2.002 10 0 BEAERO Cc1cc(C)nc(OCCC[C@H]2CCC[NH2+]C2)n1 ZINC000095068902 384331862 /nfs/dbraw/zinc/33/18/62/384331862.db2.gz IWMMQTYEMJCQMI-CYBMUJFWSA-N 1 0 249.358 2.252 10 0 BEAERO CSCCCCCC[NH2+]Cc1nccn1C ZINC000134866906 384395008 /nfs/dbraw/zinc/39/50/08/384395008.db2.gz XDWUOBVFYDYERJ-UHFFFAOYSA-N 1 0 241.404 2.433 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000121146485 384401685 /nfs/dbraw/zinc/40/16/85/384401685.db2.gz APPSUDURCUISPS-BZDIYLISSA-N 1 0 217.312 2.467 10 0 BEAERO CC(C)([NH3+])CNc1ncccc1C(F)(F)F ZINC000095936697 384414888 /nfs/dbraw/zinc/41/48/88/384414888.db2.gz GYCWOEOUKRDKHZ-UHFFFAOYSA-N 1 0 233.237 2.250 10 0 BEAERO CC(C)C[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121404625 384414917 /nfs/dbraw/zinc/41/49/17/384414917.db2.gz PQRGBCCABJWYAV-ZJUUUORDSA-N 1 0 239.281 2.278 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000096032644 384420928 /nfs/dbraw/zinc/42/09/28/384420928.db2.gz DVOWJVATCSFJRY-GHMZBOCLSA-N 1 0 242.363 2.227 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOC(C)(C)C ZINC000175347422 384425382 /nfs/dbraw/zinc/42/53/82/384425382.db2.gz QCGXJPKINDJJJT-CYBMUJFWSA-N 1 0 242.407 2.218 10 0 BEAERO COc1ccc(CC[NH+]2[C@H](C)COC[C@H]2C)cc1 ZINC000120809633 384383994 /nfs/dbraw/zinc/38/39/94/384383994.db2.gz AGRFNBQOLVFNFY-CHWSQXEVSA-N 1 0 249.354 2.347 10 0 BEAERO CCSCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175055272 384388127 /nfs/dbraw/zinc/38/81/27/384388127.db2.gz NTDYPXFNVFJKAA-QWHCGFSZSA-N 1 0 242.432 2.298 10 0 BEAERO C[C@@H]1CCCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000648168703 384445311 /nfs/dbraw/zinc/44/53/11/384445311.db2.gz KHDLWUOMEUMIFS-PNESKVBLSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]([NH3+])CCNCc1ccsc1Cl ZINC000312742310 384448917 /nfs/dbraw/zinc/44/89/17/384448917.db2.gz HDWMBHOYEPULND-ZETCQYMHSA-N 1 0 218.753 2.228 10 0 BEAERO C[C@@H](O)CC[N@H+](C)CCCC(=O)c1ccccc1 ZINC000135577083 384453432 /nfs/dbraw/zinc/45/34/32/384453432.db2.gz MSXNLWIDUBZOQY-CYBMUJFWSA-N 1 0 249.354 2.352 10 0 BEAERO C[C@@H](CO)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000135615368 384457024 /nfs/dbraw/zinc/45/70/24/384457024.db2.gz ABAKYZNVJONGSJ-NSHDSACASA-N 1 0 230.311 2.047 10 0 BEAERO Cc1ccc(C)c(-c2ccc(NN)[nH+]n2)c1 ZINC000011567892 384459620 /nfs/dbraw/zinc/45/96/20/384459620.db2.gz OPNVGEAYXVBIIU-UHFFFAOYSA-N 1 0 214.272 2.046 10 0 BEAERO COC(=O)c1cccnc1CN1CCCC[C@@H]1C ZINC000306028875 384483486 /nfs/dbraw/zinc/48/34/86/384483486.db2.gz ZTENZSAZHRFJQA-NSHDSACASA-N 1 0 248.326 2.243 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc(O)c(Cl)c1 ZINC000054929225 384511954 /nfs/dbraw/zinc/51/19/54/384511954.db2.gz SOBRQEGEWJNKPJ-JQWIXIFHSA-N 1 0 243.734 2.452 10 0 BEAERO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1 ZINC000334745731 384486505 /nfs/dbraw/zinc/48/65/05/384486505.db2.gz KEIBBNMARBHNLQ-GXTWGEPZSA-N 1 0 219.328 2.198 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(F)c(F)c1 ZINC000054929480 384515608 /nfs/dbraw/zinc/51/56/08/384515608.db2.gz JJRAWPBAEDZOAD-VXGBXAGGSA-N 1 0 229.270 2.372 10 0 BEAERO CC(C)([NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000019684305 384532304 /nfs/dbraw/zinc/53/23/04/384532304.db2.gz PYQYNZYWOPUGGQ-VIFPVBQESA-N 1 0 244.132 2.220 10 0 BEAERO C[C@@H]([NH3+])c1ccc(-n2ccnc2)c(F)c1 ZINC000019872839 384549917 /nfs/dbraw/zinc/54/99/17/384549917.db2.gz JNCOYGZTURLLHU-MRVPVSSYSA-N 1 0 205.236 2.031 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cccc(CCO)c2)CC1 ZINC000258278757 384550516 /nfs/dbraw/zinc/55/05/16/384550516.db2.gz XGSMHCPSGHNYIA-CQSZACIVSA-N 1 0 233.355 2.421 10 0 BEAERO C[NH+]1CCC(c2cccc(CCO)c2)CC1 ZINC000258241189 384552623 /nfs/dbraw/zinc/55/26/23/384552623.db2.gz RWDQWDMUCPPNAE-UHFFFAOYSA-N 1 0 219.328 2.031 10 0 BEAERO C([NH2+][C@@H]1CCCSC1)[C@H]1CC12CCOCC2 ZINC000309709517 384554018 /nfs/dbraw/zinc/55/40/18/384554018.db2.gz WOBFKIYIAMVQTK-VXGBXAGGSA-N 1 0 241.400 2.288 10 0 BEAERO Brc1cccc(C2=CC[NH2+]C2)c1 ZINC000258267785 384557739 /nfs/dbraw/zinc/55/77/39/384557739.db2.gz PBZUWBXKMGMBAT-UHFFFAOYSA-N 1 0 224.101 2.436 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000334745684 384557901 /nfs/dbraw/zinc/55/79/01/384557901.db2.gz IZXDTRCVQWYKAA-ONGXEEELSA-N 1 0 241.281 2.168 10 0 BEAERO C[C@@H]([NH3+])[C@](C)(O)c1ccc(Br)cc1 ZINC000258372400 384571401 /nfs/dbraw/zinc/57/14/01/384571401.db2.gz WTOYRYGRQQRSIN-XCBNKYQSSA-N 1 0 244.132 2.004 10 0 BEAERO Cc1ccncc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000123772212 384581515 /nfs/dbraw/zinc/58/15/15/384581515.db2.gz WOONCSMNYBZPHR-DZGCQCFKSA-N 1 0 245.370 2.059 10 0 BEAERO C[NH+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000258409601 384581887 /nfs/dbraw/zinc/58/18/87/384581887.db2.gz BYMOCJGBRMZIAN-UHFFFAOYSA-N 1 0 209.680 2.049 10 0 BEAERO Cc1ccc(N(C)[C@H]2CCC[NH2+]C2)cc1 ZINC000050004339 384582822 /nfs/dbraw/zinc/58/28/22/384582822.db2.gz QPGVWOBRRNWERI-ZDUSSCGKSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1cc(C)cc(CC[NH2+]Cc2cncn2C)c1 ZINC000124050593 384609177 /nfs/dbraw/zinc/60/91/77/384609177.db2.gz ODPRGCCTUDWUGQ-UHFFFAOYSA-N 1 0 243.354 2.369 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000124135706 384614598 /nfs/dbraw/zinc/61/45/98/384614598.db2.gz QZTQGDQFESPZPR-NSHDSACASA-N 1 0 248.305 2.076 10 0 BEAERO CCC[C@H](C)C[NH2+]CCCn1ccnc1 ZINC000020506107 384618237 /nfs/dbraw/zinc/61/82/37/384618237.db2.gz YLMRXAARBKBCGV-LBPRGKRZSA-N 1 0 209.337 2.299 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)c(C)c1 ZINC000050394364 384622248 /nfs/dbraw/zinc/62/22/48/384622248.db2.gz GPNSLEIWCOHGAM-JSGCOSHPSA-N 1 0 246.354 2.233 10 0 BEAERO CCc1ccc([C@H]([NH3+])Cn2cccn2)cc1 ZINC000011849731 384623908 /nfs/dbraw/zinc/62/39/08/384623908.db2.gz PZLLQEOJMNVRRB-CYBMUJFWSA-N 1 0 215.300 2.146 10 0 BEAERO [NH3+]C[C@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000098095981 384592719 /nfs/dbraw/zinc/59/27/19/384592719.db2.gz DOTRQWHUCQMNQH-NWDGAFQWSA-N 1 0 203.285 2.098 10 0 BEAERO OC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)CC1 ZINC000293025852 384593888 /nfs/dbraw/zinc/59/38/88/384593888.db2.gz FUJWHFMIYLSMIT-ZFWWWQNUSA-N 1 0 245.366 2.421 10 0 BEAERO CC(C)(C[NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1 ZINC000367578603 384668101 /nfs/dbraw/zinc/66/81/01/384668101.db2.gz WEMICFARQBITCW-QKDCVEJESA-N 1 0 245.366 2.446 10 0 BEAERO Nc1ccc(Cl)c(OCC[NH+]2CCCC2)c1 ZINC000141514812 384674357 /nfs/dbraw/zinc/67/43/57/384674357.db2.gz PYAVUKVYMWKMQK-UHFFFAOYSA-N 1 0 240.734 2.397 10 0 BEAERO CO[C@@H](C[NH2+]C(C)C)COc1cccc(C)c1 ZINC000169330076 384675196 /nfs/dbraw/zinc/67/51/96/384675196.db2.gz OCGZTJVEARZTPH-AWEZNQCLSA-N 1 0 237.343 2.387 10 0 BEAERO c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000124480068 384646073 /nfs/dbraw/zinc/64/60/73/384646073.db2.gz KIDYKOZBJSZDHM-RYUDHWBXSA-N 1 0 232.331 2.059 10 0 BEAERO COC[C@@H](C)C[NH2+]CCc1ccccc1 ZINC000044478285 384652675 /nfs/dbraw/zinc/65/26/75/384652675.db2.gz QYINBDVOMANPHI-LBPRGKRZSA-N 1 0 207.317 2.101 10 0 BEAERO [NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)OCc1ccccc1 ZINC000101708074 384685346 /nfs/dbraw/zinc/68/53/46/384685346.db2.gz KIDIWSPNMARBQG-CRWXNKLISA-N 1 0 245.322 2.103 10 0 BEAERO c1cncc(COCC[C@@H]2CCCC[NH2+]2)c1 ZINC000051862243 384692314 /nfs/dbraw/zinc/69/23/14/384692314.db2.gz YEYYQLPZBUWDLR-ZDUSSCGKSA-N 1 0 220.316 2.130 10 0 BEAERO c1ccc2oc(OC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000051883211 384698056 /nfs/dbraw/zinc/69/80/56/384698056.db2.gz DSVBPJYOOQCDBM-SNVBAGLBSA-N 1 0 232.283 2.206 10 0 BEAERO C[C@@]1(c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000052126149 384718828 /nfs/dbraw/zinc/71/88/28/384718828.db2.gz YYQMPFXOAZURNL-UWVGGRQHSA-N 1 0 226.117 2.438 10 0 BEAERO Clc1cccc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000086933272 384720041 /nfs/dbraw/zinc/72/00/41/384720041.db2.gz OBILPHXDOGYBAR-SNVBAGLBSA-N 1 0 237.734 2.019 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCC(=O)NC ZINC000310004020 384778780 /nfs/dbraw/zinc/77/87/80/384778780.db2.gz FWUXBOBLXITJQJ-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000052271194 384729158 /nfs/dbraw/zinc/72/91/58/384729158.db2.gz BUSDPICUPVRNAF-ATZCPNFKSA-N 1 0 219.284 2.474 10 0 BEAERO CC(=O)CCN1CCO[C@@H](c2ccsc2)C1 ZINC000125593674 384729602 /nfs/dbraw/zinc/72/96/02/384729602.db2.gz PIBAIHMJAVSSPG-GFCCVEGCSA-N 1 0 239.340 2.101 10 0 BEAERO COc1ccc(OC(F)(F)F)cc1C[C@H](C)[NH3+] ZINC000044461195 384731917 /nfs/dbraw/zinc/73/19/17/384731917.db2.gz PCGSYAQAAJIDPZ-ZETCQYMHSA-N 1 0 249.232 2.484 10 0 BEAERO FC(F)(F)c1sccc1C1C[NH2+]C1 ZINC000238583600 384733422 /nfs/dbraw/zinc/73/34/22/384733422.db2.gz CVLYVLURSDCZBO-UHFFFAOYSA-N 1 0 207.220 2.454 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)NCC1CCCCC1 ZINC000054290778 384733839 /nfs/dbraw/zinc/73/38/39/384733839.db2.gz ALYNMFQNHBRKCM-CYBMUJFWSA-N 1 0 238.375 2.073 10 0 BEAERO CC(C)[C@H]1CN(c2ccccc2)CC[NH2+]1 ZINC000083059934 384742298 /nfs/dbraw/zinc/74/22/98/384742298.db2.gz PAGHICNGHPHTLW-CYBMUJFWSA-N 1 0 204.317 2.121 10 0 BEAERO CC1(C)[C@H]([NH2+]Cc2ccoc2)[C@H]2CCO[C@@H]21 ZINC000125925923 384758431 /nfs/dbraw/zinc/75/84/31/384758431.db2.gz GASOVSGVUSVZGY-UTUOFQBUSA-N 1 0 221.300 2.183 10 0 BEAERO CC[C@H]([NH2+]CCN1CCCC1=O)C(C)(C)C ZINC000309993247 384761449 /nfs/dbraw/zinc/76/14/49/384761449.db2.gz BOTZEWFEXGEGMH-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@H]([NH2+]CCN1CCCC1=O)C(C)(C)C ZINC000309993245 384762551 /nfs/dbraw/zinc/76/25/51/384762551.db2.gz BOTZEWFEXGEGMH-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)C[C@H]([NH3+])CN(C)c1ccccc1 ZINC000011805231 384763611 /nfs/dbraw/zinc/76/36/11/384763611.db2.gz RJPZTXQBTRPVEK-LBPRGKRZSA-N 1 0 206.333 2.496 10 0 BEAERO CC[C@@H]([NH2+]CCN1CCSCC1)C(C)(C)C ZINC000309998407 384770335 /nfs/dbraw/zinc/77/03/35/384770335.db2.gz CXOPHCVCKWKGOX-GFCCVEGCSA-N 1 0 244.448 2.450 10 0 BEAERO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126853684 384815567 /nfs/dbraw/zinc/81/55/67/384815567.db2.gz ZLUOFANBVYAOHK-RKDXNWHRSA-N 1 0 228.723 2.157 10 0 BEAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000375749471 384818217 /nfs/dbraw/zinc/81/82/17/384818217.db2.gz FLOBKESFZGSYKX-FZGMBXNASA-N 1 0 247.338 2.385 10 0 BEAERO CC[NH+](CC)Cc1cc(CO)ccc1F ZINC000108381865 384784873 /nfs/dbraw/zinc/78/48/73/384784873.db2.gz UONIYFFMSDYZAU-UHFFFAOYSA-N 1 0 211.280 2.160 10 0 BEAERO CCCC[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000310018626 384786357 /nfs/dbraw/zinc/78/63/57/384786357.db2.gz MBRBERACOFPLOY-NWDGAFQWSA-N 1 0 221.348 2.366 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000310021879 384789754 /nfs/dbraw/zinc/78/97/54/384789754.db2.gz NTXPQLQFAVZSGM-KXUCPTDWSA-N 1 0 239.281 2.468 10 0 BEAERO COc1c(C[NH2+][C@H]2CCC[C@@H]2C)c(C)nn1C ZINC000105504767 384790546 /nfs/dbraw/zinc/79/05/46/384790546.db2.gz LFFKWVCXJQHCRI-CABZTGNLSA-N 1 0 237.347 2.015 10 0 BEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCCC[C@@H]1O ZINC000053883659 384809940 /nfs/dbraw/zinc/80/99/40/384809940.db2.gz AVTWDZJQFZJQOI-KBPBESRZSA-N 1 0 234.343 2.065 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(CO)c1 ZINC000126843210 384811739 /nfs/dbraw/zinc/81/17/39/384811739.db2.gz JCYMRGGSMFFIPC-NRUUGDAUSA-N 1 0 205.301 2.238 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(CO)c1 ZINC000126843419 384812527 /nfs/dbraw/zinc/81/25/27/384812527.db2.gz JCYMRGGSMFFIPC-KWBADKCTSA-N 1 0 205.301 2.238 10 0 BEAERO CSC[C@@H]([NH3+])c1ccc(F)cc1F ZINC000055239258 384877663 /nfs/dbraw/zinc/87/76/63/384877663.db2.gz WXSRJUSRGRZDIG-SECBINFHSA-N 1 0 203.257 2.328 10 0 BEAERO Cc1ccc(F)c(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000127324863 384883078 /nfs/dbraw/zinc/88/30/78/384883078.db2.gz SEJBHSFJMXYEOD-MFKMUULPSA-N 1 0 223.291 2.401 10 0 BEAERO CC(C)C[C@H](O)[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC000013532084 384854630 /nfs/dbraw/zinc/85/46/30/384854630.db2.gz KGYZGGUJJIVOQX-MELADBBJSA-N 1 0 243.391 2.052 10 0 in-vivo BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403714802 384855026 /nfs/dbraw/zinc/85/50/26/384855026.db2.gz YHINWRWYWSQCNF-XVIXHAIJSA-N 1 0 223.360 2.173 10 0 BEAERO C[C@H]1C[C@H](O)CN(c2cc[nH+]c3ccccc32)C1 ZINC000335239220 384866703 /nfs/dbraw/zinc/86/67/03/384866703.db2.gz RYBDIEQFJFRUJT-RYUDHWBXSA-N 1 0 242.322 2.442 10 0 BEAERO Cc1cc(Br)c(C[NH3+])nc1Cl ZINC000156749103 384950170 /nfs/dbraw/zinc/95/01/70/384950170.db2.gz CBUCJFKRXCZFQH-UHFFFAOYSA-N 1 0 235.512 2.265 10 0 BEAERO C[NH+](C)[C@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC000149884490 384950109 /nfs/dbraw/zinc/95/01/09/384950109.db2.gz MUXRYFSHCZLEER-LBPRGKRZSA-N 1 0 240.391 2.365 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccsc1 ZINC000054686021 384954985 /nfs/dbraw/zinc/95/49/85/384954985.db2.gz VZEFGKMNDNQDPU-CHWSQXEVSA-N 1 0 233.336 2.352 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(C)c1 ZINC000368620019 384954773 /nfs/dbraw/zinc/95/47/73/384954773.db2.gz VLVOOBLFKHUHKN-QKDCVEJESA-N 1 0 231.339 2.285 10 0 BEAERO Cc1ccc(N2CCC[NH2+]CC2)cc1C ZINC000049660586 384896057 /nfs/dbraw/zinc/89/60/57/384896057.db2.gz NNZYPSGQDBWGOL-UHFFFAOYSA-N 1 0 204.317 2.103 10 0 BEAERO O=C1Nc2ccccc2[C@H]1CC1CC[NH2+]CC1 ZINC000084783892 384899030 /nfs/dbraw/zinc/89/90/30/384899030.db2.gz NJIGDOCPBIUAGA-GFCCVEGCSA-N 1 0 230.311 2.112 10 0 BEAERO CCC[C@H]1C[C@H]1Nc1nccc(N(C)C)n1 ZINC000301760367 384912430 /nfs/dbraw/zinc/91/24/30/384912430.db2.gz LYBFCNWHAZEEPP-VHSXEESVSA-N 1 0 220.320 2.143 10 0 BEAERO CC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000106385646 384913538 /nfs/dbraw/zinc/91/35/38/384913538.db2.gz TVIVOPPWNYTMBF-AEGPPILISA-N 1 0 249.354 2.219 10 0 BEAERO Clc1ccccc1[C@H]1CN(C2CC2)CC[NH2+]1 ZINC000056894781 384921217 /nfs/dbraw/zinc/92/12/17/384921217.db2.gz RHXAIMYXICXMJR-CYBMUJFWSA-N 1 0 236.746 2.449 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187203814 384923357 /nfs/dbraw/zinc/92/33/57/384923357.db2.gz LAWXUOAEPXQNQA-GWCFXTLKSA-N 1 0 244.338 2.094 10 0 BEAERO C[C@@H]([NH3+])CCNCc1cc(Cl)ccc1F ZINC000258668354 384937589 /nfs/dbraw/zinc/93/75/89/384937589.db2.gz CJGCEBBDAVOTNF-MRVPVSSYSA-N 1 0 230.714 2.306 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+]C1CCSCC1 ZINC000128235861 384937863 /nfs/dbraw/zinc/93/78/63/384937863.db2.gz WMGMNJGBMOMAJK-NSHDSACASA-N 1 0 230.421 2.202 10 0 BEAERO CC(C)CC[NH2+]CCCOc1ccccn1 ZINC000057353400 384942204 /nfs/dbraw/zinc/94/22/04/384942204.db2.gz FYLUMECQVWIWFI-UHFFFAOYSA-N 1 0 222.332 2.486 10 0 BEAERO C[NH+](C)[C@@H]1CC[C@@H](Nc2ncc(Cl)cn2)C1 ZINC000301915365 384945026 /nfs/dbraw/zinc/94/50/26/384945026.db2.gz GKHHAKXVKASTQL-NXEZZACHSA-N 1 0 240.738 2.025 10 0 BEAERO COCc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000128031757 384983470 /nfs/dbraw/zinc/98/34/70/384983470.db2.gz RBJLENZHFMQNAK-OAHLLOKOSA-N 1 0 249.354 2.444 10 0 BEAERO CC(C)CCC[C@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164436335 384990009 /nfs/dbraw/zinc/99/00/09/384990009.db2.gz CXYPWBUXHLVWBC-RYUDHWBXSA-N 1 0 240.391 2.173 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000086249726 385000951 /nfs/dbraw/zinc/00/09/51/385000951.db2.gz ILGZVSPVFCLHES-UWVGGRQHSA-N 1 0 215.655 2.268 10 0 BEAERO CCC[C@@](C)([NH3+])C(=O)NCC1CCCCC1 ZINC000037481386 385054570 /nfs/dbraw/zinc/05/45/70/385054570.db2.gz CVUHWJQZWJQEIC-CYBMUJFWSA-N 1 0 226.364 2.200 10 0 BEAERO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCSC2)o1 ZINC000128291742 385023954 /nfs/dbraw/zinc/02/39/54/385023954.db2.gz CGSPABJIUUYILS-MNOVXSKESA-N 1 0 241.356 2.107 10 0 BEAERO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc2c(c1)CCC2 ZINC000086629678 385033409 /nfs/dbraw/zinc/03/34/09/385033409.db2.gz BLVZODCUMGHRFE-NWDGAFQWSA-N 1 0 233.355 2.454 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccco1 ZINC000165414913 385122971 /nfs/dbraw/zinc/12/29/71/385122971.db2.gz IWKOWKYFTDUKQG-AAEUAGOBSA-N 1 0 223.316 2.430 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1nccs1 ZINC000129219606 385122949 /nfs/dbraw/zinc/12/29/49/385122949.db2.gz IZSUFPGBTZPSGB-HBNTYKKESA-N 1 0 240.372 2.345 10 0 BEAERO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCSC1 ZINC000061589441 385126052 /nfs/dbraw/zinc/12/60/52/385126052.db2.gz MHADGQYDKYLPHX-LBPRGKRZSA-N 1 0 239.388 2.136 10 0 BEAERO CC[C@H]([NH2+]CCCS(=O)(=O)CC)C(C)(C)C ZINC000310039250 385131071 /nfs/dbraw/zinc/13/10/71/385131071.db2.gz WVWGDZVAYKWKBS-NSHDSACASA-N 1 0 249.420 2.226 10 0 BEAERO C[C@@H]1CC[N@@H+](C2CCC(=O)CC2)C[C@@H]1C ZINC000157265580 385131601 /nfs/dbraw/zinc/13/16/01/385131601.db2.gz UPOIARXMVDAKNS-MNOVXSKESA-N 1 0 209.333 2.476 10 0 BEAERO C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccnc1 ZINC000032100477 385131987 /nfs/dbraw/zinc/13/19/87/385131987.db2.gz UXAIVZDODLILGO-HNNXBMFYSA-N 1 0 242.322 2.247 10 0 BEAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccnc1 ZINC000032100474 385132695 /nfs/dbraw/zinc/13/26/95/385132695.db2.gz UXAIVZDODLILGO-OAHLLOKOSA-N 1 0 242.322 2.247 10 0 BEAERO CC[C@@H](C)c1csc(N2CC[NH2+]CC2)n1 ZINC000044494158 385211415 /nfs/dbraw/zinc/21/14/15/385211415.db2.gz QSJBMAYCZNCEHS-SECBINFHSA-N 1 0 225.361 2.066 10 0 BEAERO [NH3+][C@@H]1c2ccccc2[C@@H]2CCCC[C@@H]2[C@@H]1O ZINC000238578236 385256479 /nfs/dbraw/zinc/25/64/79/385256479.db2.gz FJULULWKKOSKMQ-DEQVHRJGSA-N 1 0 217.312 2.335 10 0 BEAERO Cc1cnn([C@@H]2CCC[N@H+](CCCF)C2)c1 ZINC000130330656 385240630 /nfs/dbraw/zinc/24/06/30/385240630.db2.gz KIUFVZCMKJGVGT-GFCCVEGCSA-N 1 0 225.311 2.188 10 0 BEAERO [NH3+]Cc1ccc2cccc(Br)c2n1 ZINC000062618299 385246310 /nfs/dbraw/zinc/24/63/10/385246310.db2.gz IHWLCPXNQRDOJS-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO Nc1ccnc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000246863551 385248771 /nfs/dbraw/zinc/24/87/71/385248771.db2.gz PRDSWUPPKJOAAQ-VXGBXAGGSA-N 1 0 246.358 2.213 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000120316561 385309116 /nfs/dbraw/zinc/30/91/16/385309116.db2.gz WJEVYZQHSNTTMA-PSASIEDQSA-N 1 0 226.707 2.002 10 0 BEAERO [NH3+]Cc1cc(-c2cccnc2)ccc1F ZINC000038069886 385313055 /nfs/dbraw/zinc/31/30/55/385313055.db2.gz QRZGPFITYDWBGN-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO CCCn1cc(C[NH2+]CCCCCOC)cn1 ZINC000116915476 385319832 /nfs/dbraw/zinc/31/98/32/385319832.db2.gz IJBWMMROZQSNAR-UHFFFAOYSA-N 1 0 239.363 2.199 10 0 BEAERO C[C@@H]([NH3+])c1cnn(CCc2ccccc2)c1 ZINC000054716870 385320122 /nfs/dbraw/zinc/32/01/22/385320122.db2.gz BLJBEROOUIARSZ-LLVKDONJSA-N 1 0 215.300 2.146 10 0 BEAERO C[C@H]([NH3+])c1cnn(Cc2cccc(F)c2)c1 ZINC000054716867 385320252 /nfs/dbraw/zinc/32/02/52/385320252.db2.gz JASMHNTWAAENHL-VIFPVBQESA-N 1 0 219.263 2.090 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]CC[C@H]1CCOC1 ZINC000346870256 385265636 /nfs/dbraw/zinc/26/56/36/385265636.db2.gz LSTFSQFRCQWWDB-AAEUAGOBSA-N 1 0 233.311 2.136 10 0 BEAERO CCc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000153610849 385269003 /nfs/dbraw/zinc/26/90/03/385269003.db2.gz SJAGCAJKWUFWIC-ZDUSSCGKSA-N 1 0 246.354 2.025 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000052273018 385270052 /nfs/dbraw/zinc/27/00/52/385270052.db2.gz MMQFQGQMIHBUQH-DOMZBBRYSA-N 1 0 241.338 2.429 10 0 BEAERO O=C(c1ccsc1)[C@H]1C[NH+]2CCC1CC2 ZINC000215681736 385322801 /nfs/dbraw/zinc/32/28/01/385322801.db2.gz LVPOQEDDJVEXCC-NSHDSACASA-N 1 0 221.325 2.273 10 0 BEAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCO)o1 ZINC000177814202 385286900 /nfs/dbraw/zinc/28/69/00/385286900.db2.gz RXQHAKKXSYAKDR-NSHDSACASA-N 1 0 209.289 2.107 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000336704132 385356712 /nfs/dbraw/zinc/35/67/12/385356712.db2.gz LVQZVKMSBSUIKM-OLZOCXBDSA-N 1 0 242.407 2.121 10 0 BEAERO CN(C)[C@H](C[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000309034181 385380503 /nfs/dbraw/zinc/38/05/03/385380503.db2.gz HBEKXRABYDSUKS-NEPJUHHUSA-N 1 0 210.365 2.105 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N)c2)o1 ZINC000193550833 385401348 /nfs/dbraw/zinc/40/13/48/385401348.db2.gz QIHQMECTDLONFG-SNVBAGLBSA-N 1 0 231.299 2.416 10 0 BEAERO [NH3+][C@H](c1cn[nH]c1)c1ccc(Cl)s1 ZINC000062775955 385415596 /nfs/dbraw/zinc/41/55/96/385415596.db2.gz URVDAACBHQJWRN-MRVPVSSYSA-N 1 0 213.693 2.173 10 0 BEAERO C[NH2+][C@@H](c1cn[nH]c1)c1sccc1C ZINC000062777208 385415874 /nfs/dbraw/zinc/41/58/74/385415874.db2.gz IHZWZQQYHXEQCR-VIFPVBQESA-N 1 0 207.302 2.088 10 0 BEAERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCC=CO2)cn1 ZINC000193879371 385416269 /nfs/dbraw/zinc/41/62/69/385416269.db2.gz GWGWRBPOIDZVSV-UONOGXRCSA-N 1 0 247.342 2.250 10 0 BEAERO Cc1cc(C)cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000281860669 385452428 /nfs/dbraw/zinc/45/24/28/385452428.db2.gz ALEAPZYULQRFCB-TZMCWYRMSA-N 1 0 246.354 2.060 10 0 BEAERO Cc1csc([C@H]2CCC[N@@H+](C[C@@H](C)O)C2)n1 ZINC000194952093 385453244 /nfs/dbraw/zinc/45/32/44/385453244.db2.gz ANESQSSBBBQUOF-MNOVXSKESA-N 1 0 240.372 2.012 10 0 BEAERO C[C@@H]([NH2+][C@@H](c1ncc[nH]1)c1cccnc1)C1CC1 ZINC000194966300 385455490 /nfs/dbraw/zinc/45/54/90/385455490.db2.gz PIVLPBVKEYVKQP-ZWNOBZJWSA-N 1 0 242.326 2.282 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc(C)nc1 ZINC000309186503 385458578 /nfs/dbraw/zinc/45/85/78/385458578.db2.gz OYEPDPUPELZYEN-NEPJUHHUSA-N 1 0 205.305 2.063 10 0 BEAERO C=Cn1c(CO)cc2c1[C@@H](C)C[N@H+](C)[C@@H]2C ZINC000196224203 385505984 /nfs/dbraw/zinc/50/59/84/385505984.db2.gz VJWGFAWQJOZHCK-VHSXEESVSA-N 1 0 220.316 2.191 10 0 BEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000302310960 385510171 /nfs/dbraw/zinc/51/01/71/385510171.db2.gz IKRLOGMYBQLKLU-MNOVXSKESA-N 1 0 248.326 2.099 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2cc[nH]c2)C[C@@H](C)O1 ZINC000282154737 385511604 /nfs/dbraw/zinc/51/16/04/385511604.db2.gz HXUUFNGDQWIQOF-GHMZBOCLSA-N 1 0 222.332 2.308 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282244421 385539254 /nfs/dbraw/zinc/53/92/54/385539254.db2.gz JFOJGWWCQVZQOX-SGMGOOAPSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1cnc(NC2CCC([NH3+])CC2)s1 ZINC000107213400 385556910 /nfs/dbraw/zinc/55/69/10/385556910.db2.gz ZJHXJBUGJJXFGO-UHFFFAOYSA-N 1 0 211.334 2.133 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CS1 ZINC000309396290 385561361 /nfs/dbraw/zinc/56/13/61/385561361.db2.gz VJCWIDKPJPRMFW-CYDGBPFRSA-N 1 0 243.416 2.267 10 0 BEAERO CC[C@@H](C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000181124321 385563705 /nfs/dbraw/zinc/56/37/05/385563705.db2.gz PJEYCELSAPLFIZ-CHWSQXEVSA-N 1 0 248.374 2.176 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000181122974 385564402 /nfs/dbraw/zinc/56/44/02/385564402.db2.gz NLQAKCIFEWJBLK-ZYHUDNBSSA-N 1 0 207.321 2.356 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000054075192 385593992 /nfs/dbraw/zinc/59/39/92/385593992.db2.gz ARVCIDKKFOKDKF-KOLCDFICSA-N 1 0 238.356 2.020 10 0 BEAERO C[C@@]1([NH2+]C[C@@]2(C)CCCS2)CCOC1 ZINC000306713380 385596481 /nfs/dbraw/zinc/59/64/81/385596481.db2.gz COSIVAQXLXOAAA-GHMZBOCLSA-N 1 0 215.362 2.041 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000037164536 385597213 /nfs/dbraw/zinc/59/72/13/385597213.db2.gz XBOPWRVNKPSTHH-NXEZZACHSA-N 1 0 241.281 2.358 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](OCc2ccccc2)C1 ZINC000075606535 385588217 /nfs/dbraw/zinc/58/82/17/385588217.db2.gz ZJXHVYNFOOHLNB-QWHCGFSZSA-N 1 0 205.301 2.473 10 0 BEAERO Cc1ccc([C@@H](O)C2CC[NH2+]CC2)s1 ZINC000036906302 385590235 /nfs/dbraw/zinc/59/02/35/385590235.db2.gz XYTDQSMJYREQEO-NSHDSACASA-N 1 0 211.330 2.090 10 0 BEAERO COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]C(C)C ZINC000309459711 385591717 /nfs/dbraw/zinc/59/17/17/385591717.db2.gz NNZVKYDPDUBWOJ-VXGBXAGGSA-N 1 0 227.348 2.496 10 0 BEAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cnccn1 ZINC000280931731 385620298 /nfs/dbraw/zinc/62/02/98/385620298.db2.gz DXGGQYBLTRSNFY-IJLUTSLNSA-N 1 0 249.358 2.331 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000252689487 385656802 /nfs/dbraw/zinc/65/68/02/385656802.db2.gz RJERTUFJQBPRMB-GDLCADMTSA-N 1 0 217.312 2.441 10 0 BEAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1C[C@@H]1C ZINC000322219486 259673575 /nfs/dbraw/zinc/67/35/75/259673575.db2.gz WTKRZSYQBLVSST-BJDJZHNGSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@@H](O)CC[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000253012359 385663861 /nfs/dbraw/zinc/66/38/61/385663861.db2.gz DETPGVTVHZDHQY-DGCLKSJQSA-N 1 0 219.328 2.029 10 0 BEAERO C[C@]1(c2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000052126024 385698179 /nfs/dbraw/zinc/69/81/79/385698179.db2.gz STQRDQYOJVEXSX-VHSXEESVSA-N 1 0 226.117 2.438 10 0 BEAERO C[C@]1(c2ccccc2Br)C[C@@H]1[NH3+] ZINC000052126196 385700245 /nfs/dbraw/zinc/70/02/45/385700245.db2.gz IZDIAOOMGGLPNZ-VHSXEESVSA-N 1 0 226.117 2.438 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCN1CCCC1 ZINC000309583020 385716429 /nfs/dbraw/zinc/71/64/29/385716429.db2.gz RCOASHRCCUVRGK-QWHCGFSZSA-N 1 0 228.355 2.200 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336683749 385670031 /nfs/dbraw/zinc/67/00/31/385670031.db2.gz SOCLZRIJCFFUNG-UPJWGTAASA-N 1 0 243.416 2.390 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336736893 385755622 /nfs/dbraw/zinc/75/56/22/385755622.db2.gz NCDIVJMVRXVUAT-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccncc1 ZINC000271063536 385781882 /nfs/dbraw/zinc/78/18/82/385781882.db2.gz IDHJDGRVWUEEES-UBHSHLNASA-N 1 0 234.343 2.283 10 0 BEAERO C[C@H]([NH2+][C@H]1CCc2nccn2C1)C(C)(C)C ZINC000309590593 385720354 /nfs/dbraw/zinc/72/03/54/385720354.db2.gz UQGVLJGMZVYRLK-QWRGUYRKSA-N 1 0 221.348 2.222 10 0 BEAERO CCCn1cc(C[NH2+][C@@H](C)C(C)C)cn1 ZINC000116912423 385803912 /nfs/dbraw/zinc/80/39/12/385803912.db2.gz TUDHVFBPTPXJQX-NSHDSACASA-N 1 0 209.337 2.427 10 0 BEAERO C[C@@H]([N@H+](C)C[C@H](O)C(F)(F)F)C1(C)CC1 ZINC000121459386 385842966 /nfs/dbraw/zinc/84/29/66/385842966.db2.gz XCSDCNPODMDXFW-SFYZADRCSA-N 1 0 225.254 2.030 10 0 BEAERO O=C(c1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000215682836 385848491 /nfs/dbraw/zinc/84/84/91/385848491.db2.gz CRUAONOLWSHZOP-FGWVZKOKSA-N 1 0 221.325 2.461 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336707303 385791728 /nfs/dbraw/zinc/79/17/28/385791728.db2.gz RRRVNZDCJNGZDZ-RYPBNFRJSA-N 1 0 223.238 2.094 10 0 BEAERO CCOP(=O)(OCC)[C@]1(C)CCC[NH2+]1 ZINC000022057376 385890361 /nfs/dbraw/zinc/89/03/61/385890361.db2.gz UJLWZCRCTUPTKJ-SECBINFHSA-N 1 0 221.237 2.352 10 0 in-vitro BEAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000336741821 385912479 /nfs/dbraw/zinc/91/24/79/385912479.db2.gz WDGGRNIIJIFDSB-QJPTWQEYSA-N 1 0 215.312 2.283 10 0 BEAERO Nc1cc(Cl)ccc1S[C@H]1CC[NH2+]C1 ZINC000051784177 385918095 /nfs/dbraw/zinc/91/80/95/385918095.db2.gz INFMCEXTIQDRIJ-QMMMGPOBSA-N 1 0 228.748 2.376 10 0 BEAERO CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)C(C)(C)C ZINC000336742046 385921653 /nfs/dbraw/zinc/92/16/53/385921653.db2.gz RQPRZYCSCYPSSA-SNVBAGLBSA-N 1 0 228.380 2.173 10 0 BEAERO COC[C@@H](C[NH2+][C@H](C)c1cc(C)oc1C)OC ZINC000219297685 385926948 /nfs/dbraw/zinc/92/69/48/385926948.db2.gz VCMHNHSAABGLOY-ZYHUDNBSSA-N 1 0 241.331 2.208 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC1(C)C)[C@H](O)C(F)(F)F ZINC000336741403 385864937 /nfs/dbraw/zinc/86/49/37/385864937.db2.gz QZENYUKTXDKGNP-YIZRAAEISA-N 1 0 239.281 2.466 10 0 BEAERO Cc1ccsc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000123265219 385865924 /nfs/dbraw/zinc/86/59/24/385865924.db2.gz KDDVWIRBIPCNMF-UWVGGRQHSA-N 1 0 213.346 2.163 10 0 BEAERO C[NH2+][C@H]1COC[C@@H]1c1ccsc1Cl ZINC000575531559 385876783 /nfs/dbraw/zinc/87/67/83/385876783.db2.gz PUUDVCQDBAEHGP-SFYZADRCSA-N 1 0 217.721 2.103 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH+]1CC2(C1)CCCC2 ZINC000123320284 385878825 /nfs/dbraw/zinc/87/88/25/385878825.db2.gz QMWMTUISYRTVQN-NEPJUHHUSA-N 1 0 209.333 2.166 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CCSC2)C12CCC2 ZINC000336769678 385986719 /nfs/dbraw/zinc/98/67/19/385986719.db2.gz SGCYTUXIAJVJMI-WRWGMCAJSA-N 1 0 241.400 2.285 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cccc(OC)n1 ZINC000233409935 385948108 /nfs/dbraw/zinc/94/81/08/385948108.db2.gz JZWUJBQJKIYBSU-CMPLNLGQSA-N 1 0 220.316 2.368 10 0 BEAERO COC[C@@H](C)NCc1ncc(C(C)(C)C)o1 ZINC000309460101 386012642 /nfs/dbraw/zinc/01/26/42/386012642.db2.gz NRHVTYBHSJSSNV-SECBINFHSA-N 1 0 226.320 2.097 10 0 BEAERO CN1CCC([NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000336771301 386034355 /nfs/dbraw/zinc/03/43/55/386034355.db2.gz ULEZIZFQPPZNCD-AAEUAGOBSA-N 1 0 228.355 2.199 10 0 BEAERO C[C@H]([NH3+])c1cnc(C2CCOCC2)s1 ZINC000054160636 386110394 /nfs/dbraw/zinc/11/03/94/386110394.db2.gz XLPKOUWZNLMGKK-ZETCQYMHSA-N 1 0 212.318 2.057 10 0 BEAERO CC(C)(O)CC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000366096298 386064345 /nfs/dbraw/zinc/06/43/45/386064345.db2.gz NTIZDBRKHVRGEJ-RYUDHWBXSA-N 1 0 211.349 2.412 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2CCCCC2)C1 ZINC000055087236 386154975 /nfs/dbraw/zinc/15/49/75/386154975.db2.gz FWJDSGYQAKEHTF-QWHCGFSZSA-N 1 0 238.375 2.200 10 0 BEAERO C[C@H]1CC[C@]([NH3+])(c2cnsc2)CS1 ZINC000575573310 386162464 /nfs/dbraw/zinc/16/24/64/386162464.db2.gz XARUJMYOTWVSOO-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO c1nnc(C2CC[NH2+]CC2)n1C1CCCCC1 ZINC000054526607 386128281 /nfs/dbraw/zinc/12/82/81/386128281.db2.gz IMNZUCOQLKQFHU-UHFFFAOYSA-N 1 0 234.347 2.250 10 0 BEAERO Cc1sccc1[C@H]1OCCC[C@@H]1C[NH3+] ZINC000307183132 386140722 /nfs/dbraw/zinc/14/07/22/386140722.db2.gz WYVYAUJQXQTAPA-KOLCDFICSA-N 1 0 211.330 2.483 10 0 BEAERO C[N@H+](C[C@@H]1Cc2ccccc21)C[C@@H]1CCC[C@H]1O ZINC000287649894 386140891 /nfs/dbraw/zinc/14/08/91/386140891.db2.gz GPDHCZJPSJPSSO-OFQRWUPVSA-N 1 0 245.366 2.419 10 0 BEAERO CC[C@H]([NH3+])c1ncsc1Br ZINC000575571497 386141600 /nfs/dbraw/zinc/14/16/00/386141600.db2.gz WDJRAKGFAHGTGJ-BYPYZUCNSA-N 1 0 221.123 2.315 10 0 BEAERO C[C@H](CC[NH2+]CC1CCCCC1)[S@](C)=O ZINC000125035569 386215495 /nfs/dbraw/zinc/21/54/95/386215495.db2.gz VKISBUVCMVHNNT-IAQYHMDHSA-N 1 0 231.405 2.313 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1ccncc1Br ZINC000575585998 386290980 /nfs/dbraw/zinc/29/09/80/386290980.db2.gz YVZQZURBMUGHQW-DTWKUNHWSA-N 1 0 241.132 2.295 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000125764887 386312058 /nfs/dbraw/zinc/31/20/58/386312058.db2.gz GGVRADGHKUAEPL-ZJUUUORDSA-N 1 0 227.735 2.447 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366344857 386378317 /nfs/dbraw/zinc/37/83/17/386378317.db2.gz GHBKJDLETQDCFW-BZPMIXESSA-N 1 0 238.375 2.295 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000347393054 386379553 /nfs/dbraw/zinc/37/95/53/386379553.db2.gz MCKFZDKIIBPPHZ-KGLIPLIRSA-N 1 0 241.375 2.183 10 0 BEAERO C[C@@H]1CCN1c1c(N)c[nH+]cc1Br ZINC000575591175 386331188 /nfs/dbraw/zinc/33/11/88/386331188.db2.gz NHFHCILPBGKDFP-ZCFIWIBFSA-N 1 0 242.120 2.025 10 0 BEAERO COc1ccc([C@@H]([NH3+])CF)c(Br)c1 ZINC000521401026 386450549 /nfs/dbraw/zinc/45/05/49/386450549.db2.gz VIJSKJWREVRBBK-VIFPVBQESA-N 1 0 248.095 2.427 10 0 BEAERO COc1ccc(CC[N@@H+]2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399162617 386428806 /nfs/dbraw/zinc/42/88/06/386428806.db2.gz AIZLYRSZZXPOSH-GXTWGEPZSA-N 1 0 249.354 2.083 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1c(C)nn(C)c1C ZINC000165032365 386497005 /nfs/dbraw/zinc/49/70/05/386497005.db2.gz GMLUKWFFMOCGNS-DGCLKSJQSA-N 1 0 221.348 2.315 10 0 BEAERO FC(F)(F)c1cccnc1[C@H]1CC[NH2+]C1 ZINC000238576696 386506761 /nfs/dbraw/zinc/50/67/61/386506761.db2.gz NMFYQBGSDABAQS-ZETCQYMHSA-N 1 0 216.206 2.177 10 0 BEAERO Cc1noc([C@@H]2C[NH2+]CC23CCCCC3)n1 ZINC000328579511 386527763 /nfs/dbraw/zinc/52/77/63/386527763.db2.gz MQVVGESPLVGNIX-JTQLQIEISA-N 1 0 221.304 2.015 10 0 BEAERO CC(C)(C)[C@H]1CCC[C@]1([NH3+])c1ncc[nH]1 ZINC000521401702 386460649 /nfs/dbraw/zinc/46/06/49/386460649.db2.gz NATQVRRMWWNESM-BXKDBHETSA-N 1 0 207.321 2.410 10 0 BEAERO C[C@@]1(CN2CCc3ccccc32)CC[NH2+]C1 ZINC000062910914 386532607 /nfs/dbraw/zinc/53/26/07/386532607.db2.gz FHSRJBIIPWQZGY-CQSZACIVSA-N 1 0 216.328 2.049 10 0 BEAERO C[C@@]1(CN2Cc3ccccc3C2)CC[NH2+]C1 ZINC000062912354 386532746 /nfs/dbraw/zinc/53/27/46/386532746.db2.gz IJVMJWNZACCMMK-CQSZACIVSA-N 1 0 216.328 2.002 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cn[nH]c1 ZINC000287750529 386549123 /nfs/dbraw/zinc/54/91/23/386549123.db2.gz LPKSGUIQWAKESX-ZYHUDNBSSA-N 1 0 227.311 2.400 10 0 BEAERO CO[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000308571720 386558560 /nfs/dbraw/zinc/55/85/60/386558560.db2.gz CDULXIBPUYNTTJ-VWYCJHECSA-N 1 0 203.301 2.139 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136191777 386570692 /nfs/dbraw/zinc/57/06/92/386570692.db2.gz WBIKIMJDROIRKY-JSGCOSHPSA-N 1 0 238.375 2.023 10 0 BEAERO CCN(CC)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336782299 386628136 /nfs/dbraw/zinc/62/81/36/386628136.db2.gz XEZSSLDFOGGOPB-OLZOCXBDSA-N 1 0 230.371 2.446 10 0 BEAERO CCC[C@H](C(=O)NC(CC)CC)[NH+](C)C ZINC000179333092 386639126 /nfs/dbraw/zinc/63/91/26/386639126.db2.gz KVUNCJXWEQDSDC-LLVKDONJSA-N 1 0 214.353 2.022 10 0 BEAERO CCC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[NH+](C)C ZINC000179333230 386641465 /nfs/dbraw/zinc/64/14/65/386641465.db2.gz UBAIIVGKYKHYTJ-YNEHKIRRSA-N 1 0 240.391 2.412 10 0 BEAERO [NH3+][C@@H](Cc1ccncc1)c1cccs1 ZINC000053134899 386661357 /nfs/dbraw/zinc/66/13/57/386661357.db2.gz SDUZCWGCCJVTCO-JTQLQIEISA-N 1 0 204.298 2.386 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CCn2cncn2)cc1C ZINC000268836400 386669175 /nfs/dbraw/zinc/66/91/75/386669175.db2.gz PLXJVLORPQGCAF-CYBMUJFWSA-N 1 0 244.342 2.246 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CCn2cncn2)c(C)c1 ZINC000268828663 386670181 /nfs/dbraw/zinc/67/01/81/386670181.db2.gz NVRVHZTVYQITIL-CYBMUJFWSA-N 1 0 244.342 2.246 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000520611994 386708121 /nfs/dbraw/zinc/70/81/21/386708121.db2.gz YETCYXXADNJTLP-HBNTYKKESA-N 1 0 233.302 2.457 10 0 BEAERO CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000122117845 386738018 /nfs/dbraw/zinc/73/80/18/386738018.db2.gz XXHPHVYFYKGZCC-WOPDTQHZSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000122117401 386738037 /nfs/dbraw/zinc/73/80/37/386738037.db2.gz XXHPHVYFYKGZCC-GRYCIOLGSA-N 1 0 226.364 2.055 10 0 BEAERO [NH3+]C/C=C/c1ccsc1Br ZINC000575449458 386791486 /nfs/dbraw/zinc/79/14/86/386791486.db2.gz KYYOTHWHDYKYHU-OWOJBTEDSA-N 1 0 218.119 2.483 10 0 BEAERO Cc1ccc([C@H](N)C[NH3+])c2ccccc12 ZINC000044469684 386778215 /nfs/dbraw/zinc/77/82/15/386778215.db2.gz MCLHQSWECLRUSD-CYBMUJFWSA-N 1 0 200.285 2.107 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)C1CC(C)(C)C1 ZINC000395437420 386831886 /nfs/dbraw/zinc/83/18/86/386831886.db2.gz OXHGCSXYBKYZBM-ZDUSSCGKSA-N 1 0 243.391 2.284 10 0 BEAERO CC[C@H]([NH2+]C[C@@]1(O)CCSC1)C(C)(C)C ZINC000336744410 386855950 /nfs/dbraw/zinc/85/59/50/386855950.db2.gz ZIILJUPPSOTNMW-JQWIXIFHSA-N 1 0 231.405 2.269 10 0 BEAERO C[C@@H]([NH2+]CCC[S@](C)=O)C1C(C)(C)C1(C)C ZINC000336744270 386860956 /nfs/dbraw/zinc/86/09/56/386860956.db2.gz QAJXSKHYYVIAFB-HWPZZCPQSA-N 1 0 245.432 2.415 10 0 BEAERO c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc1 ZINC000301832154 386881133 /nfs/dbraw/zinc/88/11/33/386881133.db2.gz TWLHVYGZBHSPBZ-RAIGVLPGSA-N 1 0 230.311 2.451 10 0 BEAERO Cc1ccnc(NC[C@@H]2CCC[N@H+]2CC(C)C)n1 ZINC000301818401 386882561 /nfs/dbraw/zinc/88/25/61/386882561.db2.gz FMSMEVRTQGRAIY-ZDUSSCGKSA-N 1 0 248.374 2.317 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCN1CCC1 ZINC000336762289 386914258 /nfs/dbraw/zinc/91/42/58/386914258.db2.gz NPKICGCSPMIRED-CHWSQXEVSA-N 1 0 210.365 2.251 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCN1CCC1 ZINC000336762291 386914261 /nfs/dbraw/zinc/91/42/61/386914261.db2.gz NPKICGCSPMIRED-QWHCGFSZSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@@H]([NH2+]C[C@H](O)C1CC1)C1C(C)(C)C1(C)C ZINC000336739722 386896625 /nfs/dbraw/zinc/89/66/25/386896625.db2.gz LPTKSTURQKILBN-KOLCDFICSA-N 1 0 225.376 2.418 10 0 BEAERO Cc1cscc1NC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000334856050 386909110 /nfs/dbraw/zinc/90/91/10/386909110.db2.gz VTCSEGHVNDPZED-RKDXNWHRSA-N 1 0 239.344 2.010 10 0 BEAERO O=C1CCCN1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116297880 386933464 /nfs/dbraw/zinc/93/34/64/386933464.db2.gz UJFMWKVSRQBDSM-GFCCVEGCSA-N 1 0 248.326 2.039 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000425363158 386971278 /nfs/dbraw/zinc/97/12/78/386971278.db2.gz WAWVMWSQMCIQIP-FIQHERPVSA-N 1 0 229.389 2.021 10 0 BEAERO CC[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398734340 386975248 /nfs/dbraw/zinc/97/52/48/386975248.db2.gz DAEZHTYYPRNMQZ-ZDEQEGDKSA-N 1 0 211.349 2.125 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2C1 ZINC000398777976 386990872 /nfs/dbraw/zinc/99/08/72/386990872.db2.gz MLHYCJDYUJZGRE-GZBFAFLISA-N 1 0 249.329 2.419 10 0 BEAERO Cc1nc([C@]2([NH3+])CCS[C@@H]2C)cs1 ZINC000575462336 387034741 /nfs/dbraw/zinc/03/47/41/387034741.db2.gz BMCDLRQQFHXEGI-MUWHJKNJSA-N 1 0 214.359 2.131 10 0 BEAERO [NH3+][C@@H](c1cncs1)C1CC(F)(F)C1 ZINC000575462871 387041891 /nfs/dbraw/zinc/04/18/91/387041891.db2.gz XQLGRXALWGMRAZ-SSDOTTSWSA-N 1 0 204.245 2.188 10 0 BEAERO Cc1ncc([C@H]([NH3+])[C@H]2CCCS2)s1 ZINC000575456216 387027787 /nfs/dbraw/zinc/02/77/87/387027787.db2.gz GCYKARIWIUZKIW-VXNVDRBHSA-N 1 0 214.359 2.347 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN1CCc2sccc2C1 ZINC000020072141 387071319 /nfs/dbraw/zinc/07/13/19/387071319.db2.gz MJNGTBPRJTZTNU-GFCCVEGCSA-N 1 0 238.400 2.480 10 0 BEAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)C)C12CCOCC2 ZINC000186197707 387076497 /nfs/dbraw/zinc/07/64/97/387076497.db2.gz SVKLDNOKFJVXDT-CHWSQXEVSA-N 1 0 241.375 2.206 10 0 BEAERO c1coc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000228348946 387084054 /nfs/dbraw/zinc/08/40/54/387084054.db2.gz SVJDKBOMLLMHLU-YNEHKIRRSA-N 1 0 221.300 2.327 10 0 BEAERO COC(=O)c1cccc([C@H]([NH3+])CC(F)F)c1 ZINC000575437077 387104536 /nfs/dbraw/zinc/10/45/36/387104536.db2.gz MZKJYUWRZMYROW-SECBINFHSA-N 1 0 229.226 2.128 10 0 BEAERO Cc1cnc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000335010369 387105192 /nfs/dbraw/zinc/10/51/92/387105192.db2.gz YYZFNYSSLRJSKX-ZACCUICWSA-N 1 0 237.372 2.171 10 0 BEAERO [NH3+][C@H](CC(F)F)c1cccc2c1OCO2 ZINC000575437137 387105426 /nfs/dbraw/zinc/10/54/26/387105426.db2.gz OZXCIJXZDVFYSY-SSDOTTSWSA-N 1 0 215.199 2.070 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000228687480 387105965 /nfs/dbraw/zinc/10/59/65/387105965.db2.gz FITMXIPXAMQNST-RDBSUJKOSA-N 1 0 223.360 2.483 10 0 BEAERO COc1cccc(OC)c1[C@@H]([NH3+])CC(F)F ZINC000575437211 387106071 /nfs/dbraw/zinc/10/60/71/387106071.db2.gz AQIAKWHMZKUKOR-ZETCQYMHSA-N 1 0 231.242 2.359 10 0 BEAERO CC(C)(C)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518667 387106164 /nfs/dbraw/zinc/10/61/64/387106164.db2.gz IUHADCPAAHIKMA-NSHDSACASA-N 1 0 238.375 2.166 10 0 BEAERO COc1ccc([C@H]([NH3+])CC(F)F)cc1OC ZINC000575437500 387109662 /nfs/dbraw/zinc/10/96/62/387109662.db2.gz HPOBZTHJYCUTAX-MRVPVSSYSA-N 1 0 231.242 2.359 10 0 BEAERO C[C@H]1CCCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000335028442 387121787 /nfs/dbraw/zinc/12/17/87/387121787.db2.gz KWZUOMWUGYHJAR-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@H]1CCCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000335029683 387124722 /nfs/dbraw/zinc/12/47/22/387124722.db2.gz PKGHIDSDSPDIOI-GXTWGEPZSA-N 1 0 238.375 2.167 10 0 BEAERO [NH3+][C@H](CCF)c1ccc(O)c(Cl)c1 ZINC000575439966 387125316 /nfs/dbraw/zinc/12/53/16/387125316.db2.gz PLZMVWIEEYLPBU-MRVPVSSYSA-N 1 0 203.644 2.405 10 0 BEAERO COc1cc(F)c([C@@H]([NH3+])CCF)c(F)c1 ZINC000575439679 387125905 /nfs/dbraw/zinc/12/59/05/387125905.db2.gz UHJFXLQFLURGEK-VIFPVBQESA-N 1 0 219.206 2.333 10 0 BEAERO [NH3+][C@@H](CCF)c1c(F)ccc(F)c1F ZINC000575440061 387127359 /nfs/dbraw/zinc/12/73/59/387127359.db2.gz IEDFXCCGDHPNPZ-ZETCQYMHSA-N 1 0 207.170 2.463 10 0 BEAERO COc1c(F)cccc1[C@@H]([NH3+])CCF ZINC000575440152 387127577 /nfs/dbraw/zinc/12/75/77/387127577.db2.gz KWDKHYKERFRIAN-VIFPVBQESA-N 1 0 201.216 2.194 10 0 BEAERO CC[C@@H](C)C[N@H+](CC)C[C@@H](C)CS(C)(=O)=O ZINC000119597913 387142806 /nfs/dbraw/zinc/14/28/06/387142806.db2.gz MQKSAKVOPVVEBL-VXGBXAGGSA-N 1 0 249.420 2.035 10 0 BEAERO CC(C)[N@@H+](Cc1ccc2c[nH]nc2c1)C[C@H](C)O ZINC000120009947 387147863 /nfs/dbraw/zinc/14/78/63/387147863.db2.gz QAZZRZYNMNOBOH-NSHDSACASA-N 1 0 247.342 2.154 10 0 BEAERO CC1(C)[C@@H]([NH3+])[C@@H]1c1ccncc1Br ZINC000575585999 387148577 /nfs/dbraw/zinc/14/85/77/387148577.db2.gz YVZQZURBMUGHQW-IUCAKERBSA-N 1 0 241.132 2.295 10 0 BEAERO C[C@@H]1C[C@@H](c2cccs2)C[C@@H](O)[N@@H+]1C ZINC000536949682 387160904 /nfs/dbraw/zinc/16/09/04/387160904.db2.gz DLPLKOFQAYXVOD-FXPVBKGRSA-N 1 0 211.330 2.264 10 0 BEAERO CC(C)n1ncc2c1[C@]1(CC2)CCC[NH2+]C1 ZINC000536950492 387161770 /nfs/dbraw/zinc/16/17/70/387161770.db2.gz ROBQHCMMGDQHRQ-ZDUSSCGKSA-N 1 0 219.332 2.031 10 0 BEAERO CCC1(CC)C[NH2+]C[C@@H]1c1cc(C)n[nH]1 ZINC000536951901 387163758 /nfs/dbraw/zinc/16/37/58/387163758.db2.gz ZRKUULLQHLMDPV-SNVBAGLBSA-N 1 0 207.321 2.211 10 0 BEAERO CCC1([N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000536955408 387167735 /nfs/dbraw/zinc/16/77/35/387167735.db2.gz SNCRGINDBAJOKR-BETUJISGSA-N 1 0 224.392 2.497 10 0 BEAERO [NH3+]Cc1cn(C(F)F)c2c1CCCC2 ZINC000536955788 387169547 /nfs/dbraw/zinc/16/95/47/387169547.db2.gz ZOYWUWVNKIOLTE-UHFFFAOYSA-N 1 0 200.232 2.221 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])CN1CC=C(Cl)Cl ZINC000575480111 387169870 /nfs/dbraw/zinc/16/98/70/387169870.db2.gz HDHFLOPSYGJJEA-SFYZADRCSA-N 1 0 223.147 2.117 10 0 BEAERO COc1cc(F)ccc1[C@@H]([NH3+])CCF ZINC000575440436 387133130 /nfs/dbraw/zinc/13/31/30/387133130.db2.gz VGFYVXGREYFSTF-VIFPVBQESA-N 1 0 201.216 2.194 10 0 BEAERO CC1(C)C[C@]1([NH3+])c1ncccc1Br ZINC000575592574 387217692 /nfs/dbraw/zinc/21/76/92/387217692.db2.gz WLFZRMIAHWGITQ-JTQLQIEISA-N 1 0 241.132 2.428 10 0 BEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](C)O)C12CCCC2 ZINC000187723157 387230530 /nfs/dbraw/zinc/23/05/30/387230530.db2.gz PZAFICOGPLGYDL-JHJVBQTASA-N 1 0 241.375 2.037 10 0 BEAERO CCCCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000097359386 387244097 /nfs/dbraw/zinc/24/40/97/387244097.db2.gz VFOXBWRCWIHPIZ-GFCCVEGCSA-N 1 0 228.380 2.269 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]CCC(C)(C)C ZINC000188095893 387248654 /nfs/dbraw/zinc/24/86/54/387248654.db2.gz HDZBCBLALGMZCF-LLVKDONJSA-N 1 0 236.363 2.447 10 0 BEAERO CCCCCC[C@@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188198896 387256299 /nfs/dbraw/zinc/25/62/99/387256299.db2.gz JTJLORRDBWFIIS-GRYCIOLGSA-N 1 0 244.354 2.162 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CC)CC1CCC1 ZINC000230327987 387263372 /nfs/dbraw/zinc/26/33/72/387263372.db2.gz SHTBMCGSGQBWJG-CQSZACIVSA-N 1 0 243.391 2.286 10 0 BEAERO [NH3+]Cc1ccc(C(=O)N2CCC3(CC3)CC2)cc1 ZINC000372023904 387264569 /nfs/dbraw/zinc/26/45/69/387264569.db2.gz AMPGVVWMUJKZFP-UHFFFAOYSA-N 1 0 244.338 2.162 10 0 BEAERO Cn1nccc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000285507296 387270955 /nfs/dbraw/zinc/27/09/55/387270955.db2.gz DAELQKVYSBXMGC-PWSUYJOCSA-N 1 0 225.311 2.038 10 0 BEAERO Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000285507300 387272298 /nfs/dbraw/zinc/27/22/98/387272298.db2.gz DAELQKVYSBXMGC-ZYHUDNBSSA-N 1 0 225.311 2.038 10 0 BEAERO CCC[C@@H]1CCC[N@H+](CCC(=O)NC(C)C)C1 ZINC000120823290 387275685 /nfs/dbraw/zinc/27/56/85/387275685.db2.gz JEDPTZONWVYAGA-CYBMUJFWSA-N 1 0 240.391 2.413 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+]CCn1ccnc1 ZINC000285707795 387280857 /nfs/dbraw/zinc/28/08/57/387280857.db2.gz PJMATPSIJIWKCB-VXGBXAGGSA-N 1 0 225.311 2.001 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)[C@H]1C ZINC000392855857 387294187 /nfs/dbraw/zinc/29/41/87/387294187.db2.gz AXSZXPHYUWLEMK-QNWJLWSRSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C[C@@H](C)C1 ZINC000392871593 387294302 /nfs/dbraw/zinc/29/43/02/387294302.db2.gz QMCCIDWONMWRQP-RXGFPQBGSA-N 1 0 238.375 2.068 10 0 BEAERO CCCC[C@H](CC)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392873129 387294961 /nfs/dbraw/zinc/29/49/61/387294961.db2.gz FJRNMEODOLIZED-RWMBFGLXSA-N 1 0 240.391 2.460 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000392889321 387296568 /nfs/dbraw/zinc/29/65/68/387296568.db2.gz YJCMWZPUDWZPJL-MROQNXINSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392889319 387298051 /nfs/dbraw/zinc/29/80/51/387298051.db2.gz YJCMWZPUDWZPJL-FVCCEPFGSA-N 1 0 238.375 2.069 10 0 BEAERO CCO[C@H]1C[C@@H]([N@H+](C)CCCO)C12CCCC2 ZINC000121188287 387305989 /nfs/dbraw/zinc/30/59/89/387305989.db2.gz AJXHLXRWSBBNJD-OLZOCXBDSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H]([NH3+])c1nc(C2(Cl)CC2)cs1 ZINC000575502420 387356588 /nfs/dbraw/zinc/35/65/88/387356588.db2.gz WONVKZXZPRHKHF-YFKPBYRVSA-N 1 0 202.710 2.391 10 0 BEAERO C[NH2+][C@H]1CO[C@@H](c2ccc(Cl)s2)C1 ZINC000575505980 387372761 /nfs/dbraw/zinc/37/27/61/387372761.db2.gz BJKWRWIFXBKFOW-RNFRBKRXSA-N 1 0 217.721 2.451 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2ccccc2Br)C1 ZINC000575506505 387372798 /nfs/dbraw/zinc/37/27/98/387372798.db2.gz AVRWOQMXDNULQF-XCBNKYQSSA-N 1 0 242.116 2.238 10 0 BEAERO [NH3+]C1([C@H](O)c2sccc2Cl)CCC1 ZINC000575497962 387326485 /nfs/dbraw/zinc/32/64/85/387326485.db2.gz PUJUYVNQPHTQJB-MRVPVSSYSA-N 1 0 217.721 2.316 10 0 BEAERO CCC[C@H](C(=O)NCCC1=CCCC1)[NH+](C)C ZINC000121419057 387348285 /nfs/dbraw/zinc/34/82/85/387348285.db2.gz HDTLAUTYZPBKCL-CYBMUJFWSA-N 1 0 238.375 2.333 10 0 BEAERO CCOc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2O)cc1 ZINC000352674289 387432038 /nfs/dbraw/zinc/43/20/38/387432038.db2.gz PHSHPHSXKDDKFG-LSDHHAIUSA-N 1 0 249.354 2.431 10 0 BEAERO F[C@@H](c1cncs1)[C@@H]1CCCC[NH2+]1 ZINC000575517670 387432158 /nfs/dbraw/zinc/43/21/58/387432158.db2.gz GXHUGBBDYZAZLS-IONNQARKSA-N 1 0 200.282 2.296 10 0 BEAERO CC1(C)[C@@H]([NH3+])C[C@@]1(F)c1cncs1 ZINC000575517743 387433949 /nfs/dbraw/zinc/43/39/49/387433949.db2.gz IKAWWHOXEYHPIS-IMTBSYHQSA-N 1 0 200.282 2.065 10 0 BEAERO CCOc1ccc(C[NH3+])c(OCC)c1F ZINC000575720994 387442358 /nfs/dbraw/zinc/44/23/58/387442358.db2.gz FGYGEQQHCWBRAF-UHFFFAOYSA-N 1 0 213.252 2.082 10 0 BEAERO Cc1ccc(OC(F)F)c(C[NH3+])c1C ZINC000575721751 387444079 /nfs/dbraw/zinc/44/40/79/387444079.db2.gz SUJAFTQZXQXGEJ-UHFFFAOYSA-N 1 0 201.216 2.364 10 0 BEAERO CCOc1ccc(OCC)c(C[NH3+])c1F ZINC000575721854 387445095 /nfs/dbraw/zinc/44/50/95/387445095.db2.gz WRTAZUQJHZDFHE-UHFFFAOYSA-N 1 0 213.252 2.082 10 0 BEAERO CC[C@@H](C)[N@H+](C)Cc1ncccc1C(=O)OC ZINC000304175969 387446416 /nfs/dbraw/zinc/44/64/16/387446416.db2.gz NMVAHIFNBUSCBR-SNVBAGLBSA-N 1 0 236.315 2.099 10 0 BEAERO CC(=O)CC[NH+]1CCC(c2nccs2)CC1 ZINC000373973224 387409317 /nfs/dbraw/zinc/40/93/17/387409317.db2.gz OCCATTPCXRXURR-UHFFFAOYSA-N 1 0 238.356 2.302 10 0 BEAERO C[C@]1([C@@H]([NH3+])c2cncs2)CCCS1 ZINC000575515264 387422816 /nfs/dbraw/zinc/42/28/16/387422816.db2.gz PRSXKYVIARDAGT-DTWKUNHWSA-N 1 0 214.359 2.429 10 0 BEAERO COc1cc2c(c(OC)c1)CC[C@H]([NH+](C)C)C2 ZINC000584626119 387503916 /nfs/dbraw/zinc/50/39/16/387503916.db2.gz POIIPNQJZMDWSB-NSHDSACASA-N 1 0 235.327 2.123 10 0 BEAERO [NH3+]C1([C@H](O)c2sccc2Br)CC1 ZINC000575528087 387537313 /nfs/dbraw/zinc/53/73/13/387537313.db2.gz OQRUQDNPZSJSTJ-SSDOTTSWSA-N 1 0 248.145 2.035 10 0 BEAERO Cc1nc(C[NH3+])n(Cc2ccccc2)c1C ZINC000575538451 387581388 /nfs/dbraw/zinc/58/13/88/387581388.db2.gz RRUAYQSJPMQQBC-UHFFFAOYSA-N 1 0 215.300 2.007 10 0 BEAERO Br/C=C1/CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000575543838 387593077 /nfs/dbraw/zinc/59/30/77/387593077.db2.gz BALBKHUDFDBXQW-LSRCEVBISA-N 1 0 216.122 2.285 10 0 BEAERO CC(C)CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000122862490 387609116 /nfs/dbraw/zinc/60/91/16/387609116.db2.gz RSOOPLJDFOUJNC-STQMWFEESA-N 1 0 240.391 2.364 10 0 BEAERO CC(C)C(=[NH2+])N[C@@H]1CC[C@@H](C)SC1 ZINC000575533651 387554181 /nfs/dbraw/zinc/55/41/81/387554181.db2.gz CHIRTIWFNJLBJA-RKDXNWHRSA-N 1 0 200.351 2.493 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035139685 387555028 /nfs/dbraw/zinc/55/50/28/387555028.db2.gz GRTWSLPJXSNJBO-NXEZZACHSA-N 1 0 240.372 2.313 10 0 BEAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124698824 387627635 /nfs/dbraw/zinc/62/76/35/387627635.db2.gz CJRJAVFCYVWCMB-RQJABVFESA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121078891 387571861 /nfs/dbraw/zinc/57/18/61/387571861.db2.gz KAXPJCFQVDIQJX-GFCCVEGCSA-N 1 0 238.375 2.119 10 0 BEAERO CC1(C)CCSC[C@@H]1[NH2+]C1CSC1 ZINC000575547233 387638541 /nfs/dbraw/zinc/63/85/41/387638541.db2.gz YFEKWYLARKJTDT-VIFPVBQESA-N 1 0 217.403 2.223 10 0 BEAERO C[C@]([NH3+])(c1ccsc1)c1cncs1 ZINC000575549016 387647695 /nfs/dbraw/zinc/64/76/95/387647695.db2.gz GDVRZSZNYDCVSB-VIFPVBQESA-N 1 0 210.327 2.427 10 0 BEAERO CC[NH+](CC)CCCNC(=O)N[C@H](C)C(C)C ZINC000125545317 387661726 /nfs/dbraw/zinc/66/17/26/387661726.db2.gz QBZDEQUKPXTHLS-GFCCVEGCSA-N 1 0 243.395 2.062 10 0 BEAERO [NH3+][C@@H]1CN(c2ccccn2)C[C@H]1c1ccccc1 ZINC000305951811 387668543 /nfs/dbraw/zinc/66/85/43/387668543.db2.gz AFPJRBMXONCRMB-UONOGXRCSA-N 1 0 239.322 2.013 10 0 BEAERO C[C@@H](CC[NH2+]C1(CO)CC1)c1ccccc1 ZINC000126333472 387681092 /nfs/dbraw/zinc/68/10/92/387681092.db2.gz DLNADMNZEWUNMO-LBPRGKRZSA-N 1 0 219.328 2.295 10 0 BEAERO Cc1cc(C)cc(N2CC[C@@H](C[NH3+])C2)c1 ZINC000011891522 177906034 /nfs/dbraw/zinc/90/60/34/177906034.db2.gz FVHAIBKGDYCKIJ-LBPRGKRZSA-N 1 0 204.317 2.088 10 0 BEAERO C[C@H]1CC[C@]([NH3+])(c2cscn2)CS1 ZINC000575573670 387750365 /nfs/dbraw/zinc/75/03/65/387750365.db2.gz ZDIAEBLIUQPQCE-IONNQARKSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1nc([C@@]2([NH3+])CS[C@H](C)C2)cs1 ZINC000575572899 387752995 /nfs/dbraw/zinc/75/29/95/387752995.db2.gz RWVLVOUBVLXVBZ-MUWHJKNJSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@H]1CSC[C@@]1([NH3+])Cc1cccs1 ZINC000575561892 387702762 /nfs/dbraw/zinc/70/27/62/387702762.db2.gz VDOLUJDQDHGMOJ-WPRPVWTQSA-N 1 0 213.371 2.371 10 0 BEAERO CC(C)(C)NC(=O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000127000742 387703943 /nfs/dbraw/zinc/70/39/43/387703943.db2.gz YWQXGJAJSLXGIM-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO C[C@H]1COC[C@]1([NH3+])c1ccc(Cl)s1 ZINC000575570544 387737798 /nfs/dbraw/zinc/73/77/98/387737798.db2.gz KOAFXEJPUSMCRN-IMTBSYHQSA-N 1 0 217.721 2.222 10 0 BEAERO Cc1cc(C)c[n+](OCc2ccccc2)c1 ZINC000005378936 177888142 /nfs/dbraw/zinc/88/81/42/177888142.db2.gz ALHDDFGPPUTQLZ-UHFFFAOYSA-N 1 0 214.288 2.220 10 0 BEAERO CCSCC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000128889668 387758303 /nfs/dbraw/zinc/75/83/03/387758303.db2.gz SHSYBBZRTQVRFG-LBPRGKRZSA-N 1 0 237.368 2.333 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(N)=O ZINC000264898316 387819957 /nfs/dbraw/zinc/81/99/57/387819957.db2.gz VJHUEUHKSNKKMP-AAEUAGOBSA-N 1 0 234.343 2.218 10 0 BEAERO C[C@H](Cc1ccsc1)[NH2+]CC1CC(O)C1 ZINC000528019496 387826078 /nfs/dbraw/zinc/82/60/78/387826078.db2.gz PMSGXNYJKFRHAS-OIKLOGQESA-N 1 0 225.357 2.040 10 0 BEAERO C[C@H](c1ccccc1F)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193621542 387858027 /nfs/dbraw/zinc/85/80/27/387858027.db2.gz GICFMGNUNCDREB-UPJWGTAASA-N 1 0 248.345 2.380 10 0 BEAERO C[C@H](CCN[C@H]1CC[NH2+]C1)CC(C)(C)C ZINC000423061711 387866780 /nfs/dbraw/zinc/86/67/80/387866780.db2.gz RKFLEJGQVQGVBM-NEPJUHHUSA-N 1 0 212.381 2.400 10 0 BEAERO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C2CCC2)C1 ZINC000194868985 387898415 /nfs/dbraw/zinc/89/84/15/387898415.db2.gz YACZMYFVUTVQMZ-CQSZACIVSA-N 1 0 239.359 2.450 10 0 BEAERO CC(C)C1([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000293054384 387883236 /nfs/dbraw/zinc/88/32/36/387883236.db2.gz RUJLKCNGBKVGFU-ZDUSSCGKSA-N 1 0 249.354 2.205 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2nccc3ccccc32)C1 ZINC000168721375 387904803 /nfs/dbraw/zinc/90/48/03/387904803.db2.gz XMHKTBGTVQXGFY-GFCCVEGCSA-N 1 0 241.338 2.281 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CCCC2)C1 ZINC000236948104 387912622 /nfs/dbraw/zinc/91/26/22/387912622.db2.gz XQLNXKXBMFWDQT-VXGBXAGGSA-N 1 0 238.375 2.153 10 0 BEAERO CCC[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195247572 387916067 /nfs/dbraw/zinc/91/60/67/387916067.db2.gz QDTGXEBUSUEDHD-CHWSQXEVSA-N 1 0 238.375 2.119 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)[C@@H]1C[C@H]1C ZINC000321034239 387933807 /nfs/dbraw/zinc/93/38/07/387933807.db2.gz DGOVODOQKIDSAM-SYQHCUMBSA-N 1 0 224.392 2.495 10 0 BEAERO CCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195513330 387921326 /nfs/dbraw/zinc/92/13/26/387921326.db2.gz USFDPLDJFDHGHH-UHFFFAOYSA-N 1 0 207.321 2.389 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000322031758 387960888 /nfs/dbraw/zinc/96/08/88/387960888.db2.gz MHDBUUOGWXHDTM-NAWOPXAZSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@H]([NH3+])c1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000053994557 387975982 /nfs/dbraw/zinc/97/59/82/387975982.db2.gz CUASCTAGWGEWSG-QWRGUYRKSA-N 1 0 245.326 2.235 10 0 BEAERO Cn1cccc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245987905 388000898 /nfs/dbraw/zinc/00/08/98/388000898.db2.gz FOHVUZPGEZELQT-MJBXVCDLSA-N 1 0 234.343 2.072 10 0 BEAERO Cc1cnc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)o1 ZINC000300404648 388005666 /nfs/dbraw/zinc/00/56/66/388005666.db2.gz UJBZIRGSKUVYBT-DGCLKSJQSA-N 1 0 249.358 2.042 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C=C1CCC1 ZINC000246236127 388022547 /nfs/dbraw/zinc/02/25/47/388022547.db2.gz YPZBAZTVLKPCSU-KGLIPLIRSA-N 1 0 248.370 2.182 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000246290301 388028274 /nfs/dbraw/zinc/02/82/74/388028274.db2.gz UNAROKAXRGNYBB-ZIAGYGMSSA-N 1 0 242.407 2.075 10 0 BEAERO C[NH2+][C@H](C)C(=O)c1ccc(Cl)s1 ZINC000071508798 388095969 /nfs/dbraw/zinc/09/59/69/388095969.db2.gz VTSPXQPERGVFBV-RXMQYKEDSA-N 1 0 203.694 2.192 10 0 BEAERO C[NH2+][C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000071508797 388096455 /nfs/dbraw/zinc/09/64/55/388096455.db2.gz VTSPXQPERGVFBV-YFKPBYRVSA-N 1 0 203.694 2.192 10 0 BEAERO COC[C@H]([NH3+])c1ccc(Br)s1 ZINC000071546903 388098713 /nfs/dbraw/zinc/09/87/13/388098713.db2.gz GGVCXQPRULTOOZ-YFKPBYRVSA-N 1 0 236.134 2.157 10 0 BEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CO ZINC000086616792 388104595 /nfs/dbraw/zinc/10/45/95/388104595.db2.gz NLMNYDRKJZCPKP-NWDGAFQWSA-N 1 0 237.343 2.364 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)cs1 ZINC000261527970 135152816 /nfs/dbraw/zinc/15/28/16/135152816.db2.gz IGZKLFLHDQUMMP-OIBJUYFYSA-N 1 0 230.764 2.323 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cncs1 ZINC000164043735 388138245 /nfs/dbraw/zinc/13/82/45/388138245.db2.gz IZCZVNFQYXZTBH-WCBMZHEXSA-N 1 0 228.361 2.201 10 0 BEAERO CCCC[C@@H](COC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000164074215 388147301 /nfs/dbraw/zinc/14/73/01/388147301.db2.gz LJOCLOMHPVBIKF-NWDGAFQWSA-N 1 0 231.380 2.188 10 0 BEAERO CCC[C@H](C(=O)NC[C@H](C)C(C)C)[NH+](C)C ZINC000179404236 256513682 /nfs/dbraw/zinc/51/36/82/256513682.db2.gz TZFGYNXHOZMLCW-NWDGAFQWSA-N 1 0 228.380 2.125 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnn(CC)c1 ZINC000165054339 388250028 /nfs/dbraw/zinc/25/00/28/388250028.db2.gz OIBXBRPUYHJSRK-RYUDHWBXSA-N 1 0 207.321 2.181 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnn(CC)c1 ZINC000165054576 388250477 /nfs/dbraw/zinc/25/04/77/388250477.db2.gz OIBXBRPUYHJSRK-NWDGAFQWSA-N 1 0 207.321 2.181 10 0 BEAERO C[C@@](F)(c1cncs1)[C@H]1CCC[NH2+]1 ZINC000575518981 388355903 /nfs/dbraw/zinc/35/59/03/388355903.db2.gz XQLWSWXMZFACHG-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO C[C@@H]1C[NH2+][C@H]2CCC(F)(F)C[C@H]2S1 ZINC000575520880 388357005 /nfs/dbraw/zinc/35/70/05/388357005.db2.gz UKIDPCNMIONHHH-GJMOJQLCSA-N 1 0 207.289 2.268 10 0 BEAERO CSc1nnc(SC2CC[NH2+]CC2)s1 ZINC000228043733 388376768 /nfs/dbraw/zinc/37/67/68/388376768.db2.gz SAXCOWLJWSRKQB-UHFFFAOYSA-N 1 0 247.414 2.104 10 0 BEAERO Clc1ccccc1[C@H]1C[NH2+]CCOC1 ZINC000071518393 388444724 /nfs/dbraw/zinc/44/47/24/388444724.db2.gz GDHMPVYHZCYRRK-VIFPVBQESA-N 1 0 211.692 2.043 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1c1nc(-c2ccco2)no1 ZINC000335457682 388450876 /nfs/dbraw/zinc/45/08/76/388450876.db2.gz QRXCILQDVHWPBK-IUCAKERBSA-N 1 0 233.271 2.185 10 0 BEAERO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c(C)n1 ZINC000335597201 388451718 /nfs/dbraw/zinc/45/17/18/388451718.db2.gz PDEZRVGDWLNRTR-CMPLNLGQSA-N 1 0 247.342 2.025 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c(C)n1 ZINC000335597202 388452173 /nfs/dbraw/zinc/45/21/73/388452173.db2.gz PDEZRVGDWLNRTR-JQWIXIFHSA-N 1 0 247.342 2.025 10 0 BEAERO CC(C)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000336684992 388462589 /nfs/dbraw/zinc/46/25/89/388462589.db2.gz KBYZSJRZPXEHMT-LLVKDONJSA-N 1 0 201.354 2.419 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N(C)C ZINC000336722126 388469284 /nfs/dbraw/zinc/46/92/84/388469284.db2.gz DROXBHPYNXFWLN-VXGBXAGGSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1ncn(C)n1)[C@@H]1CC1(C)C ZINC000397584895 388481520 /nfs/dbraw/zinc/48/15/20/388481520.db2.gz GZUZMAMSWRVYAJ-VWYCJHECSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](O)C1)C(C)(C)C ZINC000648862285 388472684 /nfs/dbraw/zinc/47/26/84/388472684.db2.gz KPRSSAJBUUBICV-UTUOFQBUSA-N 1 0 213.365 2.371 10 0 BEAERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)cn1 ZINC000134368393 388475693 /nfs/dbraw/zinc/47/56/93/388475693.db2.gz CQTSAHWNNAQZCH-KBPBESRZSA-N 1 0 234.343 2.437 10 0 BEAERO COCCn1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000040163816 388412403 /nfs/dbraw/zinc/41/24/03/388412403.db2.gz FGRXXPWZGNXXMV-GFCCVEGCSA-N 1 0 245.326 2.107 10 0 BEAERO CC1CC(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000573083526 388418854 /nfs/dbraw/zinc/41/88/54/388418854.db2.gz XTKZEKHVVCMNDT-UHFFFAOYSA-N 1 0 248.326 2.009 10 0 BEAERO [NH3+]CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000040954746 388430037 /nfs/dbraw/zinc/43/00/37/388430037.db2.gz JYHWGCPBVIWGTJ-ZDUSSCGKSA-N 1 0 238.139 2.060 10 0 BEAERO COC[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000393496173 388432006 /nfs/dbraw/zinc/43/20/06/388432006.db2.gz XLGNHXFVGALJOC-XHVZSJERSA-N 1 0 223.291 2.306 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000322331644 388432496 /nfs/dbraw/zinc/43/24/96/388432496.db2.gz NXHSKIGSACVRIR-FHUSYTEZSA-N 1 0 211.349 2.172 10 0 BEAERO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C12CCC2 ZINC000308396008 388437994 /nfs/dbraw/zinc/43/79/94/388437994.db2.gz PPABHNZJJLJQEE-MVWJERBFSA-N 1 0 235.331 2.018 10 0 BEAERO CCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000086194154 256779874 /nfs/dbraw/zinc/77/98/74/256779874.db2.gz ICICYQRKRQMHNS-QWHCGFSZSA-N 1 0 210.365 2.345 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CCCC23CC3)c1 ZINC000520841163 388547030 /nfs/dbraw/zinc/54/70/30/388547030.db2.gz HJBWUFUSCYEKTQ-LBPRGKRZSA-N 1 0 219.332 2.114 10 0 BEAERO CC(C)C1([NH2+]CC(=O)NC2CCCCC2)CC1 ZINC000339513228 388484873 /nfs/dbraw/zinc/48/48/73/388484873.db2.gz VEJLPDXVOVAPFN-UHFFFAOYSA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@@H]1CC1(C)C ZINC000397631471 388486321 /nfs/dbraw/zinc/48/63/21/388486321.db2.gz URYMQSPSDDZWOC-NOOOWODRSA-N 1 0 238.375 2.068 10 0 BEAERO CC[C@@H]([NH2+]Cc1nncn1CC)[C@@H]1CC1(C)C ZINC000397654870 388487572 /nfs/dbraw/zinc/48/75/72/388487572.db2.gz BLRNNAPBAIBRLJ-WDEREUQCSA-N 1 0 236.363 2.212 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)[C@@H]1CC1(C)C ZINC000397656152 388488066 /nfs/dbraw/zinc/48/80/66/388488066.db2.gz FZRMDGIGTQRXAK-WOPDTQHZSA-N 1 0 240.391 2.314 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)[C@@H]1CC1(C)C ZINC000397683080 388489546 /nfs/dbraw/zinc/48/95/46/388489546.db2.gz MLZZDDALAYEDRD-SRVKXCTJSA-N 1 0 240.391 2.268 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000397801860 388500613 /nfs/dbraw/zinc/50/06/13/388500613.db2.gz MRTONOGBCPYHPC-SRVKXCTJSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCN[C@H]1C ZINC000398161380 388518431 /nfs/dbraw/zinc/51/84/31/388518431.db2.gz IGIRFHSTGMGVRR-NTZNESFSSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCCN[C@@H]1C ZINC000398161383 388518670 /nfs/dbraw/zinc/51/86/70/388518670.db2.gz IGIRFHSTGMGVRR-WZRBSPASSA-N 1 0 210.365 2.295 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@@H]1O ZINC000346959897 388521749 /nfs/dbraw/zinc/52/17/49/388521749.db2.gz CSDDRYUWDXLVQG-KYOSRNDESA-N 1 0 231.339 2.029 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](CC1CC1)CC2 ZINC000220387416 388605136 /nfs/dbraw/zinc/60/51/36/388605136.db2.gz QWOLKQWGBWLPBO-CHWSQXEVSA-N 1 0 209.333 2.023 10 0 BEAERO [NH3+]CC[C@@H]1CCc2cc3c(cc21)OCC3 ZINC000036448661 388611911 /nfs/dbraw/zinc/61/19/11/388611911.db2.gz CFTVJNKYTVMVCV-VIFPVBQESA-N 1 0 203.285 2.000 10 0 BEAERO C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1[C@H]2COC[C@H]21 ZINC000367686831 388566318 /nfs/dbraw/zinc/56/63/18/388566318.db2.gz JOKSJLQBXSXCPN-ZSOGYDGISA-N 1 0 235.371 2.437 10 0 BEAERO C[C@]1(c2cccs2)C[C@H]1C[NH2+]C1COC1 ZINC000367908450 388567584 /nfs/dbraw/zinc/56/75/84/388567584.db2.gz BMPLEGDRBBYSHL-CABZTGNLSA-N 1 0 223.341 2.014 10 0 BEAERO c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1[C@H]3COC[C@H]31)C2 ZINC000368610459 388569185 /nfs/dbraw/zinc/56/91/85/388569185.db2.gz AIWARYDDCIGNKB-FPCVCCKLSA-N 1 0 243.350 2.026 10 0 BEAERO C[NH2+][C@@H]1c2ccccc2Oc2ncccc21 ZINC000075621651 388575093 /nfs/dbraw/zinc/57/50/93/388575093.db2.gz WXDBRWHFGDQZHG-GFCCVEGCSA-N 1 0 212.252 2.496 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(C)C ZINC000245433837 388578682 /nfs/dbraw/zinc/57/86/82/388578682.db2.gz PLTNRVHSFUUKNN-STQMWFEESA-N 1 0 210.365 2.201 10 0 BEAERO CSCCCC[NH2+]Cc1ccncc1 ZINC000124935944 388667183 /nfs/dbraw/zinc/66/71/83/388667183.db2.gz UXWAKNUHJJVIRH-UHFFFAOYSA-N 1 0 210.346 2.314 10 0 BEAERO COCC[NH2+][C@H](C)c1c(F)cccc1OC ZINC000125228250 388669979 /nfs/dbraw/zinc/66/99/79/388669979.db2.gz VWYDFKJUKQWHSX-SECBINFHSA-N 1 0 227.279 2.131 10 0 BEAERO COC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000125674970 388674724 /nfs/dbraw/zinc/67/47/24/388674724.db2.gz QOGYIWGGPDJSOV-VXGBXAGGSA-N 1 0 227.348 2.354 10 0 BEAERO CCc1ccc(C[NH2+][C@H](C)[C@H](C)CO)s1 ZINC000125719601 388675651 /nfs/dbraw/zinc/67/56/51/388675651.db2.gz FENNBVZBVNRPNJ-NXEZZACHSA-N 1 0 227.373 2.417 10 0 BEAERO CCCn1cc(C[NH2+]C[C@@H](C)SC)cn1 ZINC000125810559 388678183 /nfs/dbraw/zinc/67/81/83/388678183.db2.gz VOJAOLHVVBOCGB-SNVBAGLBSA-N 1 0 227.377 2.134 10 0 BEAERO Cn1cc([C@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)cn1 ZINC000189101665 388621203 /nfs/dbraw/zinc/62/12/03/388621203.db2.gz XCLIQTMICPCNFV-UONOGXRCSA-N 1 0 249.358 2.126 10 0 BEAERO Nc1ccc(Cl)cc1[C@@H]([NH3+])CCF ZINC000575438919 388624810 /nfs/dbraw/zinc/62/48/10/388624810.db2.gz NJUYGPWJFWEYHL-VIFPVBQESA-N 1 0 202.660 2.282 10 0 BEAERO C[NH2+][C@H](c1ccsc1)c1cccnc1 ZINC000037761944 388645652 /nfs/dbraw/zinc/64/56/52/388645652.db2.gz OWCCYFWSZFPSTP-NSHDSACASA-N 1 0 204.298 2.452 10 0 BEAERO COCCCCC[NH2+][C@@H]1CCCSC1 ZINC000128251091 388741790 /nfs/dbraw/zinc/74/17/90/388741790.db2.gz HFIHWNDWISSWLG-LLVKDONJSA-N 1 0 217.378 2.288 10 0 BEAERO C[NH+]1CCC(c2nnc(Cl)s2)CC1 ZINC000575453710 388751062 /nfs/dbraw/zinc/75/10/62/388751062.db2.gz DOQXMBNSMNOUPI-UHFFFAOYSA-N 1 0 217.725 2.001 10 0 BEAERO CC(C)[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195272970 388704008 /nfs/dbraw/zinc/70/40/08/388704008.db2.gz HATPRNLEJFJSOF-NSHDSACASA-N 1 0 238.375 2.022 10 0 BEAERO Cc1cccc2c1SN(CC[NH3+])S2 ZINC000521399995 388704249 /nfs/dbraw/zinc/70/42/49/388704249.db2.gz MNQSHLCYDNQPND-UHFFFAOYSA-N 1 0 212.343 2.284 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](CC(C)C)CN(C)C)nc1 ZINC000127021001 388711693 /nfs/dbraw/zinc/71/16/93/388711693.db2.gz IEWQGKVZCLPXDE-HNNXBMFYSA-N 1 0 249.402 2.456 10 0 BEAERO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1cscn1 ZINC000127871435 388732901 /nfs/dbraw/zinc/73/29/01/388732901.db2.gz LYLQUUNWQQZZMP-GXSJLCMTSA-N 1 0 228.361 2.201 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])Cc1ncccc1Br ZINC000575460363 388806758 /nfs/dbraw/zinc/80/67/58/388806758.db2.gz HPXWXKYGBZYEQY-OIBJUYFYSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@@]1(c2ccc(Br)o2)C[C@@H]([NH3+])CO1 ZINC000575460914 388807008 /nfs/dbraw/zinc/80/70/08/388807008.db2.gz CBDCHOFYZGQSPU-MUWHJKNJSA-N 1 0 246.104 2.005 10 0 BEAERO OC1CC(CNc2cc[nH+]c3ccccc23)C1 ZINC000091525148 388764880 /nfs/dbraw/zinc/76/48/80/388764880.db2.gz CUDIXRDNOQCNQI-UHFFFAOYSA-N 1 0 228.295 2.418 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc2c(c1)CCO2 ZINC000091525539 388765266 /nfs/dbraw/zinc/76/52/66/388765266.db2.gz YZXJUZUISZPWTE-CDWSIMAYSA-N 1 0 247.338 2.043 10 0 BEAERO C[C@H](CCc1ccc(O)cc1)[NH2+]CC1CC(O)C1 ZINC000091525754 388765544 /nfs/dbraw/zinc/76/55/44/388765544.db2.gz XBKAEAHZCKGBGX-NUYPLMSZSA-N 1 0 249.354 2.074 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000252714541 388775519 /nfs/dbraw/zinc/77/55/19/388775519.db2.gz SFJDCKIOEJWCOY-GHMZBOCLSA-N 1 0 239.388 2.278 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cnccn1 ZINC000252730497 388777103 /nfs/dbraw/zinc/77/71/03/388777103.db2.gz LQJWFZFHHIIHQK-MXWKQRLJSA-N 1 0 205.305 2.316 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1cccs1 ZINC000229383477 388787468 /nfs/dbraw/zinc/78/74/68/388787468.db2.gz AJZHYOFWHPSZAP-NSHDSACASA-N 1 0 213.346 2.341 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+]CC1CC(O)C1)CC2 ZINC000092837883 388819551 /nfs/dbraw/zinc/81/95/51/388819551.db2.gz VKNRWSVQKAHCPU-MBRGGSNBSA-N 1 0 247.338 2.043 10 0 BEAERO Cc1nc([C@]2([NH3+])CCS[C@H]2C)cs1 ZINC000575462337 388826605 /nfs/dbraw/zinc/82/66/05/388826605.db2.gz BMCDLRQQFHXEGI-RCOVLWMOSA-N 1 0 214.359 2.131 10 0 BEAERO OC1CC(C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000229238411 388840549 /nfs/dbraw/zinc/84/05/49/388840549.db2.gz ZJDKLWLJKPMAQU-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO CCCC[C@@H](CC)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232981196 388860517 /nfs/dbraw/zinc/86/05/17/388860517.db2.gz FQCMWVXOUKEKSH-JHJVBQTASA-N 1 0 240.391 2.175 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229659432 388862921 /nfs/dbraw/zinc/86/29/21/388862921.db2.gz IZGAMVNVDIDSEF-ZFWWWQNUSA-N 1 0 244.338 2.419 10 0 BEAERO OC1CC(C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000229660083 388863544 /nfs/dbraw/zinc/86/35/44/388863544.db2.gz GNUWMYAMUAXJSO-UHFFFAOYSA-N 1 0 230.311 2.028 10 0 BEAERO C[NH2+][C@H]1CO[C@@H](c2ccsc2Cl)C1 ZINC000575507721 388993435 /nfs/dbraw/zinc/99/34/35/388993435.db2.gz MPYMIAQNRZEOLN-HTRCEHHLSA-N 1 0 217.721 2.451 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2sccc2Br)C1 ZINC000575509328 389003167 /nfs/dbraw/zinc/00/31/67/389003167.db2.gz VHGQCJYXIVFBQX-VDTYLAMSSA-N 1 0 248.145 2.299 10 0 BEAERO Cc1c2[nH]c3cc(O)ccc3c2cc[n+]1C ZINC000169722653 177637044 /nfs/dbraw/zinc/63/70/44/177637044.db2.gz IKSOWGZATCLVAU-UHFFFAOYSA-O 1 0 213.260 2.160 10 0 BEAERO Cc1c([C@@H](C)[NH2+]CC(C)(C)C)cnn1C ZINC000041051396 177627547 /nfs/dbraw/zinc/62/75/47/177627547.db2.gz XCBUAVILWYXPRG-SECBINFHSA-N 1 0 209.337 2.425 10 0 BEAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCSCC1 ZINC000020257409 132330359 /nfs/dbraw/zinc/33/03/59/132330359.db2.gz BCYMELDADVIYPX-SECBINFHSA-N 1 0 240.347 2.399 10 0 BEAERO CC(C)[C@@H](C[NH3+])N1CCCc2ccccc21 ZINC000022177431 132332688 /nfs/dbraw/zinc/33/26/88/132332688.db2.gz VPQOGLSDEJGQNI-CQSZACIVSA-N 1 0 218.344 2.423 10 0 BEAERO Cc1ccc2c(c1)CCCN2[C@@H](C)CC[NH3+] ZINC000041042515 132349206 /nfs/dbraw/zinc/34/92/06/132349206.db2.gz MLFPTGJGFHLGDQ-LBPRGKRZSA-N 1 0 218.344 2.485 10 0 BEAERO Cc1ccc(F)cc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049709652 132357387 /nfs/dbraw/zinc/35/73/87/132357387.db2.gz YYGYPTVTZIWJKS-CMPLNLGQSA-N 1 0 222.307 2.450 10 0 BEAERO C([NH2+]C[C@H]1CCCCS1)C1CCOCC1 ZINC000087684011 533368531 /nfs/dbraw/zinc/36/85/31/533368531.db2.gz WEHSXYJEIQUIFL-GFCCVEGCSA-N 1 0 229.389 2.288 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000042212943 322836824 /nfs/dbraw/zinc/83/68/24/322836824.db2.gz VHBCZHYHLPQVDV-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO Cc1cccc(N2CC[NH2+][C@@H](C)C2)c1C ZINC000016944744 132323494 /nfs/dbraw/zinc/32/34/94/132323494.db2.gz CLTFZWGLPPPSLP-NSHDSACASA-N 1 0 204.317 2.102 10 0 BEAERO Cc1ccc(C)c(N2CC[NH2+][C@@H](C)C2)c1 ZINC000016944759 132323615 /nfs/dbraw/zinc/32/36/15/132323615.db2.gz IGPQVKKOTBDMIP-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO CC[C@@H]1CN(c2ccc(C)cc2)CC[NH2+]1 ZINC000016944791 132323683 /nfs/dbraw/zinc/32/36/83/132323683.db2.gz JXSLAGMROSMLSV-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccc(C)c(N2CC[NH2+][C@H](C)C2)c1 ZINC000016944755 132323752 /nfs/dbraw/zinc/32/37/52/132323752.db2.gz IGPQVKKOTBDMIP-GFCCVEGCSA-N 1 0 204.317 2.102 10 0 BEAERO [NH3+]C1CCN(c2ccc(F)c(F)c2F)CC1 ZINC000019478423 132325372 /nfs/dbraw/zinc/32/53/72/132325372.db2.gz PTQZSGWDWHXTCB-UHFFFAOYSA-N 1 0 230.233 2.031 10 0 BEAERO Cc1ccc2c(c1)CCCN2CCCC[NH3+] ZINC000019485942 132325508 /nfs/dbraw/zinc/32/55/08/132325508.db2.gz ZQIZTOXWJQXLJS-UHFFFAOYSA-N 1 0 218.344 2.487 10 0 BEAERO C[C@@H]1CCCN(c2ccc(C(N)=[NH2+])cc2)C1 ZINC000019865729 132327899 /nfs/dbraw/zinc/32/78/99/132327899.db2.gz LNOGPYJXOPEKNO-SNVBAGLBSA-N 1 0 217.316 2.207 10 0 BEAERO C[C@H]1CCCCN1c1ccccc1C(N)=[NH2+] ZINC000020075784 132329295 /nfs/dbraw/zinc/32/92/95/132329295.db2.gz REIWXBKIMKCKNO-JTQLQIEISA-N 1 0 217.316 2.349 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2ccccc2C(N)=[NH2+])C1 ZINC000020076052 132329653 /nfs/dbraw/zinc/32/96/53/132329653.db2.gz OVVNSCWDMOFAQJ-PHIMTYICSA-N 1 0 231.343 2.453 10 0 BEAERO CC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000033605060 132336030 /nfs/dbraw/zinc/33/60/30/132336030.db2.gz LZGUSKVMQCBGSX-UHFFFAOYSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2ccc(C(N)=[NH2+])cc2)C1 ZINC000035240324 132337882 /nfs/dbraw/zinc/33/78/82/132337882.db2.gz GRFBKFVIQWJFSM-QWRGUYRKSA-N 1 0 231.343 2.453 10 0 BEAERO C[C@@H]1COCCN1c1ccccc1C[NH2+]C1CC1 ZINC000035777765 132339439 /nfs/dbraw/zinc/33/94/39/132339439.db2.gz XYFVGBDNIFGMPU-GFCCVEGCSA-N 1 0 246.354 2.164 10 0 BEAERO CC[NH2+]Cc1ccccc1N1C[C@H](C)OC[C@@H]1C ZINC000035788519 132339709 /nfs/dbraw/zinc/33/97/09/132339709.db2.gz QKOPCQHMLHSGFI-STQMWFEESA-N 1 0 248.370 2.410 10 0 BEAERO CC[C@@H]1CCCN(c2ncccc2C[NH3+])C1 ZINC000036168554 132340330 /nfs/dbraw/zinc/34/03/30/132340330.db2.gz KBZNRUHVFRRQQX-LLVKDONJSA-N 1 0 219.332 2.167 10 0 BEAERO CCCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037198020 132343571 /nfs/dbraw/zinc/34/35/71/132343571.db2.gz IICALBKSSRACNP-GFCCVEGCSA-N 1 0 232.327 2.484 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037186674 132343596 /nfs/dbraw/zinc/34/35/96/132343596.db2.gz WWUUKOYBNJJXRX-JQWIXIFHSA-N 1 0 232.327 2.482 10 0 BEAERO CC(C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186305 132343768 /nfs/dbraw/zinc/34/37/68/132343768.db2.gz MXTNDMNWSZJGGP-LLVKDONJSA-N 1 0 218.300 2.092 10 0 BEAERO C[NH2+]C1CCN(c2ccc(C)c(C)c2)CC1 ZINC000037241797 132343865 /nfs/dbraw/zinc/34/38/65/132343865.db2.gz SRTYGFDLJOFSHB-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO C[NH2+]C1CCN(c2ccccc2C)CC1 ZINC000037242183 132343880 /nfs/dbraw/zinc/34/38/80/132343880.db2.gz SDOOVPIGBDIQQQ-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO C[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000037242098 132343889 /nfs/dbraw/zinc/34/38/89/132343889.db2.gz SOWYRBWIKFVPJE-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO [NH3+]C1CCN(c2cccc3cnccc32)CC1 ZINC000037372997 132344307 /nfs/dbraw/zinc/34/43/07/132344307.db2.gz AJVJCQBNGMNQGC-UHFFFAOYSA-N 1 0 227.311 2.162 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)C1CC1 ZINC000037259669 132344310 /nfs/dbraw/zinc/34/43/10/132344310.db2.gz XIJKYBJRCUTBMO-ZWNOBZJWSA-N 1 0 244.338 2.482 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1cccc(Cl)c1F ZINC000038276633 132346083 /nfs/dbraw/zinc/34/60/83/132346083.db2.gz GFJABTPAYSWQOD-MRVPVSSYSA-N 1 0 228.698 2.277 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1ccc(Cl)cc1F ZINC000038212919 132346132 /nfs/dbraw/zinc/34/61/32/132346132.db2.gz PZZWVJFHCCPXCR-MRVPVSSYSA-N 1 0 228.698 2.277 10 0 BEAERO C[C@@H](O)c1ccccc1N1CC[NH+](C2CC2)CC1 ZINC000042490699 132352539 /nfs/dbraw/zinc/35/25/39/132352539.db2.gz IHEMKFXGSKTEOB-GFCCVEGCSA-N 1 0 246.354 2.024 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCCC[C@@H]2C)n1 ZINC000043395448 132352944 /nfs/dbraw/zinc/35/29/44/132352944.db2.gz QEODFXCZWBMAIT-NSHDSACASA-N 1 0 219.332 2.228 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1CCO[C@H]2CCC[C@@H]21 ZINC000043425782 132353135 /nfs/dbraw/zinc/35/31/35/132353135.db2.gz PHJNRKFOCAXDFD-UGFHNGPFSA-N 1 0 246.354 2.464 10 0 BEAERO CN1c2ccccc2[C@H]([NH2+][C@@H]2CC2(C)C)CC1=O ZINC000045117713 132354680 /nfs/dbraw/zinc/35/46/80/132354680.db2.gz KYXXRDJWYPIYAZ-DGCLKSJQSA-N 1 0 244.338 2.482 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000049693942 132356682 /nfs/dbraw/zinc/35/66/82/132356682.db2.gz DBYHHRNNNAFAIO-MFKMUULPSA-N 1 0 222.307 2.260 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1cccc(F)c1 ZINC000049693955 132356699 /nfs/dbraw/zinc/35/66/99/132356699.db2.gz OWOBPEFECWVNLW-GXSJLCMTSA-N 1 0 208.280 2.142 10 0 BEAERO C[C@@H]1CN(c2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000049707860 132357003 /nfs/dbraw/zinc/35/70/03/132357003.db2.gz ZKOHLAJOWZBXLA-ABAIWWIYSA-N 1 0 230.355 2.349 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2)C[C@@H]1C ZINC000049709208 132357229 /nfs/dbraw/zinc/35/72/29/132357229.db2.gz QEVMMWYKVWEAJT-AAEUAGOBSA-N 1 0 204.317 2.121 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C[C@H]1C ZINC000049708752 132357255 /nfs/dbraw/zinc/35/72/55/132357255.db2.gz MBSWXIYLFSSKBE-SKDRFNHKSA-N 1 0 240.297 2.399 10 0 BEAERO Cc1ccc(F)cc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049709651 132357365 /nfs/dbraw/zinc/35/73/65/132357365.db2.gz YYGYPTVTZIWJKS-JQWIXIFHSA-N 1 0 222.307 2.450 10 0 BEAERO Cc1cccc(N2CC[C@@H]([NH3+])[C@H](C)C2)c1C ZINC000049709296 132357426 /nfs/dbraw/zinc/35/74/26/132357426.db2.gz VKNCUZDGAHHGMN-DGCLKSJQSA-N 1 0 218.344 2.477 10 0 BEAERO COc1cccc(N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049709844 132357505 /nfs/dbraw/zinc/35/75/05/132357505.db2.gz CZSHLKNYPFPVOZ-QWRGUYRKSA-N 1 0 220.316 2.011 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000049709854 132357523 /nfs/dbraw/zinc/35/75/23/132357523.db2.gz QLWCSHGWBJWXGL-RYUDHWBXSA-N 1 0 234.343 2.272 10 0 BEAERO Cc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)c(F)c1 ZINC000049710046 132357526 /nfs/dbraw/zinc/35/75/26/132357526.db2.gz PVZPCXNQHDZVLU-QWRGUYRKSA-N 1 0 222.307 2.450 10 0 BEAERO Cc1ccc(F)c(N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049710086 132357538 /nfs/dbraw/zinc/35/75/38/132357538.db2.gz DKZQXXLZDQEKLK-QWRGUYRKSA-N 1 0 222.307 2.450 10 0 BEAERO Cc1ccccc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049709968 132357599 /nfs/dbraw/zinc/35/75/99/132357599.db2.gz AHCYISSFWIISQA-NWDGAFQWSA-N 1 0 204.317 2.311 10 0 BEAERO Cc1ccccc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049709967 132357600 /nfs/dbraw/zinc/35/76/00/132357600.db2.gz AHCYISSFWIISQA-RYUDHWBXSA-N 1 0 204.317 2.311 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(COC)c2)C[C@H]1C ZINC000049713767 132357858 /nfs/dbraw/zinc/35/78/58/132357858.db2.gz YIONFGDAPQGTII-DOMZBBRYSA-N 1 0 248.370 2.267 10 0 BEAERO CC(C)(C[NH3+])CN1CCCc2ccccc21 ZINC000049816980 132358116 /nfs/dbraw/zinc/35/81/16/132358116.db2.gz IDPCQAGXACLDQN-UHFFFAOYSA-N 1 0 218.344 2.424 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCC[C@@H](C)[C@@H]2C)n1 ZINC000050562877 132359175 /nfs/dbraw/zinc/35/91/75/132359175.db2.gz SKWJAHVEORKBQL-PWSUYJOCSA-N 1 0 233.359 2.474 10 0 BEAERO CC1CCN(c2ccc(Cl)c(C[NH3+])n2)CC1 ZINC000051396108 132360056 /nfs/dbraw/zinc/36/00/56/132360056.db2.gz YEAVFTJLLRWVJF-UHFFFAOYSA-N 1 0 239.750 2.430 10 0 BEAERO [NH3+]Cc1cccc(N2CCc3sccc3C2)n1 ZINC000051396243 132360191 /nfs/dbraw/zinc/36/01/91/132360191.db2.gz NGGBXRHGMLHYBI-UHFFFAOYSA-N 1 0 245.351 2.165 10 0 BEAERO C[NH2+]Cc1ccnc(N2CCC[C@@H](C)C2)c1 ZINC000051399904 132360663 /nfs/dbraw/zinc/36/06/63/132360663.db2.gz OTKMUAUSSDWDNF-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO C[NH2+]Cc1cccc(N2CCC[C@H](C)C2)n1 ZINC000051399861 132360782 /nfs/dbraw/zinc/36/07/82/132360782.db2.gz HBSVDJLSNLPFRQ-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCSCC2)c1 ZINC000051578919 132361281 /nfs/dbraw/zinc/36/12/81/132361281.db2.gz AZWNXXNRPQQTRK-UHFFFAOYSA-N 1 0 222.357 2.007 10 0 BEAERO C[C@@H]1CCN(c2ncccc2C[NH3+])[C@H](C)C1 ZINC000051728438 132361480 /nfs/dbraw/zinc/36/14/80/132361480.db2.gz UJIBLZBIIKNHNH-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO C[NH2+]Cc1ccc(N2CC[C@H](C)C[C@H]2C)nc1 ZINC000051748980 132361852 /nfs/dbraw/zinc/36/18/52/132361852.db2.gz HNYRLATVZQHNMF-NWDGAFQWSA-N 1 0 233.359 2.426 10 0 BEAERO C[NH2+]CC[C@@H](C)N1CCCc2ccccc21 ZINC000052421505 132362153 /nfs/dbraw/zinc/36/21/53/132362153.db2.gz BJWOGJXCMDZBGQ-GFCCVEGCSA-N 1 0 218.344 2.437 10 0 BEAERO [NH3+][C@H]1CCN(c2ccc(N3CCCCC3)cc2)C1 ZINC000057955967 132367446 /nfs/dbraw/zinc/36/74/46/132367446.db2.gz JXHARFPPZDVSFH-ZDUSSCGKSA-N 1 0 245.370 2.214 10 0 BEAERO CCC[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000058111905 132367954 /nfs/dbraw/zinc/36/79/54/132367954.db2.gz VVJYXHOEYRZVIA-LBPRGKRZSA-N 1 0 232.327 2.396 10 0 BEAERO Cc1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000058439724 132368132 /nfs/dbraw/zinc/36/81/32/132368132.db2.gz GUXQNONNKRPHBV-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO CCN(CC)c1ccc(N2CC[NH2+]C[C@@H]2C)cc1 ZINC000058449488 132368177 /nfs/dbraw/zinc/36/81/77/132368177.db2.gz UFIAUWUETWGZQZ-ZDUSSCGKSA-N 1 0 247.386 2.331 10 0 BEAERO Cc1cc(N2CCC(C[NH+](C)C)CC2)ccc1N ZINC000058945857 132368553 /nfs/dbraw/zinc/36/85/53/132368553.db2.gz CNCLSQOVRZZBID-UHFFFAOYSA-N 1 0 247.386 2.355 10 0 BEAERO CC1(C)CCN(c2ncccc2C[NH3+])CC1 ZINC000061817956 132387195 /nfs/dbraw/zinc/38/71/95/132387195.db2.gz VKXRUAHWUASNMB-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO C[C@@H]1CN(c2cc(Cl)ccc2C[NH3+])CCO1 ZINC000062786726 132388694 /nfs/dbraw/zinc/38/86/94/132388694.db2.gz LVOZFTOUGCCGFC-SECBINFHSA-N 1 0 240.734 2.024 10 0 BEAERO [NH2+]=C(C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000062989864 132388799 /nfs/dbraw/zinc/38/87/99/132388799.db2.gz GKGAJPXPBOZBHK-UHFFFAOYSA-N 1 0 247.317 2.335 10 0 BEAERO CN1c2ccc([C@@H]([NH3+])C3CCC3)cc2CCC1=O ZINC000062806434 132388876 /nfs/dbraw/zinc/38/88/76/132388876.db2.gz YDNBIIRTSZMJTR-HNNXBMFYSA-N 1 0 244.338 2.396 10 0 BEAERO Cc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc1C ZINC000071520918 132392653 /nfs/dbraw/zinc/39/26/53/132392653.db2.gz HHDZSKPZFRXZPO-STQMWFEESA-N 1 0 218.344 2.490 10 0 BEAERO [NH3+]CCc1cc(F)ccc1N1CCCCC1 ZINC000071524542 132393605 /nfs/dbraw/zinc/39/36/05/132393605.db2.gz AIUUZLUIWCOVCG-UHFFFAOYSA-N 1 0 222.307 2.317 10 0 BEAERO C[C@@H]1CN(c2ccc(F)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000071532823 132393740 /nfs/dbraw/zinc/39/37/40/132393740.db2.gz PVBSZOORORTGAZ-BDAKNGLRSA-N 1 0 226.270 2.151 10 0 BEAERO [NH3+]CCc1c(F)cccc1N1CCCCC1 ZINC000071524535 132393894 /nfs/dbraw/zinc/39/38/94/132393894.db2.gz RASLSXXCASWNKX-UHFFFAOYSA-N 1 0 222.307 2.317 10 0 BEAERO CC[C@@H]1CN(c2ccc(C)cc2F)CC[NH2+]1 ZINC000083060180 132419523 /nfs/dbraw/zinc/41/95/23/132419523.db2.gz SRXYDMRNQWOTCE-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccccn1 ZINC000083117969 132420725 /nfs/dbraw/zinc/42/07/25/132420725.db2.gz ZAHPXYLRTYOMDC-NWDGAFQWSA-N 1 0 219.332 2.048 10 0 BEAERO CCC[C@H](C[NH3+])N1CCN(C)c2ccccc21 ZINC000104266776 132435240 /nfs/dbraw/zinc/43/52/40/132435240.db2.gz PZGRJUBUWITZGX-GFCCVEGCSA-N 1 0 233.359 2.070 10 0 BEAERO CCCc1cc(N2CCCC[C@@H]2CC[NH3+])ncn1 ZINC000104322504 132436286 /nfs/dbraw/zinc/43/62/86/132436286.db2.gz WRPKJUGBXZMXIW-CYBMUJFWSA-N 1 0 248.374 2.137 10 0 BEAERO COC[C@H](C)C[NH2+]CCc1ccccc1 ZINC000044478287 322840789 /nfs/dbraw/zinc/84/07/89/322840789.db2.gz QYINBDVOMANPHI-GFCCVEGCSA-N 1 0 207.317 2.101 10 0 BEAERO COC(=O)[C@H](C)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000166402257 133896725 /nfs/dbraw/zinc/89/67/25/133896725.db2.gz VSRBDZJAUSZGBP-MNOVXSKESA-N 1 0 227.348 2.164 10 0 BEAERO C[C@@H](C[N@@H+]1CCOCC2(CC2)C1)C(F)(F)F ZINC000335975408 134030745 /nfs/dbraw/zinc/03/07/45/134030745.db2.gz OYAQNXKHHWCXHA-VIFPVBQESA-N 1 0 237.265 2.297 10 0 BEAERO CCC1(C[N@@H+]2CCC[C@](C)(O)C2)CCOCC1 ZINC000336028563 134057714 /nfs/dbraw/zinc/05/77/14/134057714.db2.gz SZHURERPZFPPJZ-ZDUSSCGKSA-N 1 0 241.375 2.040 10 0 BEAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000167991768 134155182 /nfs/dbraw/zinc/15/51/82/134155182.db2.gz JUMCKPLGWMCWGQ-FVCCEPFGSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1cnc(CN2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000173541057 134275372 /nfs/dbraw/zinc/27/53/72/134275372.db2.gz MDNAHDUAFCQXLK-NWDGAFQWSA-N 1 0 236.315 2.126 10 0 BEAERO CCn1cnnc1C1CC[NH+](CC2CCC2)CC1 ZINC000173703371 134276334 /nfs/dbraw/zinc/27/63/34/134276334.db2.gz ZHJFDTHOZWVFFY-UHFFFAOYSA-N 1 0 248.374 2.278 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C=C(C)C ZINC000174999736 134283866 /nfs/dbraw/zinc/28/38/66/134283866.db2.gz WLQJALPGOGLSIP-QWHCGFSZSA-N 1 0 236.359 2.038 10 0 BEAERO COC(=O)[C@@H](C)SCc1nccn1C(C)C ZINC000177241175 134296707 /nfs/dbraw/zinc/29/67/07/134296707.db2.gz HCMKXHIBRZWESQ-SECBINFHSA-N 1 0 242.344 2.259 10 0 BEAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)C1CC1)CC2 ZINC000177274732 134298913 /nfs/dbraw/zinc/29/89/13/134298913.db2.gz OQITYBUNFOYITP-ZYHUDNBSSA-N 1 0 248.374 2.104 10 0 BEAERO COCC[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000220932317 134314767 /nfs/dbraw/zinc/31/47/67/134314767.db2.gz YJZBCRREMBCXNZ-WCBMZHEXSA-N 1 0 212.293 2.059 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCc2ccccn2)o1 ZINC000220882173 134316682 /nfs/dbraw/zinc/31/66/82/134316682.db2.gz UCWQLEZTQKMVLC-LLVKDONJSA-N 1 0 231.299 2.271 10 0 BEAERO Cc1ncccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179732928 134320710 /nfs/dbraw/zinc/32/07/10/134320710.db2.gz ODRLAUNKJPVYSR-UHFFFAOYSA-N 1 0 245.370 2.060 10 0 BEAERO c1cnn(CC2CC[NH+](C3CCC3)CC2)c1 ZINC000179572478 134322230 /nfs/dbraw/zinc/32/22/30/134322230.db2.gz GFPVCHGJUHQZKL-UHFFFAOYSA-N 1 0 219.332 2.148 10 0 BEAERO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180488170 134329038 /nfs/dbraw/zinc/32/90/38/134329038.db2.gz NQVXTIRIECMQPS-MJBXVCDLSA-N 1 0 242.407 2.121 10 0 BEAERO Cc1csc2c1ncnc2NC[C@H](C)C[NH3+] ZINC000222400299 134331971 /nfs/dbraw/zinc/33/19/71/134331971.db2.gz ADVATVRSXROWFD-SSDOTTSWSA-N 1 0 236.344 2.006 10 0 BEAERO C[C@H](N[C@H]1CC[C@@H]([NH+](C)C)C1)c1cncs1 ZINC000222743992 134334216 /nfs/dbraw/zinc/33/42/16/134334216.db2.gz URXAHBONSDMDCU-GARJFASQSA-N 1 0 239.388 2.276 10 0 BEAERO CC(C)n1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cn1 ZINC000226240980 134361924 /nfs/dbraw/zinc/36/19/24/134361924.db2.gz CSYMIXWSBXVSHQ-YPMHNXCESA-N 1 0 237.347 2.121 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000226239796 134362246 /nfs/dbraw/zinc/36/22/46/134362246.db2.gz LVCAEQMGORRQRM-RNJOBUHISA-N 1 0 211.349 2.268 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCCS2)[C@@H]2CCO[C@H]21 ZINC000226948956 134371009 /nfs/dbraw/zinc/37/10/09/134371009.db2.gz ADFXFZUBXMBRGZ-NNYUYHANSA-N 1 0 241.400 2.285 10 0 BEAERO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000185589714 134382147 /nfs/dbraw/zinc/38/21/47/134382147.db2.gz QSLUOQLRIRVVCQ-JQWIXIFHSA-N 1 0 248.374 2.313 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000227571241 134383130 /nfs/dbraw/zinc/38/31/30/134383130.db2.gz OLPWKADBFBHECJ-SNVBAGLBSA-N 1 0 241.281 2.169 10 0 BEAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227567638 134383455 /nfs/dbraw/zinc/38/34/55/134383455.db2.gz MEPMHPOFVWMHER-STQMWFEESA-N 1 0 219.328 2.452 10 0 BEAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CCCC1 ZINC000227461326 134384081 /nfs/dbraw/zinc/38/40/81/134384081.db2.gz QQPMAXMUTZDBBA-NQBHXWOUSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](O)CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000227572600 134384294 /nfs/dbraw/zinc/38/42/94/134384294.db2.gz QCNPTNIGCZPCDU-GWCFXTLKSA-N 1 0 235.327 2.130 10 0 BEAERO CCOc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000227576126 134386114 /nfs/dbraw/zinc/38/61/14/134386114.db2.gz LXXNVACONHNXPK-CQSZACIVSA-N 1 0 249.354 2.290 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000227907278 134399028 /nfs/dbraw/zinc/39/90/28/134399028.db2.gz BQKYVUPLDRYBSD-MELADBBJSA-N 1 0 243.391 2.284 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)[C@H]1CCCO1 ZINC000188631200 134532061 /nfs/dbraw/zinc/53/20/61/134532061.db2.gz KPRVCDIZGDDMQL-IACUBPJLSA-N 1 0 241.375 2.085 10 0 BEAERO CCCO[C@@H]1CC[C@@H](C(F)(F)F)C[C@H]1[NH3+] ZINC000238850996 134850133 /nfs/dbraw/zinc/85/01/33/134850133.db2.gz DPMIUWYTUBBRNQ-IWSPIJDZSA-N 1 0 225.254 2.471 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000248640253 135017314 /nfs/dbraw/zinc/01/73/14/135017314.db2.gz BQKYVUPLDRYBSD-BFHYXJOUSA-N 1 0 243.391 2.284 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@H](C)[C@H](C)CC ZINC000248650196 135018692 /nfs/dbraw/zinc/01/86/92/135018692.db2.gz LSVNFLHKTBAHMA-JHJVBQTASA-N 1 0 231.380 2.188 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cnccn1 ZINC000248701253 135019155 /nfs/dbraw/zinc/01/91/55/135019155.db2.gz AGSINXZJKBTWFM-ZKYQVNSYSA-N 1 0 247.342 2.085 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)CC1CCCC1 ZINC000249073809 135031923 /nfs/dbraw/zinc/03/19/23/135031923.db2.gz LJBNTCRSOSAWHN-SCRDCRAPSA-N 1 0 241.375 2.037 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H](O)C2CCCCC2)CCS1 ZINC000249155365 135034560 /nfs/dbraw/zinc/03/45/60/135034560.db2.gz YMTPEICVMZBCRA-DGCLKSJQSA-N 1 0 243.416 2.365 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)CN2CCCC2=O)C1 ZINC000251475818 135069928 /nfs/dbraw/zinc/06/99/28/135069928.db2.gz BWFAZEYOXZEDDX-UPJWGTAASA-N 1 0 238.375 2.166 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000251683243 135073269 /nfs/dbraw/zinc/07/32/69/135073269.db2.gz PKZKULUKLBDYCT-UPJWGTAASA-N 1 0 222.376 2.391 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cn2ccnc2)C1 ZINC000251711528 135074320 /nfs/dbraw/zinc/07/43/20/135074320.db2.gz RIMSHCFHCJAUAK-JHJVBQTASA-N 1 0 221.348 2.440 10 0 BEAERO CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000251724181 135075471 /nfs/dbraw/zinc/07/54/71/135075471.db2.gz FBWPUXYMOZROQF-FIQHERPVSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CC1CCC1 ZINC000252519976 135092605 /nfs/dbraw/zinc/09/26/05/135092605.db2.gz ASGNGTXMRFXJSZ-OCCSQVGLSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@H](CC1CC1)[NH2+][C@H]1CCCC[C@H]1CO ZINC000252713798 135100311 /nfs/dbraw/zinc/10/03/11/135100311.db2.gz QFLONRVMGKDWJY-WXHSDQCUSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)C1CC1 ZINC000252714619 135101219 /nfs/dbraw/zinc/10/12/19/135101219.db2.gz SLEYBCITYXIAID-AVGNSLFASA-N 1 0 211.349 2.316 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000252727484 135102113 /nfs/dbraw/zinc/10/21/13/135102113.db2.gz GLDSCMYJYQBWQM-OPDFLTKYSA-N 1 0 222.376 2.390 10 0 BEAERO CSc1ccc([C@@H](C)[NH2+]C2COC2)cc1 ZINC000087194763 135110934 /nfs/dbraw/zinc/11/09/34/135110934.db2.gz YKSBMNGWJQRALT-SECBINFHSA-N 1 0 223.341 2.458 10 0 BEAERO CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253095684 135121451 /nfs/dbraw/zinc/12/14/51/135121451.db2.gz PLOJKKANARBPFS-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO CSCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253094227 135121498 /nfs/dbraw/zinc/12/14/98/135121498.db2.gz NGGXQHWCJZPCST-JHJVBQTASA-N 1 0 243.416 2.365 10 0 BEAERO CCCc1nsc(N[C@@H](C)CCC[NH3+])n1 ZINC000087362311 135126560 /nfs/dbraw/zinc/12/65/60/135126560.db2.gz LQJWDVFXFZTMGU-QMMMGPOBSA-N 1 0 228.365 2.030 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ncc(Cl)cc1F ZINC000087362314 135126728 /nfs/dbraw/zinc/12/67/28/135126728.db2.gz OJPBAVUENLTDAQ-SSDOTTSWSA-N 1 0 231.702 2.413 10 0 BEAERO CC[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000253549575 135127456 /nfs/dbraw/zinc/12/74/56/135127456.db2.gz TUSURIYFFDMRBX-XQQFMLRXSA-N 1 0 238.375 2.118 10 0 BEAERO CC1(C)CN(Cc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000258643297 135132566 /nfs/dbraw/zinc/13/25/66/135132566.db2.gz DBFIAQYOCSFKNZ-ZDUSSCGKSA-N 1 0 236.334 2.385 10 0 BEAERO CC1(C)CN(C(=O)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000259115076 135137000 /nfs/dbraw/zinc/13/70/00/135137000.db2.gz KYAUJABUXPQQOZ-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](C[NH3+])Nc1ccnc2c(F)cccc12 ZINC000257753074 135141554 /nfs/dbraw/zinc/14/15/54/135141554.db2.gz LHGBRGRPYNVFRU-MRVPVSSYSA-N 1 0 219.263 2.133 10 0 BEAERO Cc1ccccc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259272013 135142534 /nfs/dbraw/zinc/14/25/34/135142534.db2.gz USIMIBHFXZECJZ-ZDUSSCGKSA-N 1 0 246.354 2.194 10 0 BEAERO C[C@H]1C[NH2+]CCN1C[C@H]1CCCC(F)(F)C1 ZINC000261533090 135163869 /nfs/dbraw/zinc/16/38/69/135163869.db2.gz MCVXOAYSZMDWRJ-QWRGUYRKSA-N 1 0 232.318 2.106 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1cccc(C)n1 ZINC000087780209 135168512 /nfs/dbraw/zinc/16/85/12/135168512.db2.gz NVUQBSYTUKEHBC-NSHDSACASA-N 1 0 207.321 2.319 10 0 BEAERO C[C@H](CC(=O)N[C@H]1CC[NH2+][C@H](C)C1)C(C)(C)C ZINC000261539883 135178576 /nfs/dbraw/zinc/17/85/76/135178576.db2.gz CCJGEFZLZPBYCE-UTUOFQBUSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@@H](c1ccccn1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261542716 135183401 /nfs/dbraw/zinc/18/34/01/135183401.db2.gz CJTHWMPULDOHPD-AAEUAGOBSA-N 1 0 233.359 2.202 10 0 BEAERO COc1ccc(CN2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261549367 135188703 /nfs/dbraw/zinc/18/87/03/135188703.db2.gz HVVBEFPZPBVKJE-JSGCOSHPSA-N 1 0 248.370 2.254 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261554876 135194765 /nfs/dbraw/zinc/19/47/65/135194765.db2.gz PGICCSZHWSDYDD-OBJOEFQTSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H](CC(=O)N1CC[C@](C)(C[NH3+])C1)C(C)(C)C ZINC000261560144 135200980 /nfs/dbraw/zinc/20/09/80/135200980.db2.gz UFRZIVHVSNIBMT-SMDDNHRTSA-N 1 0 240.391 2.256 10 0 BEAERO C[C@@H](CC(=O)N1CC[C@@](C)(C[NH3+])C1)C(C)(C)C ZINC000261560142 135201271 /nfs/dbraw/zinc/20/12/71/135201271.db2.gz UFRZIVHVSNIBMT-FZMZJTMJSA-N 1 0 240.391 2.256 10 0 BEAERO CCC[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261565741 135207828 /nfs/dbraw/zinc/20/78/28/135207828.db2.gz DEERDLRTARYVSP-GHMZBOCLSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H](c1cccnc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567047 135209671 /nfs/dbraw/zinc/20/96/71/135209671.db2.gz ZLBSUPRUOSSGTN-WCQYABFASA-N 1 0 233.359 2.202 10 0 BEAERO CCSCCC[NH2+]CC1CCOCC1 ZINC000164018463 135213001 /nfs/dbraw/zinc/21/30/01/135213001.db2.gz ONVUHZIBPOCNTM-UHFFFAOYSA-N 1 0 217.378 2.146 10 0 BEAERO CCC(C)(C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261572391 135214112 /nfs/dbraw/zinc/21/41/12/135214112.db2.gz ICHVWGCXEPOOKJ-JTQLQIEISA-N 1 0 226.364 2.008 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[C@H](C)[NH3+])cc1C ZINC000261699759 135247098 /nfs/dbraw/zinc/24/70/98/135247098.db2.gz CPGLRTHHWFFEAI-RYUDHWBXSA-N 1 0 234.343 2.218 10 0 BEAERO Nc1cccc2c1CCCN2C[C@H]1CCC[NH2+]C1 ZINC000261767662 135251495 /nfs/dbraw/zinc/25/14/95/135251495.db2.gz MBOLIBXMCXRGCS-LBPRGKRZSA-N 1 0 245.370 2.021 10 0 BEAERO Nc1cccc2c1CCCN2C[C@@H]1CCC[NH2+]C1 ZINC000261767657 135251852 /nfs/dbraw/zinc/25/18/52/135251852.db2.gz MBOLIBXMCXRGCS-GFCCVEGCSA-N 1 0 245.370 2.021 10 0 BEAERO CC[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C(C)(C)C ZINC000261866029 135258502 /nfs/dbraw/zinc/25/85/02/135258502.db2.gz XKFDNNJBZACRFM-TUAOUCFPSA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1nc2ccccc2n1C ZINC000079048585 135268105 /nfs/dbraw/zinc/26/81/05/135268105.db2.gz DFKBSKNPWMJVQX-NSHDSACASA-N 1 0 246.358 2.359 10 0 BEAERO C[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)C(C)(C)C ZINC000262039137 135275012 /nfs/dbraw/zinc/27/50/12/135275012.db2.gz QAZLYKMGWNOMDI-QWRGUYRKSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)CCC[C@@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164436452 135287846 /nfs/dbraw/zinc/28/78/46/135287846.db2.gz CXYPWBUXHLVWBC-VXGBXAGGSA-N 1 0 240.391 2.173 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H](C)C2C[NH2+]C2)cc1C ZINC000262294675 135291179 /nfs/dbraw/zinc/29/11/79/135291179.db2.gz ZBBJMQOSKOVDNF-LBPRGKRZSA-N 1 0 246.354 2.122 10 0 BEAERO CCCCC1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000263280782 135344238 /nfs/dbraw/zinc/34/42/38/135344238.db2.gz JOBLMDWJDLQNPR-UHFFFAOYSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1 ZINC000334745765 135402962 /nfs/dbraw/zinc/40/29/62/135402962.db2.gz KWGDFNNDVKFPDG-TZMCWYRMSA-N 1 0 219.328 2.198 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000335676976 135421906 /nfs/dbraw/zinc/42/19/06/135421906.db2.gz AFGGHWGVULJDSB-MVKMKZAISA-N 1 0 238.375 2.069 10 0 BEAERO CC1CCC([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000084224279 135467908 /nfs/dbraw/zinc/46/79/08/135467908.db2.gz WILMOYXGSMYGRW-POOIEITISA-N 1 0 211.349 2.316 10 0 BEAERO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085358032 135482744 /nfs/dbraw/zinc/48/27/44/135482744.db2.gz PTCSEWDBWUDDMS-KBPBESRZSA-N 1 0 246.354 2.163 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089451019 135536043 /nfs/dbraw/zinc/53/60/43/135536043.db2.gz CMJJXNSORNDDOW-JHJVBQTASA-N 1 0 238.375 2.010 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCC1CCCC1 ZINC000089454469 135536063 /nfs/dbraw/zinc/53/60/63/135536063.db2.gz WLUVSGWVUUWHBN-CHWSQXEVSA-N 1 0 238.375 2.058 10 0 BEAERO Cc1ccc2oc(N3CC[C@@H]([NH3+])[C@H](C)C3)nc2c1 ZINC000335294156 136005718 /nfs/dbraw/zinc/00/57/18/136005718.db2.gz AJUXJSGWRLLKGW-GHMZBOCLSA-N 1 0 245.326 2.310 10 0 BEAERO C[N@H+](C[C@@H]1CC=CCC1)[C@@H]1CCC[C@@H]1O ZINC000348545387 136096314 /nfs/dbraw/zinc/09/63/14/136096314.db2.gz CMSNUXTYYUNBLY-UPJWGTAASA-N 1 0 209.333 2.188 10 0 BEAERO COC[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000045657348 322844273 /nfs/dbraw/zinc/84/42/73/322844273.db2.gz AQRSJSQVCDYMLN-ZWNOBZJWSA-N 1 0 235.327 2.252 10 0 BEAERO COC[C@H](C)C[NH2+][C@@H](C)CC(C)(C)OC ZINC000045656837 322844312 /nfs/dbraw/zinc/84/43/12/322844312.db2.gz CDUPLJRCFQFYFC-MNOVXSKESA-N 1 0 217.353 2.062 10 0 BEAERO CC(C)CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000062098613 1172738170 /nfs/dbraw/zinc/73/81/70/1172738170.db2.gz ZMFLQLQLINMZTP-RYUDHWBXSA-N 1 0 226.364 2.056 10 0 BEAERO C(c1nc(C2CCCC2)no1)[C@H]1CCC[NH2+]C1 ZINC000054301483 322855962 /nfs/dbraw/zinc/85/59/62/322855962.db2.gz LOYAULRPPMPMGA-SNVBAGLBSA-N 1 0 235.331 2.269 10 0 BEAERO C[NH+](C)[C@@H]1CC[C@H](Nc2cncc(Cl)n2)C1 ZINC000301944417 397792530 /nfs/dbraw/zinc/79/25/30/397792530.db2.gz YWWPKTFISPCLFR-DTWKUNHWSA-N 1 0 240.738 2.025 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC(C)(C)C1 ZINC000378771591 397830554 /nfs/dbraw/zinc/83/05/54/397830554.db2.gz FZWCIGCTAREJGN-WRWGMCAJSA-N 1 0 211.349 2.314 10 0 BEAERO CSCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000178871442 397850831 /nfs/dbraw/zinc/85/08/31/397850831.db2.gz XBJJQJDDBUUVJN-LLVKDONJSA-N 1 0 225.361 2.300 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](N=c2[nH]c3ccccc3s2)C1 ZINC000382415275 397947980 /nfs/dbraw/zinc/94/79/80/397947980.db2.gz HCDINXZPOQWKOL-ZJUUUORDSA-N 1 0 247.367 2.400 10 0 BEAERO CC1(C)CC[C@H](C[N@@H+]2CCCC[C@H](CO)C2)O1 ZINC000364316035 397892886 /nfs/dbraw/zinc/89/28/86/397892886.db2.gz QYXXXYZTLMALFT-QWHCGFSZSA-N 1 0 241.375 2.038 10 0 BEAERO CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@@H](CO)C2)O1 ZINC000364316034 397892989 /nfs/dbraw/zinc/89/29/89/397892989.db2.gz QYXXXYZTLMALFT-OLZOCXBDSA-N 1 0 241.375 2.038 10 0 BEAERO NNc1ccc(-c2cccc(Cl)c2)n[nH+]1 ZINC000039632725 397926571 /nfs/dbraw/zinc/92/65/71/397926571.db2.gz ZSLZEMNLILRXLF-UHFFFAOYSA-N 1 0 220.663 2.083 10 0 BEAERO OCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000382248465 397926626 /nfs/dbraw/zinc/92/66/26/397926626.db2.gz UNUZRUPEARPTQT-ZWKOPEQDSA-N 1 0 221.300 2.050 10 0 BEAERO CO[C@@H](C[NH3+])c1ccsc1Br ZINC000575592248 397990920 /nfs/dbraw/zinc/99/09/20/397990920.db2.gz PHWNLPRWCYXTHG-LURJTMIESA-N 1 0 236.134 2.157 10 0 BEAERO CC[C@@H]1CCC[C@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000388785871 398000803 /nfs/dbraw/zinc/00/08/03/398000803.db2.gz IOSVNFTXENRMRO-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@H]1CCC[C@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000388785868 398000807 /nfs/dbraw/zinc/00/08/07/398000807.db2.gz IOSVNFTXENRMRO-GRYCIOLGSA-N 1 0 226.364 2.055 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](c2occc2Br)O1 ZINC000307185397 398015481 /nfs/dbraw/zinc/01/54/81/398015481.db2.gz IFXWLZBETVWZGS-SVRRBLITSA-N 1 0 246.104 2.221 10 0 BEAERO Cc1cc(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])sn1 ZINC000307118192 397980316 /nfs/dbraw/zinc/98/03/16/397980316.db2.gz WJYLAQLRCLYEME-RKDXNWHRSA-N 1 0 224.329 2.009 10 0 BEAERO [NH3+][C@H](c1cscn1)[C@@H]1CCCCS1 ZINC000307127187 397983978 /nfs/dbraw/zinc/98/39/78/397983978.db2.gz IRHOFRDXSZGBEX-DTWKUNHWSA-N 1 0 214.359 2.429 10 0 BEAERO [NH3+][C@@H](c1cscn1)[C@@H]1CCCCS1 ZINC000307127194 397984052 /nfs/dbraw/zinc/98/40/52/397984052.db2.gz IRHOFRDXSZGBEX-IUCAKERBSA-N 1 0 214.359 2.429 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2ccc(Br)cc2)C1 ZINC000575466051 397987725 /nfs/dbraw/zinc/98/77/25/397987725.db2.gz YYIGKTXEHHLNOZ-VHSXEESVSA-N 1 0 242.116 2.238 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C/C=C/c2ccccc2)C1 ZINC000334747703 398066046 /nfs/dbraw/zinc/06/60/46/398066046.db2.gz VNYDPVWMHNWRRQ-IEOKHJKGSA-N 1 0 231.339 2.403 10 0 BEAERO C[C@@H]1C[C@H](N(C)C(=O)C2CCCC2)CC[N@@H+]1C ZINC000123694123 398094472 /nfs/dbraw/zinc/09/44/72/398094472.db2.gz GJZOCIPZHDGIPC-DGCLKSJQSA-N 1 0 238.375 2.118 10 0 BEAERO F[C@@H](CN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000409422829 398084737 /nfs/dbraw/zinc/08/47/37/398084737.db2.gz JFNMCYLKNLBVGA-LBPRGKRZSA-N 1 0 242.725 2.256 10 0 BEAERO COC(=O)CCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404760 398090383 /nfs/dbraw/zinc/09/03/83/398090383.db2.gz LGXCJMXCZJIMIZ-LLVKDONJSA-N 1 0 237.299 2.370 10 0 BEAERO Cc1ccc([C@@H](C)NCc2ccno2)o1 ZINC000219402500 398091930 /nfs/dbraw/zinc/09/19/30/398091930.db2.gz GBKIMSUZORCTOE-SECBINFHSA-N 1 0 206.245 2.427 10 0 BEAERO CCSCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000128953610 398098950 /nfs/dbraw/zinc/09/89/50/398098950.db2.gz ODDFTYHBFYAHJD-UHFFFAOYSA-N 1 0 239.340 2.258 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)CC(C)C ZINC000037807304 171392760 /nfs/dbraw/zinc/39/27/60/171392760.db2.gz ZAPSZWBQNQPBHC-SRVKXCTJSA-N 1 0 228.380 2.253 10 0 BEAERO C[C@H](CCC1CC1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000398137595 322865369 /nfs/dbraw/zinc/86/53/69/322865369.db2.gz NBMDRJFHXLEQFN-NTZNESFSSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000309637117 167107931 /nfs/dbraw/zinc/10/79/31/167107931.db2.gz SYNKHLGBIOLEFL-KBPBESRZSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCN1c1nccs1 ZINC000053694032 167114823 /nfs/dbraw/zinc/11/48/23/167114823.db2.gz AQHFWJSAGJCWFE-SNVBAGLBSA-N 1 0 225.361 2.110 10 0 BEAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037446530 167142574 /nfs/dbraw/zinc/14/25/74/167142574.db2.gz WLSMCFPUBGNTCR-LBPRGKRZSA-N 1 0 240.734 2.039 10 0 BEAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000149660652 487561042 /nfs/dbraw/zinc/56/10/42/487561042.db2.gz ZUZDMAPRELCLBC-DRZSPHRISA-N 1 0 238.375 2.056 10 0 BEAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000086907922 487584786 /nfs/dbraw/zinc/58/47/86/487584786.db2.gz XWETXAQKBJCJCV-NWDGAFQWSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H](C[NH3+])CNc1ccc2ccccc2n1 ZINC000083387625 487588320 /nfs/dbraw/zinc/58/83/20/487588320.db2.gz PHNJJMWSBFFMRU-JTQLQIEISA-N 1 0 215.300 2.242 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000304325741 487589360 /nfs/dbraw/zinc/58/93/60/487589360.db2.gz SUWDSRNNHVDQJJ-LBPRGKRZSA-N 1 0 223.364 2.463 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000054080359 487597324 /nfs/dbraw/zinc/59/73/24/487597324.db2.gz KPMYVVMRCIJKHQ-DRZSPHRISA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)Oc1ccc([C@H](O)[C@H]([NH3+])C(C)C)cc1 ZINC000071548328 167300998 /nfs/dbraw/zinc/30/09/98/167300998.db2.gz LSYZRLRSKVCHNK-KGLIPLIRSA-N 1 0 237.343 2.491 10 0 BEAERO COc1ccc2c(c1)CN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000058012250 487600763 /nfs/dbraw/zinc/60/07/63/487600763.db2.gz BGKIZORCACFHIB-GFCCVEGCSA-N 1 0 246.354 2.010 10 0 BEAERO CC(C)C1(C[NH+]2CCN3CCC[C@@H]3C2)CC1 ZINC000232547620 487604894 /nfs/dbraw/zinc/60/48/94/487604894.db2.gz HFMLJOMUEUCRRP-CYBMUJFWSA-N 1 0 222.376 2.203 10 0 BEAERO CC(C)SCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000369503234 167326720 /nfs/dbraw/zinc/32/67/20/167326720.db2.gz JORAUTCGMMKPJB-ZDUSSCGKSA-N 1 0 242.432 2.298 10 0 BEAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000662340117 409651571 /nfs/dbraw/zinc/65/15/71/409651571.db2.gz UOWCVZWMHCRCLW-KBPBESRZSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](CCCC2CCC2)C1 ZINC000660758934 409723031 /nfs/dbraw/zinc/72/30/31/409723031.db2.gz XKUCVLJVLBBQCS-AAEUAGOBSA-N 1 0 211.349 2.269 10 0 BEAERO CCC[C@H](C)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000053486351 487611234 /nfs/dbraw/zinc/61/12/34/487611234.db2.gz YLHSIIRRISDYRI-RFQIPJPRSA-N 1 0 242.407 2.262 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCOc1ccccc1 ZINC000296317894 410008748 /nfs/dbraw/zinc/00/87/48/410008748.db2.gz QECZYDDDTCOZSU-DZGCQCFKSA-N 1 0 249.354 2.301 10 0 BEAERO CCOc1ccccc1[C@@H]1C[NH2+]C[C@@H]1CF ZINC000409422705 409995776 /nfs/dbraw/zinc/99/57/76/409995776.db2.gz JWLCAAGRENMMDA-CMPLNLGQSA-N 1 0 223.291 2.358 10 0 BEAERO C1CC1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CO1 ZINC000668277378 487613140 /nfs/dbraw/zinc/61/31/40/487613140.db2.gz GEDIJFFXCLITPT-MBJXGIAVSA-N 1 0 221.344 2.332 10 0 BEAERO Brc1cc([C@@H]2CCC[NH2+]2)co1 ZINC000083299390 166095768 /nfs/dbraw/zinc/09/57/68/166095768.db2.gz NKOKWHWRXRATFG-ZETCQYMHSA-N 1 0 216.078 2.467 10 0 BEAERO Brc1cc([C@@H]2CCC[NH2+]C2)ccn1 ZINC000095828450 166096025 /nfs/dbraw/zinc/09/60/25/166096025.db2.gz WQSFPGUZWJARHM-SECBINFHSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccc(C[C@@H]2CCC[NH2+]2)nc1 ZINC000096893745 166097354 /nfs/dbraw/zinc/09/73/54/166097354.db2.gz JFGVCLQROCTWQQ-VIFPVBQESA-N 1 0 241.132 2.139 10 0 BEAERO Brc1ccc([C@H]2CCC[NH2+]C2)cn1 ZINC000095827092 166099017 /nfs/dbraw/zinc/09/90/17/166099017.db2.gz MUFMSXWQFMBZST-QMMMGPOBSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1cccc(N[C@H]2CC[NH2+]C2)c1 ZINC000084193091 166101147 /nfs/dbraw/zinc/10/11/47/166101147.db2.gz XIWRQCZKFYOREP-JTQLQIEISA-N 1 0 241.132 2.223 10 0 BEAERO CC(C)C[N@H+](CCC(=O)NC(C)C)C1CC1 ZINC000046512281 410178550 /nfs/dbraw/zinc/17/85/50/410178550.db2.gz DEBZGCPJBHJPQS-UHFFFAOYSA-N 1 0 226.364 2.022 10 0 BEAERO Brc1cncc([C@@H]2CCC[NH2+]C2)c1 ZINC000095828407 166105835 /nfs/dbraw/zinc/10/58/35/166105835.db2.gz ZSWMVYCQDGVDMY-MRVPVSSYSA-N 1 0 241.132 2.311 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)CC1 ZINC000126487882 410323332 /nfs/dbraw/zinc/32/33/32/410323332.db2.gz BTGIOPAVELPKFX-QWHCGFSZSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@@H]1CN(c2ncccc2Cl)CC[C@@H]1[NH3+] ZINC000122938029 410296036 /nfs/dbraw/zinc/29/60/36/410296036.db2.gz KQYORYDXLUAWAQ-KOLCDFICSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CC[C@@H]1C ZINC000129820955 410385262 /nfs/dbraw/zinc/38/52/62/410385262.db2.gz HPIANNWRFYSCKP-ZSVAQUKISA-N 1 0 238.375 2.008 10 0 BEAERO C(=CC12CCC[NH+]1CCC2)c1c[nH]cn1 ZINC000038416799 166226024 /nfs/dbraw/zinc/22/60/24/166226024.db2.gz XEVFIXRQHWVYHH-ZZXKWVIFSA-N 1 0 203.289 2.051 10 0 BEAERO CCN(CC)C(=O)[C@H](C)[NH2+]CCCC(C)C ZINC000037984514 169757961 /nfs/dbraw/zinc/75/79/61/169757961.db2.gz NTSLMJPFFMMYGW-LBPRGKRZSA-N 1 0 228.380 2.269 10 0 BEAERO CC(C)(C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000002015398 166632173 /nfs/dbraw/zinc/63/21/73/166632173.db2.gz PATCYMQKYNUQBA-ZDUSSCGKSA-N 1 0 221.344 2.368 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000655484609 410755590 /nfs/dbraw/zinc/75/55/90/410755590.db2.gz XVWZXANHUWDGEI-MFKMUULPSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@H](C)[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000394461755 410797670 /nfs/dbraw/zinc/79/76/70/410797670.db2.gz VTYIZALLFPSHKM-SDDRHHMPSA-N 1 0 231.380 2.044 10 0 BEAERO C[NH2+][C@@H]1CCCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000394512561 410804974 /nfs/dbraw/zinc/80/49/74/410804974.db2.gz OXTMPAMNCWSEQY-NWDGAFQWSA-N 1 0 246.345 2.496 10 0 BEAERO CC(C)CN(C(=O)C[C@H]1CCCC[NH2+]1)C(C)C ZINC000042592523 166924363 /nfs/dbraw/zinc/92/43/63/166924363.db2.gz GGKASPYQAGIAIE-CYBMUJFWSA-N 1 0 240.391 2.412 10 0 BEAERO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000651198455 410857087 /nfs/dbraw/zinc/85/70/87/410857087.db2.gz NTTCTQKLZMVWGM-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)CN(CCC(N)=[NH2+])c1ccccc1 ZINC000019504151 166952268 /nfs/dbraw/zinc/95/22/68/166952268.db2.gz RKPWGWZLQDWZHL-UHFFFAOYSA-N 1 0 219.332 2.475 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCN[C@H]1C ZINC000396591936 410889958 /nfs/dbraw/zinc/88/99/58/410889958.db2.gz UBXOCDAEGVRDNI-MBNYWOFBSA-N 1 0 236.359 2.331 10 0 BEAERO CC(C)C[NH2+]CCCOCc1ccco1 ZINC000020146986 167002340 /nfs/dbraw/zinc/00/23/40/167002340.db2.gz GJXPOBJAFWKXTB-UHFFFAOYSA-N 1 0 211.305 2.432 10 0 BEAERO CC(C)[C@H]([NH2+][C@H]1CCCN[C@@H]1C)C1CC1 ZINC000396654769 410894403 /nfs/dbraw/zinc/89/44/03/410894403.db2.gz FNPKIMXVFVSYEY-WXHSDQCUSA-N 1 0 210.365 2.151 10 0 BEAERO CC[NH+](CC)CCNC(=O)NC(C)(CC)CC ZINC000120991403 169778653 /nfs/dbraw/zinc/77/86/53/169778653.db2.gz CRFQEVQBCNGDPE-UHFFFAOYSA-N 1 0 243.395 2.206 10 0 BEAERO CC(C)C[NH2+]Cc1ccnc(-c2ccco2)n1 ZINC000054792450 167009865 /nfs/dbraw/zinc/00/98/65/167009865.db2.gz BGORAGWYGTYCMP-UHFFFAOYSA-N 1 0 231.299 2.482 10 0 BEAERO CC(C)C[NH2+]Cc1csc(N2CCCC2)n1 ZINC000070681752 167010818 /nfs/dbraw/zinc/01/08/18/167010818.db2.gz ZZPIQGQJRNCXPM-UHFFFAOYSA-N 1 0 239.388 2.489 10 0 BEAERO CC(C)C[NH2+][C@@H]1CCC[C@@H]1n1ccnc1 ZINC000037106648 167011509 /nfs/dbraw/zinc/01/15/09/167011509.db2.gz UWKYPMBVWIMYBR-NEPJUHHUSA-N 1 0 207.321 2.222 10 0 BEAERO CC(C)C[NH2+][C@@H]1CCCN(CC(C)C)C1 ZINC000073652418 167012562 /nfs/dbraw/zinc/01/25/62/167012562.db2.gz WBCCGIXDLKVBPA-CYBMUJFWSA-N 1 0 212.381 2.352 10 0 BEAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1 ZINC000037946163 167014039 /nfs/dbraw/zinc/01/40/39/167014039.db2.gz BYBAOVDTVCIGGY-NSHDSACASA-N 1 0 240.734 2.112 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000309671628 167029025 /nfs/dbraw/zinc/02/90/25/167029025.db2.gz KAHLJCRYRDGSKN-AGIUHOORSA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)N1C[C@H](C)[NH2+]Cc2ccccc21 ZINC000062569229 167032775 /nfs/dbraw/zinc/03/27/75/167032775.db2.gz GXWWSOKQBIPKSB-NSHDSACASA-N 1 0 204.317 2.393 10 0 BEAERO CC(C)N1c2ccc(F)cc2[C@@H]2C[NH2+]CC[C@@H]21 ZINC000096251724 167034776 /nfs/dbraw/zinc/03/47/76/167034776.db2.gz MPOKIGVQDVWZCS-JSGCOSHPSA-N 1 0 234.318 2.500 10 0 BEAERO CC(C)NC(=[NH2+])N1CC[C@@H](c2ccccc2)C1 ZINC000052040314 167035675 /nfs/dbraw/zinc/03/56/75/167035675.db2.gz BOGIRRRRZYZRHV-CYBMUJFWSA-N 1 0 231.343 2.409 10 0 BEAERO CC(C)[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000037386008 167097096 /nfs/dbraw/zinc/09/70/96/167097096.db2.gz RRSDFYOEJKXYSG-UHFFFAOYSA-N 1 0 244.697 2.416 10 0 BEAERO CC(C)[NH2+]CC1(O[C@H]2CCOC2)CCCCC1 ZINC000104120521 167098930 /nfs/dbraw/zinc/09/89/30/167098930.db2.gz SPEJMTJEBVQIBC-ZDUSSCGKSA-N 1 0 241.375 2.493 10 0 BEAERO CC(C)[NH2+]CC1(c2ccc3c(c2)OCCO3)CC1 ZINC000053739751 167099643 /nfs/dbraw/zinc/09/96/43/167099643.db2.gz SWKBNEJVIIJLNU-UHFFFAOYSA-N 1 0 247.338 2.487 10 0 BEAERO CC(C)[NH2+]CCN(C)CCc1cccs1 ZINC000082602419 167101471 /nfs/dbraw/zinc/10/14/71/167101471.db2.gz XDDNTLJPHHCBPA-UHFFFAOYSA-N 1 0 226.389 2.220 10 0 BEAERO CC(C)[NH2+]CCCc1nnc(-c2ccco2)o1 ZINC000050617554 167103091 /nfs/dbraw/zinc/10/30/91/167103091.db2.gz BRINQKYCIXTRKC-UHFFFAOYSA-N 1 0 235.287 2.260 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037477336 167104748 /nfs/dbraw/zinc/10/47/48/167104748.db2.gz GRAYTPDGPOMPSD-UONOGXRCSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1cccc(N(C)C)c1 ZINC000181269319 167104881 /nfs/dbraw/zinc/10/48/81/167104881.db2.gz DYTUQMNSXMIMLU-UHFFFAOYSA-N 1 0 249.402 2.182 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@H](c2ccccc2)C1 ZINC000050598806 167106295 /nfs/dbraw/zinc/10/62/95/167106295.db2.gz ZSSQTYXVCXLXFJ-HNNXBMFYSA-N 1 0 232.371 2.474 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@H](c2ccco2)C1 ZINC000375669759 167107130 /nfs/dbraw/zinc/10/71/30/167107130.db2.gz VGQMLHVQSQGRLP-LBPRGKRZSA-N 1 0 222.332 2.067 10 0 BEAERO CC(C)[NH2+]CC[C@H](C)N1C[C@H](C)OC(C)(C)C1 ZINC000052543650 167109181 /nfs/dbraw/zinc/10/91/81/167109181.db2.gz IWSZAHPDIYFPGK-STQMWFEESA-N 1 0 242.407 2.262 10 0 BEAERO CC(C)[NH2+]CCc1nncn1C1CCCCC1 ZINC000054526554 167109457 /nfs/dbraw/zinc/10/94/57/167109457.db2.gz PUAQSLJJWQTOEL-UHFFFAOYSA-N 1 0 236.363 2.324 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000032101435 167112135 /nfs/dbraw/zinc/11/21/35/167112135.db2.gz NPHCEXNMYYMJDL-LLVKDONJSA-N 1 0 243.734 2.078 10 0 BEAERO CC(C)[NH2+]C[C@@H]1C[C@]1(C)c1ccccn1 ZINC000054594995 167113742 /nfs/dbraw/zinc/11/37/42/167113742.db2.gz LGVUEEFLQHUWCH-AAEUAGOBSA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]C[C@H]1CC[C@@H](COC2CCCC2)O1 ZINC000052600885 167114486 /nfs/dbraw/zinc/11/44/86/167114486.db2.gz UKGMNEXMEFMBMH-KGLIPLIRSA-N 1 0 241.375 2.491 10 0 BEAERO CC(C)[NH2+]C[C@H]1CC[C@H](COC2CCCC2)O1 ZINC000052600882 167115088 /nfs/dbraw/zinc/11/50/88/167115088.db2.gz UKGMNEXMEFMBMH-ZIAGYGMSSA-N 1 0 241.375 2.491 10 0 BEAERO CC(C)[NH2+]Cc1cnc(-c2ccncc2)nc1 ZINC000054856103 167120269 /nfs/dbraw/zinc/12/02/69/167120269.db2.gz LXNLTCDVWPNGNH-UHFFFAOYSA-N 1 0 228.299 2.037 10 0 BEAERO CC(C)[NH2+]Cc1nc2c(cccc2F)[nH]1 ZINC000037474955 167120572 /nfs/dbraw/zinc/12/05/72/167120572.db2.gz NQWGSUCAZINKBT-UHFFFAOYSA-N 1 0 207.252 2.200 10 0 BEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000651295238 410905682 /nfs/dbraw/zinc/90/56/82/410905682.db2.gz NSRPTKBKIRSRCT-QWHCGFSZSA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)[NH2+]Cc1nccn1CCc1cccnc1 ZINC000063223722 167123046 /nfs/dbraw/zinc/12/30/46/167123046.db2.gz PLYNDEXIIULQDJ-UHFFFAOYSA-N 1 0 244.342 2.019 10 0 BEAERO CC[NH+](CC)CCNc1nc(Cl)ncc1C ZINC000082501430 169781961 /nfs/dbraw/zinc/78/19/61/169781961.db2.gz PYCGHJWODSTWOM-UHFFFAOYSA-N 1 0 242.754 2.192 10 0 BEAERO CC(C)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000125774394 167134687 /nfs/dbraw/zinc/13/46/87/167134687.db2.gz DUSNPKPAOYLQEO-SNVBAGLBSA-N 1 0 239.750 2.312 10 0 BEAERO CC(C)[NH2+][C@@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974244 167135019 /nfs/dbraw/zinc/13/50/19/167135019.db2.gz AOEMKSUXDQNSDR-BDJLRTHQSA-N 1 0 241.331 2.376 10 0 BEAERO CC(C)[NH2+][C@@H]1COc2c1ccc(F)c2F ZINC000062611321 167136759 /nfs/dbraw/zinc/13/67/59/167136759.db2.gz DWFYWWDKQFBWBH-SECBINFHSA-N 1 0 213.227 2.396 10 0 BEAERO CCN1CCO[C@@H](C[NH2+][C@H](C)C(C)(C)CC)C1 ZINC000651295237 410906778 /nfs/dbraw/zinc/90/67/78/410906778.db2.gz NSRPTKBKIRSRCT-OLZOCXBDSA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000309325366 167137400 /nfs/dbraw/zinc/13/74/00/167137400.db2.gz GHGIYWSRKXLPRI-OCCSQVGLSA-N 1 0 219.328 2.280 10 0 BEAERO CC(C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000035229478 167138449 /nfs/dbraw/zinc/13/84/49/167138449.db2.gz HHXDEBKOAGGNOR-SNVBAGLBSA-N 1 0 222.336 2.064 10 0 BEAERO CC(C)[NH2+][C@H](CCO)Cc1ccsc1 ZINC000095088368 167138602 /nfs/dbraw/zinc/13/86/02/167138602.db2.gz OTJDCSSEQQVJKF-LLVKDONJSA-N 1 0 213.346 2.040 10 0 BEAERO CC(C)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000038115732 167140704 /nfs/dbraw/zinc/14/07/04/167140704.db2.gz RBBLEUAKMZQCRY-LLVKDONJSA-N 1 0 213.708 2.371 10 0 BEAERO CC(C)[NH2+][C@](C)(CO)c1cc(F)ccc1F ZINC000038115530 167141637 /nfs/dbraw/zinc/14/16/37/167141637.db2.gz UDZJQTZQOAQYJZ-GFCCVEGCSA-N 1 0 229.270 2.170 10 0 BEAERO CC(C)[NH2+][C@](C)(CO)c1ccccc1F ZINC000038115620 167141792 /nfs/dbraw/zinc/14/17/92/167141792.db2.gz GVDMZXNUUPLKIZ-GFCCVEGCSA-N 1 0 211.280 2.031 10 0 BEAERO CC(C)[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000309325368 167142202 /nfs/dbraw/zinc/14/22/02/167142202.db2.gz GHGIYWSRKXLPRI-TZMCWYRMSA-N 1 0 219.328 2.280 10 0 BEAERO CC(C)Nc1nc2c(cc1C(N)=S)CCC2 ZINC000043408222 167148874 /nfs/dbraw/zinc/14/88/74/167148874.db2.gz RNAMPIUWXXPFCT-UHFFFAOYSA-N 1 0 235.356 2.025 10 0 BEAERO CC(C)OC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000033607656 167154290 /nfs/dbraw/zinc/15/42/90/167154290.db2.gz JAAXADBRAMYOQN-UHFFFAOYSA-N 1 0 247.338 2.259 10 0 BEAERO CC(C)C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000396981426 410908050 /nfs/dbraw/zinc/90/80/50/410908050.db2.gz UOXYWPJKRXJBLQ-STQMWFEESA-N 1 0 240.391 2.397 10 0 BEAERO CC[NH+](CC)CCn1c(C)cc(C=O)c1C ZINC000019482506 169784283 /nfs/dbraw/zinc/78/42/83/169784283.db2.gz UUYFXPDRZRRIHP-UHFFFAOYSA-N 1 0 222.332 2.259 10 0 BEAERO CC(C)Oc1cc2c(cc1O)CC[NH2+][C@H]2C ZINC000039110317 167287658 /nfs/dbraw/zinc/28/76/58/167287658.db2.gz XDXJQAUCFNGKME-VIFPVBQESA-N 1 0 221.300 2.386 10 0 BEAERO CC(C)Oc1ccc(-c2c[nH]c(CC[NH3+])n2)cc1 ZINC000036876300 167289145 /nfs/dbraw/zinc/28/91/45/167289145.db2.gz OECYHRHARMLZBP-UHFFFAOYSA-N 1 0 245.326 2.365 10 0 BEAERO CC(C)Oc1ccc(C(=O)CC[NH3+])cc1 ZINC000071510442 167290114 /nfs/dbraw/zinc/29/01/14/167290114.db2.gz PKANTLVJNCBCGF-UHFFFAOYSA-N 1 0 207.273 2.005 10 0 BEAERO CC(C)Oc1ccc(C(=O)[C@H](C)[NH3+])cc1 ZINC000071510444 167291150 /nfs/dbraw/zinc/29/11/50/167291150.db2.gz RJHQAGWGQNTALR-VIFPVBQESA-N 1 0 207.273 2.004 10 0 BEAERO CC(C)Oc1ccc(C[NH2+][C@H](C)CO)cc1F ZINC000098126655 167294309 /nfs/dbraw/zinc/29/43/09/167294309.db2.gz MEFOCOUPRRSILS-SNVBAGLBSA-N 1 0 241.306 2.083 10 0 BEAERO CC(C)Oc1ccc(OCCC[NH3+])cc1F ZINC000107288057 167296622 /nfs/dbraw/zinc/29/66/22/167296622.db2.gz HUNITPDEYMDINO-UHFFFAOYSA-N 1 0 227.279 2.341 10 0 BEAERO CC(C)Oc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)cc1 ZINC000071548326 167298742 /nfs/dbraw/zinc/29/87/42/167298742.db2.gz LSYZRLRSKVCHNK-ZIAGYGMSSA-N 1 0 237.343 2.491 10 0 BEAERO CC(C)Oc1ccc([C@@H]([NH3+])Cn2cccn2)cc1 ZINC000023066868 167300118 /nfs/dbraw/zinc/30/01/18/167300118.db2.gz PBRVAHHAHQBGQT-AWEZNQCLSA-N 1 0 245.326 2.370 10 0 BEAERO CC(C)Oc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000037405131 167301289 /nfs/dbraw/zinc/30/12/89/167301289.db2.gz MMKDZSXHHKYOKM-CYBMUJFWSA-N 1 0 221.300 2.135 10 0 BEAERO CC(C)Oc1ccc([C@H]([NH3+])Cn2cccn2)cc1 ZINC000023066870 167301350 /nfs/dbraw/zinc/30/13/50/167301350.db2.gz PBRVAHHAHQBGQT-CQSZACIVSA-N 1 0 245.326 2.370 10 0 BEAERO CC(C)Oc1ccc2c(ccn2CC[NH3+])c1 ZINC000059731449 167302970 /nfs/dbraw/zinc/30/29/70/167302970.db2.gz HXFONJVJSLMCSN-UHFFFAOYSA-N 1 0 218.300 2.387 10 0 BEAERO CC(C)Oc1cccc(NC(=O)CCC[NH3+])c1 ZINC000033465799 167305919 /nfs/dbraw/zinc/30/59/19/167305919.db2.gz RIPMFGHJXHNMTM-UHFFFAOYSA-N 1 0 236.315 2.151 10 0 BEAERO CC(C)Oc1ncc(Br)cc1C[NH3+] ZINC000051526513 167313852 /nfs/dbraw/zinc/31/38/52/167313852.db2.gz PBVSNTIGJCMASP-UHFFFAOYSA-N 1 0 245.120 2.090 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000236659121 167358583 /nfs/dbraw/zinc/35/85/83/167358583.db2.gz MXTBFCFGZVRAAJ-AAEUAGOBSA-N 1 0 228.380 2.158 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)c1cccc(C[NH3+])c1 ZINC000036786597 167365308 /nfs/dbraw/zinc/36/53/08/167365308.db2.gz CFGDZUAMKJJOKZ-LLVKDONJSA-N 1 0 234.343 2.262 10 0 BEAERO CC(C)[C@@H](C)N(C)c1nc2ccccn2c1C[NH3+] ZINC000036787798 167370208 /nfs/dbraw/zinc/37/02/08/167370208.db2.gz HQXSALNQMNQPBA-LLVKDONJSA-N 1 0 246.358 2.274 10 0 BEAERO CC(C)[C@@H](C)NC(=O)C[NH2+]CC1(C)CCCC1 ZINC000104432319 167373519 /nfs/dbraw/zinc/37/35/19/167373519.db2.gz PRQWJHYSUWOYSZ-GFCCVEGCSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1F ZINC000020302413 167379972 /nfs/dbraw/zinc/37/99/72/167379972.db2.gz WTEJDQQFYVZMRT-SNVBAGLBSA-N 1 0 238.306 2.398 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020137991 167382739 /nfs/dbraw/zinc/38/27/39/167382739.db2.gz UJWUEEMLXSCJMF-NEPJUHHUSA-N 1 0 235.327 2.461 10 0 BEAERO C[C@H](CCC1CC1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000398077922 410940303 /nfs/dbraw/zinc/94/03/03/410940303.db2.gz JGLRWLFRMVRXCW-RTXFEEFZSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)[C@@H](C[NH+](C)C)Nc1cccc(F)c1N ZINC000049194847 167394967 /nfs/dbraw/zinc/39/49/67/167394967.db2.gz PQZVQBWMXKYDTG-GFCCVEGCSA-N 1 0 239.338 2.406 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccn1 ZINC000049195682 167395874 /nfs/dbraw/zinc/39/58/74/167395874.db2.gz GHNVCADAYLPREW-GXTWGEPZSA-N 1 0 235.375 2.318 10 0 BEAERO CC(C)[C@@H](C[NH3+])Oc1cc(F)cc(F)c1 ZINC000054934506 167397105 /nfs/dbraw/zinc/39/71/05/167397105.db2.gz CQBFIFRYBYNOED-LLVKDONJSA-N 1 0 215.243 2.327 10 0 BEAERO CC(C)[C@@H](C[NH2+]C1CC1)OCC1CCOCC1 ZINC000052708280 167399347 /nfs/dbraw/zinc/39/93/47/167399347.db2.gz RPMTZMMEHHSVEW-CQSZACIVSA-N 1 0 241.375 2.206 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)CCC1CC1 ZINC000398158029 410945414 /nfs/dbraw/zinc/94/54/14/410945414.db2.gz JLLKWEATCUQNTL-JQWIXIFHSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@](O)(c1ccccc1)c1cc[n+](C)cc1 ZINC000004141612 167537800 /nfs/dbraw/zinc/53/78/00/167537800.db2.gz BKTDBIQSWPDKGO-INIZCTEOSA-N 1 0 242.342 2.403 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CCC(C)(C)C ZINC000399832088 411064795 /nfs/dbraw/zinc/06/47/95/411064795.db2.gz ZDMOBGMJEPZHHR-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@@H]1C[NH+](C[C@@H]2Cc3ccccc32)C[C@@H](C)C1O ZINC000661620061 411066672 /nfs/dbraw/zinc/06/66/72/411066672.db2.gz FZUBUMOKJFZFRD-BZPMIXESSA-N 1 0 245.366 2.275 10 0 BEAERO CC(C)c1cc(N[C@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000073735251 167577560 /nfs/dbraw/zinc/57/75/60/167577560.db2.gz IWRPDLQXRVEWPL-QMMMGPOBSA-N 1 0 240.738 2.027 10 0 BEAERO Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399175689 411022221 /nfs/dbraw/zinc/02/22/21/411022221.db2.gz AZNVNJRLQPNOQR-FZMZJTMJSA-N 1 0 237.318 2.479 10 0 BEAERO CC[C@@H](NC(=O)C1([NH3+])CCCCC1)C(C)C ZINC000042592903 411022409 /nfs/dbraw/zinc/02/24/09/411022409.db2.gz DZPCRFNYGLSKBT-LLVKDONJSA-N 1 0 226.364 2.199 10 0 BEAERO C[C@@H]([NH3+])CNc1nc2ccccc2s1 ZINC000045236757 411144618 /nfs/dbraw/zinc/14/46/18/411144618.db2.gz HNPGYPYSWHBKSR-SSDOTTSWSA-N 1 0 207.302 2.055 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000657884997 411152097 /nfs/dbraw/zinc/15/20/97/411152097.db2.gz AYSDPNOGRJSYFG-UPJWGTAASA-N 1 0 223.360 2.460 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661691325 411153591 /nfs/dbraw/zinc/15/35/91/411153591.db2.gz UHUQOVYGKHSMOZ-RYUDHWBXSA-N 1 0 217.328 2.219 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657889754 411154412 /nfs/dbraw/zinc/15/44/12/411154412.db2.gz QBJYDYBFQCTKAM-RWMBFGLXSA-N 1 0 243.416 2.413 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657891326 411156392 /nfs/dbraw/zinc/15/63/92/411156392.db2.gz ZDFKAZAQUBMBQJ-FRRDWIJNSA-N 1 0 243.416 2.413 10 0 BEAERO CCOC1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000657893769 411157700 /nfs/dbraw/zinc/15/77/00/411157700.db2.gz UAKQDNISQZJACK-ABXWRUBCSA-N 1 0 241.375 2.085 10 0 BEAERO C[C@H](NC(=O)CCCC[NH3+])c1cccs1 ZINC000069733065 411159462 /nfs/dbraw/zinc/15/94/62/411159462.db2.gz RBSJREOQJDBXGZ-VIFPVBQESA-N 1 0 226.345 2.054 10 0 BEAERO Cc1cc(C[NH2+]CCCC(F)(F)F)on1 ZINC000123594294 411159579 /nfs/dbraw/zinc/15/95/79/411159579.db2.gz IKNCWNPEODRPBG-UHFFFAOYSA-N 1 0 222.210 2.415 10 0 BEAERO CC(C)c1nn(C)cc1C[NH2+][C@H]1C[C@@H]1C ZINC000052274799 167698763 /nfs/dbraw/zinc/69/87/63/167698763.db2.gz KOLRUTCECKSXEC-ONGXEEELSA-N 1 0 207.321 2.042 10 0 BEAERO CC[C@H](NC(=O)[C@H](C[NH3+])c1ccccc1)C(C)C ZINC000061612838 411169791 /nfs/dbraw/zinc/16/97/91/411169791.db2.gz NSJVHXJRBHKPAH-KGLIPLIRSA-N 1 0 248.370 2.280 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657935690 411173130 /nfs/dbraw/zinc/17/31/30/411173130.db2.gz NPNOAUOVFGNVFF-GARJFASQSA-N 1 0 215.362 2.039 10 0 BEAERO O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000217745156 411184652 /nfs/dbraw/zinc/18/46/52/411184652.db2.gz YLKZHVVXMKYAGG-BFHYXJOUSA-N 1 0 246.354 2.210 10 0 BEAERO CC[C@H]([NH2+]C1CC(CO)C1)C1CCCC1 ZINC000658353563 411243856 /nfs/dbraw/zinc/24/38/56/411243856.db2.gz OXABXLXDFIBEGU-GDKBPFBDSA-N 1 0 211.349 2.316 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000658353326 411244009 /nfs/dbraw/zinc/24/40/09/411244009.db2.gz LRJHSIYJEZAKHH-QHAMSDLMSA-N 1 0 247.338 2.130 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cccs1 ZINC000128915663 411189752 /nfs/dbraw/zinc/18/97/52/411189752.db2.gz ILWKITDZFWEGQP-NSHDSACASA-N 1 0 240.372 2.080 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C(C)(C)C ZINC000128952465 411194344 /nfs/dbraw/zinc/19/43/44/411194344.db2.gz CTCMVBFZAMAXQH-QWRGUYRKSA-N 1 0 228.380 2.253 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCC1CCCC1 ZINC000128950634 411194696 /nfs/dbraw/zinc/19/46/96/411194696.db2.gz XNBKGBDWPBDJSH-LBPRGKRZSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)n1cccc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038048813 167770648 /nfs/dbraw/zinc/77/06/48/167770648.db2.gz LLGDUCGFPXNWFD-RYUDHWBXSA-N 1 0 249.358 2.069 10 0 BEAERO CCC[C@H](CC)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129029378 411209224 /nfs/dbraw/zinc/20/92/24/411209224.db2.gz WQONOECTYVLWIF-WDEREUQCSA-N 1 0 214.353 2.055 10 0 BEAERO CC(C)n1ncc(Br)c1CCC[NH3+] ZINC000075845802 167785290 /nfs/dbraw/zinc/78/52/90/167785290.db2.gz UDSOSQLUYJFAQY-UHFFFAOYSA-N 1 0 246.152 2.118 10 0 BEAERO C1[C@H]2CCC[C@@H]([NH2+][C@H]3COC4(CCC4)C3)[C@@H]12 ZINC000658042003 411215481 /nfs/dbraw/zinc/21/54/81/411215481.db2.gz NVGPXXAPFIYWJH-FVCCEPFGSA-N 1 0 221.344 2.476 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)C1CCCC1 ZINC000129080178 411218367 /nfs/dbraw/zinc/21/83/67/411218367.db2.gz SILICNBMRVOSMC-PWSUYJOCSA-N 1 0 226.364 2.055 10 0 BEAERO c1csc(-c2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC000049833843 411247052 /nfs/dbraw/zinc/24/70/52/411247052.db2.gz WBRBMPJQBUSADT-UHFFFAOYSA-N 1 0 245.351 2.220 10 0 BEAERO Cc1ccsc1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000129138156 411232865 /nfs/dbraw/zinc/23/28/65/411232865.db2.gz GVPHJXTTZFKDOX-JTQLQIEISA-N 1 0 240.372 2.046 10 0 BEAERO CC(F)(F)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000357702954 167816359 /nfs/dbraw/zinc/81/63/59/167816359.db2.gz CFNCKOKVRSPZPY-AEJSXWLSSA-N 1 0 233.302 2.435 10 0 BEAERO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000309787254 411239203 /nfs/dbraw/zinc/23/92/03/411239203.db2.gz SWKMFVMUEVXOLU-YVECIDJPSA-N 1 0 243.416 2.363 10 0 BEAERO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cn[nH]c1 ZINC000111356983 411167261 /nfs/dbraw/zinc/16/72/61/411167261.db2.gz BVMDFSCMGGGDFW-ZDUSSCGKSA-N 1 0 231.274 2.326 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CS1 ZINC000655710555 411263254 /nfs/dbraw/zinc/26/32/54/411263254.db2.gz AAAYVUQNIXNTSC-MXWKQRLJSA-N 1 0 231.405 2.267 10 0 BEAERO Cc1ccccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000128878181 411271132 /nfs/dbraw/zinc/27/11/32/411271132.db2.gz BOWVFTIVNBSOKV-NSHDSACASA-N 1 0 220.316 2.307 10 0 BEAERO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1O)c1ccncc1 ZINC000656507607 411287621 /nfs/dbraw/zinc/28/76/21/411287621.db2.gz RVIFOWJRXOKDFY-ZIAGYGMSSA-N 1 0 248.370 2.252 10 0 BEAERO CCC[C@H]1C[NH2+]CC[C@H]1NC(=O)OC(C)(C)C ZINC000006780199 411299943 /nfs/dbraw/zinc/29/99/43/411299943.db2.gz FICPOPNBONCTAH-WDEREUQCSA-N 1 0 242.363 2.289 10 0 BEAERO OCC1CC([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000658357066 411303469 /nfs/dbraw/zinc/30/34/69/411303469.db2.gz QXPGYHRMOGKUNT-IFFXXYNGSA-N 1 0 223.360 2.316 10 0 BEAERO OCC1CC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000658357068 411303487 /nfs/dbraw/zinc/30/34/87/411303487.db2.gz QXPGYHRMOGKUNT-LJMKDGOPSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658241829 411308147 /nfs/dbraw/zinc/30/81/47/411308147.db2.gz OIHCOLHRLVPZPY-FRRDWIJNSA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+]C1(CNc2nc3ccccc3[nH]2)CCCC1 ZINC000656610215 411308414 /nfs/dbraw/zinc/30/84/14/411308414.db2.gz TXPAIUGPDZJRBM-UHFFFAOYSA-N 1 0 230.315 2.246 10 0 BEAERO c1ccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656609920 411308462 /nfs/dbraw/zinc/30/84/62/411308462.db2.gz ZVWUKUQYSHXQOD-AWEZNQCLSA-N 1 0 245.370 2.298 10 0 BEAERO [NH3+]C1(CNc2ncccc2Cl)CCCC1 ZINC000656610671 411308940 /nfs/dbraw/zinc/30/89/40/411308940.db2.gz NIVZEOGIVSCNJR-UHFFFAOYSA-N 1 0 225.723 2.418 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658241543 411309072 /nfs/dbraw/zinc/30/90/72/411309072.db2.gz XWJJXGWWHULTBJ-YNEHKIRRSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658239816 411309127 /nfs/dbraw/zinc/30/91/27/411309127.db2.gz FGZIDBMJOCMDEJ-WCQYABFASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658242850 411310380 /nfs/dbraw/zinc/31/03/80/411310380.db2.gz LTCAFGVZXZZIPQ-AAEUAGOBSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(F)cc1 ZINC000658352189 411354781 /nfs/dbraw/zinc/35/47/81/411354781.db2.gz UHAYJQUPUPPPIF-TTXORMCVSA-N 1 0 223.291 2.247 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)C1CCCCC1 ZINC000658351879 411355371 /nfs/dbraw/zinc/35/53/71/411355371.db2.gz QKWMWMGDMCGIBD-XSRFYTQQSA-N 1 0 211.349 2.316 10 0 BEAERO COc1ccc(C)cc1[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658352091 411355439 /nfs/dbraw/zinc/35/54/39/411355439.db2.gz SKRXSDNGEJEIGF-HIFPTAJRSA-N 1 0 249.354 2.425 10 0 BEAERO C[C@H]1CCCCC[C@H]1[NH2+]C1CC(CO)C1 ZINC000658352960 411355842 /nfs/dbraw/zinc/35/58/42/411355842.db2.gz IPMRPLZEWFPWQU-YWPUVAFDSA-N 1 0 211.349 2.316 10 0 BEAERO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(O)CCC1 ZINC000662127566 411363951 /nfs/dbraw/zinc/36/39/51/411363951.db2.gz BXFAQQHLXSWNEJ-YOGCLGLASA-N 1 0 209.333 2.164 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000659341007 411369849 /nfs/dbraw/zinc/36/98/49/411369849.db2.gz XYCKNGFVGYZRCO-DCAQKATOSA-N 1 0 226.364 2.055 10 0 BEAERO CC1(C[NH2+][C@H]2CCc3c2cccc3O)COC1 ZINC000094721858 168047337 /nfs/dbraw/zinc/04/73/37/168047337.db2.gz CEKCXOGRZFPXSV-LBPRGKRZSA-N 1 0 233.311 2.006 10 0 BEAERO CC[C@@H]([NH2+]C1CCN(C)CC1)C(C)(C)C ZINC000167378298 411340907 /nfs/dbraw/zinc/34/09/07/411340907.db2.gz DUDQRMCEPGMUTO-GFCCVEGCSA-N 1 0 212.381 2.495 10 0 BEAERO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309518818 167996337 /nfs/dbraw/zinc/99/63/37/167996337.db2.gz ZKSLJFZPVSRBSB-WHOHXGKFSA-N 1 0 229.339 2.264 10 0 BEAERO CC1(C)[C@H]([NH2+]CCCOC(F)F)[C@H]2CCO[C@H]21 ZINC000374606513 168004978 /nfs/dbraw/zinc/00/49/78/168004978.db2.gz BVYATMGIVZEYBI-OPRDCNLKSA-N 1 0 249.301 2.019 10 0 BEAERO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000107242030 168007485 /nfs/dbraw/zinc/00/74/85/168007485.db2.gz RTPQOQBCLWOZLU-GFCCVEGCSA-N 1 0 205.301 2.032 10 0 BEAERO CC1CCC(C[NH3+])(c2ccccn2)CC1 ZINC000077298225 168153837 /nfs/dbraw/zinc/15/38/37/168153837.db2.gz ZUSKYYFMQKPCAH-UHFFFAOYSA-N 1 0 204.317 2.488 10 0 BEAERO CC1CCC(NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000019506517 168161636 /nfs/dbraw/zinc/16/16/36/168161636.db2.gz HBGVDUCNWCTXBC-MVKMKZAISA-N 1 0 238.375 2.212 10 0 BEAERO CC1CCC(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000019507608 168161676 /nfs/dbraw/zinc/16/16/76/168161676.db2.gz DDTRBPRBMHPMKU-QZQSVVMZSA-N 1 0 238.375 2.069 10 0 BEAERO CC1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000037152209 168162609 /nfs/dbraw/zinc/16/26/09/168162609.db2.gz OOJRJKXFMLUHAM-UHFFFAOYSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]([NH2+]C1CCC(C)CC1)C(=O)N1CCCC1 ZINC000020300530 168166081 /nfs/dbraw/zinc/16/60/81/168166081.db2.gz UJXMZUIFPUCGHB-OTTFEQOBSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)OC1CCC(C)CC1 ZINC000048633019 168166503 /nfs/dbraw/zinc/16/65/03/168166503.db2.gz SRAWSIGDLXNAHP-ILDUYXDCSA-N 1 0 213.321 2.092 10 0 BEAERO CC1CCC(OCc2cc(C[NH3+])no2)CC1 ZINC000052619311 168167962 /nfs/dbraw/zinc/16/79/62/168167962.db2.gz IDHAAVZLHVLJNG-UHFFFAOYSA-N 1 0 224.304 2.229 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCCC1CCC1 ZINC000659360943 411376740 /nfs/dbraw/zinc/37/67/40/411376740.db2.gz HDLZOIHNSRHWBO-OLZOCXBDSA-N 1 0 238.375 2.058 10 0 BEAERO CC1CC[NH+](CCOc2cccc(N)c2)CC1 ZINC000019731869 168181875 /nfs/dbraw/zinc/18/18/75/168181875.db2.gz WNVPYSAPGLHBGF-UHFFFAOYSA-N 1 0 234.343 2.380 10 0 BEAERO CC1CC[NH+]([C@@H](CN)CC(C)(C)C)CC1 ZINC000061839631 168186756 /nfs/dbraw/zinc/18/67/56/168186756.db2.gz ORLBMQGKLSYSRU-GFCCVEGCSA-N 1 0 212.381 2.482 10 0 BEAERO CC1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000022175278 168187082 /nfs/dbraw/zinc/18/70/82/168187082.db2.gz PUBJOMJWVIUMEB-LBPRGKRZSA-N 1 0 224.373 2.480 10 0 BEAERO C[C@H](N)[C@@H]([NH+]1CCC(C)CC1)C(C)(C)C ZINC000043291298 168187470 /nfs/dbraw/zinc/18/74/70/168187470.db2.gz GWKGYWYRBAHDGC-NWDGAFQWSA-N 1 0 212.381 2.480 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000300121141 168198127 /nfs/dbraw/zinc/19/81/27/168198127.db2.gz TXBLQVFDHPRXOY-ZIAGYGMSSA-N 1 0 239.359 2.389 10 0 BEAERO CCC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC000037506461 168244264 /nfs/dbraw/zinc/24/42/64/168244264.db2.gz YFJGWEOLZJPURL-UHFFFAOYSA-N 1 0 220.316 2.271 10 0 BEAERO CCC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000035635212 168247039 /nfs/dbraw/zinc/24/70/39/168247039.db2.gz IOEDAKQMQOFZOI-SECBINFHSA-N 1 0 206.289 2.316 10 0 BEAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000122859285 168290683 /nfs/dbraw/zinc/29/06/83/168290683.db2.gz ZSWIVCHOMKNQKM-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C1CCCC1 ZINC000034938755 168293396 /nfs/dbraw/zinc/29/33/96/168293396.db2.gz SAUJZRAEMMPCJY-SNVBAGLBSA-N 1 0 226.364 2.212 10 0 BEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C1CCCC1 ZINC000034938756 168295034 /nfs/dbraw/zinc/29/50/34/168295034.db2.gz SAUJZRAEMMPCJY-JTQLQIEISA-N 1 0 226.364 2.212 10 0 BEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CC1CCCC1 ZINC000037251966 168295608 /nfs/dbraw/zinc/29/56/08/168295608.db2.gz DRLJWNBAXSUQED-NSHDSACASA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)Oc1nnc(C)c(C)c1C[NH3+] ZINC000040290584 168304629 /nfs/dbraw/zinc/30/46/29/168304629.db2.gz BPWOMXMWGZDOKV-UHFFFAOYSA-N 1 0 223.320 2.120 10 0 BEAERO CCC(C)(C)c1ccc(OC[C@@H](O)C[NH3+])cc1 ZINC000008028952 168305148 /nfs/dbraw/zinc/30/51/48/168305148.db2.gz FLSQONWNZKLDFO-LBPRGKRZSA-N 1 0 237.343 2.073 10 0 BEAERO Cc1cc(C)cc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000659345494 411400523 /nfs/dbraw/zinc/40/05/23/411400523.db2.gz MKDSFMXRGYKDAJ-KBPBESRZSA-N 1 0 246.354 2.047 10 0 BEAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070307707 411401595 /nfs/dbraw/zinc/40/15/95/411401595.db2.gz MZMBNPONBKBGTP-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000659372367 411405145 /nfs/dbraw/zinc/40/51/45/411405145.db2.gz AHELVFINACBXIW-NDBYEHHHSA-N 1 0 238.375 2.151 10 0 BEAERO c1nc(C2CCC2)sc1C[NH2+][C@@H]1CCOC1 ZINC000125871329 411405728 /nfs/dbraw/zinc/40/57/28/411405728.db2.gz XBYYDPXZLROGCS-SNVBAGLBSA-N 1 0 238.356 2.289 10 0 BEAERO CCN(CCOC)c1ccccc1C[NH2+]C1CC1 ZINC000042493998 169866923 /nfs/dbraw/zinc/86/69/23/169866923.db2.gz IINLPWDGTICROF-UHFFFAOYSA-N 1 0 248.370 2.411 10 0 BEAERO C[C@@H](CC1CCCC1)[NH2+]C1CC(CO)C1 ZINC000658357570 411418879 /nfs/dbraw/zinc/41/88/79/411418879.db2.gz VYPXLRAOFLMEAN-PKSQDBQZSA-N 1 0 211.349 2.316 10 0 BEAERO CCN(CCc1ccncc1)C[C@H]1CCCC[NH2+]1 ZINC000058267159 169874885 /nfs/dbraw/zinc/87/48/85/169874885.db2.gz LSCITNTXJHOOIC-OAHLLOKOSA-N 1 0 247.386 2.088 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc(-c2cccs2)no1 ZINC000070999993 411428520 /nfs/dbraw/zinc/42/85/20/411428520.db2.gz QWOAISCQKJBAAN-MRVPVSSYSA-N 1 0 237.328 2.324 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000122596097 411434532 /nfs/dbraw/zinc/43/45/32/411434532.db2.gz XIGJJFOTQJYONN-ZYHUDNBSSA-N 1 0 248.374 2.082 10 0 BEAERO CC[C@H]1CN(c2nc3ccccc3[nH]2)CC[C@@H]1[NH3+] ZINC000122941601 411436416 /nfs/dbraw/zinc/43/64/16/411436416.db2.gz AFWNZTDBFYHYPX-QWRGUYRKSA-N 1 0 244.342 2.127 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655737265 411443041 /nfs/dbraw/zinc/44/30/41/411443041.db2.gz OOABXLMEPYYLCD-CHWFTXMASA-N 1 0 215.362 2.038 10 0 BEAERO COCc1csc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000657346231 411470208 /nfs/dbraw/zinc/47/02/08/411470208.db2.gz FQBNGBXDPJQIBS-KWQFWETISA-N 1 0 211.330 2.393 10 0 BEAERO C(CC1CCC1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000659902308 411492133 /nfs/dbraw/zinc/49/21/33/411492133.db2.gz VHISTMKFXFCMBX-AWEZNQCLSA-N 1 0 222.376 2.347 10 0 BEAERO CCN1CCC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000095627732 169958391 /nfs/dbraw/zinc/95/83/91/169958391.db2.gz JVYLIRBVTHCGNY-UHFFFAOYSA-N 1 0 246.354 2.418 10 0 BEAERO CC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCC1 ZINC000659941245 411504985 /nfs/dbraw/zinc/50/49/85/411504985.db2.gz WRZULOJTSAJPBQ-YPMHNXCESA-N 1 0 211.349 2.412 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccc(Cl)s1 ZINC000083357745 170001128 /nfs/dbraw/zinc/00/11/28/170001128.db2.gz VSFWSQMZPPHCIT-MRVPVSSYSA-N 1 0 230.764 2.368 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2cc(N)ccc2C)C1 ZINC000053735118 170010770 /nfs/dbraw/zinc/01/07/70/170010770.db2.gz IGSQUTQUZPVDIS-LBPRGKRZSA-N 1 0 233.359 2.331 10 0 BEAERO CCN1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328464200 170011720 /nfs/dbraw/zinc/01/17/20/170011720.db2.gz IOZYHDUGJQHWSX-CHWSQXEVSA-N 1 0 208.349 2.027 10 0 BEAERO CCN1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000328223562 170013104 /nfs/dbraw/zinc/01/31/04/170013104.db2.gz ZIEFWLFNRSMQJH-JXQTWKCFSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000328355342 170022046 /nfs/dbraw/zinc/02/20/46/170022046.db2.gz OTQWKQQFLALOQA-NEPJUHHUSA-N 1 0 222.332 2.333 10 0 BEAERO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000120112952 170024017 /nfs/dbraw/zinc/02/40/17/170024017.db2.gz HRDVHBXIDVROBW-KGLIPLIRSA-N 1 0 222.376 2.488 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000336779090 170031620 /nfs/dbraw/zinc/03/16/20/170031620.db2.gz NDVODXDNOMWVNU-ZWNOBZJWSA-N 1 0 238.400 2.486 10 0 BEAERO CCN1C[C@H]([NH2+]Cc2ccc(C)s2)[C@@H](C)C1 ZINC000336779087 170036579 /nfs/dbraw/zinc/03/65/79/170036579.db2.gz NDVODXDNOMWVNU-GWCFXTLKSA-N 1 0 238.400 2.486 10 0 BEAERO CCN1C[C@H]([NH2+]Cc2cccs2)[C@@H](C)C1 ZINC000336753922 170036613 /nfs/dbraw/zinc/03/66/13/170036613.db2.gz HCUNMUGDDUWZOL-JQWIXIFHSA-N 1 0 224.373 2.178 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000336778428 170036681 /nfs/dbraw/zinc/03/66/81/170036681.db2.gz LIMOKJHHXAGNLE-XQQFMLRXSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000336678609 170039373 /nfs/dbraw/zinc/03/93/73/170039373.db2.gz BXJAILTWRAYRNZ-IGQOVBAYSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000309907562 170039804 /nfs/dbraw/zinc/03/98/04/170039804.db2.gz KZLCTQWWBXWHDO-YNEHKIRRSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000336678611 170039982 /nfs/dbraw/zinc/03/99/82/170039982.db2.gz BXJAILTWRAYRNZ-XJFOESAGSA-N 1 0 224.392 2.495 10 0 BEAERO CCNC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000135715187 170052933 /nfs/dbraw/zinc/05/29/33/170052933.db2.gz AGWICEVDYCEUGP-CYBMUJFWSA-N 1 0 248.370 2.480 10 0 BEAERO CCNC(=O)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000051759123 170053574 /nfs/dbraw/zinc/05/35/74/170053574.db2.gz SLSHTNHQDXEXNW-CYBMUJFWSA-N 1 0 248.370 2.124 10 0 BEAERO CCNC(=O)CC[C@H](C[NH3+])C1CCCCC1 ZINC000076612372 170054045 /nfs/dbraw/zinc/05/40/45/170054045.db2.gz KJAIXWHCENWMKG-GFCCVEGCSA-N 1 0 226.364 2.058 10 0 BEAERO CCNC(=O)C[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000035135971 170065463 /nfs/dbraw/zinc/06/54/63/170065463.db2.gz AMLYKBDHVLHVEH-XQQFMLRXSA-N 1 0 240.391 2.173 10 0 BEAERO CCNC(=O)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000035138924 170066037 /nfs/dbraw/zinc/06/60/37/170066037.db2.gz SOIFBFXEYZXGCO-GFCCVEGCSA-N 1 0 234.343 2.090 10 0 BEAERO O[C@H]1CCC[C@H](C[NH+]2CCC3(CC3)CC2)C1 ZINC000660144568 411543608 /nfs/dbraw/zinc/54/36/08/411543608.db2.gz HEYJRWYKAPXGOL-STQMWFEESA-N 1 0 223.360 2.414 10 0 BEAERO CCNC(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000035645264 170084187 /nfs/dbraw/zinc/08/41/87/170084187.db2.gz WNXAPQSBVMDPFH-VIFPVBQESA-N 1 0 221.304 2.108 10 0 BEAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000035136185 170095875 /nfs/dbraw/zinc/09/58/75/170095875.db2.gz SGVLKLBBMFYEEK-SDDRHHMPSA-N 1 0 240.391 2.315 10 0 BEAERO CCNC(=O)[C@H](CCC[NH3+])c1cc(C)ccc1C ZINC000076634540 170097586 /nfs/dbraw/zinc/09/75/86/170097586.db2.gz SGJHPBVXURBRMX-CYBMUJFWSA-N 1 0 248.370 2.262 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCCc2ccccc21 ZINC000061287878 170105959 /nfs/dbraw/zinc/10/59/59/170105959.db2.gz SFCNEZHRHGCLJD-UHFFFAOYSA-N 1 0 246.354 2.354 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000061299428 170106749 /nfs/dbraw/zinc/10/67/49/170106749.db2.gz XPVWELSOXIEABT-MNOVXSKESA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CC[C@H](C)C[C@@H]1C ZINC000061299427 170106836 /nfs/dbraw/zinc/10/68/36/170106836.db2.gz XPVWELSOXIEABT-QWRGUYRKSA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)c1nc2c(s1)CCC2 ZINC000041061247 170107171 /nfs/dbraw/zinc/10/71/71/170107171.db2.gz JBYSHUWJTHKYRE-UHFFFAOYSA-N 1 0 210.346 2.476 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NCCC1CCCCC1 ZINC000061293361 170107432 /nfs/dbraw/zinc/10/74/32/170107432.db2.gz YMVPFGIMCBZCJS-UHFFFAOYSA-N 1 0 240.391 2.461 10 0 BEAERO CC[NH2+]C(C)(C)CN1CCc2ccccc21 ZINC000061299624 170107626 /nfs/dbraw/zinc/10/76/26/170107626.db2.gz SVDXDFIBCCNYKN-UHFFFAOYSA-N 1 0 218.344 2.437 10 0 BEAERO CC[NH2+]C(C)(C)CN1CC[C@@H](C)C[C@@H]1C ZINC000061299968 170107628 /nfs/dbraw/zinc/10/76/28/170107628.db2.gz MEVHRVPSLAHUKW-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO CC[NH2+]C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000037240656 170108752 /nfs/dbraw/zinc/10/87/52/170108752.db2.gz FUWJFOMAKFGAOD-UHFFFAOYSA-N 1 0 248.370 2.269 10 0 BEAERO CC[NH2+]C1CCN(CCOc2ccccc2)CC1 ZINC000042896723 170108766 /nfs/dbraw/zinc/10/87/66/170108766.db2.gz QFDQLJXIRFVUPV-UHFFFAOYSA-N 1 0 248.370 2.139 10 0 BEAERO CC[NH2+]C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000037536737 170108785 /nfs/dbraw/zinc/10/87/85/170108785.db2.gz XOFJEHVSJRNXBV-UHFFFAOYSA-N 1 0 247.342 2.292 10 0 BEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)on1 ZINC000054629019 170109577 /nfs/dbraw/zinc/10/95/77/170109577.db2.gz OQFOZXDKCPHHMU-QXMXGUDHSA-N 1 0 249.358 2.088 10 0 BEAERO CC[NH2+]CC(=O)c1c[nH]c2c1cccc2F ZINC000082598130 170109684 /nfs/dbraw/zinc/10/96/84/170109684.db2.gz ZEXNKBSSERESLD-UHFFFAOYSA-N 1 0 220.247 2.099 10 0 BEAERO CC[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000053737628 170110952 /nfs/dbraw/zinc/11/09/52/170110952.db2.gz CRKZQUXVUUSZAQ-UHFFFAOYSA-N 1 0 219.328 2.344 10 0 BEAERO CC[NH2+]CCC(=O)NCC1CCC(CC)CC1 ZINC000061296814 170111396 /nfs/dbraw/zinc/11/13/96/170111396.db2.gz MWLGQXXHRWMXAQ-UHFFFAOYSA-N 1 0 240.391 2.319 10 0 BEAERO CC[NH2+]CCN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000044381093 170113493 /nfs/dbraw/zinc/11/34/93/170113493.db2.gz UFUBHSPJVRCYBR-QWHCGFSZSA-N 1 0 210.365 2.108 10 0 BEAERO CC[NH2+]CCCc1cc(F)ccc1OC ZINC000098123951 170113782 /nfs/dbraw/zinc/11/37/82/170113782.db2.gz NJNHJXIPYRYGBG-UHFFFAOYSA-N 1 0 211.280 2.376 10 0 BEAERO CC[NH2+]CC[C@H](O)c1ccc(CC)cc1 ZINC000049814044 170116962 /nfs/dbraw/zinc/11/69/62/170116962.db2.gz IHSDCBWNIAMQPY-ZDUSSCGKSA-N 1 0 207.317 2.282 10 0 BEAERO CC[NH2+]CCc1c[nH]c2cc(OC)c(OC)cc12 ZINC000107293723 170117152 /nfs/dbraw/zinc/11/71/52/170117152.db2.gz QWCVAICVBVSDDC-UHFFFAOYSA-N 1 0 248.326 2.337 10 0 BEAERO CC[NH2+]CCc1ccc(F)c(F)c1F ZINC000061838835 170117515 /nfs/dbraw/zinc/11/75/15/170117515.db2.gz JYULRLYEIXFMLY-UHFFFAOYSA-N 1 0 203.207 2.256 10 0 BEAERO CC[NH2+]CCc1nc2cc(C)ccc2n1C ZINC000051784292 170118152 /nfs/dbraw/zinc/11/81/52/170118152.db2.gz OPJRBCQTBZLAHK-UHFFFAOYSA-N 1 0 217.316 2.034 10 0 BEAERO CC[NH2+]CCc1ccc2ccccc2n1 ZINC000053302044 170118485 /nfs/dbraw/zinc/11/84/85/170118485.db2.gz ZAEWMVSKOLZNCB-UHFFFAOYSA-N 1 0 200.285 2.387 10 0 BEAERO CC[NH2+]C[C@@H](C)c1nc2cc(F)ccc2[nH]1 ZINC000061219184 170118909 /nfs/dbraw/zinc/11/89/09/170118909.db2.gz JHUXMIVPLSAGHX-MRVPVSSYSA-N 1 0 221.279 2.415 10 0 BEAERO CC[NH2+]C[C@@H](C)CN1Cc2ccccc2C1 ZINC000052374282 170118963 /nfs/dbraw/zinc/11/89/63/170118963.db2.gz BWVKMBDPSSETLN-GFCCVEGCSA-N 1 0 218.344 2.248 10 0 BEAERO CC[NH2+]C[C@@H](O)c1c(C)cc(C)cc1C ZINC000049814022 170119858 /nfs/dbraw/zinc/11/98/58/170119858.db2.gz OAIIEHKNKXCCSN-GFCCVEGCSA-N 1 0 207.317 2.255 10 0 BEAERO CC[NH2+]C[C@@H]1CCCCN1c1nccs1 ZINC000053698205 170120317 /nfs/dbraw/zinc/12/03/17/170120317.db2.gz AFWVQXSXESZMII-JTQLQIEISA-N 1 0 225.361 2.112 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1cc(C)ccc1C ZINC000032011829 170120982 /nfs/dbraw/zinc/12/09/82/170120982.db2.gz KBZOBMWEDYSNNO-CYBMUJFWSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000054590720 170121185 /nfs/dbraw/zinc/12/11/85/170121185.db2.gz KJTPMRYJQWZRNU-JQWIXIFHSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000054590566 170121265 /nfs/dbraw/zinc/12/12/65/170121265.db2.gz KBACXFDWWKANJA-WCQYABFASA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000061227631 170121527 /nfs/dbraw/zinc/12/15/27/170121527.db2.gz NRCJMLLJGKENRU-NSHDSACASA-N 1 0 246.354 2.359 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000061227167 170121710 /nfs/dbraw/zinc/12/17/10/170121710.db2.gz VMPDINSVYSYKCC-RYUDHWBXSA-N 1 0 234.343 2.109 10 0 BEAERO CC[NH2+]C[C@H](C)CN1CCOc2ccccc2C1 ZINC000063013437 170121856 /nfs/dbraw/zinc/12/18/56/170121856.db2.gz WKXRUIOJIGVFLP-ZDUSSCGKSA-N 1 0 248.370 2.127 10 0 BEAERO CC[NH2+]C[C@H](C)c1nncn1C1CCCCC1 ZINC000061221525 170121932 /nfs/dbraw/zinc/12/19/32/170121932.db2.gz NTDHZZVMZDHNSD-NSHDSACASA-N 1 0 236.363 2.496 10 0 BEAERO CC[NH2+]C[C@H](C)c1nc2ccccc2n1C ZINC000061219074 170121980 /nfs/dbraw/zinc/12/19/80/170121980.db2.gz POQGYDGIVQAGNG-JTQLQIEISA-N 1 0 217.316 2.286 10 0 BEAERO CC[NH2+]C[C@H](O)CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000036951178 170122158 /nfs/dbraw/zinc/12/21/58/170122158.db2.gz YZVRRWPNMYOKFW-RWMBFGLXSA-N 1 0 243.391 2.188 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(OC(C)C)c(F)c1 ZINC000071550643 170122784 /nfs/dbraw/zinc/12/27/84/170122784.db2.gz QZRSWZTVGFRDCB-LBPRGKRZSA-N 1 0 241.306 2.256 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1c(C)cc(C)cc1C ZINC000055032895 170123429 /nfs/dbraw/zinc/12/34/29/170123429.db2.gz LLMZNXISAZRTCJ-AWEZNQCLSA-N 1 0 221.344 2.429 10 0 BEAERO CC[NH2+]C[C@](C)(CC)CN1C[C@@H](C)O[C@H](C)C1 ZINC000051209972 170123532 /nfs/dbraw/zinc/12/35/32/170123532.db2.gz FTPQLRJJCONKIN-MCIONIFRSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+]Cc1cc(-c2cnn(C)c2)ccc1OC ZINC000038073130 170124327 /nfs/dbraw/zinc/12/43/27/170124327.db2.gz DSPUOXSQVKQWFB-UHFFFAOYSA-N 1 0 245.326 2.205 10 0 BEAERO CC[NH2+]Cc1cc(C)ccc1O[C@@H]1CCC[C@H]1O ZINC000071403911 170125017 /nfs/dbraw/zinc/12/50/17/170125017.db2.gz MSPQSAMPCBCCSI-UKRRQHHQSA-N 1 0 249.354 2.397 10 0 BEAERO CC[NH2+]Cc1cc(C)nc(C(C)(C)C)n1 ZINC000054831122 170125581 /nfs/dbraw/zinc/12/55/81/170125581.db2.gz IATPLKFPJMOAEO-UHFFFAOYSA-N 1 0 207.321 2.192 10 0 BEAERO CC[NH2+]Cc1cc2c(cc1OCC1CC1)OCO2 ZINC000042874583 170125605 /nfs/dbraw/zinc/12/56/05/170125605.db2.gz CEXVVESTOOAARF-UHFFFAOYSA-N 1 0 249.310 2.314 10 0 BEAERO CC[NH2+]Cc1cc(C)ccc1O[C@H]1CCC[C@H]1O ZINC000071403912 170125742 /nfs/dbraw/zinc/12/57/42/170125742.db2.gz MSPQSAMPCBCCSI-HIFRSBDPSA-N 1 0 249.354 2.397 10 0 BEAERO CC[NH2+]Cc1ccc(F)c(-c2cnn(C)c2)c1 ZINC000038073125 170126112 /nfs/dbraw/zinc/12/61/12/170126112.db2.gz OZBSDSCDQDKBJU-UHFFFAOYSA-N 1 0 233.290 2.336 10 0 BEAERO CC[NH2+]Cc1ccc(-n2ccc(C)n2)cc1 ZINC000052884734 170126116 /nfs/dbraw/zinc/12/61/16/170126116.db2.gz PVAOETIOVCSVGO-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1ccc(OCC)c(NC(C)=O)c1 ZINC000098126148 170127115 /nfs/dbraw/zinc/12/71/15/170127115.db2.gz OCUAKBLKNPNINZ-UHFFFAOYSA-N 1 0 236.315 2.153 10 0 BEAERO CC[NH2+]Cc1cccc(OCCCCCO)c1 ZINC000051019669 170128624 /nfs/dbraw/zinc/12/86/24/170128624.db2.gz DOIUCDZYIJVWJB-UHFFFAOYSA-N 1 0 237.343 2.338 10 0 BEAERO CC[NH2+]Cc1ccccc1Sc1nnc(C)[nH]1 ZINC000104298506 170129431 /nfs/dbraw/zinc/12/94/31/170129431.db2.gz HQQWRHRCJSESCO-UHFFFAOYSA-N 1 0 248.355 2.374 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)NC(C)C ZINC000036283530 170129443 /nfs/dbraw/zinc/12/94/43/170129443.db2.gz RBZGBBXENYXJCG-UHFFFAOYSA-N 1 0 235.331 2.326 10 0 BEAERO CC[NH2+]Cc1cnn(-c2cccc(OC)c2)c1C ZINC000082661339 170130194 /nfs/dbraw/zinc/13/01/94/170130194.db2.gz QACYBWUBJDHEJM-UHFFFAOYSA-N 1 0 245.326 2.299 10 0 BEAERO CC[NH2+]Cc1cnn(C2CCCCC2)c1 ZINC000040538496 170130225 /nfs/dbraw/zinc/13/02/25/170130225.db2.gz FKFCIWVRENASBA-UHFFFAOYSA-N 1 0 207.321 2.498 10 0 BEAERO CC[NH2+]Cc1cnc(-n2cccn2)c(Cl)c1 ZINC000051489111 170130912 /nfs/dbraw/zinc/13/09/12/170130912.db2.gz WLSRIRNWMWPAGN-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1nnc(-c2ccc(CC)cc2)o1 ZINC000050615552 170131254 /nfs/dbraw/zinc/13/12/54/170131254.db2.gz GGZFWNDODGPWSJ-UHFFFAOYSA-N 1 0 231.299 2.409 10 0 BEAERO CC[NH2+]Cc1nc(-n2ccnc2)ccc1Cl ZINC000051489927 170131475 /nfs/dbraw/zinc/13/14/75/170131475.db2.gz BUJNUSPKVRECMJ-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1sc(-c2cnccn2)nc1CC ZINC000082426231 170133034 /nfs/dbraw/zinc/13/30/34/170133034.db2.gz PCPVKKIKNSLRQU-UHFFFAOYSA-N 1 0 248.355 2.272 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1F ZINC000061274552 170139268 /nfs/dbraw/zinc/13/92/68/170139268.db2.gz WRYHFWIMRZRXBN-JTQLQIEISA-N 1 0 238.306 2.177 10 0 BEAERO CC[NH2+][C@@H](C)CN1c2ccccc2CCCC1=O ZINC000043998920 170139278 /nfs/dbraw/zinc/13/92/78/170139278.db2.gz OJLDHHGOJFERSN-LBPRGKRZSA-N 1 0 246.354 2.354 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nc2ccccc2n1C ZINC000061181795 170139816 /nfs/dbraw/zinc/13/98/16/170139816.db2.gz OIVMCGUGUVCMPI-JTQLQIEISA-N 1 0 217.316 2.114 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nc2c(cccc2F)n1C ZINC000061181945 170140385 /nfs/dbraw/zinc/14/03/85/170140385.db2.gz FVEUYSUUJJAUJZ-VIFPVBQESA-N 1 0 235.306 2.253 10 0 BEAERO CC[NH2+][C@@H](C)c1nnc(-c2cccc(C)n2)o1 ZINC000050618715 170142949 /nfs/dbraw/zinc/14/29/49/170142949.db2.gz DLEVFEKTNJDXLM-VIFPVBQESA-N 1 0 232.287 2.111 10 0 BEAERO CC[NH2+][C@@H](CC)c1ccc2c(c1)CC(=O)N2 ZINC000035549916 170143840 /nfs/dbraw/zinc/14/38/40/170143840.db2.gz YDPPTRHYKPOWKF-NSHDSACASA-N 1 0 218.300 2.242 10 0 BEAERO CC[NH2+][C@@H](c1ccc(C)s1)c1nccn1C ZINC000041048665 170147566 /nfs/dbraw/zinc/14/75/66/170147566.db2.gz AWVXBGDQFYYFHN-NSHDSACASA-N 1 0 235.356 2.489 10 0 BEAERO CC[NH2+][C@H]1c2ccc(SCC)cc2NC1=O ZINC000036195014 170149670 /nfs/dbraw/zinc/14/96/70/170149670.db2.gz IFZFRFCPMSRDDY-NSHDSACASA-N 1 0 236.340 2.401 10 0 BEAERO CC[NH2+][C@@H](c1ccncc1)c1cncc(F)c1 ZINC000049576301 170149977 /nfs/dbraw/zinc/14/99/77/170149977.db2.gz LNBROMGWRFUMMO-ZDUSSCGKSA-N 1 0 231.274 2.315 10 0 BEAERO CC[NH2+][C@H](c1nccn1C)c1sccc1C ZINC000041048667 170150112 /nfs/dbraw/zinc/15/01/12/170150112.db2.gz FJBWYHUQPABJBO-JTQLQIEISA-N 1 0 235.356 2.489 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@@H]1N1CCC(C)CC1 ZINC000043806633 170150891 /nfs/dbraw/zinc/15/08/91/170150891.db2.gz DVXOIIILVFUBOK-OLZOCXBDSA-N 1 0 210.365 2.249 10 0 BEAERO CC[NH2+][C@@H]1CCCc2nc(N(C)C)sc21 ZINC000054901303 170151558 /nfs/dbraw/zinc/15/15/58/170151558.db2.gz UHIFWPGIBUOCAX-MRVPVSSYSA-N 1 0 225.361 2.196 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(F)cc2OC)C1 ZINC000049568605 170152509 /nfs/dbraw/zinc/15/25/09/170152509.db2.gz MXSFZWLWPJFIGT-LLVKDONJSA-N 1 0 238.306 2.023 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000049648535 170152680 /nfs/dbraw/zinc/15/26/80/170152680.db2.gz GHQFUGGGPYSNLC-SNVBAGLBSA-N 1 0 238.718 2.055 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(CC)cc2)C1 ZINC000037241536 170152830 /nfs/dbraw/zinc/15/28/30/170152830.db2.gz VJURILOPROYNEW-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@H](C)C2CCCCC2)C1=O ZINC000052340301 170152851 /nfs/dbraw/zinc/15/28/51/170152851.db2.gz GWCOSLTZKUWRCM-DGCLKSJQSA-N 1 0 238.375 2.166 10 0 BEAERO CC[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(F)cc1 ZINC000095091493 170152895 /nfs/dbraw/zinc/15/28/95/170152895.db2.gz NWGDGBWFZREOEM-TZMCWYRMSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(C)c2C)C1=O ZINC000049647805 170153056 /nfs/dbraw/zinc/15/30/56/170153056.db2.gz TVITXTMREFHYGO-GFCCVEGCSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccccc2COC)C1 ZINC000049508989 170153112 /nfs/dbraw/zinc/15/31/12/170153112.db2.gz KBCLBCDDGCQTOJ-CYBMUJFWSA-N 1 0 234.343 2.021 10 0 BEAERO CC[NH2+][C@@H]1CCOC[C@H]1Cc1ccccc1F ZINC000095091521 170153171 /nfs/dbraw/zinc/15/31/71/170153171.db2.gz DKVPSADGTGZNOU-TZMCWYRMSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@@H]1CC[S@](=O)c2c(C)ccc(C)c21 ZINC000040974416 170153403 /nfs/dbraw/zinc/15/34/03/170153403.db2.gz FGXHCGGUUBNRNP-BDJLRTHQSA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@@H]1CCc2c1c(OC)ccc2OC ZINC000042405284 170154319 /nfs/dbraw/zinc/15/43/19/170154319.db2.gz YMLKJZVSTYQANL-SNVBAGLBSA-N 1 0 221.300 2.301 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)Cc1ccccc1 ZINC000062188495 170156833 /nfs/dbraw/zinc/15/68/33/170156833.db2.gz LOPZWEWBQYBSIX-CHWSQXEVSA-N 1 0 248.370 2.122 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2c(cccc2F)n1C ZINC000061181946 170158394 /nfs/dbraw/zinc/15/83/94/170158394.db2.gz FVEUYSUUJJAUJZ-SECBINFHSA-N 1 0 235.306 2.253 10 0 BEAERO CC[NH2+][C@H](C)c1cnc([C@H]2CCOC2)s1 ZINC000054160285 170160002 /nfs/dbraw/zinc/16/00/02/170160002.db2.gz JDLMJPCCHKUQMK-BDAKNGLRSA-N 1 0 226.345 2.318 10 0 BEAERO CC[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000049538294 170160059 /nfs/dbraw/zinc/16/00/59/170160059.db2.gz IFJOOMDYMFHGDM-SECBINFHSA-N 1 0 217.272 2.407 10 0 BEAERO CC[NH2+][C@H](C)c1cnc(C2CC2)nc1C ZINC000054962955 170160460 /nfs/dbraw/zinc/16/04/60/170160460.db2.gz YCUZNEBWFUKGTQ-MRVPVSSYSA-N 1 0 205.305 2.333 10 0 BEAERO CC[NH2+][C@H](CC)C(=O)c1ccc(OC)c(F)c1 ZINC000071549326 170161173 /nfs/dbraw/zinc/16/11/73/170161173.db2.gz PWRWDUBYEHIPPC-LLVKDONJSA-N 1 0 239.290 2.405 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH+]1CC2(C1)CC(F)(F)C2 ZINC000660146522 411545464 /nfs/dbraw/zinc/54/54/64/411545464.db2.gz GYDQSUARPPJDND-NXEZZACHSA-N 1 0 231.286 2.021 10 0 BEAERO CC[NH2+][C@H](CO[C@H]1CCOC1)c1ccccc1 ZINC000104102766 170162468 /nfs/dbraw/zinc/16/24/68/170162468.db2.gz NTNFBYCYLBXAKV-UONOGXRCSA-N 1 0 235.327 2.143 10 0 BEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(C)cc1 ZINC000035556142 170163102 /nfs/dbraw/zinc/16/31/02/170163102.db2.gz XETBMNLARORATK-CQSZACIVSA-N 1 0 229.327 2.427 10 0 BEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@@H]1COCCO1 ZINC000055299916 170163309 /nfs/dbraw/zinc/16/33/09/170163309.db2.gz BQQSAMNZRBMDAC-UONOGXRCSA-N 1 0 235.327 2.061 10 0 BEAERO CC[NH2+][C@H](Cc1cnn(CC)c1)CC(F)(F)F ZINC000050543068 170163590 /nfs/dbraw/zinc/16/35/90/170163590.db2.gz XVTGHVNFMWXRTQ-SNVBAGLBSA-N 1 0 249.280 2.376 10 0 BEAERO CC[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)C1CC1 ZINC000035558561 170163830 /nfs/dbraw/zinc/16/38/30/170163830.db2.gz ZUOLWXNFVGEMTI-AWEZNQCLSA-N 1 0 246.310 2.078 10 0 BEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@@H]1C ZINC000035545938 170163937 /nfs/dbraw/zinc/16/39/37/170163937.db2.gz LZGLFDIRDAKMGY-GMOODISLSA-N 1 0 245.326 2.163 10 0 BEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1C[C@@H]1C ZINC000035556744 170164272 /nfs/dbraw/zinc/16/42/72/170164272.db2.gz NFPAAYZPFUFCBH-GMOODISLSA-N 1 0 246.310 2.428 10 0 BEAERO CC[NH2+][C@H](c1cccc(F)c1)c1cnccn1 ZINC000037536047 170164447 /nfs/dbraw/zinc/16/44/47/170164447.db2.gz BJKWHTAVASWJBZ-CYBMUJFWSA-N 1 0 231.274 2.315 10 0 BEAERO CC[NH2+][C@H](c1cccc(OC)c1)[C@H]1CCOC1 ZINC000104101607 170164455 /nfs/dbraw/zinc/16/44/55/170164455.db2.gz YRWNUYLWMPALMW-GXTWGEPZSA-N 1 0 235.327 2.382 10 0 BEAERO CC[NH2+][C@@H](c1cccs1)c1cncnc1 ZINC000052886961 170164927 /nfs/dbraw/zinc/16/49/27/170164927.db2.gz NZYSJLVVIDRHPG-LLVKDONJSA-N 1 0 219.313 2.237 10 0 BEAERO CC[NH2+][C@H]1CCC[C@@H]1n1nc(C)cc1C ZINC000043994966 170166640 /nfs/dbraw/zinc/16/66/40/170166640.db2.gz PANRRIMJYOVGNM-RYUDHWBXSA-N 1 0 207.321 2.203 10 0 BEAERO CC[NH2+][C@H]1CCC[S@@](=O)c2ccccc21 ZINC000040973539 170166756 /nfs/dbraw/zinc/16/67/56/170166756.db2.gz DPGLLIVATZYEFP-NHYWBVRUSA-N 1 0 223.341 2.239 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(C)cc(C)c2)C1=O ZINC000049647878 170167433 /nfs/dbraw/zinc/16/74/33/170167433.db2.gz DIAJPDSZOFFGCX-ZDUSSCGKSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000037241488 170167877 /nfs/dbraw/zinc/16/78/77/170167877.db2.gz VPJURBQOBKAUBN-JTQLQIEISA-N 1 0 208.280 2.014 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(F)c(C)c2)C1 ZINC000061118395 170167928 /nfs/dbraw/zinc/16/79/28/170167928.db2.gz NZUAPIPHSCLHRC-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(F)c(F)cc2F)C1 ZINC000061094233 170167999 /nfs/dbraw/zinc/16/79/99/170167999.db2.gz RVYFKVWHTURHSE-QMMMGPOBSA-N 1 0 244.260 2.292 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccsc2)C1 ZINC000061363806 170168037 /nfs/dbraw/zinc/16/80/37/170168037.db2.gz JJNRREGKSZDHSO-JQWIXIFHSA-N 1 0 224.373 2.493 10 0 BEAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)CCCOC ZINC000062031197 170168498 /nfs/dbraw/zinc/16/84/98/170168498.db2.gz DYNWJXPWLATRHL-RDBSUJKOSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+][C@H]1CC[S@@](=O)c2c(C)cc(C)cc21 ZINC000040974643 170168611 /nfs/dbraw/zinc/16/86/11/170168611.db2.gz UCRWJDFIRPRYKE-LRDDRELGSA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@H]1CC[S@@](=O)c2ccc(C)cc21 ZINC000040974873 170168786 /nfs/dbraw/zinc/16/87/86/170168786.db2.gz IUMIFEIDZNCFKY-NHYWBVRUSA-N 1 0 223.341 2.157 10 0 BEAERO CC[NH2+][C@H]1CC[S@](=O)c2ccc(C)cc21 ZINC000040974877 170168974 /nfs/dbraw/zinc/16/89/74/170168974.db2.gz IUMIFEIDZNCFKY-XHDPSFHLSA-N 1 0 223.341 2.157 10 0 BEAERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(F)cc1 ZINC000095091492 170169014 /nfs/dbraw/zinc/16/90/14/170169014.db2.gz NWGDGBWFZREOEM-JSGCOSHPSA-N 1 0 237.318 2.383 10 0 BEAERO CCNc1c(C[NH3+])cnc2ccccc21 ZINC000050423083 170171197 /nfs/dbraw/zinc/17/11/97/170171197.db2.gz YEPCHFACWCPXSV-UHFFFAOYSA-N 1 0 201.273 2.125 10 0 BEAERO CCNc1ncccc1C[N@@H+]1CCC[C@H]1C ZINC000052709418 170178687 /nfs/dbraw/zinc/17/86/87/170178687.db2.gz SDOKMRPUHVSAEW-LLVKDONJSA-N 1 0 219.332 2.498 10 0 BEAERO CCOC(=O)C1([NH3+])CCC(C(C)(C)C)CC1 ZINC000037459887 170190304 /nfs/dbraw/zinc/19/03/04/170190304.db2.gz DKMGIVUZQCTRHD-UHFFFAOYSA-N 1 0 227.348 2.483 10 0 BEAERO COC[C@@H](CC[NH2+]CC1CCC(C)CC1)OC ZINC000657555669 411549864 /nfs/dbraw/zinc/54/98/64/411549864.db2.gz VNPSFCPVWRHGBD-JXQTWKCFSA-N 1 0 243.391 2.454 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC000045689277 170208818 /nfs/dbraw/zinc/20/88/18/170208818.db2.gz GCDGYNLYFDOXCF-UHFFFAOYSA-N 1 0 235.327 2.346 10 0 BEAERO CCOC(=O)CC[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000038611815 170211507 /nfs/dbraw/zinc/21/15/07/170211507.db2.gz ZRFQIXZAJFYQED-NWDGAFQWSA-N 1 0 227.348 2.450 10 0 BEAERO CCOC(=O)CC[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000038611814 170211975 /nfs/dbraw/zinc/21/19/75/170211975.db2.gz ZRFQIXZAJFYQED-NEPJUHHUSA-N 1 0 227.348 2.450 10 0 BEAERO CCOC(=O)CC[C@H]([NH3+])c1ccc(OC)cc1 ZINC000037636451 170212018 /nfs/dbraw/zinc/21/20/18/170212018.db2.gz WYMJTBYLQOSKCK-LBPRGKRZSA-N 1 0 237.299 2.038 10 0 BEAERO CCOC(=O)N[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000019421455 170242551 /nfs/dbraw/zinc/24/25/51/170242551.db2.gz WKCSAYSVBQZJAR-LBPRGKRZSA-N 1 0 236.315 2.049 10 0 BEAERO CCOC(=O)[C@@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037459853 170263556 /nfs/dbraw/zinc/26/35/56/170263556.db2.gz IQOZBAVSFTZLKZ-GXFFZTMASA-N 1 0 227.348 2.483 10 0 BEAERO CCOC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000049954619 170269241 /nfs/dbraw/zinc/26/92/41/170269241.db2.gz FOVGNNITMZKADB-ZJUUUORDSA-N 1 0 237.299 2.037 10 0 BEAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000044544713 170273227 /nfs/dbraw/zinc/27/32/27/170273227.db2.gz GABUZLJRDRBCPL-JTQLQIEISA-N 1 0 241.718 2.021 10 0 BEAERO CCOC(=O)[C@]1(c2ccccc2)CCC[N@H+](C)C1 ZINC000005857173 170286795 /nfs/dbraw/zinc/28/67/95/170286795.db2.gz KYWYUHIJUSFICD-OAHLLOKOSA-N 1 0 247.338 2.213 10 0 BEAERO CCOCCC[NH2+]C[C@@H](C)n1nc(C)cc1C ZINC000053520704 170380480 /nfs/dbraw/zinc/38/04/80/170380480.db2.gz WUJLKZZCIRMUIX-CYBMUJFWSA-N 1 0 239.363 2.077 10 0 BEAERO CCOCCC[NH2+]CCN(C)C1CCCCC1 ZINC000053344100 170380862 /nfs/dbraw/zinc/38/08/62/170380862.db2.gz HXMJPGSLQAJIBC-UHFFFAOYSA-N 1 0 242.407 2.267 10 0 BEAERO CCOCCC[NH2+]Cc1cccn1CC ZINC000085608433 170381420 /nfs/dbraw/zinc/38/14/20/170381420.db2.gz RYJWPYFJYVORGQ-UHFFFAOYSA-N 1 0 210.321 2.024 10 0 BEAERO CCOCCCn1c2ccccc2nc1[C@@H](C)[NH3+] ZINC000040163837 170385863 /nfs/dbraw/zinc/38/58/63/170385863.db2.gz GDSZQXBRDAJTHQ-LLVKDONJSA-N 1 0 247.342 2.483 10 0 BEAERO CC(C)=CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000660805583 411640105 /nfs/dbraw/zinc/64/01/05/411640105.db2.gz DCPOTOSCEKZZHA-IHRRRGAJSA-N 1 0 223.360 2.436 10 0 BEAERO CCOCCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000035063563 170423486 /nfs/dbraw/zinc/42/34/86/170423486.db2.gz CRIQIXLFVNRBJC-UHFFFAOYSA-N 1 0 247.338 2.479 10 0 BEAERO CN1C[C@@H](C[NH2+]CC2CCCCCC2)CC1=O ZINC000657696557 411581341 /nfs/dbraw/zinc/58/13/41/411581341.db2.gz KPSLIJCLAXFEDS-CYBMUJFWSA-N 1 0 238.375 2.025 10 0 BEAERO CCc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657808585 411600939 /nfs/dbraw/zinc/60/09/39/411600939.db2.gz MMLGGFAJINPSAS-UHFFFAOYSA-N 1 0 219.328 2.110 10 0 BEAERO OCC1CC([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000657811415 411602770 /nfs/dbraw/zinc/60/27/70/411602770.db2.gz WTLRLYIZOZJNNQ-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO OCC1CC([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000657811154 411603057 /nfs/dbraw/zinc/60/30/57/411603057.db2.gz RTYDHDZZENMVOX-UHFFFAOYSA-N 1 0 241.281 2.485 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+]C2CC(CO)C2)C1 ZINC000657812317 411603464 /nfs/dbraw/zinc/60/34/64/411603464.db2.gz HVBXTNZDRXILAB-IGJPJIBNSA-N 1 0 211.349 2.316 10 0 BEAERO OCC1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000657813439 411603787 /nfs/dbraw/zinc/60/37/87/411603787.db2.gz YCUVECDIUUXDFY-UHFFFAOYSA-N 1 0 231.748 2.262 10 0 BEAERO CC(C)C1([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000660638779 411610252 /nfs/dbraw/zinc/61/02/52/411610252.db2.gz GBUCRKWPGQITEN-SECBINFHSA-N 1 0 219.275 2.189 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657844537 411610432 /nfs/dbraw/zinc/61/04/32/411610432.db2.gz HSGLDUROXONJJR-QJPTWQEYSA-N 1 0 229.389 2.165 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000657848037 411611863 /nfs/dbraw/zinc/61/18/63/411611863.db2.gz ZWBJOVVJRRKQRB-QJPTWQEYSA-N 1 0 209.333 2.212 10 0 BEAERO CCO[C@@H](C[NH3+])CO[C@H]1CCCc2ccccc21 ZINC000062740304 170478325 /nfs/dbraw/zinc/47/83/25/170478325.db2.gz PXASCLCQDFOMKG-ZFWWWQNUSA-N 1 0 249.354 2.444 10 0 BEAERO CCCc1nccnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663450369 411659016 /nfs/dbraw/zinc/65/90/16/411659016.db2.gz YBJQVKSCHJVPSO-LLVKDONJSA-N 1 0 246.358 2.078 10 0 BEAERO CCOc1cc(CC[NH3+])ccc1OC(C)C ZINC000031892877 170520903 /nfs/dbraw/zinc/52/09/03/170520903.db2.gz HMLINWDGQQSOHC-UHFFFAOYSA-N 1 0 223.316 2.374 10 0 BEAERO CCOc1cc(CC[C@@H](C)[NH3+])ccc1O ZINC000062153507 170521324 /nfs/dbraw/zinc/52/13/24/170521324.db2.gz RGWHPCSWQYPUSS-SECBINFHSA-N 1 0 209.289 2.071 10 0 BEAERO O[C@@H]1CCC[C@H](C[NH2+]C2(C3CCC3)CC2)C1 ZINC000660919429 411672297 /nfs/dbraw/zinc/67/22/97/411672297.db2.gz GFXYLKANOPZSGO-WCQYABFASA-N 1 0 223.360 2.460 10 0 BEAERO O[C@H]1CCC[C@@H](C[NH2+]C2(C3CCC3)CC2)C1 ZINC000660919431 411673318 /nfs/dbraw/zinc/67/33/18/411673318.db2.gz GFXYLKANOPZSGO-YPMHNXCESA-N 1 0 223.360 2.460 10 0 BEAERO O[C@H]1CCC[C@H](C[NH2+]C2(C3CCC3)CC2)C1 ZINC000660919425 411673343 /nfs/dbraw/zinc/67/33/43/411673343.db2.gz GFXYLKANOPZSGO-AAEUAGOBSA-N 1 0 223.360 2.460 10 0 BEAERO CCOc1ccc(C2([NH3+])CCOCC2)cc1 ZINC000036906463 170540851 /nfs/dbraw/zinc/54/08/51/170540851.db2.gz RPLDRLIRUWVEIO-UHFFFAOYSA-N 1 0 221.300 2.050 10 0 BEAERO C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000071400439 411676920 /nfs/dbraw/zinc/67/69/20/411676920.db2.gz XEQVTJYALJOVNR-SMDDNHRTSA-N 1 0 246.354 2.381 10 0 BEAERO C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000071400438 411677060 /nfs/dbraw/zinc/67/70/60/411677060.db2.gz XEQVTJYALJOVNR-RISCZKNCSA-N 1 0 246.354 2.381 10 0 BEAERO CCOc1ccc([C@@H](O)C[NH+](CC)CC)cc1 ZINC000019784839 170560030 /nfs/dbraw/zinc/56/00/30/170560030.db2.gz XOGWEINJBMJXKZ-AWEZNQCLSA-N 1 0 237.343 2.461 10 0 BEAERO CCOc1ccc([C@H]([NH3+])[C@H]2CCOC2)cc1 ZINC000040942001 170562871 /nfs/dbraw/zinc/56/28/71/170562871.db2.gz JUSMYCKGUHCYBH-AAEUAGOBSA-N 1 0 221.300 2.122 10 0 BEAERO CCOc1ccc([C@H](CC[NH3+])OC)cc1 ZINC000049814612 170563503 /nfs/dbraw/zinc/56/35/03/170563503.db2.gz PIQMCVUYSPISAL-LBPRGKRZSA-N 1 0 209.289 2.122 10 0 BEAERO CCOc1ccc([C@H]([NH3+])[C@@H]2CCCO2)cc1 ZINC000019967431 170563558 /nfs/dbraw/zinc/56/35/58/170563558.db2.gz GDTXCZKNXWTUED-STQMWFEESA-N 1 0 221.300 2.264 10 0 BEAERO CCOc1ccc([C@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000041265943 170564260 /nfs/dbraw/zinc/56/42/60/170564260.db2.gz RIMBMWYSSWTIOS-KBPBESRZSA-N 1 0 235.327 2.261 10 0 BEAERO CCOc1cccc([C@@H](O)[C@@H]([NH3+])CC(C)C)c1 ZINC000054929358 170584552 /nfs/dbraw/zinc/58/45/52/170584552.db2.gz DALGHGDZQJJFGL-UONOGXRCSA-N 1 0 237.343 2.492 10 0 BEAERO CCOc1cccc([C@@H](O)C[NH2+]CC(C)C)c1 ZINC000033466136 170584611 /nfs/dbraw/zinc/58/46/11/170584611.db2.gz GZFZUKUPHMWMRD-AWEZNQCLSA-N 1 0 237.343 2.364 10 0 BEAERO C[C@H]1OCC[C@H]1Nc1nccc2c(N)cccc21 ZINC000663755547 411739323 /nfs/dbraw/zinc/73/93/23/411739323.db2.gz JOIGSGNAZNYWQL-NOZJJQNGSA-N 1 0 243.310 2.406 10 0 BEAERO CCOc1ccccc1[C@@H](C)N1CC[NH2+]CC1 ZINC000022118499 170597718 /nfs/dbraw/zinc/59/77/18/170597718.db2.gz LHYRPFVYLYSDPU-GFCCVEGCSA-N 1 0 234.343 2.052 10 0 BEAERO CCCc1nccnc1NCC1([NH+](C)C)CCC1 ZINC000663832953 411755709 /nfs/dbraw/zinc/75/57/09/411755709.db2.gz CFZFSRVCJWNVTH-UHFFFAOYSA-N 1 0 248.374 2.325 10 0 BEAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])C(C)(C)C ZINC000133448667 411760621 /nfs/dbraw/zinc/76/06/21/411760621.db2.gz XBRHFDUYZCGIGP-SECBINFHSA-N 1 0 214.353 2.055 10 0 BEAERO CCSCC[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000160160066 170641917 /nfs/dbraw/zinc/64/19/17/170641917.db2.gz NGIIZKFMMMDWEN-SNVBAGLBSA-N 1 0 241.404 2.350 10 0 BEAERO CCSCc1ccc(C(N)=[NH2+])cc1F ZINC000019870378 170644645 /nfs/dbraw/zinc/64/46/45/170644645.db2.gz JTNFAANCIKZWIT-UHFFFAOYSA-N 1 0 212.293 2.363 10 0 BEAERO CC[C@@H](C)N(CCOC)c1ccc(C(N)=[NH2+])cc1 ZINC000042583930 170731052 /nfs/dbraw/zinc/73/10/52/170731052.db2.gz VANJDZNVCDUWKZ-LLVKDONJSA-N 1 0 249.358 2.222 10 0 BEAERO CC[C@@H](C)[NH2+][C@@](C)(CCc1ccccc1)C(N)=O ZINC000038065332 170756769 /nfs/dbraw/zinc/75/67/69/170756769.db2.gz FNEGOEXIEUGFBC-DOMZBBRYSA-N 1 0 248.370 2.251 10 0 BEAERO CC[C@@H](C)Oc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000051781091 170766655 /nfs/dbraw/zinc/76/66/55/170766655.db2.gz ONGNFWCYQBWAEL-NXEZZACHSA-N 1 0 236.315 2.150 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000219730984 411874013 /nfs/dbraw/zinc/87/40/13/411874013.db2.gz XEMWEZRUPFQHHY-OPRDCNLKSA-N 1 0 237.265 2.174 10 0 BEAERO CC(C)(O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662044477 411964283 /nfs/dbraw/zinc/96/42/83/411964283.db2.gz OASOXLLCWACELK-LBPRGKRZSA-N 1 0 211.349 2.269 10 0 BEAERO CC[C@@H]([NH3+])Cc1cc2c(c(Cl)c1)OCO2 ZINC000036778794 170865973 /nfs/dbraw/zinc/86/59/73/170865973.db2.gz XHHAHMTZFMVBRV-MRVPVSSYSA-N 1 0 227.691 2.349 10 0 BEAERO CCn1c(C)nnc1C[NH2+]C1(CC(C)C)CC1 ZINC000662067829 411970037 /nfs/dbraw/zinc/97/00/37/411970037.db2.gz DAFUYVABVOYVIF-UHFFFAOYSA-N 1 0 236.363 2.275 10 0 BEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1OC)n1cccn1 ZINC000043098642 170868796 /nfs/dbraw/zinc/86/87/96/170868796.db2.gz LKHWEJPGIPEELY-OCCSQVGLSA-N 1 0 245.326 2.218 10 0 BEAERO CC[C@@H]([NH3+])[C@](O)(c1cccs1)C(F)(F)F ZINC000062784770 170868841 /nfs/dbraw/zinc/86/88/41/170868841.db2.gz PLDGHWSDAKNDGN-SVRRBLITSA-N 1 0 239.262 2.235 10 0 BEAERO CC[C@@H]([NH3+])[C@H](c1cccc(OC)c1)n1cccn1 ZINC000043028721 170869291 /nfs/dbraw/zinc/86/92/91/170869291.db2.gz KPVQUAODMFHWCZ-KGLIPLIRSA-N 1 0 245.326 2.218 10 0 BEAERO CC[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000020265017 170888708 /nfs/dbraw/zinc/88/87/08/170888708.db2.gz UUDRHGIFGVILMQ-SNVBAGLBSA-N 1 0 207.273 2.128 10 0 BEAERO Cc1cc(NC2CC(CO)C2)c2ccccc2[nH+]1 ZINC000664646538 412005373 /nfs/dbraw/zinc/00/53/73/412005373.db2.gz XRZCRLTXBHIFKS-UHFFFAOYSA-N 1 0 242.322 2.148 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CN2CCC1CC2)C(C)C ZINC000037211661 170914417 /nfs/dbraw/zinc/91/44/17/170914417.db2.gz KTAOVVFFEIBOOA-OLZOCXBDSA-N 1 0 210.365 2.105 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000134359541 170960536 /nfs/dbraw/zinc/96/05/36/170960536.db2.gz DBRCTMZLYFVKEL-IJLUTSLNSA-N 1 0 226.364 2.151 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000348167694 171000631 /nfs/dbraw/zinc/00/06/31/171000631.db2.gz QHAHYYMUMDGJJJ-FRRDWIJNSA-N 1 0 243.391 2.331 10 0 BEAERO CC[C@@H]1CCN(Cc2ncccc2C)CCC[NH2+]1 ZINC000071345059 171013443 /nfs/dbraw/zinc/01/34/43/171013443.db2.gz JFMSAEAONXFAAE-CQSZACIVSA-N 1 0 247.386 2.354 10 0 BEAERO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(CC)C1 ZINC000336732102 171061171 /nfs/dbraw/zinc/06/11/71/171061171.db2.gz LCSJJMLSWAFDKQ-FRRDWIJNSA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CC)C[NH2+]1 ZINC000095642335 171067470 /nfs/dbraw/zinc/06/74/70/171067470.db2.gz CDKIKMMLXSNKCO-GHMZBOCLSA-N 1 0 242.363 2.384 10 0 BEAERO CC[C@@H]1C[N@@H+](C2CCCCCC2)CCN1 ZINC000083060249 171076679 /nfs/dbraw/zinc/07/66/79/171076679.db2.gz HFBBDIYBUAZOJG-GFCCVEGCSA-N 1 0 210.365 2.393 10 0 BEAERO CC[C@@H]1CN(C[C@H]([NH3+])c2ccccc2C)CCO1 ZINC000036769668 171086553 /nfs/dbraw/zinc/08/65/53/171086553.db2.gz WYQOZMWJTYHZPS-HIFRSBDPSA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccccc2C)CCO1 ZINC000036769406 171094923 /nfs/dbraw/zinc/09/49/23/171094923.db2.gz RNFSPDWKSYWKHO-HIFRSBDPSA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C(C)(C)C ZINC000083084988 171101063 /nfs/dbraw/zinc/10/10/63/171101063.db2.gz GAIOBBAIHFBYPR-NEPJUHHUSA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccncc1 ZINC000068695384 171101294 /nfs/dbraw/zinc/10/12/94/171101294.db2.gz YAHKGMDYCBDTPZ-HUUCEWRRSA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1[C@@H](C)c1ccccc1 ZINC000083086459 171102054 /nfs/dbraw/zinc/10/20/54/171102054.db2.gz MOZFWKGTECVQQK-GXTWGEPZSA-N 1 0 218.344 2.431 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H]1c1ccc2c(c1)OCO2 ZINC000039100997 171102083 /nfs/dbraw/zinc/10/20/83/171102083.db2.gz GTYJJZSSXAIPFJ-PELKAZGASA-N 1 0 205.257 2.086 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccccc2OC)C[NH2+]1 ZINC000036986293 171114299 /nfs/dbraw/zinc/11/42/99/171114299.db2.gz FQGOSVGDJSCOBV-MFKMUULPSA-N 1 0 221.300 2.135 10 0 BEAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](C)CC[NH2+]C(C)C ZINC000052571275 171114521 /nfs/dbraw/zinc/11/45/21/171114521.db2.gz YYTOYAJGUHSYRE-BFHYXJOUSA-N 1 0 242.407 2.262 10 0 BEAERO CC[C@@]1(C(=O)N(C)[C@H](C)CC(C)C)CC[NH2+]C1 ZINC000062895126 171194503 /nfs/dbraw/zinc/19/45/03/171194503.db2.gz XZEKYZQMEAMRTG-TZMCWYRMSA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@@](O)(C[NH2+]C1CC1)c1ccccc1OC ZINC000033465523 171195131 /nfs/dbraw/zinc/19/51/31/171195131.db2.gz RIQXQBKPPSJYOR-CQSZACIVSA-N 1 0 235.327 2.045 10 0 BEAERO CC[C@@]1(c2nc(-c3ccccc3)n[nH]2)CC[NH2+]C1 ZINC000062920809 171216284 /nfs/dbraw/zinc/21/62/84/171216284.db2.gz UDICIABZLCKBTF-CQSZACIVSA-N 1 0 242.326 2.113 10 0 BEAERO CC[C@H](C(=O)N[C@@H](C)c1ccc(C)o1)[NH+](C)C ZINC000124796104 171232138 /nfs/dbraw/zinc/23/21/38/171232138.db2.gz GAZZISYFTCJVRH-WDEREUQCSA-N 1 0 238.331 2.105 10 0 BEAERO CC[C@H](C)CN(C)C(=O)C1CCC(C[NH3+])CC1 ZINC000055146914 171268836 /nfs/dbraw/zinc/26/88/36/171268836.db2.gz GKUMKKJISLSJAT-HIFPTAJRSA-N 1 0 240.391 2.256 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000336743736 171284929 /nfs/dbraw/zinc/28/49/29/171284929.db2.gz UFJGLBIVKYYHCQ-RYUDHWBXSA-N 1 0 221.348 2.081 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000309611185 171285937 /nfs/dbraw/zinc/28/59/37/171285937.db2.gz AGLSQLBWXGSCFB-RYUDHWBXSA-N 1 0 221.348 2.081 10 0 BEAERO CC[C@H](C)C[C@H](CC)[NH2+]CCCn1ccnn1 ZINC000126412495 171299125 /nfs/dbraw/zinc/29/91/25/171299125.db2.gz XGZGQZWSMJIRKP-STQMWFEESA-N 1 0 238.379 2.473 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055126172 171311692 /nfs/dbraw/zinc/31/16/92/171311692.db2.gz LCAXCKWBWIGIGE-RVMXOQNASA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000181131115 171320655 /nfs/dbraw/zinc/32/06/55/171320655.db2.gz BEAGOYFZLKJDCJ-QWRGUYRKSA-N 1 0 207.321 2.008 10 0 BEAERO CC[C@H](C)NC(=O)C[NH2+]C1CCC(C)CC1 ZINC000020050107 171326391 /nfs/dbraw/zinc/32/63/91/171326391.db2.gz ORMWDXOBKYNDRQ-CXQJBGSLSA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1cccs1 ZINC000057533475 171327360 /nfs/dbraw/zinc/32/73/60/171327360.db2.gz OTVPVEVWCDTJEC-VHSXEESVSA-N 1 0 240.372 2.095 10 0 BEAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])C1CCCCC1 ZINC000076622417 171327507 /nfs/dbraw/zinc/32/75/07/171327507.db2.gz WFBYRDWKRYIAOM-WCQYABFASA-N 1 0 240.391 2.446 10 0 BEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000057537290 171327644 /nfs/dbraw/zinc/32/76/44/171327644.db2.gz MWWANUSMKOHBSW-JSGCOSHPSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1cccc(C)c1 ZINC000057537277 171327744 /nfs/dbraw/zinc/32/77/44/171327744.db2.gz NTLILDDLUSYVKI-GXTWGEPZSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])C1CCCCC1 ZINC000076622335 171333665 /nfs/dbraw/zinc/33/36/65/171333665.db2.gz YTFHHDGKRBYPHY-AAEUAGOBSA-N 1 0 240.391 2.446 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1cccc(C)c1 ZINC000076634125 171333716 /nfs/dbraw/zinc/33/37/16/171333716.db2.gz FAVMNYFGFPXDBT-JSGCOSHPSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1ccccc1C ZINC000076634116 171333977 /nfs/dbraw/zinc/33/39/77/171333977.db2.gz LREVPXATHWEIJI-JSGCOSHPSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000035693393 171335184 /nfs/dbraw/zinc/33/51/84/171335184.db2.gz PQJKPXHIFFJPSW-SRVKXCTJSA-N 1 0 249.358 2.035 10 0 BEAERO CC[C@H](C)[NH2+]CC[C@H](O)c1ccc(C)c(N)c1 ZINC000098126179 171340411 /nfs/dbraw/zinc/34/04/11/171340411.db2.gz OHCRDLKEUWADNR-FZMZJTMJSA-N 1 0 236.359 2.389 10 0 BEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1cc(C)ccc1C ZINC000038065559 171346985 /nfs/dbraw/zinc/34/69/85/171346985.db2.gz HTEFIOPRAMRWAB-SWLSCSKDSA-N 1 0 248.370 2.392 10 0 BEAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C)cc1C ZINC000038064891 171348052 /nfs/dbraw/zinc/34/80/52/171348052.db2.gz KVPGMAGJCMUWNE-AAEUAGOBSA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@H](C)Oc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000051781092 171356010 /nfs/dbraw/zinc/35/60/10/171356010.db2.gz ONGNFWCYQBWAEL-VHSXEESVSA-N 1 0 236.315 2.150 10 0 BEAERO CC[C@H](C)Oc1cc2c(cc1C[NH2+]C)OCO2 ZINC000042874078 171356025 /nfs/dbraw/zinc/35/60/25/171356025.db2.gz CKPOBSGONPPVQT-VIFPVBQESA-N 1 0 237.299 2.312 10 0 BEAERO CC[C@H](C)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000042558764 171361385 /nfs/dbraw/zinc/36/13/85/171361385.db2.gz OTBVIPGNJGXBON-DMOGRIERSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152086 171364995 /nfs/dbraw/zinc/36/49/95/171364995.db2.gz BRCZCBFVMLURHN-DMOGRIERSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])CN1CCc2sccc2C1 ZINC000020072163 171372726 /nfs/dbraw/zinc/37/27/26/171372726.db2.gz JXOZQKLXFSTKNZ-JQWIXIFHSA-N 1 0 238.400 2.480 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000360014114 171391517 /nfs/dbraw/zinc/39/15/17/171391517.db2.gz ILBKASAITFPKFN-SRVKXCTJSA-N 1 0 221.348 2.222 10 0 BEAERO CC[C@H](C)[C@H](CN)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615233 171392304 /nfs/dbraw/zinc/39/23/04/171392304.db2.gz FKVVDBQSEQYHLP-OBJOEFQTSA-N 1 0 242.407 2.107 10 0 BEAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488533 171398690 /nfs/dbraw/zinc/39/86/90/171398690.db2.gz OWXBPYIVSDADSM-UFBFGSQYSA-N 1 0 233.315 2.163 10 0 BEAERO CC[C@H](NC(=O)[C@H](CC)[NH2+]C)c1ccccc1 ZINC000662378191 412131693 /nfs/dbraw/zinc/13/16/93/412131693.db2.gz DONOCRMJCRHHIY-STQMWFEESA-N 1 0 234.343 2.252 10 0 BEAERO CC[C@H]([NH3+])CCOc1ccc(OC)cc1 ZINC000032012308 171483264 /nfs/dbraw/zinc/48/32/64/171483264.db2.gz TZWQIFNDJHLQBM-JTQLQIEISA-N 1 0 209.289 2.201 10 0 BEAERO CC[C@H]([NH3+])CNc1ccnc(C(F)(F)F)c1 ZINC000304313079 171485280 /nfs/dbraw/zinc/48/52/80/171485280.db2.gz QUGOUONLPKETLF-ZETCQYMHSA-N 1 0 233.237 2.250 10 0 BEAERO CC[C@H]([NH3+])c1ccc(OCCOC)cc1 ZINC000015014423 171490568 /nfs/dbraw/zinc/49/05/68/171490568.db2.gz RCKKRUFSOXGHSH-LBPRGKRZSA-N 1 0 209.289 2.122 10 0 BEAERO CC[C@H](NC(=O)CCC[NH3+])c1cccs1 ZINC000049532099 171497345 /nfs/dbraw/zinc/49/73/45/171497345.db2.gz DCSAMCYZYLIUGO-VIFPVBQESA-N 1 0 226.345 2.054 10 0 BEAERO CC[C@H]([NH2+]C)c1nnc(-c2scnc2C)o1 ZINC000061511697 171514604 /nfs/dbraw/zinc/51/46/04/171514604.db2.gz UKLSWYPGIVFKNO-ZETCQYMHSA-N 1 0 238.316 2.172 10 0 BEAERO CC[C@H]([NH2+]C[C@@]1(OC)CCOC1)C(C)(C)C ZINC000310008716 171526014 /nfs/dbraw/zinc/52/60/14/171526014.db2.gz HUMSKOIJFMJWTP-AAEUAGOBSA-N 1 0 229.364 2.206 10 0 BEAERO CC[C@H]([NH2+]Cc1ccccc1C(N)=O)C(C)C ZINC000042589297 171531282 /nfs/dbraw/zinc/53/12/82/171531282.db2.gz FQFFZLKHFXIGTF-ZDUSSCGKSA-N 1 0 234.343 2.310 10 0 BEAERO CC[C@H](O)C[NH+]1CCC(c2nccs2)CC1 ZINC000373952989 171565743 /nfs/dbraw/zinc/56/57/43/171565743.db2.gz AHVSXEVMMMCBKR-NSHDSACASA-N 1 0 240.372 2.093 10 0 BEAERO CC[C@H]1CCCCN1C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062890289 171605347 /nfs/dbraw/zinc/60/53/47/171605347.db2.gz LOWHZTWGIVFJOS-JSGCOSHPSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@H]1CCCN(C(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000036170095 171614152 /nfs/dbraw/zinc/61/41/52/171614152.db2.gz UAODQFWSFBXOMU-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055087507 171614295 /nfs/dbraw/zinc/61/42/95/171614295.db2.gz CUBSCMUFQRIHLL-AVGNSLFASA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@H]1CCCN1c1ccc(C[NH2+]C)cn1 ZINC000051398697 171622413 /nfs/dbraw/zinc/62/24/13/171622413.db2.gz ZYDLBBCWSAOQHE-LBPRGKRZSA-N 1 0 219.332 2.180 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000662733703 412288208 /nfs/dbraw/zinc/28/82/08/412288208.db2.gz JWPAHFGCTYYYSQ-WVMKXHBISA-N 1 0 238.375 2.149 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(CC)Cc1ccc(C)cc1 ZINC000662862403 412328335 /nfs/dbraw/zinc/32/83/35/412328335.db2.gz NIIVEHWLRKNUNK-CQSZACIVSA-N 1 0 248.370 2.471 10 0 BEAERO CC[C@H]1[NH2+]CCc2cc(OC)cc(OC)c21 ZINC000052095451 171682588 /nfs/dbraw/zinc/68/25/88/171682588.db2.gz RZRLAWOWVDYSIY-LLVKDONJSA-N 1 0 221.300 2.301 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336732620 171703926 /nfs/dbraw/zinc/70/39/26/171703926.db2.gz LNVXGINSPONGPR-TUAOUCFPSA-N 1 0 217.328 2.265 10 0 BEAERO CC[C@]1(c2ccc(Cl)cc2)C[C@]1(C[NH3+])CO ZINC000062670228 171726099 /nfs/dbraw/zinc/72/60/99/171726099.db2.gz LAMZEGQPPYJCLK-QWHCGFSZSA-N 1 0 239.746 2.329 10 0 BEAERO CCc1c(C)nn([C@H](C[NH3+])C(C)C)c1C ZINC000052592076 171741188 /nfs/dbraw/zinc/74/11/88/171741188.db2.gz GICQQBBIYVUNAA-GFCCVEGCSA-N 1 0 209.337 2.218 10 0 BEAERO CCCc1nccnc1NC[C@@]1(C)CCC[NH2+]C1 ZINC000663272391 412404677 /nfs/dbraw/zinc/40/46/77/412404677.db2.gz NGUWUKBVWANFRZ-AWEZNQCLSA-N 1 0 248.374 2.231 10 0 BEAERO CCCc1nccnc1NCC1([NH3+])CCCC1 ZINC000663275452 412405047 /nfs/dbraw/zinc/40/50/47/412405047.db2.gz XCJRFHFNDYZEEI-UHFFFAOYSA-N 1 0 234.347 2.113 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1ncnc2c1CCCC2 ZINC000663276149 412405536 /nfs/dbraw/zinc/40/55/36/412405536.db2.gz MARBNYSUYGXCFF-GFCCVEGCSA-N 1 0 248.374 2.141 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1nc2ccccc2n1C ZINC000663276436 412406372 /nfs/dbraw/zinc/40/63/72/412406372.db2.gz XQLPDHSLULBGQQ-LLVKDONJSA-N 1 0 246.358 2.359 10 0 BEAERO C[NH2+]C[C@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000663279920 412408177 /nfs/dbraw/zinc/40/81/77/412408177.db2.gz VLOXVHMGFCVAPY-ZETCQYMHSA-N 1 0 233.237 2.120 10 0 BEAERO CCc1ccc(C[NH2+]CCCn2ccnn2)cc1 ZINC000126419087 171805689 /nfs/dbraw/zinc/80/56/89/171805689.db2.gz UMHNDSQJZJNEOJ-UHFFFAOYSA-N 1 0 244.342 2.020 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000225810246 487623326 /nfs/dbraw/zinc/62/33/26/487623326.db2.gz YMBLLNQAQCQWJK-AGIUHOORSA-N 1 0 240.391 2.302 10 0 BEAERO CCc1ccc(N2CC[NH2+]C[C@H](C)C2)cc1 ZINC000049661459 171816801 /nfs/dbraw/zinc/81/68/01/171816801.db2.gz WDFJUPWYGSNTMW-LBPRGKRZSA-N 1 0 218.344 2.295 10 0 BEAERO CCc1ccc(OC)c([C@H](O)C[NH2+]C2CC2)c1 ZINC000071545989 171825729 /nfs/dbraw/zinc/82/57/29/171825729.db2.gz ZPXIQDVETNKWKF-CYBMUJFWSA-N 1 0 235.327 2.043 10 0 BEAERO CCc1ccc([C@@H]([NH3+])[C@H]2CCOC2)cc1 ZINC000040942058 171834811 /nfs/dbraw/zinc/83/48/11/171834811.db2.gz DYZHVJWPIDCOLT-QWHCGFSZSA-N 1 0 205.301 2.285 10 0 BEAERO CCc1ccc([C@@H](O)C2CC[NH2+]CC2)cc1 ZINC000011630773 171835127 /nfs/dbraw/zinc/83/51/27/171835127.db2.gz QCCQWTRJPARVLP-CQSZACIVSA-N 1 0 219.328 2.282 10 0 BEAERO CCc1ccc([C@H]([NH3+])COCCCOC)cc1 ZINC000037747195 171842396 /nfs/dbraw/zinc/84/23/96/171842396.db2.gz NWNGQNNCRLYROK-CQSZACIVSA-N 1 0 237.343 2.302 10 0 BEAERO CCc1cccc(N2CC[NH2+][C@@H](C)CC2)c1 ZINC000049661658 171858568 /nfs/dbraw/zinc/85/85/68/171858568.db2.gz JAGYNOIKMSLHSK-LBPRGKRZSA-N 1 0 218.344 2.437 10 0 BEAERO CCc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000104223862 171861022 /nfs/dbraw/zinc/86/10/22/171861022.db2.gz OGSSBGUBEIWUQA-GXFFZTMASA-N 1 0 232.327 2.043 10 0 BEAERO CCc1csc(N[C@H](C)CCCC[NH3+])n1 ZINC000336714243 171929347 /nfs/dbraw/zinc/92/93/47/171929347.db2.gz WAJIDWPGTPMLFX-SECBINFHSA-N 1 0 227.377 2.057 10 0 BEAERO CCc1csc(OCC2CC[NH2+]CC2)n1 ZINC000061895095 171933560 /nfs/dbraw/zinc/93/35/60/171933560.db2.gz RFWJECMFFVGRCZ-UHFFFAOYSA-N 1 0 226.345 2.084 10 0 BEAERO CCc1nc([C@@H]([NH3+])C2CCOCC2)sc1C ZINC000052179415 172002885 /nfs/dbraw/zinc/00/28/85/172002885.db2.gz VTEATWNJLSSZTL-NSHDSACASA-N 1 0 240.372 2.440 10 0 BEAERO CCc1[nH+]c2cc(N)ccc2n1C[C@H]1CCOC1 ZINC000061148342 172010035 /nfs/dbraw/zinc/01/00/35/172010035.db2.gz BZQFNFLOOMAXDT-SNVBAGLBSA-N 1 0 245.326 2.217 10 0 BEAERO CCc1nc2ccccc2n1C[C@@H]1CC[NH2+]C1 ZINC000062807710 172013314 /nfs/dbraw/zinc/01/33/14/172013314.db2.gz YFSZVNKUQGDBMN-LLVKDONJSA-N 1 0 229.327 2.208 10 0 BEAERO CCc1ncc2c(n1)CC(C)(C)C[C@@H]2[NH3+] ZINC000050094198 172023915 /nfs/dbraw/zinc/02/39/15/172023915.db2.gz JQAJYNXTFFOUSJ-VIFPVBQESA-N 1 0 205.305 2.011 10 0 BEAERO CCc1nccn1[C@@H]([C@H](C)[NH3+])C(C)(C)C ZINC000043295092 172028622 /nfs/dbraw/zinc/02/86/22/172028622.db2.gz SDODAGVXDPROHW-ONGXEEELSA-N 1 0 209.337 2.380 10 0 BEAERO CCc1nccn1[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042419730 172028962 /nfs/dbraw/zinc/02/89/62/172028962.db2.gz WCRCZJINVLDLRI-QWRGUYRKSA-N 1 0 207.321 2.278 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1ccccc1F ZINC000043046434 172029287 /nfs/dbraw/zinc/02/92/87/172029287.db2.gz MCEXAJRWZFLWRE-GFCCVEGCSA-N 1 0 233.290 2.133 10 0 BEAERO CCc1nccn1[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042419621 172029481 /nfs/dbraw/zinc/02/94/81/172029481.db2.gz JVWZJRRXJXKBCM-MNOVXSKESA-N 1 0 207.321 2.136 10 0 BEAERO CCc1nccn1[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043124266 172029944 /nfs/dbraw/zinc/02/99/44/172029944.db2.gz OIZROEMEJNARAH-BXKDBHETSA-N 1 0 235.356 2.444 10 0 BEAERO CCn1c2cc(C)ccc2cc(C[NH2+]C)c1=O ZINC000039286964 172131743 /nfs/dbraw/zinc/13/17/43/172131743.db2.gz DUAVCNVJTRJVRZ-UHFFFAOYSA-N 1 0 230.311 2.049 10 0 BEAERO CCn1c(C)[nH+]c(-c2ccccc2OC)c1N ZINC000103499886 172136988 /nfs/dbraw/zinc/13/69/88/172136988.db2.gz VDTIMYUFCOTUOJ-UHFFFAOYSA-N 1 0 231.299 2.469 10 0 BEAERO CCn1c(CCCCCC[NH3+])nnc1SC ZINC000006508487 172143463 /nfs/dbraw/zinc/14/34/63/172143463.db2.gz BHONIZZVJOICAS-UHFFFAOYSA-N 1 0 242.392 2.082 10 0 BEAERO CCn1c(C[NH2+]CCCOC)nc2ccccc21 ZINC000038046674 172144930 /nfs/dbraw/zinc/14/49/30/172144930.db2.gz ZELXPRLYSFTORA-UHFFFAOYSA-N 1 0 247.342 2.182 10 0 BEAERO CCn1c2cc(F)ccc2nc1C[C@@H](C)[NH3+] ZINC000052124629 172145060 /nfs/dbraw/zinc/14/50/60/172145060.db2.gz PPNGJEJCWKZMNK-MRVPVSSYSA-N 1 0 221.279 2.085 10 0 BEAERO CCn1c(N)[nH+]c2cc(Br)ccc21 ZINC000032500749 172146005 /nfs/dbraw/zinc/14/60/05/172146005.db2.gz PKXDSPHJYREQRJ-UHFFFAOYSA-N 1 0 240.104 2.401 10 0 BEAERO CCn1cc(C2CC[NH+](CCCF)CC2)cn1 ZINC000125727733 172159227 /nfs/dbraw/zinc/15/92/27/172159227.db2.gz YIHYMLDMWJPQGA-UHFFFAOYSA-N 1 0 239.338 2.442 10 0 BEAERO CCn1cc(CC[NH3+])c2cc(C)ccc21 ZINC000068576862 172159337 /nfs/dbraw/zinc/15/93/37/172159337.db2.gz LBBRKNWOLVIWCB-UHFFFAOYSA-N 1 0 202.301 2.471 10 0 BEAERO CCn1cc(C[C@H]([NH3+])Cc2ccccc2C)cn1 ZINC000050543183 172176958 /nfs/dbraw/zinc/17/69/58/172176958.db2.gz VPMVNZFLMLBZPH-HNNXBMFYSA-N 1 0 243.354 2.324 10 0 BEAERO CCn1cc(C[C@@]2([NH3+])CCC[C@@H](C)C2)cn1 ZINC000050541569 172177405 /nfs/dbraw/zinc/17/74/05/172177405.db2.gz AYCRXEGJJSDASE-DGCLKSJQSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@@H]([NH3+])Cc2ccccc2F)cn1 ZINC000050543106 172177417 /nfs/dbraw/zinc/17/74/17/172177417.db2.gz UJPWVHJNTMENNM-CYBMUJFWSA-N 1 0 247.317 2.155 10 0 BEAERO CCn1cc([C@@](C)([NH3+])c2ccccc2)cn1 ZINC000043467800 172196330 /nfs/dbraw/zinc/19/63/30/172196330.db2.gz XNDCHOHNQVQQLD-ZDUSSCGKSA-N 1 0 215.300 2.125 10 0 BEAERO CCn1cc([C@H]([NH3+])c2cccc(C)c2)cn1 ZINC000043469272 172198747 /nfs/dbraw/zinc/19/87/47/172198747.db2.gz HLJLLOPSRWFJHE-CYBMUJFWSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1cc([C@]2([NH3+])CCCC[C@H]2C)cn1 ZINC000043467732 172199695 /nfs/dbraw/zinc/19/96/95/172199695.db2.gz MYOGIJIUJCDCKP-PWSUYJOCSA-N 1 0 207.321 2.267 10 0 BEAERO CCn1cccc1C[NH2+]C(CC)(CC)CO ZINC000085609502 172207150 /nfs/dbraw/zinc/20/71/50/172207150.db2.gz DYNVHZRVTCUIJT-UHFFFAOYSA-N 1 0 224.348 2.149 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](CCO)C(C)C ZINC000231072906 172209678 /nfs/dbraw/zinc/20/96/78/172209678.db2.gz IABRBDZJPJHRDE-ZDUSSCGKSA-N 1 0 224.348 2.005 10 0 BEAERO CCn1cc[nH+]c1N[C@H](C)c1ccncc1 ZINC000050608457 172227727 /nfs/dbraw/zinc/22/77/27/172227727.db2.gz IPPQNTJAMXPKJU-SNVBAGLBSA-N 1 0 216.288 2.471 10 0 BEAERO CCn1cnnc1C1CC[NH+](CC(C)C)CC1 ZINC000105928609 172233483 /nfs/dbraw/zinc/23/34/83/172233483.db2.gz OZQAJDMELXLZBY-UHFFFAOYSA-N 1 0 236.363 2.133 10 0 BEAERO CCn1ncc2c1CCC[C@H]2[NH2+]C(C)C ZINC000309036130 172255924 /nfs/dbraw/zinc/25/59/24/172255924.db2.gz IFDZQBABHIYDTQ-LLVKDONJSA-N 1 0 207.321 2.278 10 0 BEAERO CCn1nccc1C[NH2+]CCC1=CCCC1 ZINC000120166935 172270604 /nfs/dbraw/zinc/27/06/04/172270604.db2.gz MXYPXDXMLMJFIL-UHFFFAOYSA-N 1 0 219.332 2.493 10 0 BEAERO CN(C(=O)C(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000020224955 172294628 /nfs/dbraw/zinc/29/46/28/172294628.db2.gz GNEXEQUMKGVJQL-UHFFFAOYSA-N 1 0 220.316 2.154 10 0 BEAERO CN(C(=O)CCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000037540997 172302855 /nfs/dbraw/zinc/30/28/55/172302855.db2.gz ZQWXZBTWEUEOOG-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO CN(C(=O)[C@H]1CC[NH2+]C1)C1CCCCCCC1 ZINC000237061046 172333685 /nfs/dbraw/zinc/33/36/85/172333685.db2.gz NJEXLPSUFUVWHC-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO CN(C(=O)c1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000090289681 172338632 /nfs/dbraw/zinc/33/86/32/172338632.db2.gz DEEXBYLICBJNDU-UHFFFAOYSA-N 1 0 246.354 2.028 10 0 BEAERO CN(C(=O)c1ccccc1)c1ccc(C[NH3+])cc1 ZINC000020224959 172341994 /nfs/dbraw/zinc/34/19/94/172341994.db2.gz ZRBQRTACHGKYHS-UHFFFAOYSA-N 1 0 240.306 2.422 10 0 BEAERO CN(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309928623 172394569 /nfs/dbraw/zinc/39/45/69/172394569.db2.gz WUSMWLNVMGGBIO-NWDGAFQWSA-N 1 0 230.371 2.445 10 0 BEAERO C[NH+](C)C(C)(C)CNc1cc(F)ccc1N ZINC000052122030 172396338 /nfs/dbraw/zinc/39/63/38/172396338.db2.gz CLLBRGUVCBAJLH-UHFFFAOYSA-N 1 0 225.311 2.160 10 0 BEAERO C[NH+](C)CCCNc1ccc(F)c(F)c1 ZINC000041579796 172443538 /nfs/dbraw/zinc/44/35/38/172443538.db2.gz OWKJZEKVHOOLPB-UHFFFAOYSA-N 1 0 214.259 2.328 10 0 BEAERO CN(CC1CC[NH2+]CC1)c1nc2ccccc2o1 ZINC000094043085 172661687 /nfs/dbraw/zinc/66/16/87/172661687.db2.gz OJVQLMGRHNFFKD-UHFFFAOYSA-N 1 0 245.326 2.264 10 0 BEAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)C1CCCC1 ZINC000019843706 172774228 /nfs/dbraw/zinc/77/42/28/172774228.db2.gz UTOSQARNBGKGJK-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO CN(Cc1ccc(F)cc1)c1ccc(C[NH3+])cn1 ZINC000036792516 172853313 /nfs/dbraw/zinc/85/33/13/172853313.db2.gz CCQHNKDVADQQQU-UHFFFAOYSA-N 1 0 245.301 2.316 10 0 BEAERO CN(Cc1ccccc1)c1ncccc1C(N)=[NH2+] ZINC000019474505 172873496 /nfs/dbraw/zinc/87/34/96/172873496.db2.gz BXNVBZIQLXHFRT-UHFFFAOYSA-N 1 0 240.310 2.002 10 0 BEAERO C[NH+]1CCC(c2cccc3n[nH]cc32)CC1 ZINC000089196274 173002449 /nfs/dbraw/zinc/00/24/49/173002449.db2.gz PAPFEBXJWJYMAU-UHFFFAOYSA-N 1 0 215.300 2.372 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1CNc1ccccc1N ZINC000044563720 173005039 /nfs/dbraw/zinc/00/50/39/173005039.db2.gz UEFPPNJVAQZGAD-LLVKDONJSA-N 1 0 219.332 2.165 10 0 BEAERO Cn1nc([C@H]2CCCC[N@@H+]2C)c2c1NCCCC2 ZINC000003697781 173008346 /nfs/dbraw/zinc/00/83/46/173008346.db2.gz QHJFIGAGCJJGAI-GFCCVEGCSA-N 1 0 248.374 2.325 10 0 BEAERO Cn1nc([C@@H]2CCCC[N@@H+]2C)c2c1NCCCC2 ZINC000003697782 173009135 /nfs/dbraw/zinc/00/91/35/173009135.db2.gz QHJFIGAGCJJGAI-LBPRGKRZSA-N 1 0 248.374 2.325 10 0 BEAERO C[N@@H+]1CCCC[C@H]1Cn1cnc2cc(N)ccc21 ZINC000052854192 173010247 /nfs/dbraw/zinc/01/02/47/173010247.db2.gz DDODHSRJCRPOIO-LBPRGKRZSA-N 1 0 244.342 2.103 10 0 BEAERO C[N@@H+]1CCCC[C@H]1CNc1ccc2cn[nH]c2c1 ZINC000054242481 173010351 /nfs/dbraw/zinc/01/03/51/173010351.db2.gz KBWDFODWSOYBTL-ZDUSSCGKSA-N 1 0 244.342 2.459 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000076641903 173021610 /nfs/dbraw/zinc/02/16/10/173021610.db2.gz VDPBYOPAUHUDQB-GFCCVEGCSA-N 1 0 208.280 2.332 10 0 BEAERO CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336722353 173034201 /nfs/dbraw/zinc/03/42/01/173034201.db2.gz ALQNFPTUEQUAKQ-JHJVBQTASA-N 1 0 228.355 2.199 10 0 BEAERO CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336722945 173034253 /nfs/dbraw/zinc/03/42/53/173034253.db2.gz ALQNFPTUEQUAKQ-UPJWGTAASA-N 1 0 228.355 2.199 10 0 BEAERO C[N@@H+]1CCC[C@@]12CCc1cc(O)ccc1C2 ZINC000169315963 173037962 /nfs/dbraw/zinc/03/79/62/173037962.db2.gz OZZKUGCQAMXRSE-AWEZNQCLSA-N 1 0 217.312 2.345 10 0 BEAERO C[N@@H+]1CCC[C@H]2c3cccnc3CC[C@H]21 ZINC000026006777 173061588 /nfs/dbraw/zinc/06/15/88/173061588.db2.gz LVNDFGACOZPSFH-WCQYABFASA-N 1 0 202.301 2.206 10 0 BEAERO CN1CCC[C@]([NH3+])(c2ccc(Cl)cc2)C1 ZINC000140048408 173061730 /nfs/dbraw/zinc/06/17/30/173061730.db2.gz LUXUBCASEKFBTQ-GFCCVEGCSA-N 1 0 224.735 2.220 10 0 BEAERO C[N@@H+]1CC[C@@H](CNc2ccc(N)cc2Cl)C1 ZINC000037484600 173117261 /nfs/dbraw/zinc/11/72/61/173117261.db2.gz IBGFSMLESFDDTN-VIFPVBQESA-N 1 0 239.750 2.286 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccc(F)c(F)c2F)C1 ZINC000061984562 173125710 /nfs/dbraw/zinc/12/57/10/173125710.db2.gz DSRZUSYVIFAOIH-SSDOTTSWSA-N 1 0 230.233 2.220 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccc(OC(F)F)cc2)C1 ZINC000061984722 173126089 /nfs/dbraw/zinc/12/60/89/173126089.db2.gz GDECNLVXZWIBRO-SNVBAGLBSA-N 1 0 242.269 2.404 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000061984628 173126573 /nfs/dbraw/zinc/12/65/73/173126573.db2.gz WGIJJKCLLZFPQO-SECBINFHSA-N 1 0 212.243 2.081 10 0 BEAERO CN1CC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000061984733 173152400 /nfs/dbraw/zinc/15/24/00/173152400.db2.gz DLWUGAMBKHUCRK-ZDUSSCGKSA-N 1 0 243.354 2.004 10 0 BEAERO C[N@@H+]1CCc2c(O)ccc3c2[C@@H](CCC3)C1 ZINC000027726627 173166566 /nfs/dbraw/zinc/16/65/66/173166566.db2.gz NZRACWPIOQVLQB-NSHDSACASA-N 1 0 217.312 2.300 10 0 BEAERO C[N@H+]1[C@@H]2CC[C@H]1CC=C2c1cccnc1 ZINC000026178752 173205039 /nfs/dbraw/zinc/20/50/39/173205039.db2.gz MKVMJKIOMVPWCL-DGCLKSJQSA-N 1 0 200.285 2.332 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000042560581 173294964 /nfs/dbraw/zinc/29/49/64/173294964.db2.gz FPPDGPPGRCFVSU-QWHCGFSZSA-N 1 0 248.370 2.397 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000042560131 173295191 /nfs/dbraw/zinc/29/51/91/173295191.db2.gz LHABMNBCSCEZKT-GRYCIOLGSA-N 1 0 240.391 2.315 10 0 BEAERO CNC(=O)[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000234343864 173302362 /nfs/dbraw/zinc/30/23/62/173302362.db2.gz LIYXTHBEYKGFDY-JSGCOSHPSA-N 1 0 248.370 2.150 10 0 BEAERO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](C)c1ccccc1 ZINC000116877802 173307139 /nfs/dbraw/zinc/30/71/39/173307139.db2.gz TZFUDBATHCIKOB-GXTWGEPZSA-N 1 0 246.354 2.001 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000061317584 173317806 /nfs/dbraw/zinc/31/78/06/173317806.db2.gz IEDRHYNADXKTOJ-VIFPVBQESA-N 1 0 240.372 2.266 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(C)c1C ZINC000061300236 173318735 /nfs/dbraw/zinc/31/87/35/173318735.db2.gz SYABPTJFWMYMFL-UHFFFAOYSA-N 1 0 220.316 2.240 10 0 BEAERO C[NH2+]C(C)(C)CN1CCc2ccccc21 ZINC000061319489 173319456 /nfs/dbraw/zinc/31/94/56/173319456.db2.gz RGPLAYHNMCSSOG-UHFFFAOYSA-N 1 0 204.317 2.047 10 0 BEAERO C[NH2+]C(C)(C)CN(C)c1ccc(C)cc1 ZINC000061319812 173319576 /nfs/dbraw/zinc/31/95/76/173319576.db2.gz VMNFOLBRJJSFCQ-UHFFFAOYSA-N 1 0 206.333 2.429 10 0 BEAERO C[NH2+]C1CCN(C(=O)C[C@H](C)C(C)(C)C)CC1 ZINC000111644091 173322780 /nfs/dbraw/zinc/32/27/80/173322780.db2.gz NACHWMVELFTGID-NSHDSACASA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+]C1CCN(CCOc2cccc(C)c2)CC1 ZINC000042896828 173323136 /nfs/dbraw/zinc/32/31/36/173323136.db2.gz WTFPIBRNGBNIAR-UHFFFAOYSA-N 1 0 248.370 2.058 10 0 BEAERO C[NH2+]CC(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000083906077 173326518 /nfs/dbraw/zinc/32/65/18/173326518.db2.gz QVHCYFQXMPYPBF-AWEZNQCLSA-N 1 0 246.354 2.186 10 0 BEAERO C[NH2+]CC(=O)c1cc(Cl)ccc1Cl ZINC000082536359 173337025 /nfs/dbraw/zinc/33/70/25/173337025.db2.gz HXJPUBKSQRSRTG-UHFFFAOYSA-N 1 0 218.083 2.396 10 0 BEAERO C[NH2+]CCC(=O)NCc1cc(C(C)C)ccc1C ZINC000077424851 173340661 /nfs/dbraw/zinc/34/06/61/173340661.db2.gz LQFQUPUQSVUZIN-UHFFFAOYSA-N 1 0 248.370 2.344 10 0 BEAERO C[NH2+]CCC(=O)c1ccc(Cl)s1 ZINC000049812788 173341974 /nfs/dbraw/zinc/34/19/74/173341974.db2.gz OJMAFZZNTUZXMI-UHFFFAOYSA-N 1 0 203.694 2.194 10 0 BEAERO C[NH2+]CCCOCc1cccc(Cl)c1 ZINC000077306149 173349853 /nfs/dbraw/zinc/34/98/53/173349853.db2.gz GSMGJQVCKWUJEC-UHFFFAOYSA-N 1 0 213.708 2.466 10 0 BEAERO C[NH2+]CCN(C)CCc1cc(C)c(C)cc1C ZINC000077370030 173352896 /nfs/dbraw/zinc/35/28/96/173352896.db2.gz INNQXLYICMYGMK-UHFFFAOYSA-N 1 0 234.387 2.306 10 0 BEAERO C[NH2+]CCN(C)CCc1ccc(Cl)s1 ZINC000077365092 173352962 /nfs/dbraw/zinc/35/29/62/173352962.db2.gz WILWOBGVIZXHTM-UHFFFAOYSA-N 1 0 232.780 2.095 10 0 BEAERO C[NH2+]CCN(C)CCc1ccc2c(c1)CCCC2 ZINC000077404084 173353212 /nfs/dbraw/zinc/35/32/12/173353212.db2.gz RVIIFAQKNKSLPO-UHFFFAOYSA-N 1 0 246.398 2.259 10 0 BEAERO C[NH2+]CCN(Cc1ccccc1)C(C)C ZINC000020072421 173354731 /nfs/dbraw/zinc/35/47/31/173354731.db2.gz HMVHRERHEABRAO-UHFFFAOYSA-N 1 0 206.333 2.116 10 0 BEAERO C[NH2+]CCOCc1cc(C)c(OC)c(C)c1C ZINC000077374363 173357130 /nfs/dbraw/zinc/35/71/30/173357130.db2.gz FJNBHBXRFHUZLP-UHFFFAOYSA-N 1 0 237.343 2.356 10 0 BEAERO C[NH2+]CCOCCc1c(C)cc(C)cc1C ZINC000077332651 173357201 /nfs/dbraw/zinc/35/72/01/173357201.db2.gz ONLUIXWWQAKQSI-UHFFFAOYSA-N 1 0 221.344 2.390 10 0 BEAERO C[NH2+]CC[C@H](C)n1cnc2ccccc21 ZINC000052576349 173358119 /nfs/dbraw/zinc/35/81/19/173358119.db2.gz JXGRQRWCAAWMBW-JTQLQIEISA-N 1 0 203.289 2.207 10 0 BEAERO C[NH2+]CC[C@H](O)c1ccc(C(C)C)cc1OC ZINC000071548383 173358862 /nfs/dbraw/zinc/35/88/62/173358862.db2.gz LZTHHISLXIVKQA-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO C[NH2+]CCc1ccc2sc(C)nc2c1 ZINC000082594004 173360543 /nfs/dbraw/zinc/36/05/43/173360543.db2.gz TVUMHYOLPUUFDL-UHFFFAOYSA-N 1 0 206.314 2.367 10 0 BEAERO C[NH2+]C[C@@H](C(C)C)N1Cc2ccccc2C1 ZINC000052374186 173362825 /nfs/dbraw/zinc/36/28/25/173362825.db2.gz APMBVOORFVDKSH-AWEZNQCLSA-N 1 0 218.344 2.246 10 0 BEAERO C[NH2+]C[C@@H](C)COc1ccc(C)cc1OC ZINC000041243151 173363835 /nfs/dbraw/zinc/36/38/35/173363835.db2.gz BQNRZTBQFJONFO-LLVKDONJSA-N 1 0 223.316 2.238 10 0 BEAERO C[NH2+]C[C@@H](C)COc1ccc(F)cc1F ZINC000041228089 173364261 /nfs/dbraw/zinc/36/42/61/173364261.db2.gz FEFKUXINCZVVIV-MRVPVSSYSA-N 1 0 215.243 2.199 10 0 BEAERO C[NH2+]C[C@@H](C)n1nc(C)c(Br)c1C ZINC000052573736 173364725 /nfs/dbraw/zinc/36/47/25/173364725.db2.gz MRDMHUDIEUBJKZ-ZCFIWIBFSA-N 1 0 246.152 2.043 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)n1cc(Cl)cn1 ZINC000052577322 173367117 /nfs/dbraw/zinc/36/71/17/173367117.db2.gz NLDCGDRGVPOCMX-LBPRGKRZSA-N 1 0 235.718 2.345 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1C(=O)Oc1ccccc1 ZINC000063167947 173367130 /nfs/dbraw/zinc/36/71/30/173367130.db2.gz OEEMGWGBXYPFFF-LBPRGKRZSA-N 1 0 248.326 2.259 10 0 BEAERO C[NH2+]C[C@@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000040591974 173368153 /nfs/dbraw/zinc/36/81/53/173368153.db2.gz ASVMSXSDLKDALN-LBPRGKRZSA-N 1 0 222.332 2.019 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000011892453 173370688 /nfs/dbraw/zinc/37/06/88/173370688.db2.gz BPFOZWFKGXEVNY-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(C)c(F)c2)C1 ZINC000053012476 173371084 /nfs/dbraw/zinc/37/10/84/173371084.db2.gz CNHBSBANMXXAJX-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000054590111 173372561 /nfs/dbraw/zinc/37/25/61/173372561.db2.gz DIUJWQHMGRSKEO-GWCFXTLKSA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@@H]1C[C@H](O)c2cc(Cl)ccc21 ZINC000057939195 173372626 /nfs/dbraw/zinc/37/26/26/173372626.db2.gz GYZGBMDGOBCTDW-CPCISQLKSA-N 1 0 211.692 2.080 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccc(C(C)(C)C)cc1 ZINC000011803575 173372749 /nfs/dbraw/zinc/37/27/49/173372749.db2.gz XILSXFKDMUFBPG-CQSZACIVSA-N 1 0 221.344 2.411 10 0 BEAERO C[NH2+]C[C@H](C)COc1ccc(C)cc1OC ZINC000041243148 173375381 /nfs/dbraw/zinc/37/53/81/173375381.db2.gz BQNRZTBQFJONFO-NSHDSACASA-N 1 0 223.316 2.238 10 0 BEAERO C[NH2+]C[C@H](C)c1c(OC)cc(OC)cc1OC ZINC000107291463 173375969 /nfs/dbraw/zinc/37/59/69/173375969.db2.gz YQECGIGJUIUOSK-VIFPVBQESA-N 1 0 239.315 2.035 10 0 BEAERO C[NH2+]C[C@H](C)n1ccnc1-c1ccccc1 ZINC000053539886 173376061 /nfs/dbraw/zinc/37/60/61/173376061.db2.gz SZRVGXGCBKIVAT-NSHDSACASA-N 1 0 215.300 2.331 10 0 BEAERO C[NH2+]C[C@H](C)n1nc(C)c(Br)c1C ZINC000052573735 173376161 /nfs/dbraw/zinc/37/61/61/173376161.db2.gz MRDMHUDIEUBJKZ-LURJTMIESA-N 1 0 246.152 2.043 10 0 BEAERO C[NH2+]C[C@H](C)c1nc2c(s1)CCCC2 ZINC000041225107 173376163 /nfs/dbraw/zinc/37/61/63/173376163.db2.gz RIUZGZQWFDFZOQ-QMMMGPOBSA-N 1 0 210.346 2.345 10 0 BEAERO C[NH2+]C[C@H](C)c1ccc(OC)cc1OC ZINC000041218651 173376165 /nfs/dbraw/zinc/37/61/65/173376165.db2.gz JGGICFVIVKCSQK-VIFPVBQESA-N 1 0 209.289 2.027 10 0 BEAERO C[NH2+]C[C@H](C)Oc1cccc2c1OC(C)(C)C2 ZINC000052654280 173376213 /nfs/dbraw/zinc/37/62/13/173376213.db2.gz XQHDVDQZSVNYAJ-JTQLQIEISA-N 1 0 235.327 2.387 10 0 BEAERO C[NH2+]C[C@H](O)c1cc2cc(Cl)ccc2o1 ZINC000083048785 173376460 /nfs/dbraw/zinc/37/64/60/173376460.db2.gz NAWKHDGCPHCBHQ-VIFPVBQESA-N 1 0 225.675 2.339 10 0 BEAERO C[NH2+]C[C@H](O)Cc1ccc(C(C)(C)C)cc1 ZINC000041238212 173376493 /nfs/dbraw/zinc/37/64/93/173376493.db2.gz MNIPORAOANPMFU-CYBMUJFWSA-N 1 0 221.344 2.107 10 0 BEAERO C[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000055027453 173376842 /nfs/dbraw/zinc/37/68/42/173376842.db2.gz JKPDQHUALAHWOP-VIFPVBQESA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@H](O)c1csc2ccccc12 ZINC000034268734 173377442 /nfs/dbraw/zinc/37/74/42/173377442.db2.gz QKEWWXURSXLWCT-JTQLQIEISA-N 1 0 207.298 2.154 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1Cc1cccc(OC)c1 ZINC000042407845 173377803 /nfs/dbraw/zinc/37/78/03/173377803.db2.gz FXYFNXJEJZHLQR-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO C[NH2+]C[C@H](Oc1cccnc1)c1ccccc1 ZINC000052646745 173377925 /nfs/dbraw/zinc/37/79/25/173377925.db2.gz VTGYPZNLNLVDFX-AWEZNQCLSA-N 1 0 228.295 2.421 10 0 BEAERO C[NH2+]C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000039978699 173378325 /nfs/dbraw/zinc/37/83/25/173378325.db2.gz DASBTNVHEOVJTR-CQSZACIVSA-N 1 0 234.343 2.052 10 0 BEAERO C[NH2+]C[C@H]1C[C@@H](O)c2cccc(Cl)c21 ZINC000057939202 173382562 /nfs/dbraw/zinc/38/25/62/173382562.db2.gz CZZORTIBKZLNKG-GMSGAONNSA-N 1 0 211.692 2.080 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccc(OC)c(F)c1 ZINC000054589338 173383172 /nfs/dbraw/zinc/38/31/72/173383172.db2.gz XCBDHSMGNXCHSK-ZWNOBZJWSA-N 1 0 223.291 2.331 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccc2ccccc2c1 ZINC000055032701 173383533 /nfs/dbraw/zinc/38/35/33/173383533.db2.gz FIQITACCAAACRU-AWEZNQCLSA-N 1 0 215.296 2.267 10 0 BEAERO C[NH2+]C[C@]1(Cc2ccccc2)CCCOC1 ZINC000062193430 173383798 /nfs/dbraw/zinc/38/37/98/173383798.db2.gz VSUFUZCWLHOUEH-CQSZACIVSA-N 1 0 219.328 2.245 10 0 BEAERO C[NH2+]Cc1c(C)cc(C)nc1N1CCCC1 ZINC000051399132 173384089 /nfs/dbraw/zinc/38/40/89/173384089.db2.gz QHXOLWFQSYZRSA-UHFFFAOYSA-N 1 0 219.332 2.018 10 0 BEAERO C[NH2+]Cc1c(C)cc(C)nc1N1CC[C@H](C)C1 ZINC000051448422 173384406 /nfs/dbraw/zinc/38/44/06/173384406.db2.gz NZDQJSPRKBWKMJ-JTQLQIEISA-N 1 0 233.359 2.264 10 0 BEAERO C[NH2+]Cc1cc(C)nc(-c2ccsc2)n1 ZINC000054830863 173385772 /nfs/dbraw/zinc/38/57/72/173385772.db2.gz WLLHTBCFKRRORX-UHFFFAOYSA-N 1 0 219.313 2.233 10 0 BEAERO C[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000034657539 173388553 /nfs/dbraw/zinc/38/85/53/173388553.db2.gz SDAPSEWDAVSEHB-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000034653475 173388859 /nfs/dbraw/zinc/38/88/59/173388859.db2.gz XBGYCKFAGHBBOP-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]Cc1ccc(N2Cc3ccccc3C2)nc1 ZINC000051398571 173389005 /nfs/dbraw/zinc/38/90/05/173389005.db2.gz DEQFONCKXKYPKW-UHFFFAOYSA-N 1 0 239.322 2.321 10 0 BEAERO C[NH2+]Cc1ccc(OCc2ccccc2)cn1 ZINC000084193559 173389033 /nfs/dbraw/zinc/38/90/33/173389033.db2.gz VPAIRBQZGYSZBA-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]Cc1ccccc1COC[C@@H]1CCCO1 ZINC000052626424 173390270 /nfs/dbraw/zinc/39/02/70/173390270.db2.gz ATYPVWUSCWJHTD-AWEZNQCLSA-N 1 0 235.327 2.102 10 0 BEAERO C[NH2+]Cc1cccnc1N(C)C1CCCC1 ZINC000051439031 173390545 /nfs/dbraw/zinc/39/05/45/173390545.db2.gz DOMFXGBZAGIZSK-UHFFFAOYSA-N 1 0 219.332 2.180 10 0 BEAERO C[NH2+]Cc1ccccc1N(C)[C@H]1CCSC1 ZINC000037175454 173390838 /nfs/dbraw/zinc/39/08/38/173390838.db2.gz QJNVIEPNBCVXKQ-LBPRGKRZSA-N 1 0 236.384 2.348 10 0 BEAERO C[NH2+]Cc1ccnc(-c2ccccc2C)n1 ZINC000045206115 173390929 /nfs/dbraw/zinc/39/09/29/173390929.db2.gz TYODTAWNBUUTEZ-UHFFFAOYSA-N 1 0 213.284 2.171 10 0 BEAERO C[NH2+]Cc1ccnc(-c2ccc(F)cc2)n1 ZINC000054791180 173391808 /nfs/dbraw/zinc/39/18/08/173391808.db2.gz RKGUWAOTKFUXCG-UHFFFAOYSA-N 1 0 217.247 2.002 10 0 BEAERO C[NH2+]Cc1cnc(-c2ccc(F)cc2)nc1 ZINC000054855532 173392034 /nfs/dbraw/zinc/39/20/34/173392034.db2.gz KFUVVNUYNVWVAZ-UHFFFAOYSA-N 1 0 217.247 2.002 10 0 BEAERO C[NH2+]Cc1cnc(COc2ccccc2)s1 ZINC000054438075 173392062 /nfs/dbraw/zinc/39/20/62/173392062.db2.gz JPTTWMHFNLBUBO-UHFFFAOYSA-N 1 0 234.324 2.442 10 0 BEAERO C[NH2+]Cc1cnc(N2CCC[C@H](C)[C@H]2C)s1 ZINC000054905206 173392262 /nfs/dbraw/zinc/39/22/62/173392262.db2.gz JJSPFEMPNXHABS-VHSXEESVSA-N 1 0 239.388 2.487 10 0 BEAERO C[NH2+]Cc1cnc([C@@H]2CCC[C@H](C)C2)nc1 ZINC000054855486 173392543 /nfs/dbraw/zinc/39/25/43/173392543.db2.gz DVQHRLRSCWARSX-CMPLNLGQSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1csc(N2CCCC[C@H]2C)n1 ZINC000062214900 173393062 /nfs/dbraw/zinc/39/30/62/173393062.db2.gz XWSFFTAZOSAHKL-SECBINFHSA-N 1 0 225.361 2.241 10 0 BEAERO C[NH2+]Cc1cnn(-c2ccccc2F)c1C ZINC000020439437 173393086 /nfs/dbraw/zinc/39/30/86/173393086.db2.gz BMSKZJQGOAOZRQ-UHFFFAOYSA-N 1 0 219.263 2.039 10 0 BEAERO C[NH2+]Cc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000054719126 173393636 /nfs/dbraw/zinc/39/36/36/173393636.db2.gz TZCXKJDZACLPNL-UHFFFAOYSA-N 1 0 235.718 2.304 10 0 BEAERO C[NH2+]Cc1nc(-c2ccccc2)c(C)[nH]1 ZINC000036877281 173394785 /nfs/dbraw/zinc/39/47/85/173394785.db2.gz LGIHGUFKCXSRKG-UHFFFAOYSA-N 1 0 201.273 2.105 10 0 BEAERO C[NH2+]Cc1nc2cc(OC)ccc2n1C(C)C ZINC000076044034 173396169 /nfs/dbraw/zinc/39/61/69/173396169.db2.gz GBZDMZRHXHZXRN-UHFFFAOYSA-N 1 0 233.315 2.345 10 0 BEAERO C[NH2+]Cc1nc2cc(F)c(Cl)cc2o1 ZINC000062526004 173396180 /nfs/dbraw/zinc/39/61/80/173396180.db2.gz MLQKPFMXYXBBRI-UHFFFAOYSA-N 1 0 214.627 2.340 10 0 BEAERO C[NH2+]Cc1nnc(-c2cc(C)ccc2C)o1 ZINC000050615352 173397188 /nfs/dbraw/zinc/39/71/88/173397188.db2.gz XRAOUVHWVPFAAX-UHFFFAOYSA-N 1 0 217.272 2.073 10 0 BEAERO C[NH2+]Cc1nnc(-c2ccc(F)cc2Cl)o1 ZINC000050615479 173397498 /nfs/dbraw/zinc/39/74/98/173397498.db2.gz SFENBSFRMMVVMM-UHFFFAOYSA-N 1 0 241.653 2.249 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(C)c(C)c2)c[nH]1 ZINC000036877207 173397747 /nfs/dbraw/zinc/39/77/47/173397747.db2.gz JUWUEZJRARVNNR-UHFFFAOYSA-N 1 0 215.300 2.413 10 0 BEAERO C[NH2+][C@@H](C)COc1cnc(Cl)c(C)c1 ZINC000013819687 173416198 /nfs/dbraw/zinc/41/61/98/173416198.db2.gz WLKGRSYKSXOUEF-QMMMGPOBSA-N 1 0 214.696 2.030 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000035634958 173419052 /nfs/dbraw/zinc/41/90/52/173419052.db2.gz ARSBEZUEIHQXIJ-VIFPVBQESA-N 1 0 218.300 2.316 10 0 BEAERO C[NH2+][C@@H](C)c1cccc(NC(=O)OC)c1 ZINC000035645497 173419632 /nfs/dbraw/zinc/41/96/32/173419632.db2.gz RLYLNWIQZYWGKR-QMMMGPOBSA-N 1 0 208.261 2.145 10 0 BEAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1cc(F)ccc1C ZINC000052139378 173426816 /nfs/dbraw/zinc/42/68/16/173426816.db2.gz UEHFEXBIAFYINP-AWEZNQCLSA-N 1 0 247.317 2.371 10 0 BEAERO C[NH2+][C@@H](c1cc(C)cc(C)c1)c1cnccn1 ZINC000037746262 173426972 /nfs/dbraw/zinc/42/69/72/173426972.db2.gz QFLNMJHYDJTVKW-AWEZNQCLSA-N 1 0 227.311 2.402 10 0 BEAERO C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)C(C)(C)C)C1 ZINC000104446749 173432211 /nfs/dbraw/zinc/43/22/11/173432211.db2.gz SGRQQOLGCNFIRJ-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+][C@@H]1CCCc2c(F)cc(OC)cc21 ZINC000054742290 173433929 /nfs/dbraw/zinc/43/39/29/173433929.db2.gz QZIATOWVXSMDQK-GFCCVEGCSA-N 1 0 209.264 2.431 10 0 BEAERO C[NH2+][C@@H]1CCN(C(=O)Oc2ccccc2)C[C@@H]1C ZINC000073654929 173435322 /nfs/dbraw/zinc/43/53/22/173435322.db2.gz VYNGNUAXPBXPMH-WCQYABFASA-N 1 0 248.326 2.115 10 0 BEAERO C[NH2+][C@@H]1COc2c1cccc2Br ZINC000035654538 173438616 /nfs/dbraw/zinc/43/86/16/173438616.db2.gz RHWYXOAEEILBPQ-MRVPVSSYSA-N 1 0 228.089 2.102 10 0 BEAERO C[NH2+][C@@H]1CCc2c(OC)cccc2[C@@H]1C ZINC000027709208 173438972 /nfs/dbraw/zinc/43/89/72/173438972.db2.gz GOMTVGNTJRFHBN-JOYOIKCWSA-N 1 0 205.301 2.333 10 0 BEAERO C[NH2+][C@@]12CC=CC[C@@H]1COc1ccccc12 ZINC000011686109 173441765 /nfs/dbraw/zinc/44/17/65/173441765.db2.gz JIYZXKWBRCTZDS-RISCZKNCSA-N 1 0 215.296 2.460 10 0 BEAERO C[NH2+][C@H](C)c1ccccc1N(CCO)C(C)C ZINC000042479805 173448971 /nfs/dbraw/zinc/44/89/71/173448971.db2.gz ZYDRUTVINYLEFP-GFCCVEGCSA-N 1 0 236.359 2.174 10 0 BEAERO C[NH2+][C@H](C)c1ccccc1-c1cnn(C)c1 ZINC000038073081 173449371 /nfs/dbraw/zinc/44/93/71/173449371.db2.gz YEPLIIRYFXIJOB-SNVBAGLBSA-N 1 0 215.300 2.368 10 0 BEAERO C[NH2+][C@H](COC)c1cccc2cnccc21 ZINC000061124334 173452922 /nfs/dbraw/zinc/45/29/22/173452922.db2.gz RMDHQCPFEIPRLO-CYBMUJFWSA-N 1 0 216.284 2.142 10 0 BEAERO C[NH2+][C@H](Cc1ccccc1F)[C@H]1CCCOC1 ZINC000062237701 173454255 /nfs/dbraw/zinc/45/42/55/173454255.db2.gz XBHAMLUXBHBWBZ-GXTWGEPZSA-N 1 0 237.318 2.383 10 0 BEAERO C[NH2+][C@H](c1ccc(C)o1)C1CCOCC1 ZINC000061672219 173456376 /nfs/dbraw/zinc/45/63/76/173456376.db2.gz RFJJTJJDVAHYOZ-LBPRGKRZSA-N 1 0 209.289 2.275 10 0 BEAERO C[NH2+][C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000037483363 173467049 /nfs/dbraw/zinc/46/70/49/173467049.db2.gz KDZULMURPIBPCQ-JTQLQIEISA-N 1 0 240.734 2.147 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000129133815 173467148 /nfs/dbraw/zinc/46/71/48/173467148.db2.gz QNRPJBWPSZUDDJ-LBPRGKRZSA-N 1 0 227.311 2.033 10 0 BEAERO C[NH2+][C@H]1c2cc(OC)ccc2S[C@@H]1C ZINC000043635780 173468859 /nfs/dbraw/zinc/46/88/59/173468859.db2.gz ZSUSJAPGVVAWIF-RDDDGLTNSA-N 1 0 209.314 2.450 10 0 BEAERO C[NH2+][C@](C)(CO)c1cc(Cl)ccc1Cl ZINC000038121109 173469578 /nfs/dbraw/zinc/46/95/78/173469578.db2.gz NTDKUSAIFDGSTC-SNVBAGLBSA-N 1 0 234.126 2.420 10 0 BEAERO COC1(C[C@H](C)[NH2+][C@H]2CCO[C@H]2C)CCC1 ZINC000336757998 174009507 /nfs/dbraw/zinc/00/95/07/174009507.db2.gz HZGAERVNSGIVCL-SRVKXCTJSA-N 1 0 227.348 2.101 10 0 BEAERO COC1CCN([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000037265849 174030044 /nfs/dbraw/zinc/03/00/44/174030044.db2.gz SGSZFRWGDDXRJB-OAHLLOKOSA-N 1 0 248.370 2.106 10 0 BEAERO COC1CC[NH+]([C@@H](CN)C2CCCCC2)CC1 ZINC000037265807 174031056 /nfs/dbraw/zinc/03/10/56/174031056.db2.gz LQHYURFRURBICP-AWEZNQCLSA-N 1 0 240.391 2.005 10 0 BEAERO COC1CC[NH+]([C@]2(CN)CCC[C@H](C)C2)CC1 ZINC000037265982 174032282 /nfs/dbraw/zinc/03/22/82/174032282.db2.gz BKRRVUJICLAIMI-GXTWGEPZSA-N 1 0 240.391 2.005 10 0 BEAERO COCC(C)(C)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000341489140 174071522 /nfs/dbraw/zinc/07/15/22/174071522.db2.gz QXBJYJSFYBSGPS-RYUDHWBXSA-N 1 0 243.391 2.452 10 0 BEAERO COCCCC[N@H+](C)Cc1ccc(C)o1 ZINC000117870800 174187250 /nfs/dbraw/zinc/18/72/50/174187250.db2.gz NHFXTYWCENZKNI-UHFFFAOYSA-N 1 0 211.305 2.446 10 0 BEAERO COCCC[NH2+]C[C@H](C)N1CC[C@@H](C)C[C@H]1C ZINC000053492982 174247219 /nfs/dbraw/zinc/24/72/19/174247219.db2.gz BSPDHXULHMZIIY-MCIONIFRSA-N 1 0 242.407 2.121 10 0 BEAERO COCCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000048408681 174247454 /nfs/dbraw/zinc/24/74/54/174247454.db2.gz YQMBXZAUGMPENX-UHFFFAOYSA-N 1 0 218.300 2.294 10 0 BEAERO COCCC[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000020142579 174250299 /nfs/dbraw/zinc/25/02/99/174250299.db2.gz MJIGXSNYWTUTQN-SNVBAGLBSA-N 1 0 239.315 2.088 10 0 BEAERO COCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000036852434 174251047 /nfs/dbraw/zinc/25/10/47/174251047.db2.gz GWOYKOQASPTDER-LBPRGKRZSA-N 1 0 221.300 2.006 10 0 BEAERO COCCCOC[C@H]([NH3+])c1cc(C)ccc1C ZINC000037747142 174254937 /nfs/dbraw/zinc/25/49/37/174254937.db2.gz TXBNSXFEECQVCT-AWEZNQCLSA-N 1 0 237.343 2.356 10 0 BEAERO COCCCO[C@@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000037747115 174256038 /nfs/dbraw/zinc/25/60/38/174256038.db2.gz HEMSXNJOFRNSBH-HUUCEWRRSA-N 1 0 249.354 2.444 10 0 BEAERO COCCN([C@H](C)C[NH2+]CCC(C)C)C1CC1 ZINC000053496531 174285403 /nfs/dbraw/zinc/28/54/03/174285403.db2.gz HJDJGCKPAMGSIF-CYBMUJFWSA-N 1 0 242.407 2.121 10 0 BEAERO COCC[N@H+](CCNc1ccccc1)C1CC1 ZINC000042519631 174291830 /nfs/dbraw/zinc/29/18/30/174291830.db2.gz RUNSBQDUHRBZAX-UHFFFAOYSA-N 1 0 234.343 2.209 10 0 BEAERO COCC[N@H+](C[C@H](N)C(C)(C)C)[C@@H](C)C1CC1 ZINC000042616199 174297343 /nfs/dbraw/zinc/29/73/43/174297343.db2.gz QHZAAOJWXORWBW-AAEUAGOBSA-N 1 0 242.407 2.107 10 0 BEAERO COCC[N@H+](C[C@](C)(O)c1ccccc1)C1CC1 ZINC000052097254 174297369 /nfs/dbraw/zinc/29/73/69/174297369.db2.gz BNWZBQHFZXQZJZ-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO COCCN1C[C@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062623428 174318924 /nfs/dbraw/zinc/31/89/24/174318924.db2.gz ULICPXQDLWBTCI-CQSZACIVSA-N 1 0 248.370 2.267 10 0 BEAERO COCCNC(=[NH2+])c1ccc2ccccc2c1 ZINC000062995035 174319607 /nfs/dbraw/zinc/31/96/07/174319607.db2.gz ITRFEZBJAGOLRC-UHFFFAOYSA-N 1 0 228.295 2.401 10 0 BEAERO COCC[NH2+]CCCOC[C@H]1CC=CC[C@H]1C ZINC000053562157 174331962 /nfs/dbraw/zinc/33/19/62/174331962.db2.gz JIZUKQZMNMQKSR-ZIAGYGMSSA-N 1 0 241.375 2.231 10 0 BEAERO COCC[NH2+]CCCOC[C@@H]1CC=CC[C@@H]1C ZINC000053562170 174332120 /nfs/dbraw/zinc/33/21/20/174332120.db2.gz JIZUKQZMNMQKSR-KBPBESRZSA-N 1 0 241.375 2.231 10 0 BEAERO COCC[NH2+]CCCOC[C@H]1CC=CC[C@@H]1C ZINC000053562160 174332370 /nfs/dbraw/zinc/33/23/70/174332370.db2.gz JIZUKQZMNMQKSR-UONOGXRCSA-N 1 0 241.375 2.231 10 0 BEAERO COCC[NH2+]C[C@@H](C)Cc1ccc(F)cc1F ZINC000054659967 174333136 /nfs/dbraw/zinc/33/31/36/174333136.db2.gz XCZFLKKKXWQMTR-JTQLQIEISA-N 1 0 243.297 2.379 10 0 BEAERO COCC[NH2+]C[C@@H]1C[C@]1(C)c1ccccc1F ZINC000054599105 174334703 /nfs/dbraw/zinc/33/47/03/174334703.db2.gz WBNOGOJOLDUZSU-FZMZJTMJSA-N 1 0 237.318 2.339 10 0 BEAERO COCC[NH2+][C@@H](C)c1nc(C)c(C)s1 ZINC000045205773 174338530 /nfs/dbraw/zinc/33/85/30/174338530.db2.gz DKQGTEJDPYXTOS-QMMMGPOBSA-N 1 0 214.334 2.057 10 0 BEAERO COCC[NH2+][C@H](C)c1nc(C)c(C)s1 ZINC000045205772 174339950 /nfs/dbraw/zinc/33/99/50/174339950.db2.gz DKQGTEJDPYXTOS-MRVPVSSYSA-N 1 0 214.334 2.057 10 0 BEAERO COCCNc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000053292816 174340609 /nfs/dbraw/zinc/34/06/09/174340609.db2.gz PRNPZVJTWHJDHV-UHFFFAOYSA-N 1 0 248.248 2.222 10 0 BEAERO COCCOCc1cc(C[NH2+]C2CC2)oc1C ZINC000052628346 174364097 /nfs/dbraw/zinc/36/40/97/174364097.db2.gz RZRFXFYXGJJHCW-UHFFFAOYSA-N 1 0 239.315 2.003 10 0 BEAERO COCCO[C@@H](C[NH2+]C1CC1)c1cccc(C)c1 ZINC000050495810 174365735 /nfs/dbraw/zinc/36/57/35/174365735.db2.gz MQSYRGDRRBRIIP-HNNXBMFYSA-N 1 0 249.354 2.451 10 0 BEAERO COCCO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000019267280 174366654 /nfs/dbraw/zinc/36/66/54/174366654.db2.gz PADRJBZRVJAUIH-QLFBSQMISA-N 1 0 249.354 2.313 10 0 BEAERO COCCOc1ccc(C2(C[NH3+])CCCC2)cc1 ZINC000107294180 174367263 /nfs/dbraw/zinc/36/72/63/174367263.db2.gz BPKUBCVPFZBBFA-UHFFFAOYSA-N 1 0 249.354 2.482 10 0 BEAERO COCCOc1ccc(/C(C)=C/C[NH3+])cc1 ZINC000077332438 174367920 /nfs/dbraw/zinc/36/79/20/174367920.db2.gz TUHIHWDWVWIUMB-YRNVUSSQSA-N 1 0 221.300 2.074 10 0 BEAERO COCC[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000062797572 174392684 /nfs/dbraw/zinc/39/26/84/174392684.db2.gz PBLLFJBUUSYKQE-SNVBAGLBSA-N 1 0 205.257 2.469 10 0 BEAERO COCC[C@@H]([NH3+])c1nc2cc(F)ccc2s1 ZINC000052785318 174392749 /nfs/dbraw/zinc/39/27/49/174392749.db2.gz SCQLFWDVZRDPOX-MRVPVSSYSA-N 1 0 240.303 2.472 10 0 BEAERO COC[C@@H](C)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000044478395 174442294 /nfs/dbraw/zinc/44/22/94/174442294.db2.gz WSKIFFJZIGIWPB-JTQLQIEISA-N 1 0 237.343 2.381 10 0 BEAERO COC[C@@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000053173482 174521766 /nfs/dbraw/zinc/52/17/66/174521766.db2.gz OIXWWMBYHRQZHJ-NSHDSACASA-N 1 0 213.708 2.246 10 0 BEAERO COC[C@H](C)[NH2+]CCOC[C@H]1CC=CC[C@H]1C ZINC000053561018 174547629 /nfs/dbraw/zinc/54/76/29/174547629.db2.gz RHPLYZKULOIETQ-HZSPNIEDSA-N 1 0 241.375 2.230 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCC2)C12CCC2 ZINC000376178786 174783494 /nfs/dbraw/zinc/78/34/94/174783494.db2.gz UNTPYPVGYKRVMC-YUSALJHKSA-N 1 0 209.333 2.332 10 0 BEAERO CO[C@H]1C[NH2+][C@H](c2nc3ccccc3s2)C1 ZINC000019487308 174900508 /nfs/dbraw/zinc/90/05/08/174900508.db2.gz UXPXTYSFBYCYJH-SCZZXKLOSA-N 1 0 234.324 2.346 10 0 BEAERO COc1cc(C)c(Cl)cc1CCOCC[NH3+] ZINC000077394983 174959794 /nfs/dbraw/zinc/95/97/94/174959794.db2.gz WBJGDEGQKJPENL-UHFFFAOYSA-N 1 0 243.734 2.175 10 0 BEAERO COc1cc(C)c([C@H](O)[C@H]2CCC[NH2+]2)cc1C ZINC000036163482 174962669 /nfs/dbraw/zinc/96/26/69/174962669.db2.gz MIALUEPKAHKKRP-OCCSQVGLSA-N 1 0 235.327 2.097 10 0 BEAERO COc1cc(CC[NH3+])ccc1OCC(F)(F)F ZINC000034331259 174978048 /nfs/dbraw/zinc/97/80/48/174978048.db2.gz XLLVBOJHGZWUST-UHFFFAOYSA-N 1 0 249.232 2.138 10 0 BEAERO COc1cc(C[C@@H](C)[NH3+])ccc1OCC(F)F ZINC000037756455 174987909 /nfs/dbraw/zinc/98/79/09/174987909.db2.gz VQNNZRSPHYOWLH-MRVPVSSYSA-N 1 0 245.269 2.229 10 0 BEAERO COc1cc(NCC[N@H+](C)C(C)C)ccc1N ZINC000104235705 175002612 /nfs/dbraw/zinc/00/26/12/175002612.db2.gz OPCUAYLWXUZYPO-UHFFFAOYSA-N 1 0 237.347 2.030 10 0 BEAERO COc1cc([C@@H](C)[NH2+]C2CC2)ccc1O ZINC000022145470 175013155 /nfs/dbraw/zinc/01/31/55/175013155.db2.gz HHWYGGWWEGLTCE-MRVPVSSYSA-N 1 0 207.273 2.214 10 0 BEAERO COc1cc([C@H]2C[C@@H](C)C[NH2+]2)c(C)cc1O ZINC000003705260 175016846 /nfs/dbraw/zinc/01/68/46/175016846.db2.gz IPOUCMSEJCUHPX-LDYMZIIASA-N 1 0 221.300 2.380 10 0 BEAERO COc1cc([C@H]2C[C@@H](C)C[NH2+]2)ccc1O ZINC000003705195 175017012 /nfs/dbraw/zinc/01/70/12/175017012.db2.gz WTTBMYUITMZBTK-PSASIEDQSA-N 1 0 207.273 2.071 10 0 BEAERO COc1cc2c(cc1OC)[C@H]([NH3+])C[C@H]2C ZINC000041216120 175025672 /nfs/dbraw/zinc/02/56/72/175025672.db2.gz BRJYCLBCIIEMID-GMSGAONNSA-N 1 0 207.273 2.211 10 0 BEAERO COc1cc2[nH+]c(N)c(C)cc2c(OC)c1OC ZINC000063117340 175028429 /nfs/dbraw/zinc/02/84/29/175028429.db2.gz LTHUTKXIJQNGQI-UHFFFAOYSA-N 1 0 248.282 2.151 10 0 BEAERO COc1ccc(-c2cccnc2)cc1C[NH3+] ZINC000038069878 175035328 /nfs/dbraw/zinc/03/53/28/175035328.db2.gz AWUHWAUTRXVVHH-UHFFFAOYSA-N 1 0 214.268 2.216 10 0 BEAERO COc1ccc(Br)cc1[C@H](C)[NH3+] ZINC000003705504 175051274 /nfs/dbraw/zinc/05/12/74/175051274.db2.gz RLQGTCFNDMNKTC-LURJTMIESA-N 1 0 230.105 2.477 10 0 BEAERO COc1ccc(C(=O)C2([NH3+])CCCC2)c(OC)c1 ZINC000071564168 175052662 /nfs/dbraw/zinc/05/26/62/175052662.db2.gz RGTRFJCTOLXSQY-UHFFFAOYSA-N 1 0 249.310 2.158 10 0 BEAERO COc1ccc(C(=O)C2CC[NH2+]CC2)c(C)c1 ZINC000082721877 175052698 /nfs/dbraw/zinc/05/26/98/175052698.db2.gz HDJMNXFPZIFPKA-UHFFFAOYSA-N 1 0 233.311 2.186 10 0 BEAERO CCC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CCCC1 ZINC000225812703 487629810 /nfs/dbraw/zinc/62/98/10/487629810.db2.gz WCFOIOBWCKDNRS-GFCCVEGCSA-N 1 0 240.391 2.446 10 0 BEAERO COc1ccc(C(C)(C)C)cc1COCC[NH3+] ZINC000077374358 175066699 /nfs/dbraw/zinc/06/66/99/175066699.db2.gz JTAPISCHUMWGNZ-UHFFFAOYSA-N 1 0 237.343 2.468 10 0 BEAERO COc1ccc(C(C)(C)CC[NH3+])cc1OC ZINC000041242716 175067652 /nfs/dbraw/zinc/06/76/52/175067652.db2.gz LONCJKZOFJNCCM-UHFFFAOYSA-N 1 0 223.316 2.330 10 0 BEAERO COc1ccc(C)cc1-c1nc(C(C)(C)[NH3+])no1 ZINC000052944024 175072456 /nfs/dbraw/zinc/07/24/56/175072456.db2.gz YPPOFICIHDSWPJ-UHFFFAOYSA-N 1 0 247.298 2.247 10 0 BEAERO COc1ccc(C)cc1C(=O)[C@H](C[NH3+])C(C)C ZINC000082332610 175073717 /nfs/dbraw/zinc/07/37/17/175073717.db2.gz BDHZHACSZAPGFI-GFCCVEGCSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc(C)cc1C(=O)c1ccc(C[NH3+])o1 ZINC000041292245 175074175 /nfs/dbraw/zinc/07/41/75/175074175.db2.gz PHDATOMUIYBWRP-UHFFFAOYSA-N 1 0 245.278 2.286 10 0 BEAERO COc1ccc(C)cc1CN(CCC[NH3+])C1CC1 ZINC000050702686 175075543 /nfs/dbraw/zinc/07/55/43/175075543.db2.gz ZWRCHQGPSJFGRS-UHFFFAOYSA-N 1 0 248.370 2.317 10 0 BEAERO COc1ccc(C)cc1C[NH2+]Cc1cn[nH]c1 ZINC000038006177 175075827 /nfs/dbraw/zinc/07/58/27/175075827.db2.gz HISUUEYXFUTACC-UHFFFAOYSA-N 1 0 231.299 2.017 10 0 BEAERO COc1ccc(C)cc1C[C@H]1CSC[C@@H]1[NH3+] ZINC000098092347 175077132 /nfs/dbraw/zinc/07/71/32/175077132.db2.gz YGHAUYYGVOCDFM-RYUDHWBXSA-N 1 0 237.368 2.236 10 0 BEAERO COc1ccc(C)cc1NCC[C@H](C)C[NH3+] ZINC000049818992 175078220 /nfs/dbraw/zinc/07/82/20/175078220.db2.gz PRURIAUJHCGTCZ-NSHDSACASA-N 1 0 222.332 2.400 10 0 BEAERO COc1ccc(C)cc1NC[C@H]1CCC[NH2+]1 ZINC000041234285 175078312 /nfs/dbraw/zinc/07/83/12/175078312.db2.gz IKMNSCQUPAXOSA-LLVKDONJSA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(C)cc1[C@@H](C)N1CCC[NH2+]CC1 ZINC000038086948 175078907 /nfs/dbraw/zinc/07/89/07/175078907.db2.gz SWVVTMXXPLWVEE-CYBMUJFWSA-N 1 0 248.370 2.360 10 0 BEAERO COc1ccc(C)cc1[C@@H]1C[NH2+]C[C@@H](C2CC2)O1 ZINC000071308784 175079851 /nfs/dbraw/zinc/07/98/51/175079851.db2.gz JSLYVZGIWCYUOP-GJZGRUSLSA-N 1 0 247.338 2.443 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]C(C)(C)C ZINC000037882941 175080033 /nfs/dbraw/zinc/08/00/33/175080033.db2.gz NEDXOGNTLPUGHA-LBPRGKRZSA-N 1 0 237.343 2.425 10 0 BEAERO COc1ccc(C)cc1[C@@H](N)C[N@@H+]1CCC[C@@H]1C ZINC000037910608 175080270 /nfs/dbraw/zinc/08/02/70/175080270.db2.gz IRVXNLMDNYTGGQ-JSGCOSHPSA-N 1 0 248.370 2.488 10 0 BEAERO COc1ccc(C)cc1[C@@H]1C[NH2+]C[C@@H](C)O1 ZINC000036986396 175080290 /nfs/dbraw/zinc/08/02/90/175080290.db2.gz NMYBQXPYFLOTIC-MFKMUULPSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc(C)cc1[C@H](O)C[NH2+][C@@H](C)C1CC1 ZINC000037889615 175082611 /nfs/dbraw/zinc/08/26/11/175082611.db2.gz YDRTXXQDQKAWRA-SMDDNHRTSA-N 1 0 249.354 2.425 10 0 BEAERO COc1ccc(CCC[C@H](C)[NH3+])c(OC)c1 ZINC000041242681 175089334 /nfs/dbraw/zinc/08/93/34/175089334.db2.gz KEAVTOVKOPMHKX-JTQLQIEISA-N 1 0 223.316 2.374 10 0 BEAERO COc1ccc(CCC[NH2+]C2CC2)cc1OC ZINC000041265968 175089467 /nfs/dbraw/zinc/08/94/67/175089467.db2.gz OJXPKWXGGQWTRW-UHFFFAOYSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(CCN2CCCC2=[NH2+])cc1OC ZINC000020444023 175090764 /nfs/dbraw/zinc/09/07/64/175090764.db2.gz ORCMQYOKJNGKSS-UHFFFAOYSA-N 1 0 248.326 2.319 10 0 BEAERO COc1ccc(CC[NH2+]CC2CCOCC2)cc1 ZINC000052171781 175091525 /nfs/dbraw/zinc/09/15/25/175091525.db2.gz RZNXZNJAYSHLFX-UHFFFAOYSA-N 1 0 249.354 2.254 10 0 BEAERO COc1ccc(CC[C@]2(C)C[C@@H]2[NH3+])cc1 ZINC000052126297 175093785 /nfs/dbraw/zinc/09/37/85/175093785.db2.gz UNABQZPCYCDAKE-QWHCGFSZSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccc(CNC2=[NH+][C@@H](C)CS2)cc1 ZINC000035294671 175105590 /nfs/dbraw/zinc/10/55/90/175105590.db2.gz YNDBQODAUNFKAM-VIFPVBQESA-N 1 0 236.340 2.276 10 0 BEAERO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077204500 175107562 /nfs/dbraw/zinc/10/75/62/175107562.db2.gz MGCFILAQNIVFJJ-ZFWWWQNUSA-N 1 0 249.354 2.336 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])CCOC(C)C)cc1 ZINC000053831529 175115768 /nfs/dbraw/zinc/11/57/68/175115768.db2.gz CDMWFVJRUYFDOK-ZDUSSCGKSA-N 1 0 237.343 2.380 10 0 BEAERO COc1ccc(Cl)c(NC(=O)C[C@H](C)[NH3+])c1 ZINC000043318634 175118571 /nfs/dbraw/zinc/11/85/71/175118571.db2.gz ISKOYHFDONOQSV-ZETCQYMHSA-N 1 0 242.706 2.024 10 0 BEAERO COc1ccc(Cl)cc1[C@@H](O)[C@@H]1CCC[NH2+]1 ZINC000036164539 175121626 /nfs/dbraw/zinc/12/16/26/175121626.db2.gz SKBBFGOMBCRYPE-CMPLNLGQSA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc(F)cc1CCSCC[NH3+] ZINC000057953381 175128403 /nfs/dbraw/zinc/12/84/03/175128403.db2.gz OCVMTOGETWBORL-UHFFFAOYSA-N 1 0 229.320 2.069 10 0 BEAERO COc1ccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000019430479 175145752 /nfs/dbraw/zinc/14/57/52/175145752.db2.gz YHDGNEINAYTTRI-WDEREUQCSA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccc(NC[C@H]2CCOC2)c(OC)c1 ZINC000019903460 175151352 /nfs/dbraw/zinc/15/13/52/175151352.db2.gz WHQDUNCCOZMUSM-SNVBAGLBSA-N 1 0 237.299 2.152 10 0 BEAERO COc1ccc(N[C@H](C[NH3+])c2cccnc2)cc1 ZINC000057534196 175155221 /nfs/dbraw/zinc/15/52/21/175155221.db2.gz BHCGEVGCPAGAHE-CQSZACIVSA-N 1 0 243.310 2.202 10 0 BEAERO COc1ccc(OC)c(C[C@H](C)CC[NH3+])c1 ZINC000041242738 175166220 /nfs/dbraw/zinc/16/62/20/175166220.db2.gz ZIXBTUDCGJCCOO-SNVBAGLBSA-N 1 0 223.316 2.231 10 0 BEAERO COc1ccc(OC)c([C@@H]2[C@H](C[NH3+])C2(C)C)c1 ZINC000076682589 175168472 /nfs/dbraw/zinc/16/84/72/175168472.db2.gz USVHRTBFDXOTGM-WCQYABFASA-N 1 0 235.327 2.402 10 0 BEAERO COc1ccc(OC)c([C@H]([NH3+])COC(C)C)c1 ZINC000019395330 175168726 /nfs/dbraw/zinc/16/87/26/175168726.db2.gz WENFNRGSWAQDRO-GFCCVEGCSA-N 1 0 239.315 2.129 10 0 BEAERO COc1ccc(OC)c([C@H]([NH3+])c2cccnc2)c1 ZINC000011832158 175168915 /nfs/dbraw/zinc/16/89/15/175168915.db2.gz URJXSSBKDMSZIV-CQSZACIVSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc(OC)c([C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000057513877 175169195 /nfs/dbraw/zinc/16/91/95/175169195.db2.gz LPCXIFKTIGHMOU-VHSXEESVSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(OC)c([C@H]2C[C@H](C)C[NH2+]2)c1 ZINC000003704339 175169901 /nfs/dbraw/zinc/16/99/01/175169901.db2.gz CQOHQUKEEZSHMY-JOYOIKCWSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(SC[C@H]2CC[NH2+]C2)cc1 ZINC000051890852 175174989 /nfs/dbraw/zinc/17/49/89/175174989.db2.gz RYQDPOBBDIAMQK-JTQLQIEISA-N 1 0 223.341 2.397 10 0 BEAERO COc1ccc([C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000019967696 175179305 /nfs/dbraw/zinc/17/93/05/175179305.db2.gz HIGQQLWERNLEAR-LBPRGKRZSA-N 1 0 209.289 2.360 10 0 BEAERO COc1ccc([C@@H](O)CC[NH2+]C2CC2)cc1C ZINC000049827549 175181041 /nfs/dbraw/zinc/18/10/41/175181041.db2.gz DMCLQWQHDAIOKA-ZDUSSCGKSA-N 1 0 235.327 2.179 10 0 BEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000032014645 175181189 /nfs/dbraw/zinc/18/11/89/175181189.db2.gz ZDPDXFMSJLMHEC-QWHCGFSZSA-N 1 0 223.316 2.102 10 0 BEAERO COc1ccc([C@@H]2C[C@H]2[NH3+])cc1Br ZINC000038052476 175184981 /nfs/dbraw/zinc/18/49/81/175184981.db2.gz TVAMLWWUHJYULX-IONNQARKSA-N 1 0 242.116 2.272 10 0 BEAERO COc1ccc([C@@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)cc1 ZINC000072415340 175185599 /nfs/dbraw/zinc/18/55/99/175185599.db2.gz HJLYZPQCRBLZAL-GXFFZTMASA-N 1 0 243.310 2.148 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCO2)c(C)c1 ZINC000019972090 175192308 /nfs/dbraw/zinc/19/23/08/175192308.db2.gz ZUMVGZPMILJQCP-STQMWFEESA-N 1 0 221.300 2.182 10 0 BEAERO COc1ccc([C@H]([NH3+])c2cccnc2)c(OC)c1 ZINC000011832279 175192639 /nfs/dbraw/zinc/19/26/39/175192639.db2.gz MAKKVORGEZJWIL-CQSZACIVSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@H]2CCOC2)cc1C ZINC000048623308 175192663 /nfs/dbraw/zinc/19/26/63/175192663.db2.gz GSTFYRUGDQXGRM-AAEUAGOBSA-N 1 0 221.300 2.040 10 0 BEAERO COc1ccc([C@H](O)CC[NH2+]C2CC2)cc1F ZINC000049829674 175193433 /nfs/dbraw/zinc/19/34/33/175193433.db2.gz JJYAQGDLBMVITO-GFCCVEGCSA-N 1 0 239.290 2.010 10 0 BEAERO COc1ccc([C@H](O)C[NH2+]C(C)C)cc1C ZINC000049819407 175193769 /nfs/dbraw/zinc/19/37/69/175193769.db2.gz VXSDHCNKKHEZDI-GFCCVEGCSA-N 1 0 223.316 2.035 10 0 BEAERO COc1ccc([C@H]([C@@H](C)[NH3+])n2cc(C)cn2)cc1 ZINC000042962333 175193996 /nfs/dbraw/zinc/19/39/96/175193996.db2.gz YBPOHGHNBCHCMY-RISCZKNCSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccc([C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000055231096 175194249 /nfs/dbraw/zinc/19/42/49/175194249.db2.gz XJBZHAPXQHQLRB-GHMZBOCLSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@H]2C[N@@H+](C(C)C)CCN2)cc1 ZINC000077369935 175195854 /nfs/dbraw/zinc/19/58/54/175195854.db2.gz ZMWMSZIGRQBQHB-CQSZACIVSA-N 1 0 234.343 2.050 10 0 BEAERO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1OC ZINC000003704343 175197823 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/nfs/dbraw/zinc/23/09/34/175230934.db2.gz OSANWXKQAARZBB-CYBMUJFWSA-N 1 0 232.283 2.435 10 0 BEAERO COc1ccc2oc(C3([NH3+])CCC3)nc2c1 ZINC000082981317 175231351 /nfs/dbraw/zinc/23/13/51/175231351.db2.gz SOFJODUIADUNEL-UHFFFAOYSA-N 1 0 218.256 2.174 10 0 BEAERO COc1ccc2sc([C@@H](C)[NH3+])nc2c1 ZINC000082945659 175232569 /nfs/dbraw/zinc/23/25/69/175232569.db2.gz GFORNNHKFRCYLP-ZCFIWIBFSA-N 1 0 208.286 2.325 10 0 BEAERO COc1cccc(-c2nnc([C@H](C)[NH3+])s2)c1 ZINC000083335428 175237553 /nfs/dbraw/zinc/23/75/53/175237553.db2.gz QRQDUPDXLDOLEY-ZETCQYMHSA-N 1 0 235.312 2.233 10 0 BEAERO COc1cccc(C[N@H+](C)CCC(C)=O)c1 ZINC000047979683 175255963 /nfs/dbraw/zinc/25/59/63/175255963.db2.gz FQRVJTQZFNQBQT-UHFFFAOYSA-N 1 0 221.300 2.106 10 0 BEAERO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)c1 ZINC000042229851 175255990 /nfs/dbraw/zinc/25/59/90/175255990.db2.gz PAUHBRVYNYUYEQ-KGLIPLIRSA-N 1 0 235.327 2.040 10 0 BEAERO COc1cccc(CN(CC[NH3+])C(C)(C)C)c1 ZINC000076619655 175256802 /nfs/dbraw/zinc/25/68/02/175256802.db2.gz UGKSEYYFVLTTAE-UHFFFAOYSA-N 1 0 236.359 2.254 10 0 BEAERO COc1cccc(CNC2=[NH+]C[C@H](C)S2)c1 ZINC000038078035 175263771 /nfs/dbraw/zinc/26/37/71/175263771.db2.gz VPBXIWVYOVLVQX-VIFPVBQESA-N 1 0 236.340 2.276 10 0 BEAERO COc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000037894668 175266951 /nfs/dbraw/zinc/26/69/51/175266951.db2.gz RBAYPPJASAEPCM-HUUCEWRRSA-N 1 0 249.354 2.478 10 0 BEAERO COc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2O)c1 ZINC000037894667 175268338 /nfs/dbraw/zinc/26/83/38/175268338.db2.gz RBAYPPJASAEPCM-GJZGRUSLSA-N 1 0 249.354 2.478 10 0 BEAERO COc1cccc(COc2cc(C[NH3+])ccn2)c1 ZINC000019516807 175270147 /nfs/dbraw/zinc/27/01/47/175270147.db2.gz PLUQKYJUNCSWHJ-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1cccc(C[C@H](C)[NH3+])c1OCC(F)F ZINC000037756462 175271219 /nfs/dbraw/zinc/27/12/19/175271219.db2.gz OPUDVVTWAQOBFD-QMMMGPOBSA-N 1 0 245.269 2.229 10 0 BEAERO COc1cccc(N(C)Cc2ccoc2C[NH3+])c1 ZINC000052516720 175274925 /nfs/dbraw/zinc/27/49/25/175274925.db2.gz NUKUAQPQTVJXCO-UHFFFAOYSA-N 1 0 246.310 2.383 10 0 BEAERO COc1cccc(N(C)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000062948980 175275627 /nfs/dbraw/zinc/27/56/27/175275627.db2.gz XUXFTDSEZFFQPC-YPMHNXCESA-N 1 0 234.343 2.272 10 0 BEAERO COc1cccc(NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000019511022 175276952 /nfs/dbraw/zinc/27/69/52/175276952.db2.gz WSSUKRIIZLMRHS-GWCFXTLKSA-N 1 0 248.326 2.164 10 0 BEAERO COc1cccc(OC)c1OC(C)(C)CC[NH3+] ZINC000041282090 175281986 /nfs/dbraw/zinc/28/19/86/175281986.db2.gz IUFMPJSIEIWABF-UHFFFAOYSA-N 1 0 239.315 2.210 10 0 BEAERO COc1cccc(OCC[C@H]([NH3+])C(C)C)c1 ZINC000032014694 175283262 /nfs/dbraw/zinc/28/32/62/175283262.db2.gz XNZNYXVLXKDWPG-ZDUSSCGKSA-N 1 0 223.316 2.447 10 0 BEAERO COc1cccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367625730 175286362 /nfs/dbraw/zinc/28/63/62/175286362.db2.gz LTIWIMSWUBIEAR-QZKOUSHUSA-N 1 0 247.338 2.238 10 0 BEAERO COc1cccc([C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000070627885 175287626 /nfs/dbraw/zinc/28/76/26/175287626.db2.gz FEWXZMIVEAKPBV-PWSUYJOCSA-N 1 0 205.301 2.408 10 0 BEAERO COc1cccc([C@@H](OCC[NH3+])c2ccco2)c1 ZINC000019676359 175289450 /nfs/dbraw/zinc/28/94/50/175289450.db2.gz WESVPUJVORFCEF-CQSZACIVSA-N 1 0 247.294 2.353 10 0 BEAERO COc1cccc([C@@H]2CCC[NH2+]C2)c1OC ZINC000057952061 175289731 /nfs/dbraw/zinc/28/97/31/175289731.db2.gz ZJXNAAZLDGHQAP-SNVBAGLBSA-N 1 0 221.300 2.171 10 0 BEAERO COc1cccc([C@@H]([C@H](C)[NH3+])N(C)CC2CC2)c1 ZINC000043027321 175290136 /nfs/dbraw/zinc/29/01/36/175290136.db2.gz UGBKHBWSXSVVPJ-XHDPSFHLSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@@H]2C[N@@H+](C(C)C)CCN2)c1 ZINC000077369940 175291250 /nfs/dbraw/zinc/29/12/50/175291250.db2.gz JVGAJYDBWLHABG-AWEZNQCLSA-N 1 0 234.343 2.050 10 0 BEAERO COc1cccc([C@@](C)([NH3+])c2cccnc2)c1 ZINC000037761486 175291649 /nfs/dbraw/zinc/29/16/49/175291649.db2.gz LPONNOOKCDDMPA-CQSZACIVSA-N 1 0 228.295 2.312 10 0 BEAERO COc1cccc([C@H](C)N2CCC[C@H]([NH3+])C2)c1 ZINC000041027843 175292770 /nfs/dbraw/zinc/29/27/70/175292770.db2.gz VNEZORRJPBYODI-AAEUAGOBSA-N 1 0 234.343 2.179 10 0 BEAERO COc1cccc([C@H](CN)[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000036783325 175293988 /nfs/dbraw/zinc/29/39/88/175293988.db2.gz QBLXGLNOIHHUEP-NHYWBVRUSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@H]([NH3+])Cc2nccs2)c1 ZINC000036279079 175294036 /nfs/dbraw/zinc/29/40/36/175294036.db2.gz JVBJSLIHSMQRDH-LLVKDONJSA-N 1 0 234.324 2.394 10 0 BEAERO COc1cccc([C@H]([NH3+])c2cccnc2)c1 ZINC000037466378 175294631 /nfs/dbraw/zinc/29/46/31/175294631.db2.gz BTPPBEUHBACCTH-ZDUSSCGKSA-N 1 0 214.268 2.138 10 0 BEAERO COc1cccc([C@H]([NH3+])c2cncc(F)c2)c1 ZINC000049576119 175295271 /nfs/dbraw/zinc/29/52/71/175295271.db2.gz CTBIZZXHXNBNJK-ZDUSSCGKSA-N 1 0 232.258 2.277 10 0 BEAERO COc1cccc([C@H]([C@@H](C)[NH3+])n2cc(C)cn2)c1 ZINC000043028865 175295469 /nfs/dbraw/zinc/29/54/69/175295469.db2.gz YZZQIYSXKNHZKC-RISCZKNCSA-N 1 0 245.326 2.137 10 0 BEAERO COc1cccc2c(OCC[NH3+])cccc12 ZINC000095559708 175299826 /nfs/dbraw/zinc/29/98/26/175299826.db2.gz DBZUSOBFCUMAQI-UHFFFAOYSA-N 1 0 217.268 2.186 10 0 BEAERO COc1cccc2ccc(C[C@H](C)[NH3+])nc21 ZINC000062572187 175307443 /nfs/dbraw/zinc/30/74/43/175307443.db2.gz GJQJPRMXTPXACE-VIFPVBQESA-N 1 0 216.284 2.133 10 0 BEAERO COc1ccccc1-c1cncc(C[NH3+])c1 ZINC000082642478 175309805 /nfs/dbraw/zinc/30/98/05/175309805.db2.gz MRVQXNSHURRODC-UHFFFAOYSA-N 1 0 214.268 2.216 10 0 BEAERO COc1ccccc1C(=O)CC[NH2+]C(C)C ZINC000049818365 175316778 /nfs/dbraw/zinc/31/67/78/175316778.db2.gz GEGYZTVCCBTCPJ-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO COc1ccccc1C(=O)[C@@H](C[NH3+])C(C)C ZINC000082364288 175318699 /nfs/dbraw/zinc/31/86/99/175318699.db2.gz ZOLRUHNRMDZAHS-NSHDSACASA-N 1 0 221.300 2.109 10 0 BEAERO COc1ccccc1CN(CC[NH3+])C(C)(C)C ZINC000076619651 175326003 /nfs/dbraw/zinc/32/60/03/175326003.db2.gz CSQVFRHADWKJIH-UHFFFAOYSA-N 1 0 236.359 2.254 10 0 BEAERO COc1ccccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052762114 175327732 /nfs/dbraw/zinc/32/77/32/175327732.db2.gz HCQNDWNFTYKVDQ-AWEZNQCLSA-N 1 0 249.354 2.432 10 0 BEAERO COc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000152307361 175330447 /nfs/dbraw/zinc/33/04/47/175330447.db2.gz BQRYUQBQCZVWMN-ZIAGYGMSSA-N 1 0 249.354 2.336 10 0 BEAERO COc1ccccc1C[C@@]1(C)CC[NH2+]C1 ZINC000051955216 175332895 /nfs/dbraw/zinc/33/28/95/175332895.db2.gz LJAJFMNEWWGWSI-CYBMUJFWSA-N 1 0 205.301 2.237 10 0 BEAERO COc1ccccc1C[C@@H](C[NH3+])C(C)C ZINC000041216373 175333098 /nfs/dbraw/zinc/33/30/98/175333098.db2.gz LYAVLMPZWVVEGY-LBPRGKRZSA-N 1 0 207.317 2.469 10 0 BEAERO COc1ccccc1C[C@]1(C)CC[NH2+]C1 ZINC000051955218 175333639 /nfs/dbraw/zinc/33/36/39/175333639.db2.gz LJAJFMNEWWGWSI-ZDUSSCGKSA-N 1 0 205.301 2.237 10 0 BEAERO COc1ccccc1Cc1nc(CC[NH3+])cs1 ZINC000041301423 175334953 /nfs/dbraw/zinc/33/49/53/175334953.db2.gz ITKQTYLJRLDCNY-UHFFFAOYSA-N 1 0 248.351 2.244 10 0 BEAERO COc1ccccc1N(C)CC[NH2+]CC(C)C ZINC000052513053 175336240 /nfs/dbraw/zinc/33/62/40/175336240.db2.gz ZCLTZJJDBJYNQR-UHFFFAOYSA-N 1 0 236.359 2.377 10 0 BEAERO COc1ccccc1NC(=O)[C@H]([NH3+])CC(C)C ZINC000019507697 175336837 /nfs/dbraw/zinc/33/68/37/175336837.db2.gz JGIOGBAFIRGIJO-SNVBAGLBSA-N 1 0 236.315 2.007 10 0 BEAERO COc1ccccc1NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019430431 175336970 /nfs/dbraw/zinc/33/69/70/175336970.db2.gz YYXFZCNXRFNKQD-MNOVXSKESA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccccc1NC[C@H]1CCC[NH2+]C1 ZINC000041234287 175338034 /nfs/dbraw/zinc/33/80/34/175338034.db2.gz BDWXBHZYRGCISP-NSHDSACASA-N 1 0 220.316 2.107 10 0 BEAERO COc1ccccc1N[C@H](C[NH3+])c1cccnc1 ZINC000057534192 175338731 /nfs/dbraw/zinc/33/87/31/175338731.db2.gz GLLGNZLEAHEVHR-CYBMUJFWSA-N 1 0 243.310 2.202 10 0 BEAERO COc1ccccc1Nc1cc(N)cc[nH+]1 ZINC000043568539 175340076 /nfs/dbraw/zinc/34/00/76/175340076.db2.gz XXSXPQUYXQTLOO-UHFFFAOYSA-N 1 0 215.256 2.416 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])C[C@@H]1CCCO1 ZINC000037466770 175346947 /nfs/dbraw/zinc/34/69/47/175346947.db2.gz DYTYLICZXXAQEH-JQWIXIFHSA-N 1 0 221.300 2.264 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000082364252 175347669 /nfs/dbraw/zinc/34/76/69/175347669.db2.gz RYVKMRKYAXMVDX-MFKMUULPSA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])Cn1nc(C)cc1C ZINC000023066708 175347782 /nfs/dbraw/zinc/34/77/82/175347782.db2.gz PMLCWDKWKZWRIC-ZDUSSCGKSA-N 1 0 245.326 2.209 10 0 BEAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCCC1 ZINC000043096602 175349180 /nfs/dbraw/zinc/34/91/80/175349180.db2.gz NDMSVXBADPAGEN-BXUZGUMPSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccccc1[C@H](N)C[N@H+](C)CC(C)C ZINC000037108347 175353188 /nfs/dbraw/zinc/35/31/88/175353188.db2.gz FSSKDXJMNXOQOU-CYBMUJFWSA-N 1 0 236.359 2.283 10 0 BEAERO COc1ccccc1[C@H](O)C[NH+]1CCCCC1 ZINC000019784932 175354430 /nfs/dbraw/zinc/35/44/30/175354430.db2.gz GKILLQMBDUYYPL-CYBMUJFWSA-N 1 0 235.327 2.215 10 0 BEAERO COc1ccccc1[C@H](O)[C@H]([NH3+])CC(C)C ZINC000032014652 175354645 /nfs/dbraw/zinc/35/46/45/175354645.db2.gz USROZQCQFVCXSK-YPMHNXCESA-N 1 0 223.316 2.102 10 0 BEAERO COc1ccnc(Nc2ccccc2[C@H](C)[NH3+])n1 ZINC000104312935 175367976 /nfs/dbraw/zinc/36/79/76/175367976.db2.gz BVIPCOJLTFIHNU-VIFPVBQESA-N 1 0 244.298 2.249 10 0 BEAERO CSc1ccc2c(c1)CCC[C@@H]([NH3+])[C@@H]2O ZINC000026638165 175579274 /nfs/dbraw/zinc/57/92/74/175579274.db2.gz HEJFBJXFBNUNLQ-VXGBXAGGSA-N 1 0 223.341 2.106 10 0 BEAERO C[C@@H](CC1CC1)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000070534050 175655964 /nfs/dbraw/zinc/65/59/64/175655964.db2.gz OLUDZKJPJBIZAO-SMDDNHRTSA-N 1 0 246.354 2.034 10 0 BEAERO C[C@@H](CCC[NH3+])C(=O)N(C)Cc1ccccc1 ZINC000076616855 175665206 /nfs/dbraw/zinc/66/52/06/175665206.db2.gz KPAKXXRRKPQBQL-LBPRGKRZSA-N 1 0 234.343 2.020 10 0 BEAERO C[C@@H](C[NH3+])Cc1cccc2cnccc21 ZINC000082763063 175709135 /nfs/dbraw/zinc/70/91/35/175709135.db2.gz PMCBZPZPZLWFHC-SNVBAGLBSA-N 1 0 200.285 2.372 10 0 BEAERO C[C@@H](N(C)C(=O)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000037807084 175790996 /nfs/dbraw/zinc/79/09/96/175790996.db2.gz LYOYREAESZWZQI-GHMZBOCLSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@@H]([NH3+])CCCOc1ccc(F)cc1F ZINC000041228099 175805095 /nfs/dbraw/zinc/80/50/95/175805095.db2.gz PXFQCMCMTZXTPK-MRVPVSSYSA-N 1 0 215.243 2.471 10 0 BEAERO C[C@@H]([NH3+])Cc1ccnc(-c2ccsc2)n1 ZINC000054834424 175807540 /nfs/dbraw/zinc/80/75/40/175807540.db2.gz JYBBBHUBFCBAKW-MRVPVSSYSA-N 1 0 219.313 2.095 10 0 BEAERO C[C@@H]([NH3+])Cc1nc(-c2cc(F)ccc2F)c[nH]1 ZINC000037608982 175807937 /nfs/dbraw/zinc/80/79/37/175807937.db2.gz MCCGLSWSAVSCED-SSDOTTSWSA-N 1 0 237.253 2.245 10 0 BEAERO C[C@@H]([NH3+])[C@@H](O)c1cccc(Cl)c1Cl ZINC000020216718 175809272 /nfs/dbraw/zinc/80/92/72/175809272.db2.gz ZPQPZNIPSWDAAB-MLUIRONXSA-N 1 0 220.099 2.374 10 0 BEAERO C[C@@H]([NH3+])[C@@H](O)c1csc2ccccc21 ZINC000054462709 175809461 /nfs/dbraw/zinc/80/94/61/175809461.db2.gz IVSAJQVGDHYKQU-RDDDGLTNSA-N 1 0 207.298 2.282 10 0 BEAERO C[C@@H]([NH3+])[C@@H](Sc1nccn1C)C(C)(C)C ZINC000043297363 175809752 /nfs/dbraw/zinc/80/97/52/175809752.db2.gz OQHDRXRKQLMJGP-RKDXNWHRSA-N 1 0 227.377 2.274 10 0 BEAERO C[C@@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccsc1 ZINC000043125833 175812797 /nfs/dbraw/zinc/81/27/97/175812797.db2.gz IMFDDGRPJKRRIZ-SVRRBLITSA-N 1 0 240.357 2.047 10 0 BEAERO C[C@@H]([NH3+])c1cccc(OC[C@H]2CCOC2)c1 ZINC000041045948 175818188 /nfs/dbraw/zinc/81/81/88/175818188.db2.gz AHOGSWFRWPZNQS-MNOVXSKESA-N 1 0 221.300 2.122 10 0 BEAERO C[C@@H]([NH2+]CC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000015482359 175866957 /nfs/dbraw/zinc/86/69/57/175866957.db2.gz KXZWKUCSZKTCNO-ZCFIWIBFSA-N 1 0 247.125 2.129 10 0 BEAERO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)C1CC1 ZINC000037889590 175886351 /nfs/dbraw/zinc/88/63/51/175886351.db2.gz DUKZLUBSPFUBCW-AMIZOPFISA-N 1 0 241.281 2.386 10 0 BEAERO C[C@@H](OCCC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068641 176002110 /nfs/dbraw/zinc/00/21/10/176002110.db2.gz NPBBNFWQRANISR-OLZOCXBDSA-N 1 0 249.358 2.477 10 0 BEAERO C[C@@H](OC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000095068461 176002190 /nfs/dbraw/zinc/00/21/90/176002190.db2.gz ZNGVASADCNMTRT-MNOVXSKESA-N 1 0 209.289 2.499 10 0 BEAERO C[C@@H](OCC1CC[NH2+]CC1)c1ccco1 ZINC000095068555 176002604 /nfs/dbraw/zinc/00/26/04/176002604.db2.gz KRLWUSWHKGWJAF-SNVBAGLBSA-N 1 0 209.289 2.357 10 0 BEAERO C[C@@H](OC[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068507 176002996 /nfs/dbraw/zinc/00/29/96/176002996.db2.gz YANYPGFYOYFZCD-MNOVXSKESA-N 1 0 208.305 2.092 10 0 BEAERO C[C@@H]([C@H]([NH3+])c1ccccc1)n1cccn1 ZINC000023069472 176011994 /nfs/dbraw/zinc/01/19/94/176011994.db2.gz QXCGMKHNKONLCC-JQWIXIFHSA-N 1 0 201.273 2.144 10 0 BEAERO C[C@@H](c1cccc(N)c1)N(C)CC[NH+]1CCCC1 ZINC000063050683 176018164 /nfs/dbraw/zinc/01/81/64/176018164.db2.gz ILBLNXALYSEDMQ-ZDUSSCGKSA-N 1 0 247.386 2.357 10 0 BEAERO C[C@H](c1nc(CC[NH3+])c[nH]1)c1ccccc1 ZINC000005115883 176024330 /nfs/dbraw/zinc/02/43/30/176024330.db2.gz OSUZWMQGCNXLQN-JTQLQIEISA-N 1 0 215.300 2.063 10 0 BEAERO C[C@@H](c1ccco1)N1CCC[NH2+]CCC1 ZINC000049666203 176032573 /nfs/dbraw/zinc/03/25/73/176032573.db2.gz ILXMQZVHHSMZIW-NSHDSACASA-N 1 0 208.305 2.026 10 0 BEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000251559154 176076664 /nfs/dbraw/zinc/07/66/64/176076664.db2.gz AFXCZAKZGSYYME-NDBYEHHHSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nccn1C ZINC000040638576 176080712 /nfs/dbraw/zinc/08/07/12/176080712.db2.gz NOYVIULOYKGVDQ-NEPJUHHUSA-N 1 0 221.348 2.131 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152233 176080718 /nfs/dbraw/zinc/08/07/18/176080718.db2.gz UGSLQOUTAXOKRB-XVSSEFHLSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCCC[C@@H]1OC(=O)C1CC[NH2+]CC1 ZINC000048633332 176082765 /nfs/dbraw/zinc/08/27/65/176082765.db2.gz AHZCBMROQPFSMA-PWSUYJOCSA-N 1 0 225.332 2.108 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC000034937814 176088486 /nfs/dbraw/zinc/08/84/86/176088486.db2.gz CSUDAPHSSUXYJZ-GHMZBOCLSA-N 1 0 207.321 2.088 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncn1 ZINC000054788661 176088798 /nfs/dbraw/zinc/08/87/98/176088798.db2.gz JETFDLPEBCNVBU-ZYHUDNBSSA-N 1 0 205.305 2.145 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000113262411 176094236 /nfs/dbraw/zinc/09/42/36/176094236.db2.gz AACAJTULPLRYFA-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(N)cc2)C1 ZINC000051323886 176099293 /nfs/dbraw/zinc/09/92/93/176099293.db2.gz FBZPVTYEBYZUCK-RISCZKNCSA-N 1 0 234.343 2.034 10 0 BEAERO C[C@@H]1CCC[N@H+](Cc2ccoc2CN)[C@@H]1C ZINC000052373330 176100964 /nfs/dbraw/zinc/10/09/64/176100964.db2.gz YFYSRECPIKLZJG-GHMZBOCLSA-N 1 0 222.332 2.359 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044117588 176103710 /nfs/dbraw/zinc/10/37/10/176103710.db2.gz GPRANTOFKJBPLY-KYOSRNDESA-N 1 0 247.338 2.213 10 0 BEAERO C[C@@H]([NH3+])c1cnc(N2CCC[C@@H](C)C2)s1 ZINC000054864288 176103980 /nfs/dbraw/zinc/10/39/80/176103980.db2.gz ZBZQFERRNGHXCH-RKDXNWHRSA-N 1 0 225.361 2.399 10 0 BEAERO C[C@@H]1CCC[N@@H+]1Cc1nc(N)ccc1Cl ZINC000061630523 176109965 /nfs/dbraw/zinc/10/99/65/176109965.db2.gz MSNCXILMPFDGCN-MRVPVSSYSA-N 1 0 225.723 2.302 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000037910425 176110381 /nfs/dbraw/zinc/11/03/81/176110381.db2.gz WIINAICUMDAIQJ-RNCFNFMXSA-N 1 0 240.297 2.449 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N2CCC(C)(C)CC2)[NH2+]1 ZINC000061822072 176112675 /nfs/dbraw/zinc/11/26/75/176112675.db2.gz IFAHKTSEIMZUBT-NEPJUHHUSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000367583444 176123684 /nfs/dbraw/zinc/12/36/84/176123684.db2.gz DEQXSGJGAHBFAT-VEGXAWMVSA-N 1 0 209.333 2.047 10 0 BEAERO C[C@@H]1CCC[C@@H](c2ncc(CC[NH3+])cn2)C1 ZINC000054857382 176125795 /nfs/dbraw/zinc/12/57/95/176125795.db2.gz PSOMQYKOWMXHLW-ZYHUDNBSSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071209101 176128469 /nfs/dbraw/zinc/12/84/69/176128469.db2.gz RPCJUKPNYFOKQY-AGIUHOORSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cscn2)C1 ZINC000053117425 176133530 /nfs/dbraw/zinc/13/35/30/176133530.db2.gz CICZHGLUYNPLFD-ZYHUDNBSSA-N 1 0 240.372 2.174 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)N(C)c2ccccc2)[NH2+]1 ZINC000019480172 176134735 /nfs/dbraw/zinc/13/47/35/176134735.db2.gz RSCSVPBVYQWVLN-DGCLKSJQSA-N 1 0 232.327 2.180 10 0 BEAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCCC1(C)C ZINC000063075173 176140856 /nfs/dbraw/zinc/14/08/56/176140856.db2.gz WLDMPLUPZPIHEA-GRYCIOLGSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)[C@@H]1C ZINC000309644218 176143919 /nfs/dbraw/zinc/14/39/19/176143919.db2.gz VOGPTNNRKMASRM-KJKVDNPUSA-N 1 0 223.360 2.293 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cncnc2)[C@@H]1C ZINC000054766994 176144506 /nfs/dbraw/zinc/14/45/06/176144506.db2.gz VFCLRZGZOZYXMS-WZRBSPASSA-N 1 0 219.332 2.391 10 0 BEAERO C[C@@H]1CCC[C@H](c2ncc(CC[NH3+])cn2)C1 ZINC000054857379 176147196 /nfs/dbraw/zinc/14/71/96/176147196.db2.gz PSOMQYKOWMXHLW-PWSUYJOCSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@@H]1CCN(CCc2ccccc2F)CC[NH2+]1 ZINC000049661273 176171327 /nfs/dbraw/zinc/17/13/27/176171327.db2.gz WNMRGIKIVHZQJX-GFCCVEGCSA-N 1 0 236.334 2.052 10 0 BEAERO C[C@@H]1CCN(Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000049662450 176174800 /nfs/dbraw/zinc/17/48/00/176174800.db2.gz ZAWGIQDQGCGZJQ-SNVBAGLBSA-N 1 0 240.297 2.149 10 0 BEAERO C[C@@H]1CCN(Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000235338216 176175260 /nfs/dbraw/zinc/17/52/60/176175260.db2.gz MTWYKUKJOALOHN-DGCLKSJQSA-N 1 0 236.334 2.385 10 0 BEAERO C[C@@H]1CCN(Cc2ccccn2)CC[C@@H](C)[NH2+]1 ZINC000049666520 176175382 /nfs/dbraw/zinc/17/53/82/176175382.db2.gz GGZSFOUYDYQNTR-CHWSQXEVSA-N 1 0 233.359 2.044 10 0 BEAERO C[C@@H]1CCN(c2cccc(F)c2F)CC[NH2+]1 ZINC000049662302 176181594 /nfs/dbraw/zinc/18/15/94/176181594.db2.gz SNQLMBXDTMMQSW-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1nc2ccccc2o1 ZINC000335656461 176185163 /nfs/dbraw/zinc/18/51/63/176185163.db2.gz ILJFMUZQDUUWQW-KOLCDFICSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2F)C[NH2+]1 ZINC000019428137 176196764 /nfs/dbraw/zinc/19/67/64/176196764.db2.gz CXVABHIMEXLIOG-NXEZZACHSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]CCCn2ccnn2)[C@H](C)C1 ZINC000126466132 176212117 /nfs/dbraw/zinc/21/21/17/176212117.db2.gz YMIHSZMQWNSPGE-JHJVBQTASA-N 1 0 236.363 2.083 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)Nc2ccccc2)C[NH2+]1 ZINC000019519365 176221429 /nfs/dbraw/zinc/22/14/29/176221429.db2.gz MTOAFWZASMZHRK-MNOVXSKESA-N 1 0 218.300 2.013 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2)C[NH2+]1 ZINC000019802778 176221503 /nfs/dbraw/zinc/22/15/03/176221503.db2.gz WHAXYXURPMGGSF-ZJUUUORDSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](N(C)Cc2ccccn2)C1 ZINC000036777408 176228853 /nfs/dbraw/zinc/22/88/53/176228853.db2.gz AHZPUMWMZYAHIR-KWCYVHTRSA-N 1 0 233.359 2.029 10 0 BEAERO C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C[NH2+]1 ZINC000261508952 176232509 /nfs/dbraw/zinc/23/25/09/176232509.db2.gz YPDCQVQEFUIYNC-YPMHNXCESA-N 1 0 248.326 2.053 10 0 BEAERO C[C@@H]1CCc2cc3c(cc2[C@@H]([NH3+])C1)OCCO3 ZINC000061831645 176239311 /nfs/dbraw/zinc/23/93/11/176239311.db2.gz JEJXMFBDOSXIQF-SKDRFNHKSA-N 1 0 233.311 2.430 10 0 BEAERO C[C@@H]1CCc2nc(CCC[NH3+])sc2C1 ZINC000011632099 176240053 /nfs/dbraw/zinc/24/00/53/176240053.db2.gz RHTRLJNCLXYBQV-MRVPVSSYSA-N 1 0 210.346 2.159 10 0 BEAERO C[C@@H]1C[N@@H+](C(C)(C)CC(C)(C)C)CCN1 ZINC000083062920 176265633 /nfs/dbraw/zinc/26/56/33/176265633.db2.gz BXDUAGOJJFRNCZ-LLVKDONJSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1CN(c2ccc(Cl)cn2)C[C@@]1(C)C[NH3+] ZINC000335285354 176318977 /nfs/dbraw/zinc/31/89/77/176318977.db2.gz LOACOVPMDCNCOU-BXKDBHETSA-N 1 0 239.750 2.156 10 0 BEAERO C[C@@H]1CN(c2ccccc2Cl)[NH+]=C1N ZINC000114824426 176319709 /nfs/dbraw/zinc/31/97/09/176319709.db2.gz YOKCVNKRYVKRGP-SSDOTTSWSA-N 1 0 209.680 2.068 10 0 BEAERO C[C@@H]1CN(c2ccnc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000229736743 176319780 /nfs/dbraw/zinc/31/97/80/176319780.db2.gz DKFUKBFILGTRLY-KOLCDFICSA-N 1 0 239.750 2.121 10 0 BEAERO C[C@@H]1CN(c2nsc3ccccc32)CC[NH2+]1 ZINC000095069525 176321412 /nfs/dbraw/zinc/32/14/12/176321412.db2.gz NDERLKDXZKSKEP-SECBINFHSA-N 1 0 233.340 2.094 10 0 BEAERO C[C@@H]1CN(c2ncccc2Cl)C[C@@]1(C)C[NH3+] ZINC000335285920 176321458 /nfs/dbraw/zinc/32/14/58/176321458.db2.gz USZAZWAXRBLGBN-BXKDBHETSA-N 1 0 239.750 2.156 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccsc1 ZINC000072324637 176324266 /nfs/dbraw/zinc/32/42/66/176324266.db2.gz OENMGDLWRDXQIX-YPMHNXCESA-N 1 0 236.384 2.417 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(c2cccc(F)c2)C1 ZINC000049662837 176324526 /nfs/dbraw/zinc/32/45/26/176324526.db2.gz RJEJPSRJHHRCOW-LLVKDONJSA-N 1 0 222.307 2.262 10 0 BEAERO C[C@@H]1C[NH2+]CCN(c2cc(F)ccc2F)C1 ZINC000049661132 176325931 /nfs/dbraw/zinc/32/59/31/176325931.db2.gz IJNYROVJUOVBIF-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[C@@H]1CNCC[N@@H+]1CC12CC3CC(CC(C3)C1)C2 ZINC000054372332 176326747 /nfs/dbraw/zinc/32/67/47/176326747.db2.gz FRITVCYSWAGGRC-DYCFOQDWSA-N 1 0 248.414 2.497 10 0 BEAERO C[C@@H]1CNCC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000083086971 176327104 /nfs/dbraw/zinc/32/71/04/176327104.db2.gz YJMJNWMFMHSXIG-LLVKDONJSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(Cl)cc2)O1 ZINC000032012624 176328876 /nfs/dbraw/zinc/32/88/76/176328876.db2.gz ZPPLDXZOMDZUSQ-KCJUWKMLSA-N 1 0 211.692 2.389 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2ccc(F)cc2F)O1 ZINC000036673236 176330194 /nfs/dbraw/zinc/33/01/94/176330194.db2.gz DZZBMQZTFQSKLM-RDDDGLTNSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000279947652 176342633 /nfs/dbraw/zinc/34/26/33/176342633.db2.gz BNVWJSUDSJUKMF-SWHYSGLUSA-N 1 0 247.338 2.394 10 0 BEAERO C[C@@H]1CSC(NCCc2ccsc2)=[NH+]1 ZINC000049185318 176349015 /nfs/dbraw/zinc/34/90/15/176349015.db2.gz GHFBXIGOKLTZJK-MRVPVSSYSA-N 1 0 226.370 2.372 10 0 BEAERO C[C@@H](NC1=[NH+][C@H](C)CS1)c1cccnc1 ZINC000035692464 176349194 /nfs/dbraw/zinc/34/91/94/176349194.db2.gz NURRXWLYUJDEIH-RKDXNWHRSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]Cc2nnc[nH]2)CC(C)(C)C1 ZINC000037919058 176377914 /nfs/dbraw/zinc/37/79/14/176377914.db2.gz AVWSJJOLLRCAOM-NXEZZACHSA-N 1 0 222.336 2.109 10 0 BEAERO C[C@@H]1C[C@@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052554809 176386305 /nfs/dbraw/zinc/38/63/05/176386305.db2.gz INLSVMPZQMNKLL-XBFCOCLRSA-N 1 0 246.354 2.062 10 0 BEAERO C[C@@H]1C[C@@H]1CN(C)[C@@H](C[NH3+])c1ccccc1F ZINC000104428398 176391512 /nfs/dbraw/zinc/39/15/12/176391512.db2.gz XLUXKQHBEPTBAB-GYSYKLTISA-N 1 0 236.334 2.413 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)N(C)C ZINC000036794195 176424018 /nfs/dbraw/zinc/42/40/18/176424018.db2.gz BIWNYDKDKDHDPT-WOPDTQHZSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1C=CCCCCC1 ZINC000339156501 176456375 /nfs/dbraw/zinc/45/63/75/176456375.db2.gz GEFIHEGNURRKDK-YNEHKIRRSA-N 1 0 236.359 2.132 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000190419963 176480178 /nfs/dbraw/zinc/48/01/78/176480178.db2.gz DAYQRXGNBZTSIR-LOWDOPEQSA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]CCc1ccsc1 ZINC000119990989 176480668 /nfs/dbraw/zinc/48/06/68/176480668.db2.gz APTTXINYKXQMGN-GXSJLCMTSA-N 1 0 211.330 2.058 10 0 BEAERO C[C@@](O)(c1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000071535727 176520925 /nfs/dbraw/zinc/52/09/25/176520925.db2.gz ASYXWNGTMUYEQT-XVKPBYJWSA-N 1 0 231.748 2.361 10 0 BEAERO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CCF)[S@](C)=O ZINC000309762255 176629846 /nfs/dbraw/zinc/62/98/46/176629846.db2.gz MVRVOMNAKMQXQB-QHSOUUPTSA-N 1 0 249.395 2.261 10 0 BEAERO C[C@H](C[NH3+])CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000076628241 176657404 /nfs/dbraw/zinc/65/74/04/176657404.db2.gz FMIJLXBVBNWCDS-ZETCQYMHSA-N 1 0 244.697 2.403 10 0 BEAERO C[C@H](C[NH+]1CCCC1)Nc1cc(N)cc(F)c1 ZINC000042598695 176664176 /nfs/dbraw/zinc/66/41/76/176664176.db2.gz PBOXSPAQOQSAIC-SNVBAGLBSA-N 1 0 237.322 2.304 10 0 BEAERO C[C@H]([NH3+])Cc1noc(-c2ccccc2Cl)n1 ZINC000054161307 176763399 /nfs/dbraw/zinc/76/33/99/176763399.db2.gz PXYXNEZPSXTEBZ-ZETCQYMHSA-N 1 0 237.690 2.280 10 0 BEAERO C[C@H]([NH3+])[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000041054120 176769863 /nfs/dbraw/zinc/76/98/63/176769863.db2.gz NQXQJEIEFQUATN-UWVGGRQHSA-N 1 0 205.301 2.290 10 0 BEAERO C[C@H]([NH3+])[C@H](O)c1cccc2ccccc21 ZINC000020216877 176771273 /nfs/dbraw/zinc/77/12/73/176771273.db2.gz JPXHVMVICUNHJZ-ZANVPECISA-N 1 0 201.269 2.220 10 0 BEAERO C[C@H]([NH3+])[C@H](OC[C@@H]1CCOC1)c1ccccc1 ZINC000042904369 176771370 /nfs/dbraw/zinc/77/13/70/176771370.db2.gz ULSLMHZVJRCFJR-SCRDCRAPSA-N 1 0 235.327 2.128 10 0 BEAERO C[C@H]([NH3+])c1nnc(Cc2ccccc2F)s1 ZINC000083337462 176783423 /nfs/dbraw/zinc/78/34/23/176783423.db2.gz QCLSJEFERAYLFY-ZETCQYMHSA-N 1 0 237.303 2.288 10 0 BEAERO C[C@H]([NH2+]CCC(=O)N1CCCC1)C1CCCC1 ZINC000054077605 176839182 /nfs/dbraw/zinc/83/91/82/176839182.db2.gz ARFVTPFODSBRQH-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000086629674 176856083 /nfs/dbraw/zinc/85/60/83/176856083.db2.gz BLVZODCUMGHRFE-NEPJUHHUSA-N 1 0 233.355 2.454 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC000135285752 176875043 /nfs/dbraw/zinc/87/50/43/176875043.db2.gz FULDWSFHBXENKB-RYUDHWBXSA-N 1 0 233.355 2.282 10 0 BEAERO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H](C)CO ZINC000122040067 176911730 /nfs/dbraw/zinc/91/17/30/176911730.db2.gz NJRBCRKHZBHPJF-TUAOUCFPSA-N 1 0 239.334 2.363 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)C1CCSCC1 ZINC000309014756 176924717 /nfs/dbraw/zinc/92/47/17/176924717.db2.gz TYTMCNPOVHLZLG-UMNHJUIQSA-N 1 0 229.389 2.285 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000135311160 176924944 /nfs/dbraw/zinc/92/49/44/176924944.db2.gz GFYXLULFPXGNAZ-WDMOLILDSA-N 1 0 247.338 2.450 10 0 BEAERO C[C@H](OCCCC(N)=[NH2+])c1ccccc1 ZINC000019482674 177020771 /nfs/dbraw/zinc/02/07/71/177020771.db2.gz ZRZQFHUKISBNFS-JTQLQIEISA-N 1 0 206.289 2.480 10 0 BEAERO C[C@H](OC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000095068462 177020782 /nfs/dbraw/zinc/02/07/82/177020782.db2.gz ZNGVASADCNMTRT-WDEREUQCSA-N 1 0 209.289 2.499 10 0 BEAERO C[C@H](OCC[NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000053554492 177020828 /nfs/dbraw/zinc/02/08/28/177020828.db2.gz ALCWMBVVILXQHD-KBPBESRZSA-N 1 0 249.354 2.390 10 0 BEAERO C[C@H](OCCC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068642 177021151 /nfs/dbraw/zinc/02/11/51/177021151.db2.gz NPBBNFWQRANISR-QWHCGFSZSA-N 1 0 249.358 2.477 10 0 BEAERO C[C@H](Oc1ccccc1Cl)C1=[NH+]CCN1 ZINC000073314280 177024613 /nfs/dbraw/zinc/02/46/13/177024613.db2.gz ARHDCTCZSSOSFG-QMMMGPOBSA-N 1 0 224.691 2.109 10 0 BEAERO C[C@H]([C@@H]([NH3+])c1ccccc1)N(C)C1CC1 ZINC000037080934 177030663 /nfs/dbraw/zinc/03/06/63/177030663.db2.gz UFEQFKMSUZHZAL-ZWNOBZJWSA-N 1 0 204.317 2.169 10 0 BEAERO C[C@H](c1ccc(Cl)s1)N1C[C@@H]([NH3+])CC1=O ZINC000042593125 177033025 /nfs/dbraw/zinc/03/30/25/177033025.db2.gz NBTWLIRMEMQKKE-RQJHMYQMSA-N 1 0 244.747 2.022 10 0 BEAERO C[C@H](c1cccc(N)n1)[NH+]1CCCCC1 ZINC000238402859 177036184 /nfs/dbraw/zinc/03/61/84/177036184.db2.gz UIDNNDPXZAFZCK-SNVBAGLBSA-N 1 0 205.305 2.211 10 0 BEAERO C[C@H](c1ccccc1)[C@@H]([NH2+]C1CCCC1)C(N)=O ZINC000041085358 177039946 /nfs/dbraw/zinc/03/99/46/177039946.db2.gz IUMKWPVWNIGIKT-BXUZGUMPSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@H](c1ccccc1)N1CC[C@@]2(CCC[NH2+]2)C1=O ZINC000095936739 177040107 /nfs/dbraw/zinc/04/01/07/177040107.db2.gz QMWOZZGFRDKLFO-DOMZBBRYSA-N 1 0 244.338 2.102 10 0 BEAERO C[C@H](c1ccccc1)[C@H]([NH2+]C1CCCC1)C(N)=O ZINC000041085353 177040727 /nfs/dbraw/zinc/04/07/27/177040727.db2.gz IUMKWPVWNIGIKT-RISCZKNCSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@H](c1cccs1)N1CCC[C@@H]1C[NH3+] ZINC000095068289 177048445 /nfs/dbraw/zinc/04/84/45/177048445.db2.gz BWCOTXLGXJMJTJ-NXEZZACHSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC000022110428 177051820 /nfs/dbraw/zinc/05/18/20/177051820.db2.gz DXAWFDYTCDIDFS-SNVBAGLBSA-N 1 0 210.346 2.104 10 0 BEAERO C[C@H]1CCCCN1C(=O)CC1CCC([NH3+])CC1 ZINC000055121981 177072169 /nfs/dbraw/zinc/07/21/69/177072169.db2.gz ZCVOWYPUWMDMFV-HIFPTAJRSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CCNCc1ccccn1 ZINC000053343362 177075791 /nfs/dbraw/zinc/07/57/91/177075791.db2.gz NTYLEYXJPXUGNX-ZDUSSCGKSA-N 1 0 233.359 2.046 10 0 BEAERO C[C@H]1CCCC[N@@H+]1[C@]1(CN)CCCSC1 ZINC000061589837 177078390 /nfs/dbraw/zinc/07/83/90/177078390.db2.gz FBANBKBHFFZLAP-RYUDHWBXSA-N 1 0 228.405 2.085 10 0 BEAERO C[C@H]1CCCC[C@@]1(CO)[NH2+]C1CCCC1 ZINC000038122659 177084846 /nfs/dbraw/zinc/08/48/46/177084846.db2.gz MGGDDVPKBSJHFY-AAEUAGOBSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1ccccn1 ZINC000036777248 177085006 /nfs/dbraw/zinc/08/50/06/177085006.db2.gz LCWDEMFVTRXTJG-ZFWWWQNUSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCCC[C@@]1(CN)[N@H+](C)CC1CC1 ZINC000037925263 177085664 /nfs/dbraw/zinc/08/56/64/177085664.db2.gz COXGYQIZLJDOFG-AAEUAGOBSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000050566564 177091945 /nfs/dbraw/zinc/09/19/45/177091945.db2.gz ICCKPQURTJKFSC-XQQFMLRXSA-N 1 0 238.375 2.166 10 0 BEAERO 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241.375 2.208 10 0 BEAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)c2ccccc2)C1 ZINC000104322328 177127468 /nfs/dbraw/zinc/12/74/68/177127468.db2.gz NHNVYOYYGKTZON-SWLSCSKDSA-N 1 0 246.354 2.324 10 0 BEAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccc2c(c1)OCO2 ZINC000077366243 177128239 /nfs/dbraw/zinc/12/82/39/177128239.db2.gz SZQNVOXIHLIZHF-HZMBPMFUSA-N 1 0 233.311 2.432 10 0 BEAERO C[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]1 ZINC000051573371 177133441 /nfs/dbraw/zinc/13/34/41/177133441.db2.gz XRNMGCXGUDXCSG-VHSXEESVSA-N 1 0 228.336 2.042 10 0 BEAERO C[C@H]1CCC[C@H](CNC(=O)CC(C)(C)C)[NH2+]1 ZINC000051572885 177133473 /nfs/dbraw/zinc/13/34/73/177133473.db2.gz VAKBVCPUXSHNFR-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H]1CCC[C@H](N(C)C(=O)C2([NH3+])CCCC2)C1 ZINC000042495042 177134600 /nfs/dbraw/zinc/13/46/00/177134600.db2.gz WAPOXYDTKFLJEZ-RYUDHWBXSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@H]1CCC[C@H](NC(=O)C[NH2+]C2CCCC2)C1 ZINC000037626147 177135392 /nfs/dbraw/zinc/13/53/92/177135392.db2.gz NAYACDWQXOXICJ-AAEUAGOBSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]CCOC[C@@H]2CCOC2)C1 ZINC000053591670 177136975 /nfs/dbraw/zinc/13/69/75/177136975.db2.gz CPPWQGXWDVPHKV-MJBXVCDLSA-N 1 0 241.375 2.208 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000044683799 177137263 /nfs/dbraw/zinc/13/72/63/177137263.db2.gz MCEHPZFJUMNZMR-RWMBFGLXSA-N 1 0 222.376 2.391 10 0 BEAERO C[C@H]1CCC[C@H](c2nccc(CC[NH3+])n2)C1 ZINC000054833580 177139319 /nfs/dbraw/zinc/13/93/19/177139319.db2.gz YOOGSXKKHJRWHQ-QWRGUYRKSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2ccc[nH]2)C1 ZINC000053117237 177143530 /nfs/dbraw/zinc/14/35/30/177143530.db2.gz TUMFQWIZEAPWBF-AAEUAGOBSA-N 1 0 222.332 2.046 10 0 BEAERO C[C@H]1CCC[C@](C[NH3+])(N(C)Cc2ccccn2)C1 ZINC000036777281 177143562 /nfs/dbraw/zinc/14/35/62/177143562.db2.gz DGHICEPDLNFVCI-ZFWWWQNUSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCC[C@](C[NH3+])(OC2CCOCC2)C1 ZINC000050503976 177143655 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ZINC000118565980 177194083 /nfs/dbraw/zinc/19/40/83/177194083.db2.gz YUFLNFVILZVKBO-WCQYABFASA-N 1 0 205.301 2.032 10 0 BEAERO C[C@H]1CC[C@H](C(=O)N(C)Cc2ccccc2)C[NH2+]1 ZINC000019429180 177196826 /nfs/dbraw/zinc/19/68/26/177196826.db2.gz BWMPNZUCOZIJHZ-JSGCOSHPSA-N 1 0 246.354 2.033 10 0 BEAERO C[C@H]1CC[C@H](CNC(=O)C2CCCCC2)C[NH2+]1 ZINC000062036582 177201738 /nfs/dbraw/zinc/20/17/38/177201738.db2.gz KAFFHHAJEPGRCD-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)OCc2ccccc2)C[NH2+]1 ZINC000261508949 177204948 /nfs/dbraw/zinc/20/49/48/177204948.db2.gz YPDCQVQEFUIYNC-AAEUAGOBSA-N 1 0 248.326 2.053 10 0 BEAERO C[C@H]1C[N@H+](C)CC[C@@H]1Nc1ccccc1 ZINC000073653723 177233810 /nfs/dbraw/zinc/23/38/10/177233810.db2.gz GDWQHRLREBUYNF-AAEUAGOBSA-N 1 0 204.317 2.439 10 0 BEAERO C[C@H]1C[N@H+](CCc2cccnc2)CCS1 ZINC000172161383 177253780 /nfs/dbraw/zinc/25/37/80/177253780.db2.gz GZAIXUZKYPFZKW-NSHDSACASA-N 1 0 222.357 2.061 10 0 BEAERO C[C@H]1CN(C[C@@H]2CCCO2)c2ccccc2C[NH2+]1 ZINC000062622210 177257592 /nfs/dbraw/zinc/25/75/92/177257592.db2.gz BNMQDSVJJWJSIC-JSGCOSHPSA-N 1 0 246.354 2.164 10 0 BEAERO C[C@@H]1CN([C@@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000022210909 177273552 /nfs/dbraw/zinc/27/35/52/177273552.db2.gz PAULONNZVSORPZ-SCRDCRAPSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H](c1cccs1)N1CC[NH2+][C@@H](C)C1 ZINC000100257009 177276482 /nfs/dbraw/zinc/27/64/82/177276482.db2.gz DGDZSAJTUFJHIH-VHSXEESVSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@@H]1C[N@H+]([C@H]2CNc3ccccc3C2)C[C@H](C)O1 ZINC000037761072 177276837 /nfs/dbraw/zinc/27/68/37/177276837.db2.gz HEOWVDLDMRJWBO-MBNYWOFBSA-N 1 0 246.354 2.132 10 0 BEAERO C[C@H]1CN(c2ccnc(Cl)c2)C[C@@H]1[NH+](C)C ZINC000229736747 177277395 /nfs/dbraw/zinc/27/73/95/177277395.db2.gz DKFUKBFILGTRLY-ONGXEEELSA-N 1 0 239.750 2.121 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(C)(F)F ZINC000336508074 177280021 /nfs/dbraw/zinc/28/00/21/177280021.db2.gz JNWDSGZHZCSRPZ-QWRGUYRKSA-N 1 0 232.318 2.200 10 0 BEAERO C[C@H]1C[NH+]=C(NCCc2ccsc2)S1 ZINC000049185313 177281466 /nfs/dbraw/zinc/28/14/66/177281466.db2.gz GFYJGMIBKCYBHG-QMMMGPOBSA-N 1 0 226.370 2.372 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@H](C)S1)c1ccccn1 ZINC000035695368 177282041 /nfs/dbraw/zinc/28/20/41/177282041.db2.gz XHCFEZHHLYGEEV-DTWKUNHWSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccccc1F ZINC000019801253 177286351 /nfs/dbraw/zinc/28/63/51/177286351.db2.gz OYFVSMMVZXGILN-QWRGUYRKSA-N 1 0 222.307 2.008 10 0 BEAERO C[C@H](c1ccccc1)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000039110025 177286735 /nfs/dbraw/zinc/28/67/35/177286735.db2.gz YXHFMWCYJGCYBL-FRRDWIJNSA-N 1 0 218.344 2.430 10 0 BEAERO C[C@H]1COC[C@H](C)N1Cc1ccsc1 ZINC000093607500 177300169 /nfs/dbraw/zinc/30/01/69/177300169.db2.gz MVFBSGDAYHOANR-UWVGGRQHSA-N 1 0 211.330 2.357 10 0 BEAERO C[C@H]1COC[C@H](C)N1Cc1ccc(F)cc1 ZINC000077365879 177300399 /nfs/dbraw/zinc/30/03/99/177300399.db2.gz TVUZHWOABBDPTF-QWRGUYRKSA-N 1 0 223.291 2.435 10 0 BEAERO C[C@H]1CO[C@@H](c2cccc(OC(F)F)c2)C[NH2+]1 ZINC000036673589 177300943 /nfs/dbraw/zinc/30/09/43/177300943.db2.gz WCQSQEUQNNZRCE-GZMMTYOYSA-N 1 0 243.253 2.337 10 0 BEAERO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2ccccc2n1 ZINC000335899853 177336953 /nfs/dbraw/zinc/33/69/53/177336953.db2.gz NMIQHPZFGAVQNX-SMDDNHRTSA-N 1 0 242.322 2.190 10 0 BEAERO C[C@H]1C[C@@H](c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000083101824 177338467 /nfs/dbraw/zinc/33/84/67/177338467.db2.gz LMHLNLARHRASSD-JQWIXIFHSA-N 1 0 233.311 2.313 10 0 BEAERO C[C@H]1C[C@@H]1CN(C)c1ccc(F)cc1CC[NH3+] ZINC000104409592 177342484 /nfs/dbraw/zinc/34/24/84/177342484.db2.gz TXZDNPUKYSUSPO-CMPLNLGQSA-N 1 0 236.334 2.419 10 0 BEAERO C[C@H]1C[C@@H]1C[N@H+](C)C1(CN)Cc2ccccc2C1 ZINC000104408191 177342504 /nfs/dbraw/zinc/34/25/04/177342504.db2.gz PTMLJWMOLGQTAH-SWLSCSKDSA-N 1 0 244.382 2.071 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000052273113 177349705 /nfs/dbraw/zinc/34/97/05/177349705.db2.gz GKVAQVAGGZXXBM-JQWIXIFHSA-N 1 0 233.311 2.346 10 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C[C@@]1(O)C[C@@](C)([NH3+])CC=C1c1ccccc1 ZINC000039109452 177467623 /nfs/dbraw/zinc/46/76/23/177467623.db2.gz AEJGYFICVMFGCY-UONOGXRCSA-N 1 0 217.312 2.332 10 0 BEAERO C[C@]1(c2cccs2)C[C@H]1C[NH2+][C@H]1CCOC1 ZINC000364021858 177480764 /nfs/dbraw/zinc/48/07/64/177480764.db2.gz KNELMSKISVHBLD-GVXVVHGQSA-N 1 0 237.368 2.404 10 0 BEAERO Cc1nc[nH]c1C[NH2+]Cc1cccs1 ZINC000054794217 177531243 /nfs/dbraw/zinc/53/12/43/177531243.db2.gz NUWQJIXULIWLNQ-UHFFFAOYSA-N 1 0 207.302 2.069 10 0 BEAERO Cc1nc[nH]c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000054797415 177532553 /nfs/dbraw/zinc/53/25/53/177532553.db2.gz RIGKASKYMAHLLT-LLVKDONJSA-N 1 0 205.305 2.164 10 0 BEAERO C[C@H](NCc1cc(F)ccc1F)[C@H]1CC[NH2+]C1 ZINC000400353146 225058171 /nfs/dbraw/zinc/05/81/71/225058171.db2.gz NNVFIACMRNNBEM-UWVGGRQHSA-N 1 0 240.297 2.052 10 0 BEAERO Cc1cccc(COC[C@]23CCC[C@@H]2C[NH2+]C3)n1 ZINC000503719512 226333152 /nfs/dbraw/zinc/33/31/52/226333152.db2.gz MJRRCRNFHHXCHT-UKRRQHHQSA-N 1 0 246.354 2.296 10 0 BEAERO OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000300412452 226369852 /nfs/dbraw/zinc/36/98/52/226369852.db2.gz TWUHGZHHAOVFDK-QEJZJMRPSA-N 1 0 231.339 2.425 10 0 BEAERO CC(C)OC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394154627 262713745 /nfs/dbraw/zinc/71/37/45/262713745.db2.gz JXPXYJXUOZRGNS-FOSCPWQOSA-N 1 0 240.347 2.088 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000228480327 487656884 /nfs/dbraw/zinc/65/68/84/487656884.db2.gz PZHBEXWADQRZJX-GRYCIOLGSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000228481503 487656896 /nfs/dbraw/zinc/65/68/96/487656896.db2.gz HUVDPNKNNYWLFB-JHJVBQTASA-N 1 0 240.391 2.445 10 0 BEAERO Cc1cc2ccccc2nc1NC[C@@H](C)[NH3+] ZINC000082575234 487677688 /nfs/dbraw/zinc/67/76/88/487677688.db2.gz YGDZIBOBFBYDPT-SNVBAGLBSA-N 1 0 215.300 2.302 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000054074545 487680610 /nfs/dbraw/zinc/68/06/10/487680610.db2.gz SHLVTOGVMIMSRF-NEPJUHHUSA-N 1 0 234.343 2.089 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000054075126 487682342 /nfs/dbraw/zinc/68/23/42/487682342.db2.gz WLIZHOTUOYASEO-LOWDOPEQSA-N 1 0 238.375 2.022 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000054075688 487683484 /nfs/dbraw/zinc/68/34/84/487683484.db2.gz XNYPQQPPALMRJS-RKDXNWHRSA-N 1 0 240.734 2.125 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1nccs1 ZINC000226268178 487694188 /nfs/dbraw/zinc/69/41/88/487694188.db2.gz HTUQMEFOXRLHQE-IVZWLZJFSA-N 1 0 226.345 2.097 10 0 BEAERO c1ccc2sc(N3CC[C@H]4C[NH2+]C[C@H]43)nc2c1 ZINC000036268562 262849180 /nfs/dbraw/zinc/84/91/80/262849180.db2.gz XSKAJIPUIGPJIZ-GXSJLCMTSA-N 1 0 245.351 2.094 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)s1 ZINC000226272501 487699740 /nfs/dbraw/zinc/69/97/40/487699740.db2.gz BBTXPKPFUISQPG-IVZWLZJFSA-N 1 0 226.345 2.016 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cs1 ZINC000328567975 487714973 /nfs/dbraw/zinc/71/49/73/487714973.db2.gz OPGPEJICJDZSCY-NEPJUHHUSA-N 1 0 225.357 2.450 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cs1 ZINC000328567977 487715206 /nfs/dbraw/zinc/71/52/06/487715206.db2.gz OPGPEJICJDZSCY-RYUDHWBXSA-N 1 0 225.357 2.450 10 0 BEAERO Cc1ccc(F)cc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136302785 487723343 /nfs/dbraw/zinc/72/33/43/487723343.db2.gz GZGFUOLRNJQONM-LLVKDONJSA-N 1 0 238.306 2.446 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cc(F)cc(F)c1 ZINC000136303350 487723602 /nfs/dbraw/zinc/72/36/02/487723602.db2.gz XSVCFJUILJNDJX-LLVKDONJSA-N 1 0 242.269 2.277 10 0 BEAERO CC[C@H](NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C(C)C ZINC000399531278 487746122 /nfs/dbraw/zinc/74/61/22/487746122.db2.gz RYTKCIHRQDZCJW-GRYCIOLGSA-N 1 0 228.380 2.157 10 0 BEAERO CC[C@H](NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C(C)C ZINC000399531280 487746133 /nfs/dbraw/zinc/74/61/33/487746133.db2.gz RYTKCIHRQDZCJW-SRVKXCTJSA-N 1 0 228.380 2.157 10 0 BEAERO CN(C(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000226459815 487751812 /nfs/dbraw/zinc/75/18/12/487751812.db2.gz GOXFICKIHCBYFR-CYBMUJFWSA-N 1 0 247.342 2.292 10 0 BEAERO CC[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000234047673 487760025 /nfs/dbraw/zinc/76/00/25/487760025.db2.gz HJLUNXWMFWHASI-NWDGAFQWSA-N 1 0 240.391 2.315 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000251504501 487761354 /nfs/dbraw/zinc/76/13/54/487761354.db2.gz DZLSMHGYUNZBHC-LOWDOPEQSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000300215317 487772280 /nfs/dbraw/zinc/77/22/80/487772280.db2.gz ZHDNNRNPCWHUFQ-KXUCPTDWSA-N 1 0 221.304 2.398 10 0 BEAERO C[C@H](CCC(C)(C)C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000120848346 487775477 /nfs/dbraw/zinc/77/54/77/487775477.db2.gz HCFDDBBECQDJLQ-RISCZKNCSA-N 1 0 240.391 2.460 10 0 BEAERO C[C@@H]1CCSCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000385403750 487785413 /nfs/dbraw/zinc/78/54/13/487785413.db2.gz OJWFUNCPPUXJPP-AGIUHOORSA-N 1 0 243.416 2.365 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251695319 487790846 /nfs/dbraw/zinc/79/08/46/487790846.db2.gz AZZCHCGSEFWKJE-MROQNXINSA-N 1 0 240.391 2.301 10 0 BEAERO CC[C@@H]1CN(c2ccncc2Cl)CC[C@H]1[NH3+] ZINC000251937715 487808404 /nfs/dbraw/zinc/80/84/04/487808404.db2.gz ZXAYPIRHSRDFIW-MWLCHTKSSA-N 1 0 239.750 2.299 10 0 BEAERO CCN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000089450746 487816969 /nfs/dbraw/zinc/81/69/69/487816969.db2.gz XAFYZRGSVVDRGH-AAEUAGOBSA-N 1 0 238.375 2.153 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1CCCCC1 ZINC000089450487 487817924 /nfs/dbraw/zinc/81/79/24/487817924.db2.gz XEUOYCVBYPLPRL-STQMWFEESA-N 1 0 238.375 2.058 10 0 BEAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089448556 487818286 /nfs/dbraw/zinc/81/82/86/487818286.db2.gz QEKSSYVJXBGHJP-WCQYABFASA-N 1 0 232.327 2.024 10 0 BEAERO C[C@H]1CCCN(c2ccncc2Cl)[C@H]1C[NH3+] ZINC000252151860 487819324 /nfs/dbraw/zinc/81/93/24/487819324.db2.gz MPXJOXMKTWTCFP-CABZTGNLSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)[C@H](C)C1 ZINC000252192313 487821408 /nfs/dbraw/zinc/82/14/08/487821408.db2.gz RUWRVFWAUKFPRJ-FVCCEPFGSA-N 1 0 238.375 2.022 10 0 BEAERO CC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000089462716 487822434 /nfs/dbraw/zinc/82/24/34/487822434.db2.gz VUCGABPLIGIIGT-VXGBXAGGSA-N 1 0 238.375 2.058 10 0 BEAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089462871 487822946 /nfs/dbraw/zinc/82/29/46/487822946.db2.gz ZUZDMAPRELCLBC-UHTWSYAYSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)N(CC1CC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089460714 487823201 /nfs/dbraw/zinc/82/32/01/487823201.db2.gz ZMHZFERZOGSJIF-OLZOCXBDSA-N 1 0 238.375 2.008 10 0 BEAERO CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234934 487825167 /nfs/dbraw/zinc/82/51/67/487825167.db2.gz UYZRJFRFKOCAIN-BXUZGUMPSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]1C[NH+](C[C@@H]2CCC[C@H](O)C2)C[C@@H](C)S1 ZINC000309314197 487835342 /nfs/dbraw/zinc/83/53/42/487835342.db2.gz YEXMIIYDBWSZOY-LPWJVIDDSA-N 1 0 243.416 2.363 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084308744 487869157 /nfs/dbraw/zinc/86/91/57/487869157.db2.gz NYFYRAOVSASXKH-RYUDHWBXSA-N 1 0 226.364 2.010 10 0 BEAERO OC1CC(C[NH2+]Cc2c(F)cccc2Cl)C1 ZINC000084446498 322960700 /nfs/dbraw/zinc/96/07/00/322960700.db2.gz WWHFALWKWWHNAO-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO CC(C)(C)CC[NH2+][C@H]1CCCn2ncnc21 ZINC000188082330 487890312 /nfs/dbraw/zinc/89/03/12/487890312.db2.gz RRTMWMBNBGCVFP-JTQLQIEISA-N 1 0 222.336 2.139 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2=O)c2ccccc21 ZINC000677043337 487956391 /nfs/dbraw/zinc/95/63/91/487956391.db2.gz QHSASWORHIDMLU-LERXQTSPSA-N 1 0 244.338 2.103 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc(C)n1C ZINC000568273315 322932885 /nfs/dbraw/zinc/93/28/85/322932885.db2.gz QSHGXNQSTBNIQQ-PWSUYJOCSA-N 1 0 207.321 2.007 10 0 BEAERO CC(C)CSCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562959589 323035303 /nfs/dbraw/zinc/03/53/03/323035303.db2.gz KUAHTPVJSGXZOO-CHWSQXEVSA-N 1 0 244.448 2.353 10 0 BEAERO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000569721618 323038757 /nfs/dbraw/zinc/03/87/57/323038757.db2.gz AJZGNCBQINCNOL-QEJZJMRPSA-N 1 0 245.366 2.419 10 0 BEAERO CSCCCC[NH2+]CC1=CCCOC1 ZINC000124737513 323105772 /nfs/dbraw/zinc/10/57/72/323105772.db2.gz QJNGMNCMKGWJBS-UHFFFAOYSA-N 1 0 215.362 2.066 10 0 BEAERO C[C@@H](Nc1ccc2n[nH]cc2c1)[C@@H]1CCC[NH2+]C1 ZINC000571178274 323137092 /nfs/dbraw/zinc/13/70/92/323137092.db2.gz RTSIENOICOWULB-GHMZBOCLSA-N 1 0 244.342 2.363 10 0 BEAERO C[C@H](Nc1ccc2n[nH]cc2c1)[C@@H]1CCC[NH2+]C1 ZINC000571178277 323137197 /nfs/dbraw/zinc/13/71/97/323137197.db2.gz RTSIENOICOWULB-WDEREUQCSA-N 1 0 244.342 2.363 10 0 BEAERO CC1(C)CC(C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000571417451 323144360 /nfs/dbraw/zinc/14/43/60/323144360.db2.gz MFYHJMLEBFKKLS-VXGBXAGGSA-N 1 0 211.349 2.316 10 0 BEAERO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000049096314 323157406 /nfs/dbraw/zinc/15/74/06/323157406.db2.gz ATOOCWBQQSKKIL-AWEZNQCLSA-N 1 0 246.354 2.073 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1COc2ccccc21 ZINC000324430085 323167212 /nfs/dbraw/zinc/16/72/12/323167212.db2.gz PWQKNLBZHYXAGD-SMDDNHRTSA-N 1 0 249.354 2.159 10 0 BEAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114473344 323194296 /nfs/dbraw/zinc/19/42/96/323194296.db2.gz VEPCQNMVVGVMGA-WDEREUQCSA-N 1 0 228.380 2.171 10 0 BEAERO [NH3+]Cc1nccc2c(F)c(Cl)ccc21 ZINC000521402197 323201261 /nfs/dbraw/zinc/20/12/61/323201261.db2.gz XHZWGOFYRFZDNG-UHFFFAOYSA-N 1 0 210.639 2.486 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000309075754 323225667 /nfs/dbraw/zinc/22/56/67/323225667.db2.gz KGTYLKVJDVWVFY-VXGBXAGGSA-N 1 0 211.349 2.437 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCC1(F)CC1 ZINC000309313888 323343027 /nfs/dbraw/zinc/34/30/27/323343027.db2.gz CLRFKKPDVWHLEE-GFCCVEGCSA-N 1 0 228.355 2.199 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2ccoc2C)C1 ZINC000321589199 323385023 /nfs/dbraw/zinc/38/50/23/323385023.db2.gz PCVLOXUOGPSQOC-CYBMUJFWSA-N 1 0 222.332 2.162 10 0 BEAERO CC[C@@H]([NH2+]Cc1ccc(C)nn1)C(C)C ZINC000396690370 323652197 /nfs/dbraw/zinc/65/21/97/323652197.db2.gz BWRCCAQQSLMPIU-GFCCVEGCSA-N 1 0 207.321 2.309 10 0 BEAERO CC1CCC([NH2+][C@H]2CCCN[C@H]2C)CC1 ZINC000396708649 323653416 /nfs/dbraw/zinc/65/34/16/323653416.db2.gz OKANJBCXBRHBHB-MVKMKZAISA-N 1 0 210.365 2.295 10 0 BEAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000396696112 323655014 /nfs/dbraw/zinc/65/50/14/323655014.db2.gz FATWZOKLUVMXLT-BPNCWPANSA-N 1 0 222.376 2.295 10 0 BEAERO CC[C@@H](COC)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122585276 324050726 /nfs/dbraw/zinc/05/07/26/324050726.db2.gz INEDFMQRJOZKJT-FRRDWIJNSA-N 1 0 229.364 2.062 10 0 BEAERO COc1c(C[NH2+][C@H]2CC[C@H](C)C2)c(C)nn1C ZINC000123009093 324073455 /nfs/dbraw/zinc/07/34/55/324073455.db2.gz BCJQELRJHVHDHZ-ONGXEEELSA-N 1 0 237.347 2.015 10 0 BEAERO COCc1cccc(N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400783538 324168960 /nfs/dbraw/zinc/16/89/60/324168960.db2.gz QBICPSNVEBHMJK-YPMHNXCESA-N 1 0 234.343 2.243 10 0 BEAERO CO[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038096434 324588548 /nfs/dbraw/zinc/58/85/48/324588548.db2.gz NVWQTBZWXOORSL-AVGNSLFASA-N 1 0 227.348 2.103 10 0 BEAERO CSCCCC[NH2+]Cc1nc(C)ccc1O ZINC000124930327 324628665 /nfs/dbraw/zinc/62/86/65/324628665.db2.gz TWIIASRDMRPUJJ-UHFFFAOYSA-N 1 0 240.372 2.328 10 0 BEAERO CCC[C@H](CC)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000125984390 324671821 /nfs/dbraw/zinc/67/18/21/324671821.db2.gz DQNFXCKEEIOOQG-UHIISALHSA-N 1 0 219.394 2.312 10 0 BEAERO CCC[C@H](CCO)C[NH2+][C@@H]1CCCSC1 ZINC000128307163 324823146 /nfs/dbraw/zinc/82/31/46/324823146.db2.gz VFWOGYMKJGFKQV-VXGBXAGGSA-N 1 0 231.405 2.270 10 0 BEAERO CCSCC[NH2+]Cc1cccc(C)n1 ZINC000128939391 324898765 /nfs/dbraw/zinc/89/87/65/324898765.db2.gz JQRLKPIBSBHFHQ-UHFFFAOYSA-N 1 0 210.346 2.233 10 0 BEAERO Cc1ccc(/C=C/CC(=O)NCC[NH+](C)C)cc1 ZINC000131198107 325124655 /nfs/dbraw/zinc/12/46/55/325124655.db2.gz PBWJEYCBFASFSM-SNAWJCMRSA-N 1 0 246.354 2.076 10 0 BEAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000131605552 325169024 /nfs/dbraw/zinc/16/90/24/325169024.db2.gz GZMURMMSFBKALL-WOPDTQHZSA-N 1 0 229.389 2.429 10 0 BEAERO COC[C@@H](C)C[N@H+](C)Cc1ccc(C)o1 ZINC000131906429 325190211 /nfs/dbraw/zinc/19/02/11/325190211.db2.gz CTURGXJXJZSNGK-JTQLQIEISA-N 1 0 211.305 2.302 10 0 BEAERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CC1 ZINC000132141657 325201035 /nfs/dbraw/zinc/20/10/35/325201035.db2.gz YSAAMISNZSUTSY-QWHCGFSZSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)nc1 ZINC000134349578 325354776 /nfs/dbraw/zinc/35/47/76/325354776.db2.gz XDCOLQGWTCPNMU-GXTWGEPZSA-N 1 0 234.343 2.031 10 0 BEAERO CCC[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+](C)C ZINC000246655370 325574650 /nfs/dbraw/zinc/57/46/50/325574650.db2.gz UBAIIVGKYKHYTJ-FRRDWIJNSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1CC(O)C1 ZINC000091525753 325687481 /nfs/dbraw/zinc/68/74/81/325687481.db2.gz XBKAEAHZCKGBGX-ZOODHJKOSA-N 1 0 249.354 2.074 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CO)C1 ZINC000252716358 325692486 /nfs/dbraw/zinc/69/24/86/325692486.db2.gz YGEIZISVEKTMMO-VOAKCMCISA-N 1 0 211.349 2.316 10 0 BEAERO CCC[C@@H](C(=O)NCC1(CCC)CC1)[NH+](C)C ZINC000154605810 326152877 /nfs/dbraw/zinc/15/28/77/326152877.db2.gz DFEPSKYRWDLDCQ-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1ccc(CC[NH2+]C[C@H](O)C(C)(C)C)o1 ZINC000568976023 326384320 /nfs/dbraw/zinc/38/43/20/326384320.db2.gz PNDMTLOXWRPYDS-LBPRGKRZSA-N 1 0 225.332 2.127 10 0 BEAERO Cc1nc(C[NH2+]C[C@H](O)C(C)(C)C)sc1C ZINC000324392874 326415712 /nfs/dbraw/zinc/41/57/12/326415712.db2.gz ZGRDPSDUWWIXKI-JTQLQIEISA-N 1 0 242.388 2.257 10 0 BEAERO Cc1c(-c2ccc(C[C@H](C)[NH3+])cc2)cnn1C ZINC000235505849 487975384 /nfs/dbraw/zinc/97/53/84/487975384.db2.gz WXTKOXYGBVVBKI-JTQLQIEISA-N 1 0 229.327 2.285 10 0 BEAERO C[C@H](Cc1ccsc1)N[C@H]1CCC[NH2+][C@@H]1C ZINC000396689666 487995606 /nfs/dbraw/zinc/99/56/06/487995606.db2.gz ZYTZRHSZOZFCGJ-WZRBSPASSA-N 1 0 238.400 2.409 10 0 BEAERO COC[C@@H](C)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000045656775 488014018 /nfs/dbraw/zinc/01/40/18/488014018.db2.gz LPBMARROGFGIBO-WCQYABFASA-N 1 0 235.327 2.382 10 0 BEAERO c1ccc2c(c1)ncnc2NCCC[NH2+]C1CC1 ZINC000037715821 488039025 /nfs/dbraw/zinc/03/90/25/488039025.db2.gz SZHWHWSWEUNQNN-UHFFFAOYSA-N 1 0 242.326 2.184 10 0 BEAERO CC(C)(C)c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305483 488042278 /nfs/dbraw/zinc/04/22/78/488042278.db2.gz UEIHHONNGWBZNG-BDAKNGLRSA-N 1 0 223.320 2.210 10 0 BEAERO Cn1cc(-c2ccc3c(c2)CC[C@H]3[NH3+])cn1 ZINC000236128097 488042951 /nfs/dbraw/zinc/04/29/51/488042951.db2.gz STHMXQQPLSRHBZ-CYBMUJFWSA-N 1 0 213.284 2.033 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C)CC1 ZINC000129063403 488071911 /nfs/dbraw/zinc/07/19/11/488071911.db2.gz NIOJDSMWBOWHTI-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)CC1 ZINC000129062973 488071800 /nfs/dbraw/zinc/07/18/00/488071800.db2.gz NIOJDSMWBOWHTI-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1c2ccccc2C[C@@H]1C ZINC000136300347 488092877 /nfs/dbraw/zinc/09/28/77/488092877.db2.gz LPLVJXFOQJOLSP-AAEUAGOBSA-N 1 0 246.354 2.338 10 0 BEAERO Cc1ccccc1CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136313136 488094825 /nfs/dbraw/zinc/09/48/25/488094825.db2.gz LDYFVAOELAAHGA-AWEZNQCLSA-N 1 0 248.370 2.327 10 0 BEAERO [NH3+]Cc1cccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000667727188 488102556 /nfs/dbraw/zinc/10/25/56/488102556.db2.gz YSPDCRIXOLWVOK-YPMHNXCESA-N 1 0 245.326 2.162 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H]1C ZINC000389627617 488103272 /nfs/dbraw/zinc/10/32/72/488103272.db2.gz LBFATMKEMHSILQ-XQHKEYJVSA-N 1 0 211.349 2.268 10 0 BEAERO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CCCO)o1 ZINC000685562428 487545548 /nfs/dbraw/zinc/54/55/48/487545548.db2.gz FFDSJYYBYXBGTI-LBPRGKRZSA-N 1 0 238.331 2.028 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094368927 487531035 /nfs/dbraw/zinc/53/10/35/487531035.db2.gz YKDKVOHHUACTJN-OLZOCXBDSA-N 1 0 239.359 2.247 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)CCS1 ZINC000379465364 488138089 /nfs/dbraw/zinc/13/80/89/488138089.db2.gz HYFULEFTLFEMAA-AGIUHOORSA-N 1 0 243.416 2.365 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C)c1O ZINC000093654876 487481345 /nfs/dbraw/zinc/48/13/45/487481345.db2.gz UAKGNWBXRVHEEU-LDYMZIIASA-N 1 0 236.315 2.013 10 0 BEAERO CCCOc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000380607918 487481028 /nfs/dbraw/zinc/48/10/28/487481028.db2.gz JFMXPWBBAOLNJY-DOMZBBRYSA-N 1 0 248.370 2.397 10 0 BEAERO COc1ccc(C[NH2+]CC2CCC(O)CC2)cc1 ZINC000220280660 487493805 /nfs/dbraw/zinc/49/38/05/487493805.db2.gz MQVKPEBFDFLDRK-UHFFFAOYSA-N 1 0 249.354 2.336 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304619501 487512553 /nfs/dbraw/zinc/51/25/53/487512553.db2.gz SXJUGGUCAQYRLN-ODXJTPSBSA-N 1 0 223.360 2.316 10 0 BEAERO C[N@@H+](Cc1ccoc1)C[C@@H]1CCC[C@H](O)C1 ZINC000381690459 487520298 /nfs/dbraw/zinc/52/02/98/487520298.db2.gz ZQUNXPUTZLELFW-YPMHNXCESA-N 1 0 223.316 2.263 10 0 BEAERO C[N@@H+](Cc1ccoc1)C[C@H]1CCC[C@H](O)C1 ZINC000381690447 487520500 /nfs/dbraw/zinc/52/05/00/487520500.db2.gz ZQUNXPUTZLELFW-AAEUAGOBSA-N 1 0 223.316 2.263 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000313469915 487525425 /nfs/dbraw/zinc/52/54/25/487525425.db2.gz MOWFBOXPCNSRMA-RYUDHWBXSA-N 1 0 240.391 2.304 10 0 BEAERO CCC[C@@H](C)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000053486348 487611140 /nfs/dbraw/zinc/61/11/40/487611140.db2.gz YLHSIIRRISDYRI-SYQHCUMBSA-N 1 0 242.407 2.262 10 0 BEAERO Cc1ccc([C@@H]2[NH2+]CCc3cc(O)ccc32)nc1 ZINC000034737531 487671265 /nfs/dbraw/zinc/67/12/65/487671265.db2.gz JQYAVOCXMLHHQA-OAHLLOKOSA-N 1 0 240.306 2.331 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCNC1=O ZINC000395834101 487703124 /nfs/dbraw/zinc/70/31/24/487703124.db2.gz XDJPZYIEQSOQEW-STQMWFEESA-N 1 0 246.354 2.172 10 0 BEAERO Cc1cnc(NCc2ccc3c(c2)C[NH2+]C3)nc1 ZINC000097829996 487704357 /nfs/dbraw/zinc/70/43/57/487704357.db2.gz KWGIAALZGDUHQH-UHFFFAOYSA-N 1 0 240.310 2.000 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncnc2ccccc21 ZINC000229599072 487930648 /nfs/dbraw/zinc/93/06/48/487930648.db2.gz YOUWDOFVWLJBKW-CMPLNLGQSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)c2ccccc21 ZINC000677043335 487956589 /nfs/dbraw/zinc/95/65/89/487956589.db2.gz QHSASWORHIDMLU-DDTOSNHZSA-N 1 0 244.338 2.103 10 0 BEAERO C[C@@H]1CSCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000379465430 488138291 /nfs/dbraw/zinc/13/82/91/488138291.db2.gz IBZZHZYMYQGSRB-AVGNSLFASA-N 1 0 243.416 2.222 10 0 BEAERO C[C@@H]1CSCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000379465433 488138509 /nfs/dbraw/zinc/13/85/09/488138509.db2.gz IBZZHZYMYQGSRB-YNEHKIRRSA-N 1 0 243.416 2.222 10 0 BEAERO COc1ccc(C(C)C)cc1CN1CC[C@@H]([NH3+])C1 ZINC000057956584 488157427 /nfs/dbraw/zinc/15/74/27/488157427.db2.gz IXBIXIXJRKXHSD-CQSZACIVSA-N 1 0 248.370 2.352 10 0 BEAERO Cc1cc(CNc2ccc3c([nH+]2)CCC3)on1 ZINC000134293339 488167003 /nfs/dbraw/zinc/16/70/03/488167003.db2.gz VQPUYDDKWHUQEX-UHFFFAOYSA-N 1 0 229.283 2.479 10 0 BEAERO CCc1ccccc1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000136472890 488180827 /nfs/dbraw/zinc/18/08/27/488180827.db2.gz PLHAWMFKTMNZPC-AWEZNQCLSA-N 1 0 248.370 2.239 10 0 BEAERO C[C@H](C[NH3+])N(C)C[C@@H]1CCCCC1(F)F ZINC000322372959 488183230 /nfs/dbraw/zinc/18/32/30/488183230.db2.gz BADGURUPSTXRLK-ZJUUUORDSA-N 1 0 220.307 2.091 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000322396271 488184114 /nfs/dbraw/zinc/18/41/14/488184114.db2.gz QHCOGVCCVGYUEI-UPJWGTAASA-N 1 0 211.349 2.458 10 0 BEAERO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000322666204 488194300 /nfs/dbraw/zinc/19/43/00/488194300.db2.gz CMSWPHQVDAVGOZ-CLLJXQQHSA-N 1 0 244.338 2.438 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)CC2([NH3+])CC2)c(C)c1 ZINC000398171219 488213531 /nfs/dbraw/zinc/21/35/31/488213531.db2.gz OSFBMGFFRANHJJ-LBPRGKRZSA-N 1 0 246.354 2.362 10 0 BEAERO CC(C)[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000323845657 488224370 /nfs/dbraw/zinc/22/43/70/488224370.db2.gz AGQCCRVMOLGCSF-JHJVBQTASA-N 1 0 211.349 2.314 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccncc1 ZINC000217659679 490219584 /nfs/dbraw/zinc/21/95/84/490219584.db2.gz NBHFYBPRBRXGJJ-WCFLWFBJSA-N 1 0 220.316 2.036 10 0 BEAERO CC1CCC(C[N@@H+]2CCNCC2(C)C)CC1 ZINC000084339675 490383908 /nfs/dbraw/zinc/38/39/08/490383908.db2.gz NWPVDOGOWYKZTB-UHFFFAOYSA-N 1 0 224.392 2.497 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000124870229 490406735 /nfs/dbraw/zinc/40/67/35/490406735.db2.gz XZKKSKWOBXEQHN-OLZOCXBDSA-N 1 0 238.375 2.167 10 0 BEAERO CCOC1CC([NH2+][C@@H](C)c2cscn2)C1 ZINC000219280632 490564983 /nfs/dbraw/zinc/56/49/83/490564983.db2.gz FIOSWQAHWXKCQU-IDKOKCKLSA-N 1 0 226.345 2.361 10 0 BEAERO CC[C@H](C)N(CC)C(=O)C[C@H]([NH3+])C(C)C ZINC000128900226 490594149 /nfs/dbraw/zinc/59/41/49/490594149.db2.gz JJOAMANPVWLLAO-QWRGUYRKSA-N 1 0 214.353 2.007 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000222648378 490652929 /nfs/dbraw/zinc/65/29/29/490652929.db2.gz IUPLDZJKHJWMJO-KGYLQXTDSA-N 1 0 211.349 2.458 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)cc(C)c1O ZINC000089162250 491109490 /nfs/dbraw/zinc/10/94/90/491109490.db2.gz ZUCCPNXJJVRVGV-ZIAGYGMSSA-N 1 0 249.354 2.260 10 0 BEAERO [NH3+]Cc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000082642753 491126267 /nfs/dbraw/zinc/12/62/67/491126267.db2.gz UZUZEBZGUWDPNW-UHFFFAOYSA-N 1 0 215.178 2.040 10 0 BEAERO CCCC[C@@H](COC)[NH2+]CC[C@H]1CCCO1 ZINC000131976770 491134418 /nfs/dbraw/zinc/13/44/18/491134418.db2.gz HXVPLFMJDVBPTB-QWHCGFSZSA-N 1 0 229.364 2.350 10 0 BEAERO C[C@@H](CC1CCC1)[NH2+]Cc1ccnn1C ZINC000132360369 491135467 /nfs/dbraw/zinc/13/54/67/491135467.db2.gz UKOMFIXYVMIUDK-JTQLQIEISA-N 1 0 207.321 2.088 10 0 BEAERO C[C@H](CC1CCC1)[NH2+]CC1(CCO)CC1 ZINC000133136838 491147125 /nfs/dbraw/zinc/14/71/25/491147125.db2.gz GTJCGHCZJWGLFJ-LLVKDONJSA-N 1 0 211.349 2.317 10 0 BEAERO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCC[NH3+] ZINC000133721599 491159929 /nfs/dbraw/zinc/15/99/29/491159929.db2.gz BAKXQFROMHRWBK-HNNXBMFYSA-N 1 0 248.370 2.353 10 0 BEAERO CCCC[N@@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757126551 582501410 /nfs/dbraw/zinc/50/14/10/582501410.db2.gz GCLUMCHJSSWNID-STQMWFEESA-N 1 0 210.365 2.251 10 0 BEAERO C[NH2+]Cc1sc(C(=O)[C@@H]2C[C@@H]2C)nc1C ZINC000757126924 582502022 /nfs/dbraw/zinc/50/20/22/582502022.db2.gz WSWIAWRJSUDEFT-POYBYMJQSA-N 1 0 224.329 2.010 10 0 BEAERO C[NH2+]Cc1sc([C@H](O)C2(C)CC2)nc1C ZINC000757130741 582504802 /nfs/dbraw/zinc/50/48/02/582504802.db2.gz QPBDLEJHADEACT-VIFPVBQESA-N 1 0 226.345 2.004 10 0 BEAERO C[NH2+]Cc1sc([C@H](O)C(C)(C)C)nc1C ZINC000757135063 582513603 /nfs/dbraw/zinc/51/36/03/582513603.db2.gz ZZIFWVNTSHUJBC-VIFPVBQESA-N 1 0 228.361 2.250 10 0 BEAERO CC1(C)C[NH2+][C@@]2(CCCOCC2)OC1(C)C ZINC000757139762 582520441 /nfs/dbraw/zinc/52/04/41/582520441.db2.gz HHPVAABUKWNZCS-ZDUSSCGKSA-N 1 0 227.348 2.308 10 0 BEAERO CC(C)[C@@H]1O[C@]2(CCSC2)[NH2+]CC12CC2 ZINC000757145142 582527971 /nfs/dbraw/zinc/52/79/71/582527971.db2.gz OGJNRJRFXRVFDV-JQWIXIFHSA-N 1 0 227.373 2.244 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](C(F)(F)F)C[C@H]2C ZINC000235276473 582537175 /nfs/dbraw/zinc/53/71/75/582537175.db2.gz WJQPHLOVNIYWCX-RQJHMYQMSA-N 1 0 219.210 2.499 10 0 BEAERO C[C@H]1OC2(CCSCC2)[NH2+]CC1(C)C ZINC000757152741 582537288 /nfs/dbraw/zinc/53/72/88/582537288.db2.gz UVVZTCAVXGMFNF-SECBINFHSA-N 1 0 215.362 2.244 10 0 BEAERO CC(C)[C@H]1O[C@@]2(CCCOC2)[NH2+]CC1(C)C ZINC000757152612 582537616 /nfs/dbraw/zinc/53/76/16/582537616.db2.gz SYCLMLJFRRCWFL-DGCLKSJQSA-N 1 0 227.348 2.164 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153687 582538324 /nfs/dbraw/zinc/53/83/24/582538324.db2.gz QCJDUYHUNREGAN-NEPJUHHUSA-N 1 0 227.735 2.289 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757153454 582538576 /nfs/dbraw/zinc/53/85/76/582538576.db2.gz VXUBSTVFXHFCLB-JTQLQIEISA-N 1 0 231.286 2.190 10 0 BEAERO CCO[C@@H](C[NH3+])CSCc1occc1C ZINC000757166841 582548330 /nfs/dbraw/zinc/54/83/30/582548330.db2.gz SKGZQXVTCVSZIZ-JTQLQIEISA-N 1 0 229.345 2.185 10 0 BEAERO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](O)C1)c1ccccc1 ZINC000401577505 533867147 /nfs/dbraw/zinc/86/71/47/533867147.db2.gz IRBUBPSEKCQRFE-IPYPFGDCSA-N 1 0 233.355 2.493 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(C(C)C)no2)C1 ZINC000180422944 535540398 /nfs/dbraw/zinc/54/03/98/535540398.db2.gz VGFBPSGXVIULQH-SNVBAGLBSA-N 1 0 238.335 2.089 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000250320532 535540489 /nfs/dbraw/zinc/54/04/89/535540489.db2.gz NBMFTUNBKDOAIX-CHWSQXEVSA-N 1 0 212.381 2.495 10 0 BEAERO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336195613 536137734 /nfs/dbraw/zinc/13/77/34/536137734.db2.gz WKTVMMLPXDGVFV-NEPJUHHUSA-N 1 0 246.345 2.448 10 0 BEAERO CCN(C(=O)C(C)(C)[NH2+]C)c1ccc(C)cc1 ZINC000061319133 517627306 /nfs/dbraw/zinc/62/73/06/517627306.db2.gz KROACWYARSVTQP-UHFFFAOYSA-N 1 0 234.343 2.346 10 0 BEAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cncnc1 ZINC000189233956 518984562 /nfs/dbraw/zinc/98/45/62/518984562.db2.gz JWBNBURBDLLMAY-OLZOCXBDSA-N 1 0 249.358 2.017 10 0 BEAERO CCCc1cc(NN)[nH+]c(NCCC(C)C)n1 ZINC000057331699 521380885 /nfs/dbraw/zinc/38/08/85/521380885.db2.gz AAJSWSPDJOLIMH-UHFFFAOYSA-N 1 0 237.351 2.173 10 0 BEAERO CCOC(OCC)[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000057354360 521632217 /nfs/dbraw/zinc/63/22/17/521632217.db2.gz CHYDJGVXJYNWNO-AWEZNQCLSA-N 1 0 249.354 2.442 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccccc2OC)[C@H](C)C1 ZINC000049694241 536378267 /nfs/dbraw/zinc/37/82/67/536378267.db2.gz DEEBICOFUZVNQR-VXGBXAGGSA-N 1 0 234.343 2.272 10 0 BEAERO Cc1ccccc1OCCCCN1CC[NH2+]CC1 ZINC000023363313 525283742 /nfs/dbraw/zinc/28/37/42/525283742.db2.gz KCJSMOBKDNWBDC-UHFFFAOYSA-N 1 0 248.370 2.059 10 0 BEAERO Cc1ccc(-c2noc(CCCCC[NH3+])n2)n1C ZINC000229002818 525876333 /nfs/dbraw/zinc/87/63/33/525876333.db2.gz APXJONXLRNAFNR-UHFFFAOYSA-N 1 0 248.330 2.055 10 0 BEAERO C[NH2+]Cc1cccnc1N1CCC[C@H](C)C1 ZINC000051399867 536470858 /nfs/dbraw/zinc/47/08/58/536470858.db2.gz XZEMGCSVYLAIRM-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO C[NH2+]Cc1cc(N2CCC[C@H](C)C2)ccn1 ZINC000051399935 536468715 /nfs/dbraw/zinc/46/87/15/536468715.db2.gz UEHJQANRDNAUFK-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401915221 528459926 /nfs/dbraw/zinc/45/99/26/528459926.db2.gz SCMNTIXENZUVQV-AVGNSLFASA-N 1 0 213.365 2.371 10 0 BEAERO CCOc1cccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400710985 528674810 /nfs/dbraw/zinc/67/48/10/528674810.db2.gz DODPYUQOBBZFJO-VXGBXAGGSA-N 1 0 234.343 2.495 10 0 BEAERO CCOc1ccccc1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400708110 528746967 /nfs/dbraw/zinc/74/69/67/528746967.db2.gz DCIBLZOIJADNFR-NWDGAFQWSA-N 1 0 234.343 2.495 10 0 BEAERO CC(C)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000174002699 529103806 /nfs/dbraw/zinc/10/38/06/529103806.db2.gz OCKMMPPGAJHPPL-QWRGUYRKSA-N 1 0 242.363 2.240 10 0 BEAERO CCC[NH+]1CCN(c2ccccc2C(C)=O)CC1 ZINC000019871144 534934295 /nfs/dbraw/zinc/93/42/95/534934295.db2.gz HIVWVWUBPQCUCA-UHFFFAOYSA-N 1 0 246.354 2.421 10 0 BEAERO CC(C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)=C1CCCC1 ZINC000185142307 534962647 /nfs/dbraw/zinc/96/26/47/534962647.db2.gz SAIOZOCATHANCI-BFHYXJOUSA-N 1 0 248.370 2.073 10 0 BEAERO CCCC[C@H](CC)CNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000251286747 535009777 /nfs/dbraw/zinc/00/97/77/535009777.db2.gz FQCMWVXOUKEKSH-AGIUHOORSA-N 1 0 240.391 2.175 10 0 BEAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)C1CC1)CC2 ZINC000177274719 535025126 /nfs/dbraw/zinc/02/51/26/535025126.db2.gz OQITYBUNFOYITP-JQWIXIFHSA-N 1 0 248.374 2.104 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])CN1c2ccccc2CCC1=O ZINC000023071423 535049849 /nfs/dbraw/zinc/04/98/49/535049849.db2.gz JFGRWDWCHYEISV-ZDUSSCGKSA-N 1 0 246.354 2.339 10 0 BEAERO CCC(CC)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090206 535081531 /nfs/dbraw/zinc/08/15/31/535081531.db2.gz CSFOITYHTAQKRK-CYBMUJFWSA-N 1 0 248.374 2.224 10 0 BEAERO CC(C)(C)c1ccnc(N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000261553426 535134579 /nfs/dbraw/zinc/13/45/79/535134579.db2.gz AJBKZGPOBBYRPK-QWRGUYRKSA-N 1 0 248.374 2.313 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253097205 535169379 /nfs/dbraw/zinc/16/93/79/535169379.db2.gz RJVSQZSTHPIMCO-YNEHKIRRSA-N 1 0 211.349 2.410 10 0 BEAERO CC1CCC(O)(C[NH2+]C(C)(C)C(C)(C)O)CC1 ZINC000408160252 535266659 /nfs/dbraw/zinc/26/66/59/535266659.db2.gz URYDNFAAYUAWNT-UHFFFAOYSA-N 1 0 243.391 2.067 10 0 BEAERO CCCc1csc(CN2CCC[C@H]([NH3+])C2)n1 ZINC000262007816 535446331 /nfs/dbraw/zinc/44/63/31/535446331.db2.gz UTSPXIDSHVZPGP-JTQLQIEISA-N 1 0 239.388 2.019 10 0 BEAERO CC[C@@H](C(N)=O)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000171074397 535449808 /nfs/dbraw/zinc/44/98/08/535449808.db2.gz HJRCANJYHRRODM-AWEZNQCLSA-N 1 0 244.338 2.040 10 0 BEAERO CC[C@@H](C)C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000037090061 535525004 /nfs/dbraw/zinc/52/50/04/535525004.db2.gz BZHKFOXCUQGGBK-OLZOCXBDSA-N 1 0 248.374 2.081 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC000177010644 535545460 /nfs/dbraw/zinc/54/54/60/535545460.db2.gz JGISCTTWFTUARF-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000227199504 535573882 /nfs/dbraw/zinc/57/38/82/535573882.db2.gz CGMWDRFFZXOCHO-JHJVBQTASA-N 1 0 240.391 2.460 10 0 BEAERO CCSCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227565821 535684449 /nfs/dbraw/zinc/68/44/49/535684449.db2.gz AVRJUHZSLKBSMX-QWHCGFSZSA-N 1 0 242.432 2.298 10 0 BEAERO CC[C@@H]1COCCN1c1ccc(CC[NH3+])c(C)c1 ZINC000104263550 535837319 /nfs/dbraw/zinc/83/73/19/535837319.db2.gz VJHNMHIERQDQSO-CQSZACIVSA-N 1 0 248.370 2.111 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000336131881 535845098 /nfs/dbraw/zinc/84/50/98/535845098.db2.gz IQJNWQDSIVKUBA-RYUDHWBXSA-N 1 0 211.349 2.412 10 0 BEAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261759112 535891931 /nfs/dbraw/zinc/89/19/31/535891931.db2.gz NIJQAFUYVQUTOM-UMSGYPCISA-N 1 0 238.375 2.008 10 0 BEAERO CCn1cccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000234190346 536101840 /nfs/dbraw/zinc/10/18/40/536101840.db2.gz MGWRONVHNNFFDN-GFCCVEGCSA-N 1 0 222.332 2.024 10 0 BEAERO CCc1ccc(N2CC[NH2+]C[C@H]2CC)cc1 ZINC000016945084 536184917 /nfs/dbraw/zinc/18/49/17/536184917.db2.gz QBYLAJAJLLUELV-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO Nc1[nH+]ccn1Cc1cccc(F)c1Cl ZINC000702518106 582927270 /nfs/dbraw/zinc/92/72/70/582927270.db2.gz QEFUEEURKFNIAM-UHFFFAOYSA-N 1 0 225.654 2.306 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccccc2F)[C@@H](C)C1 ZINC000049708737 536378185 /nfs/dbraw/zinc/37/81/85/536378185.db2.gz RNGVQQFLAAGULC-WDEREUQCSA-N 1 0 222.307 2.402 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cccc(F)c2)[C@H](C)C1 ZINC000049693963 536378375 /nfs/dbraw/zinc/37/83/75/536378375.db2.gz VSVREHSAVKEKFE-ZYHUDNBSSA-N 1 0 222.307 2.402 10 0 BEAERO C[NH2+][C@H](C)c1ccccc1N1CCO[C@@H](C)C1 ZINC000034838140 536406445 /nfs/dbraw/zinc/40/64/45/536406445.db2.gz CIJVVHCYVIJVSY-NWDGAFQWSA-N 1 0 234.343 2.192 10 0 BEAERO COc1ccc2ccccc2c1N1CC[NH2+]CC1 ZINC000028762505 537043599 /nfs/dbraw/zinc/04/35/99/537043599.db2.gz BHLILRVSUCXHCR-UHFFFAOYSA-N 1 0 242.322 2.258 10 0 BEAERO CCC(C)(C)NC(=O)NC1(C)CCC([NH3+])CC1 ZINC000725263377 566308535 /nfs/dbraw/zinc/30/85/35/566308535.db2.gz UOXMVHBFROAENR-UHFFFAOYSA-N 1 0 241.379 2.134 10 0 BEAERO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cs1 ZINC000051997923 566360978 /nfs/dbraw/zinc/36/09/78/566360978.db2.gz SNRHEXLRHAPONY-UISBYWKRSA-N 1 0 240.372 2.406 10 0 BEAERO C[C@@H]1C=C([C@](O)(C[NH3+])C(F)(F)F)C[C@@H](C)C1 ZINC000675052268 566374956 /nfs/dbraw/zinc/37/49/56/566374956.db2.gz CPDXNHCMYRADAN-OYNCUSHFSA-N 1 0 237.265 2.231 10 0 BEAERO [NH3+]C[C@@](O)(C1CCC(F)(F)CC1)C(F)(F)F ZINC000675052912 566412321 /nfs/dbraw/zinc/41/23/21/566412321.db2.gz ITIWUOXCLSTRRZ-MRVPVSSYSA-N 1 0 247.207 2.064 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)C[C@H]1CCCOC1 ZINC000111171219 588726420 /nfs/dbraw/zinc/72/64/20/588726420.db2.gz BOZJBQOWZUXHCD-GFCCVEGCSA-N 1 0 241.375 2.350 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)C[C@@H]1CCCOC1 ZINC000111171216 588726555 /nfs/dbraw/zinc/72/65/55/588726555.db2.gz BOZJBQOWZUXHCD-LBPRGKRZSA-N 1 0 241.375 2.350 10 0 BEAERO C[C@@H](N1CCC[C@]12CCC[NH2+]C2)C(F)(F)F ZINC000757134591 582511149 /nfs/dbraw/zinc/51/11/49/582511149.db2.gz WVUMGHUBNKUGOC-ZJUUUORDSA-N 1 0 236.281 2.155 10 0 BEAERO Cc1nc([C@H](O)C(C)(C)C)sc1CC[NH3+] ZINC000757134506 582511355 /nfs/dbraw/zinc/51/13/55/582511355.db2.gz YLKFFFJEMOKYTN-VIFPVBQESA-N 1 0 228.361 2.032 10 0 BEAERO CC1(C)C[C@@]2(CO1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757138596 582518222 /nfs/dbraw/zinc/51/82/22/582518222.db2.gz CHWMQVAQZXGNHN-CYBMUJFWSA-N 1 0 227.348 2.306 10 0 BEAERO CC[S@](=O)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000217328964 582518978 /nfs/dbraw/zinc/51/89/78/582518978.db2.gz VEEJGVNYVODIPQ-JMSVASOKSA-N 1 0 231.405 2.313 10 0 BEAERO CC1(C)C[NH2+]C2(CCCC2)OC12CCOCC2 ZINC000757139314 582519292 /nfs/dbraw/zinc/51/92/92/582519292.db2.gz GRNHELMYGHZENF-UHFFFAOYSA-N 1 0 239.359 2.452 10 0 BEAERO FC(F)(F)[C@H]1CCC[C@]2(C1)[NH2+]CCCO2 ZINC000757139951 582520417 /nfs/dbraw/zinc/52/04/17/582520417.db2.gz KERPATRLVUSXGW-IUCAKERBSA-N 1 0 223.238 2.445 10 0 BEAERO [NH3+]C[C@@H]1CCN1Cc1cc(F)ccc1Cl ZINC000757141418 582521788 /nfs/dbraw/zinc/52/17/88/582521788.db2.gz DCGGNCTUQLTDFM-JTQLQIEISA-N 1 0 228.698 2.012 10 0 BEAERO Cc1cc(CN2CC[C@@H]2C[NH3+])ccc1Cl ZINC000757142974 582523196 /nfs/dbraw/zinc/52/31/96/582523196.db2.gz GUCQMTWOXLFUMZ-LLVKDONJSA-N 1 0 224.735 2.181 10 0 BEAERO CCC[C@H]1CCO[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757143394 582523514 /nfs/dbraw/zinc/52/35/14/582523514.db2.gz MRDFRUUWHKANDM-JQWIXIFHSA-N 1 0 213.321 2.060 10 0 BEAERO CC(C)[C@@H]1O[C@]2(CCSC2)[NH2+]CC1(C)C ZINC000757143170 582523606 /nfs/dbraw/zinc/52/36/06/582523606.db2.gz MEMDGRCPBUHCCL-JQWIXIFHSA-N 1 0 229.389 2.490 10 0 BEAERO CCC[C@H]1CC[NH2+][C@]2(CCCSC2)O1 ZINC000757147676 582531350 /nfs/dbraw/zinc/53/13/50/582531350.db2.gz MNMKKRLHHCODJY-WDEREUQCSA-N 1 0 215.362 2.388 10 0 BEAERO Cc1cc(C[C@H]2COC[C@H]2[NH3+])ccc1Cl ZINC000757149877 582533596 /nfs/dbraw/zinc/53/35/96/582533596.db2.gz DKUGWEPPRAPGED-CMPLNLGQSA-N 1 0 225.719 2.165 10 0 BEAERO COC[C@H]1CCO[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757149970 582534317 /nfs/dbraw/zinc/53/43/17/582534317.db2.gz PRTBIJCYPUJGAT-DGCLKSJQSA-N 1 0 227.348 2.308 10 0 BEAERO CC1(C)C[NH2+]C2(CCCC2)O[C@@]12CCCOC2 ZINC000757151293 582535307 /nfs/dbraw/zinc/53/53/07/582535307.db2.gz ZIEWKOGRIAXCOE-CYBMUJFWSA-N 1 0 239.359 2.452 10 0 BEAERO CC(C)[C@H]1CCC[C@@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757152566 582537233 /nfs/dbraw/zinc/53/72/33/582537233.db2.gz UTYAVWVNLTYSSW-GXTWGEPZSA-N 1 0 239.359 2.308 10 0 BEAERO C[C@@H]1CC(C)(C)OC2(CCN(C3CC3)CC2)[NH2+]1 ZINC000757153818 582539129 /nfs/dbraw/zinc/53/91/29/582539129.db2.gz XUFKDKRSQAQGMW-LLVKDONJSA-N 1 0 238.375 2.118 10 0 BEAERO Cc1cc(CC(=O)CC[NH3+])ccc1Cl ZINC000757159556 582541112 /nfs/dbraw/zinc/54/11/12/582541112.db2.gz PGTXIMLRHLUJJG-UHFFFAOYSA-N 1 0 211.692 2.109 10 0 BEAERO Cc1cc(C[S@@](=O)CCC[NH3+])ccc1Cl ZINC000757159487 582541974 /nfs/dbraw/zinc/54/19/74/582541974.db2.gz OUYMKQJQPFYWLC-HNNXBMFYSA-N 1 0 245.775 2.246 10 0 BEAERO C[NH2+][C@@H](CO)CCSCc1ccc(Cl)o1 ZINC000757166467 582547416 /nfs/dbraw/zinc/54/74/16/582547416.db2.gz VYDDXYVRVGLDOW-MRVPVSSYSA-N 1 0 249.763 2.137 10 0 BEAERO CCc1ccc(CSCC2C[NH2+]C2)o1 ZINC000757167321 582548428 /nfs/dbraw/zinc/54/84/28/582548428.db2.gz VIGLKFSVXHUNRT-UHFFFAOYSA-N 1 0 211.330 2.295 10 0 BEAERO C[C@@](O)(C[NH3+])CCSCc1ccc(Cl)o1 ZINC000757170837 582550754 /nfs/dbraw/zinc/55/07/54/582550754.db2.gz RBCQSZBRIRZQKH-JTQLQIEISA-N 1 0 249.763 2.266 10 0 BEAERO CCc1ccc(CS[C@@H]2CC[NH2+]C2)o1 ZINC000757172481 582551746 /nfs/dbraw/zinc/55/17/46/582551746.db2.gz XTCHNEVDPUYYPD-LLVKDONJSA-N 1 0 211.330 2.437 10 0 BEAERO COC[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757172451 582552021 /nfs/dbraw/zinc/55/20/21/582552021.db2.gz XQJKRCAOHPIOLM-SSDOTTSWSA-N 1 0 235.736 2.140 10 0 BEAERO CCOC(=O)C1(c2cc(C)cc(C)c2)CC([NH3+])C1 ZINC000757176170 582552468 /nfs/dbraw/zinc/55/24/68/582552468.db2.gz CMQWJULHALWYDK-UHFFFAOYSA-N 1 0 247.338 2.225 10 0 BEAERO CC(C)(C)C[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400363161 582569189 /nfs/dbraw/zinc/56/91/89/582569189.db2.gz BGNVULGVGONGOM-LBPRGKRZSA-N 1 0 207.321 2.207 10 0 BEAERO Cc1ccsc1[C@@H]1CC[NH+]=C2N[C@H](C)CN21 ZINC000235435642 582580046 /nfs/dbraw/zinc/58/00/46/582580046.db2.gz HMIGVBXZYRENPR-ZJUUUORDSA-N 1 0 235.356 2.151 10 0 BEAERO CCc1ccc(Cn2cc[nH+]c2N)cc1 ZINC000037483182 582675080 /nfs/dbraw/zinc/67/50/80/582675080.db2.gz KZHJCYCAJAFWFN-UHFFFAOYSA-N 1 0 201.273 2.076 10 0 BEAERO CC(C)(C)OC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000209612616 582817914 /nfs/dbraw/zinc/81/79/14/582817914.db2.gz LRWFWBFPWSIXBG-VHSXEESVSA-N 1 0 213.321 2.236 10 0 BEAERO CC[C@H](C)C[NH2+]CC1(n2cccn2)CC1 ZINC000725269719 582818347 /nfs/dbraw/zinc/81/83/47/582818347.db2.gz PYAKJLVYNLOWCB-NSHDSACASA-N 1 0 207.321 2.008 10 0 BEAERO CC[C@@H](C)C[NH2+]CC1(n2cccn2)CC1 ZINC000725269717 582818423 /nfs/dbraw/zinc/81/84/23/582818423.db2.gz PYAKJLVYNLOWCB-LLVKDONJSA-N 1 0 207.321 2.008 10 0 BEAERO Clc1cccc(-c2cnnn2[C@H]2CC[NH2+]C2)c1 ZINC000259483400 582834876 /nfs/dbraw/zinc/83/48/76/582834876.db2.gz SBHLZEUQGHLXDS-NSHDSACASA-N 1 0 248.717 2.133 10 0 BEAERO Clc1cccc(-c2cnnn2[C@@H]2CC[NH2+]C2)c1 ZINC000259483379 582835362 /nfs/dbraw/zinc/83/53/62/582835362.db2.gz SBHLZEUQGHLXDS-LLVKDONJSA-N 1 0 248.717 2.133 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@]21CO[C@H](C2CC2)C1 ZINC000701088750 582849507 /nfs/dbraw/zinc/84/95/07/582849507.db2.gz AHPUSAISNBQUBF-AAEUAGOBSA-N 1 0 235.352 2.288 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@]21CO[C@@H](C2CC2)C1 ZINC000701088752 582849520 /nfs/dbraw/zinc/84/95/20/582849520.db2.gz AHPUSAISNBQUBF-DGCLKSJQSA-N 1 0 235.352 2.288 10 0 BEAERO c1cc2c(cc1C[NH+]1CCC1)CCCN2 ZINC000393764578 582922570 /nfs/dbraw/zinc/92/25/70/582922570.db2.gz QASJVJVHYIQBHV-UHFFFAOYSA-N 1 0 202.301 2.250 10 0 BEAERO Nc1[nH+]ccn1Cc1cc(F)ccc1Cl ZINC000702517711 582927453 /nfs/dbraw/zinc/92/74/53/582927453.db2.gz OGCGFFBUIRROLL-UHFFFAOYSA-N 1 0 225.654 2.306 10 0 BEAERO C[C@H](C(=O)C(F)(F)F)[C@@H]1CCCCC[NH2+]1 ZINC000702915487 582929882 /nfs/dbraw/zinc/92/98/82/582929882.db2.gz UPSRKQIHGWTUEX-YUMQZZPRSA-N 1 0 223.238 2.286 10 0 BEAERO Cc1c([C@@H]2[NH2+]CCc3sccc32)cnn1C ZINC000397261268 583099626 /nfs/dbraw/zinc/09/96/26/583099626.db2.gz ZJAQDBLAXZFDNH-GFCCVEGCSA-N 1 0 233.340 2.025 10 0 BEAERO Cn1cc(C[NH2+]CCC2=CCCC2)cn1 ZINC000120146717 583106547 /nfs/dbraw/zinc/10/65/47/583106547.db2.gz SOMKDUAPGUQFAF-UHFFFAOYSA-N 1 0 205.305 2.010 10 0 BEAERO CC[C@@H]1CN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](CC)O1 ZINC000398581558 583144414 /nfs/dbraw/zinc/14/44/14/583144414.db2.gz MIEBNOIMWPTYFX-RFQIPJPRSA-N 1 0 240.391 2.016 10 0 BEAERO CC[C@@H]1CN([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H](CC)O1 ZINC000398581554 583144454 /nfs/dbraw/zinc/14/44/54/583144454.db2.gz MIEBNOIMWPTYFX-AAVRWANBSA-N 1 0 240.391 2.016 10 0 BEAERO CC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000215623955 583584417 /nfs/dbraw/zinc/58/44/17/583584417.db2.gz VHEVZFOSUYYRBL-WDEREUQCSA-N 1 0 242.363 2.289 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000123361678 584943193 /nfs/dbraw/zinc/94/31/93/584943193.db2.gz OTWIEFRNFRMBOH-HTQZYQBOSA-N 1 0 243.294 2.133 10 0 BEAERO CCC[C@@H]1CCC[N@H+](CN2CCOC2=S)C1 ZINC000121343872 585068276 /nfs/dbraw/zinc/06/82/76/585068276.db2.gz BTHPKSVERZMPFD-LLVKDONJSA-N 1 0 242.388 2.073 10 0 BEAERO CCOc1cccc(-c2[nH+]ccc(N)c2N)c1F ZINC000757566131 586306494 /nfs/dbraw/zinc/30/64/94/586306494.db2.gz KXWLITHWJKAECO-UHFFFAOYSA-N 1 0 247.273 2.451 10 0 BEAERO Cc1ccc(C2=CCOCC2)cc1CC[NH3+] ZINC000757572718 586382568 /nfs/dbraw/zinc/38/25/68/586382568.db2.gz TZYAGMVXOGEZEQ-UHFFFAOYSA-N 1 0 217.312 2.300 10 0 BEAERO CC[C@@]1(C)CCO[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757141832 586427606 /nfs/dbraw/zinc/42/76/06/586427606.db2.gz COCVAWOPYMCNID-NWDGAFQWSA-N 1 0 213.321 2.060 10 0 BEAERO CC(C)C1CCC2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757139207 586427639 /nfs/dbraw/zinc/42/76/39/586427639.db2.gz FSZXKNPJODPYGS-UHFFFAOYSA-N 1 0 239.359 2.165 10 0 BEAERO CCC[C@@H]1CCO[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757143403 586428487 /nfs/dbraw/zinc/42/84/87/586428487.db2.gz MRDFRUUWHKANDM-PWSUYJOCSA-N 1 0 213.321 2.060 10 0 BEAERO [NH3+]C[C@H]1CCN1Cc1ccc(Cl)cc1F ZINC000757149307 586428888 /nfs/dbraw/zinc/42/88/88/586428888.db2.gz ZSRRXCOKHSPVAT-SNVBAGLBSA-N 1 0 228.698 2.012 10 0 BEAERO C[NH2+][C@](C)(CO)CSCc1ccc(Cl)o1 ZINC000757162331 586432231 /nfs/dbraw/zinc/43/22/31/586432231.db2.gz CTDOPKZQVUTBNY-SNVBAGLBSA-N 1 0 249.763 2.137 10 0 BEAERO Cc1ccc2c(c1Cl)NC(=O)C[C@H]2C[NH3+] ZINC000757175305 586433211 /nfs/dbraw/zinc/43/32/11/586433211.db2.gz BMIJWQLYAPMXNV-ZETCQYMHSA-N 1 0 224.691 2.033 10 0 BEAERO [NH3+]C[C@@H]1CC(=O)Nc2c1cccc2C(F)(F)F ZINC000757176032 586433435 /nfs/dbraw/zinc/43/34/35/586433435.db2.gz VTYPGGCMAQRBIA-LURJTMIESA-N 1 0 244.216 2.090 10 0 BEAERO CCOC(=O)/C=C1/CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000757191604 586435845 /nfs/dbraw/zinc/43/58/45/586435845.db2.gz PWTKGSUFKJHZAQ-XJNROGLQSA-N 1 0 223.316 2.028 10 0 BEAERO COC(=O)[C@@H](C[NH3+])C1CCCCCCC1 ZINC000757192015 586435994 /nfs/dbraw/zinc/43/59/94/586435994.db2.gz MEOFSWLQBYELHD-NSHDSACASA-N 1 0 213.321 2.095 10 0 BEAERO CC1(c2ccc([C@@H]3C[C@@H]([NH3+])CC[NH2+]3)cc2)CC1 ZINC000757206827 586437507 /nfs/dbraw/zinc/43/75/07/586437507.db2.gz APUZASJUJHXWRQ-KBPBESRZSA-N 1 0 230.355 2.490 10 0 BEAERO C[C@H]1C[C@@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757212846 586437602 /nfs/dbraw/zinc/43/76/02/586437602.db2.gz JZYQSSCSLICQNX-IUCAKERBSA-N 1 0 209.314 2.416 10 0 BEAERO C[C@@H]1C[C@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757212855 586439276 /nfs/dbraw/zinc/43/92/76/586439276.db2.gz JZYQSSCSLICQNX-RKDXNWHRSA-N 1 0 209.314 2.416 10 0 BEAERO CC(=O)c1ccc([C@@H]2CC[C@H]([NH3+])[C@@H](C)N2)cc1 ZINC000757213326 586439427 /nfs/dbraw/zinc/43/94/27/586439427.db2.gz JKLQUKCCCKSKJQ-IIMNLJJBSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2ccc(C=O)s2)C1 ZINC000757215383 586440835 /nfs/dbraw/zinc/44/08/35/586440835.db2.gz NVHLMTUUATWHIS-DTWKUNHWSA-N 1 0 209.314 2.274 10 0 BEAERO CC1(C)CCC[C@]2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000757217990 586441897 /nfs/dbraw/zinc/44/18/97/586441897.db2.gz LVHUSVKIYXAGNU-GXFFZTMASA-N 1 0 225.332 2.237 10 0 BEAERO C[C@@H]1CCN[C@@H](c2cccc3cc[nH]c32)[C@@H]1[NH3+] ZINC000757219377 586442443 /nfs/dbraw/zinc/44/24/43/586442443.db2.gz WYNNQICSHAZCHA-IUPBHXKESA-N 1 0 229.327 2.166 10 0 BEAERO [NH3+][C@@H]1CCCN[C@H]1c1cscc1C(F)F ZINC000757230002 586443016 /nfs/dbraw/zinc/44/30/16/586443016.db2.gz FTFHRDYORXMPER-BDAKNGLRSA-N 1 0 232.299 2.438 10 0 BEAERO [NH3+][C@H]1CCN[C@@H](c2cscc2C(F)F)C1 ZINC000757232407 586443262 /nfs/dbraw/zinc/44/32/62/586443262.db2.gz IEDPIXRQHXVBFC-IMTBSYHQSA-N 1 0 232.299 2.438 10 0 BEAERO [NH3+][C@@H]1CNC[C@@H](c2cscc2C(F)F)C1 ZINC000757239515 586444345 /nfs/dbraw/zinc/44/43/45/586444345.db2.gz ULMKVEIBJRNGKV-BQBZGAKWSA-N 1 0 232.299 2.090 10 0 BEAERO [NH3+][C@H]1CC[C@@H](c2cscc2C(F)F)NC1 ZINC000757238588 586444358 /nfs/dbraw/zinc/44/43/58/586444358.db2.gz STKGWHXSWJJGSY-RCOVLWMOSA-N 1 0 232.299 2.438 10 0 BEAERO Cc1cccc(-c2noc(CC[C@@H](C)[NH3+])n2)c1 ZINC000104062941 587929425 /nfs/dbraw/zinc/92/94/25/587929425.db2.gz GZMNDVHZDIEWPY-SNVBAGLBSA-N 1 0 231.299 2.325 10 0 BEAERO C[C@H]1C[N@H+](CC2(O)CCCCC2)CCS1 ZINC000106386142 588269921 /nfs/dbraw/zinc/26/99/21/588269921.db2.gz ORQIACLGVRQEQE-NSHDSACASA-N 1 0 229.389 2.119 10 0 BEAERO C[C@H](CO)C[NH+]1CCC2(CCCC2)CC1 ZINC000121024532 589487187 /nfs/dbraw/zinc/48/71/87/589487187.db2.gz ASAIEPDXPVRFEH-LBPRGKRZSA-N 1 0 211.349 2.271 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)c(C)o1 ZINC000121060026 589492422 /nfs/dbraw/zinc/49/24/22/589492422.db2.gz XKTKPJNTZCVYIC-DGCLKSJQSA-N 1 0 223.316 2.147 10 0 BEAERO Cc1cc(C(C)C)nc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000122310236 589578014 /nfs/dbraw/zinc/57/80/14/589578014.db2.gz LBXQZESZDXRLBR-LBPRGKRZSA-N 1 0 248.374 2.084 10 0 BEAERO CC(C)C1C[NH+](CC2(O)CCCCC2)C1 ZINC000123531719 589747095 /nfs/dbraw/zinc/74/70/95/589747095.db2.gz YBZIVUSRJMZTIE-UHFFFAOYSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1ccc(N(C)CCC[NH3+])cc1Cl ZINC000020239889 590090789 /nfs/dbraw/zinc/09/07/89/590090789.db2.gz CVJOEVLEQFGMBT-UHFFFAOYSA-N 1 0 212.724 2.433 10 0 BEAERO COCCOC[C@@H](C)[NH2+]CC1CCCCC1 ZINC000125721402 590185279 /nfs/dbraw/zinc/18/52/79/590185279.db2.gz ADGVCYYONWTMFO-GFCCVEGCSA-N 1 0 229.364 2.208 10 0 BEAERO CC[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CCCO1 ZINC000126312100 590272886 /nfs/dbraw/zinc/27/28/86/590272886.db2.gz VQYBROFGLVJERR-NEPJUHHUSA-N 1 0 209.289 2.327 10 0 BEAERO c1cn(CCC[NH2+]C2CCCCCCC2)nn1 ZINC000126433042 590303237 /nfs/dbraw/zinc/30/32/37/590303237.db2.gz IJVSZMIOFPZVJV-UHFFFAOYSA-N 1 0 236.363 2.371 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1occc1C ZINC000126732073 590428444 /nfs/dbraw/zinc/42/84/44/590428444.db2.gz RFVVJPSIOZYWHJ-MNOVXSKESA-N 1 0 209.289 2.245 10 0 BEAERO CCSCC[C@@H](C)[N@H+](C)CCC(C)=O ZINC000126812506 590459270 /nfs/dbraw/zinc/45/92/70/590459270.db2.gz JXWPXPSZKABMJI-SNVBAGLBSA-N 1 0 217.378 2.429 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]CC[S@](C)=O)CC(C)(C)C1 ZINC000126871863 590478205 /nfs/dbraw/zinc/47/82/05/590478205.db2.gz WSJCJBARMXTTEG-FIXISWKDSA-N 1 0 231.405 2.169 10 0 BEAERO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000127118305 590565132 /nfs/dbraw/zinc/56/51/32/590565132.db2.gz YRNDLJNUAJMSMV-VXGBXAGGSA-N 1 0 209.289 2.327 10 0 BEAERO Cc1cc(F)ccc1-c1nc([C@H](C)C[NH3+])no1 ZINC000127600931 590720965 /nfs/dbraw/zinc/72/09/65/590720965.db2.gz QWXKMYVPQMLZFF-MRVPVSSYSA-N 1 0 235.262 2.246 10 0 BEAERO CC[C@H]1CCC[C@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000128044960 590885110 /nfs/dbraw/zinc/88/51/10/590885110.db2.gz GXLXTGZXJUZONS-QWRGUYRKSA-N 1 0 247.342 2.362 10 0 BEAERO CCOCCCC[NH2+][C@H]1CCCSC1 ZINC000128246183 590950489 /nfs/dbraw/zinc/95/04/89/590950489.db2.gz OGZKKQZORPXQAL-NSHDSACASA-N 1 0 217.378 2.288 10 0 BEAERO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000128555714 591120042 /nfs/dbraw/zinc/12/00/42/591120042.db2.gz CNHJOSWPZQAMCU-HBNTYKKESA-N 1 0 215.362 2.039 10 0 BEAERO C[C@@]1(Cc2cccs2)[NH2+]CCc2nc[nH]c21 ZINC000211099900 591125024 /nfs/dbraw/zinc/12/50/24/591125024.db2.gz BJTZAYQEYKCLHT-LBPRGKRZSA-N 1 0 233.340 2.075 10 0 BEAERO C[C@@H]1CCc2n[nH]c([C@@H]3CCC[NH2+]C3)c2C1 ZINC000211361517 591163172 /nfs/dbraw/zinc/16/31/72/591163172.db2.gz KUSHBPLGFDOQNP-NXEZZACHSA-N 1 0 219.332 2.002 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(Cl)nc1 ZINC000129163873 591266963 /nfs/dbraw/zinc/26/69/63/591266963.db2.gz VBLMKTUADJSECZ-SECBINFHSA-N 1 0 241.722 2.047 10 0 BEAERO CCCCC[C@@H](C)[NH2+]CCCn1ccnn1 ZINC000130073846 591434261 /nfs/dbraw/zinc/43/42/61/591434261.db2.gz DWTAXBLPEWGHJP-GFCCVEGCSA-N 1 0 224.352 2.227 10 0 BEAERO CC[C@H]1CCCCC[N@@H+]1CC(OC)OC ZINC000131149925 591559524 /nfs/dbraw/zinc/55/95/24/591559524.db2.gz MONGSYWXBQZQFF-NSHDSACASA-N 1 0 215.337 2.260 10 0 BEAERO C[C@@H]([NH2+]CCSC(F)(F)F)[C@H]1CCOC1 ZINC000132464561 591710606 /nfs/dbraw/zinc/71/06/06/591710606.db2.gz WDDZSJXQSYHSIP-SFYZADRCSA-N 1 0 243.294 2.254 10 0 BEAERO CCC[C@H](C)C[NH2+]C[C@H](O)CC(C)C ZINC000132629039 591725534 /nfs/dbraw/zinc/72/55/34/591725534.db2.gz YCCAUDJXKLSZQO-NWDGAFQWSA-N 1 0 201.354 2.419 10 0 BEAERO CC(C)(C)OCC[NH2+]C[C@H](O)c1ccccc1 ZINC000132902358 591746621 /nfs/dbraw/zinc/74/66/21/591746621.db2.gz ZOMQESMQDSEOBO-ZDUSSCGKSA-N 1 0 237.343 2.125 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CC[S@@](C)=O ZINC000133837592 591862408 /nfs/dbraw/zinc/86/24/08/591862408.db2.gz ZLWBUSGFIKQWHH-NHYWBVRUSA-N 1 0 225.357 2.024 10 0 BEAERO COc1c(C[NH2+]CCCC(C)C)c(C)nn1C ZINC000134115111 591887685 /nfs/dbraw/zinc/88/76/85/591887685.db2.gz AXOABFJXMUTPPS-UHFFFAOYSA-N 1 0 239.363 2.263 10 0 BEAERO COc1ccc([C@H](O)C[NH2+]Cc2ccoc2)cc1 ZINC000134283838 591911878 /nfs/dbraw/zinc/91/18/78/591911878.db2.gz XPEMZLTZKLCUQT-CQSZACIVSA-N 1 0 247.294 2.111 10 0 BEAERO Cc1cc(C[NH2+]CC[S@@](C)=O)ccc1Cl ZINC000134653882 591944757 /nfs/dbraw/zinc/94/47/57/591944757.db2.gz KTPITVQUYDSFSD-HNNXBMFYSA-N 1 0 245.775 2.117 10 0 BEAERO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCCSC1 ZINC000134815499 591951830 /nfs/dbraw/zinc/95/18/30/591951830.db2.gz UJSMXKWHGJHKPW-WDEREUQCSA-N 1 0 231.405 2.269 10 0 BEAERO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCSC2)[nH]n1 ZINC000134815115 591951970 /nfs/dbraw/zinc/95/19/70/591951970.db2.gz SROYGDHEUJVUEA-GXSJLCMTSA-N 1 0 239.388 2.134 10 0 BEAERO C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CCCSC1 ZINC000134812681 591952053 /nfs/dbraw/zinc/95/20/53/591952053.db2.gz VBSDXBMCIBMSCX-MNOVXSKESA-N 1 0 231.405 2.269 10 0 BEAERO CC(C)(C)C[C@@H](CO)[NH2+][C@H]1CCCSC1 ZINC000134815475 591952341 /nfs/dbraw/zinc/95/23/41/591952341.db2.gz UJSMXKWHGJHKPW-QWRGUYRKSA-N 1 0 231.405 2.269 10 0 BEAERO Cc1ncc(CC[NH2+][C@H]2CCCSC2)s1 ZINC000134815405 591952394 /nfs/dbraw/zinc/95/23/94/591952394.db2.gz MABRMCFVPGVERL-JTQLQIEISA-N 1 0 242.413 2.479 10 0 BEAERO Cc1cnc([C@@H](C)Nc2cc(C)[nH+]c(N)n2)s1 ZINC000134931101 591962049 /nfs/dbraw/zinc/96/20/49/591962049.db2.gz DLNWVTPGBHRXEY-MRVPVSSYSA-N 1 0 249.343 2.305 10 0 BEAERO C[C@@H](CCCO)[NH2+]Cc1cncc2ccccc21 ZINC000135381140 592010820 /nfs/dbraw/zinc/01/08/20/592010820.db2.gz KUFPEGMPGVKJAM-LBPRGKRZSA-N 1 0 244.338 2.485 10 0 BEAERO C[C@@H]1CN(Cc2cncc3ccccc32)CC[NH2+]1 ZINC000135632920 592026441 /nfs/dbraw/zinc/02/64/41/592026441.db2.gz BDFQQXJGHDXTQQ-GFCCVEGCSA-N 1 0 241.338 2.029 10 0 BEAERO C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C(C)(C)C ZINC000136188448 592100494 /nfs/dbraw/zinc/10/04/94/592100494.db2.gz UUFLPVNNAAWZPA-FZMZJTMJSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(N(C)C)cc1 ZINC000136315941 592105419 /nfs/dbraw/zinc/10/54/19/592105419.db2.gz SFXNGDSVZKVIHH-ZDUSSCGKSA-N 1 0 249.358 2.065 10 0 BEAERO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000221510805 592430578 /nfs/dbraw/zinc/43/05/78/592430578.db2.gz XICZFWIKCWAPMP-QJPTWQEYSA-N 1 0 240.391 2.173 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000300459670 592513473 /nfs/dbraw/zinc/51/34/73/592513473.db2.gz RKINVBQNCWSFGH-IVZWLZJFSA-N 1 0 235.331 2.426 10 0 BEAERO OC[C@H]1CCCCC[N@@H+]1Cc1ccoc1 ZINC000124799609 634435280 /nfs/dbraw/zinc/43/52/80/634435280.db2.gz UMMQERVWMCIMHH-GFCCVEGCSA-N 1 0 209.289 2.017 10 0 BEAERO C[C@H](CCc1ccsc1)[NH2+][C@H](C)[C@H](C)O ZINC000336760547 635285935 /nfs/dbraw/zinc/28/59/35/635285935.db2.gz LTEAYPHBMMOCQU-MXWKQRLJSA-N 1 0 227.373 2.428 10 0 BEAERO C[NH+](C)C1CCN(CCC(=O)C(C)(C)C)CC1 ZINC000054026450 635327682 /nfs/dbraw/zinc/32/76/82/635327682.db2.gz CCCUCIANYZCFRI-UHFFFAOYSA-N 1 0 240.391 2.018 10 0 BEAERO CC1(C)C[C@H]1c1noc(C2(C[NH3+])CCCC2)n1 ZINC000225475111 635409934 /nfs/dbraw/zinc/40/99/34/635409934.db2.gz AFKSYUGRQZZAOG-VIFPVBQESA-N 1 0 235.331 2.354 10 0 BEAERO Cc1cccc(CN(C)c2cc(C)[nH+]c(N)n2)c1 ZINC000107834996 635490462 /nfs/dbraw/zinc/49/04/62/635490462.db2.gz RCTMZQVTXDWFOK-UHFFFAOYSA-N 1 0 242.326 2.312 10 0 BEAERO CC1(C)C[C@H]1c1noc(-c2ccnc(C[NH3+])c2)n1 ZINC000232870942 635518500 /nfs/dbraw/zinc/51/85/00/635518500.db2.gz FVFCEJQHGXOJRE-JTQLQIEISA-N 1 0 244.298 2.104 10 0 BEAERO CCN(c1nccc2occc21)[C@@H]1CC[NH2+]C1 ZINC000233490265 635536903 /nfs/dbraw/zinc/53/69/03/635536903.db2.gz ACJSOZNHCWRZOB-SNVBAGLBSA-N 1 0 231.299 2.016 10 0 BEAERO C[C@@H](C[NH3+])c1noc([C@@H](C)c2ccccc2)n1 ZINC000235155558 635568769 /nfs/dbraw/zinc/56/87/69/635568769.db2.gz NRJSHGRXWGQGJU-UWVGGRQHSA-N 1 0 231.299 2.284 10 0 BEAERO Clc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)o1 ZINC000257930411 631304713 /nfs/dbraw/zinc/30/47/13/631304713.db2.gz GZDUCRXREAMLJA-LURJTMIESA-N 1 0 239.662 2.408 10 0 BEAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H](C)O ZINC000308629743 631445597 /nfs/dbraw/zinc/44/55/97/631445597.db2.gz YLSOTBRZCQLGFI-GUBZILKMSA-N 1 0 213.346 2.476 10 0 BEAERO CC1(C)OC[C@H](C[NH2+]CC2CCCCC2)O1 ZINC000034355751 631493347 /nfs/dbraw/zinc/49/33/47/631493347.db2.gz GHJAFPDGPNAYIY-LBPRGKRZSA-N 1 0 227.348 2.308 10 0 BEAERO CSc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)s1 ZINC000308714197 631531148 /nfs/dbraw/zinc/53/11/48/631531148.db2.gz AMKPRVLTGGXFGE-JGVFFNPUSA-N 1 0 231.386 2.329 10 0 BEAERO Cc1c(Cl)cccc1NC(=O)C1CC([NH3+])C1 ZINC000258663435 631574789 /nfs/dbraw/zinc/57/47/89/631574789.db2.gz GZWLPJMSGLEETF-UHFFFAOYSA-N 1 0 238.718 2.324 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)[C@H](C)O ZINC000309031378 631806264 /nfs/dbraw/zinc/80/62/64/631806264.db2.gz DZJMOEWAYGVFQZ-SFYZADRCSA-N 1 0 231.698 2.338 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H](C)O)c1 ZINC000309036900 631807275 /nfs/dbraw/zinc/80/72/75/631807275.db2.gz IQKUCDNNUBPOJQ-NWDGAFQWSA-N 1 0 207.317 2.162 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000309054605 631834278 /nfs/dbraw/zinc/83/42/78/631834278.db2.gz SYJZMHNGJOYUGL-CIUDSAMLSA-N 1 0 228.723 2.155 10 0 BEAERO [NH3+]C1CC(CNC(=O)C2CCCCCCC2)C1 ZINC000091524284 632049737 /nfs/dbraw/zinc/04/97/37/632049737.db2.gz CFURLESVKVOKML-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO Cc1cccc(CNC(=[NH2+])NC2CCCCC2)n1 ZINC000052047404 632055804 /nfs/dbraw/zinc/05/58/04/632055804.db2.gz AGTXHGQOXIUQNE-UHFFFAOYSA-N 1 0 246.358 2.337 10 0 BEAERO C1CC[C@H]2[C@@H](C1)[C@@H]2c1nc(C2CC[NH2+]CC2)no1 ZINC000250863751 635701791 /nfs/dbraw/zinc/70/17/91/635701791.db2.gz QVBIQJZLYJOPSY-GDNZZTSVSA-N 1 0 247.342 2.440 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000251142311 635703565 /nfs/dbraw/zinc/70/35/65/635703565.db2.gz WNPUKNKMSRWZGX-IMSYWVGJSA-N 1 0 221.304 2.035 10 0 BEAERO C[C@@H](c1nc([C@@H](C)C[NH3+])no1)c1ccccc1 ZINC000235155635 632106923 /nfs/dbraw/zinc/10/69/23/632106923.db2.gz NRJSHGRXWGQGJU-VHSXEESVSA-N 1 0 231.299 2.284 10 0 BEAERO Cc1ccc(C)c(-c2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158823 635776225 /nfs/dbraw/zinc/77/62/25/635776225.db2.gz GLVPGHMRHADQCW-JTQLQIEISA-N 1 0 231.299 2.416 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2ccc(F)cc2F)n1 ZINC000054158763 635776287 /nfs/dbraw/zinc/77/62/87/635776287.db2.gz YZOHFHZLMDWMFA-LURJTMIESA-N 1 0 239.225 2.077 10 0 BEAERO CCc1ccc(-c2nc([C@H](C)C[NH3+])no2)cc1 ZINC000054158828 635776770 /nfs/dbraw/zinc/77/67/70/635776770.db2.gz UWUSUSLPFDXMJV-SECBINFHSA-N 1 0 231.299 2.361 10 0 BEAERO CC[C@H](C)c1noc(CC[C@@H]2CCC[NH2+]2)n1 ZINC000309538213 632477186 /nfs/dbraw/zinc/47/71/86/632477186.db2.gz FLTJEVAHJGMXLY-UWVGGRQHSA-N 1 0 223.320 2.268 10 0 BEAERO COC1CC([NH2+][C@H]2CS[C@@H](C(C)C)C2)C1 ZINC000308969155 632600022 /nfs/dbraw/zinc/60/00/22/632600022.db2.gz XYEQNASXVICAFC-RUJICJSRSA-N 1 0 229.389 2.284 10 0 BEAERO COCC[C@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309646996 632611579 /nfs/dbraw/zinc/61/15/79/632611579.db2.gz MOSUFTAPDGAFGS-GWCFXTLKSA-N 1 0 222.332 2.407 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309051063 632630504 /nfs/dbraw/zinc/63/05/04/632630504.db2.gz RDRRRVRGOCTETH-MMWGEVLESA-N 1 0 231.405 2.266 10 0 BEAERO CC/C=C(\C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176965507 632673894 /nfs/dbraw/zinc/67/38/94/632673894.db2.gz UCMHKOAXYLUQRU-RPHSKFLZSA-N 1 0 238.375 2.285 10 0 BEAERO Cc1cc(-c2cnn(CCC[NH3+])c2)ccc1F ZINC000310276897 632713313 /nfs/dbraw/zinc/71/33/13/632713313.db2.gz JXBJDHQJJHZURQ-UHFFFAOYSA-N 1 0 233.290 2.346 10 0 BEAERO CC1(C)[C@@H](O)CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000310527508 632753743 /nfs/dbraw/zinc/75/37/43/632753743.db2.gz YJEBGOMAPOCUFX-JSGCOSHPSA-N 1 0 231.339 2.172 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)C(C)(C)C ZINC000162746428 633037970 /nfs/dbraw/zinc/03/79/70/633037970.db2.gz KRQWSHHYSYGRQD-QWRGUYRKSA-N 1 0 228.380 2.158 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCCC(C)(C)CC2 ZINC000166439812 633112771 /nfs/dbraw/zinc/11/27/71/633112771.db2.gz ITSWNUXGHAYCKA-FZMZJTMJSA-N 1 0 239.359 2.356 10 0 BEAERO COC(=O)[C@H]1C[NH2+]C[C@]12CCCC(C)(C)CC2 ZINC000166439496 633114420 /nfs/dbraw/zinc/11/44/20/633114420.db2.gz ITSWNUXGHAYCKA-BXUZGUMPSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCCC(C)(C)C2 ZINC000166591941 633117255 /nfs/dbraw/zinc/11/72/55/633117255.db2.gz ZKJANWCRSSDTOK-RISCZKNCSA-N 1 0 239.359 2.356 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccnc(Cl)c2)C1 ZINC000309473342 633130402 /nfs/dbraw/zinc/13/04/02/633130402.db2.gz RFXHSFABQYVGSO-GXSJLCMTSA-N 1 0 239.750 2.487 10 0 BEAERO [NH3+]C1CC(CNc2nccc3ccccc32)C1 ZINC000168815189 633151543 /nfs/dbraw/zinc/15/15/43/633151543.db2.gz NWLIJPCNWLQKMN-UHFFFAOYSA-N 1 0 227.311 2.384 10 0 BEAERO CCC[C@@H](C)Cc1nc([C@@H](C)C[NH3+])no1 ZINC000309512498 633183043 /nfs/dbraw/zinc/18/30/43/633183043.db2.gz XTJWOJIOBRCEQP-BDAKNGLRSA-N 1 0 211.309 2.111 10 0 BEAERO C[C@@H]([NH2+]Cc1cc(Cl)cs1)[C@H](C)O ZINC000308265620 633194579 /nfs/dbraw/zinc/19/45/79/633194579.db2.gz PRUWCBDNYMKVKO-RQJHMYQMSA-N 1 0 219.737 2.260 10 0 BEAERO Cc1cc(-c2cnc(N)c(C)c2)sn1 ZINC000306310359 635963275 /nfs/dbraw/zinc/96/32/75/635963275.db2.gz QFVKTILKARAZDH-UHFFFAOYSA-N 1 0 205.286 2.404 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000336764589 636006686 /nfs/dbraw/zinc/00/66/86/636006686.db2.gz QGXQKSIZZBTQHN-JGVFFNPUSA-N 1 0 231.698 2.338 10 0 BEAERO FC(F)(F)CCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334430845 636044899 /nfs/dbraw/zinc/04/48/99/636044899.db2.gz JYZIFZKOSQJBGF-JTQLQIEISA-N 1 0 236.281 2.014 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@@H](CC[NH3+])C2)n1 ZINC000125498855 636024705 /nfs/dbraw/zinc/02/47/05/636024705.db2.gz QWOFDXMNMBLCAF-GFCCVEGCSA-N 1 0 248.374 2.084 10 0 BEAERO CSCc1cccc(-c2cnn(CC[NH3+])c2)c1 ZINC000328113128 633733473 /nfs/dbraw/zinc/73/34/73/633733473.db2.gz XWSKPSXJPXVUSM-UHFFFAOYSA-N 1 0 247.367 2.372 10 0 BEAERO OCCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000175748322 633792155 /nfs/dbraw/zinc/79/21/55/633792155.db2.gz HTXUYADBLZXVCY-UONOGXRCSA-N 1 0 241.375 2.183 10 0 BEAERO COc1cccc([C@@H](CO)[NH2+]C/C=C\Cl)c1 ZINC000309916579 633935506 /nfs/dbraw/zinc/93/55/06/633935506.db2.gz PRCVRDPEEZDXFC-GCLPIYDQSA-N 1 0 241.718 2.071 10 0 BEAERO COc1cccc([C@@H](CO)[NH2+]C/C=C/Cl)c1 ZINC000309916581 633935814 /nfs/dbraw/zinc/93/58/14/633935814.db2.gz PRCVRDPEEZDXFC-MJRJWQSSSA-N 1 0 241.718 2.071 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309952320 633974025 /nfs/dbraw/zinc/97/40/25/633974025.db2.gz GSDZFDZNCZADGZ-IUCAKERBSA-N 1 0 242.388 2.300 10 0 BEAERO COCC1([NH2+]CCc2ccccc2)CCC1 ZINC000309655783 633984281 /nfs/dbraw/zinc/98/42/81/633984281.db2.gz PSRICCNRFIMZAF-UHFFFAOYSA-N 1 0 219.328 2.388 10 0 BEAERO CCC[C@](C)(CO)[NH2+]CCc1ccccc1 ZINC000310008184 634063273 /nfs/dbraw/zinc/06/32/73/634063273.db2.gz HOVVMXHXSRXRGW-CQSZACIVSA-N 1 0 221.344 2.370 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1cccc(F)n1 ZINC000162436833 634148684 /nfs/dbraw/zinc/14/86/84/634148684.db2.gz XWYPVSALEZMZHP-NXEZZACHSA-N 1 0 223.295 2.150 10 0 BEAERO CC1CCN(CC[NH2+]Cc2ccoc2)CC1 ZINC000053343337 634171446 /nfs/dbraw/zinc/17/14/46/634171446.db2.gz IFLBKYVYKRTKCV-UHFFFAOYSA-N 1 0 222.332 2.101 10 0 BEAERO c1cc(C[NH2+]CCOc2ccccc2)co1 ZINC000053566819 634247700 /nfs/dbraw/zinc/24/77/00/634247700.db2.gz YYUGHOPKLOSMCX-UHFFFAOYSA-N 1 0 217.268 2.448 10 0 BEAERO C[C@@H]([NH2+]CCOC1CCOCC1)c1ccco1 ZINC000053591085 634256049 /nfs/dbraw/zinc/25/60/49/634256049.db2.gz YHWJLMPEWAZPPX-LLVKDONJSA-N 1 0 239.315 2.126 10 0 BEAERO CC(C)(C)CC[NH2+]CCOC1CCOCC1 ZINC000053591010 634256806 /nfs/dbraw/zinc/25/68/06/634256806.db2.gz SFVPNGBGBJKPHT-UHFFFAOYSA-N 1 0 229.364 2.208 10 0 BEAERO CC[NH2+]CC1(c2ccc3c(c2)OCCO3)CC1 ZINC000053739727 634352552 /nfs/dbraw/zinc/35/25/52/634352552.db2.gz HAPWGQWNEGLAKV-UHFFFAOYSA-N 1 0 233.311 2.099 10 0 BEAERO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)[C@H](C)O ZINC000336754265 635281190 /nfs/dbraw/zinc/28/11/90/635281190.db2.gz IDGMSDVHPDJUBW-SFYZADRCSA-N 1 0 231.698 2.338 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)o1 ZINC000336757177 635282882 /nfs/dbraw/zinc/28/28/82/635282882.db2.gz JAKCFKNQQRZIBU-KXUCPTDWSA-N 1 0 211.305 2.262 10 0 BEAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)[C@H](C)O ZINC000336753854 635287862 /nfs/dbraw/zinc/28/78/62/635287862.db2.gz HVZZTPUOBOBHLP-ZDEQEGDKSA-N 1 0 211.349 2.338 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(CC)c1ccc(C)cc1 ZINC000223548581 635367241 /nfs/dbraw/zinc/36/72/41/635367241.db2.gz DVPKEPDYSLCFSX-ZDUSSCGKSA-N 1 0 234.343 2.475 10 0 BEAERO COC1CC([NH2+][C@@H](C)c2ccc(F)cn2)C1 ZINC000230673580 635489409 /nfs/dbraw/zinc/48/94/09/635489409.db2.gz WKKKDUMOFNZFGB-PUSIOWJLSA-N 1 0 224.279 2.049 10 0 BEAERO Cc1ccccc1Cc1nc([C@@H](C)C[NH3+])no1 ZINC000054158567 635775041 /nfs/dbraw/zinc/77/50/41/635775041.db2.gz AZQMJGCRMZBGDJ-JTQLQIEISA-N 1 0 231.299 2.031 10 0 BEAERO C[C@@H](C[NH3+])c1noc(CCC2CCCC2)n1 ZINC000054158577 635775261 /nfs/dbraw/zinc/77/52/61/635775261.db2.gz RLNSELWXKMFXDX-VIFPVBQESA-N 1 0 223.320 2.255 10 0 BEAERO CC(C)([NH3+])CCc1nc(CC2CCC2)no1 ZINC000304642430 635945455 /nfs/dbraw/zinc/94/54/55/635945455.db2.gz SLUFDHCGOXWQOU-UHFFFAOYSA-N 1 0 223.320 2.082 10 0 BEAERO COC(OC)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000079585277 636444022 /nfs/dbraw/zinc/44/40/22/636444022.db2.gz JSQSUKBDHORZCA-ZWNOBZJWSA-N 1 0 235.327 2.271 10 0 BEAERO C[C@H]1CCC[N@H+](Cc2nc(CO)cs2)[C@H]1C ZINC000669379639 636576016 /nfs/dbraw/zinc/57/60/16/636576016.db2.gz GOXCLCNSJCBBIA-UWVGGRQHSA-N 1 0 240.372 2.256 10 0 BEAERO [NH3+]CC[C@H]1CCN(c2nccc3occc32)C1 ZINC000236162713 636719365 /nfs/dbraw/zinc/71/93/65/636719365.db2.gz GQINBPNQTQGCSI-JTQLQIEISA-N 1 0 231.299 2.003 10 0 BEAERO Nc1[nH+]ccn1Cc1ccc(Cl)cc1F ZINC000163544281 636985986 /nfs/dbraw/zinc/98/59/86/636985986.db2.gz ZXAPWWHZRYWUMM-UHFFFAOYSA-N 1 0 225.654 2.306 10 0 BEAERO CN(Cc1ccc(F)cc1)C[C@H]1CCC[NH2+]1 ZINC000042437127 637245205 /nfs/dbraw/zinc/24/52/05/637245205.db2.gz ZNBYBFXTUTXXNR-CYBMUJFWSA-N 1 0 222.307 2.010 10 0 BEAERO C[N@H+](C[C@H]1CCCCO1)C1(C[NH3+])CCCCC1 ZINC000042463792 637264365 /nfs/dbraw/zinc/26/43/65/637264365.db2.gz CJTDMYGUMIABKY-CYBMUJFWSA-N 1 0 240.391 2.149 10 0 BEAERO CCC(CC)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000148942976 637782043 /nfs/dbraw/zinc/78/20/43/637782043.db2.gz XJBZXXGUBZZEGR-CMPLNLGQSA-N 1 0 227.348 2.164 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)O)CC2 ZINC000348438194 639208960 /nfs/dbraw/zinc/20/89/60/639208960.db2.gz XXUDOLAHQHFCPN-IMSIIYSGSA-N 1 0 235.327 2.041 10 0 BEAERO CC(C)C[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000054792381 640408982 /nfs/dbraw/zinc/40/89/82/640408982.db2.gz VIKOOZQNJQJJNS-UHFFFAOYSA-N 1 0 242.326 2.284 10 0 BEAERO CCCc1noc(C[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000156907355 640516169 /nfs/dbraw/zinc/51/61/69/640516169.db2.gz VXMVTGVCPNDNPP-GHMZBOCLSA-N 1 0 237.347 2.200 10 0 BEAERO CCCc1noc(C[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000156907493 640516510 /nfs/dbraw/zinc/51/65/10/640516510.db2.gz VXMVTGVCPNDNPP-WDEREUQCSA-N 1 0 237.347 2.200 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@H](C)CC2 ZINC000166520971 640645587 /nfs/dbraw/zinc/64/55/87/640645587.db2.gz YFKLWSTXJOHDLV-SGMGOOAPSA-N 1 0 239.359 2.356 10 0 BEAERO CCCCOC(=O)CC[N@H+](C)CCC ZINC000058399522 640706371 /nfs/dbraw/zinc/70/63/71/640706371.db2.gz PAFJBMPIHVQUIJ-UHFFFAOYSA-N 1 0 201.310 2.062 10 0 BEAERO CCC[C@@](C)([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698541 640711338 /nfs/dbraw/zinc/71/13/38/640711338.db2.gz PBKSGSHKZDOVLA-GFCCVEGCSA-N 1 0 224.352 2.087 10 0 BEAERO CC[C@H]1CC[NH2+][C@H](CC(=O)C(F)(F)F)C1 ZINC000167557705 640730754 /nfs/dbraw/zinc/73/07/54/640730754.db2.gz QREMSNGUARVWJK-YUMQZZPRSA-N 1 0 223.238 2.286 10 0 BEAERO CC1CCC(CNC(=[NH2+])NC2CC2)CC1 ZINC000060394444 640858739 /nfs/dbraw/zinc/85/87/39/640858739.db2.gz LJWKOXCODAQFND-UHFFFAOYSA-N 1 0 209.337 2.089 10 0 BEAERO CC[C@@H](C)c1noc(C[C@H]([NH3+])CC(C)C)n1 ZINC000087527028 640909526 /nfs/dbraw/zinc/90/95/26/640909526.db2.gz YGVFBJBWPSQBFY-NXEZZACHSA-N 1 0 225.336 2.499 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000229210992 640934230 /nfs/dbraw/zinc/93/42/30/640934230.db2.gz SCMBVFDJIUGJDG-COPLHBTASA-N 1 0 239.359 2.211 10 0 BEAERO CCc1cccc2c1OC[C@@H]([C@H](C)[NH3+])C2 ZINC000675063932 640961150 /nfs/dbraw/zinc/96/11/50/640961150.db2.gz UIKUHXWFMLJQFR-CABZTGNLSA-N 1 0 205.301 2.147 10 0 BEAERO C[C@H](C[NH3+])c1noc(C2(c3ccccc3)CC2)n1 ZINC000061618613 640977081 /nfs/dbraw/zinc/97/70/81/640977081.db2.gz UDSMATIASXRPFA-SNVBAGLBSA-N 1 0 243.310 2.212 10 0 BEAERO C1CS[C@@H](c2noc([C@H]3CCC[NH2+]C3)n2)C1 ZINC000087699855 640977558 /nfs/dbraw/zinc/97/75/58/640977558.db2.gz QJRLQTHGTXLWND-DTWKUNHWSA-N 1 0 239.344 2.105 10 0 BEAERO CC[C@@H](C)[NH2+][C@H](CO)CCc1ccccc1 ZINC000061625884 640979467 /nfs/dbraw/zinc/97/94/67/640979467.db2.gz SZQCJGWCIOBDFW-OCCSQVGLSA-N 1 0 221.344 2.368 10 0 BEAERO C/C(=C/c1ccco1)CN1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000230020671 641006975 /nfs/dbraw/zinc/00/69/75/641006975.db2.gz KMSUTWNKQCFGFS-PHACEPHWSA-N 1 0 246.354 2.352 10 0 BEAERO C[C@@H]1C[N@H+](CCC(=O)C(C)(C)C)CCCO1 ZINC000061934007 641008393 /nfs/dbraw/zinc/00/83/93/641008393.db2.gz DCGGXABCEXDTQO-LLVKDONJSA-N 1 0 227.348 2.103 10 0 BEAERO c1cc(C[NH2+]CCCOCC2CC2)co1 ZINC000062103465 641019297 /nfs/dbraw/zinc/01/92/97/641019297.db2.gz BZTOAKKXXCPEKU-UHFFFAOYSA-N 1 0 209.289 2.186 10 0 BEAERO CC(C)[C@H](CNCc1ccoc1)[NH+]1CCCC1 ZINC000062103586 641021311 /nfs/dbraw/zinc/02/13/11/641021311.db2.gz DKMMAEIRPHTYPJ-AWEZNQCLSA-N 1 0 236.359 2.490 10 0 BEAERO Cc1ccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000062119804 641023401 /nfs/dbraw/zinc/02/34/01/641023401.db2.gz GLHOSBIHNPUSMI-GFCCVEGCSA-N 1 0 243.310 2.046 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[Si](C)(C)C ZINC000172082376 641033203 /nfs/dbraw/zinc/03/32/03/641033203.db2.gz QFWHMZDEYUUIFP-VXGBXAGGSA-N 1 0 226.440 2.032 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000230418563 641053904 /nfs/dbraw/zinc/05/39/04/641053904.db2.gz IQCJUXIJVQHYQV-WCQYABFASA-N 1 0 232.327 2.064 10 0 BEAERO Cc1cc(-c2nc([C@@H](C)C[NH3+])no2)ccc1F ZINC000063058763 641124017 /nfs/dbraw/zinc/12/40/17/641124017.db2.gz DYIHIQMWLCRSFM-QMMMGPOBSA-N 1 0 235.262 2.246 10 0 BEAERO CC[C@@H](C)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084478 641128034 /nfs/dbraw/zinc/12/80/34/641128034.db2.gz IIQZGTPKBOBZQG-ZJUUUORDSA-N 1 0 223.320 2.125 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCN(C)C2)CC1 ZINC000063144917 641138708 /nfs/dbraw/zinc/13/87/08/641138708.db2.gz GTYWZIXBWUGGEM-WXRRBKDZSA-N 1 0 210.365 2.106 10 0 BEAERO CCN(CC)C(=O)C[NH2+]CC1CCC(C)CC1 ZINC000063145454 641139076 /nfs/dbraw/zinc/13/90/76/641139076.db2.gz ILOBOAYOTMXJDM-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000231294281 641156440 /nfs/dbraw/zinc/15/64/40/641156440.db2.gz OGYLCQFFOPIRQG-MELADBBJSA-N 1 0 246.354 2.210 10 0 BEAERO Cn1nccc1C1CC[NH+](C/C=C\Cl)CC1 ZINC000255237986 641181194 /nfs/dbraw/zinc/18/11/94/641181194.db2.gz FLFNERICAMHCMS-KXFIGUGUSA-N 1 0 239.750 2.352 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](CC)C(C)C ZINC000042592622 641556738 /nfs/dbraw/zinc/55/67/38/641556738.db2.gz XQFOYFQGPGEIIY-JQWIXIFHSA-N 1 0 214.353 2.055 10 0 BEAERO Cc1cccc([C@@H](O)C[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000044171286 641588341 /nfs/dbraw/zinc/58/83/41/641588341.db2.gz ZZFBHYVYIBWIOT-GJZGRUSLSA-N 1 0 249.354 2.139 10 0 BEAERO CC1(c2noc([C@@H]3CCCC[C@H]3C[NH3+])n2)CC1 ZINC000156311557 641605234 /nfs/dbraw/zinc/60/52/34/641605234.db2.gz YGXNBUJUFGVAMW-VHSXEESVSA-N 1 0 235.331 2.354 10 0 BEAERO CC1(c2noc([C@H]3CCCC[C@@H]3C[NH3+])n2)CC1 ZINC000156311431 641605608 /nfs/dbraw/zinc/60/56/08/641605608.db2.gz YGXNBUJUFGVAMW-ZJUUUORDSA-N 1 0 235.331 2.354 10 0 BEAERO Clc1cccc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000045949597 641617692 /nfs/dbraw/zinc/61/76/92/641617692.db2.gz QSMKJZPYDXKOLD-SECBINFHSA-N 1 0 225.723 2.147 10 0 BEAERO C[C@H]([NH3+])CNc1nc2ccc(F)cc2s1 ZINC000212629531 641659702 /nfs/dbraw/zinc/65/97/02/641659702.db2.gz SPMONNAHBLLBEI-LURJTMIESA-N 1 0 225.292 2.195 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCCCCCC1 ZINC000089450132 641759896 /nfs/dbraw/zinc/75/98/96/641759896.db2.gz ATXNSJGPFKQNCQ-STQMWFEESA-N 1 0 238.375 2.154 10 0 BEAERO CCc1cc(N2CCC[C@H](C(C)=O)C2)cc[nH+]1 ZINC000307794628 642312992 /nfs/dbraw/zinc/31/29/92/642312992.db2.gz JLFCLCZJINQEAB-LBPRGKRZSA-N 1 0 232.327 2.449 10 0 BEAERO CC/C=C\CC(=O)N1CC[N@H+](CC)C(C)(C)C1 ZINC000096791684 642492596 /nfs/dbraw/zinc/49/25/96/642492596.db2.gz KBNLSYIVYAXQQU-FPLPWBNLSA-N 1 0 238.375 2.285 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCC12CCCC2)[C@H](C)O ZINC000353505032 642858756 /nfs/dbraw/zinc/85/87/56/642858756.db2.gz UINVNVUSMICLBM-GRYCIOLGSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]([NH2+]CCCCCCCO)[C@H]1CCCO1 ZINC000183198271 643094976 /nfs/dbraw/zinc/09/49/76/643094976.db2.gz ZHFKYYWYUYNBEI-CHWSQXEVSA-N 1 0 229.364 2.086 10 0 BEAERO C[C@@H]([NH2+]C[C@H](O)C1CC1)c1cc(F)ccc1F ZINC000071299266 643124255 /nfs/dbraw/zinc/12/42/55/643124255.db2.gz AYHNTYZMJCVURB-OQPBUACISA-N 1 0 241.281 2.386 10 0 BEAERO C1CCC2(CC1)[NH2+]CC1(CCOCC1)CO2 ZINC000757143535 643307795 /nfs/dbraw/zinc/30/77/95/643307795.db2.gz NHDQCYJNDDUBKT-UHFFFAOYSA-N 1 0 225.332 2.063 10 0 BEAERO [NH3+]C[C@H]1CCN1Cc1c(F)cccc1Cl ZINC000757149147 643336832 /nfs/dbraw/zinc/33/68/32/643336832.db2.gz XYTFXLYPUIOLRJ-MRVPVSSYSA-N 1 0 228.698 2.012 10 0 BEAERO CC[C@H]([NH3+])CNc1ncnc2sc(C)cc21 ZINC000082579414 643346206 /nfs/dbraw/zinc/34/62/06/643346206.db2.gz ORVRLTRXRPUUDC-QMMMGPOBSA-N 1 0 236.344 2.149 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc(CC(C)(C)C)no1 ZINC000082675332 643365977 /nfs/dbraw/zinc/36/59/77/643365977.db2.gz FOOMVOSOZSQUNK-SECBINFHSA-N 1 0 225.336 2.184 10 0 BEAERO Cc1nn(C2CCCCCC2)cc1C(N)=[NH2+] ZINC000757196802 643366513 /nfs/dbraw/zinc/36/65/13/643366513.db2.gz YUAYBZOPDIKVHE-UHFFFAOYSA-N 1 0 220.320 2.371 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000757210099 643369615 /nfs/dbraw/zinc/36/96/15/643369615.db2.gz AHVQEQYFZPWCEJ-WDEREUQCSA-N 1 0 204.317 2.433 10 0 BEAERO CC(C)c1cnc(C[NH2+][C@@H](C)[C@H](C)O)s1 ZINC000336773580 643459984 /nfs/dbraw/zinc/45/99/84/643459984.db2.gz YZCVCNZRDLEJIA-IUCAKERBSA-N 1 0 228.361 2.125 10 0 BEAERO CC[NH+](CC)C[C@H](O)c1cc(F)ccc1F ZINC000049821364 643464428 /nfs/dbraw/zinc/46/44/28/643464428.db2.gz NPKPLSJYFIOJDP-LBPRGKRZSA-N 1 0 229.270 2.340 10 0 BEAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2OC)cc1 ZINC000049948969 643565947 /nfs/dbraw/zinc/56/59/47/643565947.db2.gz LUNZIBGDRHWXFP-KBPBESRZSA-N 1 0 235.327 2.352 10 0 BEAERO CCN(C(=O)C1CC[NH2+]CC1)c1ccc(C)cc1 ZINC000049988975 643575638 /nfs/dbraw/zinc/57/56/38/643575638.db2.gz YFLFJMLWKTYIOB-UHFFFAOYSA-N 1 0 246.354 2.348 10 0 BEAERO Cc1nsc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000083648386 643603481 /nfs/dbraw/zinc/60/34/81/643603481.db2.gz HFIMNKDIVHISIL-SNVBAGLBSA-N 1 0 242.392 2.235 10 0 BEAERO CCCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301396 643657299 /nfs/dbraw/zinc/65/72/99/643657299.db2.gz CNJVABMVRQRPJC-VXGBXAGGSA-N 1 0 226.364 2.010 10 0 BEAERO CCCCCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309657 643657564 /nfs/dbraw/zinc/65/75/64/643657564.db2.gz BHZMETFSDJTOSN-VXGBXAGGSA-N 1 0 226.364 2.058 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085010633 643679114 /nfs/dbraw/zinc/67/91/14/643679114.db2.gz TZBNMJDYWZTLOA-SRVKXCTJSA-N 1 0 226.364 2.199 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCCCCC1 ZINC000050372897 643692165 /nfs/dbraw/zinc/69/21/65/643692165.db2.gz SEUAPGWULGQCKM-STQMWFEESA-N 1 0 241.375 2.229 10 0 BEAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CC(C)(C)C1 ZINC000050393751 643694925 /nfs/dbraw/zinc/69/49/25/643694925.db2.gz USRGWJUVLADHCE-QJPTWQEYSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C(=O)N[C@@H]1CCC[NH2+][C@H]1C)=C1CCCC1 ZINC000193549905 644252444 /nfs/dbraw/zinc/25/24/44/644252444.db2.gz OKOZTHASGLGSIY-WCQYABFASA-N 1 0 236.359 2.134 10 0 BEAERO CCCc1noc([C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000084300348 644422122 /nfs/dbraw/zinc/42/21/22/644422122.db2.gz AVLXFZSUDBPBTA-ZJUUUORDSA-N 1 0 223.320 2.255 10 0 BEAERO CC(C)c1noc([C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000084300286 644423680 /nfs/dbraw/zinc/42/36/80/644423680.db2.gz IROUWNCVTHENAA-ZJUUUORDSA-N 1 0 223.320 2.426 10 0 BEAERO CCC(CC)n1ccc(C[NH2+]C(C)(C)CO)n1 ZINC000085173052 644434686 /nfs/dbraw/zinc/43/46/86/644434686.db2.gz SPMJMMZQMBBHQZ-UHFFFAOYSA-N 1 0 239.363 2.105 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089461264 644551017 /nfs/dbraw/zinc/55/10/17/644551017.db2.gz FUBDGFWVNOLVTM-JSGCOSHPSA-N 1 0 246.354 2.333 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248370267 644675935 /nfs/dbraw/zinc/67/59/35/644675935.db2.gz XGQBFELWORHOPD-LBPRGKRZSA-N 1 0 226.440 2.034 10 0 BEAERO CC1(c2nc(C[C@H]3CCC[NH2+]C3)no2)CCCC1 ZINC000094908447 644732214 /nfs/dbraw/zinc/73/22/14/644732214.db2.gz NLTFGYVILRFVHH-LLVKDONJSA-N 1 0 249.358 2.443 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1C ZINC000094996266 644734828 /nfs/dbraw/zinc/73/48/28/644734828.db2.gz UOXBSSILYJWHRO-GXTWGEPZSA-N 1 0 247.338 2.236 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000095638329 644760202 /nfs/dbraw/zinc/76/02/02/644760202.db2.gz FRCLRAZVFPPAGY-JTQLQIEISA-N 1 0 227.691 2.211 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc(F)cc1Cl ZINC000095638362 644760389 /nfs/dbraw/zinc/76/03/89/644760389.db2.gz LXEQXJVYZQZSDE-VIFPVBQESA-N 1 0 231.654 2.042 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000250796939 644780157 /nfs/dbraw/zinc/78/01/57/644780157.db2.gz BESZZHOUVWBEIK-AVGNSLFASA-N 1 0 240.391 2.460 10 0 BEAERO [NH3+][C@@H]1CC[C@H](c2nc([C@H]3CCCS3)no2)C1 ZINC000251272078 644801040 /nfs/dbraw/zinc/80/10/40/644801040.db2.gz MAOMURUUJUBJKA-DJLDLDEBSA-N 1 0 239.344 2.233 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000097092256 644870119 /nfs/dbraw/zinc/87/01/19/644870119.db2.gz GPTNJXNHECNTNE-VXGBXAGGSA-N 1 0 238.375 2.343 10 0 BEAERO [NH3+][C@@H]1CC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000097092257 644870812 /nfs/dbraw/zinc/87/08/12/644870812.db2.gz GPTNJXNHECNTNE-NWDGAFQWSA-N 1 0 238.375 2.343 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccco2)n1 ZINC000112716495 645513497 /nfs/dbraw/zinc/51/34/97/645513497.db2.gz SGWQWWSBLJRCSO-NSHDSACASA-N 1 0 246.310 2.409 10 0 BEAERO C[C@@H](Cn1ccnc1)[NH2+]CCc1ccccc1 ZINC000035275199 646179988 /nfs/dbraw/zinc/17/99/88/646179988.db2.gz OHTHLENVCBWGRJ-ZDUSSCGKSA-N 1 0 229.327 2.104 10 0 BEAERO C[C@@H]1CN(c2ccc(Cl)cn2)C[C@H]1CC[NH3+] ZINC000723886134 711543429 /nfs/dbraw/zinc/54/34/29/711543429.db2.gz HFJLAHPHWANODY-NXEZZACHSA-N 1 0 239.750 2.156 10 0 BEAERO COCC[C@@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724026387 711557057 /nfs/dbraw/zinc/55/70/57/711557057.db2.gz ZDKJDHHLONCFJZ-GFCCVEGCSA-N 1 0 222.332 2.213 10 0 BEAERO Cc1cnc(C[NH2+]CC[C@@H]2CCOC2)c(C)c1 ZINC000724097382 711560744 /nfs/dbraw/zinc/56/07/44/711560744.db2.gz HRAJNBRAWWNSLY-CYBMUJFWSA-N 1 0 234.343 2.215 10 0 BEAERO C[C@H]1OC[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)[C@H]1C ZINC000724264666 711573093 /nfs/dbraw/zinc/57/30/93/711573093.db2.gz MISNQLGDKWWWQQ-YGEZULPYSA-N 1 0 241.375 2.203 10 0 BEAERO COCC[NH2+]CCc1cc(C)cc(C)c1 ZINC000053302924 711689054 /nfs/dbraw/zinc/68/90/54/711689054.db2.gz QIIQLGAYVZZGBN-UHFFFAOYSA-N 1 0 207.317 2.082 10 0 BEAERO C[C@H](C[N@@H+]1C[C@@H](C)[C@H](CO)C1)C(C)(C)C ZINC000708688049 711964047 /nfs/dbraw/zinc/96/40/47/711964047.db2.gz ZUJIKKSVXJYHET-UTUOFQBUSA-N 1 0 213.365 2.229 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cncc(OC)c1 ZINC000700010229 711982990 /nfs/dbraw/zinc/98/29/90/711982990.db2.gz CAZXPXMTYCYJPZ-AAEUAGOBSA-N 1 0 220.316 2.368 10 0 BEAERO Cc1cccc([C@@H](O)C[N@@H+]2CC[C@H](F)C2)c1 ZINC000701713951 712027691 /nfs/dbraw/zinc/02/76/91/712027691.db2.gz RKVBDEBMYBPTGT-STQMWFEESA-N 1 0 223.291 2.072 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1nnc(CC)s1 ZINC000702715175 712059705 /nfs/dbraw/zinc/05/97/05/712059705.db2.gz ZOFRUNVWHITGFQ-DTWKUNHWSA-N 1 0 225.361 2.379 10 0 BEAERO CSC1CC([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000708305126 712186627 /nfs/dbraw/zinc/18/66/27/712186627.db2.gz WRKJDFVPAUHZJN-UHFFFAOYSA-N 1 0 239.388 2.448 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000709946029 712234567 /nfs/dbraw/zinc/23/45/67/712234567.db2.gz CZFXSYWUCHRLLF-QWHCGFSZSA-N 1 0 222.376 2.393 10 0 BEAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CCCC1 ZINC000710948606 712267413 /nfs/dbraw/zinc/26/74/13/712267413.db2.gz LEFMPTHQCONEAI-DRZSPHRISA-N 1 0 238.375 2.199 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711007194 712274087 /nfs/dbraw/zinc/27/40/87/712274087.db2.gz FCIHDBDYFLAJBW-RFQIPJPRSA-N 1 0 222.376 2.249 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711413138 712298701 /nfs/dbraw/zinc/29/87/01/712298701.db2.gz ICCPOJVBDFGOLP-VXGBXAGGSA-N 1 0 241.375 2.085 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@@H]2C=CCC2)[C@H]2CCO[C@@H]21 ZINC000711725999 712322341 /nfs/dbraw/zinc/32/23/41/712322341.db2.gz CZNVAYWKQJXDJY-LPWJVIDDSA-N 1 0 221.344 2.356 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000714346292 712483221 /nfs/dbraw/zinc/48/32/21/712483221.db2.gz XRMVKIIMDSTLTR-RYUDHWBXSA-N 1 0 243.391 2.331 10 0 BEAERO C[NH2+]CCc1noc([C@H]2CCCC[C@H]2C)n1 ZINC000714451064 712490031 /nfs/dbraw/zinc/49/00/31/712490031.db2.gz QKHQCAQMYPSKSV-ZJUUUORDSA-N 1 0 223.320 2.125 10 0 BEAERO CCC[C@H]([NH2+][C@@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876589 712538747 /nfs/dbraw/zinc/53/87/47/712538747.db2.gz IDAXMGVXFJVGMK-JQWIXIFHSA-N 1 0 236.363 2.435 10 0 BEAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716686254 712569723 /nfs/dbraw/zinc/56/97/23/712569723.db2.gz WNEHRAXTDMDHKX-WNYYMSAVSA-N 1 0 238.375 2.055 10 0 BEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716686462 712570232 /nfs/dbraw/zinc/57/02/32/712570232.db2.gz YPYYGYXOZNZEDP-TYUFSLCMSA-N 1 0 238.375 2.055 10 0 BEAERO CCC[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CC1(C)C ZINC000716718592 712570762 /nfs/dbraw/zinc/57/07/62/712570762.db2.gz XRWVQSPRMQAVQM-KIDURHIOSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@H](C[C@@H](C)O)[NH2+]CCc1ccccc1 ZINC000716955336 712599886 /nfs/dbraw/zinc/59/98/86/712599886.db2.gz PVHIFNCJOCVOPC-TZMCWYRMSA-N 1 0 221.344 2.368 10 0 BEAERO COC1CC([NH2+][C@H](C)CCC(F)(F)F)C1 ZINC000379915547 712626449 /nfs/dbraw/zinc/62/64/49/712626449.db2.gz BUUKQDHNIUPHSP-AFPNSQJFSA-N 1 0 225.254 2.484 10 0 BEAERO C[C@@H](CCCC[NH3+])Nc1cccc(F)n1 ZINC000380019146 712671292 /nfs/dbraw/zinc/67/12/92/712671292.db2.gz NSUJLQOMHJKIAJ-VIFPVBQESA-N 1 0 211.284 2.150 10 0 BEAERO CC(C)(C)OC[C@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717820107 712681438 /nfs/dbraw/zinc/68/14/38/712681438.db2.gz QUHLQRYBYKQNQC-GFCCVEGCSA-N 1 0 241.375 2.085 10 0 BEAERO CC(=O)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000047979395 712722864 /nfs/dbraw/zinc/72/28/64/712722864.db2.gz NBPONKBKVXODON-UHFFFAOYSA-N 1 0 209.264 2.237 10 0 BEAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000718785573 712783164 /nfs/dbraw/zinc/78/31/64/712783164.db2.gz DGEHINLKZUIZKF-UPJWGTAASA-N 1 0 243.391 2.331 10 0 BEAERO COC[C@H](O)CC[NH2+][C@H]1CCCCCC1(C)C ZINC000719236829 712800796 /nfs/dbraw/zinc/80/07/96/712800796.db2.gz LRLWBEHGRWAEMQ-OLZOCXBDSA-N 1 0 243.391 2.332 10 0 BEAERO Cn1nncc1C[NH2+][C@H]1CCCCCC1(C)C ZINC000719285316 712803526 /nfs/dbraw/zinc/80/35/26/712803526.db2.gz IDVZXIQEWLZUII-LBPRGKRZSA-N 1 0 236.363 2.264 10 0 BEAERO Cn1cnc(C[NH2+][C@@H]2CCCCCC2(C)C)n1 ZINC000719285227 712803563 /nfs/dbraw/zinc/80/35/63/712803563.db2.gz HYYYMFKVKMWVML-LLVKDONJSA-N 1 0 236.363 2.264 10 0 BEAERO Cn1cnnc1C[NH2+][C@H]1CCCCCC1(C)C ZINC000719288018 712803733 /nfs/dbraw/zinc/80/37/33/712803733.db2.gz PMQQPDVPHCLSDN-NSHDSACASA-N 1 0 236.363 2.264 10 0 BEAERO Cc1c(C[NH2+]CC2(C)CC(F)(F)C2)cnn1C ZINC000720929806 712879334 /nfs/dbraw/zinc/87/93/34/712879334.db2.gz ZIFSCLLPGKDDGC-UHFFFAOYSA-N 1 0 243.301 2.254 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ncc(Cl)cc1Cl ZINC000721897421 710688654 /nfs/dbraw/zinc/68/86/54/710688654.db2.gz KCZCHESUKCWBHA-HZGVNTEJSA-N 1 0 246.141 2.408 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000723801418 710732818 /nfs/dbraw/zinc/73/28/18/710732818.db2.gz KOMMKIJDSLJLEL-PWSUYJOCSA-N 1 0 248.374 2.176 10 0 BEAERO Cc1cnc(CN[C@H]2C[C@H]([NH3+])C23CCC3)c(C)c1 ZINC000724071867 710736422 /nfs/dbraw/zinc/73/64/22/710736422.db2.gz FBPYDDUBKYUGII-KBPBESRZSA-N 1 0 245.370 2.058 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCC(=O)N1)C(C)C ZINC000380727367 712902915 /nfs/dbraw/zinc/90/29/15/712902915.db2.gz POYYWLLGPFSFBK-SRVKXCTJSA-N 1 0 226.364 2.068 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1Nc1nccc2occc21 ZINC000721981028 710696093 /nfs/dbraw/zinc/69/60/93/710696093.db2.gz FPUNVGFSELDZSR-LLVKDONJSA-N 1 0 231.299 2.238 10 0 BEAERO C=C/C=C\CC[N@H+]1CCC[C@@H]1CCCO ZINC000713755523 711455097 /nfs/dbraw/zinc/45/50/97/711455097.db2.gz NSNBLPSNLDPPSV-DHCBQETCSA-N 1 0 209.333 2.356 10 0 BEAERO CC[C@H](C)c1noc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000711076049 711455799 /nfs/dbraw/zinc/45/57/99/711455799.db2.gz VGOJNUTXBYLCLC-DTWKUNHWSA-N 1 0 223.320 2.296 10 0 BEAERO [NH3+]CC12CCC(CC1)N2c1ccc(Cl)cn1 ZINC000722987847 711494114 /nfs/dbraw/zinc/49/41/14/711494114.db2.gz WGFBKQXVRNKJMH-UHFFFAOYSA-N 1 0 237.734 2.195 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000296362389 711507903 /nfs/dbraw/zinc/50/79/03/711507903.db2.gz SDNKOESZKPFRRE-KYOSRNDESA-N 1 0 231.339 2.172 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000308282191 711520426 /nfs/dbraw/zinc/52/04/26/711520426.db2.gz XJYNBDJRXSTUFI-RNFRBKRXSA-N 1 0 219.737 2.260 10 0 BEAERO Cc1cc(C)nc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000723842907 711538650 /nfs/dbraw/zinc/53/86/50/711538650.db2.gz UNIWCCWBCOTCHW-JSGCOSHPSA-N 1 0 234.343 2.044 10 0 BEAERO [NH3+]CCCCCCNc1ncncc1Cl ZINC000236171114 711672616 /nfs/dbraw/zinc/67/26/16/711672616.db2.gz GUXJORFLWCVWTE-UHFFFAOYSA-N 1 0 228.727 2.061 10 0 BEAERO CCCn1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000722374273 711751714 /nfs/dbraw/zinc/75/17/14/711751714.db2.gz HTVCYUSBELEGMH-NWDGAFQWSA-N 1 0 236.363 2.093 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1Nc1ncnc2sccc21 ZINC000721858730 711791730 /nfs/dbraw/zinc/79/17/30/711791730.db2.gz FLDJWOCSYWBPPI-VIFPVBQESA-N 1 0 248.355 2.101 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(Cl)nn2)C1 ZINC000042359016 711804704 /nfs/dbraw/zinc/80/47/04/711804704.db2.gz YGEDSKOQKBLOPS-SECBINFHSA-N 1 0 240.738 2.026 10 0 BEAERO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000380114273 711817118 /nfs/dbraw/zinc/81/71/18/711817118.db2.gz PACVLTUNAGFFCQ-TUAOUCFPSA-N 1 0 213.365 2.418 10 0 BEAERO CC[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000128937940 711943649 /nfs/dbraw/zinc/94/36/49/711943649.db2.gz JGQICMOBSYYPSJ-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO CSC1CC([NH2+]Cc2nccn2C(C)C)C1 ZINC000708309044 711955839 /nfs/dbraw/zinc/95/58/39/711955839.db2.gz ACVQVOJTIHWDLY-UHFFFAOYSA-N 1 0 239.388 2.448 10 0 BEAERO CCCc1nccnc1NCCCCCC[NH3+] ZINC000700221633 711988241 /nfs/dbraw/zinc/98/82/41/711988241.db2.gz FETFNZGSPGVLAD-UHFFFAOYSA-N 1 0 236.363 2.360 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700466622 711993420 /nfs/dbraw/zinc/99/34/20/711993420.db2.gz CDZFBGOHIWUELZ-GHMZBOCLSA-N 1 0 235.331 2.159 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+]C2(CC(C)C)CC2)n1 ZINC000700474375 711994268 /nfs/dbraw/zinc/99/42/68/711994268.db2.gz YRLBEHRDRQMCBN-UHFFFAOYSA-N 1 0 235.331 2.159 10 0 BEAERO C(C[C@H]1CCC[NH2+]1)c1nc([C@@H]2CC23CC3)no1 ZINC000700538749 711996508 /nfs/dbraw/zinc/99/65/08/711996508.db2.gz AWTVGAPOVFYPQQ-ZJUUUORDSA-N 1 0 233.315 2.022 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1c1nc([C@H]2CC23CC3)no1 ZINC000700542616 711996846 /nfs/dbraw/zinc/99/68/46/711996846.db2.gz XFKXRKFILJQBQE-IVZWLZJFSA-N 1 0 233.315 2.322 10 0 BEAERO C[C@@H](Oc1ccccc1)c1nc([C@@H](C)C[NH3+])no1 ZINC000700674958 712001831 /nfs/dbraw/zinc/00/18/31/712001831.db2.gz HTDRLFFTHXXNBT-VHSXEESVSA-N 1 0 247.298 2.272 10 0 BEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCOC1CCCCC1 ZINC000701326274 712020729 /nfs/dbraw/zinc/02/07/29/712020729.db2.gz IHINMYYAFGKWQD-JSGCOSHPSA-N 1 0 241.375 2.181 10 0 BEAERO CC[C@H](C[NH2+]C(C)(C)CO)CC(F)F ZINC000701468249 712024254 /nfs/dbraw/zinc/02/42/54/712024254.db2.gz PRQMNHNJFFJKHU-QMMMGPOBSA-N 1 0 209.280 2.028 10 0 BEAERO CC[C@@H](C)c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701679453 712027110 /nfs/dbraw/zinc/02/71/10/712027110.db2.gz DZASHLMHNYIBSP-NRUUGDAUSA-N 1 0 235.331 2.224 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+]C2CC(SC)C2)CO1 ZINC000706954805 712162981 /nfs/dbraw/zinc/16/29/81/712162981.db2.gz FOWQUJKIYJQRTF-LIZLNQBYSA-N 1 0 215.362 2.038 10 0 BEAERO COCCC[C@H](C)[NH2+]C1CC(SC)C1 ZINC000708266551 712184903 /nfs/dbraw/zinc/18/49/03/712184903.db2.gz RWXKQRLHLRBHBQ-WHXUTIOJSA-N 1 0 217.378 2.285 10 0 BEAERO CSC1CC([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000708280145 712185386 /nfs/dbraw/zinc/18/53/86/712185386.db2.gz BRVCHXUZPHDDLZ-AMUVOQDHSA-N 1 0 237.372 2.271 10 0 BEAERO C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@H]1CO ZINC000708686697 712197068 /nfs/dbraw/zinc/19/70/68/712197068.db2.gz LHURRHCNNMNHQG-NEPJUHHUSA-N 1 0 225.376 2.373 10 0 BEAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000708711094 712197588 /nfs/dbraw/zinc/19/75/88/712197588.db2.gz FUVONPOWVHURRM-UHIISALHSA-N 1 0 247.338 2.394 10 0 BEAERO CCCCCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708942242 712203131 /nfs/dbraw/zinc/20/31/31/712203131.db2.gz BMLCGBXDVQGCGU-CHWSQXEVSA-N 1 0 228.380 2.005 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708975154 712204199 /nfs/dbraw/zinc/20/41/99/712204199.db2.gz MGYJVMCYDKQNDS-ZJUUUORDSA-N 1 0 239.281 2.422 10 0 BEAERO C[C@H]([NH2+]CC(C)(C)O)[C@]12C[C@H]1CCCC2 ZINC000709074665 712207434 /nfs/dbraw/zinc/20/74/34/712207434.db2.gz DCYAYRSRPIKWOC-LOWVWBTDSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@@H]1C)CC(C)(C)C ZINC000709082911 712208280 /nfs/dbraw/zinc/20/82/80/712208280.db2.gz PJHOMUXDJRKBBA-QJPTWQEYSA-N 1 0 240.391 2.315 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000709946025 712234322 /nfs/dbraw/zinc/23/43/22/712234322.db2.gz CZFXSYWUCHRLLF-CHWSQXEVSA-N 1 0 222.376 2.393 10 0 BEAERO C[C@@H](Cn1cc(C(C)(C)[NH3+])nn1)C(C)(C)C ZINC000710825168 712257517 /nfs/dbraw/zinc/25/75/17/712257517.db2.gz CESSBUWCUDHXQA-VIFPVBQESA-N 1 0 224.352 2.154 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000711089122 712279723 /nfs/dbraw/zinc/27/97/23/712279723.db2.gz FJKUFVQZURXZDG-RKDXNWHRSA-N 1 0 235.331 2.296 10 0 BEAERO CCC[NH2+]CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000711405246 712298030 /nfs/dbraw/zinc/29/80/30/712298030.db2.gz OTHOQHOZCQLVOM-UHFFFAOYSA-N 1 0 242.363 2.289 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CCOC2CC2)o1 ZINC000711734423 712321087 /nfs/dbraw/zinc/32/10/87/712321087.db2.gz WCUSHZLXFKIDBY-SNVBAGLBSA-N 1 0 209.289 2.418 10 0 BEAERO C[C@@H](CN1C[C@@H](F)C[C@H]1C[NH3+])C(C)(C)C ZINC000378719080 712358056 /nfs/dbraw/zinc/35/80/56/712358056.db2.gz DUZSXMMTJBXQKJ-DCAQKATOSA-N 1 0 216.344 2.040 10 0 BEAERO C=C/C=C\CC[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000713646095 712468410 /nfs/dbraw/zinc/46/84/10/712468410.db2.gz PKOQNRGYTSDYKS-ZFDPJTLLSA-N 1 0 207.317 2.420 10 0 BEAERO C=C/C=C\CC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000713746314 712470995 /nfs/dbraw/zinc/47/09/95/712470995.db2.gz MOAPLIBOXJKBJQ-RXNFCKPNSA-N 1 0 223.316 2.146 10 0 BEAERO COCC1CC([NH2+]Cc2cccc3c2OCC3)C1 ZINC000713984671 712476084 /nfs/dbraw/zinc/47/60/84/712476084.db2.gz LVMZGSMAEIIQKC-UHFFFAOYSA-N 1 0 247.338 2.136 10 0 BEAERO COCC1CC([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000713995276 712477045 /nfs/dbraw/zinc/47/70/45/712477045.db2.gz GEVZEFCALMMACR-KGPNIALWSA-N 1 0 211.349 2.436 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2nccs2)C1 ZINC000714005455 712477145 /nfs/dbraw/zinc/47/71/45/712477145.db2.gz BIVPWBILWXVFNN-XNWIYYODSA-N 1 0 226.345 2.219 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000714346290 712483173 /nfs/dbraw/zinc/48/31/73/712483173.db2.gz XRMVKIIMDSTLTR-NWDGAFQWSA-N 1 0 243.391 2.331 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2ccc3ccccc3n2)C1 ZINC000715082857 712507184 /nfs/dbraw/zinc/50/71/84/712507184.db2.gz SHAFYNWCQNRORK-UMSPYCQHSA-N 1 0 227.311 2.384 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2ccc(C(F)(F)F)cn2)C1 ZINC000715085328 712507638 /nfs/dbraw/zinc/50/76/38/712507638.db2.gz IJRWEZZQSJBIMU-OTSSQURYSA-N 1 0 245.248 2.250 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2ncccc2C(F)(F)F)C1 ZINC000715096729 712508450 /nfs/dbraw/zinc/50/84/50/712508450.db2.gz MNCXYXIPBGCRPW-ZKCHVHJHSA-N 1 0 245.248 2.250 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000715117430 712510460 /nfs/dbraw/zinc/51/04/60/712510460.db2.gz UQTCSOVABQLTGZ-ZLKJLUDKSA-N 1 0 246.354 2.021 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C[NH3+])c(C)c1 ZINC000715139630 712511381 /nfs/dbraw/zinc/51/13/81/712511381.db2.gz NGKXQHVCZJYTKP-OUCADQQQSA-N 1 0 246.354 2.075 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2nc3ccccc3s2)C1 ZINC000715151712 712512823 /nfs/dbraw/zinc/51/28/23/712512823.db2.gz HEZJPBLGANTKID-DTORHVGOSA-N 1 0 233.340 2.446 10 0 BEAERO CCCc1noc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000036915763 712515376 /nfs/dbraw/zinc/51/53/76/712515376.db2.gz TXZQEOINEVFRBE-LLVKDONJSA-N 1 0 231.299 2.265 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC000715816261 712533387 /nfs/dbraw/zinc/53/33/87/712533387.db2.gz XPXOABUGSYENSO-JQWIXIFHSA-N 1 0 240.734 2.128 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@H]1CCCS1 ZINC000715832351 712534068 /nfs/dbraw/zinc/53/40/68/712534068.db2.gz KRUXGWZWGICXBJ-GHMZBOCLSA-N 1 0 231.405 2.269 10 0 BEAERO CCC[C@H]([NH2+][C@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876594 712538300 /nfs/dbraw/zinc/53/83/00/712538300.db2.gz IDAXMGVXFJVGMK-PWSUYJOCSA-N 1 0 236.363 2.435 10 0 BEAERO COC1CC(C[NH2+][C@H](C)c2ccns2)C1 ZINC000715899572 712541292 /nfs/dbraw/zinc/54/12/92/712541292.db2.gz NJWCKMWFJKERLY-XNWIYYODSA-N 1 0 226.345 2.219 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CC1)c1cn(C)nn1 ZINC000715928798 712543586 /nfs/dbraw/zinc/54/35/86/712543586.db2.gz QGHLYWDGKBRPNX-CYZMBNFOSA-N 1 0 248.374 2.435 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CC1)c1cn(C)nn1 ZINC000715928801 712543695 /nfs/dbraw/zinc/54/36/95/712543695.db2.gz QGHLYWDGKBRPNX-WCFLWFBJSA-N 1 0 248.374 2.435 10 0 BEAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000037142627 712551813 /nfs/dbraw/zinc/55/18/13/712551813.db2.gz ATRGTQHXGBEUKY-GFCCVEGCSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCCC1CC1 ZINC000716398896 712558074 /nfs/dbraw/zinc/55/80/74/712558074.db2.gz QOOWMWPMBXTDRZ-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO [NH3+]Cc1cccc(C(=O)NCC2CCCCC2)c1 ZINC000037259213 712560822 /nfs/dbraw/zinc/56/08/22/712560822.db2.gz YGETXJYFTONPSA-UHFFFAOYSA-N 1 0 246.354 2.455 10 0 BEAERO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000716574557 712564095 /nfs/dbraw/zinc/56/40/95/712564095.db2.gz CBKCDTZUQLFBKV-UYYXNEDZSA-N 1 0 223.360 2.172 10 0 BEAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000716578455 712564263 /nfs/dbraw/zinc/56/42/63/712564263.db2.gz BCOALLHEUDVRRG-LBELIVKGSA-N 1 0 225.376 2.275 10 0 BEAERO CC[C@H]1CCCC[C@H]1C[NH2+]C1CC(C(N)=O)C1 ZINC000716706083 712570281 /nfs/dbraw/zinc/57/02/81/712570281.db2.gz LXCALYLYUZFSMA-ZSVAQUKISA-N 1 0 238.375 2.056 10 0 BEAERO CCC[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CC1(C)C ZINC000716718594 712570961 /nfs/dbraw/zinc/57/09/61/712570961.db2.gz XRWVQSPRMQAVQM-MMVSWEMESA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@H](C[C@@H](C)CC)[NH2+]C1CC(C(N)=O)C1 ZINC000716770224 712572769 /nfs/dbraw/zinc/57/27/69/712572769.db2.gz NSZCAGVNWAQDSZ-UZEXVOJHSA-N 1 0 226.364 2.055 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717050615 712625543 /nfs/dbraw/zinc/62/55/43/712625543.db2.gz OCGYRZIQXKVPDM-QSLWVIQJSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC000717531038 712660515 /nfs/dbraw/zinc/66/05/15/712660515.db2.gz XDTOANWIJOUUFX-IJLUTSLNSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H](C[NH2+][C@H](CO)C1CCC1)C(C)(C)C ZINC000717612687 712662569 /nfs/dbraw/zinc/66/25/69/712662569.db2.gz JEZZBFFDUVYCBF-CMPLNLGQSA-N 1 0 213.365 2.419 10 0 BEAERO CC(C)(C)OC[C@@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000717820108 712681474 /nfs/dbraw/zinc/68/14/74/712681474.db2.gz QUHLQRYBYKQNQC-LBPRGKRZSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1coc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000718053209 712739426 /nfs/dbraw/zinc/73/94/26/712739426.db2.gz PBDDSBIBGBARPD-NSHDSACASA-N 1 0 211.305 2.085 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C1CCC=CCC1 ZINC000718068497 712741044 /nfs/dbraw/zinc/74/10/44/712741044.db2.gz SZTCOGDMOCERMO-AWEZNQCLSA-N 1 0 241.375 2.252 10 0 BEAERO Cc1coc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000718147193 712748709 /nfs/dbraw/zinc/74/87/09/712748709.db2.gz WIJUNRVXLJWZGO-ZYHUDNBSSA-N 1 0 209.289 2.245 10 0 BEAERO COCC(C)(C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000718727893 712779187 /nfs/dbraw/zinc/77/91/87/712779187.db2.gz QFODNHCPFQAXKJ-NSHDSACASA-N 1 0 231.380 2.046 10 0 BEAERO Cl/C=C/CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917816 712787142 /nfs/dbraw/zinc/78/71/42/712787142.db2.gz PBJVENMRFVYUCE-CXILLOQGSA-N 1 0 228.767 2.203 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccnc2ncccc12 ZINC000718928239 712790015 /nfs/dbraw/zinc/79/00/15/712790015.db2.gz BXEVLQULFMXJFE-JQWIXIFHSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@H]1CC[C@H](Nc2ccnc3ncccc23)C[NH2+]1 ZINC000718989405 712792176 /nfs/dbraw/zinc/79/21/76/712792176.db2.gz MEKBLRIUOYVMSC-QWRGUYRKSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccnc2ncccc12 ZINC000718989835 712793004 /nfs/dbraw/zinc/79/30/04/712793004.db2.gz PQVHSUFJVMUMEF-NXEZZACHSA-N 1 0 230.315 2.168 10 0 BEAERO Cc1ncc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000037991371 712796049 /nfs/dbraw/zinc/79/60/49/712796049.db2.gz UKHIXVMMSJZIBM-JTQLQIEISA-N 1 0 226.345 2.110 10 0 BEAERO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719222598 712800610 /nfs/dbraw/zinc/80/06/10/712800610.db2.gz CKOZMMKOERVBDW-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nocc1C ZINC000720365999 712835993 /nfs/dbraw/zinc/83/59/93/712835993.db2.gz GJYVBCXZDQNBAS-QWHCGFSZSA-N 1 0 249.358 2.042 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nocc1C ZINC000720366002 712836024 /nfs/dbraw/zinc/83/60/24/712836024.db2.gz GJYVBCXZDQNBAS-STQMWFEESA-N 1 0 249.358 2.042 10 0 BEAERO CC[C@H](C[NH2+][C@@H](C)c1cn(C)nn1)CC(F)F ZINC000720522812 712848955 /nfs/dbraw/zinc/84/89/55/712848955.db2.gz GPFGGWGYHOQCMJ-IUCAKERBSA-N 1 0 246.305 2.147 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000720603418 712858049 /nfs/dbraw/zinc/85/80/49/712858049.db2.gz QFTNRKITQYKWRX-UHTWSYAYSA-N 1 0 248.374 2.458 10 0 BEAERO C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1cn(C)nn1 ZINC000720607908 712858448 /nfs/dbraw/zinc/85/84/48/712858448.db2.gz WZQZPTNRQPYLMS-WISYIIOYSA-N 1 0 234.347 2.044 10 0 BEAERO CC1CC(c2nc(CC3CC[NH2+]CC3)no2)C1 ZINC000720825590 712868436 /nfs/dbraw/zinc/86/84/36/712868436.db2.gz XIIQDKDHDKRYNQ-UHFFFAOYSA-N 1 0 235.331 2.125 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000721166862 712894080 /nfs/dbraw/zinc/89/40/80/712894080.db2.gz KIEGLSIPOXNAQY-RVMXOQNASA-N 1 0 227.348 2.101 10 0 BEAERO FCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000126298148 1166127519 /nfs/dbraw/zinc/12/75/19/1166127519.db2.gz YCDJQWPJKVDDMT-UHFFFAOYSA-N 1 0 203.207 2.414 10 0 BEAERO CC(C)C[NH2+]CCOc1ccc(Cl)cn1 ZINC000121843114 1166466695 /nfs/dbraw/zinc/46/66/95/1166466695.db2.gz IHEVYTXFHILXKG-UHFFFAOYSA-N 1 0 228.723 2.359 10 0 BEAERO CCC[N@H+](CCO)CCCC(F)(F)F ZINC000124172764 1166906377 /nfs/dbraw/zinc/90/63/77/1166906377.db2.gz UJHZCPMWAQQLNZ-UHFFFAOYSA-N 1 0 213.243 2.033 10 0 BEAERO COCCC[NH2+]Cc1ncc(C(C)C)s1 ZINC000134839719 1167702606 /nfs/dbraw/zinc/70/26/06/1167702606.db2.gz MMMHNWWZPCDOHN-UHFFFAOYSA-N 1 0 228.361 2.393 10 0 BEAERO Cc1ccc(C[NH2+]CCC2(C)OCCO2)s1 ZINC000135002282 1168256076 /nfs/dbraw/zinc/25/60/76/1168256076.db2.gz ZPSYROFPTCPQTI-UHFFFAOYSA-N 1 0 241.356 2.299 10 0 BEAERO CCc1ccccc1C[NH2+][C@@H](CC)CCO ZINC000217713958 1168600348 /nfs/dbraw/zinc/60/03/48/1168600348.db2.gz DLWVQKYVACMOGI-AWEZNQCLSA-N 1 0 221.344 2.500 10 0 BEAERO CCC([NH3+])(CC)CNC(=O)CSC(C)(C)C ZINC000132933902 1168947716 /nfs/dbraw/zinc/94/77/16/1168947716.db2.gz NPKDXRHRGZMYGF-UHFFFAOYSA-N 1 0 246.420 2.152 10 0 BEAERO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000055086175 1169141936 /nfs/dbraw/zinc/14/19/36/1169141936.db2.gz IVYSLXAEOJKRAH-QWHCGFSZSA-N 1 0 238.375 2.295 10 0 BEAERO CC[C@](O)(C[NH2+]Cc1ccccc1)C(F)(F)F ZINC000201159999 970187944 /nfs/dbraw/zinc/18/79/44/970187944.db2.gz GAKTUBAEGMHVMW-NSHDSACASA-N 1 0 247.260 2.480 10 0 BEAERO Cc1ccccc1[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044117183 985240582 /nfs/dbraw/zinc/24/05/82/985240582.db2.gz AMXSWCZPXBVVIO-GUTXKFCHSA-N 1 0 249.354 2.138 10 0 BEAERO O[C@H](C[NH2+]CCc1ccc(F)cc1)c1ccco1 ZINC000037862828 1170984812 /nfs/dbraw/zinc/98/48/12/1170984812.db2.gz WLNPEOBCYATEQT-CYBMUJFWSA-N 1 0 249.285 2.284 10 0 BEAERO Cc1nc(CNC[C@H]2CCCC[N@H+]2C)cs1 ZINC000044561362 1171394860 /nfs/dbraw/zinc/39/48/60/1171394860.db2.gz IRAIUQHLDJMFEU-GFCCVEGCSA-N 1 0 239.388 2.025 10 0 BEAERO Cc1cc(N[C@@H]2C[C@H]2c2ccccc2)nc(N)[nH+]1 ZINC000049056107 1171672980 /nfs/dbraw/zinc/67/29/80/1171672980.db2.gz ZDWMRUYCYUDNLZ-NWDGAFQWSA-N 1 0 240.310 2.335 10 0 BEAERO CC[N@@H+]1CCC(=O)[C@]12C[C@H](C)CC[C@H]2C ZINC000685955093 538899781 /nfs/dbraw/zinc/89/97/81/538899781.db2.gz SUYQGVMPHXQSPK-NQBHXWOUSA-N 1 0 209.333 2.476 10 0 BEAERO CCCCOCC(F)(F)CNC(C)C ZINC000685956005 538901855 /nfs/dbraw/zinc/90/18/55/538901855.db2.gz IGRWCAQKXQCGMF-UHFFFAOYSA-N 1 0 209.280 2.436 10 0 BEAERO CCNCC(F)(F)COCCC1CC1 ZINC000685957052 538903341 /nfs/dbraw/zinc/90/33/41/538903341.db2.gz LBAXJIBXXVSYKU-UHFFFAOYSA-N 1 0 207.264 2.048 10 0 BEAERO CCCCCOCC(F)(F)CNCC ZINC000685957049 538903869 /nfs/dbraw/zinc/90/38/69/538903869.db2.gz KXFHEYLBQAUSBP-UHFFFAOYSA-N 1 0 209.280 2.438 10 0 BEAERO CC[C@@]1(C(=O)OC(C)(C)C)CCC[C@@H]1[NH3+] ZINC000685958641 538905964 /nfs/dbraw/zinc/90/59/64/538905964.db2.gz BZGSIAAHBVWINA-JOYOIKCWSA-N 1 0 213.321 2.236 10 0 BEAERO CCC(C)(CC)[NH2+]Cc1cn(C)nc1C ZINC000126241281 168311426 /nfs/dbraw/zinc/31/14/26/168311426.db2.gz MQSRTHZJCDSUFB-UHFFFAOYSA-N 1 0 209.337 2.397 10 0 BEAERO CC(C)C(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685961084 538908147 /nfs/dbraw/zinc/90/81/47/538908147.db2.gz BIABTUZMCIHKNJ-DGCLKSJQSA-N 1 0 235.327 2.144 10 0 BEAERO CC(C)[C@]1(CO)C[C@H]1C[NH+]1CCCCC1 ZINC000685961337 538908156 /nfs/dbraw/zinc/90/81/56/538908156.db2.gz QRKBBUAEFZICFX-QWHCGFSZSA-N 1 0 211.349 2.127 10 0 BEAERO CC(C)C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685961087 538908259 /nfs/dbraw/zinc/90/82/59/538908259.db2.gz BIABTUZMCIHKNJ-WCQYABFASA-N 1 0 235.327 2.144 10 0 BEAERO CC(C)[C@]1(CO)C[C@@H]1C[NH2+]Cc1ccccc1 ZINC000685961819 538908455 /nfs/dbraw/zinc/90/84/55/538908455.db2.gz WQSUJEYFMKDCPZ-HUUCEWRRSA-N 1 0 233.355 2.431 10 0 BEAERO Cc1cc(C)n([C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000037160070 177932768 /nfs/dbraw/zinc/93/27/68/177932768.db2.gz LMSTUBYAGRGANI-RYUDHWBXSA-N 1 0 207.321 2.190 10 0 BEAERO CCC(C)(C)[NH2+]C[C@H]1C[C@]1(CO)C(C)C ZINC000685961903 538909196 /nfs/dbraw/zinc/90/91/96/538909196.db2.gz XJJDKFCPMTWEGI-YPMHNXCESA-N 1 0 213.365 2.419 10 0 BEAERO C[NH2+][C@H](C)C(=O)C[C@H](C)COCc1ccccc1 ZINC000685962437 538909308 /nfs/dbraw/zinc/90/93/08/538909308.db2.gz IBIXXPRIDCGSQH-QWHCGFSZSA-N 1 0 249.354 2.406 10 0 BEAERO OC[C@H](CC[NH2+]C1CCC1)C1CCCC1 ZINC000685962973 538909757 /nfs/dbraw/zinc/90/97/57/538909757.db2.gz CJMKBRRYZODSRR-LBPRGKRZSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@@H](COCc1ccccc1)CC(=O)[C@@H](C)C[NH3+] ZINC000685962543 538909827 /nfs/dbraw/zinc/90/98/27/538909827.db2.gz MIMSHRPLTTWTKA-OLZOCXBDSA-N 1 0 249.354 2.393 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@H]1CCCC[C@@H]1C ZINC000685963230 538910125 /nfs/dbraw/zinc/91/01/25/538910125.db2.gz JXSWPDBAUAHPMJ-XQQFMLRXSA-N 1 0 213.365 2.421 10 0 BEAERO Brc1ccn(-c2cc[nH+]cc2)n1 ZINC000307361939 398138446 /nfs/dbraw/zinc/13/84/46/398138446.db2.gz FSHYWTOUKOZDEI-UHFFFAOYSA-N 1 0 224.061 2.030 10 0 BEAERO Cc1cc(C)nc(NC2(C[NH3+])CCCCC2)n1 ZINC000104320832 177942671 /nfs/dbraw/zinc/94/26/71/177942671.db2.gz HSPDCBHNPQUOGE-UHFFFAOYSA-N 1 0 234.347 2.167 10 0 BEAERO Cc1ccc(Cn2cnc(N)c2)cc1C ZINC000685964156 538911116 /nfs/dbraw/zinc/91/11/16/538911116.db2.gz CDZBMSBEKDFLNO-UHFFFAOYSA-N 1 0 201.273 2.130 10 0 BEAERO C=C(OCC)c1cc2c(c(C[NH3+])c1)OCC2 ZINC000685965068 538911345 /nfs/dbraw/zinc/91/13/45/538911345.db2.gz NGXPOWMPRYQUBG-UHFFFAOYSA-N 1 0 219.284 2.087 10 0 BEAERO Cc1cc(C)nc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000051870927 177947072 /nfs/dbraw/zinc/94/70/72/177947072.db2.gz VOHRICQFWRIMEJ-LBPRGKRZSA-N 1 0 235.331 2.004 10 0 BEAERO Cc1cc(CC[NH3+])ccc1Sc1ncccn1 ZINC000104298884 177962323 /nfs/dbraw/zinc/96/23/23/177962323.db2.gz SWQREGOCOYWTBH-UHFFFAOYSA-N 1 0 245.351 2.437 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](C(C)C)C1 ZINC000135428659 168322068 /nfs/dbraw/zinc/32/20/68/168322068.db2.gz JJYNVBWDAYWUNY-LBPRGKRZSA-N 1 0 240.391 2.256 10 0 BEAERO CCC(CC)(C[NH3+])N(C)CCc1ccccn1 ZINC000019844019 168322515 /nfs/dbraw/zinc/32/25/15/168322515.db2.gz XVLOENNCTWWLHL-UHFFFAOYSA-N 1 0 235.375 2.073 10 0 BEAERO CCC(CC)(C[NH3+])c1ccc2c(c1)OCCO2 ZINC000037934541 168324715 /nfs/dbraw/zinc/32/47/15/168324715.db2.gz RNOHDHRGFAQYMP-UHFFFAOYSA-N 1 0 235.327 2.474 10 0 BEAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378702420 346811549 /nfs/dbraw/zinc/81/15/49/346811549.db2.gz OBDLGMSZQUDFGI-GCHJQGSQSA-N 1 0 209.333 2.046 10 0 BEAERO C[NH2+]C[C@@H](F)Cc1ccc(Cl)cc1 ZINC000257875006 349487395 /nfs/dbraw/zinc/48/73/95/349487395.db2.gz RAEMJKNUGSFVDC-JTQLQIEISA-N 1 0 201.672 2.440 10 0 BEAERO C[NH2+]C[C@@H](F)Cc1cccc(Cl)c1 ZINC000257893997 349487485 /nfs/dbraw/zinc/48/74/85/349487485.db2.gz UXDHQMXBQJUAQN-JTQLQIEISA-N 1 0 201.672 2.440 10 0 BEAERO CCC(CC)(CO)C[N@H+](C)C[C@H]1CCCOC1 ZINC000104188346 168326694 /nfs/dbraw/zinc/32/66/94/168326694.db2.gz ZCLVWAARIYUSBU-CYBMUJFWSA-N 1 0 243.391 2.144 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@@H](c3cncnc3)C2)cc1 ZINC000616612224 349478563 /nfs/dbraw/zinc/47/85/63/349478563.db2.gz XYTXXGCOOCAEET-CQSZACIVSA-N 1 0 239.322 2.466 10 0 BEAERO Cc1ccccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000161588848 349481368 /nfs/dbraw/zinc/48/13/68/349481368.db2.gz RYQAEDHUUYXEIP-CYBMUJFWSA-N 1 0 219.328 2.199 10 0 BEAERO Cc1cc(C[N@@H+]2CC[C@H](CCO)C2)cs1 ZINC000336663628 178004008 /nfs/dbraw/zinc/00/40/08/178004008.db2.gz CQFCJMHPUJYBEK-LLVKDONJSA-N 1 0 225.357 2.261 10 0 BEAERO Cc1cc(C[NH2+]C(C)C)nc(C2CC2)n1 ZINC000054831634 178016535 /nfs/dbraw/zinc/01/65/35/178016535.db2.gz MDDOXBLGICMQGJ-UHFFFAOYSA-N 1 0 205.305 2.160 10 0 BEAERO Cc1cc(C[NH2+]C(C)C)nc(CC(F)(F)F)n1 ZINC000054831740 178016825 /nfs/dbraw/zinc/01/68/25/178016825.db2.gz KTPXTYJGZXFNBV-UHFFFAOYSA-N 1 0 247.264 2.388 10 0 BEAERO O[C@H](c1ccsc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000306307960 398157020 /nfs/dbraw/zinc/15/70/20/398157020.db2.gz KGRCFBBSNNGYRP-APPZFPTMSA-N 1 0 231.748 2.435 10 0 BEAERO Cc1cc(C[NH2+]C2CCC(O)CC2)cc(C)c1O ZINC000020305199 178018123 /nfs/dbraw/zinc/01/81/23/178018123.db2.gz IQTSYZHCYPAFAW-UHFFFAOYSA-N 1 0 249.354 2.402 10 0 BEAERO Cc1cc(C[NH2+]C2(CO)CCCC2)c(C)n1C ZINC000053045696 178018497 /nfs/dbraw/zinc/01/84/97/178018497.db2.gz LZQHXPPOKBTUHC-UHFFFAOYSA-N 1 0 236.359 2.037 10 0 BEAERO Cc1cc(C[NH2+]C2CCOCC2)cc(C)c1O ZINC000036319533 178018947 /nfs/dbraw/zinc/01/89/47/178018947.db2.gz MFDXDQDXCIRQJU-UHFFFAOYSA-N 1 0 235.327 2.278 10 0 BEAERO Cc1cc(C[NH2+]C2CC2)nc(C(C)C)n1 ZINC000054831879 178019338 /nfs/dbraw/zinc/01/93/38/178019338.db2.gz JVIIZTAORVRTET-UHFFFAOYSA-N 1 0 205.305 2.160 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCO[C@@H]2C)cc(C)c1O ZINC000149380410 178039721 /nfs/dbraw/zinc/03/97/21/178039721.db2.gz UYJVEEFZIGVAKZ-YPMHNXCESA-N 1 0 235.327 2.276 10 0 BEAERO C[C@H](c1ccsc1)N1CC[C@H]([NH3+])[C@H]1C ZINC000307570166 398176103 /nfs/dbraw/zinc/17/61/03/398176103.db2.gz YYQGSGGXIDHRDJ-KKZNHRDASA-N 1 0 210.346 2.231 10 0 BEAERO C[C@H]1CS[C@@]2(CCCSCC2)[NH2+]1 ZINC000575518007 398180987 /nfs/dbraw/zinc/18/09/87/398180987.db2.gz JAZWLXJGWSFRCI-DTWKUNHWSA-N 1 0 203.376 2.325 10 0 BEAERO Cc1cc(C[C@H](C)[NH3+])c2ccccc2n1 ZINC000063024861 178057210 /nfs/dbraw/zinc/05/72/10/178057210.db2.gz CDUPEBRWXRVDIU-VIFPVBQESA-N 1 0 200.285 2.433 10 0 BEAERO C[C@@H](N(C)C(=O)C1CCC([NH3+])CC1)C1(C)CC1 ZINC000385407387 398160763 /nfs/dbraw/zinc/16/07/63/398160763.db2.gz RJBYMCVFDVSDGD-VOMCLLRMSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1cc(Cl)cc2nc(CC[NH3+])oc21 ZINC000033420194 178064655 /nfs/dbraw/zinc/06/46/55/178064655.db2.gz XJNBDGQGYJHPKI-UHFFFAOYSA-N 1 0 210.664 2.291 10 0 BEAERO Cc1cc(Cl)ccc1OCCO[C@H](C)C[NH3+] ZINC000074528084 178068567 /nfs/dbraw/zinc/06/85/67/178068567.db2.gz MQYPOSXUJWUVFR-SNVBAGLBSA-N 1 0 243.734 2.391 10 0 BEAERO CCC(=[NH2+])N[C@@H](C)CN(C)Cc1ccccc1 ZINC000306737903 398185660 /nfs/dbraw/zinc/18/56/60/398185660.db2.gz ZRSYDHOGLXPYCB-LBPRGKRZSA-N 1 0 233.359 2.484 10 0 BEAERO Cc1cc(N2CCC[C@@H]2C[NH2+]C(C)(C)C)ncn1 ZINC000053695664 178114590 /nfs/dbraw/zinc/11/45/90/178114590.db2.gz BNFXYDKKTKNCSH-GFCCVEGCSA-N 1 0 248.374 2.142 10 0 BEAERO Cc1cc(F)ccc1NC(=O)[C@@](C)([NH3+])C1CC1 ZINC000037614335 178089940 /nfs/dbraw/zinc/08/99/40/178089940.db2.gz FLPIGJGZORMLDW-ZDUSSCGKSA-N 1 0 236.290 2.200 10 0 BEAERO Cc1cc(F)ccc1[C@H](C[NH3+])N(C)C(C)C ZINC000050578156 178092112 /nfs/dbraw/zinc/09/21/12/178092112.db2.gz IUPAXTUJFPGDFW-ZDUSSCGKSA-N 1 0 224.323 2.474 10 0 BEAERO Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)CC1CC1 ZINC000050578702 178092136 /nfs/dbraw/zinc/09/21/36/178092136.db2.gz ROJFYKNEBNVGIS-CQSZACIVSA-N 1 0 236.334 2.476 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H](Cc2cncs2)C1 ZINC000159790501 398193229 /nfs/dbraw/zinc/19/32/29/398193229.db2.gz IPTGPRMGEUVYQT-VHSXEESVSA-N 1 0 210.346 2.464 10 0 BEAERO C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000162544365 538923058 /nfs/dbraw/zinc/92/30/58/538923058.db2.gz QLAHSJVMHVWHHR-IXOXFDKPSA-N 1 0 223.360 2.436 10 0 BEAERO Cc1cc(N)c(Br)cc1C[C@H](C)[NH3+] ZINC000026376476 178102691 /nfs/dbraw/zinc/10/26/91/178102691.db2.gz GVNKSIYABWPHHJ-ZETCQYMHSA-N 1 0 243.148 2.229 10 0 BEAERO Cc1cc(N)ccc1NC(=O)[C@@H](C)[NH+]1CCCC1 ZINC000022153268 178105596 /nfs/dbraw/zinc/10/55/96/178105596.db2.gz KQGKJHKVGKOGJX-LLVKDONJSA-N 1 0 247.342 2.000 10 0 BEAERO Cc1cc(N)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000061642880 178105905 /nfs/dbraw/zinc/10/59/05/178105905.db2.gz KWLABVVLSHXNDI-ZDUSSCGKSA-N 1 0 233.359 2.108 10 0 BEAERO C[C@H](N[C@@H]1CCS[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000386621800 398214191 /nfs/dbraw/zinc/21/41/91/398214191.db2.gz YIDNHYPUVUPKCB-IRCOFANPSA-N 1 0 228.405 2.001 10 0 BEAERO [NH3+]Cc1[nH]nc2cccc(C(F)(F)F)c21 ZINC000075139298 398216846 /nfs/dbraw/zinc/21/68/46/398216846.db2.gz BJXMZZCFPZZURJ-UHFFFAOYSA-N 1 0 215.178 2.040 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638997594 398218881 /nfs/dbraw/zinc/21/88/81/398218881.db2.gz RFKJQJHMLWPINZ-MDZLAQPJSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000638997598 398218997 /nfs/dbraw/zinc/21/89/97/398218997.db2.gz RFKJQJHMLWPINZ-NTZNESFSSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1cc(NC2CC[NH+](C)CC2)ccc1N ZINC000035278286 178154620 /nfs/dbraw/zinc/15/46/20/178154620.db2.gz RNVCRRIBDIHQIM-UHFFFAOYSA-N 1 0 219.332 2.083 10 0 BEAERO Cc1cc(NC[C@@H]2CCC[N@H+]2CC(C)C)ncn1 ZINC000301844423 178166455 /nfs/dbraw/zinc/16/64/55/178166455.db2.gz LPTWUKXKEDFWOU-ZDUSSCGKSA-N 1 0 248.374 2.317 10 0 BEAERO CCCN(CC(F)F)C(=O)C1CCC([NH3+])CC1 ZINC000387057550 398225298 /nfs/dbraw/zinc/22/52/98/398225298.db2.gz OLYHBWZCKPHJRP-UHFFFAOYSA-N 1 0 248.317 2.008 10 0 BEAERO Cc1cc(N[C@@H](C[NH+](C)C)C(C)C)nc(C)n1 ZINC000049218291 178180110 /nfs/dbraw/zinc/18/01/10/178180110.db2.gz REBVMZOVHMSDMZ-LBPRGKRZSA-N 1 0 236.363 2.092 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H]1C ZINC000380085515 488173307 /nfs/dbraw/zinc/17/33/07/488173307.db2.gz LNFIKCVJUDHDMQ-XQHKEYJVSA-N 1 0 211.349 2.125 10 0 BEAERO c1cnc2c(c1)cccc2[C@@H]1CCOCC[NH2+]1 ZINC000616658646 398223279 /nfs/dbraw/zinc/22/32/79/398223279.db2.gz IPTJPAFOZBWATL-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO Cc1cc(Oc2ccc(C[C@H](C)[NH3+])cc2)ncn1 ZINC000011849416 178214539 /nfs/dbraw/zinc/21/45/39/178214539.db2.gz KROCRTNVWDZNAW-JTQLQIEISA-N 1 0 243.310 2.467 10 0 BEAERO Cc1cc(OCCC(N)=[NH2+])ccc1Cl ZINC000019815255 178209961 /nfs/dbraw/zinc/20/99/61/178209961.db2.gz ASIPCYKRTAZMGN-UHFFFAOYSA-N 1 0 212.680 2.353 10 0 BEAERO Cc1cc(OCC[NH+]2CCCC2)ccc1N ZINC000031978475 178210607 /nfs/dbraw/zinc/21/06/07/178210607.db2.gz JDUSDTHONNYTIU-UHFFFAOYSA-N 1 0 220.316 2.052 10 0 BEAERO Cc1cc(OCCO[C@H](C)C[NH3+])ccc1Cl ZINC000074528093 178211086 /nfs/dbraw/zinc/21/10/86/178211086.db2.gz KXPNEDVLPNULFU-SNVBAGLBSA-N 1 0 243.734 2.391 10 0 BEAERO Cc1cc(SCC[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000052311663 178218321 /nfs/dbraw/zinc/21/83/21/178218321.db2.gz OYCQTDKJQLXPIM-NSHDSACASA-N 1 0 239.388 2.210 10 0 BEAERO Cc1c(C[NH2+]C[C@@H](C)CC(F)(F)F)cnn1C ZINC000396969191 262829770 /nfs/dbraw/zinc/82/97/70/262829770.db2.gz YRRLRSLDQBVKMO-QMMMGPOBSA-N 1 0 249.280 2.407 10 0 BEAERO C[C@]1(C[NH2+][C@H]2CCC[C@H](O)C2)CCCS1 ZINC000382205571 361781239 /nfs/dbraw/zinc/78/12/39/361781239.db2.gz KBCDFGAZBCXIQV-SDDRHHMPSA-N 1 0 229.389 2.165 10 0 BEAERO Cc1cc([C@@H](CO)[NH2+]C(C)C)cc(C)c1O ZINC000038115813 178235558 /nfs/dbraw/zinc/23/55/58/178235558.db2.gz XAIDVUNHQZHGGO-GFCCVEGCSA-N 1 0 223.316 2.040 10 0 BEAERO Cc1cc([C@@H](C[NH3+])N(C)C(C)C)ccc1F ZINC000050545836 178235979 /nfs/dbraw/zinc/23/59/79/178235979.db2.gz GXMSSENEPBCPHC-CYBMUJFWSA-N 1 0 224.323 2.474 10 0 BEAERO Cc1cc([C@@H](C[NH3+])N2CCCC2)c(C)s1 ZINC000049687164 178236042 /nfs/dbraw/zinc/23/60/42/178236042.db2.gz CKSBZDPTQAJAJQ-GFCCVEGCSA-N 1 0 224.373 2.461 10 0 BEAERO CC[C@H]([NH2+]Cc1cncn1C)C(C)(C)C ZINC000264250286 398235070 /nfs/dbraw/zinc/23/50/70/398235070.db2.gz AMALVZBVLRRKDX-NSHDSACASA-N 1 0 209.337 2.334 10 0 BEAERO Cc1cc([C@@H](O)C2CC[NH2+]CC2)c(C)s1 ZINC000036906402 178237990 /nfs/dbraw/zinc/23/79/90/178237990.db2.gz BCQXRFXDHKUJGL-LBPRGKRZSA-N 1 0 225.357 2.398 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C2COC2)c(C)s1 ZINC000082488368 178245392 /nfs/dbraw/zinc/24/53/92/178245392.db2.gz DBYPCLCVYWHGNY-QMMMGPOBSA-N 1 0 211.330 2.414 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(C)o1 ZINC000367683832 178250555 /nfs/dbraw/zinc/25/05/55/178250555.db2.gz DTNPNHMQWLRSGQ-NZPIUUIZSA-N 1 0 235.327 2.439 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)no1 ZINC000279555603 178253018 /nfs/dbraw/zinc/25/30/18/178253018.db2.gz JSVSHTWPZAVFRZ-NHCYSSNCSA-N 1 0 224.304 2.201 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@H](C)C(C)C)nn1C ZINC000282176983 178256149 /nfs/dbraw/zinc/25/61/49/178256149.db2.gz MODHEAJYIRLDBN-MNOVXSKESA-N 1 0 209.337 2.424 10 0 BEAERO Cc1cc([C@H](C[NH3+])N(C)C2CC2)ccc1F ZINC000050545969 178261228 /nfs/dbraw/zinc/26/12/28/178261228.db2.gz IYZIEGFCHDLFDA-ZDUSSCGKSA-N 1 0 222.307 2.228 10 0 BEAERO CC(C)=CC(=O)N1CC[C@@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616569631 538938227 /nfs/dbraw/zinc/93/82/27/538938227.db2.gz JEXLNRPEERWNGQ-QWHCGFSZSA-N 1 0 238.375 2.175 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCOC2)c(C)s1 ZINC000048622896 178263322 /nfs/dbraw/zinc/26/33/22/178263322.db2.gz PQQDDLBLZRWPDZ-MWLCHTKSSA-N 1 0 211.330 2.401 10 0 BEAERO Cc1cc2c(cc1C)C[C@]1(C[NH+]=CN1)CC2 ZINC000013743761 178285453 /nfs/dbraw/zinc/28/54/53/178285453.db2.gz QPBUMMRVGCIHPL-AWEZNQCLSA-N 1 0 214.312 2.162 10 0 BEAERO Cc1cc2ncn(CCCC(N)=[NH2+])c2cc1C ZINC000019485242 178305765 /nfs/dbraw/zinc/30/57/65/178305765.db2.gz RVQOEWSMKGFRDP-UHFFFAOYSA-N 1 0 230.315 2.369 10 0 BEAERO Cc1cc2nc(C[C@@H](C)[NH3+])[nH]c2cc1C ZINC000051847960 178302009 /nfs/dbraw/zinc/30/20/09/178302009.db2.gz PWUNFSKTLWUTGA-SECBINFHSA-N 1 0 203.289 2.069 10 0 BEAERO Cc1cc2c(n1C[C@@H]1CCOC1)CCC[C@H]2[NH3+] ZINC000061148227 178292555 /nfs/dbraw/zinc/29/25/55/178292555.db2.gz RBFFWSXXLUZBHJ-WCQYABFASA-N 1 0 234.343 2.169 10 0 BEAERO Cc1cc2c(n1CC[NH+]1CCCC1)CCCC2=O ZINC000054133777 178292775 /nfs/dbraw/zinc/29/27/75/178292775.db2.gz ANHOEQGVQGTHLZ-UHFFFAOYSA-N 1 0 246.354 2.411 10 0 BEAERO CCC(CC)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290899 168367738 /nfs/dbraw/zinc/36/77/38/168367738.db2.gz GTTIOSKLOXMKTO-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO Cc1ccc(-c2c[nH]c([C@H](C)[NH3+])n2)s1 ZINC000036872136 178317836 /nfs/dbraw/zinc/31/78/36/178317836.db2.gz RCAIBIZDCJZOJQ-ZETCQYMHSA-N 1 0 207.302 2.466 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000036789503 168367144 /nfs/dbraw/zinc/36/71/44/168367144.db2.gz DXCPABMNKVSHIZ-JQWIXIFHSA-N 1 0 226.364 2.164 10 0 BEAERO Cc1ccc(-c2nc(C(C)(C)[NH3+])no2)s1 ZINC000041052820 178333457 /nfs/dbraw/zinc/33/34/57/178333457.db2.gz GWUHBYHMBIYLDF-UHFFFAOYSA-N 1 0 223.301 2.300 10 0 BEAERO Cc1ccc(-c2nc(CCC[NH3+])no2)cc1C ZINC000019682272 178334674 /nfs/dbraw/zinc/33/46/74/178334674.db2.gz PILYMSHFCUJSRN-UHFFFAOYSA-N 1 0 231.299 2.245 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055128825 168367960 /nfs/dbraw/zinc/36/79/60/168367960.db2.gz LFKXSNXTLAGKJJ-WXHSDQCUSA-N 1 0 240.391 2.397 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)[NH3+])no2)c(C)c1 ZINC000041052270 178337468 /nfs/dbraw/zinc/33/74/68/178337468.db2.gz MCXDVWAXUFCBNV-VIFPVBQESA-N 1 0 217.272 2.373 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCCO1 ZINC000383100213 398257291 /nfs/dbraw/zinc/25/72/91/398257291.db2.gz NWHXRPQVPCOXDN-XUXIUFHCSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1ccc(-c2nnc(CCC[NH3+])s2)cc1 ZINC000040541856 178339285 /nfs/dbraw/zinc/33/92/85/178339285.db2.gz BLKYVSICYMLDTJ-UHFFFAOYSA-N 1 0 233.340 2.405 10 0 BEAERO CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@@H](O)C1 ZINC000383438730 398257959 /nfs/dbraw/zinc/25/79/59/398257959.db2.gz DEFSANGDOVJMOX-MCIONIFRSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC(C)(C)O1 ZINC000383873674 398258836 /nfs/dbraw/zinc/25/88/36/398258836.db2.gz IERASLWGERUXGX-JHJVBQTASA-N 1 0 241.375 2.037 10 0 BEAERO CCC(CC)N(C)[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053491760 168369415 /nfs/dbraw/zinc/36/94/15/168369415.db2.gz ZRGSDEAEFLPKGQ-JSGCOSHPSA-N 1 0 242.407 2.264 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)[C@@H](C)C[NH2+]1 ZINC000381580609 398264685 /nfs/dbraw/zinc/26/46/85/398264685.db2.gz BNNMUWSWQHFDKU-WOPDTQHZSA-N 1 0 246.345 2.494 10 0 BEAERO Cc1ccc(Br)cc1C[NH3+] ZINC000083256222 178362288 /nfs/dbraw/zinc/36/22/88/178362288.db2.gz NIDNACDTBZSKKP-UHFFFAOYSA-N 1 0 200.079 2.216 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@H]1C ZINC000036281466 398260842 /nfs/dbraw/zinc/26/08/42/398260842.db2.gz AKDIGSWTPFUCMO-JQWIXIFHSA-N 1 0 232.327 2.391 10 0 BEAERO Cc1ccc(C(N)=[NH2+])c(OC[C@H]2CCCCO2)c1 ZINC000051580687 178368288 /nfs/dbraw/zinc/36/82/88/178368288.db2.gz YEXODDUFMQCDTK-LLVKDONJSA-N 1 0 248.326 2.227 10 0 BEAERO CCC(CC)N(CCOC)C(=[NH2+])NC(C)(C)C ZINC000052039792 168374053 /nfs/dbraw/zinc/37/40/53/168374053.db2.gz XHPCEMRKBWWNAA-UHFFFAOYSA-N 1 0 243.395 2.446 10 0 BEAERO Cc1ccc(C(=O)C2CC[NH2+]CC2)s1 ZINC000019420948 178371481 /nfs/dbraw/zinc/37/14/81/178371481.db2.gz QEEBSILBNVQKEE-UHFFFAOYSA-N 1 0 209.314 2.239 10 0 BEAERO Cc1ccc(C(=O)C[NH2+]C2CC2)cc1C ZINC000039105174 178372842 /nfs/dbraw/zinc/37/28/42/178372842.db2.gz XROBSBRZODOXDU-UHFFFAOYSA-N 1 0 203.285 2.238 10 0 BEAERO CN(C[C@@H]1CCCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000381689957 398269596 /nfs/dbraw/zinc/26/95/96/398269596.db2.gz NIWPMTUNWILPLW-WDEREUQCSA-N 1 0 232.318 2.106 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090175112 398270383 /nfs/dbraw/zinc/27/03/83/398270383.db2.gz CKUZDPSZJNLYIS-AAVRWANBSA-N 1 0 222.376 2.391 10 0 BEAERO Cc1ccc(C(=O)NCCCCC[NH3+])cc1C ZINC000074320130 178407176 /nfs/dbraw/zinc/40/71/76/178407176.db2.gz WQWXFBZHCCTWFZ-UHFFFAOYSA-N 1 0 234.343 2.162 10 0 BEAERO C[C@H](C[NH2+][C@@H]1C[C@H]1CO)c1cccc(Cl)c1 ZINC000378800952 346837635 /nfs/dbraw/zinc/83/76/35/346837635.db2.gz UEAOBMAMXQIAHT-SUZMYJTESA-N 1 0 239.746 2.414 10 0 BEAERO CCC(CC)[N@@H+](CCOC)[C@H](CN)[C@H](C)CC ZINC000042614954 168376296 /nfs/dbraw/zinc/37/62/96/168376296.db2.gz XRYLSMVXJGJONX-TZMCWYRMSA-N 1 0 244.423 2.497 10 0 BEAERO CC[N@@H+]1CC[C@H](c2cc3ccccc3nn2)C1 ZINC000616613004 349601659 /nfs/dbraw/zinc/60/16/59/349601659.db2.gz GHOSOJHPFLUAII-LBPRGKRZSA-N 1 0 227.311 2.439 10 0 BEAERO O=C(C[NH+]1CCCCCC1)NC1CCCCC1 ZINC000010150515 342718436 /nfs/dbraw/zinc/71/84/36/342718436.db2.gz QNDGEQSZCHUCPR-UHFFFAOYSA-N 1 0 238.375 2.311 10 0 BEAERO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)c(C)c1 ZINC000189105604 346859279 /nfs/dbraw/zinc/85/92/79/346859279.db2.gz DMNNTTKQPUNLED-CYBMUJFWSA-N 1 0 246.354 2.014 10 0 BEAERO CO[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022375 342693589 /nfs/dbraw/zinc/69/35/89/342693589.db2.gz JYDRVHZVBOYBFQ-GMSGAONNSA-N 1 0 244.132 2.484 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000165542546 361842193 /nfs/dbraw/zinc/84/21/93/361842193.db2.gz QOGFWWANQHJVHJ-UHTWSYAYSA-N 1 0 211.349 2.436 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000037165965 538961723 /nfs/dbraw/zinc/96/17/23/538961723.db2.gz OBOMKWPWORRUKY-VXGBXAGGSA-N 1 0 209.333 2.068 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)cs1 ZINC000037166261 538961767 /nfs/dbraw/zinc/96/17/67/538961767.db2.gz MBNVBLHJGAKLOK-LSJOCFKGSA-N 1 0 240.372 2.406 10 0 BEAERO Nc1[nH+]ccc2c1N=C(c1ccccc1)CN2 ZINC000006096070 398281155 /nfs/dbraw/zinc/28/11/55/398281155.db2.gz PUUKKUPSFCOMKD-UHFFFAOYSA-N 1 0 224.267 2.210 10 0 BEAERO c1cc([C@H]2C[NH2+]C[C@@H](C3CC3)O2)cs1 ZINC000070890782 361865358 /nfs/dbraw/zinc/86/53/58/361865358.db2.gz SGJXJFZFHJVLKO-WDEREUQCSA-N 1 0 209.314 2.188 10 0 BEAERO CCC(CC)NC(=O)[C@H](C)[NH2+]C1CCCC1 ZINC000034938754 168383315 /nfs/dbraw/zinc/38/33/15/168383315.db2.gz YBWSPXNNVKGWSU-JTQLQIEISA-N 1 0 226.364 2.212 10 0 BEAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)CC ZINC000034938612 168383437 /nfs/dbraw/zinc/38/34/37/168383437.db2.gz JDDZJXMGOCZKMU-UWVGGRQHSA-N 1 0 214.353 2.068 10 0 BEAERO [NH3+][C@H]1CCSc2c(F)ccc(F)c21 ZINC000035676379 342754473 /nfs/dbraw/zinc/75/44/73/342754473.db2.gz FKRPWMYLHPHUTB-ZETCQYMHSA-N 1 0 201.241 2.460 10 0 BEAERO CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2C[NH2+]1 ZINC000004977591 342755356 /nfs/dbraw/zinc/75/53/56/342755356.db2.gz UPZBXVBPICTBDP-IJLUTSLNSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@H]([NH3+])C(=O)c1ccc(Cl)cc1F ZINC000226542745 342773039 /nfs/dbraw/zinc/77/30/39/342773039.db2.gz WKPRHJMJEGJGNF-SECBINFHSA-N 1 0 215.655 2.399 10 0 BEAERO CCC(CC)[NH2+]CCN1CCO[C@H]2CCC[C@@H]21 ZINC000053425631 168388474 /nfs/dbraw/zinc/38/84/74/168388474.db2.gz AONCRBKPKJZCON-KBPBESRZSA-N 1 0 240.391 2.018 10 0 BEAERO [NH3+][C@@H]1CCCc2cc(C(F)(F)F)ccc2[C@@H]1O ZINC000008699496 342802465 /nfs/dbraw/zinc/80/24/65/342802465.db2.gz JVLZZZZRSOZYKK-MNOVXSKESA-N 1 0 245.244 2.402 10 0 BEAERO [NH3+][C@H]1CCc2c(Cl)cc(Cl)cc2[C@@H]1O ZINC000008699443 342802547 /nfs/dbraw/zinc/80/25/47/342802547.db2.gz OKVANKUUGAGAAX-UWVGGRQHSA-N 1 0 232.110 2.300 10 0 BEAERO [NH3+][C@@H]1CCc2c(Cl)cc(Cl)cc2[C@H]1O ZINC000008699442 342802607 /nfs/dbraw/zinc/80/26/07/342802607.db2.gz OKVANKUUGAGAAX-NXEZZACHSA-N 1 0 232.110 2.300 10 0 BEAERO CCC(CC)[NH2+]Cc1nc(C)c(C)n1C ZINC000022862358 168390239 /nfs/dbraw/zinc/39/02/39/168390239.db2.gz FEBFCSSCHCKCBI-UHFFFAOYSA-N 1 0 209.337 2.315 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccccc1 ZINC000040671837 538972455 /nfs/dbraw/zinc/97/24/55/538972455.db2.gz HGSLDUOYXCJEAV-JSGCOSHPSA-N 1 0 218.344 2.431 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccco1 ZINC000040671973 538972625 /nfs/dbraw/zinc/97/26/25/538972625.db2.gz PGHKIHOGAWVMJN-WDEREUQCSA-N 1 0 208.305 2.024 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccsc1 ZINC000157675433 342814853 /nfs/dbraw/zinc/81/48/53/342814853.db2.gz PEHOEFGHDWNWKP-QMMMGPOBSA-N 1 0 212.318 2.060 10 0 BEAERO C[C@@H]([NH3+])c1ccc(OC(F)F)c(F)c1 ZINC000127037858 342814921 /nfs/dbraw/zinc/81/49/21/342814921.db2.gz NRRPJEFXNXJOAV-RXMQYKEDSA-N 1 0 205.179 2.447 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccco1 ZINC000040671974 538972782 /nfs/dbraw/zinc/97/27/82/538972782.db2.gz PGHKIHOGAWVMJN-GHMZBOCLSA-N 1 0 208.305 2.024 10 0 BEAERO CCCc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000378670144 538973454 /nfs/dbraw/zinc/97/34/54/538973454.db2.gz CQGANLLULKISTC-UONOGXRCSA-N 1 0 219.328 2.110 10 0 BEAERO Cc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)o1 ZINC000035717744 342807284 /nfs/dbraw/zinc/80/72/84/342807284.db2.gz DTDPRJCMUXYBAB-JTQLQIEISA-N 1 0 211.305 2.179 10 0 BEAERO CC(C)(CO)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000380140191 538985695 /nfs/dbraw/zinc/98/56/95/538985695.db2.gz VKMZADZAQGCPMB-QWRGUYRKSA-N 1 0 217.328 2.123 10 0 BEAERO CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000380140187 538985744 /nfs/dbraw/zinc/98/57/44/538985744.db2.gz VKMZADZAQGCPMB-GHMZBOCLSA-N 1 0 217.328 2.123 10 0 BEAERO Cc1cccc([C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000044119485 538987032 /nfs/dbraw/zinc/98/70/32/538987032.db2.gz AJFXBXFBBLGODA-CYBMUJFWSA-N 1 0 207.317 2.369 10 0 BEAERO CCCC[C@H](C)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000380211922 538987527 /nfs/dbraw/zinc/98/75/27/538987527.db2.gz ZJUGKILWNOMTLP-RWMBFGLXSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@]1(c2cncn2Cc2ccccc2)CC[NH2+]C1 ZINC000097007764 344004330 /nfs/dbraw/zinc/00/43/30/344004330.db2.gz GYOOFSWQFAEGDY-OAHLLOKOSA-N 1 0 241.338 2.182 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382407429 361935336 /nfs/dbraw/zinc/93/53/36/361935336.db2.gz BVFNSEFONHYIHQ-NWDGAFQWSA-N 1 0 248.374 2.448 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+]C1CC2(CCC2)C1 ZINC000379814351 538980496 /nfs/dbraw/zinc/98/04/96/538980496.db2.gz QULJUQMWFXNHQP-LBPRGKRZSA-N 1 0 209.333 2.478 10 0 BEAERO Cc1cc[nH+]c(NCC[C@H]2CCCO2)c1 ZINC000043561566 538981990 /nfs/dbraw/zinc/98/19/90/538981990.db2.gz IJFPKFBBWXOVDT-LLVKDONJSA-N 1 0 206.289 2.371 10 0 BEAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000380059459 538984221 /nfs/dbraw/zinc/98/42/21/538984221.db2.gz ZFSJWSOZMNZXLR-ZCFIWIBFSA-N 1 0 215.247 2.166 10 0 BEAERO CCC(CC)[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000381584852 539004362 /nfs/dbraw/zinc/00/43/62/539004362.db2.gz HAYVVHGVGOCPIR-GWCFXTLKSA-N 1 0 226.364 2.022 10 0 BEAERO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000382245077 539008510 /nfs/dbraw/zinc/00/85/10/539008510.db2.gz SSJZFJXNCUBCBJ-YVECIDJPSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1ccc(N2CC[NH2+][C@@H](C)CC2)cc1F ZINC000049661474 539009176 /nfs/dbraw/zinc/00/91/76/539009176.db2.gz MEEFYJQNUKKRDC-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000390642050 539026691 /nfs/dbraw/zinc/02/66/91/539026691.db2.gz NCZPFQDKRYSXLR-MJDLHHQISA-N 1 0 241.400 2.284 10 0 BEAERO CCC(CC)(CC)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000391240436 539027426 /nfs/dbraw/zinc/02/74/26/539027426.db2.gz ZJLLJVNBFWWWNN-CYBMUJFWSA-N 1 0 242.407 2.123 10 0 BEAERO CC[C@](C)(OC)[C@H]1[NH2+]CCc2occc21 ZINC000709945852 539027768 /nfs/dbraw/zinc/02/77/68/539027768.db2.gz WWXKPCBQSXIIAK-RYUDHWBXSA-N 1 0 209.289 2.282 10 0 BEAERO [NH3+][C@@H]1CC[C@](O)(c2sccc2Cl)C1 ZINC000229924912 342855724 /nfs/dbraw/zinc/85/57/24/342855724.db2.gz RTJHAPUUHGYONV-HZGVNTEJSA-N 1 0 217.721 2.100 10 0 BEAERO Cc1cc(C)c(C[NH+](C)C)c(C)c1C=O ZINC000144061700 361997112 /nfs/dbraw/zinc/99/71/12/361997112.db2.gz FYOLTQSXFYAPSG-UHFFFAOYSA-N 1 0 205.301 2.486 10 0 BEAERO CC(C)CC1(CNC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000392021202 398300959 /nfs/dbraw/zinc/30/09/59/398300959.db2.gz XTRKUSILQBVBHA-LBPRGKRZSA-N 1 0 240.391 2.302 10 0 BEAERO CC(C)[C@H]1CCC[C@@]([NH3+])(c2ncc[nH]2)C1 ZINC000521401598 398305120 /nfs/dbraw/zinc/30/51/20/398305120.db2.gz LGWXCSHYQJEQSW-JQWIXIFHSA-N 1 0 207.321 2.410 10 0 BEAERO C[C@H](CC[NH2+]Cc1ccc(Cl)o1)[S@](C)=O ZINC000132555124 398306377 /nfs/dbraw/zinc/30/63/77/398306377.db2.gz GELIQLGGVLODBO-ANRSDYALSA-N 1 0 249.763 2.180 10 0 BEAERO C[C@@H]([NH3+])c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000406501121 342870356 /nfs/dbraw/zinc/87/03/56/342870356.db2.gz QLDAAIKCDGYSGR-MRVPVSSYSA-N 1 0 237.303 2.448 10 0 BEAERO C[NH2+][C@H]1CSCc2cc(F)cc(F)c21 ZINC000165055000 342872412 /nfs/dbraw/zinc/87/24/12/342872412.db2.gz SZNDVJNAHUCPAP-VIFPVBQESA-N 1 0 215.268 2.472 10 0 BEAERO Cc1nc([C@@H]([NH3+])Cc2ccoc2)cs1 ZINC000164918046 342857202 /nfs/dbraw/zinc/85/72/02/342857202.db2.gz KFISTWHICAHGFB-VIFPVBQESA-N 1 0 208.286 2.287 10 0 BEAERO Cc1nc([C@H]([NH3+])Cc2ccoc2)cs1 ZINC000164917916 342857230 /nfs/dbraw/zinc/85/72/30/342857230.db2.gz KFISTWHICAHGFB-SECBINFHSA-N 1 0 208.286 2.287 10 0 BEAERO N[C@@H](Cc1ccc(F)cc1F)C(F)F ZINC000229943536 342858028 /nfs/dbraw/zinc/85/80/28/342858028.db2.gz JNFKBJORTVAPBN-QMMMGPOBSA-N 1 0 207.170 2.100 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])Cc1cncs1 ZINC000164934095 342858929 /nfs/dbraw/zinc/85/89/29/342858929.db2.gz HOYTYPBHTQFHRR-MRVPVSSYSA-N 1 0 225.342 2.151 10 0 BEAERO Cc1ncsc1[C@@H]([NH3+])Cc1cncs1 ZINC000164934215 342859117 /nfs/dbraw/zinc/85/91/17/342859117.db2.gz HOYTYPBHTQFHRR-QMMMGPOBSA-N 1 0 225.342 2.151 10 0 BEAERO N[C@H](c1cnns1)c1sccc1Cl ZINC000229960094 342860155 /nfs/dbraw/zinc/86/01/55/342860155.db2.gz QHZGWUJBCAZEQU-ZCFIWIBFSA-N 1 0 231.733 2.301 10 0 BEAERO N[C@@H](c1cnns1)c1sccc1Cl ZINC000229960089 342860334 /nfs/dbraw/zinc/86/03/34/342860334.db2.gz QHZGWUJBCAZEQU-LURJTMIESA-N 1 0 231.733 2.301 10 0 BEAERO Clc1csc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000165289716 342896836 /nfs/dbraw/zinc/89/68/36/342896836.db2.gz MSOCSHANCJEPQN-SSDOTTSWSA-N 1 0 231.752 2.351 10 0 BEAERO [NH3+][C@H](c1ncccc1Br)C1CC1 ZINC000134754969 342882641 /nfs/dbraw/zinc/88/26/41/342882641.db2.gz IMXZHLJEAVHAQC-QMMMGPOBSA-N 1 0 227.105 2.254 10 0 BEAERO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000219649334 342884047 /nfs/dbraw/zinc/88/40/47/342884047.db2.gz GDZPWQCQDBQIJJ-OCCSQVGLSA-N 1 0 247.338 2.318 10 0 BEAERO Cc1ccsc1[C@H](CO)[NH2+]CC1CC1 ZINC000041675084 398320851 /nfs/dbraw/zinc/32/08/51/398320851.db2.gz BDOQWYQMRSEFEA-JTQLQIEISA-N 1 0 211.330 2.090 10 0 BEAERO COC(=O)CCC[NH2+][C@@H](C)c1cccs1 ZINC000035737044 342891389 /nfs/dbraw/zinc/89/13/89/342891389.db2.gz SYWXNFNMTRPZHM-VIFPVBQESA-N 1 0 227.329 2.352 10 0 BEAERO CCCC(CCC)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232921544 342891994 /nfs/dbraw/zinc/89/19/94/342891994.db2.gz PUUISKIOQUCKDF-JQWIXIFHSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H](C[NH3+])c1csc(-c2cncs2)n1 ZINC000165261991 342893508 /nfs/dbraw/zinc/89/35/08/342893508.db2.gz AOJRDCNSFCGTTK-ZCFIWIBFSA-N 1 0 225.342 2.329 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1Nc1nc(Cl)cs1 ZINC000165299746 342900612 /nfs/dbraw/zinc/90/06/12/342900612.db2.gz DEKBOZAPNDLRJE-RITPCOANSA-N 1 0 217.725 2.088 10 0 BEAERO CCCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105801866 398325543 /nfs/dbraw/zinc/32/55/43/398325543.db2.gz VYEVSWNRQNHBEI-UHFFFAOYSA-N 1 0 248.374 2.097 10 0 BEAERO CC(C)(C)c1noc(C2CCC([NH3+])CC2)n1 ZINC000037472109 398324571 /nfs/dbraw/zinc/32/45/71/398324571.db2.gz CKTYUUVPEWWYDL-UHFFFAOYSA-N 1 0 223.320 2.352 10 0 BEAERO CC(C)(C)OC(=O)NCC1(C[NH3+])CCCCC1 ZINC000157284757 344010570 /nfs/dbraw/zinc/01/05/70/344010570.db2.gz VTVJJFFEFVAHOH-UHFFFAOYSA-N 1 0 242.363 2.420 10 0 BEAERO CC[N@H+](C[C@@H](O)COC(C)(C)C)C1CCCC1 ZINC000047967312 342930660 /nfs/dbraw/zinc/93/06/60/342930660.db2.gz FGCPKJITLTUHHI-CYBMUJFWSA-N 1 0 243.391 2.427 10 0 BEAERO Cc1csc(C[C@@]2(F)CCC[NH2+]C2)n1 ZINC000158087105 398327844 /nfs/dbraw/zinc/32/78/44/398327844.db2.gz BWQCKYPNUKCPEA-JTQLQIEISA-N 1 0 214.309 2.086 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccncc1 ZINC000037490930 398329041 /nfs/dbraw/zinc/32/90/41/398329041.db2.gz XHQBXMHSXZRCHC-RTXFEEFZSA-N 1 0 220.316 2.036 10 0 BEAERO CC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000038120378 398336297 /nfs/dbraw/zinc/33/62/97/398336297.db2.gz ALKSTEWFTXATRU-JTQLQIEISA-N 1 0 233.233 2.348 10 0 BEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000392950144 398336327 /nfs/dbraw/zinc/33/63/27/398336327.db2.gz UKNHGNGDQHXWAU-FVCCEPFGSA-N 1 0 238.375 2.212 10 0 BEAERO CC[C@](F)(C[NH3+])c1cc(F)ccc1F ZINC000158341958 398332257 /nfs/dbraw/zinc/33/22/57/398332257.db2.gz SSFMVWFFQPYKGY-JTQLQIEISA-N 1 0 203.207 2.498 10 0 BEAERO C[C@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccccc1 ZINC000037607409 398332440 /nfs/dbraw/zinc/33/24/40/398332440.db2.gz OXIJWFWNTDNBOQ-AAEUAGOBSA-N 1 0 232.327 2.087 10 0 BEAERO [NH3+]C1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000037623149 398332764 /nfs/dbraw/zinc/33/27/64/398332764.db2.gz NFDFLKXJDNOXJK-UHFFFAOYSA-N 1 0 236.290 2.282 10 0 BEAERO Cc1ccc(C)c(C(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000011630731 178467009 /nfs/dbraw/zinc/46/70/09/178467009.db2.gz ZUVRGCYFQHBUCS-GFCCVEGCSA-N 1 0 217.312 2.486 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C2CC2)c(C)c1 ZINC000037765418 398334217 /nfs/dbraw/zinc/33/42/17/398334217.db2.gz SSSOVPCBZBIZKR-GFCCVEGCSA-N 1 0 246.354 2.233 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C[C@H](C)[NH3+])c(C)c1 ZINC000037765428 398334228 /nfs/dbraw/zinc/33/42/28/398334228.db2.gz DZZBASLBPPCLLY-NWDGAFQWSA-N 1 0 234.343 2.218 10 0 BEAERO c1cc(C[NH2+]CC[C@H]2CCCO2)cs1 ZINC000037988813 398335578 /nfs/dbraw/zinc/33/55/78/398335578.db2.gz GONQAQGBYFDZHP-LLVKDONJSA-N 1 0 211.330 2.407 10 0 BEAERO c1csc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000037988779 398335583 /nfs/dbraw/zinc/33/55/83/398335583.db2.gz KEPAGIJKAOQUBP-SNVBAGLBSA-N 1 0 211.330 2.407 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@H]2CCCO2)o1 ZINC000037988761 398335584 /nfs/dbraw/zinc/33/55/84/398335584.db2.gz GPDLFKCHOHJOAD-LLVKDONJSA-N 1 0 209.289 2.247 10 0 BEAERO CC(C)CC(CC(C)C)[NH2+]CCC[NH3+] ZINC000037713505 342943386 /nfs/dbraw/zinc/94/33/86/342943386.db2.gz KZPVADMNPWEEEU-UHFFFAOYSA-N 1 0 200.370 2.386 10 0 BEAERO Cc1ccncc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000135463102 398342062 /nfs/dbraw/zinc/34/20/62/398342062.db2.gz NPULLYWRSOVBNT-JSGCOSHPSA-N 1 0 234.343 2.031 10 0 BEAERO CCc1c(C[NH+](C)C)ccc(C(C)=O)c1O ZINC000034153967 398343287 /nfs/dbraw/zinc/34/32/87/398343287.db2.gz RFFNJSSDJHMVAL-UHFFFAOYSA-N 1 0 221.300 2.219 10 0 BEAERO [NH3+][C@@H]1CCCc2cccc(Cl)c2[C@@H]1O ZINC000019795488 342957831 /nfs/dbraw/zinc/95/78/31/342957831.db2.gz WGKKLMBVYZACAX-MWLCHTKSSA-N 1 0 211.692 2.037 10 0 BEAERO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1CC ZINC000020092022 342968797 /nfs/dbraw/zinc/96/87/97/342968797.db2.gz XZUSPJIKFBSHMU-UPJWGTAASA-N 1 0 212.381 2.495 10 0 BEAERO Cc1c([C@H](C)[NH3+])cnn1Cc1ccccc1 ZINC000020216611 342977535 /nfs/dbraw/zinc/97/75/35/342977535.db2.gz MXEJTQKVWQUKPU-JTQLQIEISA-N 1 0 215.300 2.260 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000211779848 343001092 /nfs/dbraw/zinc/00/10/92/343001092.db2.gz KRIBOEIJXHFSQL-WCQYABFASA-N 1 0 240.391 2.317 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000211764360 343001208 /nfs/dbraw/zinc/00/12/08/343001208.db2.gz BMXWIVNQSLNMKD-DGCLKSJQSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336758937 167382760 /nfs/dbraw/zinc/38/27/60/167382760.db2.gz KZBBEVBMNIPKOP-NEPJUHHUSA-N 1 0 211.349 2.437 10 0 BEAERO CCC(CC)(C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000309211054 259342204 /nfs/dbraw/zinc/34/22/04/259342204.db2.gz DNTJZWPKWXFJMK-LLVKDONJSA-N 1 0 231.380 2.188 10 0 BEAERO [NH3+][C@H](C(=O)OC1CCCC1)C1CCCCC1 ZINC000048632317 343050493 /nfs/dbraw/zinc/05/04/93/343050493.db2.gz YBKIMYUFPVLCQN-LBPRGKRZSA-N 1 0 225.332 2.380 10 0 BEAERO Clc1cc2c(cc1C[NH2+]C1CC1)OCO2 ZINC000144927422 343052818 /nfs/dbraw/zinc/05/28/18/343052818.db2.gz VRDMJNOXKZMLTF-UHFFFAOYSA-N 1 0 225.675 2.321 10 0 BEAERO [NH3+][C@@H](CO)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000072198899 343068904 /nfs/dbraw/zinc/06/89/04/343068904.db2.gz VUOICOBAIVLPGW-QMMMGPOBSA-N 1 0 239.624 2.351 10 0 BEAERO [NH3+]C1(COc2nc(Cl)cs2)CCCC1 ZINC000165385402 343071068 /nfs/dbraw/zinc/07/10/68/343071068.db2.gz YQDIYEKGAUCOJO-UHFFFAOYSA-N 1 0 232.736 2.447 10 0 BEAERO C[C@@H]([NH3+])c1csc(-c2ccns2)n1 ZINC000404456391 343071845 /nfs/dbraw/zinc/07/18/45/343071845.db2.gz MWRSUSGTPRMMCH-RXMQYKEDSA-N 1 0 211.315 2.286 10 0 BEAERO COc1ccc2ccnc(C3(C(N)=[NH2+])CC3)c2c1 ZINC000584882035 343083696 /nfs/dbraw/zinc/08/36/96/343083696.db2.gz YCRVAINQASFTLQ-UHFFFAOYSA-N 1 0 241.294 2.211 10 0 BEAERO CCNc1c(N)c[nH+]c2cc(C)cc(C)c21 ZINC000584882408 343084576 /nfs/dbraw/zinc/08/45/76/343084576.db2.gz GECCGTAMNRCTRL-UHFFFAOYSA-N 1 0 215.300 2.288 10 0 BEAERO CCNc1c(N)c[nH+]c2c(C)cc(C)cc12 ZINC000584882298 343084589 /nfs/dbraw/zinc/08/45/89/343084589.db2.gz AKPDRKXMQSIVFU-UHFFFAOYSA-N 1 0 215.300 2.288 10 0 BEAERO CCOC(=O)C[C@@H](C[NH3+])C1CCCCCC1 ZINC000584883401 343086182 /nfs/dbraw/zinc/08/61/82/343086182.db2.gz XORMNHKVPGFSQK-LBPRGKRZSA-N 1 0 227.348 2.485 10 0 BEAERO Cc1ccc(-c2cc3c([nH+]c2N)NCCC3)cc1 ZINC000584883381 343086214 /nfs/dbraw/zinc/08/62/14/343086214.db2.gz VDNGAYDUDPMAMC-UHFFFAOYSA-N 1 0 239.322 2.344 10 0 BEAERO C[C@H]1Cc2ccsc2C2(CCOCC2)[NH2+]1 ZINC000584883911 343087315 /nfs/dbraw/zinc/08/73/15/343087315.db2.gz XFACSIOYIHYYPR-VIFPVBQESA-N 1 0 223.341 2.288 10 0 BEAERO [NH3+]CCc1c[nH]c2ccc(Cl)c(F)c12 ZINC000238567807 343077129 /nfs/dbraw/zinc/07/71/29/343077129.db2.gz JHBDKZLEAAEHRH-UHFFFAOYSA-N 1 0 212.655 2.462 10 0 BEAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400462049 343078531 /nfs/dbraw/zinc/07/85/31/343078531.db2.gz OXRLYJVDSUWDSD-NXEZZACHSA-N 1 0 219.332 2.207 10 0 BEAERO Cc1c(-c2ccc(C[NH3+])cc2C)cnn1C ZINC000085708021 488200031 /nfs/dbraw/zinc/20/00/31/488200031.db2.gz IKXMWPVKRSZHJS-UHFFFAOYSA-N 1 0 215.300 2.163 10 0 BEAERO C=Cc1cncc([C@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000013609752 343096282 /nfs/dbraw/zinc/09/62/82/343096282.db2.gz QSTBNXJNILHTMI-YNEHKIRRSA-N 1 0 200.285 2.333 10 0 BEAERO CC[N@H+](Cc1ccccc1)[C@H](C)C(N)=S ZINC000043513972 343115666 /nfs/dbraw/zinc/11/56/66/343115666.db2.gz CCYUOTBOOTXYAC-SNVBAGLBSA-N 1 0 222.357 2.183 10 0 BEAERO Cc1ccc(C)c([C@@H]([NH3+])c2cnccn2)c1 ZINC000053303288 178496863 /nfs/dbraw/zinc/49/68/63/178496863.db2.gz BXDXKVQYKWVVFQ-CYBMUJFWSA-N 1 0 213.284 2.142 10 0 BEAERO CC[C@@H](C(N)=S)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043539518 343132264 /nfs/dbraw/zinc/13/22/64/343132264.db2.gz DKKLYRIJNMYRFW-AEJSXWLSSA-N 1 0 214.378 2.029 10 0 BEAERO CCC[NH2+]CCc1ccc(CCC(=O)OC)cc1 ZINC000165064735 343134830 /nfs/dbraw/zinc/13/48/30/343134830.db2.gz ZZHKPYQLMJMKBA-UHFFFAOYSA-N 1 0 249.354 2.334 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000120895326 343137112 /nfs/dbraw/zinc/13/71/12/343137112.db2.gz ZSFORJCRZLRPQO-CYBMUJFWSA-N 1 0 226.364 2.071 10 0 BEAERO Nc1ccc2c(c1)CC[C@@H](C[NH+]1CCCC1)C2 ZINC000145136708 343138768 /nfs/dbraw/zinc/13/87/68/343138768.db2.gz AXGKRHLWQFVXED-GFCCVEGCSA-N 1 0 230.355 2.470 10 0 BEAERO [NH3+][C@H](Cc1ccccc1F)c1ccncc1 ZINC000037466465 343144231 /nfs/dbraw/zinc/14/42/31/343144231.db2.gz CPIALMBHARUPRD-CYBMUJFWSA-N 1 0 216.259 2.463 10 0 BEAERO CCC[C@H]([NH3+])C(=O)Nc1cccc2ccncc21 ZINC000131153424 343182654 /nfs/dbraw/zinc/18/26/54/343182654.db2.gz LZXUXHGJKMOHEE-LBPRGKRZSA-N 1 0 243.310 2.301 10 0 BEAERO CC[C@@H](C)CN(CC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000093254763 343151348 /nfs/dbraw/zinc/15/13/48/343151348.db2.gz CAZKMVPECUMBGM-CHWSQXEVSA-N 1 0 240.391 2.271 10 0 BEAERO CCC(CC)CNC(=O)c1ccccc1CC[NH3+] ZINC000125075654 343165307 /nfs/dbraw/zinc/16/53/07/343165307.db2.gz VUYRYIKRZYCPJN-UHFFFAOYSA-N 1 0 248.370 2.354 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)CC[NH2+]C1CC1 ZINC000124882362 343165526 /nfs/dbraw/zinc/16/55/26/343165526.db2.gz ALAFXZQXOHIWJK-CYBMUJFWSA-N 1 0 238.375 2.310 10 0 BEAERO CC(C)(C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000124014270 343166646 /nfs/dbraw/zinc/16/66/46/343166646.db2.gz WRQJDKOSPUPKQI-UHFFFAOYSA-N 1 0 248.370 2.354 10 0 BEAERO CC1(C)CCCC[C@H]1[NH2+]CCCn1ccnn1 ZINC000126530874 343170199 /nfs/dbraw/zinc/17/01/99/343170199.db2.gz DTKAHPVQMSBYRX-GFCCVEGCSA-N 1 0 236.363 2.227 10 0 BEAERO Nc1cc[nH+]c(NCc2cccs2)c1 ZINC000043568838 343172820 /nfs/dbraw/zinc/17/28/20/343172820.db2.gz SXEGOTMLTJQSIR-UHFFFAOYSA-N 1 0 205.286 2.337 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C[C@@H](N)c1ccccc1 ZINC000165361230 343211027 /nfs/dbraw/zinc/21/10/27/343211027.db2.gz PEDYSNCMEJYFIP-DGCLKSJQSA-N 1 0 204.317 2.171 10 0 BEAERO c1cc2c(ccnc2N[C@H]2CCC[NH2+]C2)s1 ZINC000070950466 343215098 /nfs/dbraw/zinc/21/50/98/343215098.db2.gz VYZYKWACPTWBNB-VIFPVBQESA-N 1 0 233.340 2.460 10 0 BEAERO CC(C)[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000309317522 343220924 /nfs/dbraw/zinc/22/09/24/343220924.db2.gz ZIQWIISAXPBXIE-CQSZACIVSA-N 1 0 218.344 2.201 10 0 BEAERO COc1ccc([C@H](C)[C@@H]2C=CC[NH2+]2)cc1 ZINC000238372387 343255669 /nfs/dbraw/zinc/25/56/69/343255669.db2.gz NPFQNACCVMWMTR-GWCFXTLKSA-N 1 0 203.285 2.327 10 0 BEAERO [NH3+]CCCc1cnn(CCCc2ccccc2)c1 ZINC000071151582 343231402 /nfs/dbraw/zinc/23/14/02/343231402.db2.gz SELSKJQXRIWNEZ-UHFFFAOYSA-N 1 0 243.354 2.407 10 0 BEAERO C([C@H]1CCCC[NH2+]1)N1CC2CCC1CC2 ZINC000238001152 343236393 /nfs/dbraw/zinc/23/63/93/343236393.db2.gz GTFPMPIUGWMCNZ-OTTFEQOBSA-N 1 0 208.349 2.003 10 0 BEAERO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccncc3)c2O1 ZINC000138953227 343250129 /nfs/dbraw/zinc/25/01/29/343250129.db2.gz WLFIQUXASWMNAE-LBPRGKRZSA-N 1 0 244.269 2.150 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCc2nccn2C1)C(C)C ZINC000371480737 343286242 /nfs/dbraw/zinc/28/62/42/343286242.db2.gz QLLSDOMAFRVHLF-NWDGAFQWSA-N 1 0 221.348 2.222 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC1CC1 ZINC000035138583 343286367 /nfs/dbraw/zinc/28/63/67/343286367.db2.gz VPZZWQRHJIPXLS-DTWKUNHWSA-N 1 0 238.356 2.066 10 0 BEAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCCC1 ZINC000034303977 343267996 /nfs/dbraw/zinc/26/79/96/343267996.db2.gz BLAFSMXCRFQMMZ-HUUCEWRRSA-N 1 0 230.355 2.358 10 0 BEAERO C[C@H]1CC(N)=[NH+]N1c1ccc(Cl)cc1 ZINC000034592820 343275361 /nfs/dbraw/zinc/27/53/61/343275361.db2.gz OIRYAEFOEAYPHY-ZETCQYMHSA-N 1 0 209.680 2.211 10 0 BEAERO [NH3+]CCCCCCCNC(=O)c1ccccc1 ZINC000166194480 343318867 /nfs/dbraw/zinc/31/88/67/343318867.db2.gz TWPASDXTDSYKKC-UHFFFAOYSA-N 1 0 234.343 2.326 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCC1 ZINC000228677686 259357445 /nfs/dbraw/zinc/35/74/45/259357445.db2.gz KDTBMQFBBGKNTP-CHWSQXEVSA-N 1 0 209.333 2.380 10 0 BEAERO CCC[C@](C)([NH3+])c1nc(-c2cccnc2)no1 ZINC000036865014 343325466 /nfs/dbraw/zinc/32/54/66/343325466.db2.gz SECKWRRWZUDEBK-LBPRGKRZSA-N 1 0 232.287 2.106 10 0 BEAERO COC(=O)CCCCc1cccn2c[nH+]cc12 ZINC000146324108 343291570 /nfs/dbraw/zinc/29/15/70/343291570.db2.gz AIVKGYJPWSOMBZ-UHFFFAOYSA-N 1 0 232.283 2.220 10 0 BEAERO COC(=O)C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000035751856 343303971 /nfs/dbraw/zinc/30/39/71/343303971.db2.gz QHPOOEXYBVPKDB-NSHDSACASA-N 1 0 221.300 2.070 10 0 BEAERO O=C1c2ccccc2CC[C@@]12CCC[NH2+]C2 ZINC000200702610 343305220 /nfs/dbraw/zinc/30/52/20/343305220.db2.gz XDJIAZZBKPEHGB-CQSZACIVSA-N 1 0 215.296 2.185 10 0 BEAERO CC[C@H]1C[C@]1([NH3+])c1cccc(-n2cccn2)c1 ZINC000147698106 343378791 /nfs/dbraw/zinc/37/87/91/343378791.db2.gz VTOJIHOHIGHWJD-SMDDNHRTSA-N 1 0 227.311 2.456 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000038050680 343367648 /nfs/dbraw/zinc/36/76/48/343367648.db2.gz QOFLSJOPNUNVRI-NXEZZACHSA-N 1 0 230.315 2.245 10 0 BEAERO Cc1ccsc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049507 343367964 /nfs/dbraw/zinc/36/79/64/343367964.db2.gz JMFGJKFNLWQQCL-UWVGGRQHSA-N 1 0 238.356 2.056 10 0 BEAERO C[C@@]([NH3+])(CO)c1ccc(Cl)cc1Cl ZINC000038124427 343371569 /nfs/dbraw/zinc/37/15/69/343371569.db2.gz ZCLUUTUQVDJMNN-SECBINFHSA-N 1 0 220.099 2.160 10 0 BEAERO OC1(c2cc3ccccc3s2)CC[NH2+]CC1 ZINC000147269013 343372428 /nfs/dbraw/zinc/37/24/28/343372428.db2.gz ONZMBGARNVQDAU-UHFFFAOYSA-N 1 0 233.336 2.472 10 0 BEAERO CNc1cccc([C@@H](CN2CCCC2)[NH2+]C)c1 ZINC000166245072 343348747 /nfs/dbraw/zinc/34/87/47/343348747.db2.gz IRTLLUMFSZFWDU-CQSZACIVSA-N 1 0 233.359 2.085 10 0 BEAERO CC(C)(C)[NH2+]CC(=O)c1ccc2c(c1)CCN2 ZINC000041619333 343422242 /nfs/dbraw/zinc/42/22/42/343422242.db2.gz HIZNUINNFZKJKH-UHFFFAOYSA-N 1 0 232.327 2.225 10 0 BEAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000040941966 343411831 /nfs/dbraw/zinc/41/18/31/343411831.db2.gz BNJICPSSJZQIOE-GXSJLCMTSA-N 1 0 211.692 2.376 10 0 BEAERO C[C@H]1C[N@H+](CCC2(O)CC2)CC(C)(C)C1 ZINC000335714959 136338690 /nfs/dbraw/zinc/33/86/90/136338690.db2.gz HDGRHAXOGWBAEL-LLVKDONJSA-N 1 0 211.349 2.269 10 0 BEAERO CC[C@H]1CC[C@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000157337619 133484997 /nfs/dbraw/zinc/48/49/97/133484997.db2.gz BNGXFKSIPKTVRU-RYUDHWBXSA-N 1 0 226.364 2.069 10 0 BEAERO CCSc1ccc([C@H]([NH3+])CCO)cc1 ZINC000044236318 343496007 /nfs/dbraw/zinc/49/60/07/343496007.db2.gz LRKYPHWMJZJTHK-LLVKDONJSA-N 1 0 211.330 2.181 10 0 BEAERO CCC[C@H](C)[NH2+][C@H](C)C(=O)N[C@H](C)CC ZINC000251330969 343528513 /nfs/dbraw/zinc/52/85/13/343528513.db2.gz NGBDHGHOWVPXQG-OUAUKWLOSA-N 1 0 214.353 2.068 10 0 BEAERO c1cc2c(s1)[C@]1(CO[C@@H](C3CC3)C1)[NH2+]CC2 ZINC000712523769 537789175 /nfs/dbraw/zinc/78/91/75/537789175.db2.gz SMZVVGQKYRCZRW-YPMHNXCESA-N 1 0 235.352 2.288 10 0 BEAERO C[C@]1([C@H]2CCCO2)[NH2+]CCc2ccsc21 ZINC000712512445 537786882 /nfs/dbraw/zinc/78/68/82/537786882.db2.gz KKZAWNUUKFWGOY-ZYHUDNBSSA-N 1 0 223.341 2.288 10 0 BEAERO CC[C@H](OC)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712559374 537791888 /nfs/dbraw/zinc/79/18/88/537791888.db2.gz QZKJMTUIVXGEIR-UWVGGRQHSA-N 1 0 211.330 2.360 10 0 BEAERO COC(C)(C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712559653 537793390 /nfs/dbraw/zinc/79/33/90/537793390.db2.gz YDULVSQWKSKOKM-JTQLQIEISA-N 1 0 211.330 2.360 10 0 BEAERO Cc1ccc(CN(C)c2ccc(C[NH3+])cn2)o1 ZINC000035698867 178554822 /nfs/dbraw/zinc/55/48/22/178554822.db2.gz BTHITNDNBCHAIR-UHFFFAOYSA-N 1 0 231.299 2.078 10 0 BEAERO CC[C@@H](OC)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712559378 537793545 /nfs/dbraw/zinc/79/35/45/537793545.db2.gz QZKJMTUIVXGEIR-ZJUUUORDSA-N 1 0 211.330 2.360 10 0 BEAERO CC(C)(C)C1CC[NH+](CC(N)=S)CC1 ZINC000050347073 343613666 /nfs/dbraw/zinc/61/36/66/343613666.db2.gz OBFJZISWUQYRJA-UHFFFAOYSA-N 1 0 214.378 2.031 10 0 BEAERO CC(C)[NH+](CCNc1cccnn1)C(C)C ZINC000052815847 343639732 /nfs/dbraw/zinc/63/97/32/343639732.db2.gz VRTDLSNAQPYTCJ-UHFFFAOYSA-N 1 0 222.336 2.007 10 0 BEAERO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(C)C)C1 ZINC000319595337 343640663 /nfs/dbraw/zinc/64/06/63/343640663.db2.gz VWHXLLHWFATILT-VXGBXAGGSA-N 1 0 227.348 2.306 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCCS1 ZINC000379996140 365788092 /nfs/dbraw/zinc/78/80/92/365788092.db2.gz ILPMEIXVUNAATD-QWRGUYRKSA-N 1 0 231.405 2.269 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCCS1 ZINC000379996141 365788137 /nfs/dbraw/zinc/78/81/37/365788137.db2.gz ILPMEIXVUNAATD-WDEREUQCSA-N 1 0 231.405 2.269 10 0 BEAERO CCc1csc(N[C@H](C)CCC[NH3+])n1 ZINC000087362222 343645473 /nfs/dbraw/zinc/64/54/73/343645473.db2.gz VJEWYPSFXVAPHN-MRVPVSSYSA-N 1 0 213.350 2.245 10 0 BEAERO COC(C)(C)C[C@H]1[NH2+]C(C)(C)CS1 ZINC000234656535 343627462 /nfs/dbraw/zinc/62/74/62/343627462.db2.gz MDGFFNSYIPCRAG-QMMMGPOBSA-N 1 0 203.351 2.243 10 0 BEAERO NC(=[NH2+])CSc1cccc(Cl)c1 ZINC000054185611 343656696 /nfs/dbraw/zinc/65/66/96/343656696.db2.gz FCDJIBUODGWJKD-UHFFFAOYSA-N 1 0 200.694 2.368 10 0 BEAERO CC1(C)CCN(c2cccc(N)[nH+]2)CC1 ZINC000087727421 343658910 /nfs/dbraw/zinc/65/89/10/343658910.db2.gz KWLLPLHANVJCPS-UHFFFAOYSA-N 1 0 205.305 2.290 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1nc(CC)ns1 ZINC000087780247 343660379 /nfs/dbraw/zinc/66/03/79/343660379.db2.gz QPHPISKACBFMEK-QMMMGPOBSA-N 1 0 228.365 2.030 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccc(F)cc1 ZINC000054686279 343690220 /nfs/dbraw/zinc/69/02/20/343690220.db2.gz YDPSQGSLHHJFJC-LSDHHAIUSA-N 1 0 245.297 2.429 10 0 BEAERO [NH3+]C[C@@H](c1ccccc1)[C@H]1CCSC1 ZINC000107149221 343705975 /nfs/dbraw/zinc/70/59/75/343705975.db2.gz VZTJRUNIEQAXBK-RYUDHWBXSA-N 1 0 207.342 2.482 10 0 BEAERO CC[C@H]1C[NH2+]C(C)(C)CN1C/C=C/Cl ZINC000234211982 343686396 /nfs/dbraw/zinc/68/63/96/343686396.db2.gz OVYIOUFGEVCANS-PORFMDCZSA-N 1 0 216.756 2.201 10 0 BEAERO [NH3+]Cc1ccc(CCNc2ccccc2)o1 ZINC000059680408 343712152 /nfs/dbraw/zinc/71/21/52/343712152.db2.gz SADPXIDQZKOOKG-UHFFFAOYSA-N 1 0 216.284 2.393 10 0 BEAERO C[C@]1(c2ccccc2)C[C@H]2CC(=O)CC[N@@H+]2C1 ZINC000206794017 343712857 /nfs/dbraw/zinc/71/28/57/343712857.db2.gz PRBUHGQJBFTDKW-HIFRSBDPSA-N 1 0 229.323 2.382 10 0 BEAERO C[C@@H](C[NH3+])[C@H](O)c1cccc(F)c1Cl ZINC000165551904 343717963 /nfs/dbraw/zinc/71/79/63/343717963.db2.gz GLWMXOKTESOBGA-WKEGUHRASA-N 1 0 217.671 2.107 10 0 BEAERO C[C@@H](CO)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000235140089 343750819 /nfs/dbraw/zinc/75/08/19/343750819.db2.gz HOKFCBKJIMACPH-OIBJUYFYSA-N 1 0 244.132 2.077 10 0 BEAERO c1cc2c(ccnc2N2CCC[NH2+]CC2)s1 ZINC000035687618 343779467 /nfs/dbraw/zinc/77/94/67/343779467.db2.gz PYGZEMRJEPXOMX-UHFFFAOYSA-N 1 0 233.340 2.096 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]1c1nc(-c2ccco2)no1 ZINC000109508524 343786100 /nfs/dbraw/zinc/78/61/00/343786100.db2.gz LVTBYLIFINBTGD-RKDXNWHRSA-N 1 0 233.271 2.185 10 0 BEAERO Cc1nc(NCc2ccc(F)cc2)cc(N)[nH+]1 ZINC000128528921 343787326 /nfs/dbraw/zinc/78/73/26/343787326.db2.gz VKOQCDGACRTTEZ-UHFFFAOYSA-N 1 0 232.262 2.118 10 0 BEAERO CCc1cc(CC)n(C[C@@H]2CCC[NH2+]C2)n1 ZINC000132499960 343788395 /nfs/dbraw/zinc/78/83/95/343788395.db2.gz JYQFCUUZRZXTIJ-LLVKDONJSA-N 1 0 221.348 2.008 10 0 BEAERO Nc1ccc(N2CCC(C(F)F)CC2)nc1 ZINC000307864670 343789885 /nfs/dbraw/zinc/78/98/85/343789885.db2.gz LXJCUXYWNPLSLL-UHFFFAOYSA-N 1 0 227.258 2.145 10 0 BEAERO [NH3+]C[C@H](F)Cc1ccccc1Br ZINC000156342269 343791250 /nfs/dbraw/zinc/79/12/50/343791250.db2.gz MZGQMDXXCVFCCO-MRVPVSSYSA-N 1 0 232.096 2.288 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC000616613479 349863870 /nfs/dbraw/zinc/86/38/70/349863870.db2.gz KFXMTHGBGWFDPA-JTQLQIEISA-N 1 0 205.305 2.064 10 0 BEAERO COc1ccc(OC)c([C@@H]2C[NH2+]CC2(C)C)c1 ZINC000211483839 343791769 /nfs/dbraw/zinc/79/17/69/343791769.db2.gz OYKAKIAYDOVXAX-LBPRGKRZSA-N 1 0 235.327 2.417 10 0 BEAERO CCn1nc(-c2cccs2)cc1C[NH3+] ZINC000213486000 343792263 /nfs/dbraw/zinc/79/22/63/343792263.db2.gz VFWPUMXHLSNOTA-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO CC[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@@H]1O ZINC000229837213 343793475 /nfs/dbraw/zinc/79/34/75/343793475.db2.gz PQRVAWUIQXVUHR-JSGCOSHPSA-N 1 0 237.318 2.419 10 0 BEAERO Cc1sccc1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000227880512 346970595 /nfs/dbraw/zinc/97/05/95/346970595.db2.gz BAVPEOASGQMPEC-GMSGAONNSA-N 1 0 209.314 2.095 10 0 BEAERO Cc1sccc1C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000227880510 346970777 /nfs/dbraw/zinc/97/07/77/346970777.db2.gz BAVPEOASGQMPEC-XVKPBYJWSA-N 1 0 209.314 2.095 10 0 BEAERO C[C@@H](CO)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000128383484 346981005 /nfs/dbraw/zinc/98/10/05/346981005.db2.gz JQGULXLRORLSKV-SNVBAGLBSA-N 1 0 227.735 2.400 10 0 BEAERO c1nn(CC2CCC2)cc1C1CC[NH2+]CC1 ZINC000409424141 343816814 /nfs/dbraw/zinc/81/68/14/343816814.db2.gz FHBGLLUMPSDFHC-UHFFFAOYSA-N 1 0 219.332 2.150 10 0 BEAERO C[NH2+]C[C@@H]1[C@H](c2cccs2)C1(F)F ZINC000409432272 343825585 /nfs/dbraw/zinc/82/55/85/343825585.db2.gz NECQZNUGMPPRGH-HTRCEHHLSA-N 1 0 203.257 2.316 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1C(C)(C)C ZINC000409429365 343805520 /nfs/dbraw/zinc/80/55/20/343805520.db2.gz CHPYTXSNANRHCY-UWVGGRQHSA-N 1 0 242.363 2.145 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1C(C)(C)C ZINC000409429371 343805584 /nfs/dbraw/zinc/80/55/84/343805584.db2.gz CHPYTXSNANRHCY-ZJUUUORDSA-N 1 0 242.363 2.145 10 0 BEAERO C[C@H]([NH3+])Cc1ccc(CC(=O)OC(C)(C)C)cc1 ZINC000409430216 343807541 /nfs/dbraw/zinc/80/75/41/343807541.db2.gz FZRUXXKZNICOSN-NSHDSACASA-N 1 0 249.354 2.461 10 0 BEAERO Cc1nc(C[NH3+])cc(CCC2CCCC2)n1 ZINC000409439956 343854119 /nfs/dbraw/zinc/85/41/19/343854119.db2.gz UNBOLTRVIZNDLX-UHFFFAOYSA-N 1 0 219.332 2.367 10 0 BEAERO C[NH2+][C@@H]1CSCc2ccc(OC)cc21 ZINC000159055903 346995144 /nfs/dbraw/zinc/99/51/44/346995144.db2.gz FODMKEHLBRYTGV-LLVKDONJSA-N 1 0 209.314 2.203 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2cccc3ccnnc32)C1 ZINC000616613487 349873905 /nfs/dbraw/zinc/87/39/05/349873905.db2.gz RXVUNIPMEOVNAK-GFCCVEGCSA-N 1 0 227.311 2.439 10 0 BEAERO C[N@@H+]1C[C@@H](CO)C[C@@H]1c1ccc(Cl)cc1 ZINC000409437629 343842795 /nfs/dbraw/zinc/84/27/95/343842795.db2.gz AKWHEZZITCJFAD-JOYOIKCWSA-N 1 0 225.719 2.325 10 0 BEAERO [NH3+]Cc1cc(C2CCCC2)nc(C2CC2)n1 ZINC000409438386 343843627 /nfs/dbraw/zinc/84/36/27/343843627.db2.gz MNOPDSYEVLIQKS-UHFFFAOYSA-N 1 0 217.316 2.470 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000409438587 343844882 /nfs/dbraw/zinc/84/48/82/343844882.db2.gz DGDXIQZWVPEOMS-GHMZBOCLSA-N 1 0 229.283 2.331 10 0 BEAERO CCn1cc(CC[NH3+])c(-c2ccccc2)n1 ZINC000409438842 343845534 /nfs/dbraw/zinc/84/55/34/343845534.db2.gz MQWNNTSZJJXEHR-UHFFFAOYSA-N 1 0 215.300 2.071 10 0 BEAERO [NH3+]CCCn1ccn2nc(-c3cccs3)cc12 ZINC000409439092 343846630 /nfs/dbraw/zinc/84/66/30/343846630.db2.gz POIWGHIWOAUUAJ-UHFFFAOYSA-N 1 0 246.339 2.213 10 0 BEAERO [NH3+]Cc1cn(CC2CC2)nc1-c1ccsc1 ZINC000409439290 343846841 /nfs/dbraw/zinc/84/68/41/343846841.db2.gz OQYJLDXFEKAVMG-UHFFFAOYSA-N 1 0 233.340 2.480 10 0 BEAERO c1c(C2CC2)nn(C[C@@H]2CCC[NH2+]2)c1C1CC1 ZINC000409439210 343847083 /nfs/dbraw/zinc/84/70/83/343847083.db2.gz HNTBSKUVHMOYJK-LBPRGKRZSA-N 1 0 231.343 2.390 10 0 BEAERO CCc1cc(-c2ccsc2)nn1CC(N)=[NH2+] ZINC000409439459 343847576 /nfs/dbraw/zinc/84/75/76/343847576.db2.gz HZZVYWHFFWZFDA-UHFFFAOYSA-N 1 0 234.328 2.110 10 0 BEAERO NC(=[NH2+])CCc1c[nH]nc1-c1cccs1 ZINC000409438316 343850187 /nfs/dbraw/zinc/85/01/87/343850187.db2.gz CRAJXVWFNWDUDW-UHFFFAOYSA-N 1 0 220.301 2.007 10 0 BEAERO CC(C)Cn1cc(CC[NH3+])c(C(F)(F)F)n1 ZINC000409440360 343852045 /nfs/dbraw/zinc/85/20/45/343852045.db2.gz SNHRDIDYWIOABR-UHFFFAOYSA-N 1 0 235.253 2.059 10 0 BEAERO CCn1nc([C@@H]2CCCC[NH2+]2)c2c1CCC2 ZINC000409440552 343852807 /nfs/dbraw/zinc/85/28/07/343852807.db2.gz UMABMIRUIIOXMH-NSHDSACASA-N 1 0 219.332 2.206 10 0 BEAERO CCc1[nH]nc(C2CCC2)c1CCC(N)=[NH2+] ZINC000409442288 343857858 /nfs/dbraw/zinc/85/78/58/343857858.db2.gz YNXYYHSNWGBLER-UHFFFAOYSA-N 1 0 220.320 2.108 10 0 BEAERO CCc1[nH]nc(-c2ccccc2)c1C[NH2+]C ZINC000409441705 343860794 /nfs/dbraw/zinc/86/07/94/343860794.db2.gz STESWNCPNMABKW-UHFFFAOYSA-N 1 0 215.300 2.359 10 0 BEAERO CC(C)c1[nH]nc(-c2ccco2)c1C[NH3+] ZINC000409441927 343861793 /nfs/dbraw/zinc/86/17/93/343861793.db2.gz VEIDDDYZSKXXMT-UHFFFAOYSA-N 1 0 205.261 2.252 10 0 BEAERO C[NH2+]Cc1cc(-c2cccnc2)nn1C(C)C ZINC000409443602 343861850 /nfs/dbraw/zinc/86/18/50/343861850.db2.gz QFNGEJLLQCRWTE-UHFFFAOYSA-N 1 0 230.315 2.245 10 0 BEAERO C[C@H](CNc1cc(Cl)nnc1Cl)[NH+](C)C ZINC000127160883 343861997 /nfs/dbraw/zinc/86/19/97/343861997.db2.gz YXNRRLJGFVZZAV-ZCFIWIBFSA-N 1 0 249.145 2.145 10 0 BEAERO CCc1cc(C(F)(F)F)nn1C[C@H]1CCC[NH2+]1 ZINC000409442885 343865189 /nfs/dbraw/zinc/86/51/89/343865189.db2.gz CNINUAACZPQCQG-MRVPVSSYSA-N 1 0 247.264 2.216 10 0 BEAERO CCn1nc(-c2cccs2)cc1CC[NH3+] ZINC000409443036 343865608 /nfs/dbraw/zinc/86/56/08/343865608.db2.gz FTFOTDNUWCJSOG-UHFFFAOYSA-N 1 0 221.329 2.133 10 0 BEAERO CC(C)n1nc(-c2ccsc2)cc1C(N)=[NH2+] ZINC000409443245 343866540 /nfs/dbraw/zinc/86/65/40/343866540.db2.gz JTXSYVLRVOIUKY-UHFFFAOYSA-N 1 0 234.328 2.477 10 0 BEAERO Cc1cc(C(F)(F)F)nn1C[C@H]1CCCC[NH2+]1 ZINC000409443546 343867637 /nfs/dbraw/zinc/86/76/37/343867637.db2.gz PEUJSADCMBJUQN-SECBINFHSA-N 1 0 247.264 2.352 10 0 BEAERO CSC[C@H]([NH3+])c1cccc(F)c1F ZINC000069640925 343941697 /nfs/dbraw/zinc/94/16/97/343941697.db2.gz AMRCUYVSKPELOS-QMMMGPOBSA-N 1 0 203.257 2.328 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1C ZINC000367603542 178613480 /nfs/dbraw/zinc/61/34/80/178613480.db2.gz LWVBUYPWFDOVAF-QKDCVEJESA-N 1 0 231.339 2.285 10 0 BEAERO COC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000393793860 343928906 /nfs/dbraw/zinc/92/89/06/343928906.db2.gz NPWRHBVNOOEKSS-SECBINFHSA-N 1 0 238.718 2.336 10 0 BEAERO C[NH2+][C@H]1CCCC[C@H]1Sc1ncc[nH]1 ZINC000234490374 343974202 /nfs/dbraw/zinc/97/42/02/343974202.db2.gz BWFQPNLSSNEAQA-DTWKUNHWSA-N 1 0 211.334 2.032 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC000070573299 343952942 /nfs/dbraw/zinc/95/29/42/343952942.db2.gz RLIAWTOGZWDQPF-OLZOCXBDSA-N 1 0 233.311 2.247 10 0 BEAERO Cc1cc[nH+]c(N)c1[C@H]1CCCC(=O)C1 ZINC000070738000 343954847 /nfs/dbraw/zinc/95/48/47/343954847.db2.gz AIJFSHJIHKNBLU-VIFPVBQESA-N 1 0 204.273 2.199 10 0 BEAERO Cc1ccoc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616179 343960510 /nfs/dbraw/zinc/96/05/10/343960510.db2.gz PNWILLFIONXRNN-CYBMUJFWSA-N 1 0 234.343 2.258 10 0 BEAERO C[NH2+][C@@H]1CC[C@@H](Sc2nc(C)co2)C1 ZINC000234427042 343965723 /nfs/dbraw/zinc/96/57/23/343965723.db2.gz GYRZCKRSPYDFDY-RKDXNWHRSA-N 1 0 212.318 2.216 10 0 BEAERO CCC[NH2+][C@@H](C)c1cn(Cc2ccccc2)nn1 ZINC000309813683 343969735 /nfs/dbraw/zinc/96/97/35/343969735.db2.gz NKAAYOQEHSMLLF-LBPRGKRZSA-N 1 0 244.342 2.387 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCCC(F)(F)CC1 ZINC000625772600 344069653 /nfs/dbraw/zinc/06/96/53/344069653.db2.gz QYZLGWSUUMSDBZ-NXEZZACHSA-N 1 0 219.275 2.021 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c(C)c1 ZINC000282419118 178632371 /nfs/dbraw/zinc/63/23/71/178632371.db2.gz QRBRWMXXWLDOAG-JSGCOSHPSA-N 1 0 246.354 2.060 10 0 BEAERO O=C(Nc1ccccc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735362 344122678 /nfs/dbraw/zinc/12/26/78/344122678.db2.gz DVANGXLYQBZINZ-FZMZJTMJSA-N 1 0 230.311 2.015 10 0 BEAERO C[C@H]1OCC[C@]1([NH3+])Cc1ccc(Cl)s1 ZINC000127313108 344132768 /nfs/dbraw/zinc/13/27/68/344132768.db2.gz ZQWLFSFASICRGZ-XCBNKYQSSA-N 1 0 231.748 2.450 10 0 BEAERO [NH3+]CCN1C[C@H]2CCCCCN2c2ccccc21 ZINC000216790609 344152526 /nfs/dbraw/zinc/15/25/26/344152526.db2.gz AEROTSYRCLZWGR-CYBMUJFWSA-N 1 0 245.370 2.214 10 0 BEAERO CC[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)C(C)C ZINC000086573669 344219904 /nfs/dbraw/zinc/21/99/04/344219904.db2.gz OAZRUCYYBOPRDU-LLVKDONJSA-N 1 0 240.372 2.371 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncccc1C ZINC000180527771 347031743 /nfs/dbraw/zinc/03/17/43/347031743.db2.gz TYSIVCJJSRDVIM-AWEZNQCLSA-N 1 0 247.386 2.306 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncccc1C ZINC000180527750 347031748 /nfs/dbraw/zinc/03/17/48/347031748.db2.gz TYSIVCJJSRDVIM-CQSZACIVSA-N 1 0 247.386 2.306 10 0 BEAERO C[N@H+](C[C@@H]1CCCCC1=O)[C@@H]1CCSC1 ZINC000060720108 344198671 /nfs/dbraw/zinc/19/86/71/344198671.db2.gz MDXDUBOBLGZWTO-WDEREUQCSA-N 1 0 227.373 2.183 10 0 BEAERO Cc1cc(C(F)F)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000616580666 344246927 /nfs/dbraw/zinc/24/69/27/344246927.db2.gz ZYDYVMJNPLCOHH-MRVPVSSYSA-N 1 0 227.258 2.190 10 0 BEAERO [NH3+]Cc1ccc(Br)cc1NC1CC1 ZINC000165954588 344247740 /nfs/dbraw/zinc/24/77/40/344247740.db2.gz ZCQCEROZDDXGBL-UHFFFAOYSA-N 1 0 241.132 2.482 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCN(CC)CC1 ZINC000132289142 344297324 /nfs/dbraw/zinc/29/73/24/344297324.db2.gz CFRBCQNEUVAZNW-YPMHNXCESA-N 1 0 210.365 2.249 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400075536 344278578 /nfs/dbraw/zinc/27/85/78/344278578.db2.gz OCBUCINDWPHLGN-TYUFSLCMSA-N 1 0 238.375 2.056 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000228187236 259374928 /nfs/dbraw/zinc/37/49/28/259374928.db2.gz GLDSCMYJYQBWQM-HKUMRIAESA-N 1 0 222.376 2.390 10 0 BEAERO CC[C@H]1CN(C[C@H]([NH3+])CC(C)C)CCS1 ZINC000133067250 344313125 /nfs/dbraw/zinc/31/31/25/344313125.db2.gz UCLVNBSPYMTYRA-NEPJUHHUSA-N 1 0 230.421 2.187 10 0 BEAERO CC1(C)CC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000133125591 344313732 /nfs/dbraw/zinc/31/37/32/344313732.db2.gz GIUAJCCNPLIPLG-LLVKDONJSA-N 1 0 211.349 2.317 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H](CCO)C(C)C ZINC000133293033 344316915 /nfs/dbraw/zinc/31/69/15/344316915.db2.gz LQWQCQQNZBJGGV-RYUDHWBXSA-N 1 0 201.354 2.419 10 0 BEAERO CSCCCC[NH2+][C@@H]1CCSC1 ZINC000133596215 344320052 /nfs/dbraw/zinc/32/00/52/344320052.db2.gz YSDIQVQRDIAGKS-SECBINFHSA-N 1 0 205.392 2.225 10 0 BEAERO C[C@H]1C[C@H](C)[N@H+](CC(=O)C2CCCC2)C1 ZINC000158061122 344332476 /nfs/dbraw/zinc/33/24/76/344332476.db2.gz GTBXIQCGTYUWDQ-QWRGUYRKSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](CC(=O)C2CCCC2)C1 ZINC000158060919 344332527 /nfs/dbraw/zinc/33/25/27/344332527.db2.gz GTBXIQCGTYUWDQ-MNOVXSKESA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H](C[NH3+])C1(O)c2ccccc2-c2ccccc21 ZINC000002018937 362383565 /nfs/dbraw/zinc/38/35/65/362383565.db2.gz AAUPTROTTCYMJN-LLVKDONJSA-N 1 0 239.318 2.498 10 0 BEAERO CCCCCC[C@H]([C@H](C)O)n1cnc(C[NH3+])c1 ZINC000028217871 344353108 /nfs/dbraw/zinc/35/31/08/344353108.db2.gz YSOLMNPLEMKSDU-WCQYABFASA-N 1 0 239.363 2.234 10 0 BEAERO [NH3+]C[C@H](F)[C@@H]1CCOC2(CCCC2)C1 ZINC000158071330 344394212 /nfs/dbraw/zinc/39/42/12/344394212.db2.gz DCIYNAVMZCJZSA-ZJUUUORDSA-N 1 0 201.285 2.023 10 0 BEAERO CC[C@H](O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000042437070 344453240 /nfs/dbraw/zinc/45/32/40/344453240.db2.gz WBAGEJKCWYSMRP-LBPRGKRZSA-N 1 0 211.280 2.028 10 0 BEAERO N#Cc1ccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000381044101 344472264 /nfs/dbraw/zinc/47/22/64/344472264.db2.gz WQOLDCYPDKAMKG-ZFWWWQNUSA-N 1 0 241.338 2.123 10 0 BEAERO CCC1([NH+]2CCNCC2)CCC(C)CC1 ZINC000107151275 344479730 /nfs/dbraw/zinc/47/97/30/344479730.db2.gz OIURXYCQTGSZAQ-UHFFFAOYSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000330268353 537847844 /nfs/dbraw/zinc/84/78/44/537847844.db2.gz RCVJWXRCFCWNFE-USWWRNFRSA-N 1 0 234.347 2.424 10 0 BEAERO F[C@]1(CC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000158097626 344541912 /nfs/dbraw/zinc/54/19/12/344541912.db2.gz ZSEGOSDZCWHESW-MNOVXSKESA-N 1 0 201.285 2.037 10 0 BEAERO F[C@@]1(CC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000158097349 344542011 /nfs/dbraw/zinc/54/20/11/344542011.db2.gz ZSEGOSDZCWHESW-GHMZBOCLSA-N 1 0 201.285 2.037 10 0 BEAERO F[C@H](Cc1nccs1)C1CC[NH2+]CC1 ZINC000158138885 344551557 /nfs/dbraw/zinc/55/15/57/344551557.db2.gz VEEQBKPULDTLHD-SECBINFHSA-N 1 0 214.309 2.023 10 0 BEAERO CC(C)OCC1(F)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000158200196 344562518 /nfs/dbraw/zinc/56/25/18/344562518.db2.gz RMMCUXFYZSLCJR-ZACCUICWSA-N 1 0 201.285 2.034 10 0 BEAERO C[C@@](F)(C[NH3+])Cc1cc(F)ccc1F ZINC000158231997 344569827 /nfs/dbraw/zinc/56/98/27/344569827.db2.gz PIXORBAHICTHMX-JTQLQIEISA-N 1 0 203.207 2.194 10 0 BEAERO CC[C@@H]([NH2+]C[C@](C)(O)CCOC)C(C)(C)C ZINC000309421587 347058927 /nfs/dbraw/zinc/05/89/27/347058927.db2.gz DQTXBABSQFRZDA-DGCLKSJQSA-N 1 0 231.380 2.188 10 0 BEAERO CC[C@](F)(C[NH3+])c1cc(F)cc(F)c1 ZINC000158325479 344597230 /nfs/dbraw/zinc/59/72/30/344597230.db2.gz GZTDFCGDTSHWAJ-JTQLQIEISA-N 1 0 203.207 2.498 10 0 BEAERO F[C@@H](Cc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000158262160 344576546 /nfs/dbraw/zinc/57/65/46/344576546.db2.gz DLOWSTKRKBEXPR-BDAKNGLRSA-N 1 0 214.309 2.023 10 0 BEAERO [NH3+][C@H]1CC[C@](F)(CC2CCOCC2)C1 ZINC000158286239 344582598 /nfs/dbraw/zinc/58/25/98/344582598.db2.gz RLEHFKCDMHXIBQ-QWRGUYRKSA-N 1 0 201.285 2.023 10 0 BEAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400386593 537853743 /nfs/dbraw/zinc/85/37/43/537853743.db2.gz NJUVMKOCGYUMAS-MFKMUULPSA-N 1 0 219.332 2.351 10 0 BEAERO C[N@H+](C[C@@H]1CCC(C)(C)C1=O)C1CCC1 ZINC000127817927 344659842 /nfs/dbraw/zinc/65/98/42/344659842.db2.gz IWACAWCDBYEHEZ-JTQLQIEISA-N 1 0 209.333 2.476 10 0 BEAERO CC[C@]1([C@H]2CC2(C)C)[NH2+]CCc2nc[nH]c21 ZINC000400399308 537854520 /nfs/dbraw/zinc/85/45/20/537854520.db2.gz SEAWKWRPRJIUPS-GXFFZTMASA-N 1 0 219.332 2.207 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000221281015 344719922 /nfs/dbraw/zinc/71/99/22/344719922.db2.gz YOAPCPHPXBDIGJ-UHFFFAOYSA-N 1 0 207.321 2.388 10 0 BEAERO CCc1nnsc1[C@@H]([NH3+])C1CCCC1 ZINC000158718617 344731239 /nfs/dbraw/zinc/73/12/39/344731239.db2.gz HMFIMUFHBLANBT-VIFPVBQESA-N 1 0 211.334 2.291 10 0 BEAERO CCNc1cc(NCC(F)F)cc[nH+]1 ZINC000227666076 344735707 /nfs/dbraw/zinc/73/57/07/344735707.db2.gz BTNKSBFYBYGHPL-UHFFFAOYSA-N 1 0 201.220 2.190 10 0 BEAERO CCCn1cc(CNCc2cccc(C)n2)cn1 ZINC000116914318 344738042 /nfs/dbraw/zinc/73/80/42/344738042.db2.gz IOHYGTFTAKSQJF-UHFFFAOYSA-N 1 0 244.342 2.286 10 0 BEAERO Cc1ccc(Cl)cc1N1CC[C@@H]([NH3+])C1 ZINC000033426898 344741497 /nfs/dbraw/zinc/74/14/97/344741497.db2.gz MYAUNICNUSWRMO-SNVBAGLBSA-N 1 0 210.708 2.186 10 0 BEAERO OCc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000231512349 344745458 /nfs/dbraw/zinc/74/54/58/344745458.db2.gz QFILDJGXACMQNJ-ZDUSSCGKSA-N 1 0 205.301 2.384 10 0 BEAERO CC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050273114 344746573 /nfs/dbraw/zinc/74/65/73/344746573.db2.gz XDVKIDSYILFDGE-CQSZACIVSA-N 1 0 217.312 2.455 10 0 BEAERO C[C@@H]1CCC[C@H](n2cnc(C[NH3+])c2)[C@@H]1C ZINC000300720924 537855530 /nfs/dbraw/zinc/85/55/30/537855530.db2.gz CKWOTZLRTMXXQP-FOGDFJRCSA-N 1 0 207.321 2.339 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049661771 178713463 /nfs/dbraw/zinc/71/34/63/178713463.db2.gz NQCCIGMQNYHMBP-GFCCVEGCSA-N 1 0 204.317 2.041 10 0 BEAERO Cc1ccc(N2CC[NH2+][C@H](C)CC2)cc1F ZINC000049661475 178714269 /nfs/dbraw/zinc/71/42/69/178714269.db2.gz MEEFYJQNUKKRDC-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO Cc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000400416052 537856922 /nfs/dbraw/zinc/85/69/22/537856922.db2.gz AOGLCFWAAGAWLD-LLVKDONJSA-N 1 0 219.313 2.015 10 0 BEAERO CS[C@@H]1CCC[C@@H]([NH+]2CCC(=O)CC2)C1 ZINC000235143018 344819111 /nfs/dbraw/zinc/81/91/11/344819111.db2.gz FNMIOEMWSJDBIL-ZYHUDNBSSA-N 1 0 227.373 2.326 10 0 BEAERO CSC1(CNC2=[NH+]CCCS2)CCC1 ZINC000235214841 344846772 /nfs/dbraw/zinc/84/67/72/344846772.db2.gz KVWOVKYCKXQIHO-UHFFFAOYSA-N 1 0 230.402 2.355 10 0 BEAERO CSC1(C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000235230771 344852979 /nfs/dbraw/zinc/85/29/79/344852979.db2.gz IFULDPCBQUALBI-JTQLQIEISA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)=C[C@](C)(F)C[C@@H]1COCC[NH2+]1 ZINC000166351355 344870803 /nfs/dbraw/zinc/87/08/03/344870803.db2.gz HXQIMFBUPNYITM-MNOVXSKESA-N 1 0 201.285 2.059 10 0 BEAERO CC(C)CNc1ncc(C[NH3+])cc1Cl ZINC000166374908 344880131 /nfs/dbraw/zinc/88/01/31/344880131.db2.gz SYTWKUXMFYCKDM-UHFFFAOYSA-N 1 0 213.712 2.262 10 0 BEAERO Cc1cc(Br)cc(NC(N)=[NH2+])c1 ZINC000144792367 344957708 /nfs/dbraw/zinc/95/77/08/344957708.db2.gz CSFWFOSDQHFDBP-UHFFFAOYSA-N 1 0 228.093 2.063 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCSC2)S1 ZINC000224675733 344966262 /nfs/dbraw/zinc/96/62/62/344966262.db2.gz IJJBETIOWBEQEH-IWSPIJDZSA-N 1 0 203.376 2.181 10 0 BEAERO CC(C)[C@H]1CC[N@H+](C[C@@H]2CCCC2=O)C1 ZINC000166648665 344950664 /nfs/dbraw/zinc/95/06/64/344950664.db2.gz HNBLJIWPRKSHQA-RYUDHWBXSA-N 1 0 209.333 2.334 10 0 BEAERO Cc1ccc(O)c(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000094574280 178800708 /nfs/dbraw/zinc/80/07/08/178800708.db2.gz IKMABTADARCGIM-GHMZBOCLSA-N 1 0 248.326 2.014 10 0 BEAERO Cc1cc(C(=[NH2+])NO)cc(C)c1Br ZINC000145110942 345047890 /nfs/dbraw/zinc/04/78/90/345047890.db2.gz WSRJFPAYCQCDMB-UHFFFAOYSA-N 1 0 243.104 2.370 10 0 BEAERO Cc1cc(C)n(C[C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC000011849812 345032952 /nfs/dbraw/zinc/03/29/52/345032952.db2.gz IMWRALBWCZTLOA-CYBMUJFWSA-N 1 0 233.290 2.339 10 0 BEAERO C[C@@H](C[NH3+])c1nc(-c2ccc[nH]2)cs1 ZINC000011887290 345053359 /nfs/dbraw/zinc/05/33/59/345053359.db2.gz ANDXUVAFKNCSLM-ZETCQYMHSA-N 1 0 207.302 2.200 10 0 BEAERO CC[C@@H]([NH3+])Cc1ncccc1Br ZINC000044409511 345054272 /nfs/dbraw/zinc/05/42/72/345054272.db2.gz DDDHLZDZJSCYRV-SSDOTTSWSA-N 1 0 229.121 2.124 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NCc1nccs1 ZINC000082432784 345059604 /nfs/dbraw/zinc/05/96/04/345059604.db2.gz XPAZOPZXIXFRNS-LLVKDONJSA-N 1 0 241.404 2.209 10 0 BEAERO Cc1cc2c(cc1Br)OC[C@@H]2[NH3+] ZINC000238488528 345061991 /nfs/dbraw/zinc/06/19/91/345061991.db2.gz NDZDEGOVDOMVPP-QMMMGPOBSA-N 1 0 228.089 2.150 10 0 BEAERO COc1ccc2c(c1)C[C@H]1[NH2+]CCC[C@@H]1C2 ZINC000212988631 345120599 /nfs/dbraw/zinc/12/05/99/345120599.db2.gz OPFCGLLSLLZRQA-BXUZGUMPSA-N 1 0 217.312 2.162 10 0 BEAERO [NH3+]Cc1nccc(Cl)c1OC(F)(F)F ZINC000238610914 345092191 /nfs/dbraw/zinc/09/21/91/345092191.db2.gz ONGRAGNLKCQVGG-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO [NH3+][C@@H](c1coc(Br)c1)C1CC1 ZINC000238668422 345105132 /nfs/dbraw/zinc/10/51/32/345105132.db2.gz VCEWOBABOFSIBF-MRVPVSSYSA-N 1 0 216.078 2.452 10 0 BEAERO C[C@H]1CCCN(c2cc(N)[nH+]c(C3CC3)n2)C1 ZINC000126864325 345143371 /nfs/dbraw/zinc/14/33/71/345143371.db2.gz WEVQFEPIPKRNNV-VIFPVBQESA-N 1 0 232.331 2.173 10 0 BEAERO C[C@H](c1ccsc1)N1CC[NH2+][C@@H](C)C1 ZINC000225357877 345145533 /nfs/dbraw/zinc/14/55/33/345145533.db2.gz ARWAAHWMODRQBO-VHSXEESVSA-N 1 0 210.346 2.103 10 0 BEAERO Cc1cccc(C(=O)C(C)(C)C[NH3+])c1C ZINC000226788598 345226827 /nfs/dbraw/zinc/22/68/27/345226827.db2.gz KXXAZHVKFQJSHI-UHFFFAOYSA-N 1 0 205.301 2.471 10 0 BEAERO Cc1ccc(F)c([C@H]2C[C@@H]([NH3+])CCN2C)c1 ZINC000675054086 537891175 /nfs/dbraw/zinc/89/11/75/537891175.db2.gz LPOZPQDTMCCVBX-GXFFZTMASA-N 1 0 222.307 2.228 10 0 BEAERO c1nc2c([nH]1)[C@@H](C1CCCCC1)[NH2+]CC2 ZINC000071478806 537894078 /nfs/dbraw/zinc/89/40/78/537894078.db2.gz QYCAPCVZIYWAAR-LLVKDONJSA-N 1 0 205.305 2.177 10 0 BEAERO Cc1ccc(C[NH2+]CC2(CCO)CC2)cc1 ZINC000133074736 345359165 /nfs/dbraw/zinc/35/91/65/345359165.db2.gz FEEIDVMKMKADJF-UHFFFAOYSA-N 1 0 219.328 2.247 10 0 BEAERO Cc1ccc([C@@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000032010495 178868867 /nfs/dbraw/zinc/86/88/67/178868867.db2.gz TVDQUEAXDYHWIO-QWHCGFSZSA-N 1 0 205.301 2.028 10 0 BEAERO Cc1cc([C@H](O)[C@@H]([NH3+])CC(C)C)cc(C)c1O ZINC000054929297 345565600 /nfs/dbraw/zinc/56/56/00/345565600.db2.gz OAGXCCZCPKDGDZ-JSGCOSHPSA-N 1 0 237.343 2.416 10 0 BEAERO Cc1ccc([C@H](C)[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000104331068 178883842 /nfs/dbraw/zinc/88/38/42/178883842.db2.gz ORAVXZSBMINBMU-RYUDHWBXSA-N 1 0 235.327 2.430 10 0 BEAERO Cc1ccc([C@H]([NH3+])CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022566842 178907541 /nfs/dbraw/zinc/90/75/41/178907541.db2.gz GPAZRWZZIBWEGW-VNHYZAJKSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1ccc([C@H](C[NH3+])CCC(=O)NC2CC2)cc1 ZINC000076631746 178902867 /nfs/dbraw/zinc/90/28/67/178902867.db2.gz VIXAQJUMPANNGT-ZDUSSCGKSA-N 1 0 246.354 2.096 10 0 BEAERO C[C@H](c1ccco1)[N@@H+]1CCCC[C@H]1CO ZINC000253606228 345692006 /nfs/dbraw/zinc/69/20/06/345692006.db2.gz KNVFRZBZYOLLJH-MNOVXSKESA-N 1 0 209.289 2.187 10 0 BEAERO Clc1ccc(C2(N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000215906568 345742282 /nfs/dbraw/zinc/74/22/82/345742282.db2.gz BDAKWFAWRONPRE-GFCCVEGCSA-N 1 0 236.746 2.281 10 0 BEAERO Cc1ccc([C@H](C)CN[C@@H]2CC[NH2+]C2)cc1 ZINC000215652741 345742471 /nfs/dbraw/zinc/74/24/71/345742471.db2.gz UZXQTQYKDAEPGR-TZMCWYRMSA-N 1 0 218.344 2.050 10 0 BEAERO c1ccc2c(c1)CC[C@H](C[NH+]1CCOCC1)C2 ZINC000218910681 345745252 /nfs/dbraw/zinc/74/52/52/345745252.db2.gz VMYRIMCARBJRFR-ZDUSSCGKSA-N 1 0 231.339 2.124 10 0 BEAERO O=Cc1ccc(OCC23CC[NH+](CC2)CC3)cc1 ZINC000113346531 345753496 /nfs/dbraw/zinc/75/34/96/345753496.db2.gz LZHKXNDEKPGQEV-UHFFFAOYSA-N 1 0 245.322 2.364 10 0 BEAERO CCC(CC)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172060861 535005540 /nfs/dbraw/zinc/00/55/40/535005540.db2.gz CKVPKYGIIPPLEB-WCQYABFASA-N 1 0 238.375 2.118 10 0 BEAERO [NH3+]CC[C@@H](CC(F)(F)F)C(F)(F)F ZINC000082718064 537908094 /nfs/dbraw/zinc/90/80/94/537908094.db2.gz FPCXUBGNYSHCCI-BYPYZUCNSA-N 1 0 209.133 2.466 10 0 BEAERO CCN1CCOC[C@@H]1c1ccccc1OC ZINC000221533007 345736687 /nfs/dbraw/zinc/73/66/87/345736687.db2.gz XNHJLVZQTQAVEB-GFCCVEGCSA-N 1 0 221.300 2.088 10 0 BEAERO CC[C@H](C1=[NH+]CCN1)c1ccc(C)cc1 ZINC000114912601 345807507 /nfs/dbraw/zinc/80/75/07/345807507.db2.gz KQSNSPDGIFHDEL-LBPRGKRZSA-N 1 0 202.301 2.490 10 0 BEAERO [NH3+]CC1([C@H](O)c2ccsc2Cl)CC1 ZINC000306267811 537910499 /nfs/dbraw/zinc/91/04/99/537910499.db2.gz HTSZHCCJLKZITE-SSDOTTSWSA-N 1 0 217.721 2.174 10 0 BEAERO C[C@@H]1CCCc2nc([C@H]3CCC[NH2+]C3)cn21 ZINC000258246657 345782534 /nfs/dbraw/zinc/78/25/34/345782534.db2.gz HMLPXJGJQGOZAD-MNOVXSKESA-N 1 0 219.332 2.247 10 0 BEAERO C[C@H]1C[C@H](C(F)(F)F)n2cc[nH+]c2N1 ZINC000235704729 345784362 /nfs/dbraw/zinc/78/43/62/345784362.db2.gz GQXRHBQJLRNERR-NTSWFWBYSA-N 1 0 205.183 2.191 10 0 BEAERO NC(=[NH2+])[C@H](O[C@@H]1CCCCO1)c1ccccc1 ZINC000034361503 345822247 /nfs/dbraw/zinc/82/22/47/345822247.db2.gz YCRRNSOBYPJWGY-VXGBXAGGSA-N 1 0 234.299 2.207 10 0 BEAERO CC1(C)C[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000300358533 345852696 /nfs/dbraw/zinc/85/26/96/345852696.db2.gz ICTSTSZCNKMTSM-KKOKHZNYSA-N 1 0 223.360 2.436 10 0 BEAERO Cc1cccc2c1CC[NH2+][C@H]2CN1CCCC1 ZINC000034426620 345832852 /nfs/dbraw/zinc/83/28/52/345832852.db2.gz FUIUUKVILHNGAG-HNNXBMFYSA-N 1 0 230.355 2.278 10 0 BEAERO CCC[N@@H+]1Cc2cccc(N)c2NC[C@@H]1C ZINC000034492141 345835579 /nfs/dbraw/zinc/83/55/79/345835579.db2.gz UORJFFQIRZRTRA-JTQLQIEISA-N 1 0 219.332 2.295 10 0 BEAERO NC(=[NH2+])[C@@H](O[C@H]1CCCCO1)c1ccccc1 ZINC000137331765 345840663 /nfs/dbraw/zinc/84/06/63/345840663.db2.gz YCRRNSOBYPJWGY-RYUDHWBXSA-N 1 0 234.299 2.207 10 0 BEAERO O=C1Nc2ccccc2[C@@H]1C[C@H]1CCCC[NH2+]1 ZINC000143420760 345865415 /nfs/dbraw/zinc/86/54/15/345865415.db2.gz UXKSDGGMZXSNQZ-PWSUYJOCSA-N 1 0 230.311 2.255 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]1[NH3+] ZINC000306821903 537918414 /nfs/dbraw/zinc/91/84/14/537918414.db2.gz LYIRMCGGGSNXAJ-GARJFASQSA-N 1 0 240.347 2.123 10 0 BEAERO C[C@@H](c1cccs1)[N@@H+]1CC[C@H](CO)C1 ZINC000082945844 345913569 /nfs/dbraw/zinc/91/35/69/345913569.db2.gz KNESTDLOKWBUDX-UWVGGRQHSA-N 1 0 211.330 2.123 10 0 BEAERO C[C@H](C(=O)c1ccsc1)[C@H]1CCC[NH2+]1 ZINC000307520282 537922873 /nfs/dbraw/zinc/92/28/73/537922873.db2.gz XPRVJADXBIMRPW-WCBMZHEXSA-N 1 0 209.314 2.319 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)O1 ZINC000449305837 201863654 /nfs/dbraw/zinc/86/36/54/201863654.db2.gz UNFHQPXYSDFIDW-WHCZJHEKSA-N 1 0 241.375 2.346 10 0 BEAERO C[C@H]1O[C@@H](C)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000449305838 201863866 /nfs/dbraw/zinc/86/38/66/201863866.db2.gz UNFHQPXYSDFIDW-YGEZULPYSA-N 1 0 241.375 2.346 10 0 BEAERO CSc1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061857035 345963641 /nfs/dbraw/zinc/96/36/41/345963641.db2.gz QLOKQRPWXFNHLC-UHFFFAOYSA-N 1 0 200.694 2.346 10 0 BEAERO Cc1nc(N[C@@H]2CCCC[C@H]2C)cc(N)[nH+]1 ZINC000087808217 345941897 /nfs/dbraw/zinc/94/18/97/345941897.db2.gz QYJBYPDUTCEYJY-PSASIEDQSA-N 1 0 220.320 2.358 10 0 BEAERO CNc1cc(NCc2ccco2)nc(C)[nH+]1 ZINC000087806792 345942253 /nfs/dbraw/zinc/94/22/53/345942253.db2.gz PYFWSYMRHQZCHU-UHFFFAOYSA-N 1 0 218.260 2.032 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](N)c1ccccc1 ZINC000149934342 346164655 /nfs/dbraw/zinc/16/46/55/346164655.db2.gz CUCXWIFNYJIXIR-OUCADQQQSA-N 1 0 218.344 2.417 10 0 BEAERO [NH3+]C[C@@](O)(C1=CCCCCC1)C(F)(F)F ZINC000675054638 537951735 /nfs/dbraw/zinc/95/17/35/537951735.db2.gz WITXWJHSCFTOTB-SECBINFHSA-N 1 0 223.238 2.129 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@@H](n2cnc(C[NH3+])c2)C1 ZINC000669375223 537953049 /nfs/dbraw/zinc/95/30/49/537953049.db2.gz VOABZTQMTFYKNN-SCVCMEIPSA-N 1 0 207.321 2.339 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccoc1 ZINC000245850551 537956409 /nfs/dbraw/zinc/95/64/09/537956409.db2.gz BHDLREMRIPJQDH-ZMLRMANQSA-N 1 0 209.289 2.234 10 0 BEAERO [NH3+]C[C@@H](O)c1cc(Cl)sc1Cl ZINC000236204981 346210041 /nfs/dbraw/zinc/21/00/41/346210041.db2.gz CPOLDZJVMKFDNN-SCSAIBSYSA-N 1 0 212.101 2.047 10 0 BEAERO Nc1ccc2nc(C[NH+]3CCCC3)ccc2c1 ZINC000136267703 346182121 /nfs/dbraw/zinc/18/21/21/346182121.db2.gz VJKXQVIKIJCJQZ-UHFFFAOYSA-N 1 0 227.311 2.413 10 0 BEAERO Cc1cccc(C(=O)C[NH2+]C2CC2)c1C ZINC000082531949 179004725 /nfs/dbraw/zinc/00/47/25/179004725.db2.gz FGYNQASDODDAAM-UHFFFAOYSA-N 1 0 203.285 2.238 10 0 BEAERO [NH3+][C@@H]1CCCCC[C@@H]1Sc1ncc[nH]1 ZINC000236290606 346220948 /nfs/dbraw/zinc/22/09/48/346220948.db2.gz UURBEXCYBFWJKY-BDAKNGLRSA-N 1 0 211.334 2.162 10 0 BEAERO FCCNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034191894 346222186 /nfs/dbraw/zinc/22/21/86/346222186.db2.gz RGCIBHZTGYXCKV-CQSZACIVSA-N 1 0 236.334 2.068 10 0 BEAERO [NH3+][C@H](c1ccoc1Br)C1=CCCO1 ZINC000236307411 346223305 /nfs/dbraw/zinc/22/33/05/346223305.db2.gz GNLVKTSHYYZJLN-MRVPVSSYSA-N 1 0 244.088 2.346 10 0 BEAERO Cc1ncc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000628260638 346260280 /nfs/dbraw/zinc/26/02/80/346260280.db2.gz PBUPNIORXAXGFD-NXEZZACHSA-N 1 0 238.331 2.276 10 0 BEAERO CC[C@@H](C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377914 537966828 /nfs/dbraw/zinc/96/68/28/537966828.db2.gz ZMXXEQCJJAWTQK-NFOMZHRRSA-N 1 0 249.354 2.082 10 0 BEAERO Cc1cccc(C)c1C[C@H](C)C1=[NH+]CCN1 ZINC000027656316 179038318 /nfs/dbraw/zinc/03/83/18/179038318.db2.gz IWPRDDXJQGBONK-LBPRGKRZSA-N 1 0 216.328 2.484 10 0 BEAERO COC(=O)[C@@H]1CCCCN1CC1=CCCC1 ZINC000401154413 346329689 /nfs/dbraw/zinc/32/96/89/346329689.db2.gz GDOQLKPTWDMKLX-LBPRGKRZSA-N 1 0 223.316 2.124 10 0 BEAERO Cc1cccc(C)c1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282062017 179039306 /nfs/dbraw/zinc/03/93/06/179039306.db2.gz BNNBJPRSRWEPKP-OCCSQVGLSA-N 1 0 246.354 2.060 10 0 BEAERO O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000381553179 346334577 /nfs/dbraw/zinc/33/45/77/346334577.db2.gz NNSZCHMOVFQAMB-ZDEQEGDKSA-N 1 0 229.339 2.408 10 0 BEAERO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1CCC1 ZINC000052210190 179048339 /nfs/dbraw/zinc/04/83/39/179048339.db2.gz GMLXRIPGYBXDPF-CQSZACIVSA-N 1 0 249.354 2.185 10 0 BEAERO Cc1cccc(CN(C)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000042435791 179069445 /nfs/dbraw/zinc/06/94/45/179069445.db2.gz RFGHBQMYXGEXJS-UONOGXRCSA-N 1 0 218.344 2.307 10 0 BEAERO Cc1cccc(CN(C)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000042435792 179071586 /nfs/dbraw/zinc/07/15/86/179071586.db2.gz RFGHBQMYXGEXJS-KBPBESRZSA-N 1 0 218.344 2.307 10 0 BEAERO Cc1cccc(CN2CC[NH2+][C@@H](C)CC2)c1 ZINC000049662240 179078595 /nfs/dbraw/zinc/07/85/95/179078595.db2.gz PXATUJQXWUZOQG-ZDUSSCGKSA-N 1 0 218.344 2.179 10 0 BEAERO Cc1cccc(CN2CC[NH2+]CC[C@H]2C)c1 ZINC000062609138 179078785 /nfs/dbraw/zinc/07/87/85/179078785.db2.gz YJWFVGCUHPHLIF-CYBMUJFWSA-N 1 0 218.344 2.179 10 0 BEAERO COc1nsc(OC)c1[C@H]1CC[NH2+][C@H](C)C1 ZINC000669379509 537980022 /nfs/dbraw/zinc/98/00/22/537980022.db2.gz FBGGNBSDNNWXJW-SFYZADRCSA-N 1 0 242.344 2.016 10 0 BEAERO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)C(C)(C)C ZINC000186185071 346496922 /nfs/dbraw/zinc/49/69/22/346496922.db2.gz FPKZMRDAKIEHRJ-LLVKDONJSA-N 1 0 243.395 2.014 10 0 BEAERO Cc1cccc(C[C@H]([NH3+])c2cnccn2)c1 ZINC000037467131 179105850 /nfs/dbraw/zinc/10/58/50/179105850.db2.gz GLNFUIWFLWWHPY-LBPRGKRZSA-N 1 0 213.284 2.028 10 0 BEAERO CCS[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000300379711 346531173 /nfs/dbraw/zinc/53/11/73/346531173.db2.gz CBSRFJITOTVQQK-KXNHARMFSA-N 1 0 229.389 2.164 10 0 BEAERO O=C1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000725242217 537983716 /nfs/dbraw/zinc/98/37/16/537983716.db2.gz UWZOPXHPSLKORD-UHFFFAOYSA-N 1 0 221.325 2.232 10 0 BEAERO Cc1cccc(N(C)C[C@@H]2CCC[NH2+]2)c1 ZINC000049986739 179115404 /nfs/dbraw/zinc/11/54/04/179115404.db2.gz YDQXAOQXXKUWGR-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1cccc(N(CCC[NH3+])C(=O)C(C)C)c1 ZINC000020232603 179118100 /nfs/dbraw/zinc/11/81/00/179118100.db2.gz GUVSBCZPORZWSP-UHFFFAOYSA-N 1 0 234.343 2.333 10 0 BEAERO Cc1cccc(N(C)[C@H](C[NH3+])C2CCOCC2)c1 ZINC000052177983 179118546 /nfs/dbraw/zinc/11/85/46/179118546.db2.gz MRGDQUZVWDVHFX-OAHLLOKOSA-N 1 0 248.370 2.185 10 0 BEAERO Cc1nc(C[NH3+])sc1-c1cncs1 ZINC000669379833 537982973 /nfs/dbraw/zinc/98/29/73/537982973.db2.gz HIYLCLZIZFXUNY-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO CCOc1ccccc1CN1CCC([NH2+]C)CC1 ZINC000202078998 346585800 /nfs/dbraw/zinc/58/58/00/346585800.db2.gz UHRWMZLIFHWLFZ-UHFFFAOYSA-N 1 0 248.370 2.269 10 0 BEAERO Cc1cccc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000051360561 179122707 /nfs/dbraw/zinc/12/27/07/179122707.db2.gz QUNUDDQZAUTLBR-STQMWFEESA-N 1 0 231.343 2.111 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1ccccc1Br ZINC000164019037 346586841 /nfs/dbraw/zinc/58/68/41/346586841.db2.gz JSIMUSZIPMEEQA-SSDOTTSWSA-N 1 0 242.116 2.369 10 0 BEAERO C[C@@H]([NH3+])C[C@H](O)c1ccc(Br)cc1 ZINC000164142439 346592602 /nfs/dbraw/zinc/59/26/02/346592602.db2.gz NAVJDCUCIUEXMA-XCBNKYQSSA-N 1 0 244.132 2.220 10 0 BEAERO C[C@]1([C@H]([NH3+])Cc2nccs2)CCCS1 ZINC000164533207 346607981 /nfs/dbraw/zinc/60/79/81/346607981.db2.gz DTLZRWOQRJDGOO-PSASIEDQSA-N 1 0 228.386 2.299 10 0 BEAERO C[C@@](O)(CC[NH3+])c1cc(F)ccc1Cl ZINC000164529826 346608024 /nfs/dbraw/zinc/60/80/24/346608024.db2.gz GRUHJGMODMOYHI-SNVBAGLBSA-N 1 0 217.671 2.035 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ncnc2sccc21 ZINC000165730211 346657171 /nfs/dbraw/zinc/65/71/71/346657171.db2.gz JZWYWPKGPNKIKS-YUMQZZPRSA-N 1 0 236.344 2.229 10 0 BEAERO Cc1cccc(NC(=O)C[C@@H](C)C[NH3+])c1C ZINC000076610227 179129942 /nfs/dbraw/zinc/12/99/42/179129942.db2.gz XYZWVYKTJAFDSU-SECBINFHSA-N 1 0 220.316 2.227 10 0 BEAERO Cc1cccc(NC[C@H]2CCCC[C@H]2O)[nH+]1 ZINC000082997474 179148558 /nfs/dbraw/zinc/14/85/58/179148558.db2.gz KCQHYCATZPRQIU-VXGBXAGGSA-N 1 0 220.316 2.353 10 0 BEAERO CCCC[C@@]1(CC)[NH2+]CCc2ncn(C)c21 ZINC000725242712 537986046 /nfs/dbraw/zinc/98/60/46/537986046.db2.gz MUFXFAYFEZSPNJ-CYBMUJFWSA-N 1 0 221.348 2.361 10 0 BEAERO C[NH2+][C@H](C)C(=O)NCCCC1CCCCC1 ZINC000580657985 365853991 /nfs/dbraw/zinc/85/39/91/365853991.db2.gz FQAVIOKZPIDJQU-LLVKDONJSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1cccc(N[C@@H](C)CCCC[NH3+])n1 ZINC000336682152 179153785 /nfs/dbraw/zinc/15/37/85/179153785.db2.gz JFKCESPYOMYJHR-JTQLQIEISA-N 1 0 207.321 2.319 10 0 BEAERO Cc1cccc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000051918400 179169457 /nfs/dbraw/zinc/16/94/57/179169457.db2.gz YXOJZFWMONXCLU-LBPRGKRZSA-N 1 0 220.316 2.159 10 0 BEAERO Cc1cccc(OCCN2CCC[NH2+][C@H](C)C2)c1 ZINC000062623412 179165972 /nfs/dbraw/zinc/16/59/72/179165972.db2.gz PWCRVDHFSLXNSM-CQSZACIVSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1cccc(OCCCSC(N)=[NH2+])c1 ZINC000071980705 179166388 /nfs/dbraw/zinc/16/63/88/179166388.db2.gz YPYIPASBDCYYRA-UHFFFAOYSA-N 1 0 224.329 2.391 10 0 BEAERO Cc1cccc(OCCN2CCC[NH2+]CCC2)c1 ZINC000042897914 179166786 /nfs/dbraw/zinc/16/67/86/179166786.db2.gz FQOGIKYQVKBGNH-UHFFFAOYSA-N 1 0 248.370 2.059 10 0 BEAERO Cc1cccc(OC[C@H]2CC[C@H](C[NH3+])O2)c1C ZINC000052654703 179172401 /nfs/dbraw/zinc/17/24/01/179172401.db2.gz MOIFLVLYOKYFDF-CHWSQXEVSA-N 1 0 235.327 2.189 10 0 BEAERO Cc1cccc(Oc2cc(C(N)=[NH2+])ccn2)c1 ZINC000019508326 179175606 /nfs/dbraw/zinc/17/56/06/179175606.db2.gz JISDNUQBGQXACI-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO Cc1cc(F)cc(C(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000167794996 347167828 /nfs/dbraw/zinc/16/78/28/347167828.db2.gz FPCIGIBJEBAKPV-NSHDSACASA-N 1 0 209.264 2.300 10 0 BEAERO Cc1cccc([C@@H](O)[C@H]([NH3+])CC(C)C)c1 ZINC000054929464 179188112 /nfs/dbraw/zinc/18/81/12/179188112.db2.gz PWAIGLAHCUMNNR-CHWSQXEVSA-N 1 0 207.317 2.402 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000133044429 179181880 /nfs/dbraw/zinc/18/18/80/179181880.db2.gz XYKUUYKVFSWHSL-TZMCWYRMSA-N 1 0 246.354 2.266 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000122928316 179182600 /nfs/dbraw/zinc/18/26/00/179182600.db2.gz FZCYAJFTCIVEKR-NWDGAFQWSA-N 1 0 207.317 2.274 10 0 BEAERO Cc1cccc([C@@H](CO)[NH2+]C(C)C)c1C ZINC000043316137 179184595 /nfs/dbraw/zinc/18/45/95/179184595.db2.gz OXFHQXHLGWXFHF-CYBMUJFWSA-N 1 0 207.317 2.335 10 0 BEAERO Cc1cccc([C@@H]([NH2+]C2CCCCC2)C(N)=O)c1 ZINC000037969634 179185992 /nfs/dbraw/zinc/18/59/92/179185992.db2.gz LDULLSYQXDUAQZ-CQSZACIVSA-N 1 0 246.354 2.444 10 0 BEAERO CC(C)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000034597927 347186029 /nfs/dbraw/zinc/18/60/29/347186029.db2.gz PAMGSSLIZHRTEC-JTQLQIEISA-N 1 0 230.352 2.097 10 0 BEAERO Cc1cccc([C@@H]([C@H](C)N)[NH+]2CCCC2)c1 ZINC000042965337 179188888 /nfs/dbraw/zinc/18/88/88/179188888.db2.gz UUKCLRCTMQHDLJ-GXTWGEPZSA-N 1 0 218.344 2.479 10 0 BEAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)c1 ZINC000160249334 179196887 /nfs/dbraw/zinc/19/68/87/179196887.db2.gz ZAYSTHHSEFVCPR-RYUDHWBXSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1cccc([C@@H](O)[C@H]2CCC[NH2+]C2)c1C ZINC000041233256 179189106 /nfs/dbraw/zinc/18/91/06/179189106.db2.gz ZDVSZGMPXCALCN-JSGCOSHPSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1cccc([C@@H]2CN(C3CC3)CC[NH2+]2)c1 ZINC000056894847 179190522 /nfs/dbraw/zinc/19/05/22/179190522.db2.gz AGUNTZZCAUCUHG-AWEZNQCLSA-N 1 0 216.328 2.104 10 0 BEAERO Cc1ccnc(OCc2ccc(C[NH3+])cc2)c1 ZINC000059679460 347229362 /nfs/dbraw/zinc/22/93/62/347229362.db2.gz IDQXEPLIXMSZQZ-UHFFFAOYSA-N 1 0 228.295 2.428 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(O)cc1Br ZINC000221827389 347231971 /nfs/dbraw/zinc/23/19/71/347231971.db2.gz KBWPQWFFMOWRGB-LURJTMIESA-N 1 0 230.105 2.435 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@H]1c1ccc(C)s1 ZINC000250266257 362798352 /nfs/dbraw/zinc/79/83/52/362798352.db2.gz KMRQUXJYTMNNNO-KOLCDFICSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000122928024 179196215 /nfs/dbraw/zinc/19/62/15/179196215.db2.gz FZCYAJFTCIVEKR-NEPJUHHUSA-N 1 0 207.317 2.274 10 0 BEAERO CCCCOC[C@@H](O)C[NH+]1CC(CC)(CC)C1 ZINC000310473064 347288472 /nfs/dbraw/zinc/28/84/72/347288472.db2.gz JFEMJHOJPQTYJR-ZDUSSCGKSA-N 1 0 243.391 2.286 10 0 BEAERO Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC2)c1 ZINC000160249472 179198056 /nfs/dbraw/zinc/19/80/56/179198056.db2.gz ZAYSTHHSEFVCPR-NWDGAFQWSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1cccc([C@H](C[NH3+])N(C)C2CC2)c1C ZINC000043314552 179198791 /nfs/dbraw/zinc/19/87/91/179198791.db2.gz RSMQQFJFSCNKEU-AWEZNQCLSA-N 1 0 218.344 2.397 10 0 BEAERO Cc1cccc([C@H](C[NH3+])OCCOC(C)C)c1 ZINC000042968531 179199115 /nfs/dbraw/zinc/19/91/15/179199115.db2.gz IMCCAWURHAMDEG-AWEZNQCLSA-N 1 0 237.343 2.436 10 0 BEAERO Cc1cccc([C@H](CC[NH3+])C(=O)NCC(C)C)c1 ZINC000076634107 179199246 /nfs/dbraw/zinc/19/92/46/179199246.db2.gz UBPOJBIJVCJPIE-AWEZNQCLSA-N 1 0 248.370 2.200 10 0 BEAERO Cc1cccc([C@H]([NH3+])CC2(C)OCCO2)c1 ZINC000041237202 179200319 /nfs/dbraw/zinc/20/03/19/179200319.db2.gz VEQYSIMQPLHCPH-GFCCVEGCSA-N 1 0 221.300 2.148 10 0 BEAERO Cc1cccc([C@H](CO)[NH2+]C2CC2)c1C ZINC000043316230 179200368 /nfs/dbraw/zinc/20/03/68/179200368.db2.gz QXZNWTQJMAPGQU-ZDUSSCGKSA-N 1 0 205.301 2.089 10 0 BEAERO c1cc2c(o1)[C@@]1(C[C@@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000725242872 537988801 /nfs/dbraw/zinc/98/88/01/537988801.db2.gz MGKWTTNDGRCWHT-GVXVVHGQSA-N 1 0 203.285 2.441 10 0 BEAERO Cc1cccc([C@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000039105603 179202635 /nfs/dbraw/zinc/20/26/35/179202635.db2.gz PSNUJTQHJWGPKJ-WCQYABFASA-N 1 0 207.317 2.415 10 0 BEAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCCOCC2)c1 ZINC000061914201 179203106 /nfs/dbraw/zinc/20/31/06/179203106.db2.gz UPOGXHKVUKWUOM-HIFRSBDPSA-N 1 0 248.370 2.106 10 0 BEAERO Cc1cccc([C@H](Sc2nc[nH]n2)[C@H](C)[NH3+])c1 ZINC000042969600 179203957 /nfs/dbraw/zinc/20/39/57/179203957.db2.gz VNVSOOFPYUQQCM-GXSJLCMTSA-N 1 0 248.355 2.294 10 0 BEAERO Cc1cccc2c(N[C@H](C)CO)cc[nH+]c12 ZINC000127838911 179211784 /nfs/dbraw/zinc/21/17/84/179211784.db2.gz PEMZFOMYWUKCIR-SNVBAGLBSA-N 1 0 216.284 2.336 10 0 BEAERO Cc1cccc2c([C@@H](C[NH3+])N(C)C)c[nH]c21 ZINC000082596842 179211873 /nfs/dbraw/zinc/21/18/73/179211873.db2.gz CEUIXMIYVWQYKE-GFCCVEGCSA-N 1 0 217.316 2.038 10 0 BEAERO C[C@]1(CN2CC[N@@H+]3CCC[C@H]3C2)CCCS1 ZINC000250789661 362821533 /nfs/dbraw/zinc/82/15/33/362821533.db2.gz IBSDPYGDUNCBNZ-QWHCGFSZSA-N 1 0 240.416 2.052 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000193251218 347393964 /nfs/dbraw/zinc/39/39/64/347393964.db2.gz BQKYVUPLDRYBSD-HZSPNIEDSA-N 1 0 243.391 2.284 10 0 BEAERO CC[NH2+][C@H](CC)c1cn(C(C)(C)C)nn1 ZINC000616568635 347452464 /nfs/dbraw/zinc/45/24/64/347452464.db2.gz DDMDTAIADDBMCU-SECBINFHSA-N 1 0 210.325 2.094 10 0 BEAERO Cc1cccc2oc(CC[NH2+]C3CC3)nc21 ZINC000038052690 179232952 /nfs/dbraw/zinc/23/29/52/179232952.db2.gz SQKPUHOYSUUOCS-UHFFFAOYSA-N 1 0 216.284 2.431 10 0 BEAERO c1cc2c(o1)[C@]1(C[C@@H]3CCC[C@H]31)[NH2+]CC2 ZINC000725242870 537990064 /nfs/dbraw/zinc/99/00/64/537990064.db2.gz MGKWTTNDGRCWHT-DMDPSCGWSA-N 1 0 203.285 2.441 10 0 BEAERO C[C@H]1CCCC[N@@H+]1Cc1csc(N)n1 ZINC000036723495 347446135 /nfs/dbraw/zinc/44/61/35/347446135.db2.gz DKLRVBIDGBAVFB-QMMMGPOBSA-N 1 0 211.334 2.100 10 0 BEAERO CC(C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616568404 347447271 /nfs/dbraw/zinc/44/72/71/347447271.db2.gz BFUKOPXYQCFCOB-QWHCGFSZSA-N 1 0 240.391 2.173 10 0 BEAERO CCN(Cc1nnc(C(C)C)n1C)C(C)C ZINC000195432064 347449463 /nfs/dbraw/zinc/44/94/63/347449463.db2.gz QCMIPNPMQOAVDV-UHFFFAOYSA-N 1 0 224.352 2.169 10 0 BEAERO Cc1ccccc1-n1ccc(CC[NH3+])c1 ZINC000028821739 179242106 /nfs/dbraw/zinc/24/21/06/179242106.db2.gz MQJFADBSJHNKPK-UHFFFAOYSA-N 1 0 200.285 2.287 10 0 in-vivo BEAERO CCOC1(C[NH2+]C[C@H](O)C(C)(C)C)CCCC1 ZINC000380112709 365889221 /nfs/dbraw/zinc/88/92/21/365889221.db2.gz LAKTXNSDRAUQPF-LBPRGKRZSA-N 1 0 243.391 2.332 10 0 BEAERO Cc1ccccc1C(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035690774 179250624 /nfs/dbraw/zinc/25/06/24/179250624.db2.gz AEXDPTAYDBPYIC-JSGCOSHPSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1ccccc1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000071508660 179254367 /nfs/dbraw/zinc/25/43/67/179254367.db2.gz NVIJQFQMUSSCSW-LBPRGKRZSA-N 1 0 203.285 2.320 10 0 BEAERO CCc1nc(C)cc(N[C@@H]2CCC[N@@H+](CC)C2)n1 ZINC000302519900 347577422 /nfs/dbraw/zinc/57/74/22/347577422.db2.gz OSQLSEGYWXFNHS-GFCCVEGCSA-N 1 0 248.374 2.244 10 0 BEAERO CCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569364 347649378 /nfs/dbraw/zinc/64/93/78/347649378.db2.gz IRYINHMPXWHZOV-KGLIPLIRSA-N 1 0 246.354 2.048 10 0 BEAERO Cc1ccccc1CCc1nc([C@@H](C)[NH3+])no1 ZINC000051986411 179267847 /nfs/dbraw/zinc/26/78/47/179267847.db2.gz DWSOSQXXLXFNBN-SNVBAGLBSA-N 1 0 231.299 2.183 10 0 BEAERO Cc1ccccc1CN(C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042436031 179269787 /nfs/dbraw/zinc/26/97/87/179269787.db2.gz GQXZYQXXBBFNNQ-UONOGXRCSA-N 1 0 218.344 2.307 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC(O)C1 ZINC000235587859 323152085 /nfs/dbraw/zinc/15/20/85/323152085.db2.gz FIWKEODOPKQLSL-XKGSQUFQSA-N 1 0 211.349 2.172 10 0 BEAERO Nc1ccc(C[NH3+])cc1-c1ccc(F)o1 ZINC000669380802 537992327 /nfs/dbraw/zinc/99/23/27/537992327.db2.gz WQFDSALWZMLOOG-UHFFFAOYSA-N 1 0 206.220 2.127 10 0 BEAERO Cc1ccccc1C[NH2+]Cc1cncnc1 ZINC000054767902 179283638 /nfs/dbraw/zinc/28/36/38/179283638.db2.gz JMEZVTPBVGBMGA-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000343514633 133693416 /nfs/dbraw/zinc/69/34/16/133693416.db2.gz PAZMVGURKXHYRJ-PDWCTOEPSA-N 1 0 241.375 2.205 10 0 BEAERO Cc1ccccc1C[C@H]1CSCC[NH2+]1 ZINC000071510902 179291805 /nfs/dbraw/zinc/29/18/05/179291805.db2.gz MNGPRXZHLWETTG-LBPRGKRZSA-N 1 0 207.342 2.243 10 0 BEAERO Cc1ccccc1C[C@H]([NH3+])c1cnccn1 ZINC000037467135 179292166 /nfs/dbraw/zinc/29/21/66/179292166.db2.gz PJJRNUCVDCTFJU-LBPRGKRZSA-N 1 0 213.284 2.028 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@@H]([N@@H+]2CCNC[C@H]2C)C1 ZINC000669380837 537992697 /nfs/dbraw/zinc/99/26/97/537992697.db2.gz XVXUGSXOPUEMDE-XQHKEYJVSA-N 1 0 210.365 2.105 10 0 BEAERO Cc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019435334 179301565 /nfs/dbraw/zinc/30/15/65/179301565.db2.gz PPLMSTITAAIYEB-VXGBXAGGSA-N 1 0 232.327 2.322 10 0 BEAERO Cc1ccccc1NCCN(C)CCC[NH+](C)C ZINC000104189062 179304932 /nfs/dbraw/zinc/30/49/32/179304932.db2.gz MDZZIMZXIUFSGB-UHFFFAOYSA-N 1 0 249.402 2.290 10 0 BEAERO Cc1ccccc1Oc1nccnc1C[NH3+] ZINC000054378465 179313960 /nfs/dbraw/zinc/31/39/60/179313960.db2.gz OYFFLBWEOLWVDA-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1ccccc1OCC[C@@H](C[NH3+])N1CCCC1 ZINC000019664415 179312146 /nfs/dbraw/zinc/31/21/46/179312146.db2.gz HESMQKDZEOAPEE-AWEZNQCLSA-N 1 0 248.370 2.187 10 0 BEAERO C[C@@H]1CCC[N@H+](CC[C@@H]2CCC2=O)[C@@H]1C ZINC000669381551 537995897 /nfs/dbraw/zinc/99/58/97/537995897.db2.gz NYFNRVZHCZJONM-UTUOFQBUSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1nccn1C[C@H]([NH3+])c1ccccc1C ZINC000023067419 179324510 /nfs/dbraw/zinc/32/45/10/179324510.db2.gz BFOZONSTONXGKD-ZDUSSCGKSA-N 1 0 215.300 2.200 10 0 BEAERO CC1CCN(C[C@@H]2C[C@H](C)C[C@H](C)[NH2+]2)CC1 ZINC000669381537 537995246 /nfs/dbraw/zinc/99/52/46/537995246.db2.gz NKOBGUZTAKNETR-RDBSUJKOSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1ccccc1[C@@H](O)C1CC[NH2+]CC1 ZINC000041213958 179326461 /nfs/dbraw/zinc/32/64/61/179326461.db2.gz DTXDCYDUPKNSPV-ZDUSSCGKSA-N 1 0 205.301 2.028 10 0 BEAERO Cc1ccccc1[C@@H](O)[C@@H]([NH3+])CC(C)C ZINC000054929574 179326829 /nfs/dbraw/zinc/32/68/29/179326829.db2.gz KEYODPLQBUWIQW-QWHCGFSZSA-N 1 0 207.317 2.402 10 0 BEAERO Cc1ccccc1[C@@H](Sc1nc[nH]n1)[C@H](C)[NH3+] ZINC000043040764 179328371 /nfs/dbraw/zinc/32/83/71/179328371.db2.gz LKHNALAGVJEMPM-ONGXEEELSA-N 1 0 248.355 2.294 10 0 BEAERO CC[NH2+]Cc1csnc1OC(C)C ZINC000669381706 537995837 /nfs/dbraw/zinc/99/58/37/537995837.db2.gz SKRMQTOMRQNHQZ-UHFFFAOYSA-N 1 0 200.307 2.040 10 0 BEAERO [NH3+]C[C@H]1c2ccccc2NC(=O)c2ccccc21 ZINC000196686624 347985202 /nfs/dbraw/zinc/98/52/02/347985202.db2.gz UJYSNYBSRZPNDJ-CYBMUJFWSA-N 1 0 238.290 2.343 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2ccccc2C(N)=O)C1 ZINC000616613650 349979519 /nfs/dbraw/zinc/97/95/19/349979519.db2.gz OXFSQHQTULFHAC-NSHDSACASA-N 1 0 246.354 2.373 10 0 BEAERO Cc1ccccc1[C@@H]1Cc2n[nH]cc2[C@@H]([NH3+])C1 ZINC000072415302 179331559 /nfs/dbraw/zinc/33/15/59/179331559.db2.gz SKVIPFUZMQUKSW-GWCFXTLKSA-N 1 0 227.311 2.448 10 0 BEAERO Cc1ccccc1[C@@](C)([NH3+])Cc1cnn(C)c1 ZINC000050541655 179333081 /nfs/dbraw/zinc/33/30/81/179333081.db2.gz HRGRRYNICAWIEC-AWEZNQCLSA-N 1 0 229.327 2.145 10 0 BEAERO Cc1ccccc1[C@H]([C@@H](C)N)[NH+]1CCCC1 ZINC000043033257 179347667 /nfs/dbraw/zinc/34/76/67/179347667.db2.gz WAFPXFYLPSMKFY-OCCSQVGLSA-N 1 0 218.344 2.479 10 0 BEAERO CCCC(=O)N1CC[C@@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616570607 348066165 /nfs/dbraw/zinc/06/61/65/348066165.db2.gz NQOMFLFZGIEKGL-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](C)C(C)(C)C ZINC000616570715 348071415 /nfs/dbraw/zinc/07/14/15/348071415.db2.gz OCRWEWGEGLOWNZ-TUAOUCFPSA-N 1 0 240.391 2.173 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])OC[C@H]1CCOC1 ZINC000043040567 179341481 /nfs/dbraw/zinc/34/14/81/179341481.db2.gz SLLIHGUCPWLPQV-JSGCOSHPSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])OCCOC(C)C ZINC000043039303 179342089 /nfs/dbraw/zinc/34/20/89/179342089.db2.gz DBFUZFUCXMVIQN-AWEZNQCLSA-N 1 0 237.343 2.436 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])CCC(=O)NC(C)C ZINC000076634680 179342161 /nfs/dbraw/zinc/34/21/61/179342161.db2.gz KHWZEFAQXZZSDJ-ZDUSSCGKSA-N 1 0 248.370 2.342 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CC1(C)OCCO1 ZINC000041237194 179343307 /nfs/dbraw/zinc/34/33/07/179343307.db2.gz KVOUUPOGCWJKER-GFCCVEGCSA-N 1 0 221.300 2.148 10 0 BEAERO Cc1ccccc1[C@H](N)C[NH+]1CCCCC1 ZINC000019259009 179344031 /nfs/dbraw/zinc/34/40/31/179344031.db2.gz MWCSCOXFQKSTLB-CQSZACIVSA-N 1 0 218.344 2.481 10 0 BEAERO Cc1ccccc1[C@H](O)[C@@H]([NH3+])CC(C)C ZINC000054929573 179345263 /nfs/dbraw/zinc/34/52/63/179345263.db2.gz KEYODPLQBUWIQW-STQMWFEESA-N 1 0 207.317 2.402 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC1 ZINC000118753946 187385797 /nfs/dbraw/zinc/38/57/97/187385797.db2.gz FQZSISBDNBSVSI-CYBMUJFWSA-N 1 0 238.375 2.262 10 0 BEAERO Cc1cccnc1-c1ncc([C@@H](C)[NH3+])c(C)n1 ZINC000054962664 179355807 /nfs/dbraw/zinc/35/58/07/179355807.db2.gz WXVXREDNQOUGSA-SECBINFHSA-N 1 0 228.299 2.175 10 0 BEAERO Cc1ccccc1[C@H]1[NH2+]CCn2cccc21 ZINC000032500383 179350444 /nfs/dbraw/zinc/35/04/44/179350444.db2.gz PSKNSMKKAVBFAY-CQSZACIVSA-N 1 0 212.296 2.489 10 0 BEAERO Cc1ccccc1[S@](=O)C[C@@H]1CCC[NH2+]C1 ZINC000083296201 179352713 /nfs/dbraw/zinc/35/27/13/179352713.db2.gz YAXUWEAJDSDQSQ-WBMJQRKESA-N 1 0 237.368 2.102 10 0 BEAERO C/C=C(\C)C(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616571036 348094048 /nfs/dbraw/zinc/09/40/48/348094048.db2.gz JDCYPBOEHGVTCZ-VZUCSPMQSA-N 1 0 238.375 2.095 10 0 BEAERO Cc1cccnc1C1(C[NH2+]CC2CC2)CC1 ZINC000368692121 179366289 /nfs/dbraw/zinc/36/62/89/179366289.db2.gz MBJAULNYHXIRFV-UHFFFAOYSA-N 1 0 216.328 2.421 10 0 BEAERO C1CCC([N@@H+]2CCS[C@H]3COCC[C@H]32)C1 ZINC000245628590 192119378 /nfs/dbraw/zinc/11/93/78/192119378.db2.gz PKRDGKSZBSPLPZ-NEPJUHHUSA-N 1 0 227.373 2.135 10 0 BEAERO CNC(=O)c1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000037468018 187392465 /nfs/dbraw/zinc/39/24/65/187392465.db2.gz MBUGESBWXZEZHE-LLVKDONJSA-N 1 0 246.354 2.324 10 0 BEAERO Cc1cccnc1OCC[C@H]1CCCC[NH2+]1 ZINC000051871380 179394524 /nfs/dbraw/zinc/39/45/24/179394524.db2.gz MLYRABMBOKMCRX-GFCCVEGCSA-N 1 0 220.316 2.301 10 0 BEAERO CC(C)[C@@H]1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245012 538001256 /nfs/dbraw/zinc/00/12/56/538001256.db2.gz CZZYZVPHLUIAOW-DMDPSCGWSA-N 1 0 209.333 2.237 10 0 BEAERO CC(C)(O)C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121793149 187392801 /nfs/dbraw/zinc/39/28/01/187392801.db2.gz KQJKGQLBIAKPTH-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO Cc1ccn(-c2ccccc2[C@H](C)[NH3+])n1 ZINC000052884401 179399009 /nfs/dbraw/zinc/39/90/09/179399009.db2.gz CBHRTGXYQSNCDC-JTQLQIEISA-N 1 0 201.273 2.200 10 0 BEAERO C[C@@H]1C[C@]2(CS1)[NH2+]CC[C@H](C)S2 ZINC000251679711 362897389 /nfs/dbraw/zinc/89/73/89/362897389.db2.gz MHVFYYARFOZKRK-YIZRAAEISA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H]([NH3+])[C@H]1CCN(c2nccc3ccccc32)C1 ZINC000162196041 362899831 /nfs/dbraw/zinc/89/98/31/362899831.db2.gz DQHUKOJCUHJLQD-AAEUAGOBSA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H]1CSCC[N@@H+]1CC[C@H]1CCCC1=O ZINC000251576113 362887930 /nfs/dbraw/zinc/88/79/30/362887930.db2.gz CFCUOACYYDFGPT-GHMZBOCLSA-N 1 0 227.373 2.183 10 0 BEAERO C[C@@H]1CS[C@@]2(CCCS[C@H]2C)[NH2+]1 ZINC000251619161 362892732 /nfs/dbraw/zinc/89/27/32/362892732.db2.gz DVLQRRLWEBUUJE-HRDYMLBCSA-N 1 0 203.376 2.323 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1cc(Br)ccc1F ZINC000037381332 348394436 /nfs/dbraw/zinc/39/44/36/348394436.db2.gz JBBSYADOBQRXPS-VXNVDRBHSA-N 1 0 230.080 2.403 10 0 BEAERO Cc1ccnc(Oc2cccc(C[NH3+])c2)n1 ZINC000061859845 179462712 /nfs/dbraw/zinc/46/27/12/179462712.db2.gz VDFAQAMZNIPDFZ-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1ccnc(Sc2ccccc2C[NH3+])n1 ZINC000051331792 179465040 /nfs/dbraw/zinc/46/50/40/179465040.db2.gz HNILZDIVUYQGRD-UHFFFAOYSA-N 1 0 231.324 2.395 10 0 BEAERO CCCC1(C(=O)NCC2CCC2)CC[NH2+]CC1 ZINC000062848086 168591104 /nfs/dbraw/zinc/59/11/04/168591104.db2.gz GVYQYGQGWXUDCY-UHFFFAOYSA-N 1 0 238.375 2.073 10 0 BEAERO COc1c(F)c(F)ccc1C1CC[NH2+]CC1 ZINC000205688879 348575162 /nfs/dbraw/zinc/57/51/62/348575162.db2.gz MQQLSXRMCFFAMI-UHFFFAOYSA-N 1 0 227.254 2.440 10 0 BEAERO Cc1ccsc1/C=C/C1=[NH+]CCCN1 ZINC000039105495 179534790 /nfs/dbraw/zinc/53/47/90/179534790.db2.gz GHOSNGXMQPDFFX-ONEGZZNKSA-N 1 0 206.314 2.462 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@@]3(C2)NCCCS3)cc1 ZINC000159147096 348651946 /nfs/dbraw/zinc/65/19/46/348651946.db2.gz HUOVKIIYIWRHRP-CQSZACIVSA-N 1 0 248.395 2.315 10 0 BEAERO Cc1ccc2c(c1Cl)NC[C@]21C[C@H]1[NH3+] ZINC000725246901 538009297 /nfs/dbraw/zinc/00/92/97/538009297.db2.gz ADUCDHONSHYVOH-LDYMZIIASA-N 1 0 208.692 2.043 10 0 BEAERO Cc1cnc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)s1 ZINC000295790483 179604616 /nfs/dbraw/zinc/60/46/16/179604616.db2.gz SCIORTSIUVHWGL-QWRGUYRKSA-N 1 0 240.372 2.092 10 0 BEAERO CC[N@H+](Cc1ccccc1)[C@H]1CCC[C@@H]1O ZINC000037489657 348622587 /nfs/dbraw/zinc/62/25/87/348622587.db2.gz QVRCHWKWSZLEHQ-KBPBESRZSA-N 1 0 219.328 2.422 10 0 BEAERO C[C@@H]1CS[C@]2(CCN(Cc3ccccc3)C2)[NH2+]1 ZINC000159142688 348625447 /nfs/dbraw/zinc/62/54/47/348625447.db2.gz LJQODBBJMSUZCS-OCCSQVGLSA-N 1 0 248.395 2.314 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CCC1=CCCC1 ZINC000308837598 348771469 /nfs/dbraw/zinc/77/14/69/348771469.db2.gz XEMQIMHYOCZKIC-GFCCVEGCSA-N 1 0 211.349 2.483 10 0 BEAERO [NH3+][C@H]1C[C@]12CNc1cc(Cl)cc(Cl)c12 ZINC000725247077 538012312 /nfs/dbraw/zinc/01/23/12/538012312.db2.gz GQXAMYOAPLVECT-WPRPVWTQSA-N 1 0 229.110 2.388 10 0 BEAERO CCC1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054291235 348963464 /nfs/dbraw/zinc/96/34/64/348963464.db2.gz OJEORQOMJUFKKA-CYBMUJFWSA-N 1 0 238.375 2.025 10 0 BEAERO Cc1cccc(N(C)C(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054292567 348964163 /nfs/dbraw/zinc/96/41/63/348964163.db2.gz HSKAWNGJNALOTI-ZDUSSCGKSA-N 1 0 246.354 2.348 10 0 BEAERO CC(C)Cc1ccc([C@@](C)([NH3+])CO)cc1 ZINC000038124476 187420452 /nfs/dbraw/zinc/42/04/52/187420452.db2.gz UWEWKWUIFNNQNI-ZDUSSCGKSA-N 1 0 207.317 2.051 10 0 BEAERO CC(C)Cc1ccc([C@@](C)(O)C[NH3+])cc1 ZINC000036158267 187413742 /nfs/dbraw/zinc/41/37/42/187413742.db2.gz LVWJLCGNHAWOHZ-ZDUSSCGKSA-N 1 0 207.317 2.051 10 0 BEAERO CC[C@H](C)c1nnc([C@@H]([NH3+])[C@@H](C)CC)[nH]1 ZINC000616573298 349069613 /nfs/dbraw/zinc/06/96/13/349069613.db2.gz ZWRAZIVBBAEYLO-CIUDSAMLSA-N 1 0 210.325 2.364 10 0 BEAERO C[C@H](C(=O)N[C@H]1CC[C@@H]([NH3+])CC1)C(C)(C)C ZINC000616574235 349071317 /nfs/dbraw/zinc/07/13/17/349071317.db2.gz YJJLZYGEJWMVPL-MXWKQRLJSA-N 1 0 226.364 2.055 10 0 BEAERO C/C=C/COc1cc2c(cc1C[C@@H](C)[NH3+])OCO2 ZINC000042878262 187431729 /nfs/dbraw/zinc/43/17/29/187431729.db2.gz SFFRXMLNSSUQNP-HMDXOVGESA-N 1 0 249.310 2.260 10 0 BEAERO Cc1ccc(NC(=O)C2CC2)c(C)c1C[NH3+] ZINC000616574068 349076627 /nfs/dbraw/zinc/07/66/27/349076627.db2.gz WPBYPUYZKJRZDV-UHFFFAOYSA-N 1 0 218.300 2.111 10 0 BEAERO CC(=O)Nc1cccc(NCC[NH+]2CCCC2)c1 ZINC000041299505 187429070 /nfs/dbraw/zinc/42/90/70/187429070.db2.gz RKNMDZJUZJNVJD-UHFFFAOYSA-N 1 0 247.342 2.153 10 0 BEAERO C/C=C(/C)C(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616571865 349061338 /nfs/dbraw/zinc/06/13/38/349061338.db2.gz ILIFHZXCPKNTBL-FGUAACIASA-N 1 0 232.327 2.289 10 0 BEAERO C[C@@H]([NH3+])c1cccc(CNC(=O)C2CCC2)c1 ZINC000616572445 349065700 /nfs/dbraw/zinc/06/57/00/349065700.db2.gz MVDAICCSNIFRAQ-SNVBAGLBSA-N 1 0 232.327 2.123 10 0 BEAERO C[C@H]([NH3+])c1cccc(CNC(=O)CC2CC2)c1 ZINC000616572500 349066723 /nfs/dbraw/zinc/06/67/23/349066723.db2.gz NKXNFIAPBZSPOS-JTQLQIEISA-N 1 0 232.327 2.123 10 0 BEAERO CC(C)(C)c1nccc([C@H]2CCC[NH2+]C2)n1 ZINC000043673928 187432661 /nfs/dbraw/zinc/43/26/61/187432661.db2.gz FEEPHLVLUICVHR-JTQLQIEISA-N 1 0 219.332 2.241 10 0 BEAERO Cc1cc(C(F)F)nc(C2([NH3+])CCCC2)n1 ZINC000616579122 349131889 /nfs/dbraw/zinc/13/18/89/349131889.db2.gz QYCCEHWWVOGBTD-UHFFFAOYSA-N 1 0 227.258 2.451 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251020512 349181563 /nfs/dbraw/zinc/18/15/63/349181563.db2.gz DEDQGUMUNCQPRM-IJLUTSLNSA-N 1 0 240.391 2.315 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000251020514 349181955 /nfs/dbraw/zinc/18/19/55/349181955.db2.gz DEDQGUMUNCQPRM-UTUOFQBUSA-N 1 0 240.391 2.315 10 0 BEAERO CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000616579585 349161719 /nfs/dbraw/zinc/16/17/19/349161719.db2.gz UXPAAAJEZUVNLA-UHFFFAOYSA-N 1 0 213.664 2.178 10 0 BEAERO Cc1cscc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000086816192 179803805 /nfs/dbraw/zinc/80/38/05/179803805.db2.gz GKLOGFOKQLRJKJ-WDEREUQCSA-N 1 0 238.356 2.056 10 0 BEAERO CCC(C)(C)[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000616580606 349258299 /nfs/dbraw/zinc/25/82/99/349258299.db2.gz YXDQMSMFUBMXIS-VXGBXAGGSA-N 1 0 242.432 2.344 10 0 BEAERO O=C1CCCC[C@@H]1[C@@H]1[NH2+]C[C@H]2CCC[C@H]12 ZINC000299895439 349277282 /nfs/dbraw/zinc/27/72/82/349277282.db2.gz HDGHIIMJQRNEFX-MPPDQPJWSA-N 1 0 207.317 2.134 10 0 BEAERO Cc1ccc(-c2cnn(CCC[NH3+])c2)cc1C#N ZINC000386177567 362945851 /nfs/dbraw/zinc/94/58/51/362945851.db2.gz TUVSBDJEAMOONN-UHFFFAOYSA-N 1 0 240.310 2.079 10 0 BEAERO Cc1nc(-c2cccs2)nc(C)c1CC[NH3+] ZINC000054836628 179869401 /nfs/dbraw/zinc/86/94/01/179869401.db2.gz QRKLIPMKEAWORL-UHFFFAOYSA-N 1 0 233.340 2.323 10 0 BEAERO Cc1nc(CN(C)[C@H]2CCCC[C@@H]2[NH3+])cs1 ZINC000044609617 179949281 /nfs/dbraw/zinc/94/92/81/179949281.db2.gz BMHBIQOMHFBPMA-RYUDHWBXSA-N 1 0 239.388 2.153 10 0 BEAERO Cc1nc(CCC(C)C)nc(C)c1C[NH3+] ZINC000054836929 179929725 /nfs/dbraw/zinc/92/97/25/179929725.db2.gz FJJZVSAGTAWCBO-UHFFFAOYSA-N 1 0 207.321 2.141 10 0 BEAERO c1ccc([C@@H]2OC[C@@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000002037009 350079512 /nfs/dbraw/zinc/07/95/12/350079512.db2.gz XKGUUISNOPCNKA-MELADBBJSA-N 1 0 233.311 2.243 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000051732069 350080635 /nfs/dbraw/zinc/08/06/35/350080635.db2.gz VISPCPNFTUARIZ-LPEHRKFASA-N 1 0 214.378 2.172 10 0 BEAERO CC(C)(C)c1ccc(C[NH2+]CCO)s1 ZINC000126265593 191007198 /nfs/dbraw/zinc/00/71/98/191007198.db2.gz GNLNLCMUMKBVTJ-UHFFFAOYSA-N 1 0 213.346 2.128 10 0 BEAERO CC(C)Cn1c2cnccc2nc1[C@@H]1CC[NH2+]C1 ZINC000085347873 191008815 /nfs/dbraw/zinc/00/88/15/191008815.db2.gz PYXXLYPXEQYXHR-LLVKDONJSA-N 1 0 244.342 2.164 10 0 BEAERO Cc1nc(C[C@@H]2CCCO2)sc1[C@H](C)[NH3+] ZINC000040993999 179984297 /nfs/dbraw/zinc/98/42/97/179984297.db2.gz LOVVSLUOBBDVRP-CBAPKCEASA-N 1 0 226.345 2.193 10 0 BEAERO CCc1ccc(C[NH2+]Cc2cn[nH]c2)s1 ZINC000051718630 350067241 /nfs/dbraw/zinc/06/72/41/350067241.db2.gz LGZVXPZURXVISY-UHFFFAOYSA-N 1 0 221.329 2.323 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2ccnc(N)c2)C1 ZINC000616613843 350067998 /nfs/dbraw/zinc/06/79/98/350067998.db2.gz SBZNKJXDWDRPEN-NSHDSACASA-N 1 0 219.332 2.082 10 0 BEAERO [NH2+]=C(C1CC1)N1CCc2sccc2C1 ZINC000062989720 350101006 /nfs/dbraw/zinc/10/10/06/350101006.db2.gz BBGAXRQIAFBGOP-UHFFFAOYSA-N 1 0 206.314 2.493 10 0 BEAERO CCC(=[NH2+])N1CCN(Cc2ccccc2)CC1 ZINC000062989794 350101023 /nfs/dbraw/zinc/10/10/23/350101023.db2.gz LOKQZDPZHCIEQN-UHFFFAOYSA-N 1 0 231.343 2.191 10 0 BEAERO Cc1nc(N(C)C(C)C)sc1[C@@H](C)[NH3+] ZINC000054864354 179994719 /nfs/dbraw/zinc/99/47/19/179994719.db2.gz XGOWKKGYOAGYEF-SSDOTTSWSA-N 1 0 213.350 2.316 10 0 BEAERO Cc1[nH+]c(N2CCCCCC2)nc(N)c1C ZINC000045628402 180000473 /nfs/dbraw/zinc/00/04/73/180000473.db2.gz GHNWMXTWTAFTQQ-UHFFFAOYSA-N 1 0 220.320 2.056 10 0 BEAERO Cc1nc(N2CC[C@@H](C)C2)sc1[C@@H](C)[NH3+] ZINC000054896452 180003552 /nfs/dbraw/zinc/00/35/52/180003552.db2.gz IRNVJWZGZQMNRD-HTQZYQBOSA-N 1 0 225.361 2.317 10 0 BEAERO [NH3+]CC1([C@@H]2CCCO2)CCC(F)(F)CC1 ZINC000725255281 538050549 /nfs/dbraw/zinc/05/05/49/538050549.db2.gz YKBVHADLRVRNHX-VIFPVBQESA-N 1 0 219.275 2.320 10 0 BEAERO CC(C)(C)c1ccc(CC[NH2+]CCO)cc1 ZINC000057514284 187438040 /nfs/dbraw/zinc/43/80/40/187438040.db2.gz FKIIICCHGNJFGA-UHFFFAOYSA-N 1 0 221.344 2.109 10 0 BEAERO Cc1nc(N[C@@H]2CCC[NH2+][C@@H]2C)sc1C ZINC000129511696 180022028 /nfs/dbraw/zinc/02/20/28/180022028.db2.gz PUFMZELMVHMPIK-PSASIEDQSA-N 1 0 225.361 2.312 10 0 BEAERO COc1ccc(OCC[C@@H]2CCC[NH2+]2)cc1 ZINC000057514225 187438418 /nfs/dbraw/zinc/43/84/18/187438418.db2.gz NBVRKCMQZRFMQK-NSHDSACASA-N 1 0 221.300 2.216 10 0 BEAERO CC(C)(C)CC[C@@](C)([NH3+])c1ncccn1 ZINC000725255068 538049986 /nfs/dbraw/zinc/04/99/86/538049986.db2.gz QKIDRHNVRRAVAR-GFCCVEGCSA-N 1 0 207.321 2.477 10 0 BEAERO Cc1nc([C@H](C)N[C@H]2C[N@H+](C)C[C@H]2C)cs1 ZINC000336731349 180051468 /nfs/dbraw/zinc/05/14/68/180051468.db2.gz FFYBSETZPDNCPO-YWVKMMECSA-N 1 0 239.388 2.052 10 0 BEAERO Cc1nc([C@H](O)[C@H]([NH3+])Cc2ccccc2)cs1 ZINC000096962508 180054724 /nfs/dbraw/zinc/05/47/24/180054724.db2.gz TVEBAXSIHJJOOZ-DGCLKSJQSA-N 1 0 248.351 2.055 10 0 BEAERO Cc1nc([C@](C)([NH3+])CCc2ccccc2)no1 ZINC000036762483 180057780 /nfs/dbraw/zinc/05/77/80/180057780.db2.gz WBDUWMITPBYJTQ-CYBMUJFWSA-N 1 0 231.299 2.185 10 0 BEAERO CN(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000219448699 350127140 /nfs/dbraw/zinc/12/71/40/350127140.db2.gz UVUDXPQAAFGRCH-CQSZACIVSA-N 1 0 218.344 2.213 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1 ZINC000132545857 191032492 /nfs/dbraw/zinc/03/24/92/191032492.db2.gz SXUYDTFAJPDURN-LRDDRELGSA-N 1 0 239.384 2.242 10 0 BEAERO Cc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1 ZINC000132545627 191033122 /nfs/dbraw/zinc/03/31/22/191033122.db2.gz SXUYDTFAJPDURN-WBMJQRKESA-N 1 0 239.384 2.242 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)cc1F ZINC000132662499 191034860 /nfs/dbraw/zinc/03/48/60/191034860.db2.gz HIXOXOODJDHSJX-NXEZZACHSA-N 1 0 238.306 2.049 10 0 BEAERO CCc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)o1 ZINC000132574234 191033862 /nfs/dbraw/zinc/03/38/62/191033862.db2.gz GKZPVOWZSOTYOO-MGPLVRAMSA-N 1 0 243.372 2.089 10 0 BEAERO C[C@@H](CC[NH2+]Cc1cccc(F)c1)[S@](C)=O ZINC000132594985 191034258 /nfs/dbraw/zinc/03/42/58/191034258.db2.gz BUOQMFWGIQCNEF-MGPLVRAMSA-N 1 0 243.347 2.072 10 0 BEAERO Cc1ccccc1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000132552473 191034673 /nfs/dbraw/zinc/03/46/73/191034673.db2.gz VAUIIOWUCXVFGM-MLGOLLRUSA-N 1 0 239.384 2.242 10 0 BEAERO Fc1cccc(COC[C@@H]2CCC[NH2+]C2)c1F ZINC000051815508 350136188 /nfs/dbraw/zinc/13/61/88/350136188.db2.gz KICFFVDWJNWMCO-SNVBAGLBSA-N 1 0 241.281 2.481 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)cc1F ZINC000132662287 191034835 /nfs/dbraw/zinc/03/48/35/191034835.db2.gz HIXOXOODJDHSJX-UWVGGRQHSA-N 1 0 238.306 2.049 10 0 BEAERO C[C@H]([NH2+]CC1(C)CCC1)c1nccn1C ZINC000132301405 191030984 /nfs/dbraw/zinc/03/09/84/191030984.db2.gz ITCPSNZZOBBNEX-JTQLQIEISA-N 1 0 207.321 2.261 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)cc1F ZINC000132662086 191034845 /nfs/dbraw/zinc/03/48/45/191034845.db2.gz HIXOXOODJDHSJX-VHSXEESVSA-N 1 0 238.306 2.049 10 0 BEAERO Cc1ccc(C[NH2+]CC2(CCO)CC2)s1 ZINC000133081294 191036819 /nfs/dbraw/zinc/03/68/19/191036819.db2.gz VFMVBDSWSSKHFK-UHFFFAOYSA-N 1 0 225.357 2.309 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCSC)C12CCC2 ZINC000309183100 350158304 /nfs/dbraw/zinc/15/83/04/350158304.db2.gz ODDWEQXIXNQVLL-HBNTYKKESA-N 1 0 229.389 2.143 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCSC)C12CCC2 ZINC000309183105 350158499 /nfs/dbraw/zinc/15/84/99/350158499.db2.gz ODDWEQXIXNQVLL-OUAUKWLOSA-N 1 0 229.389 2.143 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000133157058 191038033 /nfs/dbraw/zinc/03/80/33/191038033.db2.gz ZCHVTVAMCLCBRI-NEPJUHHUSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CC1)C1CCCC1 ZINC000133150179 191038226 /nfs/dbraw/zinc/03/82/26/191038226.db2.gz NKMIGYCRVUDHBH-NSHDSACASA-N 1 0 211.349 2.317 10 0 BEAERO CSCCCC[NH2+][C@@H](C)c1cnccn1 ZINC000133638674 191043110 /nfs/dbraw/zinc/04/31/10/191043110.db2.gz RLQBFEDZXXASTC-JTQLQIEISA-N 1 0 225.361 2.270 10 0 BEAERO Cc1nc2ccccc2n1[C@H](C)[C@H](C)[NH3+] ZINC000041053917 180103158 /nfs/dbraw/zinc/10/31/58/180103158.db2.gz VDNQPTKYTAJBDP-DTWKUNHWSA-N 1 0 203.289 2.253 10 0 BEAERO Cc1nc2ccccc2nc1N(CC[NH3+])C(C)C ZINC000053706453 180105291 /nfs/dbraw/zinc/10/52/91/180105291.db2.gz SOZGUFQFGFKLDO-UHFFFAOYSA-N 1 0 244.342 2.112 10 0 BEAERO CC(C)OCCCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304254719 350151321 /nfs/dbraw/zinc/15/13/21/350151321.db2.gz RUEYMZVGRRLFKG-GFCCVEGCSA-N 1 0 231.380 2.188 10 0 BEAERO Cc1cnc(SC[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095068737 191053483 /nfs/dbraw/zinc/05/34/83/191053483.db2.gz AXCAAMWGFGYFHM-MRVPVSSYSA-N 1 0 243.763 2.140 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](CNC(F)(F)F)C1 ZINC000095088269 191053730 /nfs/dbraw/zinc/05/37/30/191053730.db2.gz MCNWSZVBWGZHEF-SECBINFHSA-N 1 0 224.270 2.216 10 0 BEAERO Cc1nc[nH]c1C[NH2+]Cc1cccc(F)c1 ZINC000054794441 180121794 /nfs/dbraw/zinc/12/17/94/180121794.db2.gz CTSABEYKYZKHST-UHFFFAOYSA-N 1 0 219.263 2.147 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c(C)n1 ZINC000120457155 180173518 /nfs/dbraw/zinc/17/35/18/180173518.db2.gz RUYQTIZAUDVDSE-DXBFQKDVSA-N 1 0 205.305 2.152 10 0 BEAERO Cc1ncc(CN2CC[C@H](C)C[C@@H]2C[NH3+])s1 ZINC000235614793 180145864 /nfs/dbraw/zinc/14/58/64/180145864.db2.gz DEJQXLKRWOCOHQ-GXSJLCMTSA-N 1 0 239.388 2.011 10 0 BEAERO [NH3+]CCc1cccc(OCc2ccccc2)n1 ZINC000044373670 350184918 /nfs/dbraw/zinc/18/49/18/350184918.db2.gz DDLASQXHTRKQEM-UHFFFAOYSA-N 1 0 228.295 2.162 10 0 BEAERO Cc1nccc(C[NH2+][C@H](C)CCc2ccco2)n1 ZINC000038037607 180191771 /nfs/dbraw/zinc/19/17/71/180191771.db2.gz CSHVMPUDIPENPH-LLVKDONJSA-N 1 0 245.326 2.489 10 0 BEAERO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)C ZINC000309237490 350215859 /nfs/dbraw/zinc/21/58/59/350215859.db2.gz XTQGMOUBYATGCW-OLZOCXBDSA-N 1 0 212.381 2.497 10 0 BEAERO CCC[C@@](C[NH3+])(c1ccccc1)[C@H](C)CO ZINC000309220444 350202989 /nfs/dbraw/zinc/20/29/89/350202989.db2.gz OITZMAMFOBDLDE-OCCSQVGLSA-N 1 0 221.344 2.312 10 0 BEAERO Cc1ncccc1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000094645910 180215765 /nfs/dbraw/zinc/21/57/65/180215765.db2.gz CHXANELULOXHFT-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO CC(C)(C)OC(=O)c1cccc2c1C[NH2+]CCO2 ZINC000725260885 538084031 /nfs/dbraw/zinc/08/40/31/538084031.db2.gz YXBSPSWTDYLNHO-UHFFFAOYSA-N 1 0 249.310 2.124 10 0 BEAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037678970 350285910 /nfs/dbraw/zinc/28/59/10/350285910.db2.gz ZOBULRKFRDQAGG-KGLIPLIRSA-N 1 0 249.354 2.478 10 0 BEAERO Cc1nccn1CCOc1cccc([C@H](C)[NH3+])c1 ZINC000049329358 180263094 /nfs/dbraw/zinc/26/30/94/180263094.db2.gz HUNJSPPQAHAQTP-NSHDSACASA-N 1 0 245.326 2.290 10 0 BEAERO Cc1nccn1CCOc1ccccc1[C@@H](C)[NH3+] ZINC000049329346 180263611 /nfs/dbraw/zinc/26/36/11/180263611.db2.gz BYTLKIADFQGIDG-LLVKDONJSA-N 1 0 245.326 2.290 10 0 BEAERO Cc1nccn1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052576172 180268882 /nfs/dbraw/zinc/26/88/82/180268882.db2.gz AIHUDXSRYPFCDA-UHFFFAOYSA-N 1 0 241.338 2.492 10 0 BEAERO Cc1nccn1[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000037159990 180271513 /nfs/dbraw/zinc/27/15/13/180271513.db2.gz RTCJNKCWBUVEJM-NEPJUHHUSA-N 1 0 207.321 2.272 10 0 BEAERO Cc1nccn1[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915854 180272151 /nfs/dbraw/zinc/27/21/51/180272151.db2.gz MLJBYISACZGJDJ-RNCFNFMXSA-N 1 0 233.290 2.267 10 0 BEAERO Cc1ncn([C@@H](c2cccs2)[C@H](C)[NH3+])c1C ZINC000051925921 180289971 /nfs/dbraw/zinc/28/99/71/180289971.db2.gz UZJNSJRPPWVIRK-QPUJVOFHSA-N 1 0 235.356 2.498 10 0 BEAERO Cc1ncn([C@H](c2cccs2)[C@@H](C)[NH3+])c1C ZINC000051925920 180290064 /nfs/dbraw/zinc/29/00/64/180290064.db2.gz UZJNSJRPPWVIRK-PELKAZGASA-N 1 0 235.356 2.498 10 0 BEAERO COC1(OC)CC[C@H](C(C)C)C[C@H]1CC[NH3+] ZINC000725261835 538087918 /nfs/dbraw/zinc/08/79/18/538087918.db2.gz JTLMGUVWTRFRKD-NWDGAFQWSA-N 1 0 229.364 2.397 10 0 BEAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000219114177 180282107 /nfs/dbraw/zinc/28/21/07/180282107.db2.gz KNOXSZSTUALYKZ-NEPJUHHUSA-N 1 0 235.331 2.005 10 0 BEAERO C[C@@H](C[NH3+])S[C@@H]1CC(C)(C)OC1(C)C ZINC000167892547 350286830 /nfs/dbraw/zinc/28/68/30/350286830.db2.gz XRVXAWWVOHYASK-DTWKUNHWSA-N 1 0 217.378 2.413 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(O)c(F)c1 ZINC000324278182 350289458 /nfs/dbraw/zinc/28/94/58/350289458.db2.gz NOLOLCYBXJONRP-GFCCVEGCSA-N 1 0 241.306 2.028 10 0 BEAERO Cc1ncn(-c2ccc(C[NH3+])cc2F)c1C ZINC000051925522 180285387 /nfs/dbraw/zinc/28/53/87/180285387.db2.gz JPQOZLQJMPHHQG-UHFFFAOYSA-N 1 0 219.263 2.087 10 0 BEAERO Cc1ncsc1CC[C@@]1(C[NH3+])CCCOC1 ZINC000062193245 180311637 /nfs/dbraw/zinc/31/16/37/180311637.db2.gz WJTXYEYLJCSUOT-GFCCVEGCSA-N 1 0 240.372 2.140 10 0 BEAERO CC(C)(C)C(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264263 538090452 /nfs/dbraw/zinc/09/04/52/538090452.db2.gz SQSSPBWPGKAQED-NSHDSACASA-N 1 0 238.375 2.153 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)CCC ZINC000300228722 191096804 /nfs/dbraw/zinc/09/68/04/191096804.db2.gz BGPPYHSNEGMPFA-CHWSQXEVSA-N 1 0 231.380 2.284 10 0 BEAERO CC(C)CC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264026 538090705 /nfs/dbraw/zinc/09/07/05/538090705.db2.gz GORHSXZZFAXTKF-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1ncsc1CC[NH2+]CC1CCOCC1 ZINC000082544598 180308942 /nfs/dbraw/zinc/30/89/42/180308942.db2.gz UFOFXLIHTFWVLX-UHFFFAOYSA-N 1 0 240.372 2.010 10 0 BEAERO Cc1ncsc1CC[N@@H+]1CCS[C@@H](C)C1 ZINC000172534247 180310069 /nfs/dbraw/zinc/31/00/69/180310069.db2.gz MPVQXKSGAORDNI-VIFPVBQESA-N 1 0 242.413 2.431 10 0 BEAERO Cc1ncsc1[C@@H](C)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484862 180326733 /nfs/dbraw/zinc/32/67/33/180326733.db2.gz WITRMZNSDGBMJC-KOLCDFICSA-N 1 0 239.388 2.054 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000037215350 180327254 /nfs/dbraw/zinc/32/72/54/180327254.db2.gz VHRDKMBPVSLZQN-WPRPVWTQSA-N 1 0 226.345 2.281 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000037256250 180327701 /nfs/dbraw/zinc/32/77/01/180327701.db2.gz BEYGXBQAVDZSAE-JTQLQIEISA-N 1 0 239.388 2.196 10 0 BEAERO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH3+] ZINC000019512054 180329239 /nfs/dbraw/zinc/32/92/39/180329239.db2.gz KIAQTPGOEABODP-UHFFFAOYSA-N 1 0 237.253 2.226 10 0 BEAERO CC(C)(C)C(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725265228 538091348 /nfs/dbraw/zinc/09/13/48/538091348.db2.gz RPUYVNREDIOMRR-LLVKDONJSA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)[C@H](C)C(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000725264641 538092102 /nfs/dbraw/zinc/09/21/02/538092102.db2.gz ZDOQPQRCYBLMCL-OBJOEFQTSA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)[C@H](C)C(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725264483 538092111 /nfs/dbraw/zinc/09/21/11/538092111.db2.gz QFFZFIBZJPYNLU-OBJOEFQTSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1nn(C)c(O[C@@H]2CCC[C@@H](C)C2)c1C[NH3+] ZINC000020517789 180360777 /nfs/dbraw/zinc/36/07/77/180360777.db2.gz HCRMRFJNACOVEC-MWLCHTKSSA-N 1 0 237.347 2.145 10 0 BEAERO Cc1nn(C)c(Oc2ccccc2F)c1CC[NH3+] ZINC000104301074 180361309 /nfs/dbraw/zinc/36/13/09/180361309.db2.gz UUPULNQDIBDNOK-UHFFFAOYSA-N 1 0 249.289 2.161 10 0 BEAERO Cc1nn(C)c(O[C@H]2CCC[C@H](C)C2)c1C[NH3+] ZINC000020517792 180361363 /nfs/dbraw/zinc/36/13/63/180361363.db2.gz HCRMRFJNACOVEC-ONGXEEELSA-N 1 0 237.347 2.145 10 0 BEAERO Cc1c(N)cncc1C1=CC[C@]2(C[C@H]2[NH3+])CC1 ZINC000725265120 538092845 /nfs/dbraw/zinc/09/28/45/538092845.db2.gz GXTHDMZKUGOETO-ZIAGYGMSSA-N 1 0 229.327 2.257 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2cccc(N)c2)CC1 ZINC000616592625 350467787 /nfs/dbraw/zinc/46/77/87/350467787.db2.gz DPZJAYYWOIAEID-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO c1nnn([C@H]2CCC[NH2+]CC2)c1-c1ccccc1 ZINC000725266032 538093724 /nfs/dbraw/zinc/09/37/24/538093724.db2.gz GNJHEIXZSMMHDF-ZDUSSCGKSA-N 1 0 242.326 2.260 10 0 BEAERO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000277078978 180378714 /nfs/dbraw/zinc/37/87/14/180378714.db2.gz JNMMXTYTEGLVFL-SSDOTTSWSA-N 1 0 229.274 2.177 10 0 BEAERO Fc1ccc(-c2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000725266025 538094437 /nfs/dbraw/zinc/09/44/37/538094437.db2.gz GLIYXSJPMMCMKO-GFCCVEGCSA-N 1 0 246.289 2.009 10 0 BEAERO Cc1nn([C@H](C[NH3+])c2ccco2)c(C)c1Cl ZINC000050586334 180393041 /nfs/dbraw/zinc/39/30/41/180393041.db2.gz VHGUNGGSYHTWDO-SECBINFHSA-N 1 0 239.706 2.294 10 0 BEAERO Cc1nn([C@H]2CCC[C@@H]2C[NH3+])c(C)c1C ZINC000040729114 180393509 /nfs/dbraw/zinc/39/35/09/180393509.db2.gz GFBLZJUMMOGNOW-NEPJUHHUSA-N 1 0 207.321 2.108 10 0 BEAERO Cc1nn(CCC(C)(C)C)c(C)c1C[NH3+] ZINC000049256076 180387779 /nfs/dbraw/zinc/38/77/79/180387779.db2.gz AYDPFOSJDOEZAR-UHFFFAOYSA-N 1 0 209.337 2.395 10 0 BEAERO Cc1nn(CC[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC000051919916 180389008 /nfs/dbraw/zinc/38/90/08/180389008.db2.gz AXRVJPPGBCLTMG-ZDUSSCGKSA-N 1 0 221.348 2.198 10 0 BEAERO Cc1nn(C[C@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000050586805 180390446 /nfs/dbraw/zinc/39/04/46/180390446.db2.gz XHWZVDZSIJNEGB-JTQLQIEISA-N 1 0 227.739 2.153 10 0 BEAERO [NH3+]C/C=C/c1sccc1Br ZINC000228020160 350524338 /nfs/dbraw/zinc/52/43/38/350524338.db2.gz DBUHASLJCIOYJE-OWOJBTEDSA-N 1 0 218.119 2.483 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000063145633 350573603 /nfs/dbraw/zinc/57/36/03/350573603.db2.gz AULFHLDQQQBNHF-FIYWTHMPSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1nnc(S[C@H](c2ccco2)[C@H](C)[NH3+])o1 ZINC000051037895 180440360 /nfs/dbraw/zinc/44/03/60/180440360.db2.gz JLRAUNWRWQISMI-RCOVLWMOSA-N 1 0 239.300 2.152 10 0 BEAERO Fc1cccc(-c2cnnn2C2CC[NH2+]CC2)c1 ZINC000725266189 538096077 /nfs/dbraw/zinc/09/60/77/538096077.db2.gz VCQJAKYJDRRFCA-UHFFFAOYSA-N 1 0 246.289 2.009 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cncnc2)CC1 ZINC000616594812 350596824 /nfs/dbraw/zinc/59/68/24/350596824.db2.gz SWASMSZYYDFEKD-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](C)C[C@@H]1C ZINC000094648143 350598378 /nfs/dbraw/zinc/59/83/78/350598378.db2.gz RUWRVFWAUKFPRJ-WUHRBBMRSA-N 1 0 238.375 2.022 10 0 BEAERO COCC[NH2+]CC[C@H](CO)[C@@H]1CCC[C@H](C)C1 ZINC000725267187 538097411 /nfs/dbraw/zinc/09/74/11/538097411.db2.gz UZEOSMRDXPVBMQ-BFHYXJOUSA-N 1 0 243.391 2.047 10 0 BEAERO COCC[NH2+]CC[C@H](CO)[C@@H]1CCC[C@@H](C)C1 ZINC000725267192 538097435 /nfs/dbraw/zinc/09/74/35/538097435.db2.gz UZEOSMRDXPVBMQ-MGPQQGTHSA-N 1 0 243.391 2.047 10 0 BEAERO CCCCCC(=O)N[C@H](C[NH3+])c1ccccc1 ZINC000104318095 168640599 /nfs/dbraw/zinc/64/05/99/168640599.db2.gz FOWKOUZIEYSCEO-CYBMUJFWSA-N 1 0 234.343 2.383 10 0 BEAERO CC(C)C[C@@H](C[NH3+])NC(=O)C[C@@H](C)C(C)C ZINC000236634899 187458154 /nfs/dbraw/zinc/45/81/54/187458154.db2.gz BCYJZYRJUOTHMB-NEPJUHHUSA-N 1 0 228.380 2.158 10 0 BEAERO CCC[C@@H]([NH3+])c1ccc(C(=O)OC)cc1 ZINC000095779684 350662564 /nfs/dbraw/zinc/66/25/64/350662564.db2.gz DAXFHQIRSGMGKG-LLVKDONJSA-N 1 0 207.273 2.273 10 0 BEAERO CCC(C)(C)[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000725267506 538099074 /nfs/dbraw/zinc/09/90/74/538099074.db2.gz MBUIWNBXOYTJFM-CYBMUJFWSA-N 1 0 243.391 2.190 10 0 BEAERO CC(=O)Nc1ccccc1[C@H]1C[N@H+](C)CCCO1 ZINC000616598605 350676229 /nfs/dbraw/zinc/67/62/29/350676229.db2.gz NXHHJAMIHYWNNB-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1cccc(OC)c1 ZINC000616598875 350687690 /nfs/dbraw/zinc/68/76/90/350687690.db2.gz UEPAATNTZDRFII-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO CC(=O)Nc1ccccc1[C@H]1CCOCC[N@H+]1C ZINC000616598978 350698834 /nfs/dbraw/zinc/69/88/34/350698834.db2.gz MZYDBXDYQCZAOD-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1ccncn1 ZINC000616598993 350701211 /nfs/dbraw/zinc/70/12/11/350701211.db2.gz GMWCPEDVLBKNHK-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO Cc1noc([C@H]2C[NH2+]CC23CCCCC3)n1 ZINC000328579512 180501643 /nfs/dbraw/zinc/50/16/43/180501643.db2.gz MQVVGESPLVGNIX-SNVBAGLBSA-N 1 0 221.304 2.015 10 0 BEAERO C[C@H]1[C@H](O)CCCN1Cc1cncc(Cl)c1 ZINC000621298760 350760182 /nfs/dbraw/zinc/76/01/82/350760182.db2.gz INTPAMKXGJJWFX-JOYOIKCWSA-N 1 0 240.734 2.080 10 0 BEAERO [NH3+]C/C=C/c1occc1Br ZINC000236184237 350731222 /nfs/dbraw/zinc/73/12/22/350731222.db2.gz HTHXCFGNZNKHAE-OWOJBTEDSA-N 1 0 202.051 2.014 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1ccccc1OC ZINC000616599278 350741304 /nfs/dbraw/zinc/74/13/04/350741304.db2.gz XZCSXIOAOGZGCF-ZDUSSCGKSA-N 1 0 235.327 2.479 10 0 BEAERO C[C@@H]1C[NH+](CC[C@H]2CCCC2=O)C[C@H]1C ZINC000251908017 362982379 /nfs/dbraw/zinc/98/23/79/362982379.db2.gz WYMUYFGZYVOZIO-IJLUTSLNSA-N 1 0 209.333 2.334 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](n2ccc(N)n2)CC1 ZINC000616601196 350781577 /nfs/dbraw/zinc/78/15/77/350781577.db2.gz LENHBGACMOSPQG-LLVKDONJSA-N 1 0 236.363 2.121 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2nnc[nH]2)CC1 ZINC000616601169 350781824 /nfs/dbraw/zinc/78/18/24/350781824.db2.gz PBOKOFVBQDAJHP-JTQLQIEISA-N 1 0 222.336 2.173 10 0 BEAERO CC[N@@H+]1CCCC[C@H](OC(F)(F)F)C1 ZINC000616601453 350782513 /nfs/dbraw/zinc/78/25/13/350782513.db2.gz CPMSXUMKXLKXOW-QMMMGPOBSA-N 1 0 211.227 2.397 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](n2ccnc2)CC1 ZINC000616601473 350782555 /nfs/dbraw/zinc/78/25/55/350782555.db2.gz PPYHUCIIQKFOQG-GFCCVEGCSA-N 1 0 207.321 2.319 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2ccncn2)CC1 ZINC000616603596 350789735 /nfs/dbraw/zinc/78/97/35/350789735.db2.gz ZDSOUFPZJPJEBI-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO OCc1cccc([C@H]2CCC[NH2+]CC2)c1 ZINC000616601994 350790689 /nfs/dbraw/zinc/79/06/89/350790689.db2.gz PGBQVIUJTPKZIU-LBPRGKRZSA-N 1 0 205.301 2.036 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616602353 350791166 /nfs/dbraw/zinc/79/11/66/350791166.db2.gz LNBVKBGFAUTNIM-AWEZNQCLSA-N 1 0 246.354 2.375 10 0 BEAERO c1cc2cc([C@@H]3CCC[NH2+]CC3)ccc2nn1 ZINC000616602463 350792034 /nfs/dbraw/zinc/79/20/34/350792034.db2.gz NRNCGRVFFOSSMX-LLVKDONJSA-N 1 0 227.311 2.487 10 0 BEAERO COc1ccc([C@@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616604065 350792587 /nfs/dbraw/zinc/79/25/87/350792587.db2.gz AGMSOUPXMMZCTK-CQSZACIVSA-N 1 0 249.354 2.257 10 0 BEAERO COc1ccccc1[C@@H]1CCCCN(CC[NH3+])C1 ZINC000616604101 350792700 /nfs/dbraw/zinc/79/27/00/350792700.db2.gz ASHXIAXBERZYGY-CYBMUJFWSA-N 1 0 248.370 2.223 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(N)n1 ZINC000616606418 350797279 /nfs/dbraw/zinc/79/72/79/350797279.db2.gz FKOOQOLMHHUYRW-LLVKDONJSA-N 1 0 205.305 2.209 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1cccnn1 ZINC000616607328 350800193 /nfs/dbraw/zinc/80/01/93/350800193.db2.gz IDKZGJHPFDIPST-LLVKDONJSA-N 1 0 205.305 2.412 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccncn1 ZINC000616607109 350800219 /nfs/dbraw/zinc/80/02/19/350800219.db2.gz GOTASTQYHCLASQ-NSHDSACASA-N 1 0 205.305 2.412 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H]1c1cccc(N)n1 ZINC000616607080 350800398 /nfs/dbraw/zinc/80/03/98/350800398.db2.gz FKOOQOLMHHUYRW-NSHDSACASA-N 1 0 205.305 2.209 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccnc(N)c1 ZINC000616607843 350802390 /nfs/dbraw/zinc/80/23/90/350802390.db2.gz YYQMECFVRJXKIC-LLVKDONJSA-N 1 0 205.305 2.039 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616607709 350802401 /nfs/dbraw/zinc/80/24/01/350802401.db2.gz YNKYUMFACAOYCF-CYBMUJFWSA-N 1 0 232.327 2.331 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616610433 350805301 /nfs/dbraw/zinc/80/53/01/350805301.db2.gz JMGXFIQGLDHZGP-GFCCVEGCSA-N 1 0 246.354 2.375 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616614558 350835529 /nfs/dbraw/zinc/83/55/29/350835529.db2.gz PMCKCMKMNHXYKD-CYBMUJFWSA-N 1 0 242.322 2.016 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616614552 350835549 /nfs/dbraw/zinc/83/55/49/350835549.db2.gz OXFSQHQTULFHAC-LLVKDONJSA-N 1 0 246.354 2.373 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616614874 350840896 /nfs/dbraw/zinc/84/08/96/350840896.db2.gz ZBJDSLFRVJSZPY-CQSZACIVSA-N 1 0 242.322 2.016 10 0 BEAERO [NH3+][C@H]1CCN(c2c(F)cccc2Cl)C1 ZINC000159524563 350846718 /nfs/dbraw/zinc/84/67/18/350846718.db2.gz KQUZZPQFCWPQLM-ZETCQYMHSA-N 1 0 214.671 2.017 10 0 BEAERO C[N@@H+]1CCCC[C@H]1c1ccccc1CCO ZINC000616615509 350847631 /nfs/dbraw/zinc/84/76/31/350847631.db2.gz OEAVWCULTPXNMX-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616617151 350862093 /nfs/dbraw/zinc/86/20/93/350862093.db2.gz JSBXPPDFKNYXLT-CYBMUJFWSA-N 1 0 227.311 2.439 10 0 BEAERO Brc1cc(/C=C2/CC[NH2+]C2)co1 ZINC000306675463 350827142 /nfs/dbraw/zinc/82/71/42/350827142.db2.gz SPTCQDJZKCAATM-CLTKARDFSA-N 1 0 228.089 2.419 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1cnno1 ZINC000616614137 350827176 /nfs/dbraw/zinc/82/71/76/350827176.db2.gz JRZZOLPBLZXHJF-SECBINFHSA-N 1 0 209.293 2.395 10 0 BEAERO OCC[N@@H+]1CC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616614153 350827883 /nfs/dbraw/zinc/82/78/83/350827883.db2.gz FXPSSAVAPBJCDL-CQSZACIVSA-N 1 0 242.322 2.016 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H]2CCCC2=O)CC1 ZINC000251612423 350899117 /nfs/dbraw/zinc/89/91/17/350899117.db2.gz CEBYJVCTJCGBPQ-VXGBXAGGSA-N 1 0 209.333 2.478 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2CCCCS2)CCC1=O ZINC000251864376 350905594 /nfs/dbraw/zinc/90/55/94/350905594.db2.gz STEQYIPNRWLEJQ-GHMZBOCLSA-N 1 0 227.373 2.183 10 0 BEAERO CC(C)CNC(=[NH2+])[C@@H]1SCCS[C@H]1C ZINC000252723203 350914705 /nfs/dbraw/zinc/91/47/05/350914705.db2.gz SXDMOAKOVRGWMT-DTWKUNHWSA-N 1 0 232.418 2.446 10 0 BEAERO [NH3+][C@H]1CCCc2nc(C(F)(F)F)sc21 ZINC000159600944 350920927 /nfs/dbraw/zinc/92/09/27/350920927.db2.gz CIUWLNNJYVLYJW-BYPYZUCNSA-N 1 0 222.235 2.498 10 0 BEAERO c1ccc2c(c1)nncc2[C@H]1CCC[NH2+]C1 ZINC000616618851 350925770 /nfs/dbraw/zinc/92/57/70/350925770.db2.gz PJKDIXXSNVGLSJ-JTQLQIEISA-N 1 0 213.284 2.097 10 0 BEAERO c1nnoc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000616618892 350925929 /nfs/dbraw/zinc/92/59/29/350925929.db2.gz USBYQCFXRSTGAF-ZDUSSCGKSA-N 1 0 243.310 2.449 10 0 BEAERO C[NH+]1CCC(c2cccc3ccnnc32)CC1 ZINC000616619421 350927605 /nfs/dbraw/zinc/92/76/05/350927605.db2.gz NDLHODPKGVWXMB-UHFFFAOYSA-N 1 0 227.311 2.439 10 0 BEAERO CC[NH+]1CCC(c2ccccc2CCO)CC1 ZINC000616619469 350927720 /nfs/dbraw/zinc/92/77/20/350927720.db2.gz PAVXZFZQGCWPAG-UHFFFAOYSA-N 1 0 233.355 2.421 10 0 BEAERO CCn1cc[nH+]c1N[C@H]1CS[C@H](C)C1 ZINC000306746322 350934558 /nfs/dbraw/zinc/93/45/58/350934558.db2.gz JZUUNDXPRAHMHH-RKDXNWHRSA-N 1 0 211.334 2.209 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccnnc2)C1 ZINC000616617873 350879108 /nfs/dbraw/zinc/87/91/08/350879108.db2.gz LVXUCISALKJNQN-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2conn2)C1 ZINC000616618185 350884011 /nfs/dbraw/zinc/88/40/11/350884011.db2.gz QTHMZKHLFPHCGD-VIFPVBQESA-N 1 0 209.293 2.048 10 0 BEAERO CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)s1 ZINC000052020360 350888749 /nfs/dbraw/zinc/88/87/49/350888749.db2.gz SWWNXGVGSUNDCE-YFKPBYRVSA-N 1 0 217.725 2.206 10 0 BEAERO CNC(=[NH2+])N[C@H](C)c1ccc(Cl)s1 ZINC000052020362 350888791 /nfs/dbraw/zinc/88/87/91/350888791.db2.gz SWWNXGVGSUNDCE-RXMQYKEDSA-N 1 0 217.725 2.206 10 0 BEAERO C[C@@H]1CN(Cc2csc(Cl)c2)C[C@@H]1[NH3+] ZINC000306723556 350889937 /nfs/dbraw/zinc/88/99/37/350889937.db2.gz HGMSULUINSTRQC-APPZFPTMSA-N 1 0 230.764 2.181 10 0 BEAERO Cc1oc(-c2cccs2)nc1CC[NH3+] ZINC000011585161 180527991 /nfs/dbraw/zinc/52/79/91/180527991.db2.gz WZACQYRREPKQNH-UHFFFAOYSA-N 1 0 208.286 2.213 10 0 BEAERO Clc1cnc([C@@H]2[NH2+]C[C@@H]2C2CC2)s1 ZINC000306771408 351007799 /nfs/dbraw/zinc/00/77/99/351007799.db2.gz CITMCMMUKGQTGY-HTRCEHHLSA-N 1 0 214.721 2.467 10 0 BEAERO CSCC[NH2+]C[C@@]1(C)CCCS1 ZINC000129040184 350970866 /nfs/dbraw/zinc/97/08/66/350970866.db2.gz HPJCHOGOILDXHF-SECBINFHSA-N 1 0 205.392 2.225 10 0 BEAERO NC(=[NH2+])c1c(Cl)cccc1OC(F)F ZINC000129259918 351020886 /nfs/dbraw/zinc/02/08/86/351020886.db2.gz HDXCBRLKRMSOHU-UHFFFAOYSA-N 1 0 220.606 2.225 10 0 BEAERO [NH3+][C@@H]1CCO[C@H]1c1csc(Br)c1 ZINC000306781341 351026503 /nfs/dbraw/zinc/02/65/03/351026503.db2.gz DSZROMFZORFSFR-SVRRBLITSA-N 1 0 248.145 2.299 10 0 BEAERO C[C@@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)CS1 ZINC000306782880 351028209 /nfs/dbraw/zinc/02/82/09/351028209.db2.gz RAYUIFRYLHSGAV-PWSUYJOCSA-N 1 0 249.383 2.195 10 0 BEAERO C[C@@H](Nc1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000306791705 351040948 /nfs/dbraw/zinc/04/09/48/351040948.db2.gz YRYOKUPSJGZCQF-NKWVEPMBSA-N 1 0 200.232 2.112 10 0 BEAERO C[C@@H]1C[NH2+][C@]2(CCCS[C@H]2C)S1 ZINC000251933988 362990836 /nfs/dbraw/zinc/99/08/36/362990836.db2.gz YZWNJSZOUQPCMA-HRDYMLBCSA-N 1 0 203.376 2.323 10 0 BEAERO CC[C@@H]1CC[C@H]([C@@H]2[NH2+]C[C@H]3CCC[C@H]23)O1 ZINC000306808531 351061221 /nfs/dbraw/zinc/06/12/21/351061221.db2.gz PJGLAWRTQMTWMB-UJPOAAIJSA-N 1 0 209.333 2.332 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1Cc1cncs1 ZINC000159832128 351010379 /nfs/dbraw/zinc/01/03/79/351010379.db2.gz LSZAJMMKTFSVTK-ZJUUUORDSA-N 1 0 210.346 2.451 10 0 BEAERO CNc1cccc([C@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616629995 351101499 /nfs/dbraw/zinc/10/14/99/351101499.db2.gz SRDGNOXPRQHSEY-ZDUSSCGKSA-N 1 0 248.370 2.290 10 0 BEAERO C[N@@H+]1CC[C@H](c2cccc3nnccc32)C1 ZINC000616630769 351103880 /nfs/dbraw/zinc/10/38/80/351103880.db2.gz BCNGANIAZHZXDW-JTQLQIEISA-N 1 0 213.284 2.049 10 0 BEAERO Cc1ncc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)o1 ZINC000398089630 363002134 /nfs/dbraw/zinc/00/21/34/363002134.db2.gz WWIDHBJFSRBDTK-AAEUAGOBSA-N 1 0 249.358 2.042 10 0 BEAERO CNc1ccc([C@@H]2C[N@@H+](C(C)C)CCN2)cc1 ZINC000616632046 351109543 /nfs/dbraw/zinc/10/95/43/351109543.db2.gz FUPJZNNAJXKXAY-AWEZNQCLSA-N 1 0 233.359 2.083 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@H](c3ccnnc3)C2)cc1 ZINC000616632240 351111501 /nfs/dbraw/zinc/11/15/01/351111501.db2.gz LIWZLUNLDGZVOY-HNNXBMFYSA-N 1 0 239.322 2.466 10 0 BEAERO CC[N@@H+]1CCN[C@@H](c2cnc3ccccc3c2)C1 ZINC000616632555 351111965 /nfs/dbraw/zinc/11/19/65/351111965.db2.gz TZINNAOTMSKVRM-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO OCC[N@@H+]1CCCCC[C@H]1c1ccccc1CO ZINC000616633790 351116358 /nfs/dbraw/zinc/11/63/58/351116358.db2.gz RJWJWIJMSUGCDN-HNNXBMFYSA-N 1 0 249.354 2.088 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1cccc2ccncc21 ZINC000616636553 351126622 /nfs/dbraw/zinc/12/66/22/351126622.db2.gz DSMXEEQJLBGLQW-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO C[C@@H](c1ccccc1)N(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079516980 351070324 /nfs/dbraw/zinc/07/03/24/351070324.db2.gz WJRDIPXVTNLFEQ-WFASDCNBSA-N 1 0 246.354 2.348 10 0 BEAERO CC[N@@H+]1CCCCC[C@H]1c1ccncn1 ZINC000616622433 351086194 /nfs/dbraw/zinc/08/61/94/351086194.db2.gz YFGKZAZTAQFJRW-LBPRGKRZSA-N 1 0 205.305 2.414 10 0 BEAERO C[N@@H+]1CCCCC[C@@H]1c1ccnc(N)c1 ZINC000616622829 351087759 /nfs/dbraw/zinc/08/77/59/351087759.db2.gz IFEYUZQNCBFLTB-LLVKDONJSA-N 1 0 205.305 2.041 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616623224 351088717 /nfs/dbraw/zinc/08/87/17/351088717.db2.gz CVYSRCLPJRUOBX-GFCCVEGCSA-N 1 0 232.327 2.454 10 0 BEAERO Nc1ccccc1[C@@H]1CCCCC[N@@H+]1CCO ZINC000616624630 351092069 /nfs/dbraw/zinc/09/20/69/351092069.db2.gz DJMNICBHJNCIRB-AWEZNQCLSA-N 1 0 234.343 2.178 10 0 BEAERO NCC[N@@H+]1CCCCC[C@H]1c1cccc(N)c1 ZINC000616624802 351092759 /nfs/dbraw/zinc/09/27/59/351092759.db2.gz GZAUGEGTRMOJTE-AWEZNQCLSA-N 1 0 233.359 2.145 10 0 BEAERO OCCc1ccccc1[C@H]1CCCC[NH2+]1 ZINC000616625323 351093535 /nfs/dbraw/zinc/09/35/35/351093535.db2.gz JYZKTGVCBHUOFU-CYBMUJFWSA-N 1 0 205.301 2.036 10 0 BEAERO c1cc2nnccc2c([C@@H]2CCCC[NH2+]C2)c1 ZINC000616625393 351093662 /nfs/dbraw/zinc/09/36/62/351093662.db2.gz NWIFJDJYSMVPHP-LLVKDONJSA-N 1 0 227.311 2.487 10 0 BEAERO c1ccc2nnc([C@@H]3CCCC[NH2+]C3)cc2c1 ZINC000616625396 351094084 /nfs/dbraw/zinc/09/40/84/351094084.db2.gz NWMLOYARLXDAEA-GFCCVEGCSA-N 1 0 227.311 2.487 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2ccccc2C(N)=O)C1 ZINC000616629029 351099249 /nfs/dbraw/zinc/09/92/49/351099249.db2.gz NNSRNLUVDHUNPQ-LBPRGKRZSA-N 1 0 246.354 2.375 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H]1c1ccc(N)cc1 ZINC000616641555 351148591 /nfs/dbraw/zinc/14/85/91/351148591.db2.gz IQLZMIIYBWPFFX-ZDUSSCGKSA-N 1 0 220.316 2.051 10 0 BEAERO O=C1CC[C@H]([NH+]2C[C@H]3CCCC[C@@H]3C2)C1 ZINC000306837869 351148677 /nfs/dbraw/zinc/14/86/77/351148677.db2.gz WOPDJHDEEANZJF-UTUOFQBUSA-N 1 0 207.317 2.230 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616654071 351194948 /nfs/dbraw/zinc/19/49/48/351194948.db2.gz LNBVKBGFAUTNIM-CQSZACIVSA-N 1 0 246.354 2.375 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1ccccc1F ZINC000616655345 351192669 /nfs/dbraw/zinc/19/26/69/351192669.db2.gz CBXXLXVVBFELLD-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccccn1 ZINC000616644897 351166151 /nfs/dbraw/zinc/16/61/51/351166151.db2.gz IZRXJRJBVLXCQO-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1ccnnc1 ZINC000616645127 351166958 /nfs/dbraw/zinc/16/69/58/351166958.db2.gz GOGQZMAKPYNTGP-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccnc1 ZINC000616646184 351170196 /nfs/dbraw/zinc/17/01/96/351170196.db2.gz UGIPOKKKINVMIV-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO c1ccc2cc([C@H]3COCCC[NH2+]3)ncc2c1 ZINC000616646427 351171790 /nfs/dbraw/zinc/17/17/90/351171790.db2.gz UORGKFCBPXLAFV-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCCO[C@@H](c2ccccc2F)C1 ZINC000616653578 351193706 /nfs/dbraw/zinc/19/37/06/351193706.db2.gz XXOVRHYXZJQBMN-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2cccc(N)c2)C1 ZINC000616648063 351175465 /nfs/dbraw/zinc/17/54/65/351175465.db2.gz NHZIMNANQZPJCC-ZDUSSCGKSA-N 1 0 220.316 2.051 10 0 BEAERO c1ccc2cc([C@@H]3COCCC[NH2+]3)ncc2c1 ZINC000616648672 351176707 /nfs/dbraw/zinc/17/67/07/351176707.db2.gz UORGKFCBPXLAFV-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CC[N@@H+]1CCCO[C@H](c2cccc(CCO)c2)C1 ZINC000616648818 351177288 /nfs/dbraw/zinc/17/72/88/351177288.db2.gz DBZQQSNXSWPZHI-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccon2)C1 ZINC000616653642 351194042 /nfs/dbraw/zinc/19/40/42/351194042.db2.gz RRAGFNGAQJUGAD-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO COc1ccccc1[C@@H]1COCCC[N@@H+]1C ZINC000616649581 351179229 /nfs/dbraw/zinc/17/92/29/351179229.db2.gz LTGLUKAJVBWSIT-LBPRGKRZSA-N 1 0 221.300 2.088 10 0 BEAERO C[N@@H+]1CCCO[C@H](c2cccc3nnccc32)C1 ZINC000616650921 351180811 /nfs/dbraw/zinc/18/08/11/351180811.db2.gz IUQFRBLUFIDXAZ-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616654079 351194477 /nfs/dbraw/zinc/19/44/77/351194477.db2.gz LYUXCVCNWWHIQU-CQSZACIVSA-N 1 0 246.354 2.375 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2cccnn2)C1 ZINC000616654017 351194493 /nfs/dbraw/zinc/19/44/93/351194493.db2.gz JENYGJPIEFAWLT-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](Nc2ccccn2)C1 ZINC000616653296 351185037 /nfs/dbraw/zinc/18/50/37/351185037.db2.gz LGIULUWGTFOXBJ-CYBMUJFWSA-N 1 0 249.358 2.340 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cnoc2)C1 ZINC000616652646 351185953 /nfs/dbraw/zinc/18/59/53/351185953.db2.gz IEFRXUNVQWOIJC-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO c1cnc2c(c1)cccc2[C@@H]1C[NH2+]CCCO1 ZINC000616651685 351189259 /nfs/dbraw/zinc/18/92/59/351189259.db2.gz FBWAXGCWUCENRX-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616653977 351194814 /nfs/dbraw/zinc/19/48/14/351194814.db2.gz HEJULMTZSVMXNX-SNVBAGLBSA-N 1 0 236.363 2.190 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](n2cccn2)C1 ZINC000616654061 351194881 /nfs/dbraw/zinc/19/48/81/351194881.db2.gz LEBIFFBSXJPKPF-GFCCVEGCSA-N 1 0 207.321 2.319 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccc2ccccc2n1 ZINC000616636652 351128207 /nfs/dbraw/zinc/12/82/07/351128207.db2.gz GJFPXUXAJCDSOQ-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccc2ncccc2c1 ZINC000616636812 351128872 /nfs/dbraw/zinc/12/88/72/351128872.db2.gz DIPJZOHAIVJRPC-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H]1c1ccc(N)cc1 ZINC000616636980 351131568 /nfs/dbraw/zinc/13/15/68/351131568.db2.gz IQLZMIIYBWPFFX-CYBMUJFWSA-N 1 0 220.316 2.051 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1nccc2ccccc21 ZINC000616637391 351133266 /nfs/dbraw/zinc/13/32/66/351133266.db2.gz LYZCOFLMWUYPEP-CQSZACIVSA-N 1 0 241.338 2.201 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccc2cnccc2c1 ZINC000616637207 351133576 /nfs/dbraw/zinc/13/35/76/351133576.db2.gz JGVMXSLXGOMCDA-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616653972 351194907 /nfs/dbraw/zinc/19/49/07/351194907.db2.gz HBBKGAKACYEZOO-LLVKDONJSA-N 1 0 207.321 2.388 10 0 BEAERO C[C@H]([NH3+])c1nc(-c2ccsn2)cs1 ZINC000306825986 351137346 /nfs/dbraw/zinc/13/73/46/351137346.db2.gz YZAUTNJWDJDKQC-YFKPBYRVSA-N 1 0 211.315 2.286 10 0 BEAERO C[C@@H]([NH3+])c1nc(-c2ccsn2)cs1 ZINC000306825985 351137849 /nfs/dbraw/zinc/13/78/49/351137849.db2.gz YZAUTNJWDJDKQC-RXMQYKEDSA-N 1 0 211.315 2.286 10 0 BEAERO Cc1cc(C(=O)C(C)(C)C(C)(C)[NH3+])sn1 ZINC000306827540 351138232 /nfs/dbraw/zinc/13/82/32/351138232.db2.gz DPSDJMKGGIRSAL-UHFFFAOYSA-N 1 0 226.345 2.398 10 0 BEAERO CC(C)(C)[N@@H+]1CCNC[C@H]1c1ccccc1N ZINC000616638580 351140481 /nfs/dbraw/zinc/14/04/81/351140481.db2.gz ZHFAJFHCEFQXSQ-ZDUSSCGKSA-N 1 0 233.359 2.014 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2cnno2)C1 ZINC000616654894 351191825 /nfs/dbraw/zinc/19/18/25/351191825.db2.gz REMLZEGEWASNOG-SNVBAGLBSA-N 1 0 209.293 2.048 10 0 BEAERO CN(Cc1ccccc1)C1=[NH+]CC(C)(C)CN1 ZINC000306860928 351235364 /nfs/dbraw/zinc/23/53/64/351235364.db2.gz GPKWZNQMEKCUJX-UHFFFAOYSA-N 1 0 231.343 2.104 10 0 BEAERO CCN1CC[C@@H](CC[NH3+])c2ccccc21 ZINC000616673614 351237222 /nfs/dbraw/zinc/23/72/22/351237222.db2.gz YGWHDXCRPWXBHF-LLVKDONJSA-N 1 0 204.317 2.349 10 0 BEAERO C[NH2+][C@@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616673467 351237314 /nfs/dbraw/zinc/23/73/14/351237314.db2.gz TZOLWUSTKPXAIJ-GFCCVEGCSA-N 1 0 218.344 2.436 10 0 BEAERO CN1CCc2ccccc2[C@@H]1c1ncccn1 ZINC000616677001 351241703 /nfs/dbraw/zinc/24/17/03/351241703.db2.gz DVBNJGJKVMMBCZ-CYBMUJFWSA-N 1 0 225.295 2.054 10 0 BEAERO C[C@@H]1CSC(NCc2ccsc2)=[NH+]1 ZINC000063154071 351263830 /nfs/dbraw/zinc/26/38/30/351263830.db2.gz VNUDMNCSAOSJRS-SSDOTTSWSA-N 1 0 212.343 2.329 10 0 BEAERO CCN1CCO[C@@H](c2cccc(NC(C)=O)c2)C1 ZINC000616675423 351242905 /nfs/dbraw/zinc/24/29/05/351242905.db2.gz BVSYNPLMDDRFIC-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CCN1CCO[C@@H](c2cccc(NC)c2)C1 ZINC000616678234 351245877 /nfs/dbraw/zinc/24/58/77/351245877.db2.gz VUXTZZUCZFZDFD-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1cnc[nH]1 ZINC000616679742 351246085 /nfs/dbraw/zinc/24/60/85/351246085.db2.gz NYIZBWDSPVIDGY-AWEZNQCLSA-N 1 0 227.311 2.377 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1cccnn1 ZINC000616680467 351247995 /nfs/dbraw/zinc/24/79/95/351247995.db2.gz VJRKAJYKUUGBOV-HNNXBMFYSA-N 1 0 239.322 2.444 10 0 BEAERO CCN1CCc2ccccc2[C@H]1c1conn1 ZINC000616679245 351250188 /nfs/dbraw/zinc/25/01/88/351250188.db2.gz MPPBLWNGPKMWQR-ZDUSSCGKSA-N 1 0 229.283 2.037 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000616684127 351255165 /nfs/dbraw/zinc/25/51/65/351255165.db2.gz CTMSMOOGOCEJTP-QMMMGPOBSA-N 1 0 225.254 2.438 10 0 BEAERO COc1cccc([C@@H]2CCOCC[N@@H+]2C)c1 ZINC000616656888 351197342 /nfs/dbraw/zinc/19/73/42/351197342.db2.gz IXJDKMCHZVNGDI-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO OCC[N@@H+]1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000616657145 351197987 /nfs/dbraw/zinc/19/79/87/351197987.db2.gz ZTTHNPXUHARCMM-CYBMUJFWSA-N 1 0 237.318 2.388 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2cncnc2)C1 ZINC000616657127 351198416 /nfs/dbraw/zinc/19/84/16/351198416.db2.gz YVKHCAOUEZIYIZ-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cnco1 ZINC000616655654 351200349 /nfs/dbraw/zinc/20/03/49/351200349.db2.gz JVPHICCXSFNWRH-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2ncccn2)C1 ZINC000616656462 351202179 /nfs/dbraw/zinc/20/21/79/351202179.db2.gz YCDJEIZXDNCQCZ-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616660497 351204053 /nfs/dbraw/zinc/20/40/53/351204053.db2.gz JDOQZAPJBKKHSX-AWEZNQCLSA-N 1 0 242.322 2.280 10 0 BEAERO c1ccc2c(c1)cncc2[C@@H]1CCOCC[NH2+]1 ZINC000616658719 351205316 /nfs/dbraw/zinc/20/53/16/351205316.db2.gz KPQBXYJJWRPOCI-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO FC(F)[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616659813 351208239 /nfs/dbraw/zinc/20/82/39/351208239.db2.gz IPWKXNVLJJKTCX-LBPRGKRZSA-N 1 0 241.281 2.400 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2ccc(Cl)cc2)C1 ZINC000616660183 351208944 /nfs/dbraw/zinc/20/89/44/351208944.db2.gz SWJKBHBGBJNSIH-LLVKDONJSA-N 1 0 225.719 2.386 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2cnc3ccccc3c2)C1 ZINC000616660898 351213061 /nfs/dbraw/zinc/21/30/61/351213061.db2.gz XITNWTXDHGFBLA-CQSZACIVSA-N 1 0 242.322 2.280 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccncc2)C1 ZINC000616662003 351216842 /nfs/dbraw/zinc/21/68/42/351216842.db2.gz YEOANADVBMZYGH-CYBMUJFWSA-N 1 0 234.343 2.296 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2ccc(OC)cc2)C1 ZINC000616662064 351217499 /nfs/dbraw/zinc/21/74/99/351217499.db2.gz ZXDILYFMRRQLAE-CYBMUJFWSA-N 1 0 235.327 2.131 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616662276 351217836 /nfs/dbraw/zinc/21/78/36/351217836.db2.gz ZXEFIJUTMULGJR-HNNXBMFYSA-N 1 0 242.322 2.280 10 0 BEAERO c1cc2cc([C@H]3CC[NH2+]CCO3)ccc2cn1 ZINC000616664707 351220538 /nfs/dbraw/zinc/22/05/38/351220538.db2.gz ZWKNGLAQFUHCCV-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ncccn2)CC1 ZINC000616665192 351221822 /nfs/dbraw/zinc/22/18/22/351221822.db2.gz ADPQXKXHADVEGW-NSHDSACASA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccnc2N)CC1 ZINC000616665408 351222293 /nfs/dbraw/zinc/22/22/93/351222293.db2.gz HQYLMVDUQBYNKP-LBPRGKRZSA-N 1 0 249.358 2.226 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ncco2)CC1 ZINC000616666373 351226918 /nfs/dbraw/zinc/22/69/18/351226918.db2.gz PQGVHXYGJFGLMI-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO CCOC(=O)N1c2ccccc2CC[C@H]1CC[NH3+] ZINC000616668771 351228242 /nfs/dbraw/zinc/22/82/42/351228242.db2.gz XYRXEULEKUDHOM-LBPRGKRZSA-N 1 0 248.326 2.313 10 0 BEAERO CC[C@H]([NH3+])[C@@H](C)Nc1ccc(Cl)cn1 ZINC000306883100 351287055 /nfs/dbraw/zinc/28/70/55/351287055.db2.gz OLWWPAFHILSXKG-APPZFPTMSA-N 1 0 213.712 2.273 10 0 BEAERO C[C@@H]([NH3+])/C=C/c1cncc(Br)c1 ZINC000231749986 351289977 /nfs/dbraw/zinc/28/99/77/351289977.db2.gz GJULEMMZRXNMNZ-TYWZFMJISA-N 1 0 227.105 2.205 10 0 BEAERO Cc1ccsc1[C@H](C)N1CC[C@@H]([NH3+])C1 ZINC000306902145 351317364 /nfs/dbraw/zinc/31/73/64/351317364.db2.gz POCVEWWMLCNKMB-VHSXEESVSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1ccsc1[C@@H](C)N1CC[C@@H]([NH3+])C1 ZINC000306902144 351317604 /nfs/dbraw/zinc/31/76/04/351317604.db2.gz POCVEWWMLCNKMB-NXEZZACHSA-N 1 0 210.346 2.151 10 0 BEAERO [NH3+][C@H]1COc2c1cc(Cl)c(F)c2F ZINC000306911675 351324283 /nfs/dbraw/zinc/32/42/83/351324283.db2.gz LEEGVWHECZVTHM-YFKPBYRVSA-N 1 0 205.591 2.010 10 0 BEAERO C[NH2+][C@H](c1ccsn1)[C@@]1(C)C[C@H]1F ZINC000306917432 351328440 /nfs/dbraw/zinc/32/84/40/351328440.db2.gz YANMADMMCCSBLG-HLTSFMKQSA-N 1 0 200.282 2.152 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1Nc1ncccc1Cl ZINC000063177480 351269368 /nfs/dbraw/zinc/26/93/68/351269368.db2.gz QQKZPEKGXQVNMG-BDAKNGLRSA-N 1 0 211.696 2.027 10 0 BEAERO CC[C@@H]([NH3+])C(=O)c1ccc(C)c(F)c1F ZINC000231741116 351279182 /nfs/dbraw/zinc/27/91/82/351279182.db2.gz YXRODIDPFFEMNB-MRVPVSSYSA-N 1 0 213.227 2.193 10 0 BEAERO CSCCC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC000231741173 351280278 /nfs/dbraw/zinc/28/02/78/351280278.db2.gz FZOOTLOAYKNEIU-ZDUSSCGKSA-N 1 0 239.384 2.280 10 0 BEAERO C[C@@H]1N(Cc2ccccc2)CC[C@@]12[NH2+]CCS2 ZINC000306987758 351404547 /nfs/dbraw/zinc/40/45/47/351404547.db2.gz QMUMAIYFLCORPO-JSGCOSHPSA-N 1 0 248.395 2.314 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CC(=O)c1ccc[nH]1 ZINC000034989871 351376438 /nfs/dbraw/zinc/37/64/38/351376438.db2.gz TZHHXRNDJWKDKO-JTQLQIEISA-N 1 0 206.289 2.072 10 0 BEAERO CC1(C)CC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306960007 351380739 /nfs/dbraw/zinc/38/07/39/351380739.db2.gz AUBMQRROKCJJIR-LBPRGKRZSA-N 1 0 231.343 2.489 10 0 BEAERO CC1(C(=O)c2ccc(Cl)s2)C[NH2+]C1 ZINC000306985537 351402496 /nfs/dbraw/zinc/40/24/96/351402496.db2.gz WLJZQCRQXFANIO-UHFFFAOYSA-N 1 0 215.705 2.194 10 0 BEAERO Cc1ccc(Cl)c(N2CC[C@H]([NH3+])C2)c1 ZINC000228779204 351348741 /nfs/dbraw/zinc/34/87/41/351348741.db2.gz SWYRHYVYEJZQJA-VIFPVBQESA-N 1 0 210.708 2.186 10 0 BEAERO C[C@@H]([NH2+]C1CCCCC1)C(=O)NC1CCCC1 ZINC000034936734 351350106 /nfs/dbraw/zinc/35/01/06/351350106.db2.gz FJJVGWMIZAFJLY-LLVKDONJSA-N 1 0 238.375 2.356 10 0 BEAERO C[C@H]([NH2+]C1CCCCC1)C(=O)N1CCCCC1 ZINC000034936735 351350327 /nfs/dbraw/zinc/35/03/27/351350327.db2.gz XGLGINGPDHCZNH-LBPRGKRZSA-N 1 0 238.375 2.310 10 0 BEAERO CCCCC[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000034936728 351350341 /nfs/dbraw/zinc/35/03/41/351350341.db2.gz ROBMIPCXXDEIEU-LLVKDONJSA-N 1 0 226.364 2.214 10 0 BEAERO C[C@H]([NH2+]C1CCCCC1)C(=O)NC1CCCC1 ZINC000034936733 351350465 /nfs/dbraw/zinc/35/04/65/351350465.db2.gz FJJVGWMIZAFJLY-NSHDSACASA-N 1 0 238.375 2.356 10 0 BEAERO C[C@@H]1N(Cc2ccccc2)CC[C@]12[NH2+]CCS2 ZINC000306987757 351403846 /nfs/dbraw/zinc/40/38/46/351403846.db2.gz QMUMAIYFLCORPO-GXTWGEPZSA-N 1 0 248.395 2.314 10 0 BEAERO C[C@H]1N(Cc2ccccc2)CC[C@@]12[NH2+]CCS2 ZINC000306987759 351404139 /nfs/dbraw/zinc/40/41/39/351404139.db2.gz QMUMAIYFLCORPO-OCCSQVGLSA-N 1 0 248.395 2.314 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1c(F)cccc1Br ZINC000307038656 351436369 /nfs/dbraw/zinc/43/63/69/351436369.db2.gz HIQCLHHBGVFTLI-YLWLKBPMSA-N 1 0 230.080 2.403 10 0 BEAERO Brc1sccc1C=C1C[NH2+]C1 ZINC000307037626 351438976 /nfs/dbraw/zinc/43/89/76/351438976.db2.gz ZKPGDUARXGQJMX-UHFFFAOYSA-N 1 0 230.130 2.497 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1OCCOCc1ccccc1 ZINC000307054103 351454219 /nfs/dbraw/zinc/45/42/19/351454219.db2.gz WOIMIAPCSMKLFF-UONOGXRCSA-N 1 0 235.327 2.100 10 0 BEAERO Brc1cscc1C1C[NH2+]C1 ZINC000307060260 351457854 /nfs/dbraw/zinc/45/78/54/351457854.db2.gz IXSOCMCVKNDWLZ-UHFFFAOYSA-N 1 0 218.119 2.197 10 0 BEAERO O=C(C[NH+]1CCCCCC1)c1ccc[nH]1 ZINC000307068907 351463550 /nfs/dbraw/zinc/46/35/50/351463550.db2.gz YCBQHFZNESXVBW-UHFFFAOYSA-N 1 0 206.289 2.073 10 0 BEAERO c1cc(CC[NH+]2CCSCC2)cs1 ZINC000307003384 351414173 /nfs/dbraw/zinc/41/41/73/351414173.db2.gz DDZMCDUSFYVTLF-UHFFFAOYSA-N 1 0 213.371 2.339 10 0 BEAERO Cc1cscc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000307012672 351420218 /nfs/dbraw/zinc/42/02/18/351420218.db2.gz LDWPFQGHTFAEGY-SCZZXKLOSA-N 1 0 210.346 2.230 10 0 BEAERO c1ccc(CO[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000307144843 351497802 /nfs/dbraw/zinc/49/78/02/351497802.db2.gz MENKCQJDNKXEKA-BTFPBAQTSA-N 1 0 229.323 2.200 10 0 BEAERO Clc1cnc(SC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095070071 180598161 /nfs/dbraw/zinc/59/81/61/180598161.db2.gz VRYYAMQLOGYMOZ-VIFPVBQESA-N 1 0 243.763 2.364 10 0 BEAERO [NH3+][C@@H](C[C@@H]1CCCCO1)c1ccsn1 ZINC000307160602 351511990 /nfs/dbraw/zinc/51/19/90/351511990.db2.gz DUCSAEFQTNZGOI-IUCAKERBSA-N 1 0 212.318 2.102 10 0 BEAERO Brc1cc(C[C@@H]2C=CC[NH2+]2)co1 ZINC000307125405 351491629 /nfs/dbraw/zinc/49/16/29/351491629.db2.gz ZVOKZACYBURTNN-QMMMGPOBSA-N 1 0 228.089 2.113 10 0 BEAERO Cc1cccc(N[C@H]2CC[NH2+]C2)c1Cl ZINC000300853060 363067259 /nfs/dbraw/zinc/06/72/59/363067259.db2.gz HQFLDIKFEYALGA-VIFPVBQESA-N 1 0 210.708 2.422 10 0 BEAERO CC(C)CO[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000019268638 187486493 /nfs/dbraw/zinc/48/64/93/187486493.db2.gz ZRMVKXRSZHWSTQ-QWHCGFSZSA-N 1 0 205.301 2.284 10 0 BEAERO O=C(NCc1ccccc1)[C@H]1CCCCCC[NH2+]1 ZINC000307206638 351609328 /nfs/dbraw/zinc/60/93/28/351609328.db2.gz LJNDEUQVXVXXHQ-CQSZACIVSA-N 1 0 246.354 2.225 10 0 BEAERO C[NH+](C)CCOC(=O)CCC1CCCCC1 ZINC000001842986 351556441 /nfs/dbraw/zinc/55/64/41/351556441.db2.gz MPOYJPINNSIHAK-UHFFFAOYSA-N 1 0 227.348 2.452 10 0 in-man BEAERO Cn1c(CC[C@H]2CCCC[NH2+]2)nc2cccnc21 ZINC000104317761 180617790 /nfs/dbraw/zinc/61/77/90/180617790.db2.gz NQOBVVKLTGFLEX-LLVKDONJSA-N 1 0 244.342 2.043 10 0 BEAERO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2O)s1 ZINC000252725513 538101002 /nfs/dbraw/zinc/10/10/02/538101002.db2.gz MBAJRFWPUGHICO-JMJZKYOTSA-N 1 0 240.372 2.263 10 0 BEAERO Cc1nc(C(=O)[C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000307253606 351780918 /nfs/dbraw/zinc/78/09/18/351780918.db2.gz VRPPOUFRHOOJOS-DTWKUNHWSA-N 1 0 224.329 2.009 10 0 BEAERO C/C=C/C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000307254033 351787893 /nfs/dbraw/zinc/78/78/93/351787893.db2.gz WQNQTHRFPMVZNT-FGEFZZPRSA-N 1 0 228.336 2.065 10 0 BEAERO C/C=C/C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000307254034 351788146 /nfs/dbraw/zinc/78/81/46/351788146.db2.gz WQNQTHRFPMVZNT-VQCYPWCPSA-N 1 0 228.336 2.065 10 0 BEAERO CCC1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000637916914 351789538 /nfs/dbraw/zinc/78/95/38/351789538.db2.gz WPRXZUBPPMHSHL-YXMLORGKSA-N 1 0 236.359 2.119 10 0 BEAERO CC[NH2+][C@H](C)C(=O)NC1CCC(CC)CC1 ZINC000637920094 351795264 /nfs/dbraw/zinc/79/52/64/351795264.db2.gz WDIRZXKLQAAFGD-VOMCLLRMSA-N 1 0 226.364 2.069 10 0 BEAERO [NH3+]Cc1cccnc1COCc1ccccc1 ZINC000307257528 351795786 /nfs/dbraw/zinc/79/57/86/351795786.db2.gz BGUPOIQMQOGYRC-UHFFFAOYSA-N 1 0 228.295 2.257 10 0 BEAERO Cc1nc([C@H](F)[C@H]2CCC[NH2+]2)cs1 ZINC000307245568 351753461 /nfs/dbraw/zinc/75/34/61/351753461.db2.gz MIVIHGOPWTULSL-VXNVDRBHSA-N 1 0 200.282 2.214 10 0 BEAERO CC[C@H](C)C[NH2+]CC1CC(n2ccnc2)C1 ZINC000725268801 538101226 /nfs/dbraw/zinc/10/12/26/538101226.db2.gz BEMZFCULGRMOIN-HIFPTAJRSA-N 1 0 221.348 2.470 10 0 BEAERO Cc1nsc([C@]2([NH3+])CCCC[C@H]2C)n1 ZINC000307252612 351771044 /nfs/dbraw/zinc/77/10/44/351771044.db2.gz SPJZSPVPSGKDNQ-XCBNKYQSSA-N 1 0 211.334 2.211 10 0 BEAERO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1C[C@@H]1C ZINC000307270780 351824168 /nfs/dbraw/zinc/82/41/68/351824168.db2.gz HZLLIIOTWZNTOU-GARJFASQSA-N 1 0 242.363 2.145 10 0 BEAERO CC[C@@H](NC(=O)[C@H]([NH3+])CCC(C)C)C(C)C ZINC000637950650 351824915 /nfs/dbraw/zinc/82/49/15/351824915.db2.gz HZEWCEPGEMTBNS-VXGBXAGGSA-N 1 0 228.380 2.301 10 0 BEAERO CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(C)C)C(C)C ZINC000637950648 351825268 /nfs/dbraw/zinc/82/52/68/351825268.db2.gz HZEWCEPGEMTBNS-NWDGAFQWSA-N 1 0 228.380 2.301 10 0 BEAERO CNC(=[NH2+])Nc1c(F)cccc1Br ZINC000232140115 351854451 /nfs/dbraw/zinc/85/44/51/351854451.db2.gz WMWHPXKJGHEZHQ-UHFFFAOYSA-N 1 0 246.083 2.154 10 0 BEAERO Cc1nsc([C@]2([NH3+])CCC[C@@H](C)C2)n1 ZINC000307303050 351928525 /nfs/dbraw/zinc/92/85/25/351928525.db2.gz FOUMACPHNXICBC-XCBNKYQSSA-N 1 0 211.334 2.211 10 0 BEAERO C[NH2+]C[C@@H](NC1CC1)c1ccc(Cl)cc1 ZINC000725269153 538101613 /nfs/dbraw/zinc/10/16/13/538101613.db2.gz MNZCRXFRXRAZDS-GFCCVEGCSA-N 1 0 224.735 2.353 10 0 BEAERO COc1ccc(CC[N@@H+]2CCC[C@H](O)[C@H]2C)cc1 ZINC000296156061 187526645 /nfs/dbraw/zinc/52/66/45/187526645.db2.gz KHVWQAAYMWPBHT-DOMZBBRYSA-N 1 0 249.354 2.083 10 0 BEAERO Nc1c(F)cccc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000638084959 351961381 /nfs/dbraw/zinc/96/13/81/351961381.db2.gz SIMIJIYNWMDITN-BXKDBHETSA-N 1 0 220.291 2.392 10 0 BEAERO [NH3+][C@@H](c1cnsc1)C1CCSCC1 ZINC000404731544 351994503 /nfs/dbraw/zinc/99/45/03/351994503.db2.gz RCPTWQIFIAURQS-SECBINFHSA-N 1 0 214.359 2.286 10 0 BEAERO Cn1cc([C@@H]([NH3+])CCc2ccccc2)cn1 ZINC000026514320 180665650 /nfs/dbraw/zinc/66/56/50/180665650.db2.gz ODBLLBHBKNCLMV-ZDUSSCGKSA-N 1 0 215.300 2.053 10 0 BEAERO Cn1cc([C@H](C[NH3+])Sc2cccs2)cn1 ZINC000043237854 180671007 /nfs/dbraw/zinc/67/10/07/180671007.db2.gz ZTUJMHYDLVUEBL-VIFPVBQESA-N 1 0 239.369 2.274 10 0 BEAERO C[C@@H]([NH3+])CC(=O)Nc1ccsc1Cl ZINC000307342317 352091770 /nfs/dbraw/zinc/09/17/70/352091770.db2.gz VPCUJMQSFWNRQM-RXMQYKEDSA-N 1 0 218.709 2.077 10 0 BEAERO F[C@H](c1cscn1)[C@H]1CCCC[NH2+]1 ZINC000307347901 352102880 /nfs/dbraw/zinc/10/28/80/352102880.db2.gz NKPAKBBAZAXTPV-APPZFPTMSA-N 1 0 200.282 2.296 10 0 BEAERO CC[C@H](CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1)C(C)(C)C ZINC000638333904 352152358 /nfs/dbraw/zinc/15/23/58/352152358.db2.gz VXIREEUVPYFAFX-TUAOUCFPSA-N 1 0 240.391 2.254 10 0 BEAERO CC1(C)CS[C@H]([C@H]2CCSC2)[NH2+]1 ZINC000224676294 363117348 /nfs/dbraw/zinc/11/73/48/363117348.db2.gz XUVDSWDTMMMHHZ-JGVFFNPUSA-N 1 0 203.376 2.181 10 0 BEAERO CC(C)n1c[nH+]c([C@H]2CCSC2)c1N ZINC000224660820 363112963 /nfs/dbraw/zinc/11/29/63/363112963.db2.gz ZQFQKAKZCGKNKL-QMMMGPOBSA-N 1 0 211.334 2.267 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000252112648 363123472 /nfs/dbraw/zinc/12/34/72/363123472.db2.gz JTOHFWFQBVOXBU-JHJVBQTASA-N 1 0 244.448 2.446 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NC(CC)(C1CC1)C1CC1 ZINC000638507792 352329441 /nfs/dbraw/zinc/32/94/41/352329441.db2.gz AVTPZGRKAZZSQX-GFCCVEGCSA-N 1 0 238.375 2.199 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000394874951 352341905 /nfs/dbraw/zinc/34/19/05/352341905.db2.gz WCJQRMWSYBDXDQ-UPJWGTAASA-N 1 0 223.360 2.460 10 0 BEAERO CCCC(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725271438 538102976 /nfs/dbraw/zinc/10/29/76/538102976.db2.gz MZKGRCMUUFHQDZ-LLVKDONJSA-N 1 0 218.300 2.371 10 0 BEAERO CCCCCC[NH2+]C[C@H](O)COC1CCCC1 ZINC000070192290 168667534 /nfs/dbraw/zinc/66/75/34/168667534.db2.gz FXIJNGLUUYPNPW-ZDUSSCGKSA-N 1 0 243.391 2.476 10 0 BEAERO CC(C)(C)[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271588 538103529 /nfs/dbraw/zinc/10/35/29/538103529.db2.gz QCDDXZVUSJVBFA-ZPFDUUQYSA-N 1 0 209.333 2.332 10 0 BEAERO C[NH2+]C[C@]1(C)CC[C@@](C)(C(F)(F)F)O1 ZINC000307387324 352548006 /nfs/dbraw/zinc/54/80/06/352548006.db2.gz CLKWOCCZWZNHAE-YUMQZZPRSA-N 1 0 211.227 2.096 10 0 BEAERO COc1cc(C[NH3+])ccc1C(=O)OC(C)(C)C ZINC000725272396 538104062 /nfs/dbraw/zinc/10/40/62/538104062.db2.gz CSDMRQRPDAQYDJ-UHFFFAOYSA-N 1 0 237.299 2.109 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2=O)C1 ZINC000252175116 363190812 /nfs/dbraw/zinc/19/08/12/363190812.db2.gz OUWGDFAKIPYQCJ-VXGBXAGGSA-N 1 0 209.333 2.478 10 0 BEAERO CC(C)[C@@H]1C[C@@H](N(C(C)C)C(C)C)C[NH2+]1 ZINC000725272372 538104142 /nfs/dbraw/zinc/10/41/42/538104142.db2.gz MDDNWZRIYFOHEM-OLZOCXBDSA-N 1 0 212.381 2.492 10 0 BEAERO CC(C)(C)OC(=O)c1ccccc1C1C[NH2+]C1 ZINC000725272356 538104163 /nfs/dbraw/zinc/10/41/63/538104163.db2.gz CADOECHAMNWYHF-UHFFFAOYSA-N 1 0 233.311 2.329 10 0 BEAERO CCCc1ccc([C@H]2CC[NH2+]C[C@@H]2N)cc1 ZINC000725272758 538104205 /nfs/dbraw/zinc/10/42/05/538104205.db2.gz UXVXUJLMGUSDCS-KGLIPLIRSA-N 1 0 218.344 2.043 10 0 BEAERO CCCN(CCC)[C@@H]1C[NH2+][C@@H](C(C)C)C1 ZINC000725272550 538104400 /nfs/dbraw/zinc/10/44/00/538104400.db2.gz PKNLRHSGOHJKHP-QWHCGFSZSA-N 1 0 212.381 2.495 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2cccc(C)n2)C1 ZINC000040503206 352598418 /nfs/dbraw/zinc/59/84/18/352598418.db2.gz ZHMBZRAUZUGJKN-GFCCVEGCSA-N 1 0 219.332 2.286 10 0 BEAERO C/C(=C\Cl)COC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000300733845 352571476 /nfs/dbraw/zinc/57/14/76/352571476.db2.gz FMTHAVYCCHTCKJ-UQGOOXLTSA-N 1 0 215.724 2.429 10 0 BEAERO [NH3+]C1(C(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000307400007 352572045 /nfs/dbraw/zinc/57/20/45/352572045.db2.gz YHICFPFSNQULSI-QMMMGPOBSA-N 1 0 217.259 2.262 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1ncc(Cl)s1 ZINC000300763935 352573728 /nfs/dbraw/zinc/57/37/28/352573728.db2.gz NQOKDMCPXVUCSY-PHDIDXHHSA-N 1 0 202.710 2.247 10 0 BEAERO CC(C)([NH3+])[C@H](O)Cc1sccc1Cl ZINC000307408679 352579617 /nfs/dbraw/zinc/57/96/17/352579617.db2.gz HNJMASVOQBSIFE-MRVPVSSYSA-N 1 0 219.737 2.042 10 0 BEAERO CN(Cc1ccccc1)C1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000307477201 352617948 /nfs/dbraw/zinc/61/79/48/352617948.db2.gz MCZDTTSOFNRWEH-OKILXGFUSA-N 1 0 243.354 2.389 10 0 BEAERO C[C@@H]1SCC[C@H]1NC(=[NH2+])C(C)(C)C ZINC000307536366 352639799 /nfs/dbraw/zinc/63/97/99/352639799.db2.gz SUEGCYCRIHCDTO-JGVFFNPUSA-N 1 0 200.351 2.493 10 0 BEAERO CSC1([C@@H]2[NH2+]CCCS2)CCC1 ZINC000307568507 352657341 /nfs/dbraw/zinc/65/73/41/352657341.db2.gz VWNSSUJRADIZQD-MRVPVSSYSA-N 1 0 203.376 2.325 10 0 BEAERO C/C(=C\C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000077328342 187772704 /nfs/dbraw/zinc/77/27/04/187772704.db2.gz ZQERMKOZOKWLFJ-BJMVGYQFSA-N 1 0 219.284 2.210 10 0 BEAERO CC(C)([NH3+])CCc1ccc2c(c1)CCO2 ZINC000077298984 187773101 /nfs/dbraw/zinc/77/31/01/187773101.db2.gz QNJDVBFIRCBCDU-UHFFFAOYSA-N 1 0 205.301 2.291 10 0 BEAERO C[NH2+]Cc1nnc(-c2csc(C)c2)s1 ZINC000307589519 352661979 /nfs/dbraw/zinc/66/19/79/352661979.db2.gz FTVNEDJKLARJSF-UHFFFAOYSA-N 1 0 225.342 2.294 10 0 BEAERO CC1(C)CN(C(=[NH2+])NCc2ccccc2)C1 ZINC000307613006 352669283 /nfs/dbraw/zinc/66/92/83/352669283.db2.gz JAPVYRUOCSWDSC-UHFFFAOYSA-N 1 0 217.316 2.053 10 0 BEAERO CCSCC[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000133879671 352632905 /nfs/dbraw/zinc/63/29/05/352632905.db2.gz ORQVHNYYWFVQPA-SFYZADRCSA-N 1 0 245.310 2.031 10 0 BEAERO [NH3+]C[C@@]1(C[C@H]2CCCCO2)CCCS1 ZINC000307523361 352634233 /nfs/dbraw/zinc/63/42/33/352634233.db2.gz IGXIHHKMPUEDNV-MNOVXSKESA-N 1 0 215.362 2.170 10 0 BEAERO C[C@H]1CSC[C@@]12[NH2+]C(C)(C)CS2 ZINC000307621307 352691663 /nfs/dbraw/zinc/69/16/63/352691663.db2.gz BVLVBJUWQANWJX-CBAPKCEASA-N 1 0 203.376 2.181 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)c1cscn1 ZINC000307624845 352702039 /nfs/dbraw/zinc/70/20/39/352702039.db2.gz IXUNESRJOPJCSY-BDAKNGLRSA-N 1 0 224.329 2.233 10 0 BEAERO CSC1([C@@H]2[NH2+][C@H](C)CS2)CCC1 ZINC000307626767 352707521 /nfs/dbraw/zinc/70/75/21/352707521.db2.gz IALHFJRWSBCCSS-HTQZYQBOSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@@H]1C[NH2+][C@H](c2ccc3c(c2)OCO3)C1 ZINC000003704357 187815053 /nfs/dbraw/zinc/81/50/53/187815053.db2.gz VYZZRBCMRUYOJJ-WPRPVWTQSA-N 1 0 205.257 2.086 10 0 BEAERO CC[C@](C)(C(C)=O)[N@@H+]1CCSC[C@H]1C ZINC000307618591 352675971 /nfs/dbraw/zinc/67/59/71/352675971.db2.gz ZCKKCZGAIKRQTM-MWLCHTKSSA-N 1 0 215.362 2.181 10 0 BEAERO COc1ccc([C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000034122162 187832677 /nfs/dbraw/zinc/83/26/77/187832677.db2.gz REDIVKCRDWMSQC-DTWKUNHWSA-N 1 0 209.289 2.155 10 0 BEAERO OCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000334191394 352781840 /nfs/dbraw/zinc/78/18/40/352781840.db2.gz JTRWVEFUVHOAOK-UONOGXRCSA-N 1 0 217.312 2.163 10 0 BEAERO [NH3+][C@@H]1CCC[C@](F)(c2cnsc2)C1 ZINC000405072169 352791486 /nfs/dbraw/zinc/79/14/86/352791486.db2.gz HHMYCPQAQWQBHE-RKDXNWHRSA-N 1 0 200.282 2.209 10 0 BEAERO Cn1nc(C[NH3+])cc1-c1ccc(Cl)s1 ZINC000082540972 180804748 /nfs/dbraw/zinc/80/47/48/180804748.db2.gz MGPRFPMOMGNTBY-UHFFFAOYSA-N 1 0 227.720 2.261 10 0 BEAERO COC(=O)CCC[NH2+][C@H](C)c1csc(C)n1 ZINC000037417148 358473340 /nfs/dbraw/zinc/47/33/40/358473340.db2.gz YFDZTZHYBDIDJG-MRVPVSSYSA-N 1 0 242.344 2.055 10 0 BEAERO CCCCCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055126536 168685281 /nfs/dbraw/zinc/68/52/81/168685281.db2.gz OLDAWVCYRYAIPU-XQQFMLRXSA-N 1 0 240.391 2.399 10 0 BEAERO Brc1coc(C[NH2+]C2CC2)c1 ZINC000306441631 353015052 /nfs/dbraw/zinc/01/50/52/353015052.db2.gz JLDZVFRSNHCFQV-UHFFFAOYSA-N 1 0 216.078 2.294 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638858336 353034603 /nfs/dbraw/zinc/03/46/03/353034603.db2.gz NWCGKXQWMZHXBQ-XHJNMGKDSA-N 1 0 223.360 2.316 10 0 BEAERO CC[C@@](C)(NC(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000638858593 353034889 /nfs/dbraw/zinc/03/48/89/353034889.db2.gz UCAXQVGABSGPSO-WCQYABFASA-N 1 0 226.364 2.055 10 0 BEAERO CCC([NH3+])(CC)CNc1nccnc1C(F)F ZINC000261551579 535194848 /nfs/dbraw/zinc/19/48/48/535194848.db2.gz MGSYALKTDRGIIG-UHFFFAOYSA-N 1 0 244.289 2.344 10 0 BEAERO CN(Cc1ccccc1)[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000306229844 352998101 /nfs/dbraw/zinc/99/81/01/352998101.db2.gz JYFFRNSNZOWEBP-RFBLXINOSA-N 1 0 242.366 2.115 10 0 BEAERO CCC1(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CCCC1 ZINC000638890269 353058673 /nfs/dbraw/zinc/05/86/73/353058673.db2.gz DHXNSFCDWDTNBM-VXGBXAGGSA-N 1 0 238.375 2.010 10 0 BEAERO Cc1nc(C)c([C@@H]2[NH2+][C@H](C)CS2)s1 ZINC000307444264 353076986 /nfs/dbraw/zinc/07/69/86/353076986.db2.gz UROXZLCLRHYNGS-MLUIRONXSA-N 1 0 214.359 2.483 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638865393 353038917 /nfs/dbraw/zinc/03/89/17/353038917.db2.gz GDGAITWCUAVOQR-CYBMUJFWSA-N 1 0 226.364 2.071 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000638864885 353039167 /nfs/dbraw/zinc/03/91/67/353039167.db2.gz DAMIIJWSXUTRDQ-RYUDHWBXSA-N 1 0 240.391 2.304 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]C1CCC(F)CC1 ZINC000307723567 353111488 /nfs/dbraw/zinc/11/14/88/353111488.db2.gz VLRXISUOGWRIJM-SFXRXQKFSA-N 1 0 201.285 2.034 10 0 BEAERO Nc1ccc(C[NH+]2CC=CC2)cc1Cl ZINC000307527202 353080542 /nfs/dbraw/zinc/08/05/42/353080542.db2.gz KHLHXSFWDKVSSD-UHFFFAOYSA-N 1 0 208.692 2.294 10 0 BEAERO CC(C)([NH3+])C[C@H](F)C(F)(F)Br ZINC000307618827 353088016 /nfs/dbraw/zinc/08/80/16/353088016.db2.gz UUVZLJDGSAUOJC-BYPYZUCNSA-N 1 0 234.059 2.440 10 0 BEAERO CC(C)C1CC[NH+]([C@@H]2CCCC2=O)CC1 ZINC000232544189 353122015 /nfs/dbraw/zinc/12/20/15/353122015.db2.gz QNECTUBFXOEXKN-GFCCVEGCSA-N 1 0 209.333 2.476 10 0 BEAERO CSc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860455 353122585 /nfs/dbraw/zinc/12/25/85/353122585.db2.gz QJXGVYBZUDLRAP-UHFFFAOYSA-N 1 0 200.694 2.346 10 0 BEAERO COC(=O)[C@@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000398759440 353137122 /nfs/dbraw/zinc/13/71/22/353137122.db2.gz VFEHREPKQXLOIQ-GFCCVEGCSA-N 1 0 225.332 2.062 10 0 BEAERO CC(C)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000217120925 188075622 /nfs/dbraw/zinc/07/56/22/188075622.db2.gz CUJULBUUCLUYIE-QWRGUYRKSA-N 1 0 242.363 2.288 10 0 BEAERO CC(C)C[C@@H](C(=O)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000308915606 538108877 /nfs/dbraw/zinc/10/88/77/538108877.db2.gz IFIACWZRAKZWAQ-NEPJUHHUSA-N 1 0 209.333 2.380 10 0 BEAERO COc1ccc(CC[N@@H+]2CCC[C@H](O)[C@@H]2C)cc1 ZINC000296156080 188096508 /nfs/dbraw/zinc/09/65/08/188096508.db2.gz KHVWQAAYMWPBHT-WFASDCNBSA-N 1 0 249.354 2.083 10 0 BEAERO [NH3+]CCCc1cc2c(cc1Cl)OCC2 ZINC000082321623 188097492 /nfs/dbraw/zinc/09/74/92/188097492.db2.gz BGGMIZRJJVWFCC-UHFFFAOYSA-N 1 0 211.692 2.166 10 0 BEAERO CC[C@@H]1CC[NH2+][C@@H](CP(=O)(OC)OC)C1 ZINC000308937546 538109496 /nfs/dbraw/zinc/10/94/96/538109496.db2.gz QOJDMVRVVSBJHW-NXEZZACHSA-N 1 0 235.264 2.251 10 0 BEAERO CC[C@H]1CC[NH2+][C@H](CP(=O)(OC)OC)C1 ZINC000308937547 538109506 /nfs/dbraw/zinc/10/95/06/538109506.db2.gz QOJDMVRVVSBJHW-UWVGGRQHSA-N 1 0 235.264 2.251 10 0 BEAERO CCC[C@H]([NH3+])C(=O)Nc1nc(C(C)C)cs1 ZINC000049237316 353161641 /nfs/dbraw/zinc/16/16/41/353161641.db2.gz WDRZHBGBSRTURW-QMMMGPOBSA-N 1 0 241.360 2.332 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)NCCC1=CCCCC1 ZINC000011960898 188104788 /nfs/dbraw/zinc/10/47/88/188104788.db2.gz DOGVIHUNYXYWEZ-ZDUSSCGKSA-N 1 0 238.375 2.367 10 0 BEAERO CC(C)C[C@@H](C[NH3+])N1CCc2ccccc21 ZINC000022171464 188109122 /nfs/dbraw/zinc/10/91/22/188109122.db2.gz ONSBQCRCVJXZNP-ZDUSSCGKSA-N 1 0 218.344 2.423 10 0 BEAERO Cc1cccc(C(=O)Nc2cccc(C[NH3+])c2)n1 ZINC000022175981 188109549 /nfs/dbraw/zinc/10/95/49/188109549.db2.gz YFAWCBUHFPVRCF-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO C=COCCC[NH2+]Cc1cccc2c1OCO2 ZINC000036168214 188112631 /nfs/dbraw/zinc/11/26/31/188112631.db2.gz SKFTUWGYWSNSOI-UHFFFAOYSA-N 1 0 235.283 2.055 10 0 BEAERO C[C@H]([NH3+])c1ccccc1N(C)C1CCOCC1 ZINC000036321423 188112782 /nfs/dbraw/zinc/11/27/82/188112782.db2.gz DYINZXRDRKSBID-NSHDSACASA-N 1 0 234.343 2.322 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)N(CC(C)C)C(C)C ZINC000037810177 188114474 /nfs/dbraw/zinc/11/44/74/188114474.db2.gz BYRVBMRYZOZWGX-LBPRGKRZSA-N 1 0 228.380 2.253 10 0 BEAERO COc1ccc([C@@H](N)[C@@H](C)[N@H+](C)CC2CC2)cc1 ZINC000037925415 188115120 /nfs/dbraw/zinc/11/51/20/188115120.db2.gz IXKNXVHGBVFMRX-ABAIWWIYSA-N 1 0 248.370 2.425 10 0 BEAERO CN(CC1CC1)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000037925195 188115343 /nfs/dbraw/zinc/11/53/43/188115343.db2.gz VDFRWUOEOJJOAP-ZDUSSCGKSA-N 1 0 240.297 2.306 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037807378 188115373 /nfs/dbraw/zinc/11/53/73/188115373.db2.gz OBOSXILGHYDXTK-GWCFXTLKSA-N 1 0 226.364 2.007 10 0 BEAERO CC(=O)Nc1ccccc1[C@@H]1CCC[NH2+]C1 ZINC000075905304 188115572 /nfs/dbraw/zinc/11/55/72/188115572.db2.gz AAPFXSGJJREQRJ-LLVKDONJSA-N 1 0 218.300 2.112 10 0 BEAERO CC(=O)Nc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000075905773 188115930 /nfs/dbraw/zinc/11/59/30/188115930.db2.gz BDWZOPMIJLPUGZ-CYBMUJFWSA-N 1 0 218.300 2.460 10 0 BEAERO CC(C)([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000040911220 188117805 /nfs/dbraw/zinc/11/78/05/188117805.db2.gz RFJOOFFCZARKSC-UHFFFAOYSA-N 1 0 209.680 2.410 10 0 BEAERO Cc1cc(C)cc([C@@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041233214 188118856 /nfs/dbraw/zinc/11/88/56/188118856.db2.gz WZALAXBIONJAGI-OCCSQVGLSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1nnc(Sc2ccc([C@H](C)[NH3+])cc2)[nH]1 ZINC000041062569 188119013 /nfs/dbraw/zinc/11/90/13/188119013.db2.gz JWXYXIXOCQSCJW-ZETCQYMHSA-N 1 0 234.328 2.284 10 0 BEAERO Cc1ccc(F)c(N2CC[NH2+]C[C@H](C)C2)c1 ZINC000042325612 188119417 /nfs/dbraw/zinc/11/94/17/188119417.db2.gz IZYHKNSMTJJAIS-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO CC(C)([NH3+])c1nc2c(s1)CSCC2 ZINC000042335339 188119916 /nfs/dbraw/zinc/11/99/16/188119916.db2.gz PKKXOWFRUCVNEN-UHFFFAOYSA-N 1 0 214.359 2.126 10 0 BEAERO CCc1nccn1-c1ccc([C@H](C)[NH3+])cc1 ZINC000042419917 188120023 /nfs/dbraw/zinc/12/00/23/188120023.db2.gz WCPGBVYDQCJEPT-JTQLQIEISA-N 1 0 215.300 2.454 10 0 BEAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(N)nc1 ZINC000049554993 188124231 /nfs/dbraw/zinc/12/42/31/188124231.db2.gz VTFSKZRUBYVFMP-LBPRGKRZSA-N 1 0 236.363 2.052 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ccc(N)nc1 ZINC000049554994 188124611 /nfs/dbraw/zinc/12/46/11/188124611.db2.gz VTFSKZRUBYVFMP-GFCCVEGCSA-N 1 0 236.363 2.052 10 0 BEAERO C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000049707626 188125715 /nfs/dbraw/zinc/12/57/15/188125715.db2.gz IKWPFWDOZSTBSE-GXTWGEPZSA-N 1 0 248.370 2.268 10 0 BEAERO C[N@@H+]1CCC[C@@H](CNc2cc(F)ccc2N)C1 ZINC000052122049 188126071 /nfs/dbraw/zinc/12/60/71/188126071.db2.gz ZYIZEIKJGSRVKW-JTQLQIEISA-N 1 0 237.322 2.162 10 0 BEAERO CC(C)([NH3+])CCc1nncn1C1CCCC1 ZINC000054526312 188126963 /nfs/dbraw/zinc/12/69/63/188126963.db2.gz NFXABTBBABAOLM-UHFFFAOYSA-N 1 0 222.336 2.063 10 0 BEAERO CC(C)N(C)C(=O)CCC1CCC([NH3+])CC1 ZINC000055123231 188127224 /nfs/dbraw/zinc/12/72/24/188127224.db2.gz PSDBZOIBDNPYBF-UHFFFAOYSA-N 1 0 226.364 2.151 10 0 BEAERO c1ncn([C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)n1 ZINC000066539522 188129510 /nfs/dbraw/zinc/12/95/10/188129510.db2.gz SQOSOKJVZSZJFB-QWHCGFSZSA-N 1 0 232.331 2.024 10 0 BEAERO CC[C@@H]1CN(Cc2ccccn2)[C@H](CC)C[NH2+]1 ZINC000083360309 188142663 /nfs/dbraw/zinc/14/26/63/188142663.db2.gz HJCZAFAKMDOCAW-TZMCWYRMSA-N 1 0 233.359 2.044 10 0 BEAERO CC1(C)Cc2c(ccn2-c2ncc[nH]2)[C@H]([NH3+])C1 ZINC000104108084 188150829 /nfs/dbraw/zinc/15/08/29/188150829.db2.gz YEALXEZQVQFXBX-SNVBAGLBSA-N 1 0 230.315 2.173 10 0 BEAERO C[C@H]1C[NH2+]C[C@H]1c1nnc(C2CCCCC2)[nH]1 ZINC000104211225 188151383 /nfs/dbraw/zinc/15/13/83/188151383.db2.gz ABVMFGAMMKOXRE-GXSJLCMTSA-N 1 0 234.347 2.175 10 0 BEAERO CCc1nccn1-c1ccc(C[C@@H](C)[NH3+])cc1F ZINC000104295074 188151428 /nfs/dbraw/zinc/15/14/28/188151428.db2.gz BECRWDXGTIYTOX-SNVBAGLBSA-N 1 0 247.317 2.464 10 0 BEAERO CC1(C)C[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000044368816 188152354 /nfs/dbraw/zinc/15/23/54/188152354.db2.gz YKDFAGTUWWNUFL-LLVKDONJSA-N 1 0 211.349 2.460 10 0 BEAERO CC1CCC([C@@H]([NH3+])c2cnn(C)c2)CC1 ZINC000044983624 188152863 /nfs/dbraw/zinc/15/28/63/188152863.db2.gz ZRLHOVDETKAZLQ-RTYFJBAXSA-N 1 0 207.321 2.246 10 0 BEAERO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000638994998 353235362 /nfs/dbraw/zinc/23/53/62/353235362.db2.gz UTZYZNBQJFLYOB-MWLCHTKSSA-N 1 0 238.356 2.370 10 0 BEAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000638994997 353235426 /nfs/dbraw/zinc/23/54/26/353235426.db2.gz UTZYZNBQJFLYOB-KOLCDFICSA-N 1 0 238.356 2.370 10 0 BEAERO C1CC([NH2+][C@@H]2CCN(C3CCCC3)C2)C1 ZINC000134682491 188156134 /nfs/dbraw/zinc/15/61/34/188156134.db2.gz UZSNPPGTZNGCGO-GFCCVEGCSA-N 1 0 208.349 2.145 10 0 BEAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000134236898 188156397 /nfs/dbraw/zinc/15/63/97/188156397.db2.gz TUUQARVAMJHLRY-SLEUVZQESA-N 1 0 249.354 2.393 10 0 BEAERO Cc1ccc(COC[C@@H]2CCC[NH2+]C2)o1 ZINC000051815428 188157299 /nfs/dbraw/zinc/15/72/99/188157299.db2.gz FLQSRPRJMTYDEB-LLVKDONJSA-N 1 0 209.289 2.104 10 0 BEAERO Cc1cc[nH+]c(NC[C@H](O)C2CCCC2)c1 ZINC000301667185 188160719 /nfs/dbraw/zinc/16/07/19/188160719.db2.gz XDRGTVVQKAGFKM-LBPRGKRZSA-N 1 0 220.316 2.353 10 0 BEAERO Cn1nc(-c2ccc(Cl)cc2)cc1C[NH3+] ZINC000009280254 188161198 /nfs/dbraw/zinc/16/11/98/188161198.db2.gz OFBVZGJMQYGLNA-UHFFFAOYSA-N 1 0 221.691 2.199 10 0 BEAERO FC(F)(F)c1cccc(NCC[NH2+]C2CC2)n1 ZINC000054267778 180894439 /nfs/dbraw/zinc/89/44/39/180894439.db2.gz KJVGBQDCBSLFTE-UHFFFAOYSA-N 1 0 245.248 2.264 10 0 BEAERO CC(C)[C@H](C)[NH2+]CCN1CCCC[C@H]1C ZINC000053343453 188164559 /nfs/dbraw/zinc/16/45/59/188164559.db2.gz SKBLASTUPTVFOX-OLZOCXBDSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)(C)c1ccc(C2=[NH+]CCN2)cc1 ZINC000013806045 188166351 /nfs/dbraw/zinc/16/63/51/188166351.db2.gz JRUYKUSXUFPDNO-UHFFFAOYSA-N 1 0 202.301 2.334 10 0 in-vivo BEAERO CC(C)[N@@H+](Cc1nc2ccccc2o1)C[C@H](C)O ZINC000107044087 188166899 /nfs/dbraw/zinc/16/68/99/188166899.db2.gz JFRMSIOMSTVQNM-NSHDSACASA-N 1 0 248.326 2.419 10 0 BEAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cs1 ZINC000638994097 353228586 /nfs/dbraw/zinc/22/85/86/353228586.db2.gz INNJWDZHSKQMLI-GXSJLCMTSA-N 1 0 238.356 2.383 10 0 BEAERO CC(C)C[C@@](C)(CN)[N@@H+]1CCC[C@@H](C)C1 ZINC000019807701 188173417 /nfs/dbraw/zinc/17/34/17/188173417.db2.gz PVHVFLBNGCPXJC-OLZOCXBDSA-N 1 0 212.381 2.482 10 0 BEAERO CC(C)(C)c1c(C[NH3+])cncc1OC1CC1 ZINC000095738157 188146207 /nfs/dbraw/zinc/14/62/07/188146207.db2.gz PFMIDTHFKUCALQ-UHFFFAOYSA-N 1 0 220.316 2.379 10 0 BEAERO FC(F)(F)c1csc(C[C@H]2CCC[NH2+]2)n1 ZINC000053252858 180898236 /nfs/dbraw/zinc/89/82/36/180898236.db2.gz UMBIGWJOGPVDRY-ZCFIWIBFSA-N 1 0 236.262 2.456 10 0 BEAERO C[NH2+][C@@H](c1cncs1)C1=COCCC1 ZINC000160137092 353250243 /nfs/dbraw/zinc/25/02/43/353250243.db2.gz SCVNFFPDFDOOGG-SNVBAGLBSA-N 1 0 210.302 2.098 10 0 BEAERO CC(C)(C[NH3+])Oc1ccc2c(c1)CCC2 ZINC000020398640 188176661 /nfs/dbraw/zinc/17/66/61/188176661.db2.gz NEUGDUTZBCYYPF-UHFFFAOYSA-N 1 0 205.301 2.291 10 0 BEAERO CC(C)C[C@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121134341 188177968 /nfs/dbraw/zinc/17/79/68/188177968.db2.gz UYXBLUGVVCWAOL-ZJUUUORDSA-N 1 0 239.281 2.420 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc(F)cc1 ZINC000032012537 188181098 /nfs/dbraw/zinc/18/10/98/188181098.db2.gz CZKFUUXODKJMEV-NEPJUHHUSA-N 1 0 211.280 2.233 10 0 BEAERO C[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000163156964 538112488 /nfs/dbraw/zinc/11/24/88/538112488.db2.gz WEAOVLDAAYJHKF-CHWSQXEVSA-N 1 0 224.392 2.449 10 0 BEAERO CC(C)(O)CC[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000366096297 188189729 /nfs/dbraw/zinc/18/97/29/188189729.db2.gz NTIZDBRKHVRGEJ-NWDGAFQWSA-N 1 0 211.349 2.412 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1Sc1cccc(O)c1 ZINC000126953792 353261188 /nfs/dbraw/zinc/26/11/88/353261188.db2.gz AQYUHDFNSGDEGW-MNOVXSKESA-N 1 0 209.314 2.364 10 0 BEAERO C[C@@H](C[NH2+][C@H]1CCCOC1)c1nccs1 ZINC000134951995 538114163 /nfs/dbraw/zinc/11/41/63/538114163.db2.gz FMNOCQPVWHKCTK-UWVGGRQHSA-N 1 0 226.345 2.015 10 0 BEAERO COc1cc(Cl)c(C)cc1NC1=[NH+]CCN1 ZINC000165683405 538114272 /nfs/dbraw/zinc/11/42/72/538114272.db2.gz LPGKLZSBHWCATL-UHFFFAOYSA-N 1 0 239.706 2.028 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccnc1 ZINC000252661387 353303381 /nfs/dbraw/zinc/30/33/81/353303381.db2.gz JHEBYCNPQKMHEU-HIFRSBDPSA-N 1 0 245.370 2.140 10 0 BEAERO COC1(c2ncc(C[NH3+])s2)CCCC1 ZINC000128928840 353305457 /nfs/dbraw/zinc/30/54/57/353305457.db2.gz KMKGZSIJMMAHMJ-UHFFFAOYSA-N 1 0 212.318 2.018 10 0 BEAERO [NH3+]CC[C@@H](O)c1cccc2ccsc21 ZINC000130399431 353355757 /nfs/dbraw/zinc/35/57/57/353355757.db2.gz VBLNXLWDPNYGAE-SNVBAGLBSA-N 1 0 207.298 2.284 10 0 BEAERO [NH3+]CC[C@H](F)c1occc1Br ZINC000130435454 353353341 /nfs/dbraw/zinc/35/33/41/353353341.db2.gz COENDPTUDVVRIU-LURJTMIESA-N 1 0 222.057 2.402 10 0 BEAERO CCc1csc(N2CCC[C@H](C[NH2+]C)C2)n1 ZINC000061894846 353543067 /nfs/dbraw/zinc/54/30/67/353543067.db2.gz JHQKYEQDXGVMLS-SNVBAGLBSA-N 1 0 239.388 2.141 10 0 BEAERO CC(=O)CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000121110857 188430080 /nfs/dbraw/zinc/43/00/80/188430080.db2.gz XOECAFMIECCYAZ-UHFFFAOYSA-N 1 0 239.359 2.389 10 0 BEAERO CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917282 358480223 /nfs/dbraw/zinc/48/02/23/358480223.db2.gz ADRODLQIYFQNKS-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)C[C@H](C)N(C)c1cc(C(N)=[NH2+])ccn1 ZINC000042583860 188478151 /nfs/dbraw/zinc/47/81/51/188478151.db2.gz FNARWAULAJGENQ-JTQLQIEISA-N 1 0 234.347 2.236 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](C)O ZINC000035112589 188467303 /nfs/dbraw/zinc/46/73/03/188467303.db2.gz YPLFTNWYFSSQHA-FVCCEPFGSA-N 1 0 213.365 2.418 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000393830408 353678357 /nfs/dbraw/zinc/67/83/57/353678357.db2.gz JTDANAYLGXJMHT-QWHCGFSZSA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)(C)[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892090 188468144 /nfs/dbraw/zinc/46/81/44/188468144.db2.gz BQSCICIFYOBCAJ-SNVBAGLBSA-N 1 0 220.272 2.167 10 0 BEAERO Cc1ccc(SCCOCC[NH3+])cc1 ZINC000057496581 188484065 /nfs/dbraw/zinc/48/40/65/188484065.db2.gz QBNDDEPRWGKKAK-UHFFFAOYSA-N 1 0 211.330 2.062 10 0 BEAERO Fc1cccc(OCCC[NH2+]C2CC2)c1 ZINC000020525240 181003023 /nfs/dbraw/zinc/00/30/23/181003023.db2.gz SNZUVDJSLPGKAH-UHFFFAOYSA-N 1 0 209.264 2.347 10 0 BEAERO Fc1cccc2[nH]c([C@@H]3CCC[NH2+]3)nc21 ZINC000037442418 181003976 /nfs/dbraw/zinc/00/39/76/181003976.db2.gz FPADLUAARNKZCF-VIFPVBQESA-N 1 0 205.236 2.127 10 0 BEAERO Fc1cccnc1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000054700997 181017279 /nfs/dbraw/zinc/01/72/79/181017279.db2.gz ZVDIPTOJYBJTNH-SNVBAGLBSA-N 1 0 235.306 2.307 10 0 BEAERO C[C@H]1CC[C@@H](c2nc(Br)co2)C[NH2+]1 ZINC000606302906 353857831 /nfs/dbraw/zinc/85/78/31/353857831.db2.gz ANLAMOBTMNHLNL-NKWVEPMBSA-N 1 0 245.120 2.293 10 0 BEAERO Cc1cnc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000639135464 353845033 /nfs/dbraw/zinc/84/50/33/353845033.db2.gz JTNNZDYWQZIICH-NXEZZACHSA-N 1 0 238.331 2.276 10 0 BEAERO Cc1cnc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000639135465 353845173 /nfs/dbraw/zinc/84/51/73/353845173.db2.gz JTNNZDYWQZIICH-PEGIJTEDSA-N 1 0 238.331 2.276 10 0 BEAERO CC1(C)[C@H](c2cncc(Br)c2)[C@@H]1[NH3+] ZINC000301028193 363340504 /nfs/dbraw/zinc/34/05/04/363340504.db2.gz SXJGPOABXDDPKE-BDAKNGLRSA-N 1 0 241.132 2.295 10 0 BEAERO CC1(C)[C@@H]([NH3+])[C@@H]1c1cncc(Br)c1 ZINC000301028197 363340636 /nfs/dbraw/zinc/34/06/36/363340636.db2.gz SXJGPOABXDDPKE-IUCAKERBSA-N 1 0 241.132 2.295 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1ccc(Br)cn1 ZINC000301031396 363357126 /nfs/dbraw/zinc/35/71/26/363357126.db2.gz UZIRYZKAKKHZHY-DTWKUNHWSA-N 1 0 241.132 2.295 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000083894993 354436409 /nfs/dbraw/zinc/43/64/09/354436409.db2.gz NJCNXTXOQUMPGV-ZIAGYGMSSA-N 1 0 223.360 2.316 10 0 BEAERO CC(C)[C@@H](O)C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000334710907 354507804 /nfs/dbraw/zinc/50/78/04/354507804.db2.gz ZRAXIFIHQZVGKD-NEPJUHHUSA-N 1 0 211.349 2.268 10 0 BEAERO Cc1ccc(C)c(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000335136028 354785643 /nfs/dbraw/zinc/78/56/43/354785643.db2.gz VYFWWQNWZNAOAO-NWDGAFQWSA-N 1 0 247.342 2.114 10 0 BEAERO CCN(CCC(N)=[NH2+])c1nc2ccccc2s1 ZINC000042453235 169816207 /nfs/dbraw/zinc/81/62/07/169816207.db2.gz ATAIZQPGSSGFGO-UHFFFAOYSA-N 1 0 248.355 2.449 10 0 BEAERO CCC(C)(C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000335202663 355036863 /nfs/dbraw/zinc/03/68/63/355036863.db2.gz ILUWZRMVNJGAIS-NEPJUHHUSA-N 1 0 238.375 2.118 10 0 BEAERO OCC[N@H+](CC1CC1)C[C@@H]1Cc2ccccc21 ZINC000346841088 355133661 /nfs/dbraw/zinc/13/36/61/355133661.db2.gz IXCDUMYGRIMTRU-AWEZNQCLSA-N 1 0 231.339 2.031 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000040503114 358494375 /nfs/dbraw/zinc/49/43/75/358494375.db2.gz IBRXYYPIEZIMQP-LLVKDONJSA-N 1 0 244.342 2.459 10 0 BEAERO Cc1ccnc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000019844090 355275981 /nfs/dbraw/zinc/27/59/81/355275981.db2.gz WKUCQZQSSCZENP-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO NC(=[NH2+])CCN(Cc1ccccc1F)C1CC1 ZINC000042547803 181186902 /nfs/dbraw/zinc/18/69/02/181186902.db2.gz LZYQTEGSGFAEIN-UHFFFAOYSA-N 1 0 235.306 2.116 10 0 BEAERO NC(=[NH2+])Cc1ccc(OC(F)(F)F)cc1 ZINC000019470668 181188074 /nfs/dbraw/zinc/18/80/74/181188074.db2.gz CYJHYSYANYKLAO-UHFFFAOYSA-N 1 0 218.178 2.064 10 0 BEAERO NC(=[NH2+])SCc1c[nH]c2ccccc12 ZINC000255972408 181192711 /nfs/dbraw/zinc/19/27/11/181192711.db2.gz FRCFQQGXOVZSDY-UHFFFAOYSA-N 1 0 205.286 2.295 10 0 BEAERO NC(=[NH2+])SCc1cc(-c2ccccc2)no1 ZINC000075252304 181193124 /nfs/dbraw/zinc/19/31/24/181193124.db2.gz CANPRSHHDQAFDA-UHFFFAOYSA-N 1 0 233.296 2.468 10 0 BEAERO NC(=[NH2+])c1ccc(OC2CCCC2)c(F)c1 ZINC000036887994 181194958 /nfs/dbraw/zinc/19/49/58/181194958.db2.gz INTDSDLAMUHFAT-UHFFFAOYSA-N 1 0 222.263 2.431 10 0 BEAERO NC(=[NH2+])c1cccc(-c2cccc(F)c2)n1 ZINC000071186719 181195030 /nfs/dbraw/zinc/19/50/30/181195030.db2.gz FTJZZEWEXMTRCK-UHFFFAOYSA-N 1 0 215.231 2.172 10 0 BEAERO NC(=[NH2+])c1ccc(OC2CCCCC2)nc1 ZINC000019440021 181195173 /nfs/dbraw/zinc/19/51/73/181195173.db2.gz PYXITZWWWQHNTQ-UHFFFAOYSA-N 1 0 219.288 2.077 10 0 BEAERO C[C@@H]1Oc2cc(F)c(Cl)cc2[C@H]1[NH3+] ZINC000134375332 355594117 /nfs/dbraw/zinc/59/41/17/355594117.db2.gz FGGCTPMOWSXBBT-IGJIYHIXSA-N 1 0 201.628 2.260 10 0 BEAERO [NH2+]=C(Nc1ccccc1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190086868 181200471 /nfs/dbraw/zinc/20/04/71/181200471.db2.gz BYKIUHWSUIJEFJ-JHJVBQTASA-N 1 0 245.326 2.190 10 0 BEAERO [NH2+]=C1c2ccccc2CN1Cc1ccccn1 ZINC000020078823 181207559 /nfs/dbraw/zinc/20/75/59/181207559.db2.gz ZOCJJZVVJWGFTA-UHFFFAOYSA-N 1 0 223.279 2.423 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CC=CC1 ZINC000336002529 134047778 /nfs/dbraw/zinc/04/77/78/134047778.db2.gz LBNCUEKFHYQLSD-GXTWGEPZSA-N 1 0 248.370 2.038 10 0 BEAERO CS[C@@H]1CCCCN(CC[NH2+]C(C)C)C1 ZINC000191590177 355737550 /nfs/dbraw/zinc/73/75/50/355737550.db2.gz MXTJQDVITBPUMR-GFCCVEGCSA-N 1 0 230.421 2.202 10 0 BEAERO CCCCN(C(=O)C1CC[NH2+]CC1)[C@@H](C)CC ZINC000037809847 168752257 /nfs/dbraw/zinc/75/22/57/168752257.db2.gz NCEQBVQIZGYMKO-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO CCC1(C[N@@H+]2CCC[C@@](C)(O)C2)CCOCC1 ZINC000336028562 134057616 /nfs/dbraw/zinc/05/76/16/134057616.db2.gz SZHURERPZFPPJZ-CYBMUJFWSA-N 1 0 241.375 2.040 10 0 BEAERO C[C@H]1CC[C@]2(CC[N@H+](CC3(O)CCC3)C2)C1 ZINC000336034218 134058938 /nfs/dbraw/zinc/05/89/38/134058938.db2.gz HTKAJSBWXOEPRX-STQMWFEESA-N 1 0 223.360 2.414 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000399260171 355874462 /nfs/dbraw/zinc/87/44/62/355874462.db2.gz PJNKEPQGVRJQGP-KOLCDFICSA-N 1 0 235.287 2.147 10 0 BEAERO C[C@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C[NH2+]1 ZINC000399287348 355903549 /nfs/dbraw/zinc/90/35/49/355903549.db2.gz ZTYGHWJOWFGUOU-UWVGGRQHSA-N 1 0 235.287 2.147 10 0 BEAERO C[C@@H]1C[NH2+][C@H]([C@H]2CCSC2)SC1 ZINC000300209113 358499578 /nfs/dbraw/zinc/49/95/78/358499578.db2.gz FVLHYXLDYYZLQJ-VGMNWLOBSA-N 1 0 203.376 2.038 10 0 BEAERO CCCC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186197871 535295065 /nfs/dbraw/zinc/29/50/65/535295065.db2.gz DIYVQXIYUMFIAI-QWHCGFSZSA-N 1 0 241.375 2.350 10 0 BEAERO CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@H]2CCCO)C1 ZINC000639471164 356260910 /nfs/dbraw/zinc/26/09/10/356260910.db2.gz WGWHHMWIGRKYFW-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)C1CCCCC1 ZINC000037969666 181264424 /nfs/dbraw/zinc/26/44/24/181264424.db2.gz IAZTYIULYCQKLT-ZDUSSCGKSA-N 1 0 238.375 2.343 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000226403668 356484224 /nfs/dbraw/zinc/48/42/24/356484224.db2.gz HPGYJFKMBCGGBR-LPEHRKFASA-N 1 0 214.378 2.172 10 0 BEAERO C[C@H](C[NH3+])S[C@@H]1CC(C)(C)OC1(C)C ZINC000167892641 356466324 /nfs/dbraw/zinc/46/63/24/356466324.db2.gz XRVXAWWVOHYASK-RKDXNWHRSA-N 1 0 217.378 2.413 10 0 BEAERO C1CC([N@@H+]2CCC[C@@]3(CCCOC3)C2)C1 ZINC000336182314 134119682 /nfs/dbraw/zinc/11/96/82/134119682.db2.gz ZVAWFTKODBLQEY-CYBMUJFWSA-N 1 0 209.333 2.432 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2CCCC2(F)F)CCO1 ZINC000336192434 134124352 /nfs/dbraw/zinc/12/43/52/134124352.db2.gz PLDQBSRMIPNWJH-ZJUUUORDSA-N 1 0 219.275 2.143 10 0 BEAERO CCCCN(CC)C(=O)c1ccc(C[NH3+])cc1 ZINC000021951616 356548971 /nfs/dbraw/zinc/54/89/71/356548971.db2.gz WXTCSMXRCFPFHT-UHFFFAOYSA-N 1 0 234.343 2.408 10 0 BEAERO c1ccc2c(c1)C=C[C@@]1(CCC[NH2+]C1)O2 ZINC000675050654 538472732 /nfs/dbraw/zinc/47/27/32/538472732.db2.gz GKIZVAHZSDVYEW-CYBMUJFWSA-N 1 0 201.269 2.214 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN(C)C1)C(C)(C)C ZINC000380324016 538466311 /nfs/dbraw/zinc/46/63/11/538466311.db2.gz LJJMPVWVPSVXTL-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO [NH3+]C1(c2c(Cl)cccc2Cl)CC(O)C1 ZINC000675058709 538482501 /nfs/dbraw/zinc/48/25/01/538482501.db2.gz UPVUOGNZUULGEZ-UHFFFAOYSA-N 1 0 232.110 2.302 10 0 BEAERO CCN1CC[C@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000675055618 538476059 /nfs/dbraw/zinc/47/60/59/538476059.db2.gz VXVXVWJHMVNECP-QWHCGFSZSA-N 1 0 222.307 2.310 10 0 BEAERO C[C@H]1C[C@H](C)CN(CC23CCC(CC2)[NH2+]3)C1 ZINC000675056183 538477558 /nfs/dbraw/zinc/47/75/58/538477558.db2.gz LEPRMAFBNCRDIO-FEPKRQSRSA-N 1 0 222.376 2.249 10 0 BEAERO Cc1cn2c(n1)[C@H](c1ccccc1)[NH2+]CCC2 ZINC000675068704 538496823 /nfs/dbraw/zinc/49/68/23/538496823.db2.gz RUQNBBJUCBFONX-ZDUSSCGKSA-N 1 0 227.311 2.274 10 0 BEAERO C[C@H]([NH3+])[C@H]1COc2ccc(Cl)c(F)c2C1 ZINC000675063479 538490121 /nfs/dbraw/zinc/49/01/21/538490121.db2.gz FWIBTHZVCHTERR-NKWVEPMBSA-N 1 0 229.682 2.377 10 0 BEAERO COc1nc2ccc(C)cc2cc1C[NH3+] ZINC000675070388 538501357 /nfs/dbraw/zinc/50/13/57/538501357.db2.gz WNZQNIMJOILWBF-UHFFFAOYSA-N 1 0 202.257 2.011 10 0 BEAERO CCCc1ccc2c(c1)[C@@H](C[NH3+])CCO2 ZINC000675073625 538505629 /nfs/dbraw/zinc/50/56/29/538505629.db2.gz MPWHIWLLEFPVGF-LLVKDONJSA-N 1 0 205.301 2.464 10 0 BEAERO c1coc(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000053335931 356667665 /nfs/dbraw/zinc/66/76/65/356667665.db2.gz DDOIMXZSLABFOL-UHFFFAOYSA-N 1 0 206.270 2.049 10 0 BEAERO O[C@@H]1C=C(c2cscc2C(F)F)C[NH2+]C1 ZINC000675078301 538514737 /nfs/dbraw/zinc/51/47/37/538514737.db2.gz WZZIPZDNSQEJIY-SSDOTTSWSA-N 1 0 231.267 2.033 10 0 BEAERO CC(C)CC[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000220260776 538538342 /nfs/dbraw/zinc/53/83/42/538538342.db2.gz IASMAIWZLBPUKT-SNVBAGLBSA-N 1 0 207.321 2.043 10 0 BEAERO CC[C@H](C[NH3+])[C@@H](O)c1ccsc1Cl ZINC000312624879 538563007 /nfs/dbraw/zinc/56/30/07/538563007.db2.gz NQQUCIGPCOGCBN-HTRCEHHLSA-N 1 0 219.737 2.420 10 0 BEAERO Cc1nc(C)c(C(=O)C[C@H]2CCC[NH2+]2)s1 ZINC000086499632 538556259 /nfs/dbraw/zinc/55/62/59/538556259.db2.gz RJILHMGIXUXGDK-SECBINFHSA-N 1 0 224.329 2.085 10 0 BEAERO CCC(C)(C)c1nnc(C2=CC[NH2+]CC2)o1 ZINC000675082096 538523462 /nfs/dbraw/zinc/52/34/62/538523462.db2.gz CVVHCTASFQRXQL-UHFFFAOYSA-N 1 0 221.304 2.134 10 0 BEAERO CC[NH2+]C[C@@H](CCOC)c1ccccc1 ZINC000083827227 538524577 /nfs/dbraw/zinc/52/45/77/538524577.db2.gz NIQUYPZMXRSYRS-CYBMUJFWSA-N 1 0 207.317 2.416 10 0 BEAERO Cn1cnc2c1[C@@H](C1CCCCC1)[NH2+]CC2 ZINC000084011974 538525081 /nfs/dbraw/zinc/52/50/81/538525081.db2.gz NVFLSSVVILPUBE-GFCCVEGCSA-N 1 0 219.332 2.187 10 0 BEAERO CC[C@@H](C[NH3+])[C@@H](O)c1sccc1Cl ZINC000087723047 538569490 /nfs/dbraw/zinc/56/94/90/538569490.db2.gz UATHPIJMEMUKKQ-POYBYMJQSA-N 1 0 219.737 2.420 10 0 BEAERO C[C@@H]1CCC[C@H](CC(=O)c2nccs2)[NH2+]1 ZINC000130356543 538588387 /nfs/dbraw/zinc/58/83/87/538588387.db2.gz UJQYTZTWDNKORB-RKDXNWHRSA-N 1 0 224.329 2.247 10 0 BEAERO C[C@H]1CC[NH2+][C@@H](CC(=O)c2cncs2)C1 ZINC000130391457 538590133 /nfs/dbraw/zinc/59/01/33/538590133.db2.gz SQFANLPOYKDDAY-DTWKUNHWSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@@H]1CC[NH2+][C@H](CC(=O)c2cscn2)C1 ZINC000130388179 538591055 /nfs/dbraw/zinc/59/10/55/538591055.db2.gz CUTUVDHCOYEWPG-BDAKNGLRSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@@H]1CC[C@H]([N@@H+]2CCNC[C@H]2C)C[C@@H]1C ZINC000226670548 538614480 /nfs/dbraw/zinc/61/44/80/538614480.db2.gz UOBRCXKWEJISAP-XQHKEYJVSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@@H](C[NH3+])[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000168352102 356896179 /nfs/dbraw/zinc/89/61/79/356896179.db2.gz MNWNCTMNCQSNQX-QUBYGPBYSA-N 1 0 217.671 2.107 10 0 BEAERO CCc1ccc(CN2CCC[C@H]2C[NH3+])s1 ZINC000019843271 356901572 /nfs/dbraw/zinc/90/15/72/356901572.db2.gz URXIFPDMUVRWMN-JTQLQIEISA-N 1 0 224.373 2.234 10 0 BEAERO C[C@H](C(=O)C1CCCCCC1)C1C[NH2+]C1 ZINC000129850876 356986860 /nfs/dbraw/zinc/98/68/60/356986860.db2.gz ZINPLGHREYHOFJ-JTQLQIEISA-N 1 0 209.333 2.381 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000389576291 356994661 /nfs/dbraw/zinc/99/46/61/356994661.db2.gz XCAZPCZVHVQBGY-SECBINFHSA-N 1 0 228.723 2.117 10 0 BEAERO CC1(C[NH2+]C[C@@H]2CC23CCOCC3)CC1 ZINC000389741691 357023544 /nfs/dbraw/zinc/02/35/44/357023544.db2.gz WASNJNNSDQYWLB-NSHDSACASA-N 1 0 209.333 2.193 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(Br)cn1 ZINC000129928362 357049307 /nfs/dbraw/zinc/04/93/07/357049307.db2.gz GKJJDCZMJQUJAJ-XVYDVKMFSA-N 1 0 241.132 2.295 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncnc2sccc21 ZINC000389702134 357017075 /nfs/dbraw/zinc/01/70/75/357017075.db2.gz JXJZSZQRHXRDHV-SCZZXKLOSA-N 1 0 248.355 2.101 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000389716469 357018660 /nfs/dbraw/zinc/01/86/60/357018660.db2.gz OBEDAFRXRJZCMO-IWSPIJDZSA-N 1 0 225.254 2.078 10 0 BEAERO CCOP(=O)(OCC)[C@]1(C)CCC=[N+]1O ZINC000223788208 357067848 /nfs/dbraw/zinc/06/78/48/357067848.db2.gz UDBVYMDWZYWQCC-SECBINFHSA-N 1 0 236.228 2.235 10 0 BEAERO CC[N@@H+](Cc1ncccc1C(=O)OC)CC1CC1 ZINC000302461306 357068570 /nfs/dbraw/zinc/06/85/70/357068570.db2.gz YOMDNQUKYMBBNH-UHFFFAOYSA-N 1 0 248.326 2.100 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000582431920 357147483 /nfs/dbraw/zinc/14/74/83/357147483.db2.gz VGYKGTWMBVFHTQ-XVIXHAIJSA-N 1 0 241.375 2.083 10 0 BEAERO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C)o1 ZINC000131210886 325125863 /nfs/dbraw/zinc/12/58/63/325125863.db2.gz CUEMXDNHLUYIPG-NSHDSACASA-N 1 0 222.332 2.026 10 0 BEAERO CC(C)C(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C)C(C)C ZINC000392904903 357262998 /nfs/dbraw/zinc/26/29/98/357262998.db2.gz VXCPBHGJUFGPME-DGCLKSJQSA-N 1 0 240.391 2.171 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCCC23CCC3)C1 ZINC000394736819 357371550 /nfs/dbraw/zinc/37/15/50/357371550.db2.gz JVSYOAHXUYXCPG-MCIGGMRASA-N 1 0 209.333 2.070 10 0 BEAERO O[C@H](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000393947016 357321069 /nfs/dbraw/zinc/32/10/69/357321069.db2.gz SBOGQPPDCFLAAE-SGIHWFKDSA-N 1 0 237.265 2.078 10 0 BEAERO CC(C)[C@@]1(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000397173917 357508346 /nfs/dbraw/zinc/50/83/46/357508346.db2.gz AELZLPORTPJEFN-FVCCEPFGSA-N 1 0 211.349 2.314 10 0 BEAERO CC(C)[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000397173914 357508452 /nfs/dbraw/zinc/50/84/52/357508452.db2.gz AELZLPORTPJEFN-FDYHWXHSSA-N 1 0 211.349 2.314 10 0 BEAERO CC/C=C\CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000588477418 538852498 /nfs/dbraw/zinc/85/24/98/538852498.db2.gz IDLWABNPMMAYDN-ZFDPJTLLSA-N 1 0 224.348 2.073 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@H]2C)cnn1C ZINC000230665004 357546909 /nfs/dbraw/zinc/54/69/09/357546909.db2.gz XXUWQQQLBKUQPX-PWSUYJOCSA-N 1 0 221.348 2.254 10 0 BEAERO CC(C)(C)CCCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188524577 357558340 /nfs/dbraw/zinc/55/83/40/357558340.db2.gz KFVGYLGNBIKNSA-WDEREUQCSA-N 1 0 244.354 2.019 10 0 BEAERO O=C(C[C@@H]1CCCCC[NH2+]1)c1cncs1 ZINC000229143484 538881337 /nfs/dbraw/zinc/88/13/37/538881337.db2.gz LKLWXMCZKHUMBX-VIFPVBQESA-N 1 0 224.329 2.248 10 0 BEAERO CC[NH2+]CC[C@H](N)c1ccccc1OCC ZINC000685946681 538887132 /nfs/dbraw/zinc/88/71/32/538887132.db2.gz DOMMBBIZWWUGGM-LBPRGKRZSA-N 1 0 222.332 2.085 10 0 BEAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1cc(C)cc(C)c1 ZINC000685945921 538887682 /nfs/dbraw/zinc/88/76/82/538887682.db2.gz GECQDGFIQMNVFW-UONOGXRCSA-N 1 0 218.344 2.098 10 0 BEAERO CCC[C@@H](C)C(=O)N[C@]1(CC)CCC[NH2+]C1 ZINC000685947382 538889266 /nfs/dbraw/zinc/88/92/66/538889266.db2.gz MOLOUDPQESGDPL-DGCLKSJQSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@H]1CC[C@@](NC(=O)OC(C)(C)C)(C(N)=[NH2+])C1 ZINC000685947958 538889551 /nfs/dbraw/zinc/88/95/51/538889551.db2.gz UPQNWCLDDUMWNY-UFBFGSQYSA-N 1 0 241.335 2.006 10 0 BEAERO c1cc2c(cc1C1CCC1)OCC[NH2+]C2 ZINC000685948256 538890414 /nfs/dbraw/zinc/89/04/14/538890414.db2.gz DOEOVPAIGLXWKN-UHFFFAOYSA-N 1 0 203.285 2.436 10 0 BEAERO [NH3+]CC[C@@H]1C[C@@H]1Cc1ccc(F)c(F)c1 ZINC000685948297 538890504 /nfs/dbraw/zinc/89/05/04/538890504.db2.gz GFPZGMWAXCDIAZ-ZJUUUORDSA-N 1 0 211.255 2.492 10 0 BEAERO CC[C@@]1([NH3+])CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC000685948090 538890603 /nfs/dbraw/zinc/89/06/03/538890603.db2.gz XENFRVJUZZSWTQ-WCQYABFASA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)(C)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189970078 357678793 /nfs/dbraw/zinc/67/87/93/357678793.db2.gz BADONDNYWWGPQI-UHFFFAOYSA-N 1 0 236.363 2.036 10 0 BEAERO [NH3+][C@H]1C[C@@]12CC=C(c1cccnc1)CC2 ZINC000685950634 538893833 /nfs/dbraw/zinc/89/38/33/538893833.db2.gz VDOBYMQAMCVSKD-STQMWFEESA-N 1 0 200.285 2.366 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)CC1CCCC1 ZINC000190596500 357712131 /nfs/dbraw/zinc/71/21/31/357712131.db2.gz LJBNTCRSOSAWHN-YRGRVCCFSA-N 1 0 241.375 2.037 10 0 BEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C1CCCC1 ZINC000191189493 357740386 /nfs/dbraw/zinc/74/03/86/357740386.db2.gz AFTXRHGFGDMMJV-RTXFEEFZSA-N 1 0 237.343 2.203 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000191109419 357750587 /nfs/dbraw/zinc/75/05/87/357750587.db2.gz VIDHNBNOXQQZPE-GFCCVEGCSA-N 1 0 249.333 2.355 10 0 BEAERO Cc1c[nH+]ccc1N1CCC(c2cc[nH]n2)CC1 ZINC000191980108 357818984 /nfs/dbraw/zinc/81/89/84/357818984.db2.gz MHJRDNCNJKYOAV-UHFFFAOYSA-N 1 0 242.326 2.497 10 0 BEAERO C[C@H](O)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000192983579 357863175 /nfs/dbraw/zinc/86/31/75/357863175.db2.gz WBLLSCMULGBWFS-JTQLQIEISA-N 1 0 223.341 2.218 10 0 BEAERO C[C@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000399265787 357900488 /nfs/dbraw/zinc/90/04/88/357900488.db2.gz NXAGGSXLYSWSIN-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248998236 535371300 /nfs/dbraw/zinc/37/13/00/535371300.db2.gz GZZUIBMNGGCAAQ-YNEHKIRRSA-N 1 0 209.333 2.500 10 0 BEAERO C[C@H]([NH2+]C[C@]1(O)CCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000321491414 259473831 /nfs/dbraw/zinc/47/38/31/259473831.db2.gz KKJCFKVELWVUIF-QNWJLWSRSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)(C)c1nc2ccccc2n1CC[NH3+] ZINC000020223150 357939175 /nfs/dbraw/zinc/93/91/75/357939175.db2.gz YRXDXAHJUFQBNK-UHFFFAOYSA-N 1 0 217.316 2.293 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1ncccc1OC ZINC000160296104 357970825 /nfs/dbraw/zinc/97/08/25/357970825.db2.gz LCPBSWFLGSZGMJ-SNVBAGLBSA-N 1 0 223.320 2.020 10 0 BEAERO Clc1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000035598848 358002486 /nfs/dbraw/zinc/00/24/86/358002486.db2.gz OLSZZTKKBGZPOK-LLVKDONJSA-N 1 0 211.692 2.391 10 0 BEAERO CN(CCC[NH3+])c1nc2ccccc2s1 ZINC000037673618 358091829 /nfs/dbraw/zinc/09/18/29/358091829.db2.gz YBPWLSOUGXIZRP-UHFFFAOYSA-N 1 0 221.329 2.081 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000037807171 358086653 /nfs/dbraw/zinc/08/66/53/358086653.db2.gz RJIDIYXASWHFPH-UWVGGRQHSA-N 1 0 214.353 2.007 10 0 BEAERO Cc1ccc(F)c(C(=O)[C@H](C)C[NH3+])c1F ZINC000169046104 358093724 /nfs/dbraw/zinc/09/37/24/358093724.db2.gz CJTUFMXBXFQHIC-SSDOTTSWSA-N 1 0 213.227 2.051 10 0 BEAERO C[NH2+][C@H](Cc1ccc(C)cc1)[C@H]1CCCO1 ZINC000038136128 358116567 /nfs/dbraw/zinc/11/65/67/358116567.db2.gz VJTLOERYAWCJKX-ZIAGYGMSSA-N 1 0 219.328 2.305 10 0 BEAERO C[NH2+][C@H](Cc1ccccc1C)[C@H]1CCCO1 ZINC000038135878 358116918 /nfs/dbraw/zinc/11/69/18/358116918.db2.gz XEFOYNPICVGFOR-ZIAGYGMSSA-N 1 0 219.328 2.305 10 0 BEAERO CCCn1ccc(C[NH2+]CC[C@@H](O)CC)c1 ZINC000218760828 134259989 /nfs/dbraw/zinc/25/99/89/134259989.db2.gz XSRJFWLOUJYROY-ZDUSSCGKSA-N 1 0 224.348 2.149 10 0 BEAERO CCCn1ccc(C[NH2+]CC[C@H](O)CC)c1 ZINC000218760871 134260118 /nfs/dbraw/zinc/26/01/18/134260118.db2.gz XSRJFWLOUJYROY-CYBMUJFWSA-N 1 0 224.348 2.149 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000172190626 134262629 /nfs/dbraw/zinc/26/26/29/134262629.db2.gz OQRFBFMYMCXWQZ-UHFFFAOYSA-N 1 0 226.440 2.034 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H]2CCOc3cccc1c32 ZINC000039018529 358216890 /nfs/dbraw/zinc/21/68/90/358216890.db2.gz YVEAYKIGLDSQMI-UWVGGRQHSA-N 1 0 203.285 2.389 10 0 BEAERO CCCCCOC(=O)[C@@H](N)Cc1ccccc1 ZINC000040954211 358248594 /nfs/dbraw/zinc/24/85/94/358248594.db2.gz VOOOGYQBISWQHH-ZDUSSCGKSA-N 1 0 235.327 2.290 10 0 BEAERO CN(C(=O)C[C@H]1C=CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746685 358246016 /nfs/dbraw/zinc/24/60/16/358246016.db2.gz FDLDYQHMDPLHFC-ICIURTGMSA-N 1 0 248.370 2.084 10 0 BEAERO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000225218332 358247277 /nfs/dbraw/zinc/24/72/77/358247277.db2.gz PEGGHKISSAEDES-CHWSQXEVSA-N 1 0 229.364 2.085 10 0 BEAERO [NH3+]CCN1CC[C@@H](C(F)F)c2ccccc21 ZINC000584612733 358276409 /nfs/dbraw/zinc/27/64/09/358276409.db2.gz CTVLKESOSNMKEQ-SNVBAGLBSA-N 1 0 226.270 2.204 10 0 BEAERO Cc1ccc(C)c2c1OC[C@H](C[NH+](C)C)O2 ZINC000584614977 358279594 /nfs/dbraw/zinc/27/95/94/358279594.db2.gz CMHLFKSYXMHTLB-NSHDSACASA-N 1 0 221.300 2.005 10 0 BEAERO COC(=O)[C@@H](CCC[NH+](C)C)Cc1ccccc1 ZINC000584596694 358253641 /nfs/dbraw/zinc/25/36/41/358253641.db2.gz GSGNUUWPOLHGFW-AWEZNQCLSA-N 1 0 249.354 2.360 10 0 BEAERO COc1ccc2c(c1)[C@@H](CC[NH3+])CCC2 ZINC000041214117 358255098 /nfs/dbraw/zinc/25/50/98/358255098.db2.gz RBKWQTGEQWUZCE-LLVKDONJSA-N 1 0 205.301 2.464 10 0 BEAERO CO[C@@H]1O[C@H](C2([NH3+])CCCCC2)[C@H]2C=CC=C[C@@H]12 ZINC000584600665 358257609 /nfs/dbraw/zinc/25/76/09/358257609.db2.gz SVJLGVKANKFEGS-RFQIPJPRSA-N 1 0 249.354 2.378 10 0 BEAERO CC[NH+](CC)CCNN[C@@H](C)Cc1ccccc1 ZINC000584601598 358258608 /nfs/dbraw/zinc/25/86/08/358258608.db2.gz BYNHWBJKZGUEPZ-AWEZNQCLSA-N 1 0 249.402 2.054 10 0 BEAERO CO[C@@H]1CC[C@@H](O)[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000584601498 358258744 /nfs/dbraw/zinc/25/87/44/358258744.db2.gz UECYQGJGBBYHMA-RBSFLKMASA-N 1 0 249.354 2.047 10 0 BEAERO COc1ccc2c(c1)[C@@]1(C)C[C@@H](C2)C[N@H+](C)C1 ZINC000584615772 358280449 /nfs/dbraw/zinc/28/04/49/358280449.db2.gz DOJBXJAAEOYSIP-ABAIWWIYSA-N 1 0 231.339 2.461 10 0 BEAERO [NH2+]=C(Cc1ccccc1O)[C@@H]1CCCO1 ZINC000584608097 358268463 /nfs/dbraw/zinc/26/84/63/358268463.db2.gz NZEYIYHITYXUHL-LBPRGKRZSA-N 1 0 205.257 2.133 10 0 BEAERO COc1ccc2[nH]c(C)c(CC[NH3+])c2c1F ZINC000584618957 358285572 /nfs/dbraw/zinc/28/55/72/358285572.db2.gz DILGSOWPIGAXLT-UHFFFAOYSA-N 1 0 222.263 2.125 10 0 BEAERO COc1ccnc2[nH]cc(C3CC[NH2+]CC3)c21 ZINC000584620147 358286925 /nfs/dbraw/zinc/28/69/25/358286925.db2.gz MNAKPYFHUQLUHF-UHFFFAOYSA-N 1 0 231.299 2.039 10 0 BEAERO C[C@H]([C@@H](O)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000584621044 358288030 /nfs/dbraw/zinc/28/80/30/358288030.db2.gz JYRDZJGDEGIFLW-ZWNOBZJWSA-N 1 0 223.291 2.343 10 0 BEAERO C[C@@H]1c2ccccc2C(C)(C)CN1C(=[NH2+])NO ZINC000584621872 358289460 /nfs/dbraw/zinc/28/94/60/358289460.db2.gz QWBOMVIWJACJHC-SECBINFHSA-N 1 0 233.315 2.254 10 0 BEAERO COCC[NH2+][C@H](Cc1ccccc1)[C@@H]1CCCO1 ZINC000584625590 358294767 /nfs/dbraw/zinc/29/47/67/358294767.db2.gz SPMMAOBZCOERFP-CABCVRRESA-N 1 0 249.354 2.013 10 0 BEAERO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)Cc1ccccc1 ZINC000584650810 358305458 /nfs/dbraw/zinc/30/54/58/358305458.db2.gz YXUHUEJBLNZKJC-STQMWFEESA-N 1 0 249.354 2.359 10 0 BEAERO NC(=O)c1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC000037739781 181296289 /nfs/dbraw/zinc/29/62/89/181296289.db2.gz ONSXSNSZAGXZPJ-UHFFFAOYSA-N 1 0 246.354 2.455 10 0 BEAERO [NH3+][C@H]1CCCc2cc3c(cc2[C@H]1O)CCCC3 ZINC000584617365 358282027 /nfs/dbraw/zinc/28/20/27/358282027.db2.gz SBCCKONVBXAHAG-LSDHHAIUSA-N 1 0 231.339 2.262 10 0 BEAERO CC[C@@]1(O)C[N@H+](C)CC[C@@H]1c1ccccc1 ZINC000584633511 358317096 /nfs/dbraw/zinc/31/70/96/358317096.db2.gz ORUSCBHIBCGXDB-ZIAGYGMSSA-N 1 0 219.328 2.247 10 0 BEAERO CC[C@@]1(O)C[N@H+](C)CC[C@H]1c1ccccc1 ZINC000584633510 358317141 /nfs/dbraw/zinc/31/71/41/358317141.db2.gz ORUSCBHIBCGXDB-UONOGXRCSA-N 1 0 219.328 2.247 10 0 BEAERO O[C@@]1(c2ccccc2)C[NH2+][C@@H]2CCCC[C@H]2C1 ZINC000584635255 358319253 /nfs/dbraw/zinc/31/92/53/358319253.db2.gz QJRSMSKUQSQEGF-NWANDNLSSA-N 1 0 231.339 2.426 10 0 BEAERO O[C@@]1(c2ccccc2)C[NH2+][C@H]2CCCC[C@@H]2C1 ZINC000584635256 358319686 /nfs/dbraw/zinc/31/96/86/358319686.db2.gz QJRSMSKUQSQEGF-VHDGCEQUSA-N 1 0 231.339 2.426 10 0 BEAERO Cc1c2nccn2nc(-c2ccccc2)c1C[NH3+] ZINC000584641136 358327159 /nfs/dbraw/zinc/32/71/59/358327159.db2.gz JCGQHWHOVQYVRC-UHFFFAOYSA-N 1 0 238.294 2.163 10 0 BEAERO CN(C(=O)C1(C)CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226455846 358339960 /nfs/dbraw/zinc/33/99/60/358339960.db2.gz OGIAFIRLZIZRIJ-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO CN(C(=O)C1(C)CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000226455852 358340000 /nfs/dbraw/zinc/34/00/00/358340000.db2.gz OGIAFIRLZIZRIJ-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000230416841 358399569 /nfs/dbraw/zinc/39/95/69/358399569.db2.gz WCLCKNKWHYJDBJ-HZSPNIEDSA-N 1 0 243.391 2.190 10 0 BEAERO C[C@H]1C[C@H](c2ccc(Br)cn2)C[NH2+]1 ZINC000130126280 358425874 /nfs/dbraw/zinc/42/58/74/358425874.db2.gz CSKJENOPJINLTI-YUMQZZPRSA-N 1 0 241.132 2.310 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc(C)cn1 ZINC000127257784 358561332 /nfs/dbraw/zinc/56/13/32/358561332.db2.gz CCWYQQQFJCUFHB-OLZOCXBDSA-N 1 0 221.348 2.360 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@@H](C)CC2CC2)c1 ZINC000130785033 358643817 /nfs/dbraw/zinc/64/38/17/358643817.db2.gz LIUSCTZGCBABGG-VIFPVBQESA-N 1 0 237.299 2.344 10 0 BEAERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)C1CC1 ZINC000130663459 358638665 /nfs/dbraw/zinc/63/86/65/358638665.db2.gz FZSCZHWAJIUTMJ-UBHSHLNASA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000047550173 358593494 /nfs/dbraw/zinc/59/34/94/358593494.db2.gz KVWFKMYIQBHYNX-ZIAGYGMSSA-N 1 0 241.375 2.302 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CCC1)c1cncs1 ZINC000130996287 358656328 /nfs/dbraw/zinc/65/63/28/358656328.db2.gz QTKFNGGTMXLHLZ-SNVBAGLBSA-N 1 0 240.372 2.346 10 0 BEAERO CC[C@H]([NH2+]C[C@H](C)O)c1cccc(OC)c1 ZINC000131142343 358662804 /nfs/dbraw/zinc/66/28/04/358662804.db2.gz NHBVLOOCQXJOHC-GWCFXTLKSA-N 1 0 223.316 2.117 10 0 BEAERO CCCn1cc(C[N@@H+]2CCS[C@H](C)C2)cn1 ZINC000131366456 358671995 /nfs/dbraw/zinc/67/19/95/358671995.db2.gz LTBXMBSCFQCZSC-LLVKDONJSA-N 1 0 239.388 2.230 10 0 BEAERO CCCC[C@@H](COC)[NH2+][C@H]1CCCN(CC)C1 ZINC000133045668 358744421 /nfs/dbraw/zinc/74/44/21/358744421.db2.gz FLQZQMOMWWMZQC-KBPBESRZSA-N 1 0 242.407 2.266 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C1(C)C ZINC000223440789 491136351 /nfs/dbraw/zinc/13/63/51/491136351.db2.gz DFSRWLCJXYDVOD-FVCCEPFGSA-N 1 0 241.375 2.083 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCCN(CC)C2)o1 ZINC000051724674 358760558 /nfs/dbraw/zinc/76/05/58/358760558.db2.gz JUENAXYMLIVDPO-GFCCVEGCSA-N 1 0 236.359 2.416 10 0 BEAERO CC(C)c1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050394108 358726589 /nfs/dbraw/zinc/72/65/89/358726589.db2.gz LPWIOKRIUSGAET-CQSZACIVSA-N 1 0 246.354 2.178 10 0 BEAERO Cc1noc(C2CCC([NH2+]C(C)C)CC2)n1 ZINC000132902873 358739346 /nfs/dbraw/zinc/73/93/46/358739346.db2.gz RGRMSAMWXYUVBZ-UHFFFAOYSA-N 1 0 223.320 2.402 10 0 BEAERO COc1c(C[NH2+]C[C@@H](C)C(C)C)c(C)nn1C ZINC000134913818 358811266 /nfs/dbraw/zinc/81/12/66/358811266.db2.gz FDCUEQMBVGKPKU-SNVBAGLBSA-N 1 0 239.363 2.119 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134597518 358797623 /nfs/dbraw/zinc/79/76/23/358797623.db2.gz YFCYUBHVFUSVPT-WNYYMSAVSA-N 1 0 227.348 2.100 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1)C(N)=O ZINC000264898318 358840351 /nfs/dbraw/zinc/84/03/51/358840351.db2.gz VJHUEUHKSNKKMP-WCQYABFASA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)C(N)=O ZINC000264898317 358841069 /nfs/dbraw/zinc/84/10/69/358841069.db2.gz VJHUEUHKSNKKMP-DGCLKSJQSA-N 1 0 234.343 2.218 10 0 BEAERO CC[C@@H]1CCCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000058874247 358915338 /nfs/dbraw/zinc/91/53/38/358915338.db2.gz LEGMVYVNDLAMMH-LLVKDONJSA-N 1 0 226.364 2.166 10 0 BEAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CCCSC2)SC1 ZINC000306150603 358873006 /nfs/dbraw/zinc/87/30/06/358873006.db2.gz DHEMKTQGVNWGFL-BBBLOLIVSA-N 1 0 217.403 2.428 10 0 BEAERO CCNC(=O)CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000055927384 358892785 /nfs/dbraw/zinc/89/27/85/358892785.db2.gz GULSGVKALGYWHN-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@H](O)[C@H](C)S[C@H]1CCC(C)(C)[C@@H]1[NH3+] ZINC000300336485 358962492 /nfs/dbraw/zinc/96/24/92/358962492.db2.gz ASPSHBHTDNCRIS-AATLWQCWSA-N 1 0 217.378 2.005 10 0 BEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CC1)CC2 ZINC000177312476 134299622 /nfs/dbraw/zinc/29/96/22/134299622.db2.gz YKRSYYPONLQIGP-ZYHUDNBSSA-N 1 0 248.374 2.104 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CCCCC1 ZINC000177311100 134299646 /nfs/dbraw/zinc/29/96/46/134299646.db2.gz ZAFBGVKMONASGN-WCQYABFASA-N 1 0 248.374 2.151 10 0 BEAERO CC[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C(C)C ZINC000070143865 359042814 /nfs/dbraw/zinc/04/28/14/359042814.db2.gz RZZDBLWWNYQYKC-LBPRGKRZSA-N 1 0 238.379 2.010 10 0 BEAERO C[C@@H]1CSC(N[C@@H]2CCC(F)(F)C2)=[NH+]1 ZINC000306172338 358981909 /nfs/dbraw/zinc/98/19/09/358981909.db2.gz LFFGDIONWPEWJI-RNFRBKRXSA-N 1 0 220.288 2.255 10 0 BEAERO C[C@@H]1C[C@@H]1NC1=[NH+][C@H]2CCC[C@@H]2CS1 ZINC000300402775 358989914 /nfs/dbraw/zinc/98/99/14/358989914.db2.gz QYCBJCWDGADGTA-IMSYWVGJSA-N 1 0 210.346 2.256 10 0 BEAERO [NH3+][C@H](c1ccsn1)[C@@H]1CCCCS1 ZINC000306184750 359002344 /nfs/dbraw/zinc/00/23/44/359002344.db2.gz FBOIDNVUBFRSKC-DTWKUNHWSA-N 1 0 214.359 2.429 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000246470299 359109610 /nfs/dbraw/zinc/10/96/10/359109610.db2.gz ZRIAZPDUBXZUCJ-VNHYZAJKSA-N 1 0 247.386 2.461 10 0 BEAERO COCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000074352206 359116518 /nfs/dbraw/zinc/11/65/18/359116518.db2.gz ZWJDXYGWDNBOHP-QWHCGFSZSA-N 1 0 227.348 2.056 10 0 BEAERO COCCOCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000246989667 359181751 /nfs/dbraw/zinc/18/17/51/359181751.db2.gz KEKHMIKTZIJABD-DZGCQCFKSA-N 1 0 249.354 2.342 10 0 BEAERO COCCC[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000247041299 359190021 /nfs/dbraw/zinc/19/00/21/359190021.db2.gz LUCBQZHJZQQRRA-GLQYFDAESA-N 1 0 249.354 2.049 10 0 BEAERO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000074996711 359137674 /nfs/dbraw/zinc/13/76/74/359137674.db2.gz AQQJCZNSCGIZEC-OLZOCXBDSA-N 1 0 208.349 2.121 10 0 BEAERO CCC(CC)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246819434 359167311 /nfs/dbraw/zinc/16/73/11/359167311.db2.gz CKVPKYGIIPPLEB-YPMHNXCESA-N 1 0 238.375 2.118 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000247699328 359242499 /nfs/dbraw/zinc/24/24/99/359242499.db2.gz XKDGKNCRQYLFIJ-GHMZBOCLSA-N 1 0 236.363 2.227 10 0 BEAERO CCSCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248175536 359257522 /nfs/dbraw/zinc/25/75/22/359257522.db2.gz VNQPGWWANGTAQI-QWHCGFSZSA-N 1 0 243.416 2.367 10 0 BEAERO O[C@@H](c1cc(Cl)sc1Cl)C1C[NH2+]C1 ZINC000306214201 359315219 /nfs/dbraw/zinc/31/52/19/359315219.db2.gz WVZXTIOPWBFNPU-SSDOTTSWSA-N 1 0 238.139 2.308 10 0 BEAERO C[C@@H]([NH3+])[C@@](C)(F)c1cc(F)ccc1F ZINC000306214617 359316993 /nfs/dbraw/zinc/31/69/93/359316993.db2.gz ZLHINMDBGWNWOQ-LHLIQPBNSA-N 1 0 203.207 2.497 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1cc(F)cc(Br)c1 ZINC000306213817 359317208 /nfs/dbraw/zinc/31/72/08/359317208.db2.gz XWEICBDMQSPFSJ-BDAKNGLRSA-N 1 0 230.080 2.403 10 0 BEAERO C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000380584158 359372428 /nfs/dbraw/zinc/37/24/28/359372428.db2.gz ZAMNTUIRYVOUAU-NEPJUHHUSA-N 1 0 238.375 2.023 10 0 BEAERO [NH2+]=C1N[C@@H](c2cc(Cl)sc2Cl)CO1 ZINC000306215281 359323962 /nfs/dbraw/zinc/32/39/62/359323962.db2.gz INMZCYRFZFUYRO-SCSAIBSYSA-N 1 0 237.111 2.441 10 0 BEAERO Cc1cc(C[C@@]2([NH3+])CCCOC2)cs1 ZINC000306218675 359337135 /nfs/dbraw/zinc/33/71/35/359337135.db2.gz FXTXUQMMTGMEBG-NSHDSACASA-N 1 0 211.330 2.107 10 0 BEAERO Cc1cc(CO[C@H]2CCC[C@@H]2[NH3+])cs1 ZINC000306221895 359343374 /nfs/dbraw/zinc/34/33/74/359343374.db2.gz JVNANLXFFAOQNV-QWRGUYRKSA-N 1 0 211.330 2.453 10 0 BEAERO C[C@@H]1C[NH+]=C(NCCC(C)(F)F)S1 ZINC000306221644 359343458 /nfs/dbraw/zinc/34/34/58/359343458.db2.gz QDNPDQJTIUWKSJ-ZCFIWIBFSA-N 1 0 208.277 2.113 10 0 BEAERO COC1([C@@H]2[NH2+]CCCS2)CCCCC1 ZINC000306240228 359410524 /nfs/dbraw/zinc/41/05/24/359410524.db2.gz KHSXQCMFFMBUKF-SNVBAGLBSA-N 1 0 215.362 2.388 10 0 BEAERO [NH3+][C@@H](c1cn[nH]c1)c1ccsc1Cl ZINC000306270076 359493518 /nfs/dbraw/zinc/49/35/18/359493518.db2.gz NRDGRAMDPDYGPJ-ZETCQYMHSA-N 1 0 213.693 2.173 10 0 BEAERO CO[C@](C)(C[NH3+])c1c(F)cccc1Cl ZINC000306262781 359483159 /nfs/dbraw/zinc/48/31/59/359483159.db2.gz XUHLJASBGDMWTO-SNVBAGLBSA-N 1 0 217.671 2.299 10 0 BEAERO CS[C@H]1CCCC[C@@H]1[NH2+]C1CSC1 ZINC000306312859 359594377 /nfs/dbraw/zinc/59/43/77/359594377.db2.gz OFDRPYNKLLMDDE-UWVGGRQHSA-N 1 0 217.403 2.366 10 0 BEAERO Cc1ccc(N[C@@H](C)CCCCO)cn1 ZINC000309005411 491142146 /nfs/dbraw/zinc/14/21/46/491142146.db2.gz PQHQPZUGBCGRAQ-NSHDSACASA-N 1 0 208.305 2.353 10 0 BEAERO Cc1nc(C2([NH3+])CCC2)ccc1Br ZINC000306349072 359669461 /nfs/dbraw/zinc/66/94/61/359669461.db2.gz KSQOMLQVRJLQCR-UHFFFAOYSA-N 1 0 241.132 2.490 10 0 BEAERO C[NH2+]C(C)(C)C(=O)c1cc(C)cc(F)c1 ZINC000169183469 359699806 /nfs/dbraw/zinc/69/98/06/359699806.db2.gz AWBKXIKSOHFUFL-UHFFFAOYSA-N 1 0 209.264 2.315 10 0 BEAERO CCNc1ccc(C(N)=[NH2+])cc1Br ZINC000169206777 359776406 /nfs/dbraw/zinc/77/64/06/359776406.db2.gz UDGCHOKLDWOPSW-UHFFFAOYSA-N 1 0 242.120 2.165 10 0 BEAERO CC[C@@H]1C[NH+]=C(NCc2cscn2)S1 ZINC000230007505 359806949 /nfs/dbraw/zinc/80/69/49/359806949.db2.gz SESNANHCXREXOP-MRVPVSSYSA-N 1 0 227.358 2.114 10 0 BEAERO C[C@@H]1C[C@@H]1NC1=[NH+][C@@H]2CCC[C@@H]2CS1 ZINC000231339311 359815021 /nfs/dbraw/zinc/81/50/21/359815021.db2.gz QYCBJCWDGADGTA-KYXWUPHJSA-N 1 0 210.346 2.256 10 0 BEAERO Cc1sc2ncnc(N[C@H](C)C[NH3+])c2c1C ZINC000082576493 325543604 /nfs/dbraw/zinc/54/36/04/325543604.db2.gz KYRMCWWJZIMFQM-ZCFIWIBFSA-N 1 0 236.344 2.067 10 0 BEAERO O=C1CCC[C@@H]1[NH+]1CCC(C(F)F)CC1 ZINC000306432186 359928651 /nfs/dbraw/zinc/92/86/51/359928651.db2.gz XXOXFRSRXJPOSZ-VIFPVBQESA-N 1 0 217.259 2.085 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1csc(Br)c1 ZINC000306433177 359940276 /nfs/dbraw/zinc/94/02/76/359940276.db2.gz WANVCRUGJAWXAD-PHDIDXHHSA-N 1 0 218.119 2.325 10 0 BEAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC000088504311 359963648 /nfs/dbraw/zinc/96/36/48/359963648.db2.gz UEUBQGXMGAKJPB-QWHCGFSZSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1ccc(C)c(C[NH+]2CC(O)(C3CC3)C2)c1 ZINC000089679867 360033708 /nfs/dbraw/zinc/03/37/08/360033708.db2.gz ATXRPILDGDYIKR-UHFFFAOYSA-N 1 0 231.339 2.260 10 0 BEAERO [NH3+][C@@H](Cc1csc(Cl)c1)[C@H]1CCOC1 ZINC000306471153 360094905 /nfs/dbraw/zinc/09/49/05/360094905.db2.gz RKFBRZROUZXRJB-IUCAKERBSA-N 1 0 231.748 2.308 10 0 BEAERO CO[C@@H](C[NH3+])c1cscc1Br ZINC000306459532 360056873 /nfs/dbraw/zinc/05/68/73/360056873.db2.gz GXTLSSDRKLXVRD-ZETCQYMHSA-N 1 0 236.134 2.157 10 0 BEAERO CC(C)n1cncc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000090207725 360064473 /nfs/dbraw/zinc/06/44/73/360064473.db2.gz DIGGXQZONJBPNI-AAEUAGOBSA-N 1 0 237.347 2.121 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C(C)(C)C ZINC000090224336 360066801 /nfs/dbraw/zinc/06/68/01/360066801.db2.gz BCWFWXOBROBEFR-GXSJLCMTSA-N 1 0 236.363 2.446 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C(C)C ZINC000090227539 360067256 /nfs/dbraw/zinc/06/72/56/360067256.db2.gz UQEDXUHMBMSQKG-MWLCHTKSSA-N 1 0 222.336 2.056 10 0 BEAERO CC[C@@H]1CCC[C@H](C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000169284707 360070232 /nfs/dbraw/zinc/07/02/32/360070232.db2.gz IKTDLBOEDBIVOA-GRYCIOLGSA-N 1 0 209.333 2.381 10 0 BEAERO C[C@@H]1C[N@H+](C)C[C@H]1Nc1ncc(Cl)s1 ZINC000306466079 360079564 /nfs/dbraw/zinc/07/95/64/360079564.db2.gz KHFPBAMUVZSYIL-RNFRBKRXSA-N 1 0 231.752 2.159 10 0 BEAERO C[C@@H]1C[C@@H](C)O[C@@](C)(C(F)(F)F)C[NH2+]1 ZINC000306469136 360084138 /nfs/dbraw/zinc/08/41/38/360084138.db2.gz OWCAKYPGMBGYDK-BWZBUEFSSA-N 1 0 211.227 2.094 10 0 BEAERO CC[C@@H](COC)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000090773304 360086727 /nfs/dbraw/zinc/08/67/27/360086727.db2.gz LBOUUJXFLKKWCY-UONOGXRCSA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)(C)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091856051 360131860 /nfs/dbraw/zinc/13/18/60/360131860.db2.gz ANYGYUCWVHVEFC-WDEREUQCSA-N 1 0 229.389 2.239 10 0 BEAERO CCC[C@@H](C(=O)Nc1ccc(C)nc1)[NH+](C)C ZINC000092765579 360196034 /nfs/dbraw/zinc/19/60/34/360196034.db2.gz IXQHTEAKLWKYTA-LBPRGKRZSA-N 1 0 235.331 2.059 10 0 BEAERO COc1ccc([C@H]2CC[NH2+]2)c(Br)c1 ZINC000306490214 360198987 /nfs/dbraw/zinc/19/89/87/360198987.db2.gz YIWCYEBVJTZMFA-SNVBAGLBSA-N 1 0 242.116 2.492 10 0 BEAERO [NH3+]CC[S@](=O)c1ccc(Cl)cc1Cl ZINC000306482621 360157354 /nfs/dbraw/zinc/15/73/54/360157354.db2.gz DUHVSBJKRSGNFO-ZDUSSCGKSA-N 1 0 238.139 2.060 10 0 BEAERO C[C@@H]1C[C@@H](C)N(C(=[NH2+])NCc2ccccc2)C1 ZINC000306501024 360296224 /nfs/dbraw/zinc/29/62/24/360296224.db2.gz ZKYNOAVNIJKLMI-VXGBXAGGSA-N 1 0 231.343 2.441 10 0 BEAERO [NH2+]=C(N[C@H]1CCSC1)c1ccccc1 ZINC000231416742 360272829 /nfs/dbraw/zinc/27/28/29/360272829.db2.gz FMOGLWCYDOCOOI-JTQLQIEISA-N 1 0 206.314 2.107 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H](C)CCC[NH3+] ZINC000094948062 360328523 /nfs/dbraw/zinc/32/85/23/360328523.db2.gz MDUBDSMSJQXJMU-JTQLQIEISA-N 1 0 244.342 2.478 10 0 BEAERO [NH3+]CCNc1cccc(Cl)c1Br ZINC000306526241 360366459 /nfs/dbraw/zinc/36/64/59/360366459.db2.gz TZQNVANTJVNYBQ-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO CNc1cc(N[C@H]2CCSC2)cc[nH+]1 ZINC000231446691 360385472 /nfs/dbraw/zinc/38/54/72/360385472.db2.gz MZZVGZPCYNAWRJ-VIFPVBQESA-N 1 0 209.318 2.041 10 0 BEAERO O[C@@H](c1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000306531651 360389762 /nfs/dbraw/zinc/38/97/62/360389762.db2.gz FWTZHFIIZGCTLN-SNVBAGLBSA-N 1 0 232.110 2.246 10 0 BEAERO CCN1C[C@H]([NH2+]Cc2ccoc2C)[C@@H](C)C1 ZINC000309460668 491148645 /nfs/dbraw/zinc/14/86/45/491148645.db2.gz NVDUCKIMHIWKSY-GWCFXTLKSA-N 1 0 222.332 2.018 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccoc2C)C1 ZINC000309460670 491148649 /nfs/dbraw/zinc/14/86/49/491148649.db2.gz NVDUCKIMHIWKSY-GXFFZTMASA-N 1 0 222.332 2.018 10 0 BEAERO C[C@H]1C[C@@H]1c1nc(C(F)F)c(C[NH3+])o1 ZINC000306566048 360446177 /nfs/dbraw/zinc/44/61/77/360446177.db2.gz FUWIALVXIWKNGV-WHFBIAKZSA-N 1 0 202.204 2.194 10 0 BEAERO COC1([C@@H]2[NH2+]C[C@H](C)S2)CCCCC1 ZINC000306536963 360403250 /nfs/dbraw/zinc/40/32/50/360403250.db2.gz KYGOBGDORRYVBI-VHSXEESVSA-N 1 0 215.362 2.387 10 0 BEAERO [NH3+]CCNc1cc(Br)ccc1Cl ZINC000306541586 360410170 /nfs/dbraw/zinc/41/01/70/360410170.db2.gz SZHOSBVDTSJIMT-UHFFFAOYSA-N 1 0 249.539 2.473 10 0 BEAERO CC(C)NC1=[NH+]C[C@@H](C(C)C)CS1 ZINC000306546657 360417705 /nfs/dbraw/zinc/41/77/05/360417705.db2.gz BRPRYVXQLNGZNV-SECBINFHSA-N 1 0 200.351 2.359 10 0 BEAERO C[C@@H]1CC[N@H+](Cc2ccnc(Cl)n2)[C@@H]1C ZINC000306558717 360432984 /nfs/dbraw/zinc/43/29/84/360432984.db2.gz PPHMVVVDNYLLFZ-RKDXNWHRSA-N 1 0 225.723 2.360 10 0 BEAERO C[C@H]1CC[N@H+](Cc2ccnc(Cl)n2)[C@H]1C ZINC000306558716 360433435 /nfs/dbraw/zinc/43/34/35/360433435.db2.gz PPHMVVVDNYLLFZ-IUCAKERBSA-N 1 0 225.723 2.360 10 0 BEAERO [NH3+][C@H]1CC[C@H]1c1cc(F)c(F)c(F)c1 ZINC000306559612 360433969 /nfs/dbraw/zinc/43/39/69/360433969.db2.gz QRZCVEKSIAXVKW-RCOVLWMOSA-N 1 0 201.191 2.309 10 0 BEAERO CCn1cc[nH+]c1N[C@@H]1CSC[C@@H]1C ZINC000306582244 360481117 /nfs/dbraw/zinc/48/11/17/360481117.db2.gz PAQOJZBHWIGBSW-DTWKUNHWSA-N 1 0 211.334 2.066 10 0 BEAERO [NH3+][C@@H](C[C@@H]1CCOC1)c1sccc1F ZINC000306586399 360484854 /nfs/dbraw/zinc/48/48/54/360484854.db2.gz RIFZWSMFKXXUSQ-CBAPKCEASA-N 1 0 215.293 2.314 10 0 BEAERO C[C@H]1C[C@H](NC(=[NH2+])C(C)(C)C)CS1 ZINC000306588009 360491990 /nfs/dbraw/zinc/49/19/90/360491990.db2.gz SSJMKTJHRNEJAG-YUMQZZPRSA-N 1 0 200.351 2.493 10 0 BEAERO [NH3+][C@@H]1CCC[C@](F)(c2ccns2)C1 ZINC000306589362 360494690 /nfs/dbraw/zinc/49/46/90/360494690.db2.gz UGQAKBYXBIBTPW-VXNVDRBHSA-N 1 0 200.282 2.209 10 0 BEAERO C[C@H](NC(N)=[NH2+])c1c(F)cccc1Cl ZINC000306575801 360465295 /nfs/dbraw/zinc/46/52/95/360465295.db2.gz JVUNPTYSINTSLW-YFKPBYRVSA-N 1 0 215.659 2.023 10 0 BEAERO CC[C@]1(C)C[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306576596 360466535 /nfs/dbraw/zinc/46/65/35/360466535.db2.gz KNCGTKTWHVAJGY-TZMCWYRMSA-N 1 0 231.343 2.489 10 0 BEAERO [NH3+][C@H](c1cccs1)c1cccnc1F ZINC000306594438 360512511 /nfs/dbraw/zinc/51/25/11/360512511.db2.gz XJOBEHIINHDRLW-VIFPVBQESA-N 1 0 208.261 2.330 10 0 BEAERO CC(C)N1CC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069800120 360558527 /nfs/dbraw/zinc/55/85/27/360558527.db2.gz HGMGTWFYVBZVMA-MNOVXSKESA-N 1 0 210.346 2.231 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000309549242 491151125 /nfs/dbraw/zinc/15/11/25/491151125.db2.gz HPPNCCRSBDAXGO-LSJOCFKGSA-N 1 0 240.372 2.406 10 0 BEAERO NC(=S)C1CC[NH+](CCc2ccccc2)CC1 ZINC000032104132 181314929 /nfs/dbraw/zinc/31/49/29/181314929.db2.gz AOPRJCWNRXEQIX-UHFFFAOYSA-N 1 0 248.395 2.227 10 0 BEAERO NC(=S)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000031945358 181316026 /nfs/dbraw/zinc/31/60/26/181316026.db2.gz HELSUABRXFMKGC-UHFFFAOYSA-N 1 0 248.395 2.227 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)c(F)c1 ZINC000631104930 360948285 /nfs/dbraw/zinc/94/82/85/360948285.db2.gz QBCIVOKJXDDPOR-ZWNOBZJWSA-N 1 0 223.291 2.401 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])c2cc(Cl)ccc2[S@@]1=O ZINC000040973641 360983269 /nfs/dbraw/zinc/98/32/69/360983269.db2.gz LWTSPODBKHITGB-PHUZMZJCSA-N 1 0 229.732 2.240 10 0 BEAERO Cc1cc(Br)cc2c1C[NH2+]C2 ZINC000238463384 361086686 /nfs/dbraw/zinc/08/66/86/361086686.db2.gz CUSSFHBEIGYUIX-UHFFFAOYSA-N 1 0 212.090 2.361 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1cc(Cl)cnc1N ZINC000069943639 361177874 /nfs/dbraw/zinc/17/78/74/361177874.db2.gz PHVAJJONPAGZFQ-IMTBSYHQSA-N 1 0 213.712 2.363 10 0 BEAERO CC[C@H]([NH3+])C(=O)c1c(F)cccc1Cl ZINC000306620754 361232602 /nfs/dbraw/zinc/23/26/02/361232602.db2.gz XUTYHMFMLKJSNH-QMMMGPOBSA-N 1 0 215.655 2.399 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2CCF)[nH]n1 ZINC000309846671 491157047 /nfs/dbraw/zinc/15/70/47/491157047.db2.gz GVJVWNCTOPDELO-PWSUYJOCSA-N 1 0 225.311 2.336 10 0 BEAERO [NH3+]C1(c2c(F)cc(F)cc2F)CCC1 ZINC000075934038 181332313 /nfs/dbraw/zinc/33/23/13/181332313.db2.gz LVBHDDOSLROGGZ-UHFFFAOYSA-N 1 0 201.191 2.442 10 0 BEAERO [NH3+]C1(c2cccc([C@H]3CCCO3)c2)CC1 ZINC000095938198 181335540 /nfs/dbraw/zinc/33/55/40/181335540.db2.gz XCGJZCKAXPYEPJ-GFCCVEGCSA-N 1 0 203.285 2.486 10 0 BEAERO CCC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)OCC ZINC000629600796 361490888 /nfs/dbraw/zinc/49/08/88/361490888.db2.gz QXVLNRPQKSSDFC-NWDGAFQWSA-N 1 0 231.380 2.188 10 0 BEAERO CC1CCC(CCN2CCC(=O)C2)CC1 ZINC000070532654 361532697 /nfs/dbraw/zinc/53/26/97/361532697.db2.gz BSDSKLDJVHCKTN-UHFFFAOYSA-N 1 0 209.333 2.478 10 0 BEAERO CCC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000310003508 491158979 /nfs/dbraw/zinc/15/89/79/491158979.db2.gz FPSCYWLDOOGMGI-MDZLAQPJSA-N 1 0 226.364 2.022 10 0 BEAERO Cc1nc(C)c([C@@H]2[NH2+]C[C@@H](C)S2)s1 ZINC000306637894 361585527 /nfs/dbraw/zinc/58/55/27/361585527.db2.gz MQRGHSJUQWQQRV-MLUIRONXSA-N 1 0 214.359 2.483 10 0 BEAERO CC(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000153667668 201245858 /nfs/dbraw/zinc/24/58/58/201245858.db2.gz UPDGLHHSXCTRPC-QWHCGFSZSA-N 1 0 238.375 2.023 10 0 BEAERO Clc1ccc(S[C@H]2CC[NH2+]C2)nc1 ZINC000070615576 361631604 /nfs/dbraw/zinc/63/16/04/361631604.db2.gz LZNWFAOIJMUMQQ-QMMMGPOBSA-N 1 0 214.721 2.189 10 0 BEAERO Clc1ccc(SC[C@@H]2CC[NH2+]C2)nc1 ZINC000070615577 361631680 /nfs/dbraw/zinc/63/16/80/361631680.db2.gz BJJZLNPYYJGIJC-MRVPVSSYSA-N 1 0 228.748 2.437 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000310036237 491159839 /nfs/dbraw/zinc/15/98/39/491159839.db2.gz UIRZVRJOFBQUOL-WCFLWFBJSA-N 1 0 226.364 2.022 10 0 BEAERO [NH3+]C1CCC(n2cc(Br)cn2)CC1 ZINC000055144732 181342239 /nfs/dbraw/zinc/34/22/39/181342239.db2.gz ILBAFRKMTWKWIN-UHFFFAOYSA-N 1 0 244.136 2.088 10 0 BEAERO [NH3+]C1CCC(SC2CCOCC2)CC1 ZINC000062053707 181342677 /nfs/dbraw/zinc/34/26/77/181342677.db2.gz TXXNIWQBPLYZCX-UHFFFAOYSA-N 1 0 215.362 2.169 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cncn1C ZINC000310024719 491160335 /nfs/dbraw/zinc/16/03/35/491160335.db2.gz OROITIILJBFXCK-WCQYABFASA-N 1 0 221.348 2.479 10 0 BEAERO CCn1nc(C)cc1-c1ccc(CC[NH3+])cc1 ZINC000629743233 361679919 /nfs/dbraw/zinc/67/99/19/361679919.db2.gz GFLRLONXLDLOTR-UHFFFAOYSA-N 1 0 229.327 2.380 10 0 BEAERO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH3+])s1 ZINC000070627342 361680993 /nfs/dbraw/zinc/68/09/93/361680993.db2.gz FXOLENPHVMMRHK-MWLCHTKSSA-N 1 0 211.330 2.483 10 0 BEAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCc1ccco1 ZINC000054602483 181344666 /nfs/dbraw/zinc/34/46/66/181344666.db2.gz QGFUMFSUOKAXIG-YHWZYXNKSA-N 1 0 234.343 2.166 10 0 BEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(F)c(F)c1 ZINC000054603282 181344983 /nfs/dbraw/zinc/34/49/83/181344983.db2.gz KTXQWNYLMOHMNR-PBINXNQUSA-N 1 0 238.281 2.423 10 0 BEAERO CO[C@H]1C[N@H+](CC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630362199 364081946 /nfs/dbraw/zinc/08/19/46/364081946.db2.gz OILDAAOGDVYHMR-ZIAGYGMSSA-N 1 0 240.391 2.005 10 0 BEAERO [NH3+]C1([C@@H]2CCCO2)CCC(F)(F)CC1 ZINC000725254974 541331990 /nfs/dbraw/zinc/33/19/90/541331990.db2.gz MBHRAEXZTXYGCT-QMMMGPOBSA-N 1 0 205.248 2.072 10 0 BEAERO CCc1cnc(CC[NH2+][C@H](CC)COC)s1 ZINC000130366578 364090987 /nfs/dbraw/zinc/09/09/87/364090987.db2.gz HBSDBCWKJKBOKV-SNVBAGLBSA-N 1 0 242.388 2.263 10 0 BEAERO [NH3+]CC/C=C/c1ccc2c(c1)OCCCO2 ZINC000041232565 181356965 /nfs/dbraw/zinc/35/69/65/181356965.db2.gz OYDXRTCVVMJNIS-DAFODLJHSA-N 1 0 219.284 2.210 10 0 BEAERO CCC[C@H](C)C(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264597 541337413 /nfs/dbraw/zinc/33/74/13/541337413.db2.gz XQANPNOAEVXKPY-SCRDCRAPSA-N 1 0 238.375 2.214 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000725264352 541337420 /nfs/dbraw/zinc/33/74/20/541337420.db2.gz IJJZVXMAGYITHS-SGMGOOAPSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@@H](C(=O)NC[C@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000725268992 541338661 /nfs/dbraw/zinc/33/86/61/541338661.db2.gz AYVUMRHHUXGHGB-NWDGAFQWSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)c1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)ncn1 ZINC000630532777 364221816 /nfs/dbraw/zinc/22/18/16/364221816.db2.gz KSYCONKBNXJKQC-MNOVXSKESA-N 1 0 234.347 2.152 10 0 BEAERO CCc1csc(N[C@@H]2CC[NH2+][C@H]2CC)n1 ZINC000630525621 364212629 /nfs/dbraw/zinc/21/26/29/364212629.db2.gz JNLKTFRZWQOXSK-VHSXEESVSA-N 1 0 225.361 2.258 10 0 BEAERO Cc1nc(N[C@@H]2CC[C@H](C)[NH2+]C2)sc1C ZINC000630533001 364222958 /nfs/dbraw/zinc/22/29/58/364222958.db2.gz MNHRRRPGQAUXAD-OIBJUYFYSA-N 1 0 225.361 2.312 10 0 BEAERO Cc1nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)sc1C ZINC000630533000 364223457 /nfs/dbraw/zinc/22/34/57/364223457.db2.gz MNHRRRPGQAUXAD-GMSGAONNSA-N 1 0 225.361 2.312 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000630545765 364241279 /nfs/dbraw/zinc/24/12/79/364241279.db2.gz PKLCEESHNHBOSD-IONNQARKSA-N 1 0 245.248 2.263 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1C(F)(F)F ZINC000630545628 364241795 /nfs/dbraw/zinc/24/17/95/364241795.db2.gz LXTXQQYJTKJUTH-IONNQARKSA-N 1 0 245.248 2.263 10 0 BEAERO Cc1nc(N2CCCCC[C@H]([NH3+])C2)sc1C ZINC000630549325 364242336 /nfs/dbraw/zinc/24/23/36/364242336.db2.gz MUVCMLAUPWIHBZ-NSHDSACASA-N 1 0 239.388 2.468 10 0 BEAERO [NH3+]CC1(Cc2nc(=S)o[n-]2)CCCCC1 ZINC000029041568 181360916 /nfs/dbraw/zinc/36/09/16/181360916.db2.gz NISSXCGKGSMLOH-UHFFFAOYSA-N 1 0 227.333 2.184 10 0 BEAERO [NH3+][C@H]1CCCCCN(c2ccncc2Cl)C1 ZINC000630550764 364244173 /nfs/dbraw/zinc/24/41/73/364244173.db2.gz ULLQJJOWOBLRJL-JTQLQIEISA-N 1 0 239.750 2.443 10 0 BEAERO C[C@H]1CC[C@H](Nc2ccc3ccccc3n2)C[NH2+]1 ZINC000630534771 364228168 /nfs/dbraw/zinc/22/81/68/364228168.db2.gz PJEIWUVYOIBQOE-AAEUAGOBSA-N 1 0 241.338 2.209 10 0 BEAERO CCc1cc(CC)nc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630534325 364228612 /nfs/dbraw/zinc/22/86/12/364228612.db2.gz WFCPEPQNIYESCA-GWCFXTLKSA-N 1 0 248.374 2.154 10 0 BEAERO [NH3+]CC1(O)CCC(c2cccs2)CC1 ZINC000071518303 181361558 /nfs/dbraw/zinc/36/15/58/181361558.db2.gz PNXGJKAKBZSBBR-UHFFFAOYSA-N 1 0 211.330 2.096 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037626354 364354863 /nfs/dbraw/zinc/35/48/63/364354863.db2.gz PFULUPDYPWASDA-HIFPTAJRSA-N 1 0 240.391 2.445 10 0 BEAERO CO[C@@H](C)[C@H](C)[NH2+]CCCCSC ZINC000133924676 364379632 /nfs/dbraw/zinc/37/96/32/364379632.db2.gz RFLCJVDDFISOII-UWVGGRQHSA-N 1 0 205.367 2.143 10 0 BEAERO Cc1cnc(C(C)(C)[NH2+][C@@H]2CCOC2)s1 ZINC000134276745 364397088 /nfs/dbraw/zinc/39/70/88/364397088.db2.gz RUWTZENVAHGURM-SECBINFHSA-N 1 0 226.345 2.065 10 0 BEAERO C[C@H]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000037655116 364436246 /nfs/dbraw/zinc/43/62/46/364436246.db2.gz NGHNMWJZHQMPQT-YWPUVAFDSA-N 1 0 238.375 2.199 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000134806674 364413938 /nfs/dbraw/zinc/41/39/38/364413938.db2.gz ILTYQPYPBNKSQL-QJPTWQEYSA-N 1 0 229.389 2.023 10 0 BEAERO C[C@H]1Oc2c(ccc(Cl)c2F)[C@@H]1[NH3+] ZINC000130685232 364417946 /nfs/dbraw/zinc/41/79/46/364417946.db2.gz HLKMBBLZLVGROU-SPGJFGJESA-N 1 0 201.628 2.260 10 0 BEAERO Fc1cccc2c1CCC1(CC[NH2+]CC1)O2 ZINC000066054845 364489340 /nfs/dbraw/zinc/48/93/40/364489340.db2.gz SLDSHYGXFXXFPW-UHFFFAOYSA-N 1 0 221.275 2.273 10 0 BEAERO COC(=O)C[C@@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000037742817 364573915 /nfs/dbraw/zinc/57/39/15/364573915.db2.gz UQFMSNLYKARJDH-GFCCVEGCSA-N 1 0 237.299 2.037 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000248134582 364627255 /nfs/dbraw/zinc/62/72/55/364627255.db2.gz OXCQTOTZNYODIU-LEWSCRJBSA-N 1 0 219.328 2.279 10 0 BEAERO [NH3+]CCC(=O)c1ccc2c(c1)CCCC2 ZINC000036157489 181370333 /nfs/dbraw/zinc/37/03/33/181370333.db2.gz NXIRSAHJHLTGII-UHFFFAOYSA-N 1 0 203.285 2.097 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)CCc2ccco2)C1 ZINC000328205507 364817890 /nfs/dbraw/zinc/81/78/90/364817890.db2.gz TXNPRKVWLQSSHG-OLZOCXBDSA-N 1 0 236.359 2.285 10 0 BEAERO [NH3+]CCCCCC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819524 181374018 /nfs/dbraw/zinc/37/40/18/181374018.db2.gz CAMPKFINLCDSEE-ZDUSSCGKSA-N 1 0 249.358 2.197 10 0 BEAERO [NH3+]CCCCCOc1ccc(F)c(F)c1 ZINC000041228119 181375147 /nfs/dbraw/zinc/37/51/47/181375147.db2.gz VCHRBUXEGHQRJA-UHFFFAOYSA-N 1 0 215.243 2.473 10 0 BEAERO [NH3+]CCCCNC(=O)c1cccc2ccccc21 ZINC000037714531 181377250 /nfs/dbraw/zinc/37/72/50/181377250.db2.gz ICHOPGADZSMMNK-UHFFFAOYSA-N 1 0 242.322 2.309 10 0 BEAERO CC1=NN(C)C(=O)C1c1ccc(C[NH+](C)C)cc1 ZINC000675053011 541430774 /nfs/dbraw/zinc/43/07/74/541430774.db2.gz DFWJDGFHGCXYKU-UHFFFAOYSA-N 1 0 245.326 2.163 10 0 BEAERO [NH3+]CCCCOc1ccc2cccnc2c1 ZINC000082788092 181378171 /nfs/dbraw/zinc/37/81/71/181378171.db2.gz RVXPYGPHMAAXPN-UHFFFAOYSA-N 1 0 216.284 2.353 10 0 BEAERO C[C@@H]1CC[C@H]([N@@H+]2CCNC[C@H]2C)C[C@H]1C ZINC000250910268 541441287 /nfs/dbraw/zinc/44/12/87/541441287.db2.gz UOBRCXKWEJISAP-LPWJVIDDSA-N 1 0 210.365 2.105 10 0 BEAERO FC(F)(F)C1(C(F)(F)F)CC[NH2+]CC1 ZINC000005134218 541451401 /nfs/dbraw/zinc/45/14/01/541451401.db2.gz IMJJCNBFFHZZEE-UHFFFAOYSA-N 1 0 221.144 2.481 10 0 BEAERO [NH3+]CCCNc1nc2ccccc2s1 ZINC000019519064 181383435 /nfs/dbraw/zinc/38/34/35/181383435.db2.gz RLBMCYSWQPBPIE-UHFFFAOYSA-N 1 0 207.302 2.057 10 0 BEAERO [NH3+]CCCOc1cccc(Br)c1 ZINC000019503280 181384631 /nfs/dbraw/zinc/38/46/31/181384631.db2.gz AZKJWKAILPTIOS-UHFFFAOYSA-N 1 0 230.105 2.177 10 0 BEAERO [NH3+]CCCOc1nsc2ccccc21 ZINC000038647024 181384926 /nfs/dbraw/zinc/38/49/26/181384926.db2.gz KZXQYJVAEAGIEO-UHFFFAOYSA-N 1 0 208.286 2.024 10 0 BEAERO [NH3+]CCC[C@H](Nc1cnccn1)c1ccccc1 ZINC000311149492 181385767 /nfs/dbraw/zinc/38/57/67/181385767.db2.gz MTSIVEPDKHSOTF-ZDUSSCGKSA-N 1 0 242.326 2.369 10 0 BEAERO [NH3+]CCC[C@H](O)c1ccc(Br)cc1 ZINC000019674888 181385779 /nfs/dbraw/zinc/38/57/79/181385779.db2.gz NDQZKYCCZBGHHG-JTQLQIEISA-N 1 0 244.132 2.221 10 0 BEAERO [NH3+]CCC[C@H](Nc1ncccn1)c1ccccc1 ZINC000336792279 181385822 /nfs/dbraw/zinc/38/58/22/181385822.db2.gz RGKXJBOMKDAVKP-ZDUSSCGKSA-N 1 0 242.326 2.369 10 0 BEAERO [NH3+]CCCc1ncc(-c2ccccc2)o1 ZINC000011587025 181386752 /nfs/dbraw/zinc/38/67/52/181386752.db2.gz DQLFZSFEZANTOU-UHFFFAOYSA-N 1 0 202.257 2.233 10 0 BEAERO [NH3+]CCCc1n[nH]c2cccc(Cl)c21 ZINC000107449152 181387198 /nfs/dbraw/zinc/38/71/98/181387198.db2.gz PVUFIJIFBQOCHT-UHFFFAOYSA-N 1 0 209.680 2.108 10 0 BEAERO [NH3+]CCCc1noc(-c2cccc(Cl)c2)n1 ZINC000019682260 181388739 /nfs/dbraw/zinc/38/87/39/181388739.db2.gz SKMQNQWEIHLKRJ-UHFFFAOYSA-N 1 0 237.690 2.281 10 0 BEAERO [NH3+]CCN(C(=O)c1ccoc1)C1CCCCC1 ZINC000104315140 181390049 /nfs/dbraw/zinc/39/00/49/181390049.db2.gz XORGAQCUVOOTNL-UHFFFAOYSA-N 1 0 236.315 2.013 10 0 BEAERO [NH3+]CCN(c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000104324392 181390398 /nfs/dbraw/zinc/39/03/98/181390398.db2.gz XDJHXDPDBPJHCR-UHFFFAOYSA-N 1 0 245.248 2.028 10 0 BEAERO [NH3+]CCN(Cc1ccco1)Cc1ccccc1F ZINC000032103573 181390551 /nfs/dbraw/zinc/39/05/51/181390551.db2.gz GPRGGKHKMYSXLB-UHFFFAOYSA-N 1 0 248.301 2.380 10 0 BEAERO [NH3+]CCN(Cc1cccs1)C1CCCC1 ZINC000032014872 181390944 /nfs/dbraw/zinc/39/09/44/181390944.db2.gz NIPLWVMEMVYYAX-UHFFFAOYSA-N 1 0 224.373 2.451 10 0 BEAERO NCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000037712819 181396102 /nfs/dbraw/zinc/39/61/02/181396102.db2.gz FMPKFSPXOXKBPR-UHFFFAOYSA-N 1 0 224.735 2.134 10 0 BEAERO [NH3+]CCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000037712623 181397717 /nfs/dbraw/zinc/39/77/17/181397717.db2.gz VPQOIXJRQVRNBD-UHFFFAOYSA-N 1 0 234.274 2.134 10 0 BEAERO [NH3+]CCOCc1ccc(F)c(Br)c1 ZINC000051864716 181399380 /nfs/dbraw/zinc/39/93/80/181399380.db2.gz COIMFIRRXUNEBX-UHFFFAOYSA-N 1 0 248.095 2.064 10 0 BEAERO [NH3+]CCOCCc1ccc(C(F)(F)F)cc1 ZINC000057953752 181399451 /nfs/dbraw/zinc/39/94/51/181399451.db2.gz YCSRBGMRYKHXKW-UHFFFAOYSA-N 1 0 233.233 2.223 10 0 BEAERO [NH3+]CC[C@H](O)CCOc1ccc2c(c1)CCCC2 ZINC000041304447 181408221 /nfs/dbraw/zinc/40/82/21/181408221.db2.gz AYUQUQPQWZUOOO-AWEZNQCLSA-N 1 0 249.354 2.044 10 0 BEAERO [NH3+]CCc1cc(Cl)cc2c1OCCC2 ZINC000062570500 181411741 /nfs/dbraw/zinc/41/17/41/181411741.db2.gz TWAGYZPKVBYHPN-UHFFFAOYSA-N 1 0 211.692 2.166 10 0 BEAERO [NH3+]CCc1ccc(O[C@H]2CCOC2)c(Cl)c1 ZINC000069624478 181412205 /nfs/dbraw/zinc/41/22/05/181412205.db2.gz GWCCCFLLJYJZOT-JTQLQIEISA-N 1 0 241.718 2.009 10 0 BEAERO [NH3+]CCc1ccc(OCc2nccs2)cc1 ZINC000019779310 181412421 /nfs/dbraw/zinc/41/24/21/181412421.db2.gz XASBCRCVIONEMO-UHFFFAOYSA-N 1 0 234.324 2.223 10 0 BEAERO [NH3+]CCc1csc(Cc2ccc(F)cc2)n1 ZINC000041269750 181413241 /nfs/dbraw/zinc/41/32/41/181413241.db2.gz DTCRORTWABKWKQ-UHFFFAOYSA-N 1 0 236.315 2.374 10 0 BEAERO [NH3+]C[C@@H](O)c1cccc(-c2ccccc2)c1 ZINC000028226760 181422995 /nfs/dbraw/zinc/42/29/95/181422995.db2.gz VDMYUTFXPIQXBN-CQSZACIVSA-N 1 0 213.280 2.346 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(CC(C)C)C1CCCC1 ZINC000087286604 365399517 /nfs/dbraw/zinc/39/95/17/365399517.db2.gz SPIOSHIUWIGATQ-LLVKDONJSA-N 1 0 226.364 2.022 10 0 BEAERO CC[C@H](C)c1nnc([C@@H]([NH3+])C(C)(C)C)[nH]1 ZINC000675060685 541463863 /nfs/dbraw/zinc/46/38/63/541463863.db2.gz LURSKXHDOOSSRV-JGVFFNPUSA-N 1 0 210.325 2.364 10 0 BEAERO COc1ccccc1[C@]12C[C@H](CC1)[C@H]2[NH3+] ZINC000675080374 541468291 /nfs/dbraw/zinc/46/82/91/541468291.db2.gz CQQVPWLDLRSQDX-ZWKOPEQDSA-N 1 0 203.285 2.074 10 0 BEAERO Nc1[nH+]ccn1Cc1ccc(F)c(Cl)c1 ZINC000088042584 541468944 /nfs/dbraw/zinc/46/89/44/541468944.db2.gz VQFPTUHZAZLLCM-UHFFFAOYSA-N 1 0 225.654 2.306 10 0 BEAERO CC(C)(C)c1cccc2cc(C[NH3+])c(=O)[nH]c21 ZINC000011980173 541481576 /nfs/dbraw/zinc/48/15/76/541481576.db2.gz KKOOVFHUWFBACN-UHFFFAOYSA-N 1 0 230.311 2.284 10 0 BEAERO CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCC[C@H](C)C2 ZINC000685952992 541497619 /nfs/dbraw/zinc/49/76/19/541497619.db2.gz FEPOCPGCTCWGOI-RWMBFGLXSA-N 1 0 210.365 2.378 10 0 BEAERO CCc1cn2c([nH+]1)NCC[C@H]2C(F)(F)F ZINC000234177941 541512340 /nfs/dbraw/zinc/51/23/40/541512340.db2.gz IUYWQFDSOFAZFN-ZETCQYMHSA-N 1 0 219.210 2.365 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C(C)C)n1C ZINC000183054717 366971131 /nfs/dbraw/zinc/97/11/31/366971131.db2.gz OUPKIYNUZZPZLC-WDEREUQCSA-N 1 0 238.379 2.463 10 0 BEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000380589990 367248163 /nfs/dbraw/zinc/24/81/63/367248163.db2.gz TWYRQCVSXRFTSK-QWRGUYRKSA-N 1 0 248.326 2.099 10 0 BEAERO COC(=O)c1cccnc1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000380589991 367248712 /nfs/dbraw/zinc/24/87/12/367248712.db2.gz TWYRQCVSXRFTSK-WDEREUQCSA-N 1 0 248.326 2.099 10 0 BEAERO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000381363033 367388071 /nfs/dbraw/zinc/38/80/71/367388071.db2.gz DLWXAHGYWLUPQN-AVGNSLFASA-N 1 0 231.355 2.369 10 0 BEAERO Cc1nc2ccccc2nc1N[C@H](C)[C@H](C)[NH3+] ZINC000381410017 367396347 /nfs/dbraw/zinc/39/63/47/367396347.db2.gz XOMTWAGMFHMYBX-DTWKUNHWSA-N 1 0 230.315 2.086 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000381520526 367424530 /nfs/dbraw/zinc/42/45/30/367424530.db2.gz MOIZHMCIBNBOCA-GMTAPVOTSA-N 1 0 233.302 2.315 10 0 BEAERO CC[N@@H+](Cc1nnc(C(C)C)n1C)CC(C)C ZINC000195430843 367360490 /nfs/dbraw/zinc/36/04/90/367360490.db2.gz SRFWWLSWLRYXEC-UHFFFAOYSA-N 1 0 238.379 2.416 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000382098578 367485469 /nfs/dbraw/zinc/48/54/69/367485469.db2.gz AZQBVTRWFWDFIZ-UTUOFQBUSA-N 1 0 209.333 2.476 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000382472252 367529100 /nfs/dbraw/zinc/52/91/00/367529100.db2.gz QOOFAECSCCAOQW-GHMZBOCLSA-N 1 0 242.326 2.169 10 0 BEAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000382333972 367508968 /nfs/dbraw/zinc/50/89/68/367508968.db2.gz XJYJFFMEOKMNDS-FVCCEPFGSA-N 1 0 211.349 2.173 10 0 BEAERO CCc1cc(CC)nc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382433791 367523479 /nfs/dbraw/zinc/52/34/79/367523479.db2.gz SZQHHXMMYRAWPR-ZWNOBZJWSA-N 1 0 248.374 2.141 10 0 BEAERO [NH3+]C[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1 ZINC000019475878 181434383 /nfs/dbraw/zinc/43/43/83/181434383.db2.gz DABFCMYEXALJRM-VIFPVBQESA-N 1 0 244.260 2.490 10 0 BEAERO CCNC(=[NH2+])[C@H]1SCCS[C@H]1CC ZINC000252719090 367827767 /nfs/dbraw/zinc/82/77/67/367827767.db2.gz GWSLYTKDHVQHPC-YUMQZZPRSA-N 1 0 218.391 2.200 10 0 BEAERO COc1cc(C[NH2+][C@H](C)C(C)C)sn1 ZINC000399186784 367893736 /nfs/dbraw/zinc/89/37/36/367893736.db2.gz VTZQZXACACXAPU-MRVPVSSYSA-N 1 0 214.334 2.286 10 0 BEAERO CC(C)NC(=[NH2+])[C@H]1SCCS[C@H]1C ZINC000252722447 367894211 /nfs/dbraw/zinc/89/42/11/367894211.db2.gz QOGUZDWVPDCVDZ-YUMQZZPRSA-N 1 0 218.391 2.199 10 0 BEAERO Cc1cnc(N[C@@H](C[NH3+])C2CCCC2)nc1C ZINC000386615594 368001177 /nfs/dbraw/zinc/00/11/77/368001177.db2.gz CLPYHHAUWAKVSZ-LBPRGKRZSA-N 1 0 234.347 2.023 10 0 BEAERO CC(C)(C)[C@H]1CC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000252856788 368163133 /nfs/dbraw/zinc/16/31/33/368163133.db2.gz KZFOJQGXYGCYLM-QWRGUYRKSA-N 1 0 209.333 2.476 10 0 BEAERO CCC1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037822575 368147033 /nfs/dbraw/zinc/14/70/33/368147033.db2.gz GQJGFMJPXJCSOT-UHFFFAOYSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1cccc(F)c1 ZINC000054929451 368305813 /nfs/dbraw/zinc/30/58/13/368305813.db2.gz OVEBQMUXDGQYTR-NWDGAFQWSA-N 1 0 211.280 2.233 10 0 BEAERO COc1ccc2c(c1)C(=O)[C@H](CC[NH+](C)C)C2 ZINC000038284449 368325380 /nfs/dbraw/zinc/32/53/80/368325380.db2.gz YHOHLOQNEIDDKG-LLVKDONJSA-N 1 0 233.311 2.002 10 0 BEAERO [NH3+]C1(c2ccccc2)CCC2(CC1)OCCO2 ZINC000039615858 368330318 /nfs/dbraw/zinc/33/03/18/368330318.db2.gz YXSNZILHODIHBW-UHFFFAOYSA-N 1 0 233.311 2.158 10 0 BEAERO [NH3+]Cc1ccc(COc2ccccn2)cc1 ZINC000059680389 368333658 /nfs/dbraw/zinc/33/36/58/368333658.db2.gz MPJGXYUKJCIQMG-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000115271183 368343429 /nfs/dbraw/zinc/34/34/29/368343429.db2.gz HENUDNYKZHNMCC-JGPRNRPPSA-N 1 0 240.347 2.136 10 0 BEAERO [NH3+]CC1(CC2CC2)CCC2(CC1)OCCO2 ZINC000142249845 368346805 /nfs/dbraw/zinc/34/68/05/368346805.db2.gz FSGHSJSRLZUDIY-UHFFFAOYSA-N 1 0 225.332 2.049 10 0 BEAERO COC(=O)c1cc(F)cc(C2CC[NH2+]CC2)c1 ZINC000143614290 368349615 /nfs/dbraw/zinc/34/96/15/368349615.db2.gz GYIGLLZLYBPUAX-UHFFFAOYSA-N 1 0 237.274 2.079 10 0 BEAERO C[C@@](C[NH3+])(NCc1ccccc1)C(F)(F)F ZINC000165874775 368396250 /nfs/dbraw/zinc/39/62/50/368396250.db2.gz HGHVIDBNXSETQD-JTQLQIEISA-N 1 0 232.249 2.056 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC[NH3+])C1 ZINC000211079352 368399368 /nfs/dbraw/zinc/39/93/68/368399368.db2.gz OSSNTYYCOGURPB-ZJUUUORDSA-N 1 0 228.336 2.029 10 0 BEAERO C[C@@H](CN(C)C(=O)[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000399704138 368494475 /nfs/dbraw/zinc/49/44/75/368494475.db2.gz DBTMOMNXHLDFGE-RYUDHWBXSA-N 1 0 240.391 2.127 10 0 BEAERO CCC(C)(C)NC(=O)C[NH+]1CCCCCC1 ZINC000061804312 368571811 /nfs/dbraw/zinc/57/18/11/368571811.db2.gz STTOJCDLZDMJNV-UHFFFAOYSA-N 1 0 226.364 2.167 10 0 BEAERO CC[NH+](CC)CCOC(=O)N1CCC(C)CC1 ZINC000003599656 368874844 /nfs/dbraw/zinc/87/48/44/368874844.db2.gz MABZSQIIGLABCN-UHFFFAOYSA-N 1 0 242.363 2.197 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000253277443 368910149 /nfs/dbraw/zinc/91/01/49/368910149.db2.gz JFMOHUZBQMYOEV-ZIAGYGMSSA-N 1 0 219.328 2.279 10 0 BEAERO CC(C)[C@@H](C1=[NH+]CCN1)c1ccccc1 ZINC000114912954 368957675 /nfs/dbraw/zinc/95/76/75/368957675.db2.gz NYIKJUAPZRUFMX-GFCCVEGCSA-N 1 0 202.301 2.428 10 0 BEAERO Cc1cccc(C2CC2)c1CC1=[NH+]CCN1 ZINC000114909200 368957895 /nfs/dbraw/zinc/95/78/95/368957895.db2.gz QEWGBSJHIAWOKC-UHFFFAOYSA-N 1 0 214.312 2.417 10 0 BEAERO CC[NH2+]CC/N=C/c1cc(Cl)ccc1O ZINC000090460251 368983289 /nfs/dbraw/zinc/98/32/89/368983289.db2.gz ZDNVXKXFYNFKLU-RIYZIHGNSA-N 1 0 226.707 2.074 10 0 BEAERO COc1ccc2ccccc2c1OCC[NH3+] ZINC000090609940 368989814 /nfs/dbraw/zinc/98/98/14/368989814.db2.gz WDAZWAQYPTXKMR-UHFFFAOYSA-N 1 0 217.268 2.186 10 0 BEAERO [NH3+]C[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062720985 181438063 /nfs/dbraw/zinc/43/80/63/181438063.db2.gz MBBOQBPOULAGPB-BQBZGAKWSA-N 1 0 201.191 2.166 10 0 BEAERO [NH3+]C[C@H](c1ccccc1F)C(F)(F)F ZINC000082719051 181454437 /nfs/dbraw/zinc/45/44/37/181454437.db2.gz PGBISFUYWGWDKK-SSDOTTSWSA-N 1 0 207.170 2.430 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](CCc2ccccc2)O1 ZINC000040390953 181466215 /nfs/dbraw/zinc/46/62/15/181466215.db2.gz LKTJWDXCFJJUGY-QWHCGFSZSA-N 1 0 205.301 2.126 10 0 in-vivo BEAERO [NH3+]C[C@]1(Cc2c(F)cccc2Cl)CCOC1 ZINC000054637739 181469515 /nfs/dbraw/zinc/46/95/15/181469515.db2.gz FXSLSDALXZBQJD-GFCCVEGCSA-N 1 0 243.709 2.387 10 0 BEAERO [NH3+]C[C@]1(Cc2ccsc2)CCCOC1 ZINC000062193205 181469984 /nfs/dbraw/zinc/46/99/84/181469984.db2.gz NTNAWDVDAFERRS-LLVKDONJSA-N 1 0 211.330 2.046 10 0 BEAERO [NH3+]Cc1cc(F)ccc1-n1ccc(C2CC2)n1 ZINC000052884831 181476321 /nfs/dbraw/zinc/47/63/21/181476321.db2.gz PCHWLSPOQIYUAS-UHFFFAOYSA-N 1 0 231.274 2.348 10 0 BEAERO C[C@H]([NH3+])C(=O)c1cccc(C2CCC2)c1 ZINC000107193041 369334821 /nfs/dbraw/zinc/33/48/21/369334821.db2.gz WSPJWKYHUAKULG-VIFPVBQESA-N 1 0 203.285 2.484 10 0 BEAERO [NH3+]Cc1ccc(CO[C@H]2CC(=O)C23CCC3)cc1 ZINC000098095957 181481661 /nfs/dbraw/zinc/48/16/61/181481661.db2.gz MSQZDIXYFVQWAQ-AWEZNQCLSA-N 1 0 245.322 2.174 10 0 BEAERO [NH3+]Cc1ccc(F)c(COCC2CC2)c1 ZINC000019870732 181483047 /nfs/dbraw/zinc/48/30/47/181483047.db2.gz UIGPWVVAUPRHHV-UHFFFAOYSA-N 1 0 209.264 2.211 10 0 BEAERO Oc1ccc(C[NH2+]Cc2cc[nH]c2)cc1F ZINC000165678391 203385843 /nfs/dbraw/zinc/38/58/43/203385843.db2.gz GPLYJXGLIHFGIV-UHFFFAOYSA-N 1 0 220.247 2.149 10 0 BEAERO CC[N@H+](Cc1ccccn1)CC(O)(CC)CC ZINC000165507763 203386380 /nfs/dbraw/zinc/38/63/80/203386380.db2.gz ORUKQGZVVAVUSI-UHFFFAOYSA-N 1 0 236.359 2.455 10 0 BEAERO [NH3+]Cc1csc(Nc2ccccc2)n1 ZINC000011850540 181497343 /nfs/dbraw/zinc/49/73/43/181497343.db2.gz ZQTWTMGYRYYPMZ-UHFFFAOYSA-N 1 0 205.286 2.345 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2CO)ccn1 ZINC000621277523 370209617 /nfs/dbraw/zinc/20/96/17/370209617.db2.gz MRCZGUGDKPRMER-KGLIPLIRSA-N 1 0 234.343 2.031 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cn[nH]c1)CC2 ZINC000113310479 370399956 /nfs/dbraw/zinc/39/99/56/370399956.db2.gz DFLIKIRUNZUTFD-CQSZACIVSA-N 1 0 227.311 2.495 10 0 BEAERO C[C@@H]([NH3+])c1csc(-c2nccs2)n1 ZINC000161603308 370569575 /nfs/dbraw/zinc/56/95/75/370569575.db2.gz LBXSGNPTCKKULZ-RXMQYKEDSA-N 1 0 211.315 2.286 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000313247807 370574625 /nfs/dbraw/zinc/57/46/25/370574625.db2.gz UAMLFBMXGVFLLZ-RYUDHWBXSA-N 1 0 240.391 2.446 10 0 BEAERO CC[C@H]1CS[C@@H](c2nccs2)N1 ZINC000161614288 370605628 /nfs/dbraw/zinc/60/56/28/370605628.db2.gz PQLBZDSSTTXUDA-XPUUQOCRSA-N 1 0 200.332 2.257 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)[C@@H]1CCCCO1 ZINC000623896899 371145883 /nfs/dbraw/zinc/14/58/83/371145883.db2.gz BSLNVRSYVOYJTD-FQUUOJAGSA-N 1 0 241.375 2.085 10 0 BEAERO [NH3+][C@@H](Cc1cccc(F)c1)Cc1ccccn1 ZINC000037533893 181554725 /nfs/dbraw/zinc/55/47/25/181554725.db2.gz XFSKVOVIUSWZMW-ZDUSSCGKSA-N 1 0 230.286 2.333 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1F)C1CCOCC1 ZINC000061672861 181556342 /nfs/dbraw/zinc/55/63/42/181556342.db2.gz XEJNTCVAOYPXRC-ZDUSSCGKSA-N 1 0 223.291 2.122 10 0 BEAERO [NH3+][C@H](Cc1ccco1)Cc1ccccc1 ZINC000011599657 181557044 /nfs/dbraw/zinc/55/70/44/181557044.db2.gz VXZKLQPUBMPCME-LBPRGKRZSA-N 1 0 201.269 2.392 10 0 BEAERO [NH3+][C@@H](Cc1ccsc1)[C@H]1CCCOC1 ZINC000062236891 181558542 /nfs/dbraw/zinc/55/85/42/181558542.db2.gz OJXUXOFCGSELQJ-QWRGUYRKSA-N 1 0 211.330 2.045 10 0 BEAERO [NH3+][C@@H](c1cc2c(cc1F)NC(=O)CC2)C1CC1 ZINC000035359582 181561464 /nfs/dbraw/zinc/56/14/64/181561464.db2.gz RJZRSRAETONITL-CYBMUJFWSA-N 1 0 234.274 2.120 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1OCCOc1ccccc1 ZINC000019279129 181576201 /nfs/dbraw/zinc/57/62/01/181576201.db2.gz UQTALEOOQGUSDC-ZIAGYGMSSA-N 1 0 235.327 2.352 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000071536982 181584785 /nfs/dbraw/zinc/58/47/85/181584785.db2.gz JNJPMJHCGYBREM-CMPLNLGQSA-N 1 0 233.311 2.443 10 0 BEAERO [NH3+][C@@H]1CCCc2c(OCC(F)(F)F)ccnc21 ZINC000095221077 181586438 /nfs/dbraw/zinc/58/64/38/181586438.db2.gz ARVDHHVVRDCQQJ-MRVPVSSYSA-N 1 0 246.232 2.359 10 0 BEAERO [NH3+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000042590319 181590327 /nfs/dbraw/zinc/59/03/27/181590327.db2.gz KCQYDDPNSIPFMZ-MRVPVSSYSA-N 1 0 214.671 2.017 10 0 BEAERO [NH3+][C@H](Cc1cscn1)c1ccccc1 ZINC000051965925 181628703 /nfs/dbraw/zinc/62/87/03/181628703.db2.gz QUUGNXYMGFOMQY-LLVKDONJSA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@H](CNc1ccccn1)c1ccccc1 ZINC000062838453 181617297 /nfs/dbraw/zinc/61/72/97/181617297.db2.gz RLXJSCNTNJWHDG-GFCCVEGCSA-N 1 0 213.284 2.194 10 0 BEAERO N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000020260083 181601835 /nfs/dbraw/zinc/60/18/35/181601835.db2.gz PMDGVUJWHYIPGG-UONOGXRCSA-N 1 0 216.328 2.097 10 0 BEAERO [NH3+][C@H](c1ccc2c(c1)CCO2)[C@@H]1CCCCO1 ZINC000050960923 181632534 /nfs/dbraw/zinc/63/25/34/181632534.db2.gz XMEUAMUPORIJFV-UONOGXRCSA-N 1 0 233.311 2.190 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccc(Cl)cn1 ZINC000038051030 181641553 /nfs/dbraw/zinc/64/15/53/181641553.db2.gz OKQUGTIISLZBDT-UWVGGRQHSA-N 1 0 225.723 2.417 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1Nc1ncnc2ccccc21 ZINC000038051141 181642313 /nfs/dbraw/zinc/64/23/13/181642313.db2.gz ZVORSODUIMRDQW-WCQYABFASA-N 1 0 242.326 2.312 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](c2nc(-c3ccccn3)no2)C1 ZINC000070557233 181646134 /nfs/dbraw/zinc/64/61/34/181646134.db2.gz OHBDPKMLIPDTGI-ZJUUUORDSA-N 1 0 244.298 2.117 10 0 BEAERO [NH3+][C@]1(c2cccnc2)CCc2ccccc2C1 ZINC000037761509 181663420 /nfs/dbraw/zinc/66/34/20/181663420.db2.gz LWMHMIBCLHDBDO-OAHLLOKOSA-N 1 0 224.307 2.425 10 0 BEAERO Nc1ccc2c(c1)C[C@@H]([NH+]1CCCCC1)C2 ZINC000039219920 181730905 /nfs/dbraw/zinc/73/09/05/181730905.db2.gz BDOFFYKNBQYFGH-AWEZNQCLSA-N 1 0 216.328 2.222 10 0 BEAERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235040 371422354 /nfs/dbraw/zinc/42/23/54/371422354.db2.gz CAXYNGXOAVGCOB-KBPBESRZSA-N 1 0 243.391 2.187 10 0 BEAERO Nc1c[nH+]ccc1N1CCC[C@@H]1c1ccncc1 ZINC000036132383 181769954 /nfs/dbraw/zinc/76/99/54/181769954.db2.gz PEFJEYLRVYWNSB-CYBMUJFWSA-N 1 0 240.310 2.400 10 0 BEAERO Cc1ccoc1C[NH2+]CC[C@H]1CCCO1 ZINC000126655405 371542887 /nfs/dbraw/zinc/54/28/87/371542887.db2.gz AXNPVDXNMSLQPC-LLVKDONJSA-N 1 0 209.289 2.247 10 0 BEAERO CC1(C)CS[C@@H](c2cscn2)N1 ZINC000126800420 371551717 /nfs/dbraw/zinc/55/17/17/371551717.db2.gz HYVHVQXIPZHZDR-ZETCQYMHSA-N 1 0 200.332 2.257 10 0 BEAERO FC(F)(Br)[C@]1(F)CCC[NH2+]C1 ZINC000225683759 371566131 /nfs/dbraw/zinc/56/61/31/371566131.db2.gz PLBDPJSTPZCEAD-YFKPBYRVSA-N 1 0 232.043 2.066 10 0 BEAERO [NH3+][C@@H]1CC[C@](F)(C(F)(F)Br)C1 ZINC000225684457 371566357 /nfs/dbraw/zinc/56/63/57/371566357.db2.gz YXSAMTKMEZELRE-RFZPGFLSSA-N 1 0 232.043 2.194 10 0 BEAERO CO[C@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000161969161 371596400 /nfs/dbraw/zinc/59/64/00/371596400.db2.gz ZZBSHJGJNHDVME-SECBINFHSA-N 1 0 248.095 2.234 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(SC)cc1 ZINC000002582537 371604881 /nfs/dbraw/zinc/60/48/81/371604881.db2.gz JDCKIJHPCOAUKZ-LLVKDONJSA-N 1 0 239.340 2.362 10 0 BEAERO COc1cccc(Cl)c1[C@H]1C[C@H]1C[NH3+] ZINC000162077193 371608236 /nfs/dbraw/zinc/60/82/36/371608236.db2.gz KCAATIXSQZSTMF-YUMQZZPRSA-N 1 0 211.692 2.411 10 0 BEAERO C[C@H]1[C@H](c2ccc(Br)o2)C[C@@H]1[NH3+] ZINC000131881883 371704541 /nfs/dbraw/zinc/70/45/41/371704541.db2.gz HEEKRKRYVBKTMK-XVMARJQXSA-N 1 0 230.105 2.493 10 0 BEAERO [NH3+][C@@H]1CCc2sc(Br)cc21 ZINC000162529170 371706270 /nfs/dbraw/zinc/70/62/70/371706270.db2.gz ZGHZBGYZJJDUNO-RXMQYKEDSA-N 1 0 218.119 2.457 10 0 BEAERO C[C@H]([NH3+])c1cnc(N2CC[C@@H](C)C2)s1 ZINC000226645395 371713052 /nfs/dbraw/zinc/71/30/52/371713052.db2.gz VJUJANIUYUBZPW-SFYZADRCSA-N 1 0 211.334 2.009 10 0 BEAERO [NH3+][C@H]1C=C[C@@H](C(=O)CC2CCCCC2)C1 ZINC000226564507 371698699 /nfs/dbraw/zinc/69/86/99/371698699.db2.gz LPJBDRMPOJXVKA-NEPJUHHUSA-N 1 0 207.317 2.429 10 0 BEAERO CCCC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000132182329 371761093 /nfs/dbraw/zinc/76/10/93/371761093.db2.gz ZQVNRTLEIMXIII-AWEZNQCLSA-N 1 0 248.370 2.076 10 0 BEAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230259416 371878838 /nfs/dbraw/zinc/87/88/38/371878838.db2.gz HWEUVCLNXIAYEF-RKDXNWHRSA-N 1 0 214.378 2.029 10 0 BEAERO C[NH2+][C@H](c1ccsc1C)[C@@H]1CCCO1 ZINC000227792266 371939917 /nfs/dbraw/zinc/93/99/17/371939917.db2.gz FAJQFURLYQRIIA-WDEREUQCSA-N 1 0 211.330 2.496 10 0 BEAERO CN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1F ZINC000162990366 371903844 /nfs/dbraw/zinc/90/38/44/371903844.db2.gz ZVUKCWWSUZSNPG-JTQLQIEISA-N 1 0 216.687 2.041 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)C1 ZINC000230817026 371959871 /nfs/dbraw/zinc/95/98/71/371959871.db2.gz ADDUZZHQIAKEON-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO CO[C@H](C[NH3+])c1sccc1Br ZINC000228023681 371978387 /nfs/dbraw/zinc/97/83/87/371978387.db2.gz WYPITCUGGGFPRC-ZCFIWIBFSA-N 1 0 236.134 2.157 10 0 BEAERO Cc1sccc1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000227880996 371952784 /nfs/dbraw/zinc/95/27/84/371952784.db2.gz HDLTZMJJDHXQIJ-ZJUUUORDSA-N 1 0 209.314 2.367 10 0 BEAERO Cc1cc(Br)ccc1[C@@H](O)[C@H](C)[NH3+] ZINC000217449773 371956857 /nfs/dbraw/zinc/95/68/57/371956857.db2.gz FYBSQOLOEILTQL-XVKPBYJWSA-N 1 0 244.132 2.138 10 0 BEAERO CN(C)C(=[NH2+])c1ccc(F)cc1Br ZINC000228316199 372015221 /nfs/dbraw/zinc/01/52/21/372015221.db2.gz FXCMWKPWZCXGIU-UHFFFAOYSA-N 1 0 245.095 2.475 10 0 BEAERO CC(C)([NH3+])C(=O)Cc1cccc(Cl)c1F ZINC000228430725 372026128 /nfs/dbraw/zinc/02/61/28/372026128.db2.gz MWARSBDJSOYERL-UHFFFAOYSA-N 1 0 229.682 2.328 10 0 BEAERO C[C@H](C[NH3+])Cc1coc(Br)c1 ZINC000306676266 372054576 /nfs/dbraw/zinc/05/45/76/372054576.db2.gz VRUFBKCHHWDNSB-LURJTMIESA-N 1 0 218.094 2.179 10 0 BEAERO C[C@@H]([NH3+])c1nc(-c2cncs2)cs1 ZINC000229138935 372122074 /nfs/dbraw/zinc/12/20/74/372122074.db2.gz RUHDJZTYDFEFQM-RXMQYKEDSA-N 1 0 211.315 2.286 10 0 BEAERO Cc1ccc(Cl)c(N[C@@H]2CC[NH2+]C2)c1 ZINC000232229169 372116725 /nfs/dbraw/zinc/11/67/25/372116725.db2.gz ZQZDSMLKCHINBO-SECBINFHSA-N 1 0 210.708 2.422 10 0 BEAERO C[C@H](C[NH3+])c1nc(-c2cncs2)cs1 ZINC000229140912 372122737 /nfs/dbraw/zinc/12/27/37/372122737.db2.gz ORTIKOFYCYTFMB-ZCFIWIBFSA-N 1 0 225.342 2.329 10 0 BEAERO [NH3+][C@@H]1CCCc2c(F)cc(F)c(F)c21 ZINC000228799162 372081423 /nfs/dbraw/zinc/08/14/23/372081423.db2.gz GNVFRCYZIXJOPX-MRVPVSSYSA-N 1 0 201.191 2.440 10 0 BEAERO C[C@@](F)(c1ccsn1)[C@@H]1CCC[NH2+]1 ZINC000306965502 372082502 /nfs/dbraw/zinc/08/25/02/372082502.db2.gz KDDFOPQQALQSEG-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO CCCC[N@@H+]([C@@H](CN)[C@@H]1CCOC1)[C@@H](C)CC ZINC000042602789 168822295 /nfs/dbraw/zinc/82/22/95/168822295.db2.gz OLAWPTZARGWNTO-MJBXVCDLSA-N 1 0 242.407 2.251 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1cccc(Cl)c1F ZINC000229247229 372131900 /nfs/dbraw/zinc/13/19/00/372131900.db2.gz DZWHCZXLWKGPMD-VIFPVBQESA-N 1 0 245.681 2.432 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2OCC[C@@H]2C)cs1 ZINC000229451623 372152869 /nfs/dbraw/zinc/15/28/69/372152869.db2.gz ZEUPLSQHQUUIRV-SWPVVBRQSA-N 1 0 211.330 2.481 10 0 BEAERO O=C(COC[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000095072861 181998931 /nfs/dbraw/zinc/99/89/31/181998931.db2.gz MSVJSPJQKDDQMM-JTQLQIEISA-N 1 0 239.340 2.090 10 0 BEAERO O=C(C[C@@H]1CCCC[NH2+]1)NCCC1CCCC1 ZINC000037741560 182016682 /nfs/dbraw/zinc/01/66/82/182016682.db2.gz MTLAYWVEGMCOFE-ZDUSSCGKSA-N 1 0 238.375 2.215 10 0 BEAERO O=C(C[C@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000020597442 182026795 /nfs/dbraw/zinc/02/67/95/182026795.db2.gz CINGBIIILSVSML-GFCCVEGCSA-N 1 0 218.300 2.157 10 0 BEAERO O=C(C[C@H]1CCCC[NH2+]1)NCCC1CCCC1 ZINC000037741561 182027457 /nfs/dbraw/zinc/02/74/57/182027457.db2.gz MTLAYWVEGMCOFE-CYBMUJFWSA-N 1 0 238.375 2.215 10 0 BEAERO CCCC[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000039287279 372930272 /nfs/dbraw/zinc/93/02/72/372930272.db2.gz OVMMOXPVSFEKRK-UHFFFAOYSA-N 1 0 244.338 2.428 10 0 BEAERO O=C(Cc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000041279477 182044988 /nfs/dbraw/zinc/04/49/88/182044988.db2.gz RDKUPDXWLGGEAJ-NSHDSACASA-N 1 0 237.730 2.451 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](C)O ZINC000222746470 259560412 /nfs/dbraw/zinc/56/04/12/259560412.db2.gz YPLFTNWYFSSQHA-NDBYEHHHSA-N 1 0 213.365 2.418 10 0 BEAERO c1sc(C[C@H]2CCC[NH2+]2)nc1C1CC1 ZINC000068906459 373087239 /nfs/dbraw/zinc/08/72/39/373087239.db2.gz YGJCIPUMZRYOQT-SECBINFHSA-N 1 0 208.330 2.315 10 0 BEAERO CCn1nccc1[C@@H]([NH3+])c1cccs1 ZINC000069024863 373107744 /nfs/dbraw/zinc/10/77/44/373107744.db2.gz AJTKCEFWMREXFN-SNVBAGLBSA-N 1 0 207.302 2.013 10 0 BEAERO CN1CCCC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799269 373807470 /nfs/dbraw/zinc/80/74/70/373807470.db2.gz QCBIQUCYHQZHNA-MNOVXSKESA-N 1 0 210.346 2.232 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@@H]1c1ccc(C)s1 ZINC000069799720 373807491 /nfs/dbraw/zinc/80/74/91/373807491.db2.gz KMRQUXJYTMNNNO-GXSJLCMTSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1ccsc1[C@](C)(O)[C@H]1CCC[NH2+]1 ZINC000069844477 373876827 /nfs/dbraw/zinc/87/68/27/373876827.db2.gz AXMLPQCXXHDQLG-MWLCHTKSSA-N 1 0 211.330 2.016 10 0 BEAERO Cc1ccsc1[C@](C)(O)[C@@H]1CCC[NH2+]1 ZINC000069844473 373877202 /nfs/dbraw/zinc/87/72/02/373877202.db2.gz AXMLPQCXXHDQLG-GXSJLCMTSA-N 1 0 211.330 2.016 10 0 BEAERO CCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178299146 134306262 /nfs/dbraw/zinc/30/62/62/134306262.db2.gz TZVXVODJWJIYLB-ZDUSSCGKSA-N 1 0 221.348 2.456 10 0 BEAERO [NH3+]Cc1cc2c([nH]1)c(F)cc(F)c2F ZINC000070041776 374111379 /nfs/dbraw/zinc/11/13/79/374111379.db2.gz UNIAPLVBIYNXTA-UHFFFAOYSA-N 1 0 200.163 2.044 10 0 BEAERO O=C(c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000041219094 374120994 /nfs/dbraw/zinc/12/09/94/374120994.db2.gz GDKUSMLBTLVDLG-SNVBAGLBSA-N 1 0 209.676 2.275 10 0 BEAERO CC[C@H](C)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381757151 374143530 /nfs/dbraw/zinc/14/35/30/374143530.db2.gz GVSQVNUBLOHRAA-TVRMLOFPSA-N 1 0 242.363 2.455 10 0 BEAERO Cc1csc([C@@H](C)NC2=[NH+]CCS2)n1 ZINC000070734443 374184077 /nfs/dbraw/zinc/18/40/77/374184077.db2.gz KFEZFEJTSFHFER-SSDOTTSWSA-N 1 0 227.358 2.205 10 0 BEAERO CC[C@H](NC1=[NH+]CCS1)c1nccs1 ZINC000070734378 374184577 /nfs/dbraw/zinc/18/45/77/374184577.db2.gz LSANHRIAOMQPSQ-ZETCQYMHSA-N 1 0 227.358 2.287 10 0 BEAERO [NH3+][C@@H](c1nc2c(s1)CSCC2)C1CC1 ZINC000042335335 374262748 /nfs/dbraw/zinc/26/27/48/374262748.db2.gz CEAZGWUELYVREX-SECBINFHSA-N 1 0 226.370 2.342 10 0 BEAERO CC(C)([NH3+])[C@@H](O)c1ccccc1Br ZINC000071558619 374275945 /nfs/dbraw/zinc/27/59/45/374275945.db2.gz QSNDUGGRPZQJAW-VIFPVBQESA-N 1 0 244.132 2.220 10 0 BEAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)C ZINC000042944581 374298447 /nfs/dbraw/zinc/29/84/47/374298447.db2.gz QTPXZKPCJBDDKS-GZMMTYOYSA-N 1 0 212.724 2.290 10 0 BEAERO c1cc2n(c1)[C@@H]1CCCC[C@H]1NC21CC[NH2+]CC1 ZINC000144314882 374283318 /nfs/dbraw/zinc/28/33/18/374283318.db2.gz VIIBZNSRDLMKHQ-CHWSQXEVSA-N 1 0 245.370 2.154 10 0 BEAERO C[C@@H](C[NH3+])N1CCc2sccc2[C@H]1C ZINC000042744042 374285654 /nfs/dbraw/zinc/28/56/54/374285654.db2.gz IWBFHRBBYDXTBC-DTWKUNHWSA-N 1 0 210.346 2.014 10 0 BEAERO CCN1C[C@H]([NH2+][C@H]2CCC2(C)C)[C@@H](C)C1 ZINC000309061766 170036808 /nfs/dbraw/zinc/03/68/08/170036808.db2.gz XDESWJGQIHIEBE-SRVKXCTJSA-N 1 0 210.365 2.105 10 0 BEAERO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000224126943 259572644 /nfs/dbraw/zinc/57/26/44/259572644.db2.gz TWUHGZHHAOVFDK-AEGPPILISA-N 1 0 231.339 2.425 10 0 BEAERO CCCC[NH2+]C[C@H](O)c1ccc(Cl)c(N)c1 ZINC000098126702 168868684 /nfs/dbraw/zinc/86/86/84/168868684.db2.gz OUUNHVGDXOPEOB-LBPRGKRZSA-N 1 0 242.750 2.345 10 0 BEAERO CCCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000034938707 168872692 /nfs/dbraw/zinc/87/26/92/168872692.db2.gz BJJNQIORQAFBOG-JTQLQIEISA-N 1 0 214.353 2.069 10 0 BEAERO CCCCNc1nc2c(s1)C[NH2+][C@H](C)C2 ZINC000039110849 168882158 /nfs/dbraw/zinc/88/21/58/168882158.db2.gz KBCHOHCOSQDERH-MRVPVSSYSA-N 1 0 225.361 2.389 10 0 BEAERO O=C(c1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]C1 ZINC000038057627 182666558 /nfs/dbraw/zinc/66/65/58/182666558.db2.gz QHDKXUAUEKNEKX-CYBMUJFWSA-N 1 0 245.322 2.194 10 0 BEAERO O=C1CC[NH2+]C[C@@H]1Cc1c(F)cccc1Cl ZINC000071550869 182744002 /nfs/dbraw/zinc/74/40/02/182744002.db2.gz JVRSWGOKXNXLKJ-QMMMGPOBSA-N 1 0 241.693 2.200 10 0 BEAERO OC1CCC([NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000309572818 183027872 /nfs/dbraw/zinc/02/78/72/183027872.db2.gz NNSZCHMOVFQAMB-XVSSEFHLSA-N 1 0 229.339 2.408 10 0 BEAERO OC1(C2CC2)C[NH+](C[C@H]2CCCCC2(F)F)C1 ZINC000336144607 183015575 /nfs/dbraw/zinc/01/55/75/183015575.db2.gz HLIOTQVUJNYXPG-LLVKDONJSA-N 1 0 245.313 2.269 10 0 BEAERO OCCCCC[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000374563440 183046201 /nfs/dbraw/zinc/04/62/01/183046201.db2.gz ZYMRHQKDBUTSKN-QWHCGFSZSA-N 1 0 211.349 2.414 10 0 BEAERO OCCCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000229106984 183046771 /nfs/dbraw/zinc/04/67/71/183046771.db2.gz PUHXRFTUCSIJOY-CYBMUJFWSA-N 1 0 235.327 2.132 10 0 BEAERO OCCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000308912557 183047294 /nfs/dbraw/zinc/04/72/94/183047294.db2.gz YJMZXPKISYGZBF-RYUDHWBXSA-N 1 0 217.328 2.267 10 0 BEAERO OCCCCC[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000374563438 183047319 /nfs/dbraw/zinc/04/73/19/183047319.db2.gz ZYMRHQKDBUTSKN-CHWSQXEVSA-N 1 0 211.349 2.414 10 0 BEAERO OC1[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000020286437 183032081 /nfs/dbraw/zinc/03/20/81/183032081.db2.gz ACJRQBSQRDKBHB-YIONKMFJSA-N 1 0 231.339 2.279 10 0 BEAERO OCC1([NH2+]Cc2coc3ccccc23)CC1 ZINC000120388428 183038160 /nfs/dbraw/zinc/03/81/60/183038160.db2.gz SKFSULMOBGPQLL-UHFFFAOYSA-N 1 0 217.268 2.047 10 0 BEAERO OC[C@@H]1CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000377244100 183115720 /nfs/dbraw/zinc/11/57/20/183115720.db2.gz WIRUSMLYEUAGDH-UONOGXRCSA-N 1 0 223.360 2.437 10 0 BEAERO OC[C@@H]1CCCC[N@H+](CCC(F)(F)F)C1 ZINC000363354759 183116749 /nfs/dbraw/zinc/11/67/49/183116749.db2.gz DOFFDBPYRCYQNE-SECBINFHSA-N 1 0 225.254 2.033 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000037823981 169005720 /nfs/dbraw/zinc/00/57/20/169005720.db2.gz OEYVZMHFDIWEJE-AAEUAGOBSA-N 1 0 249.358 2.119 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000152321670 183117502 /nfs/dbraw/zinc/11/75/02/183117502.db2.gz SUTDWCOKDDCGAX-NWDGAFQWSA-N 1 0 225.357 2.389 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000309470651 183117883 /nfs/dbraw/zinc/11/78/83/183117883.db2.gz AMZDVFNBTYJSKZ-YNEHKIRRSA-N 1 0 223.360 2.460 10 0 BEAERO CCCC[C@H]([NH2+]CC(N)=O)c1ccc(F)cc1 ZINC000020083338 169011426 /nfs/dbraw/zinc/01/14/26/169011426.db2.gz KEOICPCTZATKAM-LBPRGKRZSA-N 1 0 238.306 2.132 10 0 BEAERO OC[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000038124259 183107102 /nfs/dbraw/zinc/10/71/02/183107102.db2.gz JVMNYYAAXSVKTJ-LLVKDONJSA-N 1 0 211.692 2.125 10 0 BEAERO OC[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000038124251 183108520 /nfs/dbraw/zinc/10/85/20/183108520.db2.gz ZYPKEXALBZCKQP-LLVKDONJSA-N 1 0 211.692 2.125 10 0 BEAERO OC[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000063001975 183109595 /nfs/dbraw/zinc/10/95/95/183109595.db2.gz JOFLEIBODMZXIG-ZNMIVQPWSA-N 1 0 249.354 2.003 10 0 BEAERO OC[C@@]1([NH2+]C2CCCCC2)CCCSC1 ZINC000061590841 183134582 /nfs/dbraw/zinc/13/45/82/183134582.db2.gz IAGPUAUBMZBSOU-LBPRGKRZSA-N 1 0 229.389 2.167 10 0 BEAERO CCCCc1ccc(-n2cc(C[NH3+])nn2)cc1 ZINC000050224158 169019509 /nfs/dbraw/zinc/01/95/09/169019509.db2.gz ZJTFCQGKIVSXSJ-UHFFFAOYSA-N 1 0 230.315 2.069 10 0 BEAERO CCCCc1ccc([C@@H]([NH3+])CCO)cc1 ZINC000044232914 169021728 /nfs/dbraw/zinc/02/17/28/169021728.db2.gz LXGSYCCVOOOFTB-ZDUSSCGKSA-N 1 0 207.317 2.411 10 0 BEAERO OC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000062999420 183138416 /nfs/dbraw/zinc/13/84/16/183138416.db2.gz PXCIPTXXZJEHDW-AWEZNQCLSA-N 1 0 231.339 2.498 10 0 BEAERO CCCCc1ccc([C@@H]([NH2+]C)C(=O)NC)cc1 ZINC000098125942 169022214 /nfs/dbraw/zinc/02/22/14/169022214.db2.gz REOWUULMGSMMEC-CYBMUJFWSA-N 1 0 234.343 2.036 10 0 BEAERO CCCCc1ccc([C@@H](C[NH3+])CO)cc1 ZINC000071510678 169022587 /nfs/dbraw/zinc/02/25/87/169022587.db2.gz ICUNRUMYIBEPHI-ZDUSSCGKSA-N 1 0 207.317 2.064 10 0 BEAERO OC[C@@H]1C[C@@H]([NH2+]CC2CC2)c2ccccc21 ZINC000376958218 183130405 /nfs/dbraw/zinc/13/04/05/183130405.db2.gz OKACOYGNDXXMRZ-SMDDNHRTSA-N 1 0 217.312 2.207 10 0 BEAERO OC[C@H]1CCCC[N@H+](CCc2ccccc2)C1 ZINC000374035064 183146777 /nfs/dbraw/zinc/14/67/77/183146777.db2.gz BRTZDEBQUBGVHG-HNNXBMFYSA-N 1 0 233.355 2.324 10 0 BEAERO OC[C@H]1CCCC[N@H+](Cc2ccccc2F)C1 ZINC000374051016 183146950 /nfs/dbraw/zinc/14/69/50/183146950.db2.gz NVTRZAOTHNLJGR-LBPRGKRZSA-N 1 0 237.318 2.420 10 0 BEAERO OC[C@H]1CCCC[N@H+](CCCCCF)C1 ZINC000375364401 183146955 /nfs/dbraw/zinc/14/69/55/183146955.db2.gz XYKORNLDCFDFHX-LBPRGKRZSA-N 1 0 217.328 2.221 10 0 BEAERO OC[C@]1([NH2+]Cc2ccccc2)CCCSC1 ZINC000061590840 183159457 /nfs/dbraw/zinc/15/94/57/183159457.db2.gz NBYUTANGLAHUPJ-CYBMUJFWSA-N 1 0 237.368 2.034 10 0 BEAERO CCCN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])C(C)C ZINC000055086973 169044479 /nfs/dbraw/zinc/04/44/79/169044479.db2.gz GJPLIKJRVAEXKS-NEPJUHHUSA-N 1 0 226.364 2.151 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000037871900 183177487 /nfs/dbraw/zinc/17/74/87/183177487.db2.gz VYHKACVKAMMUQV-NSHDSACASA-N 1 0 245.244 2.491 10 0 BEAERO CCCN(C(=O)[C@H]1[NH2+]CCC[C@@H]1C)C(C)C ZINC000051792560 169046156 /nfs/dbraw/zinc/04/61/56/169046156.db2.gz YDYVRACSYAUGKJ-RYUDHWBXSA-N 1 0 226.364 2.022 10 0 BEAERO CCCN(C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C)C(C)C ZINC000055126331 169046955 /nfs/dbraw/zinc/04/69/55/169046955.db2.gz VFNCMZDDDCJGDK-XQQFMLRXSA-N 1 0 240.391 2.397 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCCC[NH2+]1 ZINC000074367928 183184614 /nfs/dbraw/zinc/18/46/14/183184614.db2.gz VGHUNRYHQKGSJF-GJZGRUSLSA-N 1 0 231.339 2.351 10 0 BEAERO O[C@@H](c1c[nH]c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000036906407 183184789 /nfs/dbraw/zinc/18/47/89/183184789.db2.gz AVYSGIUTMJEUER-QMTHXVAHSA-N 1 0 230.311 2.201 10 0 BEAERO O[C@@H](CCc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000071532481 183174298 /nfs/dbraw/zinc/17/42/98/183174298.db2.gz RJBKRAGCQDMLQP-PWSUYJOCSA-N 1 0 225.357 2.041 10 0 BEAERO O[C@@H](C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000042444416 183175018 /nfs/dbraw/zinc/17/50/18/183175018.db2.gz FSWNAZVHAUJDLP-ZDUSSCGKSA-N 1 0 237.368 2.159 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000037166280 183196072 /nfs/dbraw/zinc/19/60/72/183196072.db2.gz WWSINUJDIZDUNF-VXGBXAGGSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368693896 183189789 /nfs/dbraw/zinc/18/97/89/183189789.db2.gz VPVLHNSBPXZRAV-FVCCEPFGSA-N 1 0 209.333 2.164 10 0 BEAERO O[C@@H]1CCC[NH2+][C@@H]1c1ccccc1Cl ZINC000082372976 183193622 /nfs/dbraw/zinc/19/36/22/183193622.db2.gz ALSKCVLWZUYSNV-GHMZBOCLSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000037164283 183194879 /nfs/dbraw/zinc/19/48/79/183194879.db2.gz PFRHBWVCKXGDAM-CHWSQXEVSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@@]1(c2cc3ccccc3o2)C[NH+]2CCC1CC2 ZINC000013740301 183217559 /nfs/dbraw/zinc/21/75/59/183217559.db2.gz POFHOXXJFNDMNR-HNNXBMFYSA-N 1 0 243.306 2.346 10 0 BEAERO O[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000071559605 183218263 /nfs/dbraw/zinc/21/82/63/183218263.db2.gz RFPXZCXMMBGXTE-NSHDSACASA-N 1 0 245.244 2.276 10 0 BEAERO O[C@H](C[NH2+]C1CC1)c1ccccc1Cl ZINC000032012593 183223000 /nfs/dbraw/zinc/22/30/00/183223000.db2.gz XEMKDFCDKAMWLB-LLVKDONJSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H](c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000036162537 183228500 /nfs/dbraw/zinc/22/85/00/183228500.db2.gz OJXFFKWTXGQWAU-XCBNKYQSSA-N 1 0 231.748 2.435 10 0 BEAERO O[C@H](c1c(F)cc(F)cc1F)C1CC[NH2+]CC1 ZINC000036906354 183228562 /nfs/dbraw/zinc/22/85/62/183228562.db2.gz FCGHCHSIEUVBAK-LBPRGKRZSA-N 1 0 245.244 2.137 10 0 BEAERO O[C@H](c1c[nH]c2ccccc21)C1CC[NH2+]CC1 ZINC000001852934 183228981 /nfs/dbraw/zinc/22/89/81/183228981.db2.gz SMNYYJOJHZYPGO-AWEZNQCLSA-N 1 0 230.311 2.201 10 0 BEAERO O[C@H](c1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000041292044 183229258 /nfs/dbraw/zinc/22/92/58/183229258.db2.gz PBBJMOPBMAWFGO-GHMZBOCLSA-N 1 0 245.244 2.491 10 0 BEAERO O[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000041292062 183229570 /nfs/dbraw/zinc/22/95/70/183229570.db2.gz GEFSUTRYNXBZOB-WDEREUQCSA-N 1 0 245.244 2.491 10 0 BEAERO O[C@H]1CCC2=C(C[N@@H+](C3CCCCC3)C2)C1 ZINC000169343121 183230366 /nfs/dbraw/zinc/23/03/66/183230366.db2.gz JJCCLKZHOWCWKJ-AWEZNQCLSA-N 1 0 221.344 2.476 10 0 BEAERO O[C@H]1CCC2=C(C[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000169343091 183230860 /nfs/dbraw/zinc/23/08/60/183230860.db2.gz CKBBOXSCVJQABJ-KBPBESRZSA-N 1 0 221.344 2.476 10 0 BEAERO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000371473121 183214669 /nfs/dbraw/zinc/21/46/69/183214669.db2.gz LIJHPGVAZOMOOV-VNQPRFMTSA-N 1 0 243.350 2.377 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000050683317 183238067 /nfs/dbraw/zinc/23/80/67/183238067.db2.gz RCBFYGSNOSPXKE-NEPJUHHUSA-N 1 0 225.719 2.343 10 0 BEAERO O[C@H]1C[NH2+][C@H](c2ccccc2)c2ccccc21 ZINC000082294029 183245997 /nfs/dbraw/zinc/24/59/97/183245997.db2.gz CJDAAEDVKRKQSN-LSDHHAIUSA-N 1 0 225.291 2.413 10 0 BEAERO CCC[N@H+](CC)CC(=O)Nc1c(C)cccc1N ZINC000037273278 169120050 /nfs/dbraw/zinc/12/00/50/169120050.db2.gz CWDDTTLBSWHIEO-UHFFFAOYSA-N 1 0 249.358 2.248 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCCc2occc2C1 ZINC000288656438 183232996 /nfs/dbraw/zinc/23/29/96/183232996.db2.gz BKWCEUFFPBAKEN-OLZOCXBDSA-N 1 0 235.327 2.331 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000037166278 183235783 /nfs/dbraw/zinc/23/57/83/183235783.db2.gz WWSINUJDIZDUNF-NEPJUHHUSA-N 1 0 223.291 2.219 10 0 BEAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]CCc1ccco1 ZINC000035661585 183282121 /nfs/dbraw/zinc/28/21/21/183282121.db2.gz QMPCYDLCKOPXNY-CYBMUJFWSA-N 1 0 245.278 2.251 10 0 BEAERO CCC[N@H+](CC)[C@H]1Cc2ccccc2[C@@H]1N ZINC000037094993 169132490 /nfs/dbraw/zinc/13/24/90/169132490.db2.gz DPRYTAVVKRJRDF-KBPBESRZSA-N 1 0 218.344 2.343 10 0 BEAERO Oc1ccc([C@]2(O)CC[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000033756232 183278734 /nfs/dbraw/zinc/27/87/34/183278734.db2.gz PZGMZGPBLOKKJK-ZFWWWQNUSA-N 1 0 247.338 2.228 10 0 BEAERO Oc1ccc2c(c1)C[C@@H]([NH+]1CCCCC1)C2 ZINC000039219922 183280121 /nfs/dbraw/zinc/28/01/21/183280121.db2.gz MRIPIXMSNCGISW-ZDUSSCGKSA-N 1 0 217.312 2.345 10 0 BEAERO CCCN(CC[NH2+]C)Cc1cccc(OC)c1 ZINC000042404214 169159083 /nfs/dbraw/zinc/15/90/83/169159083.db2.gz XOEMAESJFZJOBA-UHFFFAOYSA-N 1 0 236.359 2.127 10 0 BEAERO CCC[N@H+](CCOC)[C@]1(CN)CCC[C@H](C)C1 ZINC000050089462 169168643 /nfs/dbraw/zinc/16/86/43/169168643.db2.gz YFNHXLCZTGKLSL-UONOGXRCSA-N 1 0 242.407 2.252 10 0 BEAERO CCC[N@H+](CCc1cccnc1)C(C)(C)CN ZINC000063222122 169170752 /nfs/dbraw/zinc/17/07/52/169170752.db2.gz HYYLGSXIOUMRTL-UHFFFAOYSA-N 1 0 235.375 2.073 10 0 BEAERO CCCN(c1cc(C)nc(C)n1)[C@@H]1CCC[NH2+]C1 ZINC000104342206 169182976 /nfs/dbraw/zinc/18/29/76/169182976.db2.gz ZKSQGPKQSQVYQR-CYBMUJFWSA-N 1 0 248.374 2.062 10 0 BEAERO CCOc1ccc2c(ccc(C)[n+]2C)c1 ZINC000039099078 183317526 /nfs/dbraw/zinc/31/75/26/183317526.db2.gz HQEMAHGCXWYTNX-UHFFFAOYSA-N 1 0 201.269 2.245 10 0 BEAERO c1c2c(cc3c1OCCO3)[C@@H](C1CCC1)[NH2+]CC2 ZINC000083702631 183321686 /nfs/dbraw/zinc/32/16/86/183321686.db2.gz CIKJORYJEAKSJO-OAHLLOKOSA-N 1 0 245.322 2.445 10 0 BEAERO CCC[NH+]1CCC(n2ncc(Cl)c2N)CC1 ZINC000043665224 169191958 /nfs/dbraw/zinc/19/19/58/169191958.db2.gz OHGYZEZQOBAHCX-UHFFFAOYSA-N 1 0 242.754 2.166 10 0 BEAERO CCC[N@@H+]1CCC=C(c2csc(N)n2)C1 ZINC000003647370 169192095 /nfs/dbraw/zinc/19/20/95/169192095.db2.gz VJPANQWIZQHGMJ-UHFFFAOYSA-N 1 0 223.345 2.224 10 0 BEAERO CCC[N@@H+]1CCCN(c2nc(C)cc(C)n2)CC1 ZINC000301125976 169192659 /nfs/dbraw/zinc/19/26/59/169192659.db2.gz OGWTULYZOAOYAX-UHFFFAOYSA-N 1 0 248.374 2.016 10 0 BEAERO CCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000073652243 169195832 /nfs/dbraw/zinc/19/58/32/169195832.db2.gz SJIWQDCLTZKKGZ-CYBMUJFWSA-N 1 0 210.365 2.347 10 0 BEAERO CCC[N@@H+]1CC[C@@H](CC(=O)OCC)C[C@@H]1C ZINC000073655998 169204376 /nfs/dbraw/zinc/20/43/76/169204376.db2.gz FGVINUJADVDVQD-NWDGAFQWSA-N 1 0 227.348 2.450 10 0 BEAERO CCC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195297346 169207313 /nfs/dbraw/zinc/20/73/13/169207313.db2.gz BQJDAAQJCZJNAG-OAHLLOKOSA-N 1 0 247.386 2.245 10 0 BEAERO CCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188151334 169210512 /nfs/dbraw/zinc/21/05/12/169210512.db2.gz LJBJJEFEBBCYHQ-RYUDHWBXSA-N 1 0 225.357 2.166 10 0 BEAERO c1cc(COCC2CC[NH2+]CC2)cs1 ZINC000051815090 183354447 /nfs/dbraw/zinc/35/44/47/183354447.db2.gz VJQXJRPNCUFNNK-UHFFFAOYSA-N 1 0 211.330 2.264 10 0 BEAERO c1cc(COCCC[C@H]2CCC[NH2+]C2)ccn1 ZINC000095092580 183355099 /nfs/dbraw/zinc/35/50/99/183355099.db2.gz PAKMPWHBJOXXTI-CYBMUJFWSA-N 1 0 234.343 2.378 10 0 BEAERO c1cc(COC[C@@H]2CCC[NH2+]C2)cs1 ZINC000051815506 183355455 /nfs/dbraw/zinc/35/54/55/183355455.db2.gz ICRGEXPMUDNWLA-SNVBAGLBSA-N 1 0 211.330 2.264 10 0 BEAERO c1cc(COC[C@@H]2CCCC[NH2+]2)cs1 ZINC000051816022 183355593 /nfs/dbraw/zinc/35/55/93/183355593.db2.gz IRIPPNWXDTVLSS-NSHDSACASA-N 1 0 211.330 2.407 10 0 BEAERO c1cc(N2CCCC2)ccc1NC1CC[NH2+]CC1 ZINC000038041273 183355890 /nfs/dbraw/zinc/35/58/90/183355890.db2.gz JDRHQBAMYNQCAT-UHFFFAOYSA-N 1 0 245.370 2.451 10 0 BEAERO c1cc2cnccc2c(OC2CC[NH2+]CC2)c1 ZINC000090584063 183358684 /nfs/dbraw/zinc/35/86/84/183358684.db2.gz QMYRUUZARZSSNF-UHFFFAOYSA-N 1 0 228.295 2.366 10 0 BEAERO c1cc2c(cccc2[C@H]2[NH2+]CCc3nc[nH]c32)[nH]1 ZINC000067458099 183364536 /nfs/dbraw/zinc/36/45/36/183364536.db2.gz OLWORZWXHONTQJ-CYBMUJFWSA-N 1 0 238.294 2.126 10 0 BEAERO CCC[NH2+]CC(=O)c1ccc2c(c1)OCCCO2 ZINC000049836932 169256247 /nfs/dbraw/zinc/25/62/47/169256247.db2.gz VRSZZFDHQWTEMP-UHFFFAOYSA-N 1 0 249.310 2.030 10 0 BEAERO CCC[NH2+]CCC(=O)N1c2ccccc2C[C@@H]1C ZINC000072417533 169256333 /nfs/dbraw/zinc/25/63/33/169256333.db2.gz ZSLKREJFBWVZKA-LBPRGKRZSA-N 1 0 246.354 2.354 10 0 BEAERO CCC[NH2+]CCOc1cccc(OC)c1 ZINC000020525148 169260663 /nfs/dbraw/zinc/26/06/63/169260663.db2.gz FNKCDCVBSGIZFV-UHFFFAOYSA-N 1 0 209.289 2.074 10 0 BEAERO c1cc2c(cc1C[C@@H]1CCC[NH2+]1)OCCCO2 ZINC000057522267 183369671 /nfs/dbraw/zinc/36/96/71/183369671.db2.gz DNBIYBOKHDMKNK-LBPRGKRZSA-N 1 0 233.311 2.142 10 0 BEAERO CCC[NH2+]C[C@@H](C)CN1C[C@H](C)OC(C)(C)C1 ZINC000052543407 169261011 /nfs/dbraw/zinc/26/10/11/169261011.db2.gz UAJYPWCMTIXTAQ-OLZOCXBDSA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc(OC)c(Cl)c1 ZINC000049831569 169262052 /nfs/dbraw/zinc/26/20/52/169262052.db2.gz HPLVMYNBTRZZAK-LLVKDONJSA-N 1 0 243.734 2.382 10 0 BEAERO c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)cc2c1OCC2 ZINC000061982362 183370978 /nfs/dbraw/zinc/37/09/78/183370978.db2.gz XXLJAIOPNQTTGN-ZDUSSCGKSA-N 1 0 244.338 2.270 10 0 BEAERO c1[nH]nc2cc(C[NH2+]CC3CC3)ccc12 ZINC000061669971 183375625 /nfs/dbraw/zinc/37/56/25/183375625.db2.gz YRZGAXPTXHSZKP-UHFFFAOYSA-N 1 0 201.273 2.063 10 0 BEAERO c1cc([C@@H]2[NH2+]CCS2)cc2nsnc12 ZINC000033866142 183378029 /nfs/dbraw/zinc/37/80/29/183378029.db2.gz NPNCNJNTFYNOIL-SECBINFHSA-N 1 0 223.326 2.026 10 0 BEAERO c1cc([C@H]2[NH2+]CCS2)cc2nsnc12 ZINC000033866143 183378621 /nfs/dbraw/zinc/37/86/21/183378621.db2.gz NPNCNJNTFYNOIL-VIFPVBQESA-N 1 0 223.326 2.026 10 0 BEAERO c1cc2sc([C@H]3CCC[NH2+]C3)nc2cn1 ZINC000075869727 183378721 /nfs/dbraw/zinc/37/87/21/183378721.db2.gz SIKCNOHUVNZLSA-QMMMGPOBSA-N 1 0 219.313 2.158 10 0 BEAERO c1nnc([C@@H]2CCCCC[NH2+]2)n1-c1ccccc1 ZINC000075868859 183385868 /nfs/dbraw/zinc/38/58/68/183385868.db2.gz LRSQGKGJPLWJQB-ZDUSSCGKSA-N 1 0 242.326 2.472 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CC ZINC000042579118 169247890 /nfs/dbraw/zinc/24/78/90/169247890.db2.gz LNKCTHMYKQYAMS-AVGNSLFASA-N 1 0 240.391 2.460 10 0 BEAERO c1cn(C[C@@H]2CCC[NH2+]2)c(-c2ccccc2)n1 ZINC000043496149 183383625 /nfs/dbraw/zinc/38/36/25/183383625.db2.gz MCOXMVIQCPBDFD-ZDUSSCGKSA-N 1 0 227.311 2.302 10 0 BEAERO c1cc(SC[C@H]2CCC[NH2+]C2)ccn1 ZINC000087110555 183360495 /nfs/dbraw/zinc/36/04/95/183360495.db2.gz LMXAYFIVKMVSAC-JTQLQIEISA-N 1 0 208.330 2.173 10 0 BEAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1[C@@H]1CCOC1 ZINC000112174102 169286497 /nfs/dbraw/zinc/28/64/97/169286497.db2.gz LTMKKNQXXACDKL-MCIONIFRSA-N 1 0 240.391 2.018 10 0 BEAERO c1nn(-c2ccccc2)nc1C[NH2+]C1CCCC1 ZINC000020245923 183386655 /nfs/dbraw/zinc/38/66/55/183386655.db2.gz WGXVZFVSKSCIBD-UHFFFAOYSA-N 1 0 242.326 2.300 10 0 BEAERO CCC[NH2+][C@H](C)[C@H]1COc2ccccc2O1 ZINC000005647865 169286709 /nfs/dbraw/zinc/28/67/09/169286709.db2.gz RXBKKPJEJZBXOF-ZWNOBZJWSA-N 1 0 221.300 2.215 10 0 BEAERO c1cnn(-c2ccccc2NC2CC[NH2+]CC2)c1 ZINC000038041110 183386796 /nfs/dbraw/zinc/38/67/96/183386796.db2.gz AOMMSZGKRUEVPE-UHFFFAOYSA-N 1 0 242.326 2.036 10 0 BEAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(COC)no1 ZINC000104156269 169288102 /nfs/dbraw/zinc/28/81/02/169288102.db2.gz KMZJJNAEDKVRPX-NXEZZACHSA-N 1 0 241.335 2.098 10 0 BEAERO CCC[NH2+][C@H](CC)CN(C)C[C@@H]1CCCOC1 ZINC000104196041 169288231 /nfs/dbraw/zinc/28/82/31/169288231.db2.gz QNOCXUDKORTGPN-UONOGXRCSA-N 1 0 242.407 2.123 10 0 BEAERO CCC[NH2+][C@H](CN1C[C@@H](C)CC1=O)C(C)(C)C ZINC000062816590 169288777 /nfs/dbraw/zinc/28/87/77/169288777.db2.gz NSQIOPOHZOLTBF-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO CCC[NH2+][C@H](Cc1cnn(C)c1)c1ccccn1 ZINC000050542614 169289643 /nfs/dbraw/zinc/28/96/43/169289643.db2.gz ODCUPRZSSHIPGY-CQSZACIVSA-N 1 0 244.342 2.099 10 0 BEAERO CCC[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000055028408 169263564 /nfs/dbraw/zinc/26/35/64/169263564.db2.gz UQQNDJNOGFANEZ-AWEZNQCLSA-N 1 0 219.328 2.210 10 0 BEAERO CCC[NH2+]C[C@H](O)CO[C@@H]1CCCC[C@@H]1CC ZINC000036948947 169263765 /nfs/dbraw/zinc/26/37/65/169263765.db2.gz KSDDUNYKTRCMMO-MELADBBJSA-N 1 0 243.391 2.332 10 0 BEAERO CCC[NH2+]C[C@H](C)CN1C[C@H](C)OC(C)(C)C1 ZINC000052543408 169263989 /nfs/dbraw/zinc/26/39/89/169263989.db2.gz UAJYPWCMTIXTAQ-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+]C[C@H]1CCN(Cc2ccc(C)o2)C1 ZINC000053038805 169264513 /nfs/dbraw/zinc/26/45/13/169264513.db2.gz SWFMYKOFAFGCPW-CYBMUJFWSA-N 1 0 236.359 2.410 10 0 BEAERO CCC[NH2+]C[C@H](O)c1cc(C)c(C)cc1OC ZINC000049828919 169264931 /nfs/dbraw/zinc/26/49/31/169264931.db2.gz XBGAGSQYFXUJCC-ZDUSSCGKSA-N 1 0 237.343 2.345 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc(CC)cc1 ZINC000032011794 169265016 /nfs/dbraw/zinc/26/50/16/169265016.db2.gz MMMNXJTVDZBFFW-ZDUSSCGKSA-N 1 0 207.317 2.282 10 0 BEAERO c1ccc(CCCOC[C@@H]2CCC[NH2+]2)cc1 ZINC000031840172 183392006 /nfs/dbraw/zinc/39/20/06/183392006.db2.gz UTSKVIPNGWADHQ-AWEZNQCLSA-N 1 0 219.328 2.388 10 0 BEAERO c1ccc(CCN2CC[C@@H]([NH2+]C3CCC3)C2)cc1 ZINC000052208751 183392751 /nfs/dbraw/zinc/39/27/51/183392751.db2.gz WEEYSAJFJKMKJR-MRXNPFEDSA-N 1 0 244.382 2.446 10 0 BEAERO c1ccc(CC[NH2+]CCOc2ccccn2)cc1 ZINC000057353344 183393493 /nfs/dbraw/zinc/39/34/93/183393493.db2.gz RJDMSECJCJPFMA-UHFFFAOYSA-N 1 0 242.322 2.293 10 0 BEAERO c1ccc(CC[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000044683969 183394649 /nfs/dbraw/zinc/39/46/49/183394649.db2.gz USTGAQHTSVNNHE-CQSZACIVSA-N 1 0 230.355 2.055 10 0 BEAERO CCC[NH2+]Cc1ccccc1N(CC)CCO ZINC000037900376 169268499 /nfs/dbraw/zinc/26/84/99/169268499.db2.gz BTVNHKCHCFGLFZ-UHFFFAOYSA-N 1 0 236.359 2.005 10 0 BEAERO CCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000043988084 169290377 /nfs/dbraw/zinc/29/03/77/169290377.db2.gz BHDISSCSHSIICV-RYUDHWBXSA-N 1 0 207.321 2.366 10 0 BEAERO CCC[NH2+]Cc1cnc(-c2ccccn2)nc1 ZINC000054855835 169269314 /nfs/dbraw/zinc/26/93/14/169269314.db2.gz CISIVTFDPGHFFV-UHFFFAOYSA-N 1 0 228.299 2.038 10 0 BEAERO c1ccc(CN2CCC[C@@]3(CCC[NH2+]C3)C2)nc1 ZINC000031994640 183398858 /nfs/dbraw/zinc/39/88/58/183398858.db2.gz OEGGOXAWCOEGIB-OAHLLOKOSA-N 1 0 245.370 2.047 10 0 BEAERO CCC[NH2+][C@@H](C)CN(CC1CC1)C(C)C ZINC000043975141 169275183 /nfs/dbraw/zinc/27/51/83/169275183.db2.gz XWCPGKBVKMOHOP-LBPRGKRZSA-N 1 0 212.381 2.495 10 0 BEAERO CCC[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000035229493 169276557 /nfs/dbraw/zinc/27/65/57/169276557.db2.gz WUWQKBDQRGLKSY-JTQLQIEISA-N 1 0 222.336 2.065 10 0 BEAERO CCC[NH2+][C@@H](Cc1ccncc1)[C@H]1CCOC1 ZINC000104105439 169279412 /nfs/dbraw/zinc/27/94/12/169279412.db2.gz AMKWOZWQWINNHM-KBPBESRZSA-N 1 0 234.343 2.029 10 0 BEAERO CCC[NH2+][C@@H](c1cncnc1)c1ncccc1C ZINC000052887411 169280195 /nfs/dbraw/zinc/28/01/95/169280195.db2.gz JGUMFEPCXPUWMG-AWEZNQCLSA-N 1 0 242.326 2.269 10 0 BEAERO CCC[NH2+][C@@H](c1ccc(C)o1)[C@H]1COCCO1 ZINC000055301198 169280446 /nfs/dbraw/zinc/28/04/46/169280446.db2.gz LFXRCIRQDGFWAU-OLZOCXBDSA-N 1 0 239.315 2.044 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2ccccc2C)C1=O ZINC000049648847 169281875 /nfs/dbraw/zinc/28/18/75/169281875.db2.gz VEUJYBMXUIDODV-CQSZACIVSA-N 1 0 246.354 2.096 10 0 BEAERO CCC[NH2+][C@@H]1CCCc2nc(C)ncc21 ZINC000050100982 169282335 /nfs/dbraw/zinc/28/23/35/169282335.db2.gz QDTKEBKXKDAWNP-LLVKDONJSA-N 1 0 205.305 2.162 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cccc(COC)c2)C1 ZINC000049508969 169282874 /nfs/dbraw/zinc/28/28/74/169282874.db2.gz DTLYDDUSRBCGIW-CQSZACIVSA-N 1 0 248.370 2.411 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@@H]2CCC[C@H](C)C2)C1=O ZINC000049648069 169283214 /nfs/dbraw/zinc/28/32/14/169283214.db2.gz NQCWCFSBTPSQFG-YNEHKIRRSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@@H](C)C(CC)CC)C1=O ZINC000070976967 169283451 /nfs/dbraw/zinc/28/34/51/169283451.db2.gz BMPGZGQTNLVVLJ-WCQYABFASA-N 1 0 240.391 2.412 10 0 BEAERO c1ccc([C@@H](C[NH2+]C2CC2)O[C@@H]2CCOC2)cc1 ZINC000104110637 183423787 /nfs/dbraw/zinc/42/37/87/183423787.db2.gz WRMLZDXISXIXBA-HUUCEWRRSA-N 1 0 247.338 2.285 10 0 BEAERO CCCOC[C@H]([NH3+])Cc1cc(C)ccc1OC ZINC000050707008 169310208 /nfs/dbraw/zinc/31/02/08/169310208.db2.gz QZTOOSWDEIYBGY-CYBMUJFWSA-N 1 0 237.343 2.300 10 0 BEAERO CCCO[C@@H]1CCCN(C[C@](C)([NH3+])C2CC2)C1 ZINC000042425516 169311610 /nfs/dbraw/zinc/31/16/10/169311610.db2.gz NFSVTHFUISPVJB-KGLIPLIRSA-N 1 0 240.391 2.005 10 0 BEAERO CCCO[C@@H]1CCCN([C@@H](C[NH3+])C(C)(C)C)C1 ZINC000042421212 169311657 /nfs/dbraw/zinc/31/16/57/169311657.db2.gz WIYDMHZYVKKZKO-OLZOCXBDSA-N 1 0 242.407 2.251 10 0 BEAERO CCCO[C@H]1CCC[N@@H+]([C@@H](CN)[C@@H](C)CC)C1 ZINC000042421153 169312661 /nfs/dbraw/zinc/31/26/61/169312661.db2.gz UVGZPGBCGJOPQS-IHRRRGAJSA-N 1 0 242.407 2.251 10 0 BEAERO CCCO[C@H]1CCCN([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000042421905 169312884 /nfs/dbraw/zinc/31/28/84/169312884.db2.gz FKTDTYVEWWPDFK-MELADBBJSA-N 1 0 240.391 2.147 10 0 BEAERO CCCO[C@H]1CCCN(C[C@H]([NH3+])C(C)(C)C)C1 ZINC000042421869 169312974 /nfs/dbraw/zinc/31/29/74/169312974.db2.gz KYXCSTZEJZLOIN-STQMWFEESA-N 1 0 242.407 2.251 10 0 BEAERO CCCOc1ccc(-c2c[nH]c(CC[NH3+])n2)cc1 ZINC000036876282 169316222 /nfs/dbraw/zinc/31/62/22/169316222.db2.gz HJSVGGXKJBJAPW-UHFFFAOYSA-N 1 0 245.326 2.367 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cccc(C)c2C)C1=O ZINC000049647808 169291597 /nfs/dbraw/zinc/29/15/97/169291597.db2.gz MGTBJKBCKFTRBV-ZDUSSCGKSA-N 1 0 246.354 2.408 10 0 BEAERO CCC[NH2+][C@H]1CCN(Cc2cccnc2)C[C@@H]1C ZINC000049712448 169291618 /nfs/dbraw/zinc/29/16/18/169291618.db2.gz JJISCRYVMPDVFM-ZFWWWQNUSA-N 1 0 247.386 2.292 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccccc2CC)C1=O ZINC000049647630 169291715 /nfs/dbraw/zinc/29/17/15/169291715.db2.gz BECKOOXJKMFYCF-ZDUSSCGKSA-N 1 0 246.354 2.354 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccccc2COC)C1 ZINC000049508995 169291840 /nfs/dbraw/zinc/29/18/40/169291840.db2.gz LGCCGYVJXJTQMK-AWEZNQCLSA-N 1 0 248.370 2.411 10 0 BEAERO CCC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1=O ZINC000049647588 169291868 /nfs/dbraw/zinc/29/18/68/169291868.db2.gz HABCACJIOVGOIP-OCCSQVGLSA-N 1 0 246.354 2.348 10 0 BEAERO CCCNc1cc(C[N@@H+]2CCCOCC2)ccn1 ZINC000061933868 169293367 /nfs/dbraw/zinc/29/33/67/169293367.db2.gz HHXQIKVIJQRUDZ-UHFFFAOYSA-N 1 0 249.358 2.126 10 0 BEAERO CCCNc1cc(C)[nH+]c(N2CCCC2)n1 ZINC000050849147 169293459 /nfs/dbraw/zinc/29/34/59/169293459.db2.gz CRLJZDZFSUGAHR-UHFFFAOYSA-N 1 0 220.320 2.207 10 0 BEAERO CCCOC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000033607277 169297784 /nfs/dbraw/zinc/29/77/84/169297784.db2.gz UGQSPUCEBMVHDO-UHFFFAOYSA-N 1 0 247.338 2.261 10 0 BEAERO CCCOc1ccc([C@@H](C[NH3+])OC)cc1 ZINC000071511766 169320979 /nfs/dbraw/zinc/32/09/79/169320979.db2.gz VKIDEOFPUTUEAI-GFCCVEGCSA-N 1 0 209.289 2.122 10 0 BEAERO c1ccc2nc(SC3CC[NH2+]CC3)cnc2c1 ZINC000020274760 183460107 /nfs/dbraw/zinc/46/01/07/183460107.db2.gz ILYAEBFKAGMMGL-UHFFFAOYSA-N 1 0 245.351 2.474 10 0 BEAERO CCCOc1ccc([C@@H](O)C[NH2+]CC)cc1 ZINC000032014619 169321675 /nfs/dbraw/zinc/32/16/75/169321675.db2.gz ADOFKFYICODNBJ-ZDUSSCGKSA-N 1 0 223.316 2.118 10 0 BEAERO CCCOc1ccc([C@H]([NH3+])Cn2ccnc2)cc1 ZINC000022563726 169322145 /nfs/dbraw/zinc/32/21/45/169322145.db2.gz DZGLKLWFIMBQGG-CQSZACIVSA-N 1 0 245.326 2.372 10 0 BEAERO CCCOc1ccc2c(c1)[C@H]([NH3+])[C@H](C)O2 ZINC000043634436 169323121 /nfs/dbraw/zinc/32/31/21/169323121.db2.gz XEPCSDIGGSISEX-QPUJVOFHSA-N 1 0 207.273 2.256 10 0 BEAERO CCCOc1ccc2c(c1)[C@@H]([NH2+]C)CO2 ZINC000035654162 169323240 /nfs/dbraw/zinc/32/32/40/169323240.db2.gz SVAXEUPJAMQWHV-NSHDSACASA-N 1 0 207.273 2.128 10 0 BEAERO CCCOc1cccc([C@H](C[NH3+])NC2CC2)c1 ZINC000052921297 169325666 /nfs/dbraw/zinc/32/56/66/169325666.db2.gz LRVYMEFATFMUQP-AWEZNQCLSA-N 1 0 234.343 2.227 10 0 BEAERO CCCOc1cccc2c1O[C@@H](C)[C@H]2[NH3+] ZINC000043635045 169326863 /nfs/dbraw/zinc/32/68/63/169326863.db2.gz VLOVKLORUIHLOS-GZMMTYOYSA-N 1 0 207.273 2.256 10 0 BEAERO CCCOc1ccccc1[C@@H](O)C[NH2+]CC ZINC000032014623 169327532 /nfs/dbraw/zinc/32/75/32/169327532.db2.gz ZRSIQSRBHXKSGV-LBPRGKRZSA-N 1 0 223.316 2.118 10 0 BEAERO CCCOc1ccccc1NC(=O)[C@@H](C)[NH2+]C ZINC000054073229 169327662 /nfs/dbraw/zinc/32/76/62/169327662.db2.gz RUBJSFJTIFMPSY-SNVBAGLBSA-N 1 0 236.315 2.022 10 0 BEAERO CCCOc1ccccc1[C@H](O)CC[NH+](C)C ZINC000041629396 169328131 /nfs/dbraw/zinc/32/81/31/169328131.db2.gz JJLMIKCRESNBSK-CYBMUJFWSA-N 1 0 237.343 2.461 10 0 BEAERO c1c2cccnc2[nH]c1[C@H]1CCCC[NH2+]1 ZINC000082913023 183484529 /nfs/dbraw/zinc/48/45/29/183484529.db2.gz GJJKWEXNFKYXGR-SNVBAGLBSA-N 1 0 201.273 2.378 10 0 BEAERO c1cnc2c(c1)cccc2OC[C@@H]1CCC[NH2+]1 ZINC000041249941 183485826 /nfs/dbraw/zinc/48/58/26/183485826.db2.gz RSOPIIBDBDFSTM-LBPRGKRZSA-N 1 0 228.295 2.366 10 0 BEAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339513769 169368725 /nfs/dbraw/zinc/36/87/25/169368725.db2.gz VQUVZDXHZVMHJJ-NEPJUHHUSA-N 1 0 240.391 2.458 10 0 BEAERO c1sc(C[C@@H]2CCC[NH2+]2)nc1-c1cccnc1 ZINC000053252715 183487902 /nfs/dbraw/zinc/48/79/02/183487902.db2.gz UZHLBUSPSZBEGH-NSHDSACASA-N 1 0 245.351 2.500 10 0 BEAERO CCC[C@@H](C(=O)N[C@@H](C)CC(C)C)[NH+](C)C ZINC000120315471 169345016 /nfs/dbraw/zinc/34/50/16/169345016.db2.gz JJDQVGWJFLGDFT-RYUDHWBXSA-N 1 0 228.380 2.268 10 0 BEAERO CCC[C@@H](C)C(=O)N[C@@H](C[NH3+])Cc1ccccc1 ZINC000104325760 169352320 /nfs/dbraw/zinc/35/23/20/169352320.db2.gz WRYVKQIKBAGMFI-TZMCWYRMSA-N 1 0 248.370 2.109 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCCn1ccnc1 ZINC000020506106 169359194 /nfs/dbraw/zinc/35/91/94/169359194.db2.gz YLMRXAARBKBCGV-GFCCVEGCSA-N 1 0 209.337 2.299 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H]1CCc2nccn2C1 ZINC000310019153 169361152 /nfs/dbraw/zinc/36/11/52/169361152.db2.gz MJCLAZKNDWXOOD-NEPJUHHUSA-N 1 0 221.348 2.224 10 0 BEAERO CCC[C@@H](CN(C)CC1CCOCC1)[NH2+]CC ZINC000104190241 169382925 /nfs/dbraw/zinc/38/29/25/169382925.db2.gz JFVCKAIANCHFFM-AWEZNQCLSA-N 1 0 242.407 2.123 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(C)c1 ZINC000049532017 169392128 /nfs/dbraw/zinc/39/21/28/169392128.db2.gz WUORBUJKJVWWMK-LLVKDONJSA-N 1 0 236.315 2.070 10 0 BEAERO CCC[C@@H]([NH3+])c1noc(-c2ccoc2C)n1 ZINC000041052564 169394537 /nfs/dbraw/zinc/39/45/37/169394537.db2.gz MUOGVUXVAAUVQL-SECBINFHSA-N 1 0 221.260 2.438 10 0 BEAERO CCC[C@@H]([NH3+])Cc1nc2ccccc2o1 ZINC000020427888 169393326 /nfs/dbraw/zinc/39/33/26/169393326.db2.gz XNIZRFLBOXHQMR-SECBINFHSA-N 1 0 204.273 2.498 10 0 BEAERO CCC[C@@H]([NH3+])c1cnc2cc(C)ccn21 ZINC000031911555 169393633 /nfs/dbraw/zinc/39/36/33/169393633.db2.gz URRWTLRBKWULMA-SNVBAGLBSA-N 1 0 203.289 2.443 10 0 BEAERO FC(F)(F)CN1CCC[N@@H+](C2CCC2)CC1 ZINC000179556674 134321843 /nfs/dbraw/zinc/32/18/43/134321843.db2.gz HZPFTOPLVDKALM-UHFFFAOYSA-N 1 0 236.281 2.109 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](COC)OC ZINC000336671643 169419272 /nfs/dbraw/zinc/41/92/72/169419272.db2.gz APKPYZWGRGFIHF-JHJVBQTASA-N 1 0 229.364 2.206 10 0 BEAERO CCC1(C)CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085375047 134343589 /nfs/dbraw/zinc/34/35/89/134343589.db2.gz PCXHBKDMEWKUAP-RYUDHWBXSA-N 1 0 238.375 2.153 10 0 BEAERO CCC[C@H](C)C[NH2+]Cc1cnn(C)c1C ZINC000133563094 169482214 /nfs/dbraw/zinc/48/22/14/169482214.db2.gz PYSQHHOGZPBWFY-JTQLQIEISA-N 1 0 209.337 2.254 10 0 BEAERO CCC[C@H]([NH2+]C)c1ccc2[nH]c(=O)oc2c1 ZINC000035500626 169509553 /nfs/dbraw/zinc/50/95/53/169509553.db2.gz QHLHUHKGPYNLLX-VIFPVBQESA-N 1 0 220.272 2.182 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1CCSC1 ZINC000224427482 134347154 /nfs/dbraw/zinc/34/71/54/134347154.db2.gz UDDHEENFTIDDPP-CMPLNLGQSA-N 1 0 235.352 2.463 10 0 BEAERO CC1(C)C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224729602 134350094 /nfs/dbraw/zinc/35/00/94/134350094.db2.gz ICTSTSZCNKMTSM-KXNHARMFSA-N 1 0 223.360 2.436 10 0 BEAERO CCCc1ccc(CCOCC[NH3+])cc1 ZINC000057938699 169570331 /nfs/dbraw/zinc/57/03/31/169570331.db2.gz ACOGJFJHVRASPC-UHFFFAOYSA-N 1 0 207.317 2.157 10 0 BEAERO CCCc1ccc([C@@H](CCO)[NH2+]C)cc1 ZINC000071510700 169573264 /nfs/dbraw/zinc/57/32/64/169573264.db2.gz OMULVGGHPKQYRM-CYBMUJFWSA-N 1 0 207.317 2.282 10 0 BEAERO CCCc1ccccc1N1CCC[NH2+]CC1 ZINC000049660658 169577495 /nfs/dbraw/zinc/57/74/95/169577495.db2.gz LLMJVXARGKAOGC-UHFFFAOYSA-N 1 0 218.344 2.439 10 0 BEAERO CCCn1cc([C@H]2CCC[C@@H]2[NH2+]C)cn1 ZINC000060716077 169620533 /nfs/dbraw/zinc/62/05/33/169620533.db2.gz KJTXJZZLIWPJIS-NEPJUHHUSA-N 1 0 207.321 2.149 10 0 BEAERO CCN(C(=O)C(C)(C)CC)[C@@H]1CCC[NH2+]C1 ZINC000054402045 169630030 /nfs/dbraw/zinc/63/00/30/169630030.db2.gz KWAJJNUZTCXYSK-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CCN(C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)C1CCCC1 ZINC000035773152 169650113 /nfs/dbraw/zinc/65/01/13/169650113.db2.gz SBBIDGVROIUGMF-VXGBXAGGSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CCS1 ZINC000184654259 134367410 /nfs/dbraw/zinc/36/74/10/134367410.db2.gz SZBPRGUNXHMUMZ-QWRGUYRKSA-N 1 0 229.389 2.381 10 0 BEAERO CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051990295 383820534 /nfs/dbraw/zinc/82/05/34/383820534.db2.gz QMUSZOMMXCMXCW-ZIAGYGMSSA-N 1 0 249.354 2.478 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@]2(C)CCCS2)CCC1=O ZINC000227394248 383855926 /nfs/dbraw/zinc/85/59/26/383855926.db2.gz UEIWRTJUEKZBSP-ZYHUDNBSSA-N 1 0 227.373 2.183 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCOC1)c1c(C)noc1C ZINC000131559648 383834320 /nfs/dbraw/zinc/83/43/20/383834320.db2.gz LSMILFBMAWTRQK-GHMZBOCLSA-N 1 0 224.304 2.121 10 0 BEAERO C[C@@H]([NH3+])c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000036872272 383918022 /nfs/dbraw/zinc/91/80/22/383918022.db2.gz BZQHDPSKUBNQPA-SSDOTTSWSA-N 1 0 205.236 2.236 10 0 BEAERO CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)C(C)(C)C ZINC000348157502 383918348 /nfs/dbraw/zinc/91/83/48/383918348.db2.gz GAOUBLFECPNOQA-TUAOUCFPSA-N 1 0 211.349 2.338 10 0 BEAERO c1ccc(SCC[NH2+]Cc2cncnc2)cc1 ZINC000054768008 383978428 /nfs/dbraw/zinc/97/84/28/383978428.db2.gz MMYGCDMKPQQFNA-UHFFFAOYSA-N 1 0 245.351 2.359 10 0 BEAERO [NH3+]CCc1c(Cl)ccc2cccnc21 ZINC000068590172 383999368 /nfs/dbraw/zinc/99/93/68/383999368.db2.gz YSUDSCLNZTWERZ-UHFFFAOYSA-N 1 0 206.676 2.389 10 0 BEAERO [NH3+][C@H](COC(F)(F)F)c1cccc(F)c1 ZINC000068576543 383999564 /nfs/dbraw/zinc/99/95/64/383999564.db2.gz NVOWTQXNDDDMJM-MRVPVSSYSA-N 1 0 223.169 2.362 10 0 BEAERO CCOc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000089164483 383938652 /nfs/dbraw/zinc/93/86/52/383938652.db2.gz KPXMGTYTJNMAAO-UKRRQHHQSA-N 1 0 249.354 2.336 10 0 BEAERO C[N@H+]1CC=C(c2cccc3n[nH]cc32)CC1 ZINC000089196275 383941702 /nfs/dbraw/zinc/94/17/02/383941702.db2.gz AUJWWTWLBZBHSC-UHFFFAOYSA-N 1 0 213.284 2.282 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000112716255 383945277 /nfs/dbraw/zinc/94/52/77/383945277.db2.gz SPBNHORPDAZLCM-NSHDSACASA-N 1 0 243.310 2.341 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000227573824 134385818 /nfs/dbraw/zinc/38/58/18/134385818.db2.gz DIPSMBQTBWQNLS-JTQLQIEISA-N 1 0 241.281 2.169 10 0 BEAERO CN(C)CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037184147 383954647 /nfs/dbraw/zinc/95/46/47/383954647.db2.gz MHIQEMLFWOHRHG-CQSZACIVSA-N 1 0 236.334 2.428 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C)cc1C ZINC000037225329 383962955 /nfs/dbraw/zinc/96/29/55/383962955.db2.gz YFTXAUKSBUXFBM-LBPRGKRZSA-N 1 0 234.343 2.042 10 0 BEAERO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(Cl)cc1 ZINC000003604765 384020759 /nfs/dbraw/zinc/02/07/59/384020759.db2.gz LKRMGIFWZXHLGL-GZMMTYOYSA-N 1 0 211.692 2.389 10 0 BEAERO O=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000307440815 384048305 /nfs/dbraw/zinc/04/83/05/384048305.db2.gz YGELJXVRTABJTD-UHFFFAOYSA-N 1 0 215.296 2.384 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000278661155 384071909 /nfs/dbraw/zinc/07/19/09/384071909.db2.gz NHUXRFAOUUZMTI-KCJUWKMLSA-N 1 0 217.272 2.168 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@H]1CCC[NH3+] ZINC000070162422 384082545 /nfs/dbraw/zinc/08/25/45/384082545.db2.gz IMARJCJANVNDAM-SNVBAGLBSA-N 1 0 228.336 2.125 10 0 BEAERO C[C@H](NC1=[NH+]C[C@@H](C)S1)c1ccco1 ZINC000035739654 384099840 /nfs/dbraw/zinc/09/98/40/384099840.db2.gz YCWMCJFUFYANFM-SFYZADRCSA-N 1 0 210.302 2.422 10 0 BEAERO [NH3+]Cc1cccc(Oc2ccncc2)c1 ZINC000039090714 384100903 /nfs/dbraw/zinc/10/09/03/384100903.db2.gz HEZVDGSFVTWEBA-UHFFFAOYSA-N 1 0 200.241 2.333 10 0 BEAERO [NH3+]Cc1ccc(Oc2ccncc2)cc1 ZINC000039090715 384101063 /nfs/dbraw/zinc/10/10/63/384101063.db2.gz XDERPEULXRRDMZ-UHFFFAOYSA-N 1 0 200.241 2.333 10 0 BEAERO [NH3+][C@@H]1C[C@H](c2cccs2)Cc2n[nH]cc21 ZINC000072415354 384104616 /nfs/dbraw/zinc/10/46/16/384104616.db2.gz NRXCZTPMPAMYIH-IONNQARKSA-N 1 0 219.313 2.201 10 0 BEAERO [NH3+][C@@H]1C[C@H](c2ccc(F)cc2)Cc2n[nH]cc21 ZINC000072415358 384104681 /nfs/dbraw/zinc/10/46/81/384104681.db2.gz YXDFUYXDGFMFOH-JOYOIKCWSA-N 1 0 231.274 2.279 10 0 BEAERO [NH3+][C@H]1C[C@H](c2cccs2)Cc2n[nH]cc21 ZINC000072415356 384104800 /nfs/dbraw/zinc/10/48/00/384104800.db2.gz NRXCZTPMPAMYIH-CBAPKCEASA-N 1 0 219.313 2.201 10 0 BEAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@@H](c1ccco1)C2 ZINC000072415384 384104817 /nfs/dbraw/zinc/10/48/17/384104817.db2.gz YUFCHQPSQKHWGW-BDAKNGLRSA-N 1 0 217.272 2.041 10 0 BEAERO C[NH+](C)C[C@@H]1c2cc(O)ccc2OC1(C)C ZINC000039110386 384107015 /nfs/dbraw/zinc/10/70/15/384107015.db2.gz CIGNZTOIDUDWON-LLVKDONJSA-N 1 0 221.300 2.208 10 0 BEAERO Cn1ncc2c1C[C@H](c1ccccc1)C[C@H]2[NH3+] ZINC000072415872 384108505 /nfs/dbraw/zinc/10/85/05/384108505.db2.gz COLBHMINQPMZHA-DGCLKSJQSA-N 1 0 227.311 2.150 10 0 BEAERO Cc1cccc([C@@H]2Cc3c(cnn3C)[C@@H]([NH3+])C2)c1 ZINC000072415862 384109221 /nfs/dbraw/zinc/10/92/21/384109221.db2.gz YZYAJNXRNXDIMZ-JSGCOSHPSA-N 1 0 241.338 2.458 10 0 BEAERO Cn1cccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070528251 384117630 /nfs/dbraw/zinc/11/76/30/384117630.db2.gz OUSABQAKKKXWGP-CYBMUJFWSA-N 1 0 228.295 2.248 10 0 BEAERO C[NH+](C)CCCOc1cc(Cl)ccn1 ZINC000091364426 384120785 /nfs/dbraw/zinc/12/07/85/384120785.db2.gz LKYWGQGUCZDJNO-UHFFFAOYSA-N 1 0 214.696 2.066 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ccnc(C(F)(F)F)c1 ZINC000310297826 384124385 /nfs/dbraw/zinc/12/43/85/384124385.db2.gz MPCGVOLQZILFKT-VIFPVBQESA-N 1 0 247.264 2.496 10 0 BEAERO CCCn1cc(C[NH2+]CCc2ccco2)cn1 ZINC000116912302 384157077 /nfs/dbraw/zinc/15/70/77/384157077.db2.gz ZNTWNGJIFFVHLF-UHFFFAOYSA-N 1 0 233.315 2.218 10 0 BEAERO CC1(C)SC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000309754873 384171551 /nfs/dbraw/zinc/17/15/51/384171551.db2.gz HJFAZQBRCUFAIE-MWLCHTKSSA-N 1 0 237.372 2.271 10 0 BEAERO C(C1CCC1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000173541123 384237393 /nfs/dbraw/zinc/23/73/93/384237393.db2.gz LZMISTWZBJSQOV-CHWSQXEVSA-N 1 0 209.333 2.430 10 0 BEAERO C(C1CCC1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000173541133 384238569 /nfs/dbraw/zinc/23/85/69/384238569.db2.gz LZMISTWZBJSQOV-OLZOCXBDSA-N 1 0 209.333 2.430 10 0 BEAERO COc1ccc(CNc2[nH+]ccn2C)cc1 ZINC000008699737 384209549 /nfs/dbraw/zinc/20/95/49/384209549.db2.gz ZUSXWMUDJSNGAD-UHFFFAOYSA-N 1 0 217.272 2.041 10 0 BEAERO CC[C@H]([NH2+][C@H]1CN(CC)C[C@H]1C)C(C)C ZINC000336773676 384271061 /nfs/dbraw/zinc/27/10/61/384271061.db2.gz ZAGDBLKGDPCSDG-AGIUHOORSA-N 1 0 212.381 2.351 10 0 BEAERO CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944235 384276067 /nfs/dbraw/zinc/27/60/67/384276067.db2.gz AJTJPCLJSALYBS-AXFHLTTASA-N 1 0 211.349 2.436 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000119933008 384317546 /nfs/dbraw/zinc/31/75/46/384317546.db2.gz QNQLIGWSIBXMCF-CFVMTHIKSA-N 1 0 248.370 2.056 10 0 BEAERO Cc1ncsc1C[N@@H+]1CCC[C@H]1CCCO ZINC000092785342 384321182 /nfs/dbraw/zinc/32/11/82/384321182.db2.gz XAOOURSIFJLMNX-NSHDSACASA-N 1 0 240.372 2.188 10 0 BEAERO CCSCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000300045859 384284742 /nfs/dbraw/zinc/28/47/42/384284742.db2.gz AVRJUHZSLKBSMX-OLZOCXBDSA-N 1 0 242.432 2.298 10 0 BEAERO c1ccc2[nH]c(NC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000044493249 384335787 /nfs/dbraw/zinc/33/57/87/384335787.db2.gz RJBQNMHNZSNUHK-SNVBAGLBSA-N 1 0 230.315 2.117 10 0 BEAERO CCC[C@H](C(=O)N1CCC[C@H](C)CC1)[NH+](C)C ZINC000179700017 384336406 /nfs/dbraw/zinc/33/64/06/384336406.db2.gz GSQHHVOVLJWHCE-QWHCGFSZSA-N 1 0 240.391 2.365 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000134172931 384336637 /nfs/dbraw/zinc/33/66/37/384336637.db2.gz YABKHABTKUMMPW-DCAQKATOSA-N 1 0 225.307 2.493 10 0 BEAERO Clc1nccc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070342 384336757 /nfs/dbraw/zinc/33/67/57/384336757.db2.gz LZUOEBZTOIYRON-VIFPVBQESA-N 1 0 241.722 2.041 10 0 BEAERO Clc1nccc(SC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070179 384336854 /nfs/dbraw/zinc/33/68/54/384336854.db2.gz HYYISWWZPLFDFO-QMMMGPOBSA-N 1 0 243.763 2.364 10 0 BEAERO Clc1ncc(COC[C@@H]2CCCC[NH2+]2)s1 ZINC000095070211 384337183 /nfs/dbraw/zinc/33/71/83/384337183.db2.gz RGOBALMNFSDGRL-QMMMGPOBSA-N 1 0 246.763 2.455 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1NCc1cnc(Cl)s1 ZINC000095072295 384343362 /nfs/dbraw/zinc/34/33/62/384343362.db2.gz FGJWOBDSUVQGJH-DTWKUNHWSA-N 1 0 245.779 2.156 10 0 BEAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccccc1C ZINC000095075924 384349565 /nfs/dbraw/zinc/34/95/65/384349565.db2.gz PBCIAJBUGTVQTF-ZIAGYGMSSA-N 1 0 219.328 2.162 10 0 BEAERO c1[nH+]c(Nc2ccccc2)n2ccncc12 ZINC000013283496 384352095 /nfs/dbraw/zinc/35/20/95/384352095.db2.gz ZTPYWJNMHMGACM-UHFFFAOYSA-N 1 0 210.240 2.473 10 0 BEAERO c1ccc(OCCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095092512 384363180 /nfs/dbraw/zinc/36/31/80/384363180.db2.gz QNIQGYIGCODWIU-LBPRGKRZSA-N 1 0 220.316 2.383 10 0 BEAERO c1csc(OCCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095092529 384363745 /nfs/dbraw/zinc/36/37/45/384363745.db2.gz LUEPWXRFFHZPKZ-JTQLQIEISA-N 1 0 226.345 2.302 10 0 BEAERO [NH3+][C@H]1CCCc2c(OCC(F)(F)F)ccnc21 ZINC000095221075 384369629 /nfs/dbraw/zinc/36/96/29/384369629.db2.gz ARVDHHVVRDCQQJ-QMMMGPOBSA-N 1 0 246.232 2.359 10 0 BEAERO c1ccc2c(c1)snc2N[C@@H]1CCC[NH2+]C1 ZINC000095068064 384330857 /nfs/dbraw/zinc/33/08/57/384330857.db2.gz UWDBOEWWVYTFGJ-SECBINFHSA-N 1 0 233.340 2.460 10 0 BEAERO Cc1ccc(S[C@H]2CCC[NH2+]C2)nc1 ZINC000095069146 384332225 /nfs/dbraw/zinc/33/22/25/384332225.db2.gz HTWRYHJZLXYMEI-JTQLQIEISA-N 1 0 208.330 2.234 10 0 BEAERO Cc1ccc(SCC2CC[NH2+]CC2)nc1 ZINC000095069166 384332773 /nfs/dbraw/zinc/33/27/73/384332773.db2.gz USJPLBUXDUSKAI-UHFFFAOYSA-N 1 0 222.357 2.482 10 0 BEAERO Cc1ccnc(SCC2CC[NH2+]CC2)c1 ZINC000095069311 384332910 /nfs/dbraw/zinc/33/29/10/384332910.db2.gz VPKRRNYHXXIZNX-UHFFFAOYSA-N 1 0 222.357 2.482 10 0 BEAERO C[C@H](C1CC1)[N@H+](C[C@H](O)C(F)(F)F)C1CC1 ZINC000121049658 384395424 /nfs/dbraw/zinc/39/54/24/384395424.db2.gz UHOOZJZYNQUKNT-XCBNKYQSSA-N 1 0 237.265 2.173 10 0 BEAERO CCC[C@@H]([NH2+]CC[C@@H](C)O)c1cccnc1 ZINC000134921054 384399766 /nfs/dbraw/zinc/39/97/66/384399766.db2.gz ZFSOPYVIZKZGME-DGCLKSJQSA-N 1 0 222.332 2.283 10 0 BEAERO CC[N@H+](CCc1nccs1)[C@H](C)COC ZINC000121194472 384400686 /nfs/dbraw/zinc/40/06/86/384400686.db2.gz WNXIGOVJZSEHAK-SNVBAGLBSA-N 1 0 228.361 2.042 10 0 BEAERO COC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000077358937 384405446 /nfs/dbraw/zinc/40/54/46/384405446.db2.gz OXIKOZKITYOZAS-SECBINFHSA-N 1 0 230.105 2.095 10 0 BEAERO CC[C@@H](CO)[NH2+]Cc1cn(C)c2ccccc12 ZINC000045944982 384415337 /nfs/dbraw/zinc/41/53/37/384415337.db2.gz FSRPMYWFZWXVTN-LBPRGKRZSA-N 1 0 232.327 2.039 10 0 BEAERO [NH3+]C[C@H](O)c1cccc(-c2ccccc2)c1 ZINC000028226764 384380071 /nfs/dbraw/zinc/38/00/71/384380071.db2.gz VDMYUTFXPIQXBN-AWEZNQCLSA-N 1 0 213.280 2.346 10 0 BEAERO CC1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000084224263 384380841 /nfs/dbraw/zinc/38/08/41/384380841.db2.gz WILMOYXGSMYGRW-MVKMKZAISA-N 1 0 211.349 2.316 10 0 BEAERO CCC1(CC)CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000095642299 384385839 /nfs/dbraw/zinc/38/58/39/384385839.db2.gz KONYVZVKQLDQCF-UHFFFAOYSA-N 1 0 242.363 2.386 10 0 BEAERO c1cn2c(n1)CC[C@H](C[NH2+]C[C@H]1CC=CCC1)C2 ZINC000275507414 384385829 /nfs/dbraw/zinc/38/58/29/384385829.db2.gz KCESEVGRFPUTBG-UONOGXRCSA-N 1 0 245.370 2.391 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccncc1 ZINC000160984363 384452659 /nfs/dbraw/zinc/45/26/59/384452659.db2.gz BYSIZXZXWFNVKT-IACUBPJLSA-N 1 0 234.343 2.426 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccn1 ZINC000160852907 384439977 /nfs/dbraw/zinc/43/99/77/384439977.db2.gz YJMKRUFZKGKVOS-MRVWCRGKSA-N 1 0 234.343 2.426 10 0 BEAERO CC[C@H]1C[N@@H+](C2CCC(=O)CC2)CCS1 ZINC000157264429 384462939 /nfs/dbraw/zinc/46/29/39/384462939.db2.gz CRKJVPZAJOLWJB-LBPRGKRZSA-N 1 0 227.373 2.326 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174858 384468617 /nfs/dbraw/zinc/46/86/17/384468617.db2.gz PEYDPFWKSMMXOP-QWRGUYRKSA-N 1 0 233.302 2.457 10 0 BEAERO Cn1nccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000047892341 384471091 /nfs/dbraw/zinc/47/10/91/384471091.db2.gz JGUYFJCNFIFXJM-CQSZACIVSA-N 1 0 241.338 2.067 10 0 BEAERO C[C@@H](CCO)C[NH2+]CC1CCC(C)CC1 ZINC000085127422 384493202 /nfs/dbraw/zinc/49/32/02/384493202.db2.gz DTQWASDSAFKDKJ-CPCZMJQVSA-N 1 0 213.365 2.421 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(O)c(Cl)c1 ZINC000054929224 384513552 /nfs/dbraw/zinc/51/35/52/384513552.db2.gz SOBRQEGEWJNKPJ-ZYHUDNBSSA-N 1 0 243.734 2.452 10 0 BEAERO CC(C)[C@H](C)CC(=O)NC1CCC([NH3+])CC1 ZINC000236630548 384543581 /nfs/dbraw/zinc/54/35/81/384543581.db2.gz LCLKFOUBJVUECY-VOMCLLRMSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000334745682 384560028 /nfs/dbraw/zinc/56/00/28/384560028.db2.gz IZXDTRCVQWYKAA-MWLCHTKSSA-N 1 0 241.281 2.168 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000052395904 384538776 /nfs/dbraw/zinc/53/87/76/384538776.db2.gz XGXCTSNPTUBJFV-ZJUUUORDSA-N 1 0 238.356 2.020 10 0 BEAERO CCN(CC)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000097922851 384579570 /nfs/dbraw/zinc/57/95/70/384579570.db2.gz LEEFKJRJKNAPOA-YNEHKIRRSA-N 1 0 210.365 2.106 10 0 BEAERO Cc1ccc(CC[NH3+])cc1Br ZINC000057939270 384584049 /nfs/dbraw/zinc/58/40/49/384584049.db2.gz WMUJRNMZYNPMFK-UHFFFAOYSA-N 1 0 214.106 2.259 10 0 BEAERO CC[N@H+](CCc1nccs1)C[C@](C)(O)CC ZINC000162058814 384565403 /nfs/dbraw/zinc/56/54/03/384565403.db2.gz VPEQCEFWIODRLJ-GFCCVEGCSA-N 1 0 242.388 2.169 10 0 BEAERO CC(C)([NH3+])c1cn(CCC(C)(C)C2CC2)nn1 ZINC000406004194 384616281 /nfs/dbraw/zinc/61/62/81/384616281.db2.gz QTAFPCRZZNTFBD-UHFFFAOYSA-N 1 0 236.363 2.298 10 0 BEAERO CC/C=C/CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000184556740 384618890 /nfs/dbraw/zinc/61/88/90/384618890.db2.gz ZMDOGQRAJGNCBB-RDFMZFSFSA-N 1 0 248.374 2.346 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)[C@@H]1C ZINC000084446775 384624067 /nfs/dbraw/zinc/62/40/67/384624067.db2.gz AJWIHLNWCUQLHJ-KRDKVTMHSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1ccc(N[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC000100259555 384628872 /nfs/dbraw/zinc/62/88/72/384628872.db2.gz KGUPPGJJMAALPA-PHIMTYICSA-N 1 0 205.305 2.072 10 0 BEAERO O=C(CCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000050150230 384598414 /nfs/dbraw/zinc/59/84/14/384598414.db2.gz XNOGCRHSVFTNPU-AWEZNQCLSA-N 1 0 247.338 2.106 10 0 BEAERO CCc1cccc2c([C@@H](C[NH3+])N(C)C)c[nH]c21 ZINC000082345254 384668717 /nfs/dbraw/zinc/66/87/17/384668717.db2.gz WUWKHQMLFFVFKW-CYBMUJFWSA-N 1 0 231.343 2.292 10 0 BEAERO C[C@@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000061699366 384670761 /nfs/dbraw/zinc/67/07/61/384670761.db2.gz JSYOICGOTJHSPH-RXMQYKEDSA-N 1 0 216.078 2.174 10 0 BEAERO C[C@H]1CN(CC(C)(C)c2ccccc2)C[C@H]1[NH3+] ZINC000647539379 384674880 /nfs/dbraw/zinc/67/48/80/384674880.db2.gz YGCLMRWXCQXNEQ-GXTWGEPZSA-N 1 0 232.371 2.243 10 0 BEAERO [NH3+]Cc1cc(-c2ccncc2)ccc1F ZINC000042351918 384637994 /nfs/dbraw/zinc/63/79/94/384637994.db2.gz ZMDGWXCMGJDMNW-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO CC(=O)Nc1cccc2c1[N+](=O)C(C)(C)N2O ZINC000367630300 384649450 /nfs/dbraw/zinc/64/94/50/384649450.db2.gz KJNHZULTNVTVCY-UHFFFAOYSA-O 1 0 236.251 2.001 10 0 BEAERO [NH3+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)s1 ZINC000051171437 384659032 /nfs/dbraw/zinc/65/90/32/384659032.db2.gz FVCSIQJROJBHTB-LURJTMIESA-N 1 0 227.720 2.367 10 0 BEAERO Fc1ccc(S[C@H]2CC[NH2+]C2)c(F)c1 ZINC000051784086 384685768 /nfs/dbraw/zinc/68/57/68/384685768.db2.gz ANYBRMASAXHZAG-QMMMGPOBSA-N 1 0 215.268 2.419 10 0 BEAERO c1ccc2oc(S[C@@H]3CC[NH2+]C3)nc2c1 ZINC000051783996 384687597 /nfs/dbraw/zinc/68/75/97/384687597.db2.gz GABDQPZFPIOZHA-MRVPVSSYSA-N 1 0 220.297 2.282 10 0 BEAERO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)nn1 ZINC000051871024 384696240 /nfs/dbraw/zinc/69/62/40/384696240.db2.gz TYJSTXNKVXAWBN-SECBINFHSA-N 1 0 241.722 2.041 10 0 BEAERO Clc1cccnc1OCC1CC[NH2+]CC1 ZINC000051869708 384697127 /nfs/dbraw/zinc/69/71/27/384697127.db2.gz YILJYQHKGROTSW-UHFFFAOYSA-N 1 0 226.707 2.113 10 0 BEAERO Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051918712 384699644 /nfs/dbraw/zinc/69/96/44/384699644.db2.gz SMWKJPDNMNBJRQ-LBPRGKRZSA-N 1 0 220.316 2.159 10 0 BEAERO c1ccc2sc(OC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000051889080 384699821 /nfs/dbraw/zinc/69/98/21/384699821.db2.gz XEIKZOTUDNNWBW-SECBINFHSA-N 1 0 234.324 2.285 10 0 BEAERO c1ccc2[nH]c(SC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000051890862 384700949 /nfs/dbraw/zinc/70/09/49/384700949.db2.gz WFLISDHOEXERLP-SECBINFHSA-N 1 0 233.340 2.265 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1Nc1cnc2ccccc2n1 ZINC000052017827 384709633 /nfs/dbraw/zinc/70/96/33/384709633.db2.gz YRZBEZNTCNWSDH-QWRGUYRKSA-N 1 0 242.326 2.312 10 0 BEAERO C[NH2+][C@H]1c2cccc(Br)c2O[C@@H]1C ZINC000043634687 384719876 /nfs/dbraw/zinc/71/98/76/384719876.db2.gz TVLOVFRBPVEHKO-HZGVNTEJSA-N 1 0 242.116 2.491 10 0 BEAERO C[C@@H]1Oc2c(cc(F)cc2Br)[C@@H]1[NH3+] ZINC000043635016 384719923 /nfs/dbraw/zinc/71/99/23/384719923.db2.gz DSSJDNLFGWUGSY-RNHFCUEFSA-N 1 0 246.079 2.369 10 0 BEAERO C[NH2+][C@@H]1c2cc(OC)ccc2S[C@@H]1C ZINC000043635776 384729410 /nfs/dbraw/zinc/72/94/10/384729410.db2.gz ZSUSJAPGVVAWIF-HQJQHLMTSA-N 1 0 209.314 2.450 10 0 BEAERO C[NH+](C)C[C@@H](NC(=O)C1CCC1)c1ccccc1 ZINC000052554715 384734797 /nfs/dbraw/zinc/73/47/97/384734797.db2.gz IQSOQDUSBRYMFD-CQSZACIVSA-N 1 0 246.354 2.206 10 0 BEAERO CCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052554668 384736377 /nfs/dbraw/zinc/73/63/77/384736377.db2.gz MZWCNYRIRPJMNG-CYBMUJFWSA-N 1 0 234.343 2.206 10 0 BEAERO Cc1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000163253933 384779393 /nfs/dbraw/zinc/77/93/93/384779393.db2.gz BCVLCIBXPCTKEW-MFKMUULPSA-N 1 0 223.291 2.401 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)NCC ZINC000309698580 384739411 /nfs/dbraw/zinc/73/94/11/384739411.db2.gz LVQCMODSLSMVPP-UTUOFQBUSA-N 1 0 226.364 2.069 10 0 BEAERO CCOC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309960848 384741483 /nfs/dbraw/zinc/74/14/83/384741483.db2.gz LBAXXAOIBYQOMJ-RVMXOQNASA-N 1 0 229.364 2.205 10 0 BEAERO N[C@H](C[NH3+])c1c(F)ccc(Cl)c1Cl ZINC000044473147 384742896 /nfs/dbraw/zinc/74/28/96/384742896.db2.gz NHBCUAICKNFGEP-ZCFIWIBFSA-N 1 0 223.078 2.091 10 0 BEAERO C[C@H]([NH2+]CCCCCF)[C@H]1CCCO1 ZINC000308487332 384745382 /nfs/dbraw/zinc/74/53/82/384745382.db2.gz PHLRJJBSAGNUTM-WDEREUQCSA-N 1 0 203.301 2.283 10 0 BEAERO [NH3+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000083186690 384749940 /nfs/dbraw/zinc/74/99/40/384749940.db2.gz INLOPVUYKOQZNM-LLVKDONJSA-N 1 0 211.692 2.000 10 0 BEAERO C[C@@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000083215460 384752430 /nfs/dbraw/zinc/75/24/30/384752430.db2.gz DDAKQAVSPSANPX-BDAKNGLRSA-N 1 0 229.270 2.244 10 0 BEAERO C[C@@H]([NH3+])c1nnc(-c2cccc(F)c2)s1 ZINC000083320362 384759642 /nfs/dbraw/zinc/75/96/42/384759642.db2.gz GURDHSSPELXLEO-ZCFIWIBFSA-N 1 0 223.276 2.364 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C[C@H](C)O1 ZINC000518171109 384763479 /nfs/dbraw/zinc/76/34/79/384763479.db2.gz QDANNTGONZEUNT-YVECIDJPSA-N 1 0 243.391 2.187 10 0 BEAERO CC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000051628403 384822250 /nfs/dbraw/zinc/82/22/50/384822250.db2.gz SJKGDKJVMHLPIT-CHWSQXEVSA-N 1 0 234.343 2.237 10 0 BEAERO CCOCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308574690 384823412 /nfs/dbraw/zinc/82/34/12/384823412.db2.gz DAUCTPKBEUIXEX-MNOVXSKESA-N 1 0 203.301 2.141 10 0 BEAERO c1nc(C2CCCCC2)n2c1C[NH2+]CC2 ZINC000083986029 384825148 /nfs/dbraw/zinc/82/51/48/384825148.db2.gz OWTRKYPGJUOXGL-UHFFFAOYSA-N 1 0 205.305 2.034 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000048775798 384791435 /nfs/dbraw/zinc/79/14/35/384791435.db2.gz VXAVNEFEYCPCHT-MRVPVSSYSA-N 1 0 226.707 2.195 10 0 BEAERO COc1c(C[NH2+][C@@H]2CCC[C@H]2C)c(C)nn1C ZINC000105504772 384792324 /nfs/dbraw/zinc/79/23/24/384792324.db2.gz LFFKWVCXJQHCRI-BXKDBHETSA-N 1 0 237.347 2.015 10 0 BEAERO COc1c(C[NH2+][C@H]2CCC[C@H]2C)c(C)nn1C ZINC000105504776 384793021 /nfs/dbraw/zinc/79/30/21/384793021.db2.gz LFFKWVCXJQHCRI-SKDRFNHKSA-N 1 0 237.347 2.015 10 0 BEAERO [NH3+]C[C@@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000053663244 384800955 /nfs/dbraw/zinc/80/09/55/384800955.db2.gz TUPXBQJNROEMSB-VIFPVBQESA-N 1 0 245.248 2.028 10 0 BEAERO CCOCc1nc(C)c([C@H](C)[NH3+])s1 ZINC000084064983 384836679 /nfs/dbraw/zinc/83/66/79/384836679.db2.gz UKPDHAAAHCVMAB-LURJTMIESA-N 1 0 200.307 2.008 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCF ZINC000375714874 384807639 /nfs/dbraw/zinc/80/76/39/384807639.db2.gz RZMHHYQNVMBZNC-QWHCGFSZSA-N 1 0 228.355 2.295 10 0 BEAERO C[N@H+](CC[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000053933156 384812539 /nfs/dbraw/zinc/81/25/39/384812539.db2.gz ZXZPKCQGBVABQJ-GJZGRUSLSA-N 1 0 249.354 2.221 10 0 BEAERO CO[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308571712 384812881 /nfs/dbraw/zinc/81/28/81/384812881.db2.gz CDULXIBPUYNTTJ-MXWKQRLJSA-N 1 0 203.301 2.139 10 0 BEAERO c1ccc2cc(OCC3=[NH+]CCN3)ccc2c1 ZINC000013806000 384873248 /nfs/dbraw/zinc/87/32/48/384873248.db2.gz OYIHXXLZTZOIOR-UHFFFAOYSA-N 1 0 226.279 2.220 10 0 BEAERO C[C@H]([NH2+]Cc1cncs1)c1ccncc1 ZINC000054770123 384856043 /nfs/dbraw/zinc/85/60/43/384856043.db2.gz AHUNGTDWQMEIPW-VIFPVBQESA-N 1 0 219.313 2.389 10 0 BEAERO CCN(C[C@@H]([NH3+])CC(C)C)CC(F)(F)F ZINC000042781679 384861584 /nfs/dbraw/zinc/86/15/84/384861584.db2.gz UCDGQSXXPNZVBI-VIFPVBQESA-N 1 0 226.286 2.244 10 0 BEAERO CCSCC[C@H](C)[NH2+]Cc1cncnc1 ZINC000127488767 384864741 /nfs/dbraw/zinc/86/47/41/384864741.db2.gz SODUTZUNWWKYGL-JTQLQIEISA-N 1 0 225.361 2.098 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccsc1 ZINC000054686026 384953538 /nfs/dbraw/zinc/95/35/38/384953538.db2.gz VZEFGKMNDNQDPU-OLZOCXBDSA-N 1 0 233.336 2.352 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000128688378 384961154 /nfs/dbraw/zinc/96/11/54/384961154.db2.gz JUOIJOCNBGFOMW-WOPDTQHZSA-N 1 0 207.317 2.354 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1nccc(C(C)(C)C)n1 ZINC000310205388 384902509 /nfs/dbraw/zinc/90/25/09/384902509.db2.gz BOULYTVPQMFKIA-JTQLQIEISA-N 1 0 236.363 2.169 10 0 BEAERO FCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000127921844 384922558 /nfs/dbraw/zinc/92/25/58/384922558.db2.gz VJFGWFJKBNXLJG-NWDGAFQWSA-N 1 0 225.311 2.316 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)C1CCCCC1 ZINC000367713997 384931412 /nfs/dbraw/zinc/93/14/12/384931412.db2.gz XRVWNXILSUOCIQ-ZRJCITRHSA-N 1 0 223.360 2.437 10 0 BEAERO c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000368496510 384959830 /nfs/dbraw/zinc/95/98/30/384959830.db2.gz PAOQUZNXZGGNES-XQLPTFJDSA-N 1 0 229.323 2.156 10 0 BEAERO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367626982 384935677 /nfs/dbraw/zinc/93/56/77/384935677.db2.gz QVCCBVAVASGCTJ-ZRJCITRHSA-N 1 0 249.329 2.239 10 0 BEAERO C[C@H]([NH3+])CCNCc1cc(Cl)ccc1F ZINC000258668355 384935927 /nfs/dbraw/zinc/93/59/27/384935927.db2.gz CJGCEBBDAVOTNF-QMMMGPOBSA-N 1 0 230.714 2.306 10 0 BEAERO CCC[C@@](C)(O)C[NH2+][C@@H]1CCCSC1 ZINC000128268063 384939352 /nfs/dbraw/zinc/93/93/52/384939352.db2.gz WSIOAIUNDJKXTL-GHMZBOCLSA-N 1 0 217.378 2.023 10 0 BEAERO CCc1cc(CC)nc(N[C@H](C)CCC[NH3+])n1 ZINC000310289880 384942778 /nfs/dbraw/zinc/94/27/78/384942778.db2.gz KGLDMGLILYRJOF-SNVBAGLBSA-N 1 0 236.363 2.141 10 0 BEAERO COc1ccc(CNCC[C@@H](C)[NH3+])c(Cl)c1 ZINC000258769865 384943318 /nfs/dbraw/zinc/94/33/18/384943318.db2.gz NYWKUKYOHIETKU-SECBINFHSA-N 1 0 242.750 2.176 10 0 BEAERO CCc1cc(CC)nc(N[C@@H](C)CCC[NH3+])n1 ZINC000310289879 384944608 /nfs/dbraw/zinc/94/46/08/384944608.db2.gz KGLDMGLILYRJOF-JTQLQIEISA-N 1 0 236.363 2.141 10 0 BEAERO [NH3+]CCCc1[nH]nc2c1cccc2Cl ZINC000107449130 384968778 /nfs/dbraw/zinc/96/87/78/384968778.db2.gz DHSZIRLATNKPES-UHFFFAOYSA-N 1 0 209.680 2.108 10 0 BEAERO C[N@@H+](Cc1ccns1)C[C@@H]1CCC[C@@H](O)C1 ZINC000404384532 384973662 /nfs/dbraw/zinc/97/36/62/384973662.db2.gz ISUJCPXUCMPRHE-GHMZBOCLSA-N 1 0 240.372 2.126 10 0 BEAERO C[N@@H+](Cc1ccns1)C[C@H]1CCC[C@H](O)C1 ZINC000404384537 384975315 /nfs/dbraw/zinc/97/53/15/384975315.db2.gz ISUJCPXUCMPRHE-QWRGUYRKSA-N 1 0 240.372 2.126 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)nc1 ZINC000087782229 384990298 /nfs/dbraw/zinc/99/02/98/384990298.db2.gz CBXPNKHTSAGPLS-DGCLKSJQSA-N 1 0 220.316 2.047 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2CO)sn1 ZINC000404435049 384994944 /nfs/dbraw/zinc/99/49/44/384994944.db2.gz QPVQIPDASLPAIL-CMPLNLGQSA-N 1 0 240.372 2.092 10 0 BEAERO C[C@@H]1Cc2cc(F)c(F)c(F)c2C[NH2+]1 ZINC000062707485 384998115 /nfs/dbraw/zinc/99/81/15/384998115.db2.gz ZTBWPQNJRCHUEP-RXMQYKEDSA-N 1 0 201.191 2.138 10 0 BEAERO COC(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000107822302 385003177 /nfs/dbraw/zinc/00/31/77/385003177.db2.gz DUIASICJBXFLOO-GPAKFWEMSA-N 1 0 245.322 2.195 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000086256423 385004419 /nfs/dbraw/zinc/00/44/19/385004419.db2.gz LQFLSBQHIUCFQH-QWHCGFSZSA-N 1 0 222.332 2.165 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000128655961 385059579 /nfs/dbraw/zinc/05/95/79/385059579.db2.gz QYAROGPMPSOZJB-CMPLNLGQSA-N 1 0 234.343 2.386 10 0 BEAERO Cc1c(C[NH2+]CCc2ccsc2)cnn1C ZINC000086552013 385027226 /nfs/dbraw/zinc/02/72/26/385027226.db2.gz ZRTZUAVGJRECAB-UHFFFAOYSA-N 1 0 235.356 2.122 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000061641160 385128938 /nfs/dbraw/zinc/12/89/38/385128938.db2.gz SMFBZHDZLMMMDZ-BXUZGUMPSA-N 1 0 227.311 2.370 10 0 BEAERO [NH3+][C@H](c1cscn1)c1ccc(F)cc1 ZINC000062354741 385133802 /nfs/dbraw/zinc/13/38/02/385133802.db2.gz CQLFWFXULVGQDZ-JTQLQIEISA-N 1 0 208.261 2.330 10 0 BEAERO COC1(CC[N@@H+]2CCC[C@@H]2CCCO)CCC1 ZINC000310474499 385087609 /nfs/dbraw/zinc/08/76/09/385087609.db2.gz JRHKRAGBHRVBTO-CYBMUJFWSA-N 1 0 241.375 2.183 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccnn1CC ZINC000119429755 385095399 /nfs/dbraw/zinc/09/53/99/385095399.db2.gz XWTMJWYAHOBHMO-CMPLNLGQSA-N 1 0 207.321 2.181 10 0 BEAERO [NH3+]C[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062720986 385098938 /nfs/dbraw/zinc/09/89/38/385098938.db2.gz MBBOQBPOULAGPB-NKWVEPMBSA-N 1 0 201.191 2.166 10 0 BEAERO C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCCO1 ZINC000109836423 385194558 /nfs/dbraw/zinc/19/45/58/385194558.db2.gz CTECYAVGPKOXQG-AWEZNQCLSA-N 1 0 247.338 2.232 10 0 BEAERO Fc1cccc(Cl)c1CNC[C@@H]1CC[NH2+]C1 ZINC000398343773 385198801 /nfs/dbraw/zinc/19/88/01/385198801.db2.gz FMOULMDLLOIMON-SECBINFHSA-N 1 0 242.725 2.178 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc2c(c1)CCO2 ZINC000109545624 385173695 /nfs/dbraw/zinc/17/36/95/385173695.db2.gz QABYGVOAMZUGRB-FZMZJTMJSA-N 1 0 247.338 2.451 10 0 BEAERO COCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000336712645 385174874 /nfs/dbraw/zinc/17/48/74/385174874.db2.gz OFTWNWVEIQQLDX-JHJVBQTASA-N 1 0 243.391 2.188 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)N(C)C ZINC000308890896 385244415 /nfs/dbraw/zinc/24/44/15/385244415.db2.gz XOQAXJKCBLUUEA-IJLUTSLNSA-N 1 0 216.344 2.054 10 0 BEAERO CSc1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000120334651 385313528 /nfs/dbraw/zinc/31/35/28/385313528.db2.gz YWFABWGEQBZWEQ-UHFFFAOYSA-N 1 0 223.341 2.023 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]2CO)s1 ZINC000274901420 385266057 /nfs/dbraw/zinc/26/60/57/385266057.db2.gz ICUPIVOHBGHWLC-WDEREUQCSA-N 1 0 240.372 2.092 10 0 BEAERO [NH3+]CCn1nc(-c2ccccc2)c2cnccc21 ZINC000034516994 385285086 /nfs/dbraw/zinc/28/50/86/385285086.db2.gz KKRMLAMZLZFHST-UHFFFAOYSA-N 1 0 238.294 2.057 10 0 BEAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCO ZINC000034676162 385289326 /nfs/dbraw/zinc/28/93/26/385289326.db2.gz KAQXLSAOMMGBQJ-RWMBFGLXSA-N 1 0 213.365 2.419 10 0 BEAERO CCOc1ccc([C@H]2C[NH2+]C[C@H]2CF)cc1 ZINC000409424431 385332270 /nfs/dbraw/zinc/33/22/70/385332270.db2.gz ZWUAMXNSVOJMDG-DGCLKSJQSA-N 1 0 223.291 2.358 10 0 BEAERO C=Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000409424483 385332277 /nfs/dbraw/zinc/33/22/77/385332277.db2.gz VQSVOWSHFBWZTF-UHFFFAOYSA-N 1 0 217.312 2.286 10 0 BEAERO CC(C)(C)C(=O)Nc1ccc(OC2C[NH2+]C2)cc1 ZINC000409425799 385333629 /nfs/dbraw/zinc/33/36/29/385333629.db2.gz NBMCEPHJGVLXPU-UHFFFAOYSA-N 1 0 248.326 2.022 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)[C@H]1C ZINC000309016157 385371121 /nfs/dbraw/zinc/37/11/21/385371121.db2.gz ZPNVYKJNVQPBLQ-MLGHIDQZSA-N 1 0 211.349 2.172 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000161592790 385375759 /nfs/dbraw/zinc/37/57/59/385375759.db2.gz MJQGFMYPIJEDPP-SNVBAGLBSA-N 1 0 214.353 2.056 10 0 BEAERO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309060375 385395372 /nfs/dbraw/zinc/39/53/72/385395372.db2.gz WDUBZPNCTXYKJU-FIQHERPVSA-N 1 0 217.328 2.264 10 0 BEAERO C([NH2+]C1CCCC1)[C@H]1CC12CCOCC2 ZINC000309075742 385405608 /nfs/dbraw/zinc/40/56/08/385405608.db2.gz KGIZGZVBLRJKAB-LLVKDONJSA-N 1 0 209.333 2.335 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(Cl)cn1 ZINC000165739610 385411926 /nfs/dbraw/zinc/41/19/26/385411926.db2.gz HNJQAWZCKVEGEU-JGVFFNPUSA-N 1 0 213.712 2.273 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)C(C)(C)C)c1 ZINC000114473729 385415590 /nfs/dbraw/zinc/41/55/90/385415590.db2.gz BVKOTFYJFZHPOU-LLVKDONJSA-N 1 0 209.337 2.216 10 0 BEAERO C[C@@H]1CCN(Cc2ccccc2)[C@@H](C)[C@@H]1[NH3+] ZINC000169616747 385415694 /nfs/dbraw/zinc/41/56/94/385415694.db2.gz ZWBZAXCNTIOTLB-MBNYWOFBSA-N 1 0 218.344 2.244 10 0 BEAERO Cc1ccc(CCC[NH2+][C@@H]2C[C@@H]2C)cn1 ZINC000309161811 385442837 /nfs/dbraw/zinc/44/28/37/385442837.db2.gz ZKRGGQZCGMWPJT-GXFFZTMASA-N 1 0 204.317 2.321 10 0 BEAERO c1cnn(CC2CC[NH+](CC3CC3)CC2)c1 ZINC000156222641 385443046 /nfs/dbraw/zinc/44/30/46/385443046.db2.gz CCUWMICHQNWMGY-UHFFFAOYSA-N 1 0 219.332 2.005 10 0 BEAERO C[C@@H]([NH3+])c1noc(-c2ccc(Cl)s2)n1 ZINC000051173343 385445262 /nfs/dbraw/zinc/44/52/62/385445262.db2.gz LNYHELOBJLKYJK-SCSAIBSYSA-N 1 0 229.692 2.471 10 0 BEAERO c1csc(C[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000275521221 385456405 /nfs/dbraw/zinc/45/64/05/385456405.db2.gz LCNHZOQFRUTGOI-NSHDSACASA-N 1 0 247.367 2.297 10 0 BEAERO CC(C)[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H](C)O ZINC000111230129 385497171 /nfs/dbraw/zinc/49/71/71/385497171.db2.gz WTHSYNHMHZSRNO-GFCCVEGCSA-N 1 0 249.354 2.213 10 0 BEAERO CCCCN(CCCC)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111263821 385497779 /nfs/dbraw/zinc/49/77/79/385497779.db2.gz ANAPVXMKJZMSDU-STQMWFEESA-N 1 0 240.391 2.271 10 0 BEAERO Cn1cc([C@H]2CCC[N@@H+]2C[Si](C)(C)C)cn1 ZINC000171741042 385514210 /nfs/dbraw/zinc/51/42/10/385514210.db2.gz RYCGNSTVGUBFBY-GFCCVEGCSA-N 1 0 237.423 2.434 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccccc1 ZINC000282235626 385536017 /nfs/dbraw/zinc/53/60/17/385536017.db2.gz FTQJENJCTVGEOK-LOWVWBTDSA-N 1 0 232.327 2.004 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)c2nccn21 ZINC000379066999 385525072 /nfs/dbraw/zinc/52/50/72/385525072.db2.gz WTJAWCNWBBGQJP-WOPDTQHZSA-N 1 0 235.331 2.048 10 0 BEAERO C1CC2(C1)C[N@H+](C1CCCC1)[C@@H]1COC[C@H]12 ZINC000335162072 385576397 /nfs/dbraw/zinc/57/63/97/385576397.db2.gz NLNSIHPTYNHVCU-CHWSQXEVSA-N 1 0 221.344 2.430 10 0 BEAERO CC1(OCc2ccccc2)CC[NH2+]CC1 ZINC000258194703 385553508 /nfs/dbraw/zinc/55/35/08/385553508.db2.gz WEDWWSGXGKYEKD-UHFFFAOYSA-N 1 0 205.301 2.345 10 0 BEAERO CC[C@H]([NH2+]C[C@@](C)(O)CCOC)C(C)(C)C ZINC000309421586 385576600 /nfs/dbraw/zinc/57/66/00/385576600.db2.gz DQTXBABSQFRZDA-AAEUAGOBSA-N 1 0 231.380 2.188 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037164472 385597510 /nfs/dbraw/zinc/59/75/10/385597510.db2.gz DTKGYLWDKYDYGZ-KBPBESRZSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1ccsc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037164893 385597531 /nfs/dbraw/zinc/59/75/31/385597531.db2.gz BUGILJPPLUOZDB-QWRGUYRKSA-N 1 0 225.357 2.450 10 0 BEAERO c1ccc2nnc([C@@H]3CCC[NH2+]C3)cc2c1 ZINC000259558296 385582668 /nfs/dbraw/zinc/58/26/68/385582668.db2.gz SCXXTFVDWACSBM-LLVKDONJSA-N 1 0 213.284 2.097 10 0 BEAERO [NH3+]CC1([C@@H](O)c2ccccc2Cl)CC1 ZINC000259562544 385584917 /nfs/dbraw/zinc/58/49/17/385584917.db2.gz VQLJUBPCPZTNCG-JTQLQIEISA-N 1 0 211.692 2.112 10 0 BEAERO C[C@@H](NC(=[NH2+])NC1CC1)c1cccs1 ZINC000052041937 385621926 /nfs/dbraw/zinc/62/19/26/385621926.db2.gz HGIWBTOCWGZUTC-SSDOTTSWSA-N 1 0 209.318 2.085 10 0 BEAERO [NH3+]Cc1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000062820802 385635826 /nfs/dbraw/zinc/63/58/26/385635826.db2.gz AEXQSTHAHJPJEX-UHFFFAOYSA-N 1 0 207.664 2.189 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000122572728 385644621 /nfs/dbraw/zinc/64/46/21/385644621.db2.gz PHYAQJACZFOLKE-TUAOUCFPSA-N 1 0 229.389 2.143 10 0 BEAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000037424348 385644658 /nfs/dbraw/zinc/64/46/58/385644658.db2.gz AKRXMKWOOWJQHB-MLUIRONXSA-N 1 0 220.099 2.374 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)Cn1cccn1 ZINC000336734574 385662979 /nfs/dbraw/zinc/66/29/79/385662979.db2.gz NIMVMJKLJOBKSA-UTUOFQBUSA-N 1 0 207.321 2.050 10 0 BEAERO c1cn2c(n1)[C@@H](C[NH2+]C1CCCC1)CCC2 ZINC000309542376 385684943 /nfs/dbraw/zinc/68/49/43/385684943.db2.gz GSMIZCIPRNVGCP-LLVKDONJSA-N 1 0 219.332 2.293 10 0 BEAERO FCC[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000309553265 385687027 /nfs/dbraw/zinc/68/70/27/385687027.db2.gz GSGBZFWMRICBQQ-UHFFFAOYSA-N 1 0 242.363 2.272 10 0 BEAERO C[NH+](C)CCOc1nc2ccccc2s1 ZINC000211657424 385688439 /nfs/dbraw/zinc/68/84/39/385688439.db2.gz DJCKZOJTOFOFLT-UHFFFAOYSA-N 1 0 222.313 2.237 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccsc1Cl ZINC000307443673 385689202 /nfs/dbraw/zinc/68/92/02/385689202.db2.gz UNZJVYIKKNWKGA-APPZFPTMSA-N 1 0 230.764 2.323 10 0 BEAERO C[C@]1(c2cccc(Br)c2)C[C@H]1[NH3+] ZINC000052126026 385698683 /nfs/dbraw/zinc/69/86/83/385698683.db2.gz STQRDQYOJVEXSX-NXEZZACHSA-N 1 0 226.117 2.438 10 0 BEAERO C[C@@]1(c2ccccc2Br)C[C@H]1[NH3+] ZINC000052126199 385700186 /nfs/dbraw/zinc/70/01/86/385700186.db2.gz IZDIAOOMGGLPNZ-ZJUUUORDSA-N 1 0 226.117 2.438 10 0 BEAERO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000230088834 385706034 /nfs/dbraw/zinc/70/60/34/385706034.db2.gz KSOSAWXVJLCLER-GXTWGEPZSA-N 1 0 234.343 2.031 10 0 BEAERO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000230088825 385706983 /nfs/dbraw/zinc/70/69/83/385706983.db2.gz KSOSAWXVJLCLER-TZMCWYRMSA-N 1 0 234.343 2.031 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+]CCN1CCCC1 ZINC000309583016 385715900 /nfs/dbraw/zinc/71/59/00/385715900.db2.gz RCOASHRCCUVRGK-CHWSQXEVSA-N 1 0 228.355 2.200 10 0 BEAERO CC[C@H]([NH2+]CCc1cnccn1)C(C)(C)C ZINC000336735809 385716690 /nfs/dbraw/zinc/71/66/90/385716690.db2.gz MCUJJTWOLAMJHR-LBPRGKRZSA-N 1 0 221.348 2.433 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000052395688 385731429 /nfs/dbraw/zinc/73/14/29/385731429.db2.gz BALNFLLNRJMQGH-IUCAKERBSA-N 1 0 240.734 2.125 10 0 BEAERO CCCCC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647542 385723672 /nfs/dbraw/zinc/72/36/72/385723672.db2.gz BESZZHOUVWBEIK-JHJVBQTASA-N 1 0 240.391 2.460 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc(N)c1 ZINC000616598283 385857141 /nfs/dbraw/zinc/85/71/41/385857141.db2.gz JQTWHBGRJPAGKT-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284215356 385858135 /nfs/dbraw/zinc/85/81/35/385858135.db2.gz CLOVHIIRWIGOPW-MWLCHTKSSA-N 1 0 219.332 2.272 10 0 BEAERO Clc1cccc(NCC[NH+]2CC=CC2)n1 ZINC000307016389 385836007 /nfs/dbraw/zinc/83/60/07/385836007.db2.gz OSHSDOWIXQTPBU-UHFFFAOYSA-N 1 0 223.707 2.019 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336707306 385792537 /nfs/dbraw/zinc/79/25/37/385792537.db2.gz RRRVNZDCJNGZDZ-XGEHTFHBSA-N 1 0 223.238 2.094 10 0 BEAERO Cc1ccc2nc(C[NH2+][C@@H]3C[C@H]3C)cn2c1 ZINC000283826616 385794357 /nfs/dbraw/zinc/79/43/57/385794357.db2.gz GHXUBKUGLPAEKE-ZYHUDNBSSA-N 1 0 215.300 2.141 10 0 BEAERO COC[C@H](C[NH2+][C@H](C)c1cc(C)oc1C)OC ZINC000219297715 385928750 /nfs/dbraw/zinc/92/87/50/385928750.db2.gz VCMHNHSAABGLOY-PWSUYJOCSA-N 1 0 241.331 2.208 10 0 BEAERO Fc1ccc(S[C@H]2CC[NH2+]C2)cc1F ZINC000051784082 385915334 /nfs/dbraw/zinc/91/53/34/385915334.db2.gz HAMYQQFGYXLBOB-QMMMGPOBSA-N 1 0 215.268 2.419 10 0 BEAERO CNC(=[NH2+])Cc1ccc(Br)cc1 ZINC000062994485 385917694 /nfs/dbraw/zinc/91/76/94/385917694.db2.gz HOUMBNHLVVUUJW-UHFFFAOYSA-N 1 0 227.105 2.188 10 0 BEAERO CC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336725845 385863098 /nfs/dbraw/zinc/86/30/98/385863098.db2.gz GLQJAXFHDBDECD-UTUOFQBUSA-N 1 0 217.328 2.265 10 0 BEAERO Clc1cnccc1N1CCC2(CC[NH2+]2)CC1 ZINC000335018592 385977979 /nfs/dbraw/zinc/97/79/79/385977979.db2.gz WCQCAVDPGVNRRT-UHFFFAOYSA-N 1 0 237.734 2.067 10 0 BEAERO CC[C@H]([NH2+]CCn1cc(C)cn1)C(C)C ZINC000123914789 385942211 /nfs/dbraw/zinc/94/22/11/385942211.db2.gz FCXFFNZDWPDTFE-LBPRGKRZSA-N 1 0 209.337 2.216 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)CC ZINC000336750252 386002353 /nfs/dbraw/zinc/00/23/53/386002353.db2.gz ZJUJPPPXYHZRSR-NEPJUHHUSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000221794338 386019476 /nfs/dbraw/zinc/01/94/76/386019476.db2.gz LRLRTSWPZXUMIZ-RWMBFGLXSA-N 1 0 212.381 2.349 10 0 BEAERO C/C=C/[C@H]([NH3+])[C@@H]1SCCS[C@@H]1C ZINC000575562788 386035623 /nfs/dbraw/zinc/03/56/23/386035623.db2.gz DQBDPIRKISOKBG-GYPDQYIGSA-N 1 0 203.376 2.127 10 0 BEAERO C[C@@H]1N(Cc2ccccc2)CC[C@@]1([NH3+])C1CC1 ZINC000575568793 386111541 /nfs/dbraw/zinc/11/15/41/386111541.db2.gz OGUWHMQSYNAZPZ-WFASDCNBSA-N 1 0 230.355 2.388 10 0 BEAERO CC[C@H]([NH2+]Cc1cc(C)n(C)n1)C(C)C ZINC000414312166 386116339 /nfs/dbraw/zinc/11/63/39/386116339.db2.gz WGJCAJMRWKAPLB-LBPRGKRZSA-N 1 0 209.337 2.253 10 0 BEAERO Clc1cccnc1N1CCC2(CC[NH2+]2)CC1 ZINC000335018565 386058753 /nfs/dbraw/zinc/05/87/53/386058753.db2.gz VCDNPJDDCMSATE-UHFFFAOYSA-N 1 0 237.734 2.067 10 0 BEAERO C[C@H]1SCCC[C@]1([NH3+])c1cscn1 ZINC000575566334 386083340 /nfs/dbraw/zinc/08/33/40/386083340.db2.gz ULXJXOJWLOJOLA-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1cnn(CC[NH2+]Cc2ccc(C)c(F)c2)c1 ZINC000225192505 386175365 /nfs/dbraw/zinc/17/53/65/386175365.db2.gz XMQHVLPQWMZOME-UHFFFAOYSA-N 1 0 247.317 2.429 10 0 BEAERO C[C@H]([NH2+][C@H]1COc2ccccc21)[C@@H]1CCOC1 ZINC000224168552 386128679 /nfs/dbraw/zinc/12/86/79/386128679.db2.gz DVELRUXAPYETNV-LOWVWBTDSA-N 1 0 233.311 2.135 10 0 BEAERO Clc1nc(NCC[NH+]2CCCC2)cs1 ZINC000307349769 386130361 /nfs/dbraw/zinc/13/03/61/386130361.db2.gz AEYMKEGNDXHORM-UHFFFAOYSA-N 1 0 231.752 2.304 10 0 BEAERO COC[C@@H](C)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000125051731 386218240 /nfs/dbraw/zinc/21/82/40/386218240.db2.gz KBMORWBGIPHOTL-SNVBAGLBSA-N 1 0 242.388 2.466 10 0 BEAERO COC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1 ZINC000226013701 386233371 /nfs/dbraw/zinc/23/33/71/386233371.db2.gz DNXIQCUZHLJYOZ-LSDHHAIUSA-N 1 0 248.370 2.058 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])Cc1ccc(Br)cn1 ZINC000575582668 386248833 /nfs/dbraw/zinc/24/88/33/386248833.db2.gz QDYGPXVKPWXCOK-XCBNKYQSSA-N 1 0 241.132 2.124 10 0 BEAERO Cc1ccc(CNC2=[NH+][C@@H](C)CS2)o1 ZINC000053040798 386200420 /nfs/dbraw/zinc/20/04/20/386200420.db2.gz YVPLJZFBBYTAHH-ZETCQYMHSA-N 1 0 210.302 2.169 10 0 BEAERO Cc1cccc(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000335271555 386358980 /nfs/dbraw/zinc/35/89/80/386358980.db2.gz XRLGPWHDLIYASE-JQWIXIFHSA-N 1 0 247.342 2.114 10 0 BEAERO CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366346261 386375163 /nfs/dbraw/zinc/37/51/63/386375163.db2.gz KSEJRHUFJRVJEY-RWMBFGLXSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1cccc(OCC[N@H+]2C[C@H](O)CC[C@@H]2C)c1 ZINC000399196943 386448113 /nfs/dbraw/zinc/44/81/13/386448113.db2.gz DMTOXKDQZVKHEI-UONOGXRCSA-N 1 0 249.354 2.219 10 0 BEAERO [NH3+][C@H]1CC[C@H](n2cc(Br)cn2)CC1 ZINC000521399248 386428854 /nfs/dbraw/zinc/42/88/54/386428854.db2.gz ILBAFRKMTWKWIN-KYZUINATSA-N 1 0 244.136 2.088 10 0 BEAERO [NH3+][C@H]1CC[C@@H](n2cc(Br)cn2)CC1 ZINC000521399443 386431512 /nfs/dbraw/zinc/43/15/12/386431512.db2.gz ILBAFRKMTWKWIN-DTORHVGOSA-N 1 0 244.136 2.088 10 0 BEAERO [NH3+]Cc1ccc2c(c1)nnn2C1CCCC1 ZINC000328579756 386528749 /nfs/dbraw/zinc/52/87/49/386528749.db2.gz ZTTUCLFSUGZYCG-UHFFFAOYSA-N 1 0 216.288 2.005 10 0 BEAERO COc1c(C[NH3+])ccc(Cl)c1Cl ZINC000299889939 386498365 /nfs/dbraw/zinc/49/83/65/386498365.db2.gz RGMLZJZDYUERQN-UHFFFAOYSA-N 1 0 206.072 2.461 10 0 BEAERO CC(C)CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000062098620 386499216 /nfs/dbraw/zinc/49/92/16/386499216.db2.gz OQAAXCVNHPBCPY-RYUDHWBXSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000190420303 386504853 /nfs/dbraw/zinc/50/48/53/386504853.db2.gz PVKUHMCCHJRION-AGIUHOORSA-N 1 0 241.375 2.206 10 0 BEAERO CCOC[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000190420023 386505689 /nfs/dbraw/zinc/50/56/89/386505689.db2.gz QGEFJIQYJJGEKV-UPJWGTAASA-N 1 0 243.391 2.452 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CCOCC3)[C@@H]1C ZINC000336733246 386505807 /nfs/dbraw/zinc/50/58/07/386505807.db2.gz GKXFZUCXEXXCPK-NDBYEHHHSA-N 1 0 223.360 2.437 10 0 BEAERO Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399212068 386457387 /nfs/dbraw/zinc/45/73/87/386457387.db2.gz RSYRNZDGCIWHHP-FZMZJTMJSA-N 1 0 237.318 2.479 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000094648052 386465151 /nfs/dbraw/zinc/46/51/51/386465151.db2.gz WDYQQCZPEIGFDN-TZMCWYRMSA-N 1 0 246.354 2.346 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ncnn1C(C)C ZINC000300385426 386592048 /nfs/dbraw/zinc/59/20/48/386592048.db2.gz NKUSAKOAJWXHMQ-MNOVXSKESA-N 1 0 222.336 2.137 10 0 BEAERO CN(Cc1cccc(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000062911022 386531779 /nfs/dbraw/zinc/53/17/79/386531779.db2.gz DHUCZEZBIXYBEX-CQSZACIVSA-N 1 0 236.334 2.257 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cn[nH]c1 ZINC000287750526 386550907 /nfs/dbraw/zinc/55/09/07/386550907.db2.gz LPKSGUIQWAKESX-PWSUYJOCSA-N 1 0 227.311 2.400 10 0 BEAERO Cc1[nH+]ccc(N[C@@H](C)[C@H]2CCCO2)c1Cl ZINC000336646541 386636231 /nfs/dbraw/zinc/63/62/31/386636231.db2.gz DWINAFHUTXXGJV-GZMMTYOYSA-N 1 0 240.734 2.445 10 0 BEAERO C[C@H]1Oc2c(cc(Cl)cc2F)[C@H]1[NH3+] ZINC000307414805 386644102 /nfs/dbraw/zinc/64/41/02/386644102.db2.gz JZSVQOBLPJCAGD-VHWMUFPASA-N 1 0 201.628 2.260 10 0 BEAERO Nc1c[nH+]cc(Cl)c1NCCC(F)F ZINC000307415097 386645878 /nfs/dbraw/zinc/64/58/78/386645878.db2.gz XKOHUOSYABKLST-UHFFFAOYSA-N 1 0 221.638 2.384 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000647907296 386653681 /nfs/dbraw/zinc/65/36/81/386653681.db2.gz KFGYRLWNSWEKDU-HONMWMINSA-N 1 0 246.354 2.164 10 0 BEAERO C[C@H]([NH3+])c1csc(N(C)C(C)(C)C)n1 ZINC000306681256 386664796 /nfs/dbraw/zinc/66/47/96/386664796.db2.gz NMTFTOSOCLJGMK-ZETCQYMHSA-N 1 0 213.350 2.398 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336738966 386668750 /nfs/dbraw/zinc/66/87/50/386668750.db2.gz RXURLWFQRMCXOU-NEPJUHHUSA-N 1 0 211.349 2.439 10 0 BEAERO CC(C)(C)C1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000050347913 386670079 /nfs/dbraw/zinc/67/00/79/386670079.db2.gz DRTOEXWNOWWXCP-UHFFFAOYSA-N 1 0 240.391 2.256 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)C1CCC1 ZINC000324882965 386678833 /nfs/dbraw/zinc/67/88/33/386678833.db2.gz DUIHIFDPPCDISI-STQMWFEESA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000246946187 386687305 /nfs/dbraw/zinc/68/73/05/386687305.db2.gz BEMXGWBWSVXCLE-QWRGUYRKSA-N 1 0 240.372 2.441 10 0 BEAERO CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)C(C)(C)C ZINC000336759860 386690502 /nfs/dbraw/zinc/69/05/02/386690502.db2.gz LEAGGLNJPPQCJC-YUMQZZPRSA-N 1 0 227.270 2.324 10 0 BEAERO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1ccccc1 ZINC000122104670 386734897 /nfs/dbraw/zinc/73/48/97/386734897.db2.gz IDGFUSSGRWFZGZ-OAHLLOKOSA-N 1 0 248.370 2.109 10 0 BEAERO CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000122118554 386737081 /nfs/dbraw/zinc/73/70/81/386737081.db2.gz XXHPHVYFYKGZCC-SRVKXCTJSA-N 1 0 226.364 2.055 10 0 BEAERO CCC[C@H](C(=O)NCC(C)(C)CC)[NH+](C)C ZINC000192226945 386747272 /nfs/dbraw/zinc/74/72/72/386747272.db2.gz WWNVMSMKMDGHAA-LLVKDONJSA-N 1 0 228.380 2.269 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(C)C)cn1 ZINC000336760986 386748855 /nfs/dbraw/zinc/74/88/55/386748855.db2.gz MRRLPVUPSCWTJJ-GHMZBOCLSA-N 1 0 207.321 2.480 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]Cc2ccccc21 ZINC000228776040 386768444 /nfs/dbraw/zinc/76/84/44/386768444.db2.gz MQHAYLHGSZWLNR-LBPRGKRZSA-N 1 0 248.326 2.356 10 0 BEAERO N[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1Cl ZINC000044470329 386779971 /nfs/dbraw/zinc/77/99/71/386779971.db2.gz TUUQXTXIOQPCPT-ZETCQYMHSA-N 1 0 238.640 2.317 10 0 BEAERO [NH2+]=C(NCc1ccccc1)NC1CC(F)(F)C1 ZINC000575450879 386788433 /nfs/dbraw/zinc/78/84/33/386788433.db2.gz CRHGCGCAUJEPMU-UHFFFAOYSA-N 1 0 239.269 2.098 10 0 BEAERO [NH3+][C@@H](c1cncs1)C1CCSCC1 ZINC000575453454 386811100 /nfs/dbraw/zinc/81/11/00/386811100.db2.gz GMKDEDMPVFHHAF-SECBINFHSA-N 1 0 214.359 2.286 10 0 BEAERO C[C@@H]1SCCC[C@@]1([NH3+])c1ccns1 ZINC000575453040 386815898 /nfs/dbraw/zinc/81/58/98/386815898.db2.gz DLSIZOFJAMYNHF-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2ccsc2Br)C1 ZINC000575454236 386833351 /nfs/dbraw/zinc/83/33/51/386833351.db2.gz SBHKMVBEVHRARX-FSPLSTOPSA-N 1 0 248.145 2.299 10 0 BEAERO COC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114563960 386878944 /nfs/dbraw/zinc/87/89/44/386878944.db2.gz BYAAEJILIVNOSE-JSGCOSHPSA-N 1 0 237.343 2.370 10 0 BEAERO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000334854423 386905343 /nfs/dbraw/zinc/90/53/43/386905343.db2.gz MXRGYIRBIBGOLL-NEPJUHHUSA-N 1 0 210.365 2.106 10 0 BEAERO C[C@@H]1CCC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000334855436 386907128 /nfs/dbraw/zinc/90/71/28/386907128.db2.gz XLFAUAQMAJKAEH-BDAKNGLRSA-N 1 0 221.304 2.311 10 0 BEAERO Cn1cc([C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000116310038 386942644 /nfs/dbraw/zinc/94/26/44/386942644.db2.gz IWPWXPWEPLBCSW-ZDUSSCGKSA-N 1 0 233.359 2.400 10 0 BEAERO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000398699632 386953799 /nfs/dbraw/zinc/95/37/99/386953799.db2.gz SLOXQRJVPYSGAL-NFAWXSAZSA-N 1 0 245.366 2.277 10 0 BEAERO CCc1cc(N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc[nH+]1 ZINC000398736326 386976192 /nfs/dbraw/zinc/97/61/92/386976192.db2.gz DRNQAZQESARSDV-YWPYICTPSA-N 1 0 246.354 2.241 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC000398766779 386988983 /nfs/dbraw/zinc/98/89/83/386988983.db2.gz FEQYACMUPGBGHA-RWMBFGLXSA-N 1 0 229.339 2.219 10 0 BEAERO OC[C@H]1Cc2occc2[C@H](C2CCCCC2)[NH2+]1 ZINC000575407940 387008975 /nfs/dbraw/zinc/00/89/75/387008975.db2.gz VVWZIFXAGMUNLB-RISCZKNCSA-N 1 0 235.327 2.408 10 0 BEAERO CC1(C)C[NH2+]C[C@H](c2ccc(F)cc2)O1 ZINC000011803114 386994069 /nfs/dbraw/zinc/99/40/69/386994069.db2.gz AONBUGKSZPVRIM-LLVKDONJSA-N 1 0 209.264 2.265 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@]12C[C@@H]1CCC2 ZINC000575463390 387043223 /nfs/dbraw/zinc/04/32/23/387043223.db2.gz VDYVPOKQCQTJAP-JSGCOSHPSA-N 1 0 229.327 2.243 10 0 BEAERO Cc1ncsc1-c1cnc(C[NH3+])s1 ZINC000575463492 387043722 /nfs/dbraw/zinc/04/37/22/387043722.db2.gz NEQDSSYUGPRVLQ-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO CC[C@H]([NH2+]CCn1cc(C)cn1)[C@H]1C[C@H]1C ZINC000321993767 387011120 /nfs/dbraw/zinc/01/11/20/387011120.db2.gz FMDMPGPIDCMQBO-AGIUHOORSA-N 1 0 221.348 2.216 10 0 BEAERO CC(C)C(C)(C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000648022947 387019256 /nfs/dbraw/zinc/01/92/56/387019256.db2.gz UVOVIGDWAPQILG-LLVKDONJSA-N 1 0 226.364 2.069 10 0 BEAERO Cc1ncc([C@@H]([NH3+])[C@@H]2CCCS2)s1 ZINC000575456207 387026962 /nfs/dbraw/zinc/02/69/62/387026962.db2.gz GCYKARIWIUZKIW-CBAPKCEASA-N 1 0 214.359 2.347 10 0 BEAERO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)C1CC1 ZINC000020137941 387074301 /nfs/dbraw/zinc/07/43/01/387074301.db2.gz SFFMBBXXDZABAI-JQWIXIFHSA-N 1 0 233.311 2.215 10 0 BEAERO COc1cc(F)ccc1[C@H]([NH3+])CC(F)F ZINC000575437101 387105081 /nfs/dbraw/zinc/10/50/81/387105081.db2.gz NRYNNTCJXYRUEX-MRVPVSSYSA-N 1 0 219.206 2.489 10 0 BEAERO COC(=O)c1ccc([C@H]([NH3+])CC(F)F)cc1 ZINC000575437565 387108862 /nfs/dbraw/zinc/10/88/62/387108862.db2.gz YWZIJSLQKOPAOM-SECBINFHSA-N 1 0 229.226 2.128 10 0 BEAERO COc1cccc(F)c1[C@@H]([NH3+])CC(F)F ZINC000575437907 387111836 /nfs/dbraw/zinc/11/18/36/387111836.db2.gz XZYBQDXIOLMLOR-ZETCQYMHSA-N 1 0 219.206 2.489 10 0 BEAERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000335026026 387117883 /nfs/dbraw/zinc/11/78/83/387117883.db2.gz ROWMZQGDORMZHJ-QWHCGFSZSA-N 1 0 209.333 2.430 10 0 BEAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000335026024 387118045 /nfs/dbraw/zinc/11/80/45/387118045.db2.gz ROWMZQGDORMZHJ-OLZOCXBDSA-N 1 0 209.333 2.430 10 0 BEAERO CC(C)[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000119330074 387118348 /nfs/dbraw/zinc/11/83/48/387118348.db2.gz DEQSGTCMXKNVBZ-BETUJISGSA-N 1 0 227.348 2.055 10 0 BEAERO CSCCCC[NH2+]Cc1cccn1C ZINC000119330767 387119476 /nfs/dbraw/zinc/11/94/76/387119476.db2.gz YVEUSTFISWSNQZ-UHFFFAOYSA-N 1 0 212.362 2.258 10 0 BEAERO COc1cccc([C@H]([NH3+])CCF)c1OC ZINC000575438932 387122279 /nfs/dbraw/zinc/12/22/79/387122279.db2.gz ONKPMBAHIOGEOX-SECBINFHSA-N 1 0 213.252 2.063 10 0 BEAERO COc1cc(F)c([C@H]([NH3+])CCF)c(F)c1 ZINC000575439678 387125615 /nfs/dbraw/zinc/12/56/15/387125615.db2.gz UHJFXLQFLURGEK-SECBINFHSA-N 1 0 219.206 2.333 10 0 BEAERO [NH3+]CCC[C@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575440116 387127752 /nfs/dbraw/zinc/12/77/52/387127752.db2.gz IUXQQDXVRQRBBC-VIFPVBQESA-N 1 0 249.141 2.438 10 0 BEAERO CCC[C@H]1C[NH2+]C[C@H]1c1ccn(CC)n1 ZINC000536951758 387163390 /nfs/dbraw/zinc/16/33/90/387163390.db2.gz VPTQWJKAWPOSTK-WDEREUQCSA-N 1 0 207.321 2.006 10 0 BEAERO Oc1ccc([C@@H]2C[NH2+]CC23CCC3)cc1 ZINC000536950981 387163848 /nfs/dbraw/zinc/16/38/48/387163848.db2.gz YMCGVBWPLSOATO-LBPRGKRZSA-N 1 0 203.285 2.249 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])C1(CO)CCC1 ZINC000536953019 387165652 /nfs/dbraw/zinc/16/56/52/387165652.db2.gz GNMSSWCKWHRMEC-ZDUSSCGKSA-N 1 0 219.328 2.200 10 0 BEAERO CC(C)[C@H](C)c1nc2n(c1C[NH3+])CCCC2 ZINC000536956032 387169492 /nfs/dbraw/zinc/16/94/92/387169492.db2.gz WVUNNJAMWFTDCM-JTQLQIEISA-N 1 0 221.348 2.438 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])CN1C/C(Cl)=C\Cl ZINC000575480087 387169701 /nfs/dbraw/zinc/16/97/01/387169701.db2.gz GZNXSYHLRORWIV-YEPVEMNMSA-N 1 0 223.147 2.117 10 0 BEAERO CNC(=[NH2+])Nc1c(C)cccc1Br ZINC000575483031 387186073 /nfs/dbraw/zinc/18/60/73/387186073.db2.gz ZMBWPAKLHBWMCM-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO CC(C)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000217120902 387239595 /nfs/dbraw/zinc/23/95/95/387239595.db2.gz CUJULBUUCLUYIE-MNOVXSKESA-N 1 0 242.363 2.288 10 0 BEAERO Cc1ccc(N2CCC([NH2+]CC3CC3)CC2)nc1 ZINC000097604661 387251349 /nfs/dbraw/zinc/25/13/49/387251349.db2.gz GBNFXJVUDPUANH-UHFFFAOYSA-N 1 0 245.370 2.358 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CC)CC1CCC1 ZINC000230327985 387264136 /nfs/dbraw/zinc/26/41/36/387264136.db2.gz SHTBMCGSGQBWJG-AWEZNQCLSA-N 1 0 243.391 2.286 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000392858729 387294192 /nfs/dbraw/zinc/29/41/92/387294192.db2.gz IFLNAGSXFXHWTM-AAEUAGOBSA-N 1 0 236.359 2.134 10 0 BEAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392908212 387301424 /nfs/dbraw/zinc/30/14/24/387301424.db2.gz YKYMXWBTLUTDOQ-ZDEQEGDKSA-N 1 0 240.391 2.458 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)[C@H](C)C1 ZINC000392940380 387302749 /nfs/dbraw/zinc/30/27/49/387302749.db2.gz OXNOIBVHNLSUAC-NJMOYASZSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392933735 387303138 /nfs/dbraw/zinc/30/31/38/387303138.db2.gz LPFLDZJWSMXMFQ-KXNHARMFSA-N 1 0 238.375 2.068 10 0 BEAERO [NH3+]CC1([C@H](O)c2ccccc2Cl)CC1 ZINC000259562547 387303571 /nfs/dbraw/zinc/30/35/71/387303571.db2.gz VQLJUBPCPZTNCG-SNVBAGLBSA-N 1 0 211.692 2.112 10 0 BEAERO CCO[C@H]1C[C@@H]([N@H+](C)CCOC)C12CCCC2 ZINC000121161675 387304183 /nfs/dbraw/zinc/30/41/83/387304183.db2.gz HGJGFNACDWJVCN-OLZOCXBDSA-N 1 0 241.375 2.302 10 0 BEAERO C[NH2+][C@@H]1CO[C@@H](c2ccc(Br)o2)C1 ZINC000575507935 387369226 /nfs/dbraw/zinc/36/92/26/387369226.db2.gz OAVYMFQFXYQXCT-POYBYMJQSA-N 1 0 246.104 2.092 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]2[C@H]2C[C@@H]2[NH3+])cc1 ZINC000575601785 387369421 /nfs/dbraw/zinc/36/94/21/387369421.db2.gz CPDIIKRAXWDCDS-RVMXOQNASA-N 1 0 203.285 2.146 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2cc(Cl)cs2)C1 ZINC000575506461 387372475 /nfs/dbraw/zinc/37/24/75/387372475.db2.gz AHPFERQKRSVZDE-RNFRBKRXSA-N 1 0 203.694 2.190 10 0 BEAERO C[NH2+][C@H]1CO[C@H](c2ccsc2Cl)C1 ZINC000575507723 387381365 /nfs/dbraw/zinc/38/13/65/387381365.db2.gz MPYMIAQNRZEOLN-SVRRBLITSA-N 1 0 217.721 2.451 10 0 BEAERO CC[C@@H]([NH2+]CCn1cncn1)c1cccc(C)c1 ZINC000286263141 387320766 /nfs/dbraw/zinc/32/07/66/387320766.db2.gz UZTKAQSNJIKUJU-CQSZACIVSA-N 1 0 244.342 2.327 10 0 BEAERO CC[C@H]([NH2+]CCn1cncn1)c1cccc(C)c1 ZINC000286263139 387320996 /nfs/dbraw/zinc/32/09/96/387320996.db2.gz UZTKAQSNJIKUJU-AWEZNQCLSA-N 1 0 244.342 2.327 10 0 BEAERO CC[C@]1(C)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121393204 387344302 /nfs/dbraw/zinc/34/43/02/387344302.db2.gz UJTZNISAXKJAJB-VHSXEESVSA-N 1 0 239.281 2.422 10 0 BEAERO C[C@@]1(c2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000575499144 387344306 /nfs/dbraw/zinc/34/43/06/387344306.db2.gz FXYBVZGUCZZJLW-OIBJUYFYSA-N 1 0 241.132 2.080 10 0 BEAERO C[C@H]1C[C@](F)(c2ccns2)CC[NH2+]1 ZINC000575515712 387423943 /nfs/dbraw/zinc/42/39/43/387423943.db2.gz SKSZESGHHBEOGW-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@]1(F)c1cncs1 ZINC000575517708 387434544 /nfs/dbraw/zinc/43/45/44/387434544.db2.gz HVRZXNDAOKXSKQ-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO N[C@@H](C[NH3+])c1cccc(Oc2ccccc2)c1 ZINC000035677107 387437571 /nfs/dbraw/zinc/43/75/71/387437571.db2.gz GHBHZJDTNBYFHH-AWEZNQCLSA-N 1 0 228.295 2.437 10 0 BEAERO [NH3+][C@H](C(=O)Nc1ccsc1Cl)C1CC1 ZINC000306577435 387438097 /nfs/dbraw/zinc/43/80/97/387438097.db2.gz LINJYSWHNVKSEX-ZETCQYMHSA-N 1 0 230.720 2.077 10 0 BEAERO Cc1ncsc1[C@]1(F)CC[C@@H]([NH3+])C1 ZINC000575513872 387388151 /nfs/dbraw/zinc/38/81/51/387388151.db2.gz AKLPNRAKRLFQOJ-APPZFPTMSA-N 1 0 200.282 2.128 10 0 BEAERO [NH3+]Cc1coc(-c2occc2Br)n1 ZINC000575509130 387392807 /nfs/dbraw/zinc/39/28/07/387392807.db2.gz VICKVDPVVHTPNT-UHFFFAOYSA-N 1 0 243.060 2.156 10 0 BEAERO CC[C@H](O)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000373952984 387407195 /nfs/dbraw/zinc/40/71/95/387407195.db2.gz AEXIKMFZGIGXKS-UWVGGRQHSA-N 1 0 226.345 2.051 10 0 BEAERO Cc1nc(C[N@@H+]2CCCC[C@@H](CO)C2)cs1 ZINC000374051146 387414984 /nfs/dbraw/zinc/41/49/84/387414984.db2.gz PVMIVIHHWFTDPO-LLVKDONJSA-N 1 0 240.372 2.046 10 0 BEAERO C[NH+](C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000042246080 387508924 /nfs/dbraw/zinc/50/89/24/387508924.db2.gz LXZIUNWZCWFKGX-CQSZACIVSA-N 1 0 215.296 2.435 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1ccsc1Br ZINC000575541161 387585704 /nfs/dbraw/zinc/58/57/04/387585704.db2.gz BLVZGMIQNCKDBP-WDSKDSINSA-N 1 0 218.119 2.325 10 0 BEAERO Clc1sccc1NCC1C[NH2+]C1 ZINC000575542660 387592670 /nfs/dbraw/zinc/59/26/70/387592670.db2.gz YBRIBIIOHOPJPZ-UHFFFAOYSA-N 1 0 202.710 2.033 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)C2CCCC2)c1 ZINC000124081296 387604654 /nfs/dbraw/zinc/60/46/54/387604654.db2.gz CVMTYABBOFAIBT-LBPRGKRZSA-N 1 0 221.348 2.360 10 0 BEAERO CC(C)CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122862283 387608883 /nfs/dbraw/zinc/60/88/83/387608883.db2.gz RSOOPLJDFOUJNC-OLZOCXBDSA-N 1 0 240.391 2.364 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cncs1 ZINC000124358008 387613632 /nfs/dbraw/zinc/61/36/32/387613632.db2.gz STUSNBSZZZJIOA-CMPLNLGQSA-N 1 0 240.372 2.294 10 0 BEAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCO)o1 ZINC000124688615 387629603 /nfs/dbraw/zinc/62/96/03/387629603.db2.gz NUICBUQDQGFSCR-GFCCVEGCSA-N 1 0 223.316 2.497 10 0 BEAERO c1ccc([C@@H]2C[C@@H]3[NH2+]CCC[C@@H]3O2)cc1 ZINC000319639076 387547865 /nfs/dbraw/zinc/54/78/65/387547865.db2.gz BYHKVRAIUQZFCW-AVGNSLFASA-N 1 0 203.285 2.269 10 0 BEAERO C[NH2+][C@@H]1COC[C@H]1c1ccsc1Cl ZINC000575531555 387549344 /nfs/dbraw/zinc/54/93/44/387549344.db2.gz PUUDVCQDBAEHGP-JGVFFNPUSA-N 1 0 217.721 2.103 10 0 BEAERO CCCn1cc(C[NH2+]CCc2cccnc2)cn1 ZINC000116913242 387549932 /nfs/dbraw/zinc/54/99/32/387549932.db2.gz DLZPDRRIKBTXPP-UHFFFAOYSA-N 1 0 244.342 2.020 10 0 BEAERO CC(C)C(=[NH2+])N[C@H]1CC[C@@H](C)SC1 ZINC000575533648 387553499 /nfs/dbraw/zinc/55/34/99/387553499.db2.gz CHIRTIWFNJLBJA-BDAKNGLRSA-N 1 0 200.351 2.493 10 0 BEAERO Cc1cccc(C2CC([NH2+][C@@H](C)CO)C2)c1 ZINC000036846550 387555322 /nfs/dbraw/zinc/55/53/22/387555322.db2.gz QUVNWNDCIZQVAZ-XGNXJENSSA-N 1 0 219.328 2.211 10 0 BEAERO C[C@H]1C[NH2+][C@@]2(CC[C@@H](C)SC2)S1 ZINC000575533704 387555402 /nfs/dbraw/zinc/55/54/02/387555402.db2.gz DYYLPPORJHSOEM-VGMNWLOBSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@@H]1CS[C@]2(CC[C@H](C)SC2)[NH2+]1 ZINC000575534367 387556242 /nfs/dbraw/zinc/55/62/42/387556242.db2.gz IWYMWHQZTYUXMF-VGMNWLOBSA-N 1 0 203.376 2.323 10 0 BEAERO [NH3+]C1(Cc2ccc(Cl)s2)CSC1 ZINC000575548588 387644939 /nfs/dbraw/zinc/64/49/39/387644939.db2.gz FOAOMAUMFITCTN-UHFFFAOYSA-N 1 0 219.762 2.388 10 0 BEAERO [NH3+]C1(c2cccc(Br)c2)CSC1 ZINC000575553832 387657971 /nfs/dbraw/zinc/65/79/71/387657971.db2.gz KAOVVYSLBHUXIO-UHFFFAOYSA-N 1 0 244.157 2.350 10 0 BEAERO COC[C@H]([NH2+][C@H](CC(C)C)CN(C)C)C(C)C ZINC000126354901 387679617 /nfs/dbraw/zinc/67/96/17/387679617.db2.gz YRUFFUJZWDHKAW-KGLIPLIRSA-N 1 0 244.423 2.223 10 0 BEAERO CC[C@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000126457133 387682088 /nfs/dbraw/zinc/68/20/88/387682088.db2.gz MTDTVKGJZQSUMK-QWHCGFSZSA-N 1 0 236.363 2.227 10 0 BEAERO CC[C@H]1CCC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000126456803 387683265 /nfs/dbraw/zinc/68/32/65/387683265.db2.gz MTDTVKGJZQSUMK-STQMWFEESA-N 1 0 236.363 2.227 10 0 BEAERO c1cn(CCC[NH2+]CC2CCCCCC2)nn1 ZINC000126611353 387691685 /nfs/dbraw/zinc/69/16/85/387691685.db2.gz HYYLOPJLUBKHEP-UHFFFAOYSA-N 1 0 236.363 2.228 10 0 BEAERO CC[NH+](CC)CCN1C[C@H]2CCCC[C@H]21 ZINC000377757349 387747487 /nfs/dbraw/zinc/74/74/87/387747487.db2.gz DVSQKISDYUQWQH-CHWSQXEVSA-N 1 0 210.365 2.203 10 0 BEAERO Cc1nc([C@@]2([NH3+])CS[C@@H](C)C2)cs1 ZINC000575572900 387752079 /nfs/dbraw/zinc/75/20/79/387752079.db2.gz RWVLVOUBVLXVBZ-RCOVLWMOSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@H]1CC[C@@]([NH3+])(c2ccsn2)CS1 ZINC000575573657 387756673 /nfs/dbraw/zinc/75/66/73/387756673.db2.gz ZAKFPCHRQFPLBQ-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO C[C@@H]1CC[C@]([NH3+])(c2cnsc2)CS1 ZINC000575573312 387754196 /nfs/dbraw/zinc/75/41/96/387754196.db2.gz XARUJMYOTWVSOO-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO CC[C@@H](C)C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000128693393 387754696 /nfs/dbraw/zinc/75/46/96/387754696.db2.gz QDPJQBCTKXKTAI-SECBINFHSA-N 1 0 225.288 2.202 10 0 BEAERO C[C@@H]1CSC[C@@]1([NH3+])Cc1cccs1 ZINC000575561888 387700787 /nfs/dbraw/zinc/70/07/87/387700787.db2.gz VDOLUJDQDHGMOJ-SCZZXKLOSA-N 1 0 213.371 2.371 10 0 BEAERO Cc1cc(C)cc(Cn2cc(C[C@H](C)[NH3+])cn2)c1 ZINC000054741442 177903697 /nfs/dbraw/zinc/90/36/97/177903697.db2.gz XPCNOBFBOLBRKR-ZDUSSCGKSA-N 1 0 243.354 2.438 10 0 BEAERO CC[C@@](C)([NH3+])c1cncc(Br)c1 ZINC000575562402 387704505 /nfs/dbraw/zinc/70/45/05/387704505.db2.gz ZPLGRPUCXHEZDH-SECBINFHSA-N 1 0 229.121 2.428 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])Cc1ccncc1Br ZINC000575562774 387704609 /nfs/dbraw/zinc/70/46/09/387704609.db2.gz DDPXKJMYLYYCPU-GMSGAONNSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@H]1C[C@@]([NH3+])(c2sccc2Cl)CO1 ZINC000575564210 387705924 /nfs/dbraw/zinc/70/59/24/387705924.db2.gz DGPGGJGOOLXYQX-RCOVLWMOSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@@H]1COC[C@]1([NH3+])c1sccc1Cl ZINC000575568954 387730551 /nfs/dbraw/zinc/73/05/51/387730551.db2.gz GHTYMLSQILNRES-HZGVNTEJSA-N 1 0 217.721 2.222 10 0 BEAERO C[C@H](CF)Nc1cc(N)[nH+]cc1Br ZINC000575568710 387731180 /nfs/dbraw/zinc/73/11/80/387731180.db2.gz AMACDHXDOOKYIH-RXMQYKEDSA-N 1 0 248.099 2.027 10 0 BEAERO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000129085825 387761840 /nfs/dbraw/zinc/76/18/40/387761840.db2.gz XHRFFYCUUOWBHI-RISCZKNCSA-N 1 0 237.318 2.385 10 0 BEAERO [NH3+]Cc1csc(-c2ccccc2F)n1 ZINC000040999551 387774020 /nfs/dbraw/zinc/77/40/20/387774020.db2.gz YVCAROIRVMMNRR-UHFFFAOYSA-N 1 0 208.261 2.408 10 0 BEAERO CCC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1 ZINC000050393651 387794554 /nfs/dbraw/zinc/79/45/54/387794554.db2.gz HCBGBHQUUWGMEK-UONOGXRCSA-N 1 0 246.354 2.396 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(c2ccsn2)CS1 ZINC000575573656 387757065 /nfs/dbraw/zinc/75/70/65/387757065.db2.gz ZAKFPCHRQFPLBQ-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO CC(C)[C@H](C)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000157174901 387761681 /nfs/dbraw/zinc/76/16/81/387761681.db2.gz HKDIUPNYXXPMPQ-LBPRGKRZSA-N 1 0 243.395 2.013 10 0 BEAERO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000528017904 387825505 /nfs/dbraw/zinc/82/55/05/387825505.db2.gz JEHMVKPRTLRERN-XVSSEFHLSA-N 1 0 211.349 2.316 10 0 BEAERO CCc1nnc(C[NH2+][C@H]2CC3CCC2CC3)n1C ZINC000433001504 387847763 /nfs/dbraw/zinc/84/77/63/387847763.db2.gz IJUCFJRYQRWTOB-MCIGGMRASA-N 1 0 248.374 2.046 10 0 BEAERO Cc1cc(C)c([C@H](CO)[NH2+]C2CC2)cc1C ZINC000071521937 177874760 /nfs/dbraw/zinc/87/47/60/177874760.db2.gz CCWMARPLIWKSQQ-AWEZNQCLSA-N 1 0 219.328 2.397 10 0 BEAERO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000422965502 387816302 /nfs/dbraw/zinc/81/63/02/387816302.db2.gz OXJFOHLXJSOMJC-YIBTVLSRSA-N 1 0 220.316 2.213 10 0 BEAERO C[NH2+][C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000036460132 387876320 /nfs/dbraw/zinc/87/63/20/387876320.db2.gz URJHONVAMMIWCR-CQSZACIVSA-N 1 0 218.344 2.261 10 0 BEAERO Cc1cc(C)c(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000104213018 177865567 /nfs/dbraw/zinc/86/55/67/177865567.db2.gz KRUUTMXZDVMNLL-OLZOCXBDSA-N 1 0 246.354 2.406 10 0 BEAERO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)[C@H]1C[C@@H]1C ZINC000321889794 387918583 /nfs/dbraw/zinc/91/85/83/387918583.db2.gz LDQDEFSSZVIOMI-BPNCWPANSA-N 1 0 238.375 2.022 10 0 BEAERO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)[C@@H]1C[C@@H]1C ZINC000321889795 387918628 /nfs/dbraw/zinc/91/86/28/387918628.db2.gz LDQDEFSSZVIOMI-GDLCADMTSA-N 1 0 238.375 2.022 10 0 BEAERO COC(=O)c1cccnc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000459371143 387934339 /nfs/dbraw/zinc/93/43/39/387934339.db2.gz ROOWPVYGBDYKAL-GHMZBOCLSA-N 1 0 248.326 2.241 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)[C@H]1C[C@@H]1C ZINC000321034235 387935199 /nfs/dbraw/zinc/93/51/99/387935199.db2.gz DGOVODOQKIDSAM-CRWXNKLISA-N 1 0 224.392 2.495 10 0 BEAERO COC[C@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000178066833 387921421 /nfs/dbraw/zinc/92/14/21/387921421.db2.gz UAZLNIGGHULWAO-STQMWFEESA-N 1 0 237.343 2.216 10 0 BEAERO O[C@]1(c2ccsc2Cl)CCC[NH2+]CC1 ZINC000306314730 387964441 /nfs/dbraw/zinc/96/44/41/387964441.db2.gz PVYKFOXHRDKMGH-SNVBAGLBSA-N 1 0 231.748 2.363 10 0 BEAERO C[NH+](C)[C@@H](CNCC(F)(F)F)c1ccccc1 ZINC000053994422 387975034 /nfs/dbraw/zinc/97/50/34/387975034.db2.gz CARYULKRJBLORG-NSHDSACASA-N 1 0 246.276 2.441 10 0 BEAERO Cc1cccc(C[N@@H+]2CCC[C@H]2CCCO)n1 ZINC000080961119 388004059 /nfs/dbraw/zinc/00/40/59/388004059.db2.gz PNHMCLINPPMJOT-AWEZNQCLSA-N 1 0 234.343 2.127 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C/C=C/Cl ZINC000246097188 388009420 /nfs/dbraw/zinc/00/94/20/388009420.db2.gz OIFFEVFWAOCBHP-XCOQAZTISA-N 1 0 228.767 2.298 10 0 BEAERO C[NH2+][C@@]1(c2nc(C)c(C)s2)CCSC1 ZINC000041060586 388018099 /nfs/dbraw/zinc/01/80/99/388018099.db2.gz WBYQFZLRAPYZIO-JTQLQIEISA-N 1 0 228.386 2.312 10 0 BEAERO Cc1c[nH+]ccc1NC[C@@H]1CCCC[C@@H]1O ZINC000082997456 388044451 /nfs/dbraw/zinc/04/44/51/388044451.db2.gz PBDFQNKWDZPSFK-AAEUAGOBSA-N 1 0 220.316 2.353 10 0 BEAERO CN(Cc1cccs1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000040989283 388029116 /nfs/dbraw/zinc/02/91/16/388029116.db2.gz PXAZIACTDRVCIK-WDEREUQCSA-N 1 0 210.346 2.060 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccncc2)C1 ZINC000246303113 388029403 /nfs/dbraw/zinc/02/94/03/388029403.db2.gz VMCCPKGBKCRJMM-VNHYZAJKSA-N 1 0 247.386 2.461 10 0 BEAERO Cc1cc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)on1 ZINC000083704376 388059151 /nfs/dbraw/zinc/05/91/51/388059151.db2.gz ZUDUXFXBBWLIJM-STQMWFEESA-N 1 0 249.358 2.042 10 0 BEAERO CC(C)C[N@H+](Cc1nnnn1C(C)C)C(C)C ZINC000195067669 388089490 /nfs/dbraw/zinc/08/94/90/388089490.db2.gz RSHCIQUGJPNBLW-UHFFFAOYSA-N 1 0 239.367 2.120 10 0 BEAERO Cc1cc(C)c(C)c([C@H](O)[C@H](C)[NH3+])c1C ZINC000071510748 388095894 /nfs/dbraw/zinc/09/58/94/388095894.db2.gz VHYBPWKHGQEMRG-WCQYABFASA-N 1 0 207.317 2.301 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C(C)C)C1CC1 ZINC000195146631 388097508 /nfs/dbraw/zinc/09/75/08/388097508.db2.gz IAOCZJJNBZTURY-ZDUSSCGKSA-N 1 0 229.364 2.037 10 0 BEAERO [NH3+][C@H]1CCc2nc(-c3cccnc3)sc2C1 ZINC000071535432 388098635 /nfs/dbraw/zinc/09/86/35/388098635.db2.gz LEFRRGDLDRHNDY-VIFPVBQESA-N 1 0 231.324 2.021 10 0 BEAERO CC[C@H]([NH2+]Cc1nccn1C)C(C)(C)C ZINC000163912238 388099152 /nfs/dbraw/zinc/09/91/52/388099152.db2.gz WQTHHNIKDOXAJA-JTQLQIEISA-N 1 0 209.337 2.334 10 0 BEAERO FC(F)(F)c1ccc(C[C@H]2COCC[NH2+]2)cc1 ZINC000071559592 388099426 /nfs/dbraw/zinc/09/94/26/388099426.db2.gz KTZJLUZNWTZOQG-NSHDSACASA-N 1 0 245.244 2.236 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C(C)C)C1CCC1 ZINC000195189411 388115827 /nfs/dbraw/zinc/11/58/27/388115827.db2.gz DRUDBWHUDXVAHC-CQSZACIVSA-N 1 0 243.391 2.427 10 0 BEAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CO ZINC000086616790 388104860 /nfs/dbraw/zinc/10/48/60/388104860.db2.gz NLMNYDRKJZCPKP-VXGBXAGGSA-N 1 0 237.343 2.364 10 0 BEAERO CCCCOC[C@H](O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000195183508 388115903 /nfs/dbraw/zinc/11/59/03/388115903.db2.gz WMZAOPVXDZOXTF-RWMBFGLXSA-N 1 0 229.364 2.037 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1CC1 ZINC000086931232 388111308 /nfs/dbraw/zinc/11/13/08/388111308.db2.gz BAQOKBBMUCMRHF-UONOGXRCSA-N 1 0 222.376 2.345 10 0 BEAERO [NH3+]Cc1cnc(-c2ccc(Cl)s2)nc1 ZINC000306667560 388112528 /nfs/dbraw/zinc/11/25/28/388112528.db2.gz DVUWNSNSRZEDMB-UHFFFAOYSA-N 1 0 225.704 2.317 10 0 BEAERO CC[N@H+](Cc1nnnn1C(C)C)[C@H](C)C(C)C ZINC000195432741 388163945 /nfs/dbraw/zinc/16/39/45/388163945.db2.gz YERXKVCTASVXHI-LLVKDONJSA-N 1 0 239.367 2.120 10 0 BEAERO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089106 388139757 /nfs/dbraw/zinc/13/97/57/388139757.db2.gz HRQPANSOZFONAU-YNEHKIRRSA-N 1 0 248.374 2.212 10 0 BEAERO CC(C)c1noc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000646093545 388141305 /nfs/dbraw/zinc/14/13/05/388141305.db2.gz BYVBFGYKQZUNRM-HBNTYKKESA-N 1 0 235.331 2.471 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnn(CC)c1 ZINC000165054216 388250138 /nfs/dbraw/zinc/25/01/38/388250138.db2.gz OIBXBRPUYHJSRK-NEPJUHHUSA-N 1 0 207.321 2.181 10 0 BEAERO CC[C@H]([NH2+]Cc1ccnn1C)C(C)(C)C ZINC000165111489 388250446 /nfs/dbraw/zinc/25/04/46/388250446.db2.gz DKHRGWHNMYGRPY-NSHDSACASA-N 1 0 209.337 2.334 10 0 BEAERO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336662049 388260121 /nfs/dbraw/zinc/26/01/21/388260121.db2.gz CVZLQBOEHUTFFX-IRCOFANPSA-N 1 0 249.395 2.217 10 0 BEAERO C[NH+](C)CCNc1ccc(Cl)cc1F ZINC000042221182 388274718 /nfs/dbraw/zinc/27/47/18/388274718.db2.gz VKCKZFZSSXXROE-UHFFFAOYSA-N 1 0 216.687 2.453 10 0 BEAERO [NH3+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000042303276 388276801 /nfs/dbraw/zinc/27/68/01/388276801.db2.gz UAXZIPZRFQBHSX-UHFFFAOYSA-N 1 0 207.607 2.400 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000233490103 388347173 /nfs/dbraw/zinc/34/71/73/388347173.db2.gz WTFSSGLHUNOCBB-ROKHWSDSSA-N 1 0 224.392 2.495 10 0 BEAERO C[C@@H]1CS[C@@H]2CC(F)(F)CC[C@@H]2[NH2+]1 ZINC000575521182 388357139 /nfs/dbraw/zinc/35/71/39/388357139.db2.gz YARWSNZULMWZPT-GJMOJQLCSA-N 1 0 207.289 2.268 10 0 BEAERO CC[NH+]1CCC(CCc2c[nH]cn2)CC1 ZINC000013612839 388404886 /nfs/dbraw/zinc/40/48/86/388404886.db2.gz QWJFDDXRCODOFF-UHFFFAOYSA-N 1 0 207.321 2.074 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1C[C@@H]2CC[C@H]2C1 ZINC000575525513 388359420 /nfs/dbraw/zinc/35/94/20/388359420.db2.gz KDGWDKJPHFYCLO-STQMWFEESA-N 1 0 229.327 2.053 10 0 BEAERO CCSCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000164023270 388372504 /nfs/dbraw/zinc/37/25/04/388372504.db2.gz FFJGGCDBYIIBHU-GHMZBOCLSA-N 1 0 217.378 2.023 10 0 BEAERO c1nc2ccccc2n1C[NH+]1CCCC1 ZINC000008463008 388405479 /nfs/dbraw/zinc/40/54/79/388405479.db2.gz AUKUDHWDLULGGT-UHFFFAOYSA-N 1 0 201.273 2.090 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@@H](C)C1 ZINC000646534078 388377061 /nfs/dbraw/zinc/37/70/61/388377061.db2.gz UADKDSUVTYWQFL-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1nnc(C[NH2+][C@@H]2CCC[C@H]2CCF)s1 ZINC000393788691 388442222 /nfs/dbraw/zinc/44/22/22/388442222.db2.gz BXYPOXVDJLZOSA-VHSXEESVSA-N 1 0 243.351 2.464 10 0 BEAERO Cc1ccc(N[C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000335043103 388448635 /nfs/dbraw/zinc/44/86/35/388448635.db2.gz NEOYCZOFRSECLX-NEPJUHHUSA-N 1 0 204.317 2.405 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C1CCC1 ZINC000336326606 388455913 /nfs/dbraw/zinc/45/59/13/388455913.db2.gz SOMJAEVNRGAJIC-GXSJLCMTSA-N 1 0 219.332 2.045 10 0 BEAERO Cc1cc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)cs1 ZINC000295095641 388408971 /nfs/dbraw/zinc/40/89/71/388408971.db2.gz UHLXWADDQLSXSZ-CMPLNLGQSA-N 1 0 225.357 2.402 10 0 BEAERO CCCc1nsc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000165739216 388410532 /nfs/dbraw/zinc/41/05/32/388410532.db2.gz JUUVEQNVJWLOHE-HTQZYQBOSA-N 1 0 228.365 2.028 10 0 BEAERO CC[NH2+]Cc1occc1Br ZINC000069049551 388412784 /nfs/dbraw/zinc/41/27/84/388412784.db2.gz MNIXVDDFBWFCIB-UHFFFAOYSA-N 1 0 204.067 2.152 10 0 BEAERO CCOCCn1c2ccccc2nc1[C@H](C)[NH3+] ZINC000040163834 388413015 /nfs/dbraw/zinc/41/30/15/388413015.db2.gz QOHMKQMCRRAWEX-JTQLQIEISA-N 1 0 233.315 2.093 10 0 BEAERO Clc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000252513046 388419491 /nfs/dbraw/zinc/41/94/91/388419491.db2.gz IXZQIJAHIBXHKW-NSHDSACASA-N 1 0 237.734 2.019 10 0 BEAERO CCN1CCC[C@@H]1C[N@H+](C)CCCCCOC ZINC000175330082 388429457 /nfs/dbraw/zinc/42/94/57/388429457.db2.gz ISDOOCBBSOUBDN-CQSZACIVSA-N 1 0 242.407 2.219 10 0 BEAERO CCN1CCC[C@H]1C[N@H+](C)CCCCCOC ZINC000175330104 388429542 /nfs/dbraw/zinc/42/95/42/388429542.db2.gz ISDOOCBBSOUBDN-AWEZNQCLSA-N 1 0 242.407 2.219 10 0 BEAERO COc1ncccc1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322334497 388432604 /nfs/dbraw/zinc/43/26/04/388432604.db2.gz PPHOGBXIRGDWAV-UMNHJUIQSA-N 1 0 220.316 2.224 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000322331647 388432768 /nfs/dbraw/zinc/43/27/68/388432768.db2.gz NXHSKIGSACVRIR-RXGFPQBGSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC000528520182 388540808 /nfs/dbraw/zinc/54/08/08/388540808.db2.gz NRIVTVBRIYVMCV-CMPLNLGQSA-N 1 0 211.349 2.268 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1nncn1C)[C@@H]1CC1(C)C ZINC000397653100 388487632 /nfs/dbraw/zinc/48/76/32/388487632.db2.gz BBBYWYLLJUXIAM-DCAQKATOSA-N 1 0 236.363 2.290 10 0 BEAERO CC[C@H]([NH2+]Cc1nncn1CC)[C@H]1CC1(C)C ZINC000397654867 388488098 /nfs/dbraw/zinc/48/80/98/388488098.db2.gz BLRNNAPBAIBRLJ-MNOVXSKESA-N 1 0 236.363 2.212 10 0 BEAERO CC[C@@H]([NH2+]C(COC)COC)[C@@H]1CC1(C)C ZINC000397689474 388490652 /nfs/dbraw/zinc/49/06/52/388490652.db2.gz MSQXYHUDVUHUSL-NWDGAFQWSA-N 1 0 229.364 2.062 10 0 BEAERO CC[C@@H]([NH2+]CCc1nc(C)no1)[C@@H]1CC1(C)C ZINC000397776295 388497849 /nfs/dbraw/zinc/49/78/49/388497849.db2.gz WFOBEIHCMGAOCF-WDEREUQCSA-N 1 0 237.347 2.335 10 0 BEAERO COc1cc(F)cc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000312285692 388511574 /nfs/dbraw/zinc/51/15/74/388511574.db2.gz QMIQSEBLLPILPN-QPUJVOFHSA-N 1 0 209.264 2.332 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccnn1C ZINC000219286341 388590203 /nfs/dbraw/zinc/59/02/03/388590203.db2.gz SNXPXHDBJZAWSI-AXFHLTTASA-N 1 0 207.321 2.259 10 0 BEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CCCCO1 ZINC000379251434 388603734 /nfs/dbraw/zinc/60/37/34/388603734.db2.gz FSMKKMIZYAZDCF-RWMBFGLXSA-N 1 0 227.348 2.103 10 0 BEAERO CCOC[C@H](O)C[N@@H+]1CCCCC[C@@H]1CC ZINC000219296616 256856860 /nfs/dbraw/zinc/85/68/60/256856860.db2.gz CEEOIIWPBJOZSN-QWHCGFSZSA-N 1 0 229.364 2.038 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(F)cn1 ZINC000220755939 388607145 /nfs/dbraw/zinc/60/71/45/388607145.db2.gz FXGJJSAMNALPFM-KBVBSXBZSA-N 1 0 224.279 2.049 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccoc2)C1 ZINC000245849953 388608068 /nfs/dbraw/zinc/60/80/68/388608068.db2.gz BDRFIKHOALFYLS-DGCLKSJQSA-N 1 0 222.332 2.415 10 0 BEAERO C[NH+](C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000082283342 388612521 /nfs/dbraw/zinc/61/25/21/388612521.db2.gz QYMFKGKRCPQGHS-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO Clc1ccsc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367577552 388565577 /nfs/dbraw/zinc/56/55/77/388565577.db2.gz TYNLMBLMZDMQCI-PSVAKVPMSA-N 1 0 243.759 2.384 10 0 BEAERO COC(=O)Cc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000075905556 388575702 /nfs/dbraw/zinc/57/57/02/388575702.db2.gz QTEBIKWTYAVJFA-CYBMUJFWSA-N 1 0 233.311 2.217 10 0 BEAERO COC(=O)Cc1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000075905558 388575851 /nfs/dbraw/zinc/57/58/51/388575851.db2.gz OJSQZWKXYYHUCJ-CYBMUJFWSA-N 1 0 233.311 2.217 10 0 BEAERO CCc1nnc(C[NH2+][C@H]2CCCC2(C)C)n1C ZINC000191855320 388671625 /nfs/dbraw/zinc/67/16/25/388671625.db2.gz LNCIJWZCGHTNPH-JTQLQIEISA-N 1 0 236.363 2.046 10 0 BEAERO Cn1cc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCCO2)cn1 ZINC000189101646 388621870 /nfs/dbraw/zinc/62/18/70/388621870.db2.gz XCLIQTMICPCNFV-KBPBESRZSA-N 1 0 249.358 2.126 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CC2)C1 ZINC000246269700 388628324 /nfs/dbraw/zinc/62/83/24/388628324.db2.gz RQEQCOPNQBMYLJ-NQBHXWOUSA-N 1 0 210.365 2.103 10 0 BEAERO COc1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575439721 388629525 /nfs/dbraw/zinc/62/95/25/388629525.db2.gz VDLFOAWKHJTKDK-VIFPVBQESA-N 1 0 201.216 2.350 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000246449928 388636497 /nfs/dbraw/zinc/63/64/97/388636497.db2.gz PEJYVBQJOCDYIZ-BZPMIXESSA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000247003618 388656341 /nfs/dbraw/zinc/65/63/41/388656341.db2.gz OCKMMPPGAJHPPL-WDEREUQCSA-N 1 0 242.363 2.240 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC000247376741 388663349 /nfs/dbraw/zinc/66/33/49/388663349.db2.gz PMZWIOJEMAHAQO-WCQYABFASA-N 1 0 238.375 2.022 10 0 BEAERO CCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000328642929 388739488 /nfs/dbraw/zinc/73/94/88/388739488.db2.gz RFCRDRRIMFYAAX-SRVKXCTJSA-N 1 0 237.347 2.028 10 0 BEAERO CCC1(C[NH2+]Cc2cnn(C)c2C)CCC1 ZINC000126284150 388693631 /nfs/dbraw/zinc/69/36/31/388693631.db2.gz CEVLRTRONMRDGU-UHFFFAOYSA-N 1 0 221.348 2.398 10 0 BEAERO CCOCCN1CC[N@@H+]([C@H](C)CC)C[C@H]1CC ZINC000249284333 388715907 /nfs/dbraw/zinc/71/59/07/388715907.db2.gz ORFVRGMNWYRZJT-ZIAGYGMSSA-N 1 0 242.407 2.218 10 0 BEAERO Cc1cccc(C[NH2+][C@H](C)C2CCOCC2)n1 ZINC000127333130 388722134 /nfs/dbraw/zinc/72/21/34/388722134.db2.gz PQOLWGUCFMSNNP-GFCCVEGCSA-N 1 0 234.343 2.295 10 0 BEAERO Cn1cc([C@H]2CCC[N@@H+]2CC[C@H]2CCCO2)cn1 ZINC000249500598 388723779 /nfs/dbraw/zinc/72/37/79/388723779.db2.gz XCLIQTMICPCNFV-ZIAGYGMSSA-N 1 0 249.358 2.126 10 0 BEAERO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000249591179 388729216 /nfs/dbraw/zinc/72/92/16/388729216.db2.gz VLBMYUZKGITICV-DGCLKSJQSA-N 1 0 223.316 2.123 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]1C ZINC000252699212 388771890 /nfs/dbraw/zinc/77/18/90/388771890.db2.gz RUJRMPNSEPZXNI-GIPNMCIBSA-N 1 0 205.301 2.321 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000252714542 388774598 /nfs/dbraw/zinc/77/45/98/388774598.db2.gz SFJDCKIOEJWCOY-MNOVXSKESA-N 1 0 239.388 2.278 10 0 BEAERO CCC[C@@H](C(=O)OCC)[N@@H+]1CCCSCC1 ZINC000129296811 388829558 /nfs/dbraw/zinc/82/95/58/388829558.db2.gz NJVTWNJPDZXGEC-NSHDSACASA-N 1 0 245.388 2.157 10 0 BEAERO [NH3+][C@H](c1cncs1)[C@@H]1CCCCS1 ZINC000575463412 388829716 /nfs/dbraw/zinc/82/97/16/388829716.db2.gz ZYQAZJQTIVOYHB-CBAPKCEASA-N 1 0 214.359 2.429 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]CC1(C(C)C)CC1 ZINC000232999008 388860969 /nfs/dbraw/zinc/86/09/69/388860969.db2.gz NLRZHZMTHIWIJX-CYBMUJFWSA-N 1 0 243.391 2.190 10 0 BEAERO C[C@@H]([NH3+])[C@@H](O)c1cc2cscc2s1 ZINC000575479568 388861772 /nfs/dbraw/zinc/86/17/72/388861772.db2.gz ONLBEWOCDKPQME-MLUIRONXSA-N 1 0 213.327 2.343 10 0 BEAERO [NH3+]C1CC([C@@H](O)c2sccc2Cl)C1 ZINC000575495090 388957618 /nfs/dbraw/zinc/95/76/18/388957618.db2.gz WOUJNVMPNNMPAJ-NPWHJSNTSA-N 1 0 217.721 2.172 10 0 BEAERO [NH3+]C1([C@@H](O)c2sccc2Cl)CCC1 ZINC000575497963 388989598 /nfs/dbraw/zinc/98/95/98/388989598.db2.gz PUJUYVNQPHTQJB-QMMMGPOBSA-N 1 0 217.721 2.316 10 0 BEAERO C[C@@H]1C[C@@]2(CC(=O)CO2)C[N@@H+]1Cc1ccccc1 ZINC000575500835 388990284 /nfs/dbraw/zinc/99/02/84/388990284.db2.gz XQLUEJIOSCQJQY-IUODEOHRSA-N 1 0 245.322 2.009 10 0 BEAERO C[NH2+][C@@H]1CO[C@@H](c2ccsc2Cl)C1 ZINC000575507722 388993260 /nfs/dbraw/zinc/99/32/60/388993260.db2.gz MPYMIAQNRZEOLN-POYBYMJQSA-N 1 0 217.721 2.451 10 0 BEAERO CC[C@@H]([NH2+]CCn1ccnc1)C(C)(C)C ZINC000272000077 389028194 /nfs/dbraw/zinc/02/81/94/389028194.db2.gz HZRIPDGIKKOWGR-LLVKDONJSA-N 1 0 209.337 2.297 10 0 BEAERO CCc1ccccc1N1CC[NH2+]C[C@@H]1CC ZINC000016945070 132323569 /nfs/dbraw/zinc/32/35/69/132323569.db2.gz UWWPXKWLPIRRRK-ZDUSSCGKSA-N 1 0 218.344 2.437 10 0 BEAERO CC[C@@H]1CN(c2cc(C)cc(C)c2)CC[NH2+]1 ZINC000016944889 132323670 /nfs/dbraw/zinc/32/36/70/132323670.db2.gz QLVLUZMOZVFBMA-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CC1CCN(c2ccccc2C(N)=[NH2+])CC1 ZINC000020075729 132329256 /nfs/dbraw/zinc/32/92/56/132329256.db2.gz JARBQSMJKLNLJE-UHFFFAOYSA-N 1 0 217.316 2.207 10 0 BEAERO Cc1ccc(C)c(N2CCC([NH3+])CC2)c1 ZINC000019514779 132326001 /nfs/dbraw/zinc/32/60/01/132326001.db2.gz OLTDQRHPDQVXBY-UHFFFAOYSA-N 1 0 204.317 2.231 10 0 BEAERO C[NH2+]CC[C@H](C)N1CCCc2ccccc21 ZINC000052421502 132362149 /nfs/dbraw/zinc/36/21/49/132362149.db2.gz BJWOGJXCMDZBGQ-LBPRGKRZSA-N 1 0 218.344 2.437 10 0 BEAERO CC(C)CCCNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000062098596 166807408 /nfs/dbraw/zinc/80/74/08/166807408.db2.gz INOCYKMZOKYENY-CHWSQXEVSA-N 1 0 240.391 2.446 10 0 BEAERO C[C@@H](C[NH2+]CC1CC(O)C1)c1ccccc1 ZINC000084446962 322835668 /nfs/dbraw/zinc/83/56/68/322835668.db2.gz DUVXFAWMMDICSM-DCBWTQNWSA-N 1 0 219.328 2.151 10 0 BEAERO OC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000084447235 322835703 /nfs/dbraw/zinc/83/57/03/322835703.db2.gz WGHPINOGLVWFRE-UHFFFAOYSA-N 1 0 211.349 2.317 10 0 BEAERO Clc1cccc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246514106 132303412 /nfs/dbraw/zinc/30/34/12/132303412.db2.gz OBILPHXDOGYBAR-JTQLQIEISA-N 1 0 237.734 2.019 10 0 BEAERO Cc1cc(N2CC[NH+](C(C)C)CC2)ccc1C=O ZINC000002458234 132314875 /nfs/dbraw/zinc/31/48/75/132314875.db2.gz ZQOUWZLZADLKTE-UHFFFAOYSA-N 1 0 246.354 2.338 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000011959697 132321006 /nfs/dbraw/zinc/32/10/06/132321006.db2.gz AYBPAYUGFJBCBG-RISCZKNCSA-N 1 0 246.354 2.339 10 0 BEAERO Cc1ccc(C)c(N2CC[NH2+]C[C@@H]2C)c1 ZINC000016944987 132323725 /nfs/dbraw/zinc/32/37/25/132323725.db2.gz YUIQDKVOJIBQIS-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(C)c(C)c1 ZINC000016945135 132323755 /nfs/dbraw/zinc/32/37/55/132323755.db2.gz CACWFGDYBWRUFZ-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO [NH3+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000019483604 132325360 /nfs/dbraw/zinc/32/53/60/132325360.db2.gz DDHQTPBGXKTWCR-UHFFFAOYSA-N 1 0 216.328 2.103 10 0 BEAERO [NH3+]C[C@]1(N2CCCc3ccccc32)CCSC1 ZINC000019486761 132325532 /nfs/dbraw/zinc/32/55/32/132325532.db2.gz MFLNVCPSCSWDMK-CQSZACIVSA-N 1 0 248.395 2.274 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2cc[nH+]cc2N)C1 ZINC000019763582 132327094 /nfs/dbraw/zinc/32/70/94/132327094.db2.gz GKXHFNKFALZPGR-UWVGGRQHSA-N 1 0 205.305 2.146 10 0 BEAERO CC(C)CC[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265485 132330939 /nfs/dbraw/zinc/33/09/39/132330939.db2.gz IIASPYBLKDQNTJ-UHFFFAOYSA-N 1 0 247.386 2.437 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2ncccc2C[NH3+])C1 ZINC000022169121 132332328 /nfs/dbraw/zinc/33/23/28/132332328.db2.gz JTSAUHPRADRHPT-PHIMTYICSA-N 1 0 219.332 2.023 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2ccc(C[NH3+])cn2)C1 ZINC000022223012 132332703 /nfs/dbraw/zinc/33/27/03/132332703.db2.gz RGZWMSXFYOCTOO-QWRGUYRKSA-N 1 0 219.332 2.023 10 0 BEAERO c1cc2cc(N3CC[NH2+]CC3)ccc2s1 ZINC000034597581 132336836 /nfs/dbraw/zinc/33/68/36/132336836.db2.gz YGAGYXZPHGMRHX-UHFFFAOYSA-N 1 0 218.325 2.311 10 0 BEAERO [NH3+]Cc1ccnc(N2CCc3sccc3C2)c1 ZINC000035127034 132337592 /nfs/dbraw/zinc/33/75/92/132337592.db2.gz PEWHYJCIOWQYMA-UHFFFAOYSA-N 1 0 245.351 2.165 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000035438961 132338094 /nfs/dbraw/zinc/33/80/94/132338094.db2.gz ITHSDFMIMRDPLW-SDDRHHMPSA-N 1 0 234.343 2.320 10 0 BEAERO C[C@H]1COCCN1c1cccc(Cl)c1C[NH3+] ZINC000035777878 132339375 /nfs/dbraw/zinc/33/93/75/132339375.db2.gz RGYNLDDLWQUSRB-VIFPVBQESA-N 1 0 240.734 2.024 10 0 BEAERO CC[NH2+]Cc1ccccc1N1C[C@@H](C)OC[C@@H]1C ZINC000035788522 132339581 /nfs/dbraw/zinc/33/95/81/132339581.db2.gz QKOPCQHMLHSGFI-QWHCGFSZSA-N 1 0 248.370 2.410 10 0 BEAERO CCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090176 132343739 /nfs/dbraw/zinc/34/37/39/132343739.db2.gz KKDABHPXUIJWCK-CHWSQXEVSA-N 1 0 248.374 2.224 10 0 BEAERO C[NH2+]C1CCN(c2cc(F)ccc2F)CC1 ZINC000037240923 132343919 /nfs/dbraw/zinc/34/39/19/132343919.db2.gz LRYQJBPLWLAFBV-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO C[NH2+]Cc1ccccc1N1CCC(OC)CC1 ZINC000037266668 132344201 /nfs/dbraw/zinc/34/42/01/132344201.db2.gz MDPAKWMTVZNHJH-UHFFFAOYSA-N 1 0 234.343 2.021 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCC(OC)CC1 ZINC000037266666 132344297 /nfs/dbraw/zinc/34/42/97/132344297.db2.gz OCVNSPBAFXFLDQ-UHFFFAOYSA-N 1 0 248.370 2.411 10 0 BEAERO C[C@H]([NH3+])CCN1CCCc2ccccc21 ZINC000037401870 132344326 /nfs/dbraw/zinc/34/43/26/132344326.db2.gz OGVZSOFOUJGXQY-NSHDSACASA-N 1 0 204.317 2.177 10 0 BEAERO [NH3+]C1CCN(c2ccc(F)cc2Cl)CC1 ZINC000037483305 132344568 /nfs/dbraw/zinc/34/45/68/132344568.db2.gz CWIIXNFRWJXCKA-UHFFFAOYSA-N 1 0 228.698 2.407 10 0 BEAERO [NH3+]C1CCN(c2cccc(Cl)c2F)CC1 ZINC000037483541 132344746 /nfs/dbraw/zinc/34/47/46/132344746.db2.gz SVFDSHLQLUREFY-UHFFFAOYSA-N 1 0 228.698 2.407 10 0 BEAERO CC1(C)CN(c2c(F)cccc2F)CC[NH2+]1 ZINC000041247054 132349728 /nfs/dbraw/zinc/34/97/28/132349728.db2.gz YUWQVVOJJKOYND-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO CCCO[C@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000042421119 132351556 /nfs/dbraw/zinc/35/15/56/132351556.db2.gz RFVKIMCBFMUYRY-NSHDSACASA-N 1 0 235.331 2.059 10 0 BEAERO [NH3+]C1CCN(c2ccc(Cl)cc2F)CC1 ZINC000042590313 132352663 /nfs/dbraw/zinc/35/26/63/132352663.db2.gz SCTYBVJMRAGMOT-UHFFFAOYSA-N 1 0 228.698 2.407 10 0 BEAERO Cc1ccc(F)cc1N1CCC[C@@H]([NH3+])C1 ZINC000043470526 132353089 /nfs/dbraw/zinc/35/30/89/132353089.db2.gz HVYJPOBWYRUBTM-LLVKDONJSA-N 1 0 208.280 2.062 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(c2cc(N)cc[nH+]2)C1 ZINC000043567916 132353421 /nfs/dbraw/zinc/35/34/21/132353421.db2.gz AAKIZHHHWCNLKF-NXEZZACHSA-N 1 0 205.305 2.146 10 0 BEAERO CC[C@@H]1CCCN(c2cc(N)cc[nH+]2)C1 ZINC000043568972 132353758 /nfs/dbraw/zinc/35/37/58/132353758.db2.gz MNDHKLDWQUDMPT-SNVBAGLBSA-N 1 0 205.305 2.290 10 0 BEAERO CN1c2ccccc2[C@@H]([NH2+][C@@H]2CC2(C)C)CC1=O ZINC000045117718 132354613 /nfs/dbraw/zinc/35/46/13/132354613.db2.gz KYXXRDJWYPIYAZ-WCQYABFASA-N 1 0 244.338 2.482 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2)C[C@@H]1C ZINC000049708555 132356932 /nfs/dbraw/zinc/35/69/32/132356932.db2.gz LRDATVWTMLILGT-GWCFXTLKSA-N 1 0 222.307 2.260 10 0 BEAERO COc1ccc(C)cc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049707764 132356974 /nfs/dbraw/zinc/35/69/74/132356974.db2.gz OZSHQUHOGNYXDX-VXGBXAGGSA-N 1 0 234.343 2.177 10 0 BEAERO COc1ccc(C)cc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049707776 132357011 /nfs/dbraw/zinc/35/70/11/132357011.db2.gz HZGIBZSDNWQUKE-RYUDHWBXSA-N 1 0 234.343 2.320 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccccc1F ZINC000049708729 132357175 /nfs/dbraw/zinc/35/71/75/132357175.db2.gz FDEFOONQRZUILW-NXEZZACHSA-N 1 0 208.280 2.142 10 0 BEAERO C[C@@H]1CN(c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000049708748 132357184 /nfs/dbraw/zinc/35/71/84/132357184.db2.gz PBIPCKWPDLBKIT-KCJUWKMLSA-N 1 0 226.270 2.138 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2F)[C@H](C)C1 ZINC000049708739 132357219 /nfs/dbraw/zinc/35/72/19/132357219.db2.gz RNGVQQFLAAGULC-MNOVXSKESA-N 1 0 222.307 2.402 10 0 BEAERO CCc1ccccc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049708587 132357244 /nfs/dbraw/zinc/35/72/44/132357244.db2.gz YONDLAJBODIPGQ-DGCLKSJQSA-N 1 0 218.344 2.423 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(F)c(F)c1 ZINC000049708804 132357292 /nfs/dbraw/zinc/35/72/92/132357292.db2.gz NTBXQXCQOOBORR-IUCAKERBSA-N 1 0 226.270 2.281 10 0 BEAERO Cc1cc(C)cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000049709584 132357404 /nfs/dbraw/zinc/35/74/04/132357404.db2.gz BMCBWTOCNXTXLR-TZMCWYRMSA-N 1 0 218.344 2.477 10 0 BEAERO COCc1ccccc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049713800 132357869 /nfs/dbraw/zinc/35/78/69/132357869.db2.gz JRPZDJPHNJTAOK-WCQYABFASA-N 1 0 234.343 2.149 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(COC)c2)[C@@H](C)C1 ZINC000049713782 132357876 /nfs/dbraw/zinc/35/78/76/132357876.db2.gz SLZBFENQSHRRSY-JSGCOSHPSA-N 1 0 248.370 2.410 10 0 BEAERO C[C@@H]1CN(c2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000049713143 132357886 /nfs/dbraw/zinc/35/78/86/132357886.db2.gz BKFYZQYEZYGJMS-SCZZXKLOSA-N 1 0 226.270 2.138 10 0 BEAERO [NH3+]CC1(CN2CCCc3ccccc32)CC1 ZINC000049816161 132358101 /nfs/dbraw/zinc/35/81/01/132358101.db2.gz AIELNABJMQSIED-UHFFFAOYSA-N 1 0 216.328 2.178 10 0 BEAERO CC[C@@H]1CCCCN1c1ccnc(C[NH3+])c1 ZINC000051396656 132360009 /nfs/dbraw/zinc/36/00/09/132360009.db2.gz DASWLLWOWBXEKR-GFCCVEGCSA-N 1 0 219.332 2.309 10 0 BEAERO CC[C@H]1CCCCN1c1cccc(C[NH3+])n1 ZINC000051396651 132360087 /nfs/dbraw/zinc/36/00/87/132360087.db2.gz MYPVRTSLACUODJ-LBPRGKRZSA-N 1 0 219.332 2.309 10 0 BEAERO C[C@@H]1CCCN(c2ccnc(C[NH3+])c2)[C@@H]1C ZINC000051396020 132360133 /nfs/dbraw/zinc/36/01/33/132360133.db2.gz FROVZDXINZKCEI-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@@H]1C[C@@H](C)CCN1c1ncccc1C[NH3+] ZINC000051728440 132361492 /nfs/dbraw/zinc/36/14/92/132361492.db2.gz UJIBLZBIIKNHNH-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@@H]1C[C@@H](C)CCN1c1cc(C[NH3+])ccn1 ZINC000051728433 132361512 /nfs/dbraw/zinc/36/15/12/132361512.db2.gz PBBFDEPHIROWKM-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@@H]1C[C@@H](C)CCN1c1ccnc(C[NH3+])c1 ZINC000051748755 132361812 /nfs/dbraw/zinc/36/18/12/132361812.db2.gz ULCKDFGMISZHEM-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO CN1c2ccccc2[C@@H]([NH2+]C2CCC2)CC1=O ZINC000052208590 132362186 /nfs/dbraw/zinc/36/21/86/132362186.db2.gz OJDBEXDXNXVONR-LBPRGKRZSA-N 1 0 230.311 2.236 10 0 BEAERO CC(C)(C)[NH2+]C[C@H]1CCCCN1c1cnccn1 ZINC000053700232 132363081 /nfs/dbraw/zinc/36/30/81/132363081.db2.gz QQDVZNYRXGAAPU-GFCCVEGCSA-N 1 0 248.374 2.224 10 0 BEAERO CC[NH2+]C[C@@H]1CCCCN1c1cccc(C)n1 ZINC000053698415 132363229 /nfs/dbraw/zinc/36/32/29/132363229.db2.gz UZRNHIZOECYYSF-ZDUSSCGKSA-N 1 0 233.359 2.358 10 0 BEAERO CC[NH2+]C[C@H]1CCCCN1c1cccc(C)n1 ZINC000053698420 132363244 /nfs/dbraw/zinc/36/32/44/132363244.db2.gz UZRNHIZOECYYSF-CYBMUJFWSA-N 1 0 233.359 2.358 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1c1ncccc1Cl ZINC000053706619 132363320 /nfs/dbraw/zinc/36/33/20/132363320.db2.gz ZNGVZPJVVQFXCM-JTQLQIEISA-N 1 0 239.750 2.313 10 0 BEAERO Cc1cc(N2CC[NH+](C(C)C)CC2)ccc1N ZINC000057579534 132365975 /nfs/dbraw/zinc/36/59/75/132365975.db2.gz XJTKUCYUFASEQK-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO Cc1cccc(C)c1N1CCC[C@H]([NH3+])C1 ZINC000057938083 132367494 /nfs/dbraw/zinc/36/74/94/132367494.db2.gz LRMANJLUZQNRSO-LBPRGKRZSA-N 1 0 204.317 2.231 10 0 BEAERO Cc1ccc(C)c(N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000071520909 132393013 /nfs/dbraw/zinc/39/30/13/132393013.db2.gz GZYDHSFOOZVAHE-STQMWFEESA-N 1 0 218.344 2.490 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)c(F)c1 ZINC000071532824 132394054 /nfs/dbraw/zinc/39/40/54/132394054.db2.gz PVBSZOORORTGAZ-DTWKUNHWSA-N 1 0 226.270 2.151 10 0 BEAERO C[C@@H]1CN(c2ccc(F)c(F)c2F)[C@H](C)C[NH2+]1 ZINC000071558817 132394358 /nfs/dbraw/zinc/39/43/58/132394358.db2.gz ZGAOGSULGBGEAS-HTQZYQBOSA-N 1 0 244.260 2.291 10 0 BEAERO C[C@@H](CCC[NH3+])C(=O)N1CCCc2ccccc21 ZINC000076631722 132401241 /nfs/dbraw/zinc/40/12/41/132401241.db2.gz NWUFXLAAIMXGPH-LBPRGKRZSA-N 1 0 246.354 2.341 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cccnc1 ZINC000083360333 132422662 /nfs/dbraw/zinc/42/26/62/132422662.db2.gz SKMVGAGMVFLVKF-OCCSQVGLSA-N 1 0 233.359 2.294 10 0 BEAERO COC1CCN(c2ccccc2C[C@@H](C)[NH3+])CC1 ZINC000104263770 132435834 /nfs/dbraw/zinc/43/58/34/132435834.db2.gz BTVZNOPPOFBAET-GFCCVEGCSA-N 1 0 248.370 2.192 10 0 BEAERO Cc1nc(NC[C@H]([NH3+])C(C)C)sc1C ZINC000083533150 133527037 /nfs/dbraw/zinc/52/70/37/133527037.db2.gz HQHVMKUROHUDRT-VIFPVBQESA-N 1 0 213.350 2.155 10 0 BEAERO Cc1nc(N2CCC[C@H](C)[C@@H]2C[NH3+])sc1C ZINC000083533146 133527097 /nfs/dbraw/zinc/52/70/97/133527097.db2.gz UVXFREZZZYLDOC-KWQFWETISA-N 1 0 239.388 2.324 10 0 BEAERO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2[NH3+])C[C@@H](C)C1 ZINC000252095236 133648828 /nfs/dbraw/zinc/64/88/28/133648828.db2.gz HRXBCZXNZRCLSZ-KSSYENDESA-N 1 0 238.375 2.055 10 0 BEAERO C[C@H]1CCCN(c2ncccc2Cl)[C@H]1C[NH3+] ZINC000252208461 133649280 /nfs/dbraw/zinc/64/92/80/133649280.db2.gz VQMRFNSOLGDKIA-ONGXEEELSA-N 1 0 239.750 2.299 10 0 BEAERO c1ccc2c(c1)CCC[N@@H+]([C@@H]1CCOC1)C2 ZINC000335937974 134013296 /nfs/dbraw/zinc/01/32/96/134013296.db2.gz VCISXIVQPATQRZ-CQSZACIVSA-N 1 0 217.312 2.224 10 0 BEAERO CC1=C(C)C[N@@H+]([C@H]2CCCC[C@H]2O)CC1 ZINC000336088886 134077479 /nfs/dbraw/zinc/07/74/79/134077479.db2.gz OJVMNQYTGGEMCR-QWHCGFSZSA-N 1 0 209.333 2.332 10 0 BEAERO Cc1oncc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000336118927 134089527 /nfs/dbraw/zinc/08/95/27/134089527.db2.gz BUKFCQPOIKOUPL-WDEREUQCSA-N 1 0 242.269 2.460 10 0 BEAERO CN1CC[C@H]2CC[N@H+](CC3(C)CCC3)[C@@H]2C1 ZINC000336138267 134096787 /nfs/dbraw/zinc/09/67/87/134096787.db2.gz LPOXTYGRQMSUSW-QWHCGFSZSA-N 1 0 222.376 2.203 10 0 BEAERO OC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000336144576 134101676 /nfs/dbraw/zinc/10/16/76/134101676.db2.gz DXVIXMOKBGYLFK-JTQLQIEISA-N 1 0 233.302 2.269 10 0 BEAERO C[C@H]1C[C@@H](C[NH+]2CC(C(F)(F)F)C2)CCO1 ZINC000336188918 134122434 /nfs/dbraw/zinc/12/24/34/134122434.db2.gz LOEKFGGFBOOCCH-IUCAKERBSA-N 1 0 237.265 2.296 10 0 BEAERO CCN1CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000336189745 134122966 /nfs/dbraw/zinc/12/29/66/134122966.db2.gz NUOOZHZWIUXWJS-LLVKDONJSA-N 1 0 232.318 2.059 10 0 BEAERO CC(C)CCOCC[N@@H+]1CCS[C@@H](C)C1 ZINC000170901322 134254946 /nfs/dbraw/zinc/25/49/46/134254946.db2.gz QASUGPKAXNEFQR-LBPRGKRZSA-N 1 0 231.405 2.486 10 0 BEAERO CCCC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171139039 134257281 /nfs/dbraw/zinc/25/72/81/134257281.db2.gz OQKOVRWGOQTCDF-LBPRGKRZSA-N 1 0 237.347 2.433 10 0 BEAERO C1CC1c1nnc([C@H]2CCC[N@@H+](C3CCC3)C2)[nH]1 ZINC000179587766 134322115 /nfs/dbraw/zinc/32/21/15/134322115.db2.gz LPQQENMAGFZDTI-NSHDSACASA-N 1 0 246.358 2.414 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225346577 134354938 /nfs/dbraw/zinc/35/49/38/134354938.db2.gz QTQOLJKMAZGQLT-SFYZADRCSA-N 1 0 246.763 2.190 10 0 BEAERO CC1(C)[C@@H]([NH2+][C@@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000226510016 134364085 /nfs/dbraw/zinc/36/40/85/134364085.db2.gz HWWVCZSOBVLAKT-VOAKCMCISA-N 1 0 221.344 2.498 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CCSC2)o1 ZINC000226402938 134365708 /nfs/dbraw/zinc/36/57/08/134365708.db2.gz UBQAAFKOXHYLQF-ZJUUUORDSA-N 1 0 226.345 2.387 10 0 BEAERO C1OCC1[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000227244981 134376347 /nfs/dbraw/zinc/37/63/47/134376347.db2.gz PZGKUEKQUDFGAE-UTUOFQBUSA-N 1 0 209.333 2.334 10 0 BEAERO CCc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000227567150 134383471 /nfs/dbraw/zinc/38/34/71/134383471.db2.gz RCENKOLWYYDDFL-OAHLLOKOSA-N 1 0 233.355 2.453 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000227573830 134385489 /nfs/dbraw/zinc/38/54/89/134385489.db2.gz DIPSMBQTBWQNLS-SNVBAGLBSA-N 1 0 241.281 2.169 10 0 BEAERO CCC1(C)CC[NH+](C[C@H](C)C(=O)OC)CC1 ZINC000062954644 134461420 /nfs/dbraw/zinc/46/14/20/134461420.db2.gz YLNJSTSAYOJWPG-NSHDSACASA-N 1 0 227.348 2.308 10 0 BEAERO c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCC12CCCC2 ZINC000189147596 134540940 /nfs/dbraw/zinc/54/09/40/134540940.db2.gz NCKSIESBZUQBSN-NEPJUHHUSA-N 1 0 246.358 2.425 10 0 BEAERO CC(C)[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1 ZINC000050395348 134659177 /nfs/dbraw/zinc/65/91/77/134659177.db2.gz JZPXWTBERVMVTH-KGLIPLIRSA-N 1 0 246.354 2.252 10 0 BEAERO Cn1cncc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136698070 134790198 /nfs/dbraw/zinc/79/01/98/134790198.db2.gz BGPBRZZSGCFIKJ-GFCCVEGCSA-N 1 0 249.358 2.002 10 0 BEAERO C[C@@H](CC(=O)N(C)[C@@H](C[NH3+])C1CC1)C(C)(C)C ZINC000159838709 134791718 /nfs/dbraw/zinc/79/17/18/134791718.db2.gz DRNOKTVVCWULKO-JQWIXIFHSA-N 1 0 240.391 2.254 10 0 BEAERO CSCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000068996912 134896718 /nfs/dbraw/zinc/89/67/18/134896718.db2.gz HWJKIKBDXVRXSP-LLVKDONJSA-N 1 0 223.341 2.332 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C)C12CCC2 ZINC000247124825 134972635 /nfs/dbraw/zinc/97/26/35/134972635.db2.gz WGPDCOZKZKQQEV-FIQHERPVSA-N 1 0 209.333 2.332 10 0 BEAERO CC[C@@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248374308 135000445 /nfs/dbraw/zinc/00/04/45/135000445.db2.gz PJEYCELSAPLFIZ-OLZOCXBDSA-N 1 0 248.374 2.176 10 0 BEAERO C[C@@H]1C[N@H+](CCC2OCCO2)[C@H]1c1ccccc1 ZINC000248632542 135017052 /nfs/dbraw/zinc/01/70/52/135017052.db2.gz SQJBTWIHSHUQSO-IUODEOHRSA-N 1 0 247.338 2.442 10 0 BEAERO COC1CC([NH2+][C@H](C)c2csc(C)n2)C1 ZINC000230675718 135021043 /nfs/dbraw/zinc/02/10/43/135021043.db2.gz HHDFEENXYQCECY-CUUXFQNZSA-N 1 0 226.345 2.280 10 0 BEAERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C1CCCC1 ZINC000248769910 135021214 /nfs/dbraw/zinc/02/12/14/135021214.db2.gz AFTXRHGFGDMMJV-DRZSPHRISA-N 1 0 237.343 2.203 10 0 BEAERO C=Cn1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cn1 ZINC000249052801 135030951 /nfs/dbraw/zinc/03/09/51/135030951.db2.gz XXPSEUWCPYGEAC-BFHYXJOUSA-N 1 0 247.342 2.031 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H](O)C2CCCCC2)CCS1 ZINC000249155366 135034904 /nfs/dbraw/zinc/03/49/04/135034904.db2.gz YMTPEICVMZBCRA-WCQYABFASA-N 1 0 243.416 2.365 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cccnc2)C1 ZINC000249613328 135041942 /nfs/dbraw/zinc/04/19/42/135041942.db2.gz JIIISOGSMPUZSM-OCCSQVGLSA-N 1 0 233.359 2.217 10 0 BEAERO CCCCCC[NH+]1CCC(n2cncn2)CC1 ZINC000077274024 135060502 /nfs/dbraw/zinc/06/05/02/135060502.db2.gz DVPVMGHWLCWYON-UHFFFAOYSA-N 1 0 236.363 2.495 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000251037417 135062016 /nfs/dbraw/zinc/06/20/16/135062016.db2.gz KBKNUHNWYZWQEF-MJVIPROJSA-N 1 0 219.328 2.423 10 0 BEAERO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CC1CC1 ZINC000251585200 135072198 /nfs/dbraw/zinc/07/21/98/135072198.db2.gz CMPTWQXDHNFCLT-KGLIPLIRSA-N 1 0 222.376 2.345 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cn2cccn2)C1 ZINC000251607722 135072517 /nfs/dbraw/zinc/07/25/17/135072517.db2.gz KVHRINWPUVAAKD-UPJWGTAASA-N 1 0 221.348 2.440 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCC1 ZINC000251755253 135076238 /nfs/dbraw/zinc/07/62/38/135076238.db2.gz LPANDMUBWFVMJQ-KBPBESRZSA-N 1 0 222.376 2.345 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000238851010 135078619 /nfs/dbraw/zinc/07/86/19/135078619.db2.gz DRLRFWDAPVSVSX-NWDGAFQWSA-N 1 0 226.270 2.059 10 0 BEAERO CCOCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252475920 135091122 /nfs/dbraw/zinc/09/11/22/135091122.db2.gz MSFZASUBFRKNLH-UONOGXRCSA-N 1 0 241.375 2.040 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ccncc1Cl ZINC000086840050 135097939 /nfs/dbraw/zinc/09/79/39/135097939.db2.gz ZWWFSZCZDNDADX-VIFPVBQESA-N 1 0 213.712 2.130 10 0 BEAERO CCNC(=O)CC[NH2+][C@H]1CCCCC1(C)C ZINC000086875148 135099343 /nfs/dbraw/zinc/09/93/43/135099343.db2.gz CSNLLRXKNWXTIS-NSHDSACASA-N 1 0 226.364 2.071 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1nccn1C ZINC000252731178 135104782 /nfs/dbraw/zinc/10/47/82/135104782.db2.gz OPRGMZKLLJWBID-MXWKQRLJSA-N 1 0 207.321 2.259 10 0 BEAERO C[C@@H]1CC[C@H](N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000252738928 135105464 /nfs/dbraw/zinc/10/54/64/135105464.db2.gz FSBGQYAZWXTJNK-MQYQWHSLSA-N 1 0 222.376 2.344 10 0 BEAERO CSC[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000252738244 135105494 /nfs/dbraw/zinc/10/54/94/135105494.db2.gz FAPPWHRMHOTKCJ-ZDCRXTMVSA-N 1 0 229.389 2.141 10 0 BEAERO CSC[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252738242 135105613 /nfs/dbraw/zinc/10/56/13/135105613.db2.gz FAPPWHRMHOTKCJ-UKKRHICBSA-N 1 0 229.389 2.141 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C2COC2)cc1F ZINC000087284331 135116890 /nfs/dbraw/zinc/11/68/90/135116890.db2.gz CCEVGMDWXYIEKQ-VIFPVBQESA-N 1 0 209.264 2.184 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000252956818 135117444 /nfs/dbraw/zinc/11/74/44/135117444.db2.gz SAGIVVDPFKYGLN-VOAKCMCISA-N 1 0 211.349 2.458 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)C1 ZINC000253178628 135122788 /nfs/dbraw/zinc/12/27/88/135122788.db2.gz CBTUATDZUBUZLY-WYUUTHIRSA-N 1 0 231.405 2.267 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ncccc1Cl ZINC000087362265 135126713 /nfs/dbraw/zinc/12/67/13/135126713.db2.gz IRXZFZAZOATRAZ-QMMMGPOBSA-N 1 0 213.712 2.274 10 0 BEAERO OCC[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000253360655 135126794 /nfs/dbraw/zinc/12/67/94/135126794.db2.gz AMNWUBQHHXOFFS-GXTWGEPZSA-N 1 0 231.339 2.031 10 0 BEAERO COc1ccccc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000258611459 135132552 /nfs/dbraw/zinc/13/25/52/135132552.db2.gz AYXCZAPNZWRIBX-AWEZNQCLSA-N 1 0 248.370 2.254 10 0 BEAERO CC1(C)CN(Cc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000258643292 135132801 /nfs/dbraw/zinc/13/28/01/135132801.db2.gz DBFIAQYOCSFKNZ-CYBMUJFWSA-N 1 0 236.334 2.385 10 0 BEAERO CC1(C)CN(Cc2ccccc2F)CC[C@H]1[NH3+] ZINC000258795016 135133890 /nfs/dbraw/zinc/13/38/90/135133890.db2.gz MVEVIIHYXKTQES-CYBMUJFWSA-N 1 0 236.334 2.385 10 0 BEAERO CC(C)CCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259138780 135137562 /nfs/dbraw/zinc/13/75/62/135137562.db2.gz VOEVYJPOLTYGQD-LLVKDONJSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000259355111 135142756 /nfs/dbraw/zinc/14/27/56/135142756.db2.gz YXLXVTGJVLPVCO-ZDUSSCGKSA-N 1 0 246.354 2.194 10 0 BEAERO C[C@@H](CN)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000261527305 135150724 /nfs/dbraw/zinc/15/07/24/135150724.db2.gz PTSBPYQEFLUMPQ-UWVGGRQHSA-N 1 0 220.307 2.091 10 0 BEAERO NC[C@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261533071 135163891 /nfs/dbraw/zinc/16/38/91/135163891.db2.gz FSBRYYUMRHERDW-GHMZBOCLSA-N 1 0 232.318 2.235 10 0 BEAERO [NH3+][C@@H]1CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533087 135163981 /nfs/dbraw/zinc/16/39/81/135163981.db2.gz KALUORYYDAPINQ-WDEREUQCSA-N 1 0 232.318 2.235 10 0 BEAERO FC1(F)CCC[C@H](CN2CCC[NH2+]CC2)C1 ZINC000261533077 135164278 /nfs/dbraw/zinc/16/42/78/135164278.db2.gz GJKDQGRYZRRXAW-NSHDSACASA-N 1 0 232.318 2.107 10 0 BEAERO Cc1nc(N2CC[C@H](C)C[C@H]2C[NH3+])sc1C ZINC000261534945 135168935 /nfs/dbraw/zinc/16/89/35/135168935.db2.gz UORHBDITEQYPQN-KWQFWETISA-N 1 0 239.388 2.324 10 0 BEAERO C[NH2+]C[C@H]1CCCN1C[C@@H]1CCCC(F)(F)C1 ZINC000261538217 135175367 /nfs/dbraw/zinc/17/53/67/135175367.db2.gz SHSNVGWNJXGSBF-VXGBXAGGSA-N 1 0 246.345 2.496 10 0 BEAERO CC1(C)CN(Cc2ccsc2)CC[C@@H]1[NH3+] ZINC000261538672 135176662 /nfs/dbraw/zinc/17/66/62/135176662.db2.gz YWPYRAGQXCVXLS-NSHDSACASA-N 1 0 224.373 2.307 10 0 BEAERO C[C@H](c1ccccn1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261542719 135183232 /nfs/dbraw/zinc/18/32/32/135183232.db2.gz CJTHWMPULDOHPD-YPMHNXCESA-N 1 0 233.359 2.202 10 0 BEAERO COc1ccccc1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261551512 135190614 /nfs/dbraw/zinc/19/06/14/135190614.db2.gz WNJCGXLIEFXPBA-OCCSQVGLSA-N 1 0 248.370 2.254 10 0 BEAERO CC[C@H](N[C@H](C)[C@@H](C)[NH3+])c1ccccc1OC ZINC000261554912 135194251 /nfs/dbraw/zinc/19/42/51/135194251.db2.gz PJYPOBKNDIFTPW-WZRBSPASSA-N 1 0 236.359 2.472 10 0 BEAERO C[C@H](CC(=O)N1CC[C@](C)(C[NH3+])C1)C(C)(C)C ZINC000261560141 135201289 /nfs/dbraw/zinc/20/12/89/135201289.db2.gz UFRZIVHVSNIBMT-BXUZGUMPSA-N 1 0 240.391 2.256 10 0 BEAERO CCC[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261565742 135207836 /nfs/dbraw/zinc/20/78/36/135207836.db2.gz DEERDLRTARYVSP-MNOVXSKESA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H]([NH2+]Cc1ccn(C)n1)C(C)(C)C ZINC000163913591 135208438 /nfs/dbraw/zinc/20/84/38/135208438.db2.gz SGNIZSZAVUUEQP-LLVKDONJSA-N 1 0 209.337 2.334 10 0 BEAERO Cc1ccc(C)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000163836850 135208742 /nfs/dbraw/zinc/20/87/42/135208742.db2.gz KNDRKZCSTVYUBX-LLVKDONJSA-N 1 0 232.327 2.097 10 0 BEAERO CC1(C)CN(c2ccncc2Cl)CC[C@H]1[NH3+] ZINC000261566882 135208847 /nfs/dbraw/zinc/20/88/47/135208847.db2.gz DRRUYGRXTOGROC-LLVKDONJSA-N 1 0 239.750 2.299 10 0 BEAERO Cc1cc(C)cc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000163843238 135209109 /nfs/dbraw/zinc/20/91/09/135209109.db2.gz MMSFOFCLXWOBHP-LLVKDONJSA-N 1 0 232.327 2.097 10 0 BEAERO C[C@@H](CC(=O)N1CC[C@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000261580304 135221277 /nfs/dbraw/zinc/22/12/77/135221277.db2.gz MXQDLBPHZHXGPA-AXFHLTTASA-N 1 0 226.364 2.007 10 0 BEAERO C[C@H]1CCN(c2nccc3occc32)[C@H](C[NH3+])C1 ZINC000261593536 135233945 /nfs/dbraw/zinc/23/39/45/135233945.db2.gz ZGOLKAIDSMNQRB-QWRGUYRKSA-N 1 0 245.326 2.391 10 0 BEAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC000261704417 135247022 /nfs/dbraw/zinc/24/70/22/135247022.db2.gz JLAZDILIHPZGAV-RYUDHWBXSA-N 1 0 240.391 2.317 10 0 BEAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@@H](C)C1CCCCC1 ZINC000261728379 135248246 /nfs/dbraw/zinc/24/82/46/135248246.db2.gz FSTDVVVOSFTGPH-QJPTWQEYSA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079025177 135267486 /nfs/dbraw/zinc/26/74/86/135267486.db2.gz DRZXOCINDOOOJH-VXGBXAGGSA-N 1 0 243.395 2.060 10 0 BEAERO CCC(CC)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262046519 135275769 /nfs/dbraw/zinc/27/57/69/135275769.db2.gz QQNIAKKVVIFQMB-GFCCVEGCSA-N 1 0 240.391 2.399 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CN2CCCC2=O)C1 ZINC000080458698 135374567 /nfs/dbraw/zinc/37/45/67/135374567.db2.gz BWFAZEYOXZEDDX-XQQFMLRXSA-N 1 0 238.375 2.166 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)C1 ZINC000299990881 135383967 /nfs/dbraw/zinc/38/39/67/135383967.db2.gz AYQQCUGINFTSLR-UTUOFQBUSA-N 1 0 226.364 2.022 10 0 BEAERO CC[C@H]1CC[C@H]([NH2+]CCn2cc(C)cn2)C1 ZINC000164525949 135388218 /nfs/dbraw/zinc/38/82/18/135388218.db2.gz KZRCRKJPPVFBOK-STQMWFEESA-N 1 0 221.348 2.360 10 0 BEAERO CC1CCC(C[NH2+][C@H](CO)CC(F)F)CC1 ZINC000309818640 135442998 /nfs/dbraw/zinc/44/29/98/135442998.db2.gz VWVIBJMFNJNMOZ-ILDUYXDCSA-N 1 0 235.318 2.418 10 0 BEAERO [NH3+]C[C@H](NCC(F)(F)F)C1CCCCC1 ZINC000083774864 135457112 /nfs/dbraw/zinc/45/71/12/135457112.db2.gz KKAOQWAGLFNSPN-VIFPVBQESA-N 1 0 224.270 2.046 10 0 BEAERO CCc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085357023 135482244 /nfs/dbraw/zinc/48/22/44/135482244.db2.gz NOLIPXVFSVHDAV-CHWSQXEVSA-N 1 0 232.327 2.315 10 0 BEAERO Cc1ccc(F)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085357907 135482545 /nfs/dbraw/zinc/48/25/45/135482545.db2.gz XTLJGNJNPBEVCF-ONGXEEELSA-N 1 0 236.290 2.200 10 0 BEAERO CCCn1ccc(C[NH2+][C@H](C)CCOC)c1 ZINC000085606764 135486873 /nfs/dbraw/zinc/48/68/73/135486873.db2.gz VBTLCFWWLQHYEE-GFCCVEGCSA-N 1 0 224.348 2.413 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ncnc2ccsc21 ZINC000087362206 135505749 /nfs/dbraw/zinc/50/57/49/135505749.db2.gz SKJWJVKQBMXZBF-MRVPVSSYSA-N 1 0 236.344 2.231 10 0 BEAERO C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449580 135535089 /nfs/dbraw/zinc/53/50/89/135535089.db2.gz FEJUIPRXLUDKIR-FDYHWXHSSA-N 1 0 238.375 2.056 10 0 BEAERO Cc1nc(N2CCC3(CC[NH2+]3)CC2)sc1C ZINC000335017403 135878218 /nfs/dbraw/zinc/87/82/18/135878218.db2.gz KKBQQBYWUDEFNU-UHFFFAOYSA-N 1 0 237.372 2.092 10 0 BEAERO Cc1ccc2oc(N3CC[C@H]([NH3+])[C@H](C)C3)nc2c1 ZINC000335294157 136005472 /nfs/dbraw/zinc/00/54/72/136005472.db2.gz AJUXJSGWRLLKGW-MNOVXSKESA-N 1 0 245.326 2.310 10 0 BEAERO Cc1ccnc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c1Cl ZINC000335300817 136023794 /nfs/dbraw/zinc/02/37/94/136023794.db2.gz SRFIQVCNOAMMLX-VHSXEESVSA-N 1 0 239.750 2.217 10 0 BEAERO C[C@H]1CC[C@@H]([N@@H+]2CCOCC3(CC3)C2)C1 ZINC000335348812 136067912 /nfs/dbraw/zinc/06/79/12/136067912.db2.gz XIQVFQZUXQNPBF-NWDGAFQWSA-N 1 0 209.333 2.287 10 0 BEAERO C[C@@H]1CC[C@H]([N@@H+]2CCOCC3(CC3)C2)C1 ZINC000335348811 136068073 /nfs/dbraw/zinc/06/80/73/136068073.db2.gz XIQVFQZUXQNPBF-NEPJUHHUSA-N 1 0 209.333 2.287 10 0 BEAERO Cc1cnc([C@@H](C)NCC[C@H]2CCC[N@@H+]2C)o1 ZINC000348361559 136072697 /nfs/dbraw/zinc/07/26/97/136072697.db2.gz SXMRFDFKJJPDRD-VXGBXAGGSA-N 1 0 237.347 2.118 10 0 BEAERO C[N@H+](C[C@@H]1CC=CCC1)[C@H]1CCC[C@@H]1O ZINC000348545384 136096132 /nfs/dbraw/zinc/09/61/32/136096132.db2.gz CMSNUXTYYUNBLY-AGIUHOORSA-N 1 0 209.333 2.188 10 0 BEAERO CCc1csc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000335579876 136111869 /nfs/dbraw/zinc/11/18/69/136111869.db2.gz JWHZKHWKGQRYST-SCZZXKLOSA-N 1 0 225.361 2.387 10 0 BEAERO Cc1ccoc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000164622999 397795128 /nfs/dbraw/zinc/79/51/28/397795128.db2.gz MZCHSZXNHIHNNQ-NEPJUHHUSA-N 1 0 223.316 2.229 10 0 BEAERO CC[C@@H]([NH2+]CC(=O)N(CC)CC)C(C)(C)C ZINC000309846712 397869429 /nfs/dbraw/zinc/86/94/29/397869429.db2.gz GXHIRFCJOKEDEA-LLVKDONJSA-N 1 0 228.380 2.269 10 0 BEAERO C[C@@H](CC[NH2+]CCC(C)(C)C)[S@@](C)=O ZINC000119209621 397882862 /nfs/dbraw/zinc/88/28/62/397882862.db2.gz WZJWNBDWIMBOPE-HZMBPMFUSA-N 1 0 219.394 2.169 10 0 BEAERO CNc1ccccc1[C@@H]1CC[N@H+](C)CCO1 ZINC000616687321 397929507 /nfs/dbraw/zinc/92/95/07/397929507.db2.gz UOFPVGOWPOYUJA-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299137 397934341 /nfs/dbraw/zinc/93/43/41/397934341.db2.gz MXSJOYSVUFWAQK-ZWNOBZJWSA-N 1 0 238.400 2.486 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(O)c(F)c1 ZINC000020551073 397966718 /nfs/dbraw/zinc/96/67/18/397966718.db2.gz ZCXJXOMGGOGZHR-MWLCHTKSSA-N 1 0 239.290 2.361 10 0 BEAERO [NH3+][C@H]1Cc2cc(Cl)cc(Cl)c2C1 ZINC000199772534 397947387 /nfs/dbraw/zinc/94/73/87/397947387.db2.gz BIUZGUHAVKRSSA-ZETCQYMHSA-N 1 0 202.084 2.419 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCO1 ZINC000382417764 397948010 /nfs/dbraw/zinc/94/80/10/397948010.db2.gz WHMJKXVTKZEWTE-FPYNETTCSA-N 1 0 227.348 2.100 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000388785876 398000810 /nfs/dbraw/zinc/00/08/10/398000810.db2.gz IOSVNFTXENRMRO-WOPDTQHZSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000372502413 398004604 /nfs/dbraw/zinc/00/46/04/398004604.db2.gz GHIIPXRIYFNDAK-PWSUYJOCSA-N 1 0 240.372 2.441 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)CC(C)(C)O1 ZINC000383873672 398046512 /nfs/dbraw/zinc/04/65/12/398046512.db2.gz IERASLWGERUXGX-FRRDWIJNSA-N 1 0 241.375 2.037 10 0 BEAERO C[NH2+][C@H](C)c1nc(-c2ccsc2)no1 ZINC000054053226 398019759 /nfs/dbraw/zinc/01/97/59/398019759.db2.gz XGZLAUWYEMGDAB-ZCFIWIBFSA-N 1 0 209.274 2.079 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+]Cc1nccn1C ZINC000042225524 398030489 /nfs/dbraw/zinc/03/04/89/398030489.db2.gz CLVVSLNJESGAJQ-LLVKDONJSA-N 1 0 233.315 2.124 10 0 BEAERO C[C@H]1C[C@](F)(c2cncs2)CC[NH2+]1 ZINC000575518954 397975443 /nfs/dbraw/zinc/97/54/43/397975443.db2.gz XAPQEXHGWQGVEV-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])Cc1ccc(Br)cn1 ZINC000575582667 397984515 /nfs/dbraw/zinc/98/45/15/397984515.db2.gz QDYGPXVKPWXCOK-OIBJUYFYSA-N 1 0 241.132 2.124 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2ccc(Br)cc2)C1 ZINC000575466048 397987291 /nfs/dbraw/zinc/98/72/91/397987291.db2.gz YYIGKTXEHHLNOZ-NXEZZACHSA-N 1 0 242.116 2.238 10 0 BEAERO CC[C@@H]1CN(C/C(C)=C/Cl)CC[C@@H]1[NH3+] ZINC000231993900 397988214 /nfs/dbraw/zinc/98/82/14/397988214.db2.gz DXTSYTWHGGURPP-FSZCPTMNSA-N 1 0 216.756 2.188 10 0 BEAERO C[NH2+][C@H](C)C(=O)c1ccc(C)c(Cl)c1 ZINC000231995778 397988301 /nfs/dbraw/zinc/98/83/01/397988301.db2.gz JIFQPFSGWLLHPP-MRVPVSSYSA-N 1 0 211.692 2.439 10 0 BEAERO CC[C@H]1C[C@@]1([NH3+])c1ccncc1Br ZINC000307316959 398077373 /nfs/dbraw/zinc/07/73/73/398077373.db2.gz OAKNSZLXFHPCRF-XVKPBYJWSA-N 1 0 241.132 2.428 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1O ZINC000384226452 398078918 /nfs/dbraw/zinc/07/89/18/398078918.db2.gz ACWALQHUONGXNX-MNOVXSKESA-N 1 0 248.326 2.027 10 0 BEAERO c1cc2c(ccnc2NCCC2CC[NH2+]CC2)o1 ZINC000650310917 398094934 /nfs/dbraw/zinc/09/49/34/398094934.db2.gz FSXSANWWIFHBQN-UHFFFAOYSA-N 1 0 245.326 2.051 10 0 BEAERO CSCCN1Cc2ccccc2C1=[NH2+] ZINC000069012357 398099860 /nfs/dbraw/zinc/09/98/60/398099860.db2.gz ISRSKQYYMBFSSU-UHFFFAOYSA-N 1 0 206.314 2.191 10 0 BEAERO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2CCF)cn1 ZINC000286009739 398131298 /nfs/dbraw/zinc/13/12/98/398131298.db2.gz JDQJEYSIYUCYON-NEPJUHHUSA-N 1 0 225.311 2.038 10 0 BEAERO CC(C)C[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000019883222 167011967 /nfs/dbraw/zinc/01/19/67/167011967.db2.gz GLVYAFJKPFJVSQ-LLVKDONJSA-N 1 0 207.273 2.071 10 0 BEAERO CC(C)COC(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000019843881 167021508 /nfs/dbraw/zinc/02/15/08/167021508.db2.gz QFBJDOOMCSFOAB-LBPRGKRZSA-N 1 0 242.363 2.243 10 0 BEAERO CC(C)N1C[C@H]([NH2+][C@H]2CSC[C@H]2C)[C@@H](C)C1 ZINC000336691027 167033563 /nfs/dbraw/zinc/03/35/63/167033563.db2.gz WPIMPDDQSUFNKL-RNJOBUHISA-N 1 0 242.432 2.056 10 0 BEAERO CC1(C)CCCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000086845941 322869341 /nfs/dbraw/zinc/86/93/41/322869341.db2.gz GXBSGELILZIDCB-MCIGGMRASA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)[NH2+]CC(C)(C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000051209715 167098276 /nfs/dbraw/zinc/09/82/76/167098276.db2.gz NPWLRIHHRUEMFC-STQMWFEESA-N 1 0 242.407 2.120 10 0 BEAERO CC(C)[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000095088502 167100199 /nfs/dbraw/zinc/10/01/99/167100199.db2.gz LGKJIYFQFITMCU-UHFFFAOYSA-N 1 0 242.363 2.241 10 0 BEAERO CC(C)[NH2+]C[C@@H](C)N1CCC(C)(C)CC1 ZINC000061823185 167110995 /nfs/dbraw/zinc/11/09/95/167110995.db2.gz BQTNKGKTCVBSEU-GFCCVEGCSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)[NH2+]Cc1ccc(OC2CCCC2)nn1 ZINC000051523204 167118609 /nfs/dbraw/zinc/11/86/09/167118609.db2.gz OOCNGCXFPPYPJZ-UHFFFAOYSA-N 1 0 235.331 2.296 10 0 BEAERO CC(C)[NH2+]Cc1cnc(N2CCCC2)s1 ZINC000054899964 167120426 /nfs/dbraw/zinc/12/04/26/167120426.db2.gz IJPPHHXQKCEZGL-UHFFFAOYSA-N 1 0 225.361 2.241 10 0 BEAERO CC(C)[NH2+][C@@H]1C[C@H](CO)c2ccccc21 ZINC000309080313 167135990 /nfs/dbraw/zinc/13/59/90/167135990.db2.gz OOPDYVJNWQPZLR-ZWNOBZJWSA-N 1 0 205.301 2.205 10 0 BEAERO CCC[N@@H+](Cc1cncnc1)C[C@H]1CCCCO1 ZINC000119559395 487557199 /nfs/dbraw/zinc/55/71/99/487557199.db2.gz KFOBJGBGCLWUPJ-CQSZACIVSA-N 1 0 249.358 2.258 10 0 BEAERO C[C@@H]([NH3+])COc1ccc(F)cc1Br ZINC000075881391 175806358 /nfs/dbraw/zinc/80/63/58/175806358.db2.gz LZOHXKHVOIIPKM-ZCFIWIBFSA-N 1 0 248.095 2.314 10 0 BEAERO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000308860505 487564886 /nfs/dbraw/zinc/56/48/86/487564886.db2.gz VCQZYIGXMWTJGP-JHJVBQTASA-N 1 0 211.349 2.412 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CC)[C@@H](C)CC ZINC000227905439 487564990 /nfs/dbraw/zinc/56/49/90/487564990.db2.gz XELFYEMNPINLHV-STQMWFEESA-N 1 0 231.380 2.284 10 0 BEAERO CCN1CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000393240984 487569117 /nfs/dbraw/zinc/56/91/17/487569117.db2.gz OBAIIYRRAPUHOF-NWDGAFQWSA-N 1 0 212.381 2.352 10 0 BEAERO C[C@H](NC(=O)CC1([NH3+])CCC1)c1cccs1 ZINC000086853256 487570101 /nfs/dbraw/zinc/57/01/01/487570101.db2.gz FZEWWJKGMQSYJP-VIFPVBQESA-N 1 0 238.356 2.197 10 0 BEAERO CC(C)OCCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123670614 167209936 /nfs/dbraw/zinc/20/99/36/167209936.db2.gz FQWFLOFUINGXCW-UONOGXRCSA-N 1 0 242.407 2.216 10 0 BEAERO CC(C)OCCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123671034 167213344 /nfs/dbraw/zinc/21/33/44/167213344.db2.gz FQWFLOFUINGXCW-KBPBESRZSA-N 1 0 242.407 2.216 10 0 BEAERO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000308925945 487584241 /nfs/dbraw/zinc/58/42/41/487584241.db2.gz QAPVKQRZUKGWJH-VOAKCMCISA-N 1 0 211.349 2.268 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000162617933 487594929 /nfs/dbraw/zinc/59/49/29/487594929.db2.gz SUTYGBVJAPIAMM-XQQFMLRXSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CC[C@](O)(C[NH2+]Cc2ccccc2)C1 ZINC000536955715 487604190 /nfs/dbraw/zinc/60/41/90/487604190.db2.gz RZCAQRCNUUELKD-TZMCWYRMSA-N 1 0 219.328 2.327 10 0 BEAERO CC(C)SCC[N@@H+]1CCC[C@H]1CCCO ZINC000336682155 167326353 /nfs/dbraw/zinc/32/63/53/167326353.db2.gz JFOFVBJXTGKMCF-LBPRGKRZSA-N 1 0 231.405 2.365 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCC2CCC2)C1 ZINC000660758935 409722461 /nfs/dbraw/zinc/72/24/61/409722461.db2.gz XKUCVLJVLBBQCS-DGCLKSJQSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2O)s1 ZINC000040518685 409825824 /nfs/dbraw/zinc/82/58/24/409825824.db2.gz WYWOJCSTSZNLII-GDPRMGEGSA-N 1 0 240.372 2.324 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cc(C)cc(C)c1 ZINC000662646327 409809131 /nfs/dbraw/zinc/80/91/31/409809131.db2.gz INZFHJBFUPOYOU-TZMCWYRMSA-N 1 0 248.370 2.293 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000660833766 409813693 /nfs/dbraw/zinc/81/36/93/409813693.db2.gz VHTQXOOWLVBIJS-BFHYXJOUSA-N 1 0 223.360 2.412 10 0 BEAERO CNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000044988497 409872678 /nfs/dbraw/zinc/87/26/78/409872678.db2.gz LEPAICXTQGNAPK-LBPRGKRZSA-N 1 0 234.343 2.090 10 0 BEAERO Brc1cc2c(s1)C[NH2+]C2 ZINC000082380796 166095693 /nfs/dbraw/zinc/09/56/93/166095693.db2.gz HBVUXWPRBKGVTF-UHFFFAOYSA-N 1 0 204.092 2.114 10 0 BEAERO CCCc1nccnc1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000663270795 410090989 /nfs/dbraw/zinc/09/09/89/410090989.db2.gz QDVIOCSYKYDZNG-VXGBXAGGSA-N 1 0 248.374 2.229 10 0 BEAERO Cc1ccc(C[N@@H+](C)CCC(=O)NC(C)C)cc1 ZINC000046502539 410165758 /nfs/dbraw/zinc/16/57/58/410165758.db2.gz NXVKXYNRVHFDHB-UHFFFAOYSA-N 1 0 248.370 2.342 10 0 BEAERO Brc1cccnc1[C@@H]1CCC[NH2+]1 ZINC000083323798 166103243 /nfs/dbraw/zinc/10/32/43/166103243.db2.gz QDKPSJFPVOQGKZ-QMMMGPOBSA-N 1 0 227.105 2.269 10 0 BEAERO Brc1ccccc1[C@H]1CC[NH2+]1 ZINC000077284950 166103408 /nfs/dbraw/zinc/10/34/08/166103408.db2.gz RWECNCYGZCQMRQ-SECBINFHSA-N 1 0 212.090 2.484 10 0 in-vitro BEAERO Brc1cnccc1[C@@H]1CCC[NH2+]C1 ZINC000211516405 166106773 /nfs/dbraw/zinc/10/67/73/166106773.db2.gz JJEBORFEJFGNTJ-MRVPVSSYSA-N 1 0 241.132 2.311 10 0 BEAERO CCCCN(C(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000128955837 410364894 /nfs/dbraw/zinc/36/48/94/410364894.db2.gz QYWGULQVUCJRTI-LBPRGKRZSA-N 1 0 226.364 2.151 10 0 BEAERO CC(=O)c1ccccc1[C@@]1(C)CCC[NH2+]1 ZINC000238150331 166485375 /nfs/dbraw/zinc/48/53/75/166485375.db2.gz HHQSXAYJFARQFD-CYBMUJFWSA-N 1 0 203.285 2.488 10 0 BEAERO CC(C)(C)[NH2+]CCCOc1ccccc1CO ZINC000104332687 166629904 /nfs/dbraw/zinc/62/99/04/166629904.db2.gz ZYCTZIHSJAUFCO-UHFFFAOYSA-N 1 0 237.343 2.336 10 0 BEAERO CC(C)(C)Sc1ncccc1C(N)=[NH2+] ZINC000019870346 166692047 /nfs/dbraw/zinc/69/20/47/166692047.db2.gz ULXRUJVSIDCTDG-UHFFFAOYSA-N 1 0 209.318 2.256 10 0 BEAERO CCN1CC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000393359888 410676907 /nfs/dbraw/zinc/67/69/07/410676907.db2.gz TWENVGNGYAMQIS-LBPRGKRZSA-N 1 0 210.365 2.106 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC(C)(C)c1ccccc1 ZINC000394417983 410789910 /nfs/dbraw/zinc/78/99/10/410789910.db2.gz PAHVQDKYPMXEKE-ZDUSSCGKSA-N 1 0 248.370 2.411 10 0 BEAERO CC(C)CCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055146357 166850771 /nfs/dbraw/zinc/85/07/71/166850771.db2.gz LAHVQFIICUVOLF-QWHCGFSZSA-N 1 0 240.391 2.304 10 0 BEAERO CCC1([NH2+]C[C@@H]2CCCN2C)CCCC1 ZINC000395313593 410844270 /nfs/dbraw/zinc/84/42/70/410844270.db2.gz HZJYGNAXBOMBGM-LBPRGKRZSA-N 1 0 210.365 2.393 10 0 BEAERO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000651198458 410858213 /nfs/dbraw/zinc/85/82/13/410858213.db2.gz NTTCTQKLZMVWGM-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000651199214 410859267 /nfs/dbraw/zinc/85/92/67/410859267.db2.gz FNLLOVMQIMHRJL-MGPQQGTHSA-N 1 0 223.360 2.458 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C(C)C ZINC000395870751 410866087 /nfs/dbraw/zinc/86/60/87/410866087.db2.gz YHRZVEKSFTYPAO-STQMWFEESA-N 1 0 240.391 2.397 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396591938 410891468 /nfs/dbraw/zinc/89/14/68/410891468.db2.gz UBXOCDAEGVRDNI-YRGRVCCFSA-N 1 0 236.359 2.331 10 0 BEAERO CC(C)C[NH2+]CCOc1cccc(N(C)C)c1 ZINC000041271939 167004824 /nfs/dbraw/zinc/00/48/24/167004824.db2.gz WDFDKJLEFKOXKG-UHFFFAOYSA-N 1 0 236.359 2.377 10 0 BEAERO CC(C)C[NH2+]CC[C@H](O)c1ccc(F)c(N)c1 ZINC000098126602 167005211 /nfs/dbraw/zinc/00/52/11/167005211.db2.gz YXJAUHQOOVIHEH-ZDUSSCGKSA-N 1 0 240.322 2.077 10 0 BEAERO CC(C)C[NH2+]C[C@@H](c1ccccc1)n1cncn1 ZINC000052575282 167006309 /nfs/dbraw/zinc/00/63/09/167006309.db2.gz NTXXSNUKIVZPGS-AWEZNQCLSA-N 1 0 244.342 2.113 10 0 BEAERO CC(C)C[NH2+]C[C@H](O)c1ccc(N(C)C)cc1 ZINC000033465868 167006826 /nfs/dbraw/zinc/00/68/26/167006826.db2.gz MUXUSGGBYBMFBS-AWEZNQCLSA-N 1 0 236.359 2.032 10 0 BEAERO CC(C)C[NH2+]C[C@H](C)N(C)Cc1cccnc1 ZINC000052479385 167006896 /nfs/dbraw/zinc/00/68/96/167006896.db2.gz BJVJJTVGCLKNTP-ZDUSSCGKSA-N 1 0 235.375 2.148 10 0 BEAERO CC(C)C[NH2+]C[C@H](O)c1ccc2c(c1)CCC2 ZINC000049825743 167007057 /nfs/dbraw/zinc/00/70/57/167007057.db2.gz BGYYGCOUCBJECK-HNNXBMFYSA-N 1 0 233.355 2.454 10 0 BEAERO CC(C)C[NH2+]Cc1nnnn1[C@H](C)CC(C)C ZINC000054745178 167009371 /nfs/dbraw/zinc/00/93/71/167009371.db2.gz RDNQJUCGAQOBOY-LLVKDONJSA-N 1 0 239.367 2.026 10 0 BEAERO CC(C)C[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944763 167009697 /nfs/dbraw/zinc/00/96/97/167009697.db2.gz NXGLAACGXJVSHA-UHFFFAOYSA-N 1 0 244.342 2.228 10 0 BEAERO CC(C)C[NH2+][C@@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000037946057 167013011 /nfs/dbraw/zinc/01/30/11/167013011.db2.gz WJRCVBXEUHVQAT-RISCZKNCSA-N 1 0 240.391 2.302 10 0 BEAERO CC(C)C[NH2+][C@H](C)[C@@H](O)c1cccs1 ZINC000003625671 167013166 /nfs/dbraw/zinc/01/31/66/167013166.db2.gz UQQZLAWWRVNBKF-MWLCHTKSSA-N 1 0 213.346 2.416 10 0 BEAERO CC(C)C[NH2+][C@H](C(N)=O)c1cccc(Cl)c1 ZINC000037946172 167013758 /nfs/dbraw/zinc/01/37/58/167013758.db2.gz YTWHJTJJYFQKAK-NSHDSACASA-N 1 0 240.734 2.112 10 0 BEAERO CC(C)C[NH2+][C@H]1CCCN(CC(C)C)C1 ZINC000073652420 167015557 /nfs/dbraw/zinc/01/55/57/167015557.db2.gz WBCCGIXDLKVBPA-ZDUSSCGKSA-N 1 0 212.381 2.352 10 0 BEAERO CC(C)COC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000122787344 167023460 /nfs/dbraw/zinc/02/34/60/167023460.db2.gz DHJFTNVDNKCQLN-CQSZACIVSA-N 1 0 241.375 2.302 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000336653181 167027162 /nfs/dbraw/zinc/02/71/62/167027162.db2.gz GAGYLENCSHCRIL-RGDJUOJXSA-N 1 0 224.392 2.349 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000309687526 167030935 /nfs/dbraw/zinc/03/09/35/167030935.db2.gz OOQDWSHQSRQGRY-DGCLKSJQSA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccncc2)[C@@H](C)C1 ZINC000151854245 167032365 /nfs/dbraw/zinc/03/23/65/167032365.db2.gz VMCCPKGBKCRJMM-YDHLFZDLSA-N 1 0 247.386 2.461 10 0 BEAERO CC(C)[N@H+]1C[C@H](NCc2ccco2)[C@@H](C)C1 ZINC000088668904 167032938 /nfs/dbraw/zinc/03/29/38/167032938.db2.gz OIVJWASEHOGFHN-AAEUAGOBSA-N 1 0 222.332 2.098 10 0 BEAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccc2)[C@@H](C)C1 ZINC000155563454 167033409 /nfs/dbraw/zinc/03/34/09/167033409.db2.gz AJFOQEDAKZSYLT-JSGCOSHPSA-N 1 0 246.354 2.145 10 0 BEAERO CC(C)NC(=O)CC[C@@H](C[NH3+])C1CCCCC1 ZINC000076622548 167044986 /nfs/dbraw/zinc/04/49/86/167044986.db2.gz RAJNFUKPDLEKFC-ZDUSSCGKSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1cccs1 ZINC000076622307 167046423 /nfs/dbraw/zinc/04/64/23/167046423.db2.gz SEVWHJSERHFWCM-SNVBAGLBSA-N 1 0 240.372 2.095 10 0 BEAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1ccccc1 ZINC000076617016 167047039 /nfs/dbraw/zinc/04/70/39/167047039.db2.gz JBRSSHXYAJEYAT-CYBMUJFWSA-N 1 0 234.343 2.034 10 0 BEAERO CC(C)[NH2+]CCCSC1CCOCC1 ZINC000062056061 167101578 /nfs/dbraw/zinc/10/15/78/167101578.db2.gz WJQSIBXRXQAMTP-UHFFFAOYSA-N 1 0 217.378 2.287 10 0 BEAERO CC(C)[NH2+]CCCC(=O)N[C@H](C)c1ccco1 ZINC000037633318 167101787 /nfs/dbraw/zinc/10/17/87/167101787.db2.gz FJAHGQNKQIGHBZ-LLVKDONJSA-N 1 0 238.331 2.235 10 0 BEAERO CC(C)[NH2+]CCN(C)c1ncnc2ccccc21 ZINC000053706982 167104148 /nfs/dbraw/zinc/10/41/48/167104148.db2.gz LUQYDXWOMAMOJB-UHFFFAOYSA-N 1 0 244.342 2.064 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@@H](c2ccccc2)C1 ZINC000050598807 167105038 /nfs/dbraw/zinc/10/50/38/167105038.db2.gz ZSSQTYXVCXLXFJ-OAHLLOKOSA-N 1 0 232.371 2.474 10 0 BEAERO CC(C)[NH2+]CCNc1nncc2ccccc21 ZINC000054267697 167107533 /nfs/dbraw/zinc/10/75/33/167107533.db2.gz GSEOAIAOCQQGPJ-UHFFFAOYSA-N 1 0 230.315 2.040 10 0 BEAERO CC(C)[NH2+]C[C@H](C)N1CCC(C)(C)CC1 ZINC000061823186 167113091 /nfs/dbraw/zinc/11/30/91/167113091.db2.gz BQTNKGKTCVBSEU-LBPRGKRZSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC000053031134 167113421 /nfs/dbraw/zinc/11/34/21/167113421.db2.gz NZYGWWJZGVVEKZ-KBPBESRZSA-N 1 0 247.386 2.463 10 0 BEAERO CC(C)[NH2+]C[C@@](C)(O)c1cc(F)ccc1F ZINC000055033060 167113548 /nfs/dbraw/zinc/11/35/48/167113548.db2.gz SNKUNKOLPUAPNU-GFCCVEGCSA-N 1 0 229.270 2.170 10 0 BEAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1ccncc1 ZINC000054595278 167113826 /nfs/dbraw/zinc/11/38/26/167113826.db2.gz SSZUEJSRUKBGMB-STQMWFEESA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCN(c2nccs2)C1 ZINC000053701822 167114678 /nfs/dbraw/zinc/11/46/78/167114678.db2.gz AKMPAPFWUHNHSZ-LLVKDONJSA-N 1 0 239.388 2.358 10 0 BEAERO CC(C)[NH2+]C[C@H](O)COc1ccc(C2CC2)cc1 ZINC000003627695 167115030 /nfs/dbraw/zinc/11/50/30/167115030.db2.gz PHTXELQMXPREHU-AWEZNQCLSA-N 1 0 249.354 2.302 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCN1c1ncccc1F ZINC000054701281 167115418 /nfs/dbraw/zinc/11/54/18/167115418.db2.gz IPBSTEHTIXAIMI-LLVKDONJSA-N 1 0 237.322 2.188 10 0 BEAERO CC(C)[NH2+]C[C@](C)(O)c1cc(F)ccc1F ZINC000055033059 167116314 /nfs/dbraw/zinc/11/63/14/167116314.db2.gz SNKUNKOLPUAPNU-LBPRGKRZSA-N 1 0 229.270 2.170 10 0 BEAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1ccncc1 ZINC000054595281 167117614 /nfs/dbraw/zinc/11/76/14/167117614.db2.gz SSZUEJSRUKBGMB-CHWSQXEVSA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]Cc1csc([C@H]2CCCO2)n1 ZINC000062214640 167120604 /nfs/dbraw/zinc/12/06/04/167120604.db2.gz JIDKTUWMGVLTIY-SNVBAGLBSA-N 1 0 226.345 2.493 10 0 BEAERO CC(C)[NH2+]Cc1nc(-c2ccco2)c[nH]1 ZINC000037477451 167121169 /nfs/dbraw/zinc/12/11/69/167121169.db2.gz HZUZWVLQRUZJRC-UHFFFAOYSA-N 1 0 205.261 2.168 10 0 BEAERO CC(C)[NH2+]Cc1cnc(-c2ncccn2)s1 ZINC000040996747 167121202 /nfs/dbraw/zinc/12/12/02/167121202.db2.gz KNKQWUQBHBSYIW-UHFFFAOYSA-N 1 0 234.328 2.098 10 0 BEAERO CC(C)N[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000050270917 167132739 /nfs/dbraw/zinc/13/27/39/167132739.db2.gz ZAOMPKDIPOPWHA-JTQLQIEISA-N 1 0 244.285 2.286 10 0 BEAERO CC(C)[NH2+][C@@H](CCO)c1cccnc1Cl ZINC000095088301 167132856 /nfs/dbraw/zinc/13/28/56/167132856.db2.gz FYHLFHWLVDWMSD-JTQLQIEISA-N 1 0 228.723 2.157 10 0 BEAERO CCN1CCO[C@H](C[NH2+][C@H](C)C(C)(C)CC)C1 ZINC000651295236 410906395 /nfs/dbraw/zinc/90/63/95/410906395.db2.gz NSRPTKBKIRSRCT-CHWSQXEVSA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)[NH2+][C@@H]1CCc2cccc(O)c2C1 ZINC000027557193 167133957 /nfs/dbraw/zinc/13/39/57/167133957.db2.gz ASCCERNDBPJOHA-LLVKDONJSA-N 1 0 205.301 2.248 10 0 BEAERO CC(C)[NH2+][C@H](CCO)c1cccnc1Cl ZINC000095088302 167139019 /nfs/dbraw/zinc/13/90/19/167139019.db2.gz FYHLFHWLVDWMSD-SNVBAGLBSA-N 1 0 228.723 2.157 10 0 BEAERO CC(C)[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000275611529 167140634 /nfs/dbraw/zinc/14/06/34/167140634.db2.gz QZGOQLNVXADKMT-QWHCGFSZSA-N 1 0 220.316 2.300 10 0 BEAERO CC(C)Nc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000050891558 167141717 /nfs/dbraw/zinc/14/17/17/167141717.db2.gz KQDKEAIRRAGZOL-UHFFFAOYSA-N 1 0 228.299 2.339 10 0 BEAERO CC(C)Oc1ccc(Cl)cc1C[NH2+]CCO ZINC000026482869 167294502 /nfs/dbraw/zinc/29/45/02/167294502.db2.gz UBCJRSLVDOYDFQ-UHFFFAOYSA-N 1 0 243.734 2.209 10 0 BEAERO CC(C)Oc1ccc(C[NH2+]CCO)cc1Cl ZINC000026482877 167295145 /nfs/dbraw/zinc/29/51/45/167295145.db2.gz INPCSBUPWMSDJV-UHFFFAOYSA-N 1 0 243.734 2.209 10 0 BEAERO CC(C)Oc1ccc([C@H](O)C[NH+](C)C)cc1 ZINC000044122560 167301521 /nfs/dbraw/zinc/30/15/21/167301521.db2.gz MDCQIDJJCLICPE-CYBMUJFWSA-N 1 0 223.316 2.069 10 0 BEAERO CC(C)Oc1ccccc1C[NH2+]CCN(C)C ZINC000032090186 167310914 /nfs/dbraw/zinc/31/09/14/167310914.db2.gz COQFHQPJRSSTBF-UHFFFAOYSA-N 1 0 236.359 2.125 10 0 BEAERO CC(C)[C@@H](C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000236657297 167355455 /nfs/dbraw/zinc/35/54/55/167355455.db2.gz DFIRLBONOLXYMA-NSHDSACASA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037655147 167362240 /nfs/dbraw/zinc/36/22/40/167362240.db2.gz MFGIIUZEGMNZHV-VOMCLLRMSA-N 1 0 226.364 2.007 10 0 BEAERO CC(C)[C@@H](C)[N@H+](C)Cc1csc(N)n1 ZINC000036787401 167367756 /nfs/dbraw/zinc/36/77/56/167367756.db2.gz JVZQRUSPVQLIJL-MRVPVSSYSA-N 1 0 213.350 2.202 10 0 BEAERO CC(C)[C@@H](C)Nc1ncccc1C(N)=S ZINC000020523606 167387475 /nfs/dbraw/zinc/38/74/75/167387475.db2.gz NHQLIFMNEFXIAN-MRVPVSSYSA-N 1 0 223.345 2.172 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000096032643 167476007 /nfs/dbraw/zinc/47/60/07/167476007.db2.gz DVOWJVATCSFJRY-MNOVXSKESA-N 1 0 242.363 2.227 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)CCC1CC1 ZINC000398158032 410944502 /nfs/dbraw/zinc/94/45/02/410944502.db2.gz JLLKWEATCUQNTL-ZYHUDNBSSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CCC(C)(C)C ZINC000399887363 411068967 /nfs/dbraw/zinc/06/89/67/411068967.db2.gz MMYOGUVMOAORFT-LLVKDONJSA-N 1 0 228.380 2.254 10 0 BEAERO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC1 ZINC000032104601 167643515 /nfs/dbraw/zinc/64/35/15/167643515.db2.gz OSYKXVJPMAJVIG-CYBMUJFWSA-N 1 0 249.354 2.302 10 0 BEAERO CCOC[C@H](C)[NH2+]Cc1cnc2ccccc2n1 ZINC000044691366 411139366 /nfs/dbraw/zinc/13/93/66/411139366.db2.gz PNFCFSBJZSWAAZ-NSHDSACASA-N 1 0 245.326 2.144 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000211808087 411140515 /nfs/dbraw/zinc/14/05/15/411140515.db2.gz MDABQBPXCLOFJI-WCQYABFASA-N 1 0 240.391 2.460 10 0 BEAERO C[C@@H](C[NH2+]Cc1cccc2cnccc21)N(C)C ZINC000061125426 411151374 /nfs/dbraw/zinc/15/13/74/411151374.db2.gz DBXIJYFAQTXZMY-LBPRGKRZSA-N 1 0 243.354 2.275 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000657884996 411152110 /nfs/dbraw/zinc/15/21/10/411152110.db2.gz AYSDPNOGRJSYFG-JHJVBQTASA-N 1 0 223.360 2.460 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCSCC1 ZINC000657881751 411152698 /nfs/dbraw/zinc/15/26/98/411152698.db2.gz YWIAOJRSWGMSBT-MNOVXSKESA-N 1 0 231.405 2.269 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657935692 411173113 /nfs/dbraw/zinc/17/31/13/411173113.db2.gz NPNOAUOVFGNVFF-HBNTYKKESA-N 1 0 215.362 2.039 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657935687 411173211 /nfs/dbraw/zinc/17/32/11/411173211.db2.gz NPNOAUOVFGNVFF-AXFHLTTASA-N 1 0 215.362 2.039 10 0 BEAERO C[N@H+](CCOC(C)(C)C)C[C@H]1CCC[C@@H](O)C1 ZINC000660017540 411176768 /nfs/dbraw/zinc/17/67/68/411176768.db2.gz MVPBOJJQLJCUKK-QWHCGFSZSA-N 1 0 243.391 2.284 10 0 BEAERO CC[C@H]([NH2+][C@H]1CN(CC)C[C@@H]1C)C(C)C ZINC000336773677 411181585 /nfs/dbraw/zinc/18/15/85/411181585.db2.gz ZAGDBLKGDPCSDG-AVGNSLFASA-N 1 0 212.381 2.351 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1cccs1 ZINC000128918246 411189896 /nfs/dbraw/zinc/18/98/96/411189896.db2.gz LIVFURZIQVDFPC-NXEZZACHSA-N 1 0 240.372 2.299 10 0 BEAERO CCC1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000128961050 411194222 /nfs/dbraw/zinc/19/42/22/411194222.db2.gz UKSWRVIMFZZROG-LBPRGKRZSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C(C)(C)C ZINC000128952902 411194820 /nfs/dbraw/zinc/19/48/20/411194820.db2.gz CTCMVBFZAMAXQH-MNOVXSKESA-N 1 0 228.380 2.253 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(CC1CC1)C(C)C ZINC000129011828 411198317 /nfs/dbraw/zinc/19/83/17/411198317.db2.gz MCGJVJHOMBCBCE-LBPRGKRZSA-N 1 0 226.364 2.007 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=O)CCCCCC[NH3+] ZINC000162611201 411203472 /nfs/dbraw/zinc/20/34/72/411203472.db2.gz LGKRYCIGLTYLMM-NWDGAFQWSA-N 1 0 226.364 2.200 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCC(C)(C)C ZINC000313462166 411246918 /nfs/dbraw/zinc/24/69/18/411246918.db2.gz PLSGXISXQOTFPT-NSHDSACASA-N 1 0 228.380 2.302 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C(C)C ZINC000129114325 411230232 /nfs/dbraw/zinc/23/02/32/411230232.db2.gz IDGPTGKSSFIXSZ-NWDGAFQWSA-N 1 0 226.364 2.007 10 0 BEAERO CC[C@H](C)CN(CC)C(=O)C[C@H]([NH3+])C(C)C ZINC000129131866 411231894 /nfs/dbraw/zinc/23/18/94/411231894.db2.gz PNCWKPXDAXJPKW-RYUDHWBXSA-N 1 0 228.380 2.254 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nccc(C(C)(C)C)n1 ZINC000310337967 411233753 /nfs/dbraw/zinc/23/37/53/411233753.db2.gz NFOJDHXILGAITH-NXEZZACHSA-N 1 0 236.363 2.312 10 0 BEAERO C[C@@H]1SCC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H]1C ZINC000309787248 411239163 /nfs/dbraw/zinc/23/91/63/411239163.db2.gz SWKMFVMUEVXOLU-RVMXOQNASA-N 1 0 243.416 2.363 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000660147125 411262478 /nfs/dbraw/zinc/26/24/78/411262478.db2.gz MIZFXKKGIRGOEJ-OUAUKWLOSA-N 1 0 233.302 2.125 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)CS1 ZINC000655710557 411263251 /nfs/dbraw/zinc/26/32/51/411263251.db2.gz AAAYVUQNIXNTSC-VWYCJHECSA-N 1 0 231.405 2.267 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]C2CC(CO)C2)[C@@H](C)C1 ZINC000658358188 411286698 /nfs/dbraw/zinc/28/66/98/411286698.db2.gz YIANIQNULZZJDR-OVIZCXLRSA-N 1 0 211.349 2.172 10 0 BEAERO CC1(C)[C@H]([NH2+]CCc2ccoc2)[C@H]2CCO[C@@H]21 ZINC000658202953 411291821 /nfs/dbraw/zinc/29/18/21/411291821.db2.gz VYPDIMDETSAQCA-UPJWGTAASA-N 1 0 235.327 2.225 10 0 BEAERO CCCC[NH2+]C[C@@H](O)CNc1ccc(C)cc1 ZINC000003636351 411293131 /nfs/dbraw/zinc/29/31/31/411293131.db2.gz LVUIVGRUWGKZII-CQSZACIVSA-N 1 0 236.359 2.158 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)C1CCCC1 ZINC000069805637 411295627 /nfs/dbraw/zinc/29/56/27/411295627.db2.gz SIBMKDDPLZBBDY-CMPLNLGQSA-N 1 0 226.364 2.055 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000655723116 411296133 /nfs/dbraw/zinc/29/61/33/411296133.db2.gz HXYXZPJQVQDBDJ-NEPJUHHUSA-N 1 0 239.388 2.065 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC1CCCCCC1 ZINC000128891574 411296368 /nfs/dbraw/zinc/29/63/68/411296368.db2.gz UBZJOKHYTPPIDV-GFCCVEGCSA-N 1 0 226.364 2.199 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C2CC(CO)C2)[C@H]1C ZINC000658355576 411298396 /nfs/dbraw/zinc/29/83/96/411298396.db2.gz IMBBJGROVUSHLQ-QUANKSPYSA-N 1 0 211.349 2.172 10 0 BEAERO O[C@H](c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000575512770 411298607 /nfs/dbraw/zinc/29/86/07/411298607.db2.gz AXCLQDLJARAKFS-MUWHJKNJSA-N 1 0 217.721 2.044 10 0 BEAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658237704 411306633 /nfs/dbraw/zinc/30/66/33/411306633.db2.gz CEOTUDIQULQZHT-RYUDHWBXSA-N 1 0 240.391 2.269 10 0 BEAERO CN(CC(C)(C)[NH3+])c1nc2ccccc2s1 ZINC000656609103 411307451 /nfs/dbraw/zinc/30/74/51/411307451.db2.gz MEXROIKXCRGQGW-UHFFFAOYSA-N 1 0 235.356 2.470 10 0 BEAERO CN(CC(C)(C)[NH3+])c1nccc2occc21 ZINC000656608952 411307862 /nfs/dbraw/zinc/30/78/62/411307862.db2.gz QCPYPHGHAWLVPH-UHFFFAOYSA-N 1 0 219.288 2.001 10 0 BEAERO [NH3+]C1(CNc2cnc3ccccc3n2)CCCC1 ZINC000656610623 411308761 /nfs/dbraw/zinc/30/87/61/411308761.db2.gz LFEKNCXZECUPOP-UHFFFAOYSA-N 1 0 242.326 2.313 10 0 BEAERO [NH3+]C1(CNc2ncnc3c2CCCC3)CCCC1 ZINC000656610582 411308927 /nfs/dbraw/zinc/30/89/27/411308927.db2.gz JVTBOTGSCJKETG-UHFFFAOYSA-N 1 0 246.358 2.039 10 0 BEAERO CC(C)c1nsc(NCC2([NH3+])CCCC2)n1 ZINC000656610412 411308946 /nfs/dbraw/zinc/30/89/46/411308946.db2.gz DSZJAVYBDHTITO-UHFFFAOYSA-N 1 0 240.376 2.345 10 0 BEAERO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658242198 411309329 /nfs/dbraw/zinc/30/93/29/411309329.db2.gz PQYVKYDTCDYLQK-YPMHNXCESA-N 1 0 238.375 2.023 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658243726 411310579 /nfs/dbraw/zinc/31/05/79/411310579.db2.gz GFCQYNVLMIKYHY-STQMWFEESA-N 1 0 246.354 2.124 10 0 BEAERO CC1(C)CC[NH+](C2(CN)CCCC2)CC1 ZINC000061819099 167919808 /nfs/dbraw/zinc/91/98/08/167919808.db2.gz LCAYYHLEUZYZKX-UHFFFAOYSA-N 1 0 210.365 2.380 10 0 BEAERO Cc1cc(C[NH2+]CCc2scnc2C)on1 ZINC000050285090 411255779 /nfs/dbraw/zinc/25/57/79/411255779.db2.gz RRJRTUOCWSFGTR-UHFFFAOYSA-N 1 0 237.328 2.080 10 0 BEAERO C[C@H](Cc1cccs1)[NH2+]C1CC(CO)C1 ZINC000658350399 411351881 /nfs/dbraw/zinc/35/18/81/411351881.db2.gz DJQZHOWWCWWZFD-KPPDAEKUSA-N 1 0 225.357 2.040 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH2+]C1CC(CO)C1)CC2 ZINC000658350689 411352121 /nfs/dbraw/zinc/35/21/21/411352121.db2.gz HHLDPQHZASJUJF-ABIUDSBCSA-N 1 0 231.339 2.343 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(F)c(F)c1 ZINC000658350585 411352183 /nfs/dbraw/zinc/35/21/83/411352183.db2.gz GKTTYTXCGCJQOP-FKTRJACZSA-N 1 0 241.281 2.386 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C2CC(CO)C2)o1 ZINC000658351990 411354722 /nfs/dbraw/zinc/35/47/22/411354722.db2.gz SADFXCLYPDSLBG-WHXUTIOJSA-N 1 0 209.289 2.010 10 0 BEAERO CC(C)CC1([NH2+]C[C@@H](O)COC(C)(C)C)CC1 ZINC000662070492 411357101 /nfs/dbraw/zinc/35/71/01/411357101.db2.gz QLSSEZVSLUGMIX-GFCCVEGCSA-N 1 0 243.391 2.331 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000659341008 411369846 /nfs/dbraw/zinc/36/98/46/411369846.db2.gz XYCKNGFVGYZRCO-GARJFASQSA-N 1 0 226.364 2.055 10 0 BEAERO CC1(C[N@@H+]2CCN3CCCC[C@H]3C2)CCC1 ZINC000300366675 168026434 /nfs/dbraw/zinc/02/64/34/168026434.db2.gz LTOBOXNBJONHFU-ZDUSSCGKSA-N 1 0 222.376 2.347 10 0 BEAERO CC1(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000055090065 168060041 /nfs/dbraw/zinc/06/00/41/168060041.db2.gz BCZSJFBHDUHPCL-RYUDHWBXSA-N 1 0 238.375 2.343 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000062116850 411349138 /nfs/dbraw/zinc/34/91/38/411349138.db2.gz WBJFFNGCWXVIQW-OLZOCXBDSA-N 1 0 238.375 2.071 10 0 BEAERO CC1=CCOC[C@@H]1[NH2+]Cc1ccccc1 ZINC000075603669 168116709 /nfs/dbraw/zinc/11/67/09/168116709.db2.gz JCCAPKKAFNRPAP-ZDUSSCGKSA-N 1 0 203.285 2.121 10 0 BEAERO CC1=C[C@H](C)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000336498529 168126752 /nfs/dbraw/zinc/12/67/52/168126752.db2.gz SOEPUXDREALIHL-LBPRGKRZSA-N 1 0 248.370 2.039 10 0 BEAERO CC1CC([NH2+]C[C@@H]2CCCn3ccnc32)C1 ZINC000334522325 168145742 /nfs/dbraw/zinc/14/57/42/168145742.db2.gz BHYWRABYKHIXRW-CXQJBGSLSA-N 1 0 219.332 2.149 10 0 BEAERO CC1CCC(C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000036777273 168152995 /nfs/dbraw/zinc/15/29/95/168152995.db2.gz PHDMJYCJVISVJR-UHFFFAOYSA-N 1 0 247.386 2.421 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000659359111 411375416 /nfs/dbraw/zinc/37/54/16/411375416.db2.gz WMXMKRGJUZSRNY-DGCLKSJQSA-N 1 0 238.375 2.023 10 0 BEAERO CC1CCC([N@H+](C)[C@H]2CCC[C@@H]2N)CC1 ZINC000042487647 168159849 /nfs/dbraw/zinc/15/98/49/168159849.db2.gz ZHEDRJHOONJBHM-TYUFSLCMSA-N 1 0 210.365 2.377 10 0 BEAERO CC1CCC(NC(=O)C2([NH3+])CCCCC2)CC1 ZINC000019505559 168160322 /nfs/dbraw/zinc/16/03/22/168160322.db2.gz PWIFXYGLMDOWNO-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO CC1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000019476519 168162029 /nfs/dbraw/zinc/16/20/29/168162029.db2.gz QSVBSWVBAMFQRB-UBHUBRDASA-N 1 0 246.354 2.381 10 0 BEAERO CC1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000022215214 168162959 /nfs/dbraw/zinc/16/29/59/168162959.db2.gz WKHYIZUDXWVISZ-UHFFFAOYSA-N 1 0 246.354 2.454 10 0 BEAERO C[C@H](C[NH2+]C(C)(C)C)N1CCC(C)CC1 ZINC000052376865 168185854 /nfs/dbraw/zinc/18/58/54/168185854.db2.gz VRDJOQBVPKZWFA-GFCCVEGCSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H](N)[C@H]([NH+]1CCC(C)CC1)C(C)(C)C ZINC000043291292 168186402 /nfs/dbraw/zinc/18/64/02/168186402.db2.gz GWKGYWYRBAHDGC-NEPJUHHUSA-N 1 0 212.381 2.480 10 0 BEAERO CC1CC[NH+]([C@@H]2CCCCC[C@@H]2N)CC1 ZINC000023071618 168186583 /nfs/dbraw/zinc/18/65/83/168186583.db2.gz XELKFMCLAAPBCM-QWHCGFSZSA-N 1 0 210.365 2.378 10 0 BEAERO CC1CC[NH+]([C@H](CO)c2ccccc2)CC1 ZINC000041232810 168187566 /nfs/dbraw/zinc/18/75/66/168187566.db2.gz APIBFERZPMLQHD-CQSZACIVSA-N 1 0 219.328 2.452 10 0 BEAERO CCC(=O)N(CCC[NH3+])c1cccc(C)c1 ZINC000020232596 168214183 /nfs/dbraw/zinc/21/41/83/168214183.db2.gz ZCHVWCPASVHWHM-UHFFFAOYSA-N 1 0 220.316 2.087 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000049281722 168289529 /nfs/dbraw/zinc/28/95/29/168289529.db2.gz ZEGVBDAJYHGXNY-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)NC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055122879 168291479 /nfs/dbraw/zinc/29/14/79/168291479.db2.gz ZCCSZQCCMHYYKT-QWRGUYRKSA-N 1 0 226.364 2.199 10 0 BEAERO CCC(C)(C)NC(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055145503 168295323 /nfs/dbraw/zinc/29/53/23/168295323.db2.gz FDTQABAYCZPOEW-MNOVXSKESA-N 1 0 226.364 2.056 10 0 BEAERO CCC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019487985 168295418 /nfs/dbraw/zinc/29/54/18/168295418.db2.gz CEZCOBFOVZOIIZ-WOPDTQHZSA-N 1 0 238.375 2.212 10 0 BEAERO CCC(C)(C)[NH2+]CCn1c2ccccc2oc1=O ZINC000055481756 168299670 /nfs/dbraw/zinc/29/96/70/168299670.db2.gz DMNKJQCZUGQJPA-UHFFFAOYSA-N 1 0 248.326 2.373 10 0 BEAERO CCC(C)(C)c1nc([C@H]([NH3+])C2CC2)no1 ZINC000054404365 168306971 /nfs/dbraw/zinc/30/69/71/168306971.db2.gz OVKDWDPGMOIMDX-MRVPVSSYSA-N 1 0 209.293 2.167 10 0 BEAERO C[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C[C@@H]1C ZINC000129820762 411394458 /nfs/dbraw/zinc/39/44/58/411394458.db2.gz HPIANNWRFYSCKP-IALDZJHCSA-N 1 0 238.375 2.008 10 0 BEAERO Cc1cc(C)cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000659345498 411400697 /nfs/dbraw/zinc/40/06/97/411400697.db2.gz MKDSFMXRGYKDAJ-UONOGXRCSA-N 1 0 246.354 2.047 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000659372365 411405625 /nfs/dbraw/zinc/40/56/25/411405625.db2.gz AHELVFINACBXIW-FVCCEPFGSA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)CC1(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000659381619 411407480 /nfs/dbraw/zinc/40/74/80/411407480.db2.gz HURQNCVHZKPMJN-LBPRGKRZSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@H](C)[NH+](C)C)n1 ZINC000122386704 411432115 /nfs/dbraw/zinc/43/21/15/411432115.db2.gz ZKULWVRPJGYSSB-NSHDSACASA-N 1 0 236.363 2.270 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000122575171 411432544 /nfs/dbraw/zinc/43/25/44/411432544.db2.gz SFIWNRNTPONARZ-LLVKDONJSA-N 1 0 236.363 2.304 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000122553034 411432953 /nfs/dbraw/zinc/43/29/53/411432953.db2.gz RYOQXJWQDYNHFI-GFCCVEGCSA-N 1 0 248.374 2.320 10 0 BEAERO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)C(C)(C)C ZINC000122644091 411433676 /nfs/dbraw/zinc/43/36/76/411433676.db2.gz STMJRRQTQZISNX-YPMHNXCESA-N 1 0 248.370 2.280 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000123209242 411439056 /nfs/dbraw/zinc/43/90/56/411439056.db2.gz PPKYFKHYSLDYQQ-QNWHQSFQSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)C1CCC([NH3+])CC1 ZINC000070409631 411440489 /nfs/dbraw/zinc/44/04/89/411440489.db2.gz GAVNESNTIGFTGB-PNESKVBLSA-N 1 0 238.375 2.295 10 0 BEAERO CC[N@H+](Cc1cccc(N)c1C)[C@H](C)COC ZINC000042738097 169911240 /nfs/dbraw/zinc/91/12/40/169911240.db2.gz QQLYNUZFBZVKMD-LLVKDONJSA-N 1 0 236.359 2.434 10 0 BEAERO COCc1csc(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000657346230 411470227 /nfs/dbraw/zinc/47/02/27/411470227.db2.gz FQBNGBXDPJQIBS-KCJUWKMLSA-N 1 0 211.330 2.393 10 0 BEAERO OCC1CC([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658354243 411474651 /nfs/dbraw/zinc/47/46/51/411474651.db2.gz YQTKCWYUJCEPNQ-MCIGGMRASA-N 1 0 209.333 2.070 10 0 BEAERO C[C@@H](CCCC(F)(F)F)[NH2+]C1CC(CO)C1 ZINC000658354284 411475464 /nfs/dbraw/zinc/47/54/64/411475464.db2.gz ZHPRLSHQPFUVIP-IDKOKCKLSA-N 1 0 239.281 2.468 10 0 BEAERO CCN(c1ccccc1)[C@H]1CCC[C@@H]1[NH3+] ZINC000040431273 169943301 /nfs/dbraw/zinc/94/33/01/169943301.db2.gz OYFKIKWWWMOYMI-STQMWFEESA-N 1 0 204.317 2.393 10 0 BEAERO CC(C)C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000307847546 411486674 /nfs/dbraw/zinc/48/66/74/411486674.db2.gz VIBDQVXLFWBYHW-QWHCGFSZSA-N 1 0 240.391 2.254 10 0 BEAERO CCN(c1nc(C)c([C@@H](C)[NH3+])s1)C1CC1 ZINC000054895261 169944378 /nfs/dbraw/zinc/94/43/78/169944378.db2.gz XCJBAKYKDSLULU-SSDOTTSWSA-N 1 0 225.361 2.460 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657385881 411489361 /nfs/dbraw/zinc/48/93/61/411489361.db2.gz UPYPHWTYNSDWEY-PWSUYJOCSA-N 1 0 219.332 2.108 10 0 BEAERO CC[NH+]1CCC(Nc2cccc3n[nH]cc32)CC1 ZINC000037783815 169957808 /nfs/dbraw/zinc/95/78/08/169957808.db2.gz QQFBGAYTYAMDEK-UHFFFAOYSA-N 1 0 244.342 2.459 10 0 BEAERO CC[NH+]1CCC(Nc2cccc(O)c2)CC1 ZINC000020193150 169958004 /nfs/dbraw/zinc/95/80/04/169958004.db2.gz IVBRRSYEMALEBM-UHFFFAOYSA-N 1 0 220.316 2.288 10 0 BEAERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cncc(F)c2)CO1 ZINC000657430687 411507919 /nfs/dbraw/zinc/50/79/19/411507919.db2.gz ANXCWERSZOPVBP-OASPWFOLSA-N 1 0 238.306 2.439 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2nc(C)cs2)C1 ZINC000037484454 170008883 /nfs/dbraw/zinc/00/88/83/170008883.db2.gz MPNBJXABBMZKGG-JTQLQIEISA-N 1 0 225.361 2.205 10 0 BEAERO CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C(C)C ZINC000069634042 411466364 /nfs/dbraw/zinc/46/63/64/411466364.db2.gz NYQNWXILSFANBK-SNVBAGLBSA-N 1 0 214.353 2.055 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2ccc(C)cc2N)C1 ZINC000037643678 170010546 /nfs/dbraw/zinc/01/05/46/170010546.db2.gz NFRWOHGRGWQELG-LBPRGKRZSA-N 1 0 233.359 2.331 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000328380142 170014807 /nfs/dbraw/zinc/01/48/07/170014807.db2.gz VAZMPTJXRHWWDL-YPMHNXCESA-N 1 0 234.343 2.341 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2ccc(C)cn2)C1 ZINC000037484455 170017442 /nfs/dbraw/zinc/01/74/42/170017442.db2.gz ZRFJKGDAKKMZRX-GFCCVEGCSA-N 1 0 219.332 2.144 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000328221130 170022683 /nfs/dbraw/zinc/02/26/83/170022683.db2.gz YNAFHMLVFUQQTA-DGAVXFQQSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000336899008 170022760 /nfs/dbraw/zinc/02/27/60/170022760.db2.gz QXDSWSUQBDEYCF-YIYPIFLZSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[N@@H+](C2CCCC2)C[C@H]1C ZINC000336351899 170034135 /nfs/dbraw/zinc/03/41/35/170034135.db2.gz WMQHMSKQWGEALE-NEPJUHHUSA-N 1 0 210.365 2.344 10 0 BEAERO CCN1C[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC000309034843 170034945 /nfs/dbraw/zinc/03/49/45/170034945.db2.gz HOFOMBIJFSYNPG-RYUDHWBXSA-N 1 0 212.381 2.352 10 0 BEAERO CCN1C[C@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC000309897292 170035886 /nfs/dbraw/zinc/03/58/86/170035886.db2.gz GIYHLHVRSARQJU-JSGCOSHPSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000309034595 170039326 /nfs/dbraw/zinc/03/93/26/170039326.db2.gz HJHCUHJFXFDRSM-YNEHKIRRSA-N 1 0 212.381 2.351 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000336763988 170040236 /nfs/dbraw/zinc/04/02/36/170040236.db2.gz PMFJRTVGBCFJQA-ZDEQEGDKSA-N 1 0 210.365 2.105 10 0 BEAERO CCNC(=[NH2+])Nc1cccc2ccc(C)nc21 ZINC000061875567 170042475 /nfs/dbraw/zinc/04/24/75/170042475.db2.gz BWSVCBUPHGNWFD-UHFFFAOYSA-N 1 0 228.299 2.499 10 0 BEAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000135715155 170052697 /nfs/dbraw/zinc/05/26/97/170052697.db2.gz AGWICEVDYCEUGP-ZDUSSCGKSA-N 1 0 248.370 2.480 10 0 BEAERO CCNC(=O)[C@@H](CCC[NH3+])c1cc(C)ccc1C ZINC000076634539 170089680 /nfs/dbraw/zinc/08/96/80/170089680.db2.gz SGJHPBVXURBRMX-ZDUSSCGKSA-N 1 0 248.370 2.262 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@H]1CC ZINC000061288741 170106088 /nfs/dbraw/zinc/10/60/88/170106088.db2.gz PRGNUUURXOWGCG-LLVKDONJSA-N 1 0 226.364 2.166 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(C)C1CCCCC1 ZINC000061287434 170106127 /nfs/dbraw/zinc/10/61/27/170106127.db2.gz NEJJOXHVZAUNSC-UHFFFAOYSA-N 1 0 226.364 2.166 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000061299379 170106712 /nfs/dbraw/zinc/10/67/12/170106712.db2.gz BONDGFQLJIXHPA-QWRGUYRKSA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000061299380 170106764 /nfs/dbraw/zinc/10/67/64/170106764.db2.gz BONDGFQLJIXHPA-MNOVXSKESA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000061287930 170107588 /nfs/dbraw/zinc/10/75/88/170107588.db2.gz QIHWONAIVIEBKP-QWRGUYRKSA-N 1 0 226.364 2.164 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000061287604 170107656 /nfs/dbraw/zinc/10/76/56/170107656.db2.gz WXCIVYOFTKHFGN-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000061287613 170107753 /nfs/dbraw/zinc/10/77/53/170107753.db2.gz WXCIVYOFTKHFGN-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]CC(=O)c1ccc(OC(C)C)c(F)c1 ZINC000071549394 170110366 /nfs/dbraw/zinc/11/03/66/170110366.db2.gz SPICESXWMLHKSR-UHFFFAOYSA-N 1 0 239.290 2.405 10 0 BEAERO CC[NH2+]CCC(=O)N1CCC(C(C)(C)C)CC1 ZINC000061299345 170111845 /nfs/dbraw/zinc/11/18/45/170111845.db2.gz IBJJSKMUKTUTDH-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO CC[NH2+]CCCOc1ccc(C)cc1OC ZINC000020525415 170113068 /nfs/dbraw/zinc/11/30/68/170113068.db2.gz VTRZZOUCGIBPCJ-UHFFFAOYSA-N 1 0 223.316 2.382 10 0 BEAERO CC[NH2+]CCc1cc(C)c(OC)cc1C ZINC000082594312 170117101 /nfs/dbraw/zinc/11/71/01/170117101.db2.gz NMTCFJKAVYBAGG-UHFFFAOYSA-N 1 0 207.317 2.464 10 0 BEAERO CC[NH2+]CC[C@@H](O)c1cc(C)c(OC)cc1C ZINC000049828988 170117182 /nfs/dbraw/zinc/11/71/82/170117182.db2.gz QWHYPODKMJITTO-CYBMUJFWSA-N 1 0 237.343 2.345 10 0 BEAERO CC[NH2+]CCc1c[nH]c2cc(OC)cc(OC)c12 ZINC000107293777 170117230 /nfs/dbraw/zinc/11/72/30/170117230.db2.gz IWWZEHBMRWLVEV-UHFFFAOYSA-N 1 0 248.326 2.337 10 0 BEAERO CC[NH2+]CCc1c[nH]c2ccc(OC)cc12 ZINC000013737388 170117475 /nfs/dbraw/zinc/11/74/75/170117475.db2.gz UNPLGMNGAFLKSH-UHFFFAOYSA-N 1 0 218.300 2.329 10 0 BEAERO CC[NH2+]CC[C@@H](O)c1ccc(CC)cc1 ZINC000049814042 170117525 /nfs/dbraw/zinc/11/75/25/170117525.db2.gz IHSDCBWNIAMQPY-CYBMUJFWSA-N 1 0 207.317 2.282 10 0 BEAERO CC[NH2+]CC[C@H](O)c1cc(C)ccc1OC ZINC000049819429 170117589 /nfs/dbraw/zinc/11/75/89/170117589.db2.gz DHHRXWFZYYKUBK-LBPRGKRZSA-N 1 0 223.316 2.037 10 0 BEAERO CC[NH2+]CCc1nc(-c2ccc(F)cc2)no1 ZINC000051784440 170118467 /nfs/dbraw/zinc/11/84/67/170118467.db2.gz YPUDIIKMDBWOPC-UHFFFAOYSA-N 1 0 235.262 2.028 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2ccc(C)cc2)C1 ZINC000053012917 170120020 /nfs/dbraw/zinc/12/00/20/170120020.db2.gz QNHRKVFXCYRECA-ZDUSSCGKSA-N 1 0 218.344 2.431 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000055028150 170120409 /nfs/dbraw/zinc/12/04/09/170120409.db2.gz FLAPYMCYNBOSQZ-SNVBAGLBSA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+]C[C@@H](OCCOC)c1ccc(F)cc1 ZINC000050495904 170120428 /nfs/dbraw/zinc/12/04/28/170120428.db2.gz FFTJYHFKGCEWLO-CYBMUJFWSA-N 1 0 241.306 2.139 10 0 BEAERO CC[NH2+]C[C@@H]1CC12Cc1ccccc1C2 ZINC000054591632 170120434 /nfs/dbraw/zinc/12/04/34/170120434.db2.gz BKEZWRVLXPMKAC-ZDUSSCGKSA-N 1 0 201.313 2.401 10 0 BEAERO CC[NH2+]C[C@@H]1CCCN1c1nc(C)cs1 ZINC000053696578 170120473 /nfs/dbraw/zinc/12/04/73/170120473.db2.gz CMZGQSCLLIMPMW-JTQLQIEISA-N 1 0 225.361 2.030 10 0 BEAERO CC[NH2+]C[C@@]1(Cc2ccccc2F)CCOC1 ZINC000054664087 170120791 /nfs/dbraw/zinc/12/07/91/170120791.db2.gz AKXZHHFFNDPUMY-AWEZNQCLSA-N 1 0 237.318 2.384 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1ccc(Cl)cc1 ZINC000032012877 170121262 /nfs/dbraw/zinc/12/12/62/170121262.db2.gz QOCNTUNCBKBUTR-LLVKDONJSA-N 1 0 213.708 2.157 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1cccc(C)c1 ZINC000061236163 170121270 /nfs/dbraw/zinc/12/12/70/170121270.db2.gz RNYRPABREZBWDV-ZDUSSCGKSA-N 1 0 248.370 2.199 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000054590384 170121271 /nfs/dbraw/zinc/12/12/71/170121271.db2.gz KINJTZGGTOFMEW-GXTWGEPZSA-N 1 0 218.344 2.466 10 0 BEAERO CC[NH2+]C[C@H](O)COc1cccc(C(C)C)c1 ZINC000033466165 170121999 /nfs/dbraw/zinc/12/19/99/170121999.db2.gz CNPBBNSLSWVNTH-ZDUSSCGKSA-N 1 0 237.343 2.159 10 0 BEAERO CC[NH2+]C[C@H](C)n1ncc2ccccc21 ZINC000052574246 170122214 /nfs/dbraw/zinc/12/22/14/170122214.db2.gz XYYDAEGLMVBZCD-JTQLQIEISA-N 1 0 203.289 2.207 10 0 BEAERO CC[NH2+]C[C@H]1CCCCN1CCc1cccnc1 ZINC000104409046 170122563 /nfs/dbraw/zinc/12/25/63/170122563.db2.gz DCJVZTKUUJJPIM-OAHLLOKOSA-N 1 0 247.386 2.088 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1cc(OC)ccc1OC ZINC000054590726 170123249 /nfs/dbraw/zinc/12/32/49/170123249.db2.gz KJTPMRYJQWZRNU-ZYHUDNBSSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2ccccc2C)C1 ZINC000053012970 170123272 /nfs/dbraw/zinc/12/32/72/170123272.db2.gz BPDKXEPXFYCLPJ-CYBMUJFWSA-N 1 0 218.344 2.431 10 0 BEAERO CC[NH2+]C[C@](C)(CC)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000051209965 170123725 /nfs/dbraw/zinc/12/37/25/170123725.db2.gz FTPQLRJJCONKIN-MJBXVCDLSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000053012400 170123787 /nfs/dbraw/zinc/12/37/87/170123787.db2.gz DFZRKRABBGMWKC-LLVKDONJSA-N 1 0 222.307 2.262 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000054590386 170123860 /nfs/dbraw/zinc/12/38/60/170123860.db2.gz KINJTZGGTOFMEW-TZMCWYRMSA-N 1 0 218.344 2.466 10 0 BEAERO CC[NH2+]Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000082297180 170124393 /nfs/dbraw/zinc/12/43/93/170124393.db2.gz MXIMBNBUHLRGIL-UHFFFAOYSA-N 1 0 230.311 2.254 10 0 BEAERO CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000062821031 170124773 /nfs/dbraw/zinc/12/47/73/170124773.db2.gz NQCFXEHJTQPKEW-UHFFFAOYSA-N 1 0 201.273 2.186 10 0 BEAERO CC[NH2+]Cc1cc(Cl)c(O)c(OC)c1 ZINC000032021270 170125402 /nfs/dbraw/zinc/12/54/02/170125402.db2.gz RYIFHTOJPRKTBC-UHFFFAOYSA-N 1 0 215.680 2.164 10 0 BEAERO CC[NH2+]Cc1cc(OC)ccc1OCC(F)F ZINC000037755445 170125545 /nfs/dbraw/zinc/12/55/45/170125545.db2.gz FVHALNDZNHIXRG-UHFFFAOYSA-N 1 0 245.269 2.449 10 0 BEAERO CC[NH2+]Cc1ccc(-n2ccnc2C)cc1 ZINC000034825316 170126403 /nfs/dbraw/zinc/12/64/03/170126403.db2.gz CRBGCMAQTCVDTG-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1ccc(CO[C@H]2CCOC2)cc1 ZINC000110532898 170126985 /nfs/dbraw/zinc/12/69/85/170126985.db2.gz FUURCBDVZBUZHO-AWEZNQCLSA-N 1 0 235.327 2.102 10 0 BEAERO CC[NH2+]Cc1ccc(N(C)c2ccccc2)nn1 ZINC000051399627 170127590 /nfs/dbraw/zinc/12/75/90/170127590.db2.gz HPLBRQGUSRXSPP-UHFFFAOYSA-N 1 0 242.326 2.354 10 0 BEAERO CC[NH2+]Cc1cccc(NC(=O)c2ccc[nH]2)c1 ZINC000036281371 170128453 /nfs/dbraw/zinc/12/84/53/170128453.db2.gz DUAVTDVJIGCJLL-UHFFFAOYSA-N 1 0 243.310 2.377 10 0 BEAERO CC[NH2+]Cc1cccnc1N1CC[C@@H](C)C1 ZINC000051448267 170129005 /nfs/dbraw/zinc/12/90/05/170129005.db2.gz BYGAPFRJPWJOLP-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1ccnc(N2CCC[C@H]2C)c1 ZINC000051398799 170129266 /nfs/dbraw/zinc/12/92/66/170129266.db2.gz KCFHODRVRJDLLC-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccon1 ZINC000044587159 170129267 /nfs/dbraw/zinc/12/92/67/170129267.db2.gz AGYKDVFLWSNAAD-UHFFFAOYSA-N 1 0 245.282 2.036 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)CSC ZINC000036281514 170129268 /nfs/dbraw/zinc/12/92/68/170129268.db2.gz JQWADHSPTGJNPA-UHFFFAOYSA-N 1 0 238.356 2.098 10 0 BEAERO CC[NH2+]Cc1cccnc1-n1cc(Cl)cn1 ZINC000051492474 170129454 /nfs/dbraw/zinc/12/94/54/170129454.db2.gz ATCIUDYWMJQDQJ-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1cnn(Cc2cccc(F)c2)c1C ZINC000071193506 170130655 /nfs/dbraw/zinc/13/06/55/170130655.db2.gz YYCFQNXDSDCYKD-UHFFFAOYSA-N 1 0 247.317 2.488 10 0 BEAERO CC[NH2+]Cc1nc2ccc(F)cc2n1CC ZINC000052124619 170132149 /nfs/dbraw/zinc/13/21/49/170132149.db2.gz CLAUKHKOUVHWLM-UHFFFAOYSA-N 1 0 221.279 2.305 10 0 BEAERO CC[NH2+]Cc1sc([C@H]2CCCO2)nc1C ZINC000062214222 170133099 /nfs/dbraw/zinc/13/30/99/170133099.db2.gz JALKWTVHVPVJOC-SECBINFHSA-N 1 0 226.345 2.413 10 0 BEAERO CC[NH2+][C@@H](C(N)=O)c1csc2ccccc21 ZINC000054464932 170137725 /nfs/dbraw/zinc/13/77/25/170137725.db2.gz JXWAHKOWYFFBHC-LLVKDONJSA-N 1 0 234.324 2.037 10 0 BEAERO CC[NH2+][C@@H](C)CN1CCCc2ccccc2C1 ZINC000062944507 170138909 /nfs/dbraw/zinc/13/89/09/170138909.db2.gz HHDJEMBHZIFHKW-ZDUSSCGKSA-N 1 0 232.371 2.433 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nc2cc(C)ccc2n1C ZINC000061181841 170139870 /nfs/dbraw/zinc/13/98/70/170139870.db2.gz GVUFTBDQPMTPPU-NSHDSACASA-N 1 0 231.343 2.422 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nnc(C2CCCCC2)[nH]1 ZINC000061213742 170140058 /nfs/dbraw/zinc/14/00/58/170140058.db2.gz IHGRLTCGQMXCOL-JTQLQIEISA-N 1 0 236.363 2.393 10 0 BEAERO CC[NH2+][C@@H](C)c1c(F)cccc1OCCCO ZINC000034845395 170140886 /nfs/dbraw/zinc/14/08/86/170140886.db2.gz OQINATUFYFIQNQ-JTQLQIEISA-N 1 0 241.306 2.257 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(C)c(C)c1 ZINC000039105562 170140961 /nfs/dbraw/zinc/14/09/61/170140961.db2.gz OBPVXOPEMRBTNE-WCQYABFASA-N 1 0 207.317 2.335 10 0 BEAERO CC[NH2+][C@@H](COC)c1ccc(OCC)cc1 ZINC000044043695 170146438 /nfs/dbraw/zinc/14/64/38/170146438.db2.gz SSFRXIIKHIAEOT-ZDUSSCGKSA-N 1 0 223.316 2.382 10 0 BEAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1cncc(F)c1 ZINC000049576347 170146506 /nfs/dbraw/zinc/14/65/06/170146506.db2.gz YRBDTSWDKNQQBW-OLZOCXBDSA-N 1 0 238.306 2.440 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccccc1F ZINC000035570328 170146623 /nfs/dbraw/zinc/14/66/23/170146623.db2.gz YPIGKWXDNZJAFF-LBPRGKRZSA-N 1 0 233.290 2.442 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)Cc1cccc(F)c1 ZINC000035570226 170146857 /nfs/dbraw/zinc/14/68/57/170146857.db2.gz JYPFWFSGLASPEJ-ZDUSSCGKSA-N 1 0 247.317 2.312 10 0 BEAERO CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H]1COCCO1 ZINC000055299914 170147559 /nfs/dbraw/zinc/14/75/59/170147559.db2.gz BQQSAMNZRBMDAC-KBPBESRZSA-N 1 0 235.327 2.061 10 0 BEAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1COCCO1 ZINC000055299825 170147647 /nfs/dbraw/zinc/14/76/47/170147647.db2.gz YVXOFIUWMWOAIO-CMPLNLGQSA-N 1 0 241.356 2.123 10 0 BEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)C1CC1 ZINC000035550053 170148178 /nfs/dbraw/zinc/14/81/78/170148178.db2.gz ZPUFDLPUBKPLLP-CQSZACIVSA-N 1 0 230.311 2.242 10 0 BEAERO CC[NH2+][C@@H](c1cccc(OC)c1)[C@H]1CCOC1 ZINC000104101604 170148406 /nfs/dbraw/zinc/14/84/06/170148406.db2.gz YRWNUYLWMPALMW-JSGCOSHPSA-N 1 0 235.327 2.382 10 0 BEAERO CC[NH2+][C@@H]1CC(C)(C)Cc2nc(C)ncc21 ZINC000050101188 170149382 /nfs/dbraw/zinc/14/93/82/170149382.db2.gz LBWOYAJJWDHUSW-LLVKDONJSA-N 1 0 219.332 2.408 10 0 BEAERO CC[NH2+][C@H]1c2ccc(OCC3CC3)cc2NC1=O ZINC000103929033 170149621 /nfs/dbraw/zinc/14/96/21/170149621.db2.gz UBZHGIIABGKCHL-ZDUSSCGKSA-N 1 0 246.310 2.078 10 0 BEAERO CC[NH2+][C@@H](c1cnccn1)c1ccccc1C ZINC000037536053 170149839 /nfs/dbraw/zinc/14/98/39/170149839.db2.gz MGVVGJBRGCLVGX-CQSZACIVSA-N 1 0 227.311 2.484 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@H]1c1cncc(F)c1 ZINC000060716314 170151371 /nfs/dbraw/zinc/15/13/71/170151371.db2.gz CLNVFNOYHBWSJV-NWDGAFQWSA-N 1 0 208.280 2.466 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccccc2C)C1 ZINC000048265870 170151492 /nfs/dbraw/zinc/15/14/92/170151492.db2.gz GMAWXFKITHKDKF-CQSZACIVSA-N 1 0 218.344 2.179 10 0 BEAERO CC[NH2+][C@@H]1CCN(C[C@H]2CCCC[C@@H]2C)C1=O ZINC000042864339 170152032 /nfs/dbraw/zinc/15/20/32/170152032.db2.gz ZZGOABCGMJXKFP-YNEHKIRRSA-N 1 0 238.375 2.023 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccccc2F)C1 ZINC000037241439 170152040 /nfs/dbraw/zinc/15/20/40/170152040.db2.gz GRNYNTKQXOYEFT-GFCCVEGCSA-N 1 0 222.307 2.010 10 0 BEAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)CCCOC ZINC000062031196 170152493 /nfs/dbraw/zinc/15/24/93/170152493.db2.gz DYNWJXPWLATRHL-MCIONIFRSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccccc2C)C1 ZINC000037242171 170153101 /nfs/dbraw/zinc/15/31/01/170153101.db2.gz PZPUUIIOWGIVPU-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(F)c2C)C1 ZINC000043321302 170153230 /nfs/dbraw/zinc/15/32/30/170153230.db2.gz AINJHCRBQAIZSA-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@@H]1CCc2c1cccc2O[C@@H]1CCOC1 ZINC000070072001 170153709 /nfs/dbraw/zinc/15/37/09/170153709.db2.gz WXWARESXCTWQJF-BXUZGUMPSA-N 1 0 247.338 2.451 10 0 BEAERO CC[NH2+][C@@H]1COc2ccc(Br)cc21 ZINC000035657579 170153809 /nfs/dbraw/zinc/15/38/09/170153809.db2.gz TVNRVSZATDLTQU-SECBINFHSA-N 1 0 242.116 2.492 10 0 BEAERO CC[NH2+][C@@H]1CC[S@@](=O)c2c(F)cc(F)cc21 ZINC000040977135 170154022 /nfs/dbraw/zinc/15/40/22/170154022.db2.gz XOIMWNCQKHPCIR-HWPZZCPQSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1OC ZINC000044042810 170154684 /nfs/dbraw/zinc/15/46/84/170154684.db2.gz YWBYUFVKNKOEKS-CHWSQXEVSA-N 1 0 205.301 2.298 10 0 BEAERO CC[NH2+][C@H](C(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000037869605 170155999 /nfs/dbraw/zinc/15/59/99/170155999.db2.gz YZJIBYDRKJSBBW-LBPRGKRZSA-N 1 0 234.343 2.120 10 0 BEAERO CC[NH2+][C@@]1(CO)CCCCc2ccccc21 ZINC000038120223 170156251 /nfs/dbraw/zinc/15/62/51/170156251.db2.gz PIKVMLMHTANWFD-CQSZACIVSA-N 1 0 219.328 2.210 10 0 BEAERO CC[NH2+][C@@]1(C(N)=O)CCCC[C@H]1C(C)(C)C ZINC000037869487 170156268 /nfs/dbraw/zinc/15/62/68/170156268.db2.gz YWWMFXSGEQKNIH-GWCFXTLKSA-N 1 0 226.364 2.056 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1F ZINC000061269082 170156893 /nfs/dbraw/zinc/15/68/93/170156893.db2.gz YIACMZYQCZQWKG-MRVPVSSYSA-N 1 0 242.269 2.291 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000061274098 170156948 /nfs/dbraw/zinc/15/69/48/170156948.db2.gz BXDZBBCMHJJTPR-XQQFMLRXSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@H](C)Cc1nnc(C2CCCCC2)[nH]1 ZINC000061213743 170158553 /nfs/dbraw/zinc/15/85/53/170158553.db2.gz IHGRLTCGQMXCOL-SNVBAGLBSA-N 1 0 236.363 2.393 10 0 BEAERO CC[NH2+][C@H](C)c1nc2c(cccc2F)[nH]1 ZINC000062366096 170159915 /nfs/dbraw/zinc/15/99/15/170159915.db2.gz YGCAJUNWJPGMNK-SSDOTTSWSA-N 1 0 207.252 2.373 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc(OC(C)C)c(F)c1 ZINC000071550656 170162114 /nfs/dbraw/zinc/16/21/14/170162114.db2.gz IHAUZVKNOMGOTI-GFCCVEGCSA-N 1 0 241.306 2.256 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)Cc1cccc(F)c1 ZINC000035570228 170162129 /nfs/dbraw/zinc/16/21/29/170162129.db2.gz JYPFWFSGLASPEJ-CYBMUJFWSA-N 1 0 247.317 2.312 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)Cc1ccccc1 ZINC000035570537 170162540 /nfs/dbraw/zinc/16/25/40/170162540.db2.gz CNBRNROSVKBNBR-CYBMUJFWSA-N 1 0 229.327 2.173 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc(F)c(Cl)c1 ZINC000083264182 170162735 /nfs/dbraw/zinc/16/27/35/170162735.db2.gz NNINNYLFIHDZRN-SNVBAGLBSA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cccc(C)c1 ZINC000035556005 170164396 /nfs/dbraw/zinc/16/43/96/170164396.db2.gz OMXKAQKWFGCVIY-CQSZACIVSA-N 1 0 229.327 2.427 10 0 BEAERO CC[NH2+][C@H](c1sccc1C)[C@H]1COCCO1 ZINC000055301124 170165307 /nfs/dbraw/zinc/16/53/07/170165307.db2.gz ZNHNJNGNOADPBF-MNOVXSKESA-N 1 0 241.356 2.123 10 0 BEAERO CC[NH2+][C@@H]1c2ccc(SCC)cc2NC1=O ZINC000102454689 170166120 /nfs/dbraw/zinc/16/61/20/170166120.db2.gz IFZFRFCPMSRDDY-LLVKDONJSA-N 1 0 236.340 2.401 10 0 BEAERO CC[NH2+][C@H]1CCCc2nc(N(C)C)sc21 ZINC000054901306 170166394 /nfs/dbraw/zinc/16/63/94/170166394.db2.gz UHIFWPGIBUOCAX-QMMMGPOBSA-N 1 0 225.361 2.196 10 0 BEAERO CC[NH2+][C@H]1CCC[C@@H]1n1cnc(C)c1C ZINC000051926865 170166421 /nfs/dbraw/zinc/16/64/21/170166421.db2.gz HLANFZKLEPFFIH-RYUDHWBXSA-N 1 0 207.321 2.203 10 0 BEAERO CC[NH2+][C@H]1CCC[S@@](=O)c2c(F)cccc21 ZINC000040976272 170167166 /nfs/dbraw/zinc/16/71/66/170167166.db2.gz NHCKQJDJQDTBDJ-ZBEGNZNMSA-N 1 0 241.331 2.378 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccsc2)C1=O ZINC000061363813 170167841 /nfs/dbraw/zinc/16/78/41/170167841.db2.gz APZSZIYYEXWFJD-ONGXEEELSA-N 1 0 238.356 2.020 10 0 BEAERO CC[NH2+][C@H]1CCN(CCc2ccncc2)[C@H](C)C1 ZINC000049712972 170167969 /nfs/dbraw/zinc/16/79/69/170167969.db2.gz YCCKUSVXGNFAOV-HIFRSBDPSA-N 1 0 247.386 2.087 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(C)ccc2C)C1 ZINC000037240192 170167995 /nfs/dbraw/zinc/16/79/95/170167995.db2.gz KRRFDMXKFDCMHF-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(CC)c2)C1 ZINC000037241896 170168202 /nfs/dbraw/zinc/16/82/02/170168202.db2.gz XFDSIOJMZATITI-ZDUSSCGKSA-N 1 0 218.344 2.437 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccccc2CC)C1 ZINC000037241399 170168355 /nfs/dbraw/zinc/16/83/55/170168355.db2.gz DSFKSWXTLNXNAC-ZDUSSCGKSA-N 1 0 218.344 2.437 10 0 BEAERO CC[NH2+][C@H]1CC[S@](=O)c2c(F)ccc(F)c21 ZINC000040977585 170168565 /nfs/dbraw/zinc/16/85/65/170168565.db2.gz ICVIFZYIUZIEHH-XXFAHNHDSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@H]1CCc2c1cccc2OCC(C)(C)O ZINC000062799627 170168905 /nfs/dbraw/zinc/16/89/05/170168905.db2.gz SBUXFDQPPVZGGH-ZDUSSCGKSA-N 1 0 249.354 2.433 10 0 BEAERO CC[NH2+][C@H]1CCOC[C@H]1Cc1cccc(F)c1 ZINC000095091506 170168940 /nfs/dbraw/zinc/16/89/40/170168940.db2.gz QAUXKHASNAOBNA-OCCSQVGLSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@]1(CO)CCCCc2ccccc21 ZINC000038120222 170170085 /nfs/dbraw/zinc/17/00/85/170170085.db2.gz PIKVMLMHTANWFD-AWEZNQCLSA-N 1 0 219.328 2.210 10 0 BEAERO CCNc1cc(C[N@@H+]2CC[C@@H](C)C2)ccn1 ZINC000052723171 170171753 /nfs/dbraw/zinc/17/17/53/170171753.db2.gz UPZSKBWPXYCDJQ-LLVKDONJSA-N 1 0 219.332 2.355 10 0 BEAERO CCNc1ncccc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061933816 170178410 /nfs/dbraw/zinc/17/84/10/170178410.db2.gz RVLPTKRXZMYYGC-LBPRGKRZSA-N 1 0 249.358 2.124 10 0 BEAERO CCOC(=O)C(C)(C)[C@H]([NH3+])Cc1ccccc1 ZINC000005324978 170188001 /nfs/dbraw/zinc/18/80/01/170188001.db2.gz GYRGEGVKRUUWLH-GFCCVEGCSA-N 1 0 235.327 2.146 10 0 BEAERO CCOC(=O)C(C)(C)[C@@H]([NH3+])Cc1ccccc1 ZINC000005325006 170188349 /nfs/dbraw/zinc/18/83/49/170188349.db2.gz GYRGEGVKRUUWLH-LBPRGKRZSA-N 1 0 235.327 2.146 10 0 BEAERO CCOC(=O)CC[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000363926417 170207140 /nfs/dbraw/zinc/20/71/40/170207140.db2.gz WEDOQKLVMQSSAW-NWDGAFQWSA-N 1 0 225.332 2.204 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1cccc(C)c1C ZINC000045689219 170208754 /nfs/dbraw/zinc/20/87/54/170208754.db2.gz OVEIRQFODFAFSN-UHFFFAOYSA-N 1 0 235.327 2.346 10 0 BEAERO CCOC(=O)CC[NH2+]CC1CCCCC1 ZINC000037247577 170209242 /nfs/dbraw/zinc/20/92/42/170209242.db2.gz RUMMXHMYUUTGIC-UHFFFAOYSA-N 1 0 213.321 2.110 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1c(C)cccc1C ZINC000083362436 170209474 /nfs/dbraw/zinc/20/94/74/170209474.db2.gz KRSKZPJHGSSTCH-UHFFFAOYSA-N 1 0 235.327 2.346 10 0 BEAERO CCOC(=O)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000049566478 170210081 /nfs/dbraw/zinc/21/00/81/170210081.db2.gz HRTISCOMLNENJX-NSHDSACASA-N 1 0 239.315 2.144 10 0 BEAERO CCOC(=O)COc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000026470158 170229170 /nfs/dbraw/zinc/22/91/70/170229170.db2.gz POBWKXRDPWEVEZ-ZDUSSCGKSA-N 1 0 249.310 2.053 10 0 BEAERO CCOC(=O)C[C@@](C)([NH3+])C1CCCCC1 ZINC000086851678 170232505 /nfs/dbraw/zinc/23/25/05/170232505.db2.gz AZKHYVVOGIYWTL-GFCCVEGCSA-N 1 0 213.321 2.237 10 0 BEAERO CCOC(=O)N(CCC[NH3+])c1ccccc1F ZINC000034959929 170238269 /nfs/dbraw/zinc/23/82/69/170238269.db2.gz BPKURZDYQVZDGE-UHFFFAOYSA-N 1 0 240.278 2.137 10 0 BEAERO CCOC(=O)[C@@H](C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000049374761 170248778 /nfs/dbraw/zinc/24/87/78/170248778.db2.gz IGHIJJZBEBFRBD-SECBINFHSA-N 1 0 247.298 2.051 10 0 BEAERO CCOC(=O)[C@H](C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000049374763 170270762 /nfs/dbraw/zinc/27/07/62/170270762.db2.gz IGHIJJZBEBFRBD-VIFPVBQESA-N 1 0 247.298 2.051 10 0 BEAERO CCOC(=O)c1c(C)[nH]c(C[NH2+]C(C)C)c1C ZINC000049455843 170287354 /nfs/dbraw/zinc/28/73/54/170287354.db2.gz VAADNWBICOUJIN-UHFFFAOYSA-N 1 0 238.331 2.306 10 0 BEAERO CCOC1CC([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000224395781 170329097 /nfs/dbraw/zinc/32/90/97/170329097.db2.gz KDBPBVATPUNYHQ-UHFFFAOYSA-N 1 0 239.290 2.188 10 0 BEAERO CCOC1CCN(CCC[NH2+]C(C)(C)C)CC1 ZINC000042361911 170332786 /nfs/dbraw/zinc/33/27/86/170332786.db2.gz PARNUDDYIQPJHC-UHFFFAOYSA-N 1 0 242.407 2.266 10 0 BEAERO CCOCCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000373898501 170369616 /nfs/dbraw/zinc/36/96/16/170369616.db2.gz PKWQMNYWRSRKHV-XQQFMLRXSA-N 1 0 241.375 2.206 10 0 BEAERO CCOCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1CC ZINC000083370825 170374334 /nfs/dbraw/zinc/37/43/34/170374334.db2.gz YXFLQDRAPSEXOJ-KBPBESRZSA-N 1 0 242.407 2.121 10 0 BEAERO CCOCCC[N@@H+]1Cc2cccc(N)c2C1 ZINC000036683576 170376516 /nfs/dbraw/zinc/37/65/16/170376516.db2.gz UUIZLHAYRXAWES-UHFFFAOYSA-N 1 0 220.316 2.011 10 0 BEAERO CCOCCC[NH2+]CCN1CC[C@H](C)C[C@@H]1C ZINC000053387320 170380140 /nfs/dbraw/zinc/38/01/40/170380140.db2.gz LBXWFUNDYBTSEN-KBPBESRZSA-N 1 0 242.407 2.123 10 0 BEAERO CCOCCC[NH2+]CCN1CCCC[C@@H]1CC ZINC000053375596 170380432 /nfs/dbraw/zinc/38/04/32/170380432.db2.gz UENDMRJWNWSSEU-AWEZNQCLSA-N 1 0 242.407 2.267 10 0 BEAERO CCOCCC[NH2+]C[C@@H](C)n1cnc(C)c1C ZINC000053535623 170380913 /nfs/dbraw/zinc/38/09/13/170380913.db2.gz KBSVVLNCVMWQKL-LLVKDONJSA-N 1 0 239.363 2.077 10 0 BEAERO CCOCC[N@H+](CC)Cc1cc(F)ccc1N ZINC000104189641 170394601 /nfs/dbraw/zinc/39/46/01/170394601.db2.gz LOTBRHCBXZQKJA-UHFFFAOYSA-N 1 0 240.322 2.266 10 0 BEAERO CCOCC[N@H+](CC)[C@H]1CNc2ccccc2C1 ZINC000104201807 170395660 /nfs/dbraw/zinc/39/56/60/170395660.db2.gz LYDZHDFEDIIETE-CQSZACIVSA-N 1 0 248.370 2.382 10 0 BEAERO CCOCCN(CCC[NH3+])c1ccccc1C ZINC000035358871 170396960 /nfs/dbraw/zinc/39/69/60/170396960.db2.gz QHFVRHPXKJHLCP-UHFFFAOYSA-N 1 0 236.359 2.187 10 0 BEAERO CCOCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000308574691 170415794 /nfs/dbraw/zinc/41/57/94/170415794.db2.gz DAUCTPKBEUIXEX-QWRGUYRKSA-N 1 0 203.301 2.141 10 0 BEAERO CO[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1CCCC1 ZINC000663366400 411637689 /nfs/dbraw/zinc/63/76/89/411637689.db2.gz IGNVJNVVEYDDPQ-CHWSQXEVSA-N 1 0 243.391 2.188 10 0 BEAERO CO[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1CCCC1 ZINC000663366403 411638878 /nfs/dbraw/zinc/63/88/78/411638878.db2.gz IGNVJNVVEYDDPQ-STQMWFEESA-N 1 0 243.391 2.188 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CC3CC=CC3)C[C@@H]2C1 ZINC000660805949 411640588 /nfs/dbraw/zinc/64/05/88/411640588.db2.gz GZEFNECEFXREGZ-MELADBBJSA-N 1 0 221.344 2.045 10 0 BEAERO CCOCCO[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042916468 170421971 /nfs/dbraw/zinc/42/19/71/170421971.db2.gz GVGMOMIVBDICEY-MFKMUULPSA-N 1 0 241.306 2.267 10 0 BEAERO CCOCCO[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043047391 170422421 /nfs/dbraw/zinc/42/24/21/170422421.db2.gz SDGQPRSTPGPSFY-GWCFXTLKSA-N 1 0 241.306 2.267 10 0 BEAERO CN1C[C@H](C[NH2+]CC2CCCCCC2)CC1=O ZINC000657696559 411581145 /nfs/dbraw/zinc/58/11/45/411581145.db2.gz KPSLIJCLAXFEDS-ZDUSSCGKSA-N 1 0 238.375 2.025 10 0 BEAERO CCc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)[nH]1 ZINC000131642890 411581805 /nfs/dbraw/zinc/58/18/05/411581805.db2.gz NUTRUVJKRDTUOC-GUBZILKMSA-N 1 0 222.336 2.206 10 0 BEAERO CCOC[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000044688728 170446992 /nfs/dbraw/zinc/44/69/92/170446992.db2.gz WIMVCRJRCHVJAW-QWRGUYRKSA-N 1 0 208.305 2.157 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(CO)C1 ZINC000657810539 411600564 /nfs/dbraw/zinc/60/05/64/411600564.db2.gz GNHHZNBAKDWIHS-CQLXCSJHSA-N 1 0 211.349 2.173 10 0 BEAERO Cc1ccc(C[NH2+]C2CC(CO)C2)c(C)c1 ZINC000657808916 411601559 /nfs/dbraw/zinc/60/15/59/411601559.db2.gz QLCPWPAHOBJWKH-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO CC(C)(C[NH2+]C1CC(CO)C1)c1ccccc1 ZINC000657810377 411602644 /nfs/dbraw/zinc/60/26/44/411602644.db2.gz CTBSSAVVHDLOEJ-UHFFFAOYSA-N 1 0 233.355 2.325 10 0 BEAERO Cc1cc(C[NH2+]C2CC(CO)C2)c(C)s1 ZINC000657812743 411604303 /nfs/dbraw/zinc/60/43/03/411604303.db2.gz MVCCCKHNQAIJPB-UHFFFAOYSA-N 1 0 225.357 2.225 10 0 BEAERO CCOC1CCC([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000657832786 411609229 /nfs/dbraw/zinc/60/92/29/411609229.db2.gz BKTSAYXWEPEADF-GFJIZPEISA-N 1 0 241.375 2.491 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCSCC1)[C@H]1CCCO1 ZINC000657835034 411609387 /nfs/dbraw/zinc/60/93/87/411609387.db2.gz NVDDAYKNXNCCIP-SDDRHHMPSA-N 1 0 229.389 2.429 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657844268 411610567 /nfs/dbraw/zinc/61/05/67/411610567.db2.gz IDUSLHCGYWAITM-OLZOCXBDSA-N 1 0 242.432 2.346 10 0 BEAERO CC(C)c1nccnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663425276 411657920 /nfs/dbraw/zinc/65/79/20/411657920.db2.gz ONYFZEDUWTVGSW-LLVKDONJSA-N 1 0 246.358 2.249 10 0 BEAERO CCCc1nccnc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000663662274 411717178 /nfs/dbraw/zinc/71/71/78/411717178.db2.gz TZMUKJKPDVFEES-RYUDHWBXSA-N 1 0 248.374 2.324 10 0 BEAERO CCOc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1O ZINC000052271621 170522066 /nfs/dbraw/zinc/52/20/66/170522066.db2.gz GCUHXAWMEOTBRL-GXSJLCMTSA-N 1 0 221.300 2.289 10 0 BEAERO CCOc1ccc(C)cc1[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000074368295 170540383 /nfs/dbraw/zinc/54/03/83/170540383.db2.gz MXHHWIRKSAAIQG-WFASDCNBSA-N 1 0 249.354 2.427 10 0 BEAERO CCOc1ccc(N[C@@H](CC)C[NH3+])cc1 ZINC000026442806 170553962 /nfs/dbraw/zinc/55/39/62/170553962.db2.gz PTGSGPBKNKXRRM-JTQLQIEISA-N 1 0 208.305 2.235 10 0 BEAERO CCOc1ccc([C@@H](Cc2ncc[nH]2)[NH2+]C)cc1 ZINC000035504291 170559495 /nfs/dbraw/zinc/55/94/95/170559495.db2.gz KMDVURBMMGYONU-CYBMUJFWSA-N 1 0 245.326 2.312 10 0 BEAERO CCCc1nccnc1NCC1CC[NH+](C)CC1 ZINC000663521600 411697705 /nfs/dbraw/zinc/69/77/05/411697705.db2.gz VWLIBOBAXHPPKB-UHFFFAOYSA-N 1 0 248.374 2.183 10 0 BEAERO CCOc1cccc([C@@H](O)[C@H]([NH3+])C(C)C)c1 ZINC000071525134 170585037 /nfs/dbraw/zinc/58/50/37/170585037.db2.gz TXEVYCWQFJULRV-CHWSQXEVSA-N 1 0 223.316 2.102 10 0 BEAERO CCSCC[NH2+]CCCn1nc(C)cc1C ZINC000127611216 170636003 /nfs/dbraw/zinc/63/60/03/170636003.db2.gz ZWOZPUFGVIOPMB-UHFFFAOYSA-N 1 0 241.404 2.233 10 0 BEAERO CC[C@@H](C)C[NH2+][C@H]1COc2cc(O)ccc21 ZINC000054467347 170709446 /nfs/dbraw/zinc/70/94/46/170709446.db2.gz XZKFGOKGEWXBHS-SKDRFNHKSA-N 1 0 221.300 2.461 10 0 BEAERO CC[C@@H](C)NC(=O)C[C@@H](C[NH3+])C1CCCCC1 ZINC000076622407 170741257 /nfs/dbraw/zinc/74/12/57/170741257.db2.gz WFBYRDWKRYIAOM-YPMHNXCESA-N 1 0 240.391 2.446 10 0 BEAERO CC[C@@H](C)Oc1cccc(F)c1C(N)=[NH2+] ZINC000036307622 170766975 /nfs/dbraw/zinc/76/69/75/170766975.db2.gz GTQNQCXAIAOVPC-SSDOTTSWSA-N 1 0 210.252 2.287 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000061821054 170777700 /nfs/dbraw/zinc/77/77/00/170777700.db2.gz UAENOEUDCSVTEK-GHMZBOCLSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H](C[NH3+])Oc1ccc(F)c(F)c1 ZINC000043542194 170821712 /nfs/dbraw/zinc/82/17/12/170821712.db2.gz CAMXMLKMPHXNJW-ZETCQYMHSA-N 1 0 201.216 2.081 10 0 BEAERO CC[C@@H](C[NH3+])c1c(OC)cc(OC)cc1OC ZINC000107291455 170822265 /nfs/dbraw/zinc/82/22/65/170822265.db2.gz QOHDJLKUEXNWAZ-VIFPVBQESA-N 1 0 239.315 2.165 10 0 BEAERO CC[C@@H]([NH3+])Cc1nc(Cc2ccc(C)cc2)no1 ZINC000104053126 170865964 /nfs/dbraw/zinc/86/59/64/170865964.db2.gz YLIQRFVEOOBPFH-GFCCVEGCSA-N 1 0 245.326 2.249 10 0 BEAERO CC[C@@H]([NH3+])Cc1nccn1CCc1cccs1 ZINC000104257671 170866273 /nfs/dbraw/zinc/86/62/73/170866273.db2.gz FAQFUPBLKZKYIB-LLVKDONJSA-N 1 0 249.383 2.467 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](OCCOC)c1ccccc1C ZINC000043039058 170866515 /nfs/dbraw/zinc/86/65/15/170866515.db2.gz VHQBFEYRDWYEGO-KGLIPLIRSA-N 1 0 237.343 2.436 10 0 BEAERO CC[C@@H]([NH2+]CCN(C)CC)c1ccc(O)cc1 ZINC000054109805 170895400 /nfs/dbraw/zinc/89/54/00/170895400.db2.gz CZMFTOSWWFRSQP-CQSZACIVSA-N 1 0 236.359 2.385 10 0 BEAERO CC[C@H](c1nnc(CC[NH3+])o1)c1ccccc1 ZINC000050283821 170955414 /nfs/dbraw/zinc/95/54/14/170955414.db2.gz KSKVJGYKKIBWJC-NSHDSACASA-N 1 0 231.299 2.113 10 0 BEAERO CC[C@@H]1CCN(CCc2ccccc2)CC[NH2+]1 ZINC000049661487 171010670 /nfs/dbraw/zinc/01/06/70/171010670.db2.gz LCXPFIPNKONFKL-OAHLLOKOSA-N 1 0 232.371 2.303 10 0 BEAERO CC[C@@H]1CC[C@@H](N)[C@H]([NH+]2CCC(OC)CC2)C1 ZINC000037266211 171039588 /nfs/dbraw/zinc/03/95/88/171039588.db2.gz DWSJLTLOLVOUDR-MRVWCRGKSA-N 1 0 240.391 2.003 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](N(CCOC)C2CC2)C1 ZINC000042518158 171039756 /nfs/dbraw/zinc/03/97/56/171039756.db2.gz GTPLLROYJJQXPO-MRVWCRGKSA-N 1 0 240.391 2.003 10 0 BEAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](N2C[C@H](C)OC[C@@H]2C)C1 ZINC000035784257 171056549 /nfs/dbraw/zinc/05/65/49/171056549.db2.gz DQLWGORFZURVPV-PDWCTOEPSA-N 1 0 240.391 2.002 10 0 BEAERO CC[C@@H]1C[N@H+](CC(C)C)[C@H](C(C)C)CN1 ZINC000071343691 171077126 /nfs/dbraw/zinc/07/71/26/171077126.db2.gz BLOZHQGFGWVYMZ-OLZOCXBDSA-N 1 0 212.381 2.351 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccncc1 ZINC000094448468 171098833 /nfs/dbraw/zinc/09/88/33/171098833.db2.gz AUAUCKROQXDMJO-HUUCEWRRSA-N 1 0 245.370 2.140 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccncc1 ZINC000246376868 171099026 /nfs/dbraw/zinc/09/90/26/171099026.db2.gz AUAUCKROQXDMJO-CABCVRRESA-N 1 0 245.370 2.140 10 0 BEAERO CC[C@@H]1CN(c2nccs2)[C@H](CC)C[NH2+]1 ZINC000083117991 171100180 /nfs/dbraw/zinc/10/01/80/171100180.db2.gz OODXPPUVELMIJA-NXEZZACHSA-N 1 0 225.361 2.110 10 0 BEAERO CC[C@@H]1CN[C@@H](C)C[N@@H+]1C1Cc2ccccc2C1 ZINC000083373152 171101026 /nfs/dbraw/zinc/10/10/26/171101026.db2.gz WUGKAJVUTJKDBG-SWLSCSKDSA-N 1 0 244.382 2.226 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccc1 ZINC000082934971 171101114 /nfs/dbraw/zinc/10/11/14/171101114.db2.gz JSQDNMCJRQPWFG-GXTWGEPZSA-N 1 0 218.344 2.259 10 0 BEAERO CC[C@@H]1C[NH2+]C[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000095932490 171101631 /nfs/dbraw/zinc/10/16/31/171101631.db2.gz ZJTOGEPNPFSQHV-WDEREUQCSA-N 1 0 227.348 2.354 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccncc1 ZINC000068695380 171101750 /nfs/dbraw/zinc/10/17/50/171101750.db2.gz YAHKGMDYCBDTPZ-CABCVRRESA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@@H]1C[NH2+]C[C@H](CC(=O)OC(C)(C)C)C1 ZINC000256015767 171102052 /nfs/dbraw/zinc/10/20/52/171102052.db2.gz ZJTOGEPNPFSQHV-QWRGUYRKSA-N 1 0 227.348 2.354 10 0 BEAERO CC[C@@H]1CN[C@H](C)C[N@@H+]1C1Cc2ccccc2C1 ZINC000083373150 171102169 /nfs/dbraw/zinc/10/21/69/171102169.db2.gz WUGKAJVUTJKDBG-IUODEOHRSA-N 1 0 244.382 2.226 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccccc2C)C[NH2+]1 ZINC000036672826 171109764 /nfs/dbraw/zinc/10/97/64/171109764.db2.gz HMVXIIJPVOHBJL-DGCLKSJQSA-N 1 0 205.301 2.435 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccc(F)cc2)C[NH2+]1 ZINC000036986243 171110471 /nfs/dbraw/zinc/11/04/71/171110471.db2.gz KLWHMGCCOGAGLM-VXGBXAGGSA-N 1 0 209.264 2.265 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccc(C)s2)C[NH2+]1 ZINC000036672932 171113382 /nfs/dbraw/zinc/11/33/82/171113382.db2.gz QUTDVMSSCDOOCP-ZJUUUORDSA-N 1 0 211.330 2.496 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccc(OC)c(F)c2)C[NH2+]1 ZINC000036672952 171114017 /nfs/dbraw/zinc/11/40/17/171114017.db2.gz FYBOWSXTZFWKQQ-MFKMUULPSA-N 1 0 239.290 2.274 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccc(OC)cc2)C[NH2+]1 ZINC000036672864 171114100 /nfs/dbraw/zinc/11/41/00/171114100.db2.gz SITSGZLMIKJUHX-YPMHNXCESA-N 1 0 221.300 2.135 10 0 BEAERO CC[C@@](C)(C[NH3+])Oc1cc(F)cc(F)c1 ZINC000054934422 171166783 /nfs/dbraw/zinc/16/67/83/171166783.db2.gz LJFJJWHUMYTTIN-NSHDSACASA-N 1 0 215.243 2.471 10 0 BEAERO CC[C@@](C)([NH3+])c1ccc2c(c1)OCCO2 ZINC000055196870 171170725 /nfs/dbraw/zinc/17/07/25/171170725.db2.gz KKGWNSVAYDIWBM-GFCCVEGCSA-N 1 0 207.273 2.042 10 0 BEAERO CC[C@@](C)([NH3+])c1ccc2c(c1)OCCCO2 ZINC000055196999 171170857 /nfs/dbraw/zinc/17/08/57/171170857.db2.gz UGVZOPNPKLWTKI-CYBMUJFWSA-N 1 0 221.300 2.432 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccoc1C ZINC000119409954 171177632 /nfs/dbraw/zinc/17/76/32/171177632.db2.gz MBJCDPFBTMFXEE-GFCCVEGCSA-N 1 0 211.305 2.181 10 0 BEAERO CC[C@@]([NH3+])(c1noc(C(F)(F)F)n1)C(C)C ZINC000037755142 171192694 /nfs/dbraw/zinc/19/26/94/171192694.db2.gz MKDJPUCEXXQWPI-QMMMGPOBSA-N 1 0 237.225 2.308 10 0 BEAERO CC[C@@]1(C(=O)NCC2CCCCC2)CC[NH2+]C1 ZINC000062890429 171196183 /nfs/dbraw/zinc/19/61/83/171196183.db2.gz OWPXSOXMXTYMKF-CQSZACIVSA-N 1 0 238.375 2.073 10 0 BEAERO CC[C@@]1(C)CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000129443417 171196977 /nfs/dbraw/zinc/19/69/77/171196977.db2.gz WFBLRHDJPRBAOJ-OCCSQVGLSA-N 1 0 238.375 2.025 10 0 BEAERO CC[C@@]1(c2ccc(OC)cc2)CC[NH2+]C1 ZINC000051955173 171217196 /nfs/dbraw/zinc/21/71/96/171217196.db2.gz QIXIPSNHXFMGGU-CYBMUJFWSA-N 1 0 205.301 2.336 10 0 BEAERO CC[C@H](C)C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915678 171248304 /nfs/dbraw/zinc/24/83/04/171248304.db2.gz GVVBGILNECANMM-YNEHKIRRSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H](C)CN(C)C(=O)C1(CC)CC[NH2+]CC1 ZINC000062848078 171268885 /nfs/dbraw/zinc/26/88/85/171268885.db2.gz AVKXSCNVRAZIJL-LBPRGKRZSA-N 1 0 240.391 2.271 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1COc2cc(O)ccc21 ZINC000054467349 171288403 /nfs/dbraw/zinc/28/84/03/171288403.db2.gz XZKFGOKGEWXBHS-CABZTGNLSA-N 1 0 221.300 2.461 10 0 BEAERO CC[C@H](C)C[C@](CC)(C[NH3+])N1CCOC[C@@H]1C ZINC000035775029 171299536 /nfs/dbraw/zinc/29/95/36/171299536.db2.gz QWGTXWBBERZKNM-MELADBBJSA-N 1 0 242.407 2.251 10 0 BEAERO CC[C@H](C)N(C)c1nc2ccccn2c1C[NH3+] ZINC000035449337 171309331 /nfs/dbraw/zinc/30/93/31/171309331.db2.gz AGGLILNOZMOLAY-JTQLQIEISA-N 1 0 232.331 2.028 10 0 BEAERO CC[C@H](C)N(C)c1nc(C)c(C[NH3+])s1 ZINC000054996721 171309669 /nfs/dbraw/zinc/30/96/69/171309669.db2.gz DPBARXYXPUBWJZ-ZETCQYMHSA-N 1 0 213.350 2.145 10 0 BEAERO CC[C@H](C)N(CC)C(=O)C1([NH3+])CCCCC1 ZINC000037113230 171311633 /nfs/dbraw/zinc/31/16/33/171311633.db2.gz OHMMAVALEWAHNH-NSHDSACASA-N 1 0 226.364 2.295 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000055126158 171311693 /nfs/dbraw/zinc/31/16/93/171311693.db2.gz MYJMPTQDWPSOAT-XQHKEYJVSA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)N(Cc1ccc(C)cc1)C(=O)CC[NH3+] ZINC000032103974 171315292 /nfs/dbraw/zinc/31/52/92/171315292.db2.gz MNKHMOODQTXTQA-ZDUSSCGKSA-N 1 0 248.370 2.471 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000181122988 171317536 /nfs/dbraw/zinc/31/75/36/171317536.db2.gz NLQAKCIFEWJBLK-CMPLNLGQSA-N 1 0 207.321 2.356 10 0 BEAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1ccccc1 ZINC000057524311 171327062 /nfs/dbraw/zinc/32/70/62/171327062.db2.gz WEDLHQUFMDTBQL-WCQYABFASA-N 1 0 234.343 2.034 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106423747 171333806 /nfs/dbraw/zinc/33/38/06/171333806.db2.gz BCUFSALWAZWLHP-GXTWGEPZSA-N 1 0 248.370 2.074 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1ccccc1C ZINC000076634122 171335607 /nfs/dbraw/zinc/33/56/07/171335607.db2.gz LREVPXATHWEIJI-GXTWGEPZSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1cccc(C)c1 ZINC000076634130 171335780 /nfs/dbraw/zinc/33/57/80/171335780.db2.gz FAVMNYFGFPXDBT-GXTWGEPZSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000042495054 171339082 /nfs/dbraw/zinc/33/90/82/171339082.db2.gz LHPIVWIKLWQXEO-AVGNSLFASA-N 1 0 240.391 2.412 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000042495050 171339394 /nfs/dbraw/zinc/33/93/94/171339394.db2.gz LHPIVWIKLWQXEO-RWMBFGLXSA-N 1 0 240.391 2.412 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000037617556 171339605 /nfs/dbraw/zinc/33/96/05/171339605.db2.gz AKRNNYQGDXQQQG-RWMBFGLXSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@H](C)[NH2+]CCC(=O)c1cccc(N)c1 ZINC000098124633 171340090 /nfs/dbraw/zinc/34/00/90/171340090.db2.gz SGSABLVNJYLWHI-JTQLQIEISA-N 1 0 220.316 2.230 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(N(C)C)cc1 ZINC000033465870 171341228 /nfs/dbraw/zinc/34/12/28/171341228.db2.gz MCJORAMHBRWYGZ-SMDDNHRTSA-N 1 0 236.359 2.174 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F ZINC000336665344 171345865 /nfs/dbraw/zinc/34/58/65/171345865.db2.gz VAMNZKUAPODLFM-BIIVOSGPSA-N 1 0 213.243 2.076 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037166982 171346317 /nfs/dbraw/zinc/34/63/17/171346317.db2.gz SKBSNWBPKVXLIG-RYUDHWBXSA-N 1 0 200.370 2.351 10 0 BEAERO CC[C@H](C)OCCOc1ccc(CC[NH3+])cc1 ZINC000048264064 171355693 /nfs/dbraw/zinc/35/56/93/171355693.db2.gz LMFGOPKMCAAHBO-LBPRGKRZSA-N 1 0 237.343 2.382 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000042555600 171365200 /nfs/dbraw/zinc/36/52/00/171365200.db2.gz OISCTPXAGVSCBC-TUAOUCFPSA-N 1 0 231.380 2.187 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000042556259 171365623 /nfs/dbraw/zinc/36/56/23/171365623.db2.gz CNTXISQBYWKLAN-WDEREUQCSA-N 1 0 234.343 2.310 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336735721 171367628 /nfs/dbraw/zinc/36/76/28/171367628.db2.gz LXVDDKXKSDFOGC-AXFHLTTASA-N 1 0 226.364 2.068 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1noc(C(F)(F)F)n1 ZINC000041050420 171372861 /nfs/dbraw/zinc/37/28/61/171372861.db2.gz ZUYQUEAIWDLFDM-CRCLSJGQSA-N 1 0 223.198 2.134 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892123 171396326 /nfs/dbraw/zinc/39/63/26/171396326.db2.gz YWOSVEHZOGYMNB-CPCISQLKSA-N 1 0 220.272 2.167 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1noc(C(C)(C)C)n1 ZINC000041050414 171397947 /nfs/dbraw/zinc/39/79/47/171397947.db2.gz HPGVFPOMQKQMIV-YUMQZZPRSA-N 1 0 211.309 2.413 10 0 BEAERO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+]C ZINC000019864753 171411961 /nfs/dbraw/zinc/41/19/61/171411961.db2.gz JWBGIPWHGGJDJJ-NWDGAFQWSA-N 1 0 237.343 2.159 10 0 BEAERO CC[C@H](C[NH3+])Oc1cc(F)cc(F)c1 ZINC000054932533 171431021 /nfs/dbraw/zinc/43/10/21/171431021.db2.gz GLHHOWDSYAENMQ-SECBINFHSA-N 1 0 201.216 2.081 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)[C@H](CC)[NH2+]C)cc1 ZINC000662344964 412112910 /nfs/dbraw/zinc/11/29/10/412112910.db2.gz UFCJJTVXARSOCG-RISCZKNCSA-N 1 0 248.370 2.424 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)[C@H](CC)[NH2+]C)cc1 ZINC000662344962 412114280 /nfs/dbraw/zinc/11/42/80/412114280.db2.gz UFCJJTVXARSOCG-FZMZJTMJSA-N 1 0 248.370 2.424 10 0 BEAERO C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CCCC[C@H]1O ZINC000662346719 412117156 /nfs/dbraw/zinc/11/71/56/412117156.db2.gz DEWWDQMYQNWQBJ-QJPTWQEYSA-N 1 0 211.349 2.268 10 0 BEAERO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000376060185 171470464 /nfs/dbraw/zinc/47/04/64/171470464.db2.gz UYCBAQDEJUVEBF-FPCVCCKLSA-N 1 0 245.366 2.490 10 0 BEAERO CC[C@H]([NH3+])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000036778791 171485341 /nfs/dbraw/zinc/48/53/41/171485341.db2.gz IOTKVERTMCJADN-VIFPVBQESA-N 1 0 241.718 2.391 10 0 BEAERO CC[C@H]([NH3+])Cc1cc(C)nc(C(C)(C)C)n1 ZINC000054835558 171485641 /nfs/dbraw/zinc/48/56/41/171485641.db2.gz LOIWOAFAKIYQCY-JTQLQIEISA-N 1 0 221.348 2.362 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)c(C)c1 ZINC000662480090 412189689 /nfs/dbraw/zinc/18/96/89/412189689.db2.gz TVJQJCCHFUXPMS-AVGNSLFASA-N 1 0 246.354 2.218 10 0 BEAERO CC[C@H]([NH3+])[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000042965357 171489501 /nfs/dbraw/zinc/48/95/01/171489501.db2.gz MEVMUZYNHLFRBC-GJZGRUSLSA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@H]([NH3+])[C@H](c1ccc(OC)cc1)n1cccn1 ZINC000042962203 171489632 /nfs/dbraw/zinc/48/96/32/171489632.db2.gz NPVNQUGMPLRXBH-KBPBESRZSA-N 1 0 245.326 2.218 10 0 BEAERO CC[C@H]([NH3+])[C@H](c1ccccc1OC)n1cccn1 ZINC000043098640 171489745 /nfs/dbraw/zinc/48/97/45/171489745.db2.gz LKHWEJPGIPEELY-JSGCOSHPSA-N 1 0 245.326 2.218 10 0 BEAERO CC[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359448 171490673 /nfs/dbraw/zinc/49/06/73/171490673.db2.gz JKDXJNKFSULTJC-VIFPVBQESA-N 1 0 224.691 2.244 10 0 BEAERO COc1cccc([C@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091425308 322929964 /nfs/dbraw/zinc/92/99/64/322929964.db2.gz SVPRWMHUVHDNFY-ZBOXLXRLSA-N 1 0 235.327 2.117 10 0 BEAERO CC[C@H]([NH2+]CC(C)(C)OCCO)C(C)(C)C ZINC000336731810 171517442 /nfs/dbraw/zinc/51/74/42/171517442.db2.gz JBFABTUNBDVSOY-NSHDSACASA-N 1 0 231.380 2.188 10 0 BEAERO CC[C@H]([NH2+]Cc1cnc(C)nc1)C(C)C ZINC000308904964 171532071 /nfs/dbraw/zinc/53/20/71/171532071.db2.gz CGBNRHSOIYEKHJ-LBPRGKRZSA-N 1 0 207.321 2.309 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCCCC1CCC1 ZINC000662665273 412263672 /nfs/dbraw/zinc/26/36/72/412263672.db2.gz HKDXXCLLFZXEGJ-GFCCVEGCSA-N 1 0 226.364 2.056 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC3(CCC3)C2)C1 ZINC000309789220 487622570 /nfs/dbraw/zinc/62/25/70/487622570.db2.gz UBHVFRBSQDUADF-CHWSQXEVSA-N 1 0 223.360 2.414 10 0 BEAERO CC[C@H]1CCCN1c1ccnc(C[NH2+]C)c1 ZINC000051398669 171622569 /nfs/dbraw/zinc/62/25/69/171622569.db2.gz OKDAKIHCIPQLOQ-LBPRGKRZSA-N 1 0 219.332 2.180 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000662733702 412287948 /nfs/dbraw/zinc/28/79/48/412287948.db2.gz JWPAHFGCTYYYSQ-PSEXLTFBSA-N 1 0 238.375 2.149 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000662627233 412247450 /nfs/dbraw/zinc/24/74/50/412247450.db2.gz CQBREQHWQQDIEC-MROQNXINSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@H]1CCc2nc(CC[NH2+]C)sc2C1 ZINC000053296457 171649066 /nfs/dbraw/zinc/64/90/66/171649066.db2.gz UIUDGPQDGRNMOI-VIFPVBQESA-N 1 0 224.373 2.420 10 0 BEAERO CC[C@H]1C[NH2+][C@@H](C)CN1Cc1ccccc1F ZINC000083363981 171668261 /nfs/dbraw/zinc/66/82/61/171668261.db2.gz ZIHXAADVTDLSJB-AAEUAGOBSA-N 1 0 236.334 2.398 10 0 BEAERO CC[C@H]1CO[C@](C)(c2ccccc2)C[NH2+]1 ZINC000052099050 171674147 /nfs/dbraw/zinc/67/41/47/171674147.db2.gz DJFYDRBPKADWRW-STQMWFEESA-N 1 0 205.301 2.300 10 0 BEAERO CC(C)CC1(NC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000662926725 412346685 /nfs/dbraw/zinc/34/66/85/412346685.db2.gz VUEPITHWEIKUPM-NSHDSACASA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336732621 171704394 /nfs/dbraw/zinc/70/43/94/171704394.db2.gz LNVXGINSPONGPR-UTUOFQBUSA-N 1 0 217.328 2.265 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](Nc2cc[nH]n2)CC1 ZINC000616626848 412296856 /nfs/dbraw/zinc/29/68/56/412296856.db2.gz CIVDLUQXKOFFPO-NSHDSACASA-N 1 0 222.336 2.085 10 0 BEAERO CCc1c(C)nn([C@H]2CCC[C@@H]2[NH2+]C)c1C ZINC000044033456 171741402 /nfs/dbraw/zinc/74/14/02/171741402.db2.gz LZXLTRWEXXKGLW-STQMWFEESA-N 1 0 221.348 2.375 10 0 BEAERO CCc1cc(OC)c(CCC[NH3+])cc1OC ZINC000096888979 171772063 /nfs/dbraw/zinc/77/20/63/171772063.db2.gz MKWYLECUPRSWMN-UHFFFAOYSA-N 1 0 223.316 2.158 10 0 BEAERO CCc1ccc(CC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000041257686 171789849 /nfs/dbraw/zinc/78/98/49/171789849.db2.gz IXYAIVZNFBJNKM-AWEZNQCLSA-N 1 0 231.339 2.360 10 0 BEAERO CCCc1nccnc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000663270794 412403396 /nfs/dbraw/zinc/40/33/96/412403396.db2.gz QDVIOCSYKYDZNG-RYUDHWBXSA-N 1 0 248.374 2.229 10 0 BEAERO CCCc1nccnc1NCCC1CC[NH2+]CC1 ZINC000663271917 412404492 /nfs/dbraw/zinc/40/44/92/412404492.db2.gz AYALBQZGTARTFJ-UHFFFAOYSA-N 1 0 248.374 2.231 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1ccc(F)cn1 ZINC000663276099 412405326 /nfs/dbraw/zinc/40/53/26/412405326.db2.gz KOUHYQNUWJLFOU-SNVBAGLBSA-N 1 0 211.284 2.006 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1ncccc1C(F)(F)F ZINC000663280055 412408328 /nfs/dbraw/zinc/40/83/28/412408328.db2.gz XEMMERBZXDNWNQ-SSDOTTSWSA-N 1 0 233.237 2.120 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282508341 171811532 /nfs/dbraw/zinc/81/15/32/171811532.db2.gz XGFYARUJUFSVNQ-RISCZKNCSA-N 1 0 246.354 2.006 10 0 BEAERO CCC1(CNC(=O)C[C@H]([NH3+])C(C)C)CCC1 ZINC000225811016 487623394 /nfs/dbraw/zinc/62/33/94/487623394.db2.gz RLPTVLVLCCCXBS-NSHDSACASA-N 1 0 226.364 2.056 10 0 BEAERO CCc1csc(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC000061895189 171931949 /nfs/dbraw/zinc/93/19/49/171931949.db2.gz UYAFLWPKZCDKLQ-UWVGGRQHSA-N 1 0 239.388 2.269 10 0 BEAERO CCc1nc([C@H]([NH2+]C)[C@@H]2CCOC2)sc1C ZINC000041060663 172007659 /nfs/dbraw/zinc/00/76/59/172007659.db2.gz UTAQTWBNQJUQTL-MWLCHTKSSA-N 1 0 240.372 2.311 10 0 BEAERO CCc1[nH+]c2cc(N)ccc2n1CCCOC ZINC000052852426 172011050 /nfs/dbraw/zinc/01/10/50/172011050.db2.gz KTJGTFZWYHHRCX-UHFFFAOYSA-N 1 0 233.315 2.217 10 0 BEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)CC ZINC000122879949 172014380 /nfs/dbraw/zinc/01/43/80/172014380.db2.gz NNYSYVRAYYCBMC-UWVGGRQHSA-N 1 0 222.336 2.064 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1ccc(C)cc1 ZINC000042906818 172029718 /nfs/dbraw/zinc/02/97/18/172029718.db2.gz WVGBPOIEURIYDL-CYBMUJFWSA-N 1 0 229.327 2.302 10 0 BEAERO CCc1nccn1[C@@H]([C@@H](C)[NH3+])C(C)(C)C ZINC000043295089 172029897 /nfs/dbraw/zinc/02/98/97/172029897.db2.gz SDODAGVXDPROHW-KOLCDFICSA-N 1 0 209.337 2.380 10 0 BEAERO CCc1nccn1[C@@H]1CCCCC[C@H]1[NH3+] ZINC000042419731 172029997 /nfs/dbraw/zinc/02/99/97/172029997.db2.gz WCRCZJINVLDLRI-GHMZBOCLSA-N 1 0 207.321 2.278 10 0 BEAERO CCc1sc(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000082374016 172129143 /nfs/dbraw/zinc/12/91/43/172129143.db2.gz PGGYRADPLYYSOM-SECBINFHSA-N 1 0 210.346 2.481 10 0 BEAERO CCn1c2ccccc2nc1C(C)(C)[NH3+] ZINC000040911228 172134257 /nfs/dbraw/zinc/13/42/57/172134257.db2.gz MGYUQGVXVBFQSB-UHFFFAOYSA-N 1 0 203.289 2.250 10 0 BEAERO CCn1c2cc(F)ccc2nc1C(C)(C)[NH3+] ZINC000052124611 172134900 /nfs/dbraw/zinc/13/49/00/172134900.db2.gz AJWVVMIWTGPBQG-UHFFFAOYSA-N 1 0 221.279 2.389 10 0 BEAERO CCn1c(C2=[NH+]CCN2)cc2ccccc21 ZINC000034485053 172142743 /nfs/dbraw/zinc/14/27/43/172142743.db2.gz PROCHFVBDUFTAF-UHFFFAOYSA-N 1 0 213.284 2.011 10 0 BEAERO CCn1c(C[NH2+]CC(C)C)nc2cccnc21 ZINC000104314819 172144901 /nfs/dbraw/zinc/14/49/01/172144901.db2.gz HVUCTRVUPVNWTO-UHFFFAOYSA-N 1 0 232.331 2.197 10 0 BEAERO CCn1cc(-c2csc([C@H](C)C[NH3+])n2)cn1 ZINC000054158424 172148681 /nfs/dbraw/zinc/14/86/81/172148681.db2.gz FEJZOUKGOOIJHM-MRVPVSSYSA-N 1 0 236.344 2.089 10 0 BEAERO CCn1cc(C[C@]2([NH3+])CCCC[C@H]2C)cn1 ZINC000050541618 172177284 /nfs/dbraw/zinc/17/72/84/172177284.db2.gz WFLLXEAOSKCKTL-DGCLKSJQSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@]2([NH3+])CCC[C@H](C)C2)cn1 ZINC000050541566 172177419 /nfs/dbraw/zinc/17/74/19/172177419.db2.gz AYCRXEGJJSDASE-AAEUAGOBSA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc(C[C@H]2CCCC[C@@H]2[NH2+]C)cn1 ZINC000050540749 172177450 /nfs/dbraw/zinc/17/74/50/172177450.db2.gz BEFRZMWITCQICP-OLZOCXBDSA-N 1 0 221.348 2.224 10 0 BEAERO CCn1cc(N[C@@H](C)[C@H]2CCC[N@H+](C)C2)cn1 ZINC000035779808 172186405 /nfs/dbraw/zinc/18/64/05/172186405.db2.gz BUCOPUWUESZOBB-RYUDHWBXSA-N 1 0 236.363 2.045 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2ccsc2)cn1 ZINC000043469163 172194652 /nfs/dbraw/zinc/19/46/52/172194652.db2.gz VFYZUSQMILPMFF-JTQLQIEISA-N 1 0 207.302 2.013 10 0 BEAERO CCn1cc([C@]2([NH3+])CCCC[C@@H]2C)cn1 ZINC000043467728 172199669 /nfs/dbraw/zinc/19/96/69/172199669.db2.gz MYOGIJIUJCDCKP-JQWIXIFHSA-N 1 0 207.321 2.267 10 0 BEAERO CCn1cccc1C[NH2+]C[C@H]1CCCCO1 ZINC000085609263 172207119 /nfs/dbraw/zinc/20/71/19/172207119.db2.gz FGAYPSWLSFLPJZ-CYBMUJFWSA-N 1 0 222.332 2.167 10 0 BEAERO CCn1cccc1C[NH2+]C[C@H](C)SC ZINC000169105738 172207238 /nfs/dbraw/zinc/20/72/38/172207238.db2.gz OUXRIGJPARJONR-JTQLQIEISA-N 1 0 212.362 2.349 10 0 BEAERO CCn1cccc1C[NH2+]Cc1cccnc1OC ZINC000091025364 172207848 /nfs/dbraw/zinc/20/78/48/172207848.db2.gz XAHZTBTUDOHFEK-UHFFFAOYSA-N 1 0 245.326 2.201 10 0 BEAERO CCn1cccc1C[NH2+]CC1(N(C)C)CCC1 ZINC000097927753 172207964 /nfs/dbraw/zinc/20/79/64/172207964.db2.gz WHISICDNNGUAKZ-UHFFFAOYSA-N 1 0 235.375 2.082 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000135673406 172208695 /nfs/dbraw/zinc/20/86/95/172208695.db2.gz WEUJHSXDVYUYTC-ZIAGYGMSSA-N 1 0 236.359 2.291 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000229638311 172209692 /nfs/dbraw/zinc/20/96/92/172209692.db2.gz HEYNQZGNXMLPLL-JTQLQIEISA-N 1 0 218.304 2.082 10 0 BEAERO CCn1ccnc1Oc1ccc(C[NH3+])cc1 ZINC000050614535 172228267 /nfs/dbraw/zinc/22/82/67/172228267.db2.gz RDRYTRNGBSDIFG-UHFFFAOYSA-N 1 0 217.272 2.154 10 0 BEAERO CCn1nc(C)c([C@H](C)[NH2+]CCF)c1C ZINC000336720710 172248261 /nfs/dbraw/zinc/24/82/61/172248261.db2.gz ZVXKHMWYIGIBBL-QMMMGPOBSA-N 1 0 213.300 2.140 10 0 BEAERO CCn1ncc(C[NH2+]Cc2cccc(O)c2)c1C ZINC000020352535 172255078 /nfs/dbraw/zinc/25/50/78/172255078.db2.gz SDWCGGNLVXYFHF-UHFFFAOYSA-N 1 0 245.326 2.207 10 0 BEAERO CCn1ncc2c1CCC[C@@H]2[NH2+]C(C)C ZINC000309036131 172257275 /nfs/dbraw/zinc/25/72/75/172257275.db2.gz IFDZQBABHIYDTQ-NSHDSACASA-N 1 0 207.321 2.278 10 0 BEAERO CN(C(=O)CC[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000050941472 172305250 /nfs/dbraw/zinc/30/52/50/172305250.db2.gz WSKOMFUAQBVFSS-LBPRGKRZSA-N 1 0 238.375 2.310 10 0 BEAERO CN(C(=O)CN1CCC[C@@H]1c1ccco1)C1CC1 ZINC000116294792 172307816 /nfs/dbraw/zinc/30/78/16/172307816.db2.gz QOOQXBJDPOVJLC-GFCCVEGCSA-N 1 0 248.326 2.037 10 0 BEAERO CN(C(=O)C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000020597482 172314188 /nfs/dbraw/zinc/31/41/88/172314188.db2.gz HVXSMNVKEBNZRS-GFCCVEGCSA-N 1 0 232.327 2.182 10 0 BEAERO CN(C(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000021959712 172339035 /nfs/dbraw/zinc/33/90/35/172339035.db2.gz ZEEWHEDGKOHTSE-UHFFFAOYSA-N 1 0 240.306 2.422 10 0 BEAERO C[NH+](C)[C@@H]1Cc2c[nH]c3cccc(c23)C1 ZINC000003647624 172541562 /nfs/dbraw/zinc/54/15/62/172541562.db2.gz BQOANWOQEHVATQ-NSHDSACASA-N 1 0 200.285 2.197 10 0 in-vitro BEAERO CN(C)c1ccc2c(C[NH3+])csc2c1 ZINC000075884256 172562716 /nfs/dbraw/zinc/56/27/16/172562716.db2.gz PEFWUIINERNLGU-UHFFFAOYSA-N 1 0 206.314 2.426 10 0 BEAERO CN(C)c1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000037927521 172567145 /nfs/dbraw/zinc/56/71/45/172567145.db2.gz XNPVEFFESSGERH-CQSZACIVSA-N 1 0 234.343 2.021 10 0 BEAERO CN(C)c1cccc(OCCCCC(N)=[NH2+])c1 ZINC000049580015 172568096 /nfs/dbraw/zinc/56/80/96/172568096.db2.gz GBJCWASNHXTMBH-UHFFFAOYSA-N 1 0 235.331 2.238 10 0 BEAERO CN(CC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055090511 172622052 /nfs/dbraw/zinc/62/20/52/172622052.db2.gz OATFSOGOQZCAGJ-GHMZBOCLSA-N 1 0 226.364 2.008 10 0 BEAERO CN(CC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000042171746 172777336 /nfs/dbraw/zinc/77/73/36/172777336.db2.gz JUUYKEPJURUIFI-GFCCVEGCSA-N 1 0 204.317 2.265 10 0 BEAERO CN(C[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000050004404 172808499 /nfs/dbraw/zinc/80/84/99/172808499.db2.gz QJCHMUDGZLEFIN-LBPRGKRZSA-N 1 0 222.307 2.404 10 0 BEAERO CN(C[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000053875004 172814634 /nfs/dbraw/zinc/81/46/34/172814634.db2.gz DYPQNLBWLCSRGU-JQWIXIFHSA-N 1 0 222.307 2.389 10 0 BEAERO CN(Cc1cccs1)c1cc(C[NH3+])ccn1 ZINC000035719719 172895507 /nfs/dbraw/zinc/89/55/07/172895507.db2.gz ZEJOBMYSXKZYFQ-UHFFFAOYSA-N 1 0 233.340 2.238 10 0 BEAERO CN(c1cc(N)cc[nH+]1)C1CCCCC1 ZINC000043567892 172945263 /nfs/dbraw/zinc/94/52/63/172945263.db2.gz SVHWJPKJSRVFMS-UHFFFAOYSA-N 1 0 205.305 2.433 10 0 BEAERO C[NH+]1CCC(C)(c2cccc(O)c2)CC1 ZINC000033645848 172981341 /nfs/dbraw/zinc/98/13/41/172981341.db2.gz OFPJOMSIYKMXBO-UHFFFAOYSA-N 1 0 205.301 2.376 10 0 BEAERO C[NH+]1CCC(Sc2cccc(N)c2)CC1 ZINC000045809261 173000468 /nfs/dbraw/zinc/00/04/68/173000468.db2.gz PITRJBBZBKDHKQ-UHFFFAOYSA-N 1 0 222.357 2.455 10 0 BEAERO C[NH+]1CCC(c2ccsc2)(C(C)(C)O)CC1 ZINC000000016955 173001297 /nfs/dbraw/zinc/00/12/97/173001297.db2.gz JHGNPHJSICLBBK-UHFFFAOYSA-N 1 0 239.384 2.482 10 0 BEAERO C[NH+]1CCC(c2noc3ccc(N)cc32)CC1 ZINC000090504937 173001328 /nfs/dbraw/zinc/00/13/28/173001328.db2.gz PSAXQIGFMPMQOJ-UHFFFAOYSA-N 1 0 231.299 2.219 10 0 BEAERO C[N@@H+]1CCCC[C@H]1CNc1cccc(O)c1 ZINC000054240412 173009236 /nfs/dbraw/zinc/00/92/36/173009236.db2.gz XLHHANCWYXLHKT-LBPRGKRZSA-N 1 0 220.316 2.288 10 0 BEAERO CN1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000040672718 173020025 /nfs/dbraw/zinc/02/00/25/173020025.db2.gz SMOKSFPNVPYPEQ-SECBINFHSA-N 1 0 228.723 2.117 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)cc2Cl)C1 ZINC000040715831 173020578 /nfs/dbraw/zinc/02/05/78/173020578.db2.gz NVTLGWWRYYGBDK-SNVBAGLBSA-N 1 0 239.750 2.428 10 0 BEAERO CN1CCC[C@@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000143130938 173036142 /nfs/dbraw/zinc/03/61/42/173036142.db2.gz QVWXOBCBRGTWEA-LBPRGKRZSA-N 1 0 224.735 2.220 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2ccc3c(c2)OCO3)C1 ZINC000054240029 173040745 /nfs/dbraw/zinc/04/07/45/173040745.db2.gz GBYKZYZDYUTTOL-LLVKDONJSA-N 1 0 248.326 2.169 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2ccc(N)cc2Cl)C1 ZINC000040715830 173046744 /nfs/dbraw/zinc/04/67/44/173046744.db2.gz NVTLGWWRYYGBDK-JTQLQIEISA-N 1 0 239.750 2.428 10 0 BEAERO C[N@@H+]1CCC[C@H]1COc1ccc(Cl)nc1 ZINC000026509298 173057215 /nfs/dbraw/zinc/05/72/15/173057215.db2.gz BFSJLIOTBDRFBB-VIFPVBQESA-N 1 0 226.707 2.208 10 0 BEAERO C[N@@H+]1CCCc2[nH]c(Br)cc2C1 ZINC000082349583 173062366 /nfs/dbraw/zinc/06/23/66/173062366.db2.gz MRSQPKVNOQFLPZ-UHFFFAOYSA-N 1 0 229.121 2.155 10 0 BEAERO C[N@@H+]1CC[C@@H](CNCc2ccc(F)cc2F)C1 ZINC000037645825 173114443 /nfs/dbraw/zinc/11/44/43/173114443.db2.gz BBSBZHJGYJOQTC-JTQLQIEISA-N 1 0 240.297 2.006 10 0 BEAERO CN1CC[C@@H]([NH3+])Cc2cc(Cl)ccc21 ZINC000082952744 173119737 /nfs/dbraw/zinc/11/97/37/173119737.db2.gz GZWGVSUUOATWFT-SNVBAGLBSA-N 1 0 210.708 2.050 10 0 BEAERO CN1CC[C@@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000042545541 173123709 /nfs/dbraw/zinc/12/37/09/173123709.db2.gz WMBGAEJLUGRVLQ-OTTFEQOBSA-N 1 0 248.345 2.365 10 0 BEAERO CN1CC[C@H]([NH3+])Cc2cccc(Cl)c21 ZINC000082952745 173149030 /nfs/dbraw/zinc/14/90/30/173149030.db2.gz AHOXBEKIBNURCW-VIFPVBQESA-N 1 0 210.708 2.050 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2cc(F)cc(F)c2)C1 ZINC000061984675 173155504 /nfs/dbraw/zinc/15/55/04/173155504.db2.gz NYQNIQRPGHYALV-JTQLQIEISA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1C[C@@H](c2ccccc2)NCC1(C)C ZINC000082380071 173188869 /nfs/dbraw/zinc/18/88/69/173188869.db2.gz RHRQKIITHXHTPS-LBPRGKRZSA-N 1 0 204.317 2.041 10 0 BEAERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNc1ccccn1)C2 ZINC000038019316 173206795 /nfs/dbraw/zinc/20/67/95/173206795.db2.gz VRWCCCRFUTXKQS-YHWZYXNKSA-N 1 0 231.343 2.366 10 0 BEAERO CNC(=O)CC[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000076634650 173262980 /nfs/dbraw/zinc/26/29/80/173262980.db2.gz FYQMPYXAYWZKLY-CQSZACIVSA-N 1 0 248.370 2.379 10 0 BEAERO CNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037254057 173278191 /nfs/dbraw/zinc/27/81/91/173278191.db2.gz NNPAQTJWSOWQHV-ZIAGYGMSSA-N 1 0 246.354 2.048 10 0 BEAERO CNC(=O)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000037207569 173278308 /nfs/dbraw/zinc/27/83/08/173278308.db2.gz LXBGCXJKGFPRHO-GFCCVEGCSA-N 1 0 248.370 2.282 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000042562181 173295416 /nfs/dbraw/zinc/29/54/16/173295416.db2.gz XXRYBDYNWUEOOT-QWHCGFSZSA-N 1 0 248.370 2.040 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)cc1 ZINC000061300192 173318529 /nfs/dbraw/zinc/31/85/29/173318529.db2.gz SNGXKEDIUHQLEN-UHFFFAOYSA-N 1 0 226.707 2.277 10 0 BEAERO C[NH2+]C(C)(C)CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000061319703 173319385 /nfs/dbraw/zinc/31/93/85/173319385.db2.gz IEAJRZSCLULCBV-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C(C)(C)c1nncn1C1CCCCC1 ZINC000061152130 173320907 /nfs/dbraw/zinc/32/09/07/173320907.db2.gz DDQKARFVIDABQT-UHFFFAOYSA-N 1 0 222.336 2.238 10 0 BEAERO C[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000049577859 173322696 /nfs/dbraw/zinc/32/26/96/173322696.db2.gz VURWUVSNJLBJML-UHFFFAOYSA-N 1 0 240.297 2.149 10 0 BEAERO C[NH2+]C1CCN(C(=O)CC2CCCCC2)CC1 ZINC000037536500 173323374 /nfs/dbraw/zinc/32/33/74/173323374.db2.gz VWWFCGXYHZXTFK-UHFFFAOYSA-N 1 0 238.375 2.167 10 0 BEAERO C[NH2+]C1CCN(c2nsc3ccccc32)CC1 ZINC000095071549 173323561 /nfs/dbraw/zinc/32/35/61/173323561.db2.gz OADNBXVJNSGFQP-UHFFFAOYSA-N 1 0 247.367 2.485 10 0 BEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(C)on1 ZINC000054602534 173323608 /nfs/dbraw/zinc/32/36/08/173323608.db2.gz JDMXTPQZLMCHRB-QXMXGUDHSA-N 1 0 249.358 2.088 10 0 BEAERO C[NH2+]CC(=O)Nc1ccc2sccc2c1 ZINC000037019166 173333955 /nfs/dbraw/zinc/33/39/55/173333955.db2.gz DOVZNYAHFBXOIY-UHFFFAOYSA-N 1 0 220.297 2.059 10 0 BEAERO C[NH2+]CC(=O)c1cc(Br)ccc1C ZINC000083256256 173334722 /nfs/dbraw/zinc/33/47/22/173334722.db2.gz ODFMWYWIAVPYKP-UHFFFAOYSA-N 1 0 242.116 2.160 10 0 BEAERO C[NH2+]CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000082543287 173336008 /nfs/dbraw/zinc/33/60/08/173336008.db2.gz HFDTWKSJBIIBNF-UHFFFAOYSA-N 1 0 217.190 2.108 10 0 BEAERO C[NH2+]CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000041213871 173336778 /nfs/dbraw/zinc/33/67/78/173336778.db2.gz ZKFRIDJRWWMVKW-UHFFFAOYSA-N 1 0 205.301 2.386 10 0 BEAERO C[NH2+]CC1(CN(C)Cc2ccncc2)CCCC1 ZINC000051218181 173337473 /nfs/dbraw/zinc/33/74/73/173337473.db2.gz AEPSXKMLXIJOFN-UHFFFAOYSA-N 1 0 247.386 2.293 10 0 BEAERO C[NH2+]CC1(OC[C@@H]2CCCO2)CCCCCC1 ZINC000050494825 173337734 /nfs/dbraw/zinc/33/77/34/173337734.db2.gz XJMRGEQRJZUJSC-ZDUSSCGKSA-N 1 0 241.375 2.494 10 0 BEAERO C[NH2+]CCCCc1ccc(OC)c(OC)c1 ZINC000019788139 173345706 /nfs/dbraw/zinc/34/57/06/173345706.db2.gz JRDCANNWKNSLSM-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO C[NH2+]CCCN(CC1CC1)C(=O)OC(C)(C)C ZINC000095930069 173347171 /nfs/dbraw/zinc/34/71/71/173347171.db2.gz WJRUHEDQNMBKFF-UHFFFAOYSA-N 1 0 242.363 2.243 10 0 BEAERO C[NH2+]CCCOCc1ccc2c(c1)CCCO2 ZINC000077371339 173349932 /nfs/dbraw/zinc/34/99/32/173349932.db2.gz STMODVVOKKADHP-UHFFFAOYSA-N 1 0 235.327 2.138 10 0 BEAERO C[NH2+]CCCOCCCc1ccccc1 ZINC000052705517 173349975 /nfs/dbraw/zinc/34/99/75/173349975.db2.gz XJOYRTKQMIGZJQ-UHFFFAOYSA-N 1 0 207.317 2.245 10 0 BEAERO C[NH2+]CCCc1nc(-c2ccccc2F)c[nH]1 ZINC000037611595 173351437 /nfs/dbraw/zinc/35/14/37/173351437.db2.gz UVPFUBFEEPDKMX-UHFFFAOYSA-N 1 0 233.290 2.368 10 0 BEAERO C[NH2+]CCOCc1cc(Cl)c(OC)cc1C ZINC000077395013 173356799 /nfs/dbraw/zinc/35/67/99/173356799.db2.gz PHKLBJVCBFNUQV-UHFFFAOYSA-N 1 0 243.734 2.393 10 0 BEAERO C[NH2+]CCOCc1cc(C)n(C2CC2)c1C ZINC000077334631 173356862 /nfs/dbraw/zinc/35/68/62/173356862.db2.gz MYCBCUURCFKKTJ-UHFFFAOYSA-N 1 0 222.332 2.176 10 0 BEAERO C[NH2+]CCOCCc1c(C)[nH]c2ccccc21 ZINC000077364512 173356866 /nfs/dbraw/zinc/35/68/66/173356866.db2.gz ZYMLGTOLTVAQMR-UHFFFAOYSA-N 1 0 232.327 2.255 10 0 BEAERO C[NH2+]CCOCc1cc(C)n(C(C)C)c1C ZINC000077337419 173357205 /nfs/dbraw/zinc/35/72/05/173357205.db2.gz BXJCFHJDTGEGQY-UHFFFAOYSA-N 1 0 224.348 2.422 10 0 BEAERO C[NH2+]CC[C@@H](C)N1CCc2sccc2C1 ZINC000052382974 173357607 /nfs/dbraw/zinc/35/76/07/173357607.db2.gz IRUBLNOTGLEBQP-SNVBAGLBSA-N 1 0 224.373 2.104 10 0 BEAERO C[NH2+]CC[C@H](C)N1Cc2ccccc2C1 ZINC000052374352 173358381 /nfs/dbraw/zinc/35/83/81/173358381.db2.gz GJIMCNREZCYMFF-NSHDSACASA-N 1 0 204.317 2.000 10 0 BEAERO C[NH2+]CCc1cc(Br)ccc1F ZINC000053301909 173359516 /nfs/dbraw/zinc/35/95/16/173359516.db2.gz ZWRGTALHECSXPL-UHFFFAOYSA-N 1 0 232.096 2.350 10 0 BEAERO C[NH2+]CCc1c(O)ccc2ccccc21 ZINC000045227773 173359518 /nfs/dbraw/zinc/35/95/18/173359518.db2.gz KQBFEVCLOKQFOT-UHFFFAOYSA-N 1 0 201.269 2.307 10 0 BEAERO C[NH2+]CCc1ccc(OC)c(Br)c1 ZINC000053301993 173359755 /nfs/dbraw/zinc/35/97/55/173359755.db2.gz YLWFORLQLZRAND-UHFFFAOYSA-N 1 0 244.132 2.220 10 0 BEAERO C[NH2+]CCc1noc(C2CCCCCC2)n1 ZINC000053716307 173362252 /nfs/dbraw/zinc/36/22/52/173362252.db2.gz VJTXOKWGEGXEQP-UHFFFAOYSA-N 1 0 223.320 2.269 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1ccc2ccccc2n1 ZINC000051867600 173364895 /nfs/dbraw/zinc/36/48/95/173364895.db2.gz QILMTECZNZLYOS-SNVBAGLBSA-N 1 0 216.284 2.222 10 0 BEAERO C[NH2+]C[C@@H](O)Cc1ccc(Cl)cc1Cl ZINC000041262196 173365439 /nfs/dbraw/zinc/36/54/39/173365439.db2.gz MFPHBFINWRYHNN-VIFPVBQESA-N 1 0 234.126 2.116 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)n1ccnc1C ZINC000052576233 173366602 /nfs/dbraw/zinc/36/66/02/173366602.db2.gz XWZZRUGVWBFPQD-ZDUSSCGKSA-N 1 0 215.300 2.000 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000039978696 173367176 /nfs/dbraw/zinc/36/71/76/173367176.db2.gz XBWHTAJATCHJOB-ZDUSSCGKSA-N 1 0 204.317 2.043 10 0 BEAERO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)C(C)(C)C ZINC000122573096 173368825 /nfs/dbraw/zinc/36/88/25/173368825.db2.gz NQKHFUGBLPEUSK-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cnc3ccccc3c2)C1 ZINC000055142204 173370816 /nfs/dbraw/zinc/37/08/16/173370816.db2.gz FHUAUAPGDPSVNM-LBPRGKRZSA-N 1 0 241.338 2.281 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(F)c(C)c2)C1 ZINC000061118538 173371239 /nfs/dbraw/zinc/37/12/39/173371239.db2.gz CPVJMGIWRJRKSI-NSHDSACASA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@@]1(Cc2ccc(C)cc2)CCOC1 ZINC000054663822 173373175 /nfs/dbraw/zinc/37/31/75/173373175.db2.gz VENLBMPCVILIOR-AWEZNQCLSA-N 1 0 219.328 2.164 10 0 BEAERO C[NH2+]C[C@@]1(Cc2ccccc2C)CCOC1 ZINC000054663833 173373457 /nfs/dbraw/zinc/37/34/57/173373457.db2.gz WKQMIPNFJISCND-AWEZNQCLSA-N 1 0 219.328 2.164 10 0 BEAERO C[NH2+]C[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962034 173375979 /nfs/dbraw/zinc/37/59/79/173375979.db2.gz SDZZEONNBLZYHU-NSHDSACASA-N 1 0 215.300 2.331 10 0 BEAERO C[NH2+]C[C@H](O)CSc1ccc(Cl)cc1 ZINC000019686873 173376511 /nfs/dbraw/zinc/37/65/11/173376511.db2.gz BPJHFUGXEWUELY-VIFPVBQESA-N 1 0 231.748 2.012 10 0 BEAERO C[NH2+]C[C@H](O)c1c[nH]c2c1cccc2Cl ZINC000071487923 173376780 /nfs/dbraw/zinc/37/67/80/173376780.db2.gz AYRCBDFLQPLIPH-JTQLQIEISA-N 1 0 224.691 2.074 10 0 BEAERO C[NH2+]C[C@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000019864618 173376984 /nfs/dbraw/zinc/37/69/84/173376984.db2.gz JZCYLQQLQRQXPX-LBPRGKRZSA-N 1 0 237.343 2.078 10 0 BEAERO C[NH2+]C[C@H](c1ccccc1)n1cc(Cl)cn1 ZINC000052577323 173378011 /nfs/dbraw/zinc/37/80/11/173378011.db2.gz NLDCGDRGVPOCMX-GFCCVEGCSA-N 1 0 235.718 2.345 10 0 BEAERO C[NH2+]C[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000039795617 173378126 /nfs/dbraw/zinc/37/81/26/173378126.db2.gz DNCUIMRLEHUIQW-CQSZACIVSA-N 1 0 236.359 2.296 10 0 BEAERO C[NH2+]C[C@H](O[C@H]1CCOC1)c1ccccc1C ZINC000104112501 173378169 /nfs/dbraw/zinc/37/81/69/173378169.db2.gz VCDPLYQKTOSFPL-JSGCOSHPSA-N 1 0 235.327 2.061 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(SC)cc2)C1 ZINC000053011540 173381346 /nfs/dbraw/zinc/38/13/46/173381346.db2.gz HLXYLLAOPVNSML-LLVKDONJSA-N 1 0 236.384 2.454 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000011892236 173381470 /nfs/dbraw/zinc/38/14/70/173381470.db2.gz LWIODFBAEVJDDE-SNVBAGLBSA-N 1 0 224.735 2.386 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000011892223 173381623 /nfs/dbraw/zinc/38/16/23/173381623.db2.gz CMYDUZJDNHJDED-SNVBAGLBSA-N 1 0 224.735 2.386 10 0 BEAERO C[NH2+]C[C@H]1C[C@H]1c1ccc(Br)o1 ZINC000054588371 173382583 /nfs/dbraw/zinc/38/25/83/173382583.db2.gz ZALAVZMILSUIDP-RNFRBKRXSA-N 1 0 230.105 2.365 10 0 BEAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)c(C)c1 ZINC000054589043 173382909 /nfs/dbraw/zinc/38/29/09/173382909.db2.gz MAWAEXALROCXEW-VXGBXAGGSA-N 1 0 205.301 2.327 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1cc(F)ccc1F ZINC000054589838 173382957 /nfs/dbraw/zinc/38/29/57/173382957.db2.gz SNIWEUJYISBKKL-PRHODGIISA-N 1 0 211.255 2.462 10 0 BEAERO C[NH2+]C[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000055032680 173383413 /nfs/dbraw/zinc/38/34/13/173383413.db2.gz YSECOEJUFRJTLW-JTQLQIEISA-N 1 0 233.233 2.132 10 0 BEAERO C[NH2+]C[C@](C)(O)c1c(C)cc(C)cc1C ZINC000036158347 173383427 /nfs/dbraw/zinc/38/34/27/173383427.db2.gz AFOPVXHRQYURSD-ZDUSSCGKSA-N 1 0 207.317 2.039 10 0 BEAERO C[NH2+]Cc1c(C)cc(C)nc1N(C)C1CC1 ZINC000051439372 173384114 /nfs/dbraw/zinc/38/41/14/173384114.db2.gz ILWJAMITVHOKMN-UHFFFAOYSA-N 1 0 219.332 2.016 10 0 BEAERO C[NH2+]Cc1cc(C)nc(C2CCCC2)n1 ZINC000054830949 173385813 /nfs/dbraw/zinc/38/58/13/173385813.db2.gz SVKKHFVEPWPIAZ-UHFFFAOYSA-N 1 0 205.305 2.162 10 0 BEAERO C[NH2+]Cc1cc(C)ccc1O[C@H]1CCC[C@H]1O ZINC000071403599 173385908 /nfs/dbraw/zinc/38/59/08/173385908.db2.gz QRBMFYJAEJNBTC-OCCSQVGLSA-N 1 0 235.327 2.007 10 0 BEAERO C[NH2+]Cc1cc(Cn2cc(Cl)cn2)oc1C ZINC000052577144 173387510 /nfs/dbraw/zinc/38/75/10/173387510.db2.gz WHIGNALTCSAJRU-UHFFFAOYSA-N 1 0 239.706 2.206 10 0 BEAERO C[NH2+]Cc1ccc(-n2cc(C)cn2)c(C)c1 ZINC000050562472 173388336 /nfs/dbraw/zinc/38/83/36/173388336.db2.gz HBJPRFDPAPZIFC-UHFFFAOYSA-N 1 0 215.300 2.209 10 0 BEAERO C[NH2+]Cc1ccc(Oc2ccc(C)cc2)nn1 ZINC000051545339 173388572 /nfs/dbraw/zinc/38/85/72/173388572.db2.gz MYNIHVJJOMIDKU-UHFFFAOYSA-N 1 0 229.283 2.297 10 0 BEAERO C[NH2+]Cc1ccnc(-c2cc(F)ccc2C)n1 ZINC000054791154 173391470 /nfs/dbraw/zinc/39/14/70/173391470.db2.gz LVIYPERVPYILPU-UHFFFAOYSA-N 1 0 231.274 2.311 10 0 BEAERO C[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000051400039 173391479 /nfs/dbraw/zinc/39/14/79/173391479.db2.gz ZAYBVMWJEXSIFK-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO C[NH2+]Cc1ccnc(N(C)Cc2ccsc2)c1 ZINC000051443703 173391767 /nfs/dbraw/zinc/39/17/67/173391767.db2.gz KQVFYHPHPSSBOP-UHFFFAOYSA-N 1 0 247.367 2.499 10 0 BEAERO C[NH2+]Cc1cccnc1OCc1ccccc1 ZINC000051523250 173391870 /nfs/dbraw/zinc/39/18/70/173391870.db2.gz UUHSFGWTISFVRO-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]Cc1cnc(N2CC[C@@H](C)C[C@H]2C)s1 ZINC000054905294 173392101 /nfs/dbraw/zinc/39/21/01/173392101.db2.gz AYOQETAOMFVKRF-NXEZZACHSA-N 1 0 239.388 2.487 10 0 BEAERO C[NH2+]Cc1cnc(N2CCC[C@H](C)C2)s1 ZINC000054900618 173392386 /nfs/dbraw/zinc/39/23/86/173392386.db2.gz MYFYEJPUBSPDPL-VIFPVBQESA-N 1 0 225.361 2.099 10 0 BEAERO C[NH2+]Cc1cnc(-c2cccc(O)c2)s1 ZINC000040996944 173392574 /nfs/dbraw/zinc/39/25/74/173392574.db2.gz IOTHLEZNZDNPPC-UHFFFAOYSA-N 1 0 220.297 2.235 10 0 BEAERO C[NH2+]Cc1cnc(Cc2ccccc2)s1 ZINC000040421782 173392584 /nfs/dbraw/zinc/39/25/84/173392584.db2.gz JOGKQVPRZCARKN-UHFFFAOYSA-N 1 0 218.325 2.453 10 0 BEAERO C[NH2+]Cc1cnc([C@@H]2CCC[C@@H](C)C2)nc1 ZINC000054855484 173392637 /nfs/dbraw/zinc/39/26/37/173392637.db2.gz DVQHRLRSCWARSX-ZYHUDNBSSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1cnc(N2CC[C@H](C)C2)c(Cl)c1 ZINC000051448470 173392646 /nfs/dbraw/zinc/39/26/46/173392646.db2.gz ONGFJAGUXSZCOW-VIFPVBQESA-N 1 0 239.750 2.301 10 0 BEAERO C[NH2+]Cc1csc(N2CCCCCC2)n1 ZINC000062214938 173394065 /nfs/dbraw/zinc/39/40/65/173394065.db2.gz CNCKFBXFPMNFOS-UHFFFAOYSA-N 1 0 225.361 2.243 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(C)o2)cs1 ZINC000053294111 173394214 /nfs/dbraw/zinc/39/42/14/173394214.db2.gz WVPNYBKUFJCQEX-UHFFFAOYSA-N 1 0 208.286 2.431 10 0 BEAERO C[NH2+]Cc1nc(C)cc(-c2ccccc2)n1 ZINC000070947488 173394514 /nfs/dbraw/zinc/39/45/14/173394514.db2.gz DJXJQKXVIBJVRP-UHFFFAOYSA-N 1 0 213.284 2.171 10 0 BEAERO C[NH2+]Cc1nc(C)c(C(F)(F)F)s1 ZINC000083253357 173395523 /nfs/dbraw/zinc/39/55/23/173395523.db2.gz WVYYHIXFALBHFQ-UHFFFAOYSA-N 1 0 210.224 2.190 10 0 BEAERO C[NH2+]Cc1nc2cc(OC)ccc2n1C1CC1 ZINC000076044013 173396862 /nfs/dbraw/zinc/39/68/62/173396862.db2.gz XDKFCIWVNRRFJQ-UHFFFAOYSA-N 1 0 231.299 2.099 10 0 BEAERO C[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000077299365 173397525 /nfs/dbraw/zinc/39/75/25/173397525.db2.gz ZSOGMRPBOKVMQB-UHFFFAOYSA-N 1 0 206.220 2.200 10 0 BEAERO C[NH2+]Cc1nc(-c2cc(C)oc2C)c[nH]1 ZINC000036877342 173397967 /nfs/dbraw/zinc/39/79/67/173397967.db2.gz STVGOYSPAGLXDS-UHFFFAOYSA-N 1 0 205.261 2.006 10 0 BEAERO C[NH2+]Cc1ncc(-c2cc(C)ccc2OC)o1 ZINC000077362831 173398149 /nfs/dbraw/zinc/39/81/49/173398149.db2.gz YYWQHUDPEZFQBC-UHFFFAOYSA-N 1 0 232.283 2.378 10 0 BEAERO C[NH2+][C@@H](C)c1cc(C)ccc1O[C@H]1CCOC1 ZINC000070071690 173418392 /nfs/dbraw/zinc/41/83/92/173418392.db2.gz WMIWTYUNVRJEMG-RYUDHWBXSA-N 1 0 235.327 2.443 10 0 BEAERO C[NH2+][C@@H](Cc1ccccc1F)[C@@H]1CCCOC1 ZINC000062237695 173425504 /nfs/dbraw/zinc/42/55/04/173425504.db2.gz XBHAMLUXBHBWBZ-OCCSQVGLSA-N 1 0 237.318 2.383 10 0 BEAERO C[NH2+][C@@H]1C[C@@H](C)c2c1cc(OC)cc2OC ZINC000082618022 173439356 /nfs/dbraw/zinc/43/93/56/173439356.db2.gz SSZKHDXNOKEXNS-LDYMZIIASA-N 1 0 221.300 2.472 10 0 BEAERO C[NH2+][C@@H]1c2cccc(OC)c2S[C@@H]1C ZINC000043636208 173439601 /nfs/dbraw/zinc/43/96/01/173439601.db2.gz OLVPTFCBAMJZRN-XCBNKYQSSA-N 1 0 209.314 2.450 10 0 BEAERO C[NH2+][C@H](C)C(=O)c1ccc(Br)s1 ZINC000071562656 173445553 /nfs/dbraw/zinc/44/55/53/173445553.db2.gz WPSQRGYXQZFAGF-RXMQYKEDSA-N 1 0 248.145 2.301 10 0 BEAERO C[NH2+][C@H](C)C1(c2ccccc2)CCOCC1 ZINC000062783728 173445683 /nfs/dbraw/zinc/44/56/83/173445683.db2.gz ZBYLYEJWNNHGQE-GFCCVEGCSA-N 1 0 219.328 2.343 10 0 BEAERO C[NH2+][C@H](C)c1cccc(OC(=O)N(C)C)c1 ZINC000090411521 173449343 /nfs/dbraw/zinc/44/93/43/173449343.db2.gz UDYXXHXGNRGNDS-SECBINFHSA-N 1 0 222.288 2.027 10 0 BEAERO C[NH2+][C@H](C)c1ccc(OCCn2cccn2)cc1 ZINC000049313684 173449489 /nfs/dbraw/zinc/44/94/89/173449489.db2.gz LIPCBQPSSIEDOX-GFCCVEGCSA-N 1 0 245.326 2.243 10 0 BEAERO C[NH2+][C@H](Cc1ccncc1)C1CCCC1 ZINC000053135125 173455124 /nfs/dbraw/zinc/45/51/24/173455124.db2.gz JUJKNZVGSGQACT-CYBMUJFWSA-N 1 0 204.317 2.402 10 0 BEAERO C[NH2+][C@H](c1sccc1C)[C@H]1CCCO1 ZINC000042729406 173459089 /nfs/dbraw/zinc/45/90/89/173459089.db2.gz CXFXTXVNAAYKGT-ZJUUUORDSA-N 1 0 211.330 2.496 10 0 BEAERO C[NH2+][C@H]1CCN([C@H](C)c2ccsc2)C1 ZINC000061363804 173466186 /nfs/dbraw/zinc/46/61/86/173466186.db2.gz KGZSSFFLSHTAAE-KOLCDFICSA-N 1 0 210.346 2.103 10 0 BEAERO C[NH2+][C@H]1CCN(c2cc(C)cc(C)c2)C1 ZINC000037242008 173466206 /nfs/dbraw/zinc/46/62/06/173466206.db2.gz UFKMWRZARHYFQK-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO C[NH2+][C@H]1c2cccc(OC)c2S[C@H]1C ZINC000043642058 173468974 /nfs/dbraw/zinc/46/89/74/173468974.db2.gz OLVPTFCBAMJZRN-OIBJUYFYSA-N 1 0 209.314 2.450 10 0 BEAERO COC1(C[C@H](C)[NH2+][C@H]2CCO[C@@H]2C)CCC1 ZINC000336757999 174008657 /nfs/dbraw/zinc/00/86/57/174008657.db2.gz HZGAERVNSGIVCL-TUAOUCFPSA-N 1 0 227.348 2.101 10 0 BEAERO COC1(C[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)CCC1 ZINC000336757996 174009582 /nfs/dbraw/zinc/00/95/82/174009582.db2.gz HZGAERVNSGIVCL-QJPTWQEYSA-N 1 0 227.348 2.101 10 0 BEAERO COC1CCN([C@H](C)C[NH2+]CCC(C)C)CC1 ZINC000053490628 174029496 /nfs/dbraw/zinc/02/94/96/174029496.db2.gz NTCIWTVRXQTILO-CYBMUJFWSA-N 1 0 242.407 2.121 10 0 BEAERO COC1CC[NH+]([C@@H]2CCCCCC[C@H]2N)CC1 ZINC000037266217 174030489 /nfs/dbraw/zinc/03/04/89/174030489.db2.gz DATWMZZAIDNYMS-ZIAGYGMSSA-N 1 0 240.391 2.147 10 0 BEAERO COCCC[N@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000062034308 174221066 /nfs/dbraw/zinc/22/10/66/174221066.db2.gz SKOPMDGKZQHLQF-MCIONIFRSA-N 1 0 243.391 2.140 10 0 BEAERO COCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116293629 174228941 /nfs/dbraw/zinc/22/89/41/174228941.db2.gz JHRGEYUEFAGEJO-LLVKDONJSA-N 1 0 209.289 2.453 10 0 BEAERO COCCC[NH2+]CCN(C)[C@@H]1CCCC[C@H]1C ZINC000053439028 174247653 /nfs/dbraw/zinc/24/76/53/174247653.db2.gz QUVNCWCYDVFQFP-ZIAGYGMSSA-N 1 0 242.407 2.123 10 0 BEAERO COCCC[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043477231 174248386 /nfs/dbraw/zinc/24/83/86/174248386.db2.gz HRUPNRHTUOPJFS-UHFFFAOYSA-N 1 0 229.707 2.172 10 0 BEAERO COCCCOC1(C[NH2+]C2CC2)CCCCC1 ZINC000050486287 174253385 /nfs/dbraw/zinc/25/33/85/174253385.db2.gz BMOQHMDYTYDPEL-UHFFFAOYSA-N 1 0 241.375 2.494 10 0 BEAERO COCCCOCc1occc1C[NH2+]C(C)C ZINC000052597565 174255029 /nfs/dbraw/zinc/25/50/29/174255029.db2.gz XHZVRENXRKWVCK-UHFFFAOYSA-N 1 0 241.331 2.331 10 0 BEAERO COCCCOCc1cc(C[NH2+]C(C)C)co1 ZINC000052597739 174255103 /nfs/dbraw/zinc/25/51/03/174255103.db2.gz QHVISILHYPOPRY-UHFFFAOYSA-N 1 0 241.331 2.331 10 0 BEAERO COCCC[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000181284060 174264875 /nfs/dbraw/zinc/26/48/75/174264875.db2.gz TUNWCQQCAMBLFJ-RDBSUJKOSA-N 1 0 242.407 2.120 10 0 BEAERO COCCN(C1CC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000042518155 174285077 /nfs/dbraw/zinc/28/50/77/174285077.db2.gz FVVDHULZCBUFGZ-KBPBESRZSA-N 1 0 240.391 2.147 10 0 BEAERO COCCN(C1CC1)[C@](C)(C[NH3+])CCC(C)C ZINC000042517892 174285642 /nfs/dbraw/zinc/28/56/42/174285642.db2.gz UWHWQOIWKRXBNB-AWEZNQCLSA-N 1 0 242.407 2.251 10 0 BEAERO COCCN([C@H](C)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518141 174285652 /nfs/dbraw/zinc/28/56/52/174285652.db2.gz FVKNOARXDDTBTB-DOMZBBRYSA-N 1 0 248.370 2.186 10 0 BEAERO COCC[N@H+](C[C@H]1C[C@H](C)CCC1=O)C1CC1 ZINC000053929355 174296892 /nfs/dbraw/zinc/29/68/92/174296892.db2.gz GSOHDHARTMVIFB-VXGBXAGGSA-N 1 0 239.359 2.103 10 0 BEAERO COCCN(c1ccccc1C[C@H](C)[NH3+])C1CC1 ZINC000104271163 174301949 /nfs/dbraw/zinc/30/19/49/174301949.db2.gz XAGAPPRKTKPDRO-LBPRGKRZSA-N 1 0 248.370 2.192 10 0 BEAERO COCC[N@H+]([C@@H](CN)CC(C)C)[C@@H](C)C1CC1 ZINC000042615333 174301997 /nfs/dbraw/zinc/30/19/97/174301997.db2.gz UUDWUXQFYBYVSL-GXTWGEPZSA-N 1 0 242.407 2.107 10 0 BEAERO COCC[N@@H+]([C@@H](CN)C(C)(C)C)[C@@H](C)C1CC1 ZINC000042615270 174302557 /nfs/dbraw/zinc/30/25/57/174302557.db2.gz BPVIEIAHTJDFCH-AAEUAGOBSA-N 1 0 242.407 2.107 10 0 BEAERO COCCN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062623359 174303934 /nfs/dbraw/zinc/30/39/34/174303934.db2.gz NIONGRJRSQTDPU-CQSZACIVSA-N 1 0 248.370 2.058 10 0 BEAERO COCC[NH2+]CCCCOc1ccc(C)cc1 ZINC000041582309 174332111 /nfs/dbraw/zinc/33/21/11/174332111.db2.gz BOUUOODFOSMQLG-UHFFFAOYSA-N 1 0 237.343 2.390 10 0 BEAERO COCC[NH2+]CCCOc1ccc(Cl)cc1 ZINC000041582303 174332489 /nfs/dbraw/zinc/33/24/89/174332489.db2.gz DDEQLBJYKCEESG-UHFFFAOYSA-N 1 0 243.734 2.345 10 0 BEAERO COCC[NH2+]CCCCOc1ccccc1 ZINC000041582307 174332588 /nfs/dbraw/zinc/33/25/88/174332588.db2.gz GLKCGZBYAHULKZ-UHFFFAOYSA-N 1 0 223.316 2.082 10 0 BEAERO COCC[NH2+]CCCOc1ccc(C)cc1C ZINC000053564722 174332807 /nfs/dbraw/zinc/33/28/07/174332807.db2.gz JIDJYCJWBBGMCG-UHFFFAOYSA-N 1 0 237.343 2.308 10 0 BEAERO COCC[NH2+]CCOc1ccc(C(C)C)cc1 ZINC000041279077 174333355 /nfs/dbraw/zinc/33/33/55/174333355.db2.gz SSKFDFKRMWWPON-UHFFFAOYSA-N 1 0 237.343 2.425 10 0 BEAERO COCC[NH2+]CCOc1c(C)cc(C)cc1C ZINC000041279135 174333547 /nfs/dbraw/zinc/33/35/47/174333547.db2.gz MRSXQTHXGLEDTL-UHFFFAOYSA-N 1 0 237.343 2.227 10 0 BEAERO COCC[NH2+]CCOc1cccc(C(C)C)c1 ZINC000041279068 174333606 /nfs/dbraw/zinc/33/36/06/174333606.db2.gz SAUAFTXQBLXJRN-UHFFFAOYSA-N 1 0 237.343 2.425 10 0 BEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1ccc(F)cc1C ZINC000054598811 174334586 /nfs/dbraw/zinc/33/45/86/174334586.db2.gz TZMPOLFQVXQRFJ-SMDDNHRTSA-N 1 0 237.318 2.474 10 0 BEAERO COCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccccc1F ZINC000054599106 174334796 /nfs/dbraw/zinc/33/47/96/174334796.db2.gz WBNOGOJOLDUZSU-SMDDNHRTSA-N 1 0 237.318 2.339 10 0 BEAERO COCCO[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000019267282 174366826 /nfs/dbraw/zinc/36/68/26/174366826.db2.gz PADRJBZRVJAUIH-ILXRZTDVSA-N 1 0 249.354 2.313 10 0 BEAERO COCC[C@@](C)([NH3+])c1ccc(F)c(F)c1 ZINC000055237121 174399630 /nfs/dbraw/zinc/39/96/30/174399630.db2.gz NTCALIZFNQYWEV-LLVKDONJSA-N 1 0 215.243 2.175 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(C)(C)OC)C1(C)C ZINC000309411637 174782665 /nfs/dbraw/zinc/78/26/65/174782665.db2.gz BWROCSUQLHXHHV-GARJFASQSA-N 1 0 229.364 2.061 10 0 BEAERO COc1c(C)cnc(C[NH2+]C(C)C)c1C ZINC000019844418 174926917 /nfs/dbraw/zinc/92/69/17/174926917.db2.gz JFSWHMDUTJADRP-UHFFFAOYSA-N 1 0 208.305 2.205 10 0 BEAERO COc1cc(C)c(Cl)c(C)c1C(N)=[NH2+] ZINC000082595274 174958638 /nfs/dbraw/zinc/95/86/38/174958638.db2.gz OFHSXUDNHBHSLI-UHFFFAOYSA-N 1 0 212.680 2.250 10 0 BEAERO COc1cc(C)cc(C)c1[C@H](O)[C@H]1CCC[NH2+]1 ZINC000083266765 174965225 /nfs/dbraw/zinc/96/52/25/174965225.db2.gz MAKNPTPDYXCDSA-BXUZGUMPSA-N 1 0 235.327 2.097 10 0 BEAERO COc1cc(CCC[NH3+])ccc1OC(C)C ZINC000043559431 174977939 /nfs/dbraw/zinc/97/79/39/174977939.db2.gz WFTBLRWMFUSHQO-UHFFFAOYSA-N 1 0 223.316 2.374 10 0 BEAERO COc1cc(OC)c([C@@H](C)CC[NH3+])cc1OC ZINC000096889206 175007992 /nfs/dbraw/zinc/00/79/92/175007992.db2.gz QPCJZWZCYKUIAY-VIFPVBQESA-N 1 0 239.315 2.165 10 0 BEAERO COc1cc(OCCC[NH3+])c(OC)cc1Cl ZINC000096890361 175012508 /nfs/dbraw/zinc/01/25/08/175012508.db2.gz RLRJDSBVHBVADC-UHFFFAOYSA-N 1 0 245.706 2.085 10 0 BEAERO COc1cc([C@@H]2CC[C@@H]2[NH3+])c(OC)cc1C ZINC000006069835 175014895 /nfs/dbraw/zinc/01/48/95/175014895.db2.gz RUSUFOFGWALPJC-ONGXEEELSA-N 1 0 221.300 2.217 10 0 BEAERO COc1cc([C@H](C)[NH3+])ccc1Br ZINC000083593110 175015088 /nfs/dbraw/zinc/01/50/88/175015088.db2.gz TZPQBWQYEUMEGL-LURJTMIESA-N 1 0 230.105 2.477 10 0 BEAERO COc1cc([C@H]2CCC[N@H+](C)C2)ccc1N ZINC000075906353 175016547 /nfs/dbraw/zinc/01/65/47/175016547.db2.gz ZFSUHCWWEUIUHP-NSHDSACASA-N 1 0 220.316 2.087 10 0 BEAERO COc1cc([C@H]2C[C@@H](C)C[NH2+]2)cc(OC)c1O ZINC000003705271 175016659 /nfs/dbraw/zinc/01/66/59/175016659.db2.gz IOQHMIKLQUQPKU-PSASIEDQSA-N 1 0 237.299 2.080 10 0 BEAERO COc1cc2c(c(Cl)c1OC)CC[NH2+]C2 ZINC000082491567 175019518 /nfs/dbraw/zinc/01/95/18/175019518.db2.gz WSMHWQNERXARSE-UHFFFAOYSA-N 1 0 227.691 2.003 10 0 BEAERO COc1cc2c(cc1OC)CC([NH+]1CCCC1)C2 ZINC000013471404 175024750 /nfs/dbraw/zinc/02/47/50/175024750.db2.gz QBLCMEXZWCBQBF-UHFFFAOYSA-N 1 0 247.338 2.267 10 0 BEAERO COc1ccc(-c2cncc(F)c2)cc1C[NH3+] ZINC000049576670 175037070 /nfs/dbraw/zinc/03/70/70/175037070.db2.gz FJJUOXZGWFRUIR-UHFFFAOYSA-N 1 0 232.258 2.355 10 0 BEAERO CCC1(CNC(=O)C[C@H]([NH3+])C(C)C)CCCC1 ZINC000225812716 487629758 /nfs/dbraw/zinc/62/97/58/487629758.db2.gz WCFOIOBWCKDNRS-LBPRGKRZSA-N 1 0 240.391 2.446 10 0 BEAERO COc1ccc(/C=C/CCC[NH3+])c(OC)c1 ZINC000071523139 175047048 /nfs/dbraw/zinc/04/70/48/175047048.db2.gz WXIYUBRRQHIYJM-GQCTYLIASA-N 1 0 221.300 2.456 10 0 BEAERO COc1ccc(C(=O)C2([NH3+])CCCC2)cc1 ZINC000011630607 175053020 /nfs/dbraw/zinc/05/30/20/175053020.db2.gz QDJADLZVPMRJNS-UHFFFAOYSA-N 1 0 219.284 2.149 10 0 BEAERO COc1ccc(C(=O)C[NH2+]C(C)(C)C)cc1F ZINC000049829656 175053913 /nfs/dbraw/zinc/05/39/13/175053913.db2.gz SXOJEYGATROICJ-UHFFFAOYSA-N 1 0 239.290 2.405 10 0 BEAERO COc1ccc(C(=O)[C@@H]([NH3+])C(C)C)cc1F ZINC000036161633 175065220 /nfs/dbraw/zinc/06/52/20/175065220.db2.gz MCYZVRKKNOOUIF-NSHDSACASA-N 1 0 225.263 2.000 10 0 BEAERO COc1ccc(C(=O)[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000071549733 175065420 /nfs/dbraw/zinc/06/54/20/175065420.db2.gz FZOHHNGKFNUIOJ-NSHDSACASA-N 1 0 239.702 2.283 10 0 BEAERO COc1ccc(C(C)C)cc1C[C@@H](O)CC[NH3+] ZINC000041278994 175069191 /nfs/dbraw/zinc/06/91/91/175069191.db2.gz VFAJNFIKTKBPDL-ZDUSSCGKSA-N 1 0 237.343 2.071 10 0 BEAERO COc1ccc(C)c2c(N)cc(C)[nH+]c12 ZINC000050869470 175070558 /nfs/dbraw/zinc/07/05/58/175070558.db2.gz KCXWEEIMVLMASN-UHFFFAOYSA-N 1 0 202.257 2.442 10 0 BEAERO COc1ccc(C)cc1-c1nnc(CC[NH3+])s1 ZINC000075430065 175071996 /nfs/dbraw/zinc/07/19/96/175071996.db2.gz QBXRGEDTFKQWDI-UHFFFAOYSA-N 1 0 249.339 2.023 10 0 BEAERO COc1ccc(C)cc1[C@@H]1C[NH2+]C[C@H](C2CC2)O1 ZINC000071308781 175080419 /nfs/dbraw/zinc/08/04/19/175080419.db2.gz JSLYVZGIWCYUOP-CABCVRRESA-N 1 0 247.338 2.443 10 0 BEAERO COc1ccc(C)cc1[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000071569483 175081314 /nfs/dbraw/zinc/08/13/14/175081314.db2.gz UQVIAOAHPBMAIR-DOMZBBRYSA-N 1 0 249.354 2.211 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])CN1CCCCC1 ZINC000022563850 175081888 /nfs/dbraw/zinc/08/18/88/175081888.db2.gz VMDROYCUKBMDRI-CQSZACIVSA-N 1 0 248.370 2.489 10 0 BEAERO COc1ccc(C)cc1[C@H](O)[C@@H]1CCCC[NH2+]1 ZINC000070248603 175082027 /nfs/dbraw/zinc/08/20/27/175082027.db2.gz KVTDOGMVYYVNSC-JSGCOSHPSA-N 1 0 235.327 2.179 10 0 BEAERO COc1ccc(C)cc1[C@H](OCC[NH3+])C1CC1 ZINC000071545720 175082057 /nfs/dbraw/zinc/08/20/57/175082057.db2.gz XYBNZWFRBIXXJJ-CQSZACIVSA-N 1 0 235.327 2.430 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])[C@H]1CCOC1 ZINC000048626166 175082386 /nfs/dbraw/zinc/08/23/86/175082386.db2.gz DDHUONPLQRRDML-GXFFZTMASA-N 1 0 221.300 2.040 10 0 BEAERO COc1ccc(C)cc1[C@H]1C[NH2+]CCCO1 ZINC000035598738 175082417 /nfs/dbraw/zinc/08/24/17/175082417.db2.gz NBOUKHFGIRDHBI-CYBMUJFWSA-N 1 0 221.300 2.055 10 0 BEAERO COc1ccc(C2([NH3+])CC2)cc1Br ZINC000071551269 175084398 /nfs/dbraw/zinc/08/43/98/175084398.db2.gz LETXTSCMTJYEJX-UHFFFAOYSA-N 1 0 242.116 2.406 10 0 BEAERO COc1ccc(CCCC[NH3+])c(OC)c1C ZINC000071531318 175089250 /nfs/dbraw/zinc/08/92/50/175089250.db2.gz NQFHVZDDXLSPIE-UHFFFAOYSA-N 1 0 223.316 2.294 10 0 BEAERO COc1ccc(CC[NH2+]CC2CC2)cc1F ZINC000041242412 175091533 /nfs/dbraw/zinc/09/15/33/175091533.db2.gz LIXYSQCPSPGIJT-UHFFFAOYSA-N 1 0 223.291 2.376 10 0 BEAERO COc1ccc(CCSCC[NH3+])cc1F ZINC000057953379 175092535 /nfs/dbraw/zinc/09/25/35/175092535.db2.gz WQZPPVSDLQPOIR-UHFFFAOYSA-N 1 0 229.320 2.069 10 0 BEAERO COc1ccc(CN2CC(C)(C)[NH2+]C[C@H]2C)cc1 ZINC000041302228 175098518 /nfs/dbraw/zinc/09/85/18/175098518.db2.gz XKJHKNKAUJUELL-GFCCVEGCSA-N 1 0 248.370 2.268 10 0 BEAERO COc1ccc(C[N@@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000378352058 175099030 /nfs/dbraw/zinc/09/90/30/175099030.db2.gz XSXQSROSZLVCRP-CQSZACIVSA-N 1 0 249.354 2.290 10 0 BEAERO COc1ccc(C[C@H](C[NH3+])C[C@H]2CCCO2)cc1 ZINC000053339289 175117012 /nfs/dbraw/zinc/11/70/12/175117012.db2.gz JZEQGYZTPHULGM-DZGCQCFKSA-N 1 0 249.354 2.382 10 0 BEAERO COc1ccc(C[C@H]([NH3+])CC2CC2)cc1OC ZINC000049730943 175117265 /nfs/dbraw/zinc/11/72/65/175117265.db2.gz MDNMGSLEFWKIOU-GFCCVEGCSA-N 1 0 235.327 2.374 10 0 BEAERO COc1ccc(C[C@H](C[NH3+])C(C)C)c(OC)c1 ZINC000041278981 175117364 /nfs/dbraw/zinc/11/73/64/175117364.db2.gz REQPSFAWPOZKHQ-GFCCVEGCSA-N 1 0 237.343 2.477 10 0 BEAERO COc1ccc(C[C@H](C[NH3+])C2CC2)c(OC)c1 ZINC000041266233 175117403 /nfs/dbraw/zinc/11/74/03/175117403.db2.gz AYLMJENGZNYSIP-GFCCVEGCSA-N 1 0 235.327 2.231 10 0 BEAERO COc1ccc(Cl)c2c1CC[C@H]([NH3+])C2 ZINC000029212760 175118863 /nfs/dbraw/zinc/11/88/63/175118863.db2.gz WSEJCMUVXHDUTI-ZETCQYMHSA-N 1 0 211.692 2.165 10 0 BEAERO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[NH2+]1 ZINC000036164271 175120337 /nfs/dbraw/zinc/12/03/37/175120337.db2.gz DLVKBXDKLPNTMN-SNVBAGLBSA-N 1 0 239.702 2.283 10 0 BEAERO COc1ccc(F)c(C[NH3+])c1Br ZINC000075844820 175124531 /nfs/dbraw/zinc/12/45/31/175124531.db2.gz RLUBXFLOVUCNFA-UHFFFAOYSA-N 1 0 234.068 2.056 10 0 BEAERO COc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]1C ZINC000291290066 175129475 /nfs/dbraw/zinc/12/94/75/175129475.db2.gz VNFVLNUMTFVFBN-LDYMZIIASA-N 1 0 209.264 2.332 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])[C@@H]1CCCO1 ZINC000034957122 175132294 /nfs/dbraw/zinc/13/22/94/175132294.db2.gz YFNJZZIQNWWDQN-NWDGAFQWSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc(F)cc1[C@@H](O)CC[NH2+]C(C)C ZINC000049830573 175133800 /nfs/dbraw/zinc/13/38/00/175133800.db2.gz JVDCYORLGWQHHV-LBPRGKRZSA-N 1 0 241.306 2.256 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])[C@H]1CCCO1 ZINC000034957123 175134103 /nfs/dbraw/zinc/13/41/03/175134103.db2.gz YFNJZZIQNWWDQN-NEPJUHHUSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc(F)cc1[C@H](O)C[NH2+]C(C)(C)C ZINC000049830562 175134261 /nfs/dbraw/zinc/13/42/61/175134261.db2.gz NHPUFXUSROOMLK-LLVKDONJSA-N 1 0 241.306 2.256 10 0 BEAERO COc1ccc(NC[C@@H](C)CC[NH3+])cc1 ZINC000049814317 175151725 /nfs/dbraw/zinc/15/17/25/175151725.db2.gz SYDHYBVHCGZAQA-JTQLQIEISA-N 1 0 208.305 2.092 10 0 BEAERO COc1ccc(NC[C@H]2CCOC2)cc1C ZINC000049528359 175151741 /nfs/dbraw/zinc/15/17/41/175151741.db2.gz FBHUULDESRGZRQ-LLVKDONJSA-N 1 0 221.300 2.452 10 0 BEAERO COc1ccc(NCc2c[nH]cn2)cc1C ZINC000054765227 175151789 /nfs/dbraw/zinc/15/17/89/175151789.db2.gz IYYZTHFAHJWZLE-UHFFFAOYSA-N 1 0 217.272 2.339 10 0 BEAERO COc1ccc(N[C@@H](C[NH3+])c2cccnc2)cc1 ZINC000057534195 175154359 /nfs/dbraw/zinc/15/43/59/175154359.db2.gz BHCGEVGCPAGAHE-AWEZNQCLSA-N 1 0 243.310 2.202 10 0 BEAERO COc1ccc(Nc2cc(N)cc[nH+]2)c(OC)c1 ZINC000043568543 175156267 /nfs/dbraw/zinc/15/62/67/175156267.db2.gz MUQKLEIEVXITHW-UHFFFAOYSA-N 1 0 245.282 2.425 10 0 BEAERO COc1ccc(OC)c(C[C@H]([NH3+])C(C)C)c1 ZINC000071424739 175166121 /nfs/dbraw/zinc/16/61/21/175166121.db2.gz FMGKSYJWNFDZQX-LBPRGKRZSA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc(OC)c(SCCC[NH3+])c1 ZINC000019686383 175167394 /nfs/dbraw/zinc/16/73/94/175167394.db2.gz QCNVYPBLOWAIQH-UHFFFAOYSA-N 1 0 227.329 2.145 10 0 BEAERO COc1ccc(OC)c([C@@H]2[NH2+]CC[C@@H]2C)c1 ZINC000003733906 175167867 /nfs/dbraw/zinc/16/78/67/175167867.db2.gz XGLJFGWSMCJVIW-TVQRCGJNSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(OC)c([C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000055235017 175167925 /nfs/dbraw/zinc/16/79/25/175167925.db2.gz MBADPFHDANYCQP-JQWIXIFHSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(OC)c([C@H]2CCC[C@H]2[NH3+])c1 ZINC000055235029 175168883 /nfs/dbraw/zinc/16/88/83/175168883.db2.gz MBADPFHDANYCQP-ZYHUDNBSSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(OCC(F)F)c(C[C@H](C)[NH3+])c1 ZINC000037756414 175171732 /nfs/dbraw/zinc/17/17/32/175171732.db2.gz DOMKAMOTHWELAT-QMMMGPOBSA-N 1 0 245.269 2.229 10 0 BEAERO COc1ccc(SCCC[NH3+])c(OC)c1 ZINC000019686381 175174950 /nfs/dbraw/zinc/17/49/50/175174950.db2.gz NZKGCIYQZUBYNE-UHFFFAOYSA-N 1 0 227.329 2.145 10 0 BEAERO COc1ccc([C@@H](CCC[NH3+])OC)cc1F ZINC000049820805 175178511 /nfs/dbraw/zinc/17/85/11/175178511.db2.gz NSUPQFJLBVLBNY-LLVKDONJSA-N 1 0 227.279 2.261 10 0 BEAERO COc1ccc([C@@H]([NH3+])CN2CCCCC2)cc1 ZINC000019821422 175179791 /nfs/dbraw/zinc/17/97/91/175179791.db2.gz VYIWEJLHONGZLP-AWEZNQCLSA-N 1 0 234.343 2.181 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccncc2)c(C)c1 ZINC000019972441 175180235 /nfs/dbraw/zinc/18/02/35/175180235.db2.gz AMBHJKFLAHVWGF-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccccn2)cc1OC ZINC000011737317 175180257 /nfs/dbraw/zinc/18/02/57/175180257.db2.gz LZQHYXPVNAAMKX-CQSZACIVSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000032014578 175180614 /nfs/dbraw/zinc/18/06/14/175180614.db2.gz VXBDIWQHPBMEQF-LBPRGKRZSA-N 1 0 223.316 2.117 10 0 BEAERO COc1ccc([C@@H](O)CC[NH2+]C(C)C)cc1 ZINC000049819425 175181027 /nfs/dbraw/zinc/18/10/27/175181027.db2.gz WGJUKLALMNBNQU-ZDUSSCGKSA-N 1 0 223.316 2.117 10 0 BEAERO COc1ccc([C@@H](SC)[C@@H](C)[NH3+])cc1 ZINC000042965175 175181922 /nfs/dbraw/zinc/18/19/22/175181922.db2.gz OVYVVKMVSLAQCH-KCJUWKMLSA-N 1 0 211.330 2.447 10 0 BEAERO COc1ccc([C@@H]2CCC[C@H]2[NH3+])cc1OC ZINC000055231095 175182597 /nfs/dbraw/zinc/18/25/97/175182597.db2.gz XJBZHAPXQHQLRB-WDEREUQCSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000055265147 175182617 /nfs/dbraw/zinc/18/26/17/175182617.db2.gz FMDFDURZUMEMHS-GXSJLCMTSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+]CCS2)cc1 ZINC000013901301 175183068 /nfs/dbraw/zinc/18/30/68/175183068.db2.gz UBHBSZQMYZYOFC-LBPRGKRZSA-N 1 0 223.341 2.463 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+][C@H]2C)cc1OC ZINC000051954012 175183534 /nfs/dbraw/zinc/18/35/34/175183534.db2.gz DNADNFBLEFNPMS-GXSJLCMTSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H](C)CC[NH3+])c(OC)c1 ZINC000041218663 175187084 /nfs/dbraw/zinc/18/70/84/175187084.db2.gz BHEQLAALCBBFCW-SECBINFHSA-N 1 0 209.289 2.156 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1O ZINC000289822277 175190157 /nfs/dbraw/zinc/19/01/57/175190157.db2.gz PXHSNUVYICEARC-QXEWZRGKSA-N 1 0 221.300 2.460 10 0 BEAERO COc1ccc([C@H](CO)[NH2+]C(C)C)cc1Cl ZINC000071558205 175191112 /nfs/dbraw/zinc/19/11/12/175191112.db2.gz QETGMHLLALDJBK-NSHDSACASA-N 1 0 243.734 2.380 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H](C)n2ccnc2C)cc1 ZINC000023068844 175191795 /nfs/dbraw/zinc/19/17/95/175191795.db2.gz JMMOPHZCIRCFCH-QMTHXVAHSA-N 1 0 245.326 2.461 10 0 BEAERO COc1ccc([C@H]([NH3+])Cc2cccnc2)cc1 ZINC000053130780 175191855 /nfs/dbraw/zinc/19/18/55/175191855.db2.gz QCMMRHMPSWRWEQ-CQSZACIVSA-N 1 0 228.295 2.333 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCOC2)c(C)c1 ZINC000048622834 175192374 /nfs/dbraw/zinc/19/23/74/175192374.db2.gz PBKXZVKLTKRWBB-ZWNOBZJWSA-N 1 0 221.300 2.040 10 0 BEAERO COc1ccc([C@H]2CCC[C@@H]2[NH3+])c(OC)c1 ZINC000055233099 175194767 /nfs/dbraw/zinc/19/47/67/175194767.db2.gz YMBRJJRMUKALRH-PWSUYJOCSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@H]2CC[NH2+][C@@H]2C)c(OC)c1 ZINC000051954052 175195508 /nfs/dbraw/zinc/19/55/08/175195508.db2.gz ATWCALBGAYLRJS-KOLCDFICSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H]2CC[NH2+][C@H]2C)c(OC)c1 ZINC000051954054 175195837 /nfs/dbraw/zinc/19/58/37/175195837.db2.gz ATWCALBGAYLRJS-ONGXEEELSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1F ZINC000071511556 175196439 /nfs/dbraw/zinc/19/64/39/175196439.db2.gz VVPURDLJNKCTBG-WCBMZHEXSA-N 1 0 209.264 2.300 10 0 BEAERO COc1ccc([C@H]2C[NH2+][C@H](C)C2)cc1C ZINC000070586848 175197071 /nfs/dbraw/zinc/19/70/71/175197071.db2.gz KLYFLTKKNMFEEU-ZYHUDNBSSA-N 1 0 205.301 2.469 10 0 BEAERO COc1ccc([C@H]2[NH2+]CC[C@@H]2C)cc1OC ZINC000003733636 175199090 /nfs/dbraw/zinc/19/90/90/175199090.db2.gz CRCKHFKGXGLRSG-ZANVPECISA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@](C)(O)C[NH2+]C(C)(C)C)cc1 ZINC000033466191 175199821 /nfs/dbraw/zinc/19/98/21/175199821.db2.gz UWZJVRCVACSLIL-CQSZACIVSA-N 1 0 237.343 2.291 10 0 BEAERO COc1ccc([C@](C)(O)C[NH2+]CC(C)C)cc1 ZINC000033466189 175199822 /nfs/dbraw/zinc/19/98/22/175199822.db2.gz ICBWURXAJOXQDP-CQSZACIVSA-N 1 0 237.343 2.148 10 0 BEAERO COc1ccc([C@]2(C)C[C@H]2C[NH3+])cc1F ZINC000054587401 175200477 /nfs/dbraw/zinc/20/04/77/175200477.db2.gz ADANGWMSLZGLQQ-CABZTGNLSA-N 1 0 209.264 2.071 10 0 BEAERO COc1ccc2[nH]cc3c2c1C[C@@H]([NH+](C)C)C3 ZINC000029465191 175203019 /nfs/dbraw/zinc/20/30/19/175203019.db2.gz ZHSVGDFOQZTIEK-JTQLQIEISA-N 1 0 230.311 2.205 10 0 BEAERO COc1ccc2c(N)c3c([nH+]c2c1)CCC[C@H]3O ZINC000014946464 175204852 /nfs/dbraw/zinc/20/48/52/175204852.db2.gz OALAJFHZGANODE-GFCCVEGCSA-N 1 0 244.294 2.195 10 0 BEAERO COc1ccc2c(c1)CC[C@H](n1ccnc1)[C@H]2[NH3+] ZINC000019264106 175209709 /nfs/dbraw/zinc/20/97/09/175209709.db2.gz ZXNARMDEXQMJAQ-KBPBESRZSA-N 1 0 243.310 2.079 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH3+])CC1(CCC1)O2 ZINC000095616564 175214785 /nfs/dbraw/zinc/21/47/85/175214785.db2.gz CEYIVUSYTKCSHN-NSHDSACASA-N 1 0 219.284 2.400 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH3+])CC1(CCOCC1)O2 ZINC000075761556 175216574 /nfs/dbraw/zinc/21/65/74/175216574.db2.gz QFARJQXLHARJGQ-GFCCVEGCSA-N 1 0 249.310 2.027 10 0 BEAERO COc1ccc2ccccc2c1C1=[NH+]CCN1 ZINC000013806102 175225761 /nfs/dbraw/zinc/22/57/61/175225761.db2.gz FDYRLMVRTVRXTB-UHFFFAOYSA-N 1 0 226.279 2.198 10 0 BEAERO COc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000013586848 175226673 /nfs/dbraw/zinc/22/66/73/175226673.db2.gz VIEWFQAHIRFETA-UHFFFAOYSA-N 1 0 218.300 2.212 10 0 in-vivo BEAERO COc1ccc2oc(C[C@H]3CCC[NH2+]3)nc2c1 ZINC000083076520 175230701 /nfs/dbraw/zinc/23/07/01/175230701.db2.gz FSVDXVGYSVEDCA-SECBINFHSA-N 1 0 232.283 2.131 10 0 BEAERO COc1ccc2sc(CC[NH3+])cc2c1 ZINC000082941361 175232124 /nfs/dbraw/zinc/23/21/24/175232124.db2.gz RDFGHPGKXPQMAA-UHFFFAOYSA-N 1 0 207.298 2.411 10 0 BEAERO COc1cccc(-c2nc(CC[NH3+])cs2)c1 ZINC000011755517 175236272 /nfs/dbraw/zinc/23/62/72/175236272.db2.gz GNYGXYUSPDCWEN-UHFFFAOYSA-N 1 0 234.324 2.320 10 0 BEAERO COc1cccc(C(=O)C[NH2+]C(C)(C)C)c1 ZINC000033877729 175242915 /nfs/dbraw/zinc/24/29/15/175242915.db2.gz NPLBTGFMNPFAGQ-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO COc1cccc(C(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000071521300 175246881 /nfs/dbraw/zinc/24/68/81/175246881.db2.gz HWMBGNZYSJIYGT-GFCCVEGCSA-N 1 0 219.284 2.020 10 0 BEAERO COc1cccc(C(=O)c2ccc(C[NH3+])cc2)c1 ZINC000019779681 175247092 /nfs/dbraw/zinc/24/70/92/175247092.db2.gz ZKFJRNHEUIBDHI-UHFFFAOYSA-N 1 0 241.290 2.385 10 0 BEAERO COc1cccc(C(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000077328340 175247476 /nfs/dbraw/zinc/24/74/76/175247476.db2.gz NZEIXVJRHQTEFF-SECBINFHSA-N 1 0 219.284 2.018 10 0 BEAERO COc1cccc(C2(C[NH3+])CC(C)C2)c1 ZINC000070068644 175247960 /nfs/dbraw/zinc/24/79/60/175247960.db2.gz GEKKFYDYMMWLSS-UHFFFAOYSA-N 1 0 205.301 2.322 10 0 BEAERO COc1cccc(CCC[NH2+]C2CC2)c1 ZINC000041213769 175251388 /nfs/dbraw/zinc/25/13/88/175251388.db2.gz SVMHCPRYABUBOL-UHFFFAOYSA-N 1 0 205.301 2.380 10 0 BEAERO COc1cccc(CNc2cc[nH+]cc2N)c1 ZINC000038077943 175269041 /nfs/dbraw/zinc/26/90/41/175269041.db2.gz VKULMXZXCVQHOR-UHFFFAOYSA-N 1 0 229.283 2.285 10 0 BEAERO COc1cccc(CO[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000050503128 175269734 /nfs/dbraw/zinc/26/97/34/175269734.db2.gz FBJPCZPVVKYJBR-CHWSQXEVSA-N 1 0 221.300 2.092 10 0 BEAERO COc1cccc(C[C@@H]([NH3+])c2ccccn2)c1 ZINC000053816989 175271406 /nfs/dbraw/zinc/27/14/06/175271406.db2.gz HWKPDUSKRKSPGV-CYBMUJFWSA-N 1 0 228.295 2.333 10 0 BEAERO COc1cccc(C[C@H]([NH3+])Cc2cccnc2)c1 ZINC000060707422 175272503 /nfs/dbraw/zinc/27/25/03/175272503.db2.gz NEBDUYKDVPCCIQ-AWEZNQCLSA-N 1 0 242.322 2.203 10 0 BEAERO COc1cccc(N2CCC[NH2+]C[C@@H](C)C2)c1 ZINC000049665506 175275023 /nfs/dbraw/zinc/27/50/23/175275023.db2.gz SVWZQCJWDWWAAP-GFCCVEGCSA-N 1 0 234.343 2.131 10 0 BEAERO COc1cccc(N(C)c2ncc(C[NH3+])s2)c1 ZINC000054896948 175275367 /nfs/dbraw/zinc/27/53/67/175275367.db2.gz RNQFCDWQUIZWAV-UHFFFAOYSA-N 1 0 249.339 2.378 10 0 BEAERO COc1cccc(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000019428971 175277366 /nfs/dbraw/zinc/27/73/66/175277366.db2.gz GBECEXPNPZBRNT-GHMZBOCLSA-N 1 0 248.326 2.022 10 0 BEAERO COc1cccc(NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000054239994 175278847 /nfs/dbraw/zinc/27/88/47/175278847.db2.gz DGCHYIUQNDHUEG-GFCCVEGCSA-N 1 0 234.343 2.449 10 0 BEAERO COc1cccc(OC)c1C[NH2+][C@H]1C[C@H]1C ZINC000286721576 175281875 /nfs/dbraw/zinc/28/18/75/175281875.db2.gz XHNOHWXSXCKKSF-KOLCDFICSA-N 1 0 221.300 2.202 10 0 BEAERO COc1cccc(OC)c1C[NH2+][C@@H]1C[C@H]1C ZINC000286721582 175281899 /nfs/dbraw/zinc/28/18/99/175281899.db2.gz XHNOHWXSXCKKSF-MWLCHTKSSA-N 1 0 221.300 2.202 10 0 BEAERO COc1cccc(OC)c1OC[C@@H]([NH3+])C(C)C ZINC000041282108 175282923 /nfs/dbraw/zinc/28/29/23/175282923.db2.gz CCZZPQONZGCMLY-SNVBAGLBSA-N 1 0 239.315 2.066 10 0 BEAERO COc1cccc(OCc2ccc(C[NH3+])o2)c1 ZINC000041260448 175284215 /nfs/dbraw/zinc/28/42/15/175284215.db2.gz SHDPUKBJCMILPK-UHFFFAOYSA-N 1 0 233.267 2.326 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2ccncc2)c1F ZINC000075871361 175288575 /nfs/dbraw/zinc/28/85/75/175288575.db2.gz CMXVNIZPZLQLAY-ZDUSSCGKSA-N 1 0 232.258 2.277 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2cccnc2)c1 ZINC000037466380 175288579 /nfs/dbraw/zinc/28/85/79/175288579.db2.gz BTPPBEUHBACCTH-CYBMUJFWSA-N 1 0 214.268 2.138 10 0 BEAERO COc1cccc([C@@H]([NH3+])CN2CCC[C@H](C)C2)c1 ZINC000036879082 175288599 /nfs/dbraw/zinc/28/85/99/175288599.db2.gz SQAZYOGVJZGSHT-WFASDCNBSA-N 1 0 248.370 2.427 10 0 BEAERO COc1cccc([C@@H]([NH3+])CN2CCCCC2)c1 ZINC000019821398 175288838 /nfs/dbraw/zinc/28/88/38/175288838.db2.gz RFPXTMTXNWXLFQ-AWEZNQCLSA-N 1 0 234.343 2.181 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2ccc[nH]2)c1 ZINC000011848742 175289181 /nfs/dbraw/zinc/28/91/81/175289181.db2.gz DJDHUBHXLRFUJY-GFCCVEGCSA-N 1 0 202.257 2.071 10 0 BEAERO COc1cccc([C@@H]2[NH2+]CC[C@H]2C)c1OC ZINC000003733757 175290785 /nfs/dbraw/zinc/29/07/85/175290785.db2.gz AZTOPYQOSAALLA-BXKDBHETSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cccc([C@H](C[NH3+])OCC(F)(F)F)c1 ZINC000043029109 175294026 /nfs/dbraw/zinc/29/40/26/175294026.db2.gz IWSPRFXGWDRHJM-JTQLQIEISA-N 1 0 249.232 2.274 10 0 BEAERO COc1cccc([C@H]([NH3+])Cc2cncs2)c1 ZINC000082341733 175294254 /nfs/dbraw/zinc/29/42/54/175294254.db2.gz HAWCMXVBWYHBCV-GFCCVEGCSA-N 1 0 234.324 2.394 10 0 BEAERO COc1cccc([C@H](C[NH3+])n2nc(C)cc2C)c1 ZINC000043028793 175294460 /nfs/dbraw/zinc/29/44/60/175294460.db2.gz GSYHOQFQEHGKPY-AWEZNQCLSA-N 1 0 245.326 2.057 10 0 BEAERO COc1cccc([C@H]([NH3+])c2cccnc2)c1OC ZINC000041656117 175295315 /nfs/dbraw/zinc/29/53/15/175295315.db2.gz JMYADHFEQKSJJS-CYBMUJFWSA-N 1 0 244.294 2.147 10 0 BEAERO COc1cccc([C@H]2C[NH2+]CCN2C(C)C)c1 ZINC000077369929 175295874 /nfs/dbraw/zinc/29/58/74/175295874.db2.gz GHQQCXCGGHUEOY-CQSZACIVSA-N 1 0 234.343 2.050 10 0 BEAERO COc1cccc([C@H]([C@@H](C)[NH3+])n2ccnc2C)c1 ZINC000043028780 175296310 /nfs/dbraw/zinc/29/63/10/175296310.db2.gz ATYJWLYQLZZOIN-YGRLFVJLSA-N 1 0 245.326 2.137 10 0 BEAERO COc1cccc([C@H]2[NH2+]CC[C@@H]2C)c1OC ZINC000003733758 175296895 /nfs/dbraw/zinc/29/68/95/175296895.db2.gz AZTOPYQOSAALLA-CABZTGNLSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cccc2c1C[C@@H]1CCC[NH2+][C@H]1C2 ZINC000013781534 175303249 /nfs/dbraw/zinc/30/32/49/175303249.db2.gz XGPVZNWBBGCYKA-AAEUAGOBSA-N 1 0 217.312 2.162 10 0 BEAERO COc1cccc2c1[C@H]1CC[C@]([NH3+])(C1)C2 ZINC000027549211 175306129 /nfs/dbraw/zinc/30/61/29/175306129.db2.gz CJDASYDUZUAOHZ-GXFFZTMASA-N 1 0 203.285 2.216 10 0 BEAERO COc1ccccc1CC[NH2+]CC1CCOCC1 ZINC000155383156 175323231 /nfs/dbraw/zinc/32/32/31/175323231.db2.gz VCNWVOOQYRUDTK-UHFFFAOYSA-N 1 0 249.354 2.254 10 0 BEAERO COc1ccccc1C[N@H+](C)C[C@H]1CCCC1=O ZINC000053929410 175324963 /nfs/dbraw/zinc/32/49/63/175324963.db2.gz UKOXRJVYOBCAKO-GFCCVEGCSA-N 1 0 247.338 2.496 10 0 BEAERO COc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000152307491 175330357 /nfs/dbraw/zinc/33/03/57/175330357.db2.gz BQRYUQBQCZVWMN-UONOGXRCSA-N 1 0 249.354 2.336 10 0 BEAERO COc1ccccc1C[C@H]([NH3+])C1(C)CC1 ZINC000082379425 175333388 /nfs/dbraw/zinc/33/33/88/175333388.db2.gz RBWPTJZODKMYBD-LBPRGKRZSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccccc1Cc1nc(C[NH3+])cs1 ZINC000011850515 175334816 /nfs/dbraw/zinc/33/48/16/175334816.db2.gz PZKROMDFSOPVMP-UHFFFAOYSA-N 1 0 234.324 2.201 10 0 BEAERO COc1ccccc1Cn1nc(C)c(C[NH3+])c1C ZINC000043457544 175335316 /nfs/dbraw/zinc/33/53/16/175335316.db2.gz CTJFIAPKUDNHQY-UHFFFAOYSA-N 1 0 245.326 2.016 10 0 BEAERO COc1ccccc1N(C)CCC[NH2+]C1CC1 ZINC000049966990 175335855 /nfs/dbraw/zinc/33/58/55/175335855.db2.gz DHHVJQCRWUGSDG-UHFFFAOYSA-N 1 0 234.343 2.274 10 0 BEAERO COc1ccccc1N[C@H](C[NH3+])c1ccco1 ZINC000057520325 175338800 /nfs/dbraw/zinc/33/88/00/175338800.db2.gz NHKJPBCDHDJLFO-LLVKDONJSA-N 1 0 232.283 2.400 10 0 BEAERO COc1ccccc1OCc1occc1C[NH3+] ZINC000052675188 175341612 /nfs/dbraw/zinc/34/16/12/175341612.db2.gz NGEIQRJBTIITRJ-UHFFFAOYSA-N 1 0 233.267 2.326 10 0 BEAERO COc1ccccc1OCc1cccnc1C[NH3+] ZINC000061657274 175341736 /nfs/dbraw/zinc/34/17/36/175341736.db2.gz DXCHNWGTEQGTRO-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1ccccc1OC[C@H](C[NH3+])c1ccc[nH]1 ZINC000076631347 175341844 /nfs/dbraw/zinc/34/18/44/175341844.db2.gz XVYVZDXXCNBNMB-NSHDSACASA-N 1 0 246.310 2.145 10 0 BEAERO COc1ccccc1OC[C@H]([NH3+])C(C)(C)C ZINC000022566105 175341910 /nfs/dbraw/zinc/34/19/10/175341910.db2.gz VHHAUNBWOSHCPS-LBPRGKRZSA-N 1 0 223.316 2.447 10 0 BEAERO COc1ccccc1OCC[C@H]([NH3+])C(C)C ZINC000032014692 175342010 /nfs/dbraw/zinc/34/20/10/175342010.db2.gz CXVWTZXXGPHLPG-NSHDSACASA-N 1 0 223.316 2.447 10 0 BEAERO COc1ccccc1SC[C@@H]1CC[NH2+]C1 ZINC000051891081 175343352 /nfs/dbraw/zinc/34/33/52/175343352.db2.gz DUCFPHJOOYPXKA-SNVBAGLBSA-N 1 0 223.341 2.397 10 0 BEAERO COc1ccccc1[C@@H](CCC[NH3+])OC ZINC000049814581 175346438 /nfs/dbraw/zinc/34/64/38/175346438.db2.gz OJIGYLZRFPEZQA-GFCCVEGCSA-N 1 0 209.289 2.122 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])c1cncc(F)c1 ZINC000049576104 175347509 /nfs/dbraw/zinc/34/75/09/175347509.db2.gz GFYPKHVYGDHJNU-ZDUSSCGKSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccccc1[C@@](C)([NH3+])c1cccnc1 ZINC000037761491 175349972 /nfs/dbraw/zinc/34/99/72/175349972.db2.gz DUMCCFOZTZVFKN-AWEZNQCLSA-N 1 0 228.295 2.312 10 0 BEAERO COc1ccccc1[C@@](C)([NH3+])c1cncc(F)c1 ZINC000049576014 175350089 /nfs/dbraw/zinc/35/00/89/175350089.db2.gz UQXBTTQSESSPEF-AWEZNQCLSA-N 1 0 246.285 2.452 10 0 BEAERO COc1ccccc1[C@H](C)N1CCC[NH2+]CC1 ZINC000022100062 175350885 /nfs/dbraw/zinc/35/08/85/175350885.db2.gz UZANXFOKZHRDNK-LBPRGKRZSA-N 1 0 234.343 2.052 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+]Cc1cn[nH]c1 ZINC000038005886 175352325 /nfs/dbraw/zinc/35/23/25/175352325.db2.gz VOASWHRTFTVPRG-JTQLQIEISA-N 1 0 231.299 2.269 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000131734573 175352329 /nfs/dbraw/zinc/35/23/29/175352329.db2.gz QSFCUCNEKRQPNN-WOPDTQHZSA-N 1 0 237.343 2.363 10 0 BEAERO COc1ccccc1[C@H](N)C[N@H+](C)CC1CC1 ZINC000037925475 175353208 /nfs/dbraw/zinc/35/32/08/175353208.db2.gz MARDTPMCVSUXBR-CYBMUJFWSA-N 1 0 234.343 2.037 10 0 BEAERO COc1ccccc1[C@H](CCC[NH3+])OC ZINC000049814582 175353752 /nfs/dbraw/zinc/35/37/52/175353752.db2.gz OJIGYLZRFPEZQA-LBPRGKRZSA-N 1 0 209.289 2.122 10 0 BEAERO COc1ccsc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000127312942 175379403 /nfs/dbraw/zinc/37/94/03/175379403.db2.gz OMYYZLYQEOHJMW-BDAKNGLRSA-N 1 0 227.329 2.024 10 0 BEAERO COc1nc(-c2ccccc2)c(C[NH3+])s1 ZINC000045205523 175388778 /nfs/dbraw/zinc/38/87/78/175388778.db2.gz INSRMCIVOHDKKM-UHFFFAOYSA-N 1 0 220.297 2.277 10 0 BEAERO CSc1c[nH+]cc(OC2CC2)c1N(C)C ZINC000095733362 175586017 /nfs/dbraw/zinc/58/60/17/175586017.db2.gz HDQKWCFWRCIHOR-UHFFFAOYSA-N 1 0 224.329 2.411 10 0 BEAERO C[C@@H](CCC[NH3+])C(=O)Nc1cccc(F)c1 ZINC000076611660 175664774 /nfs/dbraw/zinc/66/47/74/175664774.db2.gz XTQYFBANULVQKD-VIFPVBQESA-N 1 0 224.279 2.139 10 0 BEAERO C[C@@H](CC[NH3+])Sc1ncnc2ccccc21 ZINC000041042989 175673233 /nfs/dbraw/zinc/67/32/33/175673233.db2.gz GGRFZXCRGMVDPD-VIFPVBQESA-N 1 0 233.340 2.459 10 0 BEAERO C[C@@H](C[NH3+])Cc1cncc2ccccc21 ZINC000082763141 175708903 /nfs/dbraw/zinc/70/89/03/175708903.db2.gz GNYLOMYWABGPQI-SNVBAGLBSA-N 1 0 200.285 2.372 10 0 BEAERO C[C@@H](C[NH3+])Sc1cc(F)ccc1F ZINC000043514719 175711560 /nfs/dbraw/zinc/71/15/60/175711560.db2.gz DUFFGMVQHDVZTK-LURJTMIESA-N 1 0 203.257 2.404 10 0 BEAERO C[C@@H](C[NH3+])Sc1ccc(F)cc1F ZINC000043514577 175711986 /nfs/dbraw/zinc/71/19/86/175711986.db2.gz RDIOBDJNSPAQAV-LURJTMIESA-N 1 0 203.257 2.404 10 0 BEAERO C[C@@H](C[NH3+])Sc1ncnc2ccccc21 ZINC000043514741 175713079 /nfs/dbraw/zinc/71/30/79/175713079.db2.gz CSCSGNPFQDXEKJ-QMMMGPOBSA-N 1 0 219.313 2.069 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C2CCCCC2)n1 ZINC000054158745 175713626 /nfs/dbraw/zinc/71/36/26/175713626.db2.gz TYCSMBLXSAVFNP-QMMMGPOBSA-N 1 0 209.293 2.180 10 0 BEAERO C[C@@H](Cc1ccco1)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000038092977 175775170 /nfs/dbraw/zinc/77/51/70/175775170.db2.gz BRLVDXHWLAVELG-UBHSHLNASA-N 1 0 237.343 2.494 10 0 BEAERO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000035272466 175781364 /nfs/dbraw/zinc/78/13/64/175781364.db2.gz VSCUXIOAOMOHNY-RWMBFGLXSA-N 1 0 221.348 2.440 10 0 BEAERO C[C@@H]([NH3+])Cn1c2ccccc2nc1C(F)(F)F ZINC000011849640 175808082 /nfs/dbraw/zinc/80/80/82/175808082.db2.gz KDHOEFNNJGWXBL-SSDOTTSWSA-N 1 0 243.232 2.402 10 0 BEAERO C[C@@H]([NH3+])Cc1csc(NC(C)(C)C)n1 ZINC000028509731 175808230 /nfs/dbraw/zinc/80/82/30/175808230.db2.gz AFIZUEHCHPRXOF-SSDOTTSWSA-N 1 0 213.350 2.243 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCOC(C)(C)C1 ZINC000042901620 175810768 /nfs/dbraw/zinc/81/07/68/175810768.db2.gz HZUILKRIJZJUOH-OCCSQVGLSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1CO)c1ccco1 ZINC000104328091 175812678 /nfs/dbraw/zinc/81/26/78/175812678.db2.gz UANBXAVNFYDAHM-YGRLFVJLSA-N 1 0 247.294 2.239 10 0 BEAERO C[C@@H]([NH3+])c1cccc(OCCCn2ccnc2)c1 ZINC000049327091 175818169 /nfs/dbraw/zinc/81/81/69/175818169.db2.gz VMHDLSQTXVPPCJ-GFCCVEGCSA-N 1 0 245.326 2.372 10 0 BEAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1cccs1 ZINC000037479494 175825281 /nfs/dbraw/zinc/82/52/81/175825281.db2.gz CBPGWBZBADTPNO-SECBINFHSA-N 1 0 238.356 2.197 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(O)cc1 ZINC000051991341 175913795 /nfs/dbraw/zinc/91/37/95/175913795.db2.gz LYBQMPYXCDCGID-HONMWMINSA-N 1 0 235.327 2.346 10 0 BEAERO C[C@@H](OC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000040430516 176001410 /nfs/dbraw/zinc/00/14/10/176001410.db2.gz AYPYSUHQDDSYHI-ZYHUDNBSSA-N 1 0 219.284 2.043 10 0 BEAERO C[C@@H](OC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095068469 176002426 /nfs/dbraw/zinc/00/24/26/176002426.db2.gz OSWAQNSASOFTKP-NEPJUHHUSA-N 1 0 220.316 2.301 10 0 BEAERO C[C@@H](OCC[NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000053554503 176002495 /nfs/dbraw/zinc/00/24/95/176002495.db2.gz ALCWMBVVILXQHD-ZIAGYGMSSA-N 1 0 249.354 2.390 10 0 BEAERO C[C@@H](OCCC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068643 176002700 /nfs/dbraw/zinc/00/27/00/176002700.db2.gz NPBBNFWQRANISR-CHWSQXEVSA-N 1 0 249.358 2.477 10 0 BEAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)n1cccn1 ZINC000023069468 176010959 /nfs/dbraw/zinc/01/09/59/176010959.db2.gz QXCGMKHNKONLCC-CMPLNLGQSA-N 1 0 201.273 2.144 10 0 BEAERO C[C@@H]([NH2+]C1CCCC1)[C@H](C)n1cccn1 ZINC000069371938 176011207 /nfs/dbraw/zinc/01/12/07/176011207.db2.gz VEAAPXSUIQCRAR-MNOVXSKESA-N 1 0 207.321 2.365 10 0 BEAERO C[C@@H](c1cc(F)ccc1F)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309152 176012599 /nfs/dbraw/zinc/01/25/99/176012599.db2.gz UQFZQMLUJIVBQT-GXSJLCMTSA-N 1 0 240.297 2.320 10 0 BEAERO C[C@@H](c1cccc(O)c1)N(C)CCC[NH+](C)C ZINC000168105017 176019123 /nfs/dbraw/zinc/01/91/23/176019123.db2.gz NHOPJOFSAYRHPZ-LBPRGKRZSA-N 1 0 236.359 2.337 10 0 BEAERO C[C@@H](c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925497 176022303 /nfs/dbraw/zinc/02/23/03/176022303.db2.gz QBTIMEJJLHPLGP-DZGCQCFKSA-N 1 0 248.370 2.010 10 0 BEAERO C[C@@H](c1ccccc1)[C@H]([NH2+]C1CCCC1)C(N)=O ZINC000041085351 176023289 /nfs/dbraw/zinc/02/32/89/176023289.db2.gz IUMKWPVWNIGIKT-FZMZJTMJSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@@H](c1ccco1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095068222 176031560 /nfs/dbraw/zinc/03/15/60/176031560.db2.gz GVTKPXADRRXCPK-NWDGAFQWSA-N 1 0 222.332 2.272 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@](O)(C[NH2+]C2CC2)C1 ZINC000055029015 176052815 /nfs/dbraw/zinc/05/28/15/176052815.db2.gz MDGBVRHMDOSVQN-MFKMUULPSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000336541206 176057863 /nfs/dbraw/zinc/05/78/63/176057863.db2.gz ZDJMHWUZRRWBBU-NEPJUHHUSA-N 1 0 209.333 2.430 10 0 BEAERO C[C@@H]1CCCCN1CC[NH2+]Cc1cccnc1 ZINC000053343419 176072361 /nfs/dbraw/zinc/07/23/61/176072361.db2.gz FYYQZBXWYTYPOK-CYBMUJFWSA-N 1 0 233.359 2.046 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(N)c1 ZINC000037272020 176074103 /nfs/dbraw/zinc/07/41/03/176074103.db2.gz OYJCWMFGTGQRPB-SNVBAGLBSA-N 1 0 220.316 2.349 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc(=O)cc1 ZINC000061628644 176080577 /nfs/dbraw/zinc/08/05/77/176080577.db2.gz PHLVIEFGIMXFPS-OCCSQVGLSA-N 1 0 234.343 2.017 10 0 BEAERO C[C@@H]1CCCC[C@@H]1OCc1cc(C[NH3+])no1 ZINC000052620766 176082288 /nfs/dbraw/zinc/08/22/88/176082288.db2.gz NWGNYMKUKYXGMQ-SKDRFNHKSA-N 1 0 224.304 2.229 10 0 BEAERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1nccn1C ZINC000042862413 176085674 /nfs/dbraw/zinc/08/56/74/176085674.db2.gz DUKNSLJYPYHOGU-NEPJUHHUSA-N 1 0 221.348 2.336 10 0 BEAERO C[C@@H]1CCCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000037623152 176086362 /nfs/dbraw/zinc/08/63/62/176086362.db2.gz IESZVLHJESFRLI-IKWCTNDRSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc(=O)cc1 ZINC000061628646 176088516 /nfs/dbraw/zinc/08/85/16/176088516.db2.gz PHLVIEFGIMXFPS-TZMCWYRMSA-N 1 0 234.343 2.017 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000216859482 176094265 /nfs/dbraw/zinc/09/42/65/176094265.db2.gz AACAJTULPLRYFA-FRRDWIJNSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000050565353 176094607 /nfs/dbraw/zinc/09/46/07/176094607.db2.gz IHSZQBSSNUDUQO-YRGRVCCFSA-N 1 0 246.354 2.333 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@@H]2COc3ccccc3[C@@H]2N)C1 ZINC000019389326 176103406 /nfs/dbraw/zinc/10/34/06/176103406.db2.gz HHOMQURPHKDTPM-KYOSRNDESA-N 1 0 246.354 2.179 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@@H](CN)c2cccs2)C1 ZINC000022213924 176103686 /nfs/dbraw/zinc/10/36/86/176103686.db2.gz CIMDKKWFQPJLLL-MNOVXSKESA-N 1 0 224.373 2.480 10 0 BEAERO C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1N)OCCO2 ZINC000037909967 176109228 /nfs/dbraw/zinc/10/92/28/176109228.db2.gz RRAACULEQBESMV-SNVBAGLBSA-N 1 0 248.326 2.024 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037910243 176110253 /nfs/dbraw/zinc/11/02/53/176110253.db2.gz FNCNCTBWXRXKDH-RISCZKNCSA-N 1 0 246.354 2.106 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NC1CCCCC1 ZINC000055091746 176120579 /nfs/dbraw/zinc/12/05/79/176120579.db2.gz LYIKEKOASWPGRR-RAIGVLPGSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCC[C@@H](c2nccc(C[NH3+])n2)C1 ZINC000054791065 176126307 /nfs/dbraw/zinc/12/63/07/176126307.db2.gz MJOUPGHWWBAVRX-NXEZZACHSA-N 1 0 205.305 2.229 10 0 BEAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NC1CCCCC1 ZINC000055091743 176140885 /nfs/dbraw/zinc/14/08/85/176140885.db2.gz LYIKEKOASWPGRR-KGYLQXTDSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000037256902 176141465 /nfs/dbraw/zinc/14/14/65/176141465.db2.gz KEEXOZRHQVFBBR-AGIUHOORSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@H](Oc2cc(C[NH3+])ccn2)C1 ZINC000034958117 176146336 /nfs/dbraw/zinc/14/63/36/176146336.db2.gz XZJVUWGPHXZAGW-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2ccc(O)cc2)C1 ZINC000053114925 176152057 /nfs/dbraw/zinc/15/20/57/176152057.db2.gz YMAZSEYGFCKMNC-DOMZBBRYSA-N 1 0 249.354 2.423 10 0 BEAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2ccco2)C1 ZINC000053115453 176152062 /nfs/dbraw/zinc/15/20/62/176152062.db2.gz FKIFQNVIQXVQSR-YPMHNXCESA-N 1 0 223.316 2.310 10 0 BEAERO C[C@@H]1CCC[C@](CO)([NH2+]C2CCCC2)C1 ZINC000038122670 176152153 /nfs/dbraw/zinc/15/21/53/176152153.db2.gz KHQDSOIZTXGAEF-YPMHNXCESA-N 1 0 211.349 2.460 10 0 BEAERO C[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)[C@H](C)C1 ZINC000051732784 176154836 /nfs/dbraw/zinc/15/48/36/176154836.db2.gz BMUYKBGGICEZCS-OKZRHMCRSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCN(C(=O)CC2CCCC2)[C@@H](C[NH3+])C1 ZINC000235319805 176154977 /nfs/dbraw/zinc/15/49/77/176154977.db2.gz JHKHXGSCHOZRNW-DGCLKSJQSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CC[N@H+](CCC2(O)CC2)CC1(C)C ZINC000336543493 176168300 /nfs/dbraw/zinc/16/83/00/176168300.db2.gz CYFHYGSDMJEPFQ-LLVKDONJSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1CC[N@H+](CCC2(O)CC2)CC12CCC2 ZINC000336328575 176168938 /nfs/dbraw/zinc/16/89/38/176168938.db2.gz VBHFFYGBGCCNJI-GFCCVEGCSA-N 1 0 223.360 2.414 10 0 BEAERO C[C@@H]1CCN(c2ncc(C[NH3+])cc2Cl)C1 ZINC000051397180 176182368 /nfs/dbraw/zinc/18/23/68/176182368.db2.gz MVBFAJDVVXYLCC-MRVPVSSYSA-N 1 0 225.723 2.040 10 0 BEAERO C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000104436950 176185361 /nfs/dbraw/zinc/18/53/61/176185361.db2.gz ADKURJMFOWIJOR-UTUOFQBUSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1nccc2occc21 ZINC000333074379 176185637 /nfs/dbraw/zinc/18/56/37/176185637.db2.gz DEKBSUJTVVGANV-KOLCDFICSA-N 1 0 231.299 2.238 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)NCCC2CCCC2)C[NH2+]1 ZINC000037741554 176195384 /nfs/dbraw/zinc/19/53/84/176195384.db2.gz OFFNZYGVDJTBIP-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@@]2(CC[N@H+](CC(C)(C)O)C2)C1 ZINC000336558305 176219113 /nfs/dbraw/zinc/21/91/13/176219113.db2.gz DMVMHFOWNXHLIN-DGCLKSJQSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2)C[NH2+]1 ZINC000019429178 176219841 /nfs/dbraw/zinc/21/98/41/176219841.db2.gz BWMPNZUCOZIJHZ-OCCSQVGLSA-N 1 0 246.354 2.033 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](N(C)Cc2ccncc2)C1 ZINC000036775984 176229412 /nfs/dbraw/zinc/22/94/12/176229412.db2.gz FINJLFZPDXWFPH-KWCYVHTRSA-N 1 0 233.359 2.029 10 0 BEAERO C[C@@H]1CCc2c1cc(F)cc2OC1C[NH2+]C1 ZINC000039110383 176239531 /nfs/dbraw/zinc/23/95/31/176239531.db2.gz XWJBNFNGCQNNJL-MRVPVSSYSA-N 1 0 221.275 2.226 10 0 BEAERO C[C@H](C[NH3+])c1nc2c(s1)C[C@H](C)CC2 ZINC000011883550 176240091 /nfs/dbraw/zinc/24/00/91/176240091.db2.gz RDSNCAZREJSWBF-HTQZYQBOSA-N 1 0 210.346 2.330 10 0 BEAERO C[C@@H]1CCc2cccc(OCC[NH+](C)C)c2N1 ZINC000019965360 176240404 /nfs/dbraw/zinc/24/04/04/176240404.db2.gz RUKBCJLFYDQIQG-LLVKDONJSA-N 1 0 234.343 2.374 10 0 BEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000358091776 176274974 /nfs/dbraw/zinc/27/49/74/176274974.db2.gz VWIROWHZCDCPTK-BNOWGMLFSA-N 1 0 246.354 2.050 10 0 BEAERO C[C@@H]1CN(C2(C[NH3+])CCCCCC2)[C@H](C)CO1 ZINC000035783558 176280279 /nfs/dbraw/zinc/28/02/79/176280279.db2.gz WCTJIZGYDDJKOW-CHWSQXEVSA-N 1 0 240.391 2.147 10 0 BEAERO C[C@@H]1CN(C[C@H]([NH3+])c2ccccc2)CC(C)(C)O1 ZINC000045685362 176299624 /nfs/dbraw/zinc/29/96/24/176299624.db2.gz JWXXAIBTBUPTOL-OCCSQVGLSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@@H]1CN(c2cccc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000124743050 176319820 /nfs/dbraw/zinc/31/98/20/176319820.db2.gz DQPSOZWLQVUASS-ZJUUUORDSA-N 1 0 239.750 2.121 10 0 BEAERO C[C@@H]1CN(c2nccc3occc32)C[C@@]1(C)C[NH3+] ZINC000311114759 176320462 /nfs/dbraw/zinc/32/04/62/176320462.db2.gz FYWOZCCYLNTBDO-QMTHXVAHSA-N 1 0 245.326 2.249 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@@H](C)S1)c1ccncc1 ZINC000035694050 176324282 /nfs/dbraw/zinc/32/42/82/176324282.db2.gz XGTFXGOXGXSQPR-RKDXNWHRSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1CCc1cccs1 ZINC000041280758 176324922 /nfs/dbraw/zinc/32/49/22/176324922.db2.gz FBRHPOILMJUJMK-LLVKDONJSA-N 1 0 238.400 2.363 10 0 BEAERO C[C@@H]1C[NH2+]CCN(c2ccc(F)c(F)c2F)C1 ZINC000049661071 176326175 /nfs/dbraw/zinc/32/61/75/176326175.db2.gz ZZXRLXSVOSKJTA-MRVPVSSYSA-N 1 0 244.260 2.150 10 0 BEAERO C[C@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)(C)C ZINC000094345041 176327682 /nfs/dbraw/zinc/32/76/82/176327682.db2.gz LNGURUDCQJUIMV-IJLUTSLNSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](c2ccc(F)c(F)c2)O1 ZINC000036673240 176329842 /nfs/dbraw/zinc/32/98/42/176329842.db2.gz FMLIRMVDZSOXDW-RDDDGLTNSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](c2ccc3c(c2)OCO3)C1 ZINC000003704359 176330542 /nfs/dbraw/zinc/33/05/42/176330542.db2.gz VYZZRBCMRUYOJJ-WCBMZHEXSA-N 1 0 205.257 2.086 10 0 BEAERO C[C@H](Cc1ccco1)NC1=[NH+][C@H](C)CS1 ZINC000042592124 176348966 /nfs/dbraw/zinc/34/89/66/176348966.db2.gz QFDFBZMYMHQPFV-RKDXNWHRSA-N 1 0 224.329 2.292 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](CCCC(N)=S)C1 ZINC000019442273 176360556 /nfs/dbraw/zinc/36/05/56/176360556.db2.gz QQNXLOYDXILVCJ-NXEZZACHSA-N 1 0 214.378 2.031 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccoc2CN)C1 ZINC000052420666 176362030 /nfs/dbraw/zinc/36/20/30/176362030.db2.gz KQUWQTLHPQKKMX-GHMZBOCLSA-N 1 0 222.332 2.216 10 0 BEAERO C[C@@H]1C[C@@H]1CN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000104416661 176391909 /nfs/dbraw/zinc/39/19/09/176391909.db2.gz AIIJLIARUHMICC-ZYHUDNBSSA-N 1 0 247.342 2.265 10 0 BEAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)N(C)C ZINC000218320322 176424781 /nfs/dbraw/zinc/42/47/81/176424781.db2.gz BIWNYDKDKDHDPT-UTUOFQBUSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1Cc2ccccc2N1[C@@H]1CC[C@H]([NH3+])C1 ZINC000071519880 176452511 /nfs/dbraw/zinc/45/25/11/176452511.db2.gz WNBLEHZIRIXJHL-KGYLQXTDSA-N 1 0 216.328 2.317 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1c1nc(C(C)(C)C)no1 ZINC000335456193 176459161 /nfs/dbraw/zinc/45/91/61/176459161.db2.gz JPCHNWMYTUMBDN-IUCAKERBSA-N 1 0 223.320 2.223 10 0 BEAERO C[C@@H]1Oc2c(cc(Br)cc2F)[C@@H]1[NH3+] ZINC000043634308 176485695 /nfs/dbraw/zinc/48/56/95/176485695.db2.gz CJFMUEWOSUPUCM-RNHFCUEFSA-N 1 0 246.079 2.369 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCCO1 ZINC000383509757 487634110 /nfs/dbraw/zinc/63/41/10/487634110.db2.gz KYCLHGKQHXOKRV-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H](C[NH3+])COc1ccc(F)cc1Cl ZINC000037902149 176658831 /nfs/dbraw/zinc/65/88/31/176658831.db2.gz ICXCTJMWPOYANS-SSDOTTSWSA-N 1 0 217.671 2.453 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC000135285768 176713091 /nfs/dbraw/zinc/71/30/91/176713091.db2.gz FULDWSFHBXENKB-NEPJUHHUSA-N 1 0 233.355 2.282 10 0 BEAERO C[C@H]([NH3+])CN(C)c1ccc(F)c(Cl)c1 ZINC000020239554 176760971 /nfs/dbraw/zinc/76/09/71/176760971.db2.gz CNDNYXILJHUHJG-ZETCQYMHSA-N 1 0 216.687 2.263 10 0 BEAERO C[C@H]([NH3+])C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000096894302 176761133 /nfs/dbraw/zinc/76/11/33/176761133.db2.gz CZFRWVSGOHJHGD-WDEREUQCSA-N 1 0 242.363 2.371 10 0 BEAERO C[C@H]([NH3+])[C@H](O)c1csc2ccccc12 ZINC000054462702 176771125 /nfs/dbraw/zinc/77/11/25/176771125.db2.gz IVSAJQVGDHYKQU-CPCISQLKSA-N 1 0 207.298 2.282 10 0 BEAERO C[C@H]([NH3+])c1ccc(F)c(-c2cncnc2)c1 ZINC000082706508 176776165 /nfs/dbraw/zinc/77/61/65/176776165.db2.gz KYKUEXINKBPRTJ-QMMMGPOBSA-N 1 0 217.247 2.302 10 0 BEAERO C[C@H]([NH3+])c1cnn(Cc2ccc(F)cc2)c1 ZINC000054716871 176778751 /nfs/dbraw/zinc/77/87/51/176778751.db2.gz DBILFUQGZMSTIW-VIFPVBQESA-N 1 0 219.263 2.090 10 0 BEAERO C[C@H]([NH3+])c1nc(C(=O)OC(C)(C)C)cs1 ZINC000075845128 176779124 /nfs/dbraw/zinc/77/91/24/176779124.db2.gz BNNPZALWIXJUJT-LURJTMIESA-N 1 0 228.317 2.118 10 0 BEAERO C[C@H]([NH2+]CCc1ccsc1)c1cnn(C)c1 ZINC000044500428 176854996 /nfs/dbraw/zinc/85/49/96/176854996.db2.gz JGUCTSUNAPYMSE-JTQLQIEISA-N 1 0 235.356 2.375 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)[C@H]1CCCOC1 ZINC000348686110 176894434 /nfs/dbraw/zinc/89/44/34/176894434.db2.gz RMMNEDIDYWSPSV-IGQOVBAYSA-N 1 0 241.375 2.085 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000134172523 176911462 /nfs/dbraw/zinc/91/14/62/176911462.db2.gz YABKHABTKUMMPW-AXFHLTTASA-N 1 0 225.307 2.493 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@H]1CCCO1 ZINC000248526387 176913835 /nfs/dbraw/zinc/91/38/35/176913835.db2.gz FIHOEBROSDWAIR-HOSYDEDBSA-N 1 0 209.289 2.498 10 0 BEAERO C[C@H](OC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095068470 177020992 /nfs/dbraw/zinc/02/09/92/177020992.db2.gz OSWAQNSASOFTKP-NWDGAFQWSA-N 1 0 220.316 2.301 10 0 BEAERO C[C@H](OC[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068458 177021060 /nfs/dbraw/zinc/02/10/60/177021060.db2.gz VQHGLWLKGRGKBI-WDEREUQCSA-N 1 0 208.305 2.234 10 0 BEAERO C[C@H](OCC1CC[NH2+]CC1)c1nccs1 ZINC000095068562 177021146 /nfs/dbraw/zinc/02/11/46/177021146.db2.gz MUBQINSENKNZMZ-VIFPVBQESA-N 1 0 226.345 2.220 10 0 BEAERO C[C@H](OCc1cc(C[NH3+])no1)c1ccccc1 ZINC000052624136 177021740 /nfs/dbraw/zinc/02/17/40/177021740.db2.gz MEJSYEZGMFDSQO-JTQLQIEISA-N 1 0 232.283 2.411 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)Oc1cccc2cccnc21 ZINC000041054125 177024014 /nfs/dbraw/zinc/02/40/14/177024014.db2.gz GXTMFRPKOFPKLW-ZJUUUORDSA-N 1 0 216.284 2.349 10 0 BEAERO C[C@H](Oc1nccnc1C[NH3+])c1ccccc1 ZINC000054378536 177025546 /nfs/dbraw/zinc/02/55/46/177025546.db2.gz JQVSNWKOENDOGE-JTQLQIEISA-N 1 0 229.283 2.075 10 0 BEAERO C[C@H](c1ccccc1)[C@H](CN)[NH+]1CCCC1 ZINC000040216772 177040917 /nfs/dbraw/zinc/04/09/17/177040917.db2.gz FBKDBTRGXLWNHD-OCCSQVGLSA-N 1 0 218.344 2.213 10 0 BEAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(c2cnn(C)c2)C1 ZINC000043461906 177063868 /nfs/dbraw/zinc/06/38/68/177063868.db2.gz FXAWBLPSAMJFAO-GWCFXTLKSA-N 1 0 221.348 2.420 10 0 BEAERO C[C@H]1CC2(CCC2)C[N@@H+]1CCC1(O)CC1 ZINC000334877374 177068120 /nfs/dbraw/zinc/06/81/20/177068120.db2.gz JQUPQHNNLONRBN-NSHDSACASA-N 1 0 209.333 2.166 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(N)c1 ZINC000019775342 177073792 /nfs/dbraw/zinc/07/37/92/177073792.db2.gz FPBPFEWBJQOLJF-NSHDSACASA-N 1 0 247.342 2.082 10 0 BEAERO C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCCC1 ZINC000014193865 177074005 /nfs/dbraw/zinc/07/40/05/177074005.db2.gz KLJGBIIWKRZDBF-LBPRGKRZSA-N 1 0 238.375 2.310 10 0 BEAERO C[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(N)c1 ZINC000037272022 177078069 /nfs/dbraw/zinc/07/80/69/177078069.db2.gz OYJCWMFGTGQRPB-JTQLQIEISA-N 1 0 220.316 2.349 10 0 BEAERO C[C@H]1CCCC[C@@H]1C[NH2+]CCC(=O)NC1CC1 ZINC000054049774 177080057 /nfs/dbraw/zinc/08/00/57/177080057.db2.gz OPNGPKNTOSSWDM-NWDGAFQWSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCCC[C@@H]1N(C)c1ccc(C(N)=[NH2+])cn1 ZINC000042607908 177081948 /nfs/dbraw/zinc/08/19/48/177081948.db2.gz MPMGKKFOFBGWRX-JQWIXIFHSA-N 1 0 246.358 2.381 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000094646990 177081981 /nfs/dbraw/zinc/08/19/81/177081981.db2.gz YIQDARVVVKSFQO-LOWDOPEQSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CCCC[C@@H]1OC(=O)C1CC[NH2+]CC1 ZINC000048633334 177083641 /nfs/dbraw/zinc/08/36/41/177083641.db2.gz AHZCBMROQPFSMA-JQWIXIFHSA-N 1 0 225.332 2.108 10 0 BEAERO C[C@H]1CCCC[C@@]1([NH3+])C(=O)OC1CCCC1 ZINC000041038379 177085215 /nfs/dbraw/zinc/08/52/15/177085215.db2.gz VULPFLCAHVPPSV-GWCFXTLKSA-N 1 0 225.332 2.380 10 0 BEAERO C[C@H]1CCCC[C@@]1([NH3+])c1noc(C(F)(F)F)n1 ZINC000036765002 177085330 /nfs/dbraw/zinc/08/53/30/177085330.db2.gz RIATYVIFUOZEIP-RCOVLWMOSA-N 1 0 249.236 2.453 10 0 BEAERO C[C@H]1CCCC[C@]1(CO)[NH2+]C1CCCC1 ZINC000038122661 177090086 /nfs/dbraw/zinc/09/00/86/177090086.db2.gz MGGDDVPKBSJHFY-WCQYABFASA-N 1 0 211.349 2.460 10 0 BEAERO C[C@H]1CCCC[C@H]1Oc1cc(C[NH3+])ccn1 ZINC000019398770 177090791 /nfs/dbraw/zinc/09/07/91/177090791.db2.gz JVKIQMWYPRUHMY-CMPLNLGQSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2N)CC1 ZINC000104360807 177100739 /nfs/dbraw/zinc/10/07/39/177100739.db2.gz LFSPDSJOFYFLTD-WFASDCNBSA-N 1 0 248.370 2.424 10 0 BEAERO C[C@H]1CCC[N@@H+]1Cc1nc2cc(N)ccc2[nH]1 ZINC000037909980 177110897 /nfs/dbraw/zinc/11/08/97/177110897.db2.gz UIRAMKWDYXREAV-VIFPVBQESA-N 1 0 230.315 2.129 10 0 BEAERO C[C@H]1CCCN1[C@@H](C[NH3+])c1c(F)cccc1F ZINC000037910456 177111477 /nfs/dbraw/zinc/11/14/77/177111477.db2.gz XAKQWEOZCBGUIV-CABZTGNLSA-N 1 0 240.297 2.449 10 0 BEAERO C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037910244 177111531 /nfs/dbraw/zinc/11/15/31/177111531.db2.gz FNCNCTBWXRXKDH-FZMZJTMJSA-N 1 0 246.354 2.106 10 0 BEAERO C[C@H]1CCC[NH2+][C@H]1C(=O)N1CCCCCCC1 ZINC000051792333 177112710 /nfs/dbraw/zinc/11/27/10/177112710.db2.gz HOYDSRBMNGWMGH-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000034651217 177112977 /nfs/dbraw/zinc/11/29/77/177112977.db2.gz YFGLFHHNUMDIQB-RVMXOQNASA-N 1 0 238.375 2.307 10 0 BEAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCC[NH+](C)C ZINC000019958265 177113792 /nfs/dbraw/zinc/11/37/92/177113792.db2.gz GGGJVALCHITYFW-FUNVUKJBSA-N 1 0 212.381 2.352 10 0 BEAERO C[C@@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCN(C)C1 ZINC000042543916 177114117 /nfs/dbraw/zinc/11/41/17/177114117.db2.gz BDIYREZRUORLSC-DAAZQVBGSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1csc(N)n1 ZINC000036732536 177117080 /nfs/dbraw/zinc/11/70/80/177117080.db2.gz KPFGMCHNMGXYOG-DTORHVGOSA-N 1 0 225.361 2.488 10 0 BEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309658060 177118244 /nfs/dbraw/zinc/11/82/44/177118244.db2.gz AKBCRRWKXKYXNV-QYVRYILPSA-N 1 0 223.360 2.293 10 0 BEAERO C[C@H]1[C@H]([NH2+]CC(=O)N(C)C2CC2)CCC[C@@H]1C ZINC000049304638 177123340 /nfs/dbraw/zinc/12/33/40/177123340.db2.gz PQSYFYHUKBZOJX-DMDPSCGWSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@H]1CCC[C@@H](Oc2cc(C[NH3+])ccn2)C1 ZINC000034958120 177123652 /nfs/dbraw/zinc/12/36/52/177123652.db2.gz XZJVUWGPHXZAGW-CMPLNLGQSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCC[C@@](CO)(Nc2cc[nH+]cc2)C1 ZINC000053110371 177127659 /nfs/dbraw/zinc/12/76/59/177127659.db2.gz SYVICCFXOABPEZ-WCQYABFASA-N 1 0 220.316 2.435 10 0 BEAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccc2c(c1)OCCO2 ZINC000077417489 177128459 /nfs/dbraw/zinc/12/84/59/177128459.db2.gz SZXGZEORLPMDJW-NHYWBVRUSA-N 1 0 247.338 2.474 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)N(C)Cc2ccccc2)[NH2+]1 ZINC000019479804 177128562 /nfs/dbraw/zinc/12/85/62/177128562.db2.gz ULIPTJZIMZIANI-GXTWGEPZSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)Nc2ccccc2)[NH2+]1 ZINC000019518966 177129297 /nfs/dbraw/zinc/12/92/97/177129297.db2.gz KCCYVMHRXKHSFG-CMPLNLGQSA-N 1 0 218.300 2.156 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000034651215 177129411 /nfs/dbraw/zinc/12/94/11/177129411.db2.gz YFGLFHHNUMDIQB-WUHRBBMRSA-N 1 0 238.375 2.307 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH+]1CCC(=O)CC1 ZINC000019436657 177134970 /nfs/dbraw/zinc/13/49/70/177134970.db2.gz PIMWGAJFYCFNOK-LOWVWBTDSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000037152250 177136264 /nfs/dbraw/zinc/13/62/64/177136264.db2.gz QJGTVVGNBKNUBF-WTIISPKJSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000019963324 177136815 /nfs/dbraw/zinc/13/68/15/177136815.db2.gz XCORLMDZPNHIQZ-RNJOBUHISA-N 1 0 211.349 2.437 10 0 BEAERO C[C@H]1CCC[C@H]1NC(=O)C1CCC(C[NH3+])CC1 ZINC000071211892 177140863 /nfs/dbraw/zinc/14/08/63/177140863.db2.gz MDQPAOLQAQAQOP-YWPUVAFDSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@H]1CCC[C@]([NH3+])(c2noc(C(F)(F)F)n2)C1 ZINC000036764990 177143884 /nfs/dbraw/zinc/14/38/84/177143884.db2.gz FSRANNAZECSADK-IMTBSYHQSA-N 1 0 249.236 2.453 10 0 BEAERO C[C@H]1CCC[C@](CO)(Nc2cc[nH+]cc2)C1 ZINC000053110377 177143925 /nfs/dbraw/zinc/14/39/25/177143925.db2.gz SYVICCFXOABPEZ-AAEUAGOBSA-N 1 0 220.316 2.435 10 0 BEAERO C[C@H]1CCN(CCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000224843086 177161350 /nfs/dbraw/zinc/16/13/50/177161350.db2.gz CVPLDBJXRUJHOR-UONOGXRCSA-N 1 0 248.370 2.125 10 0 BEAERO C[C@H]1CC[N@H+](CCc2ccccc2N)C1 ZINC000052918427 177161927 /nfs/dbraw/zinc/16/19/27/177161927.db2.gz RNGBBNLPWBXPBR-NSHDSACASA-N 1 0 204.317 2.153 10 0 BEAERO C[C@@H]1CCN(Cc2ccco2)CC[C@H](C)[NH2+]1 ZINC000049664334 177164438 /nfs/dbraw/zinc/16/44/38/177164438.db2.gz MYTLHYOZKAFUTN-TXEJJXNPSA-N 1 0 222.332 2.242 10 0 BEAERO C[C@H]1CC[N@H+](Cc2nc(N)ccc2Cl)C1 ZINC000061631514 177168156 /nfs/dbraw/zinc/16/81/56/177168156.db2.gz CZEDTKBVYSCNPO-QMMMGPOBSA-N 1 0 225.723 2.159 10 0 BEAERO C[C@@H](c1ccco1)N1CC[NH2+][C@@H](C)CC1 ZINC000049662008 177169718 /nfs/dbraw/zinc/16/97/18/177169718.db2.gz AMTVYXOWAUFFOP-QWRGUYRKSA-N 1 0 208.305 2.024 10 0 BEAERO C[C@H]1CCN(c2cccc(F)c2)CC[NH2+]1 ZINC000049660735 177171283 /nfs/dbraw/zinc/17/12/83/177171283.db2.gz USJFOHALQBIUHL-JTQLQIEISA-N 1 0 208.280 2.014 10 0 BEAERO C[C@H]1CCN(c2ncc(C[NH3+])cc2Cl)C1 ZINC000051397181 177171704 /nfs/dbraw/zinc/17/17/04/177171704.db2.gz MVBFAJDVVXYLCC-QMMMGPOBSA-N 1 0 225.723 2.040 10 0 BEAERO C[C@H]1CCN(c2ccccc2)CCC[NH2+]1 ZINC000049665044 177172275 /nfs/dbraw/zinc/17/22/75/177172275.db2.gz GVQOMRRHHPSWLP-LBPRGKRZSA-N 1 0 204.317 2.265 10 0 BEAERO C[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C[NH2+]1 ZINC000261508951 177192510 /nfs/dbraw/zinc/19/25/10/177192510.db2.gz YPDCQVQEFUIYNC-WCQYABFASA-N 1 0 248.326 2.053 10 0 BEAERO C[C@H]1CC[C@H](C(=O)Nc2cccc(F)c2)C[NH2+]1 ZINC000019488804 177197403 /nfs/dbraw/zinc/19/74/03/177197403.db2.gz KLHAKUSKSDAQPK-UWVGGRQHSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@H]1CN(C(=O)C2CCCCCCC2)C[C@H]1[NH3+] ZINC000235650303 177213716 /nfs/dbraw/zinc/21/37/16/177213716.db2.gz YCYWEYJIPLIHPE-WCQYABFASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CN(C/C=C/c2ccccc2)C[C@H](C)[NH2+]1 ZINC000070077841 177240510 /nfs/dbraw/zinc/24/05/10/177240510.db2.gz RCXVCXQAHXTTPX-HXUSNMGPSA-N 1 0 230.355 2.382 10 0 BEAERO C[C@H]1C[NH+](CCCc2cccc(N)c2)C[C@H](C)O1 ZINC000041138745 177250273 /nfs/dbraw/zinc/25/02/73/177250273.db2.gz YOQDZPGHDAUSDT-STQMWFEESA-N 1 0 248.370 2.311 10 0 BEAERO C[C@H]1CN(CCOc2ccccc2)C(C)(C)C[NH2+]1 ZINC000062623350 177252246 /nfs/dbraw/zinc/25/22/46/177252246.db2.gz LTCMVVJCSRPXOM-ZDUSSCGKSA-N 1 0 248.370 2.138 10 0 BEAERO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC000035787384 177263161 /nfs/dbraw/zinc/26/31/61/177263161.db2.gz NPESQTQTMNNHGD-NEPJUHHUSA-N 1 0 246.354 2.264 10 0 BEAERO C[C@H]1C[N@H+](Cc2cnn3ccccc23)CCS1 ZINC000179432358 177269958 /nfs/dbraw/zinc/26/99/58/177269958.db2.gz DCYUCUHLLSLKMH-NSHDSACASA-N 1 0 247.367 2.272 10 0 BEAERO C[C@@H]1CCC[C@@](C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000019430727 177276582 /nfs/dbraw/zinc/27/65/82/177276582.db2.gz STCRXWMGPHTPHX-YIYPIFLZSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1CN(c2cccc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000124743238 177277370 /nfs/dbraw/zinc/27/73/70/177277370.db2.gz DQPSOZWLQVUASS-UWVGGRQHSA-N 1 0 239.750 2.121 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(O)c1 ZINC000245958136 177280327 /nfs/dbraw/zinc/28/03/27/177280327.db2.gz UKDKJLAHJWLIGH-JSGCOSHPSA-N 1 0 246.354 2.061 10 0 BEAERO C[C@H]1C[NH2+]CCCN(c2ccc(F)cc2)C1 ZINC000049664419 177281154 /nfs/dbraw/zinc/28/11/54/177281154.db2.gz ALAMTLSJSQIUEA-NSHDSACASA-N 1 0 222.307 2.262 10 0 BEAERO C[C@H](NC1=[NH+]C[C@H](C)S1)c1ccncc1 ZINC000035694048 177281301 /nfs/dbraw/zinc/28/13/01/177281301.db2.gz XGTFXGOXGXSQPR-IUCAKERBSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1Cc1ccccc1 ZINC000041232095 177281547 /nfs/dbraw/zinc/28/15/47/177281547.db2.gz HGIAWTOSYTWSPU-LBPRGKRZSA-N 1 0 218.344 2.259 10 0 BEAERO C[C@H]1C[NH2+]CCCN(Cc2ccc(F)cc2)C1 ZINC000049665267 177282054 /nfs/dbraw/zinc/28/20/54/177282054.db2.gz IIVRWRNDPQRXJJ-LBPRGKRZSA-N 1 0 236.334 2.257 10 0 BEAERO C[C@H]1CNCC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1 ZINC000049660819 177282639 /nfs/dbraw/zinc/28/26/39/177282639.db2.gz LZAMYGBFPWPSPJ-AXQFOSQISA-N 1 0 248.414 2.497 10 0 BEAERO C[C@H]1CNCC[N@@H+](C2CCCCCC2)C1 ZINC000049661873 177282988 /nfs/dbraw/zinc/28/29/88/177282988.db2.gz CGPDYGZXPLLVNW-LBPRGKRZSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(Cl)cc2)O1 ZINC000032012625 177285232 /nfs/dbraw/zinc/28/52/32/177285232.db2.gz ZPPLDXZOMDZUSQ-KWQFWETISA-N 1 0 211.692 2.389 10 0 BEAERO C[C@@H]1CN(CCc2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000071547331 177286428 /nfs/dbraw/zinc/28/64/28/177286428.db2.gz AFEPKZORDMRVQD-NEPJUHHUSA-N 1 0 236.334 2.050 10 0 BEAERO C[C@H]1COC[C@@H](CCc2ccc(F)cc2)[NH2+]1 ZINC000071525013 177299171 /nfs/dbraw/zinc/29/91/71/177299171.db2.gz YEOPIIHSWQHSTP-GXFFZTMASA-N 1 0 223.291 2.135 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000037490636 177314387 /nfs/dbraw/zinc/31/43/87/177314387.db2.gz LVCAEQMGORRQRM-XQHKEYJVSA-N 1 0 211.349 2.268 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2ncc(C[NH3+])s2)C1 ZINC000054864073 177314890 /nfs/dbraw/zinc/31/48/90/177314890.db2.gz WPOFQDJSAAALOE-DTORHVGOSA-N 1 0 225.361 2.084 10 0 BEAERO C[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)CCC[NH2+]1 ZINC000096987008 177321004 /nfs/dbraw/zinc/32/10/04/177321004.db2.gz SIUFTHGFIOZWAI-MNOVXSKESA-N 1 0 242.363 2.384 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]Cc2nncn2C)CC(C)(C)C1 ZINC000037989081 177333600 /nfs/dbraw/zinc/33/36/00/177333600.db2.gz QWFGQBSMIVXVDS-WDEREUQCSA-N 1 0 236.363 2.120 10 0 BEAERO C[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000051732787 177354855 /nfs/dbraw/zinc/35/48/55/177354855.db2.gz BMUYKBGGICEZCS-IALDZJHCSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000062860902 177354979 /nfs/dbraw/zinc/35/49/79/177354979.db2.gz GVXVCAPYLPYXOL-MBNYWOFBSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336750957 177362695 /nfs/dbraw/zinc/36/26/95/177362695.db2.gz GCQJJHOHYDTQGA-LBELIVKGSA-N 1 0 211.349 2.436 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccn(C)c2)C[C@H](C)O1 ZINC000282106412 177363408 /nfs/dbraw/zinc/36/34/08/177363408.db2.gz DMGRASQIYPIPAB-DABQJJPHSA-N 1 0 236.359 2.318 10 0 BEAERO C[C@H]1C[C@H]1C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000134057341 177381972 /nfs/dbraw/zinc/38/19/72/177381972.db2.gz SXNSEWCPMHQJEH-RYUDHWBXSA-N 1 0 242.326 2.013 10 0 BEAERO C[C@H]1[NH2+][C@@H](C)Cc2cc3c(cc21)OCCO3 ZINC000071491309 177389014 /nfs/dbraw/zinc/38/90/14/177389014.db2.gz BBAOLLLRPHRPGK-DTWKUNHWSA-N 1 0 219.284 2.053 10 0 BEAERO C[C@](O)(CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000071536745 177447639 /nfs/dbraw/zinc/44/76/39/177447639.db2.gz XNIDQFBHSTXLJW-JTQLQIEISA-N 1 0 233.233 2.262 10 0 BEAERO C[C@]1(c2nc3ccccc3[nH]2)CCC[NH2+]1 ZINC000070617695 177481811 /nfs/dbraw/zinc/48/18/11/177481811.db2.gz DVKNLGQUXQCOHU-GFCCVEGCSA-N 1 0 201.273 2.162 10 0 BEAERO Cc1csc([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000400561885 226346298 /nfs/dbraw/zinc/34/62/98/226346298.db2.gz HYNXUHWOZDECCA-GARJFASQSA-N 1 0 239.388 2.100 10 0 BEAERO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000400619294 226348020 /nfs/dbraw/zinc/34/80/20/226348020.db2.gz JEAMNIWRQNKVPL-WOPDTQHZSA-N 1 0 222.332 2.379 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000401585442 226359997 /nfs/dbraw/zinc/35/99/97/226359997.db2.gz MQSUSITWOOHLEW-LRDDRELGSA-N 1 0 245.366 2.378 10 0 BEAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000402113119 226364706 /nfs/dbraw/zinc/36/47/06/226364706.db2.gz ANYSYVLXRYZUJU-JHJVBQTASA-N 1 0 209.333 2.188 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000228491034 487662016 /nfs/dbraw/zinc/66/20/16/487662016.db2.gz DTVCJQOYAAFIJF-XQHKEYJVSA-N 1 0 240.391 2.301 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000228491847 487662037 /nfs/dbraw/zinc/66/20/37/487662037.db2.gz CUTDUOHSPAIZPG-YNEHKIRRSA-N 1 0 238.375 2.151 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000054075690 487683406 /nfs/dbraw/zinc/68/34/06/487683406.db2.gz XNYPQQPPALMRJS-BDAKNGLRSA-N 1 0 240.734 2.125 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C)c(F)c1 ZINC000228597707 487685304 /nfs/dbraw/zinc/68/53/04/487685304.db2.gz RAQCCCVFACIBGL-QPUJVOFHSA-N 1 0 209.264 2.332 10 0 BEAERO CCN(CC[NH3+])c1ncc(Cl)cc1Cl ZINC000082591951 487686478 /nfs/dbraw/zinc/68/64/78/487686478.db2.gz JGQKYVYRLDJWAW-UHFFFAOYSA-N 1 0 234.130 2.173 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000398777980 262769640 /nfs/dbraw/zinc/76/96/40/262769640.db2.gz MLHYCJDYUJZGRE-KCQAQPDRSA-N 1 0 249.329 2.419 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000399148774 262777237 /nfs/dbraw/zinc/77/72/37/262777237.db2.gz DKFFCEOTLASWII-LLVKDONJSA-N 1 0 246.354 2.036 10 0 BEAERO CC[C@@H]([NH2+]C(COC)COC)[C@H]1CC1(C)C ZINC000397689477 262929448 /nfs/dbraw/zinc/92/94/48/262929448.db2.gz MSQXYHUDVUHUSL-VXGBXAGGSA-N 1 0 229.364 2.062 10 0 BEAERO CC[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226287211 487706544 /nfs/dbraw/zinc/70/65/44/487706544.db2.gz QSMGKFPVKLCZTR-JHJVBQTASA-N 1 0 211.349 2.412 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(F)c1 ZINC000054290250 487708671 /nfs/dbraw/zinc/70/86/71/487708671.db2.gz CSDGCIBRTUCXLG-JTQLQIEISA-N 1 0 236.290 2.154 10 0 BEAERO C[C@H](N(C)C(=O)C[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000054292054 487709155 /nfs/dbraw/zinc/70/91/55/487709155.db2.gz KVFKVVYTKREBSA-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO c1ccc2c(c1)ccnc2NC1CC[NH2+]CC1 ZINC000082765861 487727475 /nfs/dbraw/zinc/72/74/75/487727475.db2.gz UEOKVKFBJUFFPM-UHFFFAOYSA-N 1 0 227.311 2.399 10 0 BEAERO CCC1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000082772324 487731586 /nfs/dbraw/zinc/73/15/86/487731586.db2.gz APMWOCQVFCUPPO-UHFFFAOYSA-N 1 0 226.364 2.199 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000136473052 487736954 /nfs/dbraw/zinc/73/69/54/487736954.db2.gz AZZCHCGSEFWKJE-WZRBSPASSA-N 1 0 240.391 2.301 10 0 BEAERO Cc1cccc(N(C)C(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136448286 487737199 /nfs/dbraw/zinc/73/71/99/487737199.db2.gz PBVYALSHUGAHGN-CYBMUJFWSA-N 1 0 234.343 2.331 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000380774519 487744552 /nfs/dbraw/zinc/74/45/52/487744552.db2.gz ZSFGUHZPQBMSPA-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1CC[C@H](C)N(C(=O)C2CCC([NH3+])CC2)C1 ZINC000088705219 487746005 /nfs/dbraw/zinc/74/60/05/487746005.db2.gz JVONRQSVTBUSDC-ZSVAQUKISA-N 1 0 238.375 2.151 10 0 BEAERO CC1(C)CCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251153849 487749281 /nfs/dbraw/zinc/74/92/81/487749281.db2.gz LVDNQWWJTBWOCM-SRVKXCTJSA-N 1 0 238.375 2.056 10 0 BEAERO C1[C@@H]2C[C@@H](c3nc([C@H]4CCC[NH2+]4)no3)C[C@H]12 ZINC000251208501 487750266 /nfs/dbraw/zinc/75/02/66/487750266.db2.gz LBLXQAQYULCOCA-UTINFBMNSA-N 1 0 219.288 2.008 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(CC)c1ccccc1C ZINC000223761228 487793219 /nfs/dbraw/zinc/79/32/19/487793219.db2.gz ZVRJAZMJDWGXCQ-GFCCVEGCSA-N 1 0 234.343 2.475 10 0 BEAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000251896067 487805687 /nfs/dbraw/zinc/80/56/87/487805687.db2.gz SEGNOCDIAXZIAC-XQHKEYJVSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000251907180 487806710 /nfs/dbraw/zinc/80/67/10/487806710.db2.gz SZJWPXIVYJXRNT-NDBYEHHHSA-N 1 0 238.375 2.056 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089449824 487816794 /nfs/dbraw/zinc/81/67/94/487816794.db2.gz WKXVXDFUMWRWBJ-AAEUAGOBSA-N 1 0 232.327 2.309 10 0 BEAERO Cc1ccccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089449864 487816800 /nfs/dbraw/zinc/81/68/00/487816800.db2.gz XOQQDTXANQJAQK-NWDGAFQWSA-N 1 0 232.327 2.309 10 0 BEAERO Cc1ccccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089449866 487817158 /nfs/dbraw/zinc/81/71/58/487817158.db2.gz XOQQDTXANQJAQK-RYUDHWBXSA-N 1 0 232.327 2.309 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1CCCCCC1 ZINC000089450409 487817061 /nfs/dbraw/zinc/81/70/61/487817061.db2.gz AZAXQBCOSFIZCE-WCQYABFASA-N 1 0 238.375 2.200 10 0 BEAERO CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089449316 487818422 /nfs/dbraw/zinc/81/84/22/487818422.db2.gz QVAIMCSSYOEEHZ-KBPBESRZSA-N 1 0 246.354 2.020 10 0 BEAERO CCC1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457622 487819785 /nfs/dbraw/zinc/81/97/85/487819785.db2.gz KFMJYNQBEXIPEJ-OLZOCXBDSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000252210286 487822177 /nfs/dbraw/zinc/82/21/77/487822177.db2.gz WDVLVBWIXCFQLO-UPJWGTAASA-N 1 0 240.391 2.397 10 0 BEAERO CC1(C)CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462862 487823122 /nfs/dbraw/zinc/82/31/22/487823122.db2.gz XLEVZPGZEYZZMT-NEPJUHHUSA-N 1 0 238.375 2.010 10 0 BEAERO CC1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000089462719 487823196 /nfs/dbraw/zinc/82/31/96/487823196.db2.gz VUCGABPLIGIIGT-NWDGAFQWSA-N 1 0 238.375 2.058 10 0 BEAERO CC1(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000089461061 487823815 /nfs/dbraw/zinc/82/38/15/487823815.db2.gz YAQXSPAVLVXGTQ-NWDGAFQWSA-N 1 0 238.375 2.200 10 0 BEAERO CCC(CC)(CC)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089482216 487825950 /nfs/dbraw/zinc/82/59/50/487825950.db2.gz OVSLVDMZMYAWEV-RYUDHWBXSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+][C@]2(CCCSC2)OC1 ZINC000757152387 586429544 /nfs/dbraw/zinc/42/95/44/586429544.db2.gz RZXWORYEFQFPGW-CMPLNLGQSA-N 1 0 229.389 2.492 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2c1cccc2C ZINC000153951863 487843158 /nfs/dbraw/zinc/84/31/58/487843158.db2.gz QUYBRACNLQGEKC-IINYFYTJSA-N 1 0 246.354 2.258 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000253137677 487856504 /nfs/dbraw/zinc/85/65/04/487856504.db2.gz UMYBYNCJBHUBAL-SRVKXCTJSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@H]([NH3+])CCc1nc(-c2ccc(F)cc2)no1 ZINC000109502489 487871534 /nfs/dbraw/zinc/87/15/34/487871534.db2.gz XCEBMSCNAGXEQP-QMMMGPOBSA-N 1 0 235.262 2.156 10 0 BEAERO C[C@]([NH3+])(O)c1ccc(Cl)c(Cl)c1 ZINC000307426191 487878046 /nfs/dbraw/zinc/87/80/46/487878046.db2.gz XGPNVMWBYMRSEZ-QMMMGPOBSA-N 1 0 206.072 2.117 10 0 BEAERO C[C@H]([NH3+])c1cnn(CC2CCCCC2)c1 ZINC000054716899 487883153 /nfs/dbraw/zinc/88/31/53/487883153.db2.gz HCKGTNUPDXSAPK-JTQLQIEISA-N 1 0 207.321 2.483 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCCN[C@H]1C ZINC000666887470 487898280 /nfs/dbraw/zinc/89/82/80/487898280.db2.gz QWKBORHGOVMIBX-MDZLAQPJSA-N 1 0 210.365 2.295 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCc1cc(C)cc(C)c1 ZINC000083361186 487903940 /nfs/dbraw/zinc/90/39/40/487903940.db2.gz SZIBLJUJROCQMH-CYBMUJFWSA-N 1 0 234.343 2.047 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000133683903 487915677 /nfs/dbraw/zinc/91/56/77/487915677.db2.gz UBSNCFYBVADWRZ-RTXFEEFZSA-N 1 0 211.349 2.458 10 0 BEAERO CC1(C)CCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094327741 487917684 /nfs/dbraw/zinc/91/76/84/487917684.db2.gz LVDNQWWJTBWOCM-WOPDTQHZSA-N 1 0 238.375 2.056 10 0 BEAERO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCOC1 ZINC000381585276 487932281 /nfs/dbraw/zinc/93/22/81/487932281.db2.gz HIDFSLQGPFZIIU-FPMFFAJLSA-N 1 0 217.312 2.229 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000211764698 487939220 /nfs/dbraw/zinc/93/92/20/487939220.db2.gz XZLQBNJNCYYLHB-WCQYABFASA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000659339774 487941860 /nfs/dbraw/zinc/94/18/60/487941860.db2.gz LTJCHVCRPRIJET-MFKMUULPSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000569721617 323038781 /nfs/dbraw/zinc/03/87/81/323038781.db2.gz AJZGNCBQINCNOL-NWANDNLSSA-N 1 0 245.366 2.419 10 0 BEAERO [NH3+]C1(CNc2ncnc3c2CCC3)CCCCC1 ZINC000310807379 323084169 /nfs/dbraw/zinc/08/41/69/323084169.db2.gz YUYMHWRJGIHQAN-UHFFFAOYSA-N 1 0 246.358 2.039 10 0 BEAERO [NH3+]CC[C@@H](Nc1ccc(Cl)cn1)C(F)F ZINC000394829591 323085972 /nfs/dbraw/zinc/08/59/72/323085972.db2.gz ZAQZRRNIHQZLNE-SSDOTTSWSA-N 1 0 235.665 2.129 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307945257 323123843 /nfs/dbraw/zinc/12/38/43/323123843.db2.gz IDIRJHHZTUIQRW-VGMNWLOBSA-N 1 0 225.254 2.078 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000394860960 323151302 /nfs/dbraw/zinc/15/13/02/323151302.db2.gz PZLVQWBUWXHZBR-LPWJVIDDSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398881724 323194280 /nfs/dbraw/zinc/19/42/80/323194280.db2.gz XLRUAHGBHBDDQQ-AVGNSLFASA-N 1 0 211.349 2.125 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C2(C)C[NH2+]C2)c(C)c1 ZINC000399288450 323202700 /nfs/dbraw/zinc/20/27/00/323202700.db2.gz QUFHRRVGEQOMDD-GFCCVEGCSA-N 1 0 246.354 2.090 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000396695911 323654387 /nfs/dbraw/zinc/65/43/87/323654387.db2.gz MFKPINFBKJWIKF-CYZMBNFOSA-N 1 0 234.343 2.387 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCCc2occc21 ZINC000396695914 323654495 /nfs/dbraw/zinc/65/44/95/323654495.db2.gz MFKPINFBKJWIKF-WCFLWFBJSA-N 1 0 234.343 2.387 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCCc2occc21 ZINC000396695912 323654652 /nfs/dbraw/zinc/65/46/52/323654652.db2.gz MFKPINFBKJWIKF-DRZSPHRISA-N 1 0 234.343 2.387 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000214560298 323936563 /nfs/dbraw/zinc/93/65/63/323936563.db2.gz WMWMCVMQLYSUAN-RPFQZYLTSA-N 1 0 235.302 2.174 10 0 BEAERO CC[C@@H](C)c1nc2n(c1C[NH3+])CCCC2 ZINC000536956362 323967136 /nfs/dbraw/zinc/96/71/36/323967136.db2.gz ZYMYDYPXNOHBOB-SECBINFHSA-N 1 0 207.321 2.192 10 0 BEAERO Cc1ccc([C@H]2CC[C@@H](C[NH3+])OC2)cc1 ZINC000536958758 323970238 /nfs/dbraw/zinc/97/02/38/323970238.db2.gz UKUVAMIRLQHHIS-STQMWFEESA-N 1 0 205.301 2.216 10 0 BEAERO CC(C)c1nnc(C2C[C@@H](C)[NH2+][C@H](C)C2)o1 ZINC000536959624 323971929 /nfs/dbraw/zinc/97/19/29/323971929.db2.gz PENRLZBWWPIBOV-RKDXNWHRSA-N 1 0 223.320 2.437 10 0 BEAERO CCCC1(CNC(=O)[C@]2(C)CCC[NH2+]2)CCC1 ZINC000121151828 324003333 /nfs/dbraw/zinc/00/33/33/324003333.db2.gz YRNHWYJBITYDQK-ZDUSSCGKSA-N 1 0 238.375 2.215 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000516194406 324116899 /nfs/dbraw/zinc/11/68/99/324116899.db2.gz GNFRMHMKMITAGB-ZIAGYGMSSA-N 1 0 241.375 2.229 10 0 BEAERO CC(C)C(C)(C)NC(=O)C1CCC([NH3+])CC1 ZINC000083906905 487964056 /nfs/dbraw/zinc/96/40/56/487964056.db2.gz IABLCUNSDVCIFL-UHFFFAOYSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H]([NH2+]CCCn1ccnn1)c1cccc(F)c1 ZINC000125609036 324645461 /nfs/dbraw/zinc/64/54/61/324645461.db2.gz UASKYCODWBZGLO-LLVKDONJSA-N 1 0 248.305 2.158 10 0 BEAERO CCc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)s1 ZINC000125719142 324648629 /nfs/dbraw/zinc/64/86/29/324648629.db2.gz FENNBVZBVNRPNJ-VHSXEESVSA-N 1 0 227.373 2.417 10 0 BEAERO Cc1cccc(C)c1C[NH2+]CC1CC(O)C1 ZINC000126196859 324686427 /nfs/dbraw/zinc/68/64/27/324686427.db2.gz OTVNTNRTYNTZKO-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO CC[C@H]([NH2+]Cc1cccc(C)n1)c1cnn(C)c1 ZINC000127205103 324754140 /nfs/dbraw/zinc/75/41/40/324754140.db2.gz FLHXCKFXIDCLCN-AWEZNQCLSA-N 1 0 244.342 2.364 10 0 BEAERO CC[C@@H]([NH2+]Cc1cccc(C)n1)[C@H]1CCOC1 ZINC000127299171 324759256 /nfs/dbraw/zinc/75/92/56/324759256.db2.gz BYOYQVJYUBHVRH-GXTWGEPZSA-N 1 0 234.343 2.295 10 0 BEAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CC3=CCCCC3)C[C@H]12 ZINC000311051134 325125638 /nfs/dbraw/zinc/12/56/38/325125638.db2.gz GSLMATHKWAUADX-MELADBBJSA-N 1 0 248.370 2.073 10 0 BEAERO COC[C@@H](C)C[N@H+](C)Cc1ccccc1OC ZINC000131913905 325190564 /nfs/dbraw/zinc/19/05/64/325190564.db2.gz AVDDTIWTPLCUSF-LBPRGKRZSA-N 1 0 237.343 2.410 10 0 BEAERO CC(C)[C@H](C)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000134116183 325344378 /nfs/dbraw/zinc/34/43/78/325344378.db2.gz SQRZWHLZUREQIZ-UPJWGTAASA-N 1 0 224.392 2.493 10 0 BEAERO Cc1nnc(C[NH2+][C@@H](C)C2(C)CC2)s1 ZINC000134719355 325373325 /nfs/dbraw/zinc/37/33/25/325373325.db2.gz QWDVOCRGHWDJRO-ZETCQYMHSA-N 1 0 211.334 2.125 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+]CC1CC(O)C1 ZINC000091424961 325686748 /nfs/dbraw/zinc/68/67/48/325686748.db2.gz LXTKFXBHRTZISR-UNXYVOJBSA-N 1 0 235.327 2.117 10 0 BEAERO CCC[C@@H](C(=O)NCC1(C(C)C)CC1)[NH+](C)C ZINC000152871371 325808900 /nfs/dbraw/zinc/80/89/00/325808900.db2.gz OGFNEUADIIJIFF-LBPRGKRZSA-N 1 0 240.391 2.269 10 0 BEAERO COCC[C@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000155211839 326189314 /nfs/dbraw/zinc/18/93/14/326189314.db2.gz QHKZCZALWSINET-UONOGXRCSA-N 1 0 242.407 2.121 10 0 BEAERO CCc1ccc(CC)c(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000567626852 326231855 /nfs/dbraw/zinc/23/18/55/326231855.db2.gz ZAPJEQIGINZWKU-SNVBAGLBSA-N 1 0 234.343 2.358 10 0 BEAERO CCC[C@@H](C(=O)N1CCCC(C)(C)C1)[NH+](C)C ZINC000157173548 326259818 /nfs/dbraw/zinc/25/98/18/326259818.db2.gz ORQAWBOUYGDALZ-LBPRGKRZSA-N 1 0 240.391 2.365 10 0 BEAERO Cc1nc(N[C@@H](C)C[C@H](C)[NH3+])sc1C ZINC000165753995 326426370 /nfs/dbraw/zinc/42/63/70/326426370.db2.gz QESYMEOTKSQGJF-BQBZGAKWSA-N 1 0 213.350 2.298 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000135198396 488021117 /nfs/dbraw/zinc/02/11/17/488021117.db2.gz PSAUKEZZXHCKTG-OTTFEQOBSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)c1nsc(N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084212833 488037340 /nfs/dbraw/zinc/03/73/40/488037340.db2.gz DCTARCQCFGUFAV-RKDXNWHRSA-N 1 0 240.376 2.201 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc(O)c1 ZINC000037166048 488041469 /nfs/dbraw/zinc/04/14/69/488041469.db2.gz NLWIZLHGCCNTIV-SUHUHFCYSA-N 1 0 235.327 2.346 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc(O)c1 ZINC000037166050 488041485 /nfs/dbraw/zinc/04/14/85/488041485.db2.gz NLWIZLHGCCNTIV-JKOKRWQUSA-N 1 0 235.327 2.346 10 0 BEAERO CC(C)[C@@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000319544358 488058426 /nfs/dbraw/zinc/05/84/26/488058426.db2.gz NUZVFIBHNMKQTN-YPMHNXCESA-N 1 0 218.344 2.421 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CCC2 ZINC000136298589 488092847 /nfs/dbraw/zinc/09/28/47/488092847.db2.gz QMICLMJNGCMOGF-CQSZACIVSA-N 1 0 246.354 2.487 10 0 BEAERO Cc1ccc(F)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136308413 488094131 /nfs/dbraw/zinc/09/41/31/488094131.db2.gz LEIQMTFOWNHTLK-NSHDSACASA-N 1 0 238.306 2.446 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCc2ccccc21 ZINC000136316763 488094732 /nfs/dbraw/zinc/09/47/32/488094732.db2.gz VBGPXWGJCLUCSI-ZIAGYGMSSA-N 1 0 246.354 2.164 10 0 BEAERO CCC[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000389610904 488103134 /nfs/dbraw/zinc/10/31/34/488103134.db2.gz AZMYFQVIBPSVBG-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC(C)(C)CC1 ZINC000136475682 488104431 /nfs/dbraw/zinc/10/44/31/488104431.db2.gz JCINCFMKMNFGSQ-GFCCVEGCSA-N 1 0 240.391 2.399 10 0 BEAERO CCC1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000092956169 488104830 /nfs/dbraw/zinc/10/48/30/488104830.db2.gz VTKGCZHGDOQVPA-IKWCTNDRSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1ccc(O)c(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136488592 488105712 /nfs/dbraw/zinc/10/57/12/488105712.db2.gz JHYSUEVIMRQDAW-JTQLQIEISA-N 1 0 236.315 2.013 10 0 BEAERO CC(C)=CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000397654317 488129431 /nfs/dbraw/zinc/12/94/31/488129431.db2.gz GFSZBOYHTZVMON-CYBMUJFWSA-N 1 0 208.349 2.123 10 0 BEAERO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000310546993 488130352 /nfs/dbraw/zinc/13/03/52/488130352.db2.gz DZDVPBXOYMRARQ-JHJVBQTASA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000094647817 487548560 /nfs/dbraw/zinc/54/85/60/487548560.db2.gz SDTSKEUVSFDTED-SDDRHHMPSA-N 1 0 240.391 2.268 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094368929 487531090 /nfs/dbraw/zinc/53/10/90/487531090.db2.gz YKDKVOHHUACTJN-STQMWFEESA-N 1 0 239.359 2.247 10 0 BEAERO CC(C)C1([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000379426557 488134721 /nfs/dbraw/zinc/13/47/21/488134721.db2.gz DEKOZSGXECGICJ-VXGBXAGGSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)C1([NH2+]C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000379426535 488135369 /nfs/dbraw/zinc/13/53/69/488135369.db2.gz DEKOZSGXECGICJ-NEPJUHHUSA-N 1 0 211.349 2.316 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000393903284 487474819 /nfs/dbraw/zinc/47/48/19/487474819.db2.gz CKCBVRBLKUKZRD-CLPYTZEMSA-N 1 0 209.333 2.068 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1O ZINC000093655021 487482693 /nfs/dbraw/zinc/48/26/93/487482693.db2.gz HAWNNESDNFLGJC-MNOVXSKESA-N 1 0 248.326 2.014 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCCSC1 ZINC000061588885 487477110 /nfs/dbraw/zinc/47/71/10/487477110.db2.gz LFFCNXFVDXYEDH-MNOVXSKESA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)(CC[N@@H+]1CCC[C@H]1CN)C1CC1 ZINC000405950194 487497349 /nfs/dbraw/zinc/49/73/49/487497349.db2.gz FMLOEUAUYQGYBG-LBPRGKRZSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000227084480 487512867 /nfs/dbraw/zinc/51/28/67/487512867.db2.gz NQWJIYIPMWKROD-YRGRVCCFSA-N 1 0 238.375 2.166 10 0 BEAERO CC[N@H+](CC1CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000308816524 487522411 /nfs/dbraw/zinc/52/24/11/487522411.db2.gz BDVXXEKLWSBLIW-CHWSQXEVSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc(O)c1 ZINC000134056918 488164770 /nfs/dbraw/zinc/16/47/70/488164770.db2.gz MSNYANXPHBVKPX-OUJBWJOFSA-N 1 0 221.300 2.220 10 0 BEAERO CCOCC[NH2+]Cc1cccc2cnccc21 ZINC000061125173 487606419 /nfs/dbraw/zinc/60/64/19/487606419.db2.gz SJRKYXBMJBNOKS-UHFFFAOYSA-N 1 0 230.311 2.361 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249856119 487724801 /nfs/dbraw/zinc/72/48/01/487724801.db2.gz QOCCBWDZEBQEKT-CLLJXQQHSA-N 1 0 244.338 2.391 10 0 BEAERO CC(C)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089482564 487890519 /nfs/dbraw/zinc/89/05/19/487890519.db2.gz QOCGAGIEZKCYQP-AGIUHOORSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000136475999 488104829 /nfs/dbraw/zinc/10/48/29/488104829.db2.gz CUTDUOHSPAIZPG-UPJWGTAASA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)C1([NH2+]C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000379426537 488134858 /nfs/dbraw/zinc/13/48/58/488134858.db2.gz DEKOZSGXECGICJ-NWDGAFQWSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CSCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000379465432 488138431 /nfs/dbraw/zinc/13/84/31/488138431.db2.gz IBZZHZYMYQGSRB-XQQFMLRXSA-N 1 0 243.416 2.222 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@@H](C)CO1 ZINC000403857808 488140627 /nfs/dbraw/zinc/14/06/27/488140627.db2.gz VGJUOIJGDHQAMF-REWJHTLYSA-N 1 0 241.375 2.037 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc(O)c1 ZINC000134057322 488165372 /nfs/dbraw/zinc/16/53/72/488165372.db2.gz MSNYANXPHBVKPX-KWBADKCTSA-N 1 0 221.300 2.220 10 0 BEAERO CC[C@H]([NH2+]C1CCC(O)CC1)[C@H]1C[C@H]1C ZINC000322045769 488167432 /nfs/dbraw/zinc/16/74/32/488167432.db2.gz ORRRZJNVQLQWMW-ZMZXKLSGSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@@H]1C[NH+](C[C@@H]2CCC[C@H](O)C2)C[C@H]1C ZINC000380085512 488173563 /nfs/dbraw/zinc/17/35/63/488173563.db2.gz LNFIKCVJUDHDMQ-LPWJVIDDSA-N 1 0 211.349 2.125 10 0 BEAERO CC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000380095748 488174787 /nfs/dbraw/zinc/17/47/87/488174787.db2.gz OFXSKRQWWZARQP-UPJWGTAASA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccccc1C1CC1 ZINC000310252922 488184096 /nfs/dbraw/zinc/18/40/96/488184096.db2.gz DXUBXKTZFPIPTI-ABAIWWIYSA-N 1 0 230.355 2.486 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)CC1([NH3+])CC1 ZINC000398025719 488186945 /nfs/dbraw/zinc/18/69/45/488186945.db2.gz HCOYKXSTDRRVDE-NSHDSACASA-N 1 0 232.327 2.054 10 0 BEAERO CC[C@H](NC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000398040969 488191054 /nfs/dbraw/zinc/19/10/54/488191054.db2.gz QAYMYPXAJVVZNP-LBPRGKRZSA-N 1 0 232.327 2.135 10 0 BEAERO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CCO1 ZINC000231295118 488196411 /nfs/dbraw/zinc/19/64/11/488196411.db2.gz KLEBJHOBLZCKJJ-UPJWGTAASA-N 1 0 241.375 2.085 10 0 BEAERO Cc1ccc(CN(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000037169553 490120747 /nfs/dbraw/zinc/12/07/47/490120747.db2.gz WGALAILTMBYCPU-LLVKDONJSA-N 1 0 246.276 2.316 10 0 BEAERO CC(C)[NH2+]CCC(=O)NCCC1CCCC1 ZINC000037740140 490168613 /nfs/dbraw/zinc/16/86/13/490168613.db2.gz WGDKKANITDOHEP-UHFFFAOYSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1nn(C)cc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000235820318 490181706 /nfs/dbraw/zinc/18/17/06/490181706.db2.gz LFDAROREXICWTR-CQSZACIVSA-N 1 0 227.311 2.342 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000302614224 490204196 /nfs/dbraw/zinc/20/41/96/490204196.db2.gz YTBNXJAVMWTCRG-UPJWGTAASA-N 1 0 240.391 2.397 10 0 BEAERO C(C[N@@H+]1CCN2CCCC[C@H]2C1)C1CCC1 ZINC000252959408 490268792 /nfs/dbraw/zinc/26/87/92/490268792.db2.gz UDDXJPRKJYSQNZ-AWEZNQCLSA-N 1 0 222.376 2.347 10 0 BEAERO CC[C@@H]([NH2+]CCc1cncn1C)C(C)(C)C ZINC000336728982 490288176 /nfs/dbraw/zinc/28/81/76/490288176.db2.gz HJOWFEQXJHUJIJ-GFCCVEGCSA-N 1 0 223.364 2.377 10 0 BEAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ncc[nH]1 ZINC000124755301 490401643 /nfs/dbraw/zinc/40/16/43/490401643.db2.gz GSWWBRRLOOYXJR-DCAQKATOSA-N 1 0 223.320 2.018 10 0 BEAERO CC[C@]1(C)CCC[N@H+](Cc2cncnc2)C1 ZINC000127229864 490541671 /nfs/dbraw/zinc/54/16/71/490541671.db2.gz XSBTWDZYAJJIJC-CYBMUJFWSA-N 1 0 219.332 2.489 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000219095183 490553537 /nfs/dbraw/zinc/55/35/37/490553537.db2.gz JOIHNXMYBVBREQ-CMPLNLGQSA-N 1 0 235.331 2.005 10 0 BEAERO C[C@@H]1CC[C@H](C)[N@H+](Cc2cncnc2)C1 ZINC000127772336 490557738 /nfs/dbraw/zinc/55/77/38/490557738.db2.gz QPTGELZUHGPEKY-MNOVXSKESA-N 1 0 205.305 2.097 10 0 BEAERO Cc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000128023767 490567938 /nfs/dbraw/zinc/56/79/38/490567938.db2.gz IMIONTBNBXLXGC-DZGCQCFKSA-N 1 0 245.370 2.106 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000128924516 490594833 /nfs/dbraw/zinc/59/48/33/490594833.db2.gz ZGTQTAXVUDQSQL-CYDGBPFRSA-N 1 0 240.391 2.408 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cncs1 ZINC000222647310 490653554 /nfs/dbraw/zinc/65/35/54/490653554.db2.gz JGVRKPDWYGORGA-IVZWLZJFSA-N 1 0 226.345 2.097 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000085988120 491055950 /nfs/dbraw/zinc/05/59/50/491055950.db2.gz LFGJBONWFOVVRD-FQUUOJAGSA-N 1 0 241.375 2.085 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCC1CCC1 ZINC000659362773 491104455 /nfs/dbraw/zinc/10/44/55/491104455.db2.gz WNOYQQVJMSPBDY-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO CCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000086929523 491115779 /nfs/dbraw/zinc/11/57/79/491115779.db2.gz GTNHXGFCZYSWGZ-STQMWFEESA-N 1 0 210.365 2.345 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1CCC1 ZINC000229141173 491117314 /nfs/dbraw/zinc/11/73/14/491117314.db2.gz UWHGQSMDKXOCER-TZMCWYRMSA-N 1 0 222.376 2.345 10 0 BEAERO CCCC(CCC)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000135735647 491121196 /nfs/dbraw/zinc/12/11/96/491121196.db2.gz SUMSSOUHYTWGTR-AWEZNQCLSA-N 1 0 242.407 2.266 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+]C1CSC1 ZINC000307619288 491133850 /nfs/dbraw/zinc/13/38/50/491133850.db2.gz XAPMUUXYIITNAG-LLVKDONJSA-N 1 0 237.368 2.297 10 0 BEAERO CC[C@H]([NH2+]CCCn1cncn1)C(C)(C)C ZINC000309993186 491159591 /nfs/dbraw/zinc/15/95/91/491159591.db2.gz BNLXSKVZEANIGE-NSHDSACASA-N 1 0 224.352 2.083 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(F)cn1 ZINC000133921819 491161038 /nfs/dbraw/zinc/16/10/38/491161038.db2.gz AMPFXKZQYQEAKI-DLOVCJGASA-N 1 0 238.306 2.175 10 0 BEAERO C[NH2+]Cc1sc(C(=O)C2(C)CC2)nc1C ZINC000757125680 582499740 /nfs/dbraw/zinc/49/97/40/582499740.db2.gz SRSPEHXXDOJBRP-UHFFFAOYSA-N 1 0 224.329 2.154 10 0 BEAERO CC[C@H](C)C(=O)c1nc(C)c(C[NH3+])s1 ZINC000757124938 582500221 /nfs/dbraw/zinc/50/02/21/582500221.db2.gz RLYGYNLXSUCLEZ-LURJTMIESA-N 1 0 212.318 2.139 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757139193 582519430 /nfs/dbraw/zinc/51/94/30/582519430.db2.gz FRRTVLDELLINNE-ZJUUUORDSA-N 1 0 231.286 2.190 10 0 BEAERO CCC1(CC)CC[NH2+][C@]2(CCCOC2)O1 ZINC000757139750 582520389 /nfs/dbraw/zinc/52/03/89/582520389.db2.gz HFUWDFZXGLPKTR-GFCCVEGCSA-N 1 0 213.321 2.062 10 0 BEAERO Cc1cc(Cl)ccc1CN1CC[C@H]1C[NH3+] ZINC000757145598 582528456 /nfs/dbraw/zinc/52/84/56/582528456.db2.gz LXZBCOCKEWVEHD-LBPRGKRZSA-N 1 0 224.735 2.181 10 0 BEAERO CC1(C)CC2(C1)[NH2+]CC(C)(C)[C@]1(CCOC1)O2 ZINC000757147368 582531573 /nfs/dbraw/zinc/53/15/73/582531573.db2.gz SDHVODOLJBHXFO-CYBMUJFWSA-N 1 0 239.359 2.308 10 0 BEAERO CC[C@]1(C)CCOC2(CCSCC2)[NH2+]1 ZINC000757148268 582531904 /nfs/dbraw/zinc/53/19/04/582531904.db2.gz MUZBEUOUOKIKJP-SNVBAGLBSA-N 1 0 215.362 2.388 10 0 BEAERO CC[NH+]1CCC2(CC1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757150083 582534279 /nfs/dbraw/zinc/53/42/79/582534279.db2.gz PAVKOXZEQMKBFE-LBPRGKRZSA-N 1 0 240.391 2.081 10 0 BEAERO CC1(C)C[C@]2(CO1)[NH2+]CC1(CCCC1)CO2 ZINC000757151084 582535331 /nfs/dbraw/zinc/53/53/31/582535331.db2.gz ZZSWTWHLNOUXTO-ZDUSSCGKSA-N 1 0 225.332 2.062 10 0 BEAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757151946 582536254 /nfs/dbraw/zinc/53/62/54/582536254.db2.gz UHFKCQRWVIQDGJ-DGCLKSJQSA-N 1 0 225.332 2.062 10 0 BEAERO CC[C@@]1(C)CCOC2(CCN(C3CC3)CC2)[NH2+]1 ZINC000757152463 582536681 /nfs/dbraw/zinc/53/66/81/582536681.db2.gz SKQSEEYLHHQKJR-ZDUSSCGKSA-N 1 0 238.375 2.120 10 0 BEAERO C[NH2+][C@@H](C)[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153254 582538050 /nfs/dbraw/zinc/53/80/50/582538050.db2.gz OETXLLIJTMSYNY-CABZTGNLSA-N 1 0 227.735 2.160 10 0 BEAERO C[C@H]1CC(C)(C)O[C@]2(CCCSC2)[NH2+]1 ZINC000757153449 582537696 /nfs/dbraw/zinc/53/76/96/582537696.db2.gz VVGWFAVEQMMFSK-ONGXEEELSA-N 1 0 215.362 2.387 10 0 BEAERO CCC[C@@H]1CC[NH2+]C2(CC[NH+](C3CC3)CC2)O1 ZINC000757153880 582538314 /nfs/dbraw/zinc/53/83/14/582538314.db2.gz YGFCUTVDFWEXKB-CYBMUJFWSA-N 1 0 238.375 2.120 10 0 BEAERO Cc1cc(C[S@@](=O)C[C@@H](C)[NH3+])ccc1Cl ZINC000757155960 582540072 /nfs/dbraw/zinc/54/00/72/582540072.db2.gz GFRFRPFJUHCTPQ-PSLIRLAXSA-N 1 0 245.775 2.244 10 0 BEAERO C[C@@H]1Oc2ccc(C(F)(F)F)cc2[C@H]1[NH3+] ZINC000757176069 582552198 /nfs/dbraw/zinc/55/21/98/582552198.db2.gz ZIMGLRZZTDNXFQ-CDUCUWFYSA-N 1 0 217.190 2.486 10 0 BEAERO COCC[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000189232983 521794915 /nfs/dbraw/zinc/79/49/15/521794915.db2.gz WKZRTFVXHLPLOT-UPJWGTAASA-N 1 0 243.391 2.452 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccsc1 ZINC000306939513 533767619 /nfs/dbraw/zinc/76/76/19/533767619.db2.gz GXOARPZSPXUDBP-ONGXEEELSA-N 1 0 211.330 2.093 10 0 BEAERO [NH3+]CC[C@@H](O)c1cc(Cl)sc1Cl ZINC000236256679 582643335 /nfs/dbraw/zinc/64/33/35/582643335.db2.gz TXGNXQGNDHBUKY-RXMQYKEDSA-N 1 0 226.128 2.437 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249889315 535588807 /nfs/dbraw/zinc/58/88/07/535588807.db2.gz QDTGXEBUSUEDHD-STQMWFEESA-N 1 0 238.375 2.119 10 0 BEAERO CCC[C@H](C)C[NH+]1CCC(n2cncn2)CC1 ZINC000179902414 535608976 /nfs/dbraw/zinc/60/89/76/535608976.db2.gz MBWCJIQRFZSDBI-LBPRGKRZSA-N 1 0 236.363 2.351 10 0 BEAERO C[C@@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401501982 534113520 /nfs/dbraw/zinc/11/35/20/534113520.db2.gz PFZBBKFEXYAVMD-MBNYWOFBSA-N 1 0 219.328 2.450 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1cccc(C)c1 ZINC000016945027 535825340 /nfs/dbraw/zinc/82/53/40/535825340.db2.gz CSTDCZQTXXVEDZ-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1nccs1 ZINC000070732958 535932622 /nfs/dbraw/zinc/93/26/22/535932622.db2.gz GHSLGGDONJBTPK-AXFHLTTASA-N 1 0 240.372 2.487 10 0 BEAERO [NH3+][C@@H]1CCCc2c(Br)cncc21 ZINC000095803695 518197584 /nfs/dbraw/zinc/19/75/84/518197584.db2.gz FRQNZGBLRPLODX-SECBINFHSA-N 1 0 227.105 2.180 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccsc2)no1 ZINC000071001504 519796393 /nfs/dbraw/zinc/79/63/93/519796393.db2.gz ZPFMAASHAXEPNS-VIFPVBQESA-N 1 0 237.328 2.324 10 0 BEAERO Cc1ccc(C)c(CC(=O)NCCCCC[NH3+])c1 ZINC000079867770 524090718 /nfs/dbraw/zinc/09/07/18/524090718.db2.gz QRYTYOZGTQNPCG-UHFFFAOYSA-N 1 0 248.370 2.091 10 0 BEAERO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1C ZINC000306273995 524676861 /nfs/dbraw/zinc/67/68/61/524676861.db2.gz JRWSHTPBPKDBAQ-OUAUKWLOSA-N 1 0 242.363 2.288 10 0 BEAERO Cc1ccn2nc(C(F)(F)F)cc2c1C[NH3+] ZINC000072226095 525620377 /nfs/dbraw/zinc/62/03/77/525620377.db2.gz PAXJWMZLSIJJEO-UHFFFAOYSA-N 1 0 229.205 2.120 10 0 BEAERO Cc1ccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)n1C ZINC000229003127 525884502 /nfs/dbraw/zinc/88/45/02/525884502.db2.gz FNVVJKKKBXQQNH-JTQLQIEISA-N 1 0 246.314 2.198 10 0 BEAERO Cc1ccc(-c2noc([C@H]3CCCC[NH2+]3)n2)n1C ZINC000229003144 525886629 /nfs/dbraw/zinc/88/66/29/525886629.db2.gz FNVVJKKKBXQQNH-SNVBAGLBSA-N 1 0 246.314 2.198 10 0 BEAERO CC(C)(CN[C@@H]1CC[NH2+]C1)C1=CCCC1 ZINC000308756146 527179436 /nfs/dbraw/zinc/17/94/36/527179436.db2.gz MXNJBFHGGQHPHJ-GFCCVEGCSA-N 1 0 208.349 2.074 10 0 BEAERO Cc1nn(C(C)(C)C)c(Cl)c1C[NH3+] ZINC000057354251 527575083 /nfs/dbraw/zinc/57/50/83/527575083.db2.gz UPGFSHHLGBBIKD-UHFFFAOYSA-N 1 0 201.701 2.059 10 0 BEAERO CC(C)OC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000496678491 527812339 /nfs/dbraw/zinc/81/23/39/527812339.db2.gz PFYWYVNOWKISIR-UHFFFAOYSA-N 1 0 242.363 2.195 10 0 BEAERO CC(C)C[C@H](C)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401915223 528459767 /nfs/dbraw/zinc/45/97/67/528459767.db2.gz SCMNTIXENZUVQV-YNEHKIRRSA-N 1 0 213.365 2.371 10 0 BEAERO CC(C)[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000177062054 534927073 /nfs/dbraw/zinc/92/70/73/534927073.db2.gz DGCQFKRURZBIBG-AGIUHOORSA-N 1 0 240.391 2.123 10 0 BEAERO CCC[NH+]1CCN(c2ccc(C=O)cc2)CC1 ZINC000020079144 534933180 /nfs/dbraw/zinc/93/31/80/534933180.db2.gz PWAYCDIFWBVFBX-UHFFFAOYSA-N 1 0 232.327 2.031 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000214949309 535058057 /nfs/dbraw/zinc/05/80/57/535058057.db2.gz FCZRQKWTNYPHEB-XQQFMLRXSA-N 1 0 240.391 2.301 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000214949260 535059888 /nfs/dbraw/zinc/05/98/88/535059888.db2.gz FCZRQKWTNYPHEB-AGIUHOORSA-N 1 0 240.391 2.301 10 0 BEAERO CC(C)C[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265470 535106455 /nfs/dbraw/zinc/10/64/55/535106455.db2.gz LEKJQEDQKVHWFO-UHFFFAOYSA-N 1 0 233.359 2.047 10 0 BEAERO CCCCCc1cccc(N2CC[NH2+]CC2)n1 ZINC000028244441 535141697 /nfs/dbraw/zinc/14/16/97/535141697.db2.gz DXBNUYWPOGAZRC-UHFFFAOYSA-N 1 0 233.359 2.224 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000227905589 535317258 /nfs/dbraw/zinc/31/72/58/535317258.db2.gz XZZSYWNGDUTXIM-QWHCGFSZSA-N 1 0 231.380 2.140 10 0 BEAERO CCOc1cccc(N2CCCC[C@H]2CC[NH3+])n1 ZINC000070533435 535467087 /nfs/dbraw/zinc/46/70/87/535467087.db2.gz XYEIVPRBJPMSCB-LBPRGKRZSA-N 1 0 249.358 2.188 10 0 BEAERO CCOc1cccc(N2CCC[C@H]([NH3+])C2)c1 ZINC000043471192 535467006 /nfs/dbraw/zinc/46/70/06/535467006.db2.gz KAMKAUXHYULCAK-NSHDSACASA-N 1 0 220.316 2.013 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2nc(C)nc(C)c2C)C1 ZINC000177816876 535540758 /nfs/dbraw/zinc/54/07/58/535540758.db2.gz TZHUPOIUUVMIRC-CYBMUJFWSA-N 1 0 248.374 2.298 10 0 BEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(C)cc2N)CC1 ZINC000055066366 535566312 /nfs/dbraw/zinc/56/63/12/535566312.db2.gz ZWMKGODIAOHPFA-CYBMUJFWSA-N 1 0 247.386 2.498 10 0 BEAERO CCN1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226615554 535582012 /nfs/dbraw/zinc/58/20/12/535582012.db2.gz JELFVAGICDKGQI-KGLIPLIRSA-N 1 0 222.376 2.417 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261565743 535590007 /nfs/dbraw/zinc/59/00/07/535590007.db2.gz DEERDLRTARYVSP-QWRGUYRKSA-N 1 0 226.364 2.008 10 0 BEAERO CCN1CC[NH+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336189747 535709826 /nfs/dbraw/zinc/70/98/26/535709826.db2.gz NUOOZHZWIUXWJS-NSHDSACASA-N 1 0 232.318 2.059 10 0 BEAERO CCO[C@@H]1CCCN(c2cc(C)ccc2C[NH3+])C1 ZINC000051579561 535745023 /nfs/dbraw/zinc/74/50/23/535745023.db2.gz OSYIHIKKCZNNCL-CQSZACIVSA-N 1 0 248.370 2.459 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C(C)C ZINC000167641115 535804538 /nfs/dbraw/zinc/80/45/38/535804538.db2.gz HLXJBQMITAAHIU-GHMZBOCLSA-N 1 0 201.354 2.418 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)C(=O)OC ZINC000251812820 535819242 /nfs/dbraw/zinc/81/92/42/535819242.db2.gz OSNWPDFXKVLSHI-QJPTWQEYSA-N 1 0 227.348 2.354 10 0 BEAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261620687 535821929 /nfs/dbraw/zinc/82/19/29/535821929.db2.gz ATEZGSDKNHYZCF-LPWJVIDDSA-N 1 0 238.375 2.056 10 0 BEAERO CCc1cccc(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049709397 535892829 /nfs/dbraw/zinc/89/28/29/535892829.db2.gz ZTNDDRAQBFGJJU-RISCZKNCSA-N 1 0 218.344 2.423 10 0 BEAERO CCc1ccccc1N1CCC[C@H]([NH3+])C1 ZINC000034566123 535942116 /nfs/dbraw/zinc/94/21/16/535942116.db2.gz IADFSPSUCIVVLK-LBPRGKRZSA-N 1 0 204.317 2.177 10 0 BEAERO CCc1ccccc1N1CCC[C@@H]([NH3+])C1 ZINC000034566124 535943125 /nfs/dbraw/zinc/94/31/25/535943125.db2.gz IADFSPSUCIVVLK-GFCCVEGCSA-N 1 0 204.317 2.177 10 0 BEAERO CCn1cccc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226866132 536102191 /nfs/dbraw/zinc/10/21/91/536102191.db2.gz HOPRZXZTNGJQFO-QWHCGFSZSA-N 1 0 235.375 2.080 10 0 BEAERO CCn1cccc1C[NH2+]CC[C@H]1CCOC1 ZINC000234190396 536102417 /nfs/dbraw/zinc/10/24/17/536102417.db2.gz MGWRONVHNNFFDN-LBPRGKRZSA-N 1 0 222.332 2.024 10 0 BEAERO CC[C@H]1CN(c2ccc(F)cc2OC)CC[NH2+]1 ZINC000083366159 536160441 /nfs/dbraw/zinc/16/04/41/536160441.db2.gz XKSVNBQKOAGCCC-NSHDSACASA-N 1 0 238.306 2.023 10 0 BEAERO C[NH2+][C@@H]1CCCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538324 536362424 /nfs/dbraw/zinc/36/24/24/536362424.db2.gz ZQYWUYRWQXWURQ-VXGBXAGGSA-N 1 0 246.345 2.496 10 0 BEAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC000261704419 536399456 /nfs/dbraw/zinc/39/94/56/536399456.db2.gz JLAZDILIHPZGAV-VXGBXAGGSA-N 1 0 240.391 2.317 10 0 BEAERO COc1ccc(Cl)cc1N1CC[NH2+]C[C@H]1C ZINC000041284372 536567867 /nfs/dbraw/zinc/56/78/67/536567867.db2.gz YQQBANQZCDFQNP-SECBINFHSA-N 1 0 240.734 2.147 10 0 BEAERO C[C@H]1CC([C@](O)(C[NH3+])C(F)(F)F)=C[C@@H](C)C1 ZINC000675052269 566374324 /nfs/dbraw/zinc/37/43/24/566374324.db2.gz CPDXNHCMYRADAN-QXFUBDJGSA-N 1 0 237.265 2.231 10 0 BEAERO C[C@@H]1C=C([C@@](O)(C[NH3+])C(F)(F)F)C[C@@H](C)C1 ZINC000675052267 566374651 /nfs/dbraw/zinc/37/46/51/566374651.db2.gz CPDXNHCMYRADAN-NRPADANISA-N 1 0 237.265 2.231 10 0 BEAERO Nc1c2ccccc2[nH+]c2c1CCC[C@H]2O ZINC000003776165 560189376 /nfs/dbraw/zinc/18/93/76/560189376.db2.gz BISIFJGUTDFVFR-LLVKDONJSA-N 1 0 214.268 2.187 10 0 in-vitro BEAERO Clc1ccc([C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cn1 ZINC000013474751 560217112 /nfs/dbraw/zinc/21/71/12/560217112.db2.gz NLPRAJRHRHZCQQ-LPEHRKFASA-N 1 0 208.692 2.343 10 0 in-vitro BEAERO C[C@@H]1CC[NH2+][C@H]([C@H]2CCC3(CC3)C2=O)C1 ZINC000706579144 582960756 /nfs/dbraw/zinc/96/07/56/582960756.db2.gz OESSPDZLELJNTN-MXWKQRLJSA-N 1 0 207.317 2.134 10 0 BEAERO CCN1CCC2(CC1)[NH2+]CCc1sccc12 ZINC000397203017 583099017 /nfs/dbraw/zinc/09/90/17/583099017.db2.gz XMEHLIWENVYNDO-UHFFFAOYSA-N 1 0 236.384 2.205 10 0 BEAERO C[C@H]1CC[C@]2(CCCN2CC(F)(F)F)C[NH2+]1 ZINC000757125242 582500281 /nfs/dbraw/zinc/50/02/81/582500281.db2.gz DFJYGFKYGROJQK-VHSXEESVSA-N 1 0 236.281 2.155 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757126936 582502252 /nfs/dbraw/zinc/50/22/52/582502252.db2.gz HTGBPBRGLLGVKY-OCCSQVGLSA-N 1 0 222.376 2.345 10 0 BEAERO CCOCCNc1ccc2c(c1)CCN2C ZINC000757129849 582503815 /nfs/dbraw/zinc/50/38/15/582503815.db2.gz MZYJXNCRSQXECJ-UHFFFAOYSA-N 1 0 220.316 2.127 10 0 BEAERO CC[C@@H](C)[C@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757132515 582506739 /nfs/dbraw/zinc/50/67/39/582506739.db2.gz TZCCWXWAQQAILO-XCBNKYQSSA-N 1 0 228.361 2.250 10 0 BEAERO CCC1(CC)[NH2+]CC(C)(C)[C@@]2(CCOC2)O1 ZINC000757138361 582517762 /nfs/dbraw/zinc/51/77/62/582517762.db2.gz BKOOCWLVPNHFGE-LBPRGKRZSA-N 1 0 227.348 2.308 10 0 BEAERO CCC1(CC)CC[NH2+][C@@]2(CCCOCC2)O1 ZINC000757138641 582518461 /nfs/dbraw/zinc/51/84/61/582518461.db2.gz CWZXIFPITJJVSE-ZDUSSCGKSA-N 1 0 227.348 2.452 10 0 BEAERO C1CC2(C1)CC[NH2+]C1(CCSCC1)O2 ZINC000757144696 582525428 /nfs/dbraw/zinc/52/54/28/582525428.db2.gz GMWJDGVWMIPQJW-UHFFFAOYSA-N 1 0 213.346 2.142 10 0 BEAERO CC(C)[C@H]1[NH2+][C@]2(CCSC2)OCC1(C)C ZINC000757144815 582525845 /nfs/dbraw/zinc/52/58/45/582525845.db2.gz HISMWOVUOUALRJ-ZYHUDNBSSA-N 1 0 229.389 2.490 10 0 BEAERO Cc1cc(C[C@@](C)(C[NH3+])CO)ccc1Cl ZINC000757145485 582528083 /nfs/dbraw/zinc/52/80/83/582528083.db2.gz MERZWHLNRAOEOM-LBPRGKRZSA-N 1 0 227.735 2.148 10 0 BEAERO FC1(F)CCC2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757145857 582528585 /nfs/dbraw/zinc/52/85/85/582528585.db2.gz QQWFFPSOOIKDSN-UHFFFAOYSA-N 1 0 217.259 2.292 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+][C@]2(COC(C)(C)C2)OC1 ZINC000757148860 582532873 /nfs/dbraw/zinc/53/28/73/582532873.db2.gz OBKPNQBZWLFAFL-GWCFXTLKSA-N 1 0 227.348 2.164 10 0 BEAERO CC1(C)C[NH2+]C2(CCC2)O[C@@]12CCCOC2 ZINC000757150076 582534107 /nfs/dbraw/zinc/53/41/07/582534107.db2.gz WTEFDWKRXGJAQW-GFCCVEGCSA-N 1 0 225.332 2.062 10 0 BEAERO Cc1cc(C[C@@H]2COC[C@@H]2[NH3+])ccc1Cl ZINC000757149919 582534124 /nfs/dbraw/zinc/53/41/24/582534124.db2.gz DKUGWEPPRAPGED-PWSUYJOCSA-N 1 0 225.719 2.165 10 0 BEAERO Cc1cc(CC(=O)C[C@H](C)[NH3+])ccc1Cl ZINC000757150472 582535030 /nfs/dbraw/zinc/53/50/30/582535030.db2.gz FPAKHHLDZITHAD-VIFPVBQESA-N 1 0 225.719 2.497 10 0 BEAERO COC[C@H]1CCOC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757151318 582535281 /nfs/dbraw/zinc/53/52/81/582535281.db2.gz SKRUFPBUQRTNKR-LLVKDONJSA-N 1 0 227.348 2.308 10 0 BEAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757151955 582536156 /nfs/dbraw/zinc/53/61/56/582536156.db2.gz UHFKCQRWVIQDGJ-YPMHNXCESA-N 1 0 225.332 2.062 10 0 BEAERO C[C@@H]1CC(C)(C)O[C@@]2(CCCOCC2)[NH2+]1 ZINC000757153408 582537423 /nfs/dbraw/zinc/53/74/23/582537423.db2.gz VCLBKGRCFDYXFJ-ZYHUDNBSSA-N 1 0 213.321 2.060 10 0 BEAERO Cc1cc(C[C@H](O)[C@@H](C)C[NH3+])ccc1Cl ZINC000757159656 582541427 /nfs/dbraw/zinc/54/14/27/582541427.db2.gz PUJAXSLPXPFDDB-CABZTGNLSA-N 1 0 227.735 2.147 10 0 BEAERO Cc1cc(C[C@](C)(O)[C@@H](C)[NH3+])ccc1Cl ZINC000757159726 582541442 /nfs/dbraw/zinc/54/14/42/582541442.db2.gz QARBWKLKLHYDDK-SKDRFNHKSA-N 1 0 227.735 2.289 10 0 BEAERO C[NH+](C)C[C@H](O)CSCc1ccc(Cl)o1 ZINC000757165048 582546368 /nfs/dbraw/zinc/54/63/68/582546368.db2.gz KKIUBHUMFUYSMH-QMMMGPOBSA-N 1 0 249.763 2.089 10 0 BEAERO CC(C)(C)OC(=O)C1(c2ccccc2)CC([NH3+])C1 ZINC000757178528 582553653 /nfs/dbraw/zinc/55/36/53/582553653.db2.gz YDBHHIKKLHHIOM-UHFFFAOYSA-N 1 0 247.338 2.387 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1C1CCCC1 ZINC000757187994 582554968 /nfs/dbraw/zinc/55/49/68/582554968.db2.gz JEJIFVIFZWVRIY-NEPJUHHUSA-N 1 0 239.359 2.354 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1C1CCCC1 ZINC000757188002 582555259 /nfs/dbraw/zinc/55/52/59/582555259.db2.gz JEJIFVIFZWVRIY-RYUDHWBXSA-N 1 0 239.359 2.354 10 0 BEAERO CC1(c2ccc([C@@H]3CC[NH2+]C[C@H]3N)cc2)CC1 ZINC000757213018 582561038 /nfs/dbraw/zinc/56/10/38/582561038.db2.gz KRUKZVWMEUXDGR-UONOGXRCSA-N 1 0 230.355 2.142 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1c1cccc(C=O)c1 ZINC000757217182 582561901 /nfs/dbraw/zinc/56/19/01/582561901.db2.gz RGVZKPFQSVWCBM-GXFFZTMASA-N 1 0 203.285 2.212 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](c2cccc3cc[nH]c32)[C@H](N)C1 ZINC000757220316 582563941 /nfs/dbraw/zinc/56/39/41/582563941.db2.gz YOXMHWNDIJVXBE-BHYNMZESSA-N 1 0 229.327 2.166 10 0 BEAERO c1nc2c([nH]1)[C@H](CC1CCCC1)[NH2+]CC2 ZINC000400498138 582579432 /nfs/dbraw/zinc/57/94/32/582579432.db2.gz MHYLSXSODRZYLN-NSHDSACASA-N 1 0 205.305 2.177 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](C)C[C@@H]2C(F)(F)F ZINC000235704703 582604643 /nfs/dbraw/zinc/60/46/43/582604643.db2.gz OOQNSERUCVUAMU-CAHLUQPWSA-N 1 0 219.210 2.499 10 0 BEAERO FC(F)[C@H]1CCNc2[nH+]c3c(n21)CCCC3 ZINC000236129121 582639658 /nfs/dbraw/zinc/63/96/58/582639658.db2.gz TZCUJNZLNPNXFO-SECBINFHSA-N 1 0 227.258 2.384 10 0 BEAERO c1nc2c([nH]1)C1(CCCCCC1)[NH2+]CC2 ZINC000238103518 582663918 /nfs/dbraw/zinc/66/39/18/582663918.db2.gz AHTMMWCVBLJEFA-UHFFFAOYSA-N 1 0 205.305 2.105 10 0 BEAERO Nc1[nH+]ccn1Cc1ccc(Cl)s1 ZINC000037483159 582674978 /nfs/dbraw/zinc/67/49/78/582674978.db2.gz JSVSPHLFHOHZPS-UHFFFAOYSA-N 1 0 213.693 2.229 10 0 BEAERO Clc1cccc2c3c([nH]c21)C[NH2+]CC3 ZINC000039829382 582675586 /nfs/dbraw/zinc/67/55/86/582675586.db2.gz ZQSNNXLCVFOWHW-UHFFFAOYSA-N 1 0 206.676 2.467 10 0 BEAERO Cn1cncc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000289724031 582901957 /nfs/dbraw/zinc/90/19/57/582901957.db2.gz JVADEMQRWBCUOP-PWSUYJOCSA-N 1 0 225.311 2.038 10 0 BEAERO Cc1csc(C(=O)C[C@H]2CCCC[NH2+]2)n1 ZINC000702018364 582923450 /nfs/dbraw/zinc/92/34/50/582923450.db2.gz BNFLVALKCSENCO-SECBINFHSA-N 1 0 224.329 2.166 10 0 BEAERO Cc1nc(C(=O)C[C@@H]2CCC[NH2+]2)sc1C ZINC000702033235 582923762 /nfs/dbraw/zinc/92/37/62/582923762.db2.gz RAARUJWUZIOCSR-VIFPVBQESA-N 1 0 224.329 2.085 10 0 BEAERO CC[C@H]1CC[NH2+][C@@H](CC(=O)C2(Cl)CC2)C1 ZINC000702366381 582925945 /nfs/dbraw/zinc/92/59/45/582925945.db2.gz YHGBCJDPAJHICI-VHSXEESVSA-N 1 0 229.751 2.495 10 0 BEAERO C[C@H](C(=O)C(F)(F)F)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000702914268 582929860 /nfs/dbraw/zinc/92/98/60/582929860.db2.gz PIJKBAPXWCJWIE-CSMHCCOUSA-N 1 0 223.238 2.285 10 0 BEAERO C[C@@H](C(=O)C(F)(F)F)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000702912349 582929922 /nfs/dbraw/zinc/92/99/22/582929922.db2.gz GLMNRPRXFCEHIJ-PRJMDXOYSA-N 1 0 223.238 2.142 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]1)[C@]12C[C@H]1CCCC2 ZINC000709106928 582991783 /nfs/dbraw/zinc/99/17/83/582991783.db2.gz BZVDEUPKMVCYBH-NTZNESFSSA-N 1 0 207.317 2.278 10 0 BEAERO CN1CCC[C@@]2(CC1)[NH2+]CCc1sccc12 ZINC000397160216 583097668 /nfs/dbraw/zinc/09/76/68/583097668.db2.gz SNLFGSZIDZSJGV-ZDUSSCGKSA-N 1 0 236.384 2.205 10 0 BEAERO C(CC1CC1)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000222362740 583178362 /nfs/dbraw/zinc/17/83/62/583178362.db2.gz VSOLAWDQPIOIMZ-CQSZACIVSA-N 1 0 222.376 2.347 10 0 BEAERO CC1CCC([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052513 583302018 /nfs/dbraw/zinc/30/20/18/583302018.db2.gz FUPPIOLUTXIVIJ-HACHORDNSA-N 1 0 225.254 2.065 10 0 BEAERO CCCN1CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397287724 583615155 /nfs/dbraw/zinc/61/51/55/583615155.db2.gz JYRNNNUZIPHPFA-CYBMUJFWSA-N 1 0 236.384 2.205 10 0 BEAERO C[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2)O1 ZINC000148375943 583923921 /nfs/dbraw/zinc/92/39/21/583923921.db2.gz FUYLEUHFYYUGOT-OCCSQVGLSA-N 1 0 219.328 2.386 10 0 BEAERO COc1cc(Cl)cc2c1OC[C@H]([C@H](C)[NH3+])C2 ZINC000675063387 584892847 /nfs/dbraw/zinc/89/28/47/584892847.db2.gz DYMRJLAMFPFMFO-IONNQARKSA-N 1 0 241.718 2.247 10 0 BEAERO C[C@@H](CC(N)=O)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000129329414 584907901 /nfs/dbraw/zinc/90/79/01/584907901.db2.gz HPJQPKMRPDPGQS-DCAQKATOSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[N@@H+]1CCC=C(C2=CCOCC2)C1 ZINC000757568865 586356955 /nfs/dbraw/zinc/35/69/55/586356955.db2.gz SPZNBIVUADUBQQ-UHFFFAOYSA-N 1 0 207.317 2.374 10 0 BEAERO COc1cccc(-c2[nH+]ccc(N)c2N)c1F ZINC000757569531 586366293 /nfs/dbraw/zinc/36/62/93/586366293.db2.gz WVBWQGGHLWEIOL-UHFFFAOYSA-N 1 0 233.246 2.061 10 0 BEAERO CC[C@@H]1[NH2+][C@H](c2ccc(OC)cc2)CCO1 ZINC000757139638 586427883 /nfs/dbraw/zinc/42/78/83/586427883.db2.gz HNTRMKYIJCEMHB-QWHCGFSZSA-N 1 0 221.300 2.482 10 0 BEAERO [NH3+][C@@H](c1ccc(O)c2ncccc12)C1CC1 ZINC000757144175 586428231 /nfs/dbraw/zinc/42/82/31/586428231.db2.gz HUXWHJJOHSZTAJ-GFCCVEGCSA-N 1 0 214.268 2.350 10 0 BEAERO Cc1cc(C[NH2+]C2CC(O)C2)ccc1Cl ZINC000757153783 586429280 /nfs/dbraw/zinc/42/92/80/586429280.db2.gz SEBRAWPBZZCSJO-UHFFFAOYSA-N 1 0 225.719 2.261 10 0 BEAERO Cc1cc(CC(=O)[C@H](C)C[NH3+])ccc1Cl ZINC000757156489 586429969 /nfs/dbraw/zinc/42/99/69/586429969.db2.gz IXQSMUZPMKUDKP-SECBINFHSA-N 1 0 225.719 2.355 10 0 BEAERO Cc1cc(Cn2cc[nH+]c2N)ccc1Cl ZINC000757161825 586431243 /nfs/dbraw/zinc/43/12/43/586431243.db2.gz XVDFCYDEDGPWAP-UHFFFAOYSA-N 1 0 221.691 2.475 10 0 BEAERO COC[C@@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757161347 586432035 /nfs/dbraw/zinc/43/20/35/586432035.db2.gz VFVXWTJTZJNYBO-JTQLQIEISA-N 1 0 213.708 2.165 10 0 BEAERO COC[C@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757161352 586432150 /nfs/dbraw/zinc/43/21/50/586432150.db2.gz VFVXWTJTZJNYBO-SNVBAGLBSA-N 1 0 213.708 2.165 10 0 BEAERO Cc1ccc2c(c1Cl)NC(=O)C[C@@H]2C[NH3+] ZINC000757175275 586433210 /nfs/dbraw/zinc/43/32/10/586433210.db2.gz BMIJWQLYAPMXNV-SSDOTTSWSA-N 1 0 224.691 2.033 10 0 BEAERO Cc1nn([C@@H](C)C(C)(C)C)cc1C(N)=[NH2+] ZINC000757195920 586436344 /nfs/dbraw/zinc/43/63/44/586436344.db2.gz LGUXDPFTNYZXSJ-QMMMGPOBSA-N 1 0 208.309 2.083 10 0 BEAERO CCCC[C@@H]1[NH2+]CCC[C@H]1C(=O)OCC ZINC000757208631 586438061 /nfs/dbraw/zinc/43/80/61/586438061.db2.gz AFNDPLHARKADIR-MNOVXSKESA-N 1 0 213.321 2.108 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@H]1c1cccc(C=O)c1 ZINC000757208053 586438082 /nfs/dbraw/zinc/43/80/82/586438082.db2.gz CCNZRDFIVIPZKG-ZWNOBZJWSA-N 1 0 203.285 2.212 10 0 BEAERO Cc1cncc(SCC[NH2+]C2CC2)c1 ZINC000757212126 586439116 /nfs/dbraw/zinc/43/91/16/586439116.db2.gz MCUOXLGKTXTGAO-UHFFFAOYSA-N 1 0 208.330 2.234 10 0 BEAERO C[C@@H]1CC[C@@H](N)[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757212974 586439684 /nfs/dbraw/zinc/43/96/84/586439684.db2.gz KPHPZTYJGWHIOV-IUPBHXKESA-N 1 0 229.327 2.308 10 0 BEAERO CC(=O)c1ccc([C@@H]2N[C@H](C)CC[C@H]2[NH3+])cc1 ZINC000757215923 586440824 /nfs/dbraw/zinc/44/08/24/586440824.db2.gz OCKHJBZSFFHYBN-FZQKWOKYSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1c1ccc(C=O)s1 ZINC000757217792 586441708 /nfs/dbraw/zinc/44/17/08/586441708.db2.gz SJGILBGZVUCIKP-WPRPVWTQSA-N 1 0 209.314 2.416 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN[C@H]1c1cccc2cc[nH]c21 ZINC000757218278 586441816 /nfs/dbraw/zinc/44/18/16/586441816.db2.gz UVPNDTQWTUYJTK-IRUJWGPZSA-N 1 0 229.327 2.166 10 0 BEAERO C[C@@H]1CCN[C@@H](c2cccc3cc[nH]c32)[C@H]1[NH3+] ZINC000757219384 586442015 /nfs/dbraw/zinc/44/20/15/586442015.db2.gz WYNNQICSHAZCHA-LQJRIPTKSA-N 1 0 229.327 2.166 10 0 BEAERO [NH3+][C@@H]1CCCN[C@@H]1c1cscc1C(F)F ZINC000757230015 586442401 /nfs/dbraw/zinc/44/24/01/586442401.db2.gz FTFHRDYORXMPER-RKDXNWHRSA-N 1 0 232.299 2.438 10 0 BEAERO Cc1ccc(N)cc1[C@H]1CCC[NH2+][C@H]1C ZINC000757228656 586442547 /nfs/dbraw/zinc/44/25/47/586442547.db2.gz DOEVLMJUIDYDFA-JQWIXIFHSA-N 1 0 204.317 2.433 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1CC[NH2+]C[C@H]1C ZINC000757235630 586443326 /nfs/dbraw/zinc/44/33/26/586443326.db2.gz MDILAMZWACXCIU-ZYHUDNBSSA-N 1 0 204.317 2.290 10 0 BEAERO NC[C@H]1C[C@@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757234300 586443336 /nfs/dbraw/zinc/44/33/36/586443336.db2.gz KMIGZLYMDDDCPL-JGVFFNPUSA-N 1 0 246.326 2.480 10 0 BEAERO NC[C@H]1C[C@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757234237 586443356 /nfs/dbraw/zinc/44/33/56/586443356.db2.gz KMIGZLYMDDDCPL-HTQZYQBOSA-N 1 0 246.326 2.480 10 0 BEAERO CC(C)(C)C1CCC([C@H](C[NH3+])CO)CC1 ZINC000107894370 588415242 /nfs/dbraw/zinc/41/52/42/588415242.db2.gz PUTDLOMDYYEDQZ-MOENNCHZSA-N 1 0 213.365 2.406 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c(C)o1 ZINC000121059891 589492153 /nfs/dbraw/zinc/49/21/53/589492153.db2.gz XKTKPJNTZCVYIC-WCQYABFASA-N 1 0 223.316 2.147 10 0 BEAERO CC1(C)CCC(NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000124067306 589922470 /nfs/dbraw/zinc/92/24/70/589922470.db2.gz CDHNFOJFTRAVHX-GFCCVEGCSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)(C)c1ccc([C@H]([NH3+])CCO)cc1 ZINC000019784055 589979342 /nfs/dbraw/zinc/97/93/42/589979342.db2.gz MJDGCGWYWYSKMH-GFCCVEGCSA-N 1 0 207.317 2.366 10 0 BEAERO CC(C)[C@@](C)(O)C[NH2+]CCc1ccccc1 ZINC000124518633 590038784 /nfs/dbraw/zinc/03/87/84/590038784.db2.gz FNXQUKNVFMLHEP-AWEZNQCLSA-N 1 0 221.344 2.226 10 0 BEAERO CCC[C@@H](C)C[NH2+]CCc1nnc2ccccn21 ZINC000020128282 590076302 /nfs/dbraw/zinc/07/63/02/590076302.db2.gz KKMIYPYNPYGYSQ-GFCCVEGCSA-N 1 0 246.358 2.298 10 0 BEAERO CC(C)[C@@H](O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000124922671 590102179 /nfs/dbraw/zinc/10/21/79/590102179.db2.gz HUKUQEBNXJDWOH-OLZOCXBDSA-N 1 0 241.375 2.085 10 0 BEAERO CC(C)[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000020523463 590116857 /nfs/dbraw/zinc/11/68/57/590116857.db2.gz WSPZAWISGMFFBA-NSHDSACASA-N 1 0 214.353 2.056 10 0 BEAERO C[C@@H]1CCc2n[nH]c([C@H]3CCC[NH2+]C3)c2C1 ZINC000211361647 591162756 /nfs/dbraw/zinc/16/27/56/591162756.db2.gz KUSHBPLGFDOQNP-ZJUUUORDSA-N 1 0 219.332 2.002 10 0 BEAERO C[C@H]1CCc2n[nH]c([C@@H]3CCC[NH2+]C3)c2C1 ZINC000211361578 591163353 /nfs/dbraw/zinc/16/33/53/591163353.db2.gz KUSHBPLGFDOQNP-VHSXEESVSA-N 1 0 219.332 2.002 10 0 BEAERO CC[C@@H]1C[C@@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000211602846 591208248 /nfs/dbraw/zinc/20/82/48/591208248.db2.gz WIHMINITZZPBMJ-WDEREUQCSA-N 1 0 242.363 2.371 10 0 BEAERO COCCOC[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000130249245 591451513 /nfs/dbraw/zinc/45/15/13/591451513.db2.gz TXAFRLLXVSDQMD-RYUDHWBXSA-N 1 0 229.364 2.206 10 0 BEAERO COC(=O)/C(C)=C\C[N@@H+]1CCCCC[C@@H]1C ZINC000214563842 591634521 /nfs/dbraw/zinc/63/45/21/591634521.db2.gz AKRFPAJHWURNSC-KGTBHZDVSA-N 1 0 225.332 2.370 10 0 BEAERO O[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000214665332 591702005 /nfs/dbraw/zinc/70/20/05/591702005.db2.gz YHPZSABRPMSIBK-KGLIPLIRSA-N 1 0 235.302 2.174 10 0 BEAERO C[C@@H]([NH2+]CCSC(F)(F)F)[C@@H]1CCOC1 ZINC000132464130 591710553 /nfs/dbraw/zinc/71/05/53/591710553.db2.gz WDDZSJXQSYHSIP-HTQZYQBOSA-N 1 0 243.294 2.254 10 0 BEAERO C[C@@H](NC(=O)CCCCCC[NH3+])C(C)(C)C ZINC000133443594 591796699 /nfs/dbraw/zinc/79/66/99/591796699.db2.gz TXOYWNUKFAEJMN-LLVKDONJSA-N 1 0 228.380 2.446 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000133276510 591781075 /nfs/dbraw/zinc/78/10/75/591781075.db2.gz JJRAESMBLGXORC-SFXRXQKFSA-N 1 0 240.347 2.040 10 0 BEAERO CCCCCCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000133698603 591848749 /nfs/dbraw/zinc/84/87/49/591848749.db2.gz XCMPZLWUOHRRQN-NEPJUHHUSA-N 1 0 226.364 2.214 10 0 BEAERO c1ccc2nc(NC[C@H]3CC[NH2+]C3)ccc2c1 ZINC000133831535 591861875 /nfs/dbraw/zinc/86/18/75/591861875.db2.gz LVVMAPNGAXSGFU-NSHDSACASA-N 1 0 227.311 2.256 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC[S@@](C)=O)c(C)c1 ZINC000133838192 591862432 /nfs/dbraw/zinc/86/24/32/591862432.db2.gz GLWDOPSPEUQHLO-WBMJQRKESA-N 1 0 239.384 2.333 10 0 BEAERO CCC[C@H](O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000134410628 591925952 /nfs/dbraw/zinc/92/59/52/591925952.db2.gz FVPIVTKWCCUZSY-STQMWFEESA-N 1 0 241.375 2.229 10 0 BEAERO CC[C@@H](C)c1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000134615089 591942256 /nfs/dbraw/zinc/94/22/56/591942256.db2.gz CTVRDGRYTXJFMW-ZJUUUORDSA-N 1 0 223.320 2.125 10 0 BEAERO c1cc(C[NH2+]CC[C@@H]2CCCCO2)co1 ZINC000134671131 591946366 /nfs/dbraw/zinc/94/63/66/591946366.db2.gz OQHBCBSSMGBASE-LBPRGKRZSA-N 1 0 209.289 2.328 10 0 BEAERO Cc1nnc(C[NH2+][C@@H](C)CC(C)C)s1 ZINC000134719654 591948138 /nfs/dbraw/zinc/94/81/38/591948138.db2.gz WNMKKRGYMMDLIY-QMMMGPOBSA-N 1 0 213.350 2.371 10 0 BEAERO O[C@H](C[NH2+][C@H]1CCCSC1)c1ccsc1 ZINC000134806776 591951164 /nfs/dbraw/zinc/95/11/64/591951164.db2.gz CYJGTTHCDMNUNI-WDEREUQCSA-N 1 0 243.397 2.267 10 0 BEAERO C1C[C@@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCCSC2)O1 ZINC000134807971 591951202 /nfs/dbraw/zinc/95/12/02/591951202.db2.gz FLBUKZSOBGGHMU-YVECIDJPSA-N 1 0 241.400 2.429 10 0 BEAERO O[C@H](C[NH2+][C@@H]1CCCSC1)c1ccsc1 ZINC000134806739 591951274 /nfs/dbraw/zinc/95/12/74/591951274.db2.gz CYJGTTHCDMNUNI-GHMZBOCLSA-N 1 0 243.397 2.267 10 0 BEAERO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCCSC2)[nH]n1 ZINC000134815141 591951741 /nfs/dbraw/zinc/95/17/41/591951741.db2.gz SROYGDHEUJVUEA-KOLCDFICSA-N 1 0 239.388 2.134 10 0 BEAERO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCSC2)s1 ZINC000135009734 591972579 /nfs/dbraw/zinc/97/25/79/591972579.db2.gz LAVGHVCSDPQBLS-APPZFPTMSA-N 1 0 243.401 2.393 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cnccc1C ZINC000135458215 592012322 /nfs/dbraw/zinc/01/23/22/592012322.db2.gz WXWDCELNKFPXSL-OLZOCXBDSA-N 1 0 220.316 2.047 10 0 BEAERO c1ccc2c(c1)cncc2C[NH2+][C@H]1CCOC1 ZINC000135784158 592054868 /nfs/dbraw/zinc/05/48/68/592054868.db2.gz KIEOOMUBIKEJKM-ZDUSSCGKSA-N 1 0 228.295 2.113 10 0 BEAERO Cc1ccccc1[C@H](O)C[N@H+]1CC[C@@H](C)C1 ZINC000216944616 592090916 /nfs/dbraw/zinc/09/09/16/592090916.db2.gz NENWYEPCDHZCTH-BXUZGUMPSA-N 1 0 219.328 2.370 10 0 BEAERO Cc1ccccc1[C@@H](O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000217597839 592138140 /nfs/dbraw/zinc/13/81/40/592138140.db2.gz IYWRVDXLOVGRMR-ZFWWWQNUSA-N 1 0 249.354 2.139 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000300389583 592510212 /nfs/dbraw/zinc/51/02/12/592510212.db2.gz SERPZODMCRUMHD-BDAKNGLRSA-N 1 0 227.739 2.352 10 0 BEAERO C[C@@H]([NH3+])CN(C)C(=O)c1cccc2ccccc21 ZINC000104308179 592610638 /nfs/dbraw/zinc/61/06/38/592610638.db2.gz JBPHQBFTZFJZJB-LLVKDONJSA-N 1 0 242.322 2.259 10 0 BEAERO CCCC[NH+](CCCC)CN1CCOC1=S ZINC000124618839 634431031 /nfs/dbraw/zinc/43/10/31/634431031.db2.gz XYDKBQTWCSTCTC-UHFFFAOYSA-N 1 0 244.404 2.463 10 0 BEAERO [NH3+]CC[C@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000125456300 634506422 /nfs/dbraw/zinc/50/64/22/634506422.db2.gz GOORQMCTZHWXFY-LBPRGKRZSA-N 1 0 241.338 2.410 10 0 BEAERO Cc1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)s1 ZINC000258012278 634541075 /nfs/dbraw/zinc/54/10/75/634541075.db2.gz MUMRAZJPZSODQT-MRVPVSSYSA-N 1 0 235.312 2.183 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000335914088 634546670 /nfs/dbraw/zinc/54/66/70/634546670.db2.gz TVUXZKXNQZNDON-GXSJLCMTSA-N 1 0 207.321 2.421 10 0 BEAERO CC(C)(C)C(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054026605 635327248 /nfs/dbraw/zinc/32/72/48/635327248.db2.gz LPMRUMHPDGNHPA-NWDGAFQWSA-N 1 0 239.359 2.245 10 0 BEAERO CC(C)([NH3+])CCc1nc([C@H]2CC2(C)C)no1 ZINC000225476917 635407541 /nfs/dbraw/zinc/40/75/41/635407541.db2.gz REECUJVIDZOUPX-MRVPVSSYSA-N 1 0 223.320 2.253 10 0 BEAERO CN(C)CC1([NH2+]CCc2ccccc2)CCC1 ZINC000337215928 635446531 /nfs/dbraw/zinc/44/65/31/635446531.db2.gz HGLUIPVAYXTYBJ-UHFFFAOYSA-N 1 0 232.371 2.303 10 0 BEAERO CC1(C)C[C@@H]1c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000232883603 635516381 /nfs/dbraw/zinc/51/63/81/635516381.db2.gz FOQOXNKCTNISBR-NXEZZACHSA-N 1 0 235.331 2.125 10 0 BEAERO CCC(O)(CC)C[NH2+]CCc1ccccc1 ZINC000083463657 631426464 /nfs/dbraw/zinc/42/64/64/631426464.db2.gz JWRNBJNNCVANDM-UHFFFAOYSA-N 1 0 221.344 2.370 10 0 BEAERO C[C@H](CCC[NH3+])Nc1cccc(Cl)n1 ZINC000308561178 631431962 /nfs/dbraw/zinc/43/19/62/631431962.db2.gz XLGYKDLEHLBXRG-MRVPVSSYSA-N 1 0 213.712 2.274 10 0 BEAERO Cc1cn2c([nH+]1)NCC[C@@H]2C(F)(F)F ZINC000235919712 631530401 /nfs/dbraw/zinc/53/04/01/631530401.db2.gz AAVSWIMUHDAAEW-ZCFIWIBFSA-N 1 0 205.183 2.111 10 0 BEAERO C[NH2+]CCc1noc(-c2cc3c(s2)CCC3)n1 ZINC000051850718 631963179 /nfs/dbraw/zinc/96/31/79/631963179.db2.gz RYDHCORVCKAZRR-UHFFFAOYSA-N 1 0 249.339 2.049 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000161573087 632088860 /nfs/dbraw/zinc/08/88/60/632088860.db2.gz WRBKZXDUTWJTIN-YPMHNXCESA-N 1 0 239.359 2.450 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000161573510 632089779 /nfs/dbraw/zinc/08/97/79/632089779.db2.gz WRBKZXDUTWJTIN-WCQYABFASA-N 1 0 239.359 2.450 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000252155343 635706604 /nfs/dbraw/zinc/70/66/04/635706604.db2.gz NEFQIERABLKVOU-AGIUHOORSA-N 1 0 238.375 2.010 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCSC(C)(C)C ZINC000237069756 635733937 /nfs/dbraw/zinc/73/39/37/635733937.db2.gz WPTSNXQSDBRTEQ-VHSXEESVSA-N 1 0 246.420 2.008 10 0 BEAERO OCc1c[nH+]ccc1N1CCc2ccccc2C1 ZINC000126408169 635814175 /nfs/dbraw/zinc/81/41/75/635814175.db2.gz GMEMQYCXDNZKTO-UHFFFAOYSA-N 1 0 240.306 2.137 10 0 BEAERO COC[C@H](C)[NH2+][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000309486015 632417817 /nfs/dbraw/zinc/41/78/17/632417817.db2.gz VMIZHUBQDBPYPY-BIMULSAOSA-N 1 0 223.291 2.306 10 0 BEAERO CCC[C@@H](N)c1nc(CC2CCC2)no1 ZINC000308927821 632472362 /nfs/dbraw/zinc/47/23/62/632472362.db2.gz BAVVBGFSJIMIBI-SECBINFHSA-N 1 0 209.293 2.212 10 0 BEAERO CCCc1ccc(C[NH2+][C@@H](C)[C@H](C)O)cc1 ZINC000309663652 632627240 /nfs/dbraw/zinc/62/72/40/632627240.db2.gz SJHNUUICXQJGKH-RYUDHWBXSA-N 1 0 221.344 2.498 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCO[C@H]2C)cc(Cl)n1 ZINC000309962881 632687964 /nfs/dbraw/zinc/68/79/64/632687964.db2.gz MDPVYTUVLKMKBB-ONGXEEELSA-N 1 0 240.734 2.310 10 0 BEAERO CC(=O)Nc1ccc(CC[NH2+]C2CCC2)cc1 ZINC000154172326 632828607 /nfs/dbraw/zinc/82/86/07/632828607.db2.gz NKACCQSOOTYIAI-UHFFFAOYSA-N 1 0 232.327 2.330 10 0 BEAERO CC(C)(CO)[NH2+]CCCCc1ccccc1 ZINC000162982545 633044005 /nfs/dbraw/zinc/04/40/05/633044005.db2.gz AFBYJXYULXIIKK-UHFFFAOYSA-N 1 0 221.344 2.370 10 0 BEAERO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H]1O ZINC000704029455 633046288 /nfs/dbraw/zinc/04/62/88/633046288.db2.gz DCKBNBWCNIHSPS-STQMWFEESA-N 1 0 205.301 2.032 10 0 BEAERO COC(=O)[C@H]1C[NH2+]C[C@@]12CCCC(C)(C)CC2 ZINC000166439589 633113532 /nfs/dbraw/zinc/11/35/32/633113532.db2.gz ITSWNUXGHAYCKA-RISCZKNCSA-N 1 0 239.359 2.356 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C2CC2)cc1 ZINC000166474184 633114409 /nfs/dbraw/zinc/11/44/09/633114409.db2.gz DNHOQVXLRPVJDJ-ZIAGYGMSSA-N 1 0 245.322 2.040 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCCC(C)(C)C2 ZINC000166591807 633116774 /nfs/dbraw/zinc/11/67/74/633116774.db2.gz ZKJANWCRSSDTOK-FZMZJTMJSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1c(C)cccc1C ZINC000166540579 633117071 /nfs/dbraw/zinc/11/70/71/633117071.db2.gz ZPWZROYOQSNQPD-CHWSQXEVSA-N 1 0 247.338 2.170 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1CC ZINC000166590744 633117396 /nfs/dbraw/zinc/11/73/96/633117396.db2.gz NQXVYGLSIFYHGB-ZIAGYGMSSA-N 1 0 247.338 2.115 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(C)ccc1C ZINC000166565881 633117726 /nfs/dbraw/zinc/11/77/26/633117726.db2.gz LZSJJHFWCZEPNU-KBPBESRZSA-N 1 0 247.338 2.170 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)ccc1C ZINC000166565670 633118250 /nfs/dbraw/zinc/11/82/50/633118250.db2.gz LZSJJHFWCZEPNU-KGLIPLIRSA-N 1 0 247.338 2.170 10 0 BEAERO C[C@H](C[NH3+])c1noc(CSc2ccccc2)n1 ZINC000092234137 633235241 /nfs/dbraw/zinc/23/52/41/633235241.db2.gz CYZWLMINMRHSGG-SECBINFHSA-N 1 0 249.339 2.424 10 0 BEAERO CC(C)C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000306344082 635962683 /nfs/dbraw/zinc/96/26/83/635962683.db2.gz MWJXFRVPDTYTJI-NSHDSACASA-N 1 0 244.379 2.487 10 0 BEAERO CC(C)[C@@H]([NH3+])c1ccc(O)c(F)c1F ZINC000095671607 636053229 /nfs/dbraw/zinc/05/32/29/636053229.db2.gz VKMMJGFBHJBNSB-SNVBAGLBSA-N 1 0 201.216 2.326 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309797113 633752205 /nfs/dbraw/zinc/75/22/05/633752205.db2.gz QKJXLRVLZRWNSO-GAFUQQFSSA-N 1 0 220.316 2.159 10 0 BEAERO CCOC[C@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309898984 633912449 /nfs/dbraw/zinc/91/24/49/633912449.db2.gz GWTVGVCUUFBTKA-GWCFXTLKSA-N 1 0 222.332 2.407 10 0 BEAERO CCC[C@H](C)Cc1nc([C@H](C)C[NH3+])no1 ZINC000309512499 633940158 /nfs/dbraw/zinc/94/01/58/633940158.db2.gz XTJWOJIOBRCEQP-DTWKUNHWSA-N 1 0 211.309 2.111 10 0 BEAERO C[C@@H]([NH2+]C[C@H](O)c1cccnc1)C(C)(C)C ZINC000309595889 633963784 /nfs/dbraw/zinc/96/37/84/633963784.db2.gz WEEVHTWLIDEJGI-PWSUYJOCSA-N 1 0 222.332 2.139 10 0 BEAERO C[C@@H]([NH2+]Cc1ccccc1C1CC1)[C@H](C)O ZINC000309957720 633980544 /nfs/dbraw/zinc/98/05/44/633980544.db2.gz JIBHICOORVZLJN-MNOVXSKESA-N 1 0 219.328 2.423 10 0 BEAERO CC(=O)CC[N@H+](C)CCCOc1ccccc1 ZINC000126988003 636158016 /nfs/dbraw/zinc/15/80/16/636158016.db2.gz MUDQJARPLFDXKM-UHFFFAOYSA-N 1 0 235.327 2.366 10 0 BEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cocn1 ZINC000397988147 634235724 /nfs/dbraw/zinc/23/57/24/634235724.db2.gz NIGJCTXXQZFVAJ-KBPBESRZSA-N 1 0 249.358 2.123 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000123358061 634235967 /nfs/dbraw/zinc/23/59/67/634235967.db2.gz GHSSGMGADNAHAK-JGVFFNPUSA-N 1 0 243.294 2.397 10 0 BEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cocn1 ZINC000397988152 634236609 /nfs/dbraw/zinc/23/66/09/634236609.db2.gz NIGJCTXXQZFVAJ-UONOGXRCSA-N 1 0 249.358 2.123 10 0 BEAERO CC1CCC([NH2+]CCOC2CCOCC2)CC1 ZINC000053590845 634257092 /nfs/dbraw/zinc/25/70/92/634257092.db2.gz AYEACNMISODIGA-UHFFFAOYSA-N 1 0 241.375 2.350 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)[C@@H]1CCSC1 ZINC000054026425 634290094 /nfs/dbraw/zinc/29/00/94/634290094.db2.gz QMOWXDMAYLIFSQ-SNVBAGLBSA-N 1 0 229.389 2.429 10 0 BEAERO CCCc1ccc(NC(=O)C2CC([NH3+])C2)cc1 ZINC000258684322 635187483 /nfs/dbraw/zinc/18/74/83/635187483.db2.gz JNVIWPNWNDHAST-UHFFFAOYSA-N 1 0 232.327 2.315 10 0 BEAERO CC(C)c1ccccc1NC(=O)C1CC([NH3+])C1 ZINC000258747378 635194427 /nfs/dbraw/zinc/19/44/27/635194427.db2.gz NZHPTSLBLXSMFS-UHFFFAOYSA-N 1 0 232.327 2.486 10 0 BEAERO COc1ccc(C[NH2+][C@H](C)[C@@H](C)O)c(Cl)c1 ZINC000336700830 635221374 /nfs/dbraw/zinc/22/13/74/635221374.db2.gz NRPJVUWQSYWFNS-RKDXNWHRSA-N 1 0 243.734 2.208 10 0 BEAERO CCc1cccnc1[C@H](C)[NH2+][C@H](C)[C@@H](C)O ZINC000336751688 635259286 /nfs/dbraw/zinc/25/92/86/635259286.db2.gz CKRQPWQIFQVZKF-OUAUKWLOSA-N 1 0 222.332 2.064 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1ccco1 ZINC000219337558 635274889 /nfs/dbraw/zinc/27/48/89/635274889.db2.gz CDXNAUPLUBGDJA-WCFLWFBJSA-N 1 0 223.316 2.368 10 0 BEAERO CCO[C@@H]1CCC[N@H+](CCC(=O)C(C)(C)C)C1 ZINC000054026760 635332855 /nfs/dbraw/zinc/33/28/55/635332855.db2.gz UXSWJUGSZUDJKO-GFCCVEGCSA-N 1 0 241.375 2.493 10 0 BEAERO c1c(C[C@@H]2CCC[NH2+]C2)onc1C1CC1 ZINC000107242827 635374464 /nfs/dbraw/zinc/37/44/64/635374464.db2.gz GISXZSUSQGTNEL-VIFPVBQESA-N 1 0 206.289 2.094 10 0 BEAERO CCC[C@H](OC)c1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000227311796 635448538 /nfs/dbraw/zinc/44/85/38/635448538.db2.gz LZNNZYNWQSRNMV-ZJUUUORDSA-N 1 0 241.335 2.083 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+]C1CC(OC)C1)CC2 ZINC000230675651 635488476 /nfs/dbraw/zinc/48/84/76/635488476.db2.gz LKCVYDYGVZIUGT-ABIUDSBCSA-N 1 0 247.338 2.450 10 0 BEAERO C[C@@H](C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000675054315 636367726 /nfs/dbraw/zinc/36/77/26/636367726.db2.gz RSINEWZIVGQRFT-GRYCIOLGSA-N 1 0 240.391 2.030 10 0 BEAERO COC(OC)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000079585281 636444562 /nfs/dbraw/zinc/44/45/62/636444562.db2.gz JSQSUKBDHORZCA-MFKMUULPSA-N 1 0 235.327 2.271 10 0 BEAERO COc1ccncc1C[NH2+]CCc1ccccc1 ZINC000310908442 636684610 /nfs/dbraw/zinc/68/46/10/636684610.db2.gz OJNSJFPEBAMZED-UHFFFAOYSA-N 1 0 242.322 2.423 10 0 BEAERO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1O)C1CCC1 ZINC000322876876 636881202 /nfs/dbraw/zinc/88/12/02/636881202.db2.gz XQFCQDDXMCABGV-FRRDWIJNSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)C[C@@H](CO)[NH2+]CCc1ccccc1 ZINC000040773365 636941218 /nfs/dbraw/zinc/94/12/18/636941218.db2.gz KUNRNCAYWFRPBO-AWEZNQCLSA-N 1 0 221.344 2.226 10 0 BEAERO CCCCCCc1nc([C@H](C)C[NH3+])no1 ZINC000164198153 637884920 /nfs/dbraw/zinc/88/49/20/637884920.db2.gz MLQDMZACQWDEDW-SECBINFHSA-N 1 0 211.309 2.255 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc2c1NCCC2 ZINC000149479639 638501346 /nfs/dbraw/zinc/50/13/46/638501346.db2.gz TXDWOUNIQYRRGW-BXUZGUMPSA-N 1 0 246.354 2.312 10 0 BEAERO Cc1cc(NCc2ccccc2F)nc(N)[nH+]1 ZINC000043532531 638516361 /nfs/dbraw/zinc/51/63/61/638516361.db2.gz GSLWJRMXBNLNPI-UHFFFAOYSA-N 1 0 232.262 2.118 10 0 BEAERO C[NH+](C)CCNc1cc2ccccc2[nH]1 ZINC000150116306 639340962 /nfs/dbraw/zinc/34/09/62/639340962.db2.gz HCBGKYVOJRCUKK-UHFFFAOYSA-N 1 0 203.289 2.141 10 0 BEAERO CCCCCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000035689585 639834077 /nfs/dbraw/zinc/83/40/77/639834077.db2.gz IPDCNWXAVIDGJU-NSHDSACASA-N 1 0 226.364 2.071 10 0 BEAERO c1ncc(C[NH2+][C@H]2CCc3ccccc32)[nH]1 ZINC000054763611 640406341 /nfs/dbraw/zinc/40/63/41/640406341.db2.gz ZIVATKRTNCKFGB-ZDUSSCGKSA-N 1 0 213.284 2.187 10 0 BEAERO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cncnc1 ZINC000054767084 640407022 /nfs/dbraw/zinc/40/70/22/640407022.db2.gz HJXAYFBJNSRDKB-AWEZNQCLSA-N 1 0 225.295 2.254 10 0 BEAERO C[C@H]([NH2+]Cc1cncnc1)c1cccs1 ZINC000054767144 640409472 /nfs/dbraw/zinc/40/94/72/640409472.db2.gz OTXVJASWRZYQTE-VIFPVBQESA-N 1 0 219.313 2.389 10 0 BEAERO CC[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000044648325 640445660 /nfs/dbraw/zinc/44/56/60/640445660.db2.gz VPTZQQJUHOYQQB-SSDOTTSWSA-N 1 0 246.763 2.188 10 0 BEAERO C[C@@H]1C[C@H](N[C@@H]2COc3ccccc32)CC[N@@H+]1C ZINC000156584187 640466902 /nfs/dbraw/zinc/46/69/02/640466902.db2.gz MORVBRDGKFHSKX-YRGRVCCFSA-N 1 0 246.354 2.192 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N(C)C)cc1 ZINC000036335563 640501007 /nfs/dbraw/zinc/50/10/07/640501007.db2.gz LQZPTMSVGUMHBB-GXFFZTMASA-N 1 0 249.358 2.065 10 0 BEAERO CCCc1noc(C[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000156907774 640516491 /nfs/dbraw/zinc/51/64/91/640516491.db2.gz VXMVTGVCPNDNPP-QWRGUYRKSA-N 1 0 237.347 2.200 10 0 BEAERO COC(=O)[C@H]1C[N@H+](CCCC(C)C)C[C@H]1C ZINC000166036801 640607296 /nfs/dbraw/zinc/60/72/96/640607296.db2.gz HCDVQVUXUFXHSD-NEPJUHHUSA-N 1 0 227.348 2.164 10 0 BEAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C(C)C)cc1 ZINC000166459199 640643076 /nfs/dbraw/zinc/64/30/76/640643076.db2.gz YHJWCECYRGZTSG-KBPBESRZSA-N 1 0 247.338 2.286 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(CC)cc1 ZINC000166550326 640648180 /nfs/dbraw/zinc/64/81/80/640648180.db2.gz CSOTWLFJCQSDON-ZIAGYGMSSA-N 1 0 247.338 2.115 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12C[C@H](C)CC[C@@H]2C ZINC000166553026 640648384 /nfs/dbraw/zinc/64/83/84/640648384.db2.gz KOFCTUZTHSDJSA-UHXUPSOCSA-N 1 0 239.359 2.211 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(C)c1C ZINC000166604321 640656222 /nfs/dbraw/zinc/65/62/22/640656222.db2.gz CSEUSRWJVWCMKL-KBPBESRZSA-N 1 0 247.338 2.170 10 0 BEAERO c1cnc2c(c1)CC[C@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000226815910 640794376 /nfs/dbraw/zinc/79/43/76/640794376.db2.gz YKWPVWBYKAUWES-QWHCGFSZSA-N 1 0 232.327 2.228 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227651097 640844178 /nfs/dbraw/zinc/84/41/78/640844178.db2.gz XULWLEAZXALLPU-NEPJUHHUSA-N 1 0 248.374 2.448 10 0 BEAERO C[C@@H]([NH3+])[C@H]1COc2cc(F)c(Cl)cc2C1 ZINC000675064388 640962793 /nfs/dbraw/zinc/96/27/93/640962793.db2.gz ZFCHUCQIDNTISV-HTRCEHHLSA-N 1 0 229.682 2.377 10 0 BEAERO CC1([NH2+]CCc2ccccc2)CCOCC1 ZINC000229893999 640992368 /nfs/dbraw/zinc/99/23/68/640992368.db2.gz APIXEJAGBZWBPM-UHFFFAOYSA-N 1 0 219.328 2.388 10 0 BEAERO C[C@H](c1cccc(Cl)c1)[N@@H+](C)[C@@H](C)C(N)=O ZINC000062017024 641015209 /nfs/dbraw/zinc/01/52/09/641015209.db2.gz LZERGYSUKJRHIJ-BDAKNGLRSA-N 1 0 240.734 2.207 10 0 BEAERO CC[NH+](CC)CCCNCc1ccoc1 ZINC000062103265 641020030 /nfs/dbraw/zinc/02/00/30/641020030.db2.gz PWSWZMVLLBKTOE-UHFFFAOYSA-N 1 0 210.321 2.101 10 0 BEAERO c1cc(C[NH2+]Cc2ccc3c(c2)OCO3)co1 ZINC000062103311 641020166 /nfs/dbraw/zinc/02/01/66/641020166.db2.gz AYLXPMAAWJHYII-UHFFFAOYSA-N 1 0 231.251 2.298 10 0 BEAERO C[C@H](CNCc1ccoc1)C[NH+]1CCCCC1 ZINC000062103686 641020746 /nfs/dbraw/zinc/02/07/46/641020746.db2.gz YKDNSLVKGOGLSA-CYBMUJFWSA-N 1 0 236.359 2.491 10 0 BEAERO COC1CC([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000230689252 641087721 /nfs/dbraw/zinc/08/77/21/641087721.db2.gz JCHFEAAPTGHPON-UHFFFAOYSA-N 1 0 245.244 2.371 10 0 BEAERO CC(C)(C)Cc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084468 641127730 /nfs/dbraw/zinc/12/77/30/641127730.db2.gz AKNYOIJTIPMAKJ-JTQLQIEISA-N 1 0 237.347 2.200 10 0 BEAERO C[C@@H]1C[NH+](CCCCCCCO)C[C@@H](C)O1 ZINC000173453525 641178872 /nfs/dbraw/zinc/17/88/72/641178872.db2.gz QXQMYCVGFMAVDQ-CHWSQXEVSA-N 1 0 229.364 2.038 10 0 BEAERO Cc1ccnc(N[C@@H](CC(C)C)C[NH+](C)C)n1 ZINC000061859317 641191595 /nfs/dbraw/zinc/19/15/95/641191595.db2.gz DLGVDNOAHOOTFA-LBPRGKRZSA-N 1 0 236.363 2.173 10 0 BEAERO Cc1cnc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000231739939 641199569 /nfs/dbraw/zinc/19/95/69/641199569.db2.gz NKJLFUAVHLICKJ-ODWCKFRGSA-N 1 0 249.358 2.259 10 0 BEAERO C[C@@H]([NH3+])Cc1nc([C@@H]2CCc3ccccc32)no1 ZINC000087997489 641211304 /nfs/dbraw/zinc/21/13/04/641211304.db2.gz QTPVSUKHVZGENB-BXKDBHETSA-N 1 0 243.310 2.037 10 0 BEAERO Cn1cc(SCC[NH3+])c2ccccc21 ZINC000039392403 641312427 /nfs/dbraw/zinc/31/24/27/641312427.db2.gz MQBVRKQCYYNJIC-UHFFFAOYSA-N 1 0 206.314 2.229 10 0 BEAERO OC[C@@H]1[NH2+]CCOc2c(Cl)cc(Cl)cc21 ZINC000675074457 641324652 /nfs/dbraw/zinc/32/46/52/641324652.db2.gz XQRODNOAWWGEMY-VIFPVBQESA-N 1 0 248.109 2.009 10 0 BEAERO c1cc2c(s1)[C@@H](c1ccncc1)[NH2+]CC2 ZINC000084483335 641357965 /nfs/dbraw/zinc/35/79/65/641357965.db2.gz OJSFUBLAYKCIKY-LLVKDONJSA-N 1 0 216.309 2.378 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@H]2C1CCOCC1 ZINC000084497881 641358762 /nfs/dbraw/zinc/35/87/62/641358762.db2.gz CBQKPPDSSYNWLO-GFCCVEGCSA-N 1 0 223.341 2.362 10 0 BEAERO CC[C@@H](NC(=O)CCCCC[NH3+])C(C)C ZINC000042592712 641554222 /nfs/dbraw/zinc/55/42/22/641554222.db2.gz CJCNMULCVSIDHK-LLVKDONJSA-N 1 0 214.353 2.056 10 0 BEAERO Cc1cc(N(C)Cc2cccc(F)c2)nc(N)[nH+]1 ZINC000043532607 641565281 /nfs/dbraw/zinc/56/52/81/641565281.db2.gz OAFSEIXRDXVVDE-UHFFFAOYSA-N 1 0 246.289 2.143 10 0 BEAERO Cc1cc(N[C@@H]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000043532289 641566481 /nfs/dbraw/zinc/56/64/81/641566481.db2.gz HDYAUZPFJDOXNF-PSASIEDQSA-N 1 0 220.320 2.358 10 0 BEAERO CC(C)[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1C[C@H]1C ZINC000097141821 641603424 /nfs/dbraw/zinc/60/34/24/641603424.db2.gz ZFRCSZDMWCFDTD-BBBLOLIVSA-N 1 0 239.281 2.276 10 0 BEAERO c1cnn(CCC[NH2+]CCc2ccccc2)c1 ZINC000158364482 641633635 /nfs/dbraw/zinc/63/36/35/641633635.db2.gz IYKAPTYSSDDPTI-UHFFFAOYSA-N 1 0 229.327 2.106 10 0 BEAERO C[C@H](C[NH3+])Nc1nc2ccc(F)cc2s1 ZINC000212629739 641660323 /nfs/dbraw/zinc/66/03/23/641660323.db2.gz RZCYWAODQMPDOY-ZCFIWIBFSA-N 1 0 225.292 2.195 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000089385509 641674735 /nfs/dbraw/zinc/67/47/35/641674735.db2.gz KJIUXORQGXDDPD-YPMHNXCESA-N 1 0 232.327 2.390 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000049185473 641713336 /nfs/dbraw/zinc/71/33/36/641713336.db2.gz DBPUTHNUUAAJSS-VHSXEESVSA-N 1 0 240.372 2.361 10 0 BEAERO C/C=C(\CC)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000188194992 641749891 /nfs/dbraw/zinc/74/98/91/641749891.db2.gz RWMKVKZMMBBHDD-FTKQDORFSA-N 1 0 238.375 2.188 10 0 BEAERO CC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000075905339 641778943 /nfs/dbraw/zinc/77/89/43/641778943.db2.gz XKNYRPQFFIONPD-ZDUSSCGKSA-N 1 0 203.285 2.356 10 0 BEAERO CC1(C)C[C@H]1c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000232860667 641880106 /nfs/dbraw/zinc/88/01/06/641880106.db2.gz FOQOXNKCTNISBR-UWVGGRQHSA-N 1 0 235.331 2.125 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC000154660990 642176590 /nfs/dbraw/zinc/17/65/90/642176590.db2.gz QISJDODASPIPMF-CYBMUJFWSA-N 1 0 236.359 2.039 10 0 BEAERO C[C@@H]1C[C@@H](C(F)(F)F)Nc2[nH+]ccn21 ZINC000235276517 642417255 /nfs/dbraw/zinc/41/72/55/642417255.db2.gz SJMNUMNAEJSRIU-RITPCOANSA-N 1 0 205.183 2.191 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252747768 642430711 /nfs/dbraw/zinc/43/07/11/642430711.db2.gz SAZLBCGTMJYDCO-AGIUHOORSA-N 1 0 242.432 2.200 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000233302377 642659085 /nfs/dbraw/zinc/65/90/85/642659085.db2.gz CMUDDHPKWJTWEP-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000306370089 642741792 /nfs/dbraw/zinc/74/17/92/642741792.db2.gz KQGUPZRHCAOXAP-LBPRGKRZSA-N 1 0 209.333 2.478 10 0 BEAERO CCCCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867783 642751610 /nfs/dbraw/zinc/75/16/10/642751610.db2.gz ZNNROWLIQLDTPR-GFCCVEGCSA-N 1 0 226.364 2.119 10 0 BEAERO CC[C@@H](C)c1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000070617940 643052763 /nfs/dbraw/zinc/05/27/63/643052763.db2.gz QCBDIQKPEJLUCQ-LDYMZIIASA-N 1 0 209.293 2.182 10 0 BEAERO COC(OC)[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000070653773 643055755 /nfs/dbraw/zinc/05/57/55/643055755.db2.gz BPUXFJIGNOTLQJ-CXQJBGSLSA-N 1 0 229.364 2.410 10 0 BEAERO CCCc1noc([C@@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000071001604 643092632 /nfs/dbraw/zinc/09/26/32/643092632.db2.gz RJZARWHCQZYYIN-SCZZXKLOSA-N 1 0 211.309 2.109 10 0 BEAERO CCN(c1ccc2ccccc2n1)[C@@H]1CC[NH2+]C1 ZINC000071314450 643124792 /nfs/dbraw/zinc/12/47/92/643124792.db2.gz DIWHNCNGBOYSLJ-CYBMUJFWSA-N 1 0 241.338 2.423 10 0 BEAERO O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000071300090 643128403 /nfs/dbraw/zinc/12/84/03/643128403.db2.gz UQEGKKWHGMESDV-GJZGRUSLSA-N 1 0 231.339 2.425 10 0 BEAERO c1ccc(C[C@@H]2CCO[C@@]3(CCSC3)[NH2+]2)cc1 ZINC000757149082 643332223 /nfs/dbraw/zinc/33/22/23/643332223.db2.gz OOIYJYFOELXNAJ-UONOGXRCSA-N 1 0 249.379 2.441 10 0 BEAERO CC[C@@H](C)c1noc(CCC(C)(C)[NH3+])n1 ZINC000082561194 643343711 /nfs/dbraw/zinc/34/37/11/643343711.db2.gz HRHGBJWIPZQSRW-MRVPVSSYSA-N 1 0 211.309 2.253 10 0 BEAERO C[C@H]([NH3+])CN(C)c1ccc2ccccc2n1 ZINC000082592492 643351181 /nfs/dbraw/zinc/35/11/81/643351181.db2.gz GBPVWQKIWOEAKT-JTQLQIEISA-N 1 0 215.300 2.018 10 0 BEAERO C[C@@H]([NH3+])CN(C)c1ccc2ccccc2n1 ZINC000082592494 643352078 /nfs/dbraw/zinc/35/20/78/643352078.db2.gz GBPVWQKIWOEAKT-SNVBAGLBSA-N 1 0 215.300 2.018 10 0 BEAERO CCCCOCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644570 643358738 /nfs/dbraw/zinc/35/87/38/643358738.db2.gz PTJGNCLFEBBCPY-ZDUSSCGKSA-N 1 0 227.348 2.104 10 0 BEAERO Cc1ccc(C2(C[NH3+])CC(F)(F)C2)cn1 ZINC000757191383 643364618 /nfs/dbraw/zinc/36/46/18/643364618.db2.gz OCBXPMXWXNPBHG-UHFFFAOYSA-N 1 0 212.243 2.016 10 0 BEAERO Cc1nn(-c2cc(C)cc(C)c2)cc1C(N)=[NH2+] ZINC000757192645 643366652 /nfs/dbraw/zinc/36/66/52/643366652.db2.gz YUILBACSYRYSEF-UHFFFAOYSA-N 1 0 228.299 2.082 10 0 BEAERO Cc1cc(-c2ccc(CC[NH3+])cc2)on1 ZINC000082913885 643385430 /nfs/dbraw/zinc/38/54/30/643385430.db2.gz ZMVKMGOBZSZMOA-UHFFFAOYSA-N 1 0 202.257 2.151 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000307174802 643419191 /nfs/dbraw/zinc/41/91/91/643419191.db2.gz FFWVASQYSKPGKC-NZFPMDFQSA-N 1 0 229.414 2.364 10 0 BEAERO c1cc2c([nH]1)CCC[C@@H]2[NH2+]C1CSC1 ZINC000307212684 643422094 /nfs/dbraw/zinc/42/20/94/643422094.db2.gz VZTIOBDCQXVMFX-NSHDSACASA-N 1 0 208.330 2.097 10 0 BEAERO CC(C)[C@@H](C)[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000307274177 643427058 /nfs/dbraw/zinc/42/70/58/643427058.db2.gz MJFPHLGXBDGXKH-NXEZZACHSA-N 1 0 230.352 2.131 10 0 BEAERO C[C@H]1C[C@H](C(F)(F)F)Nc2[nH+]ccn21 ZINC000235591384 643441425 /nfs/dbraw/zinc/44/14/25/643441425.db2.gz SJMNUMNAEJSRIU-NTSWFWBYSA-N 1 0 205.183 2.191 10 0 BEAERO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)[C@H](C)O ZINC000336751686 643458542 /nfs/dbraw/zinc/45/85/42/643458542.db2.gz CKRQPWQIFQVZKF-DCAQKATOSA-N 1 0 222.332 2.064 10 0 BEAERO Cc1ccc(-c2ccc(=O)n(CC[NH3+])c2)cc1C ZINC000049831017 643472126 /nfs/dbraw/zinc/47/21/26/643472126.db2.gz MHZKPDGAZLGCBW-UHFFFAOYSA-N 1 0 242.322 2.091 10 0 BEAERO CCCc1noc(C[C@@H](C[NH3+])CC(C)C)n1 ZINC000083862776 643627595 /nfs/dbraw/zinc/62/75/95/643627595.db2.gz PFTDTSDXUPEBDF-JTQLQIEISA-N 1 0 225.336 2.186 10 0 BEAERO Cc1c(Cl)ccc2c1NC(=O)C[C@@H]2C[NH3+] ZINC000084015903 643643157 /nfs/dbraw/zinc/64/31/57/643643157.db2.gz WMSBVRQKUDCLCF-SSDOTTSWSA-N 1 0 224.691 2.033 10 0 BEAERO CCC(CC)(CO)[NH2+]CCc1ccccc1 ZINC000053046784 643654525 /nfs/dbraw/zinc/65/45/25/643654525.db2.gz QBQVJLKWVVFRSV-UHFFFAOYSA-N 1 0 221.344 2.370 10 0 BEAERO CC(C)c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084305433 643658169 /nfs/dbraw/zinc/65/81/69/643658169.db2.gz DONYDMCVDYVFJP-IUCAKERBSA-N 1 0 209.293 2.035 10 0 BEAERO Nc1ccc([C@@H]2CCn3cc[nH+]c3N2)cc1 ZINC000236394090 643664577 /nfs/dbraw/zinc/66/45/77/643664577.db2.gz HWOMPYRANOBZBS-NSHDSACASA-N 1 0 214.272 2.022 10 0 BEAERO C[NH2+]CCc1noc(-c2sccc2Cl)n1 ZINC000087722529 643669391 /nfs/dbraw/zinc/66/93/91/643669391.db2.gz YWZCEWZUFLSVND-UHFFFAOYSA-N 1 0 243.719 2.213 10 0 BEAERO CC(=O)[C@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000085161808 643688893 /nfs/dbraw/zinc/68/88/93/643688893.db2.gz RBJCSCPLKGVPNX-ZDUSSCGKSA-N 1 0 249.358 2.265 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000050369725 643690680 /nfs/dbraw/zinc/69/06/80/643690680.db2.gz LQNOEVVJBWAIPM-NWDGAFQWSA-N 1 0 209.333 2.332 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000050369041 643691193 /nfs/dbraw/zinc/69/11/93/643691193.db2.gz GMJPRUHAHJOXOQ-KBPBESRZSA-N 1 0 219.328 2.386 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000050369730 643691278 /nfs/dbraw/zinc/69/12/78/643691278.db2.gz LQNOEVVJBWAIPM-NEPJUHHUSA-N 1 0 209.333 2.332 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000050369729 643691348 /nfs/dbraw/zinc/69/13/48/643691348.db2.gz LQNOEVVJBWAIPM-VXGBXAGGSA-N 1 0 209.333 2.332 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCOCCC(C)C ZINC000050372683 643693733 /nfs/dbraw/zinc/69/37/33/643693733.db2.gz XGNOOUZKCQSZLB-QWHCGFSZSA-N 1 0 229.364 2.206 10 0 BEAERO CO[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC000050372898 643693768 /nfs/dbraw/zinc/69/37/68/643693768.db2.gz SEUAPGWULGQCKM-CHWSQXEVSA-N 1 0 241.375 2.229 10 0 BEAERO CCn1c(C)nnc1C[NH+]1CCCCCCC1 ZINC000195011704 644354627 /nfs/dbraw/zinc/35/46/27/644354627.db2.gz AMVCAADYSCXUNT-UHFFFAOYSA-N 1 0 236.363 2.373 10 0 BEAERO FC(F)(F)OCC[NH2+]CCc1ccccc1 ZINC000084177636 644417079 /nfs/dbraw/zinc/41/70/79/644417079.db2.gz ZCCHJAMQWUACEN-UHFFFAOYSA-N 1 0 233.233 2.355 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(C2CC2)no1 ZINC000084300332 644422687 /nfs/dbraw/zinc/42/26/87/644422687.db2.gz SBGNIQYYRJHKRJ-UWVGGRQHSA-N 1 0 221.304 2.180 10 0 BEAERO CC(C)c1noc([C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000084300292 644423811 /nfs/dbraw/zinc/42/38/11/644423811.db2.gz IROUWNCVTHENAA-VHSXEESVSA-N 1 0 223.320 2.426 10 0 BEAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(C)cc1 ZINC000091542509 644628612 /nfs/dbraw/zinc/62/86/12/644628612.db2.gz WKQHJVCZIMFYEM-CHWSQXEVSA-N 1 0 246.354 2.475 10 0 BEAERO Cc1nc2ccccc2nc1NCC1CC([NH3+])C1 ZINC000091538968 644629717 /nfs/dbraw/zinc/62/97/17/644629717.db2.gz VYUDQBPEZCKPKH-UHFFFAOYSA-N 1 0 242.326 2.087 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[Si](C)(C)C ZINC000247412936 644636538 /nfs/dbraw/zinc/63/65/38/644636538.db2.gz QFWHMZDEYUUIFP-NEPJUHHUSA-N 1 0 226.440 2.032 10 0 BEAERO C[C@@H]1C[C@@H]1c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000252129954 644836547 /nfs/dbraw/zinc/83/65/47/644836547.db2.gz LWPPHZDTQKJINJ-IMSYWVGJSA-N 1 0 221.304 2.035 10 0 BEAERO CC/C=C\Cc1nc(CC2CC[NH+](C)CC2)no1 ZINC000096822544 644840671 /nfs/dbraw/zinc/84/06/71/644840671.db2.gz ACUCWHVPASRYCU-PLNGDYQASA-N 1 0 249.358 2.463 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000252417839 644848785 /nfs/dbraw/zinc/84/87/85/644848785.db2.gz UWGHPCCIHJGUPO-GRYCIOLGSA-N 1 0 228.380 2.445 10 0 BEAERO Cc1cccc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)n1 ZINC000097068366 644868464 /nfs/dbraw/zinc/86/84/64/644868464.db2.gz GCZAJARRYQIJPV-UWVGGRQHSA-N 1 0 244.298 2.035 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@@H]1C ZINC000304165984 644873930 /nfs/dbraw/zinc/87/39/30/644873930.db2.gz JIMCUJOJVXXIST-FRRDWIJNSA-N 1 0 241.375 2.410 10 0 BEAERO C[C@H](Cc1ccco1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304283713 644886344 /nfs/dbraw/zinc/88/63/44/644886344.db2.gz XUCKSBVDCRXHHR-ZYHUDNBSSA-N 1 0 225.332 2.207 10 0 BEAERO C[C@@H](Cc1ccco1)[NH2+]C[C@H](O)C(C)(C)C ZINC000304283709 644886768 /nfs/dbraw/zinc/88/67/68/644886768.db2.gz XUCKSBVDCRXHHR-JQWIXIFHSA-N 1 0 225.332 2.207 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncc(Cl)cc1F ZINC000129552563 645841344 /nfs/dbraw/zinc/84/13/44/645841344.db2.gz QTRLXCXQOIDVRE-OIBJUYFYSA-N 1 0 243.713 2.427 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1Nc1ccc(Cl)cn1 ZINC000721932841 711939766 /nfs/dbraw/zinc/93/97/66/711939766.db2.gz VOEGXTXCISWIHU-SECBINFHSA-N 1 0 225.723 2.145 10 0 BEAERO CC1(C)C[C@@H]1c1noc(C2=CC[C@H]([NH3+])C2)n1 ZINC000702225916 712043326 /nfs/dbraw/zinc/04/33/26/712043326.db2.gz DEACBAALYGMPEV-DTWKUNHWSA-N 1 0 219.288 2.088 10 0 BEAERO CCC[C@@H](C)N1CCc2sc(C[NH3+])nc2C1 ZINC000709754603 712217715 /nfs/dbraw/zinc/21/77/15/712217715.db2.gz KMNUBQMZVOKQIA-SECBINFHSA-N 1 0 239.388 2.149 10 0 BEAERO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)OC1 ZINC000711376899 712296369 /nfs/dbraw/zinc/29/63/69/712296369.db2.gz LMIBLCZFTKZQDK-YNEHKIRRSA-N 1 0 241.375 2.085 10 0 BEAERO COC1CC([NH2+]Cc2ccsc2C)C1 ZINC000379496866 712386668 /nfs/dbraw/zinc/38/66/68/712386668.db2.gz DVZBCLZMYXJRMI-UHFFFAOYSA-N 1 0 211.330 2.324 10 0 BEAERO CCC[C@@H]1C[C@H]1NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713097940 712452307 /nfs/dbraw/zinc/45/23/07/712452307.db2.gz GHRYYGJNWRQESC-IJLUTSLNSA-N 1 0 240.391 2.301 10 0 BEAERO COCC1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000714007612 712477533 /nfs/dbraw/zinc/47/75/33/712477533.db2.gz MPTHSFZBCRDHSS-UHFFFAOYSA-N 1 0 246.763 2.311 10 0 BEAERO CCCn1cc([C@@H](C)[NH2+][C@H](C)C(C)C)nn1 ZINC000715849116 712535857 /nfs/dbraw/zinc/53/58/57/712535857.db2.gz DOLLJINYTCZVIY-GHMZBOCLSA-N 1 0 224.352 2.383 10 0 BEAERO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716686252 712569804 /nfs/dbraw/zinc/56/98/04/712569804.db2.gz WNEHRAXTDMDHKX-HBIQZDMRSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@@H](C[C@@H](C)O)[NH2+]CCc1ccccc1 ZINC000716955333 712599877 /nfs/dbraw/zinc/59/98/77/712599877.db2.gz PVHIFNCJOCVOPC-OCCSQVGLSA-N 1 0 221.344 2.368 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717050616 712625460 /nfs/dbraw/zinc/62/54/60/712625460.db2.gz OCGYRZIQXKVPDM-RYMFRWLXSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000380063445 712684495 /nfs/dbraw/zinc/68/44/95/712684495.db2.gz BJUHHCLIEZZDQA-WOPDTQHZSA-N 1 0 209.333 2.191 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2cc(C)co2)C1 ZINC000718034750 712737275 /nfs/dbraw/zinc/73/72/75/712737275.db2.gz FLAXWOZFTMNMLE-LBPRGKRZSA-N 1 0 222.332 2.162 10 0 BEAERO Cc1coc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000718147190 712748453 /nfs/dbraw/zinc/74/84/53/712748453.db2.gz WIJUNRVXLJWZGO-JQWIXIFHSA-N 1 0 209.289 2.245 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000718786749 712783025 /nfs/dbraw/zinc/78/30/25/712783025.db2.gz HFTDMZJTUXBXKG-RFQIPJPRSA-N 1 0 241.375 2.227 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)CC2)C1 ZINC000718800763 712783440 /nfs/dbraw/zinc/78/34/40/712783440.db2.gz MNKVNECCEXMSNP-HZSPNIEDSA-N 1 0 240.391 2.018 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000718838601 712785230 /nfs/dbraw/zinc/78/52/30/712785230.db2.gz BMYRVTYFWSRWBA-XJFOESAGSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCCC1(C)C)C(=O)NC ZINC000719267125 712802440 /nfs/dbraw/zinc/80/24/40/712802440.db2.gz MFYOWOBWUIOKAU-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCCCCC1(C)C)C(=O)NC ZINC000719267123 712802629 /nfs/dbraw/zinc/80/26/29/712802629.db2.gz MFYOWOBWUIOKAU-NEPJUHHUSA-N 1 0 240.391 2.460 10 0 BEAERO C[NH2+]CCN(c1cc(C(C)C)ncn1)C(C)C ZINC000720791633 712865910 /nfs/dbraw/zinc/86/59/10/712865910.db2.gz PVSFRKCGEOWNQE-UHFFFAOYSA-N 1 0 236.363 2.034 10 0 BEAERO C[NH2+]C[C@H](C)c1noc([C@H]2CCC[C@H]2C)n1 ZINC000721049682 712888513 /nfs/dbraw/zinc/88/85/13/712888513.db2.gz FYWNLQFERPZODX-UTLUCORTSA-N 1 0 223.320 2.296 10 0 BEAERO COC[C@H](C[N@@H+]1CCC[C@@H]1CCCO)C(C)C ZINC000721968112 710695095 /nfs/dbraw/zinc/69/50/95/710695095.db2.gz RJBYURNKUOGNRM-UONOGXRCSA-N 1 0 243.391 2.142 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000723570057 710729205 /nfs/dbraw/zinc/72/92/05/710729205.db2.gz FMQTUTJCJKQHMB-CXQJBGSLSA-N 1 0 209.333 2.070 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000723570058 710729291 /nfs/dbraw/zinc/72/92/91/710729291.db2.gz FMQTUTJCJKQHMB-MOENNCHZSA-N 1 0 209.333 2.070 10 0 BEAERO CC[C@@H]([NH2+]CC1CC(OC)C1)[C@@H]1CCCOC1 ZINC000723954301 710734344 /nfs/dbraw/zinc/73/43/44/710734344.db2.gz HVCQUIVLGIDYNW-FKZOYECMSA-N 1 0 241.375 2.206 10 0 BEAERO Cc1cnc(C[NH2+]C2CCC(O)CC2)c(C)c1 ZINC000724041575 710736234 /nfs/dbraw/zinc/73/62/34/710736234.db2.gz GFLWGNYFJZNKGX-UHFFFAOYSA-N 1 0 234.343 2.092 10 0 BEAERO Cc1cnc(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000724048032 710736924 /nfs/dbraw/zinc/73/69/24/710736924.db2.gz LELYEXBSHXDHJL-KBPBESRZSA-N 1 0 247.386 2.319 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2cccc(Cl)n2)C1 ZINC000724076076 710736957 /nfs/dbraw/zinc/73/69/57/710736957.db2.gz RYRKTTKITNNTDV-IUCAKERBSA-N 1 0 225.723 2.274 10 0 BEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C(C)(C)C1 ZINC000380564020 712901641 /nfs/dbraw/zinc/90/16/41/712901641.db2.gz NQYXUZFWZYJMKY-SDDRHHMPSA-N 1 0 238.375 2.008 10 0 BEAERO COC[C@H](C[N@@H+]1CCC[C@H]1CCCO)C(C)C ZINC000721968110 710696393 /nfs/dbraw/zinc/69/63/93/710696393.db2.gz RJBYURNKUOGNRM-KBPBESRZSA-N 1 0 243.391 2.142 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000037148546 711480549 /nfs/dbraw/zinc/48/05/49/711480549.db2.gz MHYANPWCTJRESC-GHMZBOCLSA-N 1 0 236.363 2.311 10 0 BEAERO CCN(CC)C[C@H](C)[NH2+]CC1(O)CCCCC1 ZINC000045704486 711488200 /nfs/dbraw/zinc/48/82/00/711488200.db2.gz FALNRTZSOYFMLG-ZDUSSCGKSA-N 1 0 242.407 2.002 10 0 BEAERO COC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000714449415 711505908 /nfs/dbraw/zinc/50/59/08/711505908.db2.gz PGLOCBNZFMBLBL-OKILXGFUSA-N 1 0 219.328 2.244 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000308282189 711520570 /nfs/dbraw/zinc/52/05/70/711520570.db2.gz XJYNBDJRXSTUFI-NKWVEPMBSA-N 1 0 219.737 2.260 10 0 BEAERO Cc1c[nH+]ccc1N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000723870044 711540871 /nfs/dbraw/zinc/54/08/71/711540871.db2.gz XBILHJZVWJJPDY-DZGCQCFKSA-N 1 0 246.354 2.429 10 0 BEAERO CC(C)c1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)ncn1 ZINC000723914449 711544969 /nfs/dbraw/zinc/54/49/69/711544969.db2.gz DBNSDJJZAYMRMZ-VXGBXAGGSA-N 1 0 248.374 2.021 10 0 BEAERO COCC[C@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724026388 711556693 /nfs/dbraw/zinc/55/66/93/711556693.db2.gz ZDKJDHHLONCFJZ-LBPRGKRZSA-N 1 0 222.332 2.213 10 0 BEAERO COC[C@@H]([NH2+]Cc1ncc(C)cc1C)C1CC1 ZINC000724043112 711557389 /nfs/dbraw/zinc/55/73/89/711557389.db2.gz LBACLYLPOVJBBS-CQSZACIVSA-N 1 0 234.343 2.213 10 0 BEAERO COCC[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000134787347 711558729 /nfs/dbraw/zinc/55/87/29/711558729.db2.gz DXCRXTBGTKQCSS-NSHDSACASA-N 1 0 223.316 2.301 10 0 BEAERO CC[C@H]1C[C@H]([NH2+]Cc2ncc(C)cc2C)CO1 ZINC000724098709 711560536 /nfs/dbraw/zinc/56/05/36/711560536.db2.gz UMAPZKOACBITCS-STQMWFEESA-N 1 0 234.343 2.356 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717274567 711594642 /nfs/dbraw/zinc/59/46/42/711594642.db2.gz QUDGFFVDMHNYRF-VXGBXAGGSA-N 1 0 243.391 2.188 10 0 BEAERO CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)[C@@H]1CC1(C)C ZINC000724872831 711621760 /nfs/dbraw/zinc/62/17/60/711621760.db2.gz RCVJMIDKXFBZPH-WUHRBBMRSA-N 1 0 241.375 2.205 10 0 BEAERO OC1CC2(C[C@H]2[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000724968096 711638433 /nfs/dbraw/zinc/63/84/33/711638433.db2.gz ZPAPBUSCJNORMN-INTODGSJSA-N 1 0 229.323 2.177 10 0 BEAERO [NH3+]CCCCCCNc1ncccc1F ZINC000236170184 711672330 /nfs/dbraw/zinc/67/23/30/711672330.db2.gz WYRPBVSLXRGJIR-UHFFFAOYSA-N 1 0 211.284 2.152 10 0 BEAERO CCc1ccc(CC[NH2+]C(C)(C)CO)cc1 ZINC000258721817 711741642 /nfs/dbraw/zinc/74/16/42/711741642.db2.gz DOFYHRBAUIXZFT-UHFFFAOYSA-N 1 0 221.344 2.152 10 0 BEAERO Cc1ccc(F)c(-c2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158522 711766200 /nfs/dbraw/zinc/76/62/00/711766200.db2.gz GOBIXZMAHNHZBP-MRVPVSSYSA-N 1 0 235.262 2.246 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000721246248 711794416 /nfs/dbraw/zinc/79/44/16/711794416.db2.gz QRNOVWZLDBBHGV-IGQOVBAYSA-N 1 0 241.375 2.491 10 0 BEAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2)CC(C)(C)C1 ZINC000042544737 711808597 /nfs/dbraw/zinc/80/85/97/711808597.db2.gz CSOSQKHYJAWVTP-YNEHKIRRSA-N 1 0 224.392 2.495 10 0 BEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2)CC(C)(C)C1 ZINC000042544733 711808690 /nfs/dbraw/zinc/80/86/90/711808690.db2.gz CSOSQKHYJAWVTP-XQQFMLRXSA-N 1 0 224.392 2.495 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1Nc1ccnc2ncccc12 ZINC000721974229 711854961 /nfs/dbraw/zinc/85/49/61/711854961.db2.gz LIBLPMQBGZSCPB-GFCCVEGCSA-N 1 0 242.326 2.040 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1Nc1nc2ccccc2o1 ZINC000721986636 711861362 /nfs/dbraw/zinc/86/13/62/711861362.db2.gz XYXDQEWGLLUCDW-NSHDSACASA-N 1 0 231.299 2.238 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705553848 711906278 /nfs/dbraw/zinc/90/62/78/711906278.db2.gz GNLYZDGRNFBGFQ-NKWVEPMBSA-N 1 0 249.688 2.477 10 0 BEAERO C[C@H]([NH2+]CC(C)(C)O)[C@@]12C[C@@H]1CCCC2 ZINC000709074660 711977160 /nfs/dbraw/zinc/97/71/60/711977160.db2.gz DCYAYRSRPIKWOC-GMXVVIOVSA-N 1 0 211.349 2.316 10 0 BEAERO c1ccc(CC[NH2+]CCOC2CCOCC2)cc1 ZINC000701374878 712021350 /nfs/dbraw/zinc/02/13/50/712021350.db2.gz SNIBCAJMOCLXHE-UHFFFAOYSA-N 1 0 249.354 2.014 10 0 BEAERO CC(C)(C)Cc1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701605213 712026162 /nfs/dbraw/zinc/02/61/62/712026162.db2.gz JPVJJOGCOGATQE-HZMBPMFUSA-N 1 0 249.358 2.299 10 0 BEAERO CCO[C@H]1CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000701671749 712026590 /nfs/dbraw/zinc/02/65/90/712026590.db2.gz HIMPIUOCZVOCPA-LSDHHAIUSA-N 1 0 249.354 2.005 10 0 BEAERO Cc1c(C[NH2+]C[C@]2(C)CC2(C)C)cnn1C ZINC000701983279 712034687 /nfs/dbraw/zinc/03/46/87/712034687.db2.gz HEPFTTADOBUJDF-ZDUSSCGKSA-N 1 0 221.348 2.254 10 0 BEAERO CC1(C)C[C@@]1(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000702392850 712049984 /nfs/dbraw/zinc/04/99/84/712049984.db2.gz AXFXRFYNLRIJIP-WZRBSPASSA-N 1 0 211.349 2.316 10 0 BEAERO C(c1noc([C@@H]2C[C@H]2C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000705195165 712126201 /nfs/dbraw/zinc/12/62/01/712126201.db2.gz CQPIJRBVYLQUDG-ZMLRMANQSA-N 1 0 247.342 2.125 10 0 BEAERO O[C@H](C[N@@H+]1C[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000706782455 712155256 /nfs/dbraw/zinc/15/52/56/712155256.db2.gz BKLGRIJUNVIROX-HZSPNIEDSA-N 1 0 217.312 2.204 10 0 BEAERO O[C@H](C[N@@H+]1C[C@H]2CCC[C@H]21)c1ccccc1 ZINC000706782482 712155591 /nfs/dbraw/zinc/15/55/91/712155591.db2.gz BKLGRIJUNVIROX-MGPQQGTHSA-N 1 0 217.312 2.204 10 0 BEAERO CC[C@H]1C[C@@H]([NH2+]C2CC(SC)C2)CO1 ZINC000706955311 712162828 /nfs/dbraw/zinc/16/28/28/712162828.db2.gz FOWQUJKIYJQRTF-WIFZPCQCSA-N 1 0 215.362 2.038 10 0 BEAERO COCc1ccc(C[NH2+]C2CC(SC)C2)o1 ZINC000708250121 712184915 /nfs/dbraw/zinc/18/49/15/712184915.db2.gz UUOZIPZHNAIFAM-UHFFFAOYSA-N 1 0 241.356 2.410 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708426694 712194030 /nfs/dbraw/zinc/19/40/30/712194030.db2.gz NMNUYFUQJLFPMF-OLZOCXBDSA-N 1 0 239.359 2.103 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CC(C)(C)C1 ZINC000708817161 712199191 /nfs/dbraw/zinc/19/91/91/712199191.db2.gz AWENPLUOTKRPEG-WNYYMSAVSA-N 1 0 238.375 2.055 10 0 BEAERO CCCCCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708942247 712203156 /nfs/dbraw/zinc/20/31/56/712203156.db2.gz BMLCGBXDVQGCGU-OLZOCXBDSA-N 1 0 228.380 2.005 10 0 BEAERO C(c1noc([C@]23C[C@H]2CCC3)n1)[C@@H]1CCC[NH2+]C1 ZINC000710555395 712226996 /nfs/dbraw/zinc/22/69/96/712226996.db2.gz DRJNRNAHHNBWPO-MISXGVKJSA-N 1 0 247.342 2.053 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cn(C)cn1 ZINC000709988433 712238162 /nfs/dbraw/zinc/23/81/62/712238162.db2.gz YXRCNGDRVYFPQC-MXWKQRLJSA-N 1 0 207.321 2.259 10 0 BEAERO CC1CC(C(=O)N(C)CCCCCC[NH3+])C1 ZINC000710694778 712254914 /nfs/dbraw/zinc/25/49/14/712254914.db2.gz QNHVBMRWAKSSDD-UHFFFAOYSA-N 1 0 226.364 2.010 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710670319 712265215 /nfs/dbraw/zinc/26/52/15/712265215.db2.gz KTNFCNLVGVJTTJ-CMPLNLGQSA-N 1 0 240.372 2.093 10 0 BEAERO CC(C)(C)Cc1noc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000711091462 712279732 /nfs/dbraw/zinc/27/97/32/712279732.db2.gz VAKCUWKWHGNUJY-SECBINFHSA-N 1 0 237.347 2.371 10 0 BEAERO C[C@](O)(C[N@@H+]1CC[C@@H](CF)C1)c1ccccc1 ZINC000711466154 712302509 /nfs/dbraw/zinc/30/25/09/712302509.db2.gz DYSBBPQKKXPZSO-JSGCOSHPSA-N 1 0 237.318 2.186 10 0 BEAERO C[C@H]([NH2+]Cc1nccn1C1CC1)C1CC1 ZINC000711783271 712329598 /nfs/dbraw/zinc/32/95/98/712329598.db2.gz MGBBAMSBADSEMW-VIFPVBQESA-N 1 0 205.305 2.106 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712406380 712429289 /nfs/dbraw/zinc/42/92/89/712429289.db2.gz DXODEKDCCXGHCK-ODXJTPSBSA-N 1 0 223.360 2.458 10 0 BEAERO CC[N@@H+]1CC[C@H]1CNc1nccnc1C(C)C ZINC000712590682 712435133 /nfs/dbraw/zinc/43/51/33/712435133.db2.gz FAFKZVYIXRLZTH-NSHDSACASA-N 1 0 234.347 2.106 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712676491 712440361 /nfs/dbraw/zinc/44/03/61/712440361.db2.gz VJWXRJAVNNFDRC-FRRDWIJNSA-N 1 0 225.376 2.419 10 0 BEAERO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000713062615 712452071 /nfs/dbraw/zinc/45/20/71/712452071.db2.gz CEPISAXTKRGWFT-WNYYMSAVSA-N 1 0 238.375 2.055 10 0 BEAERO CCCc1noc(C(C)(C)[C@H]([NH3+])C(C)C)n1 ZINC000713083223 712452282 /nfs/dbraw/zinc/45/22/82/712452282.db2.gz MSGZYGCJSRPLLN-SNVBAGLBSA-N 1 0 225.336 2.283 10 0 BEAERO C=C/C=C/CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000713739897 712470533 /nfs/dbraw/zinc/47/05/33/712470533.db2.gz RLUZCAWUIURDIU-CTXXGXLOSA-N 1 0 220.360 2.287 10 0 BEAERO C=C/C=C\CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000713742868 712471018 /nfs/dbraw/zinc/47/10/18/712471018.db2.gz COWNLAIEWBTRFG-VQTKUKTRSA-N 1 0 220.360 2.289 10 0 BEAERO C=C/C=C/CC[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000713748921 712471179 /nfs/dbraw/zinc/47/11/79/712471179.db2.gz SPAMVGNHRFMPCW-ZYOFXKKJSA-N 1 0 223.316 2.004 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C[C@@H]2CCCC2(F)F)n1 ZINC000713932114 712473757 /nfs/dbraw/zinc/47/37/57/712473757.db2.gz SWBUCYKMDBTUMI-YUMQZZPRSA-N 1 0 245.273 2.110 10 0 BEAERO COCC1CC([NH2+]Cc2ccc(C)o2)C1 ZINC000713994341 712476670 /nfs/dbraw/zinc/47/66/70/712476670.db2.gz AEAXSYDCBBOHED-UHFFFAOYSA-N 1 0 209.289 2.103 10 0 BEAERO CCC1([NH3+])CCN([C@@H](C)c2nccs2)CC1 ZINC000714757854 712497735 /nfs/dbraw/zinc/49/77/35/712497735.db2.gz LCVPWVVCTYZVOP-JTQLQIEISA-N 1 0 239.388 2.407 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2ccnc(C(F)(F)F)c2)C1 ZINC000715086040 712507458 /nfs/dbraw/zinc/50/74/58/712507458.db2.gz OKDQEVGWFXJKLD-OCAPTIKFSA-N 1 0 245.248 2.250 10 0 BEAERO CCCCCC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000037041804 712530749 /nfs/dbraw/zinc/53/07/49/712530749.db2.gz DMXOVKFZIRVZKD-OLZOCXBDSA-N 1 0 240.391 2.461 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715829293 712534061 /nfs/dbraw/zinc/53/40/61/712534061.db2.gz YQQYGUOSNMRCFZ-IJLUTSLNSA-N 1 0 229.389 2.165 10 0 BEAERO CCCn1cc([C@H](C)[NH2+][C@H](C)C(C)C)nn1 ZINC000715849117 712536014 /nfs/dbraw/zinc/53/60/14/712536014.db2.gz DOLLJINYTCZVIY-MNOVXSKESA-N 1 0 224.352 2.383 10 0 BEAERO CCC1CCC([NH2+][C@@H](C)c2cn(C)nn2)CC1 ZINC000715879553 712539030 /nfs/dbraw/zinc/53/90/30/712539030.db2.gz TUWCITYILKYBLD-UNXYVOJBSA-N 1 0 236.363 2.435 10 0 BEAERO C[C@H]([NH2+]CC1CC2(CCC2)C1)c1cn(C)nn1 ZINC000715935957 712544226 /nfs/dbraw/zinc/54/42/26/712544226.db2.gz AWBMZRVNGLMFQF-JTQLQIEISA-N 1 0 234.347 2.046 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCCC1CC1 ZINC000716398895 712558102 /nfs/dbraw/zinc/55/81/02/712558102.db2.gz QOOWMWPMBXTDRZ-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cnn1C ZINC000716580195 712564159 /nfs/dbraw/zinc/56/41/59/712564159.db2.gz SYTWBNOBGXSERP-MWQHPAIMSA-N 1 0 233.359 2.110 10 0 BEAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000716578461 712564250 /nfs/dbraw/zinc/56/42/50/712564250.db2.gz BCOALLHEUDVRRG-UJPOAAIJSA-N 1 0 225.376 2.275 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cnn1C ZINC000716580198 712564273 /nfs/dbraw/zinc/56/42/73/712564273.db2.gz SYTWBNOBGXSERP-OJDJGZDQSA-N 1 0 233.359 2.110 10 0 BEAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000716578458 712564284 /nfs/dbraw/zinc/56/42/84/712564284.db2.gz BCOALLHEUDVRRG-SJHCENCUSA-N 1 0 225.376 2.275 10 0 BEAERO CC(C)[C@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716685719 712569849 /nfs/dbraw/zinc/56/98/49/712569849.db2.gz UPHKAQWXYFBQGK-QCXCNERSSA-N 1 0 238.375 2.055 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C2CC(C(N)=O)C2)cc1C ZINC000716723856 712571188 /nfs/dbraw/zinc/57/11/88/712571188.db2.gz RNOKWGJQHQQRFX-XGNXJENSSA-N 1 0 246.354 2.218 10 0 BEAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(C)cc1 ZINC000716724340 712571193 /nfs/dbraw/zinc/57/11/93/712571193.db2.gz VRJGSKSPEQLWAC-JXQTWKCFSA-N 1 0 246.354 2.300 10 0 BEAERO CC(=O)[C@@H]1CCC[N@@H+](CCSC(C)C)C1 ZINC000379929262 712631553 /nfs/dbraw/zinc/63/15/53/712631553.db2.gz VHPXKESXYUAARK-GFCCVEGCSA-N 1 0 229.389 2.429 10 0 BEAERO CC(C)[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717155510 712638161 /nfs/dbraw/zinc/63/81/61/712638161.db2.gz OJZWZKNUIRENTM-IVZWLZJFSA-N 1 0 238.297 2.242 10 0 BEAERO Cc1coc(C[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000718044362 712738367 /nfs/dbraw/zinc/73/83/67/712738367.db2.gz NQVINKGIDWOAOG-AAEUAGOBSA-N 1 0 223.316 2.229 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C1CCC=CCC1 ZINC000718114298 712744066 /nfs/dbraw/zinc/74/40/66/712744066.db2.gz GULKBTAEUCLVPC-CHWSQXEVSA-N 1 0 209.333 2.378 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000718792798 712784143 /nfs/dbraw/zinc/78/41/43/712784143.db2.gz VADMOLNNVXAUQX-IGQOVBAYSA-N 1 0 241.375 2.491 10 0 BEAERO CC(C)Oc1cncc(-c2ncc(C[NH3+])s2)c1 ZINC000718819472 712784253 /nfs/dbraw/zinc/78/42/53/712784253.db2.gz LOMGWAXQMDAUOK-UHFFFAOYSA-N 1 0 249.339 2.451 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2ccnc3ncccc23)C1 ZINC000718929993 712788296 /nfs/dbraw/zinc/78/82/96/712788296.db2.gz LBEHIQKUAAJJGQ-WDEREUQCSA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccnc2ncccc12 ZINC000718981398 712791125 /nfs/dbraw/zinc/79/11/25/712791125.db2.gz JDSVMILPNWJWHS-ZYHUDNBSSA-N 1 0 242.326 2.169 10 0 BEAERO c1cnc2nccc(NCC3CC[NH2+]CC3)c2c1 ZINC000718981471 712791129 /nfs/dbraw/zinc/79/11/29/712791129.db2.gz JQHVVVBKTFIQBZ-UHFFFAOYSA-N 1 0 242.326 2.041 10 0 BEAERO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc2c(c1)CCO2 ZINC000038006369 712798695 /nfs/dbraw/zinc/79/86/95/712798695.db2.gz OFDJMPQJZGXMSL-SNVBAGLBSA-N 1 0 243.310 2.195 10 0 BEAERO CNC(=O)C[C@@H](C)[NH2+][C@H]1CCCCCC1(C)C ZINC000719191405 712799336 /nfs/dbraw/zinc/79/93/36/712799336.db2.gz SQDBGJHBLPRWMG-NEPJUHHUSA-N 1 0 240.391 2.460 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000719224421 712800852 /nfs/dbraw/zinc/80/08/52/712800852.db2.gz HLTGRUUNAQQKTD-STQMWFEESA-N 1 0 241.375 2.350 10 0 BEAERO CN(C)C(=O)CC[NH2+][C@H]1CCCCCC1(C)C ZINC000719228573 712800855 /nfs/dbraw/zinc/80/08/55/712800855.db2.gz UWFIBPORUKQWCB-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO COC[C@@H](O)CC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719236831 712800867 /nfs/dbraw/zinc/80/08/67/712800867.db2.gz LRLWBEHGRWAEMQ-QWHCGFSZSA-N 1 0 243.391 2.332 10 0 BEAERO [NH3+]C[C@@H]1CCN(C[C@@H]2CCCO2)c2ccccc21 ZINC000719530049 712808569 /nfs/dbraw/zinc/80/85/69/712808569.db2.gz HRFMZOPBNLJAPU-STQMWFEESA-N 1 0 246.354 2.118 10 0 BEAERO C[NH2+]CCCCc1nc(CC(C)(C)C)no1 ZINC000719680456 712821869 /nfs/dbraw/zinc/82/18/69/712821869.db2.gz WOQNEXUCILBTRN-UHFFFAOYSA-N 1 0 225.336 2.200 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000722086453 712831207 /nfs/dbraw/zinc/83/12/07/712831207.db2.gz CRRLCLIQOJZUBJ-LBPRGKRZSA-N 1 0 225.332 2.047 10 0 BEAERO Cc1conc1CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000720365528 712836347 /nfs/dbraw/zinc/83/63/47/712836347.db2.gz CCDSJSXBHQSCNH-OLZOCXBDSA-N 1 0 249.358 2.042 10 0 BEAERO CC(C)C[C@@H](C)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720584375 712854536 /nfs/dbraw/zinc/85/45/36/712854536.db2.gz RAWIRTGUIMJDDC-MNOVXSKESA-N 1 0 224.352 2.148 10 0 BEAERO CCCC[C@@H](CC)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720584742 712854640 /nfs/dbraw/zinc/85/46/40/712854640.db2.gz UZBGKHPXAAPGIK-WDEREUQCSA-N 1 0 224.352 2.435 10 0 BEAERO CC(C)C[C@H](C)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000720584378 712854646 /nfs/dbraw/zinc/85/46/46/712854646.db2.gz RAWIRTGUIMJDDC-WDEREUQCSA-N 1 0 224.352 2.148 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000721166866 712894210 /nfs/dbraw/zinc/89/42/10/712894210.db2.gz KIEGLSIPOXNAQY-WUHRBBMRSA-N 1 0 227.348 2.101 10 0 BEAERO Cc1ccsc1CC[NH2+]Cc1nccn1C ZINC000131919507 1166108150 /nfs/dbraw/zinc/10/81/50/1166108150.db2.gz VJFLKBUZWNGJQQ-UHFFFAOYSA-N 1 0 235.356 2.122 10 0 BEAERO CC(C)(C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000036764756 1166175661 /nfs/dbraw/zinc/17/56/61/1166175661.db2.gz OCBYBBBAAGVSBS-UHFFFAOYSA-N 1 0 223.320 2.485 10 0 BEAERO C(C[NH2+][C@@H]1CCCOC1)C[C@@H]1CCCCO1 ZINC000135017648 1167745684 /nfs/dbraw/zinc/74/56/84/1167745684.db2.gz KSQSHHJFRLFOET-OLZOCXBDSA-N 1 0 227.348 2.104 10 0 BEAERO CCc1ccccc1C[NH2+]CC[S@](=O)CC ZINC000217329254 1168260611 /nfs/dbraw/zinc/26/06/11/1168260611.db2.gz BTIQWRRIZYZTHZ-MRXNPFEDSA-N 1 0 239.384 2.107 10 0 BEAERO CCCC[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000005520563 970832565 /nfs/dbraw/zinc/83/25/65/970832565.db2.gz JSEJOQTZKKNYRQ-KGLIPLIRSA-N 1 0 219.328 2.425 10 0 BEAERO C[C@@H](C[NH2+]CCCC(F)(F)F)N(C)C1CC1 ZINC000218680594 972030220 /nfs/dbraw/zinc/03/02/20/972030220.db2.gz PKLZNFCGYROFSL-VIFPVBQESA-N 1 0 238.297 2.401 10 0 BEAERO COc1cc(C[NH2+]C2(C)CC2)cc2c1OCCO2 ZINC000134785558 959492784 /nfs/dbraw/zinc/49/27/84/959492784.db2.gz ICICJUVEFFRRBS-UHFFFAOYSA-N 1 0 249.310 2.109 10 0 BEAERO CC[C@@](O)(C[NH2+]Cc1ccccc1)C(F)(F)F ZINC000201159963 970187305 /nfs/dbraw/zinc/18/73/05/970187305.db2.gz GAKTUBAEGMHVMW-LLVKDONJSA-N 1 0 247.260 2.480 10 0 BEAERO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C ZINC000052202967 1171948911 /nfs/dbraw/zinc/94/89/11/1171948911.db2.gz NOPLGSBFNXJLFY-LBPRGKRZSA-N 1 0 220.360 2.289 10 0 BEAERO CCc1ccccc1C[NH2+]C(C)(C)CO ZINC000052200604 1171949188 /nfs/dbraw/zinc/94/91/88/1171949188.db2.gz XCVANKSQXZKXTI-UHFFFAOYSA-N 1 0 207.317 2.110 10 0 BEAERO C[NH2+]Cc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685959950 538907084 /nfs/dbraw/zinc/90/70/84/538907084.db2.gz WJMWHNDFLMTSRG-UHFFFAOYSA-N 1 0 240.521 2.023 10 0 BEAERO CCCC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685961361 538908020 /nfs/dbraw/zinc/90/80/20/538908020.db2.gz HDHRTZUEDDHLJU-FZMZJTMJSA-N 1 0 235.327 2.288 10 0 BEAERO COCCC[NH2+]CC1(CCOC)CCCC1 ZINC000685961104 538908105 /nfs/dbraw/zinc/90/81/05/538908105.db2.gz OGYJRKJCVIVQJL-UHFFFAOYSA-N 1 0 229.364 2.209 10 0 BEAERO C[C@H](COCc1ccccc1)CC(=O)CC[NH3+] ZINC000685962711 538909682 /nfs/dbraw/zinc/90/96/82/538909682.db2.gz QLTNFLYTQZHIIW-LBPRGKRZSA-N 1 0 235.327 2.147 10 0 BEAERO C[C@@H](COCc1ccccc1)CC(=O)CC[NH3+] ZINC000685962710 538909805 /nfs/dbraw/zinc/90/98/05/538909805.db2.gz QLTNFLYTQZHIIW-GFCCVEGCSA-N 1 0 235.327 2.147 10 0 BEAERO CC[N@@H+]1CCC(=O)C12C[C@H](C)C[C@@H](C)C2 ZINC000685952631 538896792 /nfs/dbraw/zinc/89/67/92/538896792.db2.gz BHLANSZPUVNLQN-GHMZBOCLSA-N 1 0 209.333 2.476 10 0 BEAERO C=C(OCC)c1csc([C@@H](C)[NH2+]C)n1 ZINC000685965240 538911563 /nfs/dbraw/zinc/91/15/63/538911563.db2.gz VPIHTMWKLWVSAH-SSDOTTSWSA-N 1 0 212.318 2.431 10 0 BEAERO CC1(C)C[C@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224729763 322988577 /nfs/dbraw/zinc/98/85/77/322988577.db2.gz ICTSTSZCNKMTSM-BJDJZHNGSA-N 1 0 223.360 2.436 10 0 BEAERO [NH3+]CC[C@@H]1Cc2cccc(C(F)(F)F)c2O1 ZINC000685965335 538911611 /nfs/dbraw/zinc/91/16/11/538911611.db2.gz ABULOGUJUXQMER-MRVPVSSYSA-N 1 0 231.217 2.358 10 0 BEAERO CCCc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685965358 538912102 /nfs/dbraw/zinc/91/21/02/538912102.db2.gz BALJASYZGZYNFY-KBPBESRZSA-N 1 0 218.344 2.043 10 0 BEAERO Cc1cc(CC[NH3+])ccc1N(C)C[C@@H]1CCCO1 ZINC000104274213 177962329 /nfs/dbraw/zinc/96/23/29/177962329.db2.gz GYWWVXSGCILIAZ-AWEZNQCLSA-N 1 0 248.370 2.111 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000378693993 346809270 /nfs/dbraw/zinc/80/92/70/346809270.db2.gz KDASVDATUQJTTP-OIMNJJJWSA-N 1 0 222.376 2.247 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000378693992 346809500 /nfs/dbraw/zinc/80/95/00/346809500.db2.gz KDASVDATUQJTTP-HBJVGIJOSA-N 1 0 222.376 2.247 10 0 BEAERO CCC(CC)(CN)[N@H+](CCOC)[C@H](C)C1CC1 ZINC000042615442 168322383 /nfs/dbraw/zinc/32/23/83/168322383.db2.gz IXXQCYFWBRLAAB-GFCCVEGCSA-N 1 0 242.407 2.251 10 0 BEAERO CCC(CC)(CN)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000019807810 168323328 /nfs/dbraw/zinc/32/33/28/168323328.db2.gz JHKTUUTYIVTHPT-VXGBXAGGSA-N 1 0 212.381 2.482 10 0 BEAERO c1nn(C2CCC2)cc1C1CC[NH2+]CC1 ZINC000257814834 349487249 /nfs/dbraw/zinc/48/72/49/349487249.db2.gz BGKCWOFHWJTAQX-UHFFFAOYSA-N 1 0 205.305 2.075 10 0 BEAERO C[C@@H]1C[C@H](C(N)=[NH2+])[C@@H](C)N1c1ccccc1 ZINC000299803550 398144832 /nfs/dbraw/zinc/14/48/32/398144832.db2.gz XPJKPTUBPLKSAC-FOGDFJRCSA-N 1 0 217.316 2.226 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000378723130 346813581 /nfs/dbraw/zinc/81/35/81/346813581.db2.gz HHIZOWXTDJUOCX-QJPTWQEYSA-N 1 0 209.333 2.070 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCCO2)cc(C)c1O ZINC000020305118 178022128 /nfs/dbraw/zinc/02/21/28/178022128.db2.gz FPSFENJVDQVBPE-ZDUSSCGKSA-N 1 0 235.327 2.278 10 0 BEAERO Cc1cc(C[NH2+]C(C)C)nc(C[C@@H]2CCCO2)n1 ZINC000054831697 178017369 /nfs/dbraw/zinc/01/73/69/178017369.db2.gz KSDXHWQQDGQZLS-ZDUSSCGKSA-N 1 0 249.358 2.005 10 0 BEAERO Cc1cc(C[NH2+]C2CC2)ccc1-n1ccnc1 ZINC000050562417 178018797 /nfs/dbraw/zinc/01/87/97/178018797.db2.gz VGJMTLYYFHBURT-UHFFFAOYSA-N 1 0 227.311 2.433 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCOC2)cc(C)c1O ZINC000037738491 178024484 /nfs/dbraw/zinc/02/44/84/178024484.db2.gz XFXIHNXQSLGKAQ-GFCCVEGCSA-N 1 0 235.327 2.135 10 0 BEAERO [NH3+]Cc1cc(Br)ccc1N1CCC1 ZINC000307488777 398171205 /nfs/dbraw/zinc/17/12/05/398171205.db2.gz DPQLNNAISJSPHL-UHFFFAOYSA-N 1 0 241.132 2.118 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)c(C)n1C ZINC000052790254 178033701 /nfs/dbraw/zinc/03/37/01/178033701.db2.gz ZZBYRDRYPKDECI-KGLIPLIRSA-N 1 0 236.359 2.035 10 0 BEAERO [NH3+]C1CC(OCCCOCc2ccccc2)C1 ZINC000307505060 398173543 /nfs/dbraw/zinc/17/35/43/398173543.db2.gz PWRLMBXXVJHHRY-UHFFFAOYSA-N 1 0 235.327 2.100 10 0 BEAERO C[C@H](c1ccsc1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000307570168 398176036 /nfs/dbraw/zinc/17/60/36/398176036.db2.gz YYQGSGGXIDHRDJ-YWVKMMECSA-N 1 0 210.346 2.231 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]([NH3+])[C@H](C)CC ZINC000390630360 398177688 /nfs/dbraw/zinc/17/76/88/398177688.db2.gz IMPYYGJNJNNLEI-VXGBXAGGSA-N 1 0 228.380 2.254 10 0 BEAERO Cc1cc(COc2ccc(C[C@H](C)[NH3+])cc2)on1 ZINC000037723743 178048597 /nfs/dbraw/zinc/04/85/97/178048597.db2.gz DCOVFRLQYFQBCH-JTQLQIEISA-N 1 0 246.310 2.452 10 0 BEAERO CC(C)(O)C[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000378736753 346817700 /nfs/dbraw/zinc/81/77/00/346817700.db2.gz NIECYLISUOGJAL-CMPLNLGQSA-N 1 0 223.291 2.042 10 0 BEAERO Brc1ccoc1[C@H]1CC[NH2+]1 ZINC000232457179 398180978 /nfs/dbraw/zinc/18/09/78/398180978.db2.gz VVADATZLTAFWEL-ZCFIWIBFSA-N 1 0 202.051 2.077 10 0 BEAERO Cc1cc(F)ccc1N1CCC[NH2+]CCC1 ZINC000049664493 178088507 /nfs/dbraw/zinc/08/85/07/178088507.db2.gz YYIJAUVFGNYASO-UHFFFAOYSA-N 1 0 222.307 2.324 10 0 BEAERO Cc1cc([C@@]2(F)CC[C@H]([NH3+])C2)sn1 ZINC000306426762 398190713 /nfs/dbraw/zinc/19/07/13/398190713.db2.gz WPEBLQDAEVXGFU-IONNQARKSA-N 1 0 200.282 2.128 10 0 BEAERO Cc1cc(F)ccc1[C@H](O)C(C)(C)C[NH3+] ZINC000082641652 178091622 /nfs/dbraw/zinc/09/16/22/178091622.db2.gz DRWHPXJJZYBRPA-NSHDSACASA-N 1 0 211.280 2.152 10 0 BEAERO Cc1cc(N(C)CC[NH3+])ccc1Br ZINC000020239788 178099273 /nfs/dbraw/zinc/09/92/73/178099273.db2.gz WMRVWTGCHFSOTK-UHFFFAOYSA-N 1 0 243.148 2.152 10 0 BEAERO CCn1cc([C@@H]2[NH2+]CC23CCCC3)cn1 ZINC000380071459 398196595 /nfs/dbraw/zinc/19/65/95/398196595.db2.gz IXRGZTBYBLQQCC-NSHDSACASA-N 1 0 205.305 2.108 10 0 BEAERO Cc1cc(N)ccc1NC(=O)CC[N@@H+](C)C(C)C ZINC000022216475 178106111 /nfs/dbraw/zinc/10/61/11/178106111.db2.gz PMQPHYOKXVRIQE-UHFFFAOYSA-N 1 0 249.358 2.246 10 0 BEAERO Cc1cc(N2CC[NH2+]C[C@H](C)C2)ccc1F ZINC000061122289 178116117 /nfs/dbraw/zinc/11/61/17/178116117.db2.gz VWNNJHAQIHYDKB-JTQLQIEISA-N 1 0 222.307 2.180 10 0 BEAERO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)nc(C(C)C)n1 ZINC000216221289 178122101 /nfs/dbraw/zinc/12/21/01/178122101.db2.gz QFOWJNVDZVOIPK-RYUDHWBXSA-N 1 0 248.374 2.082 10 0 BEAERO Cc1cnccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000296230566 398208379 /nfs/dbraw/zinc/20/83/79/398208379.db2.gz CGSSCYTUIQKHDR-YPMHNXCESA-N 1 0 220.316 2.047 10 0 BEAERO C[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000163156872 538927145 /nfs/dbraw/zinc/92/71/45/538927145.db2.gz WEAOVLDAAYJHKF-QWHCGFSZSA-N 1 0 224.392 2.449 10 0 BEAERO Cc1cc(NCCC[NH3+])nc2ccccc12 ZINC000019721383 178159399 /nfs/dbraw/zinc/15/93/99/178159399.db2.gz GGKZMFQRLGAUPG-UHFFFAOYSA-N 1 0 215.300 2.304 10 0 BEAERO Cc1cc(NC[C@@H]2CCC[N@H+]2C)nc(C2CC2)n1 ZINC000116260329 178167644 /nfs/dbraw/zinc/16/76/44/178167644.db2.gz QXGZULOTCXDRCA-LBPRGKRZSA-N 1 0 246.358 2.169 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC12CCCCC2 ZINC000387103813 398225946 /nfs/dbraw/zinc/22/59/46/398225946.db2.gz GAOBDLHOCCBOGY-NEPJUHHUSA-N 1 0 238.375 2.199 10 0 BEAERO Cc1cc(NCc2cccc(C[NH3+])c2)nc(C)n1 ZINC000037756787 178172513 /nfs/dbraw/zinc/17/25/13/178172513.db2.gz DCHCGWHWQSJLNQ-UHFFFAOYSA-N 1 0 242.326 2.164 10 0 BEAERO Cc1cc(N[C@@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000167622156 178179128 /nfs/dbraw/zinc/17/91/28/178179128.db2.gz VNEFQLBFVJDDQL-JQWIXIFHSA-N 1 0 206.289 2.369 10 0 BEAERO Cc1cc(OCC[C@H]2CCCC[NH2+]2)nc(C)n1 ZINC000051870837 178211123 /nfs/dbraw/zinc/21/11/23/178211123.db2.gz PNJCYVZXUNEPAP-GFCCVEGCSA-N 1 0 235.331 2.004 10 0 BEAERO C[C@H]([NH3+])[C@H](C)Oc1cc(F)ccc1F ZINC000070819843 361770391 /nfs/dbraw/zinc/77/03/91/361770391.db2.gz CKMAXERMHHPMNV-BQBZGAKWSA-N 1 0 201.216 2.079 10 0 BEAERO C[C@H]1Cc2c(Br)cccc2C[NH2+]1 ZINC000070821223 361772675 /nfs/dbraw/zinc/77/26/75/361772675.db2.gz ZKJLUSRXAJZBBM-ZETCQYMHSA-N 1 0 226.117 2.483 10 0 BEAERO Clc1ccc(NC2=[NH+]CCN2)cc1Cl ZINC000165685247 538936715 /nfs/dbraw/zinc/93/67/15/538936715.db2.gz OQCKOQDMQGHPPF-UHFFFAOYSA-N 1 0 230.098 2.365 10 0 BEAERO Cc1cc([C@@H](O)[C@H]2CCC[NH2+]C2)ccc1F ZINC000032014484 178239956 /nfs/dbraw/zinc/23/99/56/178239956.db2.gz VZZBNJDSFIYKOO-WCQYABFASA-N 1 0 223.291 2.167 10 0 BEAERO Cc1cc([C@@](C)(O)[C@H]2CCC[NH2+]C2)ccc1F ZINC000071547971 178243142 /nfs/dbraw/zinc/24/31/42/178243142.db2.gz DNNDDHPNWCHTHX-GXTWGEPZSA-N 1 0 237.318 2.341 10 0 BEAERO Cc1cc([C@@H]2C[NH2+]C[C@H](C)O2)ccc1F ZINC000071511628 178243326 /nfs/dbraw/zinc/24/33/26/178243326.db2.gz BCCVFHCMWPWVCT-CABZTGNLSA-N 1 0 209.264 2.184 10 0 BEAERO CC(C)([NH3+])C(=O)Nc1ccsc1Cl ZINC000306643561 361807116 /nfs/dbraw/zinc/80/71/16/361807116.db2.gz XAOPRHOJFAGRNS-UHFFFAOYSA-N 1 0 218.709 2.077 10 0 BEAERO Cc1cc([C@H](C[NH3+])N2CC[C@H](C)C2)ccc1F ZINC000050546172 178260557 /nfs/dbraw/zinc/26/05/57/178260557.db2.gz QBFSNXJOCXZSFX-HZMBPMFUSA-N 1 0 236.334 2.476 10 0 BEAERO CC(C)=CC(=O)N1CC[C@@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616569633 538938163 /nfs/dbraw/zinc/93/81/63/538938163.db2.gz JEXLNRPEERWNGQ-STQMWFEESA-N 1 0 238.375 2.175 10 0 BEAERO Cc1cc([C@H]([NH3+])c2cccnc2)c(C)o1 ZINC000043611436 178263341 /nfs/dbraw/zinc/26/33/41/178263341.db2.gz AOXZPTSTACUJGN-GFCCVEGCSA-N 1 0 202.257 2.340 10 0 BEAERO CCC(CC)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000106480073 168361156 /nfs/dbraw/zinc/36/11/56/168361156.db2.gz IYKGKPKLRNOEAP-UHFFFAOYSA-N 1 0 239.363 2.263 10 0 BEAERO CCC(CC)C[NH2+][C@H]1CN2CCC1CC2 ZINC000019946342 168364407 /nfs/dbraw/zinc/36/44/07/168364407.db2.gz ANBLRKBLQOZFFH-ZDUSSCGKSA-N 1 0 210.365 2.106 10 0 BEAERO CCC(CC)C[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946339 168363136 /nfs/dbraw/zinc/36/31/36/168363136.db2.gz ANBLRKBLQOZFFH-CYBMUJFWSA-N 1 0 210.365 2.106 10 0 BEAERO Cc1cc2c(cc1C)CC(C[C@H]1C[NH+]=CN1)C2 ZINC000013862124 178284880 /nfs/dbraw/zinc/28/48/80/178284880.db2.gz MOZAMAQLWQBIOW-HNNXBMFYSA-N 1 0 228.339 2.408 10 0 BEAERO Cc1cc2ncc(C[NH2+][C@@H](C)C(C)C)cn2n1 ZINC000070166166 178303945 /nfs/dbraw/zinc/30/39/45/178303945.db2.gz RKKYWEYGDKZOQI-NSHDSACASA-N 1 0 232.331 2.172 10 0 BEAERO Cc1cc2ncc(C[NH2+][C@H](C)C(C)C)cn2n1 ZINC000070166167 178303955 /nfs/dbraw/zinc/30/39/55/178303955.db2.gz RKKYWEYGDKZOQI-LLVKDONJSA-N 1 0 232.331 2.172 10 0 BEAERO CC[C@H](C)[C@@H](C[NH2+]CC[C@@H]1CCCO1)OC ZINC000381282522 398247565 /nfs/dbraw/zinc/24/75/65/398247565.db2.gz LMROPJQFOUBIAS-RWMBFGLXSA-N 1 0 229.364 2.206 10 0 BEAERO CC1(C)C[N@H+](C[C@H]2CCC[C@H](O)C2)CCS1 ZINC000381271684 398249817 /nfs/dbraw/zinc/24/98/17/398249817.db2.gz VSRGFCXRCDNZIB-RYUDHWBXSA-N 1 0 243.416 2.365 10 0 BEAERO Cc1[nH]nc(-c2ccc(C)cc2)c1C[NH3+] ZINC000066135284 178316619 /nfs/dbraw/zinc/31/66/19/178316619.db2.gz SJDQAJSEDXXWEV-UHFFFAOYSA-N 1 0 201.273 2.152 10 0 BEAERO Cc1ccc(-c2c[nH]c(C[NH3+])n2)c(C)c1 ZINC000036870940 178318099 /nfs/dbraw/zinc/31/80/99/178318099.db2.gz QUJKLCBWWUOZGG-UHFFFAOYSA-N 1 0 201.273 2.152 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055087552 168367335 /nfs/dbraw/zinc/36/73/35/168367335.db2.gz QJBLSEGAIZNFQB-MNOVXSKESA-N 1 0 226.364 2.151 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000036789506 168367478 /nfs/dbraw/zinc/36/74/78/168367478.db2.gz DXCPABMNKVSHIZ-ZYHUDNBSSA-N 1 0 226.364 2.164 10 0 BEAERO Cc1ccc(-c2nc(C[C@H](C)[NH3+])no2)cc1C ZINC000054161264 178335165 /nfs/dbraw/zinc/33/51/65/178335165.db2.gz FAXUQURMJNNTMQ-JTQLQIEISA-N 1 0 231.299 2.243 10 0 BEAERO Cc1ccc(-c2nc(C[C@@H](C)[NH3+])no2)cc1C ZINC000054161263 178335660 /nfs/dbraw/zinc/33/56/60/178335660.db2.gz FAXUQURMJNNTMQ-SNVBAGLBSA-N 1 0 231.299 2.243 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])no2)cc1C ZINC000041052197 178335924 /nfs/dbraw/zinc/33/59/24/178335924.db2.gz IGUMCNHAKHCLET-SECBINFHSA-N 1 0 217.272 2.373 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000036789520 168368054 /nfs/dbraw/zinc/36/80/54/168368054.db2.gz UQAIEEAGSVYAKN-WDEREUQCSA-N 1 0 226.364 2.022 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)[NH3+])no2)cc1C ZINC000041052198 178336832 /nfs/dbraw/zinc/33/68/32/178336832.db2.gz IGUMCNHAKHCLET-VIFPVBQESA-N 1 0 217.272 2.373 10 0 BEAERO Cc1ccc(-c2ncc(C[NH3+])cn2)cc1F ZINC000054855324 178338647 /nfs/dbraw/zinc/33/86/47/178338647.db2.gz BRFQAAAAGJUANS-UHFFFAOYSA-N 1 0 217.247 2.050 10 0 BEAERO Cc1ccc(-c2nnc(CCC[NH3+])o2)c(F)c1 ZINC000083362181 178339706 /nfs/dbraw/zinc/33/97/06/178339706.db2.gz BZECPGGWKSNRJY-UHFFFAOYSA-N 1 0 235.262 2.075 10 0 BEAERO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000077204505 398254390 /nfs/dbraw/zinc/25/43/90/398254390.db2.gz MGCFILAQNIVFJJ-UKRRQHHQSA-N 1 0 249.354 2.336 10 0 BEAERO FC1(F)CCCC[C@@H]1CN1CCC[NH2+]CC1 ZINC000381729040 398254839 /nfs/dbraw/zinc/25/48/39/398254839.db2.gz SLDWPTHUWFQBKQ-LLVKDONJSA-N 1 0 232.318 2.107 10 0 BEAERO CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)OC ZINC000381394863 398255321 /nfs/dbraw/zinc/25/53/21/398255321.db2.gz OLXHIVLGNMICDZ-XUXIUFHCSA-N 1 0 243.391 2.188 10 0 BEAERO [NH3+][C@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381590591 398265399 /nfs/dbraw/zinc/26/53/99/398265399.db2.gz LITLLXCFUNTQPF-MNOVXSKESA-N 1 0 232.318 2.235 10 0 BEAERO CCC(CC)N(CC[NH3+])c1cc(C)nc(C)n1 ZINC000104312925 168372336 /nfs/dbraw/zinc/37/23/36/168372336.db2.gz INDXVSFAYDPOED-UHFFFAOYSA-N 1 0 236.363 2.047 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000177101017 538951227 /nfs/dbraw/zinc/95/12/27/538951227.db2.gz ASXDNJZSWFIAJO-LBPRGKRZSA-N 1 0 207.321 2.004 10 0 BEAERO Cc1ccc(C(=O)N(C)[C@H](C)CC[NH3+])cc1C ZINC000063085722 178380957 /nfs/dbraw/zinc/38/09/57/178380957.db2.gz HPFACCJMSVVQIG-GFCCVEGCSA-N 1 0 234.343 2.113 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(F)(F)F ZINC000083119707 349571268 /nfs/dbraw/zinc/57/12/68/349571268.db2.gz KPQIKPDGFIVDMK-VHSXEESVSA-N 1 0 236.281 2.107 10 0 BEAERO Cc1ccc(C(=O)C[NH2+]C(C)C)cc1C ZINC000041611720 178372955 /nfs/dbraw/zinc/37/29/55/178372955.db2.gz OLUGIBPVFFVVBJ-UHFFFAOYSA-N 1 0 205.301 2.484 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@](C)(CN)C(C)C ZINC000042681767 168375213 /nfs/dbraw/zinc/37/52/13/168375213.db2.gz GHTHABASPPICER-CQSZACIVSA-N 1 0 244.423 2.497 10 0 BEAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1C ZINC000082284062 178396857 /nfs/dbraw/zinc/39/68/57/178396857.db2.gz CXUDIIQPQSZCBI-AWEZNQCLSA-N 1 0 246.354 2.080 10 0 BEAERO c1cc2cc([C@H]3CCCC[NH2+]3)ccc2nn1 ZINC000616612567 349581978 /nfs/dbraw/zinc/58/19/78/349581978.db2.gz CGELEEHTBIPJEC-GFCCVEGCSA-N 1 0 213.284 2.444 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@](C)(CN)C1CC1 ZINC000042614966 168375707 /nfs/dbraw/zinc/37/57/07/168375707.db2.gz WROAFRCVTDOYDN-CQSZACIVSA-N 1 0 242.407 2.251 10 0 BEAERO C[N@@H+](Cc1ccco1)C[C@H]1CCC[C@@H](O)C1 ZINC000381653110 398268537 /nfs/dbraw/zinc/26/85/37/398268537.db2.gz SFCBXZMEKRXBPC-NWDGAFQWSA-N 1 0 223.316 2.263 10 0 BEAERO CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000378805466 346838778 /nfs/dbraw/zinc/83/87/78/346838778.db2.gz WRXFZCULNRXCFY-MROQNXINSA-N 1 0 213.365 2.418 10 0 BEAERO C[N@H+](C[C@H]1CCCCC1(F)F)C1CC[NH2+]CC1 ZINC000381667189 398268972 /nfs/dbraw/zinc/26/89/72/398268972.db2.gz KPCPQYSMBQCZSQ-LLVKDONJSA-N 1 0 246.345 2.496 10 0 BEAERO CCCC[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000035229570 538956449 /nfs/dbraw/zinc/95/64/49/538956449.db2.gz VFQWCIXMTFMJRN-LLVKDONJSA-N 1 0 236.363 2.455 10 0 BEAERO NC1=[NH+]CC[C@@H](c2ccc(C(F)(F)F)s2)N1 ZINC000719142130 538959405 /nfs/dbraw/zinc/95/94/05/538959405.db2.gz ACOQKOMSWOSBFW-YFKPBYRVSA-N 1 0 249.261 2.326 10 0 BEAERO C[C@H]1[NH2+]CCO[C@H]1c1cccc(Cl)c1 ZINC000037405038 538962677 /nfs/dbraw/zinc/96/26/77/538962677.db2.gz BOFUZZAQNVYZFF-LDYMZIIASA-N 1 0 211.692 2.389 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616613303 349613556 /nfs/dbraw/zinc/61/35/56/349613556.db2.gz UJJDESXKPXUDKV-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO c1cc([C@H]2C[NH2+]C[C@H](C3CC3)O2)cs1 ZINC000070890768 361865737 /nfs/dbraw/zinc/86/57/37/361865737.db2.gz SGJXJFZFHJVLKO-GHMZBOCLSA-N 1 0 209.314 2.188 10 0 BEAERO c1cc([C@@H]2C[NH2+]C[C@H](C3CC3)O2)cs1 ZINC000070890763 361866052 /nfs/dbraw/zinc/86/60/52/361866052.db2.gz SGJXJFZFHJVLKO-MNOVXSKESA-N 1 0 209.314 2.188 10 0 BEAERO C(C[C@H]1CCCO1)[NH2+]C(C1CC1)C1CC1 ZINC000038095482 538964560 /nfs/dbraw/zinc/96/45/60/538964560.db2.gz FUXUBYSCAKXZBR-GFCCVEGCSA-N 1 0 209.333 2.334 10 0 BEAERO CC1(CNC(=[NH2+])NCc2ccccc2)CC1 ZINC000306659665 361868768 /nfs/dbraw/zinc/86/87/68/361868768.db2.gz PJCPYKZONKBLGX-UHFFFAOYSA-N 1 0 217.316 2.101 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000003678319 361869902 /nfs/dbraw/zinc/86/99/02/361869902.db2.gz OVMKFFQECJQOSD-GFCCVEGCSA-N 1 0 221.300 2.256 10 0 BEAERO C[C@@H](C[NH3+])Cc1ccc(Br)o1 ZINC000306659051 361869957 /nfs/dbraw/zinc/86/99/57/361869957.db2.gz JHTOFWPKGRELJI-ZCFIWIBFSA-N 1 0 218.094 2.179 10 0 BEAERO CCOc1cc([C@@H]2C[C@H](C)C[NH2+]2)ccc1O ZINC000003705295 342736978 /nfs/dbraw/zinc/73/69/78/342736978.db2.gz JJSWTYULFULIFV-ONGXEEELSA-N 1 0 221.300 2.461 10 0 BEAERO [NH3+]CC1(SCc2ccccc2)CCOCC1 ZINC000145849102 342763757 /nfs/dbraw/zinc/76/37/57/342763757.db2.gz YGJXMNRTKAASGY-UHFFFAOYSA-N 1 0 237.368 2.428 10 0 BEAERO CNC(=O)[C@H]([NH2+]C[C@H](C)c1ccccc1)C(C)C ZINC000183664704 538967598 /nfs/dbraw/zinc/96/75/98/538967598.db2.gz APVALQYLWVRSEA-GXTWGEPZSA-N 1 0 248.370 2.150 10 0 BEAERO CCC1(c2cccc(OC)c2)C[NH+](C)C1 ZINC000005509216 342765227 /nfs/dbraw/zinc/76/52/27/342765227.db2.gz YBEDBXNUCCCITN-UHFFFAOYSA-N 1 0 205.301 2.288 10 0 BEAERO CC[C@@H]([NH3+])C(=O)c1cscc1Br ZINC000226541839 342765253 /nfs/dbraw/zinc/76/52/53/342765253.db2.gz VIYLYQIWYWZQEO-SSDOTTSWSA-N 1 0 248.145 2.431 10 0 BEAERO COc1ccc(C[C@H]2CCC[C@H]2[NH3+])cc1OC ZINC000006018629 342772667 /nfs/dbraw/zinc/77/26/67/342772667.db2.gz AUAIRWXIJLJQPD-VXGBXAGGSA-N 1 0 235.327 2.374 10 0 BEAERO COC1=CCc2cccc([C@H](C)C[NH3+])c2C1 ZINC000147662605 342778508 /nfs/dbraw/zinc/77/85/08/342778508.db2.gz GSTLVZKZMKSVHH-SNVBAGLBSA-N 1 0 217.312 2.378 10 0 BEAERO [NH3+][C@@H](CCC(F)(F)F)c1ccccn1 ZINC000070917650 361884789 /nfs/dbraw/zinc/88/47/89/361884789.db2.gz IRBRCLYCGMBJRH-ZETCQYMHSA-N 1 0 204.195 2.424 10 0 BEAERO CCOC[C@@H]1C[NH2+]C[C@H](COc2ccccc2)C1 ZINC000147202044 342774011 /nfs/dbraw/zinc/77/40/11/342774011.db2.gz VPIIFSRVINZEJQ-UONOGXRCSA-N 1 0 249.354 2.328 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccccc1F ZINC000054685613 398282657 /nfs/dbraw/zinc/28/26/57/398282657.db2.gz PTSPOEKBGCZRTF-LSDHHAIUSA-N 1 0 245.297 2.429 10 0 BEAERO CCC(CC)[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000364606898 168388535 /nfs/dbraw/zinc/38/85/35/168388535.db2.gz OYGUOGQOWNQFKI-NSHDSACASA-N 1 0 221.348 2.224 10 0 BEAERO CCC(CC)[NH2+]Cc1cn2c(n1)CCCC2 ZINC000309689778 168389260 /nfs/dbraw/zinc/38/92/60/168389260.db2.gz ITYHVAPOLZTCIA-UHFFFAOYSA-N 1 0 221.348 2.498 10 0 BEAERO CC(=O)Nc1ccc2c(c1)C[C@H]([NH+](C)C)CC2 ZINC000148113157 342788231 /nfs/dbraw/zinc/78/82/31/342788231.db2.gz XLAITXJOICVZIB-CQSZACIVSA-N 1 0 232.327 2.064 10 0 BEAERO CCC(CC)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368638498 168390653 /nfs/dbraw/zinc/39/06/53/168390653.db2.gz NWXLEPFEDBHLLN-VXGBXAGGSA-N 1 0 247.404 2.120 10 0 BEAERO CC[C@@](C)(C[NH3+])NC(=O)OCc1ccccc1 ZINC000148982798 342792877 /nfs/dbraw/zinc/79/28/77/342792877.db2.gz DDXFSJXYUAVRKV-ZDUSSCGKSA-N 1 0 236.315 2.040 10 0 BEAERO [NH3+]C1CCC(C(=O)Nc2ccsc2)CC1 ZINC000085535030 488181696 /nfs/dbraw/zinc/18/16/96/488181696.db2.gz SJOVKCNGYZHFDW-UHFFFAOYSA-N 1 0 224.329 2.204 10 0 BEAERO CC(=O)Nc1ccccc1C[NH2+][C@@H]1C[C@H]1C ZINC000085573335 398289434 /nfs/dbraw/zinc/28/94/34/398289434.db2.gz SVKZVZOFHPPKCU-NOZJJQNGSA-N 1 0 218.300 2.143 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1Sc1cccc(O)c1 ZINC000126953332 342807552 /nfs/dbraw/zinc/80/75/52/342807552.db2.gz AQYUHDFNSGDEGW-QWRGUYRKSA-N 1 0 209.314 2.364 10 0 BEAERO CC(C)(CO)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000380140189 538985931 /nfs/dbraw/zinc/98/59/31/538985931.db2.gz VKMZADZAQGCPMB-MNOVXSKESA-N 1 0 217.328 2.123 10 0 BEAERO Cc1ccc(C(C)(C)C)cc1CC[NH2+]CCO ZINC000098126024 178449453 /nfs/dbraw/zinc/44/94/53/178449453.db2.gz QFWIPEFEACJWPP-UHFFFAOYSA-N 1 0 235.371 2.417 10 0 BEAERO CCC[N@H+](C)C[C@@H](O)c1cccc(C)c1 ZINC000044127636 538987006 /nfs/dbraw/zinc/98/70/06/538987006.db2.gz ZDDWIXYMFAZIHE-CYBMUJFWSA-N 1 0 207.317 2.370 10 0 BEAERO COCc1nc(C[NH2+]CC[C@@H](C)F)cs1 ZINC000381971064 398290933 /nfs/dbraw/zinc/29/09/33/398290933.db2.gz CAEMVKDQEOPLKS-MRVPVSSYSA-N 1 0 232.324 2.127 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000380010948 538983860 /nfs/dbraw/zinc/98/38/60/538983860.db2.gz RNXLISUALQCPFM-FVCCEPFGSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@]1(C)CCCO1 ZINC000381479526 539001751 /nfs/dbraw/zinc/00/17/51/539001751.db2.gz SDYKNJXDHQKEGX-AVGNSLFASA-N 1 0 227.348 2.103 10 0 BEAERO CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000381729876 539006593 /nfs/dbraw/zinc/00/65/93/539006593.db2.gz NGXXKIUVMZKPFO-AGIUHOORSA-N 1 0 228.355 2.199 10 0 BEAERO CC1(C)CC(=O)N[N+]1=Cc1ccccc1F ZINC000138417926 342839244 /nfs/dbraw/zinc/83/92/44/342839244.db2.gz JHRUSHZFGTXDMT-NVNXTCNLSA-O 1 0 221.255 2.311 10 0 BEAERO CC[C@@]1([NH2+]C[C@@H]2Cc3ccccc32)CCOC1 ZINC000383244707 539011719 /nfs/dbraw/zinc/01/17/19/539011719.db2.gz PVEXENULSBHTQK-DZGCQCFKSA-N 1 0 231.339 2.485 10 0 BEAERO C[C@H]([NH2+]Cc1ccccn1)[C@H]1CCCCO1 ZINC000381448989 539000657 /nfs/dbraw/zinc/00/06/57/539000657.db2.gz GKHJAPGOTHKFSG-WCQYABFASA-N 1 0 220.316 2.129 10 0 BEAERO CCOC(=O)N1CC[C@H]([NH2+]C)c2ccccc21 ZINC000071324719 361980554 /nfs/dbraw/zinc/98/05/54/361980554.db2.gz NBYVONWXUNAIRN-NSHDSACASA-N 1 0 234.299 2.314 10 0 BEAERO C[C@@](O)(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000011803557 342843529 /nfs/dbraw/zinc/84/35/29/342843529.db2.gz SEGJJVZNEAFLLY-SECBINFHSA-N 1 0 220.099 2.160 10 0 BEAERO CCC(CC)(CC)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000391240437 539027632 /nfs/dbraw/zinc/02/76/32/539027632.db2.gz ZJLLJVNBFWWWNN-ZDUSSCGKSA-N 1 0 242.407 2.123 10 0 BEAERO OCCC1CC[NH+](C2CCCCC2)CC1 ZINC000259069646 342839562 /nfs/dbraw/zinc/83/95/62/342839562.db2.gz BQALPOWARQUFQM-UHFFFAOYSA-N 1 0 211.349 2.414 10 0 BEAERO Cc1cc(Br)ccc1O[C@H](C)C[NH3+] ZINC000011946862 342844807 /nfs/dbraw/zinc/84/48/07/342844807.db2.gz VJZBBXIFRCORLX-MRVPVSSYSA-N 1 0 244.132 2.484 10 0 BEAERO C=Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cn1 ZINC000382033959 398301162 /nfs/dbraw/zinc/30/11/62/398301162.db2.gz VFSJYDXJNYPCQF-YNEHKIRRSA-N 1 0 217.316 2.262 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000233302411 342853919 /nfs/dbraw/zinc/85/39/19/342853919.db2.gz YDNKTEKFLBSVMB-XQQFMLRXSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1C[NH2+]CC[C@]1(O)c1sccc1Cl ZINC000229926178 342855643 /nfs/dbraw/zinc/85/56/43/342855643.db2.gz CTERIHYIPGOSFC-OIBJUYFYSA-N 1 0 231.748 2.219 10 0 BEAERO CC[C@H]([NH3+])c1nc([C@H]2CCOC2)cs1 ZINC000164974241 342861458 /nfs/dbraw/zinc/86/14/58/342861458.db2.gz GTKVQKUERPQVHH-YUMQZZPRSA-N 1 0 212.318 2.057 10 0 BEAERO CC[C@@H]1CN=C(NCC(F)(F)F)S1 ZINC000229999964 342862758 /nfs/dbraw/zinc/86/27/58/342862758.db2.gz CTOOUAQUQHRTIV-RXMQYKEDSA-N 1 0 212.240 2.020 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000134543548 342863625 /nfs/dbraw/zinc/86/36/25/342863625.db2.gz YCOPIIIXXIEAAE-KCJUWKMLSA-N 1 0 226.707 2.002 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000134543527 342863805 /nfs/dbraw/zinc/86/38/05/342863805.db2.gz YCOPIIIXXIEAAE-GZMMTYOYSA-N 1 0 226.707 2.002 10 0 BEAERO [NH3+][C@@H]1CSC[C@H]1CCc1cccs1 ZINC000134580958 342870969 /nfs/dbraw/zinc/87/09/69/342870969.db2.gz DASALCBFLQZAOG-PSASIEDQSA-N 1 0 213.371 2.371 10 0 BEAERO C[C@H](C[NH+](C)C)Nc1nc(Cl)cs1 ZINC000165081041 342873955 /nfs/dbraw/zinc/87/39/55/342873955.db2.gz ZRGDESQADPCORG-ZCFIWIBFSA-N 1 0 219.741 2.159 10 0 BEAERO CCOc1ccc([C@@H](C[NH3+])N(CC)CC)cc1 ZINC000038809136 342878348 /nfs/dbraw/zinc/87/83/48/342878348.db2.gz QBQSTCHOUOHXHS-CQSZACIVSA-N 1 0 236.359 2.427 10 0 BEAERO Clc1ccsc1N1CCC[NH2+]CC1 ZINC000229947135 342858278 /nfs/dbraw/zinc/85/82/78/342858278.db2.gz ZPTVPONQHCGJKH-UHFFFAOYSA-N 1 0 216.737 2.201 10 0 BEAERO [NH3+]C[C@@H]1CCN(c2sccc2Cl)C1 ZINC000229947164 342858368 /nfs/dbraw/zinc/85/83/68/342858368.db2.gz SVNMAJUOVAGYKK-ZETCQYMHSA-N 1 0 216.737 2.187 10 0 BEAERO CC[C@@H]1CN(c2nc(Cl)cs2)CC[N@@H+]1C ZINC000165190128 342880798 /nfs/dbraw/zinc/88/07/98/342880798.db2.gz VYZGDTIIAUVXLM-MRVPVSSYSA-N 1 0 245.779 2.327 10 0 BEAERO CC[C@@H]1CS[C@]2(CCCC[C@@H]2OC)[NH2+]1 ZINC000233940516 342908230 /nfs/dbraw/zinc/90/82/30/342908230.db2.gz NHZRZSIMVRSLDK-VWYCJHECSA-N 1 0 215.362 2.387 10 0 BEAERO CC[C@@H]1CS[C@]2(CCS[C@@H]2C)[NH2+]1 ZINC000233940591 342908308 /nfs/dbraw/zinc/90/83/08/342908308.db2.gz VGVCEIYONFTCIS-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000103956740 398323269 /nfs/dbraw/zinc/32/32/69/398323269.db2.gz BVZOEXXOFAHLHQ-AAEUAGOBSA-N 1 0 233.311 2.279 10 0 BEAERO FC1(F)CC(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC000306670949 398325089 /nfs/dbraw/zinc/32/50/89/398325089.db2.gz YDRSAFFUORWNFX-KXUCPTDWSA-N 1 0 201.260 2.420 10 0 BEAERO Cc1ccc(C)c(-c2nnc(CCC[NH3+])o2)c1 ZINC000050283599 178461759 /nfs/dbraw/zinc/46/17/59/178461759.db2.gz SVFAXNOTNYMUIO-UHFFFAOYSA-N 1 0 231.299 2.245 10 0 BEAERO CC(C)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803701 398325343 /nfs/dbraw/zinc/32/53/43/398325343.db2.gz ZYUVXUOJVPZEAY-ZDUSSCGKSA-N 1 0 248.374 2.033 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000162351540 349652704 /nfs/dbraw/zinc/65/27/04/349652704.db2.gz QLVZRKKPHBFAPF-JQWIXIFHSA-N 1 0 236.363 2.275 10 0 BEAERO Cc1nc(C[NH2+]CC[C@H]2CCCO2)cs1 ZINC000037988827 398335566 /nfs/dbraw/zinc/33/55/66/398335566.db2.gz DTVIAWLPIWYHBT-LLVKDONJSA-N 1 0 226.345 2.110 10 0 BEAERO Cc1n[nH]cc1C[NH2+]CCC1CCCC1 ZINC000037739687 342946959 /nfs/dbraw/zinc/94/69/59/342946959.db2.gz QPDDGMWNSBCLDY-UHFFFAOYSA-N 1 0 207.321 2.388 10 0 BEAERO COC[C@H]([NH2+][C@H]1CCCSC1)c1ccco1 ZINC000128311941 398339883 /nfs/dbraw/zinc/33/98/83/398339883.db2.gz MRPJSNBFHLOKFU-QWRGUYRKSA-N 1 0 241.356 2.452 10 0 BEAERO Cc1oncc1-c1csc([C@@H](C)[NH3+])n1 ZINC000084388587 398342382 /nfs/dbraw/zinc/34/23/82/398342382.db2.gz MLUQJGHZWAJQAX-RXMQYKEDSA-N 1 0 209.274 2.126 10 0 BEAERO CCC1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000335803672 398342775 /nfs/dbraw/zinc/34/27/75/398342775.db2.gz WJZWFBOHOASTLB-XVSSEFHLSA-N 1 0 238.375 2.212 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C)cc(C)n1 ZINC000175166612 346892462 /nfs/dbraw/zinc/89/24/62/346892462.db2.gz RFLILJNGHZVYGN-ZDUSSCGKSA-N 1 0 248.374 2.014 10 0 BEAERO Cn1ccnc1C[NH2+]CCC1CCCC1 ZINC000037741307 342949032 /nfs/dbraw/zinc/94/90/32/342949032.db2.gz FOBAYYZRUWMSIJ-UHFFFAOYSA-N 1 0 207.321 2.090 10 0 BEAERO [NH3+][C@H]1CCCc2ccc(Cl)cc2[C@H]1O ZINC000019795573 342958282 /nfs/dbraw/zinc/95/82/82/342958282.db2.gz PGZGJVAXNJLLBI-WDEREUQCSA-N 1 0 211.692 2.037 10 0 BEAERO Cc1ccc(C)c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367533964 178474382 /nfs/dbraw/zinc/47/43/82/178474382.db2.gz QCUGTGXQJJIMKW-QKDCVEJESA-N 1 0 231.339 2.285 10 0 BEAERO Cc1ccc(C)c(C[C@@H](O)C2CC[NH2+]CC2)c1 ZINC000041261425 178477277 /nfs/dbraw/zinc/47/72/77/178477277.db2.gz ZNEOTTDLQQHMGX-OAHLLOKOSA-N 1 0 233.355 2.206 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000020577592 342991671 /nfs/dbraw/zinc/99/16/71/342991671.db2.gz JFWNNOBLJXSMPG-ZDUSSCGKSA-N 1 0 229.279 2.403 10 0 BEAERO N[C@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000034542608 346911239 /nfs/dbraw/zinc/91/12/39/346911239.db2.gz LAFZPOPTZGZPHA-OAHLLOKOSA-N 1 0 226.323 2.476 10 0 BEAERO COc1ccc2c(c1)[C@H](CC[NH3+])CCC2 ZINC000041214115 342980505 /nfs/dbraw/zinc/98/05/05/342980505.db2.gz RBKWQTGEQWUZCE-NSHDSACASA-N 1 0 205.301 2.464 10 0 BEAERO CC[NH+]1CCC(c2c[nH]c3ccc(N)nc32)CC1 ZINC000036421685 342995104 /nfs/dbraw/zinc/99/51/04/342995104.db2.gz ZKMWKEXDFNWIHM-UHFFFAOYSA-N 1 0 244.342 2.344 10 0 BEAERO C[NH+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000041289813 342995864 /nfs/dbraw/zinc/99/58/64/342995864.db2.gz YJYKVNGIWFBNNB-JTQLQIEISA-N 1 0 244.132 2.044 10 0 BEAERO CO[C@@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000043254689 343018825 /nfs/dbraw/zinc/01/88/25/343018825.db2.gz BTOHXSABOAQQCW-YLWLKBPMSA-N 1 0 205.710 2.436 10 0 BEAERO CCOc1cccc(C[NH2+]CCc2c[nH]cn2)c1 ZINC000045946276 343013400 /nfs/dbraw/zinc/01/34/00/343013400.db2.gz ZCNWPAXXTUYHIG-UHFFFAOYSA-N 1 0 245.326 2.141 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1nccc2occc21 ZINC000235499564 343040010 /nfs/dbraw/zinc/04/00/10/343040010.db2.gz CGTRKLHRDBBOGK-DTWKUNHWSA-N 1 0 219.288 2.366 10 0 BEAERO Cc1cc(N2C3CCC2CC3)[nH+]cc1N ZINC000118676540 343052244 /nfs/dbraw/zinc/05/22/44/343052244.db2.gz REVMEFRHLQUOFM-UHFFFAOYSA-N 1 0 203.289 2.103 10 0 BEAERO [NH3+][C@H]1CC[C@@H](Oc2nc(Cl)cs2)C1 ZINC000165390262 343073627 /nfs/dbraw/zinc/07/36/27/343073627.db2.gz YGIMJWCIRZVUMX-NTSWFWBYSA-N 1 0 218.709 2.055 10 0 BEAERO CC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000400697999 529666639 /nfs/dbraw/zinc/66/66/39/529666639.db2.gz JNOGJQOYNDEYKS-MXWKQRLJSA-N 1 0 239.388 2.182 10 0 BEAERO Cc1c(C)c(C)c([C@@H](N)C[NH3+])c(C)c1C ZINC000072200686 343068856 /nfs/dbraw/zinc/06/88/56/343068856.db2.gz XBJRSHAHPCNTEJ-LBPRGKRZSA-N 1 0 206.333 2.187 10 0 BEAERO [NH3+][C@H](CO)c1cccc(-c2ccccc2)c1 ZINC000072198214 343069129 /nfs/dbraw/zinc/06/91/29/343069129.db2.gz RNPSFAAPHANRET-CQSZACIVSA-N 1 0 213.280 2.346 10 0 BEAERO N[C@@H](C[NH3+])c1ccc(C(F)(F)F)c(Cl)c1 ZINC000072201408 343069510 /nfs/dbraw/zinc/06/95/10/343069510.db2.gz HXFSPKLBKCXSMF-QMMMGPOBSA-N 1 0 238.640 2.317 10 0 BEAERO CCCc1ccc2[nH+]cc(N)c(N)c2c1 ZINC000584881909 343079820 /nfs/dbraw/zinc/07/98/20/343079820.db2.gz HEEWKZONYIQPDM-UHFFFAOYSA-N 1 0 201.273 2.182 10 0 BEAERO CCC1([NH+]2CCNCC2)C[C@@H](C)C[C@H](C)C1 ZINC000584882530 343085156 /nfs/dbraw/zinc/08/51/56/343085156.db2.gz NBCPYTORIMPPAX-STQMWFEESA-N 1 0 224.392 2.497 10 0 BEAERO [NH3+]CCc1c[nH]c2cc(F)c(F)c(F)c12 ZINC000169196960 343075951 /nfs/dbraw/zinc/07/59/51/343075951.db2.gz JLPVJZQBFOFIJD-UHFFFAOYSA-N 1 0 214.190 2.086 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236542216 343102163 /nfs/dbraw/zinc/10/21/63/343102163.db2.gz KFQAMZRSBYSDAE-VXGBXAGGSA-N 1 0 209.333 2.070 10 0 BEAERO C[C@H](Sc1ccc(F)c(F)c1)C(N)=[NH2+] ZINC000043516514 343116588 /nfs/dbraw/zinc/11/65/88/343116588.db2.gz UABNJUDBDFJMRU-YFKPBYRVSA-N 1 0 216.256 2.381 10 0 BEAERO CC[NH2+][C@@H]1CCc2cc(OC)ccc2C1 ZINC000039310952 343124026 /nfs/dbraw/zinc/12/40/26/343124026.db2.gz OCHFWMLDOCVCAY-GFCCVEGCSA-N 1 0 205.301 2.162 10 0 BEAERO CC[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000234032295 343124312 /nfs/dbraw/zinc/12/43/12/343124312.db2.gz BAGHFJKUKZIHPI-KZVJFYERSA-N 1 0 205.392 2.349 10 0 BEAERO Cc1ccc(C)c([C@@H](O)C[NH+]2CCCC2)c1 ZINC000044115096 178498512 /nfs/dbraw/zinc/49/85/12/178498512.db2.gz PNGQKPNWICAJHM-AWEZNQCLSA-N 1 0 219.328 2.433 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000252429251 343126180 /nfs/dbraw/zinc/12/61/80/343126180.db2.gz ZLKRPNRIZXZFNJ-VOAKCMCISA-N 1 0 211.349 2.458 10 0 BEAERO CCOC(=O)C1CC[NH+]([C@H](C)C(C)C)CC1 ZINC000259645389 343129685 /nfs/dbraw/zinc/12/96/85/343129685.db2.gz IXAGGSOUHJTCKK-LLVKDONJSA-N 1 0 227.348 2.306 10 0 BEAERO O[C@]12CCCC[C@@H]1CCC[C@H]2[NH2+]C1CC1 ZINC000144802915 343138632 /nfs/dbraw/zinc/13/86/32/343138632.db2.gz QNKVTBUUEJHQPQ-RAIGVLPGSA-N 1 0 209.333 2.212 10 0 BEAERO COc1ccc(C[C@@H](C)[NH3+])cc1Br ZINC000038052346 343143484 /nfs/dbraw/zinc/14/34/84/343143484.db2.gz MJUZFCZYHJDPIF-SSDOTTSWSA-N 1 0 244.132 2.347 10 0 BEAERO COc1ccc(C[C@H]([NH3+])C(C)C)cc1OC ZINC000037658301 343144414 /nfs/dbraw/zinc/14/44/14/343144414.db2.gz ZEANWUBSOZFRLT-NSHDSACASA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc2c(c1)O[C@@H](C1CC1)C[C@H]2[NH3+] ZINC000130806352 343181941 /nfs/dbraw/zinc/18/19/41/343181941.db2.gz LIAKNAIBMWJCBB-VXGBXAGGSA-N 1 0 219.284 2.256 10 0 BEAERO CCOC(=O)[C@H]1CCC[N@@H+](C(CC)CC)C1 ZINC000094677424 343156734 /nfs/dbraw/zinc/15/67/34/343156734.db2.gz PXLGCHIHKNJBGK-NSHDSACASA-N 1 0 227.348 2.450 10 0 BEAERO CC(C)C[C@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000406691502 343158990 /nfs/dbraw/zinc/15/89/90/343158990.db2.gz ZSSLQOYBZYTGAG-NSHDSACASA-N 1 0 242.363 2.227 10 0 BEAERO O[C@@]1(c2ccccc2)CC[N@@H+]2CCCC[C@@H]21 ZINC000123896391 343166753 /nfs/dbraw/zinc/16/67/53/343166753.db2.gz FNWWHWQXQXMXME-ZIAGYGMSSA-N 1 0 217.312 2.132 10 0 BEAERO O=C(CC1CC[NH2+]CC1)c1ccccc1 ZINC000125436827 343173579 /nfs/dbraw/zinc/17/35/79/343173579.db2.gz LDPCGEZFFSHGHD-UHFFFAOYSA-N 1 0 203.285 2.259 10 0 BEAERO C([C@@H]1CCCC[NH2+]1)N1CC2CCC1CC2 ZINC000237995884 343222350 /nfs/dbraw/zinc/22/23/50/343222350.db2.gz GTFPMPIUGWMCNZ-CPCZMJQVSA-N 1 0 208.349 2.003 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@@H]2CCCS2)[C@H]2CCO[C@@H]21 ZINC000087667990 136282143 /nfs/dbraw/zinc/28/21/43/136282143.db2.gz ADFXFZUBXMBRGZ-QCNOEVLYSA-N 1 0 241.400 2.285 10 0 BEAERO CC[NH2+][C@@H]1CCc2c(ccc(C)c2OC)C1 ZINC000238247932 343253018 /nfs/dbraw/zinc/25/30/18/343253018.db2.gz KMPXBJHMWDCZDJ-GFCCVEGCSA-N 1 0 219.328 2.470 10 0 BEAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(N)=O)cc1 ZINC000035138483 343286490 /nfs/dbraw/zinc/28/64/90/343286490.db2.gz SMQLVNPHQHVTMH-WDEREUQCSA-N 1 0 234.343 2.334 10 0 BEAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)C(C)(C)C ZINC000121525118 343267642 /nfs/dbraw/zinc/26/76/42/343267642.db2.gz GOTXSLAMIJQNAW-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO C[N@H+](CCO)C[C@@H]1CCCc2ccccc21 ZINC000034373635 343268850 /nfs/dbraw/zinc/26/88/50/343268850.db2.gz YMBBBFBKAJRYNL-ZDUSSCGKSA-N 1 0 219.328 2.031 10 0 BEAERO Cc1ccc([C@H]2[NH2+]CCc3cc(O)ccc32)nc1 ZINC000034737529 343277877 /nfs/dbraw/zinc/27/78/77/343277877.db2.gz JQYAVOCXMLHHQA-HNNXBMFYSA-N 1 0 240.306 2.331 10 0 BEAERO COC(=O)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000036803996 343324138 /nfs/dbraw/zinc/32/41/38/343324138.db2.gz OFISZRAOSGQKQV-LBPRGKRZSA-N 1 0 235.327 2.160 10 0 BEAERO [NH3+][C@H](CO)c1ccc(-c2ccccc2)cc1 ZINC000036949516 343328379 /nfs/dbraw/zinc/32/83/79/343328379.db2.gz DRGRSSFCCDTWRF-CQSZACIVSA-N 1 0 213.280 2.346 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCN[C@H]1C)[C@@H]1CC1(C)C ZINC000397670615 262929208 /nfs/dbraw/zinc/92/92/08/262929208.db2.gz QDGOGMBTHLEUFQ-RHYQMDGZSA-N 1 0 210.365 2.151 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000052092216 343300140 /nfs/dbraw/zinc/30/01/40/343300140.db2.gz PDYSVMNGSCCVMB-HUUCEWRRSA-N 1 0 249.354 2.349 10 0 BEAERO CCOc1cc(C[NH3+])ccc1OC(F)(F)F ZINC000309347581 343303111 /nfs/dbraw/zinc/30/31/11/343303111.db2.gz ZHRHWKZOYYHWAX-UHFFFAOYSA-N 1 0 235.205 2.443 10 0 BEAERO CCOC(=O)/C=C/C1CC[NH+](C(C)C)CC1 ZINC000146826739 343313439 /nfs/dbraw/zinc/31/34/39/343313439.db2.gz ZOHRAAKKZIREOM-AATRIKPKSA-N 1 0 225.332 2.226 10 0 BEAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccncc1 ZINC000037992509 343364378 /nfs/dbraw/zinc/36/43/78/343364378.db2.gz YBHTVDVLPUMNLW-CYBMUJFWSA-N 1 0 216.259 2.463 10 0 BEAERO Cc1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])nc1 ZINC000038050610 343368132 /nfs/dbraw/zinc/36/81/32/343368132.db2.gz RLBJCCJNCPIJFA-WDEREUQCSA-N 1 0 205.305 2.072 10 0 BEAERO CCOc1cccc2c1C[N@H+](CC)CC2 ZINC000039099326 343382976 /nfs/dbraw/zinc/38/29/76/343382976.db2.gz ILRHKOFQQFIGBK-UHFFFAOYSA-N 1 0 205.301 2.463 10 0 BEAERO CCCC(=O)OCC1CC[NH+](CC)CC1 ZINC000039101682 343384028 /nfs/dbraw/zinc/38/40/28/343384028.db2.gz PYMQHZYCYRCEPC-UHFFFAOYSA-N 1 0 213.321 2.062 10 0 BEAERO CCC1(C(=O)N[C@@H]2CCC[C@H]2C)CC[NH2+]CC1 ZINC000071209035 168439301 /nfs/dbraw/zinc/43/93/01/168439301.db2.gz MEGWCTVMJGDECP-VXGBXAGGSA-N 1 0 238.375 2.071 10 0 BEAERO CCOc1ccc(Cl)cc1C[NH2+]CCCO ZINC000040537873 343406841 /nfs/dbraw/zinc/40/68/41/343406841.db2.gz VALCQTQITHYVLU-UHFFFAOYSA-N 1 0 243.734 2.211 10 0 BEAERO OC1(CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000335678493 136319630 /nfs/dbraw/zinc/31/96/30/136319630.db2.gz IRBQWMUDCOGUHN-RYUDHWBXSA-N 1 0 241.400 2.261 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)C1CC1 ZINC000377995822 136333345 /nfs/dbraw/zinc/33/33/45/136333345.db2.gz HDQIZQROLAKRCV-JQWIXIFHSA-N 1 0 219.332 2.149 10 0 BEAERO CCC(CC)(C[NH2+][C@@H]1CO[C@H](C2CC2)C1)OC ZINC000668188896 488217771 /nfs/dbraw/zinc/21/77/71/488217771.db2.gz RSIPRZYLEGGRID-STQMWFEESA-N 1 0 241.375 2.349 10 0 BEAERO CCC1(C[N@@H+]2CCCO[C@H](C)C2)CCOCC1 ZINC000335718935 136340283 /nfs/dbraw/zinc/34/02/83/136340283.db2.gz XPRSJRIIQZTJFS-CYBMUJFWSA-N 1 0 241.375 2.304 10 0 BEAERO Fc1cccc2c1[C@@H]([NH2+][C@H]1CCSC1)CO2 ZINC000374685644 136356965 /nfs/dbraw/zinc/35/69/65/136356965.db2.gz ZFGPJFQIAVANGF-WPRPVWTQSA-N 1 0 239.315 2.354 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1ncccc1F ZINC000082592979 343450125 /nfs/dbraw/zinc/45/01/25/343450125.db2.gz RLFQQQKYWSKZNR-VIFPVBQESA-N 1 0 211.284 2.006 10 0 BEAERO C[C@H](C[NH3+])Sc1nc2ccccc2[nH]1 ZINC000043514666 343476441 /nfs/dbraw/zinc/47/64/41/343476441.db2.gz VDAZCPHUXGNVCV-SSDOTTSWSA-N 1 0 207.302 2.002 10 0 BEAERO Clc1ncc(COC[C@H]2CCC[NH2+]C2)s1 ZINC000043220440 343466409 /nfs/dbraw/zinc/46/64/09/343466409.db2.gz XLWWZKSFBINXCC-QMMMGPOBSA-N 1 0 246.763 2.313 10 0 BEAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1O ZINC000379936801 365749395 /nfs/dbraw/zinc/74/93/95/365749395.db2.gz XSHHZNUSUGCVGY-WISYIIOYSA-N 1 0 229.389 2.021 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cncnc1 ZINC000616599238 343518491 /nfs/dbraw/zinc/51/84/91/343518491.db2.gz YAPTXAZOKCFEEX-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO C[N@@H+]1CCC[C@@H]1c1cnnc2ccccc21 ZINC000616634560 343527978 /nfs/dbraw/zinc/52/79/78/343527978.db2.gz TVOXDVGSDZENGX-CYBMUJFWSA-N 1 0 213.284 2.397 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2cccc(Cl)c2)C1 ZINC000616659549 343532711 /nfs/dbraw/zinc/53/27/11/343532711.db2.gz BLPREEKMHQPSCB-NSHDSACASA-N 1 0 225.719 2.386 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1cccc(F)c1 ZINC000616660309 343532835 /nfs/dbraw/zinc/53/28/35/343532835.db2.gz XAXXYTNRUGTCBP-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO CCCn1cc(C[NH2+]CCO)c2ccccc21 ZINC000045945188 343536022 /nfs/dbraw/zinc/53/60/22/343536022.db2.gz DDSLVIXDQIIUMQ-UHFFFAOYSA-N 1 0 232.327 2.133 10 0 BEAERO [NH3+][C@H](c1cn[nH]c1)c1ccc(Cl)c(F)c1 ZINC000203875179 343547443 /nfs/dbraw/zinc/54/74/43/343547443.db2.gz VTFYYBIAJQLYJM-JTQLQIEISA-N 1 0 225.654 2.250 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1 ZINC000398758444 488223697 /nfs/dbraw/zinc/22/36/97/488223697.db2.gz GRIOEMOWMCRRAY-GMXVVIOVSA-N 1 0 209.333 2.022 10 0 BEAERO CCC(CC)[NH2+]Cc1nccn1C1CC1 ZINC000711788992 537782424 /nfs/dbraw/zinc/78/24/24/537782424.db2.gz TWSMWXIOUVQOGB-UHFFFAOYSA-N 1 0 207.321 2.496 10 0 BEAERO CCn1nccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712513638 537786536 /nfs/dbraw/zinc/78/65/36/537786536.db2.gz QGEPGCDPJYMZRE-NSHDSACASA-N 1 0 233.340 2.200 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1 ZINC000050394466 343614469 /nfs/dbraw/zinc/61/44/69/343614469.db2.gz WLEPUDXUIVQSMC-OLZOCXBDSA-N 1 0 232.327 2.006 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@@H](CC[NH3+])C(=O)N2 ZINC000105381335 537790935 /nfs/dbraw/zinc/79/09/35/537790935.db2.gz SGAKPRYTVAARMW-SNVBAGLBSA-N 1 0 232.327 2.369 10 0 BEAERO C[C@@H]1C[C@@]2(CCN1C)[NH2+]CCc1ccsc12 ZINC000712553354 537792899 /nfs/dbraw/zinc/79/28/99/537792899.db2.gz RCSQXFGBYHOGMZ-ZWNOBZJWSA-N 1 0 236.384 2.203 10 0 BEAERO Cc1c([C@H]2[NH2+]CCc3ccsc32)cnn1C ZINC000712545278 537793699 /nfs/dbraw/zinc/79/36/99/537793699.db2.gz KYGGUFYPBFYIKZ-LLVKDONJSA-N 1 0 233.340 2.025 10 0 BEAERO CC[C@@H]1C[C@@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712522521 537789393 /nfs/dbraw/zinc/78/93/93/537789393.db2.gz KBFUDUANZCTCLQ-PWSUYJOCSA-N 1 0 223.341 2.288 10 0 BEAERO CCn1cc([C@@H]2[NH2+]CCc3ccsc32)cn1 ZINC000712536735 537789428 /nfs/dbraw/zinc/78/94/28/537789428.db2.gz KCQHKYCXEDGCBX-NSHDSACASA-N 1 0 233.340 2.200 10 0 BEAERO c1cc2c(s1)[C@H](c1cnsc1)[NH2+]CC2 ZINC000712923379 537796134 /nfs/dbraw/zinc/79/61/34/537796134.db2.gz LFWQBDUZKOLCEN-VIFPVBQESA-N 1 0 222.338 2.440 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@]1(C)CCCS1 ZINC000379855607 343640778 /nfs/dbraw/zinc/64/07/78/343640778.db2.gz BXPUATJNNSJAIJ-ZYHUDNBSSA-N 1 0 231.405 2.269 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc(F)cc1 ZINC000054686288 343690196 /nfs/dbraw/zinc/69/01/96/343690196.db2.gz YDPSQGSLHHJFJC-CABCVRRESA-N 1 0 245.297 2.429 10 0 BEAERO Cc1cccc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000082593091 133503107 /nfs/dbraw/zinc/50/31/07/133503107.db2.gz SVCUFCOONUJWEF-NSHDSACASA-N 1 0 207.321 2.175 10 0 BEAERO FC(F)C(F)(F)CNc1cc[nH+]cc1 ZINC000230714142 346955450 /nfs/dbraw/zinc/95/54/50/346955450.db2.gz WUUJSHBNLLLQBX-UHFFFAOYSA-N 1 0 208.158 2.394 10 0 BEAERO C[C@]1(c2ccccc2)C[C@@H]2CC(=O)CC[N@@H+]2C1 ZINC000206793936 343713153 /nfs/dbraw/zinc/71/31/53/343713153.db2.gz PRBUHGQJBFTDKW-ZFWWWQNUSA-N 1 0 229.323 2.382 10 0 BEAERO C[C@@H](CC(=O)N1CCC([NH3+])CC1)C(C)(C)C ZINC000082627946 133504092 /nfs/dbraw/zinc/50/40/92/133504092.db2.gz ALVOFTPIUJFVKW-JTQLQIEISA-N 1 0 226.364 2.008 10 0 BEAERO Clc1ccc(COC2C[NH2+]C2)cc1Cl ZINC000062809892 343745285 /nfs/dbraw/zinc/74/52/85/343745285.db2.gz CPZNGXLCJCDKLQ-UHFFFAOYSA-N 1 0 232.110 2.482 10 0 BEAERO [NH3+][C@@H](CO)c1ccccc1SC(F)(F)F ZINC000072198815 343775393 /nfs/dbraw/zinc/77/53/93/343775393.db2.gz CSUVSDMPCFWKOV-ZETCQYMHSA-N 1 0 237.246 2.291 10 0 BEAERO C[NH2+][C@H](C1=CCCCO1)[C@@H]1CCSC1 ZINC000167768817 346968202 /nfs/dbraw/zinc/96/82/02/346968202.db2.gz KCJIXSVQMWXKOD-KOLCDFICSA-N 1 0 213.346 2.022 10 0 BEAERO C[NH2+][C@H](C1=CCCCO1)[C@H]1CCSC1 ZINC000167769021 346968278 /nfs/dbraw/zinc/96/82/78/346968278.db2.gz KCJIXSVQMWXKOD-ONGXEEELSA-N 1 0 213.346 2.022 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1Nc1ccc(Cl)cn1 ZINC000063176965 343750360 /nfs/dbraw/zinc/75/03/60/343750360.db2.gz RPXQWUOLNTUSBY-DTWKUNHWSA-N 1 0 211.696 2.027 10 0 BEAERO CCc1cc(CC)n(C[C@@H]2CCCC[NH2+]2)n1 ZINC000132498688 343788088 /nfs/dbraw/zinc/78/80/88/343788088.db2.gz AHPZEEDZXUFWDN-LBPRGKRZSA-N 1 0 221.348 2.150 10 0 BEAERO C[C@H]([NH3+])c1cnn(CCOCc2ccccc2)c1 ZINC000309885261 343790743 /nfs/dbraw/zinc/79/07/43/343790743.db2.gz KZPYMKPSZYSABV-LBPRGKRZSA-N 1 0 245.326 2.120 10 0 BEAERO F[C@@H](CN1CC[NH2+]CC1)c1ccccc1Cl ZINC000409422385 343813432 /nfs/dbraw/zinc/81/34/32/343813432.db2.gz DHPKTKNFOWNPRR-LBPRGKRZSA-N 1 0 242.725 2.256 10 0 BEAERO CC(C)C1CCC(C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000409424301 343817223 /nfs/dbraw/zinc/81/72/23/343817223.db2.gz UIWAOGKLVAQCPQ-BPCQOVAHSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000409424854 343817711 /nfs/dbraw/zinc/81/77/11/343817711.db2.gz YWJVYHINTULTFB-TZMCWYRMSA-N 1 0 219.328 2.074 10 0 BEAERO COC(=O)[C@@]12CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409431643 343824144 /nfs/dbraw/zinc/82/41/44/343824144.db2.gz RRJBIWLHSMLLKD-DZGCQCFKSA-N 1 0 245.322 2.072 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]1C(C)(C)C ZINC000409429368 343805656 /nfs/dbraw/zinc/80/56/56/343805656.db2.gz CHPYTXSNANRHCY-VHSXEESVSA-N 1 0 242.363 2.145 10 0 BEAERO C[NH2+]Cc1ccc(CC(=O)OC(C)(C)C)cc1 ZINC000409430462 343807977 /nfs/dbraw/zinc/80/79/77/343807977.db2.gz GTFRQRRQHIAKKJ-UHFFFAOYSA-N 1 0 235.327 2.290 10 0 BEAERO CCc1[nH]nc(-c2ccsc2)c1CC[NH3+] ZINC000409439869 343853466 /nfs/dbraw/zinc/85/34/66/343853466.db2.gz JZACWQOLAKZFMQ-UHFFFAOYSA-N 1 0 221.329 2.202 10 0 BEAERO C[NH2+]CCc1cn(CC(C)C)nc1C(F)(F)F ZINC000409439937 343854100 /nfs/dbraw/zinc/85/41/00/343854100.db2.gz QWCXHBIRWPFNJV-UHFFFAOYSA-N 1 0 249.280 2.320 10 0 BEAERO CC(C)Cc1[nH]nc(C(C)C)c1CC[NH3+] ZINC000409441087 343855111 /nfs/dbraw/zinc/85/51/11/343855111.db2.gz QEDFKHWDOVHTLV-UHFFFAOYSA-N 1 0 209.337 2.233 10 0 BEAERO CC(C)c1[nH]nc(-c2ccoc2)c1CC[NH3+] ZINC000409442036 343856651 /nfs/dbraw/zinc/85/66/51/343856651.db2.gz WDRNYTMZVIKNHP-UHFFFAOYSA-N 1 0 219.288 2.294 10 0 BEAERO COC1CC([C@H]2[NH2+]CCc3ccsc32)C1 ZINC000714508293 537822251 /nfs/dbraw/zinc/82/22/51/537822251.db2.gz RVCQDQBVHRJLRT-VQXHTEKXSA-N 1 0 223.341 2.360 10 0 BEAERO C[NH2+]CCc1cn(CC2CC2)nc1C(F)(F)F ZINC000409437070 343842325 /nfs/dbraw/zinc/84/23/25/343842325.db2.gz DECJIXKWNDGUBK-UHFFFAOYSA-N 1 0 247.264 2.074 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000409438592 343844892 /nfs/dbraw/zinc/84/48/92/343844892.db2.gz DGDXIQZWVPEOMS-WDEREUQCSA-N 1 0 229.283 2.331 10 0 BEAERO [NH3+]CCc1c(-c2ccoc2)n[nH]c1C1CCC1 ZINC000409440197 343851109 /nfs/dbraw/zinc/85/11/09/343851109.db2.gz LLMKQLUBSYDTEA-UHFFFAOYSA-N 1 0 231.299 2.438 10 0 BEAERO C[NH2+][C@H]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000409440297 343852043 /nfs/dbraw/zinc/85/20/43/343852043.db2.gz KNILMTLVOPFDSZ-BDAKNGLRSA-N 1 0 209.293 2.049 10 0 BEAERO CC[C@@H](C)n1cc(C2CC[NH2+]CC2)cn1 ZINC000575623286 343875815 /nfs/dbraw/zinc/87/58/15/343875815.db2.gz FSWDVHCIINJDPA-SNVBAGLBSA-N 1 0 207.321 2.321 10 0 BEAERO [NH3+]CCCc1cnn(CC2CCCCC2)c1 ZINC000575623402 343876155 /nfs/dbraw/zinc/87/61/55/343876155.db2.gz PHSBXOSLDISOSG-UHFFFAOYSA-N 1 0 221.348 2.355 10 0 BEAERO C[NH2+]CCCc1cnn(CC2CCCC2)c1 ZINC000575623397 343876330 /nfs/dbraw/zinc/87/63/30/343876330.db2.gz OZCGEDPLKOTYIF-UHFFFAOYSA-N 1 0 221.348 2.225 10 0 BEAERO Cc1nc(C)c(COCC2CC[NH2+]CC2)s1 ZINC000585144358 343879598 /nfs/dbraw/zinc/87/95/98/343879598.db2.gz MECPQJAVMZSORA-UHFFFAOYSA-N 1 0 240.372 2.276 10 0 BEAERO Cc1nc(C)c(COC2CC[NH2+]CC2)s1 ZINC000585144431 343879599 /nfs/dbraw/zinc/87/95/99/343879599.db2.gz OIUFMJNBUIDZQR-UHFFFAOYSA-N 1 0 226.345 2.029 10 0 BEAERO CC(C)c1[nH]nc(-c2cccnc2)c1C[NH3+] ZINC000409441613 343860074 /nfs/dbraw/zinc/86/00/74/343860074.db2.gz SFCAZZQJNIYGEN-UHFFFAOYSA-N 1 0 216.288 2.054 10 0 BEAERO CC[C@@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000022120523 343906744 /nfs/dbraw/zinc/90/67/44/343906744.db2.gz SZIJHPIXUWPBRS-ZDUSSCGKSA-N 1 0 222.307 2.182 10 0 BEAERO C[NH2+]Cc1sc(-c2ccoc2)nc1C ZINC000069947099 343944490 /nfs/dbraw/zinc/94/44/90/343944490.db2.gz MTNNNEQOMLSBMD-UHFFFAOYSA-N 1 0 208.286 2.431 10 0 BEAERO Cc1ccc(C[NH2+]Cc2ccncn2)cc1 ZINC000054788682 178615061 /nfs/dbraw/zinc/61/50/61/178615061.db2.gz MCFJJCRVGGTJAU-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO C[C@H]([NH3+])c1csc(C2CCOCC2)n1 ZINC000070842535 343956411 /nfs/dbraw/zinc/95/64/11/343956411.db2.gz UINLNYZPEZPSRC-ZETCQYMHSA-N 1 0 212.318 2.057 10 0 BEAERO CC(C)(C)C(=O)C[N@@H+]1CCSC(C)(C)C1 ZINC000135214988 343968930 /nfs/dbraw/zinc/96/89/30/343968930.db2.gz GWJRPEHQWHPLMX-UHFFFAOYSA-N 1 0 229.389 2.429 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641303415 362352794 /nfs/dbraw/zinc/35/27/94/362352794.db2.gz DEELFGBBVXBVHF-GFCCVEGCSA-N 1 0 246.358 2.250 10 0 BEAERO Cc1ccc2c(N3CC[NH2+]CC3)ccc(F)c2n1 ZINC000166866465 344096268 /nfs/dbraw/zinc/09/62/68/344096268.db2.gz XHPDNHCLNIBYCA-UHFFFAOYSA-N 1 0 245.301 2.092 10 0 BEAERO [NH3+]Cc1cnc(Sc2cccs2)nc1 ZINC000126780311 344099673 /nfs/dbraw/zinc/09/96/73/344099673.db2.gz BXDMRIZFRRKPOL-UHFFFAOYSA-N 1 0 223.326 2.148 10 0 BEAERO CC1(C)[C@H](c2ccccc2)N(O)C=C[N+]1=O ZINC000585087151 344122181 /nfs/dbraw/zinc/12/21/81/344122181.db2.gz QNNKJULMSUTUNO-NSHDSACASA-N 1 0 219.264 2.461 10 0 BEAERO CCCCN(CC)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736440 344127867 /nfs/dbraw/zinc/12/78/67/344127867.db2.gz MSYRNURMGVZYFF-JSGCOSHPSA-N 1 0 238.375 2.025 10 0 BEAERO C[C@H]1OCC[C@@]1([NH3+])Cc1ccc(Cl)s1 ZINC000127312659 344129230 /nfs/dbraw/zinc/12/92/30/344129230.db2.gz ZQWLFSFASICRGZ-GMSGAONNSA-N 1 0 231.748 2.450 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC000634736861 344133170 /nfs/dbraw/zinc/13/31/70/344133170.db2.gz CBYAVPNPVRAOAN-VHSXEESVSA-N 1 0 248.317 2.008 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC000634737059 344135600 /nfs/dbraw/zinc/13/56/00/344135600.db2.gz HXTSHYGUYYYDPE-SNVBAGLBSA-N 1 0 248.317 2.008 10 0 BEAERO COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]2C)cc1F ZINC000234601388 344155810 /nfs/dbraw/zinc/15/58/10/344155810.db2.gz GFHGRXMDZWFABT-PELKAZGASA-N 1 0 237.274 2.110 10 0 BEAERO CCOCC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000309342637 347037338 /nfs/dbraw/zinc/03/73/38/347037338.db2.gz XOKNHNVIYUQCRC-NSHDSACASA-N 1 0 231.380 2.046 10 0 BEAERO CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)C1CC1 ZINC000127662992 344201188 /nfs/dbraw/zinc/20/11/88/344201188.db2.gz COGKCRGXSMALCU-YPMHNXCESA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@H](O)CC[N@H+](C)Cc1ccccc1 ZINC000219154140 344266742 /nfs/dbraw/zinc/26/67/42/344266742.db2.gz YWKPWLUQHKQVEA-ZDUSSCGKSA-N 1 0 207.317 2.279 10 0 BEAERO Cc1ccccc1NC(=O)O[C@H]1CC[N@@H+](C)C1 ZINC000002010160 362374124 /nfs/dbraw/zinc/37/41/24/362374124.db2.gz DTAAMVZDTXCCDV-NSHDSACASA-N 1 0 234.299 2.248 10 0 BEAERO Cc1ccc(C[C@H](O)C[NH2+]C(C)C)cc1C ZINC000071523483 178652036 /nfs/dbraw/zinc/65/20/36/178652036.db2.gz UTDPIFFBJXNTHC-AWEZNQCLSA-N 1 0 221.344 2.205 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCN(CC)CC1 ZINC000132289322 344297169 /nfs/dbraw/zinc/29/71/69/344297169.db2.gz CFRBCQNEUVAZNW-AAEUAGOBSA-N 1 0 210.365 2.249 10 0 BEAERO O=[N+]1Cc2ccccc2CCC12CCOCC2 ZINC000027555071 344272341 /nfs/dbraw/zinc/27/23/41/344272341.db2.gz UNPJGZFVGYOPPS-UHFFFAOYSA-N 1 0 231.295 2.111 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1CCSC(C)(C)C1 ZINC000133340233 344315558 /nfs/dbraw/zinc/31/55/58/344315558.db2.gz FSKZPDRTIOMZIM-NSHDSACASA-N 1 0 230.421 2.187 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H](CCO)C(C)C ZINC000133293238 344316592 /nfs/dbraw/zinc/31/65/92/344316592.db2.gz LQWQCQQNZBJGGV-VXGBXAGGSA-N 1 0 201.354 2.419 10 0 BEAERO CCC[C@H](C)C[NH2+]CC(C)(C)CCO ZINC000133301307 344316679 /nfs/dbraw/zinc/31/66/79/344316679.db2.gz KLWUCRXTTVMMNE-NSHDSACASA-N 1 0 201.354 2.421 10 0 BEAERO CC(C)Oc1ccccc1[C@H](C)N[C@H]1CC[NH2+]C1 ZINC000094080470 344325349 /nfs/dbraw/zinc/32/53/49/344325349.db2.gz OQHIZZXEUSNQAI-STQMWFEESA-N 1 0 248.370 2.486 10 0 BEAERO [NH3+]C[C@@H](F)Cc1nc2ccccc2s1 ZINC000158057506 344331073 /nfs/dbraw/zinc/33/10/73/344331073.db2.gz IQGXZCZRZZLDGM-ZETCQYMHSA-N 1 0 210.277 2.136 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CN1c1ccc2ccccc2n1 ZINC000385185711 344366042 /nfs/dbraw/zinc/36/60/42/344366042.db2.gz KUEOFSMVHKTMGO-JQWIXIFHSA-N 1 0 227.311 2.161 10 0 BEAERO C[C@H]1C[C@H](C)[N@H+](CC(=O)c2ccco2)C1 ZINC000158062968 344363578 /nfs/dbraw/zinc/36/35/78/344363578.db2.gz VSHQLNQGZSCENQ-UWVGGRQHSA-N 1 0 207.273 2.193 10 0 BEAERO CCNc1nccc(N2Cc3ccccc3C2)n1 ZINC000132580784 344423430 /nfs/dbraw/zinc/42/34/30/344423430.db2.gz DICFOLQXVNWGQU-UHFFFAOYSA-N 1 0 240.310 2.429 10 0 BEAERO CCC[C@]1([NH3+])CCN(C(=O)OC(C)(C)C)C1 ZINC000084424029 344429272 /nfs/dbraw/zinc/42/92/72/344429272.db2.gz NHVUGCRXJOBCMC-LBPRGKRZSA-N 1 0 228.336 2.125 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccnc(C(F)(F)F)c1 ZINC000385226704 344378409 /nfs/dbraw/zinc/37/84/09/344378409.db2.gz IFCCDOALMDIODK-SFYZADRCSA-N 1 0 245.248 2.026 10 0 BEAERO Cc1ccc(C)c([C@H](O)C[NH+]2CCCC2)c1 ZINC000044115093 344395401 /nfs/dbraw/zinc/39/54/01/344395401.db2.gz PNGQKPNWICAJHM-CQSZACIVSA-N 1 0 219.328 2.433 10 0 BEAERO Cc1ccc(Cn2cc[nH+]c2N)c(C)c1 ZINC000037483163 178665475 /nfs/dbraw/zinc/66/54/75/178665475.db2.gz YKCIJVXVPXWTSE-UHFFFAOYSA-N 1 0 201.273 2.130 10 0 BEAERO CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000106384891 344475150 /nfs/dbraw/zinc/47/51/50/344475150.db2.gz BEMXGWBWSVXCLE-GHMZBOCLSA-N 1 0 240.372 2.441 10 0 BEAERO CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037027205 344487095 /nfs/dbraw/zinc/48/70/95/344487095.db2.gz GWYBSQFPWRCAJZ-YNEHKIRRSA-N 1 0 238.375 2.071 10 0 BEAERO CNc1ccc([C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616613820 344524553 /nfs/dbraw/zinc/52/45/53/344524553.db2.gz BOQODRRXPHXQFO-CQSZACIVSA-N 1 0 234.343 2.248 10 0 BEAERO FC1(CC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000158109865 344544498 /nfs/dbraw/zinc/54/44/98/344544498.db2.gz IKRXKPGTGUBXPG-SNVBAGLBSA-N 1 0 201.285 2.037 10 0 BEAERO FC1(CC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000158110024 344544885 /nfs/dbraw/zinc/54/48/85/344544885.db2.gz IKRXKPGTGUBXPG-JTQLQIEISA-N 1 0 201.285 2.037 10 0 BEAERO C[C@](F)(C[NH3+])c1ccc(F)c(F)c1F ZINC000158246902 344574663 /nfs/dbraw/zinc/57/46/63/344574663.db2.gz PMQDCQJWCYABAC-VIFPVBQESA-N 1 0 207.170 2.247 10 0 BEAERO C[C@H](CC[NH2+][C@@H]1C[C@H]1CO)c1ccccc1 ZINC000309733849 259377208 /nfs/dbraw/zinc/37/72/08/259377208.db2.gz FWMHGRSVWRFAQN-KWCYVHTRSA-N 1 0 219.328 2.151 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000330268351 537847912 /nfs/dbraw/zinc/84/79/12/537847912.db2.gz RCVJWXRCFCWNFE-ADEWGFFLSA-N 1 0 234.347 2.424 10 0 BEAERO Cn1ccnc1C[NH2+]C1(C)CCCCC1 ZINC000045045700 344556577 /nfs/dbraw/zinc/55/65/77/344556577.db2.gz CMMTUFLZAVLTCI-UHFFFAOYSA-N 1 0 207.321 2.233 10 0 BEAERO C[C@](F)(C[NH3+])Cc1ccc(F)c(F)c1 ZINC000158221738 344569708 /nfs/dbraw/zinc/56/97/08/344569708.db2.gz RIFAGNNPKWAHNF-SNVBAGLBSA-N 1 0 203.207 2.194 10 0 BEAERO Cc1csc(C[C@@]2(F)CC[C@@H]([NH3+])C2)n1 ZINC000158289842 344580443 /nfs/dbraw/zinc/58/04/43/344580443.db2.gz FOPJIOGOBXCWJJ-PSASIEDQSA-N 1 0 214.309 2.214 10 0 BEAERO Cc1nc(C[C@@]2(F)CC[C@H]([NH3+])C2)cs1 ZINC000158300446 344583216 /nfs/dbraw/zinc/58/32/16/344583216.db2.gz IIESLCDVUMRAPT-WCBMZHEXSA-N 1 0 214.309 2.214 10 0 BEAERO CC[C@](F)(C[NH3+])c1ccc(F)c(F)c1 ZINC000158355724 344614005 /nfs/dbraw/zinc/61/40/05/344614005.db2.gz WIUMNFDZHQRDEA-JTQLQIEISA-N 1 0 203.207 2.498 10 0 BEAERO [NH3+][C@@H]1CC[C@H]1Cc1cncc(Br)c1 ZINC000161918288 344614806 /nfs/dbraw/zinc/61/48/06/344614806.db2.gz HGMLLROEXAURPJ-WCBMZHEXSA-N 1 0 241.132 2.124 10 0 BEAERO CN(C)c1cc(OC(F)(F)F)ccc1C[NH3+] ZINC000396120570 344608501 /nfs/dbraw/zinc/60/85/01/344608501.db2.gz NPQMAEMIXHRPPV-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](SC2COC2)C1 ZINC000221125350 344681856 /nfs/dbraw/zinc/68/18/56/344681856.db2.gz YSMONZBHLITDKZ-IEBDPFPHSA-N 1 0 215.362 2.024 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000051813217 178694958 /nfs/dbraw/zinc/69/49/58/178694958.db2.gz JQSOMUKPDVZPBV-TZMCWYRMSA-N 1 0 246.354 2.346 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000077364184 178697155 /nfs/dbraw/zinc/69/71/55/178697155.db2.gz HLRCIEOUSPIJEQ-GFCCVEGCSA-N 1 0 232.327 2.018 10 0 BEAERO CCC[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000227670199 344735559 /nfs/dbraw/zinc/73/55/59/344735559.db2.gz MQZRDGVMXKMALR-SNVBAGLBSA-N 1 0 230.352 2.289 10 0 BEAERO CC(=O)CC[N@@H+]1CCc2sccc2C1 ZINC000050499271 344701666 /nfs/dbraw/zinc/70/16/66/344701666.db2.gz RMFCIFJCTVNZLT-UHFFFAOYSA-N 1 0 209.314 2.085 10 0 BEAERO CC[NH2+][C@H](C)CNc1nccc(C(C)(C)C)n1 ZINC000387537528 344711806 /nfs/dbraw/zinc/71/18/06/344711806.db2.gz LMDNGTJKSJSTKT-SNVBAGLBSA-N 1 0 236.363 2.184 10 0 BEAERO C[C@@H](C[NH3+])Nc1cc(Br)ccc1F ZINC000235104256 344788403 /nfs/dbraw/zinc/78/84/03/344788403.db2.gz WFWHWWDHDFTVII-LURJTMIESA-N 1 0 247.111 2.347 10 0 BEAERO C[C@H](C(N)=S)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000166209579 344789292 /nfs/dbraw/zinc/78/92/92/344789292.db2.gz HWEUVCLNXIAYEF-BDAKNGLRSA-N 1 0 214.378 2.029 10 0 BEAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000166209464 344789472 /nfs/dbraw/zinc/78/94/72/344789472.db2.gz HWEUVCLNXIAYEF-IUCAKERBSA-N 1 0 214.378 2.029 10 0 BEAERO CS[C@H]1CCC[C@@H]([NH+]2CCC(=O)CC2)C1 ZINC000235109183 344792988 /nfs/dbraw/zinc/79/29/88/344792988.db2.gz FNMIOEMWSJDBIL-PWSUYJOCSA-N 1 0 227.373 2.326 10 0 BEAERO C[C@@H]([NH3+])/C=C/c1occc1Br ZINC000235159022 344825244 /nfs/dbraw/zinc/82/52/44/344825244.db2.gz XDBUSYUBPGYVRU-YRFDSLTASA-N 1 0 216.078 2.403 10 0 BEAERO Cc1cc([C@H]2[NH2+]CCc3nc[nH]c32)c(C)s1 ZINC000400662187 537863618 /nfs/dbraw/zinc/86/36/18/537863618.db2.gz SLTNGGFSEPBLHX-LLVKDONJSA-N 1 0 233.340 2.323 10 0 BEAERO CC(C)C1CCC2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000675053279 537864271 /nfs/dbraw/zinc/86/42/71/537864271.db2.gz MEVHDSHMIAQNHE-AKJDGMEZSA-N 1 0 225.332 2.093 10 0 BEAERO CSCCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000235170474 344832401 /nfs/dbraw/zinc/83/24/01/344832401.db2.gz HRAZRWHTYNYMFT-VXGBXAGGSA-N 1 0 231.405 2.413 10 0 BEAERO CNc1ncc(C[NH2+]C(C)C)cc1Cl ZINC000166300276 344846533 /nfs/dbraw/zinc/84/65/33/344846533.db2.gz RPLOOCDDZZHLLB-UHFFFAOYSA-N 1 0 213.712 2.275 10 0 BEAERO C[NH+](C)CC[C@@]1(C)NCCc2sccc21 ZINC000715208730 537867878 /nfs/dbraw/zinc/86/78/78/537867878.db2.gz POAVOHYAHGOMQY-GFCCVEGCSA-N 1 0 224.373 2.061 10 0 BEAERO CSC1(C[NH2+]CC[C@@H]2CCCO2)CCC1 ZINC000235230801 344852734 /nfs/dbraw/zinc/85/27/34/344852734.db2.gz JNFGSXMRJJUIOC-NSHDSACASA-N 1 0 229.389 2.431 10 0 BEAERO O=C(C[C@@H]1CCCCCC[NH2+]1)C(F)(F)F ZINC000300940797 537871019 /nfs/dbraw/zinc/87/10/19/537871019.db2.gz DOTVFKUTDHJFTK-QMMMGPOBSA-N 1 0 223.238 2.430 10 0 BEAERO CCn1cc[nH+]c1NCc1csc(C)n1 ZINC000050614160 344915329 /nfs/dbraw/zinc/91/53/29/344915329.db2.gz MMXKLRAXZIMYDL-UHFFFAOYSA-N 1 0 222.317 2.280 10 0 BEAERO C[C@@H]1CCS[C@@H]([C@@H]2CCSC2)[NH2+]1 ZINC000224675332 344965988 /nfs/dbraw/zinc/96/59/88/344965988.db2.gz LQLIJEPBHNYBSU-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO CC[C@@H]1CS[C@@H]([C@@H]2CCSC2)[NH2+]1 ZINC000224675949 344966304 /nfs/dbraw/zinc/96/63/04/344966304.db2.gz YVFCHCFLXKEWJG-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO C[C@H]1C[C@@H]1Nc1c(N)c[nH+]cc1Br ZINC000235578764 344947933 /nfs/dbraw/zinc/94/79/33/344947933.db2.gz FWIMBYKGIWHDFY-XNCJUZBTSA-N 1 0 242.120 2.247 10 0 BEAERO CC(C)[C@@H]1CC[N@H+](C[C@@H]2CCCC2=O)C1 ZINC000166648556 344950717 /nfs/dbraw/zinc/95/07/17/344950717.db2.gz HNBLJIWPRKSHQA-NEPJUHHUSA-N 1 0 209.333 2.334 10 0 BEAERO [NH3+][C@@H](CCO)c1c(F)ccc(F)c1Cl ZINC000044233472 344989045 /nfs/dbraw/zinc/98/90/45/344989045.db2.gz AXYNUPIGLYEZCJ-ZETCQYMHSA-N 1 0 221.634 2.000 10 0 BEAERO Cc1ccc(Cl)c([C@@H]([NH3+])CCO)c1F ZINC000044233460 344989208 /nfs/dbraw/zinc/98/92/08/344989208.db2.gz DRDMBMKKHYQRNE-QMMMGPOBSA-N 1 0 217.671 2.170 10 0 BEAERO Brc1ccc([C@@H]2CC[NH2+]2)o1 ZINC000044257473 344996583 /nfs/dbraw/zinc/99/65/83/344996583.db2.gz PGFVFTGJTUZWMS-YFKPBYRVSA-N 1 0 202.051 2.077 10 0 BEAERO CCC(CC)C[N@H+](CC)[C@@H]1CCCCNC1=O ZINC000153902640 345000378 /nfs/dbraw/zinc/00/03/78/345000378.db2.gz PJJGRLKBAHCWEI-CYBMUJFWSA-N 1 0 240.391 2.413 10 0 BEAERO CC[C@@H]([NH3+])c1coc(Br)c1 ZINC000238286243 345009186 /nfs/dbraw/zinc/00/91/86/345009186.db2.gz HKFIFIBCVZAWTA-ZCFIWIBFSA-N 1 0 204.067 2.452 10 0 BEAERO COc1cc(Br)ccc1[C@H]([NH3+])CF ZINC000238457351 345049427 /nfs/dbraw/zinc/04/94/27/345049427.db2.gz VCUWVMFRWSFDRC-MRVPVSSYSA-N 1 0 248.095 2.427 10 0 BEAERO C[C@H](N[C@H]1CCCC[C@H]1[NH3+])c1ccccn1 ZINC000248021959 345015247 /nfs/dbraw/zinc/01/52/47/345015247.db2.gz JCWKVGUESLPLOG-LOWVWBTDSA-N 1 0 219.332 2.002 10 0 BEAERO C[C@@H](c1ccco1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000248092917 345039195 /nfs/dbraw/zinc/03/91/95/345039195.db2.gz WGSUSMLEWQYMSA-NWDGAFQWSA-N 1 0 222.332 2.415 10 0 BEAERO [NH3+]Cc1cnc(OC(F)(F)F)cc1Cl ZINC000238570245 345080591 /nfs/dbraw/zinc/08/05/91/345080591.db2.gz ZIPZXJKHSMZHOO-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Cc1cc(Br)ccc1O[C@@H](C)C[NH3+] ZINC000011946857 345082447 /nfs/dbraw/zinc/08/24/47/345082447.db2.gz VJZBBXIFRCORLX-QMMMGPOBSA-N 1 0 244.132 2.484 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000082432803 345059226 /nfs/dbraw/zinc/05/92/26/345059226.db2.gz KZDFSZQRCXODTG-KOLCDFICSA-N 1 0 215.300 2.071 10 0 BEAERO Cc1ccc(OC[C@H]2CCC[NH2+]2)cc1C ZINC000043496492 178815124 /nfs/dbraw/zinc/81/51/24/178815124.db2.gz SOWNGAJTEBNNPO-GFCCVEGCSA-N 1 0 205.301 2.434 10 0 BEAERO C[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1Cl ZINC000011958145 345089625 /nfs/dbraw/zinc/08/96/25/345089625.db2.gz ZHJOPQTZMDVGSF-YFKPBYRVSA-N 1 0 233.098 2.279 10 0 BEAERO [NH3+]Cc1cc(Cl)c(OC(F)(F)F)cn1 ZINC000238656056 345102618 /nfs/dbraw/zinc/10/26/18/345102618.db2.gz RDSUICNTNDAHFV-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Cc1ccc([C@@H](C)[NH3+])c(OCc2ncccn2)c1 ZINC000110958705 178834691 /nfs/dbraw/zinc/83/46/91/178834691.db2.gz IKDDPTRIFUTXCP-LLVKDONJSA-N 1 0 243.310 2.384 10 0 BEAERO CCC1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000375807605 168521697 /nfs/dbraw/zinc/52/16/97/168521697.db2.gz RDGRQONBNIRDQS-UMHABRDISA-N 1 0 223.360 2.437 10 0 BEAERO CCC1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000038005627 168522284 /nfs/dbraw/zinc/52/22/84/168522284.db2.gz RNAJSVXIROAEOL-UHFFFAOYSA-N 1 0 207.321 2.468 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(N)cc(Cl)c1 ZINC000148031901 345194819 /nfs/dbraw/zinc/19/48/19/345194819.db2.gz FDVANGJZRUXAGM-WRWORJQWSA-N 1 0 210.708 2.420 10 0 BEAERO CCC(O)(CC)C[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000626112040 345277567 /nfs/dbraw/zinc/27/75/67/345277567.db2.gz LKWHJVILAXWIFY-STQMWFEESA-N 1 0 243.391 2.020 10 0 BEAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC000158726602 345370594 /nfs/dbraw/zinc/37/05/94/345370594.db2.gz PQCANQYWGJJZPB-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1cnn([C@H](C[NH3+])c2ccc(C)cc2)c1 ZINC000042906774 178856738 /nfs/dbraw/zinc/85/67/38/178856738.db2.gz ZJEYOIJOKAUVAZ-CYBMUJFWSA-N 1 0 215.300 2.048 10 0 BEAERO C[C@H](C[NH3+])Oc1ccc(Cl)c(F)c1 ZINC000134370242 345410820 /nfs/dbraw/zinc/41/08/20/345410820.db2.gz QEOBDCPQZHZNOH-ZCFIWIBFSA-N 1 0 203.644 2.205 10 0 BEAERO CC[C@@H](O)CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000135026349 345429827 /nfs/dbraw/zinc/42/98/27/345429827.db2.gz IYWKDASJWJZFEI-CYBMUJFWSA-N 1 0 237.343 2.260 10 0 BEAERO O=C1CCCC[C@@H]1[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000229128505 345439966 /nfs/dbraw/zinc/43/99/66/345439966.db2.gz HDGHIIMJQRNEFX-MRBYEJRBSA-N 1 0 207.317 2.134 10 0 BEAERO Cc1ccc([C@@H](O)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000036159974 178868187 /nfs/dbraw/zinc/86/81/87/178868187.db2.gz RFPMTOASSHPUDL-OCCSQVGLSA-N 1 0 219.328 2.336 10 0 BEAERO CC1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136136770 345480361 /nfs/dbraw/zinc/48/03/61/345480361.db2.gz RCIPVUIXGYMZHN-ORHYLEIMSA-N 1 0 238.375 2.214 10 0 BEAERO COc1cc(F)cc(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000090972462 345577756 /nfs/dbraw/zinc/57/77/56/345577756.db2.gz NXJDRRJQMISCNV-RNCFNFMXSA-N 1 0 239.290 2.101 10 0 BEAERO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2CO)C[C@@H]1C ZINC000378768476 345560719 /nfs/dbraw/zinc/56/07/19/345560719.db2.gz DSPQMTSHFUTEJU-PDWCTOEPSA-N 1 0 225.376 2.418 10 0 BEAERO Cc1ccc([C@H](C)[NH3+])c(O[C@@H]2CCC[C@@H]2O)c1 ZINC000104327693 178884880 /nfs/dbraw/zinc/88/48/80/178884880.db2.gz NBJUPJRLHJDHGV-WCFLWFBJSA-N 1 0 235.327 2.307 10 0 BEAERO Cc1ccc(Cn2cc[nH+]c2N)c(Cl)c1 ZINC000404784301 537904521 /nfs/dbraw/zinc/90/45/21/537904521.db2.gz RZIURPQIMXSMBH-UHFFFAOYSA-N 1 0 221.691 2.306 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000393635781 259384216 /nfs/dbraw/zinc/38/42/16/259384216.db2.gz WDGGRNIIJIFDSB-WOPDTQHZSA-N 1 0 215.312 2.283 10 0 BEAERO C[C@H](c1cccs1)[N@@H+]1CCC[C@H]1CO ZINC000253605913 345692306 /nfs/dbraw/zinc/69/23/06/345692306.db2.gz FOSBXQVJASKAAC-ZJUUUORDSA-N 1 0 211.330 2.266 10 0 BEAERO OCc1ccc(F)c(C[NH+]2CCCCC2)c1 ZINC000213095851 345740592 /nfs/dbraw/zinc/74/05/92/345740592.db2.gz RFVZOXYPILDQOA-UHFFFAOYSA-N 1 0 223.291 2.304 10 0 BEAERO C[N@@H+](C/C=C\c1ccccc1)CCCCO ZINC000215717373 345742693 /nfs/dbraw/zinc/74/26/93/345742693.db2.gz YZPOVOSUDQLAKX-YFHOEESVSA-N 1 0 219.328 2.404 10 0 BEAERO CNc1cccc([C@H](CN2CCCC2)[NH2+]C)c1 ZINC000082004694 345750873 /nfs/dbraw/zinc/75/08/73/345750873.db2.gz IRTLLUMFSZFWDU-AWEZNQCLSA-N 1 0 233.359 2.085 10 0 BEAERO CC(C)(C)C(=O)COc1ccc(C[NH3+])cc1 ZINC000113986337 345755222 /nfs/dbraw/zinc/75/52/22/345755222.db2.gz RMDPPBQGVGISPZ-UHFFFAOYSA-N 1 0 221.300 2.139 10 0 BEAERO C[N@@H+]1CCCC[C@](CCO)(c2cccc(O)c2)C1 ZINC000114058040 345755985 /nfs/dbraw/zinc/75/59/85/345755985.db2.gz PRKJAKUJSREAEX-OAHLLOKOSA-N 1 0 249.354 2.128 10 0 BEAERO CCC[N@@H+]1CCNc2c(N)cccc2[C@@H]1C ZINC000034116919 345817151 /nfs/dbraw/zinc/81/71/51/345817151.db2.gz YFKIZFLBXXMVEC-JTQLQIEISA-N 1 0 219.332 2.467 10 0 BEAERO Cc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc(Cl)n1 ZINC000257353632 345774422 /nfs/dbraw/zinc/77/44/22/345774422.db2.gz SEQMVJLENFIUSZ-KYZUINATSA-N 1 0 240.738 2.120 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1c1noc(-c2cccs2)n1 ZINC000257593118 345781053 /nfs/dbraw/zinc/78/10/53/345781053.db2.gz AFTBGKZVVZUXCY-SFYZADRCSA-N 1 0 235.312 2.393 10 0 BEAERO CCOC(=O)N1CC[C@H]([NH3+])c2ccccc21 ZINC000070601218 345789991 /nfs/dbraw/zinc/78/99/91/345789991.db2.gz UKBDZSBYVQNGRC-JTQLQIEISA-N 1 0 220.272 2.053 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2csc(Cl)c2)O1 ZINC000235710741 345792610 /nfs/dbraw/zinc/79/26/10/345792610.db2.gz DNKSKKOOUVBFHE-XPUUQOCRSA-N 1 0 217.721 2.451 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH3+])c1cccnc1CO2 ZINC000167590873 345794243 /nfs/dbraw/zinc/79/42/43/345794243.db2.gz AEGWOKLUIJHABT-CQSZACIVSA-N 1 0 242.278 2.031 10 0 BEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])n2ccnc2)cc1 ZINC000042910088 178917523 /nfs/dbraw/zinc/91/75/23/178917523.db2.gz VVMXISKENUNXJZ-YPMHNXCESA-N 1 0 215.300 2.128 10 0 BEAERO Cc1cc(C2=CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000168806171 345822599 /nfs/dbraw/zinc/82/25/99/345822599.db2.gz KQYAVYWQQSQMRT-UHFFFAOYSA-N 1 0 218.256 2.280 10 0 BEAERO Cc1cc(C)c(C(=O)C(C)(C)[NH3+])c(F)c1 ZINC000235743087 345842497 /nfs/dbraw/zinc/84/24/97/345842497.db2.gz VDHUJKTUOTUMQK-UHFFFAOYSA-N 1 0 209.264 2.363 10 0 BEAERO CC[C@]1(C)Cc2cccc(OCC[NH3+])c2O1 ZINC000035259205 345846936 /nfs/dbraw/zinc/84/69/36/345846936.db2.gz QFHZZHMZQJAMJG-CYBMUJFWSA-N 1 0 221.300 2.128 10 0 BEAERO COc1ccc2c3c1[C@@H](C[NH3+])CCC[C@@H]3CO2 ZINC000035049939 345846990 /nfs/dbraw/zinc/84/69/90/345846990.db2.gz IYUCMLOTRIBKPG-NXEZZACHSA-N 1 0 233.311 2.397 10 0 BEAERO [NH3+]CCCn1c2ccccc2c2c1CCC2 ZINC000075624477 345864466 /nfs/dbraw/zinc/86/44/66/345864466.db2.gz SHVPCOISFUHYOH-UHFFFAOYSA-N 1 0 214.312 2.479 10 0 BEAERO COCOc1cc(C[NH3+])ccc1-c1cccnc1 ZINC000140857076 345858325 /nfs/dbraw/zinc/85/83/25/345858325.db2.gz MDAYXYFCMIIGQY-UHFFFAOYSA-N 1 0 244.294 2.190 10 0 BEAERO COc1ccccc1C[C@@H]1[NH2+]CCC(=O)C1(C)C ZINC000034397837 345824594 /nfs/dbraw/zinc/82/45/94/345824594.db2.gz SFRLBDFHRVVIRX-ZDUSSCGKSA-N 1 0 247.338 2.195 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000074010480 537912730 /nfs/dbraw/zinc/91/27/30/537912730.db2.gz YDXVZAXBJZIPGH-VXGBXAGGSA-N 1 0 224.735 2.434 10 0 BEAERO COc1ccc2c(c1)C[C@@H](CC[NH+](C)C)C2=O ZINC000034432555 345833550 /nfs/dbraw/zinc/83/35/50/345833550.db2.gz KNYFXBDLDVROFU-SNVBAGLBSA-N 1 0 233.311 2.002 10 0 BEAERO C#CC[NH2+][C@@H]1CCc2cc3sc(N)nc3cc21 ZINC000034456273 345834005 /nfs/dbraw/zinc/83/40/05/345834005.db2.gz BASKSUQYNYUZRG-SNVBAGLBSA-N 1 0 243.335 2.089 10 0 BEAERO Cc1ccc2c(c1)C=C(C[C@H]([NH3+])CN)CC2 ZINC000034482116 345835330 /nfs/dbraw/zinc/83/53/30/345835330.db2.gz PTMQQFIDAOXRNJ-AWEZNQCLSA-N 1 0 216.328 2.001 10 0 BEAERO CC(C)(C[NH3+])CC(=O)OCc1ccccc1 ZINC000169087386 345835773 /nfs/dbraw/zinc/83/57/73/345835773.db2.gz JJNXGIUPOFWWBY-UHFFFAOYSA-N 1 0 221.300 2.105 10 0 BEAERO Cc1ccc([S@@](=O)C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000083309203 178933182 /nfs/dbraw/zinc/93/31/82/178933182.db2.gz OBRPSLOAYLJSJI-MLGOLLRUSA-N 1 0 237.368 2.163 10 0 BEAERO COc1ccc(C[C@@H]2C=CCC[N@@H+]2C)cc1 ZINC000143415300 345865479 /nfs/dbraw/zinc/86/54/79/345865479.db2.gz LIHKEIFCASSTAF-ZDUSSCGKSA-N 1 0 217.312 2.498 10 0 BEAERO [NH3+]CC1([C@@H](O)c2cc(Cl)cs2)CC1 ZINC000306736550 537916985 /nfs/dbraw/zinc/91/69/85/537916985.db2.gz XPETUTGEDUSUOU-QMMMGPOBSA-N 1 0 217.721 2.174 10 0 BEAERO COCC[C@]1(C)[NH2+]CCc2sccc21 ZINC000307415910 537922049 /nfs/dbraw/zinc/92/20/49/537922049.db2.gz NEIVAUCVNFQQSD-NSHDSACASA-N 1 0 211.330 2.146 10 0 BEAERO Cc1nc(C[C@@H](F)[C@@H]2CCC[NH2+]2)cs1 ZINC000235930473 345965451 /nfs/dbraw/zinc/96/54/51/345965451.db2.gz NWUCMVURZJNOQZ-ZJUUUORDSA-N 1 0 214.309 2.084 10 0 BEAERO CCCCNc1cc(N)[nH+]c(C2CC2)n1 ZINC000087908992 345940255 /nfs/dbraw/zinc/94/02/55/345940255.db2.gz HDOKKRIQIGKMJZ-UHFFFAOYSA-N 1 0 206.293 2.148 10 0 BEAERO CCCN(CCC)c1cc(NC)[nH+]c(C)n1 ZINC000087806264 345941882 /nfs/dbraw/zinc/94/18/82/345941882.db2.gz ZOPAVUHHFULMAV-UHFFFAOYSA-N 1 0 222.336 2.453 10 0 BEAERO Cc1ccc(Br)c(F)c1C[NH3+] ZINC000075915304 537931879 /nfs/dbraw/zinc/93/18/79/537931879.db2.gz KTHQWKOWFZHOTF-UHFFFAOYSA-N 1 0 218.069 2.355 10 0 BEAERO C[C@@H](c1ccco1)[N@@H+]1CCC[C@H](CO)C1 ZINC000095089077 346024745 /nfs/dbraw/zinc/02/47/45/346024745.db2.gz NCWYDXBZXZRAQK-QWRGUYRKSA-N 1 0 209.289 2.045 10 0 BEAERO Cc1ccc(-c2ccc(C=O)s2)c(C[NH3+])n1 ZINC000669372658 537950578 /nfs/dbraw/zinc/95/05/78/537950578.db2.gz VRCOTLUYCLUVBW-UHFFFAOYSA-N 1 0 232.308 2.390 10 0 BEAERO C[C@H]([NH3+])C(=O)Cc1ccc(Cl)cc1Cl ZINC000136387849 346206816 /nfs/dbraw/zinc/20/68/16/346206816.db2.gz AVOJNPPITIRZDM-LURJTMIESA-N 1 0 232.110 2.452 10 0 BEAERO C[C@@H]([NH3+])C(=O)Cc1ccc(Cl)cc1Cl ZINC000136387895 346206871 /nfs/dbraw/zinc/20/68/71/346206871.db2.gz AVOJNPPITIRZDM-ZCFIWIBFSA-N 1 0 232.110 2.452 10 0 BEAERO [NH3+]CC1(Nc2cccc(Br)c2)CC1 ZINC000236234156 346213484 /nfs/dbraw/zinc/21/34/84/346213484.db2.gz YFVQUGYNXRZLSI-UHFFFAOYSA-N 1 0 241.132 2.352 10 0 BEAERO CCC1(C)CCC([NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000380308019 346234497 /nfs/dbraw/zinc/23/44/97/346234497.db2.gz GEXDRXWDHOYBEO-GMKTYKIGSA-N 1 0 211.349 2.316 10 0 BEAERO [NH3+]C1CC(=Cc2cncc(Br)c2)C1 ZINC000236277347 346218194 /nfs/dbraw/zinc/21/81/94/346218194.db2.gz YNOUHHRRZTXLAB-UHFFFAOYSA-N 1 0 239.116 2.349 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1ccc(F)cc1Br ZINC000236320338 346224638 /nfs/dbraw/zinc/22/46/38/346224638.db2.gz PROLMMOPEODFKB-CBAPKCEASA-N 1 0 230.080 2.403 10 0 BEAERO Cc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1C ZINC000170863436 179011002 /nfs/dbraw/zinc/01/10/02/179011002.db2.gz ICUPZLIGQHSJOW-ZDUSSCGKSA-N 1 0 246.354 2.080 10 0 BEAERO CC(C)C1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000675051802 537962187 /nfs/dbraw/zinc/96/21/87/537962187.db2.gz UMTLHDJJGLVRAO-UHFFFAOYSA-N 1 0 222.336 2.124 10 0 BEAERO Cc1cccc(C(=O)N[C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000035690734 179023372 /nfs/dbraw/zinc/02/33/72/179023372.db2.gz VWLKWIKPZWUPJN-TZMCWYRMSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1C ZINC000038048675 179024217 /nfs/dbraw/zinc/02/42/17/179024217.db2.gz SPMXWGXAZDUCPG-KGLIPLIRSA-N 1 0 246.354 2.303 10 0 BEAERO NC(=[NH2+])c1ccc(Cl)c2cccnc12 ZINC000159286787 349947684 /nfs/dbraw/zinc/94/76/84/349947684.db2.gz LCAZAYHHESOADX-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO C[C@H]1C[C@H]([C@](O)(C[NH3+])C(F)(F)F)C[C@@H](C)C1 ZINC000675052610 537964342 /nfs/dbraw/zinc/96/43/42/537964342.db2.gz GTXZWDVSRKYPOE-XFWSIPNHSA-N 1 0 239.281 2.311 10 0 BEAERO CC1(C)C[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062609110 346290888 /nfs/dbraw/zinc/29/08/88/346290888.db2.gz GRLPGXXRGGUACN-UHFFFAOYSA-N 1 0 218.344 2.261 10 0 BEAERO Cc1cccc(C)c1OC[C@H]1CCC[NH2+]1 ZINC000038998635 179047336 /nfs/dbraw/zinc/04/73/36/179047336.db2.gz XZFVUFDPZHMEKY-GFCCVEGCSA-N 1 0 205.301 2.434 10 0 BEAERO Cc1cccc(C2([NH3+])CCOCC2)c1C ZINC000063077162 179051086 /nfs/dbraw/zinc/05/10/86/179051086.db2.gz VBEVKDSXKFKXEN-UHFFFAOYSA-N 1 0 205.301 2.268 10 0 BEAERO Cc1cccc(CC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000082366236 179053158 /nfs/dbraw/zinc/05/31/58/179053158.db2.gz LXEGCVDGSMSBNI-CYBMUJFWSA-N 1 0 219.328 2.480 10 0 BEAERO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309518464 347091209 /nfs/dbraw/zinc/09/12/09/347091209.db2.gz ZKSLJFZPVSRBSB-NOOOWODRSA-N 1 0 229.339 2.264 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@@]1(O)c1ccc(Cl)s1 ZINC000229562287 346400428 /nfs/dbraw/zinc/40/04/28/346400428.db2.gz YIVDSVAUZOECRN-XCBNKYQSSA-N 1 0 231.748 2.219 10 0 BEAERO Cc1cccc(CN(CCC(N)=[NH2+])C2CC2)c1 ZINC000042547931 179070869 /nfs/dbraw/zinc/07/08/69/179070869.db2.gz SSVCZOMTXJITSK-UHFFFAOYSA-N 1 0 231.343 2.285 10 0 BEAERO Cc1cccc(CNC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000048266311 179086835 /nfs/dbraw/zinc/08/68/35/179086835.db2.gz JZKZVONTOBMWNN-JSGCOSHPSA-N 1 0 246.354 2.142 10 0 BEAERO Cc1cccc(CNC(=O)[C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000048266312 179088205 /nfs/dbraw/zinc/08/82/05/179088205.db2.gz JZKZVONTOBMWNN-GXTWGEPZSA-N 1 0 246.354 2.142 10 0 BEAERO CC1=NN(C)C(=O)C1c1ccc([C@@H](C)[NH3+])cc1 ZINC000675054934 537980888 /nfs/dbraw/zinc/98/08/88/537980888.db2.gz WVEVPCLZYUTHEE-MRVPVSSYSA-N 1 0 231.299 2.121 10 0 BEAERO CCC(F)(F)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000641799315 362749133 /nfs/dbraw/zinc/74/91/33/362749133.db2.gz TZQPVSXSCIFJRE-SNVBAGLBSA-N 1 0 220.307 2.106 10 0 BEAERO Cc1cccc(C[NH2+]Cc2ccnc(C)n2)c1 ZINC000037997725 179096817 /nfs/dbraw/zinc/09/68/17/179096817.db2.gz QUKRAKHIUIWUAJ-UHFFFAOYSA-N 1 0 227.311 2.383 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])[C@@H]1CO[C@@H](C)C1 ZINC000162020046 346506395 /nfs/dbraw/zinc/50/63/95/346506395.db2.gz PQSZCVPNSNYYMV-LPEHRKFASA-N 1 0 211.330 2.481 10 0 BEAERO Cc1cccc(C[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000123186731 179099629 /nfs/dbraw/zinc/09/96/29/179099629.db2.gz YODASVRVBOEVSM-VXGBXAGGSA-N 1 0 207.317 2.102 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037164501 179101506 /nfs/dbraw/zinc/10/15/06/179101506.db2.gz WBCXLTOKDPYIMH-KBPBESRZSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1cccc(C[C@H]2CSC[C@H]2[NH3+])c1 ZINC000098099610 179106368 /nfs/dbraw/zinc/10/63/68/179106368.db2.gz IHTMGNPLJGQRNP-NWDGAFQWSA-N 1 0 207.342 2.228 10 0 BEAERO c1nnc([C@@H]2CCCC[N@H+]2C2CCCC2)[nH]1 ZINC000182698992 347102963 /nfs/dbraw/zinc/10/29/63/347102963.db2.gz BXBIMPWQTIXRKE-NSHDSACASA-N 1 0 220.320 2.274 10 0 BEAERO Cc1cccc(Cn2ccc(CC[NH3+])c2)c1 ZINC000071519075 179109441 /nfs/dbraw/zinc/10/94/41/179109441.db2.gz IWRPKROXDLCFQB-UHFFFAOYSA-N 1 0 214.312 2.346 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1ccc(Br)cc1 ZINC000164023513 346587043 /nfs/dbraw/zinc/58/70/43/346587043.db2.gz MKAZFJATWQHEHT-ZETCQYMHSA-N 1 0 242.116 2.369 10 0 BEAERO C[C@@H]([NH3+])C[C@H](O)c1ccc(F)c(Cl)c1 ZINC000164149262 346593218 /nfs/dbraw/zinc/59/32/18/346593218.db2.gz UJZHWFUCGDICAW-LDWIPMOCSA-N 1 0 217.671 2.250 10 0 BEAERO COC1CCC2(CC1)[NH2+]CC[C@@H](C)S2 ZINC000164327757 346601780 /nfs/dbraw/zinc/60/17/80/346601780.db2.gz QOHBTBUNSZFEDQ-KPPDAEKUSA-N 1 0 215.362 2.387 10 0 BEAERO Cc1cccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)n1 ZINC000050940728 179126194 /nfs/dbraw/zinc/12/61/94/179126194.db2.gz NHPVYXSZNXGLLX-LBPRGKRZSA-N 1 0 247.342 2.251 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1cc(F)ccc1Cl ZINC000164551401 346608938 /nfs/dbraw/zinc/60/89/38/346608938.db2.gz HVZMWBZKMXZXGM-LURJTMIESA-N 1 0 215.655 2.399 10 0 BEAERO Cc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049855 179136722 /nfs/dbraw/zinc/13/67/22/179136722.db2.gz DIEIKIRLBHGUNQ-QWHCGFSZSA-N 1 0 247.342 2.386 10 0 BEAERO Cc1cccc(NC(=O)N(C)C[C@@H](C)C[NH3+])c1 ZINC000042455480 179130093 /nfs/dbraw/zinc/13/00/93/179130093.db2.gz FVCZTGZZJUJIRO-NSHDSACASA-N 1 0 235.331 2.054 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000019517114 179141854 /nfs/dbraw/zinc/14/18/54/179141854.db2.gz NSETVEYXEVMFNK-RYUDHWBXSA-N 1 0 232.327 2.322 10 0 BEAERO C[C@H]([NH2+]Cc1[nH]nc2ccccc21)[C@@H]1CCCO1 ZINC000589641335 346721705 /nfs/dbraw/zinc/72/17/05/346721705.db2.gz NKSYFBKULBVPBK-HZMBPMFUSA-N 1 0 245.326 2.220 10 0 BEAERO [NH3+]C[C@@]1(CC2CCOCC2)CCCS1 ZINC000166507683 346678144 /nfs/dbraw/zinc/67/81/44/346678144.db2.gz PEGFMKABZSYVSA-NSHDSACASA-N 1 0 215.362 2.028 10 0 BEAERO CCCC(CCC)[NH2+]CCN(C)CC ZINC000054109743 1172087755 /nfs/dbraw/zinc/08/77/55/1172087755.db2.gz PIOUCCIHKFUPNJ-UHFFFAOYSA-N 1 0 200.370 2.497 10 0 BEAERO Cc1cccc(NCCN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000062974126 179144867 /nfs/dbraw/zinc/14/48/67/179144867.db2.gz UKZFXAPRTXLFRR-OAHLLOKOSA-N 1 0 247.386 2.043 10 0 BEAERO Cc1cccc(NCC[NH+]2CCSCC2)c1 ZINC000053374268 179145452 /nfs/dbraw/zinc/14/54/52/179145452.db2.gz MRCCBOLAADRJJC-UHFFFAOYSA-N 1 0 236.384 2.456 10 0 BEAERO O=C(c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000169286357 346758896 /nfs/dbraw/zinc/75/88/96/346758896.db2.gz FVXLIYNOHHFINU-LURJTMIESA-N 1 0 215.705 2.194 10 0 BEAERO Cc1cccc(N[C@H](C)CCCC[NH3+])n1 ZINC000336682153 179155969 /nfs/dbraw/zinc/15/59/69/179155969.db2.gz JFKCESPYOMYJHR-SNVBAGLBSA-N 1 0 207.321 2.319 10 0 BEAERO CCCC[C@]1(CC)[NH2+]CCc2ncn(C)c21 ZINC000725242713 537986231 /nfs/dbraw/zinc/98/62/31/537986231.db2.gz MUFXFAYFEZSPNJ-ZDUSSCGKSA-N 1 0 221.348 2.361 10 0 BEAERO Cc1cccc(OCCCN2CC[NH2+]C[C@@H]2C)c1 ZINC000054372814 179164562 /nfs/dbraw/zinc/16/45/62/179164562.db2.gz BQSGKKOQGVVABA-AWEZNQCLSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1cccc(OCCSCC[NH3+])c1 ZINC000020399314 179169720 /nfs/dbraw/zinc/16/97/20/179169720.db2.gz WEXRUEVUHOHMTP-UHFFFAOYSA-N 1 0 211.330 2.066 10 0 BEAERO C[C@@H]([NH2+][C@@H]1C[C@H]1CO)C1CCCCCC1 ZINC000378664115 346800627 /nfs/dbraw/zinc/80/06/27/346800627.db2.gz DUSUGTZVIMGXOA-KGYLQXTDSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1cccc(OCC[NH2+]C[C@@H]2CCCO2)c1C ZINC000053565315 179167794 /nfs/dbraw/zinc/16/77/94/179167794.db2.gz KSSYWQLUPPWDBH-AWEZNQCLSA-N 1 0 249.354 2.451 10 0 BEAERO Cc1cccc(OCC[NH2+]C[C@H]2CCCO2)c1C ZINC000053565317 179168403 /nfs/dbraw/zinc/16/84/03/179168403.db2.gz KSSYWQLUPPWDBH-CQSZACIVSA-N 1 0 249.354 2.451 10 0 BEAERO Cc1cccc(OCC[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000042896654 179168769 /nfs/dbraw/zinc/16/87/69/179168769.db2.gz QQANFLAAPLMHAL-GJZGRUSLSA-N 1 0 249.354 2.267 10 0 BEAERO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309615969 347122402 /nfs/dbraw/zinc/12/24/02/347122402.db2.gz NVWGOILUJDPQMY-QJPTWQEYSA-N 1 0 226.364 2.068 10 0 BEAERO Cc1cccc(OCc2cc(C[NH3+])no2)c1 ZINC000052666879 179172580 /nfs/dbraw/zinc/17/25/80/179172580.db2.gz MJEIPEIZILTSHI-UHFFFAOYSA-N 1 0 218.256 2.021 10 0 BEAERO Cc1nnc(CN[C@H](C)c2cccc(C)c2)[nH]1 ZINC000358050357 179183365 /nfs/dbraw/zinc/18/33/65/179183365.db2.gz SZGUBWLICVKEAL-SNVBAGLBSA-N 1 0 230.315 2.272 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])OC[C@H]2CCOC2)c1 ZINC000042969468 179184154 /nfs/dbraw/zinc/18/41/54/179184154.db2.gz GTMMXBDUKQKZMJ-GXTWGEPZSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])OCCOC(C)C)c1 ZINC000042968529 179184982 /nfs/dbraw/zinc/18/49/82/179184982.db2.gz IMCCAWURHAMDEG-CQSZACIVSA-N 1 0 237.343 2.436 10 0 BEAERO Cc1cccc([C@@H](CN)[N@@H+]2CC[C@H](C)C2)c1 ZINC000042278862 179185048 /nfs/dbraw/zinc/18/50/48/179185048.db2.gz GYUBDCLMWFRYSC-GXTWGEPZSA-N 1 0 218.344 2.337 10 0 BEAERO Cc1cnn([C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000042967807 179185085 /nfs/dbraw/zinc/18/50/85/179185085.db2.gz OUANAONAADMYRN-CYBMUJFWSA-N 1 0 215.300 2.048 10 0 BEAERO COc1cccc2c1C[C@]1(CCCC[NH2+]1)CO2 ZINC000039020073 347175284 /nfs/dbraw/zinc/17/52/84/347175284.db2.gz DMXNWPPPNAXGOX-CQSZACIVSA-N 1 0 233.311 2.142 10 0 BEAERO Cc1nccn1[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042967755 179188740 /nfs/dbraw/zinc/18/87/40/179188740.db2.gz MFJMNCYZUBVVNS-SMDDNHRTSA-N 1 0 229.327 2.437 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)C(C)(C)C ZINC000310002917 347218004 /nfs/dbraw/zinc/21/80/04/347218004.db2.gz FMRHAAFOYFBNDF-GHMZBOCLSA-N 1 0 226.364 2.022 10 0 BEAERO CCCC[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000310033673 347221027 /nfs/dbraw/zinc/22/10/27/347221027.db2.gz SBWYBHPSKOTWHQ-GHMZBOCLSA-N 1 0 226.364 2.212 10 0 BEAERO Cc1nc(C)n([C@@H](c2cccc(C)c2)[C@H](C)[NH3+])n1 ZINC000042967863 179190007 /nfs/dbraw/zinc/19/00/07/179190007.db2.gz DZVVWJHQFQMRLK-IINYFYTJSA-N 1 0 244.342 2.140 10 0 BEAERO Cc1cc(F)ccc1C(=O)[C@H]([NH3+])C(C)C ZINC000167824411 347243701 /nfs/dbraw/zinc/24/37/01/347243701.db2.gz XNXFMKKWABGHOE-LLVKDONJSA-N 1 0 209.264 2.300 10 0 BEAERO Cc1cccc([C@H]([C@H](C)[NH3+])n2cccn2)c1 ZINC000042967726 179204278 /nfs/dbraw/zinc/20/42/78/179204278.db2.gz PCULPZGXXNYLSR-AAEUAGOBSA-N 1 0 215.300 2.128 10 0 BEAERO CC(C)N1CC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250491724 362805995 /nfs/dbraw/zinc/80/59/95/362805995.db2.gz HGMGTWFYVBZVMA-GHMZBOCLSA-N 1 0 210.346 2.231 10 0 BEAERO Cc1cc(C)n([C@@H](C[NH3+])c2cccc(C)c2)n1 ZINC000042967762 179200518 /nfs/dbraw/zinc/20/05/18/179200518.db2.gz NOPLCZXNWYNVMX-AWEZNQCLSA-N 1 0 229.327 2.356 10 0 BEAERO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCCOCC2)c1 ZINC000061914206 179203514 /nfs/dbraw/zinc/20/35/14/179203514.db2.gz UPOGXHKVUKWUOM-ZFWWWQNUSA-N 1 0 248.370 2.106 10 0 BEAERO CC(C)C1([NH2+]Cc2ccnc(C#N)c2)CC1 ZINC000382111206 347331765 /nfs/dbraw/zinc/33/17/65/347331765.db2.gz KLHLZDAFQYMSMN-UHFFFAOYSA-N 1 0 215.300 2.231 10 0 BEAERO Cc1cccc2c([C@@H](O)CCC[NH3+])c[nH]c21 ZINC000074082613 179212397 /nfs/dbraw/zinc/21/23/97/179212397.db2.gz NDAMHBMXSCASHX-LBPRGKRZSA-N 1 0 218.300 2.249 10 0 BEAERO Cc1c(Cl)nc[nH+]c1NN1CCCCC1 ZINC000149627707 347379407 /nfs/dbraw/zinc/37/94/07/347379407.db2.gz CWALWBNNLDMJSM-UHFFFAOYSA-N 1 0 226.711 2.251 10 0 BEAERO O=C1CC[C@H]([N@@H+]2CC[C@H]3CCCC[C@@H]32)C1 ZINC000250824596 362823517 /nfs/dbraw/zinc/82/35/17/362823517.db2.gz HBZOWCMHLJEJQJ-MDZLAQPJSA-N 1 0 207.317 2.373 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000193131977 347391461 /nfs/dbraw/zinc/39/14/61/347391461.db2.gz KHNGZFSFXKADSU-UTUOFQBUSA-N 1 0 248.374 2.007 10 0 BEAERO Cc1cccc2oc([C@@H](C)N3CC[NH2+]CC3)nc21 ZINC000051658365 179233324 /nfs/dbraw/zinc/23/33/24/179233324.db2.gz DSVUPRODTANGJF-LLVKDONJSA-N 1 0 245.326 2.102 10 0 BEAERO CC[C@H]1CO[C@@H](c2ccc(C)s2)C[NH2+]1 ZINC000036672935 347430538 /nfs/dbraw/zinc/43/05/38/347430538.db2.gz QUTDVMSSCDOOCP-VHSXEESVSA-N 1 0 211.330 2.496 10 0 BEAERO CC(C)CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195042451 347440724 /nfs/dbraw/zinc/44/07/24/347440724.db2.gz FLJCYHYOWXFUPO-CYBMUJFWSA-N 1 0 238.375 2.119 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1Cc1csc(N)n1 ZINC000036723494 347445852 /nfs/dbraw/zinc/44/58/52/347445852.db2.gz DKLRVBIDGBAVFB-MRVPVSSYSA-N 1 0 211.334 2.100 10 0 BEAERO Cc1ccccc1C(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019424593 179249100 /nfs/dbraw/zinc/24/91/00/179249100.db2.gz AMEFWKNTKFXKGU-CYBMUJFWSA-N 1 0 246.354 2.257 10 0 BEAERO CCOC1(C[NH2+]C[C@@H](O)C(C)(C)C)CCCC1 ZINC000380112707 365889869 /nfs/dbraw/zinc/88/98/69/365889869.db2.gz LAKTXNSDRAUQPF-GFCCVEGCSA-N 1 0 243.391 2.332 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccccc1OC(F)F ZINC000036779205 347573162 /nfs/dbraw/zinc/57/31/62/347573162.db2.gz DGXAOTIJWUKTOL-SCZZXKLOSA-N 1 0 231.242 2.059 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(OC(F)F)cc1 ZINC000036779448 347576151 /nfs/dbraw/zinc/57/61/51/347576151.db2.gz LATAZQFZWNFBLV-VHSXEESVSA-N 1 0 231.242 2.059 10 0 BEAERO Cc1ccccc1CC[C@@H]1COC[C@@H](C)[NH2+]1 ZINC000071521366 179266744 /nfs/dbraw/zinc/26/67/44/179266744.db2.gz IXPXNBFHSMTLQG-TZMCWYRMSA-N 1 0 219.328 2.305 10 0 BEAERO Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000050682860 179268472 /nfs/dbraw/zinc/26/84/72/179268472.db2.gz KZGNRIHCNHYYSW-KBPBESRZSA-N 1 0 219.328 2.340 10 0 BEAERO Cc1ccccc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000295109875 179274608 /nfs/dbraw/zinc/27/46/08/179274608.db2.gz VZFMXYCIMMYVEK-JSGCOSHPSA-N 1 0 219.328 2.340 10 0 BEAERO Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000048265961 179279583 /nfs/dbraw/zinc/27/95/83/179279583.db2.gz KSYZTDQFWIHRIZ-TZMCWYRMSA-N 1 0 246.354 2.142 10 0 BEAERO Cc1ccccc1N1CC[NH2+]C[C@H](C)C1 ZINC000049661780 179295826 /nfs/dbraw/zinc/29/58/26/179295826.db2.gz XBWXGFSULQCABL-NSHDSACASA-N 1 0 204.317 2.041 10 0 BEAERO Cc1ccccc1N(C)C[C@@H]1CCC[NH2+]1 ZINC000049986722 179295042 /nfs/dbraw/zinc/29/50/42/179295042.db2.gz DGNYSGAJGHGGPL-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccccc1N1CC[NH2+]C[C@@H](C)C1 ZINC000049661782 179295565 /nfs/dbraw/zinc/29/55/65/179295565.db2.gz XBWXGFSULQCABL-LLVKDONJSA-N 1 0 204.317 2.041 10 0 BEAERO Cc1ccccc1NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019435339 179303055 /nfs/dbraw/zinc/30/30/55/179303055.db2.gz PPLMSTITAAIYEB-RYUDHWBXSA-N 1 0 232.327 2.322 10 0 BEAERO Cc1ccccc1NC(=O)C[NH2+]C1CCC1 ZINC000052210473 179298413 /nfs/dbraw/zinc/29/84/13/179298413.db2.gz OWECFCXJFQYAEG-UHFFFAOYSA-N 1 0 218.300 2.076 10 0 BEAERO Cc1ccccc1NC(=O)C[NH2+][C@H](C)C1CC1 ZINC000035142220 179298737 /nfs/dbraw/zinc/29/87/37/179298737.db2.gz DQKCDYYNHFUKIX-LLVKDONJSA-N 1 0 232.327 2.322 10 0 BEAERO Cc1ccccc1OCC[NH2+]C[C@H]1CCCO1 ZINC000006238668 179311617 /nfs/dbraw/zinc/31/16/17/179311617.db2.gz BYLUFMRRFWAKIE-CYBMUJFWSA-N 1 0 235.327 2.142 10 0 BEAERO Cc1ccccc1OCC[C@H](C[NH3+])N1CCCC1 ZINC000019664418 179312070 /nfs/dbraw/zinc/31/20/70/179312070.db2.gz HESMQKDZEOAPEE-CQSZACIVSA-N 1 0 248.370 2.187 10 0 BEAERO Cc1csc(C[NH2+]C[C@H]2CCCCN2C)n1 ZINC000054243372 1172097477 /nfs/dbraw/zinc/09/74/77/1172097477.db2.gz OUKJREHJVUOVCO-LLVKDONJSA-N 1 0 239.388 2.025 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])C1CCOCC1 ZINC000068957028 179324166 /nfs/dbraw/zinc/32/41/66/179324166.db2.gz NIBSHXMVCKHGRU-ZDUSSCGKSA-N 1 0 205.301 2.421 10 0 BEAERO C[C@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000036926004 347964519 /nfs/dbraw/zinc/96/45/19/347964519.db2.gz SMWDEIPUWDOPQP-LURJTMIESA-N 1 0 213.664 2.131 10 0 BEAERO [NH3+]CCCCCCCCNC(=O)c1ccco1 ZINC000196681434 347984353 /nfs/dbraw/zinc/98/43/53/347984353.db2.gz KXYWGVOLUCMBAO-UHFFFAOYSA-N 1 0 238.331 2.309 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2ccnc3ccccc32)C1 ZINC000616613648 349978890 /nfs/dbraw/zinc/97/88/90/349978890.db2.gz OUJZGSMVLFJHPJ-LBPRGKRZSA-N 1 0 242.322 2.016 10 0 BEAERO CC[C@H]([NH3+])[C@H](C)N(C)Cc1ccccc1 ZINC000037116223 348021015 /nfs/dbraw/zinc/02/10/15/348021015.db2.gz ASHOEEGDBJWQIN-AAEUAGOBSA-N 1 0 206.333 2.244 10 0 BEAERO [NH3+][C@H]1CCSc2c(F)cc(F)cc21 ZINC000036962290 347982491 /nfs/dbraw/zinc/98/24/91/347982491.db2.gz YKFBPDZYNDQJAG-QMMMGPOBSA-N 1 0 201.241 2.460 10 0 BEAERO CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616570638 348080010 /nfs/dbraw/zinc/08/00/10/348080010.db2.gz NUHSYONURXERAM-KGLIPLIRSA-N 1 0 246.354 2.130 10 0 BEAERO CCCC(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616570601 348066346 /nfs/dbraw/zinc/06/63/46/348066346.db2.gz NQOMFLFZGIEKGL-NEPJUHHUSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)C[C@H]1CCN(C(=O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000616570593 348069527 /nfs/dbraw/zinc/06/95/27/348069527.db2.gz NNYGKBWMTIZRCW-NEPJUHHUSA-N 1 0 240.391 2.254 10 0 BEAERO C[NH2+][C@H](c1ccccc1)[C@@H]1CCC[C@H]1O ZINC000308696791 348075062 /nfs/dbraw/zinc/07/50/62/348075062.db2.gz MADZUUMZBFVKIY-JHJVBQTASA-N 1 0 205.301 2.108 10 0 BEAERO CCCC(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616570841 348075115 /nfs/dbraw/zinc/07/51/15/348075115.db2.gz CVUBRCBIWDTADW-JTQLQIEISA-N 1 0 220.316 2.123 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CCN1CCO[C@H](C)C1 ZINC000054015961 179343343 /nfs/dbraw/zinc/34/33/43/179343343.db2.gz XNOANVPANAZRBG-UKRRQHHQSA-N 1 0 248.370 2.106 10 0 BEAERO Cc1cccn(CC[NH2+][C@H]2CCCC[C@@H]2C)c1=O ZINC000062986564 179352817 /nfs/dbraw/zinc/35/28/17/179352817.db2.gz LGVGVTLUDGXRNG-JSGCOSHPSA-N 1 0 248.370 2.325 10 0 BEAERO CCCN(CC)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 ZINC000669381856 537998262 /nfs/dbraw/zinc/99/82/62/537998262.db2.gz YBACHEUUIPNXPD-AGIUHOORSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CSC[C@H]1C ZINC000304555651 187388400 /nfs/dbraw/zinc/38/84/00/187388400.db2.gz VCTTVTUUBPDLPU-JHJVBQTASA-N 1 0 244.448 2.304 10 0 BEAERO CCC[C@@H]1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245094 538000244 /nfs/dbraw/zinc/00/02/44/538000244.db2.gz FCJGQMSBSSCIIV-NQBHXWOUSA-N 1 0 209.333 2.381 10 0 BEAERO Cc1cccnc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000180473609 179375235 /nfs/dbraw/zinc/37/52/35/179375235.db2.gz VFKYOVIXFKKAAL-NSHDSACASA-N 1 0 222.357 2.327 10 0 BEAERO Cc1cccnc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246590257 179376581 /nfs/dbraw/zinc/37/65/81/179376581.db2.gz UZRBUSNCIVFJHW-KGLIPLIRSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1cccnc1OCC[C@@H]1CCCC[NH2+]1 ZINC000051871377 179395427 /nfs/dbraw/zinc/39/54/27/179395427.db2.gz MLYRABMBOKMCRX-LBPRGKRZSA-N 1 0 220.316 2.301 10 0 BEAERO Cc1ccn(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC000052884407 179399965 /nfs/dbraw/zinc/39/99/65/179399965.db2.gz GWHBTWBWKMKSNF-JTQLQIEISA-N 1 0 201.273 2.200 10 0 BEAERO C[C@H]1CSCC[N@@H+]1CC[C@H]1CCCC1=O ZINC000251576118 362888316 /nfs/dbraw/zinc/88/83/16/362888316.db2.gz CFCUOACYYDFGPT-WDEREUQCSA-N 1 0 227.373 2.183 10 0 BEAERO C[C@@H]1C[C@]2(C[C@H](C)O1)[NH2+][C@@H](C)CCS2 ZINC000251781929 362917371 /nfs/dbraw/zinc/91/73/71/362917371.db2.gz WFCSHSXCBCJPII-UKKRHICBSA-N 1 0 215.362 2.385 10 0 BEAERO CC(C)(C)OC(=O)n1cc2c(c1)[C@@H]([NH3+])CC2 ZINC000669382492 538004291 /nfs/dbraw/zinc/00/42/91/538004291.db2.gz LTQFBEGNKDSUGU-JTQLQIEISA-N 1 0 222.288 2.217 10 0 BEAERO CC(C)CC1(CNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000121149810 348466882 /nfs/dbraw/zinc/46/68/82/348466882.db2.gz FIGGAKOFXRWCGI-ZDUSSCGKSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccsc1[C@@H]([NH2+]C1CCCC1)C(N)=O ZINC000041673600 179554066 /nfs/dbraw/zinc/55/40/66/179554066.db2.gz VMHVHDHVWYBLPO-SNVBAGLBSA-N 1 0 238.356 2.115 10 0 BEAERO C[C@@H]1C[NH2+]C[C@]12C[C@@H](C(C)(C)C)CC[C@@H]2O ZINC000725246540 538007367 /nfs/dbraw/zinc/00/73/67/538007367.db2.gz YABBGIMGZXHGMY-OWTLIXCDSA-N 1 0 225.376 2.419 10 0 BEAERO Cc1ccc2c(c1Cl)NC[C@]21C[C@@H]1[NH3+] ZINC000725246898 538008971 /nfs/dbraw/zinc/00/89/71/538008971.db2.gz ADUCDHONSHYVOH-GZMMTYOYSA-N 1 0 208.692 2.043 10 0 BEAERO CCCC1(C(=O)N[C@@H](C)C2CC2)CC[NH2+]CC1 ZINC000062848193 168592041 /nfs/dbraw/zinc/59/20/41/168592041.db2.gz NOFVEIKNEBYZMX-NSHDSACASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CS[C@]2(CCN(Cc3ccccc3)C2)[NH2+]1 ZINC000159142795 348626002 /nfs/dbraw/zinc/62/60/02/348626002.db2.gz LJQODBBJMSUZCS-JSGCOSHPSA-N 1 0 248.395 2.314 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000069847588 490187548 /nfs/dbraw/zinc/18/75/48/490187548.db2.gz GYRPQESCJXABCY-RWMBFGLXSA-N 1 0 227.348 2.103 10 0 BEAERO [NH3+][C@H]1C[C@@]12CNc1cc(Cl)cc(Cl)c12 ZINC000725247076 538010669 /nfs/dbraw/zinc/01/06/69/538010669.db2.gz GQXAMYOAPLVECT-WCBMZHEXSA-N 1 0 229.110 2.388 10 0 BEAERO Cc1cnc(NC2CCC([NH3+])CC2)nc1Cl ZINC000095069314 179630735 /nfs/dbraw/zinc/63/07/35/179630735.db2.gz DMNXNTZTKVPDGT-UHFFFAOYSA-N 1 0 240.738 2.120 10 0 BEAERO Cc1cnc([C@@H](C)NCC[NH2+]C(C)C)s1 ZINC000126249779 179648861 /nfs/dbraw/zinc/64/88/61/179648861.db2.gz NNHSCHRLXFGCKJ-SNVBAGLBSA-N 1 0 227.377 2.100 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000308852027 348857898 /nfs/dbraw/zinc/85/78/98/348857898.db2.gz OPRHNFZOEIDFDI-LDYMZIIASA-N 1 0 201.273 2.061 10 0 BEAERO C[C@H]1CCCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000070409704 350001655 /nfs/dbraw/zinc/00/16/55/350001655.db2.gz QVKLDBQHDFCOIM-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000054071551 348874236 /nfs/dbraw/zinc/87/42/36/348874236.db2.gz UQUMGBBQKOFZLM-MRVPVSSYSA-N 1 0 249.339 2.151 10 0 BEAERO Cc1cnccc1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000295149682 179704565 /nfs/dbraw/zinc/70/45/65/179704565.db2.gz JJOUIAWENGLIKT-OAHLLOKOSA-N 1 0 249.402 2.456 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000070409701 350001512 /nfs/dbraw/zinc/00/15/12/350001512.db2.gz QVKLDBQHDFCOIM-OLZOCXBDSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@H]1CSCC[N@@H+]1[C@H]1CCCCCC1=O ZINC000251833348 362932704 /nfs/dbraw/zinc/93/27/04/362932704.db2.gz PTDABVQXBKVNPG-QWRGUYRKSA-N 1 0 227.373 2.326 10 0 BEAERO CCCCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000054307923 348974135 /nfs/dbraw/zinc/97/41/35/348974135.db2.gz YXMIIKYLSAAHKN-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO CC1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054290538 348962194 /nfs/dbraw/zinc/96/21/94/348962194.db2.gz LYPDXDHALFBSQK-CPCZMJQVSA-N 1 0 238.375 2.071 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCC1CCCC1 ZINC000054291026 348962894 /nfs/dbraw/zinc/96/28/94/348962894.db2.gz GMMFIRWJUXSQDW-ZDUSSCGKSA-N 1 0 238.375 2.073 10 0 BEAERO CC(C)[C@@](O)(c1ccccc1)c1cc[n+](C)cc1 ZINC000004141611 187410792 /nfs/dbraw/zinc/41/07/92/187410792.db2.gz BKTDBIQSWPDKGO-MRXNPFEDSA-N 1 0 242.342 2.403 10 0 BEAERO CC(C)(C)c1[nH]c2ncccc2c1CC[NH3+] ZINC000198955436 349052248 /nfs/dbraw/zinc/05/22/48/349052248.db2.gz XIHLHYOLWIOARE-UHFFFAOYSA-N 1 0 217.316 2.362 10 0 BEAERO CC(C)C[C@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000037264873 187423634 /nfs/dbraw/zinc/42/36/34/187423634.db2.gz UUYFTAJIYNIXMM-NSHDSACASA-N 1 0 234.343 2.310 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000308881625 349017583 /nfs/dbraw/zinc/01/75/83/349017583.db2.gz QNCJLYODXVEFJF-KOLCDFICSA-N 1 0 211.284 2.028 10 0 BEAERO C/C=C/C(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616573365 349069691 /nfs/dbraw/zinc/06/96/91/349069691.db2.gz XVFZALUYMOBJHZ-PWFBRDGFSA-N 1 0 236.359 2.073 10 0 BEAERO CCCC(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616573763 349073087 /nfs/dbraw/zinc/07/30/87/349073087.db2.gz SXJYVLIZRGFESX-SNVBAGLBSA-N 1 0 220.316 2.123 10 0 BEAERO C/C=C\C(=O)Nc1ccc(C)c(C[NH3+])c1C ZINC000616574111 349076348 /nfs/dbraw/zinc/07/63/48/349076348.db2.gz XGZXQMWBILITFW-PLNGDYQASA-N 1 0 218.300 2.277 10 0 BEAERO [NH3+][C@@H]1[C@H]2Cc3ccc(-c4ccncc4)cc3[C@@H]12 ZINC000616575392 349095424 /nfs/dbraw/zinc/09/54/24/349095424.db2.gz AERLCGJILYYLAW-RRFJBIMHSA-N 1 0 222.291 2.345 10 0 BEAERO Cc1c(C[NH3+])cccc1OC(F)(F)F ZINC000616576710 349102843 /nfs/dbraw/zinc/10/28/43/349102843.db2.gz YMANWHBMWHZOAR-UHFFFAOYSA-N 1 0 205.179 2.352 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000616577058 349104776 /nfs/dbraw/zinc/10/47/76/349104776.db2.gz HPORROZHUSQXEC-UTLUCORTSA-N 1 0 213.321 2.092 10 0 BEAERO CC[C@]1(NC(=O)OC(C)(C)C)CCC[NH2+]C1 ZINC000220524479 490226066 /nfs/dbraw/zinc/22/60/66/490226066.db2.gz WEEAKLWNDDAKIM-LBPRGKRZSA-N 1 0 228.336 2.043 10 0 BEAERO CC(C)=CC(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616572004 349064608 /nfs/dbraw/zinc/06/46/08/349064608.db2.gz JKUHEXPARMHOOQ-LLVKDONJSA-N 1 0 232.327 2.289 10 0 BEAERO CC[C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]1[NH3+] ZINC000616572118 349065353 /nfs/dbraw/zinc/06/53/53/349065353.db2.gz UUOMWAKNKDGVFL-UTUOFQBUSA-N 1 0 240.391 2.254 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nnc(C(C)(C)C)[nH]1 ZINC000616572489 349066631 /nfs/dbraw/zinc/06/66/31/349066631.db2.gz WFHVNYOCBMJLJC-YUMQZZPRSA-N 1 0 210.325 2.148 10 0 BEAERO Cc1cc(C(F)F)nc([C@@H]([NH3+])C2CC2)n1 ZINC000616577692 349118188 /nfs/dbraw/zinc/11/81/88/349118188.db2.gz KROBRJYUPVSZSO-QMMMGPOBSA-N 1 0 213.231 2.132 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616578433 349124488 /nfs/dbraw/zinc/12/44/88/349124488.db2.gz OIBAFDPABFARDA-CMPLNLGQSA-N 1 0 208.349 2.001 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000251577280 349188045 /nfs/dbraw/zinc/18/80/45/349188045.db2.gz JHRRTNZZVDHOOE-JHJVBQTASA-N 1 0 238.375 2.166 10 0 BEAERO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000251587199 349188390 /nfs/dbraw/zinc/18/83/90/349188390.db2.gz OAPAHUVOGYRYCU-QJPTWQEYSA-N 1 0 229.364 2.083 10 0 BEAERO Cc1csc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000051871284 179790533 /nfs/dbraw/zinc/79/05/33/179790533.db2.gz JAADZEKAABPOTA-SNVBAGLBSA-N 1 0 226.345 2.363 10 0 BEAERO COc1cc([C@H]2CCC[NH2+]C2)ccc1F ZINC000059440433 349222023 /nfs/dbraw/zinc/22/20/23/349222023.db2.gz VMRATJGZMVJDFO-JTQLQIEISA-N 1 0 209.264 2.301 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000251978913 349194500 /nfs/dbraw/zinc/19/45/00/349194500.db2.gz YOXHIUJIPIYHAR-UPJWGTAASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252099244 349195956 /nfs/dbraw/zinc/19/59/56/349195956.db2.gz FYIAMSFWFSFEIF-UPJWGTAASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)[C@H](C)C1 ZINC000252165248 349196988 /nfs/dbraw/zinc/19/69/88/349196988.db2.gz QKDOUKUMDPSIQP-NRWUCQMLSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@H](C)c1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253377 538037360 /nfs/dbraw/zinc/03/73/60/538037360.db2.gz JRVUMDZGUVFQLS-DTWKUNHWSA-N 1 0 207.321 2.270 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CC[NH3+])C1 ZINC000211079369 349256811 /nfs/dbraw/zinc/25/68/11/349256811.db2.gz OSSNTYYCOGURPB-VHSXEESVSA-N 1 0 228.336 2.029 10 0 BEAERO F[C@@H]1COC[C@H]1[NH2+]C1CCCCCC1 ZINC000616581133 349262524 /nfs/dbraw/zinc/26/25/24/349262524.db2.gz GXFKONFEEBXROH-GHMZBOCLSA-N 1 0 201.285 2.036 10 0 BEAERO [NH3+]Cc1cccc(Cl)c1OC(F)F ZINC000159162444 349302116 /nfs/dbraw/zinc/30/21/16/349302116.db2.gz QDBTVPWCWHRJIM-UHFFFAOYSA-N 1 0 207.607 2.400 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccco1)CC2 ZINC000160841821 349335413 /nfs/dbraw/zinc/33/54/13/349335413.db2.gz XKPRMTPTRLGDCI-TZMCWYRMSA-N 1 0 235.327 2.407 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)c1ccnn1C1CCCC1 ZINC000725253530 538037911 /nfs/dbraw/zinc/03/79/11/538037911.db2.gz QHQINSORNKMJSR-CYBMUJFWSA-N 1 0 237.347 2.030 10 0 BEAERO CCCn1c2cc(N)ccc2c2c1C[NH2+]CC2 ZINC000725254006 538041837 /nfs/dbraw/zinc/04/18/37/538041837.db2.gz ZGAZHUJLWZNTQP-UHFFFAOYSA-N 1 0 229.327 2.279 10 0 BEAERO CC(C)(C)[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616585022 349365251 /nfs/dbraw/zinc/36/52/51/349365251.db2.gz PGPOPNYJJNHOIE-CYBMUJFWSA-N 1 0 233.359 2.292 10 0 BEAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CCO ZINC000616586014 349375182 /nfs/dbraw/zinc/37/51/82/349375182.db2.gz DPAZBLUMINNSPJ-AWEZNQCLSA-N 1 0 219.328 2.377 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CCO1 ZINC000251276485 538044773 /nfs/dbraw/zinc/04/47/73/538044773.db2.gz CSKCYMUVTWQXBC-CRWXNKLISA-N 1 0 241.375 2.083 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CCO1 ZINC000251276490 538045103 /nfs/dbraw/zinc/04/51/03/538045103.db2.gz CSKCYMUVTWQXBC-DGAVXFQQSA-N 1 0 241.375 2.083 10 0 BEAERO c1ccc([C@H]2CCCCN2C2C[NH2+]C2)cc1 ZINC000397003734 350034535 /nfs/dbraw/zinc/03/45/35/350034535.db2.gz PXSAUIJISLCQKV-CQSZACIVSA-N 1 0 216.328 2.185 10 0 BEAERO Cc1nc(CNC2=[NH+]C[C@H](C)S2)cs1 ZINC000049534301 179967833 /nfs/dbraw/zinc/96/78/33/179967833.db2.gz MXVZHVMDGGNNTM-LURJTMIESA-N 1 0 227.358 2.032 10 0 BEAERO COC(=O)c1occc1C[NH2+][C@H](C)C(C)C ZINC000035222861 358455627 /nfs/dbraw/zinc/45/56/27/358455627.db2.gz ZKJIXJVAFDUUIH-SECBINFHSA-N 1 0 225.288 2.200 10 0 BEAERO Cc1nc(C[C@H]([NH3+])CC2CCOCC2)cs1 ZINC000055294857 179983673 /nfs/dbraw/zinc/98/36/73/179983673.db2.gz LFHSUBPCQSJRRP-LLVKDONJSA-N 1 0 240.372 2.138 10 0 BEAERO COC(=O)c1cccnc1C[N@H+](C)[C@H](C)C1CC1 ZINC000302286807 350069455 /nfs/dbraw/zinc/06/94/55/350069455.db2.gz FUUMHUNUQQMSAG-SNVBAGLBSA-N 1 0 248.326 2.099 10 0 BEAERO Cc1[nH+]c(N2CCCC2)nc(N)c1C(C)C ZINC000061687345 180000602 /nfs/dbraw/zinc/00/06/02/180000602.db2.gz OPWPSYNSUISCGN-UHFFFAOYSA-N 1 0 220.320 2.091 10 0 BEAERO Cc1nc(N2CCCCCC2)ncc1[C@@H](C)[NH3+] ZINC000054962548 180001207 /nfs/dbraw/zinc/00/12/07/180001207.db2.gz IABDQCVEYOZTFA-SNVBAGLBSA-N 1 0 234.347 2.185 10 0 BEAERO Cc1nc(N)sc1SCC[NH+]1CCCC1 ZINC000020254128 180001387 /nfs/dbraw/zinc/00/13/87/180001387.db2.gz ITPFQLFPRTZIDE-UHFFFAOYSA-N 1 0 243.401 2.222 10 0 BEAERO Cc1nc(N2CCSCC2)sc1[C@@H](C)[NH3+] ZINC000054894762 180002577 /nfs/dbraw/zinc/00/25/77/180002577.db2.gz CEAGGHOFTZOVGK-SSDOTTSWSA-N 1 0 243.401 2.024 10 0 BEAERO [NH3+]C1(c2ncccn2)C2CC3CC(C2)CC1C3 ZINC000725255261 538050780 /nfs/dbraw/zinc/05/07/80/538050780.db2.gz XQDXTVPAXQFGDD-UHFFFAOYSA-N 1 0 229.327 2.087 10 0 BEAERO Cc1nc([C@@H]2CCCO2)sc1[C@@H](C)[NH3+] ZINC000082420715 180044811 /nfs/dbraw/zinc/04/48/11/180044811.db2.gz NEMSDFLEDKFITB-SVRRBLITSA-N 1 0 212.318 2.323 10 0 BEAERO Cc1[nH]c([C@H](C)[NH3+])nc1-c1ccccc1 ZINC000036872262 180048087 /nfs/dbraw/zinc/04/80/87/180048087.db2.gz QVKFQKPUNLPBMO-QMMMGPOBSA-N 1 0 201.273 2.405 10 0 BEAERO Cc1nc([C@H]([NH3+])Cc2cccnc2)cs1 ZINC000082366342 180053393 /nfs/dbraw/zinc/05/33/93/180053393.db2.gz ZHVRWXKFQWNSAN-SNVBAGLBSA-N 1 0 219.313 2.089 10 0 BEAERO C[C@H](CC[NH2+]Cc1ccc(F)cc1)[S@@](C)=O ZINC000132575431 191034031 /nfs/dbraw/zinc/03/40/31/191034031.db2.gz WPPUYROIJFTKKP-HWPZZCPQSA-N 1 0 243.347 2.072 10 0 BEAERO C[C@H](CC[NH2+]Cc1cccc(F)c1)[S@](C)=O ZINC000132595190 191034241 /nfs/dbraw/zinc/03/42/41/191034241.db2.gz BUOQMFWGIQCNEF-QLJPJBMISA-N 1 0 243.347 2.072 10 0 BEAERO Cc1ccsc1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000132578993 191034490 /nfs/dbraw/zinc/03/44/90/191034490.db2.gz XNNLMQNFMVRQRK-MEBBXXQBSA-N 1 0 245.413 2.303 10 0 BEAERO C[C@H](CC[NH2+]C1CCCCC1)[S@](C)=O ZINC000132601827 191034596 /nfs/dbraw/zinc/03/45/96/191034596.db2.gz NDZIMPXSHXDJQR-QMTHXVAHSA-N 1 0 217.378 2.066 10 0 BEAERO Cc1nc2cc(C[C@H](C)[NH3+])ccc2s1 ZINC000082594007 180080097 /nfs/dbraw/zinc/08/00/97/180080097.db2.gz KHUXJMXQBJVOME-ZETCQYMHSA-N 1 0 206.314 2.494 10 0 BEAERO C[C@H](C[NH3+])[C@H](O)c1ccccc1Br ZINC000083021566 538062246 /nfs/dbraw/zinc/06/22/46/538062246.db2.gz RHTSXROVQGNOCY-XCBNKYQSSA-N 1 0 244.132 2.077 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000133060147 191036347 /nfs/dbraw/zinc/03/63/47/191036347.db2.gz IJILVFAXLKUUSO-NWDGAFQWSA-N 1 0 211.349 2.317 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCSC)C12CCC2 ZINC000309183095 350158418 /nfs/dbraw/zinc/15/84/18/350158418.db2.gz ODDWEQXIXNQVLL-GMTAPVOTSA-N 1 0 229.389 2.143 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000124457624 180110470 /nfs/dbraw/zinc/11/04/70/180110470.db2.gz CESHWXKIGUVWNQ-STQMWFEESA-N 1 0 246.358 2.367 10 0 BEAERO Cc1nc2cccc(Cl)n2c1[C@H](C)[NH3+] ZINC000074375103 180099235 /nfs/dbraw/zinc/09/92/35/180099235.db2.gz SDIAKFFUTYFGLY-LURJTMIESA-N 1 0 209.680 2.316 10 0 BEAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC000125825009 538058774 /nfs/dbraw/zinc/05/87/74/538058774.db2.gz OAZGVNJEKHHNNM-YNEHKIRRSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1nc2cccc(CCC[NH3+])c2s1 ZINC000082378438 180099805 /nfs/dbraw/zinc/09/98/05/180099805.db2.gz GPOSGBUEQYULKL-UHFFFAOYSA-N 1 0 206.314 2.496 10 0 BEAERO COCC[C@@H](C)[NH2+]CCCCSC ZINC000133711329 191043294 /nfs/dbraw/zinc/04/32/94/191043294.db2.gz WSWJFGNQMQHVGQ-SNVBAGLBSA-N 1 0 205.367 2.144 10 0 BEAERO Cc1nc2ccccc2n1[C@H](C)CC[NH3+] ZINC000041042674 180103349 /nfs/dbraw/zinc/10/33/49/180103349.db2.gz IDFNXEPEJNCTLG-SECBINFHSA-N 1 0 203.289 2.255 10 0 BEAERO CC(C)OCCCC[NH2+]C[C@H](O)C(C)(C)C ZINC000304254721 350151225 /nfs/dbraw/zinc/15/12/25/350151225.db2.gz RUEYMZVGRRLFKG-LBPRGKRZSA-N 1 0 231.380 2.188 10 0 BEAERO Cc1nc2sccn2c1C[NH2+]CC(C)C ZINC000037186719 180116800 /nfs/dbraw/zinc/11/68/00/180116800.db2.gz OZNNMIQOEFGBAM-UHFFFAOYSA-N 1 0 223.345 2.450 10 0 BEAERO C[C@@H](C[NH3+])CNc1ccc(C(F)(F)F)cn1 ZINC000083387539 350192839 /nfs/dbraw/zinc/19/28/39/350192839.db2.gz KESHTDRLJUIHLV-ZETCQYMHSA-N 1 0 233.237 2.107 10 0 BEAERO Cc1ncc(COC[C@@H]2CCCC[NH2+]2)s1 ZINC000062336958 180160068 /nfs/dbraw/zinc/16/00/68/180160068.db2.gz QALZFKWLSYKXBO-JTQLQIEISA-N 1 0 226.345 2.110 10 0 BEAERO C[C@@H](C[NH3+])CNc1cccc(C(F)(F)F)n1 ZINC000083387513 350191694 /nfs/dbraw/zinc/19/16/94/350191694.db2.gz BYWGCYDNACCJPE-ZETCQYMHSA-N 1 0 233.237 2.107 10 0 BEAERO Cc1nccc(C[NH2+][C@H](C)C2(C)CC2)n1 ZINC000038037580 180190573 /nfs/dbraw/zinc/19/05/73/180190573.db2.gz LQPGXZGWPJUOMW-SECBINFHSA-N 1 0 205.305 2.063 10 0 BEAERO Cc1nccc(C[NH2+]C[C@H]2CCCSC2)n1 ZINC000304404999 180188562 /nfs/dbraw/zinc/18/85/62/180188562.db2.gz HTBJYUGETDOTFJ-LLVKDONJSA-N 1 0 237.372 2.018 10 0 BEAERO Cc1nc(C[NH3+])cc(-c2cccc(F)c2)n1 ZINC000074111166 350238758 /nfs/dbraw/zinc/23/87/58/350238758.db2.gz WBVDJGXBMUYEHC-UHFFFAOYSA-N 1 0 217.247 2.050 10 0 BEAERO COc1cccc([C@@]2(C[NH3+])C[C@@H](F)C2)c1 ZINC000725259018 538078596 /nfs/dbraw/zinc/07/85/96/538078596.db2.gz NPAMBLSIFPAJPY-KLPPZKSPSA-N 1 0 209.264 2.024 10 0 BEAERO Cc1nccn1CC[NH2+]C1(C)CCCC1 ZINC000049330362 180260601 /nfs/dbraw/zinc/26/06/01/180260601.db2.gz IBSOMSOZYZDNPD-UHFFFAOYSA-N 1 0 207.321 2.114 10 0 BEAERO Cc1nccn1CC[NH2+]CCc1cccc(F)c1 ZINC000049330145 180260628 /nfs/dbraw/zinc/26/06/28/180260628.db2.gz VXYKZCCDTCXCJQ-UHFFFAOYSA-N 1 0 247.317 2.163 10 0 BEAERO CCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000125647592 490439479 /nfs/dbraw/zinc/43/94/79/490439479.db2.gz YHTPAOMQZJXNCD-UHFFFAOYSA-N 1 0 218.344 2.174 10 0 BEAERO CCCC[C@H](CC)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000336642736 350276304 /nfs/dbraw/zinc/27/63/04/350276304.db2.gz ABAINXZLJVSANI-GRYCIOLGSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1nccn1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042947334 180271248 /nfs/dbraw/zinc/27/12/48/180271248.db2.gz JRIPKQKPRWIJDL-LBPRGKRZSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1nccn1[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042902731 180271457 /nfs/dbraw/zinc/27/14/57/180271457.db2.gz CSWBAQOTXUKFIB-GXFFZTMASA-N 1 0 215.300 2.128 10 0 BEAERO Cc1nccn1[C@H](c1cccs1)[C@H](C)[NH3+] ZINC000043107029 180271727 /nfs/dbraw/zinc/27/17/27/180271727.db2.gz UNPLLYGCDHEOGU-KWQFWETISA-N 1 0 221.329 2.190 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000324372606 350295633 /nfs/dbraw/zinc/29/56/33/350295633.db2.gz UJHIBZVRVSDKTL-ZJUUUORDSA-N 1 0 235.318 2.418 10 0 BEAERO Cc1ncn([C@H](C[NH3+])c2ccsc2)c1C ZINC000051925754 180289684 /nfs/dbraw/zinc/28/96/84/180289684.db2.gz RHPUDDKWOGQJED-LLVKDONJSA-N 1 0 221.329 2.110 10 0 BEAERO Cc1[nH+]cn2ccc(Br)cc12 ZINC000107212112 180289875 /nfs/dbraw/zinc/28/98/75/180289875.db2.gz FUORIQAUYPKDNK-UHFFFAOYSA-N 1 0 211.062 2.405 10 0 BEAERO Cc1ncnc(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000054854988 180291543 /nfs/dbraw/zinc/29/15/43/180291543.db2.gz ZGCQDZWARYIPMC-VIFPVBQESA-N 1 0 207.321 2.195 10 0 BEAERO CC[C@]([NH3+])(CO)c1ccc(Br)cc1 ZINC000038124482 350307338 /nfs/dbraw/zinc/30/73/38/350307338.db2.gz WWWDROQXYZNWQV-JTQLQIEISA-N 1 0 244.132 2.005 10 0 BEAERO [NH3+][C@@H](Cc1ccsc1)c1cccnc1 ZINC000038127732 350307878 /nfs/dbraw/zinc/30/78/78/350307878.db2.gz QCAGFUGINABQPQ-NSHDSACASA-N 1 0 204.298 2.386 10 0 BEAERO Cc1nccnc1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000219195339 180280499 /nfs/dbraw/zinc/28/04/99/180280499.db2.gz BTRBHMBDGVLRJG-LDGBHUKOSA-N 1 0 205.305 2.234 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(O)c(F)c1 ZINC000324278183 350289927 /nfs/dbraw/zinc/28/99/27/350289927.db2.gz NOLOLCYBXJONRP-LBPRGKRZSA-N 1 0 241.306 2.028 10 0 BEAERO Cc1ncn(-c2ncccc2C[NH2+]C2CC2)c1C ZINC000051928428 180285016 /nfs/dbraw/zinc/28/50/16/180285016.db2.gz HHTUWMRNNFEEHJ-UHFFFAOYSA-N 1 0 242.326 2.136 10 0 BEAERO CC[C@H]1CCC[N@@H+]1Cc1csc(N)n1 ZINC000037913927 350291151 /nfs/dbraw/zinc/29/11/51/350291151.db2.gz UWHGYTBGFHWCOB-VIFPVBQESA-N 1 0 211.334 2.100 10 0 BEAERO Cc1ncn(Cc2cc(C[NH3+])ccc2F)c1C ZINC000051926131 180286662 /nfs/dbraw/zinc/28/66/62/180286662.db2.gz YWIITDZODABNPP-UHFFFAOYSA-N 1 0 233.290 2.146 10 0 BEAERO Cc1ncsc1CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000074327542 180309763 /nfs/dbraw/zinc/30/97/63/180309763.db2.gz BSYGMYOIJNVOAV-UWVGGRQHSA-N 1 0 240.372 2.103 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000040673141 180326314 /nfs/dbraw/zinc/32/63/14/180326314.db2.gz JUSQGPZGJHZGCV-GHMZBOCLSA-N 1 0 239.388 2.196 10 0 BEAERO Cc1nn(-c2ccc(CC[NH3+])cc2)c(C)c1C ZINC000082656601 180326979 /nfs/dbraw/zinc/32/69/79/180326979.db2.gz GBKZQVCBGJMGTQ-UHFFFAOYSA-N 1 0 229.327 2.299 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000134127093 180327079 /nfs/dbraw/zinc/32/70/79/180327079.db2.gz ZEMRJARRMDLFHT-XKSSXDPKSA-N 1 0 228.361 2.119 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000037738995 180327175 /nfs/dbraw/zinc/32/71/75/180327175.db2.gz LXGDSWJMMKKWPG-WPRPVWTQSA-N 1 0 226.345 2.139 10 0 BEAERO Cc1nn(C)c(C)c1CC[NH2+]C1CCCC1 ZINC000057362289 180336383 /nfs/dbraw/zinc/33/63/83/180336383.db2.gz MNKRYSVVAVNRHT-UHFFFAOYSA-N 1 0 221.348 2.112 10 0 BEAERO Cc1nn(-c2ccccc2F)c(C)c1C[NH3+] ZINC000019488983 180330236 /nfs/dbraw/zinc/33/02/36/180330236.db2.gz UJCMVVUAGGEEHI-UHFFFAOYSA-N 1 0 219.263 2.087 10 0 BEAERO CC(C)(C)C(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264262 538090785 /nfs/dbraw/zinc/09/07/85/538090785.db2.gz SQSSPBWPGKAQED-LLVKDONJSA-N 1 0 238.375 2.153 10 0 BEAERO COC(=O)C1CC[NH+]([C@@H]2CC[C@H]3CC[C@H]32)CC1 ZINC000725263960 538090839 /nfs/dbraw/zinc/09/08/39/538090839.db2.gz XSSQWZWWEJJBNO-RAIGVLPGSA-N 1 0 237.343 2.060 10 0 BEAERO Cc1nn(C)c(C)c1C[NH2+]C1(C)CCCC1 ZINC000042176675 180339561 /nfs/dbraw/zinc/33/95/61/180339561.db2.gz UVGUAXGSCMBPIQ-UHFFFAOYSA-N 1 0 221.348 2.459 10 0 BEAERO Cc1nn(C)cc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000277078979 180380496 /nfs/dbraw/zinc/38/04/96/180380496.db2.gz JNMMXTYTEGLVFL-ZETCQYMHSA-N 1 0 229.274 2.177 10 0 BEAERO CCn1cc(CC(N)=[NH2+])c(-c2ccsc2)n1 ZINC000409437153 350480438 /nfs/dbraw/zinc/48/04/38/350480438.db2.gz DWXYUKQGCAQBII-UHFFFAOYSA-N 1 0 234.328 2.110 10 0 BEAERO C[NH2+]Cc1c(-c2ccco2)n[nH]c1C1CC1 ZINC000409442185 350483260 /nfs/dbraw/zinc/48/32/60/350483260.db2.gz XILQMIMLOLNTMS-UHFFFAOYSA-N 1 0 217.272 2.267 10 0 BEAERO Cc1nn(Cc2cc(C[NH3+])c(C)o2)c(C)c1C ZINC000052577743 180391507 /nfs/dbraw/zinc/39/15/07/180391507.db2.gz AZAZJTWWFYNUFO-UHFFFAOYSA-N 1 0 233.315 2.217 10 0 BEAERO Cc1nn([C@@H](C)CC[NH3+])c(C)c1Br ZINC000020313525 180392261 /nfs/dbraw/zinc/39/22/61/180392261.db2.gz GYIRCNBIUOJUNA-LURJTMIESA-N 1 0 246.152 2.172 10 0 BEAERO Cc1nn([C@H](C)C[NH2+]C2CC2)c(C)c1Cl ZINC000052574006 180393029 /nfs/dbraw/zinc/39/30/29/180393029.db2.gz QFPXTBDHNRCHBS-SSDOTTSWSA-N 1 0 227.739 2.466 10 0 BEAERO Cc1nn([C@H](C[NH3+])c2ccc(F)cc2)c(C)c1C ZINC000042915968 180393515 /nfs/dbraw/zinc/39/35/15/180393515.db2.gz TYSRBEZQRGMIRT-CQSZACIVSA-N 1 0 247.317 2.496 10 0 BEAERO Fc1cccc(-c2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000725266058 538093999 /nfs/dbraw/zinc/09/39/99/538093999.db2.gz IENUVMLVJRBMRS-LBPRGKRZSA-N 1 0 246.289 2.009 10 0 BEAERO Cc1nn(CCC2CC[NH2+]CC2)c(C)c1C ZINC000041671533 180387438 /nfs/dbraw/zinc/38/74/38/180387438.db2.gz MCUKZELETOOLCF-UHFFFAOYSA-N 1 0 221.348 2.198 10 0 BEAERO Cc1nn(CC[NH2+]C2CCCC2)c(C)c1C ZINC000053540575 180388994 /nfs/dbraw/zinc/38/89/94/180388994.db2.gz YGEFGCDBNASVMY-UHFFFAOYSA-N 1 0 221.348 2.341 10 0 BEAERO c1cc(-c2cnnn2[C@H]2CCC[NH2+]CC2)cs1 ZINC000725266014 538094386 /nfs/dbraw/zinc/09/43/86/538094386.db2.gz GCCHHSDSCOATQH-NSHDSACASA-N 1 0 248.355 2.321 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000227928612 350519972 /nfs/dbraw/zinc/51/99/72/350519972.db2.gz CECRODOVQCKKAK-JTQLQIEISA-N 1 0 241.281 2.169 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccc(N)cc2)CC1 ZINC000616593193 350527160 /nfs/dbraw/zinc/52/71/60/350527160.db2.gz JUAHENGESXXUNU-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000616594162 350592325 /nfs/dbraw/zinc/59/23/25/350592325.db2.gz CTMSMOOGOCEJTP-MRVPVSSYSA-N 1 0 225.254 2.438 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccnn2)CC1 ZINC000616594159 350592575 /nfs/dbraw/zinc/59/25/75/350592575.db2.gz NYQZAOHZJXVGTB-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccnc(N)c2)CC1 ZINC000616594288 350593217 /nfs/dbraw/zinc/59/32/17/350593217.db2.gz DYVPMGHQNSKSTG-GFCCVEGCSA-N 1 0 249.358 2.056 10 0 BEAERO CN(C)c1nc2c(n1C1CCCCC1)CC[NH2+]C2 ZINC000725267108 538097739 /nfs/dbraw/zinc/09/77/39/538097739.db2.gz LYHFCBVMAWOKNN-UHFFFAOYSA-N 1 0 248.374 2.100 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccccc1CO ZINC000616597727 350653464 /nfs/dbraw/zinc/65/34/64/350653464.db2.gz QYVZFKWMFPOCHW-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CCC(CC)[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000725267431 538098315 /nfs/dbraw/zinc/09/83/15/538098315.db2.gz GUCCFMLDQDSJCH-CYBMUJFWSA-N 1 0 243.391 2.190 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2cccc3ccncc32)C1 ZINC000616599078 350710646 /nfs/dbraw/zinc/71/06/46/350710646.db2.gz VYVWZJWOLKSEQG-ZDUSSCGKSA-N 1 0 242.322 2.280 10 0 BEAERO C[C@@H](CO)[C@H]([NH3+])c1cccc(Br)c1 ZINC000235123700 350711694 /nfs/dbraw/zinc/71/16/94/350711694.db2.gz HOKFCBKJIMACPH-XVKPBYJWSA-N 1 0 244.132 2.077 10 0 BEAERO Cc1noc(CC[NH2+]Cc2sccc2C)n1 ZINC000105470088 180484069 /nfs/dbraw/zinc/48/40/69/180484069.db2.gz APRMTAYAVANRFN-UHFFFAOYSA-N 1 0 237.328 2.080 10 0 BEAERO COc1cccc([C@H]2COCCC[N@@H+]2C)c1 ZINC000616599694 350755347 /nfs/dbraw/zinc/75/53/47/350755347.db2.gz NPYWVOMEDBRXIL-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO CC(=O)Nc1ccc([C@H]2COCCC[N@H+]2C)cc1 ZINC000616599697 350755418 /nfs/dbraw/zinc/75/54/18/350755418.db2.gz NQOIBTCOYJQFCT-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO [NH3+]Cc1nc(-c2csc(Cl)c2)c[nH]1 ZINC000236273947 350733057 /nfs/dbraw/zinc/73/30/57/350733057.db2.gz NSLWBEIEMDSDBZ-UHFFFAOYSA-N 1 0 213.693 2.250 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](c2ccccc2CCO)C1 ZINC000616613910 350815095 /nfs/dbraw/zinc/81/50/95/350815095.db2.gz VLUXWVYGOJZNSW-AWEZNQCLSA-N 1 0 233.355 2.419 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2conn2)CC1 ZINC000616600200 350779306 /nfs/dbraw/zinc/77/93/06/350779306.db2.gz AAFCVCZXDKIXLW-SNVBAGLBSA-N 1 0 223.320 2.438 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1ccc(Br)cn1 ZINC000063025423 350780296 /nfs/dbraw/zinc/78/02/96/350780296.db2.gz LBDJJEHTJBSGSL-JTQLQIEISA-N 1 0 243.148 2.370 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616601098 350781158 /nfs/dbraw/zinc/78/11/58/350781158.db2.gz JMGXFIQGLDHZGP-LBPRGKRZSA-N 1 0 246.354 2.375 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1cccc2ccncc21 ZINC000616600961 350781263 /nfs/dbraw/zinc/78/12/63/350781263.db2.gz DSMXEEQJLBGLQW-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC[C@H](C[NH2+]CC(C)(C)O)CC(F)(F)F ZINC000402510568 350783594 /nfs/dbraw/zinc/78/35/94/350783594.db2.gz HTBXRLINQWLVDJ-QMMMGPOBSA-N 1 0 227.270 2.326 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000616613999 350822535 /nfs/dbraw/zinc/82/25/35/350822535.db2.gz ZBJDSLFRVJSZPY-AWEZNQCLSA-N 1 0 242.322 2.016 10 0 BEAERO c1ccc2c(c1)nncc2[C@@H]1CCC[NH2+]CC1 ZINC000616601898 350786943 /nfs/dbraw/zinc/78/69/43/350786943.db2.gz LQQSPJYPBPRQQT-LLVKDONJSA-N 1 0 227.311 2.487 10 0 BEAERO COc1ccc([C@H]2CCCCN(CC[NH3+])C2)cc1 ZINC000616603142 350789336 /nfs/dbraw/zinc/78/93/36/350789336.db2.gz BLWMEDRKQOAIPZ-AWEZNQCLSA-N 1 0 248.370 2.223 10 0 BEAERO c1cc2cc([C@H]3CCCC[NH2+]C3)ccc2nn1 ZINC000616603629 350789997 /nfs/dbraw/zinc/78/99/97/350789997.db2.gz XMJGUJADPFFSJF-ZDUSSCGKSA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cncnc2)CC1 ZINC000616602059 350790737 /nfs/dbraw/zinc/79/07/37/350790737.db2.gz RDMHKMJPZLTLAE-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2ccc(N)cc2)C1 ZINC000616602174 350791174 /nfs/dbraw/zinc/79/11/74/350791174.db2.gz HLNKCPWKGBWQIV-LBPRGKRZSA-N 1 0 204.317 2.468 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ccc(N)nc2)CC1 ZINC000616602542 350791824 /nfs/dbraw/zinc/79/18/24/350791824.db2.gz ZIZBAWYBBNIJRK-GFCCVEGCSA-N 1 0 233.359 2.472 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccnc(N)c2)C1 ZINC000616604287 350792487 /nfs/dbraw/zinc/79/24/87/350792487.db2.gz CMTJAMSJRYYZLS-CYBMUJFWSA-N 1 0 233.359 2.472 10 0 BEAERO OCCc1ccc([C@@H]2CCCC[NH2+]C2)cc1 ZINC000616605231 350794201 /nfs/dbraw/zinc/79/42/01/350794201.db2.gz IXQXVQXHDDMXQV-CQSZACIVSA-N 1 0 219.328 2.079 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1cccc2cnccc21 ZINC000616605062 350794208 /nfs/dbraw/zinc/79/42/08/350794208.db2.gz QXHYZEPCTLPSEI-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO OCCc1ccc([C@H]2CCCC[NH2+]C2)cc1 ZINC000616604991 350794365 /nfs/dbraw/zinc/79/43/65/350794365.db2.gz IXQXVQXHDDMXQV-AWEZNQCLSA-N 1 0 219.328 2.079 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2cccc(N)n2)C1 ZINC000616605851 350795804 /nfs/dbraw/zinc/79/58/04/350795804.db2.gz WUAUVDACAFRSKS-LLVKDONJSA-N 1 0 219.332 2.253 10 0 BEAERO Nc1n[nH]cc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616606688 350798213 /nfs/dbraw/zinc/79/82/13/350798213.db2.gz IDYDHCLFDNEQSO-ZDUSSCGKSA-N 1 0 242.326 2.159 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1cncnc1 ZINC000616607567 350800928 /nfs/dbraw/zinc/80/09/28/350800928.db2.gz JWEZMFYSBWMWOZ-LLVKDONJSA-N 1 0 205.305 2.412 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616607931 350801851 /nfs/dbraw/zinc/80/18/51/350801851.db2.gz YNKYUMFACAOYCF-ZDUSSCGKSA-N 1 0 232.327 2.331 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616608581 350805678 /nfs/dbraw/zinc/80/56/78/350805678.db2.gz YENMGUKRYUXWPM-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO c1cc2nnccc2c(C2CC[NH2+]CC2)c1 ZINC000616609297 350805699 /nfs/dbraw/zinc/80/56/99/350805699.db2.gz PBJNKICTBZMOAW-UHFFFAOYSA-N 1 0 213.284 2.097 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccccc2CO)C1 ZINC000616610323 350808631 /nfs/dbraw/zinc/80/86/31/350808631.db2.gz HSBLESFHOQVVBA-GFCCVEGCSA-N 1 0 219.328 2.378 10 0 BEAERO [NH3+]Cc1ccc(Cl)cc1OC(F)F ZINC000128870161 350831921 /nfs/dbraw/zinc/83/19/21/350831921.db2.gz MJBVUQNUOXYRLF-UHFFFAOYSA-N 1 0 207.607 2.400 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cccnn2)C1 ZINC000616614391 350832827 /nfs/dbraw/zinc/83/28/27/350832827.db2.gz MMKRVJIMRIQEMZ-SNVBAGLBSA-N 1 0 205.305 2.064 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1cc(N)n[nH]1 ZINC000616614453 350833534 /nfs/dbraw/zinc/83/35/34/350833534.db2.gz OWVQHZOGTHWHFT-SNVBAGLBSA-N 1 0 222.336 2.148 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](OC(F)(F)F)C1 ZINC000616614628 350836255 /nfs/dbraw/zinc/83/62/55/350836255.db2.gz STTWNJZAXQNISR-SSDOTTSWSA-N 1 0 211.227 2.396 10 0 BEAERO OCCc1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000616615261 350846109 /nfs/dbraw/zinc/84/61/09/350846109.db2.gz JYZKTGVCBHUOFU-ZDUSSCGKSA-N 1 0 205.301 2.036 10 0 BEAERO [NH2+]=C(NC[C@H]1CCSC1)C1CCCC1 ZINC000228612719 350847714 /nfs/dbraw/zinc/84/77/14/350847714.db2.gz NRWHKQYGPKGVOX-SECBINFHSA-N 1 0 212.362 2.497 10 0 BEAERO CCSc1ccc(C2=[NH+]CCN2)cc1 ZINC000306703564 350852497 /nfs/dbraw/zinc/85/24/97/350852497.db2.gz IMLLTWZBSPJPNY-UHFFFAOYSA-N 1 0 206.314 2.148 10 0 BEAERO CC(C)CNC(=[NH2+])[C@@]1(C)CCCS1 ZINC000306707035 350855151 /nfs/dbraw/zinc/85/51/51/350855151.db2.gz MFMAXTRDTKPDEA-SNVBAGLBSA-N 1 0 200.351 2.495 10 0 BEAERO CNc1ccccc1[C@@H]1CCCCN1CC[NH3+] ZINC000616616670 350856749 /nfs/dbraw/zinc/85/67/49/350856749.db2.gz SFBGPLUJBGGXGF-AWEZNQCLSA-N 1 0 233.359 2.214 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cnnc3ccccc32)C1 ZINC000616617563 350869058 /nfs/dbraw/zinc/86/90/58/350869058.db2.gz UEVKIBRLNQZCJO-NSHDSACASA-N 1 0 227.311 2.439 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ccc(N)nc2)C1 ZINC000616617458 350869178 /nfs/dbraw/zinc/86/91/78/350869178.db2.gz YLZLMSPZYMFUBY-GFCCVEGCSA-N 1 0 219.332 2.082 10 0 BEAERO COC1(c2nc(C[NH3+])cs2)CCCC1 ZINC000128931404 350899954 /nfs/dbraw/zinc/89/99/54/350899954.db2.gz HSRVTPNBQRBSRF-UHFFFAOYSA-N 1 0 212.318 2.018 10 0 BEAERO O=C(CC1CC1)[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000306731985 350901801 /nfs/dbraw/zinc/90/18/01/350901801.db2.gz REVAFFRDAIFFJL-QJPTWQEYSA-N 1 0 207.317 2.134 10 0 BEAERO CCNC(=[NH2+])Nc1ccc(F)cc1Cl ZINC000052069033 350902544 /nfs/dbraw/zinc/90/25/44/350902544.db2.gz DNJLXFSWQZVIOH-UHFFFAOYSA-N 1 0 215.659 2.435 10 0 BEAERO CCC(=[NH2+])N[C@H](C)CN(C)Cc1ccccc1 ZINC000306737902 350909963 /nfs/dbraw/zinc/90/99/63/350909963.db2.gz ZRSYDHOGLXPYCB-GFCCVEGCSA-N 1 0 233.359 2.484 10 0 BEAERO C[C@@H]1SCCS[C@H]1C(=[NH2+])N1CCCC1 ZINC000252720500 350914545 /nfs/dbraw/zinc/91/45/45/350914545.db2.gz KYNHTOALBUYMPP-DTWKUNHWSA-N 1 0 230.402 2.297 10 0 BEAERO c1onnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000616618737 350924767 /nfs/dbraw/zinc/92/47/67/350924767.db2.gz VKQVXLQEITXJHN-CYBMUJFWSA-N 1 0 243.310 2.449 10 0 BEAERO CC(C)[NH+]1CCC(c2ccccc2C(N)=O)CC1 ZINC000616619445 350927609 /nfs/dbraw/zinc/92/76/09/350927609.db2.gz OEISJIYTYZSEPQ-UHFFFAOYSA-N 1 0 246.354 2.373 10 0 BEAERO CC(C)[NH+]1CCC(c2ccnnc2)CC1 ZINC000616619429 350927692 /nfs/dbraw/zinc/92/76/92/350927692.db2.gz NNYWFTXEJVCCBT-UHFFFAOYSA-N 1 0 205.305 2.064 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000616619523 350927763 /nfs/dbraw/zinc/92/77/63/350927763.db2.gz LAMNJKJBXAMKDT-UHFFFAOYSA-N 1 0 207.321 2.388 10 0 BEAERO [NH3+]CCN1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000616619803 350928304 /nfs/dbraw/zinc/92/83/04/350928304.db2.gz AUNUYZFWIJHQPQ-LBPRGKRZSA-N 1 0 238.762 2.478 10 0 BEAERO C[C@]1(C[NH2+][C@@]2(C)CCOC2)CCCS1 ZINC000306713391 350875049 /nfs/dbraw/zinc/87/50/49/350875049.db2.gz COSIVAQXLXOAAA-WDEREUQCSA-N 1 0 215.362 2.041 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000616617994 350881006 /nfs/dbraw/zinc/88/10/06/350881006.db2.gz OMAXTDMEAZXGES-JTQLQIEISA-N 1 0 207.321 2.388 10 0 BEAERO CC(C)[C@H](C)Nc1[nH+]ncc(N)c1Cl ZINC000306723869 350890881 /nfs/dbraw/zinc/89/08/81/350890881.db2.gz HQTVAJKOGMJEEH-LURJTMIESA-N 1 0 214.700 2.169 10 0 BEAERO CC[N@@H+]1CCCCC[C@H]1c1ccnnc1 ZINC000616621109 350966144 /nfs/dbraw/zinc/96/61/44/350966144.db2.gz KSGOCNNTZHAGLP-LBPRGKRZSA-N 1 0 205.305 2.414 10 0 BEAERO Clc1cnc([C@H]2[NH2+]C[C@H]2C2CC2)s1 ZINC000306771416 351007924 /nfs/dbraw/zinc/00/79/24/351007924.db2.gz CITMCMMUKGQTGY-XPUUQOCRSA-N 1 0 214.721 2.467 10 0 BEAERO [NH3+][C@@H](Cc1cncs1)[C@@H]1CCCCS1 ZINC000159739465 350989710 /nfs/dbraw/zinc/98/97/10/350989710.db2.gz SZSPRBDIOPSPNX-UWVGGRQHSA-N 1 0 228.386 2.299 10 0 BEAERO CC[C@H](C[NH2+]C)N(C)Cc1ccccc1 ZINC000052417400 350992003 /nfs/dbraw/zinc/99/20/03/350992003.db2.gz INFBCDDQNQEQFL-CYBMUJFWSA-N 1 0 206.333 2.116 10 0 BEAERO CC[C@H]1CC[NH2+][C@H](Cc2cncs2)C1 ZINC000159780949 351000138 /nfs/dbraw/zinc/00/01/38/351000138.db2.gz GLNNGMUYRMBLQM-UWVGGRQHSA-N 1 0 210.346 2.464 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000616620590 350944245 /nfs/dbraw/zinc/94/42/45/350944245.db2.gz LSCZEJASAWNNLD-LLVKDONJSA-N 1 0 207.321 2.319 10 0 BEAERO Cc1cc(Br)ccc1OCC(N)=[NH2+] ZINC000063062066 350949038 /nfs/dbraw/zinc/94/90/38/350949038.db2.gz QIUSNRFUUNMLQC-UHFFFAOYSA-N 1 0 243.104 2.072 10 0 BEAERO C[C@H]([NH3+])C(C)(C)Nc1ccncc1Cl ZINC000128980724 350951223 /nfs/dbraw/zinc/95/12/23/350951223.db2.gz ANAZOYLXNZMCAW-ZETCQYMHSA-N 1 0 213.712 2.273 10 0 BEAERO CCSCC[NH2+]CC1(O)CCC(C)CC1 ZINC000128991622 350955807 /nfs/dbraw/zinc/95/58/07/350955807.db2.gz QEMAPYCWOBRVFP-UHFFFAOYSA-N 1 0 231.405 2.270 10 0 BEAERO C[C@@H](Nc1cccc(N)[nH+]1)C(C)(F)F ZINC000306792061 351040875 /nfs/dbraw/zinc/04/08/75/351040875.db2.gz ZVZZOPDMLXGXBH-ZCFIWIBFSA-N 1 0 201.220 2.119 10 0 BEAERO CC1(C)CCC[N@@H+]1Cc1csc(N)n1 ZINC000063067308 351046616 /nfs/dbraw/zinc/04/66/16/351046616.db2.gz WXTYQUBGKLVFTI-UHFFFAOYSA-N 1 0 211.334 2.100 10 0 BEAERO C[C@@H]1CS[C@H]([C@@]2(C)CCCS2)[NH2+]1 ZINC000306803203 351057501 /nfs/dbraw/zinc/05/75/01/351057501.db2.gz VODGZUGGMAZVDB-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@@H]1CS[C@@H]([C@@]2(C)CCCS2)[NH2+]1 ZINC000306803202 351057570 /nfs/dbraw/zinc/05/75/70/351057570.db2.gz VODGZUGGMAZVDB-HRDYMLBCSA-N 1 0 203.376 2.323 10 0 BEAERO [NH3+][C@@H]1CCC[C@@](F)(Cc2cncs2)C1 ZINC000159843975 351012993 /nfs/dbraw/zinc/01/29/93/351012993.db2.gz YTJHNMBRPLDPNF-SCZZXKLOSA-N 1 0 214.309 2.295 10 0 BEAERO CC[N@@H+]1CC[C@H](c2ccccc2NC(C)=O)C1 ZINC000616630921 351104434 /nfs/dbraw/zinc/10/44/34/351104434.db2.gz CVYSRCLPJRUOBX-LBPRGKRZSA-N 1 0 232.327 2.454 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1cccc2ncccc21 ZINC000616631033 351104555 /nfs/dbraw/zinc/10/45/55/351104555.db2.gz FNEDPZZDSNVAON-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO Cc1ncc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)o1 ZINC000398089633 363002483 /nfs/dbraw/zinc/00/24/83/363002483.db2.gz WWIDHBJFSRBDTK-DGCLKSJQSA-N 1 0 249.358 2.042 10 0 BEAERO CC(C)Cc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000725268173 538100051 /nfs/dbraw/zinc/10/00/51/538100051.db2.gz ILNIERQBQMZVQH-CABCVRRESA-N 1 0 232.371 2.289 10 0 BEAERO CNc1ccccc1[C@@H]1C[N@@H+](C(C)C)CCN1 ZINC000616631932 351109950 /nfs/dbraw/zinc/10/99/50/351109950.db2.gz ATERPYJNFIQVFA-AWEZNQCLSA-N 1 0 233.359 2.083 10 0 BEAERO c1nnoc1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000616634572 351117226 /nfs/dbraw/zinc/11/72/26/351117226.db2.gz UCRZBWRLSIDXCU-LBPRGKRZSA-N 1 0 229.283 2.059 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1cccc2ccncc21 ZINC000616634587 351117838 /nfs/dbraw/zinc/11/78/38/351117838.db2.gz USYWXQVUFMVJQY-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]CCNC(=O)OC(C)(C)C ZINC000231674657 351072288 /nfs/dbraw/zinc/07/22/88/351072288.db2.gz MNODCYNUOYVJHY-WDEREUQCSA-N 1 0 242.363 2.289 10 0 BEAERO CC[N@@H+]1CCCCC[C@H]1c1ncccn1 ZINC000616622467 351086077 /nfs/dbraw/zinc/08/60/77/351086077.db2.gz ZDTNFJZNGHYLSA-NSHDSACASA-N 1 0 205.305 2.414 10 0 BEAERO Nc1ccccc1[C@H]1CCCCC[N@@H+]1CCO ZINC000616622532 351086898 /nfs/dbraw/zinc/08/68/98/351086898.db2.gz DJMNICBHJNCIRB-CQSZACIVSA-N 1 0 234.343 2.178 10 0 BEAERO Nc1cccc([C@H]2CCCCC[N@@H+]2CCO)c1 ZINC000616623587 351089486 /nfs/dbraw/zinc/08/94/86/351089486.db2.gz OQYOUFACTZUDTG-CQSZACIVSA-N 1 0 234.343 2.178 10 0 BEAERO OCCc1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000616624206 351090974 /nfs/dbraw/zinc/09/09/74/351090974.db2.gz YKMKPIZNNYBPSL-AWEZNQCLSA-N 1 0 219.328 2.426 10 0 BEAERO c1cc2cc([C@@H]3CCCC[NH2+]C3)ccc2nn1 ZINC000616625767 351094649 /nfs/dbraw/zinc/09/46/49/351094649.db2.gz XMJGUJADPFFSJF-CYBMUJFWSA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](n2cccn2)CC1 ZINC000616628062 351096984 /nfs/dbraw/zinc/09/69/84/351096984.db2.gz MBYMSZBYOZNQIU-GFCCVEGCSA-N 1 0 207.321 2.319 10 0 BEAERO c1cc2ccnnc2c([C@H]2CCCC[NH2+]C2)c1 ZINC000616628361 351097647 /nfs/dbraw/zinc/09/76/47/351097647.db2.gz FYMBWFWMSCFVHV-LBPRGKRZSA-N 1 0 227.311 2.487 10 0 BEAERO CNc1ccc([C@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616628616 351098277 /nfs/dbraw/zinc/09/82/77/351098277.db2.gz NVUVBFULRUYLLA-ZDUSSCGKSA-N 1 0 247.386 2.257 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2ccnc(N)c2)C1 ZINC000616654853 351191973 /nfs/dbraw/zinc/19/19/73/351191973.db2.gz PMLQCSZAEWXGET-GFCCVEGCSA-N 1 0 219.332 2.084 10 0 BEAERO CSc1nc(C)c(C(N)=[NH2+])cc1Cl ZINC000306837648 351149191 /nfs/dbraw/zinc/14/91/91/351149191.db2.gz VWVOYFQBCHODCO-UHFFFAOYSA-N 1 0 215.709 2.049 10 0 BEAERO c1cc([C@@H]2CN(Cc3ccccc3)CCO2)no1 ZINC000616642672 351154422 /nfs/dbraw/zinc/15/44/22/351154422.db2.gz GAHNFWDNQFWJHW-AWEZNQCLSA-N 1 0 244.294 2.248 10 0 BEAERO CC[N@@H+]1CCCO[C@@H](c2ccccc2CCO)C1 ZINC000616653720 351193447 /nfs/dbraw/zinc/19/34/47/351193447.db2.gz WKGXJZWMJYJHIX-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccc(CO)c1 ZINC000616646008 351169332 /nfs/dbraw/zinc/16/93/32/351169332.db2.gz RKWCWJXJHLATJK-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccon2)C1 ZINC000616650060 351173694 /nfs/dbraw/zinc/17/36/94/351173694.db2.gz RRAGFNGAQJUGAD-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO CC[N@@H+]1CCCO[C@H](c2ccc(OC)cc2)C1 ZINC000616648808 351177187 /nfs/dbraw/zinc/17/71/87/351177187.db2.gz CWJWFLJQHUOSCT-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cnoc2)C1 ZINC000616649402 351177659 /nfs/dbraw/zinc/17/76/59/351177659.db2.gz IEFRXUNVQWOIJC-NSHDSACASA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc(CO)c2)C1 ZINC000616649697 351179685 /nfs/dbraw/zinc/17/96/85/351179685.db2.gz ZPMTYISEDPVKPL-AWEZNQCLSA-N 1 0 249.354 2.351 10 0 BEAERO C[N@@H+]1CCCO[C@H](c2cnnc3ccccc32)C1 ZINC000616652561 351186440 /nfs/dbraw/zinc/18/64/40/351186440.db2.gz RNAHKWHSEFNXSV-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2c[nH]cn2)C1 ZINC000616651849 351189177 /nfs/dbraw/zinc/18/91/77/351189177.db2.gz APELDXKSMSXXST-LLVKDONJSA-N 1 0 207.321 2.388 10 0 BEAERO OCC[N@@H+]1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616654052 351194859 /nfs/dbraw/zinc/19/48/59/351194859.db2.gz KTNCLPCXQLBJBP-CYBMUJFWSA-N 1 0 237.318 2.388 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](C(F)(F)F)C1 ZINC000616652231 351190720 /nfs/dbraw/zinc/19/07/20/351190720.db2.gz FNILTXBILYKXPG-MRVPVSSYSA-N 1 0 225.254 2.438 10 0 BEAERO CN1CCOC[C@@H]1c1ccc2cnccc2c1 ZINC000616636881 351130820 /nfs/dbraw/zinc/13/08/20/351130820.db2.gz HKHRFYUVKJKBOS-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2conn2)C1 ZINC000616654851 351191094 /nfs/dbraw/zinc/19/10/94/351191094.db2.gz PGELSUUKMSWBGN-SNVBAGLBSA-N 1 0 223.320 2.438 10 0 BEAERO COc1ccc([C@H]2C[NH2+]CCN2C(C)(C)C)cc1 ZINC000616637319 351132281 /nfs/dbraw/zinc/13/22/81/351132281.db2.gz JSQHFEFSRJPQFN-CQSZACIVSA-N 1 0 248.370 2.440 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cocn2)C1 ZINC000616652203 351191208 /nfs/dbraw/zinc/19/12/08/351191208.db2.gz DWWKQLGESZQYKQ-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccccc1CO ZINC000616637842 351136280 /nfs/dbraw/zinc/13/62/80/351136280.db2.gz QLNWBBRETRASLF-CQSZACIVSA-N 1 0 249.354 2.351 10 0 BEAERO CNc1cccc([C@@H]2C[NH2+]CCN2C(C)C)c1 ZINC000616637949 351136566 /nfs/dbraw/zinc/13/65/66/351136566.db2.gz SGUCJSLOHMKDPF-AWEZNQCLSA-N 1 0 233.359 2.083 10 0 BEAERO C[C@H]1C[C@@H]1Nc1cc(N)[nH+]cc1Br ZINC000306829643 351138942 /nfs/dbraw/zinc/13/89/42/351138942.db2.gz KFKAGVNAMAAVID-FSPLSTOPSA-N 1 0 242.120 2.247 10 0 BEAERO CN1CCO[C@@H](c2ccc3ccncc3c2)C1 ZINC000616675475 351243126 /nfs/dbraw/zinc/24/31/26/351243126.db2.gz DEDHWPPJFQARIU-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO CN1CCO[C@@H](c2ccc3ncccc3c2)C1 ZINC000616678349 351246177 /nfs/dbraw/zinc/24/61/77/351246177.db2.gz YWXVGLGBDHOVPE-CQSZACIVSA-N 1 0 228.295 2.238 10 0 BEAERO [NH3+]CCN1CCc2ccccc2[C@@H]1C(F)(F)F ZINC000616678953 351249375 /nfs/dbraw/zinc/24/93/75/351249375.db2.gz PWHLBHVQSFKUNP-LLVKDONJSA-N 1 0 244.260 2.107 10 0 BEAERO CNc1ccc([C@@H]2CC[N@H+](C)CCO2)cc1 ZINC000616686971 351257793 /nfs/dbraw/zinc/25/77/93/351257793.db2.gz NJPUBIGUJTVZAU-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO C[N@@H+]1CCO[C@H](c2ccc3ccnnc3c2)CC1 ZINC000616687347 351258136 /nfs/dbraw/zinc/25/81/36/351258136.db2.gz WCEYMBSNCCJEQU-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ncco2)CC1 ZINC000616687006 351258292 /nfs/dbraw/zinc/25/82/92/351258292.db2.gz PQGVHXYGJFGLMI-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2ccccc2CCO)CC1 ZINC000616687377 351258315 /nfs/dbraw/zinc/25/83/15/351258315.db2.gz WORBASJFZLPUGO-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1ccc(F)cc1 ZINC000616656624 351196470 /nfs/dbraw/zinc/19/64/70/351196470.db2.gz WGCGDPTWWOGMMY-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cncnc1 ZINC000616656674 351196572 /nfs/dbraw/zinc/19/65/72/351196572.db2.gz YAPTXAZOKCFEEX-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO c1cnc2cccc([C@H]3CCOCC[NH2+]3)c2c1 ZINC000616657334 351198411 /nfs/dbraw/zinc/19/84/11/351198411.db2.gz AOZHKIMLDQTBNB-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2ccc(NC)cc2)C1 ZINC000616658075 351200835 /nfs/dbraw/zinc/20/08/35/351200835.db2.gz BGBBPMRRYJWNRN-CYBMUJFWSA-N 1 0 234.343 2.164 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H](c2ccc(N)cc2)C1 ZINC000616660390 351203159 /nfs/dbraw/zinc/20/31/59/351203159.db2.gz LUUACSOFHIKCTB-CYBMUJFWSA-N 1 0 234.343 2.093 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccccn2)C1 ZINC000616658440 351203926 /nfs/dbraw/zinc/20/39/26/351203926.db2.gz FHSSSPXCPOHLNF-GFCCVEGCSA-N 1 0 234.343 2.296 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccccc2N)C1 ZINC000616659917 351208973 /nfs/dbraw/zinc/20/89/73/351208973.db2.gz GNPUDFBNRLYIIT-LBPRGKRZSA-N 1 0 248.370 2.483 10 0 BEAERO c1cnc2ccc([C@@H]3CCOCC[NH2+]3)cc2c1 ZINC000616660927 351212873 /nfs/dbraw/zinc/21/28/73/351212873.db2.gz SXMQTZBWEVLSDV-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2ccc3ncccc3c2)C1 ZINC000616660974 351213951 /nfs/dbraw/zinc/21/39/51/351213951.db2.gz YNSSSBJZROPJJB-CQSZACIVSA-N 1 0 242.322 2.280 10 0 BEAERO c1cc2cc([C@@H]3CC[NH2+]CCO3)ccc2cn1 ZINC000616664988 351221760 /nfs/dbraw/zinc/22/17/60/351221760.db2.gz ZWKNGLAQFUHCCV-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cocn1 ZINC000616667508 351224048 /nfs/dbraw/zinc/22/40/48/351224048.db2.gz COXUPXXXQKNMFC-CQSZACIVSA-N 1 0 243.310 2.127 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ncccn2)CC1 ZINC000616665922 351224120 /nfs/dbraw/zinc/22/41/20/351224120.db2.gz ADPQXKXHADVEGW-LLVKDONJSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](OC(F)(F)F)CC1 ZINC000616666204 351225951 /nfs/dbraw/zinc/22/59/51/351225951.db2.gz KVVJPGUDYVFUGK-QMMMGPOBSA-N 1 0 241.253 2.370 10 0 BEAERO CC[C@H]([NH3+])[C@H](C)Nc1ccc(Cl)cn1 ZINC000306883102 351287277 /nfs/dbraw/zinc/28/72/77/351287277.db2.gz OLWWPAFHILSXKG-CBAPKCEASA-N 1 0 213.712 2.273 10 0 BEAERO Clc1ccc([C@@H]2[C@H]3CC[C@@H]2[NH2+]C3)cn1 ZINC000036079947 180585662 /nfs/dbraw/zinc/58/56/62/180585662.db2.gz JEYWCUOEFNZIIU-ARENWVFISA-N 1 0 208.692 2.200 10 0 BEAERO C[NH2+][C@@H](C)c1occc1Br ZINC000068982559 351319764 /nfs/dbraw/zinc/31/97/64/351319764.db2.gz CNEBHUSTLZSXMN-YFKPBYRVSA-N 1 0 204.067 2.323 10 0 BEAERO CSCCC[C@H](CO)[NH2+]Cc1ccccc1 ZINC000231741175 351278255 /nfs/dbraw/zinc/27/82/55/351278255.db2.gz FZOOTLOAYKNEIU-CYBMUJFWSA-N 1 0 239.384 2.280 10 0 BEAERO O[C@@H]1COCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000628467429 358463822 /nfs/dbraw/zinc/46/38/22/358463822.db2.gz VYBHAHIBEJVEKR-UONOGXRCSA-N 1 0 241.375 2.086 10 0 BEAERO C[NH2+][C@@H]1COc2cc(Br)c(C)cc21 ZINC000306975731 351396159 /nfs/dbraw/zinc/39/61/59/351396159.db2.gz AAYZGHKXRMZCQP-SECBINFHSA-N 1 0 242.116 2.410 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1cccc(Br)c1F ZINC000306980332 351397163 /nfs/dbraw/zinc/39/71/63/351397163.db2.gz PLMUUYFXMUXFNC-XPUUQOCRSA-N 1 0 230.080 2.403 10 0 BEAERO C[C@@](F)(c1ccns1)[C@@H]1CCC[NH2+]1 ZINC000306983015 351400049 /nfs/dbraw/zinc/40/00/49/351400049.db2.gz KBTWKOKYDJOFTA-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO CC(C)CC[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000034936797 351349868 /nfs/dbraw/zinc/34/98/68/351349868.db2.gz VSWHQEPLCPVMCX-LBPRGKRZSA-N 1 0 240.391 2.460 10 0 BEAERO CCCCC[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000034936727 351350201 /nfs/dbraw/zinc/35/02/01/351350201.db2.gz ROBMIPCXXDEIEU-NSHDSACASA-N 1 0 226.364 2.214 10 0 BEAERO CCCCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000034936730 351350334 /nfs/dbraw/zinc/35/03/34/351350334.db2.gz HWYWHEGWGUMBLZ-GFCCVEGCSA-N 1 0 226.364 2.167 10 0 BEAERO C[NH2+][C@@H](C1=CCCO1)[C@@H]1CCCCS1 ZINC000168246275 351352521 /nfs/dbraw/zinc/35/25/21/351352521.db2.gz UPACIEAOYXDUSL-QWRGUYRKSA-N 1 0 213.346 2.164 10 0 BEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)CC ZINC000034938602 351352927 /nfs/dbraw/zinc/35/29/27/351352927.db2.gz IILZUOQZSKQACI-MNOVXSKESA-N 1 0 214.353 2.069 10 0 BEAERO CCCCC[NH2+][C@H](C)C(=O)N[C@H](C)CC ZINC000034938622 351353512 /nfs/dbraw/zinc/35/35/12/351353512.db2.gz XNODQAJUALPQLM-GHMZBOCLSA-N 1 0 214.353 2.069 10 0 BEAERO C[C@H]([NH3+])c1cnc(N2CCC[C@H]2C)s1 ZINC000252095082 363027170 /nfs/dbraw/zinc/02/71/70/363027170.db2.gz FIQHMERAQBIHLL-SFYZADRCSA-N 1 0 211.334 2.152 10 0 BEAERO [NH3+][C@@]1(Cc2csc(Cl)c2)CCOC1 ZINC000307040933 351443624 /nfs/dbraw/zinc/44/36/24/351443624.db2.gz JZPSUXKMYDFOLD-SECBINFHSA-N 1 0 217.721 2.062 10 0 BEAERO Clc1sccc1N1CCC[NH2+]CC1 ZINC000307072973 351466591 /nfs/dbraw/zinc/46/65/91/351466591.db2.gz JCUKUDDZNTUZCZ-UHFFFAOYSA-N 1 0 216.737 2.201 10 0 BEAERO Cc1nc([C@@H]([NH3+])C[C@H]2CCCO2)cs1 ZINC000307052599 351450754 /nfs/dbraw/zinc/45/07/54/351450754.db2.gz USUCDDNHARBGRA-BDAKNGLRSA-N 1 0 212.318 2.020 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1cccc(F)c1Br ZINC000307067256 351462507 /nfs/dbraw/zinc/46/25/07/351462507.db2.gz KPMDBUXAPBYLNI-SVRRBLITSA-N 1 0 230.080 2.403 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H](C)CCC1=O ZINC000252098063 363030978 /nfs/dbraw/zinc/03/09/78/363030978.db2.gz IARYPGOIZOFZCQ-UTUOFQBUSA-N 1 0 209.333 2.476 10 0 BEAERO CO[C@@H](C[NH3+])c1csc(Br)c1 ZINC000306994636 351410857 /nfs/dbraw/zinc/41/08/57/351410857.db2.gz OFHQDZYIDQSRQK-LURJTMIESA-N 1 0 236.134 2.157 10 0 BEAERO CCn1ccc(NC(=[NH2+])NCc2ccccc2)n1 ZINC000307003043 351413988 /nfs/dbraw/zinc/41/39/88/351413988.db2.gz BUXANHBNHASTAU-UHFFFAOYSA-N 1 0 243.314 2.039 10 0 BEAERO Cn1c(N)[nH+]cc1-c1ccc(Br)o1 ZINC000307135740 351494247 /nfs/dbraw/zinc/49/42/47/351494247.db2.gz RPSGSKKHQPDPEW-UHFFFAOYSA-N 1 0 242.076 2.025 10 0 BEAERO C[C@H]1CSC[C@]12[NH2+][C@H](C)CCS2 ZINC000307108415 351483055 /nfs/dbraw/zinc/48/30/55/351483055.db2.gz JFVIMAHFOPSVBU-DJLDLDEBSA-N 1 0 203.376 2.181 10 0 BEAERO CC[C@H]1CN(C/C(C)=C/Cl)CCC[NH2+]1 ZINC000232014397 351528276 /nfs/dbraw/zinc/52/82/76/351528276.db2.gz WKZPJBXXRPRCBH-HUYFXPKMSA-N 1 0 216.756 2.203 10 0 BEAERO CC(=O)Nc1ccc(SCCC[NH3+])cc1 ZINC000019686403 187487957 /nfs/dbraw/zinc/48/79/57/187487957.db2.gz ZCQWRRMQKGDCQH-UHFFFAOYSA-N 1 0 224.329 2.086 10 0 BEAERO Cc1cc2c(cc1Cl)[C@H](CC[NH3+])CO2 ZINC000606304407 351563100 /nfs/dbraw/zinc/56/31/00/351563100.db2.gz YJNLRQYGUZKWJN-MRVPVSSYSA-N 1 0 211.692 2.473 10 0 BEAERO Cc1cc(Br)cc(NC2C[NH2+]C2)c1 ZINC000232063462 351614387 /nfs/dbraw/zinc/61/43/87/351614387.db2.gz FEBVKQPNROPLNZ-UHFFFAOYSA-N 1 0 241.132 2.141 10 0 BEAERO Cc1ccsc1-c1nc([C@H](C)[NH3+])c[nH]1 ZINC000307191832 351593598 /nfs/dbraw/zinc/59/35/98/351593598.db2.gz BRBRPCCEIOEMOM-ZETCQYMHSA-N 1 0 207.302 2.466 10 0 BEAERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccsc1Cl ZINC000307201000 351602045 /nfs/dbraw/zinc/60/20/45/351602045.db2.gz CBVKSPJVDMRNPE-WDSKDSINSA-N 1 0 232.736 2.323 10 0 BEAERO CNC(=[NH2+])Nc1cc(C)cc(Br)c1 ZINC000232053515 351605742 /nfs/dbraw/zinc/60/57/42/351605742.db2.gz WIFNROBOEMJNAQ-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO CC[C@@H](CC(=O)NCC[C@@H](C)[NH3+])C(C)(C)C ZINC000637823114 351667538 /nfs/dbraw/zinc/66/75/38/351667538.db2.gz DIIGBTMVZRDRMM-MNOVXSKESA-N 1 0 228.380 2.302 10 0 BEAERO CC[C@H](CC(=O)N1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000637860493 351721033 /nfs/dbraw/zinc/72/10/33/351721033.db2.gz ZGYFMMBMDJFNRH-NEPJUHHUSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1nc([C@]2(C3CC3)CCC[NH2+]2)cs1 ZINC000307240066 351732426 /nfs/dbraw/zinc/73/24/26/351732426.db2.gz HXGAGBHXNFIWHL-LLVKDONJSA-N 1 0 208.330 2.440 10 0 BEAERO Cc1nc([C@@H](F)[C@@H]2CCC[NH2+]2)cs1 ZINC000307245566 351753327 /nfs/dbraw/zinc/75/33/27/351753327.db2.gz MIVIHGOPWTULSL-CBAPKCEASA-N 1 0 200.282 2.214 10 0 BEAERO [NH3+][C@@H]1CCC[C@@](F)(c2cscn2)C1 ZINC000307253526 351781023 /nfs/dbraw/zinc/78/10/23/351781023.db2.gz VMYPPJXNMFWWBG-APPZFPTMSA-N 1 0 200.282 2.209 10 0 BEAERO CC1(C)CN(C/C(Cl)=C/Cl)CC[C@H]1[NH3+] ZINC000307256041 351790813 /nfs/dbraw/zinc/79/08/13/351790813.db2.gz AECLIHRACSFJFG-BZJXQOFCSA-N 1 0 237.174 2.365 10 0 BEAERO Cc1nc([C@@H](F)[C@H]2CCC[NH2+]2)cs1 ZINC000307245565 351753459 /nfs/dbraw/zinc/75/34/59/351753459.db2.gz MIVIHGOPWTULSL-APPZFPTMSA-N 1 0 200.282 2.214 10 0 BEAERO [NH3+][C@@H](C1=COCCC1)C1CC(F)(F)C1 ZINC000307251327 351770376 /nfs/dbraw/zinc/77/03/76/351770376.db2.gz QIFMPTVXEYPXRB-VIFPVBQESA-N 1 0 203.232 2.053 10 0 BEAERO CC[C@H](NC(=O)[C@@H]([NH3+])CCC(C)C)C(C)C ZINC000637950649 351824972 /nfs/dbraw/zinc/82/49/72/351824972.db2.gz HZEWCEPGEMTBNS-RYUDHWBXSA-N 1 0 228.380 2.301 10 0 BEAERO CC[C@H]([NH3+])[C@@H]1C(=O)c2ccccc2[C@H]1C ZINC000307264596 351811704 /nfs/dbraw/zinc/81/17/04/351811704.db2.gz XFJUIGYSUISYNK-JFUSQASVSA-N 1 0 203.285 2.340 10 0 BEAERO CC(C)(C)c1cccc([C@H]2CC[NH2+]C[C@@H]2N)c1 ZINC000725269196 538101403 /nfs/dbraw/zinc/10/14/03/538101403.db2.gz FSSDMTMAEKQYBO-KGLIPLIRSA-N 1 0 232.371 2.388 10 0 BEAERO [NH3+]Cc1csc(OC2CCCCC2)n1 ZINC000307303762 351927225 /nfs/dbraw/zinc/92/72/25/351927225.db2.gz DTWHWLHWLBPCDG-UHFFFAOYSA-N 1 0 212.318 2.313 10 0 BEAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638036171 351916614 /nfs/dbraw/zinc/91/66/14/351916614.db2.gz AWVBUEDZBICPIK-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO COc1ccc(C[NH3+])cc1C(=O)OC(C)(C)C ZINC000725269565 538101833 /nfs/dbraw/zinc/10/18/33/538101833.db2.gz WKGBYHSCMZUOIK-UHFFFAOYSA-N 1 0 237.299 2.109 10 0 BEAERO [NH3+]C[C@H]1CCO[C@@H]1c1sccc1Cl ZINC000307331564 352047600 /nfs/dbraw/zinc/04/76/00/352047600.db2.gz PHKCFUZSWJPZDY-SVRRBLITSA-N 1 0 217.721 2.438 10 0 BEAERO Cn1cc([C@H](O)[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000036906377 180672242 /nfs/dbraw/zinc/67/22/42/180672242.db2.gz IXTQTWYQEWYDBG-XHDPSFHLSA-N 1 0 244.338 2.211 10 0 BEAERO CC[C@@H](CC(=O)NC[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000638164319 352032344 /nfs/dbraw/zinc/03/23/44/352032344.db2.gz HCLUBKWHEBFZAB-NEPJUHHUSA-N 1 0 240.391 2.175 10 0 BEAERO COc1cc(N[C@@H](C)C[NH3+])ccc1Cl ZINC000232199714 352118845 /nfs/dbraw/zinc/11/88/45/352118845.db2.gz LPEFRBWGTUVXMH-ZETCQYMHSA-N 1 0 214.696 2.108 10 0 BEAERO CC[C@H](CC(=O)NC[C@H](C)[NH2+]C)C(C)(C)C ZINC000638222422 352081622 /nfs/dbraw/zinc/08/16/22/352081622.db2.gz SYDWAMJDRGDFGM-WDEREUQCSA-N 1 0 228.380 2.173 10 0 BEAERO CC[C@@H]1C[NH+]=C(N[C@H]2CS[C@H](C)C2)S1 ZINC000307347510 352102581 /nfs/dbraw/zinc/10/25/81/352102581.db2.gz QEJFBPQYGHRVFJ-IWSPIJDZSA-N 1 0 230.402 2.351 10 0 BEAERO Fc1c(F)c(F)c([C@H]2CC[NH2+]2)c(F)c1F ZINC000044257930 352232999 /nfs/dbraw/zinc/23/29/99/352232999.db2.gz YGZLDMFLVBQBAO-GSVOUGTGSA-N 1 0 223.144 2.417 10 0 in-vitro BEAERO CNC(=[NH2+])Nc1cc(F)cc(Br)c1 ZINC000307359563 352342690 /nfs/dbraw/zinc/34/26/90/352342690.db2.gz DMAXPPYAFAUZNG-UHFFFAOYSA-N 1 0 246.083 2.154 10 0 BEAERO C[N@H+](Cc1ccnc(Cl)n1)[C@H]1CCSC1 ZINC000307374760 352472913 /nfs/dbraw/zinc/47/29/13/352472913.db2.gz TXMJQZCZITVMKB-VIFPVBQESA-N 1 0 243.763 2.067 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271671 538103591 /nfs/dbraw/zinc/10/35/91/538103591.db2.gz QZEJQCCQUFDGKE-YYHQMBLXSA-N 1 0 209.333 2.332 10 0 BEAERO CC[C@](C)([NH3+])c1ncccc1Br ZINC000307387685 352548134 /nfs/dbraw/zinc/54/81/34/352548134.db2.gz DPVCVKQIUONOSC-VIFPVBQESA-N 1 0 229.121 2.428 10 0 BEAERO [NH3+]C1CC(OCc2sccc2Cl)C1 ZINC000307409478 352586368 /nfs/dbraw/zinc/58/63/68/352586368.db2.gz DWZKFDYXRPFBOC-UHFFFAOYSA-N 1 0 217.721 2.408 10 0 BEAERO Cc1ccoc1C[N@@H+](C)[C@@H]1CCC(=O)C1 ZINC000307450655 352602172 /nfs/dbraw/zinc/60/21/72/352602172.db2.gz OZCRUGNAYXOFRA-SNVBAGLBSA-N 1 0 207.273 2.141 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](SC(C)(C)CO)C1 ZINC000307447350 352602855 /nfs/dbraw/zinc/60/28/55/352602855.db2.gz IYCNDVOCXNFMFY-BBBLOLIVSA-N 1 0 217.378 2.006 10 0 BEAERO Cc1cc([C@@]2(C)CC[C@H](C[NH3+])O2)cs1 ZINC000307399386 352571958 /nfs/dbraw/zinc/57/19/58/352571958.db2.gz WKFPWFLIDCEYGL-GHMZBOCLSA-N 1 0 211.330 2.409 10 0 BEAERO C[NH2+][C@H](C)Cc1ccc(Br)o1 ZINC000307477589 352617766 /nfs/dbraw/zinc/61/77/66/352617766.db2.gz HXAQJJPLSSECRI-ZCFIWIBFSA-N 1 0 218.094 2.193 10 0 BEAERO [NH3+][C@@H]1CC[C@H]1Cc1ncccc1Br ZINC000307539581 352644297 /nfs/dbraw/zinc/64/42/97/352644297.db2.gz QMLCSUXCFDAQOD-IONNQARKSA-N 1 0 241.132 2.124 10 0 BEAERO CCc1cnc(-c2nc(C[NH3+])cs2)s1 ZINC000307541189 352645152 /nfs/dbraw/zinc/64/51/52/352645152.db2.gz XINDSQZNBIJMLX-UHFFFAOYSA-N 1 0 225.342 2.288 10 0 BEAERO O=C(Cc1sccc1Cl)[C@H]1CCC[NH2+]1 ZINC000307540931 352645218 /nfs/dbraw/zinc/64/52/18/352645218.db2.gz WVAFPISBNUFACA-MRVPVSSYSA-N 1 0 229.732 2.265 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1cscc1Br ZINC000307552912 352648176 /nfs/dbraw/zinc/64/81/76/352648176.db2.gz VCUAKBWXPNVOFB-YUMQZZPRSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CCO[C@H]1c1cscc1Br ZINC000307552911 352648246 /nfs/dbraw/zinc/64/82/46/352648246.db2.gz VCUAKBWXPNVOFB-SFYZADRCSA-N 1 0 248.145 2.299 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000307568554 352657100 /nfs/dbraw/zinc/65/71/00/352657100.db2.gz WBNSVMJUJSKOFN-AAEUAGOBSA-N 1 0 233.311 2.118 10 0 BEAERO CSC1([C@H]2[NH2+]CCCS2)CCC1 ZINC000307568508 352657201 /nfs/dbraw/zinc/65/72/01/352657201.db2.gz VWNSSUJRADIZQD-QMMMGPOBSA-N 1 0 203.376 2.325 10 0 BEAERO C[C@H]1CC(Cc2cncs2)=C[C@H]([NH3+])C1 ZINC000307572821 352658238 /nfs/dbraw/zinc/65/82/38/352658238.db2.gz FEKQRAAWJLZGAS-WCBMZHEXSA-N 1 0 208.330 2.369 10 0 BEAERO CC[C@@]1(C)C[NH2+][C@@H]1c1cnc(OC)s1 ZINC000307574762 352658509 /nfs/dbraw/zinc/65/85/09/352658509.db2.gz HPWARQGLGDEJMH-SCZZXKLOSA-N 1 0 212.318 2.212 10 0 BEAERO CC(C)N(CCC[NH3+])c1nc2ccccc2o1 ZINC000038074626 187772610 /nfs/dbraw/zinc/77/26/10/187772610.db2.gz YSGSFYHIQXNZJV-UHFFFAOYSA-N 1 0 233.315 2.391 10 0 BEAERO [NH3+]Cc1cn(-c2ccsc2Cl)cn1 ZINC000307585394 352661906 /nfs/dbraw/zinc/66/19/06/352661906.db2.gz LMUCXQXODYNRIJ-UHFFFAOYSA-N 1 0 213.693 2.046 10 0 BEAERO C[C@H]([NH3+])c1ccccc1N(CCO)C1CCCC1 ZINC000042509903 187776499 /nfs/dbraw/zinc/77/64/99/187776499.db2.gz QIBYUEUQISGZIH-LBPRGKRZSA-N 1 0 248.370 2.448 10 0 BEAERO [NH3+]C1(c2csc(CC3CCC3)n2)CC1 ZINC000307612127 352669950 /nfs/dbraw/zinc/66/99/50/352669950.db2.gz KGXSXKMOHDKLSA-UHFFFAOYSA-N 1 0 208.330 2.434 10 0 BEAERO C[NH2+]Cc1cccc(Cn2nc(C)cc2C)c1 ZINC000052575786 187781871 /nfs/dbraw/zinc/78/18/71/187781871.db2.gz OJWFQLFPDQHKRP-UHFFFAOYSA-N 1 0 229.327 2.268 10 0 BEAERO [NH3+]Cc1cccc(Oc2ncccc2F)c1 ZINC000054701195 187782625 /nfs/dbraw/zinc/78/26/25/187782625.db2.gz PYXMDAJJVSAHNU-UHFFFAOYSA-N 1 0 218.231 2.472 10 0 BEAERO C[C@H]1CC[C@@]([NH3+])(c2ncncc2Cl)C1 ZINC000307495165 352625312 /nfs/dbraw/zinc/62/53/12/352625312.db2.gz MAXFLYUPTOTRNS-XVKPBYJWSA-N 1 0 211.696 2.104 10 0 BEAERO [NH3+][C@H]1CC[C@H](Nc2nc(Cl)cs2)C1 ZINC000307500711 352627401 /nfs/dbraw/zinc/62/74/01/352627401.db2.gz UKCWTHJPAWLRJC-WDSKDSINSA-N 1 0 217.725 2.088 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000638756050 352689614 /nfs/dbraw/zinc/68/96/14/352689614.db2.gz CZPOTZLVUDRZOA-GFCCVEGCSA-N 1 0 236.315 2.013 10 0 BEAERO Cc1cccc(C(=O)[C@@H]2CCC[NH2+]C2)c1C ZINC000041230315 187803586 /nfs/dbraw/zinc/80/35/86/187803586.db2.gz PJOJAVJOZMFAHS-GFCCVEGCSA-N 1 0 217.312 2.486 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)c1cscn1 ZINC000307624847 352702829 /nfs/dbraw/zinc/70/28/29/352702829.db2.gz IXUNESRJOPJCSY-IUCAKERBSA-N 1 0 224.329 2.233 10 0 BEAERO CSC1([C@H]2[NH2+][C@H](C)CS2)CCC1 ZINC000307626770 352707674 /nfs/dbraw/zinc/70/76/74/352707674.db2.gz IALHFJRWSBCCSS-SFYZADRCSA-N 1 0 203.376 2.323 10 0 BEAERO Cc1cc(C[C@H]2CSC[C@@H]2[NH3+])cs1 ZINC000307616575 352675242 /nfs/dbraw/zinc/67/52/42/352675242.db2.gz QMEVHCNYRLIFEM-UWVGGRQHSA-N 1 0 213.371 2.289 10 0 BEAERO CC(C)[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000129429294 187798438 /nfs/dbraw/zinc/79/84/38/187798438.db2.gz TZIHDDJJHHDSQR-CHWSQXEVSA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](c2ccc(Br)o2)O1 ZINC000307638901 352725210 /nfs/dbraw/zinc/72/52/10/352725210.db2.gz YYECUGSGFYKJKZ-BQBZGAKWSA-N 1 0 246.104 2.221 10 0 BEAERO CC(C)[C@@](O)(C[NH3+])c1ccc(Cl)cc1 ZINC000032012879 352735006 /nfs/dbraw/zinc/73/50/06/352735006.db2.gz CIWKGSQOTQWXTM-NSHDSACASA-N 1 0 213.708 2.142 10 0 BEAERO C[C@@H]1SCC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307681835 352804544 /nfs/dbraw/zinc/80/45/44/352804544.db2.gz YXNPUMMXRMEWLX-CMPLNLGQSA-N 1 0 249.383 2.195 10 0 BEAERO C[C@H]1CC[C@H](OCc2ccccc2)C[NH2+]1 ZINC000307687271 352920114 /nfs/dbraw/zinc/92/01/14/352920114.db2.gz DEBGJUYVFNWVSW-AAEUAGOBSA-N 1 0 205.301 2.344 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2cccnc2)C[C@@H]1C ZINC000049694149 535192168 /nfs/dbraw/zinc/19/21/68/535192168.db2.gz ZKWCURUUYIWEAS-JSGCOSHPSA-N 1 0 233.359 2.296 10 0 BEAERO Cc1nc(C(C)(C)C[NH3+])ccc1Br ZINC000306199134 352991422 /nfs/dbraw/zinc/99/14/22/352991422.db2.gz RCVMNDBDCBXZCO-UHFFFAOYSA-N 1 0 243.148 2.389 10 0 BEAERO C[C@H]1CC[C@H](C(=O)c2ccsc2)C[NH2+]1 ZINC000306591260 353027790 /nfs/dbraw/zinc/02/77/90/353027790.db2.gz YJKTUPBTPKDLGA-IUCAKERBSA-N 1 0 209.314 2.319 10 0 BEAERO [NH3+]Cc1cc(F)c(F)cc1OC(F)F ZINC000306660194 353032974 /nfs/dbraw/zinc/03/29/74/353032974.db2.gz QBOCUPIIWLSYDO-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO C[N@H+](Cc1ccnc(Cl)n1)C(C)(C)C ZINC000306682901 353034525 /nfs/dbraw/zinc/03/45/25/353034525.db2.gz SZDMMBKFXYIGKR-UHFFFAOYSA-N 1 0 213.712 2.360 10 0 BEAERO CC[C@](C)(NC(=O)[C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000638858365 353034851 /nfs/dbraw/zinc/03/48/51/353034851.db2.gz OLWNTBMVRZDIAP-JKOKRWQUSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@](C)(NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000638858679 353035575 /nfs/dbraw/zinc/03/55/75/353035575.db2.gz VHNHQZGDXGKKMP-SUHUHFCYSA-N 1 0 238.375 2.199 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@@H]1c1ccsc1Cl ZINC000306222821 352996464 /nfs/dbraw/zinc/99/64/64/352996464.db2.gz KVKIXQIVRZNSLJ-BDAKNGLRSA-N 1 0 230.764 2.496 10 0 BEAERO [NH3+][C@@H](c1ccsn1)[C@H]1CCCS1 ZINC000306338422 353005024 /nfs/dbraw/zinc/00/50/24/353005024.db2.gz VVFWPSQHXJRUSY-SFYZADRCSA-N 1 0 200.332 2.039 10 0 BEAERO CCCC(CCC)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638898527 353061284 /nfs/dbraw/zinc/06/12/84/353061284.db2.gz ATZZSRFHYOXZKM-AAEUAGOBSA-N 1 0 240.391 2.256 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1cscc1Br ZINC000307229987 353062430 /nfs/dbraw/zinc/06/24/30/353062430.db2.gz AGKBSHTZOOJQIG-CLZZGJSISA-N 1 0 218.119 2.325 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000638864883 353038482 /nfs/dbraw/zinc/03/84/82/353038482.db2.gz DAMIIJWSXUTRDQ-NEPJUHHUSA-N 1 0 240.391 2.304 10 0 BEAERO CCCC[C@H](CC)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638883894 353050739 /nfs/dbraw/zinc/05/07/39/353050739.db2.gz CCBIRIVCGMPJLM-RWMBFGLXSA-N 1 0 240.391 2.256 10 0 BEAERO CCCC[C@H](CC)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638883892 353050952 /nfs/dbraw/zinc/05/09/52/353050952.db2.gz CCBIRIVCGMPJLM-AVGNSLFASA-N 1 0 240.391 2.256 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1N(C)Cc1ccccc1 ZINC000307727965 353115405 /nfs/dbraw/zinc/11/54/05/353115405.db2.gz GJQFDJZYVCMCTD-GXTWGEPZSA-N 1 0 218.344 2.259 10 0 BEAERO Cc1cccc2c1C=C(C[C@H]([NH3+])CN)CC2 ZINC000140572275 353124858 /nfs/dbraw/zinc/12/48/58/353124858.db2.gz VOXVIFBXCZLKNB-ZDUSSCGKSA-N 1 0 216.328 2.001 10 0 BEAERO [NH3+]Cc1c(F)cccc1C1CCOCC1 ZINC000536954940 323964411 /nfs/dbraw/zinc/96/44/11/323964411.db2.gz SNLNIEADTYOVOU-UHFFFAOYSA-N 1 0 209.264 2.178 10 0 BEAERO [NH3+][C@@H](Cc1cccs1)C1=COCCC1 ZINC000160068022 353128568 /nfs/dbraw/zinc/12/85/68/353128568.db2.gz GRMNJQAPZNXGQD-NSHDSACASA-N 1 0 209.314 2.312 10 0 BEAERO Clc1ccc(CC[C@H]2COCC[NH2+]2)s1 ZINC000129424588 353118652 /nfs/dbraw/zinc/11/86/52/353118652.db2.gz VQCFMUQPRGIPRG-QMMMGPOBSA-N 1 0 231.748 2.323 10 0 BEAERO CC(C)C1(C[N@@H+]2CCC(=O)[C@H](C)C2)CC1 ZINC000232615069 353143945 /nfs/dbraw/zinc/14/39/45/353143945.db2.gz KXHCYZYQNLTHHF-LLVKDONJSA-N 1 0 209.333 2.334 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)c2nccn21 ZINC000329285665 538108793 /nfs/dbraw/zinc/10/87/93/538108793.db2.gz OYEOJBASMVQAPI-NDBYEHHHSA-N 1 0 249.358 2.030 10 0 BEAERO CC(C)C[C@H](C(=O)C1CC1)[C@H]1CCC[NH2+]1 ZINC000308915607 538108927 /nfs/dbraw/zinc/10/89/27/538108927.db2.gz IFIACWZRAKZWAQ-NWDGAFQWSA-N 1 0 209.333 2.380 10 0 BEAERO C/C=C/C=C/C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917049 188082818 /nfs/dbraw/zinc/08/28/18/188082818.db2.gz MOCCYFDWNHTTCF-PJUXFPALSA-N 1 0 248.370 2.109 10 0 BEAERO CC(C)([NH3+])C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000040922809 188083849 /nfs/dbraw/zinc/08/38/49/188083849.db2.gz PMMMJOKKNHRRFF-UHFFFAOYSA-N 1 0 245.282 2.017 10 0 BEAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CC ZINC000034938600 168710537 /nfs/dbraw/zinc/71/05/37/168710537.db2.gz IILZUOQZSKQACI-QWRGUYRKSA-N 1 0 214.353 2.069 10 0 BEAERO CC(C)(C)[C@@H](CO)[NH2+]C[C@H]1Cc2ccccc21 ZINC000287857426 188095903 /nfs/dbraw/zinc/09/59/03/188095903.db2.gz RMACDZMEUWXVBJ-TZMCWYRMSA-N 1 0 233.355 2.323 10 0 BEAERO C[C@H]1CCCN(c2nc3c(s2)C[NH2+]CC3)C1 ZINC000536961290 323974851 /nfs/dbraw/zinc/97/48/51/323974851.db2.gz YSOYRIDUERLSBZ-VIFPVBQESA-N 1 0 237.372 2.025 10 0 BEAERO CC(C)CO[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000019267841 188106812 /nfs/dbraw/zinc/10/68/12/188106812.db2.gz UQTSJVORLBCQOH-STQMWFEESA-N 1 0 221.300 2.120 10 0 BEAERO CCn1c2cccc(F)c2nc1[C@H](C)[NH3+] ZINC000037442613 188106928 /nfs/dbraw/zinc/10/69/28/188106928.db2.gz OOMKDSLZZKHXRZ-ZETCQYMHSA-N 1 0 207.252 2.215 10 0 BEAERO CC(C)(C)c1cccc(OC[C@@H](O)CC[NH3+])c1 ZINC000020399795 188108629 /nfs/dbraw/zinc/10/86/29/188108629.db2.gz KLSBSIBSHSQXEK-LBPRGKRZSA-N 1 0 237.343 2.073 10 0 BEAERO CC(C)C[C@](C)(C[NH3+])N(C)Cc1ccccn1 ZINC000036777260 188112836 /nfs/dbraw/zinc/11/28/36/188112836.db2.gz BMYPWAQVQHFAOV-CQSZACIVSA-N 1 0 235.375 2.277 10 0 BEAERO CC[C@H]1CN([C@](C)(C[NH3+])CCC(C)C)CCO1 ZINC000036769513 188112955 /nfs/dbraw/zinc/11/29/55/188112955.db2.gz NEPDTBQXBONADT-KBPBESRZSA-N 1 0 242.407 2.251 10 0 BEAERO Cn1ccc2cc(C[NH2+]C3CC3)ccc21 ZINC000070631510 188113257 /nfs/dbraw/zinc/11/32/57/188113257.db2.gz YPVCRFUVOZIWPB-UHFFFAOYSA-N 1 0 200.285 2.430 10 0 BEAERO CC(C)[C@H](C)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037655148 188113916 /nfs/dbraw/zinc/11/39/16/188113916.db2.gz MFGIIUZEGMNZHV-UNXYVOJBSA-N 1 0 226.364 2.007 10 0 BEAERO CN(CC1CC1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000037925310 188114424 /nfs/dbraw/zinc/11/44/24/188114424.db2.gz FNKRBLNSLRXRAV-LBPRGKRZSA-N 1 0 240.297 2.306 10 0 BEAERO CC(C)C[C@@H](CN[C@H](C)c1cc[nH]n1)[NH+](C)C ZINC000037906981 188115006 /nfs/dbraw/zinc/11/50/06/188115006.db2.gz FENJJGHNAPZYNG-NEPJUHHUSA-N 1 0 238.379 2.037 10 0 BEAERO C[C@H]1[NH2+]CCc2cccc(OC(F)F)c21 ZINC000075701788 188115800 /nfs/dbraw/zinc/11/58/00/188115800.db2.gz BRYCSQAOBVESFY-SSDOTTSWSA-N 1 0 213.227 2.495 10 0 BEAERO CC(C)(C[NH2+][C@H]1CCC[C@H]1O)c1ccccc1 ZINC000037935042 188116084 /nfs/dbraw/zinc/11/60/84/188116084.db2.gz LMRCKUKQMUZASS-UONOGXRCSA-N 1 0 233.355 2.467 10 0 BEAERO [NH3+]CCCc1cc(Br)cs1 ZINC000044279468 188122876 /nfs/dbraw/zinc/12/28/76/188122876.db2.gz NBOOUCHSXXWTJY-UHFFFAOYSA-N 1 0 220.135 2.402 10 0 BEAERO C[NH2+]Cc1cnn(-c2ccc(F)cc2F)c1C ZINC000042355510 188119201 /nfs/dbraw/zinc/11/92/01/188119201.db2.gz RGFNPJHBKPYPSE-UHFFFAOYSA-N 1 0 237.253 2.178 10 0 BEAERO C[NH2+]Cc1cnn(-c2ccc(C)cc2)c1C ZINC000042355468 188119415 /nfs/dbraw/zinc/11/94/15/188119415.db2.gz NMOBOULEPZTWDD-UHFFFAOYSA-N 1 0 215.300 2.209 10 0 BEAERO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1ccccn1 ZINC000042580474 188120291 /nfs/dbraw/zinc/12/02/91/188120291.db2.gz CJXJVMWNLOAHMH-AWEZNQCLSA-N 1 0 233.359 2.202 10 0 BEAERO Cc1cc(C)n([C@@H](C[NH3+])c2ccc(C)s2)n1 ZINC000043243487 188121635 /nfs/dbraw/zinc/12/16/35/188121635.db2.gz WVCTWCQFZLEMOQ-NSHDSACASA-N 1 0 235.356 2.418 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[NH2+]2 ZINC000091690560 188145072 /nfs/dbraw/zinc/14/50/72/188145072.db2.gz PGKDFZLYWMMJMC-LBPRGKRZSA-N 1 0 226.320 2.097 10 0 BEAERO CC(C)(C)c1ccc([C@H]2OC[C@@H](C[NH3+])O2)cc1 ZINC000049827414 188125526 /nfs/dbraw/zinc/12/55/26/188125526.db2.gz RGWNVDRIZRMZEW-OLZOCXBDSA-N 1 0 235.327 2.357 10 0 BEAERO CC(C)[C@H](C[NH2+]C(C)(C)C)OC[C@@H]1CCOC1 ZINC000052703810 188126325 /nfs/dbraw/zinc/12/63/25/188126325.db2.gz IWHFZKLQHRWDJZ-OLZOCXBDSA-N 1 0 243.391 2.452 10 0 BEAERO CC(=O)Nc1ccc(NC(=[NH2+])NC(C)(C)C)cc1 ZINC000052069106 188126373 /nfs/dbraw/zinc/12/63/73/188126373.db2.gz YGRYCYDTADHYAH-UHFFFAOYSA-N 1 0 248.330 2.380 10 0 BEAERO CC(=O)CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055080079 188127308 /nfs/dbraw/zinc/12/73/08/188127308.db2.gz OIZPOQKATWNDCK-UHFFFAOYSA-N 1 0 240.391 2.019 10 0 BEAERO [NH3+]Cc1ccccc1CNC(=O)c1cccs1 ZINC000061841113 188128279 /nfs/dbraw/zinc/12/82/79/188128279.db2.gz YCCATKOGJRMELX-UHFFFAOYSA-N 1 0 246.335 2.137 10 0 BEAERO CCOc1ccccc1NC(=O)C[C@H](C)C[NH3+] ZINC000076619092 188134355 /nfs/dbraw/zinc/13/43/55/188134355.db2.gz YOZATUIRRGZSAO-JTQLQIEISA-N 1 0 236.315 2.009 10 0 BEAERO CSc1ccc(COCCC[NH3+])cc1 ZINC000077304736 188135482 /nfs/dbraw/zinc/13/54/82/188135482.db2.gz UWQDEIBVQZGWTP-UHFFFAOYSA-N 1 0 211.330 2.274 10 0 BEAERO COc1ccc(F)cc1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000082607484 188139363 /nfs/dbraw/zinc/13/93/63/188139363.db2.gz LAOMDBYBWRGRQY-NSHDSACASA-N 1 0 237.274 2.159 10 0 BEAERO Cc1nn(C)cc1C[NH2+]C[C@@H](C)C(C)C ZINC000126053649 188140141 /nfs/dbraw/zinc/14/01/41/188140141.db2.gz PNFVGIYIYFJTIO-SNVBAGLBSA-N 1 0 209.337 2.110 10 0 BEAERO CC(C)[C@@H]1CN(Cc2ccc(O)cc2)[C@H](C)C[NH2+]1 ZINC000083379307 188142429 /nfs/dbraw/zinc/14/24/29/188142429.db2.gz UZWVQAGHMJTGGL-DOMZBBRYSA-N 1 0 248.370 2.211 10 0 BEAERO CCn1c([C@H]([NH3+])C(C)(C)C)nc2cccnc21 ZINC000104310818 188151220 /nfs/dbraw/zinc/15/12/20/188151220.db2.gz FPUSONOMKVQOAU-JTQLQIEISA-N 1 0 232.331 2.497 10 0 BEAERO CC(C)Cn1cnnc1-c1cccc(CC[NH3+])c1 ZINC000104282765 188151260 /nfs/dbraw/zinc/15/12/60/188151260.db2.gz JUALIOZUWDDPOI-UHFFFAOYSA-N 1 0 244.342 2.102 10 0 BEAERO CC(C)N(Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000051783540 188156762 /nfs/dbraw/zinc/15/67/62/188156762.db2.gz RVGRWBKNYXEWSW-LLVKDONJSA-N 1 0 224.373 2.320 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000638996818 353238353 /nfs/dbraw/zinc/23/83/53/353238353.db2.gz OGRBFOWDWTXCAT-RTXFEEFZSA-N 1 0 238.375 2.056 10 0 BEAERO C1CC2(C1)C[N@H+](C1CCCC1)[C@H]1COC[C@@H]12 ZINC000335162075 188168178 /nfs/dbraw/zinc/16/81/78/188168178.db2.gz NLNSIHPTYNHVCU-STQMWFEESA-N 1 0 221.344 2.430 10 0 BEAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000309754868 188168914 /nfs/dbraw/zinc/16/89/14/188168914.db2.gz HJFAZQBRCUFAIE-KOLCDFICSA-N 1 0 237.372 2.271 10 0 BEAERO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000019257338 188172337 /nfs/dbraw/zinc/17/23/37/188172337.db2.gz UEOIJIJKCSFQPQ-SBMIAAHKSA-N 1 0 218.300 2.301 10 0 BEAERO CSc1ccc(N2CC[C@@H](C[NH3+])C2)cc1 ZINC000019470300 188172542 /nfs/dbraw/zinc/17/25/42/188172542.db2.gz BTOZSNWSJILYTQ-JTQLQIEISA-N 1 0 222.357 2.194 10 0 BEAERO CC(C)N(CCC(N)=[NH2+])c1ccccc1 ZINC000019517059 188173078 /nfs/dbraw/zinc/17/30/78/188173078.db2.gz DXAADBRCNGNLMG-UHFFFAOYSA-N 1 0 205.305 2.227 10 0 BEAERO C1=C(CC[NH2+]CC2=CCCOC2)CCC1 ZINC000120170526 188173178 /nfs/dbraw/zinc/17/31/78/188173178.db2.gz IHGXRCVOKLIXOS-UHFFFAOYSA-N 1 0 207.317 2.423 10 0 BEAERO CC(C)(C)c1cnc(C[NH3+])cc1OC1CC1 ZINC000095737824 188146532 /nfs/dbraw/zinc/14/65/32/188146532.db2.gz VPOLPJKRDKGYDV-UHFFFAOYSA-N 1 0 220.316 2.379 10 0 BEAERO CSc1ccc(OC2CC2)cc1C[NH3+] ZINC000095737700 188146968 /nfs/dbraw/zinc/14/69/68/188146968.db2.gz XCWSEIYORNNSGD-UHFFFAOYSA-N 1 0 209.314 2.408 10 0 BEAERO CC(C)N1c2ccccc2C2(CC[NH2+]CC2)C1=O ZINC000096091982 188147407 /nfs/dbraw/zinc/14/74/07/188147407.db2.gz CSXJZCKYDIBYKK-UHFFFAOYSA-N 1 0 244.338 2.063 10 0 BEAERO CC(C)(C)[C@H]1[NH2+][C@H](C(N)=O)C[C@H]2CCCC[C@H]21 ZINC000100188940 188149574 /nfs/dbraw/zinc/14/95/74/188149574.db2.gz QEVWIWYBRGIBPE-WYUUTHIRSA-N 1 0 238.375 2.055 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(CO)c1 ZINC000126843649 353258199 /nfs/dbraw/zinc/25/81/99/353258199.db2.gz JCYMRGGSMFFIPC-GBIKHYSHSA-N 1 0 205.301 2.238 10 0 BEAERO COc1cccc(SCCC(N)=[NH2+])c1 ZINC000019848106 188174449 /nfs/dbraw/zinc/17/44/49/188174449.db2.gz VIOJVPVEAOIRNS-UHFFFAOYSA-N 1 0 210.302 2.113 10 0 BEAERO CC(C)(C)O[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000020510884 188178113 /nfs/dbraw/zinc/17/81/13/188178113.db2.gz LNHHNMZTVMCOQD-NEPJUHHUSA-N 1 0 205.301 2.426 10 0 BEAERO FC(F)Oc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041097 180907306 /nfs/dbraw/zinc/90/73/06/180907306.db2.gz ZDDXSOXOMMPLJI-UHFFFAOYSA-N 1 0 242.269 2.452 10 0 BEAERO CSCCCC[NH2+]Cc1c(C)n[nH]c1C ZINC000124936660 324012820 /nfs/dbraw/zinc/01/28/20/324012820.db2.gz GMIZGAKKZVQXMO-UHFFFAOYSA-N 1 0 227.377 2.259 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)c1ccc(F)cc1 ZINC000032012164 188181982 /nfs/dbraw/zinc/18/19/82/188181982.db2.gz NAALVINYLJQDBA-LLVKDONJSA-N 1 0 209.264 2.382 10 0 BEAERO FC(F)Oc1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000035598786 180908132 /nfs/dbraw/zinc/90/81/32/180908132.db2.gz CFWUKXBEKMEWGX-LLVKDONJSA-N 1 0 243.253 2.339 10 0 BEAERO CC1(C)CCN(c2ncc(C[NH3+])s2)CC1 ZINC000061823613 188183757 /nfs/dbraw/zinc/18/37/57/188183757.db2.gz JITUIHBJQQBEML-UHFFFAOYSA-N 1 0 225.361 2.228 10 0 BEAERO CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336758093 188183827 /nfs/dbraw/zinc/18/38/27/188183827.db2.gz KLYSJHYJJGLUPM-GRYCIOLGSA-N 1 0 217.328 2.121 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC000638996127 353239150 /nfs/dbraw/zinc/23/91/50/353239150.db2.gz JOLJXLBYNVKJHF-CMPLNLGQSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@H](CCO)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000231077650 188187293 /nfs/dbraw/zinc/18/72/93/188187293.db2.gz ULXMGLMRNWWLLN-ZFWWWQNUSA-N 1 0 233.355 2.323 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)C1CCC([NH3+])CC1 ZINC000638997816 353240236 /nfs/dbraw/zinc/24/02/36/353240236.db2.gz RUZCYQZCEVUXQM-QFWMXSHPSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638998383 353241690 /nfs/dbraw/zinc/24/16/90/353241690.db2.gz VNYMMSBLXRVQJM-RTXFEEFZSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134569796 188222795 /nfs/dbraw/zinc/22/27/95/188222795.db2.gz JLORRAGHCALHBX-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)N1CC[C@H]([N@H+](C)C2CCCC2)C1 ZINC000336321705 188228992 /nfs/dbraw/zinc/22/89/92/188228992.db2.gz WIWFTCNENHVTPV-ZDUSSCGKSA-N 1 0 210.365 2.344 10 0 BEAERO C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)C(C)(C)C ZINC000122452381 324048492 /nfs/dbraw/zinc/04/84/92/324048492.db2.gz YYULHHNYSHFILI-SNVBAGLBSA-N 1 0 238.379 2.010 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1nccs1 ZINC000226234181 538115349 /nfs/dbraw/zinc/11/53/49/538115349.db2.gz OTYYICYJAYNCFP-IVZWLZJFSA-N 1 0 226.345 2.097 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000336741976 180937634 /nfs/dbraw/zinc/93/76/34/180937634.db2.gz WDGGRNIIJIFDSB-SDDRHHMPSA-N 1 0 215.312 2.283 10 0 BEAERO CC[C@@H]([NH2+]Cc1cncn1C)C(C)(C)C ZINC000264250285 353424295 /nfs/dbraw/zinc/42/42/95/353424295.db2.gz AMALVZBVLRRKDX-LLVKDONJSA-N 1 0 209.337 2.334 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])c1ccc(Br)cn1 ZINC000133348332 353413605 /nfs/dbraw/zinc/41/36/05/353413605.db2.gz RCXAGVMYYZARSM-RCOVLWMOSA-N 1 0 227.105 2.038 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)c1nc2cccnc2s1 ZINC000165691889 353457724 /nfs/dbraw/zinc/45/77/24/353457724.db2.gz IVVYJUFIHXPHSZ-NKWVEPMBSA-N 1 0 207.302 2.142 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ncc(C)s2)C1 ZINC000309030409 491051947 /nfs/dbraw/zinc/05/19/47/491051947.db2.gz DHIZXVZRYWDFJG-WCBMZHEXSA-N 1 0 225.361 2.204 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2Nc1cc[nH+]c(C)c1 ZINC000302561243 188415066 /nfs/dbraw/zinc/41/50/66/188415066.db2.gz LMZGNLCUPWQYQW-GFCCVEGCSA-N 1 0 243.314 2.237 10 0 BEAERO C[C@@H]1C[C@H](c2ncc(Cl)s2)C[NH2+]1 ZINC000223275862 353603001 /nfs/dbraw/zinc/60/30/01/353603001.db2.gz VKIXPKOAUFQIFJ-RITPCOANSA-N 1 0 202.710 2.262 10 0 BEAERO Cc1nn(Cc2ccccc2)c(C)c1CC[NH3+] ZINC000020397167 188462895 /nfs/dbraw/zinc/46/28/95/188462895.db2.gz HSXJEJDASPLTSJ-UHFFFAOYSA-N 1 0 229.327 2.049 10 0 BEAERO CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917139 358480279 /nfs/dbraw/zinc/48/02/79/358480279.db2.gz IJRJQXDDGFQODY-RYUDHWBXSA-N 1 0 238.375 2.023 10 0 BEAERO Fc1cccc(COC[C@@H]2CCC[NH2+]2)c1F ZINC000051816532 180997823 /nfs/dbraw/zinc/99/78/23/180997823.db2.gz MHHCZZHQGKAZHN-JTQLQIEISA-N 1 0 227.254 2.233 10 0 BEAERO Fc1cccc(N[C@H]2CCC[NH2+]C2)c1F ZINC000043327425 181002283 /nfs/dbraw/zinc/00/22/83/181002283.db2.gz QHVQYDDMYOKVOO-QMMMGPOBSA-N 1 0 212.243 2.129 10 0 BEAERO CCCNc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860219 188483013 /nfs/dbraw/zinc/48/30/13/188483013.db2.gz QHZBGHRIRAADCF-UHFFFAOYSA-N 1 0 211.696 2.446 10 0 BEAERO Fc1cccc2[nH]c(C[C@H]3CCC[NH2+]C3)nc21 ZINC000054300921 181003922 /nfs/dbraw/zinc/00/39/22/181003922.db2.gz XZHSTUNZCNYLNX-SECBINFHSA-N 1 0 233.290 2.244 10 0 BEAERO Fc1ccccc1CCN1CCC[NH2+]CCC1 ZINC000049664184 181010134 /nfs/dbraw/zinc/01/01/34/181010134.db2.gz MWDQILWAKRDMQG-UHFFFAOYSA-N 1 0 236.334 2.054 10 0 BEAERO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399049693 353745299 /nfs/dbraw/zinc/74/52/99/353745299.db2.gz WITKIVIFZYEEFJ-WDEREUQCSA-N 1 0 249.314 2.456 10 0 BEAERO Fc1ccccc1CNC1=[NH+]CCCS1 ZINC000020586446 181011476 /nfs/dbraw/zinc/01/14/76/181011476.db2.gz SNCOZTUXXTTZFX-UHFFFAOYSA-N 1 0 224.304 2.408 10 0 BEAERO Cc1cnc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000639135466 353845022 /nfs/dbraw/zinc/84/50/22/353845022.db2.gz JTNNZDYWQZIICH-UWVGGRQHSA-N 1 0 238.331 2.276 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC000343514630 353925377 /nfs/dbraw/zinc/92/53/77/353925377.db2.gz PAZMVGURKXHYRJ-FMCLSXCISA-N 1 0 241.375 2.205 10 0 BEAERO CCOC1CC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000343520475 353926073 /nfs/dbraw/zinc/92/60/73/353926073.db2.gz CNGXCMMBCBSPFK-IENTYSSBSA-N 1 0 241.375 2.347 10 0 BEAERO C([NH2+][C@H]1CCCSC1)[C@H]1CC12CCOCC2 ZINC000309709508 188528811 /nfs/dbraw/zinc/52/88/11/188528811.db2.gz WOBFKIYIAMVQTK-NEPJUHHUSA-N 1 0 241.400 2.288 10 0 BEAERO Cc1cc2c3c([nH]c2c(C)c1)CC[NH2+]C3 ZINC000032009926 188538629 /nfs/dbraw/zinc/53/86/29/188538629.db2.gz ZCPNACIFQBYXMJ-UHFFFAOYSA-N 1 0 200.285 2.430 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C1(CCO)CCCCC1 ZINC000343888370 354051040 /nfs/dbraw/zinc/05/10/40/354051040.db2.gz WXXKVBFSOYTQMQ-GFCCVEGCSA-N 1 0 243.391 2.068 10 0 BEAERO CC[C@H]([NH2+]CC[C@H](O)C(F)(F)F)[C@@H]1C[C@@H]1C ZINC000639171395 354136244 /nfs/dbraw/zinc/13/62/44/354136244.db2.gz BUWIPUVYVCRISP-JXUBOQSCSA-N 1 0 239.281 2.324 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CC(C)C1 ZINC000231788058 363353914 /nfs/dbraw/zinc/35/39/14/363353914.db2.gz DMZYUHYLIKVDDX-WXRRBKDZSA-N 1 0 212.381 2.351 10 0 BEAERO CC1(C)[C@@H]([NH3+])[C@H]1c1ccc(Br)cn1 ZINC000301031394 363357704 /nfs/dbraw/zinc/35/77/04/363357704.db2.gz UZIRYZKAKKHZHY-BDAKNGLRSA-N 1 0 241.132 2.295 10 0 BEAERO CC(C)[C@H](O)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000334710911 354507716 /nfs/dbraw/zinc/50/77/16/354507716.db2.gz ZRAXIFIHQZVGKD-NWDGAFQWSA-N 1 0 211.349 2.268 10 0 BEAERO CC(C)=CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000334797902 354552301 /nfs/dbraw/zinc/55/23/01/354552301.db2.gz YFCWBCYAGRMWMP-QWHCGFSZSA-N 1 0 221.344 2.454 10 0 BEAERO CC1(C)CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000335144879 354852803 /nfs/dbraw/zinc/85/28/03/354852803.db2.gz CFHGFTAXQYJMCQ-VXGBXAGGSA-N 1 0 238.375 2.153 10 0 BEAERO NC(=[NH2+])CCCCOCCOc1ccccc1 ZINC000049579906 181186917 /nfs/dbraw/zinc/18/69/17/181186917.db2.gz GZPGZPNXFOKYKM-UHFFFAOYSA-N 1 0 236.315 2.188 10 0 BEAERO NC(=[NH2+])CCO[C@H]1CCCc2ccccc21 ZINC000019516319 181187038 /nfs/dbraw/zinc/18/70/38/181187038.db2.gz HTEJMMLWWWUJPF-LBPRGKRZSA-N 1 0 218.300 2.407 10 0 BEAERO NC(=[NH2+])Cc1cc(Cl)cc(Cl)c1 ZINC000095757668 181186411 /nfs/dbraw/zinc/18/64/11/181186411.db2.gz RSZXMIBBYJEIFS-UHFFFAOYSA-N 1 0 203.072 2.472 10 0 BEAERO C/C(=C/Cl)COC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000308353115 355373105 /nfs/dbraw/zinc/37/31/05/355373105.db2.gz FMTHAVYCCHTCKJ-RDUYRVBTSA-N 1 0 215.724 2.429 10 0 BEAERO NC(=[NH2+])c1ccc(COC2CCCC2)cc1 ZINC000019475823 181193532 /nfs/dbraw/zinc/19/35/32/181193532.db2.gz AIHQBQRAQACSMR-UHFFFAOYSA-N 1 0 218.300 2.430 10 0 BEAERO NC(=[NH2+])c1ccc(COCc2ccco2)cc1 ZINC000019511085 181194023 /nfs/dbraw/zinc/19/40/23/181194023.db2.gz RXILFSSZHDWDFL-UHFFFAOYSA-N 1 0 230.267 2.280 10 0 BEAERO NC(=[NH2+])c1ccc(COC[C@@H]2CCCCO2)cc1 ZINC000019478973 181194359 /nfs/dbraw/zinc/19/43/59/181194359.db2.gz WQKFHCPWPPBNBK-ZDUSSCGKSA-N 1 0 248.326 2.056 10 0 BEAERO NC(=[NH2+])c1ccc(C2CCCCC2)cn1 ZINC000071186713 181194406 /nfs/dbraw/zinc/19/44/06/181194406.db2.gz BCQYJFBCEBSIGU-UHFFFAOYSA-N 1 0 203.289 2.413 10 0 BEAERO NC(=[NH2+])c1cc2ccccc2c(Cl)n1 ZINC000067173633 181194407 /nfs/dbraw/zinc/19/44/07/181194407.db2.gz MWHPDTBJGFVBEA-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1cccc(-c2ccccc2F)n1 ZINC000071186718 181194871 /nfs/dbraw/zinc/19/48/71/181194871.db2.gz NYKGXMQBICIPBE-UHFFFAOYSA-N 1 0 215.231 2.172 10 0 BEAERO NC(=[NH2+])c1cccc(-c2ccc(F)cc2)n1 ZINC000071186720 181195451 /nfs/dbraw/zinc/19/54/51/181195451.db2.gz YCWNETVUBPNYRJ-UHFFFAOYSA-N 1 0 215.231 2.172 10 0 BEAERO NC(=[NH2+])c1ccc(Cl)c2cnccc12 ZINC000082768598 181195475 /nfs/dbraw/zinc/19/54/75/181195475.db2.gz FBSBQDYKNUFGPJ-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1cccc(COCc2ccco2)c1 ZINC000019479323 181195781 /nfs/dbraw/zinc/19/57/81/181195781.db2.gz PBDVHBLTXDXSOI-UHFFFAOYSA-N 1 0 230.267 2.280 10 0 BEAERO NC(=[NH2+])c1cccnc1OCCc1cccs1 ZINC000049585680 181195930 /nfs/dbraw/zinc/19/59/30/181195930.db2.gz NKPNHGVVNPKVGM-UHFFFAOYSA-N 1 0 247.323 2.049 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2ccccn2)C[C@H](C)O1 ZINC000282238900 191604478 /nfs/dbraw/zinc/60/44/78/191604478.db2.gz NWJXUHJDNMNRQV-RYUDHWBXSA-N 1 0 234.343 2.375 10 0 BEAERO [NH2+]=C(NC1CC1)N[C@@H]1CCCc2ccccc21 ZINC000052042463 181198005 /nfs/dbraw/zinc/19/80/05/181198005.db2.gz SFEFEOMKCYKFBD-CYBMUJFWSA-N 1 0 229.327 2.340 10 0 BEAERO CC[C@@H]([NH3+])[C@@H]1Cc2ccc(C)cc2C1=O ZINC000166483932 355532636 /nfs/dbraw/zinc/53/26/36/355532636.db2.gz BQRQTRLKHBJAMW-NWDGAFQWSA-N 1 0 203.285 2.087 10 0 BEAERO [NH2+]=C(NC[C@H]1CCCCO1)NC1CCCCC1 ZINC000052048050 181198797 /nfs/dbraw/zinc/19/87/97/181198797.db2.gz FEOQNILQOCVRCV-GFCCVEGCSA-N 1 0 239.363 2.002 10 0 BEAERO NC(=[NH2+])c1ccnc(OC2CCCCC2)c1 ZINC000019513405 181197366 /nfs/dbraw/zinc/19/73/66/181197366.db2.gz ZZJWMVVEWOSGNP-UHFFFAOYSA-N 1 0 219.288 2.077 10 0 BEAERO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC000219200847 355520163 /nfs/dbraw/zinc/52/01/63/355520163.db2.gz DKGRVDUZJKZKTM-GHMZBOCLSA-N 1 0 239.388 2.184 10 0 BEAERO NC(=O)c1ccc(NC(=[NH2+])c2ccccc2)cc1 ZINC000062988814 181200168 /nfs/dbraw/zinc/20/01/68/181200168.db2.gz CBEBMMOAJRANDF-UHFFFAOYSA-N 1 0 239.278 2.223 10 0 BEAERO [NH2+]=C(NO)c1ccc(Br)cc1Cl ZINC000143119417 181200257 /nfs/dbraw/zinc/20/02/57/181200257.db2.gz QMCUGHZXYCEFKG-UHFFFAOYSA-N 1 0 249.495 2.407 10 0 BEAERO C[C@@H]([NH3+])/C=C\c1c(Cl)nc2sccn12 ZINC000308445768 355607009 /nfs/dbraw/zinc/60/70/09/355607009.db2.gz OENIJRVHHKEWJQ-VROIDLATSA-N 1 0 227.720 2.410 10 0 BEAERO CNc1cc(C[NH2+]C2CC2)c(Cl)cn1 ZINC000166575489 355701147 /nfs/dbraw/zinc/70/11/47/355701147.db2.gz HOASPAPMKDGDAS-UHFFFAOYSA-N 1 0 211.696 2.029 10 0 BEAERO [NH2+]=C1CCCN1Cc1ccc(Cl)nc1 ZINC000013798228 181206156 /nfs/dbraw/zinc/20/61/56/181206156.db2.gz KRYSNIXSLXSUOD-UHFFFAOYSA-N 1 0 209.680 2.308 10 0 BEAERO [NH2+]=C1c2cc(F)ccc2CN1C[C@H]1CCOC1 ZINC000071269219 181207646 /nfs/dbraw/zinc/20/76/46/181207646.db2.gz URLDWEAHAJGAIE-SECBINFHSA-N 1 0 234.274 2.003 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH3+])CC1 ZINC000145253170 355763268 /nfs/dbraw/zinc/76/32/68/355763268.db2.gz CYRVZPXAHIAGAG-SNVBAGLBSA-N 1 0 228.336 2.125 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000389188445 355779108 /nfs/dbraw/zinc/77/91/08/355779108.db2.gz TYFWBTQULKTCDL-RQJABVFESA-N 1 0 224.392 2.495 10 0 BEAERO CC(C)(C)OC(=O)C[C@H](C[NH3+])C1CCCC1 ZINC000584883427 355835172 /nfs/dbraw/zinc/83/51/72/355835172.db2.gz ZIIXDHVPLJFDTQ-LLVKDONJSA-N 1 0 227.348 2.483 10 0 BEAERO NC(=O)C1([NH3+])CCCCCCCCCCC1 ZINC000037870566 181213986 /nfs/dbraw/zinc/21/39/86/181213986.db2.gz OBICPUKKPFELML-UHFFFAOYSA-N 1 0 226.364 2.474 10 0 BEAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)OC(C)C ZINC000127114276 324746237 /nfs/dbraw/zinc/74/62/37/324746237.db2.gz UFPSUVUQFREKCT-NSHDSACASA-N 1 0 230.352 2.097 10 0 BEAERO CSC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000300363803 355875636 /nfs/dbraw/zinc/87/56/36/355875636.db2.gz FYAFLHMTXFCZTF-HBNTYKKESA-N 1 0 241.400 2.285 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2cc(C(C)C)ncn2)C1 ZINC000040766514 358499390 /nfs/dbraw/zinc/49/93/90/358499390.db2.gz DMXMTYKLDXQHHJ-LBPRGKRZSA-N 1 0 248.374 2.496 10 0 BEAERO CCCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037198021 535295324 /nfs/dbraw/zinc/29/53/24/535295324.db2.gz IICALBKSSRACNP-LBPRGKRZSA-N 1 0 232.327 2.484 10 0 BEAERO CCC(F)(F)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000639533000 356383689 /nfs/dbraw/zinc/38/36/89/356383689.db2.gz MWJUQAVHPSMRNA-NSHDSACASA-N 1 0 232.318 2.202 10 0 BEAERO CC[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000101566761 356418187 /nfs/dbraw/zinc/41/81/87/356418187.db2.gz LLZBUJKRUNWFNR-UHFFFAOYSA-N 1 0 206.289 2.097 10 0 BEAERO C[C@@]1(N(O)/C=C2\C=CC=[NH+]2)CCCCC1=O ZINC000006166860 356460485 /nfs/dbraw/zinc/46/04/85/356460485.db2.gz LZUXUZZJGHPSST-BZYZDCJZSA-N 1 0 220.272 2.061 10 0 BEAERO c1cc2n(c1)-c1ccccc1OC21CC[NH2+]CC1 ZINC000139814623 356441312 /nfs/dbraw/zinc/44/13/12/356441312.db2.gz UZHUJRBUAPGQEU-UHFFFAOYSA-N 1 0 240.306 2.448 10 0 BEAERO c1cnc(CC[NH2+]C2(C3CCC3)CCC2)cn1 ZINC000639670890 356586940 /nfs/dbraw/zinc/58/69/40/356586940.db2.gz JJDIWRJVIUGZLO-UHFFFAOYSA-N 1 0 231.343 2.332 10 0 BEAERO Fc1ccc(OCC[NH2+]CC2CC2)c(F)c1 ZINC000041248072 358507487 /nfs/dbraw/zinc/50/74/87/358507487.db2.gz YFGAMMKHPSHZLL-UHFFFAOYSA-N 1 0 227.254 2.343 10 0 BEAERO CC(=O)N[C@H](CCC[NH+](C)C)c1ccccc1 ZINC000001853344 356623519 /nfs/dbraw/zinc/62/35/19/356623519.db2.gz NYIGZNRKGBCDJB-CQSZACIVSA-N 1 0 234.343 2.206 10 0 BEAERO CCC[NH2+]Cc1nc(CN(CC)CC)cs1 ZINC000052378045 538470545 /nfs/dbraw/zinc/47/05/45/538470545.db2.gz QCWDRRAHTGJGCS-UHFFFAOYSA-N 1 0 241.404 2.485 10 0 BEAERO COC(C)(C)C[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000162927017 202103842 /nfs/dbraw/zinc/10/38/42/202103842.db2.gz ICFSEKXPCIAOOV-SNVBAGLBSA-N 1 0 239.363 2.022 10 0 BEAERO CCC[C@H](C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056644 538479112 /nfs/dbraw/zinc/47/91/12/538479112.db2.gz UMZQWGWXEOPSKY-OUCADQQQSA-N 1 0 238.375 2.071 10 0 BEAERO [NH3+]C1(c2ccc(Cl)c(Cl)c2)CC(O)C1 ZINC000675058489 538481700 /nfs/dbraw/zinc/48/17/00/538481700.db2.gz ITSQGSJOCFVOBT-UHFFFAOYSA-N 1 0 232.110 2.302 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000160230725 356649072 /nfs/dbraw/zinc/64/90/72/356649072.db2.gz SCHJVKMQECPIGM-TZMCWYRMSA-N 1 0 246.354 2.314 10 0 BEAERO O=Cc1sccc1C=C1CC[NH2+]CC1 ZINC000675051780 538475371 /nfs/dbraw/zinc/47/53/71/538475371.db2.gz TYFLJYLKIZOBFQ-UHFFFAOYSA-N 1 0 207.298 2.327 10 0 BEAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2C)cc1F ZINC000675055455 538476067 /nfs/dbraw/zinc/47/60/67/538476067.db2.gz STKLGMBJIWJYFK-AAEUAGOBSA-N 1 0 222.307 2.228 10 0 BEAERO C[C@@H]1CCCCN1CC12CCC(CC1)[NH2+]2 ZINC000675055960 538476829 /nfs/dbraw/zinc/47/68/29/538476829.db2.gz FKMLVQCNBOLLCQ-PNESKVBLSA-N 1 0 208.349 2.145 10 0 BEAERO C[C@]1(C(F)(F)C(F)(F)F)CC[C@@H](CC[NH3+])O1 ZINC000675056801 538478696 /nfs/dbraw/zinc/47/86/96/538478696.db2.gz PPRVONNKYJXZTI-NKWVEPMBSA-N 1 0 247.207 2.471 10 0 BEAERO CC[C@@]1(C(F)(F)F)CC[C@H](CC[NH3+])O1 ZINC000675056490 538478706 /nfs/dbraw/zinc/47/87/06/538478706.db2.gz KUILUSRQLLUDOV-SFYZADRCSA-N 1 0 211.227 2.225 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](c2cccc(F)c2)CO1 ZINC000675060821 538487157 /nfs/dbraw/zinc/48/71/57/538487157.db2.gz PXOUEWKTBXNPJJ-PWSUYJOCSA-N 1 0 209.264 2.047 10 0 BEAERO CCC(O)(CC)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000162996612 202134099 /nfs/dbraw/zinc/13/40/99/202134099.db2.gz YNDZRGDBZUJXEL-LLVKDONJSA-N 1 0 229.364 2.037 10 0 BEAERO CC[C@@H](C)[C@@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675067783 538495152 /nfs/dbraw/zinc/49/51/52/538495152.db2.gz JKKRPTPXWIHLBU-KOLCDFICSA-N 1 0 207.321 2.272 10 0 BEAERO CCN(Cc1nccn1C(C)C)CC(C)(C)O ZINC000304103962 356669858 /nfs/dbraw/zinc/66/98/58/356669858.db2.gz IZYBEHZSBCRHJN-UHFFFAOYSA-N 1 0 239.363 2.057 10 0 BEAERO CCc1cn2c(n1)C1(CCCC1)[NH2+]CCC2 ZINC000675069835 538499409 /nfs/dbraw/zinc/49/94/09/538499409.db2.gz YSESNYHXKQLULG-UHFFFAOYSA-N 1 0 219.332 2.208 10 0 BEAERO COc1ccc(C)c2cc(C[NH3+])c(OC)nc12 ZINC000675070225 538501303 /nfs/dbraw/zinc/50/13/03/538501303.db2.gz SGPJJNVPJWXOCM-UHFFFAOYSA-N 1 0 232.283 2.019 10 0 BEAERO CC[C@@H]1CCCc2sc(CC[NH3+])nc21 ZINC000675076786 538511405 /nfs/dbraw/zinc/51/14/05/538511405.db2.gz QVRXWXFBOMLEFX-MRVPVSSYSA-N 1 0 210.346 2.474 10 0 BEAERO COC(=O)[C@@H](C[NH3+])C1CCC(C(C)C)CC1 ZINC000675073926 538506528 /nfs/dbraw/zinc/50/65/28/538506528.db2.gz VRYQPGWHSHPNON-MCIGGMRASA-N 1 0 227.348 2.197 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000399488546 356664697 /nfs/dbraw/zinc/66/46/97/356664697.db2.gz SGVIHMRFJCJNGA-ZANVPECISA-N 1 0 241.281 2.310 10 0 BEAERO Cc1cn2c(n1)[C@H](CC1CCC1)[NH2+]CCC2 ZINC000675069039 538497795 /nfs/dbraw/zinc/49/77/95/538497795.db2.gz VKGYZCJMZQFPFU-LBPRGKRZSA-N 1 0 219.332 2.416 10 0 BEAERO Cc1cn2c(n1)[C@@H](CC1CCC1)[NH2+]CCC2 ZINC000675069037 538497875 /nfs/dbraw/zinc/49/78/75/538497875.db2.gz VKGYZCJMZQFPFU-GFCCVEGCSA-N 1 0 219.332 2.416 10 0 BEAERO CC[C@@H]1C[N@H+](CC(O)(CC)CC)CCS1 ZINC000163014247 202145321 /nfs/dbraw/zinc/14/53/21/202145321.db2.gz GUYVPXKUZRHYRC-LLVKDONJSA-N 1 0 231.405 2.365 10 0 BEAERO COc1ccc([C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000675082639 538523186 /nfs/dbraw/zinc/52/31/86/538523186.db2.gz RNRNPNYBVVKFSV-UWVGGRQHSA-N 1 0 225.263 2.076 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000389500953 356694322 /nfs/dbraw/zinc/69/43/22/356694322.db2.gz CATJRNLLKDEWLG-AWEZNQCLSA-N 1 0 243.354 2.352 10 0 BEAERO COc1cccc([C@]23C[C@H](CC2)[C@@H]3[NH3+])c1 ZINC000675081198 538522429 /nfs/dbraw/zinc/52/24/29/538522429.db2.gz LIZNLMVYEJGFHX-TVYUQYBPSA-N 1 0 203.285 2.074 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000084341247 538532018 /nfs/dbraw/zinc/53/20/18/538532018.db2.gz CUPOFNSDJZLADK-AXFHLTTASA-N 1 0 213.321 2.093 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@H]1CCC[C@H](C)C1 ZINC000084341251 538532138 /nfs/dbraw/zinc/53/21/38/538532138.db2.gz CUPOFNSDJZLADK-DCAQKATOSA-N 1 0 213.321 2.093 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])C1CCC(C)CC1 ZINC000084330959 538532918 /nfs/dbraw/zinc/53/29/18/538532918.db2.gz CANFTCVZUSIVOR-VQXHTEKXSA-N 1 0 213.321 2.093 10 0 BEAERO CCOC(=O)C1(C[NH3+])CC(c2ccccc2)C1 ZINC000086559534 538558126 /nfs/dbraw/zinc/55/81/26/538558126.db2.gz LPCOEGKDLKXBJD-UHFFFAOYSA-N 1 0 233.311 2.072 10 0 BEAERO CCCCC[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000220261002 538537933 /nfs/dbraw/zinc/53/79/33/538537933.db2.gz HDEXBTXJUJQTSS-JTQLQIEISA-N 1 0 207.321 2.187 10 0 BEAERO CCCCC[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000220260444 538539872 /nfs/dbraw/zinc/53/98/72/538539872.db2.gz IQYSLNFVMJBWPZ-GFCCVEGCSA-N 1 0 207.321 2.351 10 0 BEAERO CC(C)(C[NH3+])[C@H](O)c1ccc(Br)o1 ZINC000085902588 538547804 /nfs/dbraw/zinc/54/78/04/538547804.db2.gz QSVRCVJHAVUQID-MRVPVSSYSA-N 1 0 248.120 2.060 10 0 BEAERO CC[C@@H](C[NH3+])[C@@H](O)c1ccsc1Cl ZINC000312624882 538563112 /nfs/dbraw/zinc/56/31/12/538563112.db2.gz NQQUCIGPCOGCBN-POYBYMJQSA-N 1 0 219.737 2.420 10 0 BEAERO Cc1ccc(C(=O)C[C@H]2CCC[NH2+]2)s1 ZINC000086499534 538555609 /nfs/dbraw/zinc/55/56/09/538555609.db2.gz NJFYRGOWQOVASZ-SECBINFHSA-N 1 0 209.314 2.381 10 0 BEAERO Cc1ccc(C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000086499547 538555652 /nfs/dbraw/zinc/55/56/52/538555652.db2.gz XSFMTRWUIIEIBY-LBPRGKRZSA-N 1 0 203.285 2.320 10 0 BEAERO Cc1ccc(C(=O)C[C@@H]2CCC[NH2+]2)s1 ZINC000086499533 538555875 /nfs/dbraw/zinc/55/58/75/538555875.db2.gz NJFYRGOWQOVASZ-VIFPVBQESA-N 1 0 209.314 2.381 10 0 BEAERO Cc1cc(C(=O)C[C@@H]2CCC[NH2+]2)c(C)o1 ZINC000086499571 538555973 /nfs/dbraw/zinc/55/59/73/538555973.db2.gz UEAMTEPTPBVTCM-JTQLQIEISA-N 1 0 207.273 2.221 10 0 BEAERO Cc1cc(C(=O)C[C@H]2CCC[NH2+]2)c(C)o1 ZINC000086499572 538556063 /nfs/dbraw/zinc/55/60/63/538556063.db2.gz UEAMTEPTPBVTCM-SNVBAGLBSA-N 1 0 207.273 2.221 10 0 BEAERO C[C@@H]1Oc2c(c(F)ccc2Br)[C@@H]1[NH3+] ZINC000160407868 356705767 /nfs/dbraw/zinc/70/57/67/356705767.db2.gz YUBQFJXFSKVORU-RNHFCUEFSA-N 1 0 246.079 2.369 10 0 BEAERO Cc1ccc(C(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000086499548 538556332 /nfs/dbraw/zinc/55/63/32/538556332.db2.gz XSFMTRWUIIEIBY-GFCCVEGCSA-N 1 0 203.285 2.320 10 0 BEAERO CC(C)C[C@@H](C[NH3+])CC(=O)OC(C)(C)C ZINC000083862709 538525109 /nfs/dbraw/zinc/52/51/09/538525109.db2.gz POJOFZKIWCCJAO-SNVBAGLBSA-N 1 0 215.337 2.339 10 0 BEAERO CC(C)OC[C@@H]([NH3+])Cc1ccc(F)cc1 ZINC000086524171 538557650 /nfs/dbraw/zinc/55/76/50/538557650.db2.gz QCPKBDBUWCVNTA-LBPRGKRZSA-N 1 0 211.280 2.121 10 0 BEAERO Clc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000084054716 538526928 /nfs/dbraw/zinc/52/69/28/538526928.db2.gz PYIRLNBRDNQFER-JTQLQIEISA-N 1 0 239.731 2.360 10 0 BEAERO Cn1cnc2c1[C@H](CC(C)(C)C)[NH2+]CC2 ZINC000084258794 538529389 /nfs/dbraw/zinc/52/93/89/538529389.db2.gz BCWVYPCZHVHOKK-JTQLQIEISA-N 1 0 207.321 2.043 10 0 BEAERO CCOC(=O)/C=C/C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000087638775 538567904 /nfs/dbraw/zinc/56/79/04/538567904.db2.gz NQQKOMFBTXCISN-OWVOXGNYSA-N 1 0 225.332 2.226 10 0 BEAERO C[C@@H](C[NH3+])[C@@H](O)c1sccc1Cl ZINC000087723033 538569535 /nfs/dbraw/zinc/56/95/35/538569535.db2.gz HOUQGLFQWYXLRK-CAHLUQPWSA-N 1 0 205.710 2.030 10 0 BEAERO C[C@@H]1CC[NH2+][C@H](CC(=O)c2nccs2)C1 ZINC000130354944 538588794 /nfs/dbraw/zinc/58/87/94/538588794.db2.gz MADWVPMRLOOLLW-BDAKNGLRSA-N 1 0 224.329 2.104 10 0 BEAERO COCc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000088553517 356739589 /nfs/dbraw/zinc/73/95/89/356739589.db2.gz AGAISIBLOPNTAZ-LSDHHAIUSA-N 1 0 249.354 2.226 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)[NH3+])C1 ZINC000096987001 538615669 /nfs/dbraw/zinc/61/56/69/538615669.db2.gz HFKLZYVRQRQYCP-JTQLQIEISA-N 1 0 242.363 2.371 10 0 BEAERO CN1CC[C@@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000257583702 538737510 /nfs/dbraw/zinc/73/75/10/538737510.db2.gz FHNAWGIPICODMB-NEPJUHHUSA-N 1 0 224.735 2.434 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000389540751 356985674 /nfs/dbraw/zinc/98/56/74/356985674.db2.gz KFADBHDOJRRAHR-AGIUHOORSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000389576292 356994467 /nfs/dbraw/zinc/99/44/67/356994467.db2.gz XCAZPCZVHVQBGY-VIFPVBQESA-N 1 0 228.723 2.117 10 0 BEAERO CC1(C[NH2+]C[C@H]2CC23CCOCC3)CC1 ZINC000389741690 357023583 /nfs/dbraw/zinc/02/35/83/357023583.db2.gz WASNJNNSDQYWLB-LLVKDONJSA-N 1 0 209.333 2.193 10 0 BEAERO CC(C)c1cc(N[C@H]2C[NH2+]CC[C@H]2C)ncn1 ZINC000389741629 357023727 /nfs/dbraw/zinc/02/37/27/357023727.db2.gz ZURUJURXOHQREX-PWSUYJOCSA-N 1 0 234.347 2.010 10 0 BEAERO Cc1ccc(C(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000129907974 357035248 /nfs/dbraw/zinc/03/52/48/357035248.db2.gz QATSVEOFCVRWRD-SNVBAGLBSA-N 1 0 203.285 2.033 10 0 BEAERO Cc1ccc(C(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000129907767 357035462 /nfs/dbraw/zinc/03/54/62/357035462.db2.gz QATSVEOFCVRWRD-JTQLQIEISA-N 1 0 203.285 2.033 10 0 BEAERO CC1(C)C[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000389620453 357003545 /nfs/dbraw/zinc/00/35/45/357003545.db2.gz ILWYATFUPTUMGV-NEPJUHHUSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1sc2ncnc(NCCC[NH3+])c2c1C ZINC000020322255 357005479 /nfs/dbraw/zinc/00/54/79/357005479.db2.gz DLVJWKZZWXMBIC-UHFFFAOYSA-N 1 0 236.344 2.069 10 0 BEAERO CC(C)([NH3+])c1cncn1Cc1ccccc1 ZINC000129959077 357080139 /nfs/dbraw/zinc/08/01/39/357080139.db2.gz NGUMSWLPDLYQFE-UHFFFAOYSA-N 1 0 215.300 2.125 10 0 BEAERO CC[C@@H]1CCC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000305944874 357217272 /nfs/dbraw/zinc/21/72/72/357217272.db2.gz MBNQWKUTDFQJBU-LLVKDONJSA-N 1 0 248.326 2.243 10 0 BEAERO Cc1ccc([C@]2(O)CCC[NH2+]CC2)s1 ZINC000160707747 357184368 /nfs/dbraw/zinc/18/43/68/357184368.db2.gz OHWDJHUCFGMRIP-NSHDSACASA-N 1 0 211.330 2.018 10 0 BEAERO CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000582677703 357367276 /nfs/dbraw/zinc/36/72/76/357367276.db2.gz SZIASOSVCLUEOC-KFWWJZLASA-N 1 0 249.354 2.267 10 0 BEAERO [NH3+][C@H]1c2cc(Cl)ccc2CCC[C@@H]1O ZINC000039941516 491110639 /nfs/dbraw/zinc/11/06/39/491110639.db2.gz LTOASGHNLCUQCF-QWRGUYRKSA-N 1 0 211.692 2.037 10 0 BEAERO CC(C)[C@]1(C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000397173920 357507827 /nfs/dbraw/zinc/50/78/27/357507827.db2.gz AELZLPORTPJEFN-LPWJVIDDSA-N 1 0 211.349 2.314 10 0 BEAERO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000397269427 357509943 /nfs/dbraw/zinc/50/99/43/357509943.db2.gz NBUXOBPWTVGREW-WZRBSPASSA-N 1 0 213.365 2.418 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2CC[C@H](C)C2)cnn1C ZINC000230412153 357522794 /nfs/dbraw/zinc/52/27/94/357522794.db2.gz NRBQYKPYGKJBRR-JQWIXIFHSA-N 1 0 221.348 2.254 10 0 BEAERO COC(C)(C)CC[NH2+][C@H](C)c1ncc(C)o1 ZINC000230417608 357523980 /nfs/dbraw/zinc/52/39/80/357523980.db2.gz KEEUZWMERYYHOT-SNVBAGLBSA-N 1 0 226.320 2.449 10 0 BEAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000390437928 538866391 /nfs/dbraw/zinc/86/63/91/538866391.db2.gz TXRHLUOYZKIATH-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO C/C=C\CCNC(=[NH2+])NCc1ccccc1 ZINC000380548094 357604681 /nfs/dbraw/zinc/60/46/81/357604681.db2.gz JCFQYBUPAFYKCQ-IHWYPQMZSA-N 1 0 217.316 2.267 10 0 BEAERO Cc1nc(C(=O)C[C@@H]2CCCC[NH2+]2)cs1 ZINC000229142376 538881412 /nfs/dbraw/zinc/88/14/12/538881412.db2.gz CMGZYFTXWXLMQA-VIFPVBQESA-N 1 0 224.329 2.166 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1CC12CCC([NH3+])CC2 ZINC000685945994 538887559 /nfs/dbraw/zinc/88/75/59/538887559.db2.gz INIYCEQBIWPUQR-QUNCOHTASA-N 1 0 225.332 2.236 10 0 BEAERO CC[C@]1(N)C[NH2+]C[C@H]1c1cc(C)cc(C)c1 ZINC000685945919 538887593 /nfs/dbraw/zinc/88/75/93/538887593.db2.gz GECQDGFIQMNVFW-KBPBESRZSA-N 1 0 218.344 2.098 10 0 BEAERO CC(C)(C)OC(=O)[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685947298 538889301 /nfs/dbraw/zinc/88/93/01/538889301.db2.gz LMSXUNBNURUDIR-MFKMUULPSA-N 1 0 225.332 2.250 10 0 BEAERO C[C@@H]1CC[C@](NC(=O)OC(C)(C)C)(C(N)=[NH2+])C1 ZINC000685947956 538889702 /nfs/dbraw/zinc/88/97/02/538889702.db2.gz UPQNWCLDDUMWNY-PRHODGIISA-N 1 0 241.335 2.006 10 0 BEAERO CCC[NH2+]Cc1ccc2c(c1C)OCCO2 ZINC000685948133 538890187 /nfs/dbraw/zinc/89/01/87/538890187.db2.gz YMTMUXFHFOPSSE-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO CC(C)[C@@H](C)C(=O)NC1CCC(C)([NH3+])CC1 ZINC000685948116 538890208 /nfs/dbraw/zinc/89/02/08/538890208.db2.gz YCWHLIYKLXDWIR-XSRFYTQQSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](C)C1[N@@H+]1CCSC(C)(C)C1 ZINC000685951424 538895049 /nfs/dbraw/zinc/89/50/49/538895049.db2.gz UALCUEDQHWQAME-QWRGUYRKSA-N 1 0 242.432 2.058 10 0 BEAERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1C1CCCC1 ZINC000191189518 357740637 /nfs/dbraw/zinc/74/06/37/357740637.db2.gz AFTXRHGFGDMMJV-WXHSDQCUSA-N 1 0 237.343 2.203 10 0 BEAERO c1cc(C2CC[NH+](C[C@H]3CCC=CO3)CC2)n[nH]1 ZINC000191072945 357747621 /nfs/dbraw/zinc/74/76/21/357747621.db2.gz JTYIDBAHNKRZJF-CYBMUJFWSA-N 1 0 247.342 2.282 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1nccc2occc21 ZINC000235068183 357842975 /nfs/dbraw/zinc/84/29/75/357842975.db2.gz HKSSIVIWHCGRRI-VIFPVBQESA-N 1 0 219.288 2.367 10 0 BEAERO CCCO[C@@H]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000193441841 357925821 /nfs/dbraw/zinc/92/58/21/357925821.db2.gz MRMREQNWCXXMGG-CQSZACIVSA-N 1 0 242.407 2.266 10 0 BEAERO CC(C)[NH2+]CCN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000193496835 357928973 /nfs/dbraw/zinc/92/89/73/357928973.db2.gz NTVNBSFZCZJXBL-JSGCOSHPSA-N 1 0 248.370 2.139 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1ncccc1OC ZINC000160295962 357907336 /nfs/dbraw/zinc/90/73/36/357907336.db2.gz LCPBSWFLGSZGMJ-JTQLQIEISA-N 1 0 223.320 2.020 10 0 BEAERO F[C@@]1(Cc2cncs2)CCC[NH2+]CC1 ZINC000160734122 357930634 /nfs/dbraw/zinc/93/06/34/357930634.db2.gz JAZGFCHKQJDNTN-JTQLQIEISA-N 1 0 214.309 2.167 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1CCC1 ZINC000229141182 491117287 /nfs/dbraw/zinc/11/72/87/491117287.db2.gz UWHGQSMDKXOCER-GXTWGEPZSA-N 1 0 222.376 2.345 10 0 BEAERO Clc1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000035598805 358002411 /nfs/dbraw/zinc/00/24/11/358002411.db2.gz MESPDKADWJYLLZ-NSHDSACASA-N 1 0 211.692 2.391 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000037490959 358072648 /nfs/dbraw/zinc/07/26/48/358072648.db2.gz OVNINGGDICHWCO-ZIAGYGMSSA-N 1 0 237.318 2.261 10 0 BEAERO C[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000038133998 358115833 /nfs/dbraw/zinc/11/58/33/358115833.db2.gz VUKVXFNMQOEJJD-OLZOCXBDSA-N 1 0 223.291 2.135 10 0 BEAERO Nc1ccc2[nH]cc(C[C@H]3CCC[NH2+]3)c2c1 ZINC000038435551 358152095 /nfs/dbraw/zinc/15/20/95/358152095.db2.gz TXVIHCKECPXBBR-LLVKDONJSA-N 1 0 215.300 2.045 10 0 BEAERO C[N@@H+]1CC[C@H](c2c[nH]c3ccc(N)cc32)C1 ZINC000038435552 358152342 /nfs/dbraw/zinc/15/23/42/358152342.db2.gz NEQAWYTYZBCYHY-VIFPVBQESA-N 1 0 215.300 2.169 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000218793251 134259838 /nfs/dbraw/zinc/25/98/38/134259838.db2.gz OISCTPXAGVSCBC-SDDRHHMPSA-N 1 0 231.380 2.187 10 0 BEAERO C[NH+](C)CC[C@@H]1CCc2ccccc2N1 ZINC000039410013 358226654 /nfs/dbraw/zinc/22/66/54/358226654.db2.gz NUKSQUDGAPXPEA-LBPRGKRZSA-N 1 0 204.317 2.365 10 0 BEAERO CC[NH+](CC)CCCNCc1ccc(C)nc1 ZINC000124235748 491126065 /nfs/dbraw/zinc/12/60/65/491126065.db2.gz IQWYPUYZWNBFHU-UHFFFAOYSA-N 1 0 235.375 2.212 10 0 BEAERO CCN1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000040502208 358237616 /nfs/dbraw/zinc/23/76/16/358237616.db2.gz HMYZKBNUSYNKCH-CYBMUJFWSA-N 1 0 222.376 2.249 10 0 BEAERO Nc1ccc2c(c1)C[C@H]([NH+]1CCCCC1)C2 ZINC000039219919 358220606 /nfs/dbraw/zinc/22/06/06/358220606.db2.gz BDOFFYKNBQYFGH-CQSZACIVSA-N 1 0 216.328 2.222 10 0 BEAERO COC[C@@H]([NH3+])c1ccc(-n2cccc2)c(F)c1 ZINC000584595256 358252571 /nfs/dbraw/zinc/25/25/71/358252571.db2.gz XQNUUHIDADPUNK-GFCCVEGCSA-N 1 0 234.274 2.263 10 0 BEAERO CO[C@@H]1O[C@H](C2([NH3+])CCCCC2)[C@H]2C=CC=C[C@H]12 ZINC000584600667 358257451 /nfs/dbraw/zinc/25/74/51/358257451.db2.gz SVJLGVKANKFEGS-XDQVBPFNSA-N 1 0 249.354 2.378 10 0 BEAERO C[NH+](C)[C@H]1CCC[C@](O)(c2ccccc2)C1 ZINC000584601234 358258389 /nfs/dbraw/zinc/25/83/89/358258389.db2.gz CIJHRGRUNPFGQK-UONOGXRCSA-N 1 0 219.328 2.378 10 0 BEAERO C[C@H](Oc1cccc2cnccc21)C1=[NH+]CCN1 ZINC000584606110 358265160 /nfs/dbraw/zinc/26/51/60/358265160.db2.gz CFTMCFKFANDFFE-JTQLQIEISA-N 1 0 241.294 2.004 10 0 BEAERO CCOCC[NH2+]C[C@@H](C)C(=O)c1ccccc1 ZINC000584621019 358287961 /nfs/dbraw/zinc/28/79/61/358287961.db2.gz FOJSWGNMXSLXEO-GFCCVEGCSA-N 1 0 235.327 2.132 10 0 BEAERO C[N@@H+]1CCC=C[C@@H]1C[C@@H](O)c1ccccc1 ZINC000584629356 358298282 /nfs/dbraw/zinc/29/82/82/358298282.db2.gz GWPTZCOGIWPPRH-ZIAGYGMSSA-N 1 0 217.312 2.370 10 0 BEAERO Oc1ccc(OCC[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000584648125 358302602 /nfs/dbraw/zinc/30/26/02/358302602.db2.gz BMUDTLSVMNCFJM-NSHDSACASA-N 1 0 239.290 2.062 10 0 BEAERO C#[N+]c1cncc(I)c1 ZINC000584648903 358303255 /nfs/dbraw/zinc/30/32/55/358303255.db2.gz XKQCBMHGIKDGLL-UHFFFAOYSA-N 1 0 230.008 2.237 10 0 BEAERO C[C@@H]1Cn2ncc(-c3ccc(F)cc3)c2C[NH2+]1 ZINC000584648785 358303428 /nfs/dbraw/zinc/30/34/28/358303428.db2.gz RZTWDJYKEZQMHS-SECBINFHSA-N 1 0 231.274 2.181 10 0 BEAERO C[N@@H+]1CCC[C@H]([C@H](O)c2ccccc2)C1 ZINC000584631654 358314018 /nfs/dbraw/zinc/31/40/18/358314018.db2.gz ICUIFJSALYQOQF-QWHCGFSZSA-N 1 0 205.301 2.062 10 0 BEAERO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)Cc1ccccc1 ZINC000584650808 358305735 /nfs/dbraw/zinc/30/57/35/358305735.db2.gz YXUHUEJBLNZKJC-OLZOCXBDSA-N 1 0 249.354 2.359 10 0 BEAERO C[NH+](C)[C@@]1(c2cccc(O)c2)CC[C@@](C)(O)CC1 ZINC000584651004 358305841 /nfs/dbraw/zinc/30/58/41/358305841.db2.gz IUGITEYYLHXZJX-GASCZTMLSA-N 1 0 249.354 2.474 10 0 BEAERO CC(=O)OC[C@H]1C[N@H+](C)CC[C@H]1c1ccccc1 ZINC000584631608 358314129 /nfs/dbraw/zinc/31/41/29/358314129.db2.gz BTLNNCJPHFDAJJ-CABCVRRESA-N 1 0 247.338 2.285 10 0 BEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000392892781 259479204 /nfs/dbraw/zinc/47/92/04/259479204.db2.gz BIOHQRSXMZBIRO-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@H]1CC1(F)F ZINC000622016537 370664504 /nfs/dbraw/zinc/66/45/04/370664504.db2.gz JHLNUQPNRCBUAD-DTWKUNHWSA-N 1 0 221.291 2.028 10 0 BEAERO CC[N@@H+]1CC[C@@H]([C@H](O)c2ccccc2)C1 ZINC000584633991 358317600 /nfs/dbraw/zinc/31/76/00/358317600.db2.gz VWFIZHXBKQSZQF-CHWSQXEVSA-N 1 0 205.301 2.062 10 0 BEAERO CCSCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226238436 358336629 /nfs/dbraw/zinc/33/66/29/358336629.db2.gz KGLGDBWZLKQVIO-QJPTWQEYSA-N 1 0 231.405 2.411 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000219024583 134273421 /nfs/dbraw/zinc/27/34/21/134273421.db2.gz FNEXJZHNAKCNDI-UKRRQHHQSA-N 1 0 249.354 2.336 10 0 BEAERO CCc1cccc(C)c1CC1=[NH+]CCN1 ZINC000043154465 358368522 /nfs/dbraw/zinc/36/85/22/358368522.db2.gz ARNAWIVJGXMNMD-UHFFFAOYSA-N 1 0 202.301 2.102 10 0 BEAERO C[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000230673387 358409057 /nfs/dbraw/zinc/40/90/57/358409057.db2.gz CVLUYBDVDQZINS-UMSGYPCISA-N 1 0 211.349 2.316 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1C ZINC000230671588 358409644 /nfs/dbraw/zinc/40/96/44/358409644.db2.gz MIDXFUSDXUQSQY-BFHYXJOUSA-N 1 0 243.391 2.190 10 0 BEAERO CCC[C@@](C)(O)C[NH2+]CCOc1ccccc1 ZINC000230702489 358410181 /nfs/dbraw/zinc/41/01/81/358410181.db2.gz DHBVISXNSIKKFJ-CQSZACIVSA-N 1 0 237.343 2.206 10 0 BEAERO CCN(CC)C[C@H]1[NH2+]CCc2ccccc21 ZINC000043595893 358383742 /nfs/dbraw/zinc/38/37/42/358383742.db2.gz UBXTZNJBPNHZMM-CQSZACIVSA-N 1 0 218.344 2.215 10 0 BEAERO CC(C)[NH2+]CCC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000044678840 358392322 /nfs/dbraw/zinc/39/23/22/358392322.db2.gz UTOCXAJMUNVSCW-UONOGXRCSA-N 1 0 246.354 2.047 10 0 BEAERO CCc1nc(C)cc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000310274536 358443605 /nfs/dbraw/zinc/44/36/05/358443605.db2.gz SIBDMKDIEPDAHX-NSHDSACASA-N 1 0 236.363 2.133 10 0 BEAERO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000389345591 358420835 /nfs/dbraw/zinc/42/08/35/358420835.db2.gz UJLWNMJACLXTDC-GRYCIOLGSA-N 1 0 213.365 2.419 10 0 BEAERO C[C@H]1CCC(=O)[C@@H](C[NH+]2CCCCC2)C1 ZINC000053925347 358581222 /nfs/dbraw/zinc/58/12/22/358581222.db2.gz JTTIDDPLJQVLFI-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnn1 ZINC000126432073 358549445 /nfs/dbraw/zinc/54/94/45/358549445.db2.gz NYQTZFGHJZBCGB-CHWSQXEVSA-N 1 0 236.363 2.227 10 0 BEAERO C[C@@H]1CCC(=O)[C@@H](C[NH+]2CCCCC2)C1 ZINC000053925346 358580731 /nfs/dbraw/zinc/58/07/31/358580731.db2.gz JTTIDDPLJQVLFI-VXGBXAGGSA-N 1 0 209.333 2.478 10 0 BEAERO CC[C@@H](COC)[NH2+][C@@H](CO)c1sccc1C ZINC000130453499 358626669 /nfs/dbraw/zinc/62/66/69/358626669.db2.gz OYOMEPGBEVEQSV-QWRGUYRKSA-N 1 0 243.372 2.105 10 0 BEAERO ClC(Cl)=CC[NH2+][C@@H]1CCSC1 ZINC000403334975 358628860 /nfs/dbraw/zinc/62/88/60/358628860.db2.gz BAKKVXQRRJCLTM-ZCFIWIBFSA-N 1 0 212.145 2.401 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000131277161 358667008 /nfs/dbraw/zinc/66/70/08/358667008.db2.gz QDIUKKIPIGMVOJ-MWLCHTKSSA-N 1 0 237.299 2.344 10 0 BEAERO CCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073839 358669611 /nfs/dbraw/zinc/66/96/11/358669611.db2.gz XQXZYUYWOCQXJK-UHFFFAOYSA-N 1 0 238.375 2.121 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccsc1 ZINC000035719297 358687055 /nfs/dbraw/zinc/68/70/55/358687055.db2.gz IPPDDKBUZWGLRS-MWLCHTKSSA-N 1 0 240.372 2.080 10 0 BEAERO CC[C@H](C)C[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000133573710 358759881 /nfs/dbraw/zinc/75/98/81/358759881.db2.gz CDBFUOAUPHOMHO-WDEREUQCSA-N 1 0 236.363 2.311 10 0 BEAERO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000132320029 358719203 /nfs/dbraw/zinc/71/92/03/358719203.db2.gz JJLNOZGGAKFFHS-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000132319788 358719333 /nfs/dbraw/zinc/71/93/33/358719333.db2.gz JJLNOZGGAKFFHS-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1cccs1 ZINC000050394689 358726375 /nfs/dbraw/zinc/72/63/75/358726375.db2.gz RESAWFSTGDUSGT-ZJUUUORDSA-N 1 0 238.356 2.067 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@H]1CCO[C@H]1C ZINC000134242641 358783734 /nfs/dbraw/zinc/78/37/34/358783734.db2.gz VFJULZNEUVWAFL-AAEUAGOBSA-N 1 0 235.327 2.271 10 0 BEAERO C[C@@H](CC[NH3+])Nc1ccc2ccccc2n1 ZINC000134273354 358785784 /nfs/dbraw/zinc/78/57/84/358785784.db2.gz DOKVKMWJRKWKBK-JTQLQIEISA-N 1 0 215.300 2.384 10 0 BEAERO COc1cccc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052761820 358792312 /nfs/dbraw/zinc/79/23/12/358792312.db2.gz BOMAPRKFLQGHMX-CQSZACIVSA-N 1 0 249.354 2.432 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]([C@H]2CCCSC2)SC1 ZINC000306150606 358872605 /nfs/dbraw/zinc/87/26/05/358872605.db2.gz DHEMKTQGVNWGFL-KXUCPTDWSA-N 1 0 217.403 2.428 10 0 BEAERO CCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000135514203 358841964 /nfs/dbraw/zinc/84/19/64/358841964.db2.gz GAJSZAWOFBENPD-STQMWFEESA-N 1 0 240.391 2.317 10 0 BEAERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)C1CCCC1 ZINC000054080269 358850546 /nfs/dbraw/zinc/85/05/46/358850546.db2.gz IOYWEWSPYYJZTP-QFWMXSHPSA-N 1 0 238.375 2.199 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCCCNC2=O)CC1 ZINC000058790321 358915008 /nfs/dbraw/zinc/91/50/08/358915008.db2.gz ZFFSRARQXZJPTR-BPCQOVAHSA-N 1 0 238.375 2.071 10 0 BEAERO COc1ccc([C@H]2C[C@H]2[NH3+])c(Br)c1 ZINC000306170395 358978683 /nfs/dbraw/zinc/97/86/83/358978683.db2.gz JUYKMCCGWPKCCZ-PSASIEDQSA-N 1 0 242.116 2.272 10 0 BEAERO CS[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H]1C ZINC000300358250 358971331 /nfs/dbraw/zinc/97/13/31/358971331.db2.gz DHUSWVYCHPOCFO-XWLWVQCSSA-N 1 0 215.362 2.038 10 0 BEAERO CC[C@@H]1CS[C@]2(CCS[C@H]2C)[NH2+]1 ZINC000300353231 358971562 /nfs/dbraw/zinc/97/15/62/358971562.db2.gz VGVCEIYONFTCIS-YIZRAAEISA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H]1SCC[C@@]12[NH2+][C@H](C)CCS2 ZINC000300353915 358971652 /nfs/dbraw/zinc/97/16/52/358971652.db2.gz ZOCHYJOOHQLBNQ-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@@H]1SCC[C@@]12[NH2+][C@H](C)CCS2 ZINC000300353920 358972051 /nfs/dbraw/zinc/97/20/51/358972051.db2.gz ZOCHYJOOHQLBNQ-VGMNWLOBSA-N 1 0 203.376 2.323 10 0 BEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1CC1 ZINC000177706787 134301926 /nfs/dbraw/zinc/30/19/26/134301926.db2.gz MQCVKTGYTCDIIO-AGIUHOORSA-N 1 0 237.343 2.203 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1nc2ccccc2o1 ZINC000070010599 359037606 /nfs/dbraw/zinc/03/76/06/359037606.db2.gz OOQWBORDUPEOHV-SECBINFHSA-N 1 0 219.288 2.223 10 0 BEAERO CS[C@@H]1CC[C@H]([N@@H+]2CCC(=O)[C@H](C)C2)C1 ZINC000300384476 358980955 /nfs/dbraw/zinc/98/09/55/358980955.db2.gz JCJVQOMZVZVDIL-OUAUKWLOSA-N 1 0 227.373 2.181 10 0 BEAERO CS[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)[C@H](C)C2)C1 ZINC000300384475 358980998 /nfs/dbraw/zinc/98/09/98/358980998.db2.gz JCJVQOMZVZVDIL-GMTAPVOTSA-N 1 0 227.373 2.181 10 0 BEAERO COCCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246472106 359110959 /nfs/dbraw/zinc/11/09/59/359110959.db2.gz ZWJDXYGWDNBOHP-OLZOCXBDSA-N 1 0 227.348 2.056 10 0 BEAERO CSCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247136988 359196342 /nfs/dbraw/zinc/19/63/42/359196342.db2.gz AXFAHLQLVGPXOI-QWHCGFSZSA-N 1 0 243.416 2.367 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C=C(C)C ZINC000247051903 359191677 /nfs/dbraw/zinc/19/16/77/359191677.db2.gz WLQJALPGOGLSIP-OLZOCXBDSA-N 1 0 236.359 2.038 10 0 BEAERO CC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247049934 359191937 /nfs/dbraw/zinc/19/19/37/359191937.db2.gz OMPAAYDBFXWUNV-QWRGUYRKSA-N 1 0 209.289 2.187 10 0 BEAERO c1c[nH]c(C[NH2+]C[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)n1 ZINC000246745621 359161368 /nfs/dbraw/zinc/16/13/68/359161368.db2.gz GXXKKMASGIFXCM-VNHYZAJKSA-N 1 0 239.322 2.085 10 0 BEAERO CSCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247122356 359195703 /nfs/dbraw/zinc/19/57/03/359195703.db2.gz YWHGKLPVQQPMAZ-NEPJUHHUSA-N 1 0 229.389 2.383 10 0 BEAERO COCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248165453 359257792 /nfs/dbraw/zinc/25/77/92/359257792.db2.gz SWVAHDGUOUWSEA-KBPBESRZSA-N 1 0 241.375 2.040 10 0 BEAERO Cc1ccc(CN[C@@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC000247479195 359222961 /nfs/dbraw/zinc/22/29/61/359222961.db2.gz VZBLLNPKQPHVSA-BXUZGUMPSA-N 1 0 236.359 2.406 10 0 BEAERO CCNC(=[NH2+])[C@@H]1SCCS[C@@H]1CC ZINC000228187204 359360054 /nfs/dbraw/zinc/36/00/54/359360054.db2.gz GWSLYTKDHVQHPC-HTQZYQBOSA-N 1 0 218.391 2.200 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1c(F)cccc1Cl ZINC000306229627 359361406 /nfs/dbraw/zinc/36/14/06/359361406.db2.gz YVXMCVHMYHVRHI-LURJTMIESA-N 1 0 215.655 2.399 10 0 BEAERO O=C(c1ccsc1Cl)[C@H]1CCC[NH2+]1 ZINC000306219436 359338178 /nfs/dbraw/zinc/33/81/78/359338178.db2.gz PYASAXHBJPSQFA-SSDOTTSWSA-N 1 0 215.705 2.336 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@H]1c1ccsc1Cl ZINC000306222828 359345661 /nfs/dbraw/zinc/34/56/61/359345661.db2.gz KVKIXQIVRZNSLJ-RKDXNWHRSA-N 1 0 230.764 2.496 10 0 BEAERO C[C@@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)[C@@H]1C ZINC000306243977 359427348 /nfs/dbraw/zinc/42/73/48/359427348.db2.gz USNZKVXMMSPNEO-LALPHHSUSA-N 1 0 243.354 2.232 10 0 BEAERO [NH3+][C@H](c1cn[nH]c1)c1ccsc1Cl ZINC000306270075 359493281 /nfs/dbraw/zinc/49/32/81/359493281.db2.gz NRDGRAMDPDYGPJ-SSDOTTSWSA-N 1 0 213.693 2.173 10 0 BEAERO C[C@@H]1CC[NH2+][C@H]([C@@H]2C[C@H](C)CCC2=O)C1 ZINC000130318879 359496892 /nfs/dbraw/zinc/49/68/92/359496892.db2.gz XBAIJERVMDLYMS-WYUUTHIRSA-N 1 0 209.333 2.380 10 0 BEAERO [NH2+]=C1NC[C@H](c2cc(Cl)sc2Cl)N1 ZINC000306285355 359518311 /nfs/dbraw/zinc/51/83/11/359518311.db2.gz CHZBZSIGHNFOKC-SCSAIBSYSA-N 1 0 236.127 2.014 10 0 BEAERO C[C@H]1C[NH2+]C2(C[C@H]3CC[C@@H](C2)S3)S1 ZINC000403581283 359555226 /nfs/dbraw/zinc/55/52/26/359555226.db2.gz KKKGGXAIKPWCKD-IZJGZUANSA-N 1 0 215.387 2.466 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(CO)CC1 ZINC000308962710 491141347 /nfs/dbraw/zinc/14/13/47/491141347.db2.gz SKTRBEBDPZRAAF-RYUDHWBXSA-N 1 0 211.349 2.317 10 0 BEAERO CC(C)n1cc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000226240598 359621855 /nfs/dbraw/zinc/62/18/55/359621855.db2.gz LBPXIPWKWHQKCT-ZDUSSCGKSA-N 1 0 237.347 2.123 10 0 BEAERO Clc1ccc2c(c1)CC[C@]1(CC[NH2+]C1)O2 ZINC000036141999 359659630 /nfs/dbraw/zinc/65/96/30/359659630.db2.gz BDSXYAFEFYJPNX-GFCCVEGCSA-N 1 0 223.703 2.397 10 0 BEAERO O[C@H](c1ccsc1Cl)[C@@H]1CCC[NH2+]1 ZINC000306367991 359698874 /nfs/dbraw/zinc/69/88/74/359698874.db2.gz AMVXKAWMKIEWLS-JGVFFNPUSA-N 1 0 217.721 2.187 10 0 BEAERO O[C@@H](c1ccsc1Cl)[C@H]1CCC[NH2+]1 ZINC000306367993 359699109 /nfs/dbraw/zinc/69/91/09/359699109.db2.gz AMVXKAWMKIEWLS-SFYZADRCSA-N 1 0 217.721 2.187 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000309090158 491144512 /nfs/dbraw/zinc/14/45/12/491144512.db2.gz BWDRROSVBZHVQW-YNEHKIRRSA-N 1 0 212.381 2.352 10 0 BEAERO CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC000245862472 325531048 /nfs/dbraw/zinc/53/10/48/325531048.db2.gz FPNGPWQDPDNFJK-FRRDWIJNSA-N 1 0 240.391 2.221 10 0 BEAERO Cl/C=C(/Cl)C[NH2+][C@H]1CCSC1 ZINC000231352021 359902325 /nfs/dbraw/zinc/90/23/25/359902325.db2.gz FYBPFWKHECXUCO-ZAXDUSRUSA-N 1 0 212.145 2.401 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ncnc2ccsc21 ZINC000087362205 359908819 /nfs/dbraw/zinc/90/88/19/359908819.db2.gz SKJWJVKQBMXZBF-QMMMGPOBSA-N 1 0 236.344 2.231 10 0 BEAERO CC[C@H]1CCSC(N[C@@H]2CCSC2)=[NH+]1 ZINC000231359889 359915024 /nfs/dbraw/zinc/91/50/24/359915024.db2.gz VSYYQRVZJXNFKU-DTWKUNHWSA-N 1 0 230.402 2.353 10 0 BEAERO CSC1([C@@H]2[NH2+]C[C@H](C)CS2)CC1 ZINC000306446622 360011695 /nfs/dbraw/zinc/01/16/95/360011695.db2.gz BOXSHDNABCMLLV-JGVFFNPUSA-N 1 0 203.376 2.181 10 0 BEAERO FC(F)(F)[C@H]1CC[C@H]1[NH2+]C1CSC1 ZINC000306449333 360015686 /nfs/dbraw/zinc/01/56/86/360015686.db2.gz YDALIYLCYSILGP-NKWVEPMBSA-N 1 0 211.252 2.032 10 0 BEAERO CC(C)[N@H+](C)Cc1cc(Br)no1 ZINC000306447220 360020622 /nfs/dbraw/zinc/02/06/22/360020622.db2.gz DLHGPBOKIOCKRK-UHFFFAOYSA-N 1 0 233.109 2.277 10 0 BEAERO C[C@@H]([NH2+]CC1CCC(C)CC1)c1nncn1C ZINC000089575941 360027477 /nfs/dbraw/zinc/02/74/77/360027477.db2.gz JVSMQYWLBLXYBZ-MOENNCHZSA-N 1 0 236.363 2.292 10 0 BEAERO CCC1(C(=O)c2ccoc2)CC[NH2+]CC1 ZINC000169280783 360046037 /nfs/dbraw/zinc/04/60/37/360046037.db2.gz LWIPOLBEVFNZBR-UHFFFAOYSA-N 1 0 207.273 2.242 10 0 BEAERO C[C@]1(O)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000306454974 360051449 /nfs/dbraw/zinc/05/14/49/360051449.db2.gz ZVEQSCRTRZHYTD-OLZOCXBDSA-N 1 0 205.301 2.080 10 0 BEAERO C[C@]1(O)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000306454976 360051772 /nfs/dbraw/zinc/05/17/72/360051772.db2.gz ZVEQSCRTRZHYTD-STQMWFEESA-N 1 0 205.301 2.080 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090226096 360066836 /nfs/dbraw/zinc/06/68/36/360066836.db2.gz BNDNFGLXJLRDRR-HOSYDEDBSA-N 1 0 236.363 2.446 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)C(C)C ZINC000090226988 360067055 /nfs/dbraw/zinc/06/70/55/360067055.db2.gz YLHPKPCNJKBTNI-RYUDHWBXSA-N 1 0 236.363 2.446 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C(C)(C)C ZINC000090224334 360067216 /nfs/dbraw/zinc/06/72/16/360067216.db2.gz BCWFWXOBROBEFR-ONGXEEELSA-N 1 0 236.363 2.446 10 0 BEAERO CC[C@@H](C)C[NH2+][C@@H]1CCCn2c(C)nnc21 ZINC000093079924 360214886 /nfs/dbraw/zinc/21/48/86/360214886.db2.gz UIZSFFBQYPWYGA-MWLCHTKSSA-N 1 0 222.336 2.057 10 0 BEAERO [NH3+][C@@H](Cc1csc(Cl)c1)[C@H]1CCCO1 ZINC000306515371 360341419 /nfs/dbraw/zinc/34/14/19/360341419.db2.gz DELDGDKMZZRUFL-DTWKUNHWSA-N 1 0 231.748 2.450 10 0 BEAERO Cc1cccc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000096639749 360351026 /nfs/dbraw/zinc/35/10/26/360351026.db2.gz ACDOBDFSSQHZOY-UHFFFAOYSA-N 1 0 245.370 2.358 10 0 BEAERO CCO[C@H]1C[C@@H]([NH2+]C2COC2)C12CCCCC2 ZINC000094710079 360316408 /nfs/dbraw/zinc/31/64/08/360316408.db2.gz MQPRFZHQCYLRCW-OLZOCXBDSA-N 1 0 239.359 2.103 10 0 BEAERO C/C(=C\COCc1ccccc1)[C@H](C)[NH3+] ZINC000306522245 360362015 /nfs/dbraw/zinc/36/20/15/360362015.db2.gz PKVSZUSMZSBJKL-OBIHZWKSSA-N 1 0 205.301 2.497 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc(Cl)o2)C1 ZINC000309426250 491149059 /nfs/dbraw/zinc/14/90/59/491149059.db2.gz FHRHNPWWNVNHDG-GXSJLCMTSA-N 1 0 242.750 2.363 10 0 BEAERO C[C@@H]1CSCC[N@@H+]1CC(=O)C(C)(C)C ZINC000069761240 360408786 /nfs/dbraw/zinc/40/87/86/360408786.db2.gz IFJLGWZPCMRIIL-SECBINFHSA-N 1 0 215.362 2.039 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Br)nc1 ZINC000306551424 360424744 /nfs/dbraw/zinc/42/47/44/360424744.db2.gz AJIOOVNHBRHWHD-IONNQARKSA-N 1 0 241.132 2.342 10 0 BEAERO C[C@H]1CC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306558352 360432128 /nfs/dbraw/zinc/43/21/28/360432128.db2.gz OQCVKDFLHBUWIR-JQWIXIFHSA-N 1 0 217.316 2.099 10 0 BEAERO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccnc(Cl)n1 ZINC000306558715 360433304 /nfs/dbraw/zinc/43/33/04/360433304.db2.gz PPHMVVVDNYLLFZ-DTWKUNHWSA-N 1 0 225.723 2.360 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000306581687 360479200 /nfs/dbraw/zinc/47/92/00/360479200.db2.gz ZYRBEXCTHKQSGW-XHNCKOQMSA-N 1 0 217.403 2.364 10 0 BEAERO CCn1cc[nH+]c1N[C@H]1CSC[C@@H]1C ZINC000306582246 360481082 /nfs/dbraw/zinc/48/10/82/360481082.db2.gz PAQOJZBHWIGBSW-IUCAKERBSA-N 1 0 211.334 2.066 10 0 BEAERO [NH3+][C@H](C[C@@H]1CCOC1)c1sccc1F ZINC000306586401 360484915 /nfs/dbraw/zinc/48/49/15/360484915.db2.gz RIFZWSMFKXXUSQ-IONNQARKSA-N 1 0 215.293 2.314 10 0 BEAERO CC[C@]1(C)C[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306576593 360466129 /nfs/dbraw/zinc/46/61/29/360466129.db2.gz KNCGTKTWHVAJGY-GXTWGEPZSA-N 1 0 231.343 2.489 10 0 BEAERO CC(C)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000144415800 360527533 /nfs/dbraw/zinc/52/75/33/360527533.db2.gz NGGWCKWDZDSHTC-UHFFFAOYSA-N 1 0 217.312 2.214 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1occc1Br ZINC000300783134 360502639 /nfs/dbraw/zinc/50/26/39/360502639.db2.gz VSBLRHNQQWOQKM-POYBYMJQSA-N 1 0 230.105 2.493 10 0 BEAERO O=C(C[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000300799189 360503990 /nfs/dbraw/zinc/50/39/90/360503990.db2.gz AFSNBGHHMXYAIC-IUCAKERBSA-N 1 0 217.259 2.133 10 0 BEAERO [NH3+][C@@H](C[C@@H]1CCCCO1)c1ccns1 ZINC000306592127 360509903 /nfs/dbraw/zinc/50/99/03/360509903.db2.gz WBXCFXLXNIPESB-IUCAKERBSA-N 1 0 212.318 2.102 10 0 BEAERO C[C@@H]1CC[C@](F)(c2ccns2)C[NH2+]1 ZINC000306597770 360519478 /nfs/dbraw/zinc/51/94/78/360519478.db2.gz ZVDIBQYJFKGFTN-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO CCc1csc(N[C@H]2C[N@H+](CC)C[C@H]2C)n1 ZINC000309463589 491149719 /nfs/dbraw/zinc/14/97/19/491149719.db2.gz OQEOTKCTUINMJL-KOLCDFICSA-N 1 0 239.388 2.458 10 0 BEAERO CC1CCC(C[NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631197343 360711143 /nfs/dbraw/zinc/71/11/43/360711143.db2.gz HFEOZIKBZBTDLK-BPNZPQAUSA-N 1 0 211.349 2.173 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CS1 ZINC000309608636 491152290 /nfs/dbraw/zinc/15/22/90/491152290.db2.gz LZWMGHSKVKNDSL-RVMXOQNASA-N 1 0 243.416 2.410 10 0 BEAERO C[C@@H]1C[NH+](CC(=O)C(C)(C)C)C[C@@H](C)S1 ZINC000069908914 361015154 /nfs/dbraw/zinc/01/51/54/361015154.db2.gz RXYIVVOBVSBOAW-NXEZZACHSA-N 1 0 229.389 2.427 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(C)ccn2)C1 ZINC000309668616 491154263 /nfs/dbraw/zinc/15/42/63/491154263.db2.gz VEPFCSGTWUEDRY-NEPJUHHUSA-N 1 0 219.332 2.142 10 0 BEAERO [NH3+]C[C@@H](c1sccc1Cl)N1CCCC1 ZINC000306613250 361081036 /nfs/dbraw/zinc/08/10/36/361081036.db2.gz KLEFGPSFXZNDRH-VIFPVBQESA-N 1 0 230.764 2.497 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1cc(Cl)cnc1N ZINC000069943511 361174509 /nfs/dbraw/zinc/17/45/09/361174509.db2.gz XYYHNNVXWTZYKB-SECBINFHSA-N 1 0 213.712 2.363 10 0 BEAERO Nc1cc[nH+]cc1CC(=O)c1cccs1 ZINC000069941361 361163401 /nfs/dbraw/zinc/16/34/01/361163401.db2.gz CQQJLQRKZBFDGR-UHFFFAOYSA-N 1 0 218.281 2.151 10 0 BEAERO [NH3+]C1(C(=O)NCCC2=CCCCC2)CCCC1 ZINC000037616144 181326129 /nfs/dbraw/zinc/32/61/29/181326129.db2.gz RFWCQEIFDAYOQU-UHFFFAOYSA-N 1 0 236.359 2.265 10 0 BEAERO Cc1csc(C2([NH3+])CCSCC2)n1 ZINC000041059814 361222476 /nfs/dbraw/zinc/22/24/76/361222476.db2.gz ILNSKLSIMZOHTH-UHFFFAOYSA-N 1 0 214.359 2.133 10 0 BEAERO [NH3+]C1(C(=O)OC2CCC2)CCCCCC1 ZINC000050928890 181329546 /nfs/dbraw/zinc/32/95/46/181329546.db2.gz OCZILEYBSWBTPR-UHFFFAOYSA-N 1 0 211.305 2.134 10 0 BEAERO [NH3+]C1(C(=O)OCc2cccs2)CCCC1 ZINC000049584772 181331102 /nfs/dbraw/zinc/33/11/02/181331102.db2.gz BGMCHOZWISQQNL-UHFFFAOYSA-N 1 0 225.313 2.063 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@H]2CCF)[nH]n1 ZINC000309846670 491157042 /nfs/dbraw/zinc/15/70/42/491157042.db2.gz GVJVWNCTOPDELO-JQWIXIFHSA-N 1 0 225.311 2.336 10 0 BEAERO [NH3+]C1(C(=O)c2ccc(Cl)cc2)CCC1 ZINC000091297602 181331239 /nfs/dbraw/zinc/33/12/39/181331239.db2.gz HQKYRYNIZNVYEB-UHFFFAOYSA-N 1 0 209.676 2.404 10 0 BEAERO CC[C@H](C)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000181120893 366784801 /nfs/dbraw/zinc/78/48/01/366784801.db2.gz PHAVYXKNFSOAQN-JTQLQIEISA-N 1 0 207.321 2.388 10 0 BEAERO [NH3+]C1(c2nc3cc(F)ccc3o2)CCC1 ZINC000082931814 181334791 /nfs/dbraw/zinc/33/47/91/181334791.db2.gz FYRBHSAHHOKUEX-UHFFFAOYSA-N 1 0 206.220 2.305 10 0 BEAERO [NH3+]C1(c2noc(CC3CC3)n2)CCCCC1 ZINC000049732468 181336884 /nfs/dbraw/zinc/33/68/84/181336884.db2.gz BCXZOJLNRNRFLW-UHFFFAOYSA-N 1 0 221.304 2.140 10 0 BEAERO CCC(CC)[NH2+]Cc1cnc2ccnn2c1 ZINC000381570740 361488332 /nfs/dbraw/zinc/48/83/32/361488332.db2.gz WZSWTRYDCITGFO-UHFFFAOYSA-N 1 0 218.304 2.008 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC000070573302 361567518 /nfs/dbraw/zinc/56/75/18/361567518.db2.gz RLIAWTOGZWDQPF-QWHCGFSZSA-N 1 0 233.311 2.247 10 0 BEAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2CO)cs1 ZINC000152323083 201196077 /nfs/dbraw/zinc/19/60/77/201196077.db2.gz ZIXNKIKPAWVXBH-CMPLNLGQSA-N 1 0 240.372 2.092 10 0 BEAERO COC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000036891731 361578411 /nfs/dbraw/zinc/57/84/11/361578411.db2.gz YIWPFTXECYTINZ-QMMMGPOBSA-N 1 0 243.253 2.179 10 0 BEAERO C[C@H]1C[C@]1([NH3+])c1ccncc1Br ZINC000306637882 361584920 /nfs/dbraw/zinc/58/49/20/361584920.db2.gz MPNVPPYKUXDUTH-IMTBSYHQSA-N 1 0 227.105 2.038 10 0 BEAERO C[C@H]1C[C@@]1([NH3+])c1ccncc1Br ZINC000306637884 361585670 /nfs/dbraw/zinc/58/56/70/361585670.db2.gz MPNVPPYKUXDUTH-RCOVLWMOSA-N 1 0 227.105 2.038 10 0 BEAERO [NH3+]C1CCC(n2nccc2Br)CC1 ZINC000096985860 181342169 /nfs/dbraw/zinc/34/21/69/181342169.db2.gz ZRIQPJBELIHNKY-UHFFFAOYSA-N 1 0 244.136 2.088 10 0 BEAERO [NH3+]C1CCC(Oc2nc3ccccc3o2)CC1 ZINC000055143444 181342370 /nfs/dbraw/zinc/34/23/70/181342370.db2.gz BDRZEVUXJOCPOD-UHFFFAOYSA-N 1 0 232.283 2.477 10 0 BEAERO Cc1ccc([C@H]2OCCC[C@@H]2C[NH3+])s1 ZINC000070627341 361680923 /nfs/dbraw/zinc/68/09/23/361680923.db2.gz FXOLENPHVMMRHK-KOLCDFICSA-N 1 0 211.330 2.483 10 0 BEAERO CCc1ccc([C@@H]2OCC[C@@H]2C[NH3+])s1 ZINC000070627230 361681009 /nfs/dbraw/zinc/68/10/09/361681009.db2.gz JUINODXZCFSOSX-LDYMZIIASA-N 1 0 211.330 2.347 10 0 BEAERO Cc1nn([C@H]2CCC[NH2+]CC2)cc1Cl ZINC000070630574 361682862 /nfs/dbraw/zinc/68/28/62/361682862.db2.gz AYUNDOTZJDMOMC-VIFPVBQESA-N 1 0 213.712 2.160 10 0 BEAERO [NH3+]C1CCC(Oc2nncc3ccccc32)CC1 ZINC000055143579 181342812 /nfs/dbraw/zinc/34/28/12/181342812.db2.gz RCACRXRLXZIJHE-UHFFFAOYSA-N 1 0 243.310 2.279 10 0 BEAERO [NH3+]C1CCN(c2nsc3ccccc32)CC1 ZINC000095072389 181344541 /nfs/dbraw/zinc/34/45/41/181344541.db2.gz BGKKCAQWVGWLAT-UHFFFAOYSA-N 1 0 233.340 2.224 10 0 BEAERO C[N@H+](C[C@@H]1CC(C)(C)CCC1=O)C1CC1 ZINC000070655063 361697390 /nfs/dbraw/zinc/69/73/90/361697390.db2.gz LAMPMADOSRNRAE-JTQLQIEISA-N 1 0 209.333 2.476 10 0 BEAERO C[N@H+](C[C@H]1CC(C)(C)CCC1=O)C1CC1 ZINC000070655064 361697661 /nfs/dbraw/zinc/69/76/61/361697661.db2.gz LAMPMADOSRNRAE-SNVBAGLBSA-N 1 0 209.333 2.476 10 0 BEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1F ZINC000054628663 181345092 /nfs/dbraw/zinc/34/50/92/181345092.db2.gz FFRGDMLNWZQUST-PBINXNQUSA-N 1 0 238.281 2.423 10 0 BEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccccc1 ZINC000054626601 181345303 /nfs/dbraw/zinc/34/53/03/181345303.db2.gz SIWFBPYLJRSYLR-VGPLMAKISA-N 1 0 202.301 2.145 10 0 BEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC000040749558 181345401 /nfs/dbraw/zinc/34/54/01/181345401.db2.gz RQIBHQYZJXRZCG-YHWZYXNKSA-N 1 0 236.359 2.047 10 0 BEAERO Cc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cn1 ZINC000155790701 201354054 /nfs/dbraw/zinc/35/40/54/201354054.db2.gz MSKRKHMPQAQIQC-OAHLLOKOSA-N 1 0 249.402 2.456 10 0 BEAERO [NH3+]C1Cc2cc(Cl)c(Cl)cc2C1 ZINC000211948133 181346388 /nfs/dbraw/zinc/34/63/88/181346388.db2.gz AGIBXHHXWIYYKF-UHFFFAOYSA-N 1 0 202.084 2.419 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cn1 ZINC000156011101 201381470 /nfs/dbraw/zinc/38/14/70/201381470.db2.gz KYUGZYYKLVFHBF-ZIAGYGMSSA-N 1 0 234.343 2.031 10 0 BEAERO CO[C@H]1CN(CCCC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630366434 364086246 /nfs/dbraw/zinc/08/62/46/364086246.db2.gz KLHDANVAOUYKBX-ZIAGYGMSSA-N 1 0 240.391 2.005 10 0 BEAERO COC1(OC)CCC(C)(C)C[C@@H]1CC[NH3+] ZINC000725262091 541335236 /nfs/dbraw/zinc/33/52/36/541335236.db2.gz VFIFMRQJNMKGJS-JTQLQIEISA-N 1 0 215.337 2.151 10 0 BEAERO CCC[C@H](C)C(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725264595 541337561 /nfs/dbraw/zinc/33/75/61/541337561.db2.gz XQANPNOAEVXKPY-OBJOEFQTSA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@H](C)C[NH2+]CCN1C[C@@H]2CCC[C@H]2C1 ZINC000725271571 541339525 /nfs/dbraw/zinc/33/95/25/541339525.db2.gz HTNBNWPJAAOCNT-IHRRRGAJSA-N 1 0 224.392 2.354 10 0 BEAERO CC[C@@H](C)C[NH2+]CCN1C[C@@H]2CCC[C@@H]2C1 ZINC000725271573 541339613 /nfs/dbraw/zinc/33/96/13/541339613.db2.gz HTNBNWPJAAOCNT-MCIONIFRSA-N 1 0 224.392 2.354 10 0 BEAERO CC(C)c1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)ncn1 ZINC000630532779 364222135 /nfs/dbraw/zinc/22/21/35/364222135.db2.gz KSYCONKBNXJKQC-WDEREUQCSA-N 1 0 234.347 2.152 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncnc2sccc21 ZINC000630529062 364216145 /nfs/dbraw/zinc/21/61/45/364216145.db2.gz PZAWMSRRIYDCMM-VHSXEESVSA-N 1 0 248.355 2.244 10 0 BEAERO [NH3+]CC1(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000077337667 181358768 /nfs/dbraw/zinc/35/87/68/181358768.db2.gz CEWNZOQKRUYOQT-UHFFFAOYSA-N 1 0 224.691 2.017 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nccc2ccccc21 ZINC000630542745 364239030 /nfs/dbraw/zinc/23/90/30/364239030.db2.gz DLRVHKVLGACBCC-GXFFZTMASA-N 1 0 227.311 2.397 10 0 BEAERO NCC1([N@@H+]2CCCSCC2)CCCCCC1 ZINC000042443586 181360634 /nfs/dbraw/zinc/36/06/34/181360634.db2.gz KOEOLMMFVNTOPA-UHFFFAOYSA-N 1 0 242.432 2.477 10 0 BEAERO CCc1nc(C)cc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630549022 364242346 /nfs/dbraw/zinc/24/23/46/364242346.db2.gz HBKGCLHPODMTQZ-LBPRGKRZSA-N 1 0 248.374 2.055 10 0 BEAERO CCc1csc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630549983 364243617 /nfs/dbraw/zinc/24/36/17/364243617.db2.gz RNNHYEIBNTUFQX-JTQLQIEISA-N 1 0 239.388 2.413 10 0 BEAERO CCCc1nccnc1N1CCCCC[C@H]([NH3+])C1 ZINC000630550922 364245265 /nfs/dbraw/zinc/24/52/65/364245265.db2.gz ZKKQAENGPGSSPB-LBPRGKRZSA-N 1 0 248.374 2.137 10 0 BEAERO C[C@@H]1CN(c2nccc3ccccc32)C[C@H]1C[NH3+] ZINC000630554557 364250240 /nfs/dbraw/zinc/25/02/40/364250240.db2.gz QJERJEYWHMVQFK-DGCLKSJQSA-N 1 0 241.338 2.266 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ccc(Cl)cn2)C[NH2+]1 ZINC000630534207 364226560 /nfs/dbraw/zinc/22/65/60/364226560.db2.gz JABYMVZTFUSWDR-SCZZXKLOSA-N 1 0 225.723 2.287 10 0 BEAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000037622746 364339154 /nfs/dbraw/zinc/33/91/54/364339154.db2.gz ZDVMWXZQCAKDQN-LMWSTFAQSA-N 1 0 246.354 2.381 10 0 BEAERO Cc1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037623261 364339198 /nfs/dbraw/zinc/33/91/98/364339198.db2.gz FTHQKUMTXXZPJY-UHFFFAOYSA-N 1 0 232.327 2.451 10 0 BEAERO Cc1ccc(CNC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037623228 364339335 /nfs/dbraw/zinc/33/93/35/364339335.db2.gz WSXQNJWAIMLDCD-UHFFFAOYSA-N 1 0 246.354 2.129 10 0 BEAERO C[C@@H](CCCO)[NH2+]C[C@@]1(C)CCCS1 ZINC000134581264 541357718 /nfs/dbraw/zinc/35/77/18/541357718.db2.gz YRZHAVGYAKVFCP-WDEREUQCSA-N 1 0 217.378 2.023 10 0 BEAERO [NH3+]CC1=CCOc2ccc(Br)cc21 ZINC000071485567 181363414 /nfs/dbraw/zinc/36/34/14/181363414.db2.gz UUHPKMUAHNIGLL-UHFFFAOYSA-N 1 0 240.100 2.184 10 0 BEAERO C[C@@H]1CCCN(C/C(Cl)=C\Cl)[C@H]1C[NH3+] ZINC000252644718 364724086 /nfs/dbraw/zinc/72/40/86/364724086.db2.gz PDHPLQNXZLBOBN-FEACWQMQSA-N 1 0 237.174 2.365 10 0 BEAERO [NH3+]CCCC(=O)Nc1cc(Cl)ccc1F ZINC000035284651 181372614 /nfs/dbraw/zinc/37/26/14/181372614.db2.gz JTLSGBUSZIFQHV-UHFFFAOYSA-N 1 0 230.670 2.157 10 0 BEAERO [NH3+]CCCCCCC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000123060880 181373928 /nfs/dbraw/zinc/37/39/28/181373928.db2.gz KPMNULQMWZDORC-CHWSQXEVSA-N 1 0 238.375 2.154 10 0 BEAERO [NH3+]CCCCCCC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000123060659 181373413 /nfs/dbraw/zinc/37/34/13/181373413.db2.gz KPMNULQMWZDORC-STQMWFEESA-N 1 0 238.375 2.154 10 0 BEAERO [NH3+]CCCCCOCc1ccc2c(c1)OCO2 ZINC000049582197 181374809 /nfs/dbraw/zinc/37/48/09/181374809.db2.gz IOAFTWABKCYLJD-UHFFFAOYSA-N 1 0 237.299 2.061 10 0 BEAERO [NH3+]CCCCCOc1cc(F)cc(F)c1 ZINC000054932534 181375152 /nfs/dbraw/zinc/37/51/52/181375152.db2.gz IUPHRHPTVSVIFJ-UHFFFAOYSA-N 1 0 215.243 2.473 10 0 BEAERO [NH3+]CCCCOc1c(F)cccc1F ZINC000075880540 181377714 /nfs/dbraw/zinc/37/77/14/181377714.db2.gz ANTWCZOCZJNTCZ-UHFFFAOYSA-N 1 0 201.216 2.083 10 0 BEAERO [NH3+]CCCN(C(=O)c1ccco1)c1ccccc1 ZINC000020232294 181379361 /nfs/dbraw/zinc/37/93/61/181379361.db2.gz LOBDEQSLKLEJBV-UHFFFAOYSA-N 1 0 244.294 2.275 10 0 BEAERO [NH3+]CCCN(C[C@H]1CCCO1)c1ccccc1 ZINC000037114718 181380135 /nfs/dbraw/zinc/38/01/35/181380135.db2.gz IKOAJFGHBTVYNE-CQSZACIVSA-N 1 0 234.343 2.021 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000252548977 541450456 /nfs/dbraw/zinc/45/04/56/541450456.db2.gz NFINELIEMYHCAE-ADEWGFFLSA-N 1 0 202.301 2.457 10 0 BEAERO [NH3+]CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061328165 181383106 /nfs/dbraw/zinc/38/31/06/181383106.db2.gz NYBHLCIENHYMCQ-SNVBAGLBSA-N 1 0 210.346 2.064 10 0 BEAERO [NH3+]CCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000037713152 181383273 /nfs/dbraw/zinc/38/32/73/181383273.db2.gz KJEAFQXHLCBUSW-CQSZACIVSA-N 1 0 218.344 2.393 10 0 BEAERO [NH3+]CCCNCc1ccc(Cl)cc1Cl ZINC000037713130 181383551 /nfs/dbraw/zinc/38/35/51/181383551.db2.gz QCIWOOPQMPNQFY-UHFFFAOYSA-N 1 0 233.142 2.432 10 0 BEAERO Nc1ccc(SCCC[NH3+])c(Cl)c1 ZINC000048686947 181384985 /nfs/dbraw/zinc/38/49/85/181384985.db2.gz AIWMWQIYIMTVEU-UHFFFAOYSA-N 1 0 216.737 2.363 10 0 BEAERO [NH3+]CCCOc1nccc2sccc21 ZINC000051870438 181384989 /nfs/dbraw/zinc/38/49/89/181384989.db2.gz FBSQTZGYIRLBRH-UHFFFAOYSA-N 1 0 208.286 2.024 10 0 BEAERO [NH3+]CCCOc1nc2ccccc2s1 ZINC000051870641 181385078 /nfs/dbraw/zinc/38/50/78/181385078.db2.gz POKGPLVICILPOD-UHFFFAOYSA-N 1 0 208.286 2.024 10 0 BEAERO [NH3+]CCCc1nc2c(cccc2F)s1 ZINC000031895241 181387303 /nfs/dbraw/zinc/38/73/03/181387303.db2.gz JTVIBHFWGVMJQO-UHFFFAOYSA-N 1 0 210.277 2.327 10 0 BEAERO [NH3+]CCCn1c(C2CCCC2)nc2cccnc21 ZINC000049454763 181389296 /nfs/dbraw/zinc/38/92/96/181389296.db2.gz UNJFOPDZKJSZDP-UHFFFAOYSA-N 1 0 244.342 2.438 10 0 BEAERO [NH3+]CCN(C(=O)C1CCCC1)C1CCCCC1 ZINC000084536758 181390599 /nfs/dbraw/zinc/39/05/99/181390599.db2.gz JIAATAQGULKZST-UHFFFAOYSA-N 1 0 238.375 2.297 10 0 BEAERO [NH3+]CCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000037712369 181397355 /nfs/dbraw/zinc/39/73/55/181397355.db2.gz MTTLLLIDWCKYQR-OAHLLOKOSA-N 1 0 244.313 2.463 10 0 BEAERO [NH3+]CC[C@@H](O)c1ccccc1C(F)(F)F ZINC000083557704 181403596 /nfs/dbraw/zinc/40/35/96/181403596.db2.gz NACIGKCJLIVJFF-SECBINFHSA-N 1 0 219.206 2.088 10 0 BEAERO [NH3+]CC[C@@H]1CNc2ccc(Br)cc21 ZINC000071483687 181406735 /nfs/dbraw/zinc/40/67/35/181406735.db2.gz CQZGZKNTGNXVSR-SSDOTTSWSA-N 1 0 241.132 2.307 10 0 BEAERO [NH3+]CC[C@H](O)c1cc2cc(Cl)ccc2o1 ZINC000083048790 181407552 /nfs/dbraw/zinc/40/75/52/181407552.db2.gz ABYTYWBOTKIUCF-VIFPVBQESA-N 1 0 225.675 2.468 10 0 BEAERO [NH3+]CCc1ccnc(-c2cccc(Cl)c2)n1 ZINC000054833676 181412513 /nfs/dbraw/zinc/41/25/13/181412513.db2.gz CLLZKEXDYZLJSO-UHFFFAOYSA-N 1 0 233.702 2.298 10 0 BEAERO [NH3+]CCc1cccn1CCc1cccs1 ZINC000071522695 181412782 /nfs/dbraw/zinc/41/27/82/181412782.db2.gz JYDBXYHYQATYKV-UHFFFAOYSA-N 1 0 220.341 2.294 10 0 BEAERO CC(C)(O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000171438864 365200250 /nfs/dbraw/zinc/20/02/50/365200250.db2.gz PWWWDKJUAVFTFS-UHFFFAOYSA-N 1 0 247.338 2.252 10 0 BEAERO C[C@@H]([NH3+])[C@H]1COc2c(F)cc(Cl)cc2C1 ZINC000675063310 541464642 /nfs/dbraw/zinc/46/46/42/541464642.db2.gz CBGFJSIKHQFCAJ-HTRCEHHLSA-N 1 0 229.682 2.377 10 0 BEAERO C[C@@H]([NH3+])[C@H]1COc2ccc(Cl)cc2C1 ZINC000675063798 541465123 /nfs/dbraw/zinc/46/51/23/541465123.db2.gz PACYWYCIUTWDAK-VXNVDRBHSA-N 1 0 211.692 2.238 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C2CC2)n1C ZINC000183061919 366972258 /nfs/dbraw/zinc/97/22/58/366972258.db2.gz SHYNYFMHLUBDKX-VHSXEESVSA-N 1 0 236.363 2.217 10 0 BEAERO CC1(C)CC[C@@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000367710323 367089033 /nfs/dbraw/zinc/08/90/33/367089033.db2.gz WOQAKQILHIWBFF-KKOKHZNYSA-N 1 0 209.333 2.047 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC000381315551 367379927 /nfs/dbraw/zinc/37/99/27/367379927.db2.gz UZRCNCQHYQJITL-LBPRGKRZSA-N 1 0 224.373 2.240 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000382059019 367482400 /nfs/dbraw/zinc/48/24/00/367482400.db2.gz GHBJUHQXECISAV-OUAUKWLOSA-N 1 0 235.318 2.418 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncnc3sccc32)C1 ZINC000382457364 367526580 /nfs/dbraw/zinc/52/65/80/367526580.db2.gz RTMUUONIFDXHGU-IUCAKERBSA-N 1 0 248.355 2.231 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2nccc3occc32)C1 ZINC000382477432 367529772 /nfs/dbraw/zinc/52/97/72/367529772.db2.gz UJPHRAJKYKTKDE-VHSXEESVSA-N 1 0 231.299 2.367 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1CC ZINC000384038349 367669189 /nfs/dbraw/zinc/66/91/89/367669189.db2.gz UFPGAECEDPEJSX-MJBXVCDLSA-N 1 0 243.391 2.284 10 0 BEAERO [NH3+]C[C@@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095072514 181429481 /nfs/dbraw/zinc/42/94/81/181429481.db2.gz NFZURJWTCRVWPS-JTQLQIEISA-N 1 0 247.367 2.471 10 0 BEAERO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000385191224 367806180 /nfs/dbraw/zinc/80/61/80/367806180.db2.gz NCRFJRRYXGPLLX-FDYHWXHSSA-N 1 0 211.349 2.314 10 0 BEAERO CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000375558858 370876860 /nfs/dbraw/zinc/87/68/60/370876860.db2.gz UCVMYTIUXVZALM-UHFFFAOYSA-N 1 0 219.328 2.378 10 0 BEAERO CCC[C@@H]1C[C@@H]1N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386173634 367924208 /nfs/dbraw/zinc/92/42/08/367924208.db2.gz WUQZWJZLGABMMU-LPWJVIDDSA-N 1 0 210.365 2.295 10 0 BEAERO Cc1cnc(N[C@H](C[NH3+])C2CCCC2)nc1C ZINC000386615592 368001730 /nfs/dbraw/zinc/00/17/30/368001730.db2.gz CLPYHHAUWAKVSZ-GFCCVEGCSA-N 1 0 234.347 2.023 10 0 BEAERO Cc1cnc(NC[C@H]([NH3+])c2ccccc2)nc1C ZINC000386639624 368005273 /nfs/dbraw/zinc/00/52/73/368005273.db2.gz IHTBAMVLYHEZJP-ZDUSSCGKSA-N 1 0 242.326 2.205 10 0 BEAERO C[C@@H]1[C@H]([NH3+])C[C@H]1c1ccc(Br)o1 ZINC000252847057 368163613 /nfs/dbraw/zinc/16/36/13/368163613.db2.gz HEEKRKRYVBKTMK-RRKCRQDMSA-N 1 0 230.105 2.493 10 0 BEAERO C[C@H](CN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC000399551596 368178644 /nfs/dbraw/zinc/17/86/44/368178644.db2.gz AAYLCTUNKANFJN-IJLUTSLNSA-N 1 0 240.391 2.254 10 0 BEAERO Fc1cccc2c1CC[C@@]21[NH2+]CCS1 ZINC000215055990 368144586 /nfs/dbraw/zinc/14/45/86/368144586.db2.gz ZXOQQIFXAXTIAX-NSHDSACASA-N 1 0 209.289 2.261 10 0 BEAERO CC(=O)Nc1cccc(C(=O)[C@@H](C)[NH2+]C(C)C)c1 ZINC000033638439 368320633 /nfs/dbraw/zinc/32/06/33/368320633.db2.gz CIYUJYPWSOZEMA-SNVBAGLBSA-N 1 0 248.326 2.214 10 0 BEAERO CC(C)COC[C@H](O)C[NH2+]CC1(C)CCCC1 ZINC000104438775 368298859 /nfs/dbraw/zinc/29/88/59/368298859.db2.gz JGBBGRZTAFBCOD-CYBMUJFWSA-N 1 0 243.391 2.190 10 0 BEAERO Cc1cc(C2CC[NH2+]CC2)n(C(C)(C)C)n1 ZINC000035803676 368323592 /nfs/dbraw/zinc/32/35/92/368323592.db2.gz IFRZVQGNTASXKO-UHFFFAOYSA-N 1 0 221.348 2.414 10 0 BEAERO O=[N+]([O-])c1ccccc1C[C@H]1CCC[NH2+]C1 ZINC000095826756 368337944 /nfs/dbraw/zinc/33/79/44/368337944.db2.gz ZFMLILNNGWOORS-SNVBAGLBSA-N 1 0 220.272 2.137 10 0 BEAERO CC[NH2+][C@H]1CCc2ccc3c(c21)CCO3 ZINC000114638477 368341607 /nfs/dbraw/zinc/34/16/07/368341607.db2.gz KOTMXKCFVRQXCL-NSHDSACASA-N 1 0 203.285 2.218 10 0 BEAERO CCOc1cccc(N2CC[NH2+]CC2)c1Cl ZINC000165169902 368352665 /nfs/dbraw/zinc/35/26/65/368352665.db2.gz FEOQTTMZIFCPCX-UHFFFAOYSA-N 1 0 240.734 2.148 10 0 BEAERO c1cncc(-c2ccnc3c2C[NH2+]CCCO3)c1 ZINC000224757554 368366344 /nfs/dbraw/zinc/36/63/44/368366344.db2.gz LKJFTOBDZBQQNB-UHFFFAOYSA-N 1 0 241.294 2.016 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](COc2cccc(Cl)c2)O1 ZINC000052674457 181435818 /nfs/dbraw/zinc/43/58/18/181435818.db2.gz LIIUAQQNOJTBRD-RYUDHWBXSA-N 1 0 241.718 2.225 10 0 BEAERO C[C@H]1C[C@H](C(=O)CC2C[NH2+]C2)C[C@@H](C)C1 ZINC000253158654 368568838 /nfs/dbraw/zinc/56/88/38/368568838.db2.gz HWGVRVAUZNHFKH-IAZYJMLFSA-N 1 0 209.333 2.237 10 0 BEAERO C[C@H]([C@H]1COc2ccccc2O1)[NH+]1CCCC1 ZINC000001843854 368707952 /nfs/dbraw/zinc/70/79/52/368707952.db2.gz KAXULGXUSBBIMN-BXUZGUMPSA-N 1 0 233.311 2.311 10 0 BEAERO CC(C)(C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000117563680 370933394 /nfs/dbraw/zinc/93/33/94/370933394.db2.gz WRPHTSFGKUGZBG-UHFFFAOYSA-N 1 0 218.256 2.290 10 0 BEAERO CC[NH2+]CCCNc1nc(C(C)C)ns1 ZINC000083670066 368801747 /nfs/dbraw/zinc/80/17/47/368801747.db2.gz VBVWBAOIKOGNIR-UHFFFAOYSA-N 1 0 228.365 2.073 10 0 BEAERO C[NH+]1CCC(N2CCCc3cc(N)ccc32)CC1 ZINC000084828368 368858841 /nfs/dbraw/zinc/85/88/41/368858841.db2.gz CHJOVBOVRDCCEX-UHFFFAOYSA-N 1 0 245.370 2.116 10 0 BEAERO C[NH+](C)[C@H]1Cc2c[nH]c3cccc(c23)C1 ZINC000003647626 368878946 /nfs/dbraw/zinc/87/89/46/368878946.db2.gz BQOANWOQEHVATQ-LLVKDONJSA-N 1 0 200.285 2.197 10 0 in-vitro BEAERO CCC[C@@H](C)N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122409 368888894 /nfs/dbraw/zinc/88/88/94/368888894.db2.gz HQJIKAGRTWZFNF-IJLUTSLNSA-N 1 0 226.364 2.022 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCc1csc(C)c1C ZINC000399943096 368936359 /nfs/dbraw/zinc/93/63/59/368936359.db2.gz VHPVHKSHNJVEIZ-NSHDSACASA-N 1 0 240.372 2.109 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCc1csc(C)c1C ZINC000399943094 368936374 /nfs/dbraw/zinc/93/63/74/368936374.db2.gz VHPVHKSHNJVEIZ-LLVKDONJSA-N 1 0 240.372 2.109 10 0 BEAERO CC(C)c1nnc(C[NH2+][C@H](C)C(C)(C)C)n1C ZINC000114475243 368942548 /nfs/dbraw/zinc/94/25/48/368942548.db2.gz FJCFDVRABDKGRG-SNVBAGLBSA-N 1 0 238.379 2.463 10 0 BEAERO C[NH2+]CCN(Cc1cccs1)c1ccccn1 ZINC000005996336 369031320 /nfs/dbraw/zinc/03/13/20/369031320.db2.gz MEVRBIXLXBAVEY-UHFFFAOYSA-N 1 0 247.367 2.369 10 0 BEAERO [NH3+]C[C@@H]1CCc2cc(Br)ccc2N1 ZINC000082306245 181436937 /nfs/dbraw/zinc/43/69/37/181436937.db2.gz PVOFLLGMOGCMOM-VIFPVBQESA-N 1 0 241.132 2.135 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccno1 ZINC000616584677 369097026 /nfs/dbraw/zinc/09/70/26/369097026.db2.gz LKMYINHQPTTZAH-ZDUSSCGKSA-N 1 0 214.268 2.252 10 0 BEAERO OCC[N@@H+]1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000616605382 369099793 /nfs/dbraw/zinc/09/97/93/369099793.db2.gz ZTTHNPXUHARCMM-ZDUSSCGKSA-N 1 0 237.318 2.388 10 0 BEAERO [NH3+]C[C@H]1CCNc2ccc(Br)cc21 ZINC000096988427 181466238 /nfs/dbraw/zinc/46/62/38/181466238.db2.gz VKZLOOZUWVUXRB-SSDOTTSWSA-N 1 0 241.132 2.307 10 0 BEAERO CCC[C@@H](C(=O)N(C)CC1CCCC1)[NH+](C)C ZINC000155154342 326186796 /nfs/dbraw/zinc/18/67/96/326186796.db2.gz BBUOYSJQBFZINI-ZDUSSCGKSA-N 1 0 240.391 2.365 10 0 BEAERO [NH3+]Cc1cc(Cl)ccc1-c1cnccn1 ZINC000085220360 181477589 /nfs/dbraw/zinc/47/75/89/181477589.db2.gz DIUPZKSBDWLYSM-UHFFFAOYSA-N 1 0 219.675 2.256 10 0 BEAERO C[C@H]1C[C@@](O)(c2cccs2)CC[N@@H+]1C ZINC000107151974 369310418 /nfs/dbraw/zinc/31/04/18/369310418.db2.gz XBHAEMOWEVBSCR-GXSJLCMTSA-N 1 0 211.330 2.050 10 0 BEAERO CCc1nnc(C[NH2+]C2(C3CCC3)CCC2)n1C ZINC000459753462 203356448 /nfs/dbraw/zinc/35/64/48/203356448.db2.gz CJNYKYGUYYJDSI-UHFFFAOYSA-N 1 0 248.374 2.190 10 0 BEAERO CC(C)NC(=O)CC[NH2+]C1(C2CCC2)CCC1 ZINC000459766984 203359924 /nfs/dbraw/zinc/35/99/24/203359924.db2.gz KIXOMVNAMSHRPZ-UHFFFAOYSA-N 1 0 238.375 2.214 10 0 BEAERO CCN(CC)C(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459767060 203361699 /nfs/dbraw/zinc/36/16/99/203361699.db2.gz KSHNFQJQMBGINH-UHFFFAOYSA-N 1 0 238.375 2.167 10 0 BEAERO [NH3+]Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049717300 181484316 /nfs/dbraw/zinc/48/43/16/181484316.db2.gz JCWJCLMMUNDVLX-WCQYABFASA-N 1 0 245.326 2.162 10 0 BEAERO [NH3+]Cc1ccc(Sc2nncs2)cc1 ZINC000035720224 181486571 /nfs/dbraw/zinc/48/65/71/181486571.db2.gz OSIHETLSNQOXFC-UHFFFAOYSA-N 1 0 223.326 2.148 10 0 BEAERO [NH3+]Cc1ccc([C@H](O)c2ccccc2)s1 ZINC000075468529 181486598 /nfs/dbraw/zinc/48/65/98/181486598.db2.gz AZXLOZAAYFBNOG-GFCCVEGCSA-N 1 0 219.309 2.289 10 0 BEAERO [NH3+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000082377468 181491717 /nfs/dbraw/zinc/49/17/17/181491717.db2.gz GYWJOOAIXLSUTB-UHFFFAOYSA-N 1 0 207.664 2.189 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621297451 370224672 /nfs/dbraw/zinc/22/46/72/370224672.db2.gz OIFGUZSVNSRWGX-LDYMZIIASA-N 1 0 226.707 2.002 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@H](C2([NH3+])CC2)C1 ZINC000215248592 370260373 /nfs/dbraw/zinc/26/03/73/370260373.db2.gz SMQPBHLLBRPKKH-JTQLQIEISA-N 1 0 240.347 2.125 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225338241 370364362 /nfs/dbraw/zinc/36/43/62/370364362.db2.gz RSOCTRXOCVAOKO-PHDIDXHHSA-N 1 0 202.710 2.295 10 0 BEAERO CCCCN(CC)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019505735 168794254 /nfs/dbraw/zinc/79/42/54/168794254.db2.gz YETBKFITDMWXSS-VXGBXAGGSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2CO)C1 ZINC000378679205 371013380 /nfs/dbraw/zinc/01/33/80/371013380.db2.gz TWTOOZBNXFLJLU-WUHRBBMRSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CC[C@@H]1c1nccs1 ZINC000161793011 371141743 /nfs/dbraw/zinc/14/17/43/371141743.db2.gz FEMBOCQOGZILNR-UWVGGRQHSA-N 1 0 210.346 2.492 10 0 BEAERO [NH3+][C@@H](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000037466803 181555620 /nfs/dbraw/zinc/55/56/20/181555620.db2.gz HYLBVWSPTAJHPZ-QWHCGFSZSA-N 1 0 223.291 2.265 10 0 BEAERO [NH3+][C@@H](Cc1nccs1)c1ccccc1 ZINC000036278947 181559825 /nfs/dbraw/zinc/55/98/25/181559825.db2.gz AJBGRGBJBVJWMD-JTQLQIEISA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000036946850 181560620 /nfs/dbraw/zinc/56/06/20/181560620.db2.gz NGEPUGJCPUESOJ-JTQLQIEISA-N 1 0 221.691 2.306 10 0 BEAERO [NH3+][C@@H](c1cccnc1)c1cc(F)ccc1F ZINC000019972349 181566311 /nfs/dbraw/zinc/56/63/11/181566311.db2.gz GCMSDRVCFXVSTR-LBPRGKRZSA-N 1 0 220.222 2.408 10 0 BEAERO [NH3+][C@@H]1CCN(c2ccc3ccccc3c2)C1 ZINC000033426900 181590176 /nfs/dbraw/zinc/59/01/76/181590176.db2.gz GFLBBQOKACMTPN-CYBMUJFWSA-N 1 0 212.296 2.377 10 0 BEAERO [NH3+][C@@H]1CCOC[C@H]1Cc1ccccc1Cl ZINC000082360264 181590287 /nfs/dbraw/zinc/59/02/87/181590287.db2.gz JZNPPWDTOXUAPA-ZYHUDNBSSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H](Cc1ccc[nH]1)Cc1ccccc1 ZINC000054685384 181626431 /nfs/dbraw/zinc/62/64/31/181626431.db2.gz PJZXOMKTGJSBIL-GFCCVEGCSA-N 1 0 200.285 2.127 10 0 BEAERO [NH3+][C@H](Cc1ccco1)c1ccc2c(c1)OCCO2 ZINC000011601676 181627332 /nfs/dbraw/zinc/62/73/32/181627332.db2.gz TURUQNHLQIGVGV-GFCCVEGCSA-N 1 0 245.278 2.293 10 0 BEAERO [NH3+][C@H]1CCc2c1cccc2OCCCCCO ZINC000062798490 181655072 /nfs/dbraw/zinc/65/50/72/181655072.db2.gz YTLIESCRWTXJAG-ZDUSSCGKSA-N 1 0 235.327 2.174 10 0 BEAERO [NH3+][C@@H](c1cc[nH]n1)c1ccc(Cl)cc1 ZINC000062775762 181630828 /nfs/dbraw/zinc/63/08/28/181630828.db2.gz RDQXNDFTUFTEIO-SNVBAGLBSA-N 1 0 207.664 2.111 10 0 BEAERO [NH3+][C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000011831952 181631494 /nfs/dbraw/zinc/63/14/94/181631494.db2.gz SKZCRSJSQDGAIE-LLVKDONJSA-N 1 0 219.675 2.178 10 0 BEAERO [NH3+][C@H](c1ccc2c(c1)CC(=O)N2)C1CCCC1 ZINC000019969589 181632625 /nfs/dbraw/zinc/63/26/25/181632625.db2.gz DYLNJHDTZCBOIN-AWEZNQCLSA-N 1 0 230.311 2.371 10 0 BEAERO [NH3+][C@H]1CC=CC[C@@H]1c1ccc2c(c1)OCO2 ZINC000001711673 181639229 /nfs/dbraw/zinc/63/92/29/181639229.db2.gz ZYDHIKVFSMROBY-MNOVXSKESA-N 1 0 217.268 2.176 10 0 BEAERO CCCCN(CCCC)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111263824 168805800 /nfs/dbraw/zinc/80/58/00/168805800.db2.gz ANAPVXMKJZMSDU-OLZOCXBDSA-N 1 0 240.391 2.271 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1Nc1cccc(C(F)(F)F)n1 ZINC000063176756 181648128 /nfs/dbraw/zinc/64/81/28/181648128.db2.gz UWRDMBFWFAZCHV-JGVFFNPUSA-N 1 0 245.248 2.392 10 0 BEAERO [NH3+][C@H]1CCOc2c(Cl)ccc(F)c21 ZINC000095638972 181653192 /nfs/dbraw/zinc/65/31/92/181653192.db2.gz REXMYOGKXMUMRV-ZETCQYMHSA-N 1 0 201.628 2.261 10 0 BEAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000624234955 371421410 /nfs/dbraw/zinc/42/14/10/371421410.db2.gz ADGFNRHGFIKZJZ-AEGPPILISA-N 1 0 249.354 2.104 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(C)cc1 ZINC000624235017 371421779 /nfs/dbraw/zinc/42/17/79/371421779.db2.gz BMZIGUBQVXZCTA-ZNMIVQPWSA-N 1 0 249.354 2.186 10 0 BEAERO Nc1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000105516806 181707386 /nfs/dbraw/zinc/70/73/86/181707386.db2.gz LKUNSGIKFHYROA-UHFFFAOYSA-N 1 0 202.257 2.152 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCSC1 ZINC000324607163 326418071 /nfs/dbraw/zinc/41/80/71/326418071.db2.gz KSRLTAINPXMONP-MNOVXSKESA-N 1 0 231.405 2.126 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cc1C ZINC000624235676 371422842 /nfs/dbraw/zinc/42/28/42/371422842.db2.gz NVBWQKQKXGCNNR-CFVMTHIKSA-N 1 0 249.354 2.104 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000624236067 371423372 /nfs/dbraw/zinc/42/33/72/371423372.db2.gz VYSCMFLZSCGSLD-TUKIKUTGSA-N 1 0 249.354 2.049 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624239195 371428502 /nfs/dbraw/zinc/42/85/02/371428502.db2.gz GACYTEMONHSDPC-RQJABVFESA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccc(C)c1 ZINC000624239152 371428816 /nfs/dbraw/zinc/42/88/16/371428816.db2.gz FLLJDSPUZPGFGL-KKUMJFAQSA-N 1 0 249.354 2.186 10 0 BEAERO Nc1c[nH+]ccc1NCCc1ccc(O)cc1 ZINC000003631039 181770084 /nfs/dbraw/zinc/77/00/84/181770084.db2.gz MGZGRFMSAOYFLF-UHFFFAOYSA-N 1 0 229.283 2.024 10 0 BEAERO Nc1ccccc1S[C@@H]1CCC[NH2+]C1 ZINC000043501733 181758467 /nfs/dbraw/zinc/75/84/67/181758467.db2.gz SZOOITRDLDSJAK-SECBINFHSA-N 1 0 208.330 2.113 10 0 BEAERO Nc1cc[nH+]c(N2CCc3ccccc32)c1 ZINC000043567912 181763029 /nfs/dbraw/zinc/76/30/29/181763029.db2.gz JXVJKGKEXLILRE-UHFFFAOYSA-N 1 0 211.268 2.358 10 0 BEAERO F[C@@H]([C@@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225685462 371565852 /nfs/dbraw/zinc/56/58/52/371565852.db2.gz GHFPVZVJSIAQII-WDSKDSINSA-N 1 0 246.070 2.454 10 0 BEAERO [NH3+][C@H]1CC[C@](F)(C(F)(F)Br)C1 ZINC000225684483 371566007 /nfs/dbraw/zinc/56/60/07/371566007.db2.gz YXSAMTKMEZELRE-CRCLSJGQSA-N 1 0 232.043 2.194 10 0 BEAERO CC[C@H]1C[NH+]=C(NC[C@@H]2CCCS2)S1 ZINC000230009677 371632937 /nfs/dbraw/zinc/63/29/37/371632937.db2.gz QHHAPCWDQSYKOY-IUCAKERBSA-N 1 0 230.402 2.353 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1Oc1nc(Cl)cs1 ZINC000131658748 371642166 /nfs/dbraw/zinc/64/21/66/371642166.db2.gz URKUKFJLTJFQRX-WDSKDSINSA-N 1 0 218.709 2.055 10 0 BEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)C1CCCCCC1 ZINC000226378990 371655640 /nfs/dbraw/zinc/65/56/40/371655640.db2.gz HXAYZRQVLDCBKL-CMPLNLGQSA-N 1 0 209.333 2.381 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)C1CCC(C)CC1 ZINC000226378630 371657131 /nfs/dbraw/zinc/65/71/31/371657131.db2.gz AOVRSHLGHLZNME-RUJICJSRSA-N 1 0 209.333 2.237 10 0 BEAERO [NH3+]Cc1cc(-c2ccc(Br)o2)on1 ZINC000131900121 371708483 /nfs/dbraw/zinc/70/84/83/371708483.db2.gz PTDKYQYQDUQACW-UHFFFAOYSA-N 1 0 243.060 2.156 10 0 BEAERO CC[C@](C)([NH3+])C(=O)c1ccc(F)cc1C ZINC000226665524 371720082 /nfs/dbraw/zinc/72/00/82/371720082.db2.gz XFEGEUQJZODQHA-LBPRGKRZSA-N 1 0 209.264 2.444 10 0 BEAERO Cc1cccc(C(=O)C2([NH3+])CCC2)c1C ZINC000226779180 371743060 /nfs/dbraw/zinc/74/30/60/371743060.db2.gz PBFRJUNAHDLPFF-UHFFFAOYSA-N 1 0 203.285 2.368 10 0 BEAERO Cc1cc(F)cc(C(=O)C(C)(C)C[NH3+])c1 ZINC000226788490 371744507 /nfs/dbraw/zinc/74/45/07/371744507.db2.gz BSONBWSVJRUCSS-UHFFFAOYSA-N 1 0 209.264 2.302 10 0 BEAERO C[C@H]([NH3+])c1csc(N2CC[C@@H](C)C2)n1 ZINC000226917479 371757691 /nfs/dbraw/zinc/75/76/91/371757691.db2.gz BGXWEWPXKDWAIS-SFYZADRCSA-N 1 0 211.334 2.009 10 0 BEAERO CCCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000132182535 371761025 /nfs/dbraw/zinc/76/10/25/371761025.db2.gz ZQVNRTLEIMXIII-CQSZACIVSA-N 1 0 248.370 2.076 10 0 BEAERO Cc1cccc(NC(N)=[NH2+])c1Br ZINC000132190081 371763622 /nfs/dbraw/zinc/76/36/22/371763622.db2.gz WCOVZNQLSJZYDT-UHFFFAOYSA-N 1 0 228.093 2.063 10 0 BEAERO Cc1cc([C@@H](O)[C@@H](C)C[NH3+])ccc1Cl ZINC000132218003 371768163 /nfs/dbraw/zinc/76/81/63/371768163.db2.gz UFZLLETUMTXLLX-KWQFWETISA-N 1 0 213.708 2.277 10 0 BEAERO O=C1CCC[C@@H]1[C@H]1CCCC[N@H+]1CCF ZINC000227321535 371831974 /nfs/dbraw/zinc/83/19/74/371831974.db2.gz KFPPBSBDMVQADF-GHMZBOCLSA-N 1 0 213.296 2.180 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@H]1OCc1ccccc1 ZINC000230196977 371869653 /nfs/dbraw/zinc/86/96/53/371869653.db2.gz YBMOKITWBRYVCY-DGCLKSJQSA-N 1 0 205.301 2.201 10 0 BEAERO CCC[C@H](C)[NH2+][C@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000227556669 371891441 /nfs/dbraw/zinc/89/14/41/371891441.db2.gz NHDLATHUSRQORY-DCAQKATOSA-N 1 0 242.363 2.430 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H](N)c2cccs2)C1 ZINC000227632488 371911347 /nfs/dbraw/zinc/91/13/47/371911347.db2.gz AUZZZZQRRPTWID-NXEZZACHSA-N 1 0 210.346 2.090 10 0 BEAERO CNc1cc(OCC(F)(F)F)cc[nH+]1 ZINC000227668670 371918579 /nfs/dbraw/zinc/91/85/79/371918579.db2.gz ISBVZTVZCQLJFP-UHFFFAOYSA-N 1 0 206.167 2.064 10 0 BEAERO C[N@H+]([C@H]1CCSC1)[C@@H]1CCCCCC1=O ZINC000057896098 371927213 /nfs/dbraw/zinc/92/72/13/371927213.db2.gz TWJLVFWRYMETTG-WDEREUQCSA-N 1 0 227.373 2.326 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2ccc(CO)cc2)C1 ZINC000230817014 371961034 /nfs/dbraw/zinc/96/10/34/371961034.db2.gz ADDUZZHQIAKEON-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO Cc1cc(NC2C[NH2+]C2)c(Cl)cc1F ZINC000306221587 372001685 /nfs/dbraw/zinc/00/16/85/372001685.db2.gz PURAKBPLHPVABE-UHFFFAOYSA-N 1 0 214.671 2.171 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@@H]([S@@](=O)C(C)(C)C)C1 ZINC000228012726 371976588 /nfs/dbraw/zinc/97/65/88/371976588.db2.gz QWOTVVNOBUZYRU-MAGOMRGPSA-N 1 0 217.378 2.050 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1sccc1Br ZINC000228026786 371977576 /nfs/dbraw/zinc/97/75/76/371977576.db2.gz PEEVPGYGXOFNEI-BQBZGAKWSA-N 1 0 248.145 2.299 10 0 BEAERO Cc1sccc1C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000227883560 371955501 /nfs/dbraw/zinc/95/55/01/371955501.db2.gz YFOQVIBGIFZPPS-ZETCQYMHSA-N 1 0 209.314 2.095 10 0 BEAERO Cc1csc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000306552265 372035723 /nfs/dbraw/zinc/03/57/23/372035723.db2.gz KEOWTRGEHLTNAZ-BDAKNGLRSA-N 1 0 211.334 2.133 10 0 BEAERO [NH3+]Cc1ccc(F)c(F)c1OC(F)F ZINC000306583905 372040451 /nfs/dbraw/zinc/04/04/51/372040451.db2.gz RHPCAYZTHYCFIY-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO C[NH2+]C/C=C/c1cnn(Cc2ccccc2)c1 ZINC000306604532 372045117 /nfs/dbraw/zinc/04/51/17/372045117.db2.gz ZDKWVMYAESHEBZ-VMPITWQZSA-N 1 0 227.311 2.164 10 0 BEAERO [NH3+][C@@H](Cc1sccc1Cl)c1ncc[nH]1 ZINC000306676550 372054942 /nfs/dbraw/zinc/05/49/42/372054942.db2.gz WKGLXSOPFQXEFP-ZETCQYMHSA-N 1 0 227.720 2.367 10 0 BEAERO CC(C)(C)C(=[NH2+])NC[C@H]1CCSC1 ZINC000228612854 372056818 /nfs/dbraw/zinc/05/68/18/372056818.db2.gz UAOITWZNQNDIQS-MRVPVSSYSA-N 1 0 200.351 2.352 10 0 BEAERO Cc1ccsc1[C@@H]1C[NH2+][C@@H](C)CCO1 ZINC000133811569 372115430 /nfs/dbraw/zinc/11/54/30/372115430.db2.gz IIVXIJOBRRSRDD-UWVGGRQHSA-N 1 0 211.330 2.496 10 0 BEAERO C[C@@H]1CCSC(NC[C@@H]2CCCS2)=[NH+]1 ZINC000133718248 372094584 /nfs/dbraw/zinc/09/45/84/372094584.db2.gz VXRIQZBIAYHWQN-BDAKNGLRSA-N 1 0 230.402 2.353 10 0 BEAERO Cc1cc([C@H](O)[C@H]([NH3+])C(C)C)ccc1F ZINC000032012533 372134201 /nfs/dbraw/zinc/13/42/01/372134201.db2.gz XLMPKKVOKXJZDT-NEPJUHHUSA-N 1 0 211.280 2.151 10 0 BEAERO CCSCC[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000133936991 372135944 /nfs/dbraw/zinc/13/59/44/372135944.db2.gz WVCHGSLGOWAXLX-WDEREUQCSA-N 1 0 246.420 2.008 10 0 BEAERO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cn[nH]c1 ZINC000134003253 372148168 /nfs/dbraw/zinc/14/81/68/372148168.db2.gz GIVSGMCLMYYNNJ-ZDUSSCGKSA-N 1 0 231.274 2.326 10 0 BEAERO O=C(C[NH2+]CCC1CCCC1)NC1CCCC1 ZINC000037741372 181978318 /nfs/dbraw/zinc/97/83/18/181978318.db2.gz NFNNKXFFAUNXNN-UHFFFAOYSA-N 1 0 238.375 2.215 10 0 BEAERO C(C1CCOCC1)[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000171826001 372786062 /nfs/dbraw/zinc/78/60/62/372786062.db2.gz MTYUIYHPIGOFGP-UONOGXRCSA-N 1 0 239.359 2.056 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC000054301784 182018864 /nfs/dbraw/zinc/01/88/64/182018864.db2.gz PYGHTORWKDMFHW-ZDUSSCGKSA-N 1 0 233.311 2.120 10 0 BEAERO O=C(Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000041285710 182032770 /nfs/dbraw/zinc/03/27/70/182032770.db2.gz YJSQYVFFFJWWHI-NSHDSACASA-N 1 0 241.693 2.343 10 0 BEAERO O=C(Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000041243586 182035327 /nfs/dbraw/zinc/03/53/27/182035327.db2.gz OJVDTAVDEAAUEK-LLVKDONJSA-N 1 0 223.703 2.204 10 0 BEAERO O=C(Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000041279481 182041248 /nfs/dbraw/zinc/04/12/48/182041248.db2.gz NBVCJXHIRMQXLP-LLVKDONJSA-N 1 0 237.730 2.451 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1c1nccc2ccccc21 ZINC000379755837 373055763 /nfs/dbraw/zinc/05/57/63/373055763.db2.gz VGRFFBCHUZOWDQ-GXFFZTMASA-N 1 0 227.311 2.161 10 0 BEAERO CN1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040672426 373588448 /nfs/dbraw/zinc/58/84/48/373588448.db2.gz ZCBXTTOLDSAPRQ-QWHCGFSZSA-N 1 0 208.349 2.027 10 0 BEAERO CSC[C@@H]([NH3+])c1cccc(F)c1F ZINC000069640926 373563726 /nfs/dbraw/zinc/56/37/26/373563726.db2.gz AMRCUYVSKPELOS-MRVPVSSYSA-N 1 0 203.257 2.328 10 0 BEAERO CCN1CCC[C@H]([NH3+])[C@@H]1c1cccs1 ZINC000069799275 373807666 /nfs/dbraw/zinc/80/76/66/373807666.db2.gz NEZJWHGZSMWZQF-GXSJLCMTSA-N 1 0 210.346 2.232 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2cccc(CO)c2)C1 ZINC000142687561 373832597 /nfs/dbraw/zinc/83/25/97/373832597.db2.gz AHASWQJKDFQCHI-CQSZACIVSA-N 1 0 219.328 2.377 10 0 BEAERO C[C@](O)(c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000069842931 373875459 /nfs/dbraw/zinc/87/54/59/373875459.db2.gz KVANKSDSTAZDDZ-MWLCHTKSSA-N 1 0 211.330 2.098 10 0 BEAERO O[C@H](c1cccs1)[C@H]1CCCCC[NH2+]1 ZINC000069843344 373876363 /nfs/dbraw/zinc/87/63/63/373876363.db2.gz LEYSGLMZJUZZJY-KOLCDFICSA-N 1 0 211.330 2.314 10 0 BEAERO Cc1ccsc1[C@@](C)(O)[C@@H]1CCC[NH2+]1 ZINC000069844474 373877287 /nfs/dbraw/zinc/87/72/87/373877287.db2.gz AXMLPQCXXHDQLG-ONGXEEELSA-N 1 0 211.330 2.016 10 0 BEAERO CC[NH2+][C@@H](C)c1cn(Cc2cccc(F)c2)nn1 ZINC000381423436 374118607 /nfs/dbraw/zinc/11/86/07/374118607.db2.gz CGWNOTULPCXSAX-JTQLQIEISA-N 1 0 248.305 2.136 10 0 BEAERO C[C@H](C[N@@H+]1CCCCC[C@@H]1C)C(N)=S ZINC000069944864 374090029 /nfs/dbraw/zinc/09/00/29/374090029.db2.gz IDSAPEDAZYCPBY-ZJUUUORDSA-N 1 0 214.378 2.173 10 0 BEAERO CC[C@@H](C(N)=S)[N@@H+]1CCCCC[C@@H]1C ZINC000069944914 374090288 /nfs/dbraw/zinc/09/02/88/374090288.db2.gz SYKTTWHMVXGPFQ-UWVGGRQHSA-N 1 0 214.378 2.316 10 0 BEAERO CCC(CC)(C[NH3+])N(C)C(=O)OC(C)(C)C ZINC000070671282 374173399 /nfs/dbraw/zinc/17/33/99/374173399.db2.gz WHYXTLKXXRARFS-UHFFFAOYSA-N 1 0 230.352 2.371 10 0 BEAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037255196 168858804 /nfs/dbraw/zinc/85/88/04/168858804.db2.gz MVYSNYWCZOWRKQ-RWMBFGLXSA-N 1 0 240.391 2.460 10 0 BEAERO COc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)cc1Cl ZINC000071558213 374275893 /nfs/dbraw/zinc/27/58/93/374275893.db2.gz JQZUCUYIOLSSHO-RYUDHWBXSA-N 1 0 243.734 2.365 10 0 BEAERO CCCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CCC ZINC000034938703 168872427 /nfs/dbraw/zinc/87/24/27/168872427.db2.gz FVMVWWIGSCORQP-QWRGUYRKSA-N 1 0 214.353 2.069 10 0 BEAERO CC[NH2+]CCCc1ccc(OC)c(OC)c1 ZINC000070639219 170113154 /nfs/dbraw/zinc/11/31/54/170113154.db2.gz FTVSAJQECMTTFK-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO O=C(OC1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000040954442 182600810 /nfs/dbraw/zinc/60/08/10/182600810.db2.gz FCAJJJWIVDKLAW-NSHDSACASA-N 1 0 225.332 2.252 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000002511942 170230888 /nfs/dbraw/zinc/23/08/88/170230888.db2.gz NZSSRNYURUYGPR-SNVBAGLBSA-N 1 0 245.681 2.432 10 0 BEAERO O=C(c1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000041245415 182649811 /nfs/dbraw/zinc/64/98/11/182649811.db2.gz KXTFKRAYTMMMBU-UHFFFAOYSA-N 1 0 225.238 2.147 10 0 BEAERO Cc1noc([C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000178984869 134314076 /nfs/dbraw/zinc/31/40/76/134314076.db2.gz PRRNOATUGLUXRW-JTQLQIEISA-N 1 0 221.304 2.110 10 0 BEAERO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C1CCCC1 ZINC000113487580 183000622 /nfs/dbraw/zinc/00/06/22/183000622.db2.gz HBMPARVDXWZOQL-LBPRGKRZSA-N 1 0 232.327 2.285 10 0 BEAERO CCCC[C@@H](CC)CC[NH2+]CCC(=O)NC ZINC000128726290 168955728 /nfs/dbraw/zinc/95/57/28/168955728.db2.gz XMYIXUAENNUDCI-GFCCVEGCSA-N 1 0 228.380 2.319 10 0 BEAERO OC1(CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000336549862 183015557 /nfs/dbraw/zinc/01/55/57/183015557.db2.gz UFWIKXXIUVQUAZ-RYUDHWBXSA-N 1 0 209.333 2.166 10 0 BEAERO OC1(CC[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000336549863 183015832 /nfs/dbraw/zinc/01/58/32/183015832.db2.gz UFWIKXXIUVQUAZ-VXGBXAGGSA-N 1 0 209.333 2.166 10 0 BEAERO OC1(C[NH2+]CCOc2ccccc2)CCCCC1 ZINC000042324980 183019156 /nfs/dbraw/zinc/01/91/56/183019156.db2.gz NFMQDDXORNSYSZ-UHFFFAOYSA-N 1 0 249.354 2.350 10 0 BEAERO OC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCC1 ZINC000336725342 183019870 /nfs/dbraw/zinc/01/98/70/183019870.db2.gz GHAQROSEVFEFPA-WDEREUQCSA-N 1 0 215.312 2.019 10 0 BEAERO OC1([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000004204194 183023469 /nfs/dbraw/zinc/02/34/69/183023469.db2.gz RSWDCBNJSMCSMC-ZDUSSCGKSA-N 1 0 217.312 2.033 10 0 BEAERO OCCC1(C[NH2+]C[C@@H]2CC=CCC2)CCC1 ZINC000125053877 183042614 /nfs/dbraw/zinc/04/26/14/183042614.db2.gz BOXRAMABUDYUGJ-CYBMUJFWSA-N 1 0 223.360 2.485 10 0 BEAERO OCCCCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000083358916 183047345 /nfs/dbraw/zinc/04/73/45/183047345.db2.gz HMYDDRWQZOTZKK-UHFFFAOYSA-N 1 0 232.327 2.420 10 0 BEAERO OCC1([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000126340791 183038126 /nfs/dbraw/zinc/03/81/26/183038126.db2.gz UOJKWJLJHNVFFH-UHFFFAOYSA-N 1 0 217.312 2.179 10 0 BEAERO OCC1([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000126335959 183038293 /nfs/dbraw/zinc/03/82/93/183038293.db2.gz RLZZPZRVGXDSIN-UHFFFAOYSA-N 1 0 217.312 2.179 10 0 BEAERO CCCC[C@H](CC)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049084 168994222 /nfs/dbraw/zinc/99/42/22/168994222.db2.gz PFNZYSGBBYDIEN-SDDRHHMPSA-N 1 0 226.364 2.008 10 0 BEAERO OCC[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000353702615 183094261 /nfs/dbraw/zinc/09/42/61/183094261.db2.gz JOSZEHOOJRIJEL-STQMWFEESA-N 1 0 209.333 2.047 10 0 BEAERO OCC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000300716702 183095242 /nfs/dbraw/zinc/09/52/42/183095242.db2.gz DPSVRICVTVIRQA-ZDUSSCGKSA-N 1 0 211.349 2.271 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(C)o1 ZINC000037619434 169005445 /nfs/dbraw/zinc/00/54/45/169005445.db2.gz ILPNGACFHGDKFC-LBPRGKRZSA-N 1 0 238.331 2.064 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000219001678 183117286 /nfs/dbraw/zinc/11/72/86/183117286.db2.gz HQJGEUBRCLOQMI-GXTWGEPZSA-N 1 0 237.318 2.466 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccncc1 ZINC000037823983 169006503 /nfs/dbraw/zinc/00/65/03/169006503.db2.gz OEYVZMHFDIWEJE-YPMHNXCESA-N 1 0 249.358 2.119 10 0 BEAERO CCCC[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000020431163 169008597 /nfs/dbraw/zinc/00/85/97/169008597.db2.gz KTPUCWWFXZYNIN-LBPRGKRZSA-N 1 0 232.327 2.396 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CC2CCOCC2)o1 ZINC000220931165 134314835 /nfs/dbraw/zinc/31/48/35/134314835.db2.gz IYVZDZNGPFUCSN-JTQLQIEISA-N 1 0 224.304 2.060 10 0 BEAERO CCCCc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1 ZINC000098126772 169018811 /nfs/dbraw/zinc/01/88/11/169018811.db2.gz QTRMAJIMIGXKGM-UHFFFAOYSA-N 1 0 244.342 2.316 10 0 BEAERO OC[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12 ZINC000026012468 183136286 /nfs/dbraw/zinc/13/62/86/183136286.db2.gz YFKAGZCIJHYSFZ-JKSUJKDBSA-N 1 0 237.302 2.123 10 0 BEAERO CCCCc1ccc([C@@H](C)NC(=O)C[NH3+])cc1 ZINC000107290021 169022553 /nfs/dbraw/zinc/02/25/53/169022553.db2.gz CAHFAEBJUVWULZ-LLVKDONJSA-N 1 0 234.343 2.165 10 0 BEAERO CCCCc1ccc([C@H](O)C[NH2+]C)cc1 ZINC000041216520 169023342 /nfs/dbraw/zinc/02/33/42/169023342.db2.gz VPDIZLZDPOCPFG-CYBMUJFWSA-N 1 0 207.317 2.282 10 0 BEAERO OC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000063001974 183140657 /nfs/dbraw/zinc/14/06/57/183140657.db2.gz JOFLEIBODMZXIG-ILXRZTDVSA-N 1 0 249.354 2.003 10 0 BEAERO OC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000063001976 183141073 /nfs/dbraw/zinc/14/10/73/183141073.db2.gz JOFLEIBODMZXIG-KKUMJFAQSA-N 1 0 249.354 2.003 10 0 BEAERO CCCCc1nc([C@H]2CCCCN2)no1 ZINC000040443492 169027059 /nfs/dbraw/zinc/02/70/59/169027059.db2.gz RMZRGWPXZUCWJC-SECBINFHSA-N 1 0 209.293 2.227 10 0 BEAERO OC[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccsc1 ZINC000249597173 183126504 /nfs/dbraw/zinc/12/65/04/183126504.db2.gz XDYAIVLLTHMFJA-RYUDHWBXSA-N 1 0 243.347 2.115 10 0 BEAERO OC[C@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000075620935 183147861 /nfs/dbraw/zinc/14/78/61/183147861.db2.gz QKPGXCUJBYOAJY-DGCLKSJQSA-N 1 0 211.349 2.460 10 0 BEAERO OC[C@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000075620937 183148178 /nfs/dbraw/zinc/14/81/78/183148178.db2.gz QKPGXCUJBYOAJY-YPMHNXCESA-N 1 0 211.349 2.460 10 0 BEAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000219001587 183148640 /nfs/dbraw/zinc/14/86/40/183148640.db2.gz HQJGEUBRCLOQMI-OCCSQVGLSA-N 1 0 237.318 2.466 10 0 BEAERO CCCN(C(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C)C(C)C ZINC000055126330 169045405 /nfs/dbraw/zinc/04/54/05/169045405.db2.gz VFNCMZDDDCJGDK-YNEHKIRRSA-N 1 0 240.391 2.397 10 0 BEAERO OC[C@]1([NH2+]C2CCCCC2)CCCSC1 ZINC000061590842 183159605 /nfs/dbraw/zinc/15/96/05/183159605.db2.gz IAGPUAUBMZBSOU-GFCCVEGCSA-N 1 0 229.389 2.167 10 0 BEAERO CCCN(C(=O)C(C)(C)C)C1CC[NH2+]CC1 ZINC000037653823 169041277 /nfs/dbraw/zinc/04/12/77/169041277.db2.gz TUVTXZXGZVBRSX-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO OC[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000149146531 183159621 /nfs/dbraw/zinc/15/96/21/183159621.db2.gz HUMHLGKGPBRHRM-HUUCEWRRSA-N 1 0 231.339 2.281 10 0 BEAERO OCc1cc(N(CC(F)(F)F)C2CC2)cc[nH+]1 ZINC000042779257 183162105 /nfs/dbraw/zinc/16/21/05/183162105.db2.gz CEZMVMVADFNKNY-UHFFFAOYSA-N 1 0 246.232 2.105 10 0 BEAERO OCc1ccc(C[NH2+]CCC2=CCCC2)o1 ZINC000125981175 183164264 /nfs/dbraw/zinc/16/42/64/183164264.db2.gz JOCMLMWIKNNSTG-UHFFFAOYSA-N 1 0 221.300 2.362 10 0 BEAERO O[C@@H](C[NH2+]C1CCC1)c1cccc(F)c1 ZINC000052209935 183177710 /nfs/dbraw/zinc/17/77/10/183177710.db2.gz VWBSKOBKZQONBX-LBPRGKRZSA-N 1 0 209.264 2.001 10 0 BEAERO CCCN(C(=O)[C@H]1[NH2+]CCC[C@H]1C)C(C)C ZINC000051792555 169046441 /nfs/dbraw/zinc/04/64/41/169046441.db2.gz YDYVRACSYAUGKJ-NEPJUHHUSA-N 1 0 226.364 2.022 10 0 BEAERO O[C@@H](C[NH2+]C1CCC1)c1cc(F)ccc1F ZINC000052209928 183178301 /nfs/dbraw/zinc/17/83/01/183178301.db2.gz RWAUYLDPHZUIIE-LBPRGKRZSA-N 1 0 227.254 2.140 10 0 BEAERO O[C@@H](Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000041282853 183183801 /nfs/dbraw/zinc/18/38/01/183183801.db2.gz ABIFDCFCWFLQHB-YPMHNXCESA-N 1 0 239.746 2.243 10 0 BEAERO O[C@@H]([C@H]1CCC[N@@H+]1C1CCCC1)C(F)(F)F ZINC000123755002 183184081 /nfs/dbraw/zinc/18/40/81/183184081.db2.gz HVRNOGWBCPMTDE-ZJUUUORDSA-N 1 0 237.265 2.317 10 0 BEAERO O[C@@H](c1c[nH]c2ccc(F)cc21)C1CC[NH2+]CC1 ZINC000104422565 183184686 /nfs/dbraw/zinc/18/46/86/183184686.db2.gz AFTUVDCLQBUXGH-CQSZACIVSA-N 1 0 248.301 2.340 10 0 BEAERO O[C@@H](C[N@@H+]1CCC[C@H]1C1CCC1)C(F)(F)F ZINC000121196782 183175107 /nfs/dbraw/zinc/17/51/07/183175107.db2.gz KEDBTNZXRPQGLK-UWVGGRQHSA-N 1 0 237.265 2.174 10 0 BEAERO CCC[N@H+](C)C[C@H](N)c1ccc(OCC)cc1 ZINC000037098325 169078372 /nfs/dbraw/zinc/07/83/72/169078372.db2.gz GFIPHCXGDDIQCT-AWEZNQCLSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000227066094 183196017 /nfs/dbraw/zinc/19/60/17/183196017.db2.gz GCLSPQFPYXKFSF-BZUAXINKSA-N 1 0 245.366 2.295 10 0 BEAERO O[C@@H]1CCc2c1cccc2OCC[NH+]1CCCC1 ZINC000062800433 183206940 /nfs/dbraw/zinc/20/69/40/183206940.db2.gz LAACCLJOUSSEKO-CQSZACIVSA-N 1 0 247.338 2.141 10 0 BEAERO O[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000041292065 183185653 /nfs/dbraw/zinc/18/56/53/183185653.db2.gz GEFSUTRYNXBZOB-MNOVXSKESA-N 1 0 245.244 2.491 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCCO2)[C@H]1CCC[NH2+]C1 ZINC000038058308 183186003 /nfs/dbraw/zinc/18/60/03/183186003.db2.gz SPJBERPXHNCTOW-ZFWWWQNUSA-N 1 0 247.338 2.045 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000036162436 183186134 /nfs/dbraw/zinc/18/61/34/183186134.db2.gz WQJYNBDNKQSQIX-CABCVRRESA-N 1 0 231.339 2.208 10 0 BEAERO O[C@@H]1CCC2=C(C[C@H]([NH+]3CCCC3)C2)C1 ZINC000169343106 183186666 /nfs/dbraw/zinc/18/66/66/183186666.db2.gz XCENWEGOKMTCKG-CHWSQXEVSA-N 1 0 207.317 2.086 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCCc2occc2C1 ZINC000288656439 183187930 /nfs/dbraw/zinc/18/79/30/183187930.db2.gz BKWCEUFFPBAKEN-QWHCGFSZSA-N 1 0 235.327 2.331 10 0 BEAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000037873802 183188575 /nfs/dbraw/zinc/18/85/75/183188575.db2.gz MXPHUMQTJAIUBL-UONOGXRCSA-N 1 0 219.328 2.470 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000051991027 183188974 /nfs/dbraw/zinc/18/89/74/183188974.db2.gz ARIAYECEEDYYHG-WDEREUQCSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2c(F)cccc2C1 ZINC000270504733 183189779 /nfs/dbraw/zinc/18/97/79/183189779.db2.gz IOJNABXQWLBDSB-LSDHHAIUSA-N 1 0 249.329 2.487 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH+]1CC2CCC(CC2)C1 ZINC000028234920 183190613 /nfs/dbraw/zinc/19/06/13/183190613.db2.gz IARIRTLONWFFST-NWINJMCUSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@@H]1CCC[N@H+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336144744 183191665 /nfs/dbraw/zinc/19/16/65/183191665.db2.gz RBNWSEAZJRCMJY-WDEREUQCSA-N 1 0 233.302 2.269 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1F ZINC000089163067 183194942 /nfs/dbraw/zinc/19/49/42/183194942.db2.gz WABSSMPUWXRYGK-ZWNOBZJWSA-N 1 0 241.281 2.215 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000042237087 183195589 /nfs/dbraw/zinc/19/55/89/183195589.db2.gz ZVGWSUYKEQUGEM-QWHCGFSZSA-N 1 0 239.746 2.386 10 0 BEAERO O[C@H](CCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000041233401 183219253 /nfs/dbraw/zinc/21/92/53/183219253.db2.gz PVXGMXLBTOMAPB-UONOGXRCSA-N 1 0 219.328 2.122 10 0 BEAERO CCC[N@H+](C)Cc1ccc2c(c1)CCN2 ZINC000037098554 169081333 /nfs/dbraw/zinc/08/13/33/169081333.db2.gz GOBPOKOKANITNM-UHFFFAOYSA-N 1 0 204.317 2.496 10 0 BEAERO O[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)C1CC1 ZINC000071301116 183222985 /nfs/dbraw/zinc/22/29/85/183222985.db2.gz MHZIWTMTFCKNDP-DFOWJFBESA-N 1 0 235.371 2.172 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH+]1CC2(C1)CCCC2 ZINC000123320688 183231114 /nfs/dbraw/zinc/23/11/14/183231114.db2.gz QMWMTUISYRTVQN-RYUDHWBXSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)C(F)(F)F ZINC000309620338 183225128 /nfs/dbraw/zinc/22/51/28/183225128.db2.gz GZHROXOUCBIBBC-IWSPIJDZSA-N 1 0 243.244 2.028 10 0 BEAERO O[C@H](Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000041289536 183227927 /nfs/dbraw/zinc/22/79/27/183227927.db2.gz BTTKPPZCZURHKN-NWDGAFQWSA-N 1 0 243.709 2.135 10 0 BEAERO O[C@H](c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000083160458 183228172 /nfs/dbraw/zinc/22/81/72/183228172.db2.gz VXPFEIKADOXZSQ-AWEZNQCLSA-N 1 0 231.295 2.466 10 0 BEAERO O[C@H](c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000041251913 183228325 /nfs/dbraw/zinc/22/83/25/183228325.db2.gz LOMYMMWSHHSIDE-ONGXEEELSA-N 1 0 229.682 2.265 10 0 BEAERO CCC[N@H+](C)[C@H]1CCc2ccccc2[C@@H]1N ZINC000037098260 169088858 /nfs/dbraw/zinc/08/88/58/169088858.db2.gz GAPNJYBYFNDAQJ-KBPBESRZSA-N 1 0 218.344 2.343 10 0 BEAERO CCC[N@H+](C1CC1)[C@H]1Cc2ccccc2[C@@H]1N ZINC000037097253 169091400 /nfs/dbraw/zinc/09/14/00/169091400.db2.gz HQRFBNHKZYQCSF-GJZGRUSLSA-N 1 0 230.355 2.486 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1c(F)cccc1F ZINC000089160651 183238191 /nfs/dbraw/zinc/23/81/91/183238191.db2.gz BWMGWHIKGXYFSS-ZANVPECISA-N 1 0 241.281 2.215 10 0 BEAERO O[C@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCC1 ZINC000044118080 183250715 /nfs/dbraw/zinc/25/07/15/183250715.db2.gz XCDLIDGAXCYDRT-HIFRSBDPSA-N 1 0 247.338 2.357 10 0 BEAERO O[C@]1(C2CC2)CC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336265398 183250941 /nfs/dbraw/zinc/25/09/41/183250941.db2.gz QNBCFNHSLDZGCJ-NWDGAFQWSA-N 1 0 245.313 2.269 10 0 BEAERO O[C@]1(c2ccc(F)cc2F)CC[N@@H+](C2CC2)C1 ZINC000061987880 183251313 /nfs/dbraw/zinc/25/13/13/183251313.db2.gz ZVOYGMTYRKQWJT-CYBMUJFWSA-N 1 0 239.265 2.021 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000085971415 183232919 /nfs/dbraw/zinc/23/29/19/183232919.db2.gz QBETZILUNKSGCK-HOCLYGCPSA-N 1 0 245.366 2.295 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCc2cccc(F)c2C1 ZINC000157954859 183232968 /nfs/dbraw/zinc/23/29/68/183232968.db2.gz AJBLDZCLBXEJJM-CABCVRRESA-N 1 0 249.329 2.487 10 0 BEAERO O[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)CC1 ZINC000293129593 183233472 /nfs/dbraw/zinc/23/34/72/183233472.db2.gz MSFLIBBDGWVESB-KGLIPLIRSA-N 1 0 231.339 2.173 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000051017285 183233728 /nfs/dbraw/zinc/23/37/28/183233728.db2.gz JHFJIAYKZJCHAW-OLZOCXBDSA-N 1 0 241.281 2.358 10 0 BEAERO CCC[NH+](CCC)C[C@H](N)[C@H](C)CC ZINC000020072236 169148998 /nfs/dbraw/zinc/14/89/98/169148998.db2.gz YJLWEGPFWMDFOF-NEPJUHHUSA-N 1 0 200.370 2.482 10 0 BEAERO Oc1ccc(C[NH2+]Cc2ccccn2)cc1F ZINC000083358638 183270865 /nfs/dbraw/zinc/27/08/65/183270865.db2.gz VWYSJJUHZDGYJE-UHFFFAOYSA-N 1 0 232.258 2.216 10 0 BEAERO Oc1ccc(CNc2cc[nH+]cc2)cc1 ZINC000083343369 183272043 /nfs/dbraw/zinc/27/20/43/183272043.db2.gz QJADLAMLJVFBJW-UHFFFAOYSA-N 1 0 200.241 2.399 10 0 BEAERO Oc1ccc([C@H]2CC[NH2+]C2)c(Br)c1 ZINC000096877763 183278333 /nfs/dbraw/zinc/27/83/33/183278333.db2.gz WJFFUFPQGFJFFC-ZETCQYMHSA-N 1 0 242.116 2.232 10 0 BEAERO Oc1ccc2[nH]c([C@@H]3CCCC[NH2+]3)nc2c1 ZINC000076006751 183279105 /nfs/dbraw/zinc/27/91/05/183279105.db2.gz GYEOYAYBTYVAAD-JTQLQIEISA-N 1 0 217.272 2.083 10 0 BEAERO Oc1ccc2c(c1)CC[NH2+][C@@H]2c1ccncc1 ZINC000033914241 183280083 /nfs/dbraw/zinc/28/00/83/183280083.db2.gz BUDRBFIGEXCTEJ-CQSZACIVSA-N 1 0 226.279 2.022 10 0 BEAERO CCC[N@H+](CCCCO)C[C@H]1CCCCO1 ZINC000106867034 169154398 /nfs/dbraw/zinc/15/43/98/169154398.db2.gz AIRZPLOEIJEVKK-CYBMUJFWSA-N 1 0 229.364 2.040 10 0 BEAERO CCC[N@H+](CCN(C)C)[C@@H]1CCCCCC1=O ZINC000045664209 169158750 /nfs/dbraw/zinc/15/87/50/169158750.db2.gz IIAAQNSEWHTJPI-CYBMUJFWSA-N 1 0 240.391 2.162 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051997395 183295792 /nfs/dbraw/zinc/29/57/92/183295792.db2.gz QIELQZXJBSIDOD-GUTXKFCHSA-N 1 0 247.338 2.273 10 0 BEAERO CCC[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000085576484 169164934 /nfs/dbraw/zinc/16/49/34/169164934.db2.gz KGPJWNKYKUHRRH-ZDUSSCGKSA-N 1 0 219.328 2.031 10 0 BEAERO CCCN([C@@H](C)CC(C)(C)OC)[C@@H]1CC[NH2+]C1 ZINC000071314818 169182054 /nfs/dbraw/zinc/18/20/54/169182054.db2.gz JDPKXGYMNVVMFL-QWHCGFSZSA-N 1 0 242.407 2.264 10 0 BEAERO CCCN(c1cccc(OCC)n1)[C@H]1CC[NH2+]C1 ZINC000104122336 169182871 /nfs/dbraw/zinc/18/28/71/169182871.db2.gz RCFHRJAFIMTNAN-LBPRGKRZSA-N 1 0 249.358 2.059 10 0 BEAERO c1c2c(cc3c1OCCO3)[C@H](CC1CC1)[NH2+]CC2 ZINC000083702136 183321926 /nfs/dbraw/zinc/32/19/26/183321926.db2.gz PVZBIHRKSYJMCI-ZDUSSCGKSA-N 1 0 245.322 2.445 10 0 BEAERO c1c[nH]c(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000083347035 183325730 /nfs/dbraw/zinc/32/57/30/183325730.db2.gz WUNPYMIWBDTCPH-UHFFFAOYSA-N 1 0 212.296 2.272 10 0 BEAERO CCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105885305 169194366 /nfs/dbraw/zinc/19/43/66/169194366.db2.gz QXCDKEPMHIOPCO-CYBMUJFWSA-N 1 0 236.363 2.017 10 0 BEAERO CCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885302 169198487 /nfs/dbraw/zinc/19/84/87/169198487.db2.gz QXCDKEPMHIOPCO-ZDUSSCGKSA-N 1 0 236.363 2.017 10 0 BEAERO CCC[NH+]1CCN(Cc2ccc(N)c(C)c2)CC1 ZINC000020073807 169203497 /nfs/dbraw/zinc/20/34/97/169203497.db2.gz SXQJIAIJPKWJBQ-UHFFFAOYSA-N 1 0 247.386 2.105 10 0 BEAERO CCC[N@@H+]1CCO[C@H](c2ccc(O)cc2)C1 ZINC000028957455 169204132 /nfs/dbraw/zinc/20/41/32/169204132.db2.gz IZHCCKWRFAIIPH-ZDUSSCGKSA-N 1 0 221.300 2.176 10 0 BEAERO CCCN(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000104330836 169179443 /nfs/dbraw/zinc/17/94/43/169179443.db2.gz AZELADFPCZKUAI-AWEZNQCLSA-N 1 0 233.359 2.046 10 0 BEAERO CCCNC(=O)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000043533471 169226539 /nfs/dbraw/zinc/22/65/39/169226539.db2.gz FLPFWDSMLYTOGD-ZDUSSCGKSA-N 1 0 248.370 2.296 10 0 BEAERO CCCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000336758667 169227994 /nfs/dbraw/zinc/22/79/94/169227994.db2.gz ILIIUBHDSOFCMF-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000037916386 183341271 /nfs/dbraw/zinc/34/12/71/183341271.db2.gz IQBRZZXSXZGHJP-GJZGRUSLSA-N 1 0 245.370 2.046 10 0 BEAERO CCC[N@@H+]1CC[C@H](CNc2cc(C)c(C)nn2)C1 ZINC000302347007 169209111 /nfs/dbraw/zinc/20/91/11/169209111.db2.gz XMULBJUHVQBWPU-CYBMUJFWSA-N 1 0 248.374 2.237 10 0 BEAERO c1cc(C[NH2+]CC2CCCCC2)ncn1 ZINC000054788930 183350341 /nfs/dbraw/zinc/35/03/41/183350341.db2.gz SGWLNUDHSHZHRB-UHFFFAOYSA-N 1 0 205.305 2.147 10 0 BEAERO c1cc(CSC[C@H]2CCC[NH2+]2)ccn1 ZINC000095092757 183354464 /nfs/dbraw/zinc/35/44/64/183354464.db2.gz HKWXRKFGQOMFIR-LLVKDONJSA-N 1 0 208.330 2.067 10 0 BEAERO c1cc(CSC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000095092758 183354882 /nfs/dbraw/zinc/35/48/82/183354882.db2.gz YZEWOPJBDBNISI-GFCCVEGCSA-N 1 0 222.357 2.314 10 0 BEAERO c1cc(C2CC2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000070951553 183335177 /nfs/dbraw/zinc/33/51/77/183335177.db2.gz DTGAKBNIGMUGEN-LLVKDONJSA-N 1 0 203.289 2.169 10 0 BEAERO c1cc2c(ccnc2[C@H]2CCCC[NH2+]2)[nH]1 ZINC000089220594 183363573 /nfs/dbraw/zinc/36/35/73/183363573.db2.gz XCBZEBMCGQJWAR-LLVKDONJSA-N 1 0 201.273 2.378 10 0 BEAERO CCCNC1(c2nc(C)cs2)CC[NH2+]CC1 ZINC000041061388 169255006 /nfs/dbraw/zinc/25/50/06/169255006.db2.gz BEQYIMOPNVHRIE-UHFFFAOYSA-N 1 0 239.388 2.030 10 0 BEAERO CCC[NH2+]CC(C)(C)CN1C[C@H](C)OC[C@@H]1C ZINC000051216956 169255493 /nfs/dbraw/zinc/25/54/93/169255493.db2.gz QUYLOIBJLLBINY-STQMWFEESA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1cc(C)c(OC)cc1C ZINC000049828924 169262919 /nfs/dbraw/zinc/26/29/19/169262919.db2.gz ABWJQXUCSZIOGU-CYBMUJFWSA-N 1 0 237.343 2.345 10 0 BEAERO CCC[NH2+]CC(=O)c1cc(C)c(C)cc1OC ZINC000049827492 169256242 /nfs/dbraw/zinc/25/62/42/169256242.db2.gz UOJPDDQBFVCMKK-UHFFFAOYSA-N 1 0 235.327 2.494 10 0 BEAERO CCC[NH2+]CC1(OC2CCOCC2)CCCC1 ZINC000050485944 169257229 /nfs/dbraw/zinc/25/72/29/169257229.db2.gz ZIWRGOFWJKKYMI-UHFFFAOYSA-N 1 0 241.375 2.494 10 0 BEAERO c1cc(C[C@@H]2CC3CC[NH+]2CC3)cc2c1OCO2 ZINC000000213429 183369025 /nfs/dbraw/zinc/36/90/25/183369025.db2.gz UJGYSUWZJIHQPA-ZDUSSCGKSA-N 1 0 245.322 2.442 10 0 BEAERO CCC[NH2+]CCOc1ccccc1OCC ZINC000020525124 169260434 /nfs/dbraw/zinc/26/04/34/169260434.db2.gz AHPGKVISNQCDKZ-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO c1cc(C[C@@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000082913369 183369351 /nfs/dbraw/zinc/36/93/51/183369351.db2.gz BJEXOQOGDUTQEK-LBPRGKRZSA-N 1 0 201.313 2.327 10 0 BEAERO c1cc(NCCC[NH+]2CCCC2)cc2c1OCO2 ZINC000041301156 183369419 /nfs/dbraw/zinc/36/94/19/183369419.db2.gz XZVGNEOFCKMHNE-UHFFFAOYSA-N 1 0 248.326 2.313 10 0 BEAERO CCC[NH2+]CCc1nc(C)c(C(C)=O)s1 ZINC000049820492 169261186 /nfs/dbraw/zinc/26/11/86/169261186.db2.gz YLAAUNDJMIDBAP-UHFFFAOYSA-N 1 0 226.345 2.196 10 0 BEAERO CCC[NH2+]CC[C@H](C)N(C)Cc1ccccn1 ZINC000052478926 169261516 /nfs/dbraw/zinc/26/15/16/169261516.db2.gz HEEAPXTWIRVIJS-ZDUSSCGKSA-N 1 0 235.375 2.292 10 0 BEAERO c1cc2c(cc1[C@@H]1CCC[NH2+]1)CCCO2 ZINC000072201833 183370121 /nfs/dbraw/zinc/37/01/21/183370121.db2.gz PEAFRVMUUCHLEF-LBPRGKRZSA-N 1 0 203.285 2.436 10 0 BEAERO CCC[NH2+]C[C@@H](C)Oc1ccc2c(c1)OCO2 ZINC000052648868 169262061 /nfs/dbraw/zinc/26/20/61/169262061.db2.gz YOCICWKADUPRHT-SNVBAGLBSA-N 1 0 237.299 2.182 10 0 BEAERO c1cc(OCC[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000051920074 183370808 /nfs/dbraw/zinc/37/08/08/183370808.db2.gz RZNLTQBSUOMLCP-NSHDSACASA-N 1 0 249.310 2.184 10 0 BEAERO c1cc(C2CCCC2)nc2c1C[NH2+]CCO2 ZINC000085210338 183372033 /nfs/dbraw/zinc/37/20/33/183372033.db2.gz DWLALWWYRGBVLC-UHFFFAOYSA-N 1 0 218.300 2.221 10 0 BEAERO c1cc2c(s1)CCN(C[C@@H]1CCCC[NH2+]1)C2 ZINC000020072122 183373174 /nfs/dbraw/zinc/37/31/74/183373174.db2.gz VDLXKUXGUIHNFJ-LBPRGKRZSA-N 1 0 236.384 2.248 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc(C)c(C)c1 ZINC000049814006 169262528 /nfs/dbraw/zinc/26/25/28/169262528.db2.gz QRBPWOYHTVXDGR-CYBMUJFWSA-N 1 0 207.317 2.336 10 0 BEAERO c1cc2ncc([C@@H]3CCCC[NH2+]3)cc2[nH]1 ZINC000089221685 183377189 /nfs/dbraw/zinc/37/71/89/183377189.db2.gz OQJPPNSSWAALDD-JTQLQIEISA-N 1 0 201.273 2.378 10 0 BEAERO c1cc2ncc(C[C@H]3CCC[NH2+]C3)cc2[nH]1 ZINC000089221486 183377285 /nfs/dbraw/zinc/37/72/85/183377285.db2.gz IDUYGYYVTRZQDH-SNVBAGLBSA-N 1 0 215.300 2.105 10 0 BEAERO c1cc2nc([C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000074211585 183377454 /nfs/dbraw/zinc/37/74/54/183377454.db2.gz BMGXOXVOPHUNTJ-SECBINFHSA-N 1 0 201.273 2.030 10 0 BEAERO c1ccc(-c2ccc([C@@H]3C[NH2+]CCO3)nc2)cc1 ZINC000072384520 183379733 /nfs/dbraw/zinc/37/97/33/183379733.db2.gz RMQYGPXFRYANKX-HNNXBMFYSA-N 1 0 240.306 2.410 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042862095 169246899 /nfs/dbraw/zinc/24/68/99/169246899.db2.gz QOZNJEXCSYCWNT-RWMBFGLXSA-N 1 0 240.391 2.317 10 0 BEAERO CCCNC(=O)[C@H](CC[NH3+])c1cc(C)ccc1C ZINC000076634078 169248310 /nfs/dbraw/zinc/24/83/10/169248310.db2.gz UQHAOUXWGNMYNH-CYBMUJFWSA-N 1 0 248.370 2.262 10 0 BEAERO CCCN[C@@]1(C(=O)OC)CCc2ccccc2C1 ZINC000037515819 169284156 /nfs/dbraw/zinc/28/41/56/169284156.db2.gz FQIVXAOJIMSHJM-HNNXBMFYSA-N 1 0 247.338 2.087 10 0 BEAERO CCC[NH2+][C@H](C)Cn1nc(C)c(CC)c1C ZINC000044033159 169286408 /nfs/dbraw/zinc/28/64/08/169286408.db2.gz RYVBDEYZRXRPHO-SNVBAGLBSA-N 1 0 223.364 2.450 10 0 BEAERO c1nn(-c2ccccc2)cc1CC[NH2+]C1CC1 ZINC000053302465 183386724 /nfs/dbraw/zinc/38/67/24/183386724.db2.gz YJGQHEUIPWQEOG-UHFFFAOYSA-N 1 0 227.311 2.167 10 0 BEAERO CCC[NH2+][C@H](C)c1ccc(OCCO)c(F)c1 ZINC000034842059 169287384 /nfs/dbraw/zinc/28/73/84/169287384.db2.gz UTZVIZGYHDBXAP-SNVBAGLBSA-N 1 0 241.306 2.257 10 0 BEAERO CCC[NH2+][C@H](CC1CCOCC1)c1ncccn1 ZINC000053829294 169289043 /nfs/dbraw/zinc/28/90/43/169289043.db2.gz ABROAGQRSLMNOD-CYBMUJFWSA-N 1 0 249.358 2.334 10 0 BEAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@@H]1COCCO1 ZINC000055300440 169289983 /nfs/dbraw/zinc/28/99/83/169289983.db2.gz ZBRJRJFEKGXEFH-LSDHHAIUSA-N 1 0 249.354 2.451 10 0 BEAERO CCC[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000032101449 169263824 /nfs/dbraw/zinc/26/38/24/169263824.db2.gz DLSGIPHCQOELHA-NSHDSACASA-N 1 0 243.734 2.079 10 0 BEAERO CCC[NH2+]Cc1cnc(-c2cc(C)ccn2)[nH]1 ZINC000104429249 169265971 /nfs/dbraw/zinc/26/59/71/169265971.db2.gz SMLUIRXUWLQSLJ-UHFFFAOYSA-N 1 0 230.315 2.280 10 0 BEAERO CCC[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000037674754 169268124 /nfs/dbraw/zinc/26/81/24/169268124.db2.gz CWEPXGHTQRRJNP-UHFFFAOYSA-N 1 0 221.300 2.348 10 0 BEAERO CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)c(F)c1 ZINC000034665257 169275844 /nfs/dbraw/zinc/27/58/44/169275844.db2.gz JXXWUGBBQYHJEE-JTQLQIEISA-N 1 0 248.305 2.467 10 0 BEAERO CCC[NH2+][C@@H](C)Cc1nc(-c2ccco2)no1 ZINC000109508563 169275927 /nfs/dbraw/zinc/27/59/27/169275927.db2.gz SMLQYOHQSZDRFY-VIFPVBQESA-N 1 0 235.287 2.260 10 0 BEAERO CCC[NH2+][C@@H](C)Cn1ccc(=O)c2ccccc21 ZINC000044038339 169276025 /nfs/dbraw/zinc/27/60/25/169276025.db2.gz DUNWKHCVXODKNS-LBPRGKRZSA-N 1 0 244.338 2.390 10 0 BEAERO CCC[NH2+][C@@H](C)[C@@H](C)N(C)C[C@@H]1CCCOC1 ZINC000104198521 169276042 /nfs/dbraw/zinc/27/60/42/169276042.db2.gz PSFWFCHPLKBDBW-MJBXVCDLSA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1[C@@H]1CCOC1 ZINC000112174103 169276295 /nfs/dbraw/zinc/27/62/95/169276295.db2.gz LTMKKNQXXACDKL-BFHYXJOUSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[NH2+][C@@H](CC1CCOCC1)c1ncccn1 ZINC000053829293 169278018 /nfs/dbraw/zinc/27/80/18/169278018.db2.gz ABROAGQRSLMNOD-ZDUSSCGKSA-N 1 0 249.358 2.334 10 0 BEAERO CCC[NH2+][C@@H]1CC(C)(C)Cc2ncncc21 ZINC000050101276 169281690 /nfs/dbraw/zinc/28/16/90/169281690.db2.gz ZZRUAYWHNXMTDQ-LLVKDONJSA-N 1 0 219.332 2.490 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000049647709 169281696 /nfs/dbraw/zinc/28/16/96/169281696.db2.gz OPKFSTUVZATIHT-CQSZACIVSA-N 1 0 246.354 2.096 10 0 BEAERO CCC[NH2+][C@@H]1CCCCCC[C@H]1S(C)(=O)=O ZINC000054930528 169282382 /nfs/dbraw/zinc/28/23/82/169282382.db2.gz YLSDOEPGXRSLEY-VXGBXAGGSA-N 1 0 247.404 2.122 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000037241378 169282862 /nfs/dbraw/zinc/28/28/62/169282862.db2.gz PRMJYKIZMSUKCM-GFCCVEGCSA-N 1 0 222.307 2.404 10 0 BEAERO CCC[NH2+][C@@H]1COc2c1cc(C)cc2OC ZINC000035652542 169283468 /nfs/dbraw/zinc/28/34/68/169283468.db2.gz DZGRSOVNCBQJIZ-LLVKDONJSA-N 1 0 221.300 2.437 10 0 BEAERO CCCO[C@@H]1CCCN(C[C@H]([NH3+])[C@@H](C)CC)C1 ZINC000042425488 169312099 /nfs/dbraw/zinc/31/20/99/169312099.db2.gz KPPIYVNGZPWDFX-MJBXVCDLSA-N 1 0 242.407 2.251 10 0 BEAERO CCCO[C@H]1CCCN([C@@H](C[NH3+])C(C)(C)C)C1 ZINC000042421213 169313330 /nfs/dbraw/zinc/31/33/30/169313330.db2.gz WIYDMHZYVKKZKO-STQMWFEESA-N 1 0 242.407 2.251 10 0 BEAERO CCCOc1cc(OC)ccc1C[NH2+]C ZINC000019776968 169315452 /nfs/dbraw/zinc/31/54/52/169315452.db2.gz RXXILCXIVGGPJB-UHFFFAOYSA-N 1 0 209.289 2.203 10 0 BEAERO CCCOc1cc2c(cc1C[C@@H](C)[NH3+])OCO2 ZINC000042878041 169315532 /nfs/dbraw/zinc/31/55/32/169315532.db2.gz LDGBLWNYCYUDPR-SECBINFHSA-N 1 0 237.299 2.094 10 0 BEAERO c1[nH]c2ccccc2c1C[NH2+][C@H]1CCCOC1 ZINC000076677565 183438628 /nfs/dbraw/zinc/43/86/28/183438628.db2.gz QWOQOLMEVLJNRK-LBPRGKRZSA-N 1 0 230.311 2.437 10 0 BEAERO CCC[NH2+][C@H]1CCN(C2CCCCCC2)C1=O ZINC000049648052 169291503 /nfs/dbraw/zinc/29/15/03/169291503.db2.gz VGFDCXGSKVMHHF-ZDUSSCGKSA-N 1 0 238.375 2.310 10 0 BEAERO CCC[NH2+][C@H]1CCN(CC2(C)CCCC2)C1=O ZINC000070976868 169291520 /nfs/dbraw/zinc/29/15/20/169291520.db2.gz WQRPNEJHZLOEFB-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO CCC[NH2+][C@H]1CCC[C@H]1c1cnn(C)c1 ZINC000060716639 169292068 /nfs/dbraw/zinc/29/20/68/169292068.db2.gz MXJIKYDFURPWQY-RYUDHWBXSA-N 1 0 207.321 2.056 10 0 BEAERO CCC[NH2+][C@H]1COc2c1cc(F)cc2F ZINC000035653403 169292189 /nfs/dbraw/zinc/29/21/89/169292189.db2.gz ZXWCBLWJHHHWOS-JTQLQIEISA-N 1 0 213.227 2.398 10 0 BEAERO CCC[NH2+][C@H]1COc2ccc(CCOC)cc21 ZINC000035657672 169292207 /nfs/dbraw/zinc/29/22/07/169292207.db2.gz TWKANWSMHVLOGH-ZDUSSCGKSA-N 1 0 235.327 2.309 10 0 BEAERO CCC[NH2+][C@H]1COc2c1cccc2OC ZINC000035652575 169292648 /nfs/dbraw/zinc/29/26/48/169292648.db2.gz YJCGHWIIAAYJGU-JTQLQIEISA-N 1 0 207.273 2.128 10 0 BEAERO CCCNc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000050891543 169293796 /nfs/dbraw/zinc/29/37/96/169293796.db2.gz CKYZAZHGNYKNKI-UHFFFAOYSA-N 1 0 228.299 2.341 10 0 BEAERO CCC[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757115 169294330 /nfs/dbraw/zinc/29/43/30/169294330.db2.gz GTLRXQWZSRYOHG-UHFFFAOYSA-N 1 0 202.257 2.350 10 0 BEAERO CCCOc1ccc([C@@]2(C)C[C@H]2[NH3+])cc1 ZINC000052126231 169321751 /nfs/dbraw/zinc/32/17/51/169321751.db2.gz ZYMRICHKYPTTAX-CHWSQXEVSA-N 1 0 205.301 2.464 10 0 BEAERO CCCOc1ccccc1C[NH2+]CCN(C)C ZINC000020967291 169326553 /nfs/dbraw/zinc/32/65/53/169326553.db2.gz UBONZPYZSJYLNA-UHFFFAOYSA-N 1 0 236.359 2.127 10 0 BEAERO CCCOc1nc(C(N)=[NH2+])cc2ccccc21 ZINC000067173646 169327923 /nfs/dbraw/zinc/32/79/23/169327923.db2.gz AOLAVNJVZJVERV-UHFFFAOYSA-N 1 0 229.283 2.308 10 0 BEAERO c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@@H]1CCCO1 ZINC000037927543 183444305 /nfs/dbraw/zinc/44/43/05/183444305.db2.gz HUAJWFZFBNNCHW-ZFWWWQNUSA-N 1 0 247.338 2.069 10 0 BEAERO CCC[C@@H](C)N(C)c1c(C[NH2+]C)c(C)nn1C ZINC000036791396 169366293 /nfs/dbraw/zinc/36/62/93/169366293.db2.gz GXHHNVSSCWXHPK-SNVBAGLBSA-N 1 0 238.379 2.073 10 0 BEAERO c1cnc2ccc(CO[C@@H]3CC[NH2+]C3)cc2c1 ZINC000051782054 183487256 /nfs/dbraw/zinc/48/72/56/183487256.db2.gz KYVKTOMZFVNNGH-CYBMUJFWSA-N 1 0 228.295 2.113 10 0 BEAERO CCC[C@@H](C)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000368426357 169369742 /nfs/dbraw/zinc/36/97/42/169369742.db2.gz VVLVCMVNPMANBV-NEPJUHHUSA-N 1 0 221.348 2.224 10 0 BEAERO CCC[C@@H](C(=O)Nc1ccc(O)cc1)[NH+](C)C ZINC000092603015 169345986 /nfs/dbraw/zinc/34/59/86/169345986.db2.gz PEBGXEWOYLYAHI-LBPRGKRZSA-N 1 0 236.315 2.061 10 0 BEAERO CCC[C@@H](C(=O)Nc1cnccc1C)[NH+](C)C ZINC000162015409 169346208 /nfs/dbraw/zinc/34/62/08/169346208.db2.gz WZNONQVWOGFXEV-LBPRGKRZSA-N 1 0 235.331 2.059 10 0 BEAERO c1cn(CCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)nn1 ZINC000126646823 183468218 /nfs/dbraw/zinc/46/82/18/183468218.db2.gz RVTKPVOMKKFELF-ZIAGYGMSSA-N 1 0 248.374 2.227 10 0 BEAERO CCC[C@@H](C)C(=O)N[C@H](C[NH3+])c1ccccc1 ZINC000104319333 169352263 /nfs/dbraw/zinc/35/22/63/169352263.db2.gz LDTBSLAGJOVYIP-DGCLKSJQSA-N 1 0 234.343 2.239 10 0 BEAERO CCC[C@@H](C)C[NH2+]CC(C)(C)N(C)C ZINC000020125990 169358578 /nfs/dbraw/zinc/35/85/78/169358578.db2.gz XFLILZFXLSLOGM-LLVKDONJSA-N 1 0 200.370 2.352 10 0 BEAERO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1N ZINC000036789820 169364105 /nfs/dbraw/zinc/36/41/05/169364105.db2.gz FJRIUNGSXYSEAW-LLVKDONJSA-N 1 0 249.358 2.328 10 0 BEAERO c1cnn(CC[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000049313973 183499543 /nfs/dbraw/zinc/49/95/43/183499543.db2.gz DJKKFRYUUAEVFG-UHFFFAOYSA-N 1 0 245.370 2.442 10 0 BEAERO CCC[C@@H](CC[NH3+])C(=O)N(C)c1ccccc1 ZINC000076616497 169381882 /nfs/dbraw/zinc/38/18/82/169381882.db2.gz SXPNUWXZTBVQGO-LBPRGKRZSA-N 1 0 234.343 2.415 10 0 BEAERO CCC[C@@H](C[NH3+])CCC(=O)N1CCCCC1 ZINC000076612398 169383810 /nfs/dbraw/zinc/38/38/10/169383810.db2.gz UBISBDNSJKFPJL-GFCCVEGCSA-N 1 0 226.364 2.154 10 0 BEAERO CCC[C@@H](C[NH3+])CC(=O)NC1CCCCC1 ZINC000076612303 169384072 /nfs/dbraw/zinc/38/40/72/169384072.db2.gz DBTHPXGIRFTUSF-LLVKDONJSA-N 1 0 226.364 2.200 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(F)cc(F)c1F ZINC000061118950 169392241 /nfs/dbraw/zinc/39/22/41/169392241.db2.gz JOIPBCLWFOCVFW-MRVPVSSYSA-N 1 0 246.232 2.170 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)c1ccccc1OC ZINC000082377984 169392941 /nfs/dbraw/zinc/39/29/41/169392941.db2.gz LAWJQIQYWQIUAG-SNVBAGLBSA-N 1 0 207.273 2.005 10 0 BEAERO CCC[C@@H]([NH3+])Cc1nc([C@H](C)CC)no1 ZINC000082563173 169393280 /nfs/dbraw/zinc/39/32/80/169393280.db2.gz NPFICRHAYXLVBR-RKDXNWHRSA-N 1 0 211.309 2.253 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(-c2ccco2)c[nH]1 ZINC000036873858 169393516 /nfs/dbraw/zinc/39/35/16/169393516.db2.gz ZZQHAEMVMQRTSY-MRVPVSSYSA-N 1 0 205.261 2.470 10 0 BEAERO CCC[C@@H]([NH3+])c1noc([C@@H]2CCCCO2)n1 ZINC000050973533 169395314 /nfs/dbraw/zinc/39/53/14/169395314.db2.gz LZRXHMKQXWZAHI-BDAKNGLRSA-N 1 0 225.292 2.111 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000180237515 134328526 /nfs/dbraw/zinc/32/85/26/134328526.db2.gz TWFVIIDCKGFSCG-BPNCWPANSA-N 1 0 219.328 2.280 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000180237480 134328546 /nfs/dbraw/zinc/32/85/46/134328546.db2.gz TWFVIIDCKGFSCG-GDLCADMTSA-N 1 0 219.328 2.280 10 0 BEAERO Cc1csc2c1ncnc2N[C@H](C)CC[NH3+] ZINC000222402818 134332133 /nfs/dbraw/zinc/33/21/33/134332133.db2.gz FAYKCFXTYAWBER-MRVPVSSYSA-N 1 0 236.344 2.149 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000162610822 169429268 /nfs/dbraw/zinc/42/92/68/169429268.db2.gz LGKRYCIGLTYLMM-NEPJUHHUSA-N 1 0 226.364 2.200 10 0 BEAERO CCC[C@@]1(C(=O)N2CC[C@H](C)C2)CCC[NH2+]C1 ZINC000062858991 169460013 /nfs/dbraw/zinc/46/00/13/169460013.db2.gz VBBOQONBEHZDKE-GXTWGEPZSA-N 1 0 238.375 2.025 10 0 BEAERO CCC[C@H](C)C(=O)N(C)CCC1CC[NH2+]CC1 ZINC000048259883 169468839 /nfs/dbraw/zinc/46/88/39/169468839.db2.gz AYNNEHVUZABJRL-LBPRGKRZSA-N 1 0 240.391 2.271 10 0 BEAERO CCC[C@H](C)C(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000020251998 169468986 /nfs/dbraw/zinc/46/89/86/169468986.db2.gz QDJZWGBBFZTKNV-QWHCGFSZSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@H](C)C(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358149 169470460 /nfs/dbraw/zinc/47/04/60/169470460.db2.gz GZBXPYWQKYVFHK-AVGNSLFASA-N 1 0 238.375 2.166 10 0 BEAERO CCC[C@H](CCC[NH3+])C(=O)N1CCCCC1 ZINC000076612347 169497856 /nfs/dbraw/zinc/49/78/56/169497856.db2.gz SZOADNVYWATWNK-GFCCVEGCSA-N 1 0 226.364 2.154 10 0 BEAERO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000022130037 169527589 /nfs/dbraw/zinc/52/75/89/169527589.db2.gz QICPYJBGEOHULG-QWRGUYRKSA-N 1 0 242.363 2.371 10 0 BEAERO CCC[C@](C)([NH3+])c1noc(C(C)(C)C)n1 ZINC000036764681 169549107 /nfs/dbraw/zinc/54/91/07/169549107.db2.gz LQDQQLSUZKHJSC-NSHDSACASA-N 1 0 211.309 2.341 10 0 BEAERO CCCc1ccc([C@@](C)([NH3+])CCO)cc1 ZINC000082532913 169574226 /nfs/dbraw/zinc/57/42/26/169574226.db2.gz GDIGZTUCRNHSQR-ZDUSSCGKSA-N 1 0 207.317 2.195 10 0 BEAERO CCCc1ccc([C@@]2(C)OC[C@H](C[NH3+])O2)cc1 ZINC000049827631 169574489 /nfs/dbraw/zinc/57/44/89/169574489.db2.gz LDDAQTMHMYSUHC-KBPBESRZSA-N 1 0 235.327 2.186 10 0 BEAERO CCCc1ccccc1N1CC[C@@H]([NH3+])C1 ZINC000049557878 169577244 /nfs/dbraw/zinc/57/72/44/169577244.db2.gz CFFRCQZMOAFJKO-GFCCVEGCSA-N 1 0 204.317 2.177 10 0 BEAERO CCCc1nc(C)c([C@@H](C)C[NH2+]C)c(C)n1 ZINC000054854708 169586499 /nfs/dbraw/zinc/58/64/99/169586499.db2.gz DNDPHCZGINUZDM-VIFPVBQESA-N 1 0 221.348 2.369 10 0 BEAERO CC1(C)[C@@H]([NH2+]C[C@H]2CCSC2)[C@@H]2CCO[C@@H]21 ZINC000226382654 134364602 /nfs/dbraw/zinc/36/46/02/134364602.db2.gz XYWWRDMRGBUJKY-RHYQMDGZSA-N 1 0 241.400 2.143 10 0 BEAERO CC(C)[C@H]([NH3+])COc1cc(F)cc(F)c1 ZINC000087534541 383848299 /nfs/dbraw/zinc/84/82/99/383848299.db2.gz CBXMJDWMMZKIAL-LLVKDONJSA-N 1 0 215.243 2.327 10 0 BEAERO Cc1cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cs1 ZINC000334733870 383857659 /nfs/dbraw/zinc/85/76/59/383857659.db2.gz ZVIMXQIDLQUTQF-BXKDBHETSA-N 1 0 225.357 2.259 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCc2nccn2C1)C(C)C ZINC000371480736 383830800 /nfs/dbraw/zinc/83/08/00/383830800.db2.gz QLLSDOMAFRVHLF-NEPJUHHUSA-N 1 0 221.348 2.222 10 0 BEAERO Cn1nccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000112346599 383920200 /nfs/dbraw/zinc/92/02/00/383920200.db2.gz RVJTURSVCVAZEM-AWEZNQCLSA-N 1 0 245.301 2.336 10 0 BEAERO CCC[C@H](C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000036902959 383921149 /nfs/dbraw/zinc/92/11/49/383921149.db2.gz WYSJIDWQFSOGMY-NSHDSACASA-N 1 0 234.343 2.311 10 0 BEAERO COC[C@@H](C[NH2+]CC1CCC(C)CC1)OC ZINC000227704776 134385205 /nfs/dbraw/zinc/38/52/05/134385205.db2.gz WMYPCYJFMGMBBT-WXRRBKDZSA-N 1 0 229.364 2.064 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1c(Cl)cnn1C ZINC000131926348 383898943 /nfs/dbraw/zinc/89/89/43/383898943.db2.gz JVRGLZKJDGOSMQ-PSASIEDQSA-N 1 0 227.739 2.352 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])[C@H](C)N(Cc2ccccc2)C1 ZINC000068593039 384002136 /nfs/dbraw/zinc/00/21/36/384002136.db2.gz MPGWATXLKGPBOP-DYEKYZERSA-N 1 0 218.344 2.244 10 0 BEAERO [NH3+]C[C@@H](Cc1ccccc1)c1ccncc1 ZINC000068591186 384002601 /nfs/dbraw/zinc/00/26/01/384002601.db2.gz IZWPYLBTSGVVON-CQSZACIVSA-N 1 0 212.296 2.367 10 0 BEAERO CN[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000050269832 383990243 /nfs/dbraw/zinc/99/02/43/383990243.db2.gz WVELHJDCINDLNR-VIFPVBQESA-N 1 0 219.115 2.213 10 0 BEAERO CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000089164480 383939588 /nfs/dbraw/zinc/93/95/88/383939588.db2.gz KPXMGTYTJNMAAO-ZFWWWQNUSA-N 1 0 249.354 2.336 10 0 BEAERO CC(C)(C)OC(=O)N1CCc2ccc(C[NH3+])cc21 ZINC000089209467 383946825 /nfs/dbraw/zinc/94/68/25/383946825.db2.gz WWKXEECKCJDNGY-UHFFFAOYSA-N 1 0 248.326 2.443 10 0 BEAERO [NH3+]CCc1ccc(Br)c2[nH]ccc21 ZINC000089204602 383947164 /nfs/dbraw/zinc/94/71/64/383947164.db2.gz RUBCNSCAQYSGLY-UHFFFAOYSA-N 1 0 239.116 2.432 10 0 BEAERO [NH3+][C@H]1CCN(c2ccnc3ccc(Cl)cc32)C1 ZINC000073738697 384021921 /nfs/dbraw/zinc/02/19/21/384021921.db2.gz YJHDYEIRTSPMLR-JTQLQIEISA-N 1 0 247.729 2.426 10 0 BEAERO [NH3+]C[C@@H]1OCCc2c(Br)scc21 ZINC000090397771 384045583 /nfs/dbraw/zinc/04/55/83/384045583.db2.gz JPULNNSJRQZWLJ-ZETCQYMHSA-N 1 0 248.145 2.083 10 0 BEAERO CO[C@H](C[N@@H+]1CCC[C@H](O)[C@H]1C)c1ccccc1 ZINC000296313994 384047113 /nfs/dbraw/zinc/04/71/13/384047113.db2.gz PXAWWJKHSWNMEW-VHDGCEQUSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@@H](O)CC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000114771805 384053076 /nfs/dbraw/zinc/05/30/76/384053076.db2.gz YUYHVCSWJSIAHS-SECBINFHSA-N 1 0 242.388 2.301 10 0 BEAERO CCCCCC[NH2+]C[C@@H](O)COC1CCCC1 ZINC000070192293 384086123 /nfs/dbraw/zinc/08/61/23/384086123.db2.gz FXIJNGLUUYPNPW-CYBMUJFWSA-N 1 0 243.391 2.476 10 0 BEAERO C[C@H]1CC2(CCC2)C[N@@H+]1CC1(O)CCC1 ZINC000335886072 384079468 /nfs/dbraw/zinc/07/94/68/384079468.db2.gz XVBHOXHEDJNLDI-NSHDSACASA-N 1 0 209.333 2.166 10 0 BEAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@@H](c1ccccc1O)C2 ZINC000072415404 384103803 /nfs/dbraw/zinc/10/38/03/384103803.db2.gz YYVLOIDHCYNDKC-KOLCDFICSA-N 1 0 243.310 2.154 10 0 BEAERO Cc1ccc([C@@H]2Cc3c(cnn3C)[C@H]([NH3+])C2)cc1 ZINC000072415874 384107592 /nfs/dbraw/zinc/10/75/92/384107592.db2.gz YXSDNCHRDJUHGA-GXTWGEPZSA-N 1 0 241.338 2.458 10 0 BEAERO CSC(=[NH2+])N(C)c1ccc2c(c1)OCCO2 ZINC000039135159 384109490 /nfs/dbraw/zinc/10/94/90/384109490.db2.gz CBFYGNOHOOGCCH-UHFFFAOYSA-N 1 0 238.312 2.192 10 0 BEAERO CC(=O)c1cc(C(=O)CC[NH+](C)C)c(C)nc1C ZINC000072416268 384113617 /nfs/dbraw/zinc/11/36/17/384113617.db2.gz JEAUMJLMOAOOQC-UHFFFAOYSA-N 1 0 248.326 2.035 10 0 BEAERO Cn1cccc1C[NH2+][C@H]1COc2ccccc21 ZINC000070528252 384116272 /nfs/dbraw/zinc/11/62/72/384116272.db2.gz OUSABQAKKKXWGP-ZDUSSCGKSA-N 1 0 228.295 2.248 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2=O)cc1C ZINC000116390571 384133239 /nfs/dbraw/zinc/13/32/39/384133239.db2.gz WXQGRMQGPPSJJK-JSGCOSHPSA-N 1 0 246.354 2.185 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2=O)cc1C ZINC000116390568 384134646 /nfs/dbraw/zinc/13/46/46/384134646.db2.gz WXQGRMQGPPSJJK-OCCSQVGLSA-N 1 0 246.354 2.185 10 0 BEAERO CC(C)=CC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116312732 384128140 /nfs/dbraw/zinc/12/81/40/384128140.db2.gz WXOKVVOUVKAAFD-LBPRGKRZSA-N 1 0 219.332 2.176 10 0 BEAERO CC(C)(C)Oc1ccc(Cl)c(C(N)=[NH2+])n1 ZINC000071186734 384153085 /nfs/dbraw/zinc/15/30/85/384153085.db2.gz DARIUDPQPPSKJZ-UHFFFAOYSA-N 1 0 227.695 2.196 10 0 BEAERO c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)nc1 ZINC000041047111 384175816 /nfs/dbraw/zinc/17/58/16/384175816.db2.gz YEHWTDHVFHJIQE-DMDPSCGWSA-N 1 0 202.301 2.360 10 0 BEAERO O=C(c1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000036159323 384162254 /nfs/dbraw/zinc/16/22/54/384162254.db2.gz YCRJDEPDOOIAKJ-LURJTMIESA-N 1 0 215.705 2.336 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H](CO)CC(C)C ZINC000040774924 384164702 /nfs/dbraw/zinc/16/47/02/384164702.db2.gz OQYVRZUCEIKJAT-NWDGAFQWSA-N 1 0 201.354 2.419 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H](CO)CC(C)C ZINC000040774920 384165487 /nfs/dbraw/zinc/16/54/87/384165487.db2.gz OQYVRZUCEIKJAT-RYUDHWBXSA-N 1 0 201.354 2.419 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)[C@@H]1CCCO1 ZINC000092195571 384167569 /nfs/dbraw/zinc/16/75/69/384167569.db2.gz PHAXSFRYJUURLX-CWSCBRNRSA-N 1 0 238.306 2.439 10 0 BEAERO CC[C@@H]([NH2+]C1CC(C)C1)c1nccn1C ZINC000132294723 384184598 /nfs/dbraw/zinc/18/45/98/384184598.db2.gz OJYNPHMYJYBDET-VQXHTEKXSA-N 1 0 207.321 2.259 10 0 BEAERO CC[N@H+](C[C@@H]1Cc2ccccc21)CC(C)(C)O ZINC000092981958 384205242 /nfs/dbraw/zinc/20/52/42/384205242.db2.gz DHJBNTSSJYVBEL-ZDUSSCGKSA-N 1 0 233.355 2.419 10 0 BEAERO CCC[C@H](C(=O)Nc1ccc(O)cc1)[NH+](C)C ZINC000092603016 384186339 /nfs/dbraw/zinc/18/63/39/384186339.db2.gz PEBGXEWOYLYAHI-GFCCVEGCSA-N 1 0 236.315 2.061 10 0 BEAERO Nc1ccc(=O)[nH]c1[NH2+]C1CCCCC1 ZINC000118264874 384194992 /nfs/dbraw/zinc/19/49/92/384194992.db2.gz KLRCZYFKZKQRMO-UHFFFAOYSA-N 1 0 207.277 2.114 10 0 BEAERO C[C@@H](CC[NH2+]C1CCCCCC1)[S@@](C)=O ZINC000132589012 384195269 /nfs/dbraw/zinc/19/52/69/384195269.db2.gz ROIDNYDXEOEWLM-NHYWBVRUSA-N 1 0 231.405 2.456 10 0 BEAERO [NH3+]C[C@@H](c1cccs1)n1cc(Cl)cn1 ZINC000043107266 384200101 /nfs/dbraw/zinc/20/01/01/384200101.db2.gz JNOJWCFIUHLLGB-QMMMGPOBSA-N 1 0 227.720 2.146 10 0 BEAERO CC(C)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699254 384256715 /nfs/dbraw/zinc/25/67/15/384256715.db2.gz RNTWTLVUHAHMTF-QWHCGFSZSA-N 1 0 210.365 2.201 10 0 BEAERO C[C@@H](C[NH2+]CCn1ccnc1)Cc1ccccc1 ZINC000132905507 384260382 /nfs/dbraw/zinc/26/03/82/384260382.db2.gz LOVRCGKNKCJEFU-CQSZACIVSA-N 1 0 243.354 2.352 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1cccc(F)c1 ZINC000119398926 384266884 /nfs/dbraw/zinc/26/68/84/384266884.db2.gz FEOIESCLPUMDPC-ZDUSSCGKSA-N 1 0 225.307 2.419 10 0 BEAERO CC[C@H]([NH3+])CNc1nc2ccccc2s1 ZINC000082579473 384242126 /nfs/dbraw/zinc/24/21/26/384242126.db2.gz PHZWCQCOYFAQTQ-QMMMGPOBSA-N 1 0 221.329 2.446 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282508342 384304368 /nfs/dbraw/zinc/30/43/68/384304368.db2.gz XGFYARUJUFSVNQ-SMDDNHRTSA-N 1 0 246.354 2.006 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000133462054 384291761 /nfs/dbraw/zinc/29/17/61/384291761.db2.gz IIWITLDKXOWQKD-GLVSWVFDSA-N 1 0 210.104 2.072 10 0 BEAERO Clc1ccc(COCC2CC[NH2+]CC2)cn1 ZINC000095069859 384335273 /nfs/dbraw/zinc/33/52/73/384335273.db2.gz ZWYSMQPWCXPYSP-UHFFFAOYSA-N 1 0 240.734 2.251 10 0 BEAERO C[NH+](C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074222 384351480 /nfs/dbraw/zinc/35/14/80/384351480.db2.gz VRYYQRAUDOOWNF-ZDUSSCGKSA-N 1 0 242.363 2.338 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000120554502 384361024 /nfs/dbraw/zinc/36/10/24/384361024.db2.gz UFZQRQMMEOMMKC-UHIISALHSA-N 1 0 242.326 2.326 10 0 BEAERO c1ccc([C@@H]2CO[C@H](C3CC3)C[NH2+]2)cc1 ZINC000095093123 384363270 /nfs/dbraw/zinc/36/32/70/384363270.db2.gz JDQUEKNXQJSOFW-STQMWFEESA-N 1 0 203.285 2.126 10 0 BEAERO C[C@@H](CCCO)[NH2+]Cc1ccnc2ccccc12 ZINC000094942232 384365682 /nfs/dbraw/zinc/36/56/82/384365682.db2.gz XHCNGDQSWUVENY-LBPRGKRZSA-N 1 0 244.338 2.485 10 0 BEAERO Cc1c(Cl)cccc1[C@@H](O)[C@H](C)C[NH3+] ZINC000220113463 384366732 /nfs/dbraw/zinc/36/67/32/384366732.db2.gz BDJNBMRRWJCGPZ-HQJQHLMTSA-N 1 0 213.708 2.277 10 0 BEAERO CCC[C@H](C(=O)Nc1ccccc1O)[NH+](C)C ZINC000159324700 384323537 /nfs/dbraw/zinc/32/35/37/384323537.db2.gz ZBZWBGQTSACYOX-LLVKDONJSA-N 1 0 236.315 2.061 10 0 BEAERO C[C@H](N[C@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000095068326 384329678 /nfs/dbraw/zinc/32/96/78/384329678.db2.gz QFBAZHKNXKPXAC-GUBZILKMSA-N 1 0 225.361 2.064 10 0 BEAERO Cc1ccc(SC[C@H]2CCCC[NH2+]2)nn1 ZINC000095069153 384331667 /nfs/dbraw/zinc/33/16/67/384331667.db2.gz LNKFZEAEPLJEKR-SNVBAGLBSA-N 1 0 223.345 2.019 10 0 BEAERO Cc1ccnc(S[C@@H]2CCC[NH2+]C2)c1 ZINC000095069300 384332576 /nfs/dbraw/zinc/33/25/76/384332576.db2.gz JCPTVAWGLZXIHN-SNVBAGLBSA-N 1 0 208.330 2.234 10 0 BEAERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000134123736 384333586 /nfs/dbraw/zinc/33/35/86/384333586.db2.gz OLEZZXWKRHSMOL-VWYCJHECSA-N 1 0 225.307 2.493 10 0 BEAERO Clc1cnc(SC[C@H]2CCCC[NH2+]2)nc1 ZINC000095070072 384334409 /nfs/dbraw/zinc/33/44/09/384334409.db2.gz VRYYAMQLOGYMOZ-SECBINFHSA-N 1 0 243.763 2.364 10 0 BEAERO [NH3+][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000095829030 384400959 /nfs/dbraw/zinc/40/09/59/384400959.db2.gz BCHBZNOWZZEHFX-NSHDSACASA-N 1 0 205.305 2.334 10 0 BEAERO CC[C@](C)(CN[C@H](C)c1ncc(C)o1)OC ZINC000319722466 384404979 /nfs/dbraw/zinc/40/49/79/384404979.db2.gz UTAKBRYJDVNJCQ-ZYHUDNBSSA-N 1 0 226.320 2.449 10 0 BEAERO CC[C@@](C)(CN[C@@H](C)c1ncc(C)o1)OC ZINC000319722463 384406168 /nfs/dbraw/zinc/40/61/68/384406168.db2.gz UTAKBRYJDVNJCQ-JQWIXIFHSA-N 1 0 226.320 2.449 10 0 BEAERO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2F)cnn1C ZINC000335630731 384408719 /nfs/dbraw/zinc/40/87/19/384408719.db2.gz GHOURPVGOXEIFY-VXGBXAGGSA-N 1 0 225.311 2.099 10 0 BEAERO Fc1ccc(-c2c[nH]n3ccnc23)cc1 ZINC000095935997 384414026 /nfs/dbraw/zinc/41/40/26/384414026.db2.gz GFIHPWMNZFNMCJ-UHFFFAOYSA-N 1 0 201.204 2.469 10 0 BEAERO CCSCCN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175343158 384425134 /nfs/dbraw/zinc/42/51/34/384425134.db2.gz AAJYAXWBYQMGLC-LBPRGKRZSA-N 1 0 230.421 2.156 10 0 BEAERO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000120895611 384385627 /nfs/dbraw/zinc/38/56/27/384385627.db2.gz QGNFFFAOPIKKSO-JSGCOSHPSA-N 1 0 246.354 2.001 10 0 BEAERO Cc1ccncc1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000135450649 384445096 /nfs/dbraw/zinc/44/50/96/384445096.db2.gz UPEBWIUHPYAUIX-OAHLLOKOSA-N 1 0 249.402 2.456 10 0 BEAERO Cc1ccncc1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000135450630 384446517 /nfs/dbraw/zinc/44/65/17/384446517.db2.gz UPEBWIUHPYAUIX-HNNXBMFYSA-N 1 0 249.402 2.456 10 0 BEAERO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)CC)C1 ZINC000181119363 384450176 /nfs/dbraw/zinc/45/01/76/384450176.db2.gz JJMCZALUEREYPX-RYUDHWBXSA-N 1 0 226.364 2.166 10 0 BEAERO c1cnn(CC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000122045393 384453220 /nfs/dbraw/zinc/45/32/20/384453220.db2.gz YDMFHWHMJDQIAF-UHFFFAOYSA-N 1 0 245.326 2.388 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000135295986 384430807 /nfs/dbraw/zinc/43/08/07/384430807.db2.gz LZIYLINQGCVIJU-GLQYFDAESA-N 1 0 231.339 2.311 10 0 BEAERO CN(c1cc(C(F)(F)F)ccn1)C1CC([NH3+])C1 ZINC000335661432 384464231 /nfs/dbraw/zinc/46/42/31/384464231.db2.gz RYYOWIUTOMNOMM-UHFFFAOYSA-N 1 0 245.248 2.026 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000096543938 384467999 /nfs/dbraw/zinc/46/79/99/384467999.db2.gz SIIUOEUBYMJLQG-LDYMZIIASA-N 1 0 235.718 2.486 10 0 BEAERO C[C@H](CCO)C[NH2+]CC1CCC(C)CC1 ZINC000085127425 384492277 /nfs/dbraw/zinc/49/22/77/384492277.db2.gz DTQWASDSAFKDKJ-OTTFEQOBSA-N 1 0 213.365 2.421 10 0 BEAERO FCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000137427716 384530914 /nfs/dbraw/zinc/53/09/14/384530914.db2.gz YMFFOERCHJEJHF-NSHDSACASA-N 1 0 211.284 2.296 10 0 BEAERO C[C@@H]([NH3+])c1cnc([C@@H]2CCSC2)s1 ZINC000258279422 384552220 /nfs/dbraw/zinc/55/22/20/384552220.db2.gz YKBMSSGTCQSPEW-RNFRBKRXSA-N 1 0 214.359 2.383 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000052395581 384537322 /nfs/dbraw/zinc/53/73/22/384537322.db2.gz GCDBAWMXZHLTPJ-MRVPVSSYSA-N 1 0 226.707 2.195 10 0 BEAERO C[C@H]([NH3+])[C@](C)(O)c1ccc(Br)cc1 ZINC000258372401 384572376 /nfs/dbraw/zinc/57/23/76/384572376.db2.gz WTOYRYGRQQRSIN-XVKPBYJWSA-N 1 0 244.132 2.004 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000050009556 384581778 /nfs/dbraw/zinc/58/17/78/384581778.db2.gz QAXBDFINRNMSHK-GXTWGEPZSA-N 1 0 246.354 2.488 10 0 BEAERO CCC[C@H](C(=O)Nc1ccsc1)[NH+](C)C ZINC000162188106 384587975 /nfs/dbraw/zinc/58/79/75/384587975.db2.gz VZOGVFBVNYVQDE-SNVBAGLBSA-N 1 0 226.345 2.417 10 0 BEAERO C[C@@H](Nc1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000335007348 384613863 /nfs/dbraw/zinc/61/38/63/384613863.db2.gz BKAPZIHDBSVZHE-RKDXNWHRSA-N 1 0 226.270 2.375 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000124135905 384615740 /nfs/dbraw/zinc/61/57/40/384615740.db2.gz QZTQGDQFESPZPR-LLVKDONJSA-N 1 0 248.305 2.076 10 0 BEAERO Cc1ccc(C[NH2+]CC2CC(O)C2)cc1C ZINC000084446013 384619282 /nfs/dbraw/zinc/61/92/82/384619282.db2.gz OOWCLEWNOGDJJB-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO CCC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1 ZINC000050393656 384620954 /nfs/dbraw/zinc/62/09/54/384620954.db2.gz HCBGBHQUUWGMEK-KGLIPLIRSA-N 1 0 246.354 2.396 10 0 BEAERO CCC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1 ZINC000050393654 384621075 /nfs/dbraw/zinc/62/10/75/384621075.db2.gz HCBGBHQUUWGMEK-KBPBESRZSA-N 1 0 246.354 2.396 10 0 BEAERO COc1ccc([C@@H]([NH3+])Cn2nc(C)cc2C)cc1 ZINC000011849932 384623951 /nfs/dbraw/zinc/62/39/51/384623951.db2.gz RMKSFPQYMCPPLM-AWEZNQCLSA-N 1 0 245.326 2.209 10 0 BEAERO CC(=O)Nc1ccc2c(c1)[C@H]([NH3+])CC(C)(C)O2 ZINC000011848992 384624903 /nfs/dbraw/zinc/62/49/03/384624903.db2.gz UVAJMYCFIMEHCP-LLVKDONJSA-N 1 0 234.299 2.206 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403324829 384633845 /nfs/dbraw/zinc/63/38/45/384633845.db2.gz BFUJCSMTHSVYJK-MQYQWHSLSA-N 1 0 222.376 2.106 10 0 BEAERO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1nccs1 ZINC000100248204 384628569 /nfs/dbraw/zinc/62/85/69/384628569.db2.gz RRXGKWBZRILWCZ-LPEHRKFASA-N 1 0 226.345 2.097 10 0 BEAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2cccs2)C1 ZINC000100266000 384628712 /nfs/dbraw/zinc/62/87/12/384628712.db2.gz ZNEGBTJZMXSFAT-WDEREUQCSA-N 1 0 224.373 2.493 10 0 BEAERO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccco1 ZINC000100248178 384628895 /nfs/dbraw/zinc/62/88/95/384628895.db2.gz XXRWWTCZMYONOO-GARJFASQSA-N 1 0 209.289 2.234 10 0 BEAERO CC(C)(C[NH3+])Oc1ccc2c(c1)CCCC2=O ZINC000098095972 384593194 /nfs/dbraw/zinc/59/31/94/384593194.db2.gz CRKCDHZVGYVYHP-UHFFFAOYSA-N 1 0 233.311 2.322 10 0 BEAERO [NH3+]C[C@@]1(Cc2ccc(F)cc2)CCCC1=O ZINC000098095947 384593373 /nfs/dbraw/zinc/59/33/73/384593373.db2.gz OTMCKAUGMQNWCK-ZDUSSCGKSA-N 1 0 221.275 2.066 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)c2cncc(C)c2)c1 ZINC000184394925 384598711 /nfs/dbraw/zinc/59/87/11/384598711.db2.gz MMHGCZGEVCFYGG-CYBMUJFWSA-N 1 0 244.342 2.246 10 0 BEAERO c1ccc2c(c1)[nH]nc2[C@H]1CCC[NH2+]C1 ZINC000082913032 384600278 /nfs/dbraw/zinc/60/02/78/384600278.db2.gz CODSMCOUHVHHQD-VIFPVBQESA-N 1 0 201.273 2.030 10 0 BEAERO Cc1c[o+]c(C=CNc2ccccc2)n1C ZINC000101150246 384667990 /nfs/dbraw/zinc/66/79/90/384667990.db2.gz LEBCKQFZGWBEOH-UHFFFAOYSA-O 1 0 215.276 2.495 10 0 BEAERO CCc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000045946258 384668888 /nfs/dbraw/zinc/66/88/88/384668888.db2.gz UMVQUWYXEOILLX-UHFFFAOYSA-N 1 0 229.327 2.304 10 0 BEAERO [NH3+][C@@H]1CCOC[C@H]1Cc1cccc(Cl)c1 ZINC000082360272 384674359 /nfs/dbraw/zinc/67/43/59/384674359.db2.gz IGUBAGLVAOHGHI-ZYHUDNBSSA-N 1 0 225.719 2.246 10 0 BEAERO c1cn(Cc2ccccc2)c(C[NH2+]C2CC2)n1 ZINC000006696911 384636749 /nfs/dbraw/zinc/63/67/49/384636749.db2.gz MVHKHGRJBMUYEV-UHFFFAOYSA-N 1 0 227.311 2.183 10 0 BEAERO c1ccc([C@H]2OC[C@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000100381556 384638120 /nfs/dbraw/zinc/63/81/20/384638120.db2.gz XKGUUISNOPCNKA-MCIONIFRSA-N 1 0 233.311 2.243 10 0 BEAERO C[NH+](C)CCc1c[nH]c2ccc3c(c12)OCO3 ZINC000028771334 384648138 /nfs/dbraw/zinc/64/81/38/384648138.db2.gz ZMKRWFZFMOKVCP-UHFFFAOYSA-N 1 0 232.283 2.001 10 0 BEAERO CO[C@H](C[NH3+])c1cc(Br)cs1 ZINC000043288271 384723517 /nfs/dbraw/zinc/72/35/17/384723517.db2.gz VTNVBCFSOPIOFR-ZCFIWIBFSA-N 1 0 236.134 2.157 10 0 BEAERO C[C@@H]1Oc2c(cc(F)cc2Cl)[C@H]1[NH3+] ZINC000043635488 384725772 /nfs/dbraw/zinc/72/57/72/384725772.db2.gz HHIWXEYYJQJZBP-NVNXEXLPSA-N 1 0 201.628 2.260 10 0 BEAERO C[C@@H]1CN(CC(C)(C)c2ccccc2)C[C@@H]1[NH3+] ZINC000647539381 384677258 /nfs/dbraw/zinc/67/72/58/384677258.db2.gz YGCLMRWXCQXNEQ-OCCSQVGLSA-N 1 0 232.371 2.243 10 0 BEAERO [NH3+]C[C@@H](c1ccc(Cl)s1)n1ccnc1 ZINC000043254325 384682632 /nfs/dbraw/zinc/68/26/32/384682632.db2.gz HZXJJIBVWFFKKH-ZETCQYMHSA-N 1 0 227.720 2.146 10 0 BEAERO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051883147 384698234 /nfs/dbraw/zinc/69/82/34/384698234.db2.gz WUGWZKZDQLHTIJ-SECBINFHSA-N 1 0 226.707 2.113 10 0 BEAERO Cn1ccnc1CNc1ccc(C[NH+](C)C)cc1 ZINC000051923299 384704301 /nfs/dbraw/zinc/70/43/01/384704301.db2.gz BMGJQEIAYCMDTL-UHFFFAOYSA-N 1 0 244.342 2.094 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000300908322 384704423 /nfs/dbraw/zinc/70/44/23/384704423.db2.gz JRUYUNUHWYPYFL-WOPDTQHZSA-N 1 0 209.333 2.334 10 0 BEAERO CCn1ccnc1C[NH2+]CCc1ccsc1 ZINC000051924138 384704732 /nfs/dbraw/zinc/70/47/32/384704732.db2.gz YNTMANHDHSKOKW-UHFFFAOYSA-N 1 0 235.356 2.297 10 0 BEAERO c1ccc2nc(OC[C@@H]3CCCC[NH2+]3)cnc2c1 ZINC000052018314 384711155 /nfs/dbraw/zinc/71/11/55/384711155.db2.gz SXLMBOOMPNTIRT-NSHDSACASA-N 1 0 243.310 2.151 10 0 BEAERO OC[C@@]1(c2ccc(Cl)cc2Cl)CC[NH2+]C1 ZINC000258952732 384713050 /nfs/dbraw/zinc/71/30/50/384713050.db2.gz ZAVKWIOSBDPPLX-LLVKDONJSA-N 1 0 246.137 2.217 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000309676651 384717864 /nfs/dbraw/zinc/71/78/64/384717864.db2.gz LXRYRLNODVBXEC-RYUDHWBXSA-N 1 0 221.348 2.080 10 0 BEAERO C[C@]1(c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000052126148 384718803 /nfs/dbraw/zinc/71/88/03/384718803.db2.gz YYQMPFXOAZURNL-VHSXEESVSA-N 1 0 226.117 2.438 10 0 BEAERO C[C@@H]1Oc2ccc(Br)cc2[C@@H]1[NH3+] ZINC000043635070 384720562 /nfs/dbraw/zinc/72/05/62/384720562.db2.gz UKVOIDKDARSJLE-SSDLBLMSSA-N 1 0 228.089 2.230 10 0 BEAERO C[NH2+][C@H]1c2cc(Br)ccc2O[C@@H]1C ZINC000043635076 384720909 /nfs/dbraw/zinc/72/09/09/384720909.db2.gz UMQWKRFDGMCMJB-LHLIQPBNSA-N 1 0 242.116 2.491 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCC(=O)NC ZINC000310004021 384777982 /nfs/dbraw/zinc/77/79/82/384777982.db2.gz FWUXBOBLXITJQJ-RYUDHWBXSA-N 1 0 226.364 2.071 10 0 BEAERO N[C@@H](C[NH3+])c1ccc(Cl)cc1C(F)(F)F ZINC000044473122 384743200 /nfs/dbraw/zinc/74/32/00/384743200.db2.gz YWHBAZACCIEICA-QMMMGPOBSA-N 1 0 238.640 2.317 10 0 BEAERO C[C@H]([NH2+]CCCCCF)[C@@H]1CCCO1 ZINC000308487331 384745894 /nfs/dbraw/zinc/74/58/94/384745894.db2.gz PHLRJJBSAGNUTM-QWRGUYRKSA-N 1 0 203.301 2.283 10 0 BEAERO [NH3+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000083186691 384748855 /nfs/dbraw/zinc/74/88/55/384748855.db2.gz INLOPVUYKOQZNM-NSHDSACASA-N 1 0 211.692 2.000 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1C ZINC000126274346 384758415 /nfs/dbraw/zinc/75/84/15/384758415.db2.gz PVXFESUJZOGPDL-PWSUYJOCSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C[C@H](C)O1 ZINC000518171107 384761004 /nfs/dbraw/zinc/76/10/04/384761004.db2.gz QDANNTGONZEUNT-RNJOBUHISA-N 1 0 243.391 2.187 10 0 BEAERO CCC1(C[NH2+]Cc2cnn(C)c2C)CC1 ZINC000126282139 384762230 /nfs/dbraw/zinc/76/22/30/384762230.db2.gz VNCZHKXTQAJHPG-UHFFFAOYSA-N 1 0 207.321 2.008 10 0 BEAERO CC[C@H]([NH2+]C[C@]1(OC)CCOC1)C(C)(C)C ZINC000310008718 384780526 /nfs/dbraw/zinc/78/05/26/384780526.db2.gz HUMSKOIJFMJWTP-WCQYABFASA-N 1 0 229.364 2.206 10 0 BEAERO CC[C@H]([NH2+]CCN1CCSCC1)C(C)(C)C ZINC000309998408 384771804 /nfs/dbraw/zinc/77/18/04/384771804.db2.gz CXOPHCVCKWKGOX-LBPRGKRZSA-N 1 0 244.448 2.450 10 0 BEAERO C[C@H](C[NH3+])c1nc2c(cccc2Cl)[nH]1 ZINC000054334342 384828795 /nfs/dbraw/zinc/82/87/95/384828795.db2.gz GUXOEGUUXGBDKZ-ZCFIWIBFSA-N 1 0 209.680 2.279 10 0 BEAERO c1ccc2oc(C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000054301694 384830092 /nfs/dbraw/zinc/83/00/92/384830092.db2.gz IKMVUGKZFVBMMG-SNVBAGLBSA-N 1 0 216.284 2.370 10 0 BEAERO Nc1[nH]cc(-c2cccc(Br)c2)[nH+]1 ZINC000084051049 384833067 /nfs/dbraw/zinc/83/30/67/384833067.db2.gz GOUUVFHVVUJMSO-UHFFFAOYSA-N 1 0 238.088 2.421 10 0 BEAERO CC[N@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000126252879 384783239 /nfs/dbraw/zinc/78/32/39/384783239.db2.gz ILIUJCSYTIBAJY-UHFFFAOYSA-N 1 0 230.315 2.027 10 0 BEAERO Cc1ncsc1C[NH2+]Cc1nc(C)ccc1O ZINC000105494094 384784446 /nfs/dbraw/zinc/78/44/46/384784446.db2.gz MQGKVZAYXHLBTC-UHFFFAOYSA-N 1 0 249.339 2.150 10 0 BEAERO CCCC[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000310018630 384785714 /nfs/dbraw/zinc/78/57/14/384785714.db2.gz MBRBERACOFPLOY-VXGBXAGGSA-N 1 0 221.348 2.366 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000048775646 384786501 /nfs/dbraw/zinc/78/65/01/384786501.db2.gz IVFKBEUVMMUDRB-SNVBAGLBSA-N 1 0 220.316 2.356 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H]1CCc2nccn2C1 ZINC000310019154 384786927 /nfs/dbraw/zinc/78/69/27/384786927.db2.gz MJCLAZKNDWXOOD-NWDGAFQWSA-N 1 0 221.348 2.224 10 0 BEAERO CCc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000375803477 384813084 /nfs/dbraw/zinc/81/30/84/384813084.db2.gz CPQBCIBVZKHZQG-QKDCVEJESA-N 1 0 231.339 2.231 10 0 BEAERO CC[C@@H]([NH2+]CCCn1ccnn1)C(C)(C)C ZINC000310042230 384813557 /nfs/dbraw/zinc/81/35/57/384813557.db2.gz ZHOSODROZMAWNQ-LLVKDONJSA-N 1 0 224.352 2.083 10 0 BEAERO CC[C@H]([NH2+]CCCn1ccnn1)C(C)(C)C ZINC000310042231 384814297 /nfs/dbraw/zinc/81/42/97/384814297.db2.gz ZHOSODROZMAWNQ-NSHDSACASA-N 1 0 224.352 2.083 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+][C@H](C)C(C)C ZINC000127523045 384870240 /nfs/dbraw/zinc/87/02/40/384870240.db2.gz ZSNXBKBUDMUAAQ-NWDGAFQWSA-N 1 0 200.370 2.351 10 0 BEAERO Cc1ccc(F)c(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000127324623 384883372 /nfs/dbraw/zinc/88/33/72/384883372.db2.gz SEJBHSFJMXYEOD-ZWNOBZJWSA-N 1 0 223.291 2.401 10 0 BEAERO c1ncc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000054767597 384854551 /nfs/dbraw/zinc/85/45/51/384854551.db2.gz KDKSKAMZUDZTJU-UHFFFAOYSA-N 1 0 243.354 2.391 10 0 BEAERO C/C=C/C=C\C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000255572058 384857291 /nfs/dbraw/zinc/85/72/91/384857291.db2.gz LOMMUZCFKRPZQI-BZXLYYIZSA-N 1 0 248.370 2.204 10 0 BEAERO CC[C@H](C[NH2+][C@@H]1CCc2c1cccc2O)OC ZINC000310150578 384860987 /nfs/dbraw/zinc/86/09/87/384860987.db2.gz HZPNBXSNTQAZIP-ZWNOBZJWSA-N 1 0 235.327 2.394 10 0 BEAERO CC[C@H]([NH3+])COc1cc(F)cc(F)c1 ZINC000054932736 384862203 /nfs/dbraw/zinc/86/22/03/384862203.db2.gz HFXPHAIHUFXLCI-VIFPVBQESA-N 1 0 201.216 2.081 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+][C@@H](C)C(C)C ZINC000127522807 384867029 /nfs/dbraw/zinc/86/70/29/384867029.db2.gz ZSNXBKBUDMUAAQ-NEPJUHHUSA-N 1 0 200.370 2.351 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)o1 ZINC000164263055 384951675 /nfs/dbraw/zinc/95/16/75/384951675.db2.gz AWVHHSGEVVMOCP-YPMHNXCESA-N 1 0 223.316 2.229 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)o1 ZINC000164263297 384952064 /nfs/dbraw/zinc/95/20/64/384952064.db2.gz AWVHHSGEVVMOCP-AAEUAGOBSA-N 1 0 223.316 2.229 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)cc1 ZINC000368495603 384957254 /nfs/dbraw/zinc/95/72/54/384957254.db2.gz KGSNZUJIOAMRGD-NZPIUUIZSA-N 1 0 235.302 2.369 10 0 BEAERO CO[C@@H](c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000095555187 384909952 /nfs/dbraw/zinc/90/99/52/384909952.db2.gz ATIFLIBBENKCKM-NSHDSACASA-N 1 0 211.692 2.247 10 0 BEAERO CC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000106384888 384914100 /nfs/dbraw/zinc/91/41/00/384914100.db2.gz BEMXGWBWSVXCLE-WDEREUQCSA-N 1 0 240.372 2.441 10 0 BEAERO c1ccc2nnc(C3CC[NH2+]CC3)cc2c1 ZINC000259269717 384921597 /nfs/dbraw/zinc/92/15/97/384921597.db2.gz BBWRKEFDQRRRNX-UHFFFAOYSA-N 1 0 213.284 2.097 10 0 BEAERO CCCC[NH2+]CCCOc1ccccn1 ZINC000057353399 384942498 /nfs/dbraw/zinc/94/24/98/384942498.db2.gz CKFOSGJYYDRJQY-UHFFFAOYSA-N 1 0 208.305 2.240 10 0 BEAERO Cn1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000057353181 384944308 /nfs/dbraw/zinc/94/43/08/384944308.db2.gz HZCDTVKNDDKYFS-ZDUSSCGKSA-N 1 0 244.338 2.447 10 0 BEAERO C[NH+](C)[C@H]1CC[C@@H](Nc2ncc(Cl)cn2)C1 ZINC000301915368 384945377 /nfs/dbraw/zinc/94/53/77/384945377.db2.gz GKHHAKXVKASTQL-ZJUUUORDSA-N 1 0 240.738 2.025 10 0 BEAERO COC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccc1 ZINC000300089264 533099794 /nfs/dbraw/zinc/09/97/94/533099794.db2.gz LSIGJSDCRALXRM-KKUMJFAQSA-N 1 0 249.354 2.267 10 0 BEAERO c1ccc2c(c1)C[C@@H](C[NH+]1CCCC1)O2 ZINC000370502720 384973337 /nfs/dbraw/zinc/97/33/37/384973337.db2.gz JDBCCIKAKDEFAT-LBPRGKRZSA-N 1 0 203.285 2.086 10 0 BEAERO Cc1ccncc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128038717 384981796 /nfs/dbraw/zinc/98/17/96/384981796.db2.gz FBPKKIOGQGLNBJ-QWHCGFSZSA-N 1 0 231.343 2.429 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000644579154 384985833 /nfs/dbraw/zinc/98/58/33/384985833.db2.gz OZQDGRBJFJXRGA-CYBMUJFWSA-N 1 0 249.354 2.096 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)sn1 ZINC000404435053 384995172 /nfs/dbraw/zinc/99/51/72/384995172.db2.gz QPVQIPDASLPAIL-ZYHUDNBSSA-N 1 0 240.372 2.092 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000086249725 385000734 /nfs/dbraw/zinc/00/07/34/385000734.db2.gz ILGZVSPVFCLHES-VHSXEESVSA-N 1 0 215.655 2.268 10 0 BEAERO CC(C)C1([NH2+][C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000339503951 385010584 /nfs/dbraw/zinc/01/05/84/385010584.db2.gz JJFLEJIFMXPPFA-SNVBAGLBSA-N 1 0 226.364 2.068 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1nc(C)ccc1O ZINC000165045761 385063661 /nfs/dbraw/zinc/06/36/61/385063661.db2.gz MKSSVAXMYQXDMT-GHMZBOCLSA-N 1 0 220.316 2.374 10 0 BEAERO Cc1c[nH]c(C[N@H+]2CCC[C@@H](C)C2)c(C)c1=O ZINC000058823344 385026179 /nfs/dbraw/zinc/02/61/79/385026179.db2.gz IKSXICQZWOTIAL-SNVBAGLBSA-N 1 0 234.343 2.224 10 0 BEAERO C[C@@H](CO)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000086629683 385034247 /nfs/dbraw/zinc/03/42/47/385034247.db2.gz BLVZODCUMGHRFE-VXGBXAGGSA-N 1 0 233.355 2.454 10 0 BEAERO [NH3+]C[C@@H](F)c1sccc1Br ZINC000156349842 385036632 /nfs/dbraw/zinc/03/66/32/385036632.db2.gz WBOZZUXCLNVNOD-RXMQYKEDSA-N 1 0 224.098 2.480 10 0 BEAERO [NH3+]C[C@@H](F)c1occc1Br ZINC000156367123 385037472 /nfs/dbraw/zinc/03/74/72/385037472.db2.gz HMQVAXSCMMPLSI-RXMQYKEDSA-N 1 0 208.030 2.011 10 0 BEAERO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nccn1C ZINC000130524876 385047044 /nfs/dbraw/zinc/04/70/44/385047044.db2.gz WCDCWTGAHWPVAY-QWRGUYRKSA-N 1 0 207.321 2.088 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCC2CCOCC2)o1 ZINC000310588825 385126613 /nfs/dbraw/zinc/12/66/13/385126613.db2.gz XRZSIWYALBKAKK-LLVKDONJSA-N 1 0 238.331 2.450 10 0 BEAERO Cc1ccc([C@@H]([NH3+])C2CCOCC2)cc1 ZINC000061671354 385128736 /nfs/dbraw/zinc/12/87/36/385128736.db2.gz NTRPNEVWCGUGGN-CYBMUJFWSA-N 1 0 205.301 2.421 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(N)=O ZINC000061676854 385129796 /nfs/dbraw/zinc/12/97/96/385129796.db2.gz FZLAJAZMEOGKMC-KWQFWETISA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000090773259 385093342 /nfs/dbraw/zinc/09/33/42/385093342.db2.gz QPXZSNAPUBTUHZ-TZMCWYRMSA-N 1 0 224.392 2.495 10 0 BEAERO CC[C@H]([NH2+]C[C@@](C)(O)CC)c1nccs1 ZINC000119381455 385095006 /nfs/dbraw/zinc/09/50/06/385095006.db2.gz SRHJCFDFXIBYGV-ONGXEEELSA-N 1 0 228.361 2.345 10 0 BEAERO CC1CC(C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000646969200 385098086 /nfs/dbraw/zinc/09/80/86/385098086.db2.gz XVYIUBKYDHFQKL-UHFFFAOYSA-N 1 0 246.354 2.020 10 0 BEAERO [NH3+]C[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062720981 385099399 /nfs/dbraw/zinc/09/93/99/385099399.db2.gz MBBOQBPOULAGPB-RQJHMYQMSA-N 1 0 201.191 2.166 10 0 BEAERO C[NH2+][C@H](c1cccs1)[C@H]1CCCOC1 ZINC000062231329 385103453 /nfs/dbraw/zinc/10/34/53/385103453.db2.gz PZNGWKAFINJWKL-ONGXEEELSA-N 1 0 211.330 2.435 10 0 BEAERO N[C@H](C[NH3+])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000044469533 385202514 /nfs/dbraw/zinc/20/25/14/385202514.db2.gz MAXAAORCIUQUFU-MRVPVSSYSA-N 1 0 238.640 2.317 10 0 BEAERO C[NH+](C)C[C@H]1CCc2[nH]c3ccccc3c2C1=O ZINC000022002122 385162529 /nfs/dbraw/zinc/16/25/29/385162529.db2.gz UEWOZJZAMBVKAE-SNVBAGLBSA-N 1 0 242.322 2.475 10 0 BEAERO CC(C)CC[C@@H](C)[NH2+]CCCn1ccnn1 ZINC000130069402 385214448 /nfs/dbraw/zinc/21/44/48/385214448.db2.gz XMUQLAOTFXLDDK-GFCCVEGCSA-N 1 0 224.352 2.083 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044685384 385219348 /nfs/dbraw/zinc/21/93/48/385219348.db2.gz VJPJBAWQXWHFKB-NWDGAFQWSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H](CCCC[NH3+])Nc1ncccc1F ZINC000308857731 385220279 /nfs/dbraw/zinc/22/02/79/385220279.db2.gz UJVGHLXZQDKKEX-SECBINFHSA-N 1 0 211.284 2.150 10 0 BEAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccncc2)cn1 ZINC000130366682 385243536 /nfs/dbraw/zinc/24/35/36/385243536.db2.gz AVRAUGNMFTYALV-AWEZNQCLSA-N 1 0 242.326 2.152 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2(C)CC2)C1(C)C ZINC000308937923 385305298 /nfs/dbraw/zinc/30/52/98/385305298.db2.gz LJBUKMOZKCWDGO-HBNTYKKESA-N 1 0 211.349 2.436 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)CSC)C1(C)C ZINC000308937068 385305858 /nfs/dbraw/zinc/30/58/58/385305858.db2.gz LDTYFBLSWWFBDX-CHWFTXMASA-N 1 0 231.405 2.387 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@@H]1O ZINC000346959911 385266953 /nfs/dbraw/zinc/26/69/53/385266953.db2.gz CSDDRYUWDXLVQG-ZLDLUXBVSA-N 1 0 231.339 2.029 10 0 BEAERO COC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000308911508 385286361 /nfs/dbraw/zinc/28/63/61/385286361.db2.gz DUWHPJQRVFJSPJ-WOPDTQHZSA-N 1 0 217.328 2.387 10 0 BEAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCO)o1 ZINC000177814232 385288012 /nfs/dbraw/zinc/28/80/12/385288012.db2.gz OGSADFHINRBBGX-LBPRGKRZSA-N 1 0 223.316 2.361 10 0 BEAERO CCOc1ccc([C@H]2C[NH2+]C[C@@H]2CF)cc1 ZINC000409424432 385331275 /nfs/dbraw/zinc/33/12/75/385331275.db2.gz ZWUAMXNSVOJMDG-WCQYABFASA-N 1 0 223.291 2.358 10 0 BEAERO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCO[C@@H]1C ZINC000309024292 385366682 /nfs/dbraw/zinc/36/66/82/385366682.db2.gz YZMXSGVWFCBFCZ-IWSPIJDZSA-N 1 0 225.254 2.484 10 0 BEAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccn2C)cn1 ZINC000131960479 385370638 /nfs/dbraw/zinc/37/06/38/385370638.db2.gz GIUQKPXEKZBYHB-AWEZNQCLSA-N 1 0 244.342 2.096 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccncc1Cl ZINC000165755267 385415369 /nfs/dbraw/zinc/41/53/69/385415369.db2.gz FMFBWLHKVYPAJU-JGVFFNPUSA-N 1 0 213.712 2.273 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309108460 385426336 /nfs/dbraw/zinc/42/63/36/385426336.db2.gz IXFZPEXJKDAWKA-ZBAXXZLZSA-N 1 0 209.333 2.332 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644089408 385439156 /nfs/dbraw/zinc/43/91/56/385439156.db2.gz LIAYEPXIISIBQN-WCQYABFASA-N 1 0 246.354 2.170 10 0 BEAERO Cc1ccc(CCC[NH2+][C@@H]2C[C@H]2C)cn1 ZINC000309161813 385443897 /nfs/dbraw/zinc/44/38/97/385443897.db2.gz ZKRGGQZCGMWPJT-ZWNOBZJWSA-N 1 0 204.317 2.321 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000309169679 385448801 /nfs/dbraw/zinc/44/88/01/385448801.db2.gz KTIFPECTBSHASN-MNOVXSKESA-N 1 0 207.321 2.149 10 0 BEAERO c1cn2c(n1)CC[C@@H](C[NH2+]C[C@@H]1CC=CCC1)C2 ZINC000275507411 385452919 /nfs/dbraw/zinc/45/29/19/385452919.db2.gz KCESEVGRFPUTBG-KGLIPLIRSA-N 1 0 245.370 2.391 10 0 BEAERO C[C@H]([NH2+][C@H](c1ncc[nH]1)c1cccnc1)C1CC1 ZINC000194966259 385455561 /nfs/dbraw/zinc/45/55/61/385455561.db2.gz PIVLPBVKEYVKQP-GWCFXTLKSA-N 1 0 242.326 2.282 10 0 BEAERO C[C@@H]1c2cccn2CCN1CCC[NH+]1CCCC1 ZINC000179264105 385455758 /nfs/dbraw/zinc/45/57/58/385455758.db2.gz CNZHBHBQFQXHFY-CQSZACIVSA-N 1 0 247.386 2.351 10 0 BEAERO c1csc(C[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000275521218 385457142 /nfs/dbraw/zinc/45/71/42/385457142.db2.gz LCNHZOQFRUTGOI-LLVKDONJSA-N 1 0 247.367 2.297 10 0 BEAERO CC(C)[NH+]1CCC(c2cccnn2)CC1 ZINC000259468653 385467583 /nfs/dbraw/zinc/46/75/83/385467583.db2.gz NXDZTWHUYIQFAF-UHFFFAOYSA-N 1 0 205.305 2.064 10 0 BEAERO c1ccc2nnc([C@@H]3CCCC[NH2+]3)cc2c1 ZINC000259465824 385468793 /nfs/dbraw/zinc/46/87/93/385468793.db2.gz LPAJEIQZPYFWDL-LBPRGKRZSA-N 1 0 213.284 2.444 10 0 BEAERO C[C@@H]1C[C@](O)(c2ccsc2)CC[N@@H+]1C ZINC000156794239 385469055 /nfs/dbraw/zinc/46/90/55/385469055.db2.gz SQMXRNSICPZYLX-KOLCDFICSA-N 1 0 211.330 2.050 10 0 BEAERO [NH3+]CC[C@H]1C(=O)Nc2cc(Cl)cc(Cl)c21 ZINC000257613824 385474239 /nfs/dbraw/zinc/47/42/39/385474239.db2.gz AXFNCTDYZKZOLJ-ZCFIWIBFSA-N 1 0 245.109 2.378 10 0 BEAERO CC[C@@H]([NH3+])Cc1ccc(Br)o1 ZINC000036778862 385482089 /nfs/dbraw/zinc/48/20/89/385482089.db2.gz LDWGLGSBZVHJQA-ZCFIWIBFSA-N 1 0 218.094 2.322 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(C)n1CC ZINC000183037725 385502262 /nfs/dbraw/zinc/50/22/62/385502262.db2.gz JCSIIQNCRJHGMY-UWVGGRQHSA-N 1 0 224.352 2.131 10 0 BEAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378787569 385505500 /nfs/dbraw/zinc/50/55/00/385505500.db2.gz LYMWBRCXNMRYRZ-QJPTWQEYSA-N 1 0 219.332 2.007 10 0 BEAERO C[C@H]([NH2+]Cc1ccnc(Cl)c1)[C@@H]1CCCO1 ZINC000183091145 385508167 /nfs/dbraw/zinc/50/81/67/385508167.db2.gz LDKYWNIUPGJVSI-ONGXEEELSA-N 1 0 240.734 2.392 10 0 BEAERO COC(=O)c1cccnc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000302310962 385510723 /nfs/dbraw/zinc/51/07/23/385510723.db2.gz IKRLOGMYBQLKLU-WDEREUQCSA-N 1 0 248.326 2.099 10 0 BEAERO C[NH+](C)[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000106770378 385529547 /nfs/dbraw/zinc/52/95/47/385529547.db2.gz XMVPPBTUIVENRK-ZDUSSCGKSA-N 1 0 236.359 2.039 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000036779508 385535440 /nfs/dbraw/zinc/53/54/40/385535440.db2.gz OTYWOVALXLHKNO-VHSXEESVSA-N 1 0 249.232 2.356 10 0 BEAERO CCC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCCCO1 ZINC000106866779 385537074 /nfs/dbraw/zinc/53/70/74/385537074.db2.gz JOQCNHLPCTXWJB-KBPBESRZSA-N 1 0 241.375 2.447 10 0 BEAERO CCc1csc(N2CCC(C)([NH3+])CC2)n1 ZINC000643028511 385524176 /nfs/dbraw/zinc/52/41/76/385524176.db2.gz LYJOJJSIIQIFLW-UHFFFAOYSA-N 1 0 225.361 2.023 10 0 BEAERO C1CC2(C1)C[N@H+](C1CCCC1)[C@H]1COC[C@H]12 ZINC000335162073 385576092 /nfs/dbraw/zinc/57/60/92/385576092.db2.gz NLNSIHPTYNHVCU-OLZOCXBDSA-N 1 0 221.344 2.430 10 0 BEAERO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037164414 385597202 /nfs/dbraw/zinc/59/72/02/385597202.db2.gz KAHTZXVXQYITQY-UONOGXRCSA-N 1 0 249.354 2.478 10 0 BEAERO CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037164402 385597274 /nfs/dbraw/zinc/59/72/74/385597274.db2.gz MYKAWWZQBBHUEK-KBPBESRZSA-N 1 0 249.354 2.478 10 0 BEAERO CC(C)[C@@H]([NH3+])c1nc(C(F)(F)F)c[nH]1 ZINC000036876939 385587697 /nfs/dbraw/zinc/58/76/97/385587697.db2.gz VAFWDMXSHKDTHH-ZCFIWIBFSA-N 1 0 207.199 2.084 10 0 BEAERO [NH3+][C@H]1CCC[C@H](OCc2ccccc2)C1 ZINC000075606542 385588828 /nfs/dbraw/zinc/58/88/28/385588828.db2.gz ZJXHVYNFOOHLNB-STQMWFEESA-N 1 0 205.301 2.473 10 0 BEAERO C[NH2+][C@H](CN)c1csc2ccccc12 ZINC000054464598 385590106 /nfs/dbraw/zinc/59/01/06/385590106.db2.gz FISGGBNMXVGGLG-SNVBAGLBSA-N 1 0 206.314 2.121 10 0 BEAERO COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000251097111 385617181 /nfs/dbraw/zinc/61/71/81/385617181.db2.gz LTZBZLFFGSKCOU-WCQYABFASA-N 1 0 247.338 2.067 10 0 BEAERO CCOC(=O)[C@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000259962434 385626550 /nfs/dbraw/zinc/62/65/50/385626550.db2.gz FMVBXKSXUHKWJG-NSHDSACASA-N 1 0 227.348 2.450 10 0 BEAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(F)cn1 ZINC000251544511 385627335 /nfs/dbraw/zinc/62/73/35/385627335.db2.gz PHAXSFRYJUURLX-OUJBWJOFSA-N 1 0 238.306 2.439 10 0 BEAERO C[C@H](O)CC[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000253012360 385664219 /nfs/dbraw/zinc/66/42/19/385664219.db2.gz DETPGVTVHZDHQY-WCQYABFASA-N 1 0 219.328 2.029 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000055421449 385642108 /nfs/dbraw/zinc/64/21/08/385642108.db2.gz MQYINPSWZQUKNV-SNVBAGLBSA-N 1 0 220.316 2.356 10 0 BEAERO Cc1ccncc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000252690989 385656375 /nfs/dbraw/zinc/65/63/75/385656375.db2.gz WOONCSMNYBZPHR-HIFRSBDPSA-N 1 0 245.370 2.059 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[C@H]1O ZINC000252699780 385657196 /nfs/dbraw/zinc/65/71/96/385657196.db2.gz WGNPRVUZGATJCW-UXIGCNINSA-N 1 0 249.354 2.074 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cscn1 ZINC000252787836 385659063 /nfs/dbraw/zinc/65/90/63/385659063.db2.gz GSYLWRYUBBFREX-DCAQKATOSA-N 1 0 240.372 2.345 10 0 BEAERO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)C1CCCC1 ZINC000184615173 385683987 /nfs/dbraw/zinc/68/39/87/385683987.db2.gz DANGLUNKKHVJIM-JTQLQIEISA-N 1 0 248.374 2.361 10 0 BEAERO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309555458 385686410 /nfs/dbraw/zinc/68/64/10/385686410.db2.gz JOISDJNZADKLTF-KKOKHZNYSA-N 1 0 243.416 2.389 10 0 BEAERO CO[C@H](C)CC[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000336735030 385692319 /nfs/dbraw/zinc/69/23/19/385692319.db2.gz LLIVGSDKKSXBLW-DDHJBXDOSA-N 1 0 229.364 2.061 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCOCCOC ZINC000336735336 385694222 /nfs/dbraw/zinc/69/42/22/385694222.db2.gz LRNKVXOFANYSQZ-QWHCGFSZSA-N 1 0 229.364 2.208 10 0 BEAERO C[NH2+][C@H]1CCc2nc(C(C)C)sc2C1 ZINC000211847113 385696570 /nfs/dbraw/zinc/69/65/70/385696570.db2.gz PVLOMJTYPKXPAB-QMMMGPOBSA-N 1 0 210.346 2.343 10 0 BEAERO C[C@]1(c2ccc(Br)s2)C[C@H]1[NH3+] ZINC000052126302 385700246 /nfs/dbraw/zinc/70/02/46/385700246.db2.gz OQXWNZJBPKQZRC-XRGYYRRGSA-N 1 0 232.146 2.499 10 0 BEAERO C[C@@]1(O)CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000253059966 385666489 /nfs/dbraw/zinc/66/64/89/385666489.db2.gz CSMJFWNRCOFKRJ-UKRRQHHQSA-N 1 0 231.339 2.173 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000309612795 385746934 /nfs/dbraw/zinc/74/69/34/385746934.db2.gz AROCILWQEHGVRM-GFCCVEGCSA-N 1 0 219.332 2.114 10 0 BEAERO CCC[C@H](C)[NH2+]Cc1cn2c(n1)CCCC2 ZINC000309617271 385747950 /nfs/dbraw/zinc/74/79/50/385747950.db2.gz CCSBUYJZXMVCEK-NSHDSACASA-N 1 0 221.348 2.498 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCc2nccn2C1)C(C)(C)C ZINC000309590594 385720734 /nfs/dbraw/zinc/72/07/34/385720734.db2.gz UQGVLJGMZVYRLK-WDEREUQCSA-N 1 0 221.348 2.222 10 0 BEAERO CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)C(C)(C)C ZINC000336740404 385811392 /nfs/dbraw/zinc/81/13/92/385811392.db2.gz UKGGDQNVNAFBEC-BMIGLBTASA-N 1 0 231.405 2.312 10 0 BEAERO C[NH+](C)CCSc1n[nH]c(-c2ccccc2)n1 ZINC000013589369 385832683 /nfs/dbraw/zinc/83/26/83/385832683.db2.gz QTJLSZKUOTZZIN-UHFFFAOYSA-N 1 0 248.355 2.125 10 0 BEAERO Cn1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)n1 ZINC000112343622 385839036 /nfs/dbraw/zinc/83/90/36/385839036.db2.gz KBQBDYWSNGUYJS-UHFFFAOYSA-N 1 0 245.370 2.334 10 0 BEAERO [NH3+]Cc1nc(OC2CCC2)ccc1Cl ZINC000051521764 385841037 /nfs/dbraw/zinc/84/10/37/385841037.db2.gz BJPALNLGTSXJGT-UHFFFAOYSA-N 1 0 212.680 2.125 10 0 BEAERO O=C(c1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000215682656 385848929 /nfs/dbraw/zinc/84/89/29/385848929.db2.gz UMKKGUJUGAHBBC-PBINXNQUSA-N 1 0 221.325 2.461 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000336705868 385789802 /nfs/dbraw/zinc/78/98/02/385789802.db2.gz PPLHDALKNKTLTL-UWVGGRQHSA-N 1 0 239.281 2.386 10 0 BEAERO Cc1ccc2nc(C[NH2+][C@H]3C[C@H]3C)cn2c1 ZINC000283826613 385794969 /nfs/dbraw/zinc/79/49/69/385794969.db2.gz GHXUBKUGLPAEKE-PWSUYJOCSA-N 1 0 215.300 2.141 10 0 BEAERO CC(C)C(=[NH2+])N[C@@H]1CC[C@H](C)SC1 ZINC000575533649 385891490 /nfs/dbraw/zinc/89/14/90/385891490.db2.gz CHIRTIWFNJLBJA-DTWKUNHWSA-N 1 0 200.351 2.493 10 0 BEAERO Cc1cc(C)cc(CO[C@@H]2CC[NH2+]C2)c1 ZINC000051782709 385915588 /nfs/dbraw/zinc/91/55/88/385915588.db2.gz GYAMVWROWCGOMX-CYBMUJFWSA-N 1 0 205.301 2.182 10 0 BEAERO Fc1ccc(F)c(S[C@@H]2CC[NH2+]C2)c1 ZINC000051784109 385915962 /nfs/dbraw/zinc/91/59/62/385915962.db2.gz HRKLYNDZLLHWQG-MRVPVSSYSA-N 1 0 215.268 2.419 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](c2ccc(CCO)cc2)C1 ZINC000616613533 385861945 /nfs/dbraw/zinc/86/19/45/385861945.db2.gz LJUVDZFOJDTIBX-HNNXBMFYSA-N 1 0 233.355 2.419 10 0 BEAERO Fc1cc(CN[C@H]2CC[NH2+]C2)c(F)cc1Cl ZINC000335018710 385977752 /nfs/dbraw/zinc/97/77/52/385977752.db2.gz IVFAHVOQFASWFG-QMMMGPOBSA-N 1 0 246.688 2.070 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000336748841 385987793 /nfs/dbraw/zinc/98/77/93/385987793.db2.gz CZZJCCFOSGEFOD-VXGBXAGGSA-N 1 0 211.349 2.460 10 0 BEAERO CC(C)(C)C(=[NH2+])N[C@@H]1CSC1(C)C ZINC000307646696 385936979 /nfs/dbraw/zinc/93/69/79/385936979.db2.gz CLESUSGNZACNRQ-SSDOTTSWSA-N 1 0 200.351 2.493 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@@H]1CC1(C)C ZINC000414091724 385957484 /nfs/dbraw/zinc/95/74/84/385957484.db2.gz DXVCWNZYUSMKRK-SDDRHHMPSA-N 1 0 238.375 2.022 10 0 BEAERO CC[C@@H]([NH2+]CCc1ccn(C)n1)C(C)(C)C ZINC000336746625 385960334 /nfs/dbraw/zinc/96/03/34/385960334.db2.gz WQGYEZQLOFSZHQ-GFCCVEGCSA-N 1 0 223.364 2.377 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000336742371 385963917 /nfs/dbraw/zinc/96/39/17/385963917.db2.gz RXLFNFCAHDOZTO-STQMWFEESA-N 1 0 221.348 2.479 10 0 BEAERO Cc1cc(Cl)ncc1NC[C@H](C)C[NH3+] ZINC000307671877 385973994 /nfs/dbraw/zinc/97/39/94/385973994.db2.gz XPUMMMOUBIBCNL-SSDOTTSWSA-N 1 0 213.712 2.050 10 0 BEAERO COC(=O)[C@@H]1CCC[N@@H+](C(C)(C)C)CC1 ZINC000261000734 385999862 /nfs/dbraw/zinc/99/98/62/385999862.db2.gz SQPJSUXAZXDLJO-SNVBAGLBSA-N 1 0 213.321 2.060 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)N(C)C ZINC000336770230 386010721 /nfs/dbraw/zinc/01/07/21/386010721.db2.gz VKWFQQKELARCOF-JHJVBQTASA-N 1 0 212.381 2.495 10 0 BEAERO C/C=C/[C@H]([NH3+])[C@H]1SCCS[C@H]1C ZINC000575562793 386034693 /nfs/dbraw/zinc/03/46/93/386034693.db2.gz DQBDPIRKISOKBG-YUBFUXFOSA-N 1 0 203.376 2.127 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccc(N)cc1 ZINC000616598950 386051111 /nfs/dbraw/zinc/05/11/11/386051111.db2.gz MAUFNPCPFVEVNP-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO C/C=C/[C@H]([NH3+])c1ncccc1Br ZINC000575564005 386054160 /nfs/dbraw/zinc/05/41/60/386054160.db2.gz ZATKCKJVZKRBLO-KHVHVRLGSA-N 1 0 227.105 2.420 10 0 BEAERO C[NH2+][C@@H]1COc2c1cc(F)cc2Cl ZINC000037901965 386102607 /nfs/dbraw/zinc/10/26/07/386102607.db2.gz MLDYIOLJWFRWOL-MRVPVSSYSA-N 1 0 201.628 2.132 10 0 BEAERO Cc1ncsc1[C@@]1([NH3+])CS[C@@H](C)C1 ZINC000575569102 386112788 /nfs/dbraw/zinc/11/27/88/386112788.db2.gz BVZFLUVBSDGLIF-RCOVLWMOSA-N 1 0 214.359 2.131 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCC2CCCC2)C1 ZINC000055087941 386155979 /nfs/dbraw/zinc/15/59/79/386155979.db2.gz KGPOEEVVAHASBQ-CHWSQXEVSA-N 1 0 238.375 2.200 10 0 BEAERO CCC[C@@](C)([NH3+])c1nc(-c2ccco2)no1 ZINC000054445103 386127372 /nfs/dbraw/zinc/12/73/72/386127372.db2.gz YTYGKKUHCOLQOS-LLVKDONJSA-N 1 0 221.260 2.304 10 0 BEAERO Cc1sccc1[C@H]1OCCC[C@H]1C[NH3+] ZINC000307183134 386139590 /nfs/dbraw/zinc/13/95/90/386139590.db2.gz WYVYAUJQXQTAPA-ONGXEEELSA-N 1 0 211.330 2.483 10 0 BEAERO C[N@H+](C[C@@H]1Cc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000287649899 386140527 /nfs/dbraw/zinc/14/05/27/386140527.db2.gz GPDHCZJPSJPSSO-YCPHGPKFSA-N 1 0 245.366 2.419 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000130777667 386201312 /nfs/dbraw/zinc/20/13/12/386201312.db2.gz XIUZNPNJSJYXDE-CABZTGNLSA-N 1 0 237.299 2.344 10 0 BEAERO CC(C)[N@H+](C[C@@H](C)O)C[C@@H]1Cc2ccccc21 ZINC000347062279 386209680 /nfs/dbraw/zinc/20/96/80/386209680.db2.gz VBNZAVVPOZVUSF-OCCSQVGLSA-N 1 0 233.355 2.418 10 0 BEAERO C[C@H]1C[C@]1([NH3+])Cc1ccc(Br)cn1 ZINC000575582670 386250211 /nfs/dbraw/zinc/25/02/11/386250211.db2.gz QDYGPXVKPWXCOK-XVKPBYJWSA-N 1 0 241.132 2.124 10 0 BEAERO CCCN(CC(C)C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000310551099 386197315 /nfs/dbraw/zinc/19/73/15/386197315.db2.gz GLLCQMOVZXTWEG-CYBMUJFWSA-N 1 0 240.391 2.413 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000336730622 386281165 /nfs/dbraw/zinc/28/11/65/386281165.db2.gz KHJIQUINUBDBGU-SRVKXCTJSA-N 1 0 215.312 2.283 10 0 BEAERO Cc1cccc(C)c1NC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335278814 386345469 /nfs/dbraw/zinc/34/54/69/386345469.db2.gz PYDCOSQTSFDCDS-NEPJUHHUSA-N 1 0 247.342 2.257 10 0 BEAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336775008 386378971 /nfs/dbraw/zinc/37/89/71/386378971.db2.gz XUQWYPXZKMFEFB-NZEXEKPDSA-N 1 0 229.364 2.203 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000336775010 386379609 /nfs/dbraw/zinc/37/96/09/386379609.db2.gz XUQWYPXZKMFEFB-WISYIIOYSA-N 1 0 229.364 2.203 10 0 BEAERO [NH3+]Cc1cnc(Cc2cccs2)s1 ZINC000052900904 386332787 /nfs/dbraw/zinc/33/27/87/386332787.db2.gz BDFCXPUTXKUXQN-UHFFFAOYSA-N 1 0 210.327 2.254 10 0 BEAERO CC1CC(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000519385040 386426148 /nfs/dbraw/zinc/42/61/48/386426148.db2.gz JHOBPOOIHWZCQT-UHFFFAOYSA-N 1 0 218.300 2.130 10 0 BEAERO CC(C)CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000062098624 386500946 /nfs/dbraw/zinc/50/09/46/386500946.db2.gz OQAAXCVNHPBCPY-NWDGAFQWSA-N 1 0 226.364 2.056 10 0 BEAERO Cc1ccc(F)cc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399212072 386457233 /nfs/dbraw/zinc/45/72/33/386457233.db2.gz RSYRNZDGCIWHHP-SMDDNHRTSA-N 1 0 237.318 2.479 10 0 BEAERO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1cccs1 ZINC000399218045 386458469 /nfs/dbraw/zinc/45/84/69/386458469.db2.gz BAIYQTIRDMGEIX-LDYMZIIASA-N 1 0 238.356 2.053 10 0 BEAERO COc1ccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399217464 386459174 /nfs/dbraw/zinc/45/91/74/386459174.db2.gz VANHTKLRSQJUSP-WCQYABFASA-N 1 0 235.327 2.040 10 0 BEAERO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000399222918 386459767 /nfs/dbraw/zinc/45/97/67/386459767.db2.gz XIKTYDWKTCUJJF-XBFCOCLRSA-N 1 0 231.339 2.172 10 0 BEAERO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000399222915 386459779 /nfs/dbraw/zinc/45/97/79/386459779.db2.gz XIKTYDWKTCUJJF-MRVWCRGKSA-N 1 0 231.339 2.172 10 0 BEAERO CN(CC1CCC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000061454711 386465299 /nfs/dbraw/zinc/46/52/99/386465299.db2.gz PPRGWBKCDYBKDA-UHFFFAOYSA-N 1 0 232.327 2.017 10 0 BEAERO [NH3+]Cc1nccc2c(F)ccc(Cl)c21 ZINC000521402229 386465366 /nfs/dbraw/zinc/46/53/66/386465366.db2.gz YGFHNZMOSJBDBD-UHFFFAOYSA-N 1 0 210.639 2.486 10 0 BEAERO c1cnc2cccc([C@H]3COCCC[NH2+]3)c2c1 ZINC000616599897 386535570 /nfs/dbraw/zinc/53/55/70/386535570.db2.gz SEJGIKBZSKPKHL-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO C[NH2+][C@H]1CCN([C@@H](C)c2cccc(OC)c2)C1 ZINC000123188365 386544615 /nfs/dbraw/zinc/54/46/15/386544615.db2.gz CDGJODKQXKYLIJ-AAEUAGOBSA-N 1 0 234.343 2.050 10 0 BEAERO C[C@]1(C(=O)NCCC2CCCC2)CCCC[NH2+]1 ZINC000136167275 386570654 /nfs/dbraw/zinc/57/06/54/386570654.db2.gz WNJWQMFTQIJEME-CQSZACIVSA-N 1 0 238.375 2.215 10 0 BEAERO Cc1cnc(C)c(N[C@@H](C)CCCC[NH3+])n1 ZINC000336646051 386625137 /nfs/dbraw/zinc/62/51/37/386625137.db2.gz DNQXBEBWEUJYDL-VIFPVBQESA-N 1 0 222.336 2.023 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccnc1 ZINC000246390198 386654742 /nfs/dbraw/zinc/65/47/42/386654742.db2.gz CCDMBPWRAJRPRC-GJZGRUSLSA-N 1 0 245.370 2.140 10 0 BEAERO Cn1cccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245782181 386606304 /nfs/dbraw/zinc/60/63/04/386606304.db2.gz HSKFYXDNTJFDAP-MGPQQGTHSA-N 1 0 246.354 2.072 10 0 BEAERO [NH3+][C@@H](Cc1cccnc1)c1cccs1 ZINC000053130855 386664137 /nfs/dbraw/zinc/66/41/37/386664137.db2.gz PNJOOJXMPPETQT-JTQLQIEISA-N 1 0 204.298 2.386 10 0 BEAERO C1CC1N1CCC[C@H]1c1nc([C@H]2CCCO2)no1 ZINC000329572848 386711630 /nfs/dbraw/zinc/71/16/30/386711630.db2.gz JGUFPMHJUJPZSZ-WDEREUQCSA-N 1 0 249.314 2.220 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324958934 386701131 /nfs/dbraw/zinc/70/11/31/386701131.db2.gz JJWZPGMDILWRRK-AWEZNQCLSA-N 1 0 233.359 2.360 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(C)C)cn1 ZINC000336760991 386747596 /nfs/dbraw/zinc/74/75/96/386747596.db2.gz MRRLPVUPSCWTJJ-QWRGUYRKSA-N 1 0 207.321 2.480 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000293248666 386790565 /nfs/dbraw/zinc/79/05/65/386790565.db2.gz LWGOHSVCUCHDMM-WCBMZHEXSA-N 1 0 241.718 2.313 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCc2ccccc21 ZINC000396563875 386778690 /nfs/dbraw/zinc/77/86/90/386778690.db2.gz UXXRFYITSGSQMQ-CQDKDKBSSA-N 1 0 230.355 2.404 10 0 BEAERO CC1([C@H](O)c2ccsc2Cl)C[NH2+]C1 ZINC000575454045 386829922 /nfs/dbraw/zinc/82/99/22/386829922.db2.gz UDMGANLCQDFQQQ-SSDOTTSWSA-N 1 0 217.721 2.044 10 0 BEAERO [NH3+][C@H](CF)c1ccc(Br)cc1 ZINC000071654953 386830662 /nfs/dbraw/zinc/83/06/62/386830662.db2.gz LTQTVYZYSCTZLO-MRVPVSSYSA-N 1 0 218.069 2.418 10 0 BEAERO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](C)O)o1 ZINC000249653420 386839361 /nfs/dbraw/zinc/83/93/61/386839361.db2.gz YVXKRWCRQJNZDW-JQWIXIFHSA-N 1 0 223.316 2.496 10 0 BEAERO COc1ccc([C@@]2([NH3+])CCSC2)s1 ZINC000575454350 386840079 /nfs/dbraw/zinc/84/00/79/386840079.db2.gz VTHNUABLAARKIO-SECBINFHSA-N 1 0 215.343 2.048 10 0 BEAERO C[C@H](C[NH3+])N(C)c1ccc2ccccc2n1 ZINC000125469899 386845946 /nfs/dbraw/zinc/84/59/46/386845946.db2.gz ZKTFFYKQXRQFAD-SNVBAGLBSA-N 1 0 215.300 2.018 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCN1CCC1 ZINC000336762292 386913968 /nfs/dbraw/zinc/91/39/68/386913968.db2.gz NPKICGCSPMIRED-STQMWFEESA-N 1 0 210.365 2.251 10 0 BEAERO C[C@H]1CC(C[NH2+]CC2=CCCOC2)C[C@H](C)O1 ZINC000341473553 386917303 /nfs/dbraw/zinc/91/73/03/386917303.db2.gz VYUOMRSUVGVFFD-RYUDHWBXSA-N 1 0 239.359 2.126 10 0 BEAERO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)cn1 ZINC000116288927 386930554 /nfs/dbraw/zinc/93/05/54/386930554.db2.gz JFDJPVVJHBYAPP-GFCCVEGCSA-N 1 0 231.299 2.350 10 0 BEAERO CC1(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)CCC1 ZINC000398711688 386962981 /nfs/dbraw/zinc/96/29/81/386962981.db2.gz CYIMUOAJYYMYIK-RWMBFGLXSA-N 1 0 223.360 2.269 10 0 BEAERO CC[C@H](C)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398734335 386975255 /nfs/dbraw/zinc/97/52/55/386975255.db2.gz DAEZHTYYPRNMQZ-CYDGBPFRSA-N 1 0 211.349 2.125 10 0 BEAERO CCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398738842 386980218 /nfs/dbraw/zinc/98/02/18/386980218.db2.gz FLALUBCWFDWQDG-CYDGBPFRSA-N 1 0 211.349 2.268 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2C1 ZINC000398739549 386980461 /nfs/dbraw/zinc/98/04/61/386980461.db2.gz OQFXUSQBMKCNMD-BFHYXJOUSA-N 1 0 223.360 2.269 10 0 BEAERO CCCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398849401 387008702 /nfs/dbraw/zinc/00/87/02/387008702.db2.gz MEVUVSJJXWAPIN-AVGNSLFASA-N 1 0 211.349 2.269 10 0 BEAERO CCCCC[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000117880061 387030976 /nfs/dbraw/zinc/03/09/76/387030976.db2.gz OTNJEGGTXMEENO-CQSZACIVSA-N 1 0 242.407 2.219 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C12CCCC2 ZINC000107282221 387031252 /nfs/dbraw/zinc/03/12/52/387031252.db2.gz ZVTWRNPATYORKH-SNVBAGLBSA-N 1 0 240.347 2.267 10 0 BEAERO FC(F)(F)c1cc(C2C[NH2+]C2)cs1 ZINC000575460766 387038382 /nfs/dbraw/zinc/03/83/82/387038382.db2.gz UIIXVHTWCXEACF-UHFFFAOYSA-N 1 0 207.220 2.454 10 0 BEAERO C[NH2+][C@H](c1cccs1)c1ccccn1 ZINC000040237893 387042325 /nfs/dbraw/zinc/04/23/25/387042325.db2.gz NZOUITBVEFJYKL-NSHDSACASA-N 1 0 204.298 2.452 10 0 BEAERO C[C@@H](C[NH3+])CNc1cc(C(F)(F)F)ccn1 ZINC000085486560 387062914 /nfs/dbraw/zinc/06/29/14/387062914.db2.gz VHCVGVFEDWFSFQ-ZETCQYMHSA-N 1 0 233.237 2.107 10 0 BEAERO Cc1ccc(CN2Cc3ccoc3C[C@H]2CO)o1 ZINC000575407913 387010621 /nfs/dbraw/zinc/01/06/21/387010621.db2.gz PHFPJLMJMWWSKI-LBPRGKRZSA-N 1 0 247.294 2.100 10 0 BEAERO C[NH2+][C@H]1CCCN([C@H](C)c2cccc(OC)c2)C1 ZINC000053201263 387019934 /nfs/dbraw/zinc/01/99/34/387019934.db2.gz UGSXCGCEIKEEMD-OCCSQVGLSA-N 1 0 248.370 2.440 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1c(F)ccc(F)c1Cl ZINC000575457929 387022728 /nfs/dbraw/zinc/02/27/28/387022728.db2.gz MHTLCJWZQUAPOO-MHTLYPKNSA-N 1 0 203.619 2.433 10 0 BEAERO Cc1ncc([C@@H]([NH3+])[C@H]2CCCS2)s1 ZINC000575456201 387027534 /nfs/dbraw/zinc/02/75/34/387027534.db2.gz GCYKARIWIUZKIW-APPZFPTMSA-N 1 0 214.359 2.347 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C[C@H](C)O1 ZINC000418051677 387071691 /nfs/dbraw/zinc/07/16/91/387071691.db2.gz YZPBTYDIFXMAMV-RNJOBUHISA-N 1 0 241.375 2.347 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2ccco2)C1 ZINC000228275963 387086258 /nfs/dbraw/zinc/08/62/58/387086258.db2.gz OIVJWASEHOGFHN-DGCLKSJQSA-N 1 0 222.332 2.098 10 0 BEAERO Cc1ncsc1[C@@H](F)[C@@H]1CCC[NH2+]1 ZINC000575469243 387089355 /nfs/dbraw/zinc/08/93/55/387089355.db2.gz OQZZUCYQDRIPSA-YUMQZZPRSA-N 1 0 200.282 2.214 10 0 BEAERO CCOc1cc([C@@H]([NH3+])CCF)ccc1OC ZINC000575438162 387105368 /nfs/dbraw/zinc/10/53/68/387105368.db2.gz DPMZVGBFOZUTGT-JTQLQIEISA-N 1 0 227.279 2.453 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000228687499 387105959 /nfs/dbraw/zinc/10/59/59/387105959.db2.gz FITMXIPXAMQNST-HZSPNIEDSA-N 1 0 223.360 2.483 10 0 BEAERO COc1cc(O)ccc1[C@H]([NH3+])CC(F)F ZINC000575437607 387109327 /nfs/dbraw/zinc/10/93/27/387109327.db2.gz JTGZTXQKOQWDII-MRVPVSSYSA-N 1 0 217.215 2.056 10 0 BEAERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000335026022 387118251 /nfs/dbraw/zinc/11/82/51/387118251.db2.gz ROWMZQGDORMZHJ-CHWSQXEVSA-N 1 0 209.333 2.430 10 0 BEAERO [NH3+][C@@H](CCF)c1cc(F)c(F)c(F)c1 ZINC000575439128 387121070 /nfs/dbraw/zinc/12/10/70/387121070.db2.gz QAYVJIVLGYMAFH-QMMMGPOBSA-N 1 0 207.170 2.463 10 0 BEAERO COc1cccc([C@@H]([NH3+])CCF)c1OC ZINC000575439029 387121529 /nfs/dbraw/zinc/12/15/29/387121529.db2.gz ONKPMBAHIOGEOX-VIFPVBQESA-N 1 0 213.252 2.063 10 0 BEAERO CC[C@@H](C)[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000119336387 387122268 /nfs/dbraw/zinc/12/22/68/387122268.db2.gz RGVUJLSNSXKOAD-RDBSUJKOSA-N 1 0 241.375 2.445 10 0 BEAERO CCOc1cc([C@@H]([NH3+])CC(F)F)ccc1O ZINC000575439136 387122390 /nfs/dbraw/zinc/12/23/90/387122390.db2.gz PIQRRAGZVVXDDW-QMMMGPOBSA-N 1 0 231.242 2.446 10 0 BEAERO COc1cc([C@@H]([NH3+])CCF)ccc1F ZINC000575439947 387125287 /nfs/dbraw/zinc/12/52/87/387125287.db2.gz ZADUDYGEVCGTMY-VIFPVBQESA-N 1 0 201.216 2.194 10 0 BEAERO COc1ccc(F)c([C@H]([NH3+])CCF)c1 ZINC000575439865 387126230 /nfs/dbraw/zinc/12/62/30/387126230.db2.gz YWUWNPQUOWXNIZ-SNVBAGLBSA-N 1 0 201.216 2.194 10 0 BEAERO [NH3+][C@@H](CC(F)F)c1ccc(O)c(F)c1 ZINC000575438475 387129648 /nfs/dbraw/zinc/12/96/48/387129648.db2.gz LAGWQVDQFJTPFK-ZETCQYMHSA-N 1 0 205.179 2.186 10 0 BEAERO Fc1ccc2[nH]c([C@H]3CC[NH2+]C3)cc2c1 ZINC000082927884 387153587 /nfs/dbraw/zinc/15/35/87/387153587.db2.gz VCWHQKKPAQJUJW-QMMMGPOBSA-N 1 0 204.248 2.384 10 0 BEAERO CC[C@H]1C[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000238313840 387157882 /nfs/dbraw/zinc/15/78/82/387157882.db2.gz QOHJMMANTRSXCD-GXFFZTMASA-N 1 0 205.301 2.408 10 0 BEAERO [NH3+]C[C@@H]1CCC2(CCC(F)(F)CC2)O1 ZINC000536950637 387162368 /nfs/dbraw/zinc/16/23/68/387162368.db2.gz QGIUBDUKXMHEQO-QMMMGPOBSA-N 1 0 205.248 2.072 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])CN1C/C(Cl)=C\Cl ZINC000575480079 387170224 /nfs/dbraw/zinc/17/02/24/387170224.db2.gz GZNXSYHLRORWIV-HFBYHIIMSA-N 1 0 223.147 2.117 10 0 BEAERO CC(C)=C[C@@H]([NH3+])c1c(Br)cnn1C ZINC000575482165 387180933 /nfs/dbraw/zinc/18/09/33/387180933.db2.gz JWYAGAKLGMJQMN-MRVPVSSYSA-N 1 0 244.136 2.149 10 0 BEAERO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c(C)n1 ZINC000187496003 387200472 /nfs/dbraw/zinc/20/04/72/387200472.db2.gz NAIFCSMVIOXLCB-OCCSQVGLSA-N 1 0 234.343 2.356 10 0 BEAERO [NH3+]C1CC(C(=O)c2sccc2Cl)C1 ZINC000575487228 387256360 /nfs/dbraw/zinc/25/63/60/387256360.db2.gz RNYRUNILQGJFNU-UHFFFAOYSA-N 1 0 215.705 2.322 10 0 BEAERO C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1CC=CCC1 ZINC000120652183 387260139 /nfs/dbraw/zinc/26/01/39/387260139.db2.gz RGXSZCOCXAEWHN-GFCCVEGCSA-N 1 0 238.375 2.189 10 0 BEAERO Cc1ccc(Br)c2c1C[NH2+]CCO2 ZINC000575493405 387273147 /nfs/dbraw/zinc/27/31/47/387273147.db2.gz BWSKYVHOFZHZMC-UHFFFAOYSA-N 1 0 242.116 2.240 10 0 BEAERO CCC[C@H]1CCC[N@H+](CCC(=O)NC(C)C)C1 ZINC000120823427 387276110 /nfs/dbraw/zinc/27/61/10/387276110.db2.gz JEDPTZONWVYAGA-ZDUSSCGKSA-N 1 0 240.391 2.413 10 0 BEAERO CSCCC[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000389710062 387285202 /nfs/dbraw/zinc/28/52/02/387285202.db2.gz MDJYUUHBTAGAMA-RYUDHWBXSA-N 1 0 231.405 2.222 10 0 BEAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000353896112 387291857 /nfs/dbraw/zinc/29/18/57/387291857.db2.gz DWODXIZWHYBWHC-UONOGXRCSA-N 1 0 245.322 2.458 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000392858731 387293404 /nfs/dbraw/zinc/29/34/04/387293404.db2.gz IFLNAGSXFXHWTM-WCQYABFASA-N 1 0 236.359 2.134 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)[C@@H]1C ZINC000392855854 387294143 /nfs/dbraw/zinc/29/41/43/387294143.db2.gz AXSZXPHYUWLEMK-NAWOPXAZSA-N 1 0 238.375 2.068 10 0 BEAERO CCCC[C@H](CC)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392873128 387296047 /nfs/dbraw/zinc/29/60/47/387296047.db2.gz FJRNMEODOLIZED-FRRDWIJNSA-N 1 0 240.391 2.460 10 0 BEAERO C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]1O ZINC000226277696 387298408 /nfs/dbraw/zinc/29/84/08/387298408.db2.gz XHDOPRAORYBGNS-GHMZBOCLSA-N 1 0 211.330 2.093 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000321758412 387301143 /nfs/dbraw/zinc/30/11/43/387301143.db2.gz CFNNFXZCXLOTPP-RNJOBUHISA-N 1 0 210.365 2.105 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)[C@H](C)C1 ZINC000392940379 387303627 /nfs/dbraw/zinc/30/36/27/387303627.db2.gz OXNOIBVHNLSUAC-NAWOPXAZSA-N 1 0 238.375 2.068 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160573882 387305871 /nfs/dbraw/zinc/30/58/71/387305871.db2.gz QPOJDJFRQPEENE-XCBNKYQSSA-N 1 0 241.132 2.342 10 0 BEAERO O[C@@H]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000575601848 387368952 /nfs/dbraw/zinc/36/89/52/387368952.db2.gz GHEHQDLOWARYEX-DTWKUNHWSA-N 1 0 202.257 2.191 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2sccc2Cl)C1 ZINC000575506955 387375524 /nfs/dbraw/zinc/37/55/24/387375524.db2.gz DQRRWEXVXTXTPY-FSPLSTOPSA-N 1 0 203.694 2.190 10 0 BEAERO C[NH2+][C@H]1CO[C@@H](c2cc(Cl)cs2)C1 ZINC000575507160 387375551 /nfs/dbraw/zinc/37/55/51/387375551.db2.gz KCFBYYIHFRYAIX-HTQZYQBOSA-N 1 0 217.721 2.451 10 0 BEAERO C[C@H]1CC[N@@H+]([C@@H]2CCCCC2=O)CCS1 ZINC000306555436 387342793 /nfs/dbraw/zinc/34/27/93/387342793.db2.gz LUHRFWCGSBLWLN-WDEREUQCSA-N 1 0 227.373 2.326 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000575499810 387344550 /nfs/dbraw/zinc/34/45/50/387344550.db2.gz OSRPPMRKRKLQPS-CHWSQXEVSA-N 1 0 229.327 2.053 10 0 BEAERO C[C@@H]1[C@H]([NH3+])C[C@H]1c1ccc(Br)cn1 ZINC000575500483 387352084 /nfs/dbraw/zinc/35/20/84/387352084.db2.gz SCUKKQMOIVPIIL-NBEYISGCSA-N 1 0 241.132 2.295 10 0 BEAERO C[C@H]1CS[C@]2(CCCSCC2)[NH2+]1 ZINC000575518008 387434531 /nfs/dbraw/zinc/43/45/31/387434531.db2.gz JAZWLXJGWSFRCI-IUCAKERBSA-N 1 0 203.376 2.325 10 0 BEAERO N[C@H](C[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000035677080 387437222 /nfs/dbraw/zinc/43/72/22/387437222.db2.gz GNOKAQKANCBPMK-CQSZACIVSA-N 1 0 212.296 2.312 10 0 BEAERO CCOc1cc(OCC)c(C[NH3+])cc1C ZINC000575721883 387445119 /nfs/dbraw/zinc/44/51/19/387445119.db2.gz YJWXKQYCGVYMIQ-UHFFFAOYSA-N 1 0 209.289 2.251 10 0 BEAERO CC[C@@H]([NH3+])CNc1ccnc(C(F)(F)F)c1 ZINC000304313078 387462340 /nfs/dbraw/zinc/46/23/40/387462340.db2.gz QUGOUONLPKETLF-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO C[N@H+](CCCCO)C[C@H]1Cc2ccccc21 ZINC000287559442 387458512 /nfs/dbraw/zinc/45/85/12/387458512.db2.gz BCWUCFJRNNTOMT-CYBMUJFWSA-N 1 0 219.328 2.031 10 0 BEAERO Cc1c[nH+]ccc1NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336617477 387459239 /nfs/dbraw/zinc/45/92/39/387459239.db2.gz DFZKVRLIZMITMN-CLLJXQQHSA-N 1 0 234.343 2.427 10 0 BEAERO C[C@]1(C(=O)NCc2ccccc2)CCCC[C@@H]1[NH3+] ZINC000575513251 387385242 /nfs/dbraw/zinc/38/52/42/387385242.db2.gz HJPPRGKXVHWXBX-ZFWWWQNUSA-N 1 0 246.354 2.210 10 0 BEAERO O[C@@H](c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000575512769 387385407 /nfs/dbraw/zinc/38/54/07/387385407.db2.gz AXCLQDLJARAKFS-HZGVNTEJSA-N 1 0 217.721 2.044 10 0 BEAERO O[C@@H](c1ccsc1Cl)[C@H]1CC[NH2+]C1 ZINC000575513562 387386735 /nfs/dbraw/zinc/38/67/35/387386735.db2.gz GDIYGLUAOTWSLW-POYBYMJQSA-N 1 0 217.721 2.044 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2cccc(Br)c2)C1 ZINC000575508727 387391725 /nfs/dbraw/zinc/39/17/25/387391725.db2.gz OAKUKSVXDBNLPI-UWVGGRQHSA-N 1 0 242.116 2.238 10 0 BEAERO Cc1nnc(SC[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000306570201 387396904 /nfs/dbraw/zinc/39/69/04/387396904.db2.gz YDHYMEFTVFDNIM-SFYZADRCSA-N 1 0 229.374 2.066 10 0 BEAERO CC[C@@H](C)[N@H+](CCO)C[C@H]1Cc2ccccc21 ZINC000287279954 387403271 /nfs/dbraw/zinc/40/32/71/387403271.db2.gz IBRITNOHEUQTFW-TZMCWYRMSA-N 1 0 233.355 2.419 10 0 BEAERO CC(=O)CCN1CCC[C@@H]1c1nccs1 ZINC000373972168 387409725 /nfs/dbraw/zinc/40/97/25/387409725.db2.gz BJGSIZLBNJXHIT-SNVBAGLBSA-N 1 0 224.329 2.259 10 0 BEAERO CC(C)[C@H](O)C[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000374087137 387418052 /nfs/dbraw/zinc/41/80/52/387418052.db2.gz APKXHIZFRVBTKN-FRRDWIJNSA-N 1 0 211.349 2.268 10 0 BEAERO CCC1([NH2+]Cc2csc(COC)n2)CC1 ZINC000648684224 387498020 /nfs/dbraw/zinc/49/80/20/387498020.db2.gz KVPCSEMQQZNUGJ-UHFFFAOYSA-N 1 0 226.345 2.322 10 0 BEAERO C[C@@H]([NH3+])c1ncc(Br)cc1F ZINC000044138858 387511207 /nfs/dbraw/zinc/51/12/07/387511207.db2.gz YONGCPHDYMOYJJ-SCSAIBSYSA-N 1 0 219.057 2.003 10 0 BEAERO CC(C)CC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000123526764 387586046 /nfs/dbraw/zinc/58/60/46/387586046.db2.gz DFVIFZZMXXCTMM-UHFFFAOYSA-N 1 0 232.327 2.317 10 0 BEAERO Br/C=C1/CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000575543836 387592206 /nfs/dbraw/zinc/59/22/06/387592206.db2.gz BALBKHUDFDBXQW-IUYFFOMESA-N 1 0 216.122 2.285 10 0 BEAERO C/C(=C\Br)[C@H]1CCCC[NH2+]1 ZINC000575545577 387628648 /nfs/dbraw/zinc/62/86/48/387628648.db2.gz MPBHJBWAXICQGP-HYDMIIDASA-N 1 0 204.111 2.427 10 0 BEAERO C/C(=C\Br)[C@@H]1CCCC[NH2+]1 ZINC000575545576 387629019 /nfs/dbraw/zinc/62/90/19/387629019.db2.gz MPBHJBWAXICQGP-CZEYKFRCSA-N 1 0 204.111 2.427 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000122581759 387552335 /nfs/dbraw/zinc/55/23/35/387552335.db2.gz UXQKSRPBQMKHOO-LOWDOPEQSA-N 1 0 229.364 2.061 10 0 BEAERO C[C@H]([NH2+]CC1CC1)c1nnc2n1CCCCC2 ZINC000037140769 387560341 /nfs/dbraw/zinc/56/03/41/387560341.db2.gz BTETWMLUGWPNFP-JTQLQIEISA-N 1 0 234.347 2.065 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccn1 ZINC000037889250 387566582 /nfs/dbraw/zinc/56/65/82/387566582.db2.gz YJMKRUFZKGKVOS-YUTCNCBUSA-N 1 0 234.343 2.426 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccnc1 ZINC000037889102 387568297 /nfs/dbraw/zinc/56/82/97/387568297.db2.gz KPGRJYWKXIZNBH-YUTCNCBUSA-N 1 0 234.343 2.426 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284198485 387576839 /nfs/dbraw/zinc/57/68/39/387576839.db2.gz BPJZJYPCCVRPDD-ZYHUDNBSSA-N 1 0 249.358 2.041 10 0 BEAERO OCC[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000336717929 387579466 /nfs/dbraw/zinc/57/94/66/387579466.db2.gz UUEOQMHUPFTMCD-UONOGXRCSA-N 1 0 231.339 2.173 10 0 BEAERO C[C@@]([NH3+])(c1ccc(Br)cn1)C1CC1 ZINC000575556066 387694340 /nfs/dbraw/zinc/69/43/40/387694340.db2.gz NMLLTUXMALFQPO-JTQLQIEISA-N 1 0 241.132 2.428 10 0 BEAERO CSCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124922125 387636200 /nfs/dbraw/zinc/63/62/00/387636200.db2.gz VZPHDEQPNCSYLF-XQQFMLRXSA-N 1 0 243.416 2.365 10 0 BEAERO [NH3+]C1(Cc2sccc2Cl)CSC1 ZINC000575550323 387644427 /nfs/dbraw/zinc/64/44/27/387644427.db2.gz SJRPSKSPFHVBDE-UHFFFAOYSA-N 1 0 219.762 2.388 10 0 BEAERO [NH3+]C1(c2sccc2Cl)CSC1 ZINC000575548268 387645657 /nfs/dbraw/zinc/64/56/57/387645657.db2.gz CKKSJOMOQUCQII-UHFFFAOYSA-N 1 0 205.735 2.302 10 0 BEAERO COC1CC([NH3+])(c2ccsc2Cl)C1 ZINC000575557906 387695413 /nfs/dbraw/zinc/69/54/13/387695413.db2.gz AKMBFSOWZNFINP-UHFFFAOYSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CCC[NH2+]C1 ZINC000643491397 387665316 /nfs/dbraw/zinc/66/53/16/387665316.db2.gz IFZHQBOGAVOCSK-ZJUUUORDSA-N 1 0 220.307 2.009 10 0 BEAERO CC1(C)CCC([NH2+]CCCn2ccnn2)CC1 ZINC000126406039 387683753 /nfs/dbraw/zinc/68/37/53/387683753.db2.gz IVJFHBJQXCQNIH-UHFFFAOYSA-N 1 0 236.363 2.227 10 0 BEAERO CCOC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000126688607 387691796 /nfs/dbraw/zinc/69/17/96/387691796.db2.gz PCQSGMCJIXLBGY-FUDCBSFHSA-N 1 0 240.391 2.016 10 0 BEAERO CCOC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000126688343 387692309 /nfs/dbraw/zinc/69/23/09/387692309.db2.gz PCQSGMCJIXLBGY-RLAWYHOSSA-N 1 0 240.391 2.016 10 0 BEAERO Cc1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)o1 ZINC000128404587 387745015 /nfs/dbraw/zinc/74/50/15/387745015.db2.gz JJMVSTBDYXZBBQ-GFCCVEGCSA-N 1 0 245.326 2.311 10 0 BEAERO CC(C)(C)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128502738 387747955 /nfs/dbraw/zinc/74/79/55/387747955.db2.gz MYIIXARGRAUMMC-LBPRGKRZSA-N 1 0 236.363 2.036 10 0 BEAERO Cc1cc([C@@]2([NH3+])CS[C@H](C)C2)sn1 ZINC000575572818 387749200 /nfs/dbraw/zinc/74/92/00/387749200.db2.gz QOMMISYIFJATOD-APPZFPTMSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@H]1OCC[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000575560690 387698005 /nfs/dbraw/zinc/69/80/05/387698005.db2.gz LKZHTBPBOVNCGZ-MUWHJKNJSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H]1OCC[C@]1([NH3+])c1ccc(Cl)s1 ZINC000575560687 387699463 /nfs/dbraw/zinc/69/94/63/387699463.db2.gz LKZHTBPBOVNCGZ-HZGVNTEJSA-N 1 0 217.721 2.364 10 0 BEAERO C/C(=C/c1ccncc1Br)C[NH3+] ZINC000575562944 387704523 /nfs/dbraw/zinc/70/45/23/387704523.db2.gz GZDCBRJACFGMLC-DAXSKMNVSA-N 1 0 227.105 2.206 10 0 BEAERO c1ccc(C2(CN[C@@H]3CC[NH2+]C3)CCCC2)cc1 ZINC000422807589 387706481 /nfs/dbraw/zinc/70/64/81/387706481.db2.gz JYKNWXLYICVJSJ-OAHLLOKOSA-N 1 0 244.382 2.450 10 0 BEAERO CC[C@H]1CCC[C@@H]1[NH2+]CCn1cc(C)cn1 ZINC000127258043 387709387 /nfs/dbraw/zinc/70/93/87/387709387.db2.gz CCWYQQQFJCUFHB-STQMWFEESA-N 1 0 221.348 2.360 10 0 BEAERO CCC[C@@H]([NH2+]CC[C@@H](C)O)c1ccccn1 ZINC000127537135 387716419 /nfs/dbraw/zinc/71/64/19/387716419.db2.gz SNNGWOQYEKONAS-VXGBXAGGSA-N 1 0 222.332 2.283 10 0 BEAERO Cc1ncc([C@@]2([NH3+])CCS[C@@H]2C)s1 ZINC000575571393 387738119 /nfs/dbraw/zinc/73/81/19/387738119.db2.gz UZKAKMVCDADOMK-HZGVNTEJSA-N 1 0 214.359 2.131 10 0 BEAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050393723 387793470 /nfs/dbraw/zinc/79/34/70/387793470.db2.gz IUWSHCKIAABVDD-BXUZGUMPSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]1CCCCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000528017898 387825645 /nfs/dbraw/zinc/82/56/45/387825645.db2.gz JEHMVKPRTLRERN-IKWCTNDRSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1cc(C)c([C@@]2(C)OC[C@@H](C[NH3+])O2)c(C)c1 ZINC000049827654 177872859 /nfs/dbraw/zinc/87/28/59/177872859.db2.gz NEQHNRIKGOCZSL-OCCSQVGLSA-N 1 0 235.327 2.159 10 0 BEAERO CC[C@H](NC1CCC([NH3+])CC1)C(F)(F)F ZINC000423068675 387872068 /nfs/dbraw/zinc/87/20/68/387872068.db2.gz KLHRHKSLFUUCMI-HACHORDNSA-N 1 0 224.270 2.187 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000393215242 387876699 /nfs/dbraw/zinc/87/66/99/387876699.db2.gz PHYAQJACZFOLKE-GRYCIOLGSA-N 1 0 229.389 2.143 10 0 BEAERO Cc1cc(C)c(C2(O)CC[NH2+]CC2)cc1C ZINC000006737434 177856238 /nfs/dbraw/zinc/85/62/38/177856238.db2.gz ZNKXWRLSHSPPSL-UHFFFAOYSA-N 1 0 219.328 2.183 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000195219554 387910103 /nfs/dbraw/zinc/91/01/03/387910103.db2.gz ATQHXNQQTLCGKU-CYBMUJFWSA-N 1 0 241.375 2.040 10 0 BEAERO Cc1cc(C)c(C)c(OCCC(N)=[NH2+])c1 ZINC000034940049 177852843 /nfs/dbraw/zinc/85/28/43/177852843.db2.gz JIQLSLYCIOSTDQ-UHFFFAOYSA-N 1 0 206.289 2.317 10 0 BEAERO C(C1CCCC1)[N@@H+]1CCCN(C2CC2)CC1 ZINC000195337283 387919925 /nfs/dbraw/zinc/91/99/25/387919925.db2.gz JXZIFIPYUDMPRM-UHFFFAOYSA-N 1 0 222.376 2.347 10 0 BEAERO Cl/C=C/C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195513416 387923308 /nfs/dbraw/zinc/92/33/08/387923308.db2.gz KRJYFHVDNRFBKO-ORCRQEGFSA-N 1 0 225.723 2.342 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1=CCCC1 ZINC000645802695 387940368 /nfs/dbraw/zinc/94/03/68/387940368.db2.gz GGRPFXKIXUMYMC-JSGCOSHPSA-N 1 0 220.360 2.265 10 0 BEAERO Cc1cc(C(F)(F)F)nn1[C@@H](C)CC[NH3+] ZINC000020313498 177831818 /nfs/dbraw/zinc/83/18/18/177831818.db2.gz YZVOXPNZXMGFGM-LURJTMIESA-N 1 0 221.226 2.120 10 0 BEAERO COC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000245461986 387947404 /nfs/dbraw/zinc/94/74/04/387947404.db2.gz WRVMWWPXRBFTES-MNOVXSKESA-N 1 0 209.289 2.451 10 0 BEAERO C[C@@H]([NH3+])c1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000053994558 387975682 /nfs/dbraw/zinc/97/56/82/387975682.db2.gz CUASCTAGWGEWSG-MNOVXSKESA-N 1 0 245.326 2.235 10 0 BEAERO CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000245855525 387987850 /nfs/dbraw/zinc/98/78/50/387987850.db2.gz OJZMSKGYVKCORR-UBHSHLNASA-N 1 0 246.354 2.204 10 0 BEAERO C[C@@H]1C[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)CCS1 ZINC000245856620 387988757 /nfs/dbraw/zinc/98/87/57/387988757.db2.gz NRJBWVMLOLHGON-SWHYSGLUSA-N 1 0 249.379 2.082 10 0 BEAERO CC[N@@H+](CC(=O)NC(C)(C)CC)CC(C)C ZINC000046064488 388007708 /nfs/dbraw/zinc/00/77/08/388007708.db2.gz LCVVAQKPWSVKRR-UHFFFAOYSA-N 1 0 228.380 2.269 10 0 BEAERO c1ncn(C[C@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)n1 ZINC000246255647 388024530 /nfs/dbraw/zinc/02/45/30/388024530.db2.gz MSHIHNRAEQTSOW-UONOGXRCSA-N 1 0 246.358 2.099 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246158342 388013813 /nfs/dbraw/zinc/01/38/13/388013813.db2.gz CYFBZMUHLCLXQH-VXGBXAGGSA-N 1 0 221.348 2.256 10 0 BEAERO CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1CC ZINC000246154264 388015244 /nfs/dbraw/zinc/01/52/44/388015244.db2.gz CNXYEIMDAGECST-CHWSQXEVSA-N 1 0 212.381 2.449 10 0 BEAERO CCOCCN1CC[N@H+](C[C@H](C)CC)C[C@@H]1C ZINC000246174834 388016550 /nfs/dbraw/zinc/01/65/50/388016550.db2.gz FZVRRBFYSVOLGY-KGLIPLIRSA-N 1 0 242.407 2.075 10 0 BEAERO CCCCOCCC[NH2+]Cc1cnn(C)c1C ZINC000159555889 388020520 /nfs/dbraw/zinc/02/05/20/388020520.db2.gz PVLMIIDSQAUNMY-UHFFFAOYSA-N 1 0 239.363 2.025 10 0 BEAERO CC[N@@H+]1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000246200390 388020600 /nfs/dbraw/zinc/02/06/00/388020600.db2.gz BBBPKCLMMDMKGB-UONOGXRCSA-N 1 0 247.338 2.285 10 0 BEAERO C1=C(CN2CC[N@@H+]3CCCC[C@H]3C2)CCC1 ZINC000645828807 388040912 /nfs/dbraw/zinc/04/09/12/388040912.db2.gz AYEBEUVOUCRUNN-AWEZNQCLSA-N 1 0 220.360 2.267 10 0 BEAERO CC[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000083423604 388051985 /nfs/dbraw/zinc/05/19/85/388051985.db2.gz YIYKVCOXOHAFIS-CQSZACIVSA-N 1 0 219.328 2.380 10 0 BEAERO Clc1ccc2c(c1)N[C@@H]1CC[NH2+]C[C@@H]21 ZINC000071484570 388095501 /nfs/dbraw/zinc/09/55/01/388095501.db2.gz WYZHKRBFEWYMLL-VHSXEESVSA-N 1 0 208.692 2.211 10 0 BEAERO Cc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)c(C)c1 ZINC000071510667 388096374 /nfs/dbraw/zinc/09/63/74/388096374.db2.gz JWKRVXQHNUPVLP-CHWSQXEVSA-N 1 0 207.317 2.320 10 0 BEAERO Cc1cc(C)c(C)c([C@@H](O)[C@H](C)[NH3+])c1C ZINC000071510749 388096553 /nfs/dbraw/zinc/09/65/53/388096553.db2.gz VHYBPWKHGQEMRG-AAEUAGOBSA-N 1 0 207.317 2.301 10 0 BEAERO Cc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000071510668 388096556 /nfs/dbraw/zinc/09/65/56/388096556.db2.gz JWKRVXQHNUPVLP-STQMWFEESA-N 1 0 207.317 2.320 10 0 BEAERO C[C@@H](C[NH3+])Sc1ccc(Cl)cn1 ZINC000070615325 388096912 /nfs/dbraw/zinc/09/69/12/388096912.db2.gz KHOKWHMOBHIAQI-LURJTMIESA-N 1 0 202.710 2.174 10 0 BEAERO CC(C)[C@H]([NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000071522138 388097422 /nfs/dbraw/zinc/09/74/22/388097422.db2.gz MBEDDSTWDAYQMU-DTWKUNHWSA-N 1 0 219.737 2.418 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C(C)C)C1CCC1 ZINC000195189421 388115820 /nfs/dbraw/zinc/11/58/20/388115820.db2.gz DRUDBWHUDXVAHC-AWEZNQCLSA-N 1 0 243.391 2.427 10 0 BEAERO Cc1[nH]c(N)[nH+]c1-c1ccc(F)c(C)c1 ZINC000082532299 388121085 /nfs/dbraw/zinc/12/10/85/388121085.db2.gz YRQQWHINKUCDRG-UHFFFAOYSA-N 1 0 205.236 2.415 10 0 BEAERO Cc1[nH]c(N)[nH+]c1-c1ccc(F)c(F)c1 ZINC000082533187 388121480 /nfs/dbraw/zinc/12/14/80/388121480.db2.gz ZPHREPIHIWAMPL-UHFFFAOYSA-N 1 0 209.199 2.246 10 0 BEAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cncs1 ZINC000164043615 388138566 /nfs/dbraw/zinc/13/85/66/388138566.db2.gz IZCZVNFQYXZTBH-SCZZXKLOSA-N 1 0 228.361 2.201 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000165051858 388250362 /nfs/dbraw/zinc/25/03/62/388250362.db2.gz LQAULZROQFBQAF-ONGXEEELSA-N 1 0 239.388 2.487 10 0 BEAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)C(N)=O)cc1 ZINC000038386213 322813840 /nfs/dbraw/zinc/81/38/40/322813840.db2.gz UUZNJWGRKGDDDT-RYUDHWBXSA-N 1 0 248.370 2.410 10 0 BEAERO CC(C)OC1CC([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000186552734 256618354 /nfs/dbraw/zinc/61/83/54/256618354.db2.gz HWRYFCFZGAUASQ-WTIISPKJSA-N 1 0 227.348 2.100 10 0 BEAERO F[C@@H](c1cncs1)[C@H]1CCC[NH2+]C1 ZINC000575518686 388356046 /nfs/dbraw/zinc/35/60/46/388356046.db2.gz PXSPMWTXCOVOMF-IONNQARKSA-N 1 0 200.282 2.153 10 0 BEAERO C[C@H]1C[C@@](F)(c2cncs2)CC[NH2+]1 ZINC000575518955 388356518 /nfs/dbraw/zinc/35/65/18/388356518.db2.gz XAPQEXHGWQGVEV-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1C[C@H]1C ZINC000322219489 388369622 /nfs/dbraw/zinc/36/96/22/388369622.db2.gz WTKRZSYQBLVSST-WYUUTHIRSA-N 1 0 213.365 2.418 10 0 BEAERO Cc1cnc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)o1 ZINC000229726652 388397463 /nfs/dbraw/zinc/39/74/63/388397463.db2.gz UJBZIRGSKUVYBT-WCQYABFASA-N 1 0 249.358 2.042 10 0 BEAERO C[C@@](O)(C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000071543386 388444844 /nfs/dbraw/zinc/44/48/44/388444844.db2.gz XTUGPMLWOTXYDD-JTQLQIEISA-N 1 0 234.126 2.246 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2ccc(Br)s2)C1 ZINC000575507946 388474421 /nfs/dbraw/zinc/47/44/21/388474421.db2.gz JHCLPPWHFSSSCV-WDSKDSINSA-N 1 0 248.145 2.299 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1ccccc1 ZINC000295024021 388407373 /nfs/dbraw/zinc/40/73/73/388407373.db2.gz NKUHBDHBZAIKQD-GXTWGEPZSA-N 1 0 219.328 2.074 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ncnc2ccsc21 ZINC000165745938 388409868 /nfs/dbraw/zinc/40/98/68/388409868.db2.gz AMZKFEBRRFHONL-YUMQZZPRSA-N 1 0 236.344 2.229 10 0 BEAERO CC(C)c1cc(N[C@H](C)C[C@@H](C)[NH3+])ncn1 ZINC000165752370 388410397 /nfs/dbraw/zinc/41/03/97/388410397.db2.gz ZYFWVGVXGFVASC-NXEZZACHSA-N 1 0 222.336 2.138 10 0 BEAERO CCc1csc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000165760329 388411336 /nfs/dbraw/zinc/41/13/36/388411336.db2.gz ORRVUNUTKDHBSN-HTQZYQBOSA-N 1 0 213.350 2.243 10 0 BEAERO CC[C@H]([NH2+]C(COC)COC)[C@H]1CC1(C)C ZINC000397689472 388412990 /nfs/dbraw/zinc/41/29/90/388412990.db2.gz MSQXYHUDVUHUSL-NEPJUHHUSA-N 1 0 229.364 2.062 10 0 BEAERO Cc1cnc(C[NH2+]C[C@H]2CCCC[C@H]2O)s1 ZINC000295790474 388414571 /nfs/dbraw/zinc/41/45/71/388414571.db2.gz SCIORTSIUVHWGL-GHMZBOCLSA-N 1 0 240.372 2.092 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1C=CCCCCC1 ZINC000339156499 388479541 /nfs/dbraw/zinc/47/95/41/388479541.db2.gz GEFIHEGNURRKDK-XQQFMLRXSA-N 1 0 236.359 2.132 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000520841162 388546784 /nfs/dbraw/zinc/54/67/84/388546784.db2.gz HJBWUFUSCYEKTQ-GFCCVEGCSA-N 1 0 219.332 2.114 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000135282016 388489089 /nfs/dbraw/zinc/48/90/89/388489089.db2.gz WZTYJBVXHGUXAG-FRRDWIJNSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000342603246 388498171 /nfs/dbraw/zinc/49/81/71/388498171.db2.gz XANXICZOOMVMKI-WOPDTQHZSA-N 1 0 240.391 2.458 10 0 BEAERO CC[C@H]([NH2+]CCc1nc(C)no1)[C@H]1CC1(C)C ZINC000397776291 388498311 /nfs/dbraw/zinc/49/83/11/388498311.db2.gz WFOBEIHCMGAOCF-MNOVXSKESA-N 1 0 237.347 2.335 10 0 BEAERO CCC[C@]1([NH2+]C[C@H]2CCC[C@@H](O)C2)CCOC1 ZINC000378832082 388517444 /nfs/dbraw/zinc/51/74/44/388517444.db2.gz KNLULHNUUSJTSK-MJBXVCDLSA-N 1 0 241.375 2.086 10 0 BEAERO CC1(C)CC(CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000528381512 388518005 /nfs/dbraw/zinc/51/80/05/388518005.db2.gz UZEGWSFUQGQYGC-ZDUSSCGKSA-N 1 0 222.376 2.203 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]CC1CCSCC1 ZINC000328273930 388589020 /nfs/dbraw/zinc/58/90/20/388589020.db2.gz QFCDTYIBFKTRPY-STQMWFEESA-N 1 0 243.416 2.270 10 0 BEAERO [NH3+]C[C@]1(Cc2ccc(Cl)s2)CCOC1 ZINC000054637589 388594695 /nfs/dbraw/zinc/59/46/95/388594695.db2.gz GDOMTKCHRFGBCU-SNVBAGLBSA-N 1 0 231.748 2.309 10 0 BEAERO Cc1csc(OC2CCC([NH3+])CC2)n1 ZINC000055143395 388596505 /nfs/dbraw/zinc/59/65/05/388596505.db2.gz QDJCGZMGELHDEC-UHFFFAOYSA-N 1 0 212.318 2.100 10 0 BEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CCCCO1 ZINC000379251433 388603100 /nfs/dbraw/zinc/60/31/00/388603100.db2.gz FSMKKMIZYAZDCF-AVGNSLFASA-N 1 0 227.348 2.103 10 0 BEAERO [NH3+][C@@H](c1ccccc1)[C@H](O)C1CCCC1 ZINC000054682277 388606391 /nfs/dbraw/zinc/60/63/91/388606391.db2.gz BMKCSBKAXSWVAK-QWHCGFSZSA-N 1 0 205.301 2.238 10 0 BEAERO CCc1cc2c(ncnc2N[C@H](C)C[NH3+])s1 ZINC000082575990 388618282 /nfs/dbraw/zinc/61/82/82/388618282.db2.gz KCJHCDVFNBRTQF-SSDOTTSWSA-N 1 0 236.344 2.013 10 0 BEAERO CC(F)(F)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000357702960 388552172 /nfs/dbraw/zinc/55/21/72/388552172.db2.gz CFNCKOKVRSPZPY-OPRDCNLKSA-N 1 0 233.302 2.435 10 0 BEAERO CC(C)[C@@H](O)C[N@@H+]1CCCC12CCCC2 ZINC000368639863 388570094 /nfs/dbraw/zinc/57/00/94/388570094.db2.gz YJLJVJGYLKUDGB-LBPRGKRZSA-N 1 0 211.349 2.412 10 0 BEAERO CCSCCN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000081568652 388584754 /nfs/dbraw/zinc/58/47/54/388584754.db2.gz OOKHIRSJTAITJJ-SNVBAGLBSA-N 1 0 247.404 2.402 10 0 BEAERO CCC[C@H](C(=O)N[C@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245514132 388585724 /nfs/dbraw/zinc/58/57/24/388585724.db2.gz PEWYGBYEHUOAGR-FRRDWIJNSA-N 1 0 240.391 2.412 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247534467 388666727 /nfs/dbraw/zinc/66/67/27/388666727.db2.gz OOEVLCLTJMIMDS-CHWSQXEVSA-N 1 0 248.374 2.371 10 0 BEAERO [NH3+][C@H](CCF)c1cc(F)c(F)cc1F ZINC000575439739 388629966 /nfs/dbraw/zinc/62/99/66/388629966.db2.gz VOQDFDPIFIOAQS-SECBINFHSA-N 1 0 207.170 2.463 10 0 BEAERO CCOc1cccc(C[NH2+][C@H]2CCN(CC)C2)c1 ZINC000328442715 388644023 /nfs/dbraw/zinc/64/40/23/388644023.db2.gz BABWVILDSLSWCQ-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO [NH3+][C@@H]1CCc2ccccc2N[C@@H]1OC(F)(F)F ZINC000521399917 388704643 /nfs/dbraw/zinc/70/46/43/388704643.db2.gz CARBKHQRJKPUBY-PSASIEDQSA-N 1 0 246.232 2.235 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000127301919 388720406 /nfs/dbraw/zinc/72/04/06/388720406.db2.gz NUGHEASZROADOM-OCCSQVGLSA-N 1 0 245.370 2.105 10 0 BEAERO CCC[C@@H](C)[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000249414055 388721029 /nfs/dbraw/zinc/72/10/29/388721029.db2.gz YPXUAGDBBKIPMY-KGLIPLIRSA-N 1 0 242.407 2.218 10 0 BEAERO Cc1cccc(C[NH2+][C@@H](C)C2CCOCC2)n1 ZINC000127332880 388722140 /nfs/dbraw/zinc/72/21/40/388722140.db2.gz PQOLWGUCFMSNNP-LBPRGKRZSA-N 1 0 234.343 2.295 10 0 BEAERO COC[C@H](C)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000249463388 388723263 /nfs/dbraw/zinc/72/32/63/388723263.db2.gz FZPSPAMIGXUFPH-YPMHNXCESA-N 1 0 237.347 2.219 10 0 BEAERO CCC[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000127547504 388725822 /nfs/dbraw/zinc/72/58/22/388725822.db2.gz YDEYHMLYXZEPCE-UHFFFAOYSA-N 1 0 232.331 2.188 10 0 BEAERO C[C@]1(c2ccc(Br)o2)C[C@H]([NH3+])CO1 ZINC000575460913 388807555 /nfs/dbraw/zinc/80/75/55/388807555.db2.gz CBDCHOFYZGQSPU-IMTBSYHQSA-N 1 0 246.104 2.005 10 0 BEAERO C[NH2+][C@@H]1CO[C@H](c2sccc2Cl)C1 ZINC000575461435 388810965 /nfs/dbraw/zinc/81/09/65/388810965.db2.gz IBNJIBNUSQGLEF-XPUUQOCRSA-N 1 0 217.721 2.451 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000252709512 388771600 /nfs/dbraw/zinc/77/16/00/388771600.db2.gz DBOSAVJNYGEVON-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO CCC(CC)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000129250398 388828606 /nfs/dbraw/zinc/82/86/06/388828606.db2.gz XUECDTHOKVSHCD-UHFFFAOYSA-N 1 0 240.391 2.365 10 0 BEAERO CC[C@H]([NH2+][C@H](C)CO)c1cccc(OC)c1 ZINC000129313311 388832180 /nfs/dbraw/zinc/83/21/80/388832180.db2.gz AFFKXSOLEWMDRF-MFKMUULPSA-N 1 0 223.316 2.117 10 0 BEAERO C[C@H](CO)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000129343624 388834080 /nfs/dbraw/zinc/83/40/80/388834080.db2.gz MEMLWRYNGNUMRM-RKDXNWHRSA-N 1 0 225.357 2.268 10 0 BEAERO Cc1c(F)c(Br)ccc1NC(N)=[NH2+] ZINC000575493104 388944345 /nfs/dbraw/zinc/94/43/45/388944345.db2.gz OVWZUQWSTPHFJF-UHFFFAOYSA-N 1 0 246.083 2.202 10 0 BEAERO Cc1c[nH+]ccc1NCC1C[C@H](C)O[C@@H](C)C1 ZINC000336617478 177650763 /nfs/dbraw/zinc/65/07/63/177650763.db2.gz DFZKVRLIZMITMN-RYUDHWBXSA-N 1 0 234.343 2.427 10 0 BEAERO C[C@]1(c2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000575499146 388989864 /nfs/dbraw/zinc/98/98/64/388989864.db2.gz FXYBVZGUCZZJLW-XVKPBYJWSA-N 1 0 241.132 2.080 10 0 BEAERO C[C@@]1(c2ccc(Br)cn2)CC[NH2+]1 ZINC000575499773 388989893 /nfs/dbraw/zinc/98/98/93/388989893.db2.gz OOLVFZOSZNRFAX-VIFPVBQESA-N 1 0 227.105 2.053 10 0 BEAERO Cc1c2ccccc2n2c1CC[NH2+]CC2 ZINC000013535389 177638024 /nfs/dbraw/zinc/63/80/24/177638024.db2.gz KLYUGHYJPCVJLA-UHFFFAOYSA-N 1 0 200.285 2.095 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@@H]2C)cc1C ZINC000016944997 132323570 /nfs/dbraw/zinc/32/35/70/132323570.db2.gz IJCVJJXFHPOJHJ-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@@H]2C)c(C)c1 ZINC000016944978 132323605 /nfs/dbraw/zinc/32/36/05/132323605.db2.gz YMMRNIZVHOPMNK-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO CC[C@@H]1CN(c2ccccc2C)CC[NH2+]1 ZINC000016944777 132323660 /nfs/dbraw/zinc/32/36/60/132323660.db2.gz QNOWEFQVGUMERW-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1cc(C)cc(N2CC[NH2+][C@@H](C)C2)c1 ZINC000016944773 132323729 /nfs/dbraw/zinc/32/37/29/132323729.db2.gz JXUAAUHXRNBYNU-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO CC(C)(C[NH3+])N1CCCc2ccccc21 ZINC000019479639 132325446 /nfs/dbraw/zinc/32/54/46/132325446.db2.gz HTQDBNMPSDKKNT-UHFFFAOYSA-N 1 0 204.317 2.177 10 0 BEAERO CCOc1ccccc1N1CCC([NH3+])CC1 ZINC000019504603 132325809 /nfs/dbraw/zinc/32/58/09/132325809.db2.gz LJYYEOPWIITUNT-UHFFFAOYSA-N 1 0 220.316 2.013 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1ccc(F)c(Cl)c1 ZINC000041250449 132349695 /nfs/dbraw/zinc/34/96/95/132349695.db2.gz DSJKWQCDVHUQLY-MRVPVSSYSA-N 1 0 228.698 2.277 10 0 BEAERO Cc1cc(N2CCC[C@@H]([NH3+])C2)ccc1F ZINC000043470562 132353410 /nfs/dbraw/zinc/35/34/10/132353410.db2.gz UEVNCYICEZGTSW-SNVBAGLBSA-N 1 0 208.280 2.062 10 0 BEAERO CCC1CCN(c2cccc(C[NH3+])n2)CC1 ZINC000051398143 132360419 /nfs/dbraw/zinc/36/04/19/132360419.db2.gz CDMBVHTUTPKVJC-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO C[C@@H]1CN(c2ccc(Cl)cc2C[NH3+])CCO1 ZINC000052856525 132362689 /nfs/dbraw/zinc/36/26/89/132362689.db2.gz CVRXRBRNMFXTID-SECBINFHSA-N 1 0 240.734 2.024 10 0 BEAERO CCN(C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042971232 169712998 /nfs/dbraw/zinc/71/29/98/169712998.db2.gz BVLWNPLUWHEICP-BXKDBHETSA-N 1 0 210.296 2.166 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000084445949 322835199 /nfs/dbraw/zinc/83/51/99/322835199.db2.gz JNODKUZHOOEWAI-OVIZCXLRSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CC(O)C1 ZINC000084446651 322835350 /nfs/dbraw/zinc/83/53/50/322835350.db2.gz KPOMZVXCBMVQTJ-QYNFOATHSA-N 1 0 211.349 2.172 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000042237415 322836988 /nfs/dbraw/zinc/83/69/88/322836988.db2.gz YKLZFYZPMGCPHA-VXGBXAGGSA-N 1 0 209.333 2.068 10 0 BEAERO [NH3+]C[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000044532040 132224886 /nfs/dbraw/zinc/22/48/86/132224886.db2.gz CRJUUAAQLNJSCI-GFCCVEGCSA-N 1 0 241.338 2.410 10 0 BEAERO Cc1cc2cccc(N3CC[NH2+]CC3)c2o1 ZINC000013741467 132244073 /nfs/dbraw/zinc/24/40/73/132244073.db2.gz VLBMAHOFJUHTIA-UHFFFAOYSA-N 1 0 216.284 2.151 10 0 BEAERO CCO[C@@H]1CCCN(c2ccnc(C3CC3)n2)C1 ZINC000110280438 132267750 /nfs/dbraw/zinc/26/77/50/132267750.db2.gz IYDKFEIDSLZSKL-GFCCVEGCSA-N 1 0 247.342 2.359 10 0 BEAERO Clc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000176997118 132290890 /nfs/dbraw/zinc/29/08/90/132290890.db2.gz PHGKFTYGPREZRS-LLVKDONJSA-N 1 0 237.734 2.019 10 0 BEAERO [NH3+]CCc1cccc(N2CCCCC2)c1 ZINC000003602537 132315365 /nfs/dbraw/zinc/31/53/65/132315365.db2.gz ULHBMKLAIZDWDE-UHFFFAOYSA-N 1 0 204.317 2.178 10 0 BEAERO CC(C)c1ccccc1N1CC[NH2+]CC1 ZINC000003716182 132315721 /nfs/dbraw/zinc/31/57/21/132315721.db2.gz JQQVFOBGUYOMQP-UHFFFAOYSA-N 1 0 204.317 2.220 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1ccc(C)c(C)c1 ZINC000016945138 132323651 /nfs/dbraw/zinc/32/36/51/132323651.db2.gz CACWFGDYBWRUFZ-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC[C@H]1CN(c2ccc(C)cc2C)CC[NH2+]1 ZINC000016944869 132323719 /nfs/dbraw/zinc/32/37/19/132323719.db2.gz SHZAVGUSFIDYPM-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CCOc1ccccc1N1CC[NH2+]C[C@@H]1CC ZINC000016945100 132323734 /nfs/dbraw/zinc/32/37/34/132323734.db2.gz SKVNDSXLMYGVJI-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(C)cc1C ZINC000016945116 132323746 /nfs/dbraw/zinc/32/37/46/132323746.db2.gz GZDOGVUFEGZGLV-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1ccc(F)cc1N1CCC([NH3+])CC1 ZINC000019431846 132324902 /nfs/dbraw/zinc/32/49/02/132324902.db2.gz XZIYMVKKMMRSSF-UHFFFAOYSA-N 1 0 208.280 2.062 10 0 BEAERO Cc1ccc2c(c1)CCCN2C[C@H]1CCC[NH2+]1 ZINC000020074092 132329278 /nfs/dbraw/zinc/32/92/78/132329278.db2.gz QJFURCILYCZASW-CQSZACIVSA-N 1 0 230.355 2.500 10 0 BEAERO Nc1cccc(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000020265099 132330568 /nfs/dbraw/zinc/33/05/68/132330568.db2.gz QKNIUFRFVAMFLT-UHFFFAOYSA-N 1 0 245.370 2.333 10 0 BEAERO CC(C)(C)[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265460 132330934 /nfs/dbraw/zinc/33/09/34/132330934.db2.gz RVGVZPCHEZAJBB-UHFFFAOYSA-N 1 0 233.359 2.189 10 0 BEAERO C[NH2+]C1CCN(c2ccccc2F)CC1 ZINC000020441296 132331793 /nfs/dbraw/zinc/33/17/93/132331793.db2.gz GBEISAVOMKMGQC-UHFFFAOYSA-N 1 0 208.280 2.014 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000034823442 132337144 /nfs/dbraw/zinc/33/71/44/132337144.db2.gz HBEHOZLIUVIFGE-GFCCVEGCSA-N 1 0 234.343 2.021 10 0 BEAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCOC[C@H]1C ZINC000035776804 132339485 /nfs/dbraw/zinc/33/94/85/132339485.db2.gz YNUYTOYNVKCVOO-NXEZZACHSA-N 1 0 238.306 2.071 10 0 BEAERO CC[C@H]1CCCN(c2cc(C[NH3+])ccn2)C1 ZINC000036168545 132340368 /nfs/dbraw/zinc/34/03/68/132340368.db2.gz VAQOYVRKEXUHDO-NSHDSACASA-N 1 0 219.332 2.167 10 0 BEAERO Cc1cc[nH+]c(N2CCC(C)CC2)c1N ZINC000036245161 132341393 /nfs/dbraw/zinc/34/13/93/132341393.db2.gz VSLNCVZAXQHKPX-UHFFFAOYSA-N 1 0 205.305 2.209 10 0 BEAERO Cc1ccc2c(c1)CCCN2C[C@@H](C)C(N)=[NH2+] ZINC000036677887 132342376 /nfs/dbraw/zinc/34/23/76/132342376.db2.gz IULDQFNHZRMXHC-LLVKDONJSA-N 1 0 231.343 2.320 10 0 BEAERO CN1c2ccccc2[C@@H]([NH2+]CC2CC2)CC1=O ZINC000037187384 132343751 /nfs/dbraw/zinc/34/37/51/132343751.db2.gz OIXRTWAWNSVHRK-LBPRGKRZSA-N 1 0 230.311 2.094 10 0 BEAERO C[NH2+]C1CCN(c2cccc(F)c2C)CC1 ZINC000043321288 132352900 /nfs/dbraw/zinc/35/29/00/132352900.db2.gz BIISJBQNNZQRBZ-UHFFFAOYSA-N 1 0 222.307 2.322 10 0 BEAERO CCOc1ccccc1N1CCC[C@@H]([NH3+])C1 ZINC000043470724 132353432 /nfs/dbraw/zinc/35/34/32/132353432.db2.gz LRGDRWUTVHAYSC-LLVKDONJSA-N 1 0 220.316 2.013 10 0 BEAERO CC[C@H]1CCCCN1c1cc(N)cc[nH+]1 ZINC000043568849 132353433 /nfs/dbraw/zinc/35/34/33/132353433.db2.gz MKJBTUQYXQDBLW-NSHDSACASA-N 1 0 205.305 2.433 10 0 BEAERO c1ccc2c(c1)NCCN2CCC[NH+]1CCCC1 ZINC000049333146 132356106 /nfs/dbraw/zinc/35/61/06/132356106.db2.gz KMCUCAVQUUFXBE-UHFFFAOYSA-N 1 0 245.370 2.404 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccnc2)[C@H](C)C1 ZINC000049694161 132356670 /nfs/dbraw/zinc/35/66/70/132356670.db2.gz XUFNOOVMTILCFG-NEPJUHHUSA-N 1 0 219.332 2.048 10 0 BEAERO Cc1ccc(C)c(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049694059 132356697 /nfs/dbraw/zinc/35/66/97/132356697.db2.gz CWMSWHOWZPSNFG-OLZOCXBDSA-N 1 0 218.344 2.477 10 0 BEAERO CCOc1ccccc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049708161 132356977 /nfs/dbraw/zinc/35/69/77/132356977.db2.gz GVCXCUZBHRLJTK-VXGBXAGGSA-N 1 0 234.343 2.259 10 0 BEAERO C[NH2+][C@H]1CCN(c2cc(F)ccc2F)C[C@H]1C ZINC000049707917 132356993 /nfs/dbraw/zinc/35/69/93/132356993.db2.gz OTXUWVFSRFEOEK-SKDRFNHKSA-N 1 0 240.297 2.399 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1cc(F)ccc1F ZINC000049707933 132356996 /nfs/dbraw/zinc/35/69/96/132356996.db2.gz VRQXGAWWQWQAMY-WPRPVWTQSA-N 1 0 226.270 2.281 10 0 BEAERO C[C@H]1CN(c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000049708750 132357266 /nfs/dbraw/zinc/35/72/66/132357266.db2.gz PBIPCKWPDLBKIT-KWQFWETISA-N 1 0 226.270 2.138 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(C)c2)C[C@H]1C ZINC000049709778 132357319 /nfs/dbraw/zinc/35/73/19/132357319.db2.gz DCNWMVMMPCDFFW-OCCSQVGLSA-N 1 0 218.344 2.429 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(C)cc2)C[C@H]1C ZINC000049709871 132357525 /nfs/dbraw/zinc/35/75/25/132357525.db2.gz BYKMFOACNLMFIV-OCCSQVGLSA-N 1 0 218.344 2.429 10 0 BEAERO COCc1cccc(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049713765 132357892 /nfs/dbraw/zinc/35/78/92/132357892.db2.gz SWDKZILRJMWOEY-RISCZKNCSA-N 1 0 234.343 2.007 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2COC)[C@H](C)C1 ZINC000049713805 132357937 /nfs/dbraw/zinc/35/79/37/132357937.db2.gz XXHKGABVSVYIJD-OCCSQVGLSA-N 1 0 248.370 2.410 10 0 BEAERO C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)nc1 ZINC000051399962 132360618 /nfs/dbraw/zinc/36/06/18/132360618.db2.gz FONHJKDLLMNSOX-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO C[NH2+]Cc1cccc(N2CCCC[C@H]2C)n1 ZINC000051399338 132360671 /nfs/dbraw/zinc/36/06/71/132360671.db2.gz PGKBENVYTRXUTG-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO CC[C@@H]1CCCN(c2ccnc(C[NH2+]C)c2)C1 ZINC000051445922 132361403 /nfs/dbraw/zinc/36/14/03/132361403.db2.gz OKSQNPGNBLNPOT-GFCCVEGCSA-N 1 0 233.359 2.427 10 0 BEAERO CC[C@H]1COCCN1c1cc(C)ccc1C[NH3+] ZINC000051579156 132361530 /nfs/dbraw/zinc/36/15/30/132361530.db2.gz VAVBJKVTTFTTFW-ZDUSSCGKSA-N 1 0 234.343 2.069 10 0 BEAERO C[C@@H]1C[C@@H](C)CCN1c1cccc(C[NH3+])n1 ZINC000051748730 132361839 /nfs/dbraw/zinc/36/18/39/132361839.db2.gz IZUQMNWJDOLBRD-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO CC[NH2+]C[C@H](C)N1CCCc2ccccc21 ZINC000052421413 132362136 /nfs/dbraw/zinc/36/21/36/132362136.db2.gz XABDCCCXKUGNGS-LBPRGKRZSA-N 1 0 218.344 2.437 10 0 BEAERO C[NH2+]C[C@H](C)N1c2ccccc2CC[C@H]1C ZINC000052416971 132362274 /nfs/dbraw/zinc/36/22/74/132362274.db2.gz XSONBIUDUYLQPQ-NEPJUHHUSA-N 1 0 218.344 2.436 10 0 BEAERO Cc1ccc(N2CCC[C@H]([NH3+])C2)cc1C ZINC000053303494 132362992 /nfs/dbraw/zinc/36/29/92/132362992.db2.gz MNWXHCBRQYYXFI-LBPRGKRZSA-N 1 0 204.317 2.231 10 0 BEAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncccc1Cl ZINC000053704309 132363206 /nfs/dbraw/zinc/36/32/06/132363206.db2.gz XFHQMKMULIOMMB-NXEZZACHSA-N 1 0 239.750 2.299 10 0 BEAERO Cc1cccnc1N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000053702147 132363240 /nfs/dbraw/zinc/36/32/40/132363240.db2.gz BSWOALUKQDLYJD-ZDUSSCGKSA-N 1 0 245.370 2.358 10 0 BEAERO Cc1ccc(N)cc1N1CC[NH+](C(C)C)CC1 ZINC000053735074 132363557 /nfs/dbraw/zinc/36/35/57/132363557.db2.gz WMZLKJXOXZPZTC-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO [NH3+][C@H]1CCCN(c2ccc(N3CCCC3)cc2)C1 ZINC000057955962 132367483 /nfs/dbraw/zinc/36/74/83/132367483.db2.gz GXCNIGNKAMHFRE-ZDUSSCGKSA-N 1 0 245.370 2.214 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1c1ccccc1 ZINC000058439721 132368122 /nfs/dbraw/zinc/36/81/22/132368122.db2.gz FFSDUZIYSCFJJQ-NSHDSACASA-N 1 0 204.317 2.263 10 0 BEAERO CC[C@@H]1CCCCN1c1ccnc(C(N)=[NH2+])c1 ZINC000061814062 132387290 /nfs/dbraw/zinc/38/72/90/132387290.db2.gz TWNMLBDEBXDIOG-SNVBAGLBSA-N 1 0 232.331 2.135 10 0 BEAERO Cc1c(N)cccc1N1CC[NH+](C(C)C)CC1 ZINC000062724744 132388395 /nfs/dbraw/zinc/38/83/95/132388395.db2.gz NHZBNLXTKLYOBD-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO C[C@H]1CN(c2cc(Cl)ccc2C[NH3+])CCO1 ZINC000062786727 132388811 /nfs/dbraw/zinc/38/88/11/132388811.db2.gz LVOZFTOUGCCGFC-VIFPVBQESA-N 1 0 240.734 2.024 10 0 BEAERO Cc1cccnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063201507 132389488 /nfs/dbraw/zinc/38/94/88/132389488.db2.gz UWPZQQYLCITBFQ-AWEZNQCLSA-N 1 0 245.370 2.358 10 0 BEAERO Cc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c(C)c1 ZINC000071520900 132392614 /nfs/dbraw/zinc/39/26/14/132392614.db2.gz GYKIDEPNMMJOOQ-STQMWFEESA-N 1 0 218.344 2.490 10 0 BEAERO Cc1cc(C)cc(N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000071520927 132392832 /nfs/dbraw/zinc/39/28/32/132392832.db2.gz GUWVSWDGYWYDMU-STQMWFEESA-N 1 0 218.344 2.490 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)cc1F ZINC000071532802 132394029 /nfs/dbraw/zinc/39/40/29/132394029.db2.gz NCOLLMFYEJVOME-DTWKUNHWSA-N 1 0 226.270 2.151 10 0 BEAERO C[C@@H]1CN(c2ccc(F)c(F)c2F)[C@@H](C)C[NH2+]1 ZINC000071558818 132394732 /nfs/dbraw/zinc/39/47/32/132394732.db2.gz ZGAOGSULGBGEAS-SFYZADRCSA-N 1 0 244.260 2.291 10 0 BEAERO C[C@@H]1CCN(c2nccc3occc32)[C@@H](C[NH3+])C1 ZINC000235381723 132395290 /nfs/dbraw/zinc/39/52/90/132395290.db2.gz ZGOLKAIDSMNQRB-GHMZBOCLSA-N 1 0 245.326 2.391 10 0 BEAERO CC[C@H](C[NH3+])CC(=O)N1CCCc2ccccc21 ZINC000076631670 132401207 /nfs/dbraw/zinc/40/12/07/132401207.db2.gz HJFLQUHAQJWTLY-LBPRGKRZSA-N 1 0 246.354 2.341 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@@H]2C)c(Cl)c1 ZINC000083086693 132420308 /nfs/dbraw/zinc/42/03/08/132420308.db2.gz QRLBMMQEFUYSSY-JTQLQIEISA-N 1 0 224.735 2.447 10 0 BEAERO C[C@H]1CN(c2cccc3cccnc32)[C@@H](C)C[NH2+]1 ZINC000083369710 132424125 /nfs/dbraw/zinc/42/41/25/132424125.db2.gz DNZVKOLTZUWBEP-RYUDHWBXSA-N 1 0 241.338 2.421 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cccc2cccnc21 ZINC000083369709 132424528 /nfs/dbraw/zinc/42/45/28/132424528.db2.gz DNZVKOLTZUWBEP-NWDGAFQWSA-N 1 0 241.338 2.421 10 0 BEAERO CC[C@@H]1CN(c2cccc(OC)n2)[C@H](CC)C[NH2+]1 ZINC000083381594 132425977 /nfs/dbraw/zinc/42/59/77/132425977.db2.gz JWIHCKWLGSOTJV-VXGBXAGGSA-N 1 0 249.358 2.057 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732317 132427910 /nfs/dbraw/zinc/42/79/10/132427910.db2.gz DLLWVLNEUVLLKQ-QWHCGFSZSA-N 1 0 248.374 2.224 10 0 BEAERO CC[C@@H]([NH3+])Cc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000104276215 132435587 /nfs/dbraw/zinc/43/55/87/132435587.db2.gz YEINUMNDNJARFF-TZMCWYRMSA-N 1 0 248.370 2.192 10 0 BEAERO Cn1c(CC[NH2+]CC2CC2)nc2c1cccc2F ZINC000113358837 133766114 /nfs/dbraw/zinc/76/61/14/133766114.db2.gz BFCARFSKRMBIKI-UHFFFAOYSA-N 1 0 247.317 2.255 10 0 BEAERO Cc1oncc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336118925 134089437 /nfs/dbraw/zinc/08/94/37/134089437.db2.gz BUKFCQPOIKOUPL-MNOVXSKESA-N 1 0 242.269 2.460 10 0 BEAERO C[C@@H]1C[C@@H](C[NH+]2CC(C(F)(F)F)C2)CCO1 ZINC000336188916 134122530 /nfs/dbraw/zinc/12/25/30/134122530.db2.gz LOEKFGGFBOOCCH-BDAKNGLRSA-N 1 0 237.265 2.296 10 0 BEAERO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336195616 134125952 /nfs/dbraw/zinc/12/59/52/134125952.db2.gz WKTVMMLPXDGVFV-VXGBXAGGSA-N 1 0 246.345 2.448 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccco1)CC2 ZINC000220405363 134305415 /nfs/dbraw/zinc/30/54/15/134305415.db2.gz XKPRMTPTRLGDCI-GXTWGEPZSA-N 1 0 235.327 2.407 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000178359920 134309128 /nfs/dbraw/zinc/30/91/28/134309128.db2.gz XTWRIQZCXFBVQZ-XDTLVQLUSA-N 1 0 205.301 2.033 10 0 BEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C1CCC1 ZINC000178415572 134310219 /nfs/dbraw/zinc/31/02/19/134310219.db2.gz YGXTWEQKSKQTFM-JQWIXIFHSA-N 1 0 248.374 2.454 10 0 BEAERO COCCC[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000178681311 134313000 /nfs/dbraw/zinc/31/30/00/134313000.db2.gz FBARFKMJNCKNTR-ZIAGYGMSSA-N 1 0 244.423 2.367 10 0 BEAERO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000178992294 134314176 /nfs/dbraw/zinc/31/41/76/134314176.db2.gz RPEJNELJINODAR-ZDUSSCGKSA-N 1 0 248.374 2.159 10 0 BEAERO C1CC(N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000179566265 134322298 /nfs/dbraw/zinc/32/22/98/134322298.db2.gz QTYHUEPQCYNESI-UHFFFAOYSA-N 1 0 222.376 2.489 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000179683421 134323831 /nfs/dbraw/zinc/32/38/31/134323831.db2.gz PIGDGCQFWJGBQG-JTQLQIEISA-N 1 0 238.411 2.209 10 0 BEAERO Cc1csc2c1ncnc2N[C@@H](C)CC[NH3+] ZINC000222402757 134331967 /nfs/dbraw/zinc/33/19/67/134331967.db2.gz FAYKCFXTYAWBER-QMMMGPOBSA-N 1 0 236.344 2.149 10 0 BEAERO C[C@H](N[C@@H]1CC[C@@H]([NH+](C)C)C1)c1cncs1 ZINC000222743867 134334131 /nfs/dbraw/zinc/33/41/31/134334131.db2.gz URXAHBONSDMDCU-HBNTYKKESA-N 1 0 239.388 2.276 10 0 BEAERO c1ccc2c(c1)COC[C@@H]2[NH2+]CC1CCOCC1 ZINC000225999871 134358316 /nfs/dbraw/zinc/35/83/16/134358316.db2.gz CCWSWEXQSXLCEL-HNNXBMFYSA-N 1 0 247.338 2.274 10 0 BEAERO CC[C@@H]1CCC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000226240762 134362138 /nfs/dbraw/zinc/36/21/38/134362138.db2.gz LMJNAACMHYSJDG-AGIUHOORSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000184586501 134363669 /nfs/dbraw/zinc/36/36/69/134363669.db2.gz FSKKGZWXTJOKMA-ZYHUDNBSSA-N 1 0 248.374 2.361 10 0 BEAERO CCC1(C[NH2+]Cc2c(C)nn(C)c2OC)CC1 ZINC000226784863 134369129 /nfs/dbraw/zinc/36/91/29/134369129.db2.gz UFSZYJSHHFNDGZ-UHFFFAOYSA-N 1 0 237.347 2.017 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000227065489 134374238 /nfs/dbraw/zinc/37/42/38/134374238.db2.gz WUYKMNCCUPINSB-JHJVBQTASA-N 1 0 209.333 2.093 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227565971 134383328 /nfs/dbraw/zinc/38/33/28/134383328.db2.gz WDJMSPKBOVCHRE-ZDUSSCGKSA-N 1 0 249.354 2.208 10 0 BEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000230993773 134537539 /nfs/dbraw/zinc/53/75/39/134537539.db2.gz JRRJEIXKJZKNHJ-JHJVBQTASA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)C1 ZINC000231845061 134544946 /nfs/dbraw/zinc/54/49/46/134544946.db2.gz AYQQCUGINFTSLR-QJPTWQEYSA-N 1 0 226.364 2.022 10 0 BEAERO CNC(=O)[C@@H]([NH2+]C1CCCCCC1)C(C)C ZINC000132430542 134655899 /nfs/dbraw/zinc/65/58/99/134655899.db2.gz ZWVOAIZYUTZINN-LBPRGKRZSA-N 1 0 226.364 2.069 10 0 BEAERO COC(=O)CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000050347448 134657688 /nfs/dbraw/zinc/65/76/88/134657688.db2.gz JQZIYYRGPVUJMZ-UHFFFAOYSA-N 1 0 227.348 2.308 10 0 BEAERO COC(=O)CCC[NH2+][C@H](C)C1CCCC1 ZINC000054080402 134754627 /nfs/dbraw/zinc/75/46/27/134754627.db2.gz LLIOFBLVROHRLW-SNVBAGLBSA-N 1 0 213.321 2.108 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C=C(C)C ZINC000247051927 134970694 /nfs/dbraw/zinc/97/06/94/134970694.db2.gz WLQJALPGOGLSIP-STQMWFEESA-N 1 0 236.359 2.038 10 0 BEAERO CC(C)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248021276 135001957 /nfs/dbraw/zinc/00/19/57/135001957.db2.gz NVXPFFFEPDEPDQ-UKRRQHHQSA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@H](C)C[C@H](CC)[NH2+]CCc1nnc[nH]1 ZINC000070646219 135003883 /nfs/dbraw/zinc/00/38/83/135003883.db2.gz YVEFSOZEOWJHEK-QWRGUYRKSA-N 1 0 224.352 2.152 10 0 BEAERO CO[C@H](C)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000248422639 135008406 /nfs/dbraw/zinc/00/84/06/135008406.db2.gz MRIOYZYMHUVRGC-MNOVXSKESA-N 1 0 209.289 2.451 10 0 BEAERO C[C@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CCS1 ZINC000248582675 135014941 /nfs/dbraw/zinc/01/49/41/135014941.db2.gz SZBPRGUNXHMUMZ-WDEREUQCSA-N 1 0 229.389 2.381 10 0 BEAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](C)O)C2)cc1 ZINC000248663003 135018253 /nfs/dbraw/zinc/01/82/53/135018253.db2.gz ZAVOOUUZDMYYEF-MBNYWOFBSA-N 1 0 249.354 2.254 10 0 BEAERO CCCn1ccc(C[NH2+]CCOCC2CC2)c1 ZINC000233448733 135032772 /nfs/dbraw/zinc/03/27/72/135032772.db2.gz LSWKMTPKJJDZBC-UHFFFAOYSA-N 1 0 236.359 2.414 10 0 BEAERO CC[C@H](C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249655102 135043916 /nfs/dbraw/zinc/04/39/16/135043916.db2.gz VGSSEFASXPLTQT-XQQFMLRXSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@@H]1CC([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@@H](C)O1 ZINC000249770184 135045584 /nfs/dbraw/zinc/04/55/84/135045584.db2.gz BPKHBFCVPVBNDL-TZNMXHEESA-N 1 0 239.359 2.100 10 0 BEAERO O=C(C[C@@H]1C=CCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250123909 135049739 /nfs/dbraw/zinc/04/97/39/135049739.db2.gz JLDXYTUMIOQLNF-KGLIPLIRSA-N 1 0 248.370 2.039 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)[C@H](C)O ZINC000251076431 135061963 /nfs/dbraw/zinc/06/19/63/135061963.db2.gz UNTOFPQHQZTNSX-NRUUGDAUSA-N 1 0 205.301 2.033 10 0 BEAERO COC(=O)[C@H](C)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000251080482 135063595 /nfs/dbraw/zinc/06/35/95/135063595.db2.gz HPFQQJOAIZPGPX-YPMHNXCESA-N 1 0 239.359 2.450 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCSC ZINC000251827738 135079204 /nfs/dbraw/zinc/07/92/04/135079204.db2.gz PSSMYUISDWGELX-OLZOCXBDSA-N 1 0 242.432 2.298 10 0 BEAERO Cc1c(C[NH2+]C[C@@H](C)C(C)C)cnn1C ZINC000086552136 135089497 /nfs/dbraw/zinc/08/94/97/135089497.db2.gz ZDKFNDVAWGNBSN-SNVBAGLBSA-N 1 0 209.337 2.110 10 0 BEAERO [NH3+]CC1CCN(c2ncc(Cl)cc2F)CC1 ZINC000086709985 135094827 /nfs/dbraw/zinc/09/48/27/135094827.db2.gz VKMHNFMBZYDXDK-UHFFFAOYSA-N 1 0 243.713 2.049 10 0 BEAERO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]2CCCO)O1 ZINC000253123959 135095608 /nfs/dbraw/zinc/09/56/08/135095608.db2.gz PCYCPJVSBUBKPC-QWHCGFSZSA-N 1 0 241.375 2.181 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000252713490 135100459 /nfs/dbraw/zinc/10/04/59/135100459.db2.gz PHYAQJACZFOLKE-WOPDTQHZSA-N 1 0 229.389 2.143 10 0 BEAERO CC[C@H](C)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086931048 135102411 /nfs/dbraw/zinc/10/24/11/135102411.db2.gz IJUIYGPNACQYFV-AVGNSLFASA-N 1 0 210.365 2.201 10 0 BEAERO CC(C)C[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086930760 135102539 /nfs/dbraw/zinc/10/25/39/135102539.db2.gz DBORZPJGDZDIOJ-QWHCGFSZSA-N 1 0 210.365 2.201 10 0 BEAERO CS[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000252744428 135106716 /nfs/dbraw/zinc/10/67/16/135106716.db2.gz RVZMPJREYOWZRP-DBIOUOCHSA-N 1 0 229.389 2.141 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000087128950 135107089 /nfs/dbraw/zinc/10/70/89/135107089.db2.gz OMDKABLLROZFNL-LPEHRKFASA-N 1 0 211.280 2.246 10 0 BEAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1COC1 ZINC000087195056 135111111 /nfs/dbraw/zinc/11/11/11/135111111.db2.gz IFTCBLNGJQYNDY-BDAKNGLRSA-N 1 0 223.238 2.096 10 0 BEAERO CCCn1ccc(C[NH2+]CC2(C)COC2)c1 ZINC000087197377 135112376 /nfs/dbraw/zinc/11/23/76/135112376.db2.gz YEPJVPFVMYLBHA-UHFFFAOYSA-N 1 0 222.332 2.024 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000252956816 135117379 /nfs/dbraw/zinc/11/73/79/135117379.db2.gz SAGIVVDPFKYGLN-MROQNXINSA-N 1 0 211.349 2.458 10 0 BEAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253086810 135119906 /nfs/dbraw/zinc/11/99/06/135119906.db2.gz CJRJAVFCYVWCMB-XJFOESAGSA-N 1 0 241.375 2.037 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCCF ZINC000253098213 135121336 /nfs/dbraw/zinc/12/13/36/135121336.db2.gz SROBOSDYRGOIHC-JHJVBQTASA-N 1 0 229.339 2.362 10 0 BEAERO COCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253091481 135121533 /nfs/dbraw/zinc/12/15/33/135121533.db2.gz JSXXUANYUQVUPY-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ncccc1Cl ZINC000087362266 135126724 /nfs/dbraw/zinc/12/67/24/135126724.db2.gz IRXZFZAZOATRAZ-MRVPVSSYSA-N 1 0 213.712 2.274 10 0 BEAERO COc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000258925381 135135154 /nfs/dbraw/zinc/13/51/54/135135154.db2.gz WXCCQSFEQLNDHS-CQSZACIVSA-N 1 0 248.370 2.254 10 0 BEAERO CC1(C)CN(Cc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000258935369 135136064 /nfs/dbraw/zinc/13/60/64/135136064.db2.gz XRSYCFCDVDILGD-ZDUSSCGKSA-N 1 0 236.334 2.385 10 0 BEAERO CC1(C)CN(C(=O)CCC2CCC2)CC[C@H]1[NH3+] ZINC000259041381 135136591 /nfs/dbraw/zinc/13/65/91/135136591.db2.gz LJQWWBZJUKFLMT-GFCCVEGCSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CN(C[C@H]2CCCC(F)(F)C2)CC[NH2+]1 ZINC000261533098 135163933 /nfs/dbraw/zinc/16/39/33/135163933.db2.gz POCLCQHUOQZLOT-QWRGUYRKSA-N 1 0 232.318 2.106 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1ncccc1F ZINC000087780143 135168213 /nfs/dbraw/zinc/16/82/13/135168213.db2.gz YNZIKPJJSWJNAN-SECBINFHSA-N 1 0 211.284 2.150 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)C[C@H](C)[NH2+]1 ZINC000261538115 135175219 /nfs/dbraw/zinc/17/52/19/135175219.db2.gz DFNKFYDJYVFGOP-GRYCIOLGSA-N 1 0 246.345 2.494 10 0 BEAERO C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538281 135175833 /nfs/dbraw/zinc/17/58/33/135175833.db2.gz VCIOJOMDSVQUED-RYUDHWBXSA-N 1 0 246.345 2.353 10 0 BEAERO C[C@H]1CCN(Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000261540647 135180113 /nfs/dbraw/zinc/18/01/13/135180113.db2.gz GWTNWVVODVGPJG-FZMZJTMJSA-N 1 0 236.334 2.385 10 0 BEAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000261543656 135184969 /nfs/dbraw/zinc/18/49/69/135184969.db2.gz DDPCMJAFYJYABG-AAEUAGOBSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1CCCCCCC1 ZINC000261557723 135198593 /nfs/dbraw/zinc/19/85/93/135198593.db2.gz RWEORZQUFJYHJA-WCQYABFASA-N 1 0 238.375 2.295 10 0 BEAERO C[C@H](c1cccnc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567046 135209588 /nfs/dbraw/zinc/20/95/88/135209588.db2.gz ZLBSUPRUOSSGTN-DGCLKSJQSA-N 1 0 233.359 2.202 10 0 BEAERO CCC1(O)C[NH+](Cc2cc(C)ccc2C)C1 ZINC000084360563 135213721 /nfs/dbraw/zinc/21/37/21/135213721.db2.gz HTEVLQUQWHHCDC-UHFFFAOYSA-N 1 0 219.328 2.260 10 0 BEAERO C[C@@H](C[S@@](C)=O)[NH2+]CC1CCC(C)CC1 ZINC000164293019 135218021 /nfs/dbraw/zinc/21/80/21/135218021.db2.gz YPDDQYYSYWGIOD-ZCUCKVSOSA-N 1 0 231.405 2.169 10 0 BEAERO CC1(c2nc(C3([NH3+])CCCCC3)no2)CC1 ZINC000261583021 135223981 /nfs/dbraw/zinc/22/39/81/135223981.db2.gz OTTMRECXQXWOPG-UHFFFAOYSA-N 1 0 221.304 2.239 10 0 BEAERO Cc1ncsc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261588554 135229279 /nfs/dbraw/zinc/22/92/79/135229279.db2.gz SKRATKHDQZSDBJ-NSHDSACASA-N 1 0 239.388 2.011 10 0 BEAERO CCc1csc(N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261588644 135229349 /nfs/dbraw/zinc/22/93/49/135229349.db2.gz SMZNNKNYJJBZTG-JTQLQIEISA-N 1 0 239.388 2.269 10 0 BEAERO C[C@@H]1CCN(C(=O)CCC2CCC2)[C@@H](C[NH3+])C1 ZINC000261684697 135245998 /nfs/dbraw/zinc/24/59/98/135245998.db2.gz DMKNEVRPXOAFCM-DGCLKSJQSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261807714 135254697 /nfs/dbraw/zinc/25/46/97/135254697.db2.gz NDARFINENFZBHI-GFQSEFKGSA-N 1 0 238.375 2.008 10 0 BEAERO C[NH2+][C@H](C)Cc1noc(C[C@H](C)C(C)(C)C)n1 ZINC000261882094 135259737 /nfs/dbraw/zinc/25/97/37/135259737.db2.gz WLTSJKJVOZCTJW-VHSXEESVSA-N 1 0 239.363 2.445 10 0 BEAERO CC[C@]1(C)C[C@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261959100 135266171 /nfs/dbraw/zinc/26/61/71/135266171.db2.gz KSIIPWQUJDZSJT-COPLHBTASA-N 1 0 238.375 2.008 10 0 BEAERO OC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000079062206 135269638 /nfs/dbraw/zinc/26/96/38/135269638.db2.gz YFXFXUHBQMBARD-CQSZACIVSA-N 1 0 219.328 2.281 10 0 BEAERO C[C@H]1CN(C/C=C/c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000261985277 135269709 /nfs/dbraw/zinc/26/97/09/135269709.db2.gz JQRNDNFOJXRADY-OAWOSGDHSA-N 1 0 234.318 2.118 10 0 BEAERO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)C(C)(C)C ZINC000262039139 135274949 /nfs/dbraw/zinc/27/49/49/135274949.db2.gz QAZLYKMGWNOMDI-WDEREUQCSA-N 1 0 240.391 2.254 10 0 BEAERO CCC1(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CCC1 ZINC000262150605 135281961 /nfs/dbraw/zinc/28/19/61/135281961.db2.gz XKXRWNBVATYIPQ-NSHDSACASA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)CC[C@@H](NC(=O)C1C[NH2+]C1)C(C)(C)C ZINC000262173565 135283831 /nfs/dbraw/zinc/28/38/31/135283831.db2.gz CUUHMBCNWFMOAG-GFCCVEGCSA-N 1 0 240.391 2.173 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000262584971 135306855 /nfs/dbraw/zinc/30/68/55/135306855.db2.gz SCTBBQCGDMDARB-NWDGAFQWSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](CC1CC1)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263184211 135338219 /nfs/dbraw/zinc/33/82/19/135338219.db2.gz HDAVMIAIVVBPCR-MPKXVKKWSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@H]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000080456583 135374690 /nfs/dbraw/zinc/37/46/90/135374690.db2.gz ZILZQYBJUOCBDI-WTIISPKJSA-N 1 0 238.375 2.199 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000085356891 135482317 /nfs/dbraw/zinc/48/23/17/135482317.db2.gz VKTJMHFVVXYNQV-SCZZXKLOSA-N 1 0 240.253 2.031 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089450474 135535538 /nfs/dbraw/zinc/53/55/38/135535538.db2.gz SZJWPXIVYJXRNT-FVCCEPFGSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C ZINC000089461400 135536048 /nfs/dbraw/zinc/53/60/48/135536048.db2.gz GMLFMOOCOSLTDB-FDYHWXHSSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000093963514 135609689 /nfs/dbraw/zinc/60/96/89/135609689.db2.gz CWDLLPFZFAAFOV-ONGXEEELSA-N 1 0 221.348 2.216 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC=CCC1 ZINC000113227889 135772867 /nfs/dbraw/zinc/77/28/67/135772867.db2.gz IJJORKOBCCMAJH-HZSPNIEDSA-N 1 0 248.370 2.038 10 0 BEAERO FC(F)(F)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334984351 135857855 /nfs/dbraw/zinc/85/78/55/135857855.db2.gz XOJOYDZKWPQTMK-NXEZZACHSA-N 1 0 236.281 2.013 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCCn2ccnc2C)o1 ZINC000348364491 136073063 /nfs/dbraw/zinc/07/30/63/136073063.db2.gz YNFRARAWWGPJJL-LLVKDONJSA-N 1 0 248.330 2.229 10 0 BEAERO C[C@@H]1CCC[C@H](C)C[N@H+]1CCC1(O)CC1 ZINC000335375038 136085245 /nfs/dbraw/zinc/08/52/45/136085245.db2.gz VPKARLOILRQOBE-NWDGAFQWSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@H]1CCC[C@H](C)[N@H+](CCC2(O)CC2)C1 ZINC000335375039 136085266 /nfs/dbraw/zinc/08/52/66/136085266.db2.gz VPKARLOILRQOBE-RYUDHWBXSA-N 1 0 211.349 2.412 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC1CCCCC1 ZINC000054290776 322856073 /nfs/dbraw/zinc/85/60/73/322856073.db2.gz ALYNMFQNHBRKCM-ZDUSSCGKSA-N 1 0 238.375 2.073 10 0 BEAERO COc1ccc([C@@H](C)C[NH2+]CC(C)(C)O)cc1 ZINC000182216683 397861139 /nfs/dbraw/zinc/86/11/39/397861139.db2.gz USZHFCJVJZNUEA-NSHDSACASA-N 1 0 237.343 2.159 10 0 BEAERO Clc1ccccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309509430 397861219 /nfs/dbraw/zinc/86/12/19/397861219.db2.gz OPYJHENHCLCBBH-CNDDSTCGSA-N 1 0 237.730 2.322 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1nccc(C(C)(C)C)n1 ZINC000310351500 397881506 /nfs/dbraw/zinc/88/15/06/397881506.db2.gz QSQFDJFWKLVXPW-JTQLQIEISA-N 1 0 236.363 2.313 10 0 BEAERO C[C@@H]([NH3+])/C=C/c1ccc(Br)cn1 ZINC000231750755 397943602 /nfs/dbraw/zinc/94/36/02/397943602.db2.gz XPPMGYNCRXTDFC-NUOXCJHRSA-N 1 0 227.105 2.205 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(N)c(F)c1 ZINC000020550861 397966650 /nfs/dbraw/zinc/96/66/50/397966650.db2.gz ZXIYVLSDDBRGRI-GXSJLCMTSA-N 1 0 238.306 2.238 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](N=c2[nH]c3ccccc3s2)C1 ZINC000382415274 397947494 /nfs/dbraw/zinc/94/74/94/397947494.db2.gz HCDINXZPOQWKOL-VHSXEESVSA-N 1 0 247.367 2.400 10 0 BEAERO Cc1cc(Br)ccc1C1=[NH+]CCN1 ZINC000149789699 397912352 /nfs/dbraw/zinc/91/23/52/397912352.db2.gz NEKLLMYQAVPYBG-UHFFFAOYSA-N 1 0 239.116 2.107 10 0 BEAERO C[C@H]1C[C@]1([NH3+])Cc1cncc(Br)c1 ZINC000575467482 397993327 /nfs/dbraw/zinc/99/33/27/397993327.db2.gz VJWJXTCTLNWBLC-XVKPBYJWSA-N 1 0 241.132 2.124 10 0 BEAERO CCOC(=O)[C@H]1CCCCC[N@@H+]1C(C)C ZINC000259719063 397994115 /nfs/dbraw/zinc/99/41/15/397994115.db2.gz MTQLUJPXUJJUPV-LLVKDONJSA-N 1 0 213.321 2.203 10 0 BEAERO c1ccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000021512254 397994473 /nfs/dbraw/zinc/99/44/73/397994473.db2.gz BMUHDIVUBLEZQY-LBPRGKRZSA-N 1 0 243.310 2.127 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1c(C)n[nH]c1C ZINC000165024758 398002207 /nfs/dbraw/zinc/00/22/07/398002207.db2.gz PDEJLEZPKBFTBU-CMPLNLGQSA-N 1 0 207.321 2.305 10 0 BEAERO CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@H](O)C1 ZINC000383438737 398020351 /nfs/dbraw/zinc/02/03/51/398020351.db2.gz DEFSANGDOVJMOX-RDBSUJKOSA-N 1 0 241.375 2.038 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000383806699 398037420 /nfs/dbraw/zinc/03/74/20/398037420.db2.gz OWHZAMSISJRSIH-QWHCGFSZSA-N 1 0 240.391 2.269 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000084232022 398039734 /nfs/dbraw/zinc/03/97/34/398039734.db2.gz KKTQFOZLCYPWKF-STQMWFEESA-N 1 0 211.349 2.317 10 0 BEAERO Cc1cc(/C=C/[C@H]2COCC[NH2+]2)cs1 ZINC000307134985 397987015 /nfs/dbraw/zinc/98/70/15/397987015.db2.gz PHRBUWHJXROODL-VUDBWIFFSA-N 1 0 209.314 2.058 10 0 BEAERO COC(=O)[C@@H]1CCCC[N@@H+]1CCC=C(C)C ZINC000595285167 397987093 /nfs/dbraw/zinc/98/70/93/397987093.db2.gz MZZUWLJTCSSXLQ-LBPRGKRZSA-N 1 0 225.332 2.370 10 0 BEAERO c1ccc([C@@H]2N=C(CC[NH+]3CCCC3)ON2)cc1 ZINC000584613869 398078129 /nfs/dbraw/zinc/07/81/29/398078129.db2.gz LIXCEUSUXZDTDX-CQSZACIVSA-N 1 0 245.326 2.104 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1O ZINC000384226453 398078712 /nfs/dbraw/zinc/07/87/12/398078712.db2.gz ACWALQHUONGXNX-QWRGUYRKSA-N 1 0 248.326 2.027 10 0 BEAERO FC(F)(F)c1ccc(N2CC3(C[NH2+]C3)C2)cc1 ZINC000584647693 398080875 /nfs/dbraw/zinc/08/08/75/398080875.db2.gz RPVDFYGDEKBNTC-UHFFFAOYSA-N 1 0 242.244 2.115 10 0 BEAERO F[C@H](CN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000409422827 398084769 /nfs/dbraw/zinc/08/47/69/398084769.db2.gz JFNMCYLKNLBVGA-GFCCVEGCSA-N 1 0 242.725 2.256 10 0 BEAERO CN1CCC[C@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811491 398116194 /nfs/dbraw/zinc/11/61/94/398116194.db2.gz UOWGMRQTZFBSGI-LBPRGKRZSA-N 1 0 208.349 2.003 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000309183866 171390150 /nfs/dbraw/zinc/39/01/50/171390150.db2.gz OFZNSFKUYBTUBU-ZDEQEGDKSA-N 1 0 212.381 2.351 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389712730 398127404 /nfs/dbraw/zinc/12/74/04/398127404.db2.gz XOJPGCWEIOOOKL-ZWNOBZJWSA-N 1 0 248.374 2.318 10 0 BEAERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCCO1 ZINC000188781047 398130279 /nfs/dbraw/zinc/13/02/79/398130279.db2.gz CKQZXRSNMMWANF-BFHYXJOUSA-N 1 0 239.359 2.199 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc(OC)s1 ZINC000389738854 398131158 /nfs/dbraw/zinc/13/11/58/398131158.db2.gz VFNILYXJJLULSH-SCZZXKLOSA-N 1 0 226.345 2.430 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]CCC1(O)CCC1 ZINC000397730530 398122133 /nfs/dbraw/zinc/12/21/33/398122133.db2.gz FICAYPOAIHONLJ-CYBMUJFWSA-N 1 0 247.338 2.274 10 0 BEAERO CC(C)COC(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000019843882 167021104 /nfs/dbraw/zinc/02/11/04/167021104.db2.gz QFBJDOOMCSFOAB-GFCCVEGCSA-N 1 0 242.363 2.243 10 0 BEAERO CC(C)NC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000020209385 167079579 /nfs/dbraw/zinc/07/95/79/167079579.db2.gz AHBUDCLIZQUKRU-SECBINFHSA-N 1 0 221.304 2.236 10 0 BEAERO CC(C)[NH2+]CCC(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000051733195 167100610 /nfs/dbraw/zinc/10/06/10/167100610.db2.gz VJFVEDNMAWVPFJ-NEPJUHHUSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)[NH2+]CCN1CC2(CCC2)C[C@@H]1C ZINC000309011352 167104028 /nfs/dbraw/zinc/10/40/28/167104028.db2.gz RZOOMGPJIKLPOO-LBPRGKRZSA-N 1 0 210.365 2.249 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@H]1c1nccs1 ZINC000309325876 167105009 /nfs/dbraw/zinc/10/50/09/167105009.db2.gz GOKZTWSBEVASNJ-NSHDSACASA-N 1 0 239.388 2.278 10 0 BEAERO CC(C)[NH2+]CCc1nc2ccccc2n1C ZINC000037474917 167109848 /nfs/dbraw/zinc/10/98/48/167109848.db2.gz OTMLNOQVGKIAOY-UHFFFAOYSA-N 1 0 217.316 2.114 10 0 BEAERO c1ccc2c(c1)cccc2CCN[C@@H]1CC[NH2+]C1 ZINC000258912798 322878228 /nfs/dbraw/zinc/87/82/28/322878228.db2.gz IHNDBLICMJIIGO-OAHLLOKOSA-N 1 0 240.350 2.334 10 0 BEAERO CC(C)[NH2+][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000309080311 167136521 /nfs/dbraw/zinc/13/65/21/167136521.db2.gz OOPDYVJNWQPZLR-GXFFZTMASA-N 1 0 205.301 2.205 10 0 BEAERO CC1(C)CCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000094327480 487529197 /nfs/dbraw/zinc/52/91/97/487529197.db2.gz QSEIWBHLVDGINK-HTAVTVPLSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)[NH2+][C@]1(CN)CCCc2ccccc21 ZINC000050270930 167141991 /nfs/dbraw/zinc/14/19/91/167141991.db2.gz QBZBTMGUYKKTEA-AWEZNQCLSA-N 1 0 218.344 2.175 10 0 BEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000149660437 487560989 /nfs/dbraw/zinc/56/09/89/487560989.db2.gz ZUZDMAPRELCLBC-WCFLWFBJSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@H]([NH3+])CCOc1cc(F)ccc1F ZINC000070819911 176759636 /nfs/dbraw/zinc/75/96/36/176759636.db2.gz KVANAYHVAPEPQA-ZETCQYMHSA-N 1 0 201.216 2.081 10 0 BEAERO CC(C)[C@H]([NH2+][C@H]1CCOC[C@H]1C)C1CC1 ZINC000324274508 487567464 /nfs/dbraw/zinc/56/74/64/487567464.db2.gz ONBSYVASRGJSKG-WXHSDQCUSA-N 1 0 211.349 2.436 10 0 BEAERO C[C@@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)[C@H](C)C1 ZINC000227974965 487574849 /nfs/dbraw/zinc/57/48/49/487574849.db2.gz ZRSMLCFJMWCNJG-YRGRVCCFSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)OCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128524243 167234314 /nfs/dbraw/zinc/23/43/14/167234314.db2.gz UXIUNVCARKASED-KGLIPLIRSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000084447586 322913356 /nfs/dbraw/zinc/91/33/56/322913356.db2.gz PIDVBKJZRWLZBF-CQLXCSJHSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CS1 ZINC000086936203 487588922 /nfs/dbraw/zinc/58/89/22/487588922.db2.gz UIJFFHLQCXQCTF-RHYQMDGZSA-N 1 0 229.389 2.021 10 0 BEAERO CC(C)Oc1ccccc1N1CC[C@H]([NH3+])C1 ZINC000077331095 167311472 /nfs/dbraw/zinc/31/14/72/167311472.db2.gz JGDHOCNIQBBNSN-NSHDSACASA-N 1 0 220.316 2.011 10 0 BEAERO C[C@@H](C[NH3+])N(C)C[C@@H]1CCCCC1(F)F ZINC000324428384 487609069 /nfs/dbraw/zinc/60/90/69/487609069.db2.gz BADGURUPSTXRLK-UWVGGRQHSA-N 1 0 220.307 2.091 10 0 BEAERO C[C@@H](NCC[NH3+])c1ccc(Cl)c(F)c1 ZINC000215021544 409635110 /nfs/dbraw/zinc/63/51/10/409635110.db2.gz WWFMWHHSBYXIAZ-SSDOTTSWSA-N 1 0 216.687 2.088 10 0 BEAERO CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000662340123 409650896 /nfs/dbraw/zinc/65/08/96/409650896.db2.gz UOWCVZWMHCRCLW-KGLIPLIRSA-N 1 0 246.354 2.178 10 0 BEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccccc1C ZINC000662343331 409657402 /nfs/dbraw/zinc/65/74/02/409657402.db2.gz JZYCDFUDOHLVIW-AAEUAGOBSA-N 1 0 234.343 2.170 10 0 BEAERO C[C@]1(C(=O)NCCCC2CCC2)CCCC[NH2+]1 ZINC000662664550 409822643 /nfs/dbraw/zinc/82/26/43/409822643.db2.gz CHFQSGALAFIKGB-CQSZACIVSA-N 1 0 238.375 2.215 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCC1CCC1 ZINC000660833984 409813612 /nfs/dbraw/zinc/81/36/12/409813612.db2.gz WVMBTBKJWSUGRF-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO Brc1ccc([C@@H]2[NH2+]CCCO2)cc1 ZINC000049830860 166099443 /nfs/dbraw/zinc/09/94/43/166099443.db2.gz BMAUQJVSPVOCPV-SNVBAGLBSA-N 1 0 242.116 2.458 10 0 BEAERO Brc1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC000084193089 166101431 /nfs/dbraw/zinc/10/14/31/166101431.db2.gz XIWRQCZKFYOREP-SNVBAGLBSA-N 1 0 241.132 2.223 10 0 BEAERO C[NH2+]Cc1ccccc1CNC(=O)C1CC(C)C1 ZINC000653213789 410166444 /nfs/dbraw/zinc/16/64/44/410166444.db2.gz YFTMKQSYOBWIBI-UHFFFAOYSA-N 1 0 246.354 2.068 10 0 BEAERO Brc1cnc(C2CC[NH2+]CC2)s1 ZINC000044122195 166104108 /nfs/dbraw/zinc/10/41/08/166104108.db2.gz JKCFAWHVWHAWMM-UHFFFAOYSA-N 1 0 247.161 2.373 10 0 BEAERO Brc1cccnc1[C@H]1CCC[NH2+]C1 ZINC000096893774 166102500 /nfs/dbraw/zinc/10/25/00/166102500.db2.gz LANNNPZIQDFOLV-QMMMGPOBSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccccc1[C@@H]1C[NH2+]CO1 ZINC000071533580 166103190 /nfs/dbraw/zinc/10/31/90/166103190.db2.gz AMNOSBQJFZBXSM-VIFPVBQESA-N 1 0 228.089 2.068 10 0 BEAERO Brc1ccccc1N[C@H]1CC[NH2+]C1 ZINC000084193087 166103304 /nfs/dbraw/zinc/10/33/04/166103304.db2.gz JXBDLIQRCYARQP-QMMMGPOBSA-N 1 0 241.132 2.223 10 0 BEAERO Brc1cocc1[C@H]1CC[NH2+]C1 ZINC000082370076 166106067 /nfs/dbraw/zinc/10/60/67/166106067.db2.gz NFSKBNWIWVPXLQ-LURJTMIESA-N 1 0 216.078 2.119 10 0 BEAERO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1cn[nH]c1 ZINC000111356903 410223584 /nfs/dbraw/zinc/22/35/84/410223584.db2.gz OBSSYJGLVAGZBM-LLVKDONJSA-N 1 0 217.272 2.170 10 0 BEAERO Brc1occc1[C@H]1CC[NH2+]C1 ZINC000082370074 166108150 /nfs/dbraw/zinc/10/81/50/166108150.db2.gz JUQFRIJUSCHYSF-LURJTMIESA-N 1 0 216.078 2.119 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[NH2+]C(C)(C)C2)n1 ZINC000122333853 410292517 /nfs/dbraw/zinc/29/25/17/410292517.db2.gz NEQPFJWDJYJSIQ-UHFFFAOYSA-N 1 0 248.374 2.097 10 0 BEAERO C[C@@H](O)C[N@H+](C)Cc1cccc2cnccc21 ZINC000130804913 410407480 /nfs/dbraw/zinc/40/74/80/410407480.db2.gz GWZKKMYGWRWVRZ-LLVKDONJSA-N 1 0 230.311 2.047 10 0 BEAERO Cc1cccc(C[NH2+]Cc2ccc(CO)cc2)n1 ZINC000133070538 410433862 /nfs/dbraw/zinc/43/38/62/410433862.db2.gz WYCTVIWIMSHZBQ-UHFFFAOYSA-N 1 0 242.322 2.172 10 0 BEAERO CC(C)(O)C[NH+]1CCC(C2CCC2)CC1 ZINC000661374128 410590699 /nfs/dbraw/zinc/59/06/99/410590699.db2.gz JQQYRBXXLJECIG-UHFFFAOYSA-N 1 0 211.349 2.269 10 0 BEAERO CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917140 166524144 /nfs/dbraw/zinc/52/41/44/166524144.db2.gz IJRJQXDDGFQODY-NEPJUHHUSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)(C)C(=O)Nc1ccc(CC[NH3+])cc1 ZINC000020224395 166533841 /nfs/dbraw/zinc/53/38/41/166533841.db2.gz LWJJRVRAXNYSBY-UHFFFAOYSA-N 1 0 220.316 2.172 10 0 BEAERO CC(C)(C)Oc1ccc(C(N)=[NH2+])cc1F ZINC000036888114 166686638 /nfs/dbraw/zinc/68/66/38/166686638.db2.gz IRTQLUVNTRKRCF-UHFFFAOYSA-N 1 0 210.252 2.287 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892091 166695234 /nfs/dbraw/zinc/69/52/34/166695234.db2.gz BQSCICIFYOBCAJ-JTQLQIEISA-N 1 0 220.272 2.167 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCC1(C2CC2)CCC1 ZINC000393330706 410677829 /nfs/dbraw/zinc/67/78/29/410677829.db2.gz IDCFBNWTRZPSBE-GFCCVEGCSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)C1CCC(CO)([NH2+]C2CC2)CC1 ZINC000054557698 166756045 /nfs/dbraw/zinc/75/60/45/166756045.db2.gz VMVWLIVLWXEWNU-UHFFFAOYSA-N 1 0 211.349 2.316 10 0 BEAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000393721379 410754520 /nfs/dbraw/zinc/75/45/20/410754520.db2.gz IOZGKRRSVFPQFG-DGCLKSJQSA-N 1 0 211.349 2.412 10 0 BEAERO [NH3+]C[C@H]1CCCN1C[C@@H]1CCCCC1(F)F ZINC000394538827 410802061 /nfs/dbraw/zinc/80/20/61/410802061.db2.gz WHQBGXOUBSPVNB-WDEREUQCSA-N 1 0 232.318 2.235 10 0 BEAERO CC(C)CCOCC[NH2+][C@@H](CN(C)C)C(C)C ZINC000049266063 166876740 /nfs/dbraw/zinc/87/67/40/166876740.db2.gz CKSODRVZYHIUPQ-AWEZNQCLSA-N 1 0 244.423 2.225 10 0 BEAERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCN[C@H]1C ZINC000396640909 410891486 /nfs/dbraw/zinc/89/14/86/410891486.db2.gz MVHRREMUPQUICM-MDZLAQPJSA-N 1 0 238.400 2.409 10 0 BEAERO CC(C)C[NH2+]CC[C@@H](O)c1ccc(F)c(N)c1 ZINC000098126603 167005168 /nfs/dbraw/zinc/00/51/68/167005168.db2.gz YXJAUHQOOVIHEH-CYBMUJFWSA-N 1 0 240.322 2.077 10 0 BEAERO CC(C)C[NH2+]C[C@@H](O)CO[C@H]1CCC[C@@H](C)C1 ZINC000037852087 167005991 /nfs/dbraw/zinc/00/59/91/167005991.db2.gz YALLUAIJXIJKPE-MCIONIFRSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)C[NH2+]C[C@@H]1CCc2ccc(O)cc2O1 ZINC000003959254 167006344 /nfs/dbraw/zinc/00/63/44/167006344.db2.gz SQAQEPLVGLAOHM-ZDUSSCGKSA-N 1 0 235.327 2.331 10 0 BEAERO CC(C)C[NH2+]C[C@H](O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000100236690 167006641 /nfs/dbraw/zinc/00/66/41/167006641.db2.gz YALLUAIJXIJKPE-HZSPNIEDSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1C1CCOCC1 ZINC000054598362 167008640 /nfs/dbraw/zinc/00/86/40/167008640.db2.gz HUYPYXPHRISBNZ-CHWSQXEVSA-N 1 0 211.349 2.295 10 0 BEAERO CC(C)C[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000082688820 167010646 /nfs/dbraw/zinc/01/06/46/167010646.db2.gz RZGMRQGGEBRGBX-UHFFFAOYSA-N 1 0 248.355 2.346 10 0 BEAERO CC(C)C[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000034937583 167013197 /nfs/dbraw/zinc/01/31/97/167013197.db2.gz MYWUGLZUOBCROC-GFCCVEGCSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)C[NH2+][C@](C)(CCc1ccccc1)C(N)=O ZINC000037946234 167015090 /nfs/dbraw/zinc/01/50/90/167015090.db2.gz YLNZPXYJLFSWOB-OAHLLOKOSA-N 1 0 248.370 2.109 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309671629 167028889 /nfs/dbraw/zinc/02/88/89/167028889.db2.gz KAHLJCRYRDGSKN-FRRDWIJNSA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000336653179 167029054 /nfs/dbraw/zinc/02/90/54/167029054.db2.gz GAGYLENCSHCRIL-KSTCHIGDSA-N 1 0 224.392 2.349 10 0 BEAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000151846335 167034023 /nfs/dbraw/zinc/03/40/23/167034023.db2.gz ZRIAZPDUBXZUCJ-YDHLFZDLSA-N 1 0 247.386 2.461 10 0 BEAERO CC(C)NC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063128228 167071903 /nfs/dbraw/zinc/07/19/03/167071903.db2.gz FKGAUTRMOLZIGC-NSHDSACASA-N 1 0 247.342 2.057 10 0 BEAERO CC(C)[NH2+]CC1(O[C@@H]2CCOC2)CCCCC1 ZINC000104120518 167101003 /nfs/dbraw/zinc/10/10/03/167101003.db2.gz SPEJMTJEBVQIBC-CYBMUJFWSA-N 1 0 241.375 2.493 10 0 BEAERO CC(C)[NH2+]CCCCn1c2ccccc2oc1=O ZINC000053522612 167101895 /nfs/dbraw/zinc/10/18/95/167101895.db2.gz XICXTBVQEFLRMR-UHFFFAOYSA-N 1 0 248.326 2.373 10 0 BEAERO CC(C)[NH2+]CCCCc1ccc2[nH]c(=O)oc2c1 ZINC000077423485 167102514 /nfs/dbraw/zinc/10/25/14/167102514.db2.gz IYRBFWNLLWWSNQ-UHFFFAOYSA-N 1 0 248.326 2.442 10 0 BEAERO CC(C)[NH2+]CCCc1nc(-c2cccnc2)c[nH]1 ZINC000037634991 167102980 /nfs/dbraw/zinc/10/29/80/167102980.db2.gz FVNWZGZKYROMAX-UHFFFAOYSA-N 1 0 244.342 2.402 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000043500970 167104526 /nfs/dbraw/zinc/10/45/26/167104526.db2.gz SXAAVWKIGPFVQH-SNVBAGLBSA-N 1 0 238.297 2.259 10 0 BEAERO CC(C)[NH2+]CCc1nc(C(C)(C)C)c[nH]1 ZINC000037480349 167108419 /nfs/dbraw/zinc/10/84/19/167108419.db2.gz FAEGGMFZNYWZPB-UHFFFAOYSA-N 1 0 209.337 2.248 10 0 BEAERO CC(C)[NH2+]CCc1nc2c(cccc2F)[nH]1 ZINC000037474956 167109105 /nfs/dbraw/zinc/10/91/05/167109105.db2.gz AVSINKVOKFETRM-UHFFFAOYSA-N 1 0 221.279 2.243 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCCN1Cc1ccccn1 ZINC000053651629 167111746 /nfs/dbraw/zinc/11/17/46/167111746.db2.gz UWJMEVHPMFYPRF-HNNXBMFYSA-N 1 0 247.386 2.434 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CC[C@@H](COC2CCCC2)O1 ZINC000052600884 167112914 /nfs/dbraw/zinc/11/29/14/167112914.db2.gz UKGMNEXMEFMBMH-KBPBESRZSA-N 1 0 241.375 2.491 10 0 BEAERO CC(C)[NH2+]C[C@@]1(CCOC(C)C)CCOC1 ZINC000054665054 167113561 /nfs/dbraw/zinc/11/35/61/167113561.db2.gz RNQCDJILOGAHRP-ZDUSSCGKSA-N 1 0 229.364 2.206 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCN1C[C@@H]1CCCCO1 ZINC000053649024 167114028 /nfs/dbraw/zinc/11/40/28/167114028.db2.gz JAXUEZQMJGQIFW-KBPBESRZSA-N 1 0 240.391 2.018 10 0 BEAERO CC(C)[NH2+]C[C@H](O)COc1csc(Cl)c1 ZINC000033899201 167115554 /nfs/dbraw/zinc/11/55/54/167115554.db2.gz YKROWALZNVVGSV-QMMMGPOBSA-N 1 0 249.763 2.139 10 0 BEAERO CC(C)[NH2+]Cc1cc(Cl)nc(Cl)n1 ZINC000072194567 167116201 /nfs/dbraw/zinc/11/62/01/167116201.db2.gz KDCAVQIQICQJFJ-UHFFFAOYSA-N 1 0 220.103 2.281 10 0 BEAERO CC(C)[NH2+]Cc1cc(N2CC[C@@H](C)C2)ccn1 ZINC000051448409 167116538 /nfs/dbraw/zinc/11/65/38/167116538.db2.gz JMCMWXZSVNJQCF-GFCCVEGCSA-N 1 0 233.359 2.426 10 0 BEAERO CC(C)[NH2+]C[C@](C)(O)c1c(F)cccc1F ZINC000055033065 167116602 /nfs/dbraw/zinc/11/66/02/167116602.db2.gz YQYXBBVZBIWYSN-LBPRGKRZSA-N 1 0 229.270 2.170 10 0 BEAERO CC(C)[NH2+]Cc1ccccc1N1CCC[C@H]1CO ZINC000042433187 167120771 /nfs/dbraw/zinc/12/07/71/167120771.db2.gz XBCRDICJVCZXOY-AWEZNQCLSA-N 1 0 248.370 2.146 10 0 BEAERO CC(C)[NH2+]Cc1cnc(Cl)nc1Cl ZINC000072194562 167120851 /nfs/dbraw/zinc/12/08/51/167120851.db2.gz NVAHMXACMSTMRU-UHFFFAOYSA-N 1 0 220.103 2.281 10 0 BEAERO CC(C)[NH2+]Cc1ccccc1N1CCC[C@@H]1CO ZINC000042433186 167121022 /nfs/dbraw/zinc/12/10/22/167121022.db2.gz XBCRDICJVCZXOY-CQSZACIVSA-N 1 0 248.370 2.146 10 0 BEAERO CC(C)[NH2+]Cc1cnc(-c2cnn(C)c2)s1 ZINC000040997113 167121183 /nfs/dbraw/zinc/12/11/83/167121183.db2.gz HVEBTRZUNWLXLV-UHFFFAOYSA-N 1 0 236.344 2.042 10 0 BEAERO CC(C)[NH2+]Cc1nccn1CCc1ccncc1 ZINC000051005587 167124337 /nfs/dbraw/zinc/12/43/37/167124337.db2.gz DHUGCBDKIQBUOK-UHFFFAOYSA-N 1 0 244.342 2.019 10 0 BEAERO CC(C)[NH2+][C@H](CO)c1ccccc1Cl ZINC000038115776 167140120 /nfs/dbraw/zinc/14/01/20/167140120.db2.gz QHKHWWNWFJZHMK-LLVKDONJSA-N 1 0 213.708 2.371 10 0 BEAERO CC(C)N[C@H](C[NH3+])c1ccccc1OC(F)F ZINC000050270918 167140536 /nfs/dbraw/zinc/14/05/36/167140536.db2.gz ZAOMPKDIPOPWHA-SNVBAGLBSA-N 1 0 244.285 2.286 10 0 BEAERO CC(C)[NH2+][C@](C)(CO)c1cccc(F)c1 ZINC000038115643 167143015 /nfs/dbraw/zinc/14/30/15/167143015.db2.gz AXYXFDNFEWZDFM-GFCCVEGCSA-N 1 0 211.280 2.031 10 0 BEAERO CC(C)[NH2+][C@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976288 167143036 /nfs/dbraw/zinc/14/30/36/167143036.db2.gz LYWXYOKRHNBEAV-ZBEGNZNMSA-N 1 0 241.331 2.376 10 0 BEAERO CC(C)Nc1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040687507 167151268 /nfs/dbraw/zinc/15/12/68/167151268.db2.gz WFPXASCEWZYGBZ-UHFFFAOYSA-N 1 0 244.302 2.018 10 0 BEAERO CC(C)OCCN(CCC[NH3+])c1ccccc1 ZINC000049259204 167229855 /nfs/dbraw/zinc/22/98/55/167229855.db2.gz MTIHUHJGMNRNFF-UHFFFAOYSA-N 1 0 236.359 2.267 10 0 BEAERO CC(C)OCCN1CCCC[C@H]1C[NH2+]C1CC1 ZINC000053652198 167232322 /nfs/dbraw/zinc/23/23/22/167232322.db2.gz QDDAMQBDBWYMAE-AWEZNQCLSA-N 1 0 240.391 2.018 10 0 BEAERO CC(C)OCC[N@@H+]1Cc2ccc(N)cc2C1 ZINC000049260249 167237601 /nfs/dbraw/zinc/23/76/01/167237601.db2.gz VLPZTAONVJGJJI-UHFFFAOYSA-N 1 0 220.316 2.009 10 0 BEAERO CC(C)OCCOc1ccc(C[C@H](C)[NH3+])cc1 ZINC000049261067 167249645 /nfs/dbraw/zinc/24/96/45/167249645.db2.gz ZVHDLNGMMOUVRL-LBPRGKRZSA-N 1 0 237.343 2.380 10 0 BEAERO CC(C)Oc1cc2c(cc1C[NH2+]C1CC1)OCO2 ZINC000042874932 167288144 /nfs/dbraw/zinc/28/81/44/167288144.db2.gz ITJRJGNZJLDUBD-UHFFFAOYSA-N 1 0 249.310 2.455 10 0 BEAERO CC(C)Oc1ccc([C@@]2(C)C[C@@H]2[NH3+])cc1 ZINC000052126233 167300523 /nfs/dbraw/zinc/30/05/23/167300523.db2.gz CCPMRCYUDRNFIW-QWHCGFSZSA-N 1 0 205.301 2.463 10 0 BEAERO CC(C)Oc1ccc([C@H]([NH3+])Cn2ccnc2)cc1 ZINC000023068023 167300760 /nfs/dbraw/zinc/30/07/60/167300760.db2.gz LMOZWKJGTUMZMA-CQSZACIVSA-N 1 0 245.326 2.370 10 0 BEAERO CC(C)Oc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000071548327 167300964 /nfs/dbraw/zinc/30/09/64/167300964.db2.gz LSYZRLRSKVCHNK-KBPBESRZSA-N 1 0 237.343 2.491 10 0 BEAERO CC(C)Oc1cccc([C@@H](O)CC[NH+](C)C)c1 ZINC000041629333 167308872 /nfs/dbraw/zinc/30/88/72/167308872.db2.gz YEPGBRXWPHNMSK-AWEZNQCLSA-N 1 0 237.343 2.459 10 0 BEAERO CC(C)[C@@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236657386 167356951 /nfs/dbraw/zinc/35/69/51/167356951.db2.gz FQHHRDUQIXXABY-ACJTYDJDSA-N 1 0 238.375 2.068 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055128714 167363929 /nfs/dbraw/zinc/36/39/29/167363929.db2.gz YWXVVWRSJVEAJY-AGIUHOORSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)[C@@H](C)[N@H+](C)[C@@H]1COc2ccccc2[C@@H]1N ZINC000036787137 167369473 /nfs/dbraw/zinc/36/94/73/167369473.db2.gz LHYHBBTVKBRCLC-KYOSRNDESA-N 1 0 248.370 2.424 10 0 BEAERO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1N ZINC000036786513 167369595 /nfs/dbraw/zinc/36/95/95/167369595.db2.gz JOSSDHGMFSJIKR-LLVKDONJSA-N 1 0 249.358 2.184 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000134623161 167385774 /nfs/dbraw/zinc/38/57/74/167385774.db2.gz XYQWFUITOHLRQQ-VXGBXAGGSA-N 1 0 209.337 2.296 10 0 BEAERO CC(C)[C@@H](CCO)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000231077648 167391991 /nfs/dbraw/zinc/39/19/91/167391991.db2.gz ULXMGLMRNWWLLN-DZGCQCFKSA-N 1 0 233.355 2.323 10 0 BEAERO C[C@H](CCC1CC1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000398077903 410941003 /nfs/dbraw/zinc/94/10/03/410941003.db2.gz JGLRWLFRMVRXCW-KGYLQXTDSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)[C@@H](C[NH3+])C(=O)N1CCCCCCC1 ZINC000044799540 167394835 /nfs/dbraw/zinc/39/48/35/167394835.db2.gz GSKXEAUFVCHFRO-GFCCVEGCSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccnc1 ZINC000049195706 167395119 /nfs/dbraw/zinc/39/51/19/167395119.db2.gz SNXYUDPUIOWKHQ-GXTWGEPZSA-N 1 0 235.375 2.318 10 0 BEAERO CC(C)[C@@H](C[NH3+])n1ccc(C(F)(F)F)n1 ZINC000052592541 167396278 /nfs/dbraw/zinc/39/62/78/167396278.db2.gz OCPDMYBUNMRJNI-SSDOTTSWSA-N 1 0 221.226 2.058 10 0 BEAERO CC(C)[C@@H](C[NH3+])Oc1cccc(F)c1F ZINC000062654460 167397212 /nfs/dbraw/zinc/39/72/12/167397212.db2.gz GWJBFSMWKSYQBZ-SNVBAGLBSA-N 1 0 215.243 2.327 10 0 BEAERO CC(C)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000019726155 167397652 /nfs/dbraw/zinc/39/76/52/167397652.db2.gz BVBITGJBHKLMJK-LLVKDONJSA-N 1 0 221.300 2.156 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=S)NCc1ccccc1 ZINC000072122656 167419286 /nfs/dbraw/zinc/41/92/86/167419286.db2.gz FREJHCOBKMNDAK-LLVKDONJSA-N 1 0 222.357 2.087 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1ccc2c(c1)OCCCO2 ZINC000071424777 167422854 /nfs/dbraw/zinc/42/28/54/167422854.db2.gz SENNIEYNXQBFFZ-LBPRGKRZSA-N 1 0 235.327 2.374 10 0 BEAERO CC(C)[C@H]1[NH2+]CCc2cc3c(cc21)OCO3 ZINC000011599137 167514265 /nfs/dbraw/zinc/51/42/65/167514265.db2.gz WNYJOKAGVSMOTB-CYBMUJFWSA-N 1 0 219.284 2.258 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(C)CCC(C)(C)C ZINC000399796422 411065215 /nfs/dbraw/zinc/06/52/15/411065215.db2.gz UAGBAEKATFRSRC-SNVBAGLBSA-N 1 0 214.353 2.008 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CCC(C)(C)C ZINC000399895078 411069149 /nfs/dbraw/zinc/06/91/49/411069149.db2.gz QHLNXWLYUZGJJD-WDEREUQCSA-N 1 0 228.380 2.254 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000399907930 411071049 /nfs/dbraw/zinc/07/10/49/411071049.db2.gz XHORTOBMLLTEAE-GHMZBOCLSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H]1CN(c2nccc3occc32)CC[C@H]1[NH3+] ZINC000300099657 411080818 /nfs/dbraw/zinc/08/08/18/411080818.db2.gz OXZXXMLXPKXHLE-CMPLNLGQSA-N 1 0 245.326 2.391 10 0 BEAERO CC(C)c1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])cc1 ZINC000042455132 167586308 /nfs/dbraw/zinc/58/63/08/167586308.db2.gz WROQZYXRXDZPET-LBPRGKRZSA-N 1 0 248.370 2.477 10 0 BEAERO CCC1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000042581996 411020075 /nfs/dbraw/zinc/02/00/75/411020075.db2.gz XROCBUQGOIRQGH-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO CC[NH+](CC)[C@@H]1CCc2ccccc2[C@H]1N ZINC000020260144 169798038 /nfs/dbraw/zinc/79/80/38/169798038.db2.gz UFJFULDDAOIXSR-ZIAGYGMSSA-N 1 0 218.344 2.343 10 0 BEAERO CC[C@H](NC(=O)C1([NH3+])CCCCC1)C(C)C ZINC000042592900 411022366 /nfs/dbraw/zinc/02/23/66/411022366.db2.gz DZPCRFNYGLSKBT-NSHDSACASA-N 1 0 226.364 2.199 10 0 BEAERO CC(C)c1ccc(C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000071537097 167601186 /nfs/dbraw/zinc/60/11/86/167601186.db2.gz BRJKBMGNGYJCRC-OAHLLOKOSA-N 1 0 233.355 2.467 10 0 BEAERO CC(C)c1ccc(C[C@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000041261372 167601854 /nfs/dbraw/zinc/60/18/54/167601854.db2.gz ITRPYMLPYAXFCB-GJZGRUSLSA-N 1 0 233.355 2.465 10 0 BEAERO CC1CC(c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000309524416 411162926 /nfs/dbraw/zinc/16/29/26/411162926.db2.gz UPIFHBFOVCJMBZ-AMDVSUOASA-N 1 0 207.277 2.008 10 0 BEAERO CC[NH+](CC)[C@](C)(CN)CCC(C)C ZINC000019484370 169802659 /nfs/dbraw/zinc/80/26/59/169802659.db2.gz ZINZNDCIAGRJFX-LBPRGKRZSA-N 1 0 200.370 2.482 10 0 BEAERO CC(C)C[N@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC000045751485 411148851 /nfs/dbraw/zinc/14/88/51/411148851.db2.gz NUXIPAGYTNNNMC-UHFFFAOYSA-N 1 0 226.364 2.022 10 0 BEAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1C ZINC000111263273 411164866 /nfs/dbraw/zinc/16/48/66/411164866.db2.gz KMQWFSHSJBEPQS-CHWSQXEVSA-N 1 0 246.354 2.203 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000657889750 411154807 /nfs/dbraw/zinc/15/48/07/411154807.db2.gz QBJYDYBFQCTKAM-AVGNSLFASA-N 1 0 243.416 2.413 10 0 BEAERO CC(C)c1nccc([C@H]2CCC[NH2+]C2)n1 ZINC000048285383 167692780 /nfs/dbraw/zinc/69/27/80/167692780.db2.gz LZQUSLTZBZYBNL-JTQLQIEISA-N 1 0 205.305 2.067 10 0 BEAERO CC[NH+](CC)[C@H]1CCN(c2ccccc2C=O)C1 ZINC000062980908 169802034 /nfs/dbraw/zinc/80/20/34/169802034.db2.gz HEBFVOAXVURVDM-AWEZNQCLSA-N 1 0 246.354 2.420 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000043512515 411120391 /nfs/dbraw/zinc/12/03/91/411120391.db2.gz AQHGKIYKDJAZLU-FZMZJTMJSA-N 1 0 246.354 2.034 10 0 BEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000048221081 411180367 /nfs/dbraw/zinc/18/03/67/411180367.db2.gz ABWDGESTKKXMGX-OKZRHMCRSA-N 1 0 238.375 2.293 10 0 BEAERO CC[C@H]1SCCS[C@@H]1C(=[NH2+])NC1CC1 ZINC000228187368 411182817 /nfs/dbraw/zinc/18/28/17/411182817.db2.gz CGRNNDRWYCPJDG-BDAKNGLRSA-N 1 0 230.402 2.343 10 0 BEAERO CC[C@@H]([NH2+]C1CC(CO)C1)C1CCCC1 ZINC000658353564 411243860 /nfs/dbraw/zinc/24/38/60/411243860.db2.gz OXABXLXDFIBEGU-KGPNIALWSA-N 1 0 211.349 2.316 10 0 BEAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CCO1 ZINC000300728982 411189406 /nfs/dbraw/zinc/18/94/06/411189406.db2.gz KLEBJHOBLZCKJJ-YNEHKIRRSA-N 1 0 241.375 2.085 10 0 BEAERO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000658353580 411244196 /nfs/dbraw/zinc/24/41/96/411244196.db2.gz PMEUCJRAGXSIFN-KRDKVTMHSA-N 1 0 211.349 2.172 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655697492 411244405 /nfs/dbraw/zinc/24/44/05/411244405.db2.gz QONBMRGSBWAEKO-AGIUHOORSA-N 1 0 242.432 2.344 10 0 BEAERO CC(C)CN(C(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000128951826 411193966 /nfs/dbraw/zinc/19/39/66/411193966.db2.gz HFMFLWPDDLUREW-LBPRGKRZSA-N 1 0 226.364 2.007 10 0 BEAERO CCC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000128961307 411194656 /nfs/dbraw/zinc/19/46/56/411194656.db2.gz UKSWRVIMFZZROG-GFCCVEGCSA-N 1 0 226.364 2.008 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000162610928 411203757 /nfs/dbraw/zinc/20/37/57/411203757.db2.gz LGKRYCIGLTYLMM-RYUDHWBXSA-N 1 0 226.364 2.200 10 0 BEAERO CCC[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccccc1 ZINC000658053032 411219878 /nfs/dbraw/zinc/21/98/78/411219878.db2.gz JMXKOZIQAKWRHZ-CHWSQXEVSA-N 1 0 232.327 2.006 10 0 BEAERO CO[C@](C)(CO)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000655785623 411228040 /nfs/dbraw/zinc/22/80/40/411228040.db2.gz LJLZTXVLRSUTHX-SCRDCRAPSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H](C)CC[C@H]1C ZINC000129112363 411229838 /nfs/dbraw/zinc/22/98/38/411229838.db2.gz UKDYKCXNFJNRIX-UTUOFQBUSA-N 1 0 226.364 2.007 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)CS1 ZINC000655686509 411230273 /nfs/dbraw/zinc/23/02/73/411230273.db2.gz JOGONPWFDUWYHK-UTUOFQBUSA-N 1 0 229.389 2.429 10 0 BEAERO COc1ccccc1[C@H](C)N[C@H]1CCC[NH2+][C@H]1C ZINC000396727751 411240375 /nfs/dbraw/zinc/24/03/75/411240375.db2.gz ZMCPVRFARAPPNX-OBJOEFQTSA-N 1 0 248.370 2.486 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCc2ccsc2C1 ZINC000660150385 411265558 /nfs/dbraw/zinc/26/55/58/411265558.db2.gz PPDUMYTZJVHFIG-GHMZBOCLSA-N 1 0 223.341 2.020 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]Cc2ncn(C)n2)CC(C)(C)C1 ZINC000092851210 411270351 /nfs/dbraw/zinc/27/03/51/411270351.db2.gz ZAKOLTPQSPRPKA-MNOVXSKESA-N 1 0 236.363 2.120 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CS1 ZINC000655719759 411284954 /nfs/dbraw/zinc/28/49/54/411284954.db2.gz LVYIZJFXQGRLIF-RHYQMDGZSA-N 1 0 229.389 2.021 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C2CC(CO)C2)[C@@H](C)C1 ZINC000658358190 411286291 /nfs/dbraw/zinc/28/62/91/411286291.db2.gz YIANIQNULZZJDR-QUANKSPYSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@]1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1(F)F ZINC000658220121 411299203 /nfs/dbraw/zinc/29/92/03/411299203.db2.gz PIBDNNOEQZYJKJ-WYFGTUCQSA-N 1 0 245.313 2.435 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000658357069 411303418 /nfs/dbraw/zinc/30/34/18/411303418.db2.gz QXPGYHRMOGKUNT-OSOQGNGPSA-N 1 0 223.360 2.316 10 0 BEAERO CN(CC(C)(C)[NH3+])c1cccc(C(F)(F)F)n1 ZINC000656609055 411307479 /nfs/dbraw/zinc/30/74/79/411307479.db2.gz KQTLGUBCKVZFMF-UHFFFAOYSA-N 1 0 247.264 2.274 10 0 BEAERO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658241830 411308283 /nfs/dbraw/zinc/30/82/83/411308283.db2.gz OIHCOLHRLVPZPY-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+]C1(CNc2nc(C3CC3)ns2)CCCC1 ZINC000656610477 411308970 /nfs/dbraw/zinc/30/89/70/411308970.db2.gz GZVNTTQVXNFXHD-UHFFFAOYSA-N 1 0 238.360 2.099 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658243781 411310074 /nfs/dbraw/zinc/31/00/74/411310074.db2.gz GUPIWKPIMPBNEN-GXTWGEPZSA-N 1 0 246.354 2.206 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367704343 167910120 /nfs/dbraw/zinc/91/01/20/167910120.db2.gz FHVMSLBDPGKYQV-YFKTTZPYSA-N 1 0 209.333 2.047 10 0 BEAERO CCC[C@@H](CC)NC(=O)C1CCC([NH3+])CC1 ZINC000050405177 411261129 /nfs/dbraw/zinc/26/11/29/411261129.db2.gz PUYLKKANVQOQPM-HTAVTVPLSA-N 1 0 226.364 2.199 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccsc1 ZINC000658350371 411352071 /nfs/dbraw/zinc/35/20/71/411352071.db2.gz CWYHXQDLFHPRFJ-SILCLGDVSA-N 1 0 211.330 2.170 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658351006 411352112 /nfs/dbraw/zinc/35/21/12/411352112.db2.gz JKXZORYQOUJWBR-LKSINWNRSA-N 1 0 219.328 2.417 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000658351309 411353947 /nfs/dbraw/zinc/35/39/47/411353947.db2.gz MZXFDNACTFYURG-RTYFJBAXSA-N 1 0 237.368 2.486 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccccc1 ZINC000658351858 411355233 /nfs/dbraw/zinc/35/52/33/411355233.db2.gz QBVJVMADGGUJFB-XSRFYTQQSA-N 1 0 205.301 2.108 10 0 BEAERO CC[C@H]([NH2+]C1CC(CO)C1)[C@H]1CC1(C)C ZINC000658352044 411355413 /nfs/dbraw/zinc/35/54/13/411355413.db2.gz CFQPCYHJBITZMC-HCWSGVFWSA-N 1 0 211.349 2.172 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CC1CC=CC1 ZINC000659871025 411356173 /nfs/dbraw/zinc/35/61/73/411356173.db2.gz LEUUKBVKTRBLSK-ZDUSSCGKSA-N 1 0 209.333 2.190 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000658352828 411356885 /nfs/dbraw/zinc/35/68/85/411356885.db2.gz BDQFEKLDBHCEPW-CCAROEGRSA-N 1 0 223.360 2.316 10 0 BEAERO OCC1CC([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000658352806 411356979 /nfs/dbraw/zinc/35/69/79/411356979.db2.gz AXWRIXCGUASUCB-UHFFFAOYSA-N 1 0 231.339 2.293 10 0 BEAERO COCCCC[NH2+]C[C@]1(C)CCCS1 ZINC000130874155 411368663 /nfs/dbraw/zinc/36/86/63/411368663.db2.gz OVQFDAGWFOJRKO-NSHDSACASA-N 1 0 217.378 2.288 10 0 BEAERO Cc1cc2ccccc2nc1N1CC[C@@H](C[NH3+])C1 ZINC000063106357 411341753 /nfs/dbraw/zinc/34/17/53/411341753.db2.gz AYMQOVUYEBFEED-LBPRGKRZSA-N 1 0 241.338 2.328 10 0 BEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH+]1CCNCC1)C2 ZINC000039581741 168003717 /nfs/dbraw/zinc/00/37/17/168003717.db2.gz IICWXHFZZQZANF-BZPMIXESSA-N 1 0 222.376 2.106 10 0 BEAERO CC1(C)[C@H]([NH2+]C2CC(F)(F)C2)[C@@H]2CCO[C@H]21 ZINC000309418816 168004626 /nfs/dbraw/zinc/00/46/26/168004626.db2.gz JORHBYPAMPLLNM-IVZWLZJFSA-N 1 0 231.286 2.187 10 0 BEAERO CC1(C[NH2+]CC(=O)NC2CCCC2)CCCC1 ZINC000104435004 168041033 /nfs/dbraw/zinc/04/10/33/168041033.db2.gz DYXPDYXSFIQHMP-UHFFFAOYSA-N 1 0 238.375 2.215 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC(C)C1 ZINC000348117635 168145598 /nfs/dbraw/zinc/14/55/98/168145598.db2.gz MFRTUJKJUBXLEP-MVKMKZAISA-N 1 0 211.349 2.436 10 0 BEAERO CC1CCC(C[NH3+])(N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019484277 168152690 /nfs/dbraw/zinc/15/26/90/168152690.db2.gz KINSKZLQYXMVOZ-QPPOZKHWSA-N 1 0 240.391 2.003 10 0 BEAERO CC1CCC(C[NH3+])(OCC2CCOCC2)CC1 ZINC000052150948 168153241 /nfs/dbraw/zinc/15/32/41/168153241.db2.gz HPVGKYCCXMJCOX-UHFFFAOYSA-N 1 0 241.375 2.337 10 0 BEAERO CC1CCC(C[NH3+])(N2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000035783587 168153424 /nfs/dbraw/zinc/15/34/24/168153424.db2.gz DXCUZOGYDXMTFA-YIFLHPOLSA-N 1 0 240.391 2.003 10 0 BEAERO CC1CCC(C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000019484275 168154198 /nfs/dbraw/zinc/15/41/98/168154198.db2.gz KINSKZLQYXMVOZ-AKJUYKBHSA-N 1 0 240.391 2.003 10 0 BEAERO CC1CCC(C[NH2+]CCCn2ccnn2)CC1 ZINC000126403730 168154759 /nfs/dbraw/zinc/15/47/59/168154759.db2.gz HPDMDDUDJSLTNK-UHFFFAOYSA-N 1 0 236.363 2.084 10 0 BEAERO C[C@@H](C[NH2+]CC1CCC(C)CC1)N(C)C ZINC000084339330 168155690 /nfs/dbraw/zinc/15/56/90/168155690.db2.gz JJGIBBJYPDAVIC-CPCZMJQVSA-N 1 0 212.381 2.352 10 0 BEAERO CC1CCC(C[NH2+]CC2([S@@](C)=O)CC2)CC1 ZINC000336776664 168155709 /nfs/dbraw/zinc/15/57/09/168155709.db2.gz GGMMXCZMAXHDOD-ZEPSKSRBSA-N 1 0 243.416 2.313 10 0 BEAERO CC1CCC(CO)([NH2+]Cc2ccco2)CC1 ZINC000053112950 168156825 /nfs/dbraw/zinc/15/68/25/168156825.db2.gz QXHYCCGDULXNGP-UHFFFAOYSA-N 1 0 223.316 2.310 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=O)N(C)C1CCC(C)CC1 ZINC000037805498 168158246 /nfs/dbraw/zinc/15/82/46/168158246.db2.gz HNJHEDXTILLXDM-HTAVTVPLSA-N 1 0 226.364 2.007 10 0 BEAERO CC1CCC([NH3+])(c2noc(C(F)(F)F)n2)CC1 ZINC000036764950 168160317 /nfs/dbraw/zinc/16/03/17/168160317.db2.gz DQLUWGMLARFAMD-UHFFFAOYSA-N 1 0 249.236 2.453 10 0 BEAERO CC(C)c1nnc(C2([NH3+])CCC(C)CC2)[nH]1 ZINC000041058467 168160602 /nfs/dbraw/zinc/16/06/02/168160602.db2.gz HBEJKEXTNKDAIU-UHFFFAOYSA-N 1 0 222.336 2.292 10 0 BEAERO CC1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000037632816 168160867 /nfs/dbraw/zinc/16/08/67/168160867.db2.gz FJRABLSBSQHDHV-UHFFFAOYSA-N 1 0 240.391 2.460 10 0 BEAERO CC1CCC(NC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055086451 168161748 /nfs/dbraw/zinc/16/17/48/168161748.db2.gz LPIXFMCJRYWHGT-IFWUJCSASA-N 1 0 238.375 2.199 10 0 BEAERO CC1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000309102735 168164382 /nfs/dbraw/zinc/16/43/82/168164382.db2.gz GODUBPTXTJGPHX-SSYPOUIUSA-N 1 0 209.333 2.047 10 0 BEAERO CC1CCC(OC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042164209 168166588 /nfs/dbraw/zinc/16/65/88/168166588.db2.gz KHFHHMLNKAXDAG-CXQJBGSLSA-N 1 0 225.332 2.250 10 0 BEAERO CC1CCC(OC[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052619320 168168546 /nfs/dbraw/zinc/16/85/46/168168546.db2.gz DQWIGOSUNMYJBM-TYUFSLCMSA-N 1 0 227.348 2.088 10 0 BEAERO C[C@H]([NH3+])c1nnc(C2CCC(C)CC2)[nH]1 ZINC000061844033 168169338 /nfs/dbraw/zinc/16/93/38/168169338.db2.gz RDRBLDUEHDNFOJ-MGURRDGZSA-N 1 0 208.309 2.118 10 0 BEAERO C[C@@H]([NH3+])Cc1nc(C2CCC(C)CC2)no1 ZINC000044983074 168169723 /nfs/dbraw/zinc/16/97/23/168169723.db2.gz SWHQNRFKIWSMJR-HWOCKDDLSA-N 1 0 223.320 2.253 10 0 BEAERO CC1CC[NH+]([C@@H]2CCCCC[C@H]2N)CC1 ZINC000023071620 168186729 /nfs/dbraw/zinc/18/67/29/168186729.db2.gz XELKFMCLAAPBCM-CHWSQXEVSA-N 1 0 210.365 2.378 10 0 BEAERO CC1CC[NH+]([C@H](CN)Cc2ccccc2)CC1 ZINC000022163631 168187392 /nfs/dbraw/zinc/18/73/92/168187392.db2.gz YGHOXOZNJPRPAE-HNNXBMFYSA-N 1 0 232.371 2.288 10 0 BEAERO C[C@@H](N)[C@@H]([NH+]1CCC(C)CC1)C(C)(C)C ZINC000043291294 168187405 /nfs/dbraw/zinc/18/74/05/168187405.db2.gz GWKGYWYRBAHDGC-VXGBXAGGSA-N 1 0 212.381 2.480 10 0 BEAERO CCC(=O)CC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000190266805 168202313 /nfs/dbraw/zinc/20/23/13/168202313.db2.gz UCBGWPQIUQYFFR-CYBMUJFWSA-N 1 0 249.358 2.025 10 0 BEAERO CCC(=O)CC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000190222262 168202996 /nfs/dbraw/zinc/20/29/96/168202996.db2.gz BNFHYLBJKVTBMV-CYBMUJFWSA-N 1 0 249.358 2.198 10 0 BEAERO CCC(=O)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000034654933 168213262 /nfs/dbraw/zinc/21/32/62/168213262.db2.gz SLSKVGKMQFCKLA-UHFFFAOYSA-N 1 0 218.300 2.051 10 0 BEAERO CCC(=O)N(CCC[NH3+])c1ccc(C)cc1 ZINC000020232756 168213443 /nfs/dbraw/zinc/21/34/43/168213443.db2.gz BNAKWHIXXDHZCG-UHFFFAOYSA-N 1 0 220.316 2.087 10 0 BEAERO CCC(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000042799366 168233874 /nfs/dbraw/zinc/23/38/74/168233874.db2.gz RXHOJWYDUNSNMC-UHFFFAOYSA-N 1 0 237.690 2.014 10 0 BEAERO CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000054402259 168266060 /nfs/dbraw/zinc/26/60/60/168266060.db2.gz KCVLKJXHWYAECM-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336783212 168278174 /nfs/dbraw/zinc/27/81/74/168278174.db2.gz ZSTAAVBKYKOVJD-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)[NH2+]CC(=O)N1CCCCCC1 ZINC000020036116 168298371 /nfs/dbraw/zinc/29/83/71/168298371.db2.gz CYDXFELBFBEJFH-UHFFFAOYSA-N 1 0 226.364 2.167 10 0 BEAERO CCC(C)(C)[NH2+]CC(=O)NC1CCCCC1 ZINC000020036120 168298398 /nfs/dbraw/zinc/29/83/98/168298398.db2.gz ISUWHGUIAGEZPT-UHFFFAOYSA-N 1 0 226.364 2.214 10 0 BEAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C(C)C ZINC000336776050 168302200 /nfs/dbraw/zinc/30/22/00/168302200.db2.gz DOBYLJDQUYOTNN-WDEREUQCSA-N 1 0 228.380 2.314 10 0 BEAERO CCC(C)(C)c1nc([C@@H]([NH3+])C2CC2)no1 ZINC000054404366 168307388 /nfs/dbraw/zinc/30/73/88/168307388.db2.gz OVKDWDPGMOIMDX-QMMMGPOBSA-N 1 0 209.293 2.167 10 0 BEAERO CC(C)CC1(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659380741 411407765 /nfs/dbraw/zinc/40/77/65/411407765.db2.gz BTQCVVJXQVEMON-NEPJUHHUSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000658354665 411416795 /nfs/dbraw/zinc/41/67/95/411416795.db2.gz DXYYBZUBLBSNNP-KPFVRQRISA-N 1 0 211.349 2.316 10 0 BEAERO Cc1nc([C@@H](C)[NH2+]C2CC(CO)C2)c(C)s1 ZINC000658357558 411418551 /nfs/dbraw/zinc/41/85/51/411418551.db2.gz VUBYGKUKCLCYKB-CAZGOSDBSA-N 1 0 240.372 2.181 10 0 BEAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1ccc(C)cc1 ZINC000042441316 169879555 /nfs/dbraw/zinc/87/95/55/169879555.db2.gz VZWPYBKFWRVDLP-LBPRGKRZSA-N 1 0 234.343 2.052 10 0 BEAERO CCN(C[C@H](C)C[NH3+])c1ncnc2ccccc21 ZINC000042442529 169890061 /nfs/dbraw/zinc/89/00/61/169890061.db2.gz QHWSRWWHMFUXTE-LLVKDONJSA-N 1 0 244.342 2.051 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000122609878 411433974 /nfs/dbraw/zinc/43/39/74/411433974.db2.gz SYKDUSMOVPGJQF-NEPJUHHUSA-N 1 0 248.374 2.082 10 0 BEAERO CC[C@@H]1CN(c2cc(C(C)C)ncn2)CC[C@@H]1[NH3+] ZINC000123052702 411437713 /nfs/dbraw/zinc/43/77/13/411437713.db2.gz DIKSJWABMXZYDW-NEPJUHHUSA-N 1 0 248.374 2.164 10 0 BEAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cccs1 ZINC000070618759 411441150 /nfs/dbraw/zinc/44/11/50/411441150.db2.gz HSUUAOIVERDKLW-JOYOIKCWSA-N 1 0 238.356 2.067 10 0 BEAERO CC[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000128895316 411441899 /nfs/dbraw/zinc/44/18/99/411441899.db2.gz KGIKQETVGXBAPL-RYUDHWBXSA-N 1 0 226.364 2.151 10 0 BEAERO CC[N@H+](Cc1ccc(N)nc1)C1CCCC1 ZINC000050813549 169907204 /nfs/dbraw/zinc/90/72/04/169907204.db2.gz ZWIRCYWZOOJRLO-UHFFFAOYSA-N 1 0 219.332 2.428 10 0 BEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000406069815 411450271 /nfs/dbraw/zinc/45/02/71/411450271.db2.gz QVCWCLKBVHVKHN-ZYHUDNBSSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@H]([NH2+]Cc1cnc(C)n1C)C(C)C ZINC000657330253 411467103 /nfs/dbraw/zinc/46/71/03/411467103.db2.gz SUPFELUHERPJCX-GFCCVEGCSA-N 1 0 209.337 2.253 10 0 BEAERO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000660078703 411533999 /nfs/dbraw/zinc/53/39/99/411533999.db2.gz YTPQCJDKCXUCDM-XGUBFFRZSA-N 1 0 234.387 2.203 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657421932 411503227 /nfs/dbraw/zinc/50/32/27/411503227.db2.gz SBNPBENXTAYPBS-GMSGAONNSA-N 1 0 245.244 2.371 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cncc(C)c1 ZINC000189913346 169969962 /nfs/dbraw/zinc/96/99/62/169969962.db2.gz LUQWYBYQFPLFKY-OAHLLOKOSA-N 1 0 247.386 2.306 10 0 BEAERO CC[C@@H](C)C[NH2+]Cc1cn2c(n1)CCCC2 ZINC000336750256 411509946 /nfs/dbraw/zinc/50/99/46/411509946.db2.gz ZJWHRCZSHHTUNN-LLVKDONJSA-N 1 0 221.348 2.355 10 0 BEAERO CCN1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000040502397 169975746 /nfs/dbraw/zinc/97/57/46/169975746.db2.gz PUJIJMPOGYWNFL-ZDUSSCGKSA-N 1 0 210.365 2.393 10 0 BEAERO Cc1c[nH]c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000657456642 411517521 /nfs/dbraw/zinc/51/75/21/411517521.db2.gz WCVBLGLGVOAEGA-GHMZBOCLSA-N 1 0 237.347 2.011 10 0 BEAERO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000660000589 411526815 /nfs/dbraw/zinc/52/68/15/411526815.db2.gz YLTVOFNDYNWLEX-RNJOBUHISA-N 1 0 211.349 2.410 10 0 BEAERO CCN1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000034155292 170001041 /nfs/dbraw/zinc/00/10/41/170001041.db2.gz KCUSNCLJEYORCP-GFCCVEGCSA-N 1 0 224.735 2.306 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000037670752 170010391 /nfs/dbraw/zinc/01/03/91/170010391.db2.gz BFXAHLWXJXFGQG-LBPRGKRZSA-N 1 0 219.332 2.144 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000328380140 170014013 /nfs/dbraw/zinc/01/40/13/170014013.db2.gz VAZMPTJXRHWWDL-DGCLKSJQSA-N 1 0 234.343 2.341 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2ncccc2C)C1 ZINC000051040950 170016913 /nfs/dbraw/zinc/01/69/13/170016913.db2.gz UCNYRBQBCYXQSE-GFCCVEGCSA-N 1 0 219.332 2.144 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000328456096 170020242 /nfs/dbraw/zinc/02/02/42/170020242.db2.gz FJINDQGTOJFRAX-HIFRSBDPSA-N 1 0 232.371 2.474 10 0 BEAERO CCN1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000328199369 170020941 /nfs/dbraw/zinc/02/09/41/170020941.db2.gz RODLHYPMUOXWLJ-AVGNSLFASA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328508650 170022705 /nfs/dbraw/zinc/02/27/05/170022705.db2.gz MNFAHWCGMQPNME-JSGCOSHPSA-N 1 0 218.344 2.431 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000328355344 170022751 /nfs/dbraw/zinc/02/27/51/170022751.db2.gz OTQWKQQFLALOQA-RYUDHWBXSA-N 1 0 222.332 2.333 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777158 170032134 /nfs/dbraw/zinc/03/21/34/170032134.db2.gz HOFINXAYNWHHNV-VXGBXAGGSA-N 1 0 242.432 2.202 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000309034592 170036817 /nfs/dbraw/zinc/03/68/17/170036817.db2.gz HJHCUHJFXFDRSM-AVGNSLFASA-N 1 0 212.381 2.351 10 0 BEAERO CCN1C[C@H]([NH2+][C@H](C)CCC2CC2)[C@@H](C)C1 ZINC000309959774 170037169 /nfs/dbraw/zinc/03/71/69/170037169.db2.gz KKYDHBHGWKIHKH-SCRDCRAPSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000336779665 170039751 /nfs/dbraw/zinc/03/97/51/170039751.db2.gz PCTCJRBLXIDJPX-XDQVBPFNSA-N 1 0 224.392 2.495 10 0 BEAERO CCNC(=O)CC[C@@H](C[NH3+])c1cc(C)ccc1C ZINC000076634656 170052964 /nfs/dbraw/zinc/05/29/64/170052964.db2.gz KDHMACAAJPEZCX-ZDUSSCGKSA-N 1 0 248.370 2.262 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000036780367 170065014 /nfs/dbraw/zinc/06/50/14/170065014.db2.gz JGMVIIUJPKKICS-ZETCQYMHSA-N 1 0 246.763 2.188 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000036780447 170065139 /nfs/dbraw/zinc/06/51/39/170065139.db2.gz ILZGTNZTRLQAPX-ZDUSSCGKSA-N 1 0 248.370 2.399 10 0 BEAERO CCNC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000035138677 170065331 /nfs/dbraw/zinc/06/53/31/170065331.db2.gz LAAVRPCSNWWNMD-SECBINFHSA-N 1 0 240.734 2.127 10 0 BEAERO CCNC(=O)Nc1ccccc1[C@H](C)[NH2+]CC ZINC000035645798 170084959 /nfs/dbraw/zinc/08/49/59/170084959.db2.gz BTMYJTJVNLSKBB-JTQLQIEISA-N 1 0 235.331 2.499 10 0 BEAERO CCNC(=O)[C@@H](C)[NH2+]CC1CCC(CC)CC1 ZINC000037905871 170088070 /nfs/dbraw/zinc/08/80/70/170088070.db2.gz UNMVSICBHAEXCR-PNESKVBLSA-N 1 0 240.391 2.317 10 0 BEAERO CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000035136188 170095707 /nfs/dbraw/zinc/09/57/07/170095707.db2.gz SGVLKLBBMFYEEK-SRVKXCTJSA-N 1 0 240.391 2.315 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(CC(C)C)C1CC1 ZINC000061294824 170106645 /nfs/dbraw/zinc/10/66/45/170106645.db2.gz UBFWYSBBPMRXTJ-UHFFFAOYSA-N 1 0 226.364 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCC(C)(C)CC1 ZINC000061820980 170106673 /nfs/dbraw/zinc/10/66/73/170106673.db2.gz MKEQCVRMYXQACA-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1 ZINC000061287300 170106828 /nfs/dbraw/zinc/10/68/28/170106828.db2.gz OGNBEKLGSRTOMF-UHFFFAOYSA-N 1 0 234.343 2.033 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000061291032 170107364 /nfs/dbraw/zinc/10/73/64/170107364.db2.gz XLHQIYYOLOFRHV-SNVBAGLBSA-N 1 0 238.331 2.153 10 0 BEAERO CC[NH2+]C1CCN(Cc2csc(C)n2)CC1 ZINC000049533914 170108163 /nfs/dbraw/zinc/10/81/63/170108163.db2.gz IJSPPZAZPDLWNE-UHFFFAOYSA-N 1 0 239.388 2.025 10 0 BEAERO CC[NH2+]C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000095091428 170108197 /nfs/dbraw/zinc/10/81/97/170108197.db2.gz CPRMEHFPAXEUQI-UHFFFAOYSA-N 1 0 242.363 2.386 10 0 BEAERO CC[NH2+]C1CCN(Cc2cnc(C)s2)CC1 ZINC000049533889 170108854 /nfs/dbraw/zinc/10/88/54/170108854.db2.gz WHGGTLWYAVMWDT-UHFFFAOYSA-N 1 0 239.388 2.025 10 0 BEAERO CC[NH2+]CC(=O)c1ccc(OC(C)C)cc1 ZINC000041613287 170110265 /nfs/dbraw/zinc/11/02/65/170110265.db2.gz VIJMNGDSQIMCHP-UHFFFAOYSA-N 1 0 221.300 2.266 10 0 BEAERO CC[NH2+]CC1CCN(c2nc(C)cs2)CC1 ZINC000053664428 170111699 /nfs/dbraw/zinc/11/16/99/170111699.db2.gz ZNQHKIQUSSMWOI-UHFFFAOYSA-N 1 0 239.388 2.277 10 0 BEAERO CC[NH2+]CCCOc1cccc(OCC)c1 ZINC000051846974 170112315 /nfs/dbraw/zinc/11/23/15/170112315.db2.gz UYLGOCICYLLESI-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO CC[NH2+]CCCOc1ccc(CCOC)cc1 ZINC000037429309 170112783 /nfs/dbraw/zinc/11/27/83/170112783.db2.gz VLVQYGNWSFVVON-UHFFFAOYSA-N 1 0 237.343 2.254 10 0 BEAERO CC[NH2+]CCSC(F)(F)C(F)(F)F ZINC000095918293 170116777 /nfs/dbraw/zinc/11/67/77/170116777.db2.gz CMCCULLFDXEFKN-UHFFFAOYSA-N 1 0 223.210 2.484 10 0 BEAERO CC[NH2+]CCc1ccc(OC)c(C)c1OC ZINC000107287648 170117567 /nfs/dbraw/zinc/11/75/67/170117567.db2.gz BXDGMCCGFFDVPG-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO CC[NH2+]CCn1c(CC)nc2ccccc21 ZINC000049478564 170118094 /nfs/dbraw/zinc/11/80/94/170118094.db2.gz BHNUXMNHXYENJG-UHFFFAOYSA-N 1 0 217.316 2.208 10 0 BEAERO CC[NH2+]CCc1nnc([C@H]2C[C@H]3CC[C@@H]2C3)o1 ZINC000050619850 170118299 /nfs/dbraw/zinc/11/82/99/170118299.db2.gz NCBJTZHFRYBRIA-AXFHLTTASA-N 1 0 235.331 2.125 10 0 BEAERO CC[NH2+]CCc1cccc2cnccc21 ZINC000061124680 170118444 /nfs/dbraw/zinc/11/84/44/170118444.db2.gz OLXMLXSKZJHEBA-UHFFFAOYSA-N 1 0 200.285 2.387 10 0 BEAERO CC[NH2+]CCc1nnc(C)n1C1CCCCC1 ZINC000051784622 170118531 /nfs/dbraw/zinc/11/85/31/170118531.db2.gz WUBBJSAYNCZTNQ-UHFFFAOYSA-N 1 0 236.363 2.244 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000061227485 170118721 /nfs/dbraw/zinc/11/87/21/170118721.db2.gz IAKBXKGQJILSOI-MRVPVSSYSA-N 1 0 242.269 2.149 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C ZINC000039110205 170119510 /nfs/dbraw/zinc/11/95/10/170119510.db2.gz ZLJWOAIZVSNYAJ-LLVKDONJSA-N 1 0 220.316 2.179 10 0 BEAERO CC[NH2+]C[C@@H](C)c1nc2ccccc2n1C ZINC000061219072 170119517 /nfs/dbraw/zinc/11/95/17/170119517.db2.gz POQGYDGIVQAGNG-SNVBAGLBSA-N 1 0 217.316 2.286 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccccc1OC(C)C ZINC000032014598 170119614 /nfs/dbraw/zinc/11/96/14/170119614.db2.gz YSKNCNIGUHHMLU-GFCCVEGCSA-N 1 0 223.316 2.117 10 0 BEAERO CC[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000032014600 170120161 /nfs/dbraw/zinc/12/01/61/170120161.db2.gz JEVBVBNDNDPCGB-CYBMUJFWSA-N 1 0 223.316 2.117 10 0 BEAERO CC[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000020123136 170120299 /nfs/dbraw/zinc/12/02/99/170120299.db2.gz YNMHECKJNQAQGD-NSHDSACASA-N 1 0 208.305 2.026 10 0 BEAERO CC[NH2+]C[C@@H]1CCCCN1c1nc(C)cs1 ZINC000053698213 170120462 /nfs/dbraw/zinc/12/04/62/170120462.db2.gz HRROJFIAEIMYDG-NSHDSACASA-N 1 0 239.388 2.420 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@]1(C)c1ccc2c(c1)OCCO2 ZINC000054591230 170120875 /nfs/dbraw/zinc/12/08/75/170120875.db2.gz RFBQESDDOUTGCX-SWLSCSKDSA-N 1 0 247.338 2.345 10 0 BEAERO CC[NH2+]C[C@H](C)n1nc(C)c(Cl)c1C ZINC000052574000 170122120 /nfs/dbraw/zinc/12/21/20/170122120.db2.gz IGXHSGVNMCXMDQ-ZETCQYMHSA-N 1 0 215.728 2.324 10 0 BEAERO CC[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000033466163 170122139 /nfs/dbraw/zinc/12/21/39/170122139.db2.gz WWDGZIHOOWZWDZ-LBPRGKRZSA-N 1 0 237.343 2.159 10 0 BEAERO CC[NH2+]C[C@H]1CCCN1c1ncccc1Cl ZINC000053696603 170122327 /nfs/dbraw/zinc/12/23/27/170122327.db2.gz XQVSYWRHROPSMJ-SNVBAGLBSA-N 1 0 239.750 2.313 10 0 BEAERO CC[NH2+]C[C@H](OC[C@@H]1CCOC1)c1ccccc1 ZINC000050501369 170122615 /nfs/dbraw/zinc/12/26/15/170122615.db2.gz HDUFGLHKIGYNEH-HIFRSBDPSA-N 1 0 249.354 2.390 10 0 BEAERO CC[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000032013226 170122730 /nfs/dbraw/zinc/12/27/30/170122730.db2.gz CVCPLRLYQWIWHI-VIFPVBQESA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000001566180 170123002 /nfs/dbraw/zinc/12/30/02/170123002.db2.gz YTKDUDMDCXIKLL-JTQLQIEISA-N 1 0 233.233 2.348 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1ccc(F)c(Cl)c1 ZINC000055032865 170123265 /nfs/dbraw/zinc/12/32/65/170123265.db2.gz LGQIWNAMTGBRQO-NSHDSACASA-N 1 0 231.698 2.296 10 0 BEAERO CC[NH2+]C[C@](O)(CC)c1cc(C)ccc1OC ZINC000033466293 170123747 /nfs/dbraw/zinc/12/37/47/170123747.db2.gz KFOPHUZCXFXCFP-CQSZACIVSA-N 1 0 237.343 2.211 10 0 BEAERO CC[NH2+]Cc1cc(C)nc(-c2cc(C)ccn2)n1 ZINC000104424234 170125122 /nfs/dbraw/zinc/12/51/22/170125122.db2.gz HHAABBRYFZXMTK-UHFFFAOYSA-N 1 0 242.326 2.265 10 0 BEAERO CC[NH2+]Cc1cc(N2CC[C@H](C)C2)ccn1 ZINC000051448402 170125219 /nfs/dbraw/zinc/12/52/19/170125219.db2.gz FDHAPMDZVFOKQJ-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1cc(F)ccc1-n1ccnc1C ZINC000037236870 170125705 /nfs/dbraw/zinc/12/57/05/170125705.db2.gz BJUAYUDCFIQKOP-UHFFFAOYSA-N 1 0 233.290 2.429 10 0 BEAERO CC[NH2+]Cc1ccccc1N(CCOC)C1CC1 ZINC000042519098 170128319 /nfs/dbraw/zinc/12/83/19/170128319.db2.gz OANSNSWALJVODS-UHFFFAOYSA-N 1 0 248.370 2.411 10 0 BEAERO CC[NH2+]Cc1ccccc1N(CCO)C(C)C ZINC000042480229 170128699 /nfs/dbraw/zinc/12/86/99/170128699.db2.gz CEGFTSYTQQZMIU-UHFFFAOYSA-N 1 0 236.359 2.003 10 0 BEAERO CC[NH2+]Cc1cnc(-c2cccs2)nc1 ZINC000054855727 170128985 /nfs/dbraw/zinc/12/89/85/170128985.db2.gz XDYJHVSJOLHCQW-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000040996600 170129014 /nfs/dbraw/zinc/12/90/14/170129014.db2.gz UMBFRZCKXZRPNQ-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1cn2ccc(Cl)cc2n1 ZINC000076792595 170129373 /nfs/dbraw/zinc/12/93/73/170129373.db2.gz JWWPOGCFKMGDDV-UHFFFAOYSA-N 1 0 209.680 2.097 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)CC ZINC000036281610 170129580 /nfs/dbraw/zinc/12/95/80/170129580.db2.gz FECNBABHXYVONK-UHFFFAOYSA-N 1 0 206.289 2.145 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccccc2OC)c1C ZINC000062605837 170130152 /nfs/dbraw/zinc/13/01/52/170130152.db2.gz INGVZFMETJIIBF-UHFFFAOYSA-N 1 0 245.326 2.299 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)n1 ZINC000051174664 170130162 /nfs/dbraw/zinc/13/01/62/170130162.db2.gz DPHKKHOFIDKMQD-UHFFFAOYSA-N 1 0 236.706 2.030 10 0 BEAERO CC[NH2+]Cc1nccn1CCOCCC(C)C ZINC000051004669 170131248 /nfs/dbraw/zinc/13/12/48/170131248.db2.gz SMUHXTBDICMCGO-UHFFFAOYSA-N 1 0 239.363 2.055 10 0 BEAERO CC[NH2+]Cc1nnc(-c2cc(F)ccc2F)o1 ZINC000050615559 170131662 /nfs/dbraw/zinc/13/16/62/170131662.db2.gz ZQQXRULMWJGXKR-UHFFFAOYSA-N 1 0 239.225 2.124 10 0 BEAERO CC[NH2+]Cc1sc(CSC)nc1COC ZINC000082445767 170132778 /nfs/dbraw/zinc/13/27/78/170132778.db2.gz DJKGQDSUEJWBGF-UHFFFAOYSA-N 1 0 246.401 2.262 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000061269117 170139025 /nfs/dbraw/zinc/13/90/25/170139025.db2.gz UFKQGAJEAFVTCZ-QMMMGPOBSA-N 1 0 242.269 2.291 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000061270453 170139031 /nfs/dbraw/zinc/13/90/31/170139031.db2.gz SYCGASHIBNADFE-ONGXEEELSA-N 1 0 238.331 2.153 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000061272075 170139509 /nfs/dbraw/zinc/13/95/09/170139509.db2.gz NFFCXGYUQIEPIQ-RYUDHWBXSA-N 1 0 228.380 2.268 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H](O)c1cc(CC)ccc1OC ZINC000071548282 170141014 /nfs/dbraw/zinc/14/10/14/170141014.db2.gz ZJAONYJPEPYEAO-IINYFYTJSA-N 1 0 237.343 2.289 10 0 BEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(C)o2)o1 ZINC000050618811 170142857 /nfs/dbraw/zinc/14/28/57/170142857.db2.gz IBBHIGLFTYXFSJ-QMMMGPOBSA-N 1 0 221.260 2.309 10 0 BEAERO CC[NH2+][C@@H](CN)c1ccc2cc(OC)ccc2c1 ZINC000050270198 170145354 /nfs/dbraw/zinc/14/53/54/170145354.db2.gz ZOCUZKMXMQWJHZ-HNNXBMFYSA-N 1 0 244.338 2.458 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc(F)c(Cl)c1 ZINC000083264180 170145576 /nfs/dbraw/zinc/14/55/76/170145576.db2.gz NNINNYLFIHDZRN-JTQLQIEISA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H]1COCCO1 ZINC000055300045 170147652 /nfs/dbraw/zinc/14/76/52/170147652.db2.gz DHHYXXNKXQERLW-GJZGRUSLSA-N 1 0 249.354 2.369 10 0 BEAERO CC[NH2+][C@@H](c1cccnc1)c1ccccn1 ZINC000037761915 170148479 /nfs/dbraw/zinc/14/84/79/170148479.db2.gz OIQZXYYGLXWXJS-ZDUSSCGKSA-N 1 0 213.284 2.176 10 0 BEAERO CC[NH2+][C@@H](c1ccco1)[C@@H]1CCCOC1 ZINC000062234550 170148866 /nfs/dbraw/zinc/14/88/66/170148866.db2.gz UGRFARVEKRSUDG-ZYHUDNBSSA-N 1 0 209.289 2.357 10 0 BEAERO CC[NH2+][C@H](c1cccs1)c1cnccn1 ZINC000040237957 170149307 /nfs/dbraw/zinc/14/93/07/170149307.db2.gz DYNQASYYFLKPMC-NSHDSACASA-N 1 0 219.313 2.237 10 0 BEAERO CC[NH2+][C@@H](c1cnccn1)C1CCCC1 ZINC000037469126 170150095 /nfs/dbraw/zinc/15/00/95/170150095.db2.gz SIGJYGUALHGEIN-GFCCVEGCSA-N 1 0 205.305 2.317 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@H]1Cc1cnn(C)c1 ZINC000050540754 170150204 /nfs/dbraw/zinc/15/02/04/170150204.db2.gz KHFMCAAFEGAGCS-QWHCGFSZSA-N 1 0 221.348 2.131 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)CCCC(C)C)C1=O ZINC000049649113 170151413 /nfs/dbraw/zinc/15/14/13/170151413.db2.gz RBKACTIUXQNQFX-QWHCGFSZSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccncc2)[C@H](C)C1 ZINC000049712481 170151505 /nfs/dbraw/zinc/15/15/05/170151505.db2.gz BXXQYKZPLWJFAK-TZMCWYRMSA-N 1 0 233.359 2.044 10 0 BEAERO CC[NH2+][C@@H]1CCN(C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000042864333 170151668 /nfs/dbraw/zinc/15/16/68/170151668.db2.gz ZZGOABCGMJXKFP-RWMBFGLXSA-N 1 0 238.375 2.023 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@H]1n1nc(C)cc1C ZINC000043994968 170151723 /nfs/dbraw/zinc/15/17/23/170151723.db2.gz PANRRIMJYOVGNM-VXGBXAGGSA-N 1 0 207.321 2.203 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@H](C)c2cccs2)C1=O ZINC000049648757 170152863 /nfs/dbraw/zinc/15/28/63/170152863.db2.gz VZOADVKOOATAHI-NXEZZACHSA-N 1 0 238.356 2.020 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cc(F)ccc2F)C1 ZINC000037240911 170152934 /nfs/dbraw/zinc/15/29/34/170152934.db2.gz UCVLHPYHOZQXMF-SNVBAGLBSA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1 ZINC000037242126 170153198 /nfs/dbraw/zinc/15/31/98/170153198.db2.gz ZLSXLLDAAXERDT-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO CC[NH2+][C@@H]1CCOc2c(OC)cccc21 ZINC000035652566 170153290 /nfs/dbraw/zinc/15/32/90/170153290.db2.gz YKEKEPPOSVSNCJ-SNVBAGLBSA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@@H]1CCOC[C@@H]1Cc1ccccc1F ZINC000095091519 170153299 /nfs/dbraw/zinc/15/32/99/170153299.db2.gz DKVPSADGTGZNOU-GXTWGEPZSA-N 1 0 237.318 2.383 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000037241381 170153308 /nfs/dbraw/zinc/15/33/08/170153308.db2.gz OCBUSIGUURFRKE-LLVKDONJSA-N 1 0 208.280 2.014 10 0 BEAERO CC[NH2+][C@@H]1CCc2c(OC)ccc(OC)c2C1 ZINC000029215488 170153978 /nfs/dbraw/zinc/15/39/78/170153978.db2.gz ATLMFLUVUVFTEU-SNVBAGLBSA-N 1 0 235.327 2.171 10 0 BEAERO CC[NH2+][C@@H]1CC[S@@](=O)c2cc(F)c(F)cc21 ZINC000040976684 170154107 /nfs/dbraw/zinc/15/41/07/170154107.db2.gz ZOHIKKBCCPKWOK-HWPZZCPQSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@@H]1CC[S@@](=O)c2cc(C)c(C)cc21 ZINC000040975100 170154117 /nfs/dbraw/zinc/15/41/17/170154117.db2.gz VDBKWOHFGIGVGE-WBMJQRKESA-N 1 0 237.368 2.465 10 0 BEAERO CC[NH2+][C@@H]1CC[S@](=O)c2c(F)cc(F)cc21 ZINC000040977139 170154398 /nfs/dbraw/zinc/15/43/98/170154398.db2.gz XOIMWNCQKHPCIR-QLJPJBMISA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@@H]1CC[S@](=O)c2cc(C)c(C)cc21 ZINC000040975104 170154502 /nfs/dbraw/zinc/15/45/02/170154502.db2.gz VDBKWOHFGIGVGE-MLGOLLRUSA-N 1 0 237.368 2.465 10 0 BEAERO CCN[C@@](CC)(C(=O)OCC)c1ccccc1 ZINC000037447196 170155075 /nfs/dbraw/zinc/15/50/75/170155075.db2.gz HWQNJCFYXLZGJR-CQSZACIVSA-N 1 0 235.327 2.465 10 0 BEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1OC ZINC000044042802 170155258 /nfs/dbraw/zinc/15/52/58/170155258.db2.gz YWBYUFVKNKOEKS-QWHCGFSZSA-N 1 0 205.301 2.298 10 0 BEAERO CC[NH2+][C@@](C)(CO)c1c(C)cc(C)cc1C ZINC000038120099 170155360 /nfs/dbraw/zinc/15/53/60/170155360.db2.gz SHDCWZYZZTXOBN-AWEZNQCLSA-N 1 0 221.344 2.429 10 0 BEAERO CC[NH2+][C@H](C)C(=O)c1cc(CC)ccc1OC ZINC000071545975 170156864 /nfs/dbraw/zinc/15/68/64/170156864.db2.gz XNILSUZXYLMOLY-SNVBAGLBSA-N 1 0 235.327 2.438 10 0 BEAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OCC)c(C)c1 ZINC000071548293 170158672 /nfs/dbraw/zinc/15/86/72/170158672.db2.gz BMABRODWIYITKI-RISCZKNCSA-N 1 0 237.343 2.425 10 0 BEAERO CC[NH2+][C@H](C)[C@H]1CCCCN1Cc1cccnc1 ZINC000104428146 170159054 /nfs/dbraw/zinc/15/90/54/170159054.db2.gz VUKMMHHWGXOPOV-UKRRQHHQSA-N 1 0 247.386 2.434 10 0 BEAERO CC[NH2+][C@H](C)c1c(OC)cc(OC)cc1OC ZINC000035543897 170159257 /nfs/dbraw/zinc/15/92/57/170159257.db2.gz YBAYAHWLXBRBAD-SECBINFHSA-N 1 0 239.315 2.383 10 0 BEAERO CC[NH2+][C@H](C)c1cnc(-c2cnccn2)s1 ZINC000054159743 170159718 /nfs/dbraw/zinc/15/97/18/170159718.db2.gz HSGBRYAURJOINL-MRVPVSSYSA-N 1 0 234.328 2.271 10 0 BEAERO CC[NH2+][C@H](CC)c1nnc([C@@H]2CCCCO2)o1 ZINC000061512436 170161382 /nfs/dbraw/zinc/16/13/82/170161382.db2.gz DHFSBQHVOQJIEC-ZJUUUORDSA-N 1 0 239.319 2.372 10 0 BEAERO CC[NH2+][C@H](CC)c1ccc2c(c1)CC(=O)N2 ZINC000035549919 170161872 /nfs/dbraw/zinc/16/18/72/170161872.db2.gz YDPPTRHYKPOWKF-LLVKDONJSA-N 1 0 218.300 2.242 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc(OC)c(C(C)C)c1 ZINC000071548105 170162212 /nfs/dbraw/zinc/16/22/12/170162212.db2.gz YXILGUXMFSHLIK-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+][C@H](C[C@@H]1CCCO1)c1cncc(F)c1 ZINC000049576346 170162246 /nfs/dbraw/zinc/16/22/46/170162246.db2.gz YRBDTSWDKNQQBW-QWHCGFSZSA-N 1 0 238.306 2.440 10 0 BEAERO CC[NH2+][C@H](c1cc(C)ccc1C)[C@H]1COCCO1 ZINC000055300051 170162949 /nfs/dbraw/zinc/16/29/49/170162949.db2.gz DHHYXXNKXQERLW-HUUCEWRRSA-N 1 0 249.354 2.369 10 0 BEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1C[C@@H]1C ZINC000035550136 170163944 /nfs/dbraw/zinc/16/39/44/170163944.db2.gz RHBXGMPDUQBKOB-TURKWSHLSA-N 1 0 244.338 2.488 10 0 BEAERO CC[NH2+][C@H](c1sccc1C)[C@@H]1COCCO1 ZINC000055301119 170164628 /nfs/dbraw/zinc/16/46/28/170164628.db2.gz ZNHNJNGNOADPBF-QWRGUYRKSA-N 1 0 241.356 2.123 10 0 BEAERO CC[NH2+][C@H]1CC(C)(C)Cc2ncncc21 ZINC000050101227 170165566 /nfs/dbraw/zinc/16/55/66/170165566.db2.gz KEQYYUXZOUZCBH-JTQLQIEISA-N 1 0 205.305 2.100 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@@H]1c1cnn(C)c1 ZINC000060715596 170165702 /nfs/dbraw/zinc/16/57/02/170165702.db2.gz QFCKFWGWKQITSD-NEPJUHHUSA-N 1 0 207.321 2.056 10 0 BEAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1cnn(C)c1 ZINC000060717147 170165825 /nfs/dbraw/zinc/16/58/25/170165825.db2.gz NTPNFDICNXJSOC-OLZOCXBDSA-N 1 0 221.348 2.446 10 0 BEAERO CC[NH2+][C@H]1CCCCC[C@H]1c1cnn(C)c1 ZINC000060717150 170166263 /nfs/dbraw/zinc/16/62/63/170166263.db2.gz NTPNFDICNXJSOC-STQMWFEESA-N 1 0 221.348 2.446 10 0 BEAERO CC[NH2+][C@H]1CCN(CCCc2ccccc2)C1 ZINC000037719614 170166621 /nfs/dbraw/zinc/16/66/21/170166621.db2.gz SJGYGBPISBAGSR-HNNXBMFYSA-N 1 0 232.371 2.303 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@H]1n1ccnc1C ZINC000043993788 170166883 /nfs/dbraw/zinc/16/68/83/170166883.db2.gz JGCYUMOGNFLGAV-NWDGAFQWSA-N 1 0 207.321 2.285 10 0 BEAERO CC[NH2+][C@H]1CCC[C@@H]1N1CCCCCC1 ZINC000043812170 170166925 /nfs/dbraw/zinc/16/69/25/170166925.db2.gz OKOOQYQBGZMTOQ-STQMWFEESA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@H]1CCC[S@](=O)c2c(F)cccc21 ZINC000040976276 170167057 /nfs/dbraw/zinc/16/70/57/170167057.db2.gz NHCKQJDJQDTBDJ-MEDUHNTESA-N 1 0 241.331 2.378 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(C)c2C)C1 ZINC000037241808 170167457 /nfs/dbraw/zinc/16/74/57/170167457.db2.gz ZDZBXCAHMFIHAJ-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2cccs2)C1 ZINC000037483674 170167465 /nfs/dbraw/zinc/16/74/65/170167465.db2.gz JGHZKUMZVDCIAS-QWRGUYRKSA-N 1 0 224.373 2.493 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2cccc(F)c2)C1 ZINC000037242279 170167506 /nfs/dbraw/zinc/16/75/06/170167506.db2.gz WRZAGQKVMPGGAR-ZDUSSCGKSA-N 1 0 222.307 2.010 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccccn2)[C@H](C)C1 ZINC000049712262 170167817 /nfs/dbraw/zinc/16/78/17/170167817.db2.gz USPCBTCCTHASNJ-OLZOCXBDSA-N 1 0 233.359 2.044 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2cccnc2)C[C@@H]1C ZINC000049712728 170167833 /nfs/dbraw/zinc/16/78/33/170167833.db2.gz SMMSFPONGPANEK-YDHLFZDLSA-N 1 0 247.386 2.463 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H]2CCCC[C@@H]2CC)C1=O ZINC000049649022 170168086 /nfs/dbraw/zinc/16/80/86/170168086.db2.gz QKWBCDYCIHZWSZ-RWMBFGLXSA-N 1 0 238.375 2.166 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(C)ccc2C)C1=O ZINC000049647116 170168233 /nfs/dbraw/zinc/16/82/33/170168233.db2.gz GBDWNOLCGJPFDJ-LBPRGKRZSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2cccnc2)[C@H](C)C1 ZINC000049712460 170168351 /nfs/dbraw/zinc/16/83/51/170168351.db2.gz LYWQARZMLKBNJU-OCCSQVGLSA-N 1 0 233.359 2.044 10 0 BEAERO CC[NH2+][C@H]1COc2c1cc(C)cc2OC ZINC000035652545 170168486 /nfs/dbraw/zinc/16/84/86/170168486.db2.gz VXFMZOVWYGBFKN-JTQLQIEISA-N 1 0 207.273 2.047 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccccc2OCC)C1 ZINC000037241093 170168791 /nfs/dbraw/zinc/16/87/91/170168791.db2.gz QJERDLBKAGMMJU-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO CC[NH2+][C@H]1CC[S@@](=O)c2cc(F)c(F)cc21 ZINC000040976686 170168873 /nfs/dbraw/zinc/16/88/73/170168873.db2.gz ZOHIKKBCCPKWOK-QFYYESIMSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@H]1CCOc2cc(OC)ccc21 ZINC000082504659 170169150 /nfs/dbraw/zinc/16/91/50/170169150.db2.gz FDKRIARYLLVKQC-NSHDSACASA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@](C)(CO)c1c(C)cc(C)cc1C ZINC000038120100 170170492 /nfs/dbraw/zinc/17/04/92/170170492.db2.gz SHDCWZYZZTXOBN-CQSZACIVSA-N 1 0 221.344 2.429 10 0 BEAERO CCOC(=O)CC[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000038611813 170211533 /nfs/dbraw/zinc/21/15/33/170211533.db2.gz ZRFQIXZAJFYQED-RYUDHWBXSA-N 1 0 227.348 2.450 10 0 BEAERO CCOC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564109 170219482 /nfs/dbraw/zinc/21/94/82/170219482.db2.gz HMWDNHPLNUBDLI-AWEZNQCLSA-N 1 0 237.343 2.372 10 0 BEAERO CCOC(=O)[C@@]1(c2ccccc2)CCC[NH2+]CC1 ZINC000005722325 170263507 /nfs/dbraw/zinc/26/35/07/170263507.db2.gz VUAIRCAKYUJYJY-HNNXBMFYSA-N 1 0 247.338 2.261 10 0 BEAERO CCOC(=O)c1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043325319 170298342 /nfs/dbraw/zinc/29/83/42/170298342.db2.gz JCECMRLLLIDKLF-CYBMUJFWSA-N 1 0 248.326 2.027 10 0 BEAERO CCOC(C)(C)C[NH2+]Cc1cccn1CC ZINC000166987631 170313263 /nfs/dbraw/zinc/31/32/63/170313263.db2.gz GRZLVHMVUKEJIX-UHFFFAOYSA-N 1 0 224.348 2.413 10 0 BEAERO CCOC1CC[NH+](CC(CC)(CC)CO)CC1 ZINC000051293969 170332897 /nfs/dbraw/zinc/33/28/97/170332897.db2.gz OTFSARRTVMNKEK-UHFFFAOYSA-N 1 0 243.391 2.286 10 0 BEAERO CCOCCCC[NH2+]CCN(C)CC(C)(C)C ZINC000053440761 170369223 /nfs/dbraw/zinc/36/92/23/170369223.db2.gz OMXYBALCPAKSTC-UHFFFAOYSA-N 1 0 244.423 2.371 10 0 BEAERO CCOCCC[N@@H+]1C[C@H](CC)NC[C@H]1C(C)C ZINC000083370839 170376139 /nfs/dbraw/zinc/37/61/39/170376139.db2.gz OKGFLSABEURVJR-KBPBESRZSA-N 1 0 242.407 2.121 10 0 BEAERO CCOCCC[NH2+]CCN(CC1CC1)C(C)C ZINC000053445006 170380351 /nfs/dbraw/zinc/38/03/51/170380351.db2.gz ACAYEKDKDQHQSL-UHFFFAOYSA-N 1 0 242.407 2.123 10 0 BEAERO CCOCCC[NH2+]C[C@@H](C)n1ccnc1CC ZINC000053541192 170380503 /nfs/dbraw/zinc/38/05/03/170380503.db2.gz BKBGBYAIONLRHL-GFCCVEGCSA-N 1 0 239.363 2.023 10 0 BEAERO CCOCCC[NH2+]CCn1cnc2ccccc21 ZINC000053521671 170380763 /nfs/dbraw/zinc/38/07/63/170380763.db2.gz LYHHTLGWJDYRTP-UHFFFAOYSA-N 1 0 247.342 2.053 10 0 BEAERO CCOCCC[NH2+]CCn1ncc2ccccc21 ZINC000053537030 170380860 /nfs/dbraw/zinc/38/08/60/170380860.db2.gz RHVUNBSXMJKKKL-UHFFFAOYSA-N 1 0 247.342 2.053 10 0 BEAERO CCOCCC[NH2+]CCN1CCC[C@H](C)CC1 ZINC000104346311 170380978 /nfs/dbraw/zinc/38/09/78/170380978.db2.gz COGGJFJMSZPYBB-AWEZNQCLSA-N 1 0 242.407 2.125 10 0 BEAERO CCOCCC[NH2+][C@H](C)c1ccc(O)cc1 ZINC000019962899 170383292 /nfs/dbraw/zinc/38/32/92/170383292.db2.gz XTYBOILFMRVJAE-LLVKDONJSA-N 1 0 223.316 2.469 10 0 BEAERO CCOCCO[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973699 170420924 /nfs/dbraw/zinc/42/09/24/170420924.db2.gz OZTMJZYOHJMHSS-ZWNOBZJWSA-N 1 0 241.306 2.267 10 0 BEAERO CC[C@@](C)([NH2+]Cc1cnn(C)c1C)C1CC1 ZINC000657690035 411579311 /nfs/dbraw/zinc/57/93/11/411579311.db2.gz RTRCXUZSIHWXNS-CYBMUJFWSA-N 1 0 221.348 2.397 10 0 BEAERO CCOC[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000190420042 170446233 /nfs/dbraw/zinc/44/62/33/170446233.db2.gz QGEFJIQYJJGEKV-XQQFMLRXSA-N 1 0 243.391 2.452 10 0 BEAERO Cc1ccc(C)c(C[NH2+]C2CC(CO)C2)c1 ZINC000657808538 411601243 /nfs/dbraw/zinc/60/12/43/411601243.db2.gz KIFLIJLXQNZQQK-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO OCC1CC([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000657810317 411602400 /nfs/dbraw/zinc/60/24/00/411602400.db2.gz AOFQELAMZIBWJI-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO CCCc1nccnc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000663662269 411717288 /nfs/dbraw/zinc/71/72/88/411717288.db2.gz TZMUKJKPDVFEES-NEPJUHHUSA-N 1 0 248.374 2.324 10 0 BEAERO CCOc1ccc(-c2n[nH]c(C)c2C[NH3+])cc1 ZINC000066135408 170529773 /nfs/dbraw/zinc/52/97/73/170529773.db2.gz VCGKFZYLFPPAIY-UHFFFAOYSA-N 1 0 231.299 2.243 10 0 BEAERO CCOc1ccc(-c2nnc(CCC[NH3+])o2)cc1 ZINC000050283575 170532959 /nfs/dbraw/zinc/53/29/59/170532959.db2.gz BKRIRHPBHPPSOY-UHFFFAOYSA-N 1 0 247.298 2.027 10 0 BEAERO CCOc1ccc(NC(N)=[NH2+])cc1Cl ZINC000082595310 170549519 /nfs/dbraw/zinc/54/95/19/170549519.db2.gz DUVVXTJZLQSFJR-UHFFFAOYSA-N 1 0 213.668 2.044 10 0 BEAERO CCOc1ccc(O[C@H](C)CC[NH3+])cc1 ZINC000041042704 170556929 /nfs/dbraw/zinc/55/69/29/170556929.db2.gz QFFFDWMLLGLYHI-SNVBAGLBSA-N 1 0 209.289 2.201 10 0 BEAERO CCOc1ccc([C@@](C)(O)C[NH2+]C(C)C)cc1 ZINC000033466222 170561155 /nfs/dbraw/zinc/56/11/55/170561155.db2.gz ILQZPGSMHVLHED-AWEZNQCLSA-N 1 0 237.343 2.291 10 0 BEAERO CCOc1cccc(OC[C@@H](C)C[NH3+])c1 ZINC000041218771 170583564 /nfs/dbraw/zinc/58/35/64/170583564.db2.gz JFUGUPQBPHXYGG-JTQLQIEISA-N 1 0 209.289 2.059 10 0 BEAERO CCc1nnc(C[NH2+][C@H](C)C(C)(C)CC)n1C ZINC000661232330 411737123 /nfs/dbraw/zinc/73/71/23/411737123.db2.gz DEMZDIFVQWNMED-SNVBAGLBSA-N 1 0 238.379 2.292 10 0 BEAERO C[C@H]1OCC[C@@H]1Nc1nccc2c(N)cccc21 ZINC000663755549 411738596 /nfs/dbraw/zinc/73/85/96/411738596.db2.gz JOIGSGNAZNYWQL-RNCFNFMXSA-N 1 0 243.310 2.406 10 0 BEAERO CCCc1nccnc1NCC1=CC[N@H+](C)CC1 ZINC000663775958 411744585 /nfs/dbraw/zinc/74/45/85/411744585.db2.gz NJASINNDZVJAEQ-UHFFFAOYSA-N 1 0 246.358 2.103 10 0 BEAERO CCSCC[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000336754459 170636488 /nfs/dbraw/zinc/63/64/88/170636488.db2.gz HJTPYBVSOAEOBD-RYUDHWBXSA-N 1 0 231.405 2.390 10 0 BEAERO CC[C@@H](C)[NH2+]CC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000042868569 170751016 /nfs/dbraw/zinc/75/10/16/170751016.db2.gz FRNUAHUNLFTPKN-XQQFMLRXSA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@H]1CNc2ccccc2O1 ZINC000040408031 170752858 /nfs/dbraw/zinc/75/28/58/170752858.db2.gz IEOAPYXBAQSXEW-MNOVXSKESA-N 1 0 220.316 2.248 10 0 BEAERO CC[C@@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000041674909 170758477 /nfs/dbraw/zinc/75/84/77/170758477.db2.gz RRYRLLPKWKGUBC-NXEZZACHSA-N 1 0 213.346 2.478 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000042868196 170778260 /nfs/dbraw/zinc/77/82/60/170778260.db2.gz WIAJHUUKKRBRNA-MROQNXINSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@@H](C[NH3+])[C@@H](O)c1ccc(Cl)cc1 ZINC000082371361 170821818 /nfs/dbraw/zinc/82/18/18/170821818.db2.gz MWLVBOJFXAPIFH-GZMMTYOYSA-N 1 0 213.708 2.358 10 0 BEAERO CC[C@@H]([NH2+][C@@H](CC)Cn1cncn1)C(C)C ZINC000336735805 170858653 /nfs/dbraw/zinc/85/86/53/170858653.db2.gz MCMYKJPWWCLLKU-NWDGAFQWSA-N 1 0 224.352 2.081 10 0 BEAERO CC[C@@H]([NH3+])COc1cc(F)cc(F)c1 ZINC000054932737 170865407 /nfs/dbraw/zinc/86/54/07/170865407.db2.gz HFXPHAIHUFXLCI-SECBINFHSA-N 1 0 201.216 2.081 10 0 BEAERO CC[C@@H]([NH3+])Cc1cnn(C2CCCC2)c1 ZINC000054741524 170865930 /nfs/dbraw/zinc/86/59/30/170865930.db2.gz DHVRAWSUFBSTQF-LLVKDONJSA-N 1 0 207.321 2.278 10 0 BEAERO CC[C@@H]([NH3+])Cc1noc(-c2ccc(C)nc2C)n1 ZINC000055331729 170866048 /nfs/dbraw/zinc/86/60/48/170866048.db2.gz UBNBLWVHXHCVGY-SNVBAGLBSA-N 1 0 246.314 2.028 10 0 BEAERO CC[C@@H]([NH3+])[C@H](C)Oc1cccc(F)c1F ZINC000062614191 170868284 /nfs/dbraw/zinc/86/82/84/170868284.db2.gz SZYKSRZQNADDRV-IONNQARKSA-N 1 0 215.243 2.469 10 0 BEAERO CC[C@@H]([NH3+])c1noc(-c2cccc(C)c2)n1 ZINC000041052446 170873635 /nfs/dbraw/zinc/87/36/35/170873635.db2.gz NAPSHTBLTZWPKL-SNVBAGLBSA-N 1 0 217.272 2.455 10 0 BEAERO CC[C@@H]([NH2+]CCOCCOC)C(C)(C)C ZINC000336741286 170895491 /nfs/dbraw/zinc/89/54/91/170895491.db2.gz VKYGHFSNBZROQN-LLVKDONJSA-N 1 0 217.353 2.064 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000124870067 170960096 /nfs/dbraw/zinc/96/00/96/170960096.db2.gz XZKKSKWOBXEQHN-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(C)C ZINC000042579163 170970564 /nfs/dbraw/zinc/97/05/64/170970564.db2.gz RXPJIECUMJNNDI-YNEHKIRRSA-N 1 0 240.391 2.458 10 0 BEAERO CC[C@@H]1CCCC[C@H]1OC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062920437 170971429 /nfs/dbraw/zinc/97/14/29/170971429.db2.gz PCVUJXRCXQMAGX-YRGRVCCFSA-N 1 0 239.359 2.498 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000036170092 170973745 /nfs/dbraw/zinc/97/37/45/170973745.db2.gz OUEOMRWMHBPLFO-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055091108 170979050 /nfs/dbraw/zinc/97/90/50/170979050.db2.gz YJLYYGXIUZHSGR-LPWJVIDDSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000310040780 170996901 /nfs/dbraw/zinc/99/69/01/170996901.db2.gz XWTPXRUEMNXUFR-ITGHMWBKSA-N 1 0 223.360 2.437 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]CCn1cc(C)cn1 ZINC000127258278 171001128 /nfs/dbraw/zinc/00/11/28/171001128.db2.gz CCWYQQQFJCUFHB-CHWSQXEVSA-N 1 0 221.348 2.360 10 0 BEAERO CC[C@@H]1CCN(CCOc2ccccc2)CC[NH2+]1 ZINC000042897850 171011496 /nfs/dbraw/zinc/01/14/96/171011496.db2.gz MGVCUXDNIJBBGW-CQSZACIVSA-N 1 0 248.370 2.139 10 0 BEAERO CC[C@@H]1CN(C2(C[NH3+])CCCCCC2)CCO1 ZINC000036769522 171074763 /nfs/dbraw/zinc/07/47/63/171074763.db2.gz IAOMBPNLEYGFOD-CYBMUJFWSA-N 1 0 240.391 2.149 10 0 BEAERO CC[C@@H]1C[N@@H+](C2CCCCC2)[C@H](C)CN1 ZINC000083088733 171075823 /nfs/dbraw/zinc/07/58/23/171075823.db2.gz OOLCDPWJYZENHY-VXGBXAGGSA-N 1 0 210.365 2.391 10 0 BEAERO CC[C@@H]1CN(CCOc2ccccc2)[C@H](C)C[NH2+]1 ZINC000083379297 171083024 /nfs/dbraw/zinc/08/30/24/171083024.db2.gz RNGUSMMTJABDBQ-ZIAGYGMSSA-N 1 0 248.370 2.138 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(C)cc2)CC[NH2+]1 ZINC000082925166 171087202 /nfs/dbraw/zinc/08/72/02/171087202.db2.gz QPYHAZIVOKWJTA-CQSZACIVSA-N 1 0 218.344 2.179 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCF ZINC000375714872 171098671 /nfs/dbraw/zinc/09/86/71/171098671.db2.gz RZMHHYQNVMBZNC-CHWSQXEVSA-N 1 0 228.355 2.295 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccco1 ZINC000083364142 171101246 /nfs/dbraw/zinc/10/12/46/171101246.db2.gz POYHKYHCTDQYFL-OCCSQVGLSA-N 1 0 236.359 2.488 10 0 BEAERO CC[C@@H]1CO[C@@H](c2c(F)cccc2F)C[NH2+]1 ZINC000036672886 171109104 /nfs/dbraw/zinc/10/91/04/171109104.db2.gz RWSHEMRANSDBOK-LDYMZIIASA-N 1 0 227.254 2.404 10 0 BEAERO CC[C@@H]1CO[C@H](c2cc(C)oc2C)C[NH2+]1 ZINC000036672700 171113747 /nfs/dbraw/zinc/11/37/47/171113747.db2.gz GQSUYZRITCCLJS-PWSUYJOCSA-N 1 0 209.289 2.336 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccc(C)cc2)C[NH2+]1 ZINC000036672916 171114081 /nfs/dbraw/zinc/11/40/81/171114081.db2.gz OEINTKBGROAEND-OLZOCXBDSA-N 1 0 205.301 2.435 10 0 BEAERO CC[C@@H]1CO[C@H](c2cc(F)ccc2F)C[NH2+]1 ZINC000036672792 171114857 /nfs/dbraw/zinc/11/48/57/171114857.db2.gz NRCTXZGBUBTUJR-SKDRFNHKSA-N 1 0 227.254 2.404 10 0 BEAERO CC[C@@H]1NC(=[NH2+])Nc2cccc(Cl)c21 ZINC000029130546 171144571 /nfs/dbraw/zinc/14/45/71/171144571.db2.gz MICIQKQOEFSTDP-ZETCQYMHSA-N 1 0 209.680 2.341 10 0 in-vivo BEAERO CC[C@@](C)(O)C[N@H+](C)CCc1ncc(C)s1 ZINC000162067511 171178790 /nfs/dbraw/zinc/17/87/90/171178790.db2.gz PRQDSUYJTHQKSB-GFCCVEGCSA-N 1 0 242.388 2.087 10 0 BEAERO CC[C@@](O)(C[NH2+]C1CC1)c1cc(C)ccc1OC ZINC000032104735 171194882 /nfs/dbraw/zinc/19/48/82/171194882.db2.gz MVMXVCUJFCVHHI-OAHLLOKOSA-N 1 0 249.354 2.353 10 0 BEAERO CC[C@@]1(C(=O)NC2(C)CCCC2)CCC[NH2+]C1 ZINC000062859685 171195392 /nfs/dbraw/zinc/19/53/92/171195392.db2.gz YEAWDHKVLBALSS-CQSZACIVSA-N 1 0 238.375 2.215 10 0 BEAERO CC[C@@]1(C(=O)NC2(C)CCCCC2)CC[NH2+]C1 ZINC000062902751 171196266 /nfs/dbraw/zinc/19/62/66/171196266.db2.gz KZSNUEYOBLCDRL-CQSZACIVSA-N 1 0 238.375 2.215 10 0 BEAERO CC[C@@]1(c2ccc(Cl)cc2)C[C@]1(C[NH3+])CO ZINC000062670231 171216055 /nfs/dbraw/zinc/21/60/55/171216055.db2.gz LAMZEGQPPYJCLK-STQMWFEESA-N 1 0 239.746 2.329 10 0 BEAERO CC[C@H](C(=O)N[C@H](C)c1ccc(C)o1)[NH+](C)C ZINC000124796547 171233135 /nfs/dbraw/zinc/23/31/35/171233135.db2.gz GAZZISYFTCJVRH-GHMZBOCLSA-N 1 0 238.331 2.105 10 0 BEAERO CC[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119337110 171252227 /nfs/dbraw/zinc/25/22/27/171252227.db2.gz PAZBZWKQDLXCCI-QWHCGFSZSA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@H](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000304325792 171258397 /nfs/dbraw/zinc/25/83/97/171258397.db2.gz SWPJJVLPAXZZEU-WDEREUQCSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H](C)C[N@H+](C)C[C@H](N)CC(C)C ZINC000037173545 171272550 /nfs/dbraw/zinc/27/25/50/171272550.db2.gz RCZBRNSKRXWELQ-NWDGAFQWSA-N 1 0 200.370 2.338 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000120776630 171280987 /nfs/dbraw/zinc/28/09/87/171280987.db2.gz WDNPOXDAPZBVTM-STQMWFEESA-N 1 0 236.363 2.036 10 0 BEAERO CC[C@H](C)CNC(=O)C1(C[NH3+])CCCCCC1 ZINC000054469905 171282144 /nfs/dbraw/zinc/28/21/44/171282144.db2.gz NUTVKFZXLPRNOY-LBPRGKRZSA-N 1 0 240.391 2.448 10 0 BEAERO CC[C@H](C)CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000054473082 171283848 /nfs/dbraw/zinc/28/38/48/171283848.db2.gz XVPBVUZFVGADTK-ZDEQEGDKSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+](C)[C@@H](C)COC ZINC000042517714 171299141 /nfs/dbraw/zinc/29/91/41/171299141.db2.gz HUWMYJKSJPFJAB-MELADBBJSA-N 1 0 244.423 2.497 10 0 BEAERO CC[C@H](C)N(C)C(=O)CC1CCC([NH3+])CC1 ZINC000055126088 171301824 /nfs/dbraw/zinc/30/18/24/171301824.db2.gz YNVWTTYFMJKAAM-UNXYVOJBSA-N 1 0 226.364 2.151 10 0 BEAERO CC[C@H](C)N(CC)C(=O)C1CCC([NH3+])CC1 ZINC000037481985 171311751 /nfs/dbraw/zinc/31/17/51/171311751.db2.gz CWCDYFVGEUDACW-UNXYVOJBSA-N 1 0 226.364 2.151 10 0 BEAERO CC[C@H](C)[N@H+](CCO)C[C@@H]1Cc2ccccc2O1 ZINC000377165821 171314439 /nfs/dbraw/zinc/31/44/39/171314439.db2.gz RUPBLCFBWNWDQA-JSGCOSHPSA-N 1 0 249.354 2.083 10 0 BEAERO CC[C@H](C)[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000119336500 171315524 /nfs/dbraw/zinc/31/55/24/171315524.db2.gz RGVUJLSNSXKOAD-IHRRRGAJSA-N 1 0 241.375 2.445 10 0 BEAERO CC[C@H](C)[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000119336719 171315719 /nfs/dbraw/zinc/31/57/19/171315719.db2.gz RGVUJLSNSXKOAD-MELADBBJSA-N 1 0 241.375 2.445 10 0 BEAERO CC[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000181124390 171317414 /nfs/dbraw/zinc/31/74/14/171317414.db2.gz DZLHSVOBJWRECT-NSHDSACASA-N 1 0 234.347 2.151 10 0 BEAERO CC[C@H](C)[N@@H+]1C[C@H](C)NC[C@@H]1CC(C)C ZINC000062570945 171321054 /nfs/dbraw/zinc/32/10/54/171321054.db2.gz RSZCDDUGWDIUTM-AVGNSLFASA-N 1 0 212.381 2.493 10 0 BEAERO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042862651 171326411 /nfs/dbraw/zinc/32/64/11/171326411.db2.gz GUCQZGDHKKEEIG-AVGNSLFASA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N1CCC(C)(CC)CC1 ZINC000062957985 171339076 /nfs/dbraw/zinc/33/90/76/171339076.db2.gz VZTCKTILBHBPOQ-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1OC ZINC000020036565 171339105 /nfs/dbraw/zinc/33/91/05/171339105.db2.gz OFXRYLXEAXDHOM-JTQLQIEISA-N 1 0 236.315 2.022 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)Cc1ccccc1 ZINC000062189071 171339532 /nfs/dbraw/zinc/33/95/32/171339532.db2.gz HGBMEJCYKHWQKH-QWHCGFSZSA-N 1 0 248.370 2.122 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](O)c1ccc(N(C)C)cc1 ZINC000033465872 171342333 /nfs/dbraw/zinc/34/23/33/171342333.db2.gz MCJORAMHBRWYGZ-FZMZJTMJSA-N 1 0 236.359 2.174 10 0 BEAERO CC[C@H](C)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000125952497 171343325 /nfs/dbraw/zinc/34/33/25/171343325.db2.gz FNTCSMSDRMFSNU-VIFPVBQESA-N 1 0 208.305 2.287 10 0 BEAERO CC[C@H](C)[NH2+]Cc1cn2c(n1)CCCC2 ZINC000268833483 171344158 /nfs/dbraw/zinc/34/41/58/171344158.db2.gz KQEDIXUXYDZCID-JTQLQIEISA-N 1 0 207.321 2.108 10 0 BEAERO CC[C@H](C)[NH2+][C@@](CC)(C(N)=O)c1ccccc1 ZINC000038065699 171347541 /nfs/dbraw/zinc/34/75/41/171347541.db2.gz MHCSUHAVPAFWEU-SMDDNHRTSA-N 1 0 234.343 2.165 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)CC)[C@@H](O)C(F)(F)F ZINC000336665351 171347865 /nfs/dbraw/zinc/34/78/65/171347865.db2.gz VAMNZKUAPODLFM-XLPZGREQSA-N 1 0 213.243 2.076 10 0 BEAERO CC[C@H](C)[NH2+][C@H](C)Cc1c(C)nn(C)c1C ZINC000120666072 171347995 /nfs/dbraw/zinc/34/79/95/171347995.db2.gz XQOLNBOGVUBYTC-VHSXEESVSA-N 1 0 223.364 2.356 10 0 BEAERO CC[C@H](C)N[C@](C)(CC(C)(C)OC)C(=O)OC ZINC000038066815 171348464 /nfs/dbraw/zinc/34/84/64/171348464.db2.gz OKAIHQCCYLQRME-GXFFZTMASA-N 1 0 245.363 2.121 10 0 BEAERO CC[C@H](C)Oc1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000051781072 171356078 /nfs/dbraw/zinc/35/60/78/171356078.db2.gz ONGNFWCYQBWAEL-UWVGGRQHSA-N 1 0 236.315 2.150 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000122693760 171366949 /nfs/dbraw/zinc/36/69/49/171366949.db2.gz QDGXPFUEQZJIPY-HBNTYKKESA-N 1 0 222.336 2.137 10 0 BEAERO CC[C@H](C)[C@@H](C[NH3+])N1Cc2ccccc2C1 ZINC000050910526 171369150 /nfs/dbraw/zinc/36/91/50/171369150.db2.gz SWVCNTPPYGODPW-SMDDNHRTSA-N 1 0 218.344 2.376 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nnc(C)n1C(C)C ZINC000042030901 171372848 /nfs/dbraw/zinc/37/28/48/171372848.db2.gz FQMPABBMVMOZJU-WCBMZHEXSA-N 1 0 210.325 2.213 10 0 BEAERO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000055137977 171387386 /nfs/dbraw/zinc/38/73/86/171387386.db2.gz QWCMKXCSSKEGFH-OFTGVCEQSA-N 1 0 240.391 2.301 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336735723 171390310 /nfs/dbraw/zinc/39/03/10/171390310.db2.gz LXVDDKXKSDFOGC-GARJFASQSA-N 1 0 226.364 2.068 10 0 BEAERO CC[C@H](C)[C@H](C[NH3+])N(CC)Cc1ccncc1 ZINC000042515335 171391889 /nfs/dbraw/zinc/39/18/89/171391889.db2.gz LDIRZSQQMSWKDR-JSGCOSHPSA-N 1 0 235.375 2.277 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000042273526 171393424 /nfs/dbraw/zinc/39/34/24/171393424.db2.gz JMAZYJQNTUHYKK-LOWDOPEQSA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366343687 171394591 /nfs/dbraw/zinc/39/45/91/171394591.db2.gz CEHFQASNCMDTQR-RNJOBUHISA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nnc2n1CCCCC2 ZINC000036896169 171397584 /nfs/dbraw/zinc/39/75/84/171397584.db2.gz RJDBVEMMCJBBOW-ONGXEEELSA-N 1 0 222.336 2.050 10 0 BEAERO [NH3+]CC12CC(C1)CN2C[C@H]1CCCCC1(F)F ZINC000662305605 412090798 /nfs/dbraw/zinc/09/07/98/412090798.db2.gz KVIXOPMNSVLOJL-MOENNCHZSA-N 1 0 244.329 2.235 10 0 BEAERO CC[C@H](C[NH2+]C)n1nc(C)c(Cl)c1C ZINC000052574066 171437733 /nfs/dbraw/zinc/43/77/33/171437733.db2.gz VJIVGRRGPKSSQP-SECBINFHSA-N 1 0 215.728 2.324 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000134215567 412128166 /nfs/dbraw/zinc/12/81/66/412128166.db2.gz PZHBEXWADQRZJX-WOPDTQHZSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000662378190 412131417 /nfs/dbraw/zinc/13/14/17/412131417.db2.gz DONOCRMJCRHHIY-QWHCGFSZSA-N 1 0 234.343 2.252 10 0 BEAERO CC[C@H]([NH3+])[C@@H](OCCOC)c1ccc(C)cc1 ZINC000042916449 171488042 /nfs/dbraw/zinc/48/80/42/171488042.db2.gz WBUDGOUEQCIGHH-KBPBESRZSA-N 1 0 237.343 2.436 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662517108 412202894 /nfs/dbraw/zinc/20/28/94/412202894.db2.gz QVIHGFBVBBNTCY-HZMBPMFUSA-N 1 0 244.338 2.208 10 0 BEAERO CC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)C(C)(C)C ZINC000309092172 171529521 /nfs/dbraw/zinc/52/95/21/171529521.db2.gz CMROAHRSDPMFQV-YFKTTZPYSA-N 1 0 211.349 2.293 10 0 BEAERO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC(C)C ZINC000042579160 171610451 /nfs/dbraw/zinc/61/04/51/171610451.db2.gz RXPJIECUMJNNDI-AVGNSLFASA-N 1 0 240.391 2.458 10 0 BEAERO CC[C@@H](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000662628435 412245720 /nfs/dbraw/zinc/24/57/20/412245720.db2.gz ZRAQXFUEZXPAAS-DGCLKSJQSA-N 1 0 226.364 2.071 10 0 BEAERO CC[C@H](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000662628436 412246022 /nfs/dbraw/zinc/24/60/22/412246022.db2.gz ZRAQXFUEZXPAAS-WCQYABFASA-N 1 0 226.364 2.071 10 0 BEAERO CC[C@H]1CN(Cc2cccc(OC)c2)[C@H](C)C[NH2+]1 ZINC000083379292 171661640 /nfs/dbraw/zinc/66/16/40/171661640.db2.gz VUDMBCOMRSWPKX-OCCSQVGLSA-N 1 0 248.370 2.268 10 0 BEAERO CC[C@](C)([NH3+])c1ccc(OC)cc1OC ZINC000055232626 171696645 /nfs/dbraw/zinc/69/66/45/171696645.db2.gz YZTYBSZHINDKOE-LBPRGKRZSA-N 1 0 209.289 2.288 10 0 BEAERO CC[C@](C)([NH3+])c1noc(-c2ccccc2)n1 ZINC000042290299 171696677 /nfs/dbraw/zinc/69/66/77/171696677.db2.gz MXVLUWCYPVLYDQ-LBPRGKRZSA-N 1 0 217.272 2.321 10 0 BEAERO CC[C@]1(C(=O)Nc2cccc(O)c2)CCC[NH2+]C1 ZINC000062858856 171711773 /nfs/dbraw/zinc/71/17/73/171711773.db2.gz UYXMGAGXZYKISL-AWEZNQCLSA-N 1 0 248.326 2.111 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282508339 171811425 /nfs/dbraw/zinc/81/14/25/171811425.db2.gz XGFYARUJUFSVNQ-FZMZJTMJSA-N 1 0 246.354 2.006 10 0 BEAERO CCc1ccc2c(c1)[C@@H]1C[NH2+]CC[C@H]1N2 ZINC000039242241 171848026 /nfs/dbraw/zinc/84/80/26/171848026.db2.gz LPJBTSDXUWITRR-WCQYABFASA-N 1 0 202.301 2.120 10 0 BEAERO CCc1cccc(C)c1N1CC[C@@H](C[NH3+])C1 ZINC000019427729 171853131 /nfs/dbraw/zinc/85/31/31/171853131.db2.gz LQZOHIXDRAJNRE-LBPRGKRZSA-N 1 0 218.344 2.342 10 0 BEAERO CCc1cccc(CC)c1CC1=[NH+]CCN1 ZINC000043154464 171855229 /nfs/dbraw/zinc/85/52/29/171855229.db2.gz WYQAIMKBOICTHH-UHFFFAOYSA-N 1 0 216.328 2.356 10 0 BEAERO CCc1cccc2c([C@@H]([NH3+])[C@H](C)O)c[nH]c21 ZINC000089204045 171868724 /nfs/dbraw/zinc/86/87/24/171868724.db2.gz HZNUOGINJUNPDU-UFBFGSQYSA-N 1 0 218.300 2.111 10 0 BEAERO CCc1ccccc1O[C@H](C)C[NH2+]CCOC ZINC000053587606 171891240 /nfs/dbraw/zinc/89/12/40/171891240.db2.gz VTJMIYVZLCDPKM-GFCCVEGCSA-N 1 0 237.343 2.252 10 0 BEAERO CCc1nc(C)c(CC)c(N[C@@H]2CCC[NH2+]C2)n1 ZINC000045955313 171953512 /nfs/dbraw/zinc/95/35/12/171953512.db2.gz DWGPBLUNCZHGOZ-LLVKDONJSA-N 1 0 248.374 2.074 10 0 BEAERO CCc1nc(CC[NH2+][C@H](C)[C@@H](C)CC)no1 ZINC000129289680 171970759 /nfs/dbraw/zinc/97/07/59/171970759.db2.gz DNWDEPHGZUFWIA-VHSXEESVSA-N 1 0 225.336 2.199 10 0 BEAERO CCc1nc([C@@H]2CCCO2)sc1C[NH3+] ZINC000082423964 172003773 /nfs/dbraw/zinc/00/37/73/172003773.db2.gz MROUGMQSJTVRMC-QMMMGPOBSA-N 1 0 212.318 2.016 10 0 BEAERO CCc1nc([C@H]([NH3+])C2CCOCC2)sc1C ZINC000052179413 172006725 /nfs/dbraw/zinc/00/67/25/172006725.db2.gz VTEATWNJLSSZTL-LLVKDONJSA-N 1 0 240.372 2.440 10 0 BEAERO CCc1nc2ccccc2n1[C@@H](C)C[NH3+] ZINC000057798916 172013401 /nfs/dbraw/zinc/01/34/01/172013401.db2.gz OLYFLQOOYMJBHA-VIFPVBQESA-N 1 0 203.289 2.118 10 0 BEAERO CCc1nc2ccccc2n1C[C@H]1CC[NH2+]C1 ZINC000062807711 172014009 /nfs/dbraw/zinc/01/40/09/172014009.db2.gz YFSZVNKUQGDBMN-NSHDSACASA-N 1 0 229.327 2.208 10 0 BEAERO CCc1nccn1[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042902901 172029059 /nfs/dbraw/zinc/02/90/59/172029059.db2.gz RJHZDVUOYQXAOI-FZMZJTMJSA-N 1 0 229.327 2.382 10 0 BEAERO CCc1nccn1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105922670 172029800 /nfs/dbraw/zinc/02/98/00/172029800.db2.gz XCXKIGRJLIFLPC-GFCCVEGCSA-N 1 0 221.348 2.491 10 0 BEAERO CCc1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000037605825 172083070 /nfs/dbraw/zinc/08/30/70/172083070.db2.gz FBTXIZLFKSKCNQ-NSHDSACASA-N 1 0 231.299 2.265 10 0 BEAERO CCn1c2ccccc2cc(C[NH2+]C2CC2)c1=O ZINC000039287562 172131942 /nfs/dbraw/zinc/13/19/42/172131942.db2.gz YTQPQGSGFQWAFK-UHFFFAOYSA-N 1 0 242.322 2.273 10 0 BEAERO CCn1c(CC[NH2+]C2CC2)nc2ccc(F)cc21 ZINC000052124647 172144564 /nfs/dbraw/zinc/14/45/64/172144564.db2.gz VELUVNZGUAJFJP-UHFFFAOYSA-N 1 0 247.317 2.490 10 0 BEAERO CCn1c(C[NH2+]C2CC2)nc2ccc(F)cc21 ZINC000052124664 172145445 /nfs/dbraw/zinc/14/54/45/172145445.db2.gz HFQGZTBKPUKZNG-UHFFFAOYSA-N 1 0 233.290 2.447 10 0 BEAERO CCn1cc(C[C@@H]2CCCC[C@H]2[NH2+]C)cn1 ZINC000050540750 172176692 /nfs/dbraw/zinc/17/66/92/172176692.db2.gz BEFRZMWITCQICP-QWHCGFSZSA-N 1 0 221.348 2.224 10 0 BEAERO CCn1cc(C[C@@H]([NH3+])c2ccccc2)cn1 ZINC000050542480 172177204 /nfs/dbraw/zinc/17/72/04/172177204.db2.gz CXCRFYLFGWZRPW-CYBMUJFWSA-N 1 0 215.300 2.146 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2ccccc2F)cn1 ZINC000062774610 172195211 /nfs/dbraw/zinc/19/52/11/172195211.db2.gz DKHGEFCOOCCLDD-GFCCVEGCSA-N 1 0 219.263 2.090 10 0 BEAERO CCn1cccc1C[NH2+]CCc1cccnc1 ZINC000091025410 172207162 /nfs/dbraw/zinc/20/71/62/172207162.db2.gz IWRAHYPJGVZPBI-UHFFFAOYSA-N 1 0 229.327 2.235 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H](O)CC(C)(C)C ZINC000226071131 172208251 /nfs/dbraw/zinc/20/82/51/172208251.db2.gz JALAKUKYIJSRIK-ZDUSSCGKSA-N 1 0 238.375 2.395 10 0 BEAERO CCn1cccc1C[NH2+][C@H](C)C1CCOCC1 ZINC000234193417 172209258 /nfs/dbraw/zinc/20/92/58/172209258.db2.gz IIFZAMQVGGDKEK-GFCCVEGCSA-N 1 0 236.359 2.413 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000234192827 172209691 /nfs/dbraw/zinc/20/96/91/172209691.db2.gz OANXCXCYHHZDRG-NWDGAFQWSA-N 1 0 222.332 2.165 10 0 BEAERO CCn1cccc1C[NH2+][C@](C)(CC)CCO ZINC000228647321 172210001 /nfs/dbraw/zinc/21/00/01/172210001.db2.gz LNEKMVRARYQYSI-CYBMUJFWSA-N 1 0 224.348 2.149 10 0 BEAERO CCn1cnnc1C1CC[NH+](C2CCCC2)CC1 ZINC000120165344 172233882 /nfs/dbraw/zinc/23/38/82/172233882.db2.gz SCJULZZJWBWMHG-UHFFFAOYSA-N 1 0 248.374 2.420 10 0 BEAERO CCn1nc(C)c([C@H](C)[NH2+]C2CC2)c1C ZINC000045166813 172248328 /nfs/dbraw/zinc/24/83/28/172248328.db2.gz QGISATWMHUTRPE-QMMMGPOBSA-N 1 0 207.321 2.333 10 0 BEAERO CCn1ncc2c1CCC[C@@H]2[NH2+]CC1CC1 ZINC000363815660 172255756 /nfs/dbraw/zinc/25/57/56/172255756.db2.gz ISSBLDLUXVWUFE-LBPRGKRZSA-N 1 0 219.332 2.280 10 0 BEAERO CCn1nccc1CC[NH2+]C1(C(C)C)CC1 ZINC000339515038 172261140 /nfs/dbraw/zinc/26/11/40/172261140.db2.gz CRNLWMGPHRHFJK-UHFFFAOYSA-N 1 0 221.348 2.224 10 0 BEAERO CN(C(=O)C(C)(C)C)c1cccc(C[NH3+])c1 ZINC000061950278 172295134 /nfs/dbraw/zinc/29/51/34/172295134.db2.gz QGGPOPLXGYZHET-UHFFFAOYSA-N 1 0 220.316 2.154 10 0 BEAERO C[NH+](C)CCSc1nc2cc(N)ccc2o1 ZINC000042143047 172474527 /nfs/dbraw/zinc/47/45/27/172474527.db2.gz VDNQXRLZFQMZHB-UHFFFAOYSA-N 1 0 237.328 2.064 10 0 BEAERO C[N@H+](C1CCCCCC1)[C@]1(CN)CCSC1 ZINC000036328336 172598571 /nfs/dbraw/zinc/59/85/71/172598571.db2.gz AWBMRLMKSBBKQL-ZDUSSCGKSA-N 1 0 242.432 2.475 10 0 BEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)C(C)(C)C ZINC000019843739 172777317 /nfs/dbraw/zinc/77/73/17/172777317.db2.gz HVXQOXUABUPDSS-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CN(CCc1ccccc1)[C@@H](C[NH3+])c1ccco1 ZINC000020225282 172781699 /nfs/dbraw/zinc/78/16/99/172781699.db2.gz XSMJKIQCTDQCFU-AWEZNQCLSA-N 1 0 244.338 2.454 10 0 BEAERO CN(C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000019485297 172827146 /nfs/dbraw/zinc/82/71/46/172827146.db2.gz IWLZJGQBGKKYCM-GFCCVEGCSA-N 1 0 204.317 2.265 10 0 BEAERO CN(Cc1cccc(C[NH3+])c1)C(=O)c1ccoc1 ZINC000037034764 172861697 /nfs/dbraw/zinc/86/16/97/172861697.db2.gz XQLXQKKZLDUJEP-UHFFFAOYSA-N 1 0 244.294 2.011 10 0 BEAERO CN(Cc1cscn1)[C@@H](C[NH3+])c1ccccc1 ZINC000042863463 172923419 /nfs/dbraw/zinc/92/34/19/172923419.db2.gz YSZWQQHZTYEIJQ-ZDUSSCGKSA-N 1 0 247.367 2.275 10 0 BEAERO CN(c1nc2ccccc2s1)C1CC[NH2+]CC1 ZINC000034320602 172953342 /nfs/dbraw/zinc/95/33/42/172953342.db2.gz JJWSOMYWAXKFRO-UHFFFAOYSA-N 1 0 247.367 2.485 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1CNc1cccc(O)c1 ZINC000054240411 173006086 /nfs/dbraw/zinc/00/60/86/173006086.db2.gz XLHHANCWYXLHKT-GFCCVEGCSA-N 1 0 220.316 2.288 10 0 BEAERO C[N@@H+]1CCCC[C@H]1CNc1cccc(N)c1 ZINC000044563746 173010473 /nfs/dbraw/zinc/01/04/73/173010473.db2.gz YNUPMPKQTZNCDU-ZDUSSCGKSA-N 1 0 219.332 2.165 10 0 BEAERO CN1CCCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000044561556 173010600 /nfs/dbraw/zinc/01/06/00/173010600.db2.gz KDVZKJQWSYPQOZ-KBPBESRZSA-N 1 0 222.376 2.417 10 0 BEAERO C[N@@H+]1CCCN(c2c(N)cccc2Cl)CC1 ZINC000020217465 173016737 /nfs/dbraw/zinc/01/67/37/173016737.db2.gz PGWLNJLUTMIJIY-UHFFFAOYSA-N 1 0 239.750 2.064 10 0 BEAERO C[N@@H+]1CCC[C@@H](n2ccc3cccnc32)C1 ZINC000090505001 173022364 /nfs/dbraw/zinc/02/23/64/173022364.db2.gz MFSOUDARVZQLKG-GFCCVEGCSA-N 1 0 215.300 2.303 10 0 BEAERO C[N@@H+]1CCC[C@@](C)(c2cccc(O)c2)C1 ZINC000027564289 173035449 /nfs/dbraw/zinc/03/54/49/173035449.db2.gz IBRMGIQKMQEATN-CYBMUJFWSA-N 1 0 205.301 2.376 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2ccc(O)cc2)C1 ZINC000054242467 173041262 /nfs/dbraw/zinc/04/12/62/173041262.db2.gz MEJAEJKXFRZSCM-LLVKDONJSA-N 1 0 220.316 2.146 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2ccccc2N)C1 ZINC000044535759 173041302 /nfs/dbraw/zinc/04/13/02/173041302.db2.gz GOESXKHUASJDKC-LLVKDONJSA-N 1 0 219.332 2.023 10 0 BEAERO C[N@@H+]1CCC[C@H](COc2ccc(F)cc2N)C1 ZINC000020352136 173041958 /nfs/dbraw/zinc/04/19/58/173041958.db2.gz RAIIJUTZJDGQSB-JTQLQIEISA-N 1 0 238.306 2.129 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccccc2N2CCCC2)C1 ZINC000061985225 173125504 /nfs/dbraw/zinc/12/55/04/173125504.db2.gz OYPSDTJNEACHAE-CYBMUJFWSA-N 1 0 245.370 2.403 10 0 BEAERO C[N@@H+]1CC[C@H](CNc2ncccc2Cl)C1 ZINC000037485175 173146406 /nfs/dbraw/zinc/14/64/06/173146406.db2.gz MINXIEMFVXWFRT-SECBINFHSA-N 1 0 225.723 2.099 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2cc(F)cc(F)c2F)C1 ZINC000061989924 173154752 /nfs/dbraw/zinc/15/47/52/173154752.db2.gz YDGJPGXFEHJXDH-QMMMGPOBSA-N 1 0 230.233 2.220 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccc(F)c(F)c2F)C1 ZINC000061984561 173155131 /nfs/dbraw/zinc/15/51/31/173155131.db2.gz DSRZUSYVIFAOIH-ZETCQYMHSA-N 1 0 230.233 2.220 10 0 BEAERO Cn1nc(-c2ccccc2)c2c1CC[N@H+](C)C2 ZINC000105960733 173167644 /nfs/dbraw/zinc/16/76/44/173167644.db2.gz SLXBEFLZZPLAQQ-UHFFFAOYSA-N 1 0 227.311 2.075 10 0 BEAERO CN1CCc2nc(C[NH2+]C(C)(C)C)sc2C1 ZINC000053295626 173174548 /nfs/dbraw/zinc/17/45/48/173174548.db2.gz JTOBZQDOTMZTKP-UHFFFAOYSA-N 1 0 239.388 2.019 10 0 BEAERO CN1C[C@H](CC[NH3+])c2cccc(Cl)c21 ZINC000071484030 173192444 /nfs/dbraw/zinc/19/24/44/173192444.db2.gz JKPYROCTRPGVLS-QMMMGPOBSA-N 1 0 210.708 2.222 10 0 BEAERO CNC(=O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000044987561 173260539 /nfs/dbraw/zinc/26/05/39/173260539.db2.gz YAJSHTWTERKQBD-RWMBFGLXSA-N 1 0 240.391 2.173 10 0 BEAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037224818 173277752 /nfs/dbraw/zinc/27/77/52/173277752.db2.gz LMTBJDYVBCHLLQ-NSHDSACASA-N 1 0 248.370 2.381 10 0 BEAERO CNC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156726475 173278056 /nfs/dbraw/zinc/27/80/56/173278056.db2.gz QSLWXYIXCCAODI-CQSZACIVSA-N 1 0 246.354 2.036 10 0 BEAERO CNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000042228747 173303779 /nfs/dbraw/zinc/30/37/79/173303779.db2.gz MGMLDYORYMEKOC-FZMZJTMJSA-N 1 0 246.354 2.170 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(SC)cc1 ZINC000061300099 173318475 /nfs/dbraw/zinc/31/84/75/173318475.db2.gz SEVGIKTYSIMEQG-UHFFFAOYSA-N 1 0 238.356 2.345 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc2ncccc2c1 ZINC000061319340 173318622 /nfs/dbraw/zinc/31/86/22/173318622.db2.gz ZGMMNKBQKYNFEH-UHFFFAOYSA-N 1 0 243.310 2.171 10 0 BEAERO C[NH2+]C(C)(C)CN(C)C1CCC(C)CC1 ZINC000061319691 173319668 /nfs/dbraw/zinc/31/96/68/173319668.db2.gz LMNVLEJWVMTAKF-UHFFFAOYSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C(C)(C)c1nnc(C2CCCCC2)[nH]1 ZINC000061152006 173320996 /nfs/dbraw/zinc/32/09/96/173320996.db2.gz UQWVSKHQDLALSX-UHFFFAOYSA-N 1 0 222.336 2.307 10 0 BEAERO C[NH2+]C1CCN(C(=O)C2CCCCCC2)CC1 ZINC000053712893 173322153 /nfs/dbraw/zinc/32/21/53/173322153.db2.gz IPBVKBSFJQVPID-UHFFFAOYSA-N 1 0 238.375 2.167 10 0 BEAERO C[NH2+]C1(c2nccs2)CCSCC1 ZINC000041060446 173322188 /nfs/dbraw/zinc/32/21/88/173322188.db2.gz BHGXZSWVJABQLP-UHFFFAOYSA-N 1 0 214.359 2.085 10 0 BEAERO C[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000038074612 173324149 /nfs/dbraw/zinc/32/41/49/173324149.db2.gz IEVCAWQPXRWUPX-UHFFFAOYSA-N 1 0 231.299 2.016 10 0 BEAERO C[NH2+]C1CCN([C@H](C)Cc2ccsc2)CC1 ZINC000049183899 173324259 /nfs/dbraw/zinc/32/42/59/173324259.db2.gz LUKVEWFWEABINI-LLVKDONJSA-N 1 0 238.400 2.363 10 0 BEAERO C[NH2+]CC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000019518542 173332447 /nfs/dbraw/zinc/33/24/47/173332447.db2.gz WQYHDOGFNQAWHT-UHFFFAOYSA-N 1 0 247.125 2.460 10 0 BEAERO C[NH2+]CC(C)(C)c1ccc(OC)c(OC)c1 ZINC000041242719 173337913 /nfs/dbraw/zinc/33/79/13/173337913.db2.gz KAWIUBRYOOIEHX-UHFFFAOYSA-N 1 0 223.316 2.201 10 0 BEAERO C[NH2+]CCCC(=O)N[C@H](C)c1ccccc1F ZINC000037764242 173344521 /nfs/dbraw/zinc/34/45/21/173344521.db2.gz QLVDVDWZGJPZQA-SNVBAGLBSA-N 1 0 238.306 2.003 10 0 BEAERO C[NH2+]CCCCc1ccc(OC)c(F)c1 ZINC000036158777 173346528 /nfs/dbraw/zinc/34/65/28/173346528.db2.gz KGLROJYHQCXOAS-UHFFFAOYSA-N 1 0 211.280 2.376 10 0 BEAERO C[NH2+]CCCOCc1ccc(Cl)cc1 ZINC000077306151 173349583 /nfs/dbraw/zinc/34/95/83/173349583.db2.gz IKLCVOSRTPOSIJ-UHFFFAOYSA-N 1 0 213.708 2.466 10 0 BEAERO C[NH2+]CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000036925176 173350267 /nfs/dbraw/zinc/35/02/67/173350267.db2.gz MTMRQPTXQWBIPY-UHFFFAOYSA-N 1 0 223.707 2.368 10 0 BEAERO C[NH2+]CCCc1nc2cc(C)c(C)cc2[nH]1 ZINC000051847874 173350803 /nfs/dbraw/zinc/35/08/03/173350803.db2.gz YAJCLROWDLHJHM-UHFFFAOYSA-N 1 0 217.316 2.332 10 0 BEAERO C[NH2+]CCCn1ccc2ccc(F)cc21 ZINC000053528150 173351430 /nfs/dbraw/zinc/35/14/30/173351430.db2.gz JKKDCRZFTCYNCZ-UHFFFAOYSA-N 1 0 206.264 2.390 10 0 BEAERO C[NH2+]CCN(C)CCc1ccc(Cl)cc1 ZINC000059086513 173353001 /nfs/dbraw/zinc/35/30/01/173353001.db2.gz IXYVBECQYHQLLC-UHFFFAOYSA-N 1 0 226.751 2.034 10 0 BEAERO C[NH2+]CCOCCc1c(C)n(C)c2ccccc21 ZINC000077403780 173357040 /nfs/dbraw/zinc/35/70/40/173357040.db2.gz GOVSQROFAISNLD-UHFFFAOYSA-N 1 0 246.354 2.265 10 0 BEAERO C[NH2+]CCOCCc1cc(C)ccc1C ZINC000077300801 173357046 /nfs/dbraw/zinc/35/70/46/173357046.db2.gz NDGOCPBWSAXQPS-UHFFFAOYSA-N 1 0 207.317 2.082 10 0 BEAERO C[NH2+]CC[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000011630070 173357669 /nfs/dbraw/zinc/35/76/69/173357669.db2.gz NKHFYTGTISURJL-SNVBAGLBSA-N 1 0 223.316 2.417 10 0 BEAERO C[NH2+]CC[C@@H](O)c1cc(C(C)C)ccc1OC ZINC000049828981 173358333 /nfs/dbraw/zinc/35/83/33/173358333.db2.gz PNFIOILMMWPECJ-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO C[NH2+]CCc1ccc(OC)c(OC)c1Cl ZINC000082296434 173359911 /nfs/dbraw/zinc/35/99/11/173359911.db2.gz FCFKUKUNGWNCGU-UHFFFAOYSA-N 1 0 229.707 2.119 10 0 BEAERO C[NH2+]CCc1nc(-c2ccco2)cs1 ZINC000041623418 173361097 /nfs/dbraw/zinc/36/10/97/173361097.db2.gz FJOVKNORSZWXDL-UHFFFAOYSA-N 1 0 208.286 2.165 10 0 BEAERO C[NH2+]CCc1nnc(C2CCCCCC2)o1 ZINC000053716404 173362047 /nfs/dbraw/zinc/36/20/47/173362047.db2.gz MBDWYWGYRJDGPA-UHFFFAOYSA-N 1 0 223.320 2.269 10 0 BEAERO C[NH2+]C[C@@H](C)n1cnc2cc(C)c(C)cc21 ZINC000052575703 173364865 /nfs/dbraw/zinc/36/48/65/173364865.db2.gz AEKJJAMEIPLKMC-LLVKDONJSA-N 1 0 217.316 2.434 10 0 BEAERO C[NH2+]C[C@@H](O)Cc1cc(Cl)ccc1Cl ZINC000071543394 173365815 /nfs/dbraw/zinc/36/58/15/173365815.db2.gz MUKOPUCHIKQPDJ-VIFPVBQESA-N 1 0 234.126 2.116 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cccc3cccnc32)C1 ZINC000053010952 173370666 /nfs/dbraw/zinc/37/06/66/173370666.db2.gz HOTCHHLZULFFTC-LBPRGKRZSA-N 1 0 241.338 2.281 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000011892387 173370927 /nfs/dbraw/zinc/37/09/27/173370927.db2.gz FQEXWOVCMAJIOV-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1ccc(OC)c(F)c1 ZINC000054589342 173372507 /nfs/dbraw/zinc/37/25/07/173372507.db2.gz XCBDHSMGNXCHSK-GXFFZTMASA-N 1 0 223.291 2.331 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1ccc2c(c1)OCCCO2 ZINC000054589510 173372703 /nfs/dbraw/zinc/37/27/03/173372703.db2.gz OFHVHMDYUPIIFD-SWLSCSKDSA-N 1 0 247.338 2.345 10 0 BEAERO C[NH2+]C[C@@]1(OC2CCOCC2)CCC[C@H](C)C1 ZINC000050503979 173373017 /nfs/dbraw/zinc/37/30/17/173373017.db2.gz PSYAHNRMTXETPO-GXTWGEPZSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]C[C@H](OCC1CC1)c1ccc(OC)cc1 ZINC000050485064 173377725 /nfs/dbraw/zinc/37/77/25/173377725.db2.gz KIJPQHKUWPXTBW-AWEZNQCLSA-N 1 0 235.327 2.382 10 0 BEAERO C[NH2+]C[C@H](O[C@@H]1CCOC1)c1ccccc1C ZINC000104112491 173377906 /nfs/dbraw/zinc/37/79/06/173377906.db2.gz VCDPLYQKTOSFPL-OCCSQVGLSA-N 1 0 235.327 2.061 10 0 BEAERO C[NH2+]C[C@H](Sc1nccn1C)c1ccccc1 ZINC000053612855 173377975 /nfs/dbraw/zinc/37/79/75/173377975.db2.gz XVOCJGCTASCWNG-LBPRGKRZSA-N 1 0 247.367 2.473 10 0 BEAERO C[NH2+]C[C@H](OC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000050493952 173378006 /nfs/dbraw/zinc/37/80/06/173378006.db2.gz IYQCHEWSDOXYDE-GJZGRUSLSA-N 1 0 249.354 2.451 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cc(F)ccc2C)C1 ZINC000053012827 173381348 /nfs/dbraw/zinc/38/13/48/173381348.db2.gz UOTPIYKENLVIGI-LLVKDONJSA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc3ncccc3c2)C1 ZINC000054108280 173381786 /nfs/dbraw/zinc/38/17/86/173381786.db2.gz ACOOKLYIHNCZLP-GFCCVEGCSA-N 1 0 241.338 2.281 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(C)c(F)c2)C1 ZINC000053012475 173381982 /nfs/dbraw/zinc/38/19/82/173381982.db2.gz CNHBSBANMXXAJX-LLVKDONJSA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1cccc(OC)c1 ZINC000054589853 173382879 /nfs/dbraw/zinc/38/28/79/173382879.db2.gz YXAYDAFNPBMMMF-YPMHNXCESA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccc(OC)cc1 ZINC000054589653 173383051 /nfs/dbraw/zinc/38/30/51/173383051.db2.gz UCPZVZXSVHBXQL-DGCLKSJQSA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@](O)(c1ccc(Cl)cc1)C1CC1 ZINC000049820304 173383154 /nfs/dbraw/zinc/38/31/54/173383154.db2.gz FUSPWPIDIRIAHO-GFCCVEGCSA-N 1 0 225.719 2.157 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccccc1OC ZINC000054590107 173383227 /nfs/dbraw/zinc/38/32/27/173383227.db2.gz DIUJWQHMGRSKEO-MFKMUULPSA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccc2c(c1)OCCCO2 ZINC000054589507 173383616 /nfs/dbraw/zinc/38/36/16/173383616.db2.gz OFHVHMDYUPIIFD-IUODEOHRSA-N 1 0 247.338 2.345 10 0 BEAERO C[NH2+]Cc1c(N2CCC[C@H]2C)nc2ccccn21 ZINC000037911840 173384643 /nfs/dbraw/zinc/38/46/43/173384643.db2.gz LTHPWHHNZVJMOD-LLVKDONJSA-N 1 0 244.342 2.042 10 0 BEAERO C[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1C ZINC000036868475 173385211 /nfs/dbraw/zinc/38/52/11/173385211.db2.gz DKQCUOPTYJEREJ-UHFFFAOYSA-N 1 0 247.317 2.407 10 0 BEAERO C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000083362916 173385262 /nfs/dbraw/zinc/38/52/62/173385262.db2.gz WWESSUXSBSNBRW-UHFFFAOYSA-N 1 0 236.059 2.447 10 0 BEAERO C[NH2+]Cc1c(C)nn(C)c1Oc1cccc(F)c1 ZINC000034664736 173385274 /nfs/dbraw/zinc/38/52/74/173385274.db2.gz QIZBXFOYILHMAV-UHFFFAOYSA-N 1 0 249.289 2.379 10 0 BEAERO C[NH2+]Cc1cc(-n2cccn2)c2ccccc2n1 ZINC000103925029 173386396 /nfs/dbraw/zinc/38/63/96/173386396.db2.gz MNHQBEFWFXAXOX-UHFFFAOYSA-N 1 0 238.294 2.140 10 0 BEAERO C[NH2+]Cc1cc(CN(C)c2ccc(F)cc2)on1 ZINC000052540492 173386917 /nfs/dbraw/zinc/38/69/17/173386917.db2.gz JVSLKJBMZJDLGF-UHFFFAOYSA-N 1 0 249.289 2.170 10 0 BEAERO C[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000051436784 173387018 /nfs/dbraw/zinc/38/70/18/173387018.db2.gz WCQFTDNOSDVWAE-UHFFFAOYSA-N 1 0 215.300 2.020 10 0 BEAERO C[NH2+]Cc1cc(N(C)Cc2ccoc2)ccn1 ZINC000051492073 173387267 /nfs/dbraw/zinc/38/72/67/173387267.db2.gz PSLSMQNISFWVGZ-UHFFFAOYSA-N 1 0 231.299 2.030 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1-n1ccnc1C ZINC000037236871 173387445 /nfs/dbraw/zinc/38/74/45/173387445.db2.gz KYNWOPRTZQZPGT-UHFFFAOYSA-N 1 0 219.263 2.039 10 0 BEAERO C[NH2+]Cc1cc2c(cc1OCC=C(C)C)OCO2 ZINC000042874206 173387537 /nfs/dbraw/zinc/38/75/37/173387537.db2.gz YTACOXJSMRETEV-UHFFFAOYSA-N 1 0 249.310 2.480 10 0 BEAERO C[NH2+]Cc1ccccc1N(CCCO)C(C)C ZINC000042511463 173390071 /nfs/dbraw/zinc/39/00/71/173390071.db2.gz WGRZNZYLSZWNTR-UHFFFAOYSA-N 1 0 236.359 2.003 10 0 BEAERO C[NH2+]Cc1ccccc1N(C)Cc1cscn1 ZINC000042867234 173390289 /nfs/dbraw/zinc/39/02/89/173390289.db2.gz VZDWAQPTCDWWLF-UHFFFAOYSA-N 1 0 247.367 2.499 10 0 BEAERO C[NH2+]Cc1ccccc1N1CCCSCC1 ZINC000042444354 173390377 /nfs/dbraw/zinc/39/03/77/173390377.db2.gz NDOMPWUJRFQJTM-UHFFFAOYSA-N 1 0 236.384 2.349 10 0 BEAERO C[NH2+]Cc1ccnc([C@H]2CCC[C@H](C)C2)n1 ZINC000054791158 173390934 /nfs/dbraw/zinc/39/09/34/173390934.db2.gz ACFJDPRJKJCXQH-QWRGUYRKSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1cccnc1N1CCCCCC1 ZINC000051400020 173391500 /nfs/dbraw/zinc/39/15/00/173391500.db2.gz ISCQXQWRJWBGES-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO C[NH2+]Cc1ccnc(N(C)Cc2cccs2)c1 ZINC000051443356 173391689 /nfs/dbraw/zinc/39/16/89/173391689.db2.gz JAIKSVCIBPXUKQ-UHFFFAOYSA-N 1 0 247.367 2.499 10 0 BEAERO C[NH2+]Cc1cnc(N2CCCC[C@H]2C)s1 ZINC000054900193 173392540 /nfs/dbraw/zinc/39/25/40/173392540.db2.gz BCUPZJBFWDUGNQ-SECBINFHSA-N 1 0 225.361 2.241 10 0 BEAERO C[NH2+]Cc1cnc(N2C[C@H](C)C[C@H](C)C2)s1 ZINC000054899686 173392607 /nfs/dbraw/zinc/39/26/07/173392607.db2.gz FTSKHYNBSXNPNE-AOOOYVTPSA-N 1 0 239.388 2.345 10 0 BEAERO C[NH2+]Cc1cnc(Cc2csc(C)n2)s1 ZINC000055296433 173392609 /nfs/dbraw/zinc/39/26/09/173392609.db2.gz GLFFOOMULARPPW-UHFFFAOYSA-N 1 0 239.369 2.218 10 0 BEAERO C[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000040999573 173393717 /nfs/dbraw/zinc/39/37/17/173393717.db2.gz JWHPMWDTNIBHIG-UHFFFAOYSA-N 1 0 218.325 2.453 10 0 BEAERO C[NH2+]Cc1nc(C(C)C)ncc1OC1CCC1 ZINC000051521904 173394484 /nfs/dbraw/zinc/39/44/84/173394484.db2.gz DXTXBEZJNMADLI-UHFFFAOYSA-N 1 0 235.331 2.251 10 0 BEAERO C[NH2+]Cc1nccn1Cc1ccc(Cl)cc1 ZINC000051004594 173397496 /nfs/dbraw/zinc/39/74/96/173397496.db2.gz IGWMXMKFEWEHTI-UHFFFAOYSA-N 1 0 235.718 2.304 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000036877228 173397543 /nfs/dbraw/zinc/39/75/43/173397543.db2.gz CYFBJDIPXALEEB-UHFFFAOYSA-N 1 0 221.691 2.450 10 0 BEAERO C[NH2+]Cc1nnc(-c2ccccc2Cl)o1 ZINC000048655172 173397960 /nfs/dbraw/zinc/39/79/60/173397960.db2.gz RTFWHCJWUCXDNI-UHFFFAOYSA-N 1 0 223.663 2.109 10 0 BEAERO C[NH2+]Cc1nnc(-c2c(F)cccc2Cl)o1 ZINC000050615321 173398012 /nfs/dbraw/zinc/39/80/12/173398012.db2.gz PFNBDPPWRBWPCH-UHFFFAOYSA-N 1 0 241.653 2.249 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)N(C)C)cc1 ZINC000041712225 173418956 /nfs/dbraw/zinc/41/89/56/173418956.db2.gz FZLBCOVAZSXKOD-VIFPVBQESA-N 1 0 221.304 2.061 10 0 BEAERO C[NH2+][C@@H](CC(C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000035500716 173421464 /nfs/dbraw/zinc/42/14/64/173421464.db2.gz SWKYOSCCEMDVOY-NSHDSACASA-N 1 0 234.299 2.428 10 0 BEAERO C[NH2+][C@@H](CCO)c1ccc(OC)c(C(C)C)c1 ZINC000071548107 173423062 /nfs/dbraw/zinc/42/30/62/173423062.db2.gz PBCATXLDAGYWHR-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccc(C)cc2C)C1 ZINC000037241770 173437451 /nfs/dbraw/zinc/43/74/51/173437451.db2.gz LHPFAWSICHXGLU-GFCCVEGCSA-N 1 0 204.317 2.102 10 0 BEAERO C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1OC ZINC000044043798 173439754 /nfs/dbraw/zinc/43/97/54/173439754.db2.gz CKWYZWBLORAQAZ-QWHCGFSZSA-N 1 0 205.301 2.298 10 0 BEAERO C[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000034665240 173448499 /nfs/dbraw/zinc/44/84/99/173448499.db2.gz POIIBMDBPXYXJE-SECBINFHSA-N 1 0 219.263 2.292 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000035117205 173457495 /nfs/dbraw/zinc/45/74/95/173457495.db2.gz FODUGFBZVURCBM-ZDUSSCGKSA-N 1 0 221.300 2.374 10 0 BEAERO C[NH2+][C@H]1CCN([C@H](C)c2sc(C)nc2C)C1 ZINC000049533879 173466535 /nfs/dbraw/zinc/46/65/35/173466535.db2.gz OTPUKPRRRBMPMX-KOLCDFICSA-N 1 0 239.388 2.115 10 0 BEAERO CNc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000050423060 173478301 /nfs/dbraw/zinc/47/83/01/173478301.db2.gz KMKNNLVNRIYJBJ-UHFFFAOYSA-N 1 0 204.195 2.206 10 0 BEAERO COC(=O)c1ccc([C@@H]2CCC[N@H+](C)C2)cc1 ZINC000075906420 173888006 /nfs/dbraw/zinc/88/80/06/173888006.db2.gz JXWNHTQWPGVAIV-CYBMUJFWSA-N 1 0 233.311 2.282 10 0 BEAERO COC1(c2ccccc2C)CC[NH2+]CC1 ZINC000039105402 174010314 /nfs/dbraw/zinc/01/03/14/174010314.db2.gz BDOXTTAHROFTQF-UHFFFAOYSA-N 1 0 205.301 2.220 10 0 BEAERO COC1CC[NH+]([C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000037266056 174029665 /nfs/dbraw/zinc/02/96/65/174029665.db2.gz PTXWVEAOBUQVTJ-IUODEOHRSA-N 1 0 248.370 2.186 10 0 BEAERO COC1CC[NH+]([C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000037266054 174029769 /nfs/dbraw/zinc/02/97/69/174029769.db2.gz PTXWVEAOBUQVTJ-DOMZBBRYSA-N 1 0 248.370 2.186 10 0 BEAERO COC1CC[NH+](Cc2ccc(C)c(N)c2)CC1 ZINC000037266506 174030486 /nfs/dbraw/zinc/03/04/86/174030486.db2.gz HCKRNLXTBPVWCU-UHFFFAOYSA-N 1 0 234.343 2.188 10 0 BEAERO COC1CC[NH+]([C@@]2(CN)CCC[C@H](C)C2)CC1 ZINC000037265984 174030836 /nfs/dbraw/zinc/03/08/36/174030836.db2.gz BKRRVUJICLAIMI-JSGCOSHPSA-N 1 0 240.391 2.005 10 0 BEAERO COC1CC[NH+]([C@](C)(CN)CCC(C)C)CC1 ZINC000037265958 174031691 /nfs/dbraw/zinc/03/16/91/174031691.db2.gz VVRRIBCYPHGTJD-AWEZNQCLSA-N 1 0 242.407 2.251 10 0 BEAERO COCCCN(CCC[NH3+])c1ccccc1F ZINC000037753566 174221532 /nfs/dbraw/zinc/22/15/32/174221532.db2.gz QHFRIKIJRNYQDZ-UHFFFAOYSA-N 1 0 240.322 2.017 10 0 BEAERO COCCC[N@H+](Cc1ccccc1N)C1CC1 ZINC000037753933 174226729 /nfs/dbraw/zinc/22/67/29/174226729.db2.gz UCYABOKGBJXVKP-UHFFFAOYSA-N 1 0 234.343 2.270 10 0 BEAERO COCCC[NH2+]C[C@H](C)n1ncc2ccccc21 ZINC000053536741 174246795 /nfs/dbraw/zinc/24/67/95/174246795.db2.gz WVKUPQBAALWUIF-LBPRGKRZSA-N 1 0 247.342 2.223 10 0 BEAERO COCCC[NH2+][C@@H](C)c1ccc(N)c(F)c1 ZINC000020550863 174248938 /nfs/dbraw/zinc/24/89/38/174248938.db2.gz JKNGMULJPLCLDX-VIFPVBQESA-N 1 0 226.295 2.095 10 0 BEAERO COCCC[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000020142577 174249506 /nfs/dbraw/zinc/24/95/06/174249506.db2.gz MJIGXSNYWTUTQN-JTQLQIEISA-N 1 0 239.315 2.088 10 0 BEAERO COCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336670951 174250926 /nfs/dbraw/zinc/25/09/26/174250926.db2.gz YPBIYACSDFHXBB-QWRGUYRKSA-N 1 0 203.301 2.141 10 0 BEAERO COCCCO[C@@H](C)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000037747095 174255987 /nfs/dbraw/zinc/25/59/87/174255987.db2.gz WMRLSMTXSCDDCV-GXTWGEPZSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000037747113 174256208 /nfs/dbraw/zinc/25/62/08/174256208.db2.gz HEMSXNJOFRNSBH-CABCVRRESA-N 1 0 249.354 2.444 10 0 BEAERO COCCCO[C@@H](C)[C@H]([NH3+])c1ccc(C)cc1 ZINC000037747096 174256543 /nfs/dbraw/zinc/25/65/43/174256543.db2.gz WMRLSMTXSCDDCV-JSGCOSHPSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000037747116 174256949 /nfs/dbraw/zinc/25/69/49/174256949.db2.gz HEMSXNJOFRNSBH-LSDHHAIUSA-N 1 0 249.354 2.444 10 0 BEAERO COCC[N@H+](CCCCC(C)=O)[C@@H](C)C1CC1 ZINC000042680671 174290595 /nfs/dbraw/zinc/29/05/95/174290595.db2.gz SRFBAMKTNCNAIP-ZDUSSCGKSA-N 1 0 241.375 2.493 10 0 BEAERO COCC[NH2+]CCCOc1ccc2c(c1)CCC2 ZINC000053585905 174332325 /nfs/dbraw/zinc/33/23/25/174332325.db2.gz WBRFITKFFKFFOV-UHFFFAOYSA-N 1 0 249.354 2.180 10 0 BEAERO COCC[NH2+]C[C@H]1C[C@]1(C)c1ccccc1F ZINC000054599103 174334349 /nfs/dbraw/zinc/33/43/49/174334349.db2.gz WBNOGOJOLDUZSU-RISCZKNCSA-N 1 0 237.318 2.339 10 0 BEAERO COCC[NH2+]Cc1cc(Cl)ccc1C ZINC000083347664 174335017 /nfs/dbraw/zinc/33/50/17/174335017.db2.gz WJYNSAAWLNBJJV-UHFFFAOYSA-N 1 0 213.708 2.384 10 0 BEAERO COCCOCc1cccc(C[NH2+]C2CC2)c1 ZINC000052628175 174364028 /nfs/dbraw/zinc/36/40/28/174364028.db2.gz DBCPEEWWGJWGDP-UHFFFAOYSA-N 1 0 235.327 2.102 10 0 BEAERO COCCO[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000050495667 174365603 /nfs/dbraw/zinc/36/56/03/174365603.db2.gz UXFUUEQNVONPRY-AWEZNQCLSA-N 1 0 235.327 2.143 10 0 BEAERO COCCOc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000071569953 174368720 /nfs/dbraw/zinc/36/87/20/174368720.db2.gz QSQWAEBTAFYQDN-UHFFFAOYSA-N 1 0 249.354 2.254 10 0 BEAERO COCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000052785190 174393259 /nfs/dbraw/zinc/39/32/59/174393259.db2.gz WHBQSABEKVYFBI-MRVPVSSYSA-N 1 0 239.706 2.253 10 0 BEAERO COCC[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000043648862 174399045 /nfs/dbraw/zinc/39/90/45/174399045.db2.gz VJGCLIOQRUBRFI-AAEUAGOBSA-N 1 0 205.301 2.285 10 0 BEAERO COC[C@@H]([NH2+][C@@H](CC(C)C)CN(C)C)C(C)C ZINC000126355113 174486700 /nfs/dbraw/zinc/48/67/00/174486700.db2.gz YRUFFUJZWDHKAW-UONOGXRCSA-N 1 0 244.423 2.223 10 0 BEAERO COC[C@@H]1CCCC[N@H+](C[C@@](C)(O)C(C)C)C1 ZINC000364357360 174501087 /nfs/dbraw/zinc/50/10/87/174501087.db2.gz RLUUSMDZFQRTIR-ZIAGYGMSSA-N 1 0 243.391 2.142 10 0 BEAERO COC[C@H](C)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000044478393 174533051 /nfs/dbraw/zinc/53/30/51/174533051.db2.gz WSKIFFJZIGIWPB-SNVBAGLBSA-N 1 0 237.343 2.381 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCC2)C12CCC2 ZINC000376178784 174784569 /nfs/dbraw/zinc/78/45/69/174784569.db2.gz UNTPYPVGYKRVMC-ADEWGFFLSA-N 1 0 209.333 2.332 10 0 BEAERO CCC(C)(CC)NC(=O)C[C@H]([NH3+])C(C)C ZINC000225811329 487629172 /nfs/dbraw/zinc/62/91/72/487629172.db2.gz QFJLDWNSSXWQBL-JTQLQIEISA-N 1 0 214.353 2.055 10 0 BEAERO COc1cc(/C=C/[C@H](C)[NH3+])cc(OC)c1OC ZINC000083592256 174941012 /nfs/dbraw/zinc/94/10/12/174941012.db2.gz GSQBPLOMZOYGKG-CYNONHLPSA-N 1 0 237.299 2.073 10 0 BEAERO COc1cc(C)ccc1OC[C@@H]([NH3+])C(C)C ZINC000041243175 174969656 /nfs/dbraw/zinc/96/96/56/174969656.db2.gz ACZCRLRAWIANKY-LLVKDONJSA-N 1 0 223.316 2.366 10 0 BEAERO COc1cc(F)ccc1N[C@@H]1CCC[NH2+]CC1 ZINC000129193733 174994305 /nfs/dbraw/zinc/99/43/05/174994305.db2.gz FZKVLJFPUVRXTM-LLVKDONJSA-N 1 0 238.306 2.388 10 0 BEAERO COc1cc(NC[C@H]2CCCC[N@@H+]2C)ccc1N ZINC000104249272 175002462 /nfs/dbraw/zinc/00/24/62/175002462.db2.gz DBJIBQUIVFWVQW-GFCCVEGCSA-N 1 0 249.358 2.174 10 0 BEAERO COc1cc(OC)cc(OC[C@@H]([NH3+])C(C)C)c1 ZINC000041282169 175010078 /nfs/dbraw/zinc/01/00/78/175010078.db2.gz BIBKSXLBEYADAA-CYBMUJFWSA-N 1 0 239.315 2.066 10 0 BEAERO COc1cc(OC)cc([C@@H]2C[C@H](C)C[NH2+]2)c1 ZINC000082364224 175011085 /nfs/dbraw/zinc/01/10/85/175011085.db2.gz YDLJQEDATZSESB-ZANVPECISA-N 1 0 221.300 2.374 10 0 BEAERO COc1cc(Oc2cc(C)ncn2)ccc1C[NH3+] ZINC000011849423 175012890 /nfs/dbraw/zinc/01/28/90/175012890.db2.gz QZKLXTWPXGQUTO-UHFFFAOYSA-N 1 0 245.282 2.045 10 0 BEAERO COc1cc([C@@H](C)[NH3+])ccc1Br ZINC000083593111 175013011 /nfs/dbraw/zinc/01/30/11/175013011.db2.gz TZPQBWQYEUMEGL-ZCFIWIBFSA-N 1 0 230.105 2.477 10 0 BEAERO COc1cc(SC)cc(OC)c1C[C@H](C)[NH3+] ZINC000013641820 175013408 /nfs/dbraw/zinc/01/34/08/175013408.db2.gz OAFDDZCNQLOKNK-QMMMGPOBSA-N 1 0 241.356 2.315 10 0 BEAERO COc1cc([C@@H]2CCC[N@H+](C)C2)ccc1N ZINC000075906355 175014931 /nfs/dbraw/zinc/01/49/31/175014931.db2.gz ZFSUHCWWEUIUHP-LLVKDONJSA-N 1 0 220.316 2.087 10 0 BEAERO COc1cc([C@@H]2C[C@@H](C)C[NH2+]2)c(C)cc1O ZINC000003705261 175015264 /nfs/dbraw/zinc/01/52/64/175015264.db2.gz IPOUCMSEJCUHPX-KCJUWKMLSA-N 1 0 221.300 2.380 10 0 BEAERO COc1cc([C@@H]2CC[C@H]2[NH3+])c(OC)cc1C ZINC000006069837 175015515 /nfs/dbraw/zinc/01/55/15/175015515.db2.gz RUSUFOFGWALPJC-GXSJLCMTSA-N 1 0 221.300 2.217 10 0 BEAERO COc1cc([C@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000041282039 175017029 /nfs/dbraw/zinc/01/70/29/175017029.db2.gz AIYQEQAFXZQNRR-GFCCVEGCSA-N 1 0 239.315 2.368 10 0 BEAERO COc1cc([C@H]2CCC[NH2+]C2)cc(F)c1F ZINC000216077167 175017250 /nfs/dbraw/zinc/01/72/50/175017250.db2.gz HRUNEWGPSZFQAJ-QMMMGPOBSA-N 1 0 227.254 2.440 10 0 BEAERO COc1cc2c(c(OC)c1OC)CCC[C@H]2[NH3+] ZINC000054742703 175020586 /nfs/dbraw/zinc/02/05/86/175020586.db2.gz HWGQKXGDNDHPFW-SNVBAGLBSA-N 1 0 237.299 2.049 10 0 BEAERO COc1cc2c(cc1OC)[C@@H](C)C[C@H]2[NH3+] ZINC000041216121 175025491 /nfs/dbraw/zinc/02/54/91/175025491.db2.gz BRJYCLBCIIEMID-OIBJUYFYSA-N 1 0 207.273 2.211 10 0 BEAERO COc1cc2ccn(C)c3cc[nH+]c(c1O)c23 ZINC000038313430 175027272 /nfs/dbraw/zinc/02/72/72/175027272.db2.gz FTOJYZQUGOVWIX-UHFFFAOYSA-N 1 0 228.251 2.441 10 0 BEAERO COc1cc2[nH+]c(N)n(CC(C)C)c2cc1OC ZINC000075415214 175028402 /nfs/dbraw/zinc/02/84/02/175028402.db2.gz KJAJFHVTWMLGPQ-UHFFFAOYSA-N 1 0 249.314 2.292 10 0 BEAERO COc1ccc(-c2cnc(C[NH3+])s2)cc1 ZINC000045206055 175036339 /nfs/dbraw/zinc/03/63/39/175036339.db2.gz PNOHNGXGIIIRDP-UHFFFAOYSA-N 1 0 220.297 2.277 10 0 BEAERO COc1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC000082642476 175037103 /nfs/dbraw/zinc/03/71/03/175037103.db2.gz ZJLOYPZGDCNJNB-UHFFFAOYSA-N 1 0 214.268 2.216 10 0 BEAERO COc1ccc(-c2nc([C@H](C)[NH3+])c[nH]2)cc1 ZINC000082517058 175040088 /nfs/dbraw/zinc/04/00/88/175040088.db2.gz XKJIIHIJVXCSLK-QMMMGPOBSA-N 1 0 217.272 2.105 10 0 BEAERO COc1ccc(/C(C)=C/CC[NH3+])cc1OC ZINC000041237504 175045632 /nfs/dbraw/zinc/04/56/32/175045632.db2.gz XFAYSRFSFZLULL-BJMVGYQFSA-N 1 0 221.300 2.456 10 0 BEAERO COc1ccc(Br)cc1/C=C/C[NH3+] ZINC000069049719 175051437 /nfs/dbraw/zinc/05/14/37/175051437.db2.gz PNWCNIXAQYNROD-NSCUHMNNSA-N 1 0 242.116 2.430 10 0 BEAERO COc1ccc(C(=[NH2+])NC(C)(C)C)cc1OC ZINC000062994905 175051804 /nfs/dbraw/zinc/05/18/04/175051804.db2.gz BZFURKBIWGTFPF-UHFFFAOYSA-N 1 0 236.315 2.417 10 0 BEAERO COc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1Cl ZINC000036164266 175066225 /nfs/dbraw/zinc/06/62/25/175066225.db2.gz LWMHNPWILCUUDC-SNVBAGLBSA-N 1 0 239.702 2.283 10 0 BEAERO COc1ccc(C(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000058327569 175066396 /nfs/dbraw/zinc/06/63/96/175066396.db2.gz HYUMMIOGCXBFRA-GFCCVEGCSA-N 1 0 219.284 2.020 10 0 BEAERO COc1ccc(C)cc1C[C@@H]1CSC[C@@H]1[NH3+] ZINC000098092346 175076848 /nfs/dbraw/zinc/07/68/48/175076848.db2.gz YGHAUYYGVOCDFM-NEPJUHHUSA-N 1 0 237.368 2.236 10 0 BEAERO COc1ccc(C)cc1NC[C@@H](C)CC[NH3+] ZINC000049818997 175078522 /nfs/dbraw/zinc/07/85/22/175078522.db2.gz SXTMOJPDYZNZSM-NSHDSACASA-N 1 0 222.332 2.400 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])CN(C)C1CC1 ZINC000037080996 175080009 /nfs/dbraw/zinc/08/00/09/175080009.db2.gz MCAAMWNWJUJHHJ-ZDUSSCGKSA-N 1 0 234.343 2.098 10 0 BEAERO COc1ccc(C)cc1[C@@H]1C[NH2+]C[C@H](C)O1 ZINC000036986394 175080583 /nfs/dbraw/zinc/08/05/83/175080583.db2.gz NMYBQXPYFLOTIC-GWCFXTLKSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc(C)cc1[C@@H]1CSCC[NH2+]1 ZINC000041243333 175080704 /nfs/dbraw/zinc/08/07/04/175080704.db2.gz UCTQUVCVQOGZHB-NSHDSACASA-N 1 0 223.341 2.381 10 0 BEAERO COc1ccc(C)cc1[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000033465516 175081824 /nfs/dbraw/zinc/08/18/24/175081824.db2.gz HCASEQGCXZLYQQ-SMDDNHRTSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc(C)cc1[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000071569481 175082716 /nfs/dbraw/zinc/08/27/16/175082716.db2.gz UQVIAOAHPBMAIR-IUODEOHRSA-N 1 0 249.354 2.211 10 0 BEAERO COc1ccc(C2=CC[NH2+]CC2)cc1F ZINC000019811470 175084878 /nfs/dbraw/zinc/08/48/78/175084878.db2.gz XMSXESZMUFVAMN-UHFFFAOYSA-N 1 0 207.248 2.211 10 0 BEAERO COc1ccc(CCC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000071561886 175088646 /nfs/dbraw/zinc/08/86/46/175088646.db2.gz LSFOCUBQMKUVKO-ZDUSSCGKSA-N 1 0 247.338 2.197 10 0 BEAERO COc1ccc(CC[C@@H]2COC[C@@H](C)[NH2+]2)cc1 ZINC000071545519 175093643 /nfs/dbraw/zinc/09/36/43/175093643.db2.gz CHLMCFVSTDKEHN-DGCLKSJQSA-N 1 0 235.327 2.005 10 0 BEAERO COc1ccc(CN(CC[NH3+])C(C)(C)C)cc1 ZINC000076619661 175096743 /nfs/dbraw/zinc/09/67/43/175096743.db2.gz HOXAVOSWJKWOSQ-UHFFFAOYSA-N 1 0 236.359 2.254 10 0 BEAERO COc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)cc1 ZINC000294998342 175099212 /nfs/dbraw/zinc/09/92/12/175099212.db2.gz LBYMTZCZCCKVLE-RISCZKNCSA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccc(CO)cc1C[NH+]1CCCCC1 ZINC000045206450 175113511 /nfs/dbraw/zinc/11/35/11/175113511.db2.gz VAFRGSHIDURSHM-UHFFFAOYSA-N 1 0 235.327 2.173 10 0 BEAERO COc1ccc(COCCC[NH3+])c(Cl)c1 ZINC000077358837 175113555 /nfs/dbraw/zinc/11/35/55/175113555.db2.gz IOJJOQISIZCZSZ-UHFFFAOYSA-N 1 0 229.707 2.214 10 0 BEAERO COc1ccc(CO[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000050503349 175114275 /nfs/dbraw/zinc/11/42/75/175114275.db2.gz ZYJRRSTWRICOTL-CHWSQXEVSA-N 1 0 221.300 2.092 10 0 BEAERO COc1ccc(C[C@@H](C[NH3+])C2CC2)c(OC)c1 ZINC000041266229 175115513 /nfs/dbraw/zinc/11/55/13/175115513.db2.gz AYLMJENGZNYSIP-LBPRGKRZSA-N 1 0 235.327 2.231 10 0 BEAERO COc1ccc(C[C@@H](C[NH3+])C(C)C)cc1OC ZINC000041278934 175115684 /nfs/dbraw/zinc/11/56/84/175115684.db2.gz LUIJJKVLNOKQNS-LBPRGKRZSA-N 1 0 237.343 2.477 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])Cc2ccncc2)cc1 ZINC000088529990 175115869 /nfs/dbraw/zinc/11/58/69/175115869.db2.gz BASUDMFRMZIDJS-CQSZACIVSA-N 1 0 242.322 2.203 10 0 BEAERO COc1ccc(C[C@@H](C[NH3+])C(C)C)c(OC)c1 ZINC000041278979 175115969 /nfs/dbraw/zinc/11/59/69/175115969.db2.gz REQPSFAWPOZKHQ-LBPRGKRZSA-N 1 0 237.343 2.477 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])C2CCC2)cc1 ZINC000038128780 175115997 /nfs/dbraw/zinc/11/59/97/175115997.db2.gz BAKZFSMEYZPKPA-CYBMUJFWSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccc(C[C@@](C)(C[NH3+])N(C)C2CC2)cc1 ZINC000071169091 175116410 /nfs/dbraw/zinc/11/64/10/175116410.db2.gz IECNFZYRNMPYQY-HNNXBMFYSA-N 1 0 248.370 2.049 10 0 BEAERO COc1ccc(C[C@H]2CCC[NH2+]2)cc1F ZINC000041218417 175117699 /nfs/dbraw/zinc/11/76/99/175117699.db2.gz ZSWROUCSKCLTOV-SNVBAGLBSA-N 1 0 209.264 2.129 10 0 BEAERO COc1ccc(Cl)cc1N1CC[C@H](C[NH3+])C1 ZINC000011891651 175121299 /nfs/dbraw/zinc/12/12/99/175121299.db2.gz VEBHFADJPBTJOE-SECBINFHSA-N 1 0 240.734 2.134 10 0 BEAERO COc1ccc(F)cc1[C@@H]1CC[C@H](CC[NH3+])O1 ZINC000040848118 175133383 /nfs/dbraw/zinc/13/33/83/175133383.db2.gz WFCMRRKVDOAHNR-MFKMUULPSA-N 1 0 239.290 2.403 10 0 BEAERO COc1ccc(F)cc1[C@H](O)CC[NH2+]C1CC1 ZINC000049829678 175134390 /nfs/dbraw/zinc/13/43/90/175134390.db2.gz PNXPRGDFVLCTEB-GFCCVEGCSA-N 1 0 239.290 2.010 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccncc1 ZINC000034957091 175134508 /nfs/dbraw/zinc/13/45/08/175134508.db2.gz YPXZIDLWTLVHDR-CYBMUJFWSA-N 1 0 232.258 2.277 10 0 BEAERO COc1ccc(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000019430475 175146091 /nfs/dbraw/zinc/14/60/91/175146091.db2.gz YHDGNEINAYTTRI-GHMZBOCLSA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccc(NC(=O)[C@](C)([NH3+])C2CC2)c(C)c1 ZINC000061568195 175147188 /nfs/dbraw/zinc/14/71/88/175147188.db2.gz ZLAIYFFIUKFRJB-CQSZACIVSA-N 1 0 248.326 2.070 10 0 BEAERO COc1ccc(NC2=[NH+]CCC2)cc1OC ZINC000003866627 175149162 /nfs/dbraw/zinc/14/91/62/175149162.db2.gz OSUCKILPSZIRAC-UHFFFAOYSA-N 1 0 220.272 2.308 10 0 BEAERO COc1ccc(NCCC[NH3+])cc1Cl ZINC000082595572 175150339 /nfs/dbraw/zinc/15/03/39/175150339.db2.gz DRUMKPVHHHCFHX-UHFFFAOYSA-N 1 0 214.696 2.109 10 0 BEAERO COc1ccc(OC)c(/C(C)=C/CC[NH3+])c1 ZINC000041237520 175163770 /nfs/dbraw/zinc/16/37/70/175163770.db2.gz PCAOWSRCTITFOD-BJMVGYQFSA-N 1 0 221.300 2.456 10 0 BEAERO COc1ccc(OC)c(/C(C)=C/C[NH3+])c1 ZINC000069050127 175163793 /nfs/dbraw/zinc/16/37/93/175163793.db2.gz SSNSNKURMRCJAE-RMKNXTFCSA-N 1 0 207.273 2.066 10 0 BEAERO COc1ccc(OC)c(CC[C@@H]2CCC[NH2+]2)c1 ZINC000041266194 175165158 /nfs/dbraw/zinc/16/51/58/175165158.db2.gz GJXOYCSOEZACON-LBPRGKRZSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])c2ccncc2)c1 ZINC000011832481 175167768 /nfs/dbraw/zinc/16/77/68/175167768.db2.gz FZGXDHVVHWGMHP-AWEZNQCLSA-N 1 0 244.294 2.147 10 0 BEAERO COc1ccc(OC)c([C@H]([NH3+])C(C)C)c1 ZINC000019967563 175169043 /nfs/dbraw/zinc/16/90/43/175169043.db2.gz CPFFRWSVRNWYTM-GFCCVEGCSA-N 1 0 209.289 2.360 10 0 BEAERO COc1ccc(OC)c([C@H]2[C@@H](C[NH3+])C2(C)C)c1 ZINC000076682581 175169867 /nfs/dbraw/zinc/16/98/67/175169867.db2.gz USVHRTBFDXOTGM-YPMHNXCESA-N 1 0 235.327 2.402 10 0 BEAERO COc1ccc(OCCC(C)(C)[NH3+])cc1 ZINC000020398726 175171699 /nfs/dbraw/zinc/17/16/99/175171699.db2.gz DPXWSSQPCAUISH-UHFFFAOYSA-N 1 0 209.289 2.201 10 0 BEAERO COc1ccc([C@@H](C)N2CCC[NH2+]CC2)cc1 ZINC000022100615 175176357 /nfs/dbraw/zinc/17/63/57/175176357.db2.gz QKXHVORPJPJXEH-GFCCVEGCSA-N 1 0 234.343 2.052 10 0 BEAERO COc1ccc([C@@H](CCC[NH3+])OC)cc1C ZINC000049819452 175178236 /nfs/dbraw/zinc/17/82/36/175178236.db2.gz FXJROHVUHAUTLT-CYBMUJFWSA-N 1 0 223.316 2.430 10 0 BEAERO COc1ccc([C@@H](C[NH3+])N(C)CC2CC2)cc1C ZINC000050596724 175178341 /nfs/dbraw/zinc/17/83/41/175178341.db2.gz ZZRZJTOTIDKXLC-CQSZACIVSA-N 1 0 248.370 2.345 10 0 BEAERO COc1ccc([C@@H](CO)[NH2+]C(C)C)cc1Cl ZINC000071558207 175179323 /nfs/dbraw/zinc/17/93/23/175179323.db2.gz QETGMHLLALDJBK-LLVKDONJSA-N 1 0 243.734 2.380 10 0 BEAERO COc1ccc([C@@H](N)C[NH+]2CCC(C)CC2)cc1 ZINC000019821426 175179760 /nfs/dbraw/zinc/17/97/60/175179760.db2.gz LAVYQPVLGRRLNQ-HNNXBMFYSA-N 1 0 248.370 2.427 10 0 BEAERO COc1ccc([C@@H](O)CC[NH2+]C(C)C)cc1C ZINC000049828952 175180612 /nfs/dbraw/zinc/18/06/12/175180612.db2.gz XMUKKJKZSZXVHJ-ZDUSSCGKSA-N 1 0 237.343 2.425 10 0 BEAERO COc1ccc([C@@H](O)C2CC[NH2+]CC2)c(C)c1 ZINC000083140130 175180830 /nfs/dbraw/zinc/18/08/30/175180830.db2.gz NIUUSTBCHDBMHP-AWEZNQCLSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc([C@@H](O)CC[NH2+]C(C)C)cc1F ZINC000049830569 175181046 /nfs/dbraw/zinc/18/10/46/175181046.db2.gz MFTHVJAGFIKVHW-LBPRGKRZSA-N 1 0 241.306 2.256 10 0 BEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C(C)C)cc1 ZINC000042960199 175181647 /nfs/dbraw/zinc/18/16/47/175181647.db2.gz JNXSEVOZKOBORH-BXUZGUMPSA-N 1 0 236.359 2.424 10 0 BEAERO COc1ccc([C@@H]([C@H](C)[NH3+])N(C)CC2CC2)cc1 ZINC000042961356 175181877 /nfs/dbraw/zinc/18/18/77/175181877.db2.gz VGMHVIJEUPNUDS-XHDPSFHLSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]C(C)(C)CO2)cc1 ZINC000011803227 175183782 /nfs/dbraw/zinc/18/37/82/175183782.db2.gz HVORQVGDKYCERE-LBPRGKRZSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccc([C@@H]2C[C@H]2[NH3+])cc1OC(F)F ZINC000037381364 175185675 /nfs/dbraw/zinc/18/56/75/175185675.db2.gz OMMNCTPRPUKSEQ-JGVFFNPUSA-N 1 0 229.226 2.111 10 0 BEAERO COc1ccc([C@@](C)([NH3+])c2cccnc2)cc1 ZINC000037761482 175186431 /nfs/dbraw/zinc/18/64/31/175186431.db2.gz MPHFTOVJGRGZCA-CQSZACIVSA-N 1 0 228.295 2.312 10 0 BEAERO COc1ccc([C@H](C)[NH2+]Cc2cncnc2)cc1 ZINC000112344493 175189600 /nfs/dbraw/zinc/18/96/00/175189600.db2.gz XZLXPEOLRWZYNK-NSHDSACASA-N 1 0 243.310 2.336 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1O ZINC000289822283 175190379 /nfs/dbraw/zinc/19/03/79/175190379.db2.gz PXHSNUVYICEARC-YWVKMMECSA-N 1 0 221.300 2.460 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCOC2)cc1Cl ZINC000048622943 175191609 /nfs/dbraw/zinc/19/16/09/175191609.db2.gz QTPCPDZUJQERCO-SKDRFNHKSA-N 1 0 241.718 2.385 10 0 BEAERO COc1ccc([C@H]([NH3+])C[C@H]2CCCO2)cc1 ZINC000037466796 175191718 /nfs/dbraw/zinc/19/17/18/175191718.db2.gz GPNBIQBZCVOJJL-CHWSQXEVSA-N 1 0 221.300 2.264 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCCO2)c(F)c1 ZINC000050962710 175192246 /nfs/dbraw/zinc/19/22/46/175192246.db2.gz NDPOXHQGZOTJHY-STQMWFEESA-N 1 0 239.290 2.403 10 0 BEAERO COc1ccc([C@H]([NH3+])Cn2nc(C)cc2C)cc1 ZINC000011849933 175192337 /nfs/dbraw/zinc/19/23/37/175192337.db2.gz RMKSFPQYMCPPLM-CQSZACIVSA-N 1 0 245.326 2.209 10 0 BEAERO COc1ccc([C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000082595191 175195744 /nfs/dbraw/zinc/19/57/44/175195744.db2.gz XAUVKDHLMLRFCG-QMMMGPOBSA-N 1 0 211.692 2.426 10 0 BEAERO COc1ccc([C@H]2[NH2+]CCS2)cc1C ZINC000033885552 175199435 /nfs/dbraw/zinc/19/94/35/175199435.db2.gz ICIIFALJCTZJPJ-NSHDSACASA-N 1 0 209.314 2.339 10 0 BEAERO COc1ccc2c(c1)CCC[C@H]2CC[NH3+] ZINC000043559332 175207994 /nfs/dbraw/zinc/20/79/94/175207994.db2.gz ZFDFNVHRNDGSTR-JTQLQIEISA-N 1 0 205.301 2.464 10 0 BEAERO COc1ccc2c(c1)CCC[C@]21CC[NH2+]C1 ZINC000027738550 175209105 /nfs/dbraw/zinc/20/91/05/175209105.db2.gz RXEVEFQGXDSIHV-CQSZACIVSA-N 1 0 217.312 2.263 10 0 BEAERO COc1ccc2c(c1)CC[C@H](n1cccn1)[C@H]2[NH3+] ZINC000019270986 175209629 /nfs/dbraw/zinc/20/96/29/175209629.db2.gz COYSHJQTPLECRV-KBPBESRZSA-N 1 0 243.310 2.079 10 0 BEAERO COc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)[C@H]2N ZINC000019394985 175210023 /nfs/dbraw/zinc/21/00/23/175210023.db2.gz OJMFIOXFHYFRTA-GJZGRUSLSA-N 1 0 246.354 2.106 10 0 BEAERO COc1ccc2c(c1)SCC[C@@H]([NH3+])C2 ZINC000082949980 175213224 /nfs/dbraw/zinc/21/32/24/175213224.db2.gz WJQONIRGECYNLO-SECBINFHSA-N 1 0 209.314 2.061 10 0 BEAERO COc1ccc2c(c1)SCC[C@H]([NH3+])C2 ZINC000082949979 175213542 /nfs/dbraw/zinc/21/35/42/175213542.db2.gz WJQONIRGECYNLO-VIFPVBQESA-N 1 0 209.314 2.061 10 0 BEAERO COc1ccc2c(c1)nc(CCC[NH3+])n2C1CC1 ZINC000076003443 175218672 /nfs/dbraw/zinc/21/86/72/175218672.db2.gz FXTRWAWYCLOPBJ-UHFFFAOYSA-N 1 0 245.326 2.271 10 0 BEAERO COc1ccc2c(c1)[nH+]c(N)n2C(C)(C)C ZINC000075947311 175220250 /nfs/dbraw/zinc/22/02/50/175220250.db2.gz QKKLDTUOJYDROW-UHFFFAOYSA-N 1 0 219.288 2.382 10 0 BEAERO COc1ccc2c(ccn2C[C@H](C)C[NH3+])c1 ZINC000036986950 175223116 /nfs/dbraw/zinc/22/31/16/175223116.db2.gz RWDILPQADBGOIC-SNVBAGLBSA-N 1 0 218.300 2.245 10 0 BEAERO COc1ccc2c3c([nH]c2c1OC)[C@@H]([NH3+])CC3 ZINC000020217082 175223543 /nfs/dbraw/zinc/22/35/43/175223543.db2.gz LPARADBCOWTGDM-VIFPVBQESA-N 1 0 232.283 2.131 10 0 BEAERO COc1ccc2c3c1[C@H](C[NH3+])CC[C@@H]3CO2 ZINC000013525288 175223934 /nfs/dbraw/zinc/22/39/34/175223934.db2.gz NMAPUKLHAPDGKS-DTWKUNHWSA-N 1 0 219.284 2.007 10 0 BEAERO COc1ccc2c(ccc3c2C[NH2+]CC3)c1 ZINC000013766766 175224097 /nfs/dbraw/zinc/22/40/97/175224097.db2.gz LTVUTAZPBISUIF-UHFFFAOYSA-N 1 0 213.280 2.494 10 0 in-vivo BEAERO COc1ccc2ccccc2c1[C@H](O)[C@@H](C)[NH3+] ZINC000037290038 175226500 /nfs/dbraw/zinc/22/65/00/175226500.db2.gz IPUGESOQARFGAH-YMTOWFKASA-N 1 0 231.295 2.229 10 0 BEAERO COc1ccc2nc(C(C)(C)[NH3+])sc2c1 ZINC000045236818 175227913 /nfs/dbraw/zinc/22/79/13/175227913.db2.gz TYDVTGBTVBHQLS-UHFFFAOYSA-N 1 0 222.313 2.499 10 0 BEAERO COc1ccc2nc([C@H]([NH3+])C(C)C)oc2c1 ZINC000098096164 175229973 /nfs/dbraw/zinc/22/99/73/175229973.db2.gz DCBJONJZQDMPFK-LLVKDONJSA-N 1 0 220.272 2.492 10 0 BEAERO COc1ccc2oc([C@@H]3CCC[NH2+]C3)nc2c1 ZINC000062530651 175231183 /nfs/dbraw/zinc/23/11/83/175231183.db2.gz DZANTUPLEGKWKM-SECBINFHSA-N 1 0 232.283 2.303 10 0 BEAERO COc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)c1 ZINC000037894666 175266753 /nfs/dbraw/zinc/26/67/53/175266753.db2.gz RBAYPPJASAEPCM-CABCVRRESA-N 1 0 249.354 2.478 10 0 BEAERO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000219015919 175266884 /nfs/dbraw/zinc/26/68/84/175266884.db2.gz RIWCWGSLACBCQL-UKRRQHHQSA-N 1 0 249.354 2.336 10 0 BEAERO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000219016075 175267324 /nfs/dbraw/zinc/26/73/24/175267324.db2.gz RIWCWGSLACBCQL-DZGCQCFKSA-N 1 0 249.354 2.336 10 0 BEAERO COc1cccc(CNc2[nH+]ccn2C)c1 ZINC000008699738 175268894 /nfs/dbraw/zinc/26/88/94/175268894.db2.gz DGDGVFZKGXJLCS-UHFFFAOYSA-N 1 0 217.272 2.041 10 0 BEAERO COc1cccc(C[C@H](C[NH3+])C(C)C)c1 ZINC000041216395 175271758 /nfs/dbraw/zinc/27/17/58/175271758.db2.gz DRDFTYSJUPLJLO-GFCCVEGCSA-N 1 0 207.317 2.469 10 0 BEAERO COc1cccc(N(CCC[NH3+])CC(F)F)c1 ZINC000037755629 175275331 /nfs/dbraw/zinc/27/53/31/175275331.db2.gz DWEYYICAGQJSHP-UHFFFAOYSA-N 1 0 244.285 2.116 10 0 BEAERO COc1cccc(NC(=O)[C@H](C)CCC[NH3+])c1 ZINC000076619141 175277156 /nfs/dbraw/zinc/27/71/56/175277156.db2.gz AXOPXDSKWINCGA-SNVBAGLBSA-N 1 0 236.315 2.009 10 0 BEAERO COc1cccc(NC2(C[NH3+])CCC(C)CC2)n1 ZINC000104311411 175278506 /nfs/dbraw/zinc/27/85/06/175278506.db2.gz DTCQCTAQPYHTGB-UHFFFAOYSA-N 1 0 249.358 2.410 10 0 BEAERO COc1cccc(OCCCCC[NH3+])c1 ZINC000041218733 175282971 /nfs/dbraw/zinc/28/29/71/175282971.db2.gz UPGILXKKFBDPSV-UHFFFAOYSA-N 1 0 209.289 2.203 10 0 BEAERO COc1cccc(OC[C@@H]([NH3+])C(C)C)c1OC ZINC000041282139 175284048 /nfs/dbraw/zinc/28/40/48/175284048.db2.gz QRUVKVMEGVHQCP-SNVBAGLBSA-N 1 0 239.315 2.066 10 0 BEAERO COc1cccc([C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000070627883 175287638 /nfs/dbraw/zinc/28/76/38/175287638.db2.gz FEWXZMIVEAKPBV-ZYHUDNBSSA-N 1 0 205.301 2.408 10 0 BEAERO COc1cccc([C@@H](N)C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000036785176 175288511 /nfs/dbraw/zinc/28/85/11/175288511.db2.gz ZGYMJPDWWRJSLK-NHYWBVRUSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@@H]([NH3+])C(C)C)c1OC ZINC000084388798 175288698 /nfs/dbraw/zinc/28/86/98/175288698.db2.gz CLUGXDVCZWRSBO-NSHDSACASA-N 1 0 209.289 2.360 10 0 BEAERO COc1cccc([C@@H](O)CC[NH2+]C(C)C)c1 ZINC000049819437 175288717 /nfs/dbraw/zinc/28/87/17/175288717.db2.gz NERGIRWOGDCQHY-ZDUSSCGKSA-N 1 0 223.316 2.117 10 0 BEAERO COc1cccc([C@@H]([NH3+])[C@@H]2CCCOC2)c1 ZINC000082364248 175289176 /nfs/dbraw/zinc/28/91/76/175289176.db2.gz OTSLTZKQNJDQCB-DGCLKSJQSA-N 1 0 221.300 2.122 10 0 BEAERO COc1cccc([C@H]([NH3+])CN2CCCCC2)c1 ZINC000019821400 175293943 /nfs/dbraw/zinc/29/39/43/175293943.db2.gz RFPXTMTXNWXLFQ-CQSZACIVSA-N 1 0 234.343 2.181 10 0 BEAERO COc1cccc([C@H]([C@@H](C)[NH3+])N2CCCC2)c1 ZINC000043025407 175296005 /nfs/dbraw/zinc/29/60/05/175296005.db2.gz NUYDEGMHCVTPIO-RISCZKNCSA-N 1 0 234.343 2.179 10 0 BEAERO COc1cccc([C@H]2C[NH2+][C@H](C)C2)c1OC ZINC000070586780 175296348 /nfs/dbraw/zinc/29/63/48/175296348.db2.gz BWWSIXJYNHKROV-NXEZZACHSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cccc([C@H]2[NH2+]CC[C@H]2C)c1OC ZINC000003733759 175296793 /nfs/dbraw/zinc/29/67/93/175296793.db2.gz AZTOPYQOSAALLA-SKDRFNHKSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cccc2c1CC[NH2+][C@H]2C1CCOCC1 ZINC000083665568 175301790 /nfs/dbraw/zinc/30/17/90/175301790.db2.gz IKDWSLBNGTVIIF-HNNXBMFYSA-N 1 0 247.338 2.309 10 0 BEAERO COc1ccccc1-c1nc(C[NH3+])cs1 ZINC000040414601 175310801 /nfs/dbraw/zinc/31/08/01/175310801.db2.gz KHQIHGXGSYZUBV-UHFFFAOYSA-N 1 0 220.297 2.277 10 0 BEAERO COc1ccccc1-c1nc(CC[NH3+])cs1 ZINC000011755516 175311251 /nfs/dbraw/zinc/31/12/51/175311251.db2.gz LQLCTPFKGOIGBA-UHFFFAOYSA-N 1 0 234.324 2.320 10 0 in-vitro BEAERO COc1ccccc1CN(CC[NH3+])CC(C)C ZINC000032090132 175326283 /nfs/dbraw/zinc/32/62/83/175326283.db2.gz KAYCLHKIODNYEA-UHFFFAOYSA-N 1 0 236.359 2.112 10 0 BEAERO COc1ccccc1CN1CC(C)(C)[NH2+]C[C@H]1C ZINC000041302224 175326503 /nfs/dbraw/zinc/32/65/03/175326503.db2.gz VONNYKBLPIEZIU-GFCCVEGCSA-N 1 0 248.370 2.268 10 0 BEAERO COc1ccccc1CN1CCC[NH2+][C@H](C)CC1 ZINC000049663961 175328359 /nfs/dbraw/zinc/32/83/59/175328359.db2.gz UTSSQORQLBWOLH-CYBMUJFWSA-N 1 0 248.370 2.269 10 0 BEAERO COc1ccccc1C[C@@H]1CCC[C@@H]1[NH3+] ZINC000043457491 175332606 /nfs/dbraw/zinc/33/26/06/175332606.db2.gz OVKNASVDCAGKLZ-JQWIXIFHSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccccc1N(C)C(=[NH2+])NC(C)(C)C ZINC000052040123 175335028 /nfs/dbraw/zinc/33/50/28/175335028.db2.gz JRDPRQNQEKEUCC-UHFFFAOYSA-N 1 0 235.331 2.454 10 0 BEAERO COc1ccccc1N1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049663111 175335681 /nfs/dbraw/zinc/33/56/81/175335681.db2.gz KEFUODQTDYRPFG-BETUJISGSA-N 1 0 248.370 2.377 10 0 BEAERO COc1ccccc1N(CCC[NH3+])CC1CC1 ZINC000036765319 175336243 /nfs/dbraw/zinc/33/62/43/175336243.db2.gz ANAXMFWZEPHLBZ-UHFFFAOYSA-N 1 0 234.343 2.260 10 0 BEAERO COc1ccccc1N[C@@H](C[NH3+])c1ccco1 ZINC000057520323 175338686 /nfs/dbraw/zinc/33/86/86/175338686.db2.gz NHKJPBCDHDJLFO-NSHDSACASA-N 1 0 232.283 2.400 10 0 BEAERO COc1ccccc1N[C@H](C[NH3+])C(C)(C)C ZINC000083764187 175338824 /nfs/dbraw/zinc/33/88/24/175338824.db2.gz RXNPCZUZCCWTAM-GFCCVEGCSA-N 1 0 222.332 2.481 10 0 BEAERO COc1ccccc1Nc1cc[nH+]cc1N ZINC000020584754 175340163 /nfs/dbraw/zinc/34/01/63/175340163.db2.gz UROYMAJNQYFXDE-UHFFFAOYSA-N 1 0 215.256 2.416 10 0 BEAERO COc1ccccc1OCCC(C)(C)C[NH3+] ZINC000057714058 175340339 /nfs/dbraw/zinc/34/03/39/175340339.db2.gz JGFACBHZHFFEIO-UHFFFAOYSA-N 1 0 223.316 2.449 10 0 BEAERO COc1ccccc1O[C@@H]1CCCC[NH2+]1 ZINC000095929907 175342907 /nfs/dbraw/zinc/34/29/07/175342907.db2.gz HDVBILJGOVKRDH-GFCCVEGCSA-N 1 0 207.273 2.174 10 0 BEAERO COc1ccccc1[C@@H](C)N1CCC[NH2+]CC1 ZINC000022100066 175345401 /nfs/dbraw/zinc/34/54/01/175345401.db2.gz UZANXFOKZHRDNK-GFCCVEGCSA-N 1 0 234.343 2.052 10 0 BEAERO COc1ccccc1[C@@H](O)C[NH+]1CCCCC1 ZINC000019784931 175347525 /nfs/dbraw/zinc/34/75/25/175347525.db2.gz GKILLQMBDUYYPL-ZDUSSCGKSA-N 1 0 235.327 2.215 10 0 BEAERO COc1ccccc1[C@H](C)[NH2+]Cc1ccnn1C ZINC000036901162 175351877 /nfs/dbraw/zinc/35/18/77/175351877.db2.gz LZQJXNSNMDPSBE-NSHDSACASA-N 1 0 245.326 2.280 10 0 BEAERO COc1ccccc1[C@H]([NH3+])[C@H]1CCCOC1 ZINC000082364253 175352947 /nfs/dbraw/zinc/35/29/47/175352947.db2.gz RYVKMRKYAXMVDX-GXFFZTMASA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccccc1[C@H](O)[C@@H]([NH3+])CC(C)C ZINC000032014650 175354398 /nfs/dbraw/zinc/35/43/98/175354398.db2.gz USROZQCQFVCXSK-AAEUAGOBSA-N 1 0 223.316 2.102 10 0 BEAERO COc1ccccc1[C@H](O)C[NH2+][C@H](C)C(C)C ZINC000130483647 175354510 /nfs/dbraw/zinc/35/45/10/175354510.db2.gz RIGCUDNJPXWCPK-DGCLKSJQSA-N 1 0 237.343 2.363 10 0 BEAERO COc1ccccc1[C@](C)(O)C[NH2+]CC(C)C ZINC000033466199 175356069 /nfs/dbraw/zinc/35/60/69/175356069.db2.gz OTMIZJYJFCRIHR-CQSZACIVSA-N 1 0 237.343 2.148 10 0 BEAERO COc1ncccc1[C@@H]([NH3+])c1cccs1 ZINC000061443114 175410973 /nfs/dbraw/zinc/41/09/73/175410973.db2.gz MDZXXLKSDGNRGE-SNVBAGLBSA-N 1 0 220.297 2.200 10 0 BEAERO COc1ncccc1[C@@H]([NH3+])c1ccccc1 ZINC000061443060 175411233 /nfs/dbraw/zinc/41/12/33/175411233.db2.gz OUTXNFJBDFMUCJ-LBPRGKRZSA-N 1 0 214.268 2.138 10 0 BEAERO CSC1(C[NH2+]C[C@@H]2CCC[C@@H]2O)CCC1 ZINC000336657770 175451209 /nfs/dbraw/zinc/45/12/09/175451209.db2.gz ATAGVKQBRGGWQU-QWRGUYRKSA-N 1 0 229.389 2.023 10 0 BEAERO CSc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000375768719 175575669 /nfs/dbraw/zinc/57/56/69/175575669.db2.gz OCJNCSZHBRXPMB-ZSOGYDGISA-N 1 0 249.379 2.391 10 0 BEAERO C[C@@H](CC(=O)NC[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000111646699 175641702 /nfs/dbraw/zinc/64/17/02/175641702.db2.gz UBCFLNCTPZEXRF-NWDGAFQWSA-N 1 0 240.391 2.175 10 0 BEAERO C[C@@H](CCCC[NH3+])Nc1ccc(F)cn1 ZINC000336713135 175664565 /nfs/dbraw/zinc/66/45/65/175664565.db2.gz VJLXFBKVDJXZOQ-VIFPVBQESA-N 1 0 211.284 2.150 10 0 BEAERO C[C@@H](C[NH3+])N(C)[C@@H](C)c1ccccc1F ZINC000062013136 175710134 /nfs/dbraw/zinc/71/01/34/175710134.db2.gz AXZDNAAXGXMSHR-UWVGGRQHSA-N 1 0 210.296 2.166 10 0 BEAERO C[C@@H](C[NH3+])c1nc2c(cccc2Cl)[nH]1 ZINC000054334341 175713813 /nfs/dbraw/zinc/71/38/13/175713813.db2.gz GUXOEGUUXGBDKZ-LURJTMIESA-N 1 0 209.680 2.279 10 0 BEAERO C[C@@H]([NH3+])CCNc1ccnc(C(F)(F)F)c1 ZINC000304260298 175805720 /nfs/dbraw/zinc/80/57/20/175805720.db2.gz IYHPUAVUUAJEFE-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO C[C@@H]([NH3+])CCOc1cccc2cccnc21 ZINC000020429358 175805981 /nfs/dbraw/zinc/80/59/81/175805981.db2.gz IASCHEVNMJTPHD-SNVBAGLBSA-N 1 0 216.284 2.351 10 0 BEAERO C[C@@H]([NH3+])Cc1c(O)ccc2ccccc21 ZINC000019404510 175806330 /nfs/dbraw/zinc/80/63/30/175806330.db2.gz FUMGQVODXRESHP-SECBINFHSA-N 1 0 201.269 2.435 10 0 BEAERO C[C@@H]([NH3+])COc1ccc(Br)cc1F ZINC000075881399 175806542 /nfs/dbraw/zinc/80/65/42/175806542.db2.gz CQHIXWZXYRSGMR-ZCFIWIBFSA-N 1 0 248.095 2.314 10 0 BEAERO C[C@@H]([NH3+])Cc1cc2ccccc2nc1N(C)C ZINC000104267289 175807246 /nfs/dbraw/zinc/80/72/46/175807246.db2.gz JSBNCAWDPJOKKY-SNVBAGLBSA-N 1 0 229.327 2.191 10 0 BEAERO C[C@@H]([NH3+])Cc1ccccc1OC(F)(F)F ZINC000019386322 175807342 /nfs/dbraw/zinc/80/73/42/175807342.db2.gz JGDPCOAAFKKMJS-SSDOTTSWSA-N 1 0 219.206 2.475 10 0 BEAERO C[C@@H]([NH3+])Cc1ccnc(C2CCCCC2)n1 ZINC000054834279 175807428 /nfs/dbraw/zinc/80/74/28/175807428.db2.gz GOUGAGGQYAQPNP-SNVBAGLBSA-N 1 0 219.332 2.414 10 0 BEAERO C[C@@H]([NH3+])[C@H](Sc1cnccn1)c1cccnc1 ZINC000104357014 175812960 /nfs/dbraw/zinc/81/29/60/175812960.db2.gz KNJRIKIQOHOFPN-SKDRFNHKSA-N 1 0 246.339 2.052 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCOC(C)(C)C1 ZINC000042901626 175813482 /nfs/dbraw/zinc/81/34/82/175813482.db2.gz HZUILKRIJZJUOH-TZMCWYRMSA-N 1 0 248.370 2.186 10 0 BEAERO C[C@@H]([NH3+])c1cccc(NC(=O)Nc2cnoc2)c1 ZINC000061685895 175818241 /nfs/dbraw/zinc/81/82/41/175818241.db2.gz KHGCVTABQVOWHD-MRVPVSSYSA-N 1 0 246.270 2.338 10 0 BEAERO C[C@@H]([NH3+])c1nnc(Cc2cccc(F)c2)s1 ZINC000083337467 175821742 /nfs/dbraw/zinc/82/17/42/175821742.db2.gz NFLRLYSNIYLGBL-SSDOTTSWSA-N 1 0 237.303 2.288 10 0 BEAERO C[C@@H]([NH3+])c1noc([C@H]2CCOc3ccccc32)n1 ZINC000104203716 175822037 /nfs/dbraw/zinc/82/20/37/175822037.db2.gz PPVMUYNERIGTNF-SCZZXKLOSA-N 1 0 245.282 2.004 10 0 BEAERO C[C@@H]([NH2+]C(C)(C)C)[C@H](O)c1ccccc1 ZINC000027652144 175855047 /nfs/dbraw/zinc/85/50/47/175855047.db2.gz USKJECUROJSHQU-PWSUYJOCSA-N 1 0 207.317 2.497 10 0 BEAERO C[C@@H](O)c1ccccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061645491 176000270 /nfs/dbraw/zinc/00/02/70/176000270.db2.gz NHZUWYUGVNQNJF-CHWSQXEVSA-N 1 0 248.370 2.270 10 0 BEAERO C[C@@H](OCC[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068589 176002230 /nfs/dbraw/zinc/00/22/30/176002230.db2.gz SXTVTPRCXKXUBC-NEPJUHHUSA-N 1 0 222.332 2.482 10 0 BEAERO C[C@@H](OC[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000095068477 176003098 /nfs/dbraw/zinc/00/30/98/176003098.db2.gz UJTRIJYQNKRSJF-ZJUUUORDSA-N 1 0 226.345 2.363 10 0 BEAERO C[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCCCC1 ZINC000013825275 176011097 /nfs/dbraw/zinc/01/10/97/176011097.db2.gz TUBOXDVNLNZONF-SMDDNHRTSA-N 1 0 235.327 2.300 10 0 BEAERO C[C@@H]([NH3+])[C@H]1CCCCN1[C@@H](C)c1ccccn1 ZINC000063191722 176027473 /nfs/dbraw/zinc/02/74/73/176027473.db2.gz FNUQUNQRAJDRRO-MBNYWOFBSA-N 1 0 233.359 2.344 10 0 BEAERO C[C@@H](c1cccs1)[N@@H+]1CCC[C@H](O)C1 ZINC000095089049 176033981 /nfs/dbraw/zinc/03/39/81/176033981.db2.gz JEOARMHSRANYEO-UWVGGRQHSA-N 1 0 211.330 2.266 10 0 BEAERO C[C@@H](c1cccs1)[N@@H+]1CCC[C@@H](O)C1 ZINC000095089037 176034412 /nfs/dbraw/zinc/03/44/12/176034412.db2.gz JEOARMHSRANYEO-VHSXEESVSA-N 1 0 211.330 2.266 10 0 BEAERO C[C@@H]1CC(N)=[NH+]N1c1cccc(Cl)c1 ZINC000034090140 176053398 /nfs/dbraw/zinc/05/33/98/176053398.db2.gz CBBMDRWTCCWIAE-SSDOTTSWSA-N 1 0 209.680 2.211 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc(N)c1 ZINC000041139640 176074197 /nfs/dbraw/zinc/07/41/97/176074197.db2.gz UPCZDSFVBPHJOR-RISCZKNCSA-N 1 0 234.343 2.177 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1[C@H](CN)Cc1ccccc1 ZINC000036879204 176075300 /nfs/dbraw/zinc/07/53/00/176075300.db2.gz LEZZPDOSFNLFSN-HIFRSBDPSA-N 1 0 232.371 2.431 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1[C@]1(CN)CCCSC1 ZINC000061589836 176075834 /nfs/dbraw/zinc/07/58/34/176075834.db2.gz FBANBKBHFFZLAP-NEPJUHHUSA-N 1 0 228.405 2.085 10 0 BEAERO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@](C)([NH3+])C1CC1 ZINC000042868547 176076541 /nfs/dbraw/zinc/07/65/41/176076541.db2.gz CEGPEHGQGLBMFI-JTNHKYCSSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000037623150 176079256 /nfs/dbraw/zinc/07/92/56/176079256.db2.gz IESZVLHJESFRLI-XVSSEFHLSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000238856628 176081577 /nfs/dbraw/zinc/08/15/77/176081577.db2.gz WPWNYIQXBGKSKO-MROQNXINSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]1CCCC[C@@H]1Oc1ccc(C(N)=[NH2+])cn1 ZINC000019511748 176083073 /nfs/dbraw/zinc/08/30/73/176083073.db2.gz RGZSNYLMSRTZSY-KOLCDFICSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@@H]1CCCC[C@@]1([NH2+]C1CCCCC1)C(N)=O ZINC000037969652 176083569 /nfs/dbraw/zinc/08/35/69/176083569.db2.gz CDEBYQLQZCLGQR-RISCZKNCSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000054766972 176088328 /nfs/dbraw/zinc/08/83/28/176088328.db2.gz XHZVKBMHTWPYQQ-ZYHUDNBSSA-N 1 0 205.305 2.145 10 0 BEAERO C[C@@H]1CCCC[C@]1(CN)[NH+]1CCCCC1 ZINC000019433575 176090480 /nfs/dbraw/zinc/09/04/80/176090480.db2.gz LDOGNOHBLQMZDL-CHWSQXEVSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1CCCC[C@]1([NH2+]Cc1ccccc1)C(N)=O ZINC000037941224 176091167 /nfs/dbraw/zinc/09/11/67/176091167.db2.gz PTJVKHBUKUARNV-IUODEOHRSA-N 1 0 246.354 2.210 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H](N)c2ccccc2)C1 ZINC000036879453 176099680 /nfs/dbraw/zinc/09/96/80/176099680.db2.gz YMKNPGROUHWQOQ-OCCSQVGLSA-N 1 0 218.344 2.418 10 0 BEAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCCCCCC1 ZINC000051792326 176111829 /nfs/dbraw/zinc/11/18/29/176111829.db2.gz HOYDSRBMNGWMGH-OLZOCXBDSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)CC(C)(C)C)[NH2+]1 ZINC000045089372 176112982 /nfs/dbraw/zinc/11/29/82/176112982.db2.gz RCPOBHHSQXJQLY-MNOVXSKESA-N 1 0 226.364 2.022 10 0 BEAERO C[C@@H]1CCC[C@@H](Oc2cc(C[NH3+])ccn2)C1 ZINC000034958119 176125037 /nfs/dbraw/zinc/12/50/37/176125037.db2.gz XZJVUWGPHXZAGW-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@@](CO)([NH2+]C2CCCC2)C1 ZINC000038122668 176134150 /nfs/dbraw/zinc/13/41/50/176134150.db2.gz KHQDSOIZTXGAEF-DGCLKSJQSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3C2)[NH2+]1 ZINC000050912606 176135285 /nfs/dbraw/zinc/13/52/85/176135285.db2.gz WMRUMDZKXGIQII-BXUZGUMPSA-N 1 0 244.338 2.059 10 0 BEAERO C[C@@H]1CCC[C@H](CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000133312546 176137615 /nfs/dbraw/zinc/13/76/15/176137615.db2.gz CNUUGKSCTQCYHI-JHJVBQTASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CCC[C@H](Oc2ccnc(C(N)=[NH2+])c2)C1 ZINC000061814586 176146013 /nfs/dbraw/zinc/14/60/13/176146013.db2.gz VCDPDVNXLORFBP-ZJUUUORDSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@@H]1CCC[C@H](Oc2ccc(C[NH3+])cn2)C1 ZINC000034958113 176146427 /nfs/dbraw/zinc/14/64/27/176146427.db2.gz HKRBUKILSDYFOM-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@](O)(C[NH2+]C2CCCC2)C1 ZINC000055030904 176152094 /nfs/dbraw/zinc/15/20/94/176152094.db2.gz SFABRULZXUBJGX-DGCLKSJQSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)OC2CCCC2)C1 ZINC000041036820 176152379 /nfs/dbraw/zinc/15/23/79/176152379.db2.gz MAGCLUOVIYWTAD-ZWNOBZJWSA-N 1 0 225.332 2.380 10 0 BEAERO C[C@@H]1CCC[C@](C[NH3+])(OC2CCOCC2)C1 ZINC000050503974 176152522 /nfs/dbraw/zinc/15/25/22/176152522.db2.gz STSXDYPSPFZNIE-YPMHNXCESA-N 1 0 227.348 2.090 10 0 BEAERO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000054292846 176155265 /nfs/dbraw/zinc/15/52/65/176155265.db2.gz VFPABHLDPYRZSS-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CCN(C)CC[N@@H+]1CC1(C)CCC1 ZINC000336138170 176166205 /nfs/dbraw/zinc/16/62/05/176166205.db2.gz FBRLXMNIFGIXMP-GFCCVEGCSA-N 1 0 210.365 2.203 10 0 BEAERO C[C@@H]1CC[N@@H+](C2(C)CCCCC2)CCN1 ZINC000045046690 176166950 /nfs/dbraw/zinc/16/69/50/176166950.db2.gz SNFMHMRMCCDLTH-GFCCVEGCSA-N 1 0 210.365 2.393 10 0 BEAERO C[C@@H]1CC[N@H+](CC2CCCC2)[C@@H](CN)C1 ZINC000224844257 176168666 /nfs/dbraw/zinc/16/86/66/176168666.db2.gz FNGZXSRZGZLRFZ-DGCLKSJQSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@](C)(N)c2ccccc2)C1 ZINC000052883414 176173467 /nfs/dbraw/zinc/17/34/67/176173467.db2.gz ISEYZUOKPGKVBE-OCCSQVGLSA-N 1 0 218.344 2.202 10 0 BEAERO C[C@@H]1CCN(Cc2ccccc2)[C@H](C)[C@@H]1[NH3+] ZINC000068592924 176175930 /nfs/dbraw/zinc/17/59/30/176175930.db2.gz ZWBZAXCNTIOTLB-YRGRVCCFSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@@H]1CCN(Cc2ccco2)CC[C@@H](C)[NH2+]1 ZINC000049664337 176176719 /nfs/dbraw/zinc/17/67/19/176176719.db2.gz MYTLHYOZKAFUTN-VXGBXAGGSA-N 1 0 222.332 2.242 10 0 BEAERO C[C@@H]1CCN(Cc2ccncc2)CC[C@@H](C)[NH2+]1 ZINC000049666615 176178123 /nfs/dbraw/zinc/17/81/23/176178123.db2.gz YSOGIQDBJVRFQZ-CHWSQXEVSA-N 1 0 233.359 2.044 10 0 BEAERO C[C@@H]1CC[N@H+](Cc2ccoc2CN)[C@H](C)C1 ZINC000052510017 176178458 /nfs/dbraw/zinc/17/84/58/176178458.db2.gz BYRAVZDZCLJHLC-GHMZBOCLSA-N 1 0 222.332 2.359 10 0 BEAERO C[C@@H]1CCN([C@@H](C[NH3+])c2ccccc2F)C1 ZINC000044372456 176180549 /nfs/dbraw/zinc/18/05/49/176180549.db2.gz ROEIWNGZCARBDZ-MFKMUULPSA-N 1 0 222.307 2.167 10 0 BEAERO C[C@@H]1CCN(c2ccccc2F)CC[NH2+]1 ZINC000049661435 176182006 /nfs/dbraw/zinc/18/20/06/176182006.db2.gz JZFCHFZFMKSRBJ-SNVBAGLBSA-N 1 0 208.280 2.014 10 0 BEAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(C)(C)C ZINC000112697702 176196282 /nfs/dbraw/zinc/19/62/82/176196282.db2.gz WAOKBQYAGBDMQS-GHMZBOCLSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](CN(C)Cc2ccoc2)C1 ZINC000053876497 176228985 /nfs/dbraw/zinc/22/89/85/176228985.db2.gz HLHCFQPHHRRWTO-XBFCOCLRSA-N 1 0 236.359 2.475 10 0 BEAERO C[C@@H]1CC[C@H](O)[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000053883662 176235318 /nfs/dbraw/zinc/23/53/18/176235318.db2.gz DJJZUPHUSLLLNI-SNPRPXQTSA-N 1 0 248.370 2.311 10 0 BEAERO C[C@@H]1CN(C(=O)C2CCCCCCC2)C[C@@H]1[NH3+] ZINC000235322596 176243472 /nfs/dbraw/zinc/24/34/72/176243472.db2.gz YCYWEYJIPLIHPE-YPMHNXCESA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)C(C)(C)C ZINC000094339675 176246985 /nfs/dbraw/zinc/24/69/85/176246985.db2.gz QSYKXWWMVHIUMH-UTUOFQBUSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451416 176271868 /nfs/dbraw/zinc/27/18/68/176271868.db2.gz MKAOWBFJHXWFOY-NZYIEUEFSA-N 1 0 248.414 2.351 10 0 BEAERO C[C@H]1C[N@H+](CC(=O)c2ccccc2)C[C@H]1C ZINC000039109876 176284569 /nfs/dbraw/zinc/28/45/69/176284569.db2.gz GRSOHFFQZNBUTE-TXEJJXNPSA-N 1 0 217.312 2.457 10 0 BEAERO C[C@@H]1C[N@H+](CCC2(O)CC2)CC(C)(C)C1 ZINC000335714960 176285807 /nfs/dbraw/zinc/28/58/07/176285807.db2.gz HDGRHAXOGWBAEL-NSHDSACASA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2F)C(C)(C)C[NH2+]1 ZINC000062618150 176307234 /nfs/dbraw/zinc/30/72/34/176307234.db2.gz DIXVBWYAUUZTHV-LLVKDONJSA-N 1 0 236.334 2.398 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1CCc1ccccc1 ZINC000041260060 176324081 /nfs/dbraw/zinc/32/40/81/176324081.db2.gz GUPJHQVLSOBFPU-CYBMUJFWSA-N 1 0 232.371 2.301 10 0 BEAERO C[C@@H]1C[NH2+]CCN(c2c(F)cccc2F)C1 ZINC000049661852 176325291 /nfs/dbraw/zinc/32/52/91/176325291.db2.gz AFFWGIRLZBVGBB-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[C@@H]1C[NH2+]CCN(c2ccc(F)c(F)c2)C1 ZINC000049661453 176326063 /nfs/dbraw/zinc/32/60/63/176326063.db2.gz IXZZZYPTMZZMIL-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2cc(F)ccc2F)O1 ZINC000036986400 176328888 /nfs/dbraw/zinc/32/88/88/176328888.db2.gz OGCNUJJIONCYEV-HQJQHLMTSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc2c(cccc2F)n1C ZINC000104225391 176329252 /nfs/dbraw/zinc/32/92/52/176329252.db2.gz XBPQIQVDYRITLX-BDAKNGLRSA-N 1 0 233.290 2.035 10 0 BEAERO C[C@@H]1C[NH2+][C@H](c2cnc3ccccc3n2)C1 ZINC000003705228 176331122 /nfs/dbraw/zinc/33/11/22/176331122.db2.gz KVVVXHIYDLNGAJ-CABZTGNLSA-N 1 0 213.284 2.300 10 0 BEAERO C[C@@H]1COC[C@H](CCc2ccc(F)cc2)[NH2+]1 ZINC000071525010 176346879 /nfs/dbraw/zinc/34/68/79/176346879.db2.gz YEOPIIHSWQHSTP-MFKMUULPSA-N 1 0 223.291 2.135 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(CC[NH2+]C2CCCC2)C1 ZINC000037482401 176361023 /nfs/dbraw/zinc/36/10/23/176361023.db2.gz ZOFDBNNSTAHXMK-CHWSQXEVSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2cccnc2)C1 ZINC000019261410 176361231 /nfs/dbraw/zinc/36/12/31/176361231.db2.gz JPQSIQUAQMFLSO-BZPMIXESSA-N 1 0 233.359 2.059 10 0 BEAERO C[C@@H]1C[C@@H]1CN(C)c1nc2c(cc1C[NH3+])CCC2 ZINC000104417686 176391416 /nfs/dbraw/zinc/39/14/16/176391416.db2.gz PUJRZYVGBHXGLF-ZWNOBZJWSA-N 1 0 245.370 2.121 10 0 BEAERO C[C@@H]1C[C@@H]1CN(C)c1ccc(F)cc1CC[NH3+] ZINC000104409590 176391870 /nfs/dbraw/zinc/39/18/70/176391870.db2.gz TXZDNPUKYSUSPO-ZYHUDNBSSA-N 1 0 236.334 2.419 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000134746669 176404220 /nfs/dbraw/zinc/40/42/20/176404220.db2.gz COQVNNTWMXQORL-KOLCDFICSA-N 1 0 237.372 2.110 10 0 BEAERO C[C@@H]1Cc2ccccc2N1C[C@@H]1CCC[NH2+]1 ZINC000020072806 176451364 /nfs/dbraw/zinc/45/13/64/176451364.db2.gz PBXDKBXFUNSBME-YPMHNXCESA-N 1 0 216.328 2.190 10 0 BEAERO C[C@@](O)(c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000071525045 176520245 /nfs/dbraw/zinc/52/02/45/176520245.db2.gz DZIYJALDCSKUCW-DGCLKSJQSA-N 1 0 223.291 2.033 10 0 BEAERO C[C@@]1(CCc2ccc3c(c2)OCO3)CC[NH2+]C1 ZINC000051955364 176530456 /nfs/dbraw/zinc/53/04/56/176530456.db2.gz KAKOKLKCXMRJPQ-CQSZACIVSA-N 1 0 233.311 2.348 10 0 BEAERO C[C@H](CC(=O)N(C)C1CC[NH2+]CC1)C(C)(C)C ZINC000104445378 176598232 /nfs/dbraw/zinc/59/82/32/176598232.db2.gz HCPYVHJVAWFEIU-LLVKDONJSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@H](CC[NH3+])N(C)C(=O)C(C)(C)c1ccccc1 ZINC000063085746 176627054 /nfs/dbraw/zinc/62/70/54/176627054.db2.gz HEVWNSJWPRKDKJ-GFCCVEGCSA-N 1 0 248.370 2.160 10 0 BEAERO C[C@H](C[NH3+])Oc1ccc(F)c(Cl)c1 ZINC000053586485 176661813 /nfs/dbraw/zinc/66/18/13/176661813.db2.gz PTSOELPAPPPMJE-ZCFIWIBFSA-N 1 0 203.644 2.205 10 0 BEAERO C[C@H]([NH3+])[C@H](Sc1cnn(C)c1)C(C)(C)C ZINC000043297968 176771704 /nfs/dbraw/zinc/77/17/04/176771704.db2.gz TVGIHTDWSCUAMV-WPRPVWTQSA-N 1 0 227.377 2.274 10 0 BEAERO C[C@H]([NH3+])c1ccc(OC[C@H]2CCCO2)c(F)c1 ZINC000019873225 176776572 /nfs/dbraw/zinc/77/65/72/176776572.db2.gz HOPNKZPUDLOIKE-GXSJLCMTSA-N 1 0 239.290 2.403 10 0 BEAERO C[C@H]([NH2+]CCc1ccc(F)cc1)c1cc[nH]n1 ZINC000037906393 176853475 /nfs/dbraw/zinc/85/34/75/176853475.db2.gz IJSABYITSRQLIF-JTQLQIEISA-N 1 0 233.290 2.442 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)C1CC1 ZINC000037889593 176859649 /nfs/dbraw/zinc/85/96/49/176859649.db2.gz UXJOYWNNFANUFH-ISVAXAHUSA-N 1 0 241.281 2.386 10 0 BEAERO C[C@@H](Nc1ccncc1Br)[C@H](C)O ZINC000306525783 177004801 /nfs/dbraw/zinc/00/48/01/177004801.db2.gz RIRZVTHMASDRTG-RQJHMYQMSA-N 1 0 245.120 2.025 10 0 BEAERO C[C@H](O)c1ccc(N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061645486 177016994 /nfs/dbraw/zinc/01/69/94/177016994.db2.gz VLRDUDFDBWIHKH-SWLSCSKDSA-N 1 0 248.370 2.270 10 0 BEAERO C[C@H](O)c1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071189661 177017345 /nfs/dbraw/zinc/01/73/45/177017345.db2.gz RPIJBWPKHDAOBC-QWHCGFSZSA-N 1 0 248.370 2.128 10 0 BEAERO C[C@H](O)c1ccccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983826 177017855 /nfs/dbraw/zinc/01/78/55/177017855.db2.gz FSLWLEYLBOVHKS-NWDGAFQWSA-N 1 0 246.354 2.389 10 0 BEAERO C[C@H](OC(=O)C(C)(C)[NH3+])c1ccccc1 ZINC000048635946 177019528 /nfs/dbraw/zinc/01/95/28/177019528.db2.gz SQYOXDYWTUSEAM-VIFPVBQESA-N 1 0 207.273 2.028 10 0 BEAERO C[C@H](OCC1CC[NH2+]CC1)c1ccco1 ZINC000095068554 177020908 /nfs/dbraw/zinc/02/09/08/177020908.db2.gz KRLWUSWHKGWJAF-JTQLQIEISA-N 1 0 209.289 2.357 10 0 BEAERO C[C@H](OCC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068580 177020981 /nfs/dbraw/zinc/02/09/81/177020981.db2.gz HQABFCGXUNVVMG-RYUDHWBXSA-N 1 0 235.331 2.086 10 0 BEAERO C[C@H](OCCC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068666 177021232 /nfs/dbraw/zinc/02/12/32/177021232.db2.gz KYXOMBJKPUAZNJ-QWHCGFSZSA-N 1 0 249.358 2.334 10 0 BEAERO C[C@H](c1ccc(Cl)s1)N1CC[C@@H]([NH3+])C1=O ZINC000049649066 177033460 /nfs/dbraw/zinc/03/34/60/177033460.db2.gz ADKXGVQTJWMXLM-RNFRBKRXSA-N 1 0 244.747 2.022 10 0 BEAERO C[C@H](c1ccc(O)cc1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000104358651 177034996 /nfs/dbraw/zinc/03/49/96/177034996.db2.gz UPXGGXKMMGXPTI-DGCLKSJQSA-N 1 0 234.343 2.137 10 0 BEAERO C[C@H](c1ccccc1)[C@@H](CN)[NH+]1CCCC1 ZINC000040216768 177039725 /nfs/dbraw/zinc/03/97/25/177039725.db2.gz FBKDBTRGXLWNHD-TZMCWYRMSA-N 1 0 218.344 2.213 10 0 BEAERO C[C@H](c1ccco1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068173 177047060 /nfs/dbraw/zinc/04/70/60/177047060.db2.gz IGMYQWBHGLYEMF-MNOVXSKESA-N 1 0 208.305 2.024 10 0 BEAERO C[C@H](c1ccco1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000095068213 177047725 /nfs/dbraw/zinc/04/77/25/177047725.db2.gz VBDXWUJIMHAZMP-MNOVXSKESA-N 1 0 208.305 2.024 10 0 BEAERO C[C@H](c1ccco1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000082499116 177048142 /nfs/dbraw/zinc/04/81/42/177048142.db2.gz IGMYQWBHGLYEMF-GHMZBOCLSA-N 1 0 208.305 2.024 10 0 BEAERO C[C@H](c1ccco1)[NH+]1CCC(CO)CC1 ZINC000074154844 177048450 /nfs/dbraw/zinc/04/84/50/177048450.db2.gz KWFUASMUGDQTFW-SNVBAGLBSA-N 1 0 209.289 2.045 10 0 BEAERO C[C@H](c1cccs1)[NH+]1CCC([NH3+])CC1 ZINC000026513917 177048951 /nfs/dbraw/zinc/04/89/51/177048951.db2.gz RRRDXJWBSOLIDD-SECBINFHSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCc1nnc[nH]1 ZINC000120034674 177063646 /nfs/dbraw/zinc/06/36/46/177063646.db2.gz ZDOQLTHXWWACSR-WDEREUQCSA-N 1 0 236.363 2.152 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]C2CC2)C1 ZINC000038124143 177063688 /nfs/dbraw/zinc/06/36/88/177063688.db2.gz ORSBLDBYZHBNNM-GWCFXTLKSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]1CCCC[C@@H]1N(C)c1cc(C(N)=[NH2+])ccn1 ZINC000042607910 177081330 /nfs/dbraw/zinc/08/13/30/177081330.db2.gz IZTSQNGURFDSLD-JQWIXIFHSA-N 1 0 246.358 2.381 10 0 BEAERO C[C@H]1CCCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000037623151 177082269 /nfs/dbraw/zinc/08/22/69/177082269.db2.gz IESZVLHJESFRLI-WTIISPKJSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C ZINC000034937813 177083749 /nfs/dbraw/zinc/08/37/49/177083749.db2.gz CSUDAPHSSUXYJZ-QWRGUYRKSA-N 1 0 207.321 2.088 10 0 BEAERO C[C@H]1CCCC[C@@]1([NH2+]C1CCCCC1)C(N)=O ZINC000037969653 177085496 /nfs/dbraw/zinc/08/54/96/177085496.db2.gz CDEBYQLQZCLGQR-FZMZJTMJSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@H]1CCCC[C@H]1N(C)C(=O)C(C)(C)C[NH3+] ZINC000044752263 177086200 /nfs/dbraw/zinc/08/62/00/177086200.db2.gz MFCWJPYFGHLZTP-WDEREUQCSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+]CC(=O)N(C)C1CC1 ZINC000042860970 177086263 /nfs/dbraw/zinc/08/62/63/177086263.db2.gz KAYMWPIQIVKFEZ-RYUDHWBXSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CCCC1 ZINC000037388761 177087827 /nfs/dbraw/zinc/08/78/27/177087827.db2.gz RSCDHOLASDWMMI-WCQYABFASA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1cccnc1 ZINC000036770989 177090147 /nfs/dbraw/zinc/09/01/47/177090147.db2.gz SOCLIGCQEAXWNE-DZGCQCFKSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCCC[C@]1(CN)[NH+]1CCCCC1 ZINC000019433576 177090758 /nfs/dbraw/zinc/09/07/58/177090758.db2.gz LDOGNOHBLQMZDL-QWHCGFSZSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055087963 177093993 /nfs/dbraw/zinc/09/39/93/177093993.db2.gz GIFONGJAUGQAPI-LOWDOPEQSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@@H](CN)c2cccs2)C1 ZINC000022213927 177103421 /nfs/dbraw/zinc/10/34/21/177103421.db2.gz CIMDKKWFQPJLLL-QWRGUYRKSA-N 1 0 224.373 2.480 10 0 BEAERO C[C@H]1CCC[N@@H+]1CCc1ccccc1N ZINC000052918413 177108653 /nfs/dbraw/zinc/10/86/53/177108653.db2.gz TWGNBQVWFOSPNS-NSHDSACASA-N 1 0 204.317 2.296 10 0 BEAERO C[C@H]1CCC[N@@H+]1C[C@@](C)(CO)c1ccccc1 ZINC000051291330 177108977 /nfs/dbraw/zinc/10/89/77/177108977.db2.gz URHZKDJLIHBINM-ZFWWWQNUSA-N 1 0 233.355 2.421 10 0 BEAERO C[C@H]1CCCN1[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037910220 177111864 /nfs/dbraw/zinc/11/18/64/177111864.db2.gz LSAZRZVADYMZJG-ZANVPECISA-N 1 0 240.297 2.449 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2)[NH2+]1 ZINC000019479801 177112851 /nfs/dbraw/zinc/11/28/51/177112851.db2.gz ULIPTJZIMZIANI-JSGCOSHPSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@H]1CCC[C@@H](NC(=O)C[NH2+]C2CCCC2)C1 ZINC000037626149 177121234 /nfs/dbraw/zinc/12/12/34/177121234.db2.gz NAYACDWQXOXICJ-WCQYABFASA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CCC[C@@H](c2nccc(C[NH3+])n2)C1 ZINC000054791066 177123449 /nfs/dbraw/zinc/12/34/49/177123449.db2.gz MJOUPGHWWBAVRX-VHSXEESVSA-N 1 0 205.305 2.229 10 0 BEAERO C[C@H]1CCC[C@@](CO)([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000053117243 177127404 /nfs/dbraw/zinc/12/74/04/177127404.db2.gz CIHNNBLTFGIWTR-MELADBBJSA-N 1 0 239.359 2.210 10 0 BEAERO C[C@@H]1CN([C@]2(C[NH3+])CCC[C@H](C)C2)C[C@H](C)O1 ZINC000019430730 177127440 /nfs/dbraw/zinc/12/74/40/177127440.db2.gz STCRXWMGPHTPHX-IGQOVBAYSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2cscn2)C1 ZINC000053117428 177127950 /nfs/dbraw/zinc/12/79/50/177127950.db2.gz CICZHGLUYNPLFD-CMPLNLGQSA-N 1 0 240.372 2.174 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)Nc2ccccc2F)[NH2+]1 ZINC000019509175 177129441 /nfs/dbraw/zinc/12/94/41/177129441.db2.gz NPZYWUWVHUZOLS-JOYOIKCWSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000094647063 177131444 /nfs/dbraw/zinc/13/14/44/177131444.db2.gz GCCMXYSKMGWNHA-WUHRBBMRSA-N 1 0 238.375 2.164 10 0 BEAERO C[C@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000042494800 177134010 /nfs/dbraw/zinc/13/40/10/177134010.db2.gz JGQIHFIGCBPGOF-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1csnn1 ZINC000036901960 177137425 /nfs/dbraw/zinc/13/74/25/177137425.db2.gz VCTUKORKCFBIDB-NGZCFLSTSA-N 1 0 225.361 2.452 10 0 BEAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)c2ccccc2)C1 ZINC000104322338 177143567 /nfs/dbraw/zinc/14/35/67/177143567.db2.gz NHNVYOYYGKTZON-WFASDCNBSA-N 1 0 246.354 2.324 10 0 BEAERO C[C@H]1CC[N@@H+](C2CCCCCC2)CCN1 ZINC000049661878 177157754 /nfs/dbraw/zinc/15/77/54/177157754.db2.gz WGEUOLJARQZQQD-LBPRGKRZSA-N 1 0 210.365 2.393 10 0 BEAERO C[C@H]1CC[N@H+](CCNc2ccccc2)C1 ZINC000040725367 177160318 /nfs/dbraw/zinc/16/03/18/177160318.db2.gz BJICTFMWDFQSET-LBPRGKRZSA-N 1 0 204.317 2.440 10 0 BEAERO C[C@H]1CCN(Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000235667207 177163080 /nfs/dbraw/zinc/16/30/80/177163080.db2.gz GWTNWVVODVGPJG-SMDDNHRTSA-N 1 0 236.334 2.385 10 0 BEAERO C[C@H]1CCN(Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000229324421 177164743 /nfs/dbraw/zinc/16/47/43/177164743.db2.gz MRPBFWSFSJAPRS-GXTWGEPZSA-N 1 0 218.344 2.246 10 0 BEAERO C[C@H]1CCN(Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000235612966 177164915 /nfs/dbraw/zinc/16/49/15/177164915.db2.gz PSQDEERQIOFTLM-WDEREUQCSA-N 1 0 224.373 2.307 10 0 BEAERO C[C@H]1CCN(Cc2ccccc2F)CC[NH2+]1 ZINC000049661417 177165692 /nfs/dbraw/zinc/16/56/92/177165692.db2.gz KLKNALFALUEODU-NSHDSACASA-N 1 0 222.307 2.010 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)N(C)C2CCCCC2)C[NH2+]1 ZINC000019484069 177179800 /nfs/dbraw/zinc/17/98/00/177179800.db2.gz YLMNBEHFAMEHNG-NWDGAFQWSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1CC[C@@H](CNC(=O)C2CCCCC2)C[NH2+]1 ZINC000062036584 177188889 /nfs/dbraw/zinc/18/88/89/177188889.db2.gz KAFFHHAJEPGRCD-NWDGAFQWSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[C@@H](CNC(=O)CC2CCCC2)C[NH2+]1 ZINC000062036652 177189679 /nfs/dbraw/zinc/18/96/79/177189679.db2.gz IQCPMKOYZNFRQF-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[C@@H]([NH3+])CN1CCc1ccccc1 ZINC000040740168 177191312 /nfs/dbraw/zinc/19/13/12/177191312.db2.gz MVOVJUUIDPNHMW-GXTWGEPZSA-N 1 0 218.344 2.041 10 0 BEAERO C[C@H]1CC[C@H](C(=O)N(C)CC(C)(C)C)C[C@@H]1[NH3+] ZINC000055140749 177196291 /nfs/dbraw/zinc/19/62/91/177196291.db2.gz AVOKLOKYADMRQM-SRVKXCTJSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@H]1CCc2cc3c(cc2[C@@H]([NH3+])C1)OCCO3 ZINC000061831646 177209567 /nfs/dbraw/zinc/20/95/67/177209567.db2.gz JEJXMFBDOSXIQF-CABZTGNLSA-N 1 0 233.311 2.430 10 0 BEAERO C[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)C(C)(C)C1 ZINC000334552998 177215576 /nfs/dbraw/zinc/21/55/76/177215576.db2.gz JJSJRRGYBXCEPZ-VXGBXAGGSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)CCN1 ZINC000083361656 177240134 /nfs/dbraw/zinc/24/01/34/177240134.db2.gz WRJFRQFQMVXGAM-DYQPHDICSA-N 1 0 234.387 2.249 10 0 BEAERO C[C@H]1CN(C2(C[NH3+])CCCCCCC2)CCO1 ZINC000019437576 177240389 /nfs/dbraw/zinc/24/03/89/177240389.db2.gz NLTHMPGYQRCJKV-ZDUSSCGKSA-N 1 0 240.391 2.149 10 0 BEAERO C[C@H]1C[N@H+](C2CCCCC2)C(C)(C)CN1 ZINC000062570346 177242221 /nfs/dbraw/zinc/24/22/21/177242221.db2.gz QBUZAVWNLBPPHB-NSHDSACASA-N 1 0 210.365 2.391 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H]2Cc3ccccc32)CCC1=O ZINC000090992917 177258088 /nfs/dbraw/zinc/25/80/88/177258088.db2.gz SNAVTYDAIZRQPY-AAEUAGOBSA-N 1 0 229.323 2.237 10 0 BEAERO C[C@H]1CN(C[C@H]([NH3+])c2ccccc2)CC(C)(C)O1 ZINC000045685363 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C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC000309833017 177394401 /nfs/dbraw/zinc/39/44/01/177394401.db2.gz ZDFMFUSBQGGSCV-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@]1(CCc2ccc3c(c2)OCO3)CC[NH2+]C1 ZINC000051955362 177459620 /nfs/dbraw/zinc/45/96/20/177459620.db2.gz KAKOKLKCXMRJPQ-AWEZNQCLSA-N 1 0 233.311 2.348 10 0 BEAERO Cc1cc(C)cc(Cn2cc(C(C)(C)[NH3+])nn2)c1 ZINC000070118725 487639201 /nfs/dbraw/zinc/63/92/01/487639201.db2.gz QPOXRMVIPJYAIW-UHFFFAOYSA-N 1 0 244.342 2.137 10 0 BEAERO C[C@H](NCc1cc(F)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000400353148 225058053 /nfs/dbraw/zinc/05/80/53/225058053.db2.gz NNVFIACMRNNBEM-VHSXEESVSA-N 1 0 240.297 2.052 10 0 BEAERO C[C@H](C[NH3+])N(C)C[C@H]1CCCCC1(F)F ZINC000322372955 487643243 /nfs/dbraw/zinc/64/32/43/487643243.db2.gz BADGURUPSTXRLK-NXEZZACHSA-N 1 0 220.307 2.091 10 0 BEAERO CCOc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401571642 226359530 /nfs/dbraw/zinc/35/95/30/226359530.db2.gz FLYRIEMIXZZYBR-OCCSQVGLSA-N 1 0 249.354 2.288 10 0 BEAERO 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223.360 2.316 10 0 BEAERO C[C@H](CO)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000120764957 490068847 /nfs/dbraw/zinc/06/88/47/490068847.db2.gz HDAOWXBDVBECQY-WDEREUQCSA-N 1 0 240.372 2.299 10 0 BEAERO CC1(C)CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226287722 487706925 /nfs/dbraw/zinc/70/69/25/487706925.db2.gz CGKHMXAMNLEKAN-VXGBXAGGSA-N 1 0 211.349 2.412 10 0 BEAERO COc1cc(C)ccc1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400388624 533686812 /nfs/dbraw/zinc/68/68/12/533686812.db2.gz MMTYWTGPSCHBME-NEPJUHHUSA-N 1 0 234.343 2.414 10 0 BEAERO CC[C@@H](C)C[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000088300152 487719731 /nfs/dbraw/zinc/71/97/31/487719731.db2.gz STCUAUOYIQIBRQ-OKZRHMCRSA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(F)cc1F ZINC000136302540 487723538 /nfs/dbraw/zinc/72/35/38/487723538.db2.gz IVIDZCDOGLGLMB-SNVBAGLBSA-N 1 0 242.269 2.277 10 0 BEAERO CC[C@@H]1CCC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000136473231 487737216 /nfs/dbraw/zinc/73/72/16/487737216.db2.gz WOQIFUMCLMMOFU-AGIUHOORSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H]1CC[C@H](C)CN1C(=O)C1CCC([NH3+])CC1 ZINC000088705221 487745964 /nfs/dbraw/zinc/74/59/64/487745964.db2.gz JVONRQSVTBUSDC-ZFDZMSFRSA-N 1 0 238.375 2.151 10 0 BEAERO CN(CC1CCCCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000042491769 487752260 /nfs/dbraw/zinc/75/22/60/487752260.db2.gz PZAJJLINRMCPEP-JTQLQIEISA-N 1 0 238.297 2.388 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251504504 487760863 /nfs/dbraw/zinc/76/08/63/487760863.db2.gz DZLSMHGYUNZBHC-RVMXOQNASA-N 1 0 238.375 2.151 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncnc2ccccc21 ZINC000089092392 487762067 /nfs/dbraw/zinc/76/20/67/487762067.db2.gz GUFUQMWWNADRBT-CMPLNLGQSA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncnc2ccccc21 ZINC000089092393 487761895 /nfs/dbraw/zinc/76/18/95/487761895.db2.gz GUFUQMWWNADRBT-JQWIXIFHSA-N 1 0 242.326 2.169 10 0 BEAERO CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]C2CC2)cn1 ZINC000234234461 487779382 /nfs/dbraw/zinc/77/93/82/487779382.db2.gz MNIIDRCIMVWISW-SMDDNHRTSA-N 1 0 249.358 2.123 10 0 BEAERO C[C@@H]1CCSCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000385403751 487785001 /nfs/dbraw/zinc/78/50/01/487785001.db2.gz OJWFUNCPPUXJPP-FRRDWIJNSA-N 1 0 243.416 2.365 10 0 BEAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000251896066 487805770 /nfs/dbraw/zinc/80/57/70/487805770.db2.gz SEGNOCDIAXZIAC-VOAKCMCISA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@H]1CN(c2nc3ccccc3o2)CC[C@H]1[NH3+] ZINC000251922147 487807944 /nfs/dbraw/zinc/80/79/44/487807944.db2.gz YOPVQPKSZDFJPS-WDEREUQCSA-N 1 0 245.326 2.391 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccco2)no1 ZINC000089431211 487814586 /nfs/dbraw/zinc/81/45/86/487814586.db2.gz XPOHEUHWTIPPJJ-IUCAKERBSA-N 1 0 233.271 2.172 10 0 BEAERO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000089449422 487816400 /nfs/dbraw/zinc/81/64/00/487816400.db2.gz ZIRWPLYJXILNMT-AAEUAGOBSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000252107115 487816055 /nfs/dbraw/zinc/81/60/55/487816055.db2.gz HEUJRHWINFYUQD-IJLUTSLNSA-N 1 0 226.364 2.149 10 0 BEAERO COc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089449751 487817129 /nfs/dbraw/zinc/81/71/29/487817129.db2.gz MKZCLNCHXQCSQW-GXFFZTMASA-N 1 0 248.326 2.009 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089451023 487818330 /nfs/dbraw/zinc/81/83/30/487818330.db2.gz CMJJXNSORNDDOW-UPJWGTAASA-N 1 0 238.375 2.010 10 0 BEAERO CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089449313 487818349 /nfs/dbraw/zinc/81/83/49/487818349.db2.gz QVAIMCSSYOEEHZ-KGLIPLIRSA-N 1 0 246.354 2.020 10 0 BEAERO CC1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000089462721 487823248 /nfs/dbraw/zinc/82/32/48/487823248.db2.gz VUCGABPLIGIIGT-RYUDHWBXSA-N 1 0 238.375 2.058 10 0 BEAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089461933 487823848 /nfs/dbraw/zinc/82/38/48/487823848.db2.gz PKWFAXRVSIEGOW-VXGBXAGGSA-N 1 0 238.375 2.010 10 0 BEAERO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234935 487825204 /nfs/dbraw/zinc/82/52/04/487825204.db2.gz UYZRJFRFKOCAIN-SMDDNHRTSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCOc3ccccc32)C1 ZINC000401795095 487832068 /nfs/dbraw/zinc/83/20/68/487832068.db2.gz YHIPBHHSVYZHFQ-OUCADQQQSA-N 1 0 246.354 2.098 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000676391209 487842784 /nfs/dbraw/zinc/84/27/84/487842784.db2.gz SLXFOKKDPWFABJ-VIFPVBQESA-N 1 0 233.302 2.125 10 0 BEAERO CC(C)C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000108325889 487873665 /nfs/dbraw/zinc/87/36/65/487873665.db2.gz FCIQDCXIODYFFI-CHWSQXEVSA-N 1 0 211.349 2.268 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCNC2=O)c1 ZINC000395811076 487875199 /nfs/dbraw/zinc/87/51/99/487875199.db2.gz LBXVSPXKZWKPHL-CHWSQXEVSA-N 1 0 246.354 2.172 10 0 BEAERO COC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000395988109 487888615 /nfs/dbraw/zinc/88/86/15/487888615.db2.gz DIHARLXSMYOJFP-MELADBBJSA-N 1 0 241.375 2.038 10 0 BEAERO COC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000395988112 487889103 /nfs/dbraw/zinc/88/91/03/487889103.db2.gz DIHARLXSMYOJFP-RDBSUJKOSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1nc(NC[C@H]2CCCC[NH2+]2)sc1C ZINC000083533067 487918640 /nfs/dbraw/zinc/91/86/40/487918640.db2.gz HLSUWALTEQIGAH-SNVBAGLBSA-N 1 0 225.361 2.314 10 0 BEAERO CC(C)c1nsc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000083670161 487926439 /nfs/dbraw/zinc/92/64/39/487926439.db2.gz MUJATQUGRZPAFO-VIFPVBQESA-N 1 0 240.376 2.216 10 0 BEAERO CCCC(CCC)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000211771821 487939782 /nfs/dbraw/zinc/93/97/82/487939782.db2.gz RJFPAYBFRJDHLY-QWHCGFSZSA-N 1 0 240.391 2.446 10 0 BEAERO Cc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c(Cl)c1 ZINC000235355050 487944589 /nfs/dbraw/zinc/94/45/89/487944589.db2.gz ZCLMLIGHZHZRPU-MFKMUULPSA-N 1 0 238.762 2.427 10 0 BEAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)C(C)C ZINC000083862881 487953171 /nfs/dbraw/zinc/95/31/71/487953171.db2.gz OEFGTKCDLGDPOJ-NEPJUHHUSA-N 1 0 228.380 2.158 10 0 BEAERO Cc1ccoc1CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562957085 323035078 /nfs/dbraw/zinc/03/50/78/323035078.db2.gz UAYVBEQDKOTYBZ-RYUDHWBXSA-N 1 0 222.332 2.066 10 0 BEAERO COCC[C@@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000155211947 323060842 /nfs/dbraw/zinc/06/08/42/323060842.db2.gz QHKZCZALWSINET-ZIAGYGMSSA-N 1 0 242.407 2.121 10 0 BEAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160258150 323064503 /nfs/dbraw/zinc/06/45/03/323064503.db2.gz LDHROYVLZUBXTE-NEPJUHHUSA-N 1 0 235.327 2.455 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1ncc(Cl)cc1F ZINC000165726168 323069447 /nfs/dbraw/zinc/06/94/47/323069447.db2.gz UIZMVSHXBQAJRC-BQBZGAKWSA-N 1 0 231.702 2.412 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@@H](C)C1CCCC1 ZINC000184640041 323090901 /nfs/dbraw/zinc/09/09/01/323090901.db2.gz RDIFNSJIQNQWDO-JTQLQIEISA-N 1 0 236.363 2.275 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC(O)C1 ZINC000235299371 323146638 /nfs/dbraw/zinc/14/66/38/323146638.db2.gz FIWKEODOPKQLSL-HBIQZDMRSA-N 1 0 211.349 2.172 10 0 BEAERO OC1CC(C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000304473367 323164636 /nfs/dbraw/zinc/16/46/36/323164636.db2.gz GABWIDPVNAAMAA-UHFFFAOYSA-N 1 0 223.360 2.316 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC1(C2CC2)CC1 ZINC000308797749 323178183 /nfs/dbraw/zinc/17/81/83/323178183.db2.gz LEACRWTWWCZGOH-LLVKDONJSA-N 1 0 211.349 2.173 10 0 BEAERO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)C(C)(C)C ZINC000114475271 323194314 /nfs/dbraw/zinc/19/43/14/323194314.db2.gz RDYHZOOIEVIGBA-LLVKDONJSA-N 1 0 240.391 2.460 10 0 BEAERO Cc1ccccc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399307364 323203307 /nfs/dbraw/zinc/20/33/07/323203307.db2.gz ZRTAQJLLHUCMIW-GXTWGEPZSA-N 1 0 219.328 2.340 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000227504084 487962034 /nfs/dbraw/zinc/96/20/34/487962034.db2.gz JTOHFWFQBVOXBU-YNEHKIRRSA-N 1 0 244.448 2.446 10 0 BEAERO Fc1ccc2cc([C@H]3CC[NH2+]C3)[nH]c2c1 ZINC000082927878 323940093 /nfs/dbraw/zinc/94/00/93/323940093.db2.gz NCKCTUHFEYMIGH-VIFPVBQESA-N 1 0 204.248 2.384 10 0 BEAERO c1nn(Cc2ccccc2)cc1C[C@@H]1CCC[NH2+]1 ZINC000258258133 323947809 /nfs/dbraw/zinc/94/78/09/323947809.db2.gz BHTQTYQFFBDSPT-HNNXBMFYSA-N 1 0 241.338 2.226 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000122572897 324049626 /nfs/dbraw/zinc/04/96/26/324049626.db2.gz PHYAQJACZFOLKE-IJLUTSLNSA-N 1 0 229.389 2.143 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000123963419 324607069 /nfs/dbraw/zinc/60/70/69/324607069.db2.gz QAGKQRWNIBVQLS-CYBMUJFWSA-N 1 0 221.348 2.216 10 0 BEAERO CCOC[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132068762 325196702 /nfs/dbraw/zinc/19/67/02/325196702.db2.gz SEDYFUOBIWWWDQ-LEWSCRJBSA-N 1 0 234.343 2.146 10 0 BEAERO C[C@@H](CCn1cccn1)[NH2+]CC1(C)CCC1 ZINC000134637903 325369096 /nfs/dbraw/zinc/36/90/96/325369096.db2.gz WNKMVLVSXMNTSZ-LBPRGKRZSA-N 1 0 221.348 2.442 10 0 BEAERO Cc1nnc(C[NH2+][C@H](C(C)C)C2CC2)s1 ZINC000134721584 325373394 /nfs/dbraw/zinc/37/33/94/325373394.db2.gz GTNJOLOUFIEFRF-LLVKDONJSA-N 1 0 225.361 2.371 10 0 BEAERO C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@H](C)CO ZINC000134980359 325386464 /nfs/dbraw/zinc/38/64/64/325386464.db2.gz UHKNTOSVTQQDNW-VXGBXAGGSA-N 1 0 244.338 2.341 10 0 BEAERO Cc1cc(C)c(C[NH2+]CC2CC(O)C2)cc1C ZINC000091524302 325687350 /nfs/dbraw/zinc/68/73/50/325687350.db2.gz NNLJRBOCLXARNI-UHFFFAOYSA-N 1 0 233.355 2.472 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCCNC1=O)C1CCCCC1 ZINC000310389217 487969288 /nfs/dbraw/zinc/96/92/88/487969288.db2.gz FRQJWKFNKJSLSU-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO C[N@@H+]1Cc2ccc(NCC3(O)CCCC3)cc2C1 ZINC000566851253 326087664 /nfs/dbraw/zinc/08/76/64/326087664.db2.gz RRDXGXGPARMVDT-UHFFFAOYSA-N 1 0 246.354 2.349 10 0 BEAERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nc1 ZINC000154738131 326162716 /nfs/dbraw/zinc/16/27/16/326162716.db2.gz WVDJJSFDBVCGBO-ZFWWWQNUSA-N 1 0 245.370 2.059 10 0 BEAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCC(N)=O ZINC000156730435 326241162 /nfs/dbraw/zinc/24/11/62/326241162.db2.gz WJVMUKKCZALLNA-CQSZACIVSA-N 1 0 246.354 2.165 10 0 BEAERO COc1c(C[NH+]2CCCCCC2)c(C)nn1C ZINC000157379589 326271754 /nfs/dbraw/zinc/27/17/54/326271754.db2.gz KZBOZBHOUVGGKJ-UHFFFAOYSA-N 1 0 237.347 2.113 10 0 BEAERO C[C@@H]1CC[C@H](c2nc(C3([NH3+])CCCC3)no2)O1 ZINC000158527516 326326547 /nfs/dbraw/zinc/32/65/47/326326547.db2.gz YQHRLNUUOHMWOX-RKDXNWHRSA-N 1 0 237.303 2.038 10 0 BEAERO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2O)o1 ZINC000568257782 326336381 /nfs/dbraw/zinc/33/63/81/326336381.db2.gz XOGSIIJDAACFAR-CHWSQXEVSA-N 1 0 223.316 2.024 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000134389973 487981446 /nfs/dbraw/zinc/98/14/46/487981446.db2.gz GFHDWMGQJLHKER-FMKGYKFTSA-N 1 0 217.312 2.310 10 0 BEAERO C[C@H](Cc1ccsc1)N[C@H]1CCC[NH2+][C@H]1C ZINC000396689663 487995669 /nfs/dbraw/zinc/99/56/69/487995669.db2.gz ZYTZRHSZOZFCGJ-MDZLAQPJSA-N 1 0 238.400 2.409 10 0 BEAERO CC[C@@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1 ZINC000084185900 488035690 /nfs/dbraw/zinc/03/56/90/488035690.db2.gz PYYBYQWWUJHWIW-GFCCVEGCSA-N 1 0 234.343 2.381 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CCc3ccccc32)c1 ZINC000123950412 488078303 /nfs/dbraw/zinc/07/83/03/488078303.db2.gz DJSGGNSFTVGFSG-HNNXBMFYSA-N 1 0 241.338 2.469 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1 ZINC000136291482 488092740 /nfs/dbraw/zinc/09/27/40/488092740.db2.gz WEPIKOLEIQQTDL-WCQYABFASA-N 1 0 234.343 2.237 10 0 BEAERO Cc1ccc(F)c(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136308439 488094007 /nfs/dbraw/zinc/09/40/07/488094007.db2.gz LEIQMTFOWNHTLK-LLVKDONJSA-N 1 0 238.306 2.446 10 0 BEAERO CCN(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136309020 488094165 /nfs/dbraw/zinc/09/41/65/488094165.db2.gz ULTGHQIDAVNMJQ-CQSZACIVSA-N 1 0 248.370 2.409 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000228478491 488096869 /nfs/dbraw/zinc/09/68/69/488096869.db2.gz WDVLVBWIXCFQLO-XQQFMLRXSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000136386668 488101656 /nfs/dbraw/zinc/10/16/56/488101656.db2.gz ONYHYURMADYPNZ-CYBMUJFWSA-N 1 0 240.391 2.397 10 0 BEAERO CCC1(C)CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136459726 488102325 /nfs/dbraw/zinc/10/23/25/488102325.db2.gz MNJYZSSWUPVAMX-GFCCVEGCSA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)C1CCCCC1 ZINC000136451491 488103470 /nfs/dbraw/zinc/10/34/70/488103470.db2.gz RGYVHQSKLFOWPB-WCQYABFASA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C1CCC(C)CC1 ZINC000148559577 488104063 /nfs/dbraw/zinc/10/40/63/488104063.db2.gz QVNNKMMFQSPTMD-BPCQOVAHSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC1CCC(C)(C)CC1 ZINC000136470795 488104313 /nfs/dbraw/zinc/10/43/13/488104313.db2.gz AQVOFOJPDQUVMD-LBPRGKRZSA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136469837 488104929 /nfs/dbraw/zinc/10/49/29/488104929.db2.gz LSEZKZRBIXGCCU-CHWSQXEVSA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCCC1(C)C ZINC000136487846 488105739 /nfs/dbraw/zinc/10/57/39/488105739.db2.gz HIOOGSQKWINQRR-NWDGAFQWSA-N 1 0 240.391 2.445 10 0 BEAERO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000403234099 488118841 /nfs/dbraw/zinc/11/88/41/488118841.db2.gz PFCZNQLPEYXRTH-APIJFGDWSA-N 1 0 234.387 2.203 10 0 BEAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403626929 488129010 /nfs/dbraw/zinc/12/90/10/488129010.db2.gz MBWGWQBJLILPAD-DGAVXFQQSA-N 1 0 223.360 2.127 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000382341783 487540414 /nfs/dbraw/zinc/54/04/14/487540414.db2.gz CKCBVRBLKUKZRD-KVSVUVNWSA-N 1 0 209.333 2.068 10 0 BEAERO C[C@@H](CCCCO)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000684963519 487476050 /nfs/dbraw/zinc/47/60/50/487476050.db2.gz SFSQLUUVDIOQIO-FQUUOJAGSA-N 1 0 243.391 2.331 10 0 BEAERO C(C[C@H]1CCCO1)[NH2+][C@@H]1CCCSC1 ZINC000061588884 487477099 /nfs/dbraw/zinc/47/70/99/487477099.db2.gz LFFCNXFVDXYEDH-GHMZBOCLSA-N 1 0 215.362 2.041 10 0 BEAERO CCCOc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000380607920 487480966 /nfs/dbraw/zinc/48/09/66/487480966.db2.gz JFMXPWBBAOLNJY-SWLSCSKDSA-N 1 0 248.370 2.397 10 0 BEAERO O[C@@H](C[NH2+]CC[C@@H]1CCCO1)CC1CCCC1 ZINC000232129555 487516031 /nfs/dbraw/zinc/51/60/31/487516031.db2.gz GSTWACNMNIGETI-KGLIPLIRSA-N 1 0 241.375 2.086 10 0 BEAERO CC(C)[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000324100868 487521006 /nfs/dbraw/zinc/52/10/06/487521006.db2.gz JMCGNYFPWGSBIW-OCCSQVGLSA-N 1 0 238.375 2.069 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000381706756 487521015 /nfs/dbraw/zinc/52/10/15/487521015.db2.gz JMRVHPFGYYEIFG-YNEHKIRRSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@H](C[NH2+]C1CC(CO)C1)c1ccccc1 ZINC000668779053 487524931 /nfs/dbraw/zinc/52/49/31/487524931.db2.gz FUFNUKSRRXFVQD-LKSINWNRSA-N 1 0 219.328 2.151 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000308882147 487572215 /nfs/dbraw/zinc/57/22/15/487572215.db2.gz QQLFYTWZYCGSLJ-QJPTWQEYSA-N 1 0 209.333 2.212 10 0 BEAERO CCC(CC)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000053486305 487611106 /nfs/dbraw/zinc/61/11/06/487611106.db2.gz PDAUGEAIHINIBJ-UPJWGTAASA-N 1 0 242.407 2.262 10 0 BEAERO c1ccc2c(c1)CC[C@H]2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000682069211 487890970 /nfs/dbraw/zinc/89/09/70/487890970.db2.gz DAUJWGDYZJDCES-GDBMZVCRSA-N 1 0 242.366 2.454 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000229602385 487930471 /nfs/dbraw/zinc/93/04/71/487930471.db2.gz STTGRULAUVENMC-NEPJUHHUSA-N 1 0 248.374 2.461 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000229602375 487930577 /nfs/dbraw/zinc/93/05/77/487930577.db2.gz STTGRULAUVENMC-VXGBXAGGSA-N 1 0 248.374 2.461 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H](C)CO1 ZINC000403857805 488140443 /nfs/dbraw/zinc/14/04/43/488140443.db2.gz VGJUOIJGDHQAMF-AAVRWANBSA-N 1 0 241.375 2.037 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667882161 488146564 /nfs/dbraw/zinc/14/65/64/488146564.db2.gz MWLOUZRXJUBOKC-MROQNXINSA-N 1 0 209.333 2.332 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000657877112 488158814 /nfs/dbraw/zinc/15/88/14/488158814.db2.gz FCTFPALYYWFOCG-MNOVXSKESA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)C[NH2+]C(C)C ZINC000134360107 488167046 /nfs/dbraw/zinc/16/70/46/488167046.db2.gz YMQWQSQKQYZOIV-LBPRGKRZSA-N 1 0 226.364 2.166 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000322396273 488184333 /nfs/dbraw/zinc/18/43/33/488184333.db2.gz QHCOGVCCVGYUEI-XQQFMLRXSA-N 1 0 211.349 2.458 10 0 BEAERO CC[C@H](C)N(CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290741 488237561 /nfs/dbraw/zinc/23/75/61/488237561.db2.gz OEFMQFVOHCBHLP-RYUDHWBXSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccsc1 ZINC000119403559 490048388 /nfs/dbraw/zinc/04/83/88/490048388.db2.gz LIIWBTGSXTXFGQ-LLVKDONJSA-N 1 0 213.346 2.341 10 0 BEAERO C[C@@H]1[N@H+](C[C@H]2CCC[C@H](O)C2)CCOC1(C)C ZINC000660006577 490131882 /nfs/dbraw/zinc/13/18/82/490131882.db2.gz PQHBMTYDKABBBZ-AVGNSLFASA-N 1 0 241.375 2.037 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000037163969 490146112 /nfs/dbraw/zinc/14/61/12/490146112.db2.gz QYCFDFKNLCAOQB-RYUDHWBXSA-N 1 0 241.281 2.358 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2ccccc2)no1 ZINC000109496888 490161355 /nfs/dbraw/zinc/16/13/55/490161355.db2.gz YOVSQJPNNXUFCD-LBPRGKRZSA-N 1 0 245.326 2.186 10 0 BEAERO CC(C)C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000046061114 490163368 /nfs/dbraw/zinc/16/33/68/490163368.db2.gz FZPCUSCZJOCJFQ-CYBMUJFWSA-N 1 0 243.391 2.283 10 0 BEAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cncnc2)C1(C)C ZINC000129949465 490183633 /nfs/dbraw/zinc/18/36/33/490183633.db2.gz XMKLHAIQMQRHAH-OLZOCXBDSA-N 1 0 249.358 2.112 10 0 BEAERO C[C@H](c1cccc(O)c1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000211639886 490202403 /nfs/dbraw/zinc/20/24/03/490202403.db2.gz YFGQNNKZHGJNGU-OCCSQVGLSA-N 1 0 248.370 2.479 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@@H]1C ZINC000252102413 490207441 /nfs/dbraw/zinc/20/74/41/490207441.db2.gz GMLFMOOCOSLTDB-FVCCEPFGSA-N 1 0 238.375 2.008 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000217741352 490219552 /nfs/dbraw/zinc/21/95/52/490219552.db2.gz JRLOWOSKDNLSAZ-MGPQQGTHSA-N 1 0 246.354 2.352 10 0 BEAERO CC[C@@H]1CCC[N@H+](Cc2cncnc2)CC1 ZINC000128826057 490244067 /nfs/dbraw/zinc/24/40/67/490244067.db2.gz VCRJRCPKVKHCHO-GFCCVEGCSA-N 1 0 219.332 2.489 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000128924323 490263712 /nfs/dbraw/zinc/26/37/12/490263712.db2.gz ZGTQTAXVUDQSQL-RNJOBUHISA-N 1 0 240.391 2.408 10 0 BEAERO CC1([NH2+]Cc2cncnc2)Cc2ccccc2C1 ZINC000125391611 490430617 /nfs/dbraw/zinc/43/06/17/490430617.db2.gz YEWPHYGTATWNGZ-UHFFFAOYSA-N 1 0 239.322 2.124 10 0 BEAERO O[C@@]1(C2CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000126009316 490477584 /nfs/dbraw/zinc/47/75/84/490477584.db2.gz BIQHVYIKHIRAMP-HNNXBMFYSA-N 1 0 231.339 2.424 10 0 BEAERO Cc1ccncc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128038195 490568822 /nfs/dbraw/zinc/56/88/22/490568822.db2.gz MRTZNCSTGMNMGI-NEPJUHHUSA-N 1 0 219.332 2.285 10 0 BEAERO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cncnc2)C1 ZINC000128189173 490575085 /nfs/dbraw/zinc/57/50/85/490575085.db2.gz APGWNHIOGYGCNL-VXGBXAGGSA-N 1 0 219.332 2.487 10 0 BEAERO CCC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000086929524 491065221 /nfs/dbraw/zinc/06/52/21/491065221.db2.gz GTNHXGFCZYSWGZ-QWHCGFSZSA-N 1 0 210.365 2.345 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCC1CCC1 ZINC000659362771 491104536 /nfs/dbraw/zinc/10/45/36/491104536.db2.gz WNOYQQVJMSPBDY-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO [NH3+][C@@H]1c2cc(Cl)cc(Cl)c2CC[C@@H]1O ZINC000039941473 491110648 /nfs/dbraw/zinc/11/06/48/491110648.db2.gz IKXGQSRJGUAIKS-VHSXEESVSA-N 1 0 232.110 2.300 10 0 BEAERO C[C@@H](CC1CCC1)[NH2+]C1CCN(C)CC1 ZINC000132240064 491127182 /nfs/dbraw/zinc/12/71/82/491127182.db2.gz QULQTGHRZDPXCN-NSHDSACASA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cncs1 ZINC000132339198 491135225 /nfs/dbraw/zinc/13/52/25/491135225.db2.gz RAEGWEUXRQSAGP-ZJUUUORDSA-N 1 0 226.345 2.363 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000309090157 491144540 /nfs/dbraw/zinc/14/45/40/491144540.db2.gz BWDRROSVBZHVQW-XQQFMLRXSA-N 1 0 212.381 2.352 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cccc(C)n2)C1 ZINC000309412598 491148851 /nfs/dbraw/zinc/14/88/51/491148851.db2.gz CATWNURORWCIFD-PWSUYJOCSA-N 1 0 219.332 2.142 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cccc(C)n2)C1 ZINC000309412599 491148890 /nfs/dbraw/zinc/14/88/90/491148890.db2.gz CATWNURORWCIFD-ZYHUDNBSSA-N 1 0 219.332 2.142 10 0 BEAERO CC(C)C[C@@H](C[NH3+])CC(=O)OC1CCCC1 ZINC000083862715 519776332 /nfs/dbraw/zinc/77/63/32/519776332.db2.gz KYJLVEAIIWLWII-LLVKDONJSA-N 1 0 227.348 2.483 10 0 BEAERO CCCC[C@@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757127261 582502235 /nfs/dbraw/zinc/50/22/35/582502235.db2.gz IHBDDFFRRQUQHY-MRVPVSSYSA-N 1 0 214.334 2.134 10 0 BEAERO C[NH2+]Cc1sc([C@@H](O)C2CCC2)nc1C ZINC000757133925 582510716 /nfs/dbraw/zinc/51/07/16/582510716.db2.gz XSJJWWJSBDVRSB-JTQLQIEISA-N 1 0 226.345 2.004 10 0 BEAERO CCC[C@H]1CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757138153 582517404 /nfs/dbraw/zinc/51/74/04/582517404.db2.gz BABOWOAWXRPWGW-RYUDHWBXSA-N 1 0 213.321 2.062 10 0 BEAERO CC(C)[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757138572 582517630 /nfs/dbraw/zinc/51/76/30/582517630.db2.gz CJONKLPZFGXVRM-TZMCWYRMSA-N 1 0 239.359 2.165 10 0 BEAERO CC1(C)C[NH2+]C2(CCCC2)O[C@@]12CCOC2 ZINC000757140268 582520116 /nfs/dbraw/zinc/52/01/16/582520116.db2.gz ISJGNHOICLDBRZ-GFCCVEGCSA-N 1 0 225.332 2.062 10 0 BEAERO CCC1(CC)CCNC2(C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000757139159 582519636 /nfs/dbraw/zinc/51/96/36/582519636.db2.gz FYEUPYOEUCITJD-ONXXMXGDSA-N 1 0 238.375 2.166 10 0 BEAERO CCC1(CC)CC[NH2+][C@]2(CCSC2)O1 ZINC000757145838 582528612 /nfs/dbraw/zinc/52/86/12/582528612.db2.gz PMCRQCQQCOFNTI-LLVKDONJSA-N 1 0 215.362 2.388 10 0 BEAERO CC1(C)CCC[C@@]2(C1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757146234 582529521 /nfs/dbraw/zinc/52/95/21/582529521.db2.gz QSIATMOJDBLMFL-ZIAGYGMSSA-N 1 0 239.359 2.452 10 0 BEAERO C[C@@H]1CC(C)(C)OC2(CCSCC2)[NH2+]1 ZINC000757148230 582532164 /nfs/dbraw/zinc/53/21/64/582532164.db2.gz MUGKWRNSRWYYQD-SECBINFHSA-N 1 0 215.362 2.387 10 0 BEAERO CC[C@H]1[NH2+][C@H](Cc2ccccc2)CCO1 ZINC000757150202 582534369 /nfs/dbraw/zinc/53/43/69/582534369.db2.gz PFTNOMORYAEGSR-STQMWFEESA-N 1 0 205.301 2.344 10 0 BEAERO C[C@H]1CCC[C@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757151944 582536101 /nfs/dbraw/zinc/53/61/01/582536101.db2.gz UHFKCQRWVIQDGJ-AAEUAGOBSA-N 1 0 225.332 2.062 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153688 582538061 /nfs/dbraw/zinc/53/80/61/582538061.db2.gz QCJDUYHUNREGAN-NWDGAFQWSA-N 1 0 227.735 2.289 10 0 BEAERO CC(C)[C@H]1O[C@]2(CCCOC2)[NH2+]CC1(C)C ZINC000757152620 582537262 /nfs/dbraw/zinc/53/72/62/582537262.db2.gz SYCLMLJFRRCWFL-YPMHNXCESA-N 1 0 227.348 2.164 10 0 BEAERO Cc1cc(CC(=O)C[C@@H](C)[NH3+])ccc1Cl ZINC000757155931 582540013 /nfs/dbraw/zinc/54/00/13/582540013.db2.gz FPAKHHLDZITHAD-SECBINFHSA-N 1 0 225.719 2.497 10 0 BEAERO C[NH2+]CC[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757155451 582540054 /nfs/dbraw/zinc/54/00/54/582540054.db2.gz CENGGDNPZSOZDO-LLVKDONJSA-N 1 0 227.735 2.161 10 0 BEAERO Cc1cc(C[C@H](O)C(C)(C)[NH3+])ccc1Cl ZINC000757158553 582540290 /nfs/dbraw/zinc/54/02/90/582540290.db2.gz NXDFTGKPEOGZPR-NSHDSACASA-N 1 0 227.735 2.289 10 0 BEAERO Cc1cc(C[C@@H](O)[C@H](C)C[NH3+])ccc1Cl ZINC000757159641 582541451 /nfs/dbraw/zinc/54/14/51/582541451.db2.gz PUJAXSLPXPFDDB-BXKDBHETSA-N 1 0 227.735 2.147 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534268 535590630 /nfs/dbraw/zinc/59/06/30/535590630.db2.gz PDASIRZMAIJNGT-SRVKXCTJSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@]1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261783574 536045140 /nfs/dbraw/zinc/04/51/40/536045140.db2.gz POXBBGQCTIBHIK-BZPMIXESSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1CC[C@H](CNC(=O)OCc2ccccc2)[NH2+]1 ZINC000306918772 534240636 /nfs/dbraw/zinc/24/06/36/534240636.db2.gz AMKZCSVSSDCKNX-DGCLKSJQSA-N 1 0 248.326 2.053 10 0 BEAERO CSC[C@@H]([NH3+])Cc1cccc(F)c1F ZINC000054495298 518174334 /nfs/dbraw/zinc/17/43/34/518174334.db2.gz SYTIWJNLLRCKNE-QMMMGPOBSA-N 1 0 217.284 2.198 10 0 BEAERO C[C@H](C[NH3+])CN(C)C(=O)C(C)(C)c1ccccc1 ZINC000042455103 518182146 /nfs/dbraw/zinc/18/21/46/518182146.db2.gz ZEGUZOPNJPIAJB-GFCCVEGCSA-N 1 0 248.370 2.017 10 0 BEAERO CCCC[NH2+]Cc1nc(CC(C)C)no1 ZINC000057340829 520693921 /nfs/dbraw/zinc/69/39/21/520693921.db2.gz LOYIXYMKGPPZKX-UHFFFAOYSA-N 1 0 211.309 2.158 10 0 BEAERO CCC[C@@H]([NH3+])c1noc(C(F)(F)Cl)n1 ZINC000095532815 520726982 /nfs/dbraw/zinc/72/69/82/520726982.db2.gz BZQUUPMIBGWJCU-SCSAIBSYSA-N 1 0 225.626 2.158 10 0 BEAERO C[NH2+]Cc1c(C)nn(C(C)(C)C)c1Cl ZINC000057354252 522100972 /nfs/dbraw/zinc/10/09/72/522100972.db2.gz BUMHOLLHETUBHT-UHFFFAOYSA-N 1 0 215.728 2.319 10 0 BEAERO Fc1ccc2ccccc2c1CN1CC[NH2+]CC1 ZINC000390824168 526376898 /nfs/dbraw/zinc/37/68/98/526376898.db2.gz JPMGAQBRZHXITC-UHFFFAOYSA-N 1 0 244.313 2.384 10 0 BEAERO c1ccc([C@H]2C[C@H]3[NH2+]CCC[C@H]3O2)cc1 ZINC000334163754 526500097 /nfs/dbraw/zinc/50/00/97/526500097.db2.gz BYHKVRAIUQZFCW-JHJVBQTASA-N 1 0 203.285 2.269 10 0 BEAERO C[NH2+]Cc1cccnc1N1CCC(C)CC1 ZINC000051399007 536470677 /nfs/dbraw/zinc/47/06/77/536470677.db2.gz ZQGDRDVKSUCMLX-UHFFFAOYSA-N 1 0 219.332 2.037 10 0 BEAERO CC(=O)Nc1ccc(N[C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400706785 527014972 /nfs/dbraw/zinc/01/49/72/527014972.db2.gz LGKWMOUNVGZLEV-JQWIXIFHSA-N 1 0 247.342 2.055 10 0 BEAERO CC(C)(CN[C@H]1CC[NH2+]C1)C1=CCCC1 ZINC000308756147 527180875 /nfs/dbraw/zinc/18/08/75/527180875.db2.gz MXNJBFHGGQHPHJ-LBPRGKRZSA-N 1 0 208.349 2.074 10 0 BEAERO CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000401600014 528435292 /nfs/dbraw/zinc/43/52/92/528435292.db2.gz ZCQUQDYADNZWHL-JSGCOSHPSA-N 1 0 249.354 2.288 10 0 BEAERO CC1(C)[C@H]([NH2+]Cc2cncs2)[C@@H]2CCO[C@H]21 ZINC000227977539 535074832 /nfs/dbraw/zinc/07/48/32/535074832.db2.gz SUAROUUWDFNPMV-HBNTYKKESA-N 1 0 238.356 2.046 10 0 BEAERO CC(C)C[NH+]1CCN(c2ccc(C=O)cc2)CC1 ZINC000002458169 535105710 /nfs/dbraw/zinc/10/57/10/535105710.db2.gz BXGDQHQHDFQGSZ-UHFFFAOYSA-N 1 0 246.354 2.277 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262584065 535144507 /nfs/dbraw/zinc/14/45/07/535144507.db2.gz MSAZECPHEMZJTH-NSHDSACASA-N 1 0 228.380 2.112 10 0 BEAERO CC(C)[NH+]1CCN(c2ccc([C@H](C)O)cc2)CC1 ZINC000036190415 535205126 /nfs/dbraw/zinc/20/51/26/535205126.db2.gz IVLMJAKXJGCKKY-ZDUSSCGKSA-N 1 0 248.370 2.270 10 0 BEAERO CCOC1CCN(c2ccccc2C[NH3+])CC1 ZINC000020267334 535400953 /nfs/dbraw/zinc/40/09/53/535400953.db2.gz ZSSLKZMCBNDBPV-UHFFFAOYSA-N 1 0 234.343 2.151 10 0 BEAERO CCNc1cc(C)[nH+]c(N2CCCCC2)n1 ZINC000050848884 535519309 /nfs/dbraw/zinc/51/93/09/535519309.db2.gz ISHMDIRPXNQKRZ-UHFFFAOYSA-N 1 0 220.320 2.207 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC000176994800 535545555 /nfs/dbraw/zinc/54/55/55/535545555.db2.gz IXDJJPNZRQAHLU-GFCCVEGCSA-N 1 0 240.391 2.365 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)C(C)C ZINC000078435354 535647150 /nfs/dbraw/zinc/64/71/50/535647150.db2.gz QJZUIKZVKCCUNU-RYUDHWBXSA-N 1 0 243.395 2.060 10 0 BEAERO CCN1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000336189973 535711072 /nfs/dbraw/zinc/71/10/72/535711072.db2.gz ZQXGCUUSGLTMEC-LBPRGKRZSA-N 1 0 246.345 2.449 10 0 BEAERO CC[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164493201 535797421 /nfs/dbraw/zinc/79/74/21/535797421.db2.gz QCPSOWWFXIGLOT-SMDDNHRTSA-N 1 0 246.354 2.109 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000336131879 535844880 /nfs/dbraw/zinc/84/48/80/535844880.db2.gz IQJNWQDSIVKUBA-NEPJUHHUSA-N 1 0 211.349 2.412 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)C1CC1 ZINC000252876585 535931848 /nfs/dbraw/zinc/93/18/48/535931848.db2.gz QXYSBOCPFXSAQP-YNEHKIRRSA-N 1 0 211.349 2.458 10 0 BEAERO CCn1c(C)nnc1C[NH+](C(C)C)C(C)C ZINC000183050529 535970843 /nfs/dbraw/zinc/97/08/43/535970843.db2.gz DGIUSOXTPQVYBS-UHFFFAOYSA-N 1 0 224.352 2.225 10 0 BEAERO CCn1cccc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000227614345 536102253 /nfs/dbraw/zinc/10/22/53/536102253.db2.gz HWBJTXBQHXXLRO-GXTWGEPZSA-N 1 0 236.359 2.149 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000234193160 536102568 /nfs/dbraw/zinc/10/25/68/536102568.db2.gz PHAPENGRHMBMAK-CHWSQXEVSA-N 1 0 236.359 2.411 10 0 BEAERO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1CC1CC1 ZINC000251585192 536164697 /nfs/dbraw/zinc/16/46/97/536164697.db2.gz CMPTWQXDHNFCLT-KBPBESRZSA-N 1 0 222.376 2.345 10 0 BEAERO CCc1ccc(N2CC[NH2+]C[C@H]2C)cc1 ZINC000016944946 536184553 /nfs/dbraw/zinc/18/45/53/536184553.db2.gz GPLHXSQLGHQGQX-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO C[NH2+][C@@H](C)Cc1noc(/C=C2/CC[C@H](C)C2)n1 ZINC000261804201 536347650 /nfs/dbraw/zinc/34/76/50/536347650.db2.gz PJDSYLMHWSPZTA-YNMOXFEVSA-N 1 0 235.331 2.423 10 0 BEAERO C[NH2+][C@@H]1CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538319 536362632 /nfs/dbraw/zinc/36/26/32/536362632.db2.gz ZQYWUYRWQXWURQ-NWDGAFQWSA-N 1 0 246.345 2.496 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccccc2COC)[C@@H](C)C1 ZINC000049713804 536378416 /nfs/dbraw/zinc/37/84/16/536378416.db2.gz XXHKGABVSVYIJD-GXTWGEPZSA-N 1 0 248.370 2.410 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cccc(COC)c2)[C@H](C)C1 ZINC000049713779 536378521 /nfs/dbraw/zinc/37/85/21/536378521.db2.gz SLZBFENQSHRRSY-TZMCWYRMSA-N 1 0 248.370 2.410 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000049711486 536378706 /nfs/dbraw/zinc/37/87/06/536378706.db2.gz ITUSKGBASKHSAU-QWHCGFSZSA-N 1 0 247.386 2.329 10 0 BEAERO COc1ccc(Cl)cc1N1CCC[C@H]([NH3+])C1 ZINC000043470534 536567286 /nfs/dbraw/zinc/56/72/86/536567286.db2.gz ZSGYXEHQNLQQJQ-JTQLQIEISA-N 1 0 240.734 2.276 10 0 BEAERO COc1ccc(Cl)cc1N1CCC[C@@H]([NH3+])C1 ZINC000043470536 536568128 /nfs/dbraw/zinc/56/81/28/536568128.db2.gz ZSGYXEHQNLQQJQ-SNVBAGLBSA-N 1 0 240.734 2.276 10 0 BEAERO COC1(C[N@@H+]2C[C@@H]3CCC[C@@H]32)CCCC1 ZINC000335709839 536631265 /nfs/dbraw/zinc/63/12/65/536631265.db2.gz QNUWEVPEWJFRKO-RYUDHWBXSA-N 1 0 209.333 2.430 10 0 BEAERO COC1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCCC1 ZINC000336886901 536678366 /nfs/dbraw/zinc/67/83/66/536678366.db2.gz CKCJCIGIDMTNFD-CHWSQXEVSA-N 1 0 241.375 2.086 10 0 BEAERO C[C@@H]1CC[C@]2(CO1)[NH2+]CCc1sccc12 ZINC000401665797 537886460 /nfs/dbraw/zinc/88/64/60/537886460.db2.gz OCIRUKWMWJAWCS-BXKDBHETSA-N 1 0 223.341 2.288 10 0 BEAERO COP(=O)(C[C@H]1CCCCC[NH2+]1)OC ZINC000308535362 566298680 /nfs/dbraw/zinc/29/86/80/566298680.db2.gz LECQHVNDDDIUHE-SECBINFHSA-N 1 0 221.237 2.005 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000725264351 566309678 /nfs/dbraw/zinc/30/96/78/566309678.db2.gz IJJZVXMAGYITHS-SCRDCRAPSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccoc1 ZINC000247998920 566407588 /nfs/dbraw/zinc/40/75/88/566407588.db2.gz KEOVCKSRYQVWOG-GVXVVHGQSA-N 1 0 223.316 2.481 10 0 BEAERO Cc1csc([C@H](C)Nc2cc(C)[nH+]c(N)n2)n1 ZINC000112466015 588799249 /nfs/dbraw/zinc/79/92/49/588799249.db2.gz DASJXUVQIMYYSZ-QMMMGPOBSA-N 1 0 249.343 2.305 10 0 BEAERO COCC[C@H](C)[N@@H+]1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757124080 582499510 /nfs/dbraw/zinc/49/95/10/582499510.db2.gz BOEAKVHLOUNOML-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO CCCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757125649 582499824 /nfs/dbraw/zinc/49/98/24/582499824.db2.gz FFKPRNAUGXVDOJ-CHWSQXEVSA-N 1 0 210.365 2.393 10 0 BEAERO C[C@H](C1CC1)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757132268 582506455 /nfs/dbraw/zinc/50/64/55/582506455.db2.gz QYZFLWZPVYOHKN-DOMZBBRYSA-N 1 0 234.387 2.345 10 0 BEAERO Cc1nc([C@H]2C[C@@H]3CC[NH2+]C[C@@H]32)cs1 ZINC000757139048 582519308 /nfs/dbraw/zinc/51/93/08/582519308.db2.gz CZRSWNVEYNVXQS-GUBZILKMSA-N 1 0 208.330 2.165 10 0 BEAERO C[C@H]1CCC[C@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757141011 582521442 /nfs/dbraw/zinc/52/14/42/582521442.db2.gz KLHBRDPZWKCTML-JSGCOSHPSA-N 1 0 239.359 2.309 10 0 BEAERO C1CC12C[NH2+][C@]1(CCCOCC1)OC21CCC1 ZINC000757141815 582522450 /nfs/dbraw/zinc/52/24/50/582522450.db2.gz JWFRMCYMZCGOGT-CQSZACIVSA-N 1 0 237.343 2.206 10 0 BEAERO COc1ccc([C@H]2CCO[C@H](C)[NH2+]2)cc1 ZINC000757143384 582523634 /nfs/dbraw/zinc/52/36/34/582523634.db2.gz WMRLINFWQQPDEE-BXKDBHETSA-N 1 0 207.273 2.092 10 0 BEAERO CC(C)[C@@H]1O[C@@]2(CCSC2)[NH2+]CC1(C)C ZINC000757143166 582523701 /nfs/dbraw/zinc/52/37/01/582523701.db2.gz MEMDGRCPBUHCCL-CMPLNLGQSA-N 1 0 229.389 2.490 10 0 BEAERO C1C[C@]2(CS1)[NH2+]CC1(CCCCC1)CO2 ZINC000757143729 582524364 /nfs/dbraw/zinc/52/43/64/582524364.db2.gz FGAYTPDXXACNRW-LBPRGKRZSA-N 1 0 227.373 2.390 10 0 BEAERO C[C@H]1C[C@H](C)OC2(CC(CF)(CF)C2)[NH2+]1 ZINC000757144685 582525442 /nfs/dbraw/zinc/52/54/42/582525442.db2.gz HBESDEZJIREZHZ-IUCAKERBSA-N 1 0 219.275 2.189 10 0 BEAERO C1CCC2(C1)C[NH2+][C@@]1(CCCSC1)OC2 ZINC000757144684 582525579 /nfs/dbraw/zinc/52/55/79/582525579.db2.gz OZZZSOHQSCQTJF-LBPRGKRZSA-N 1 0 227.373 2.390 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+][C@]2(CCCOCC2)OC1 ZINC000757145204 582526881 /nfs/dbraw/zinc/52/68/81/582526881.db2.gz HYIFBFCXUYOUHG-WCQYABFASA-N 1 0 227.348 2.165 10 0 BEAERO CC(C)C1CCC2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757145102 582527476 /nfs/dbraw/zinc/52/74/76/582527476.db2.gz HSLHSHUJAYZARI-UHFFFAOYSA-N 1 0 239.359 2.308 10 0 BEAERO CC(C)[C@H]1O[C@]2(CCSC2)[NH2+]CC12CC2 ZINC000757145143 582527802 /nfs/dbraw/zinc/52/78/02/582527802.db2.gz OGJNRJRFXRVFDV-PWSUYJOCSA-N 1 0 227.373 2.244 10 0 BEAERO CCC1CCC2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757146307 582529812 /nfs/dbraw/zinc/52/98/12/582529812.db2.gz KETIFGXXAFHZSE-UHFFFAOYSA-N 1 0 225.332 2.062 10 0 BEAERO CCC[C@H]1CC[NH2+][C@@]2(CCCSC2)O1 ZINC000757147672 582531490 /nfs/dbraw/zinc/53/14/90/582531490.db2.gz MNMKKRLHHCODJY-QWRGUYRKSA-N 1 0 215.362 2.388 10 0 BEAERO c1ccc(C[C@@H]2CCO[C@@]3(CCCOC3)[NH2+]2)cc1 ZINC000757148551 582532727 /nfs/dbraw/zinc/53/27/27/582532727.db2.gz NNRZFUYPKRJPFL-LSDHHAIUSA-N 1 0 247.338 2.114 10 0 BEAERO CC(C)(C)[C@@H]1C[NH2+][C@@]2(COC(C)(C)C2)OC1 ZINC000757148886 582532742 /nfs/dbraw/zinc/53/27/42/582532742.db2.gz OBKPNQBZWLFAFL-ZWNOBZJWSA-N 1 0 227.348 2.164 10 0 BEAERO CC(C)[C@@H]1CCC[C@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757152597 582537127 /nfs/dbraw/zinc/53/71/27/582537127.db2.gz UTYAVWVNLTYSSW-OCCSQVGLSA-N 1 0 239.359 2.308 10 0 BEAERO Cc1cc(C[C@@](C)(O)[C@H](C)[NH3+])ccc1Cl ZINC000757159719 582540984 /nfs/dbraw/zinc/54/09/84/582540984.db2.gz QARBWKLKLHYDDK-JOYOIKCWSA-N 1 0 227.735 2.289 10 0 BEAERO C[NH+](C)C[C@@H](O)CSCc1ccc(Cl)o1 ZINC000757165032 582546747 /nfs/dbraw/zinc/54/67/47/582546747.db2.gz KKIUBHUMFUYSMH-MRVPVSSYSA-N 1 0 249.763 2.089 10 0 BEAERO Cc1ccoc1CSC[C@@H]1CC[NH2+]C1 ZINC000757167735 582548633 /nfs/dbraw/zinc/54/86/33/582548633.db2.gz XQSIFRQUBDVTON-SNVBAGLBSA-N 1 0 211.330 2.431 10 0 BEAERO CCCC[C@@H](C)c1n[nH]c2c1C[NH2+]CC2 ZINC000757169077 582549556 /nfs/dbraw/zinc/54/95/56/582549556.db2.gz WNQONFUTGYWSQZ-SECBINFHSA-N 1 0 207.321 2.349 10 0 BEAERO COC[C@@H](C[NH3+])SCc1ccc(Cl)o1 ZINC000757171546 582551425 /nfs/dbraw/zinc/55/14/25/582551425.db2.gz UUFKOWWDVWOGKL-MRVPVSSYSA-N 1 0 235.736 2.140 10 0 BEAERO CC[C@@H]([NH3+])[C@H](CO)SCc1ccc(Cl)o1 ZINC000757171999 582551435 /nfs/dbraw/zinc/55/14/35/582551435.db2.gz WRMBZMMRRZSIDQ-BDAKNGLRSA-N 1 0 249.763 2.264 10 0 BEAERO [NH3+]C[C@@H]1CC(=O)Nc2ccc(Cl)c(Cl)c21 ZINC000757176099 582552478 /nfs/dbraw/zinc/55/24/78/582552478.db2.gz ZRUPRWDUJOSJNG-YFKPBYRVSA-N 1 0 245.109 2.378 10 0 BEAERO CC1(C)CC([C@H](C[NH3+])CO)CC(C)(C)C1 ZINC000757193520 582557277 /nfs/dbraw/zinc/55/72/77/582557277.db2.gz VYJFWRBSSGRUQW-LLVKDONJSA-N 1 0 213.365 2.406 10 0 BEAERO C[C@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757218018 582562566 /nfs/dbraw/zinc/56/25/66/582562566.db2.gz UQJVWJSRKFMKCX-ZWNOBZJWSA-N 1 0 203.285 2.212 10 0 BEAERO CC[C@H]1CCCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000400482684 582579182 /nfs/dbraw/zinc/57/91/82/582579182.db2.gz ZFDQZXSECLFGOR-GXFFZTMASA-N 1 0 219.332 2.351 10 0 BEAERO Cc1ccc([C@H]2CNc3[nH+]ccn3C2)cc1 ZINC000235983254 582634845 /nfs/dbraw/zinc/63/48/45/582634845.db2.gz ROHIRXOICOKSIQ-LBPRGKRZSA-N 1 0 213.284 2.401 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000229805802 582673573 /nfs/dbraw/zinc/67/35/73/582673573.db2.gz RDUUOJQXUZQLPW-OLZOCXBDSA-N 1 0 241.281 2.358 10 0 BEAERO CC(C)[NH+]1CCN(Cc2ccc(C=O)cc2)CC1 ZINC000113695559 588850818 /nfs/dbraw/zinc/85/08/18/588850818.db2.gz HSFHUVBRJAJRHV-UHFFFAOYSA-N 1 0 246.354 2.025 10 0 BEAERO CC(C)(C)OC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000209612583 582818181 /nfs/dbraw/zinc/81/81/81/582818181.db2.gz LRWFWBFPWSIXBG-ZJUUUORDSA-N 1 0 213.321 2.236 10 0 BEAERO CC(=O)[C@H]1CCC[N@@H+](CCOCCC(C)C)C1 ZINC000111690371 582818218 /nfs/dbraw/zinc/81/82/18/582818218.db2.gz AQKKUJGYZDRPHD-AWEZNQCLSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)CC[N@H+](C[C@@H](O)C1CC1)C1CC1 ZINC000113769467 588853737 /nfs/dbraw/zinc/85/37/37/588853737.db2.gz OYCKVSNNLUAOQU-CYBMUJFWSA-N 1 0 211.349 2.268 10 0 BEAERO CC[C@@H]1CCC[C@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000128044689 582825319 /nfs/dbraw/zinc/82/53/19/582825319.db2.gz GXLXTGZXJUZONS-MNOVXSKESA-N 1 0 247.342 2.362 10 0 BEAERO C[C@@H](CCO)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000132964588 582868219 /nfs/dbraw/zinc/86/82/19/582868219.db2.gz CITKIOCOQVHETJ-STQMWFEESA-N 1 0 241.375 2.229 10 0 BEAERO Cc1csc(C(=O)C[C@@H]2CCCC[NH2+]2)n1 ZINC000702018367 582923836 /nfs/dbraw/zinc/92/38/36/582923836.db2.gz BNFLVALKCSENCO-VIFPVBQESA-N 1 0 224.329 2.166 10 0 BEAERO C[C@H]1CCC[C@H](CC(=O)C2(Cl)CC2)[NH2+]1 ZINC000702366505 582925892 /nfs/dbraw/zinc/92/58/92/582925892.db2.gz ZNMCSPVVAVCVNP-DTWKUNHWSA-N 1 0 215.724 2.248 10 0 BEAERO CC[C@@H]1CC[NH2+][C@H](CC(=O)C2(Cl)CC2)C1 ZINC000702366382 582926077 /nfs/dbraw/zinc/92/60/77/582926077.db2.gz YHGBCJDPAJHICI-ZJUUUORDSA-N 1 0 229.751 2.495 10 0 BEAERO CC(C)(Cn1cc[nH+]c1N)C(C)(F)F ZINC000702652999 582926735 /nfs/dbraw/zinc/92/67/35/582926735.db2.gz BQNRFBAJDJPXSR-UHFFFAOYSA-N 1 0 203.236 2.147 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H]([C@H]2CCC3(CC3)C2=O)C1 ZINC000706579143 582960374 /nfs/dbraw/zinc/96/03/74/582960374.db2.gz OESSPDZLELJNTN-GMTAPVOTSA-N 1 0 207.317 2.134 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCC3(CC3)C2=O)C1 ZINC000706579145 582960774 /nfs/dbraw/zinc/96/07/74/582960774.db2.gz OESSPDZLELJNTN-OUAUKWLOSA-N 1 0 207.317 2.134 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCN[C@H]2C)C1 ZINC000396662729 583087864 /nfs/dbraw/zinc/08/78/64/583087864.db2.gz HJADJLLIWJBNFI-QNWHQSFQSA-N 1 0 210.365 2.105 10 0 BEAERO Cc1nn(C)cc1[C@@H]1[NH2+]CCc2sccc21 ZINC000397156662 583097764 /nfs/dbraw/zinc/09/77/64/583097764.db2.gz OPQIWRGEUPPWFK-GFCCVEGCSA-N 1 0 233.340 2.025 10 0 BEAERO CCn1cc([C@@H]2[NH2+]CCc3sccc32)cn1 ZINC000397162293 583098360 /nfs/dbraw/zinc/09/83/60/583098360.db2.gz WDDKNUPCPIDMOH-LBPRGKRZSA-N 1 0 233.340 2.200 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@H]2[C@H]1CCCOC1 ZINC000397164751 583098491 /nfs/dbraw/zinc/09/84/91/583098491.db2.gz ZKRPAIFBXNTOKX-CABZTGNLSA-N 1 0 223.341 2.362 10 0 BEAERO CCC(CC)c1cc2n(n1)[C@@H](C[NH3+])CCN2 ZINC000232869782 585033029 /nfs/dbraw/zinc/03/30/29/585033029.db2.gz OAYGLVQHGCKCCT-SNVBAGLBSA-N 1 0 222.336 2.102 10 0 BEAERO [NH3+]Cc1cccc(-c2ccc(C=O)cn2)c1 ZINC000757567535 586335666 /nfs/dbraw/zinc/33/56/66/586335666.db2.gz VOYPFARWEWJKRZ-UHFFFAOYSA-N 1 0 212.252 2.020 10 0 BEAERO CC1(C)CC[C@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757143414 586428329 /nfs/dbraw/zinc/42/83/29/586428329.db2.gz MTMNAWVQDSRABA-AWEZNQCLSA-N 1 0 239.359 2.309 10 0 BEAERO [NH3+]C[C@H]1CCN1Cc1cccc(F)c1Cl ZINC000757147223 586429165 /nfs/dbraw/zinc/42/91/65/586429165.db2.gz STYVGETYPXTAJM-SECBINFHSA-N 1 0 228.698 2.012 10 0 BEAERO CC1(C)CCC[C@@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757153077 586429759 /nfs/dbraw/zinc/42/97/59/586429759.db2.gz WIVHREPIPDZYIA-CYBMUJFWSA-N 1 0 225.332 2.062 10 0 BEAERO Clc1ccc(CSC[C@@H]2C[NH2+]CCO2)o1 ZINC000757170904 586432937 /nfs/dbraw/zinc/43/29/37/586432937.db2.gz RVDBIQRNFZSEBU-VIFPVBQESA-N 1 0 247.747 2.155 10 0 BEAERO [NH3+]C[C@H]1CC(=O)Nc2ccc(C(F)(F)F)cc21 ZINC000757175574 586432986 /nfs/dbraw/zinc/43/29/86/586432986.db2.gz KSHXMMZHXUVECE-ZCFIWIBFSA-N 1 0 244.216 2.090 10 0 BEAERO [NH3+]C[C@@H]1CC(=O)Nc2ccc(C(F)(F)F)cc21 ZINC000757175571 586433107 /nfs/dbraw/zinc/43/31/07/586433107.db2.gz KSHXMMZHXUVECE-LURJTMIESA-N 1 0 244.216 2.090 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])[C@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183297 586433397 /nfs/dbraw/zinc/43/33/97/586433397.db2.gz NMQANSDCKSXIPH-LNLATYFQSA-N 1 0 231.311 2.184 10 0 BEAERO CCOC(=O)C=C1CC[NH+](CC(C)C)CC1 ZINC000757193304 586436541 /nfs/dbraw/zinc/43/65/41/586436541.db2.gz SENDGQMDOQRHCJ-UHFFFAOYSA-N 1 0 225.332 2.228 10 0 BEAERO CC1(c2ccc([C@H]3C[C@@H]([NH3+])CC[NH2+]3)cc2)CC1 ZINC000757206844 586437393 /nfs/dbraw/zinc/43/73/93/586437393.db2.gz APUZASJUJHXWRQ-UONOGXRCSA-N 1 0 230.355 2.490 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1c1cccc(C=O)c1 ZINC000757212367 586439228 /nfs/dbraw/zinc/43/92/28/586439228.db2.gz INERYQASUJCTTE-GXFFZTMASA-N 1 0 203.285 2.355 10 0 BEAERO CC(=O)c1ccc([C@@H]2CC[C@@H]([NH3+])[C@@H](C)N2)cc1 ZINC000757213319 586439361 /nfs/dbraw/zinc/43/93/61/586439361.db2.gz JKLQUKCCCKSKJQ-FZQKWOKYSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@@H]1C[C@@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757212842 586439594 /nfs/dbraw/zinc/43/95/94/586439594.db2.gz JZYQSSCSLICQNX-BDAKNGLRSA-N 1 0 209.314 2.416 10 0 BEAERO CC[C@H]1C[C@H](C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000757215244 586440817 /nfs/dbraw/zinc/44/08/17/586440817.db2.gz NKNFOFGCBLVOHV-ZJUUUORDSA-N 1 0 213.321 2.106 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(C=O)s2)C1 ZINC000757215384 586440847 /nfs/dbraw/zinc/44/08/47/586440847.db2.gz NVHLMTUUATWHIS-IUCAKERBSA-N 1 0 209.314 2.274 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1c1cccc(C=O)c1 ZINC000757217184 586441306 /nfs/dbraw/zinc/44/13/06/586441306.db2.gz RGVZKPFQSVWCBM-MFKMUULPSA-N 1 0 203.285 2.212 10 0 BEAERO CC1(c2ccc([C@H]3CC[C@@H]([NH3+])CN3)cc2)CC1 ZINC000757219279 586442090 /nfs/dbraw/zinc/44/20/90/586442090.db2.gz WKFQANWOPLQQNT-ZIAGYGMSSA-N 1 0 230.355 2.490 10 0 BEAERO C[C@@H]1CCN[C@H](c2cccc3cc[nH]c32)[C@H]1[NH3+] ZINC000757219378 586442235 /nfs/dbraw/zinc/44/22/35/586442235.db2.gz WYNNQICSHAZCHA-LJWDBELGSA-N 1 0 229.327 2.166 10 0 BEAERO CC(C)[C@@H]1CCC[C@]2(CC(=O)O[C@@H]2C[NH3+])C1 ZINC000757224099 586442836 /nfs/dbraw/zinc/44/28/36/586442836.db2.gz NYTJJEBQFUYHMR-NQBHXWOUSA-N 1 0 225.332 2.093 10 0 BEAERO NC[C@H]1CC[C@@H](c2cscc2C(F)F)C[NH2+]1 ZINC000757232958 586442981 /nfs/dbraw/zinc/44/29/81/586442981.db2.gz JLJLYUZQNZAMPI-HTQZYQBOSA-N 1 0 246.326 2.480 10 0 BEAERO Cc1cccc(Cc2noc(CC[C@@H](C)[NH3+])n2)c1 ZINC000109517532 588564883 /nfs/dbraw/zinc/56/48/83/588564883.db2.gz LHDNWDWQXZSYJW-LLVKDONJSA-N 1 0 245.326 2.249 10 0 BEAERO C[C@@H]1CC[C@H](C)[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120787015 589466038 /nfs/dbraw/zinc/46/60/38/589466038.db2.gz HQLAMEJYLORRFP-GRYCIOLGSA-N 1 0 225.332 2.060 10 0 BEAERO Cc1cccc(C)c1C[NH2+]Cc1cn[nH]c1 ZINC000122060001 589551909 /nfs/dbraw/zinc/55/19/09/589551909.db2.gz NPGPFSAVMMDQHR-UHFFFAOYSA-N 1 0 215.300 2.316 10 0 BEAERO Cc1cc(C[NH2+]CC[C@H](C)[S@](C)=O)c(C)o1 ZINC000122129875 589556856 /nfs/dbraw/zinc/55/68/56/589556856.db2.gz ZFAWIFNSNBSKJW-MGPLVRAMSA-N 1 0 243.372 2.143 10 0 BEAERO Cc1cc(C(C)C)nc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000122309981 589577887 /nfs/dbraw/zinc/57/78/87/589577887.db2.gz LBXQZESZDXRLBR-GFCCVEGCSA-N 1 0 248.374 2.084 10 0 BEAERO Cc1cc(N[C@@H]2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000122371431 589585014 /nfs/dbraw/zinc/58/50/14/589585014.db2.gz STKUJFSWZNXVHM-SECBINFHSA-N 1 0 220.320 2.358 10 0 BEAERO COC[C@H](C)C[NH2+]CCSC(F)(F)F ZINC000123356789 589691108 /nfs/dbraw/zinc/69/11/08/589691108.db2.gz BVIPXZSISJCCOD-SSDOTTSWSA-N 1 0 231.283 2.112 10 0 BEAERO O[C@H](C[NH2+][C@H]1CSc2ccccc21)C1CC1 ZINC000123558323 589752348 /nfs/dbraw/zinc/75/23/48/589752348.db2.gz ZISYMJHAVGVRGG-NWDGAFQWSA-N 1 0 235.352 2.194 10 0 BEAERO CC1(C)C[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000124354242 589977833 /nfs/dbraw/zinc/97/78/33/589977833.db2.gz XFUIZZVGEWEEGY-NSHDSACASA-N 1 0 218.300 2.130 10 0 BEAERO CC[C@H]1CC[C@@H](C)N1c1cc(C)[nH+]c(N)n1 ZINC000124472979 590019805 /nfs/dbraw/zinc/01/98/05/590019805.db2.gz XLGYOCOBNYYNJR-ZJUUUORDSA-N 1 0 220.320 2.135 10 0 BEAERO CN(C)C(C)(C)C[NH2+]CCc1ccccc1 ZINC000020125708 590076140 /nfs/dbraw/zinc/07/61/40/590076140.db2.gz ZJNZODYLSDDRHE-UHFFFAOYSA-N 1 0 220.360 2.159 10 0 BEAERO C[C@@H]([NH2+]CCc1ccccc1)C(=O)NC(C)(C)C ZINC000020312977 590098134 /nfs/dbraw/zinc/09/81/34/590098134.db2.gz IIURAUUVPURUEL-GFCCVEGCSA-N 1 0 248.370 2.122 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCc1ccccc1 ZINC000020364215 590104559 /nfs/dbraw/zinc/10/45/59/590104559.db2.gz MMCKBFXELFGFLY-STQMWFEESA-N 1 0 248.370 2.122 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020523475 590118661 /nfs/dbraw/zinc/11/86/61/590118661.db2.gz CDMIEGHVGVJLDA-CYDGBPFRSA-N 1 0 238.375 2.068 10 0 BEAERO COC(C[NH2+][C@@H]1CCCC[C@@H]1C(C)C)OC ZINC000125689607 590181719 /nfs/dbraw/zinc/18/17/19/590181719.db2.gz UPSAHLKAIDNWGI-VXGBXAGGSA-N 1 0 229.364 2.410 10 0 BEAERO CC[C@H]([NH2+]Cc1ccoc1)[C@@H]1CCCO1 ZINC000126311863 590272915 /nfs/dbraw/zinc/27/29/15/590272915.db2.gz VQYBROFGLVJERR-RYUDHWBXSA-N 1 0 209.289 2.327 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CC[S@](C)=O)CC(C)(C)C1 ZINC000126871161 590478389 /nfs/dbraw/zinc/47/83/89/590478389.db2.gz WSJCJBARMXTTEG-JRPNMDOOSA-N 1 0 231.405 2.169 10 0 BEAERO CCCC[C@H](CC)CC[NH2+]CCS(C)(=O)=O ZINC000126971574 590525930 /nfs/dbraw/zinc/52/59/30/590525930.db2.gz SNYPMYRBVXPPMG-LBPRGKRZSA-N 1 0 249.420 2.227 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000127076922 590553803 /nfs/dbraw/zinc/55/38/03/590553803.db2.gz TYULADKRFRZJLC-GRYCIOLGSA-N 1 0 207.317 2.149 10 0 BEAERO C[C@H](NC(=O)c1c[nH+]ccc1N)C1CCCCC1 ZINC000127623562 590725635 /nfs/dbraw/zinc/72/56/35/590725635.db2.gz KVGBTLLNXCOBGA-JTQLQIEISA-N 1 0 247.342 2.362 10 0 BEAERO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000128247585 590950480 /nfs/dbraw/zinc/95/04/80/590950480.db2.gz BBEPVTJNTYGMKM-QWHCGFSZSA-N 1 0 242.432 2.204 10 0 BEAERO CCc1cc(C[NH2+][C@H]2CCCSC2)on1 ZINC000128291322 590964685 /nfs/dbraw/zinc/96/46/85/590964685.db2.gz HYFCOIAURDQDJU-JTQLQIEISA-N 1 0 226.345 2.222 10 0 BEAERO CC(C)n1ncnc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000128888305 591175626 /nfs/dbraw/zinc/17/56/26/591175626.db2.gz KHPCGTHWKFFNSO-MNOVXSKESA-N 1 0 222.336 2.137 10 0 BEAERO CC(C)n1ncnc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000128888654 591176442 /nfs/dbraw/zinc/17/64/42/591176442.db2.gz KHPCGTHWKFFNSO-GHMZBOCLSA-N 1 0 222.336 2.137 10 0 BEAERO Cc1c(Cl)cccc1-c1cnn(CC[NH3+])c1 ZINC000211567946 591201544 /nfs/dbraw/zinc/20/15/44/591201544.db2.gz NQSCEBPJPMWCEK-UHFFFAOYSA-N 1 0 235.718 2.471 10 0 BEAERO C[C@H]1C[C@@H](CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC000211603581 591207893 /nfs/dbraw/zinc/20/78/93/591207893.db2.gz SEDVWISXOJNMEA-QWRGUYRKSA-N 1 0 242.363 2.371 10 0 BEAERO CC[C@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000131571002 591623540 /nfs/dbraw/zinc/62/35/40/591623540.db2.gz WCXDDLJBYOCOQI-LBPRGKRZSA-N 1 0 211.349 2.414 10 0 BEAERO CCC[C@H](OC)c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000131978228 591682568 /nfs/dbraw/zinc/68/25/68/591682568.db2.gz PVYRLQOIHMOBMU-ZJUUUORDSA-N 1 0 239.319 2.024 10 0 BEAERO CC(C)[C@](C)(C[NH3+])NC(=O)CSC(C)(C)C ZINC000132792029 591737713 /nfs/dbraw/zinc/73/77/13/591737713.db2.gz COAXTUJSRZVWEA-LBPRGKRZSA-N 1 0 246.420 2.008 10 0 BEAERO CC(C)(C)OCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000132902535 591746853 /nfs/dbraw/zinc/74/68/53/591746853.db2.gz ZOMQESMQDSEOBO-CYBMUJFWSA-N 1 0 237.343 2.125 10 0 BEAERO CCCCCCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000133697696 591848087 /nfs/dbraw/zinc/84/80/87/591848087.db2.gz RCVPBLWJTVYYLC-NEPJUHHUSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC[S@@](C)=O)cc1C ZINC000133808860 591860101 /nfs/dbraw/zinc/86/01/01/591860101.db2.gz MXQOPGZIIRXDGE-LRDDRELGSA-N 1 0 239.384 2.333 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC[S@@](C)=O)cc1F ZINC000133802872 591861198 /nfs/dbraw/zinc/86/11/98/591861198.db2.gz DIKLNNGRBZWHOA-QFYYESIMSA-N 1 0 243.347 2.163 10 0 BEAERO C[C@H]([NH2+]CC[S@@](C)=O)c1cccc(Cl)c1 ZINC000133820913 591862250 /nfs/dbraw/zinc/86/22/50/591862250.db2.gz HUVOPEBUIBDSSJ-VFZGTOFNSA-N 1 0 245.775 2.369 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC[S@@](C)=O)c(C)c1 ZINC000133838400 591862653 /nfs/dbraw/zinc/86/26/53/591862653.db2.gz GLWDOPSPEUQHLO-LRDDRELGSA-N 1 0 239.384 2.333 10 0 BEAERO COc1ccc([C@@H](O)C[NH2+]Cc2ccoc2)cc1 ZINC000134283854 591911248 /nfs/dbraw/zinc/91/12/48/591911248.db2.gz XPEMZLTZKLCUQT-AWEZNQCLSA-N 1 0 247.294 2.111 10 0 BEAERO O[C@H](C[NH2+]Cc1ccoc1)c1cccc(F)c1 ZINC000134286186 591911337 /nfs/dbraw/zinc/91/13/37/591911337.db2.gz GLNMHQZYFYWDDJ-CYBMUJFWSA-N 1 0 235.258 2.242 10 0 BEAERO O[C@@H](C[NH2+]Cc1ccoc1)c1cccc(F)c1 ZINC000134286207 591912078 /nfs/dbraw/zinc/91/20/78/591912078.db2.gz GLNMHQZYFYWDDJ-ZDUSSCGKSA-N 1 0 235.258 2.242 10 0 BEAERO CCC[C@H](O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000134410582 591925918 /nfs/dbraw/zinc/92/59/18/591925918.db2.gz FVPIVTKWCCUZSY-OLZOCXBDSA-N 1 0 241.375 2.229 10 0 BEAERO CC[C@H](O)CCC[NH2+][C@@H]1CCCSC1 ZINC000134812529 591951888 /nfs/dbraw/zinc/95/18/88/591951888.db2.gz NTAYVWHZHKMAHS-MNOVXSKESA-N 1 0 217.378 2.023 10 0 BEAERO C[N@H+](CCC1CC1)CC1(O)CCCCC1 ZINC000135251892 591999645 /nfs/dbraw/zinc/99/96/45/591999645.db2.gz HBIYYOCLSKDXDA-UHFFFAOYSA-N 1 0 211.349 2.414 10 0 BEAERO CCOCC[NH2+]Cc1cncc2ccccc21 ZINC000135373994 592009793 /nfs/dbraw/zinc/00/97/93/592009793.db2.gz UBJIDSVGNPQMSS-UHFFFAOYSA-N 1 0 230.311 2.361 10 0 BEAERO C[C@H](CCCO)[NH2+]Cc1cncc2ccccc21 ZINC000135381163 592010747 /nfs/dbraw/zinc/01/07/47/592010747.db2.gz KUFPEGMPGVKJAM-GFCCVEGCSA-N 1 0 244.338 2.485 10 0 BEAERO O[C@H](C[NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000135379331 592011152 /nfs/dbraw/zinc/01/11/52/592011152.db2.gz FVEMJHMZUJRIFQ-OAHLLOKOSA-N 1 0 242.322 2.095 10 0 BEAERO C[C@H]([NH3+])c1cc(Br)c([O-])cc1F ZINC000216834088 592083102 /nfs/dbraw/zinc/08/31/02/592083102.db2.gz QKRJIETZUUIEMM-BYPYZUCNSA-N 1 0 234.068 2.314 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1CC12CCC([NH3+])CC2 ZINC000217123484 592100071 /nfs/dbraw/zinc/10/00/71/592100071.db2.gz LPXWLUDPPZPQMK-RUETXSTFSA-N 1 0 240.347 2.171 10 0 BEAERO CC[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000137388621 592175964 /nfs/dbraw/zinc/17/59/64/592175964.db2.gz IJLAFRZAXPMGRH-KBPBESRZSA-N 1 0 246.354 2.381 10 0 BEAERO CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COC(C)C ZINC000218848197 592187729 /nfs/dbraw/zinc/18/77/29/592187729.db2.gz CFWSYPSOXLSOBL-MJBXVCDLSA-N 1 0 243.391 2.331 10 0 BEAERO CCCN(CC)CC[NH2+]CC1(O)CCCCC1 ZINC000219147308 592211181 /nfs/dbraw/zinc/21/11/81/592211181.db2.gz WBSBSTVWESOVGP-UHFFFAOYSA-N 1 0 242.407 2.003 10 0 BEAERO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C1CC1 ZINC000219368213 592222731 /nfs/dbraw/zinc/22/27/31/592222731.db2.gz UZAQAJUIZIBOLC-CHWSQXEVSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000219382723 592223541 /nfs/dbraw/zinc/22/35/41/592223541.db2.gz WCFRLWGNJFPOEI-MCIONIFRSA-N 1 0 243.391 2.188 10 0 BEAERO C[C@]1(C[NH2+][C@H]2CCCSC2)CCCC[C@@H]1O ZINC000219475644 592225341 /nfs/dbraw/zinc/22/53/41/592225341.db2.gz NYOAGHZLBJZJBF-RWMBFGLXSA-N 1 0 243.416 2.413 10 0 BEAERO COC(OC)C(C)(C)[NH2+]Cc1ccccc1 ZINC000071372384 592261717 /nfs/dbraw/zinc/26/17/17/592261717.db2.gz UYOFPTYVADDRRW-UHFFFAOYSA-N 1 0 223.316 2.174 10 0 BEAERO Cc1nn(-c2cc(C)cc(C)c2)cc1C[NH3+] ZINC000221037333 592392281 /nfs/dbraw/zinc/39/22/81/592392281.db2.gz JBKVGPQQVDZROL-UHFFFAOYSA-N 1 0 215.300 2.256 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CC(C)(C)C[C@H]2C ZINC000300128768 592502902 /nfs/dbraw/zinc/50/29/02/592502902.db2.gz CGGJEOJHWBVSAN-UHIISALHSA-N 1 0 239.359 2.211 10 0 BEAERO C[C@@H]1CCC[C@@H]1c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000300241545 592505727 /nfs/dbraw/zinc/50/57/27/592505727.db2.gz MRJSBCIDXVMKTO-VWYCJHECSA-N 1 0 235.331 2.440 10 0 BEAERO CC(C)(C)CCc1noc([C@H]2CCC[NH2+]2)n1 ZINC000300876584 592523713 /nfs/dbraw/zinc/52/37/13/592523713.db2.gz NXEDQABXHPONBJ-SECBINFHSA-N 1 0 223.320 2.473 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCC1CCC2(CC2)CC1 ZINC000829165482 592707181 /nfs/dbraw/zinc/70/71/81/592707181.db2.gz YTMFURXJTMKSTC-GFCCVEGCSA-N 1 0 238.375 2.200 10 0 BEAERO CC1(C)COC[C@H]1[NH2+][C@@H]1COc2ccccc21 ZINC000313020098 634439207 /nfs/dbraw/zinc/43/92/07/634439207.db2.gz ZZUSAORJZNNUNC-DGCLKSJQSA-N 1 0 233.311 2.135 10 0 BEAERO [NH3+]CC[C@@H]1CCN(c2nccc3ccccc32)C1 ZINC000125508626 634524200 /nfs/dbraw/zinc/52/42/00/634524200.db2.gz MPJZWXWTRYPMCH-GFCCVEGCSA-N 1 0 241.338 2.410 10 0 BEAERO C[C@H](CCC(F)(F)F)[NH2+][C@H](C)[C@H](C)O ZINC000336649020 635201307 /nfs/dbraw/zinc/20/13/07/635201307.db2.gz HHYSMMIHQPYQQG-PRJMDXOYSA-N 1 0 213.243 2.076 10 0 BEAERO CCOC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000054026515 635327472 /nfs/dbraw/zinc/32/74/72/635327472.db2.gz DRGKFPKSVMCUFZ-UHFFFAOYSA-N 1 0 241.375 2.493 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)C[C@@H]1CCCCO1 ZINC000054026552 635328637 /nfs/dbraw/zinc/32/86/37/635328637.db2.gz HFZCHPZBBYANPE-LBPRGKRZSA-N 1 0 241.375 2.493 10 0 BEAERO CC1(C)C[C@H]1c1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000225475263 635408278 /nfs/dbraw/zinc/40/82/78/635408278.db2.gz GBQASJNLEISPHQ-UWVGGRQHSA-N 1 0 235.331 2.125 10 0 BEAERO CC1(C)C[C@H]1c1noc(C2CC[NH2+]CC2)n1 ZINC000225471840 635409996 /nfs/dbraw/zinc/40/99/96/635409996.db2.gz JAQWCYHGWBCYMV-VIFPVBQESA-N 1 0 221.304 2.050 10 0 BEAERO CC[C@@H]([NH2+]CC[S@@](=O)CC)C(C)(C)C ZINC000308726260 631359758 /nfs/dbraw/zinc/35/97/58/631359758.db2.gz GRNVDSIRYUGIHX-YGRLFVJLSA-N 1 0 219.394 2.169 10 0 BEAERO Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000080694037 631385014 /nfs/dbraw/zinc/38/50/14/631385014.db2.gz LCBCXGFMIMVRSB-MNOVXSKESA-N 1 0 240.372 2.153 10 0 BEAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)O ZINC000308629745 631444483 /nfs/dbraw/zinc/44/44/83/631444483.db2.gz YLSOTBRZCQLGFI-LPEHRKFASA-N 1 0 213.346 2.476 10 0 BEAERO CSc1ccc(C[NH2+][C@H](C)[C@@H](C)O)s1 ZINC000308714196 631531736 /nfs/dbraw/zinc/53/17/36/631531736.db2.gz AMKPRVLTGGXFGE-HTQZYQBOSA-N 1 0 231.386 2.329 10 0 BEAERO CC(C)(C)SCC[N@@H+]1CC[C@H](CCO)C1 ZINC000308833602 631675288 /nfs/dbraw/zinc/67/52/88/631675288.db2.gz VGPOBVQTHXQKIQ-LLVKDONJSA-N 1 0 231.405 2.222 10 0 BEAERO CCO[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043254693 631756500 /nfs/dbraw/zinc/75/65/00/631756500.db2.gz FYWVSYYXQUFOGQ-ZCFIWIBFSA-N 1 0 205.710 2.438 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@H](C)[C@H](C)O)c1 ZINC000309036899 631807301 /nfs/dbraw/zinc/80/73/01/631807301.db2.gz IQKUCDNNUBPOJQ-NEPJUHHUSA-N 1 0 207.317 2.162 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000049948891 631918295 /nfs/dbraw/zinc/91/82/95/631918295.db2.gz NRDRJLYQTGZSGR-NWDGAFQWSA-N 1 0 209.289 2.245 10 0 BEAERO COC[C@H](C)C[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309405642 632049694 /nfs/dbraw/zinc/04/96/94/632049694.db2.gz AVPDPONBRSZRDO-ZWNOBZJWSA-N 1 0 222.332 2.264 10 0 BEAERO Cc1cc(C)c(C(=O)NCC2CC([NH3+])C2)c(C)c1 ZINC000091524280 632049989 /nfs/dbraw/zinc/04/99/89/632049989.db2.gz SSDSEKITZRSQFZ-UHFFFAOYSA-N 1 0 246.354 2.079 10 0 BEAERO CC(C)CNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000052044035 632052529 /nfs/dbraw/zinc/05/25/29/632052529.db2.gz LULZKBVNVJMVKX-OLZOCXBDSA-N 1 0 231.343 2.312 10 0 BEAERO c1cc(C[NH2+]C[C@H]2CC23CCOCC3)co1 ZINC000309701003 632653825 /nfs/dbraw/zinc/65/38/25/632653825.db2.gz SUIDVRPXEGUFRG-GFCCVEGCSA-N 1 0 221.300 2.186 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC[S@](=O)CC ZINC000309197804 632763298 /nfs/dbraw/zinc/76/32/98/632763298.db2.gz QUDYGSBCPBOIJX-TYNCELHUSA-N 1 0 231.405 2.313 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000309237021 632831552 /nfs/dbraw/zinc/83/15/52/632831552.db2.gz XSQLUPFEGXHHFJ-QWRGUYRKSA-N 1 0 208.280 2.499 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000310686613 632886892 /nfs/dbraw/zinc/88/68/92/632886892.db2.gz MYXIXSWDMFKVMF-SMDDNHRTSA-N 1 0 246.354 2.300 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cncc2ccccc21 ZINC000310747214 632934007 /nfs/dbraw/zinc/93/40/07/632934007.db2.gz HHAJDFPASKXRRY-XHDPSFHLSA-N 1 0 241.338 2.156 10 0 BEAERO CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]1O ZINC000704029449 633045945 /nfs/dbraw/zinc/04/59/45/633045945.db2.gz DCKBNBWCNIHSPS-OLZOCXBDSA-N 1 0 205.301 2.032 10 0 BEAERO CCCc1cccc(C[NH2+][C@@H](C)[C@@H](C)O)c1 ZINC000309449166 633082281 /nfs/dbraw/zinc/08/22/81/633082281.db2.gz KPAXTIYLRGISST-NWDGAFQWSA-N 1 0 221.344 2.498 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C(C)C)cc1 ZINC000166459430 633113812 /nfs/dbraw/zinc/11/38/12/633113812.db2.gz YHJWCECYRGZTSG-UONOGXRCSA-N 1 0 247.338 2.286 10 0 BEAERO CC[C@@H]1CCC[C@@]2(C[NH2+]C[C@@H]2C(=O)OC)CC1 ZINC000166439256 633113947 /nfs/dbraw/zinc/11/39/47/633113947.db2.gz MMFMQBKUUVYOQO-BZPMIXESSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)c(C)c1 ZINC000166603381 633119583 /nfs/dbraw/zinc/11/95/83/633119583.db2.gz QAPUGDDCBVOCAJ-KBPBESRZSA-N 1 0 247.338 2.170 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@H](CC[NH3+])C2)n1 ZINC000125498578 636024576 /nfs/dbraw/zinc/02/45/76/636024576.db2.gz QWOFDXMNMBLCAF-LBPRGKRZSA-N 1 0 248.374 2.084 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000328191768 633737285 /nfs/dbraw/zinc/73/72/85/633737285.db2.gz PQVOSYUUONUAJX-NWINJMCUSA-N 1 0 222.376 2.249 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000328191766 633737734 /nfs/dbraw/zinc/73/77/34/633737734.db2.gz PQVOSYUUONUAJX-CLRIEMFWSA-N 1 0 222.376 2.249 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000328191769 633738350 /nfs/dbraw/zinc/73/83/50/633738350.db2.gz PQVOSYUUONUAJX-PQAZSJQKSA-N 1 0 222.376 2.249 10 0 BEAERO CCC[N@@H+]1CC[C@@]2(C1)C[C@@H](O)c1ccccc1O2 ZINC000328158503 633740701 /nfs/dbraw/zinc/74/07/01/633740701.db2.gz GRPNRQRJVNGZIX-HIFRSBDPSA-N 1 0 247.338 2.357 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309797114 633751442 /nfs/dbraw/zinc/75/14/42/633751442.db2.gz QKJXLRVLZRWNSO-NDMJEZRESA-N 1 0 220.316 2.159 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](SC)C2)C1 ZINC000328385352 633759891 /nfs/dbraw/zinc/75/98/91/633759891.db2.gz WKXOLIJBLGORHK-AGIUHOORSA-N 1 0 242.432 2.344 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000309894076 633910999 /nfs/dbraw/zinc/91/09/99/633910999.db2.gz FCUYWQNURIWFPB-RWMBFGLXSA-N 1 0 221.344 2.224 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000309964709 633991554 /nfs/dbraw/zinc/99/15/54/633991554.db2.gz MXLWIBUCXYHHFV-RKDXNWHRSA-N 1 0 240.372 2.270 10 0 BEAERO C/C=C\C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309864355 634029942 /nfs/dbraw/zinc/02/99/42/634029942.db2.gz DZLPPCVERVSIIB-UKOWJOKBSA-N 1 0 246.354 2.199 10 0 BEAERO C/C=C/C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309864353 634030949 /nfs/dbraw/zinc/03/09/49/634030949.db2.gz DZLPPCVERVSIIB-GBVBUYCNSA-N 1 0 246.354 2.199 10 0 BEAERO CC[C@@H](C)[C@@H](O)C[NH2+]CCc1ccccc1 ZINC000309878757 634035448 /nfs/dbraw/zinc/03/54/48/634035448.db2.gz UNESGBLJUPJAEC-OCCSQVGLSA-N 1 0 221.344 2.226 10 0 BEAERO C/C=C\C[C@H](CO)[NH2+]CCc1ccccc1 ZINC000309966046 634053175 /nfs/dbraw/zinc/05/31/75/634053175.db2.gz NNRJKZKBMAENMI-PYLYLYNFSA-N 1 0 219.328 2.146 10 0 BEAERO C[C@H]1CCC[N@H+](CCNCc2ccoc2)C1 ZINC000053343793 634170924 /nfs/dbraw/zinc/17/09/24/634170924.db2.gz AROLQNDSZNTFSO-LBPRGKRZSA-N 1 0 222.332 2.101 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000053534452 634229580 /nfs/dbraw/zinc/22/95/80/634229580.db2.gz ONEYDZJHTXHULK-QWHCGFSZSA-N 1 0 221.348 2.360 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000123358323 634234940 /nfs/dbraw/zinc/23/49/40/634234940.db2.gz GHSSGMGADNAHAK-YUMQZZPRSA-N 1 0 243.294 2.397 10 0 BEAERO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)c(Cl)c1 ZINC000336700827 635220318 /nfs/dbraw/zinc/22/03/18/635220318.db2.gz NRPJVUWQSYWFNS-DTWKUNHWSA-N 1 0 243.734 2.208 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000336751958 635258675 /nfs/dbraw/zinc/25/86/75/635258675.db2.gz CQSNWPKWGNYUDK-VTPLQMEGSA-N 1 0 219.328 2.149 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)C[C@H]1CCCCO1 ZINC000054026554 635326799 /nfs/dbraw/zinc/32/67/99/635326799.db2.gz HFZCHPZBBYANPE-GFCCVEGCSA-N 1 0 241.375 2.493 10 0 BEAERO Cc1cc(C)cc(-c2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158718 635774441 /nfs/dbraw/zinc/77/44/41/635774441.db2.gz LCUARQYZJFJAKL-SNVBAGLBSA-N 1 0 231.299 2.416 10 0 BEAERO Cc1cc(C)cc(-c2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158717 635775194 /nfs/dbraw/zinc/77/51/94/635775194.db2.gz LCUARQYZJFJAKL-JTQLQIEISA-N 1 0 231.299 2.416 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2cc3c(s2)CCC3)n1 ZINC000054158674 635775271 /nfs/dbraw/zinc/77/52/71/635775271.db2.gz MLOFEZRFGYPSCT-SSDOTTSWSA-N 1 0 249.339 2.349 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C(OC)OC)[C@@H]1C[C@H]1C ZINC000321483012 636649127 /nfs/dbraw/zinc/64/91/27/636649127.db2.gz JEAHSWHBSKQVBC-DBIOUOCHSA-N 1 0 215.337 2.018 10 0 BEAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054598566 637035499 /nfs/dbraw/zinc/03/54/99/637035499.db2.gz BMTWWQFGWVKKTF-DGCLKSJQSA-N 1 0 223.291 2.165 10 0 BEAERO CC(C)OCC[NH2+]CCc1ccccc1 ZINC000042221810 637085558 /nfs/dbraw/zinc/08/55/58/637085558.db2.gz INKNLIHYCAUQAF-UHFFFAOYSA-N 1 0 207.317 2.244 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000042407807 637229891 /nfs/dbraw/zinc/22/98/91/637229891.db2.gz LMDXOYQGPCVCKI-CQSZACIVSA-N 1 0 236.334 2.400 10 0 BEAERO C=C/C=C/CC[N@H+]1CCC[C@H]1CCCO ZINC000713755525 711455139 /nfs/dbraw/zinc/45/51/39/711455139.db2.gz NSNBLPSNLDPPSV-OOPCZODUSA-N 1 0 209.333 2.356 10 0 BEAERO CC[C@@H]([NH2+]C)c1nc(-c2cccs2)nn1C ZINC000054699884 640321954 /nfs/dbraw/zinc/32/19/54/640321954.db2.gz ZGJAERDGYKESCJ-MRVPVSSYSA-N 1 0 236.344 2.214 10 0 BEAERO [NH3+]CCCCCC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000044678702 640452003 /nfs/dbraw/zinc/45/20/03/640452003.db2.gz WVIRLOYYDPKDRJ-UONOGXRCSA-N 1 0 246.354 2.178 10 0 BEAERO CC[NH+](CC)CCNc1cncc2cccnc21 ZINC000223139801 640538805 /nfs/dbraw/zinc/53/88/05/640538805.db2.gz QIGDQCGLDHOESN-UHFFFAOYSA-N 1 0 244.342 2.384 10 0 BEAERO Cc1occc1-c1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000165610370 640587561 /nfs/dbraw/zinc/58/75/61/640587561.db2.gz RDLSNAOJKLTVQF-GXSJLCMTSA-N 1 0 247.298 2.480 10 0 BEAERO CC(C)(CO)[NH2+]Cc1cc(F)ccc1Cl ZINC000165916234 640600189 /nfs/dbraw/zinc/60/01/89/640600189.db2.gz WYZFATHUWNLYMR-UHFFFAOYSA-N 1 0 231.698 2.340 10 0 BEAERO CCC[NH2+][C@H](C)c1nc([C@H](OC)C2CC2)no1 ZINC000157228568 640640404 /nfs/dbraw/zinc/64/04/04/640640404.db2.gz NQNPJRXNJSBLRH-PSASIEDQSA-N 1 0 239.319 2.228 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(CC)cc1 ZINC000166550099 640648378 /nfs/dbraw/zinc/64/83/78/640648378.db2.gz CSOTWLFJCQSDON-KGLIPLIRSA-N 1 0 247.338 2.115 10 0 BEAERO Cc1ccsc1CNc1cc(C)[nH+]c(N)n1 ZINC000045733679 640654406 /nfs/dbraw/zinc/65/44/06/640654406.db2.gz IRJDMYGJCLALRS-UHFFFAOYSA-N 1 0 234.328 2.349 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(C)cc(C)c1 ZINC000166604440 640655991 /nfs/dbraw/zinc/65/59/91/640655991.db2.gz NLDNTVLJENLXBT-ZIAGYGMSSA-N 1 0 247.338 2.170 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C)c1C ZINC000166604075 640657301 /nfs/dbraw/zinc/65/73/01/640657301.db2.gz CSEUSRWJVWCMKL-KGLIPLIRSA-N 1 0 247.338 2.170 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698698 640711085 /nfs/dbraw/zinc/71/10/85/640711085.db2.gz ABDNFRBMZPXXPK-IUCAKERBSA-N 1 0 224.352 2.159 10 0 BEAERO CSCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237084 640741133 /nfs/dbraw/zinc/74/11/33/640741133.db2.gz QANILEGUVOXSQI-GMTAPVOTSA-N 1 0 217.378 2.021 10 0 BEAERO CC[C@@H](C)Cc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000167771930 640745614 /nfs/dbraw/zinc/74/56/14/640745614.db2.gz UUQKCDOXOKHOEA-GHMZBOCLSA-N 1 0 237.347 2.200 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1COc2ccccc21 ZINC000227087052 640815404 /nfs/dbraw/zinc/81/54/04/640815404.db2.gz PNDMOIMOFAXKKA-JHJVBQTASA-N 1 0 233.311 2.013 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000227895614 640851841 /nfs/dbraw/zinc/85/18/41/640851841.db2.gz WPNOXIHSINQVRM-CHWSQXEVSA-N 1 0 245.407 2.436 10 0 BEAERO C[NH2+][C@@H](CCCc1ccccc1)COC ZINC000060697425 640879898 /nfs/dbraw/zinc/87/98/98/640879898.db2.gz HFHCEOJFMGQPMG-ZDUSSCGKSA-N 1 0 207.317 2.244 10 0 BEAERO CC(=O)[C@@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000229532371 640963764 /nfs/dbraw/zinc/96/37/64/640963764.db2.gz IGSSDGKPWNOLJP-GFCCVEGCSA-N 1 0 218.300 2.195 10 0 BEAERO Cc1ccnc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000061859318 641000632 /nfs/dbraw/zinc/00/06/32/641000632.db2.gz DLGVDNOAHOOTFA-GFCCVEGCSA-N 1 0 236.363 2.173 10 0 BEAERO C[C@H]1C[N@H+](C[Si](C)(C)C)CCS1 ZINC000171742386 641009963 /nfs/dbraw/zinc/00/99/63/641009963.db2.gz KPKPYTWMGLXHJK-VIFPVBQESA-N 1 0 203.427 2.301 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](CNCc2ccoc2)C1 ZINC000062103836 641020808 /nfs/dbraw/zinc/02/08/08/641020808.db2.gz SKJXXDUXEGJDML-LBPRGKRZSA-N 1 0 222.332 2.100 10 0 BEAERO C[C@H](C[NH2+]Cc1ccoc1)N1CCCCC1 ZINC000062103706 641021026 /nfs/dbraw/zinc/02/10/26/641021026.db2.gz GPRWJMSGHJBZGG-GFCCVEGCSA-N 1 0 222.332 2.244 10 0 BEAERO CCCCCC[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062114004 641021427 /nfs/dbraw/zinc/02/14/27/641021427.db2.gz FUCJNEPSGDIDOH-NWDGAFQWSA-N 1 0 226.364 2.071 10 0 BEAERO c1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)co1 ZINC000062103522 641021700 /nfs/dbraw/zinc/02/17/00/641021700.db2.gz PSUCYSUGWCRPBK-CYBMUJFWSA-N 1 0 229.279 2.373 10 0 BEAERO Oc1ccc(CC[NH2+]Cc2ccoc2)cc1 ZINC000062103797 641022233 /nfs/dbraw/zinc/02/22/33/641022233.db2.gz RYNGLNIHLQIABM-UHFFFAOYSA-N 1 0 217.268 2.318 10 0 BEAERO C[C@@H]1CCC[C@@H](c2noc([C@@H]3CC[NH2+]C3)n2)C1 ZINC000062119784 641023817 /nfs/dbraw/zinc/02/38/17/641023817.db2.gz QMAFZVVHNMMXFE-GMTAPVOTSA-N 1 0 235.331 2.440 10 0 BEAERO CC1(C)OC[C@H](C[NH2+][C@H]2CCc3ccccc32)O1 ZINC000230208953 641038839 /nfs/dbraw/zinc/03/88/39/641038839.db2.gz GCPRKTCVMCWKNH-JSGCOSHPSA-N 1 0 247.338 2.415 10 0 BEAERO Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000076866026 641059098 /nfs/dbraw/zinc/05/90/98/641059098.db2.gz ZTNZUWDWLAPFPM-NSHDSACASA-N 1 0 240.372 2.419 10 0 BEAERO COc1ccc(C[C@H](C)[NH2+]C2CC(OC)C2)cc1 ZINC000230673783 641079351 /nfs/dbraw/zinc/07/93/51/641079351.db2.gz UJNNFEKBVODVRS-ZOODHJKOSA-N 1 0 249.354 2.393 10 0 BEAERO COc1ccccc1C[C@@H](C)[NH2+]C1CC(OC)C1 ZINC000230674739 641080600 /nfs/dbraw/zinc/08/06/00/641080600.db2.gz ZTCWVIHRIKEMPG-LMWSTFAQSA-N 1 0 249.354 2.393 10 0 BEAERO CC(C)(C)[NH2+]CCN[C@H]1COc2ccccc21 ZINC000230974359 641121807 /nfs/dbraw/zinc/12/18/07/641121807.db2.gz PZAKYYUVHMSWOJ-LBPRGKRZSA-N 1 0 234.343 2.098 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@@H](C(C)C)C2 ZINC000231017618 641126018 /nfs/dbraw/zinc/12/60/18/641126018.db2.gz BEJYAJXCKAWCTN-MBNYWOFBSA-N 1 0 239.359 2.211 10 0 BEAERO Cc1ccoc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084477 641127085 /nfs/dbraw/zinc/12/70/85/641127085.db2.gz HHQRAYWWCGAJBT-SNVBAGLBSA-N 1 0 247.298 2.180 10 0 BEAERO C[C@@H](CCNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000060394439 641178776 /nfs/dbraw/zinc/17/87/76/641178776.db2.gz ISQVSGZIGUXJLS-NSHDSACASA-N 1 0 231.343 2.457 10 0 BEAERO CC[C@@H](Nc1cc(C)[nH+]c(N)n1)C(C)C ZINC000088425566 641182346 /nfs/dbraw/zinc/18/23/46/641182346.db2.gz ZHKHTNFPTRBPHH-SECBINFHSA-N 1 0 208.309 2.214 10 0 BEAERO CCC[C@@](C)(O)C[NH2+]CCc1ccccc1 ZINC000232008336 641228302 /nfs/dbraw/zinc/22/83/02/641228302.db2.gz LZGBLUCCUUUQNM-CQSZACIVSA-N 1 0 221.344 2.370 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1F ZINC000042407747 641551684 /nfs/dbraw/zinc/55/16/84/641551684.db2.gz JWIJKGUBTBQQHD-ZDUSSCGKSA-N 1 0 236.334 2.400 10 0 BEAERO CCN(CCC[NH2+]C1CC1)CC(F)(F)F ZINC000042779676 641558667 /nfs/dbraw/zinc/55/86/67/641558667.db2.gz QWUUNXOHVJSHOW-UHFFFAOYSA-N 1 0 224.270 2.013 10 0 BEAERO Cc1cc(N[C@H]2CCc3ccccc32)nc(N)[nH+]1 ZINC000043533784 641565586 /nfs/dbraw/zinc/56/55/86/641565586.db2.gz DQKILULKWBRLEF-LBPRGKRZSA-N 1 0 240.310 2.467 10 0 BEAERO Cc1cc(NCCc2ccc(F)cc2)nc(N)[nH+]1 ZINC000043532249 641565687 /nfs/dbraw/zinc/56/56/87/641565687.db2.gz AKXPVSZSBRJHBU-UHFFFAOYSA-N 1 0 246.289 2.161 10 0 BEAERO CC1(C)C[C@@H]1c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000232883272 642075043 /nfs/dbraw/zinc/07/50/43/642075043.db2.gz FOQOXNKCTNISBR-VHSXEESVSA-N 1 0 235.331 2.125 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000232886504 642148255 /nfs/dbraw/zinc/14/82/55/642148255.db2.gz RKINVBQNCWSFGH-KXUCPTDWSA-N 1 0 235.331 2.426 10 0 BEAERO CN(C)C1(C[NH2+]CCc2ccccc2)CCC1 ZINC000097928327 642641576 /nfs/dbraw/zinc/64/15/76/642641576.db2.gz KBRRTMRCAHBMNB-UHFFFAOYSA-N 1 0 232.371 2.303 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C/C=C/Cl ZINC000175350274 642677385 /nfs/dbraw/zinc/67/73/85/642677385.db2.gz WZPVQBZLSAUFHM-ZRQQLDRUSA-N 1 0 216.756 2.155 10 0 BEAERO CC[C@H](C)c1noc([C@@]2(C)CCC[NH2+]2)n1 ZINC000070617941 643052994 /nfs/dbraw/zinc/05/29/94/643052994.db2.gz QCBDIQKPEJLUCQ-GZMMTYOYSA-N 1 0 209.293 2.182 10 0 BEAERO COC(OC)[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000070653774 643056272 /nfs/dbraw/zinc/05/62/72/643056272.db2.gz BPUXFJIGNOTLQJ-MOENNCHZSA-N 1 0 229.364 2.410 10 0 BEAERO CN(CCC[NH3+])c1ccc(Br)cc1 ZINC000020239257 643057903 /nfs/dbraw/zinc/05/79/03/643057903.db2.gz YCJHCUPHRBHAEW-UHFFFAOYSA-N 1 0 243.148 2.234 10 0 BEAERO CCN(c1ccc2ccccc2n1)[C@H]1CC[NH2+]C1 ZINC000071314451 643126249 /nfs/dbraw/zinc/12/62/49/643126249.db2.gz DIWHNCNGBOYSLJ-ZDUSSCGKSA-N 1 0 241.338 2.423 10 0 BEAERO CC[C@@H]([NH3+])c1ccc(O)c2ncccc12 ZINC000071453879 643148131 /nfs/dbraw/zinc/14/81/31/643148131.db2.gz VUYDXDCICRLBCH-SNVBAGLBSA-N 1 0 202.257 2.350 10 0 BEAERO CC1(C)CCC[C@@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757149083 643333535 /nfs/dbraw/zinc/33/35/35/643333535.db2.gz WFLCCVNJBZEJHH-CQSZACIVSA-N 1 0 239.359 2.309 10 0 BEAERO C1CCC2(CC1)C[NH2+][C@@]1(CCCOC1)OC2 ZINC000757151971 643341243 /nfs/dbraw/zinc/34/12/43/643341243.db2.gz UKUHEGYUNXKJTL-ZDUSSCGKSA-N 1 0 225.332 2.063 10 0 BEAERO CC[C@@H](C)c1noc(C[C@H]([NH3+])C(C)(C)C)n1 ZINC000082563166 643342704 /nfs/dbraw/zinc/34/27/04/643342704.db2.gz KVEAUCVCALROQB-BDAKNGLRSA-N 1 0 225.336 2.499 10 0 BEAERO CC[C@H](C)c1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000082563229 643343084 /nfs/dbraw/zinc/34/30/84/643343084.db2.gz BSDNLDUZHSHPPB-IUCAKERBSA-N 1 0 211.309 2.109 10 0 BEAERO CC[C@H](C)c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000082561093 643343690 /nfs/dbraw/zinc/34/36/90/643343690.db2.gz YZUWOJJSOKVPAA-VHSXEESVSA-N 1 0 223.320 2.125 10 0 BEAERO CC[C@H](C)c1noc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000082563169 643343963 /nfs/dbraw/zinc/34/39/63/643343963.db2.gz KVEAUCVCALROQB-DTWKUNHWSA-N 1 0 225.336 2.499 10 0 BEAERO CC(C)(C)Cc1noc(CCCCC[NH3+])n1 ZINC000082673225 643365829 /nfs/dbraw/zinc/36/58/29/643365829.db2.gz LUAIOCFLZUMVJS-UHFFFAOYSA-N 1 0 225.336 2.330 10 0 BEAERO O[C@H](C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000049830479 643472731 /nfs/dbraw/zinc/47/27/31/643472731.db2.gz FNQFHXCESNSBMH-CYBMUJFWSA-N 1 0 241.281 2.484 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000049948853 643563886 /nfs/dbraw/zinc/56/38/86/643563886.db2.gz JXWAVORZWYBDLW-QWRGUYRKSA-N 1 0 226.345 2.109 10 0 BEAERO COc1cccc(C[NH2+][C@H]2CCC[C@H]2OC)c1 ZINC000049949003 643564102 /nfs/dbraw/zinc/56/41/02/643564102.db2.gz MEOOIAARTOASMB-UONOGXRCSA-N 1 0 235.327 2.352 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000049948889 643564921 /nfs/dbraw/zinc/56/49/21/643564921.db2.gz NRDRJLYQTGZSGR-RYUDHWBXSA-N 1 0 209.289 2.245 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000049948915 643566533 /nfs/dbraw/zinc/56/65/33/643566533.db2.gz VRTRPCUJTYETBK-OLZOCXBDSA-N 1 0 205.301 2.344 10 0 BEAERO COc1ccc(C[NH2+][C@H]2CCC[C@H]2OC)cc1 ZINC000049948971 643566687 /nfs/dbraw/zinc/56/66/87/643566687.db2.gz LUNZIBGDRHWXFP-UONOGXRCSA-N 1 0 235.327 2.352 10 0 BEAERO Cc1cc(NCCc2ccsc2)nc(N)[nH+]1 ZINC000046479098 643573635 /nfs/dbraw/zinc/57/36/35/643573635.db2.gz YGMBQFYTRSIJSM-UHFFFAOYSA-N 1 0 234.328 2.083 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000086902800 643644507 /nfs/dbraw/zinc/64/45/07/643644507.db2.gz PRNBUQSFSVHELB-UTUOFQBUSA-N 1 0 209.333 2.476 10 0 BEAERO CCCCN(C)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301407 643657594 /nfs/dbraw/zinc/65/75/94/643657594.db2.gz CNJVABMVRQRPJC-RYUDHWBXSA-N 1 0 226.364 2.010 10 0 BEAERO CCC(CC)NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301215 643657864 /nfs/dbraw/zinc/65/78/64/643657864.db2.gz ICKCQACGOHWOTG-ZYHUDNBSSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050269094 643673050 /nfs/dbraw/zinc/67/30/50/643673050.db2.gz BOEVCUFPFMFZNW-KBPBESRZSA-N 1 0 240.391 2.245 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000050369573 643690903 /nfs/dbraw/zinc/69/09/03/643690903.db2.gz NMPAIGINPQEUTH-UHTWSYAYSA-N 1 0 220.316 2.300 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000050370872 643691541 /nfs/dbraw/zinc/69/15/41/643691541.db2.gz OJDVZSKGQLOWBA-CABCVRRESA-N 1 0 231.339 2.311 10 0 BEAERO O[C@H]1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000085972656 643868479 /nfs/dbraw/zinc/86/84/79/643868479.db2.gz QANOFHMIJKAWKE-CABCVRRESA-N 1 0 233.355 2.370 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C2(CCC2)C1 ZINC000082327551 644365573 /nfs/dbraw/zinc/36/55/73/644365573.db2.gz KTOPNLWRUUFYQE-SNVBAGLBSA-N 1 0 240.347 2.125 10 0 BEAERO Cc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)o1 ZINC000083010405 644398871 /nfs/dbraw/zinc/39/88/71/644398871.db2.gz FEASKYLKMJCEPZ-MRVPVSSYSA-N 1 0 219.244 2.063 10 0 BEAERO Cc1cc([C@H]([NH3+])CCO)ccc1Br ZINC000084192088 644420859 /nfs/dbraw/zinc/42/08/59/644420859.db2.gz UZCNMGOKVSEYSU-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO Cc1cc([C@@H]([NH3+])CCO)ccc1Br ZINC000084192092 644421216 /nfs/dbraw/zinc/42/12/16/644421216.db2.gz UZCNMGOKVSEYSU-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO CCCN(CC)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301705 644422267 /nfs/dbraw/zinc/42/22/67/644422267.db2.gz VYMLQEMYUNXWFP-VXGBXAGGSA-N 1 0 226.364 2.010 10 0 BEAERO CC[C@@H](C)c1noc(-c2csc(C[NH3+])n2)n1 ZINC000085546482 644442648 /nfs/dbraw/zinc/44/26/48/644442648.db2.gz KLAZBCLQUWZJPD-ZCFIWIBFSA-N 1 0 238.316 2.165 10 0 BEAERO Cc1cscc1-c1noc([C@H]2CC[NH2+]C2)n1 ZINC000087287815 644487811 /nfs/dbraw/zinc/48/78/11/644487811.db2.gz WEJYAPDMEBXZQM-QMMMGPOBSA-N 1 0 235.312 2.183 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[NH+]1[C@H](C)CCC[C@H]1C ZINC000685951909 644518595 /nfs/dbraw/zinc/51/85/95/644518595.db2.gz ZAVXHTSGWWHUDN-ITGHMWBKSA-N 1 0 224.392 2.493 10 0 BEAERO CCCCN(CC)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089386284 644546787 /nfs/dbraw/zinc/54/67/87/644546787.db2.gz ODSVLHKMPIYMAC-QWHCGFSZSA-N 1 0 240.391 2.400 10 0 BEAERO CCCCC[C@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000092052315 644646329 /nfs/dbraw/zinc/64/63/29/644646329.db2.gz NXEKQEJGNAHLHD-UONOGXRCSA-N 1 0 242.407 2.266 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCCCCC1 ZINC000094647137 644724074 /nfs/dbraw/zinc/72/40/74/644724074.db2.gz UJJXWLFTNAZKBI-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)C[NH3+])no2)c(F)c1 ZINC000094921516 644732834 /nfs/dbraw/zinc/73/28/34/644732834.db2.gz UWDMTDNQUIAXFF-MRVPVSSYSA-N 1 0 235.262 2.246 10 0 BEAERO CC(C)[C@H]([NH3+])c1ccc(O)c(F)c1F ZINC000095685661 644763062 /nfs/dbraw/zinc/76/30/62/644763062.db2.gz VKMMJGFBHJBNSB-JTQLQIEISA-N 1 0 201.216 2.326 10 0 BEAERO C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000251086805 644792625 /nfs/dbraw/zinc/79/26/25/644792625.db2.gz JHGVHILZOGTMEF-WOPDTQHZSA-N 1 0 240.391 2.160 10 0 BEAERO C[C@@H]1C[C@@H]1c1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000252129956 644836942 /nfs/dbraw/zinc/83/69/42/644836942.db2.gz LWPPHZDTQKJINJ-RGOKHQFPSA-N 1 0 221.304 2.035 10 0 BEAERO C/C=C(/C)C[NH2+][C@H]1CC(=O)N(CC(C)(C)C)C1 ZINC000096865413 644843195 /nfs/dbraw/zinc/84/31/95/644843195.db2.gz DLGIDEXMDSOLAR-DSDFTUOUSA-N 1 0 238.375 2.189 10 0 BEAERO CC[C@H](C)c1noc([C@@H]2CC[NH2+][C@H]2C)n1 ZINC000252599113 644868435 /nfs/dbraw/zinc/86/84/35/644868435.db2.gz KMBHDOSTHQFRRD-XHNCKOQMSA-N 1 0 209.293 2.049 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000253130763 644939101 /nfs/dbraw/zinc/93/91/01/644939101.db2.gz VXKVVNDRMISVSW-QWHCGFSZSA-N 1 0 239.359 2.245 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOC1CCCCC1 ZINC000701327897 712020258 /nfs/dbraw/zinc/02/02/58/712020258.db2.gz XDNXHJBFDYPBOB-STQMWFEESA-N 1 0 241.375 2.181 10 0 BEAERO COC1CC(C[NH2+][C@@H](C)c2cncs2)C1 ZINC000705460048 712131944 /nfs/dbraw/zinc/13/19/44/712131944.db2.gz XQJFGGLZWAJWON-IDKOKCKLSA-N 1 0 226.345 2.219 10 0 BEAERO COc1cc(C[NH2+]C2CC(SC)C2)sn1 ZINC000706866577 712156948 /nfs/dbraw/zinc/15/69/48/712156948.db2.gz NVJFQKVGQAERIG-UHFFFAOYSA-N 1 0 244.385 2.135 10 0 BEAERO CC(C)(O)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708977144 712205196 /nfs/dbraw/zinc/20/51/96/712205196.db2.gz ZXPICPWVOCBOGL-SECBINFHSA-N 1 0 225.254 2.032 10 0 BEAERO CN(CCCCCC[NH3+])c1ncccc1F ZINC000710762099 712256193 /nfs/dbraw/zinc/25/61/93/712256193.db2.gz ZOGASURBVYGTGX-UHFFFAOYSA-N 1 0 225.311 2.176 10 0 BEAERO COCC1CC([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000714008370 712477388 /nfs/dbraw/zinc/47/73/88/712477388.db2.gz SIHAJFKNRUHCTQ-CPCZMJQVSA-N 1 0 239.359 2.103 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000714346289 712483349 /nfs/dbraw/zinc/48/33/49/712483349.db2.gz XRMVKIIMDSTLTR-NEPJUHHUSA-N 1 0 243.391 2.331 10 0 BEAERO Cc1c(C[NH2+]CC[C@H]2CCCS2)cnn1C ZINC000715792616 712532176 /nfs/dbraw/zinc/53/21/76/712532176.db2.gz SAEUDZFVBMUHFZ-GFCCVEGCSA-N 1 0 239.388 2.104 10 0 BEAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1cn(C)nn1 ZINC000715901564 712541231 /nfs/dbraw/zinc/54/12/31/712541231.db2.gz KPBUMNDPVHGDLH-HSOILSAZSA-N 1 0 222.336 2.044 10 0 BEAERO CCCC[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000715946141 712545068 /nfs/dbraw/zinc/54/50/68/712545068.db2.gz WXOFSCHFMCZZIT-NSHDSACASA-N 1 0 215.337 2.165 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717274564 712641704 /nfs/dbraw/zinc/64/17/04/712641704.db2.gz QUDGFFVDMHNYRF-NEPJUHHUSA-N 1 0 243.391 2.188 10 0 BEAERO C[C@H](CCCC[NH3+])Nc1cccc(F)n1 ZINC000380019143 712671301 /nfs/dbraw/zinc/67/13/01/712671301.db2.gz NSUJLQOMHJKIAJ-SECBINFHSA-N 1 0 211.284 2.150 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000718838598 712785228 /nfs/dbraw/zinc/78/52/28/712785228.db2.gz BMYRVTYFWSRWBA-FQUUOJAGSA-N 1 0 241.375 2.085 10 0 BEAERO COC[C@H](O)CC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719236827 712800685 /nfs/dbraw/zinc/80/06/85/712800685.db2.gz LRLWBEHGRWAEMQ-CHWSQXEVSA-N 1 0 243.391 2.332 10 0 BEAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719222592 712800838 /nfs/dbraw/zinc/80/08/38/712800838.db2.gz CKOZMMKOERVBDW-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO COC[C@@H](C[N@@H+]1CCC[C@H]1CCCO)C(C)C ZINC000721968111 710695428 /nfs/dbraw/zinc/69/54/28/710695428.db2.gz RJBYURNKUOGNRM-KGLIPLIRSA-N 1 0 243.391 2.142 10 0 BEAERO CC(C)c1cc(N2C3CCC2(C[NH3+])CC3)ncn1 ZINC000722985511 710723663 /nfs/dbraw/zinc/72/36/63/710723663.db2.gz DJVBBHUNBBLYHA-UHFFFAOYSA-N 1 0 246.358 2.060 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CNc1nccc(C(C)(C)C)n1 ZINC000723801202 710732465 /nfs/dbraw/zinc/73/24/65/710732465.db2.gz IQVMUIILLBBAJF-MNOVXSKESA-N 1 0 248.374 2.042 10 0 BEAERO C[C@@H]1CN(c2nc3ccccc3o2)C[C@H]1CC[NH3+] ZINC000723912393 710733955 /nfs/dbraw/zinc/73/39/55/710733955.db2.gz OHQHDDZXVBSLLJ-GHMZBOCLSA-N 1 0 245.326 2.249 10 0 BEAERO C[C@@H]1CC(C[NH2+]C[C@@H]2CCC=CO2)C[C@@H](C)O1 ZINC000724288277 710737745 /nfs/dbraw/zinc/73/77/45/710737745.db2.gz QWPQQDIKCQEISK-BZPMIXESSA-N 1 0 239.359 2.472 10 0 BEAERO COc1cccc(-c2cnn(CCC[NH3+])c2)c1F ZINC000381139661 710603996 /nfs/dbraw/zinc/60/39/96/710603996.db2.gz QYKVQXWBBOWLTK-UHFFFAOYSA-N 1 0 249.289 2.047 10 0 BEAERO Nc1cccc([C@@H]2CCn3cc[nH+]c3N2)c1 ZINC000236386300 711493435 /nfs/dbraw/zinc/49/34/35/711493435.db2.gz XFDGMNJEUSSGIF-NSHDSACASA-N 1 0 214.272 2.022 10 0 BEAERO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000134290209 711498452 /nfs/dbraw/zinc/49/84/52/711498452.db2.gz IYTZMLJZRSCLNN-CABZTGNLSA-N 1 0 237.347 2.036 10 0 BEAERO COCC1CC([NH2+][C@H]2CCCC23CC3)C1 ZINC000713996566 711500966 /nfs/dbraw/zinc/50/09/66/711500966.db2.gz WMBSLFHIYYXBHT-MCIGGMRASA-N 1 0 209.333 2.334 10 0 BEAERO Cc1cc(C)nc(C[N@H+]2C[C@H](O)CC[C@@H]2C)c1 ZINC000723842906 711538702 /nfs/dbraw/zinc/53/87/02/711538702.db2.gz UNIWCCWBCOTCHW-GXTWGEPZSA-N 1 0 234.343 2.044 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CCC1CC=CC1 ZINC000724198189 711568855 /nfs/dbraw/zinc/56/88/55/711568855.db2.gz DLMCCXLGWOIGDD-LBPRGKRZSA-N 1 0 211.349 2.339 10 0 BEAERO COCC[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000134787324 711558895 /nfs/dbraw/zinc/55/88/95/711558895.db2.gz DXCRXTBGTKQCSS-LLVKDONJSA-N 1 0 223.316 2.301 10 0 BEAERO Cc1cnc(C[NH2+]C[C@@H]2C[C@H]2C)c(C)c1 ZINC000724087630 711560072 /nfs/dbraw/zinc/56/00/72/711560072.db2.gz XCYLHYLLJJOVTH-PWSUYJOCSA-N 1 0 204.317 2.444 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(C)c1 ZINC000724094890 711560507 /nfs/dbraw/zinc/56/05/07/711560507.db2.gz CQVBSEOWAMUISB-DZGCQCFKSA-N 1 0 246.354 2.356 10 0 BEAERO CC[C@H]1COC[C@@H]1[NH2+]Cc1ncc(C)cc1C ZINC000724097952 711560518 /nfs/dbraw/zinc/56/05/18/711560518.db2.gz NMJMLJDVRWQTNY-JSGCOSHPSA-N 1 0 234.343 2.213 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(C)c1 ZINC000724094893 711560576 /nfs/dbraw/zinc/56/05/76/711560576.db2.gz CQVBSEOWAMUISB-ZFWWWQNUSA-N 1 0 246.354 2.356 10 0 BEAERO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000724190000 711567956 /nfs/dbraw/zinc/56/79/56/711567956.db2.gz WGZHDJVRVPRDEK-RRFJBIMHSA-N 1 0 249.354 2.003 10 0 BEAERO C[C@H]1OC[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)[C@@H]1C ZINC000724264664 711573284 /nfs/dbraw/zinc/57/32/84/711573284.db2.gz MISNQLGDKWWWQQ-CBLPJQPBSA-N 1 0 241.375 2.203 10 0 BEAERO Cc1cc2ccccc2nc1N(C)C[C@H](C)[NH3+] ZINC000111375726 711587326 /nfs/dbraw/zinc/58/73/26/711587326.db2.gz NUFPRNAHHGJMBD-NSHDSACASA-N 1 0 229.327 2.327 10 0 BEAERO O[C@H](C[NH2+]CC1(F)CC1)c1cccc(Cl)c1 ZINC000309478380 711684543 /nfs/dbraw/zinc/68/45/43/711684543.db2.gz CRKYLWRXYOXFLU-LLVKDONJSA-N 1 0 243.709 2.465 10 0 BEAERO C[C@H]1CCC[C@]1(O)C[NH2+]CCc1ccccc1 ZINC000328125696 711689946 /nfs/dbraw/zinc/68/99/46/711689946.db2.gz UABBQYBGSGMVQI-ZFWWWQNUSA-N 1 0 233.355 2.370 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)cc(Cl)n1 ZINC000309962880 711700197 /nfs/dbraw/zinc/70/01/97/711700197.db2.gz MDPVYTUVLKMKBB-MWLCHTKSSA-N 1 0 240.734 2.310 10 0 BEAERO CC(C)C1CC([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000232539091 711709538 /nfs/dbraw/zinc/70/95/38/711709538.db2.gz YEWOOMWQOCWLDG-POOIEITISA-N 1 0 211.349 2.314 10 0 BEAERO CCCn1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000722374272 711751645 /nfs/dbraw/zinc/75/16/45/711751645.db2.gz HTVCYUSBELEGMH-NEPJUHHUSA-N 1 0 236.363 2.093 10 0 BEAERO Cc1ccccc1CCc1nc([C@@H](C)C[NH3+])no1 ZINC000054158527 711766114 /nfs/dbraw/zinc/76/61/14/711766114.db2.gz XOPHYKGHPGGSRO-NSHDSACASA-N 1 0 245.326 2.225 10 0 BEAERO Cc1cccc(CCc2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158489 711766146 /nfs/dbraw/zinc/76/61/46/711766146.db2.gz YJVCJDPXZVHHNG-NSHDSACASA-N 1 0 245.326 2.225 10 0 BEAERO Cc1ccc(C)c(Cc2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158511 711766177 /nfs/dbraw/zinc/76/61/77/711766177.db2.gz ZZIHUHPEHXSSQE-NSHDSACASA-N 1 0 245.326 2.339 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2ccc3c(c2)CCC3)n1 ZINC000054158610 711766277 /nfs/dbraw/zinc/76/62/77/711766277.db2.gz YUOFBYHPHWKHNB-SECBINFHSA-N 1 0 243.310 2.288 10 0 BEAERO CN(CCc1cccs1)c1cc[nH+]cc1CO ZINC000126537461 711768606 /nfs/dbraw/zinc/76/86/06/711768606.db2.gz PFCMOHJQUXKYDC-UHFFFAOYSA-N 1 0 248.351 2.314 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1Nc1ncc(Cl)cc1F ZINC000721936000 711940686 /nfs/dbraw/zinc/94/06/86/711940686.db2.gz WHDYTFLXIAXIOP-VIFPVBQESA-N 1 0 243.713 2.284 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000700467774 711994014 /nfs/dbraw/zinc/99/40/14/711994014.db2.gz YTGSHKVPTYXDBW-ADEWGFFLSA-N 1 0 249.358 2.405 10 0 BEAERO COC1CC(C[NH2+][C@H](C)c2cncs2)C1 ZINC000705460050 712132270 /nfs/dbraw/zinc/13/22/70/712132270.db2.gz XQJFGGLZWAJWON-XNWIYYODSA-N 1 0 226.345 2.219 10 0 BEAERO C[C@@H](C[NH3+])c1noc([C@@H]2CCCC23CC3)n1 ZINC000706284278 712143966 /nfs/dbraw/zinc/14/39/66/712143966.db2.gz LRGWHVAQTTZZDT-IUCAKERBSA-N 1 0 221.304 2.180 10 0 BEAERO CSC1CC([NH2+]Cc2ccccn2)C1 ZINC000706878175 712157760 /nfs/dbraw/zinc/15/77/60/712157760.db2.gz SLVMPQJBQXSHJG-UHFFFAOYSA-N 1 0 208.330 2.065 10 0 BEAERO CSC1CC([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000706881160 712158518 /nfs/dbraw/zinc/15/85/18/712158518.db2.gz ZUWJSYGNLOJFDE-SFXRXQKFSA-N 1 0 215.362 2.038 10 0 BEAERO CCCCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708942251 712203067 /nfs/dbraw/zinc/20/30/67/712203067.db2.gz BMLCGBXDVQGCGU-QWHCGFSZSA-N 1 0 228.380 2.005 10 0 BEAERO CCC[C@H](C)N1CCc2sc(C[NH3+])nc2C1 ZINC000709754605 712217312 /nfs/dbraw/zinc/21/73/12/712217312.db2.gz KMNUBQMZVOKQIA-VIFPVBQESA-N 1 0 239.388 2.149 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cn(C)cn1 ZINC000709988421 712237829 /nfs/dbraw/zinc/23/78/29/712237829.db2.gz YXRCNGDRVYFPQC-GMTAPVOTSA-N 1 0 207.321 2.259 10 0 BEAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000710991655 712272746 /nfs/dbraw/zinc/27/27/46/712272746.db2.gz ZKHOFCYCXFGZPM-KBPBESRZSA-N 1 0 247.338 2.415 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711007198 712274184 /nfs/dbraw/zinc/27/41/84/712274184.db2.gz FCIHDBDYFLAJBW-XJFOESAGSA-N 1 0 222.376 2.249 10 0 BEAERO CC[C@@H](C)c1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000711076047 712278726 /nfs/dbraw/zinc/27/87/26/712278726.db2.gz VGOJNUTXBYLCLC-BDAKNGLRSA-N 1 0 223.320 2.296 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711116992 712281975 /nfs/dbraw/zinc/28/19/75/712281975.db2.gz DVCXQANQSXPNNR-KIJLLGNVSA-N 1 0 209.333 2.332 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CCOC2CC2)o1 ZINC000711734417 712321197 /nfs/dbraw/zinc/32/11/97/712321197.db2.gz WCUSHZLXFKIDBY-JTQLQIEISA-N 1 0 209.289 2.418 10 0 BEAERO C[C@H]([NH2+][C@@H]1COc2ccccc21)[C@@H]1CCCO1 ZINC000379765560 712398027 /nfs/dbraw/zinc/39/80/27/712398027.db2.gz IHNWKWIMOKRYGR-UHTWSYAYSA-N 1 0 233.311 2.277 10 0 BEAERO Cc1c(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)cnn1C ZINC000712359075 712403003 /nfs/dbraw/zinc/40/30/03/712403003.db2.gz FBOSTUMUNHVVJE-FPMFFAJLSA-N 1 0 233.359 2.397 10 0 BEAERO Cc1nocc1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000713485677 712462165 /nfs/dbraw/zinc/46/21/65/712462165.db2.gz NTUODSAUKSZSCJ-CHWSQXEVSA-N 1 0 236.315 2.032 10 0 BEAERO C=C/C=C/CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000713742869 712471111 /nfs/dbraw/zinc/47/11/11/712471111.db2.gz COWNLAIEWBTRFG-XGACYXMMSA-N 1 0 220.360 2.289 10 0 BEAERO COCC1CC([NH2+]C2Cc3ccccc3C2)C1 ZINC000713934979 712473629 /nfs/dbraw/zinc/47/36/29/712473629.db2.gz IAHYRKURWANHJU-UHFFFAOYSA-N 1 0 231.339 2.168 10 0 BEAERO COCC1CC([NH2+]Cc2ccc(OC)cc2)C1 ZINC000713936258 712474148 /nfs/dbraw/zinc/47/41/48/712474148.db2.gz WOXYLRSOQYFWQW-UHFFFAOYSA-N 1 0 235.327 2.210 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000713951976 712474713 /nfs/dbraw/zinc/47/47/13/712474713.db2.gz FCWBGIIJYAVPHU-TTXORMCVSA-N 1 0 238.306 2.296 10 0 BEAERO COCC1CC([NH2+]Cc2cccs2)C1 ZINC000713983914 712475970 /nfs/dbraw/zinc/47/59/70/712475970.db2.gz GYLIJONKJCPEBZ-UHFFFAOYSA-N 1 0 211.330 2.263 10 0 BEAERO COCc1cccc(C[NH2+]C2CC(COC)C2)c1 ZINC000713984037 712476278 /nfs/dbraw/zinc/47/62/78/712476278.db2.gz JHAIYUXKYHCZTR-UHFFFAOYSA-N 1 0 249.354 2.348 10 0 BEAERO COCC1CC([NH2+]Cc2ccsc2)C1 ZINC000713987489 712476336 /nfs/dbraw/zinc/47/63/36/712476336.db2.gz ZJXBKJJNCWCQCV-UHFFFAOYSA-N 1 0 211.330 2.263 10 0 BEAERO COCC1CC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000713987583 712476525 /nfs/dbraw/zinc/47/65/25/712476525.db2.gz ZWFSNIYAFRQYHF-IAFLXDRLSA-N 1 0 223.360 2.437 10 0 BEAERO COCC1CC([NH2+]C(C2CC2)C2CC2)C1 ZINC000713996667 712477076 /nfs/dbraw/zinc/47/70/76/712477076.db2.gz NOFULKBDOFXFEF-UHFFFAOYSA-N 1 0 209.333 2.190 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2ccncc2)C1 ZINC000714008373 712477488 /nfs/dbraw/zinc/47/74/88/712477488.db2.gz SITGJUZDKCDTKE-ZBOXLXRLSA-N 1 0 220.316 2.157 10 0 BEAERO CCC1([NH3+])CCN([C@@H](C)c2cscn2)CC1 ZINC000714756327 712497592 /nfs/dbraw/zinc/49/75/92/712497592.db2.gz CHKNVVOEQVDPTK-JTQLQIEISA-N 1 0 239.388 2.407 10 0 BEAERO CCC1([NH3+])CCN([C@H](C)c2cccnc2)CC1 ZINC000714756194 712498018 /nfs/dbraw/zinc/49/80/18/712498018.db2.gz BCISUPQFWPDPJP-GFCCVEGCSA-N 1 0 233.359 2.346 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCN1CCCC1 ZINC000036852340 712502444 /nfs/dbraw/zinc/50/24/44/712502444.db2.gz SGOLBOVYHMHNBN-AWEZNQCLSA-N 1 0 246.354 2.065 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]CCN1CCCC1 ZINC000036852342 712502625 /nfs/dbraw/zinc/50/26/25/712502625.db2.gz SGOLBOVYHMHNBN-CQSZACIVSA-N 1 0 246.354 2.065 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NC1CCCCCCC1 ZINC000036872758 712506449 /nfs/dbraw/zinc/50/64/49/712506449.db2.gz WPAFCKJRFGMKFO-LBPRGKRZSA-N 1 0 226.364 2.343 10 0 BEAERO CCCCCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715482221 712520693 /nfs/dbraw/zinc/52/06/93/712520693.db2.gz GTSVBYXRARTGPN-TZMCWYRMSA-N 1 0 238.375 2.073 10 0 BEAERO c1ccc(CC[NH2+][C@H]2CCCC23OCCO3)cc1 ZINC000715600328 712527676 /nfs/dbraw/zinc/52/76/76/712527676.db2.gz WHCZKCFQASPQJR-AWEZNQCLSA-N 1 0 247.338 2.114 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC000715816257 712533419 /nfs/dbraw/zinc/53/34/19/712533419.db2.gz XPXOABUGSYENSO-CMPLNLGQSA-N 1 0 240.734 2.128 10 0 BEAERO C[C@@H]1CC[C@H](Nc2nccc3cccnc32)C[NH2+]1 ZINC000716918555 712582387 /nfs/dbraw/zinc/58/23/87/712582387.db2.gz QJEDURGECZFGMF-PWSUYJOCSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)[C@H](C)O ZINC000379917750 712626750 /nfs/dbraw/zinc/62/67/50/712626750.db2.gz DUKRAAZYDRHBIA-RQJHMYQMSA-N 1 0 249.141 2.247 10 0 BEAERO CS[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000380003921 712651888 /nfs/dbraw/zinc/65/18/88/712651888.db2.gz KRSBTSKVLTVDCH-HBNTYKKESA-N 1 0 231.405 2.267 10 0 BEAERO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCn1cncn1 ZINC000717454037 712658792 /nfs/dbraw/zinc/65/87/92/712658792.db2.gz JDSVBZUMCWPWEB-VXGBXAGGSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCC(C)(F)F ZINC000718686605 712777407 /nfs/dbraw/zinc/77/74/07/712777407.db2.gz IAGVCMDBXFOCBJ-ZJUUUORDSA-N 1 0 221.291 2.267 10 0 BEAERO CC(C)[NH2+]CCCNc1ccnc2ncccc12 ZINC000718930996 712788747 /nfs/dbraw/zinc/78/87/47/712788747.db2.gz URVJBFBLQNPNAY-UHFFFAOYSA-N 1 0 244.342 2.430 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718978320 712790952 /nfs/dbraw/zinc/79/09/52/712790952.db2.gz CGIDTYBBXKGKSM-VXGBXAGGSA-N 1 0 227.348 2.116 10 0 BEAERO c1cnc2nccc(NCC[C@H]3CC[NH2+]C3)c2c1 ZINC000718980746 712791230 /nfs/dbraw/zinc/79/12/30/712791230.db2.gz DWBQZEMQFPDZBO-LLVKDONJSA-N 1 0 242.326 2.041 10 0 BEAERO CC(C)[C@H](C)[NH+]1CCC(C2OCCO2)CC1 ZINC000718974946 712791265 /nfs/dbraw/zinc/79/12/65/712791265.db2.gz LHOVHTYBEVFMQM-NSHDSACASA-N 1 0 227.348 2.116 10 0 BEAERO c1cnc2nccc(NC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000718982727 712791602 /nfs/dbraw/zinc/79/16/02/712791602.db2.gz VTZFQBZNBUDJJD-LLVKDONJSA-N 1 0 242.326 2.041 10 0 BEAERO CCC[C@H](C)C[NH2+]CCC(=O)N[C@H](C)CC ZINC000038013864 712798464 /nfs/dbraw/zinc/79/84/64/712798464.db2.gz QBMDBGKCAKMOJF-NWDGAFQWSA-N 1 0 228.380 2.317 10 0 BEAERO CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719191408 712799695 /nfs/dbraw/zinc/79/96/95/712799695.db2.gz SQDBGJHBLPRWMG-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@H]1CNC(=O)C1 ZINC000719235949 712800715 /nfs/dbraw/zinc/80/07/15/712800715.db2.gz INQZWRCBWUYULL-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)c1nccnc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719780525 712824492 /nfs/dbraw/zinc/82/44/92/712824492.db2.gz GVWWHDQUAIYMII-MNOVXSKESA-N 1 0 234.347 2.105 10 0 BEAERO CC(C)c1nccnc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719780523 712824569 /nfs/dbraw/zinc/82/45/69/712824569.db2.gz GVWWHDQUAIYMII-GHMZBOCLSA-N 1 0 234.347 2.105 10 0 BEAERO Cc1cc(C[NH2+]C[C@]23CCC[C@H]2OCC3)no1 ZINC000720418965 712841248 /nfs/dbraw/zinc/84/12/48/712841248.db2.gz FOHSZQBCBOBSAH-CHWSQXEVSA-N 1 0 236.315 2.032 10 0 BEAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000720603415 712858001 /nfs/dbraw/zinc/85/80/01/712858001.db2.gz QFTNRKITQYKWRX-CYZMBNFOSA-N 1 0 248.374 2.458 10 0 BEAERO CC1(C[NH2+][C@@H]2CCCC[C@H]2O)CC(F)(F)C1 ZINC000720949970 712881959 /nfs/dbraw/zinc/88/19/59/712881959.db2.gz SGPAKTNTGQWACB-NXEZZACHSA-N 1 0 233.302 2.315 10 0 BEAERO C[N@@H+](Cc1ccnc(Cl)c1)C[C@H]1CCCO1 ZINC000051924519 959757599 /nfs/dbraw/zinc/75/75/99/959757599.db2.gz KTANDWNBQMPUMX-LLVKDONJSA-N 1 0 240.734 2.346 10 0 BEAERO Cc1ccccc1C[NH2+]CCOC[C@H]1CCCO1 ZINC000115625448 1166023801 /nfs/dbraw/zinc/02/38/01/1166023801.db2.gz UYIGLASNGGGFIA-OAHLLOKOSA-N 1 0 249.354 2.280 10 0 BEAERO CCc1ccccc1C[NH2+]CC[S@@](=O)CC ZINC000217329252 1168261180 /nfs/dbraw/zinc/26/11/80/1168261180.db2.gz BTIQWRRIZYZTHZ-INIZCTEOSA-N 1 0 239.384 2.107 10 0 BEAERO CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000055086172 1169141915 /nfs/dbraw/zinc/14/19/15/1169141915.db2.gz IVYSLXAEOJKRAH-STQMWFEESA-N 1 0 238.375 2.295 10 0 BEAERO CC(C)C[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055087103 1169142239 /nfs/dbraw/zinc/14/22/39/1169142239.db2.gz IFPYXPBXTJSIPQ-SRVKXCTJSA-N 1 0 226.364 2.055 10 0 BEAERO CCC[C@H](C)N(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055087659 1169143342 /nfs/dbraw/zinc/14/33/42/1169143342.db2.gz ZKFZXFIBIOGHTR-SRVKXCTJSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+]CCOCC(C)C ZINC000219117129 961131532 /nfs/dbraw/zinc/13/15/32/961131532.db2.gz KJRBTKWQJOATSA-LBPRGKRZSA-N 1 0 237.347 2.108 10 0 BEAERO CC(C)(C)[NH2+]CC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000051380687 963090195 /nfs/dbraw/zinc/09/01/95/963090195.db2.gz ZAHCHFHEWWRZSO-QWHCGFSZSA-N 1 0 246.354 2.047 10 0 BEAERO CN1CC[C@H]([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000042545539 964827250 /nfs/dbraw/zinc/82/72/50/964827250.db2.gz WMBGAEJLUGRVLQ-CPCZMJQVSA-N 1 0 248.345 2.365 10 0 BEAERO Cc1ccccc1[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000044117179 985241036 /nfs/dbraw/zinc/24/10/36/985241036.db2.gz AMXSWCZPXBVVIO-VNHYZAJKSA-N 1 0 249.354 2.138 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCCN1C)c1ccccn1 ZINC000044562052 1171392103 /nfs/dbraw/zinc/39/21/03/1171392103.db2.gz DQFBLTRVAWEUDJ-STQMWFEESA-N 1 0 233.359 2.217 10 0 BEAERO CN1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000044562005 1171392368 /nfs/dbraw/zinc/39/23/68/1171392368.db2.gz LSNZHPHEYNNHEL-LBPRGKRZSA-N 1 0 224.373 2.322 10 0 BEAERO c1cn(CCCCNc2cc[nH+]cc2)cn1 ZINC000045108319 1171435356 /nfs/dbraw/zinc/43/53/56/1171435356.db2.gz GCMABUBOIKTXJU-UHFFFAOYSA-N 1 0 216.288 2.170 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000049948612 1171754813 /nfs/dbraw/zinc/75/48/13/1171754813.db2.gz JDQXISSIVABTBI-MNOVXSKESA-N 1 0 226.345 2.109 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@](C)(CC)C1 ZINC000399372881 262782631 /nfs/dbraw/zinc/78/26/31/262782631.db2.gz MVYPUEGDTQKVDJ-KGLIPLIRSA-N 1 0 243.391 2.286 10 0 BEAERO C[C@@H]1C[C@]2(CC(C)(C)C1)C(=O)CC[N@H+]2C ZINC000685954566 538899370 /nfs/dbraw/zinc/89/93/70/538899370.db2.gz OHOAXCVQODNSEP-GWCFXTLKSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1cc(C)cc([C@H](C)N2CC[NH2+]CC2)c1 ZINC000082536977 177916877 /nfs/dbraw/zinc/91/68/77/177916877.db2.gz QSMWCJYEPYXVSW-ZDUSSCGKSA-N 1 0 218.344 2.270 10 0 BEAERO C[C@H](COCC(F)(F)C[NH3+])C1CCC1 ZINC000685955389 538901376 /nfs/dbraw/zinc/90/13/76/538901376.db2.gz DAJPTDDOHAHNOC-MRVPVSSYSA-N 1 0 207.264 2.033 10 0 BEAERO CC1CCC(OCC(F)(F)C[NH3+])CC1 ZINC000685956487 538902706 /nfs/dbraw/zinc/90/27/06/538902706.db2.gz VGKBHMVBVCTDTD-UHFFFAOYSA-N 1 0 207.264 2.176 10 0 BEAERO CC[C@]1(C(=O)OC(C)(C)C)CCC[C@@H]1[NH3+] ZINC000685958640 538905809 /nfs/dbraw/zinc/90/58/09/538905809.db2.gz BZGSIAAHBVWINA-CABZTGNLSA-N 1 0 213.321 2.236 10 0 BEAERO CC[C@]1(C(=O)OC(C)(C)C)CCC[C@H]1[NH3+] ZINC000685958642 538905946 /nfs/dbraw/zinc/90/59/46/538905946.db2.gz BZGSIAAHBVWINA-SKDRFNHKSA-N 1 0 213.321 2.236 10 0 BEAERO CC(C)(C)OC(=O)[C@@]1(C)CC(C)(C)C[C@@H]1[NH3+] ZINC000685959879 538907212 /nfs/dbraw/zinc/90/72/12/538907212.db2.gz UHDCGCOBGZKWOA-ZANVPECISA-N 1 0 227.348 2.482 10 0 BEAERO CC(C)[C@@]1(CO)C[C@@H]1C[NH+]1CCCCC1 ZINC000685961335 538908041 /nfs/dbraw/zinc/90/80/41/538908041.db2.gz QRKBBUAEFZICFX-OLZOCXBDSA-N 1 0 211.349 2.127 10 0 BEAERO CC(C)[C@@]1(CO)C[C@@H]1C[NH2+]Cc1ccccc1 ZINC000685961815 538908719 /nfs/dbraw/zinc/90/87/19/538908719.db2.gz WQSUJEYFMKDCPZ-CABCVRRESA-N 1 0 233.355 2.431 10 0 BEAERO C[NH2+]CC(=O)C[C@H](C)COCc1ccccc1 ZINC000685962476 538909325 /nfs/dbraw/zinc/90/93/25/538909325.db2.gz JQBCVQSABKSXLD-LBPRGKRZSA-N 1 0 235.327 2.018 10 0 BEAERO C[NH2+]CC[C@@H](CO)C1CCC(C)(C)CC1 ZINC000685963107 538910146 /nfs/dbraw/zinc/91/01/46/538910146.db2.gz GLFNISHVBLYWTI-LBPRGKRZSA-N 1 0 213.365 2.421 10 0 BEAERO Cc1cc(C)n([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000023071891 177932315 /nfs/dbraw/zinc/93/23/15/177932315.db2.gz KDALTEBRNZTTTJ-NWDGAFQWSA-N 1 0 207.321 2.332 10 0 BEAERO CC[NH2+]CC[C@H](CO)[C@@H]1CCC[C@@H](C)C1 ZINC000685963931 538910801 /nfs/dbraw/zinc/91/08/01/538910801.db2.gz ZSIRCTWHBUDUJF-JHJVBQTASA-N 1 0 213.365 2.421 10 0 BEAERO C=C(OCC)c1sc(C[NH2+]C)nc1C ZINC000685965122 538911635 /nfs/dbraw/zinc/91/16/35/538911635.db2.gz PJOLAVBTICJLLC-UHFFFAOYSA-N 1 0 212.318 2.178 10 0 BEAERO CCCc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685965359 538911922 /nfs/dbraw/zinc/91/19/22/538911922.db2.gz BALJASYZGZYNFY-KGLIPLIRSA-N 1 0 218.344 2.043 10 0 BEAERO CC(C)c1cccc([C@@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965363 538912142 /nfs/dbraw/zinc/91/21/42/538912142.db2.gz BDRAOLJIMOXIGA-KBPBESRZSA-N 1 0 218.344 2.214 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)NCCC1CCCC1 ZINC000044763087 168321058 /nfs/dbraw/zinc/32/10/58/168321058.db2.gz PINCRURHCQWZLR-UHFFFAOYSA-N 1 0 240.391 2.448 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000378693994 346809527 /nfs/dbraw/zinc/80/95/27/346809527.db2.gz KDASVDATUQJTTP-OXHZDVMGSA-N 1 0 222.376 2.247 10 0 BEAERO CCC(CC)(CN)[N@H+](C)CCc1ccncc1 ZINC000048259722 168322270 /nfs/dbraw/zinc/32/22/70/168322270.db2.gz AWKAQRUVKDGSHM-UHFFFAOYSA-N 1 0 235.375 2.073 10 0 BEAERO CCC(CC)(CN)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000019807812 168322944 /nfs/dbraw/zinc/32/29/44/168322944.db2.gz JHKTUUTYIVTHPT-RYUDHWBXSA-N 1 0 212.381 2.482 10 0 BEAERO CCC(CC)(C[NH2+]C)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000051209746 168325939 /nfs/dbraw/zinc/32/59/39/168325939.db2.gz GFSRYYSLOCBPTD-BETUJISGSA-N 1 0 242.407 2.121 10 0 BEAERO COC(=O)C[C@H]1[NH2+]CCc2cc(Cl)ccc21 ZINC000258151822 349493243 /nfs/dbraw/zinc/49/32/43/349493243.db2.gz FCDDDMJUWQDWNR-LLVKDONJSA-N 1 0 239.702 2.090 10 0 BEAERO Cc1cc(C[NH3+])c(C)n1-c1nccs1 ZINC000082640484 177982293 /nfs/dbraw/zinc/98/22/93/177982293.db2.gz YGHXYECFRRXVRI-UHFFFAOYSA-N 1 0 207.302 2.009 10 0 BEAERO OCC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000161608716 349484372 /nfs/dbraw/zinc/48/43/72/349484372.db2.gz KJLXIKYSJPOJOL-LLVKDONJSA-N 1 0 223.291 2.030 10 0 BEAERO CCC(CC)C(=O)N(C)CCC1CC[NH2+]CC1 ZINC000048259808 168332698 /nfs/dbraw/zinc/33/26/98/168332698.db2.gz MNPYNVOZNSPKBH-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO Cc1cc(C[NH2+]CCc2nccs2)c(C)n1C ZINC000063133956 178022353 /nfs/dbraw/zinc/02/23/53/178022353.db2.gz XBXHCXVOUGNAIK-UHFFFAOYSA-N 1 0 249.383 2.431 10 0 BEAERO COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)o1 ZINC000125427778 398151752 /nfs/dbraw/zinc/15/17/52/398151752.db2.gz FBJBZWBMGYOEAL-GWCFXTLKSA-N 1 0 239.315 2.083 10 0 BEAERO Cc1cc(C[NH2+]C(C)C)nc(C(C)C)n1 ZINC000054831632 178016511 /nfs/dbraw/zinc/01/65/11/178016511.db2.gz WRCRAVVBTXVMTQ-UHFFFAOYSA-N 1 0 207.321 2.406 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)ccc1F ZINC000089160710 178025439 /nfs/dbraw/zinc/02/54/39/178025439.db2.gz IZMPZBWWAHWMKQ-TZMCWYRMSA-N 1 0 237.318 2.385 10 0 BEAERO CCC(CC)C(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019482459 168337831 /nfs/dbraw/zinc/33/78/31/168337831.db2.gz OROOEAZCDMJLHE-LBPRGKRZSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)cs1 ZINC000285817395 178035715 /nfs/dbraw/zinc/03/57/15/178035715.db2.gz HTYKYMDNYLVUTJ-MWLCHTKSSA-N 1 0 211.330 2.324 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc(C)c1O ZINC000132406733 178035856 /nfs/dbraw/zinc/03/58/56/178035856.db2.gz UFDWTDCBQPFNEQ-MCIONIFRSA-N 1 0 247.338 2.419 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)c(C)n1C ZINC000052790255 178040222 /nfs/dbraw/zinc/04/02/22/178040222.db2.gz ZZBYRDRYPKDECI-KBPBESRZSA-N 1 0 236.359 2.035 10 0 BEAERO Brc1cc(CNC2=[NH+]CCC2)co1 ZINC000307566151 398175467 /nfs/dbraw/zinc/17/54/67/398175467.db2.gz NWRIJPMNGKMTOC-UHFFFAOYSA-N 1 0 243.104 2.324 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000390642053 398180793 /nfs/dbraw/zinc/18/07/93/398180793.db2.gz NCZPFQDKRYSXLR-NGDQXYMTSA-N 1 0 241.400 2.284 10 0 BEAERO C[C@H](N(C)C(=O)C1CCC([NH3+])CC1)C1(C)CC1 ZINC000385407386 398160785 /nfs/dbraw/zinc/16/07/85/398160785.db2.gz RJBYMCVFDVSDGD-UNXYVOJBSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1cc(Cl)c(CN(C)CC[NH3+])c(Cl)n1 ZINC000054418282 178060944 /nfs/dbraw/zinc/06/09/44/178060944.db2.gz ZMRJPIGQVDDLHK-UHFFFAOYSA-N 1 0 248.157 2.087 10 0 BEAERO Cc1cc(Cl)c2ncc([C@H](C)[NH3+])n2c1 ZINC000082694152 178061872 /nfs/dbraw/zinc/06/18/72/178061872.db2.gz QZNFIMBARJDBNR-ZETCQYMHSA-N 1 0 209.680 2.316 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616613966 398165245 /nfs/dbraw/zinc/16/52/45/398165245.db2.gz XADISBIBIIEIQF-ZDUSSCGKSA-N 1 0 246.354 2.373 10 0 BEAERO Cc1cc(Cl)ccc1OCCO[C@@H](C)C[NH3+] ZINC000074528080 178069034 /nfs/dbraw/zinc/06/90/34/178069034.db2.gz MQYPOSXUJWUVFR-JTQLQIEISA-N 1 0 243.734 2.391 10 0 BEAERO Cc1cc(Cl)ccc1OCC[C@H](O)CC[NH3+] ZINC000041289572 178069429 /nfs/dbraw/zinc/06/94/29/178069429.db2.gz IGDCRZQUWWHTBA-LLVKDONJSA-N 1 0 243.734 2.127 10 0 BEAERO Cc1cc(Cl)nc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000100258559 178071153 /nfs/dbraw/zinc/07/11/53/178071153.db2.gz KPYSTRKSUJXSNQ-DTORHVGOSA-N 1 0 240.738 2.120 10 0 BEAERO CC1CCC(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000380126026 398188358 /nfs/dbraw/zinc/18/83/58/398188358.db2.gz NSBCRAXJWCKFLW-OTTFEQOBSA-N 1 0 238.375 2.214 10 0 BEAERO Cc1cc(F)ccc1[C@H](C[NH3+])N1CCCC1 ZINC000050578059 178092327 /nfs/dbraw/zinc/09/23/27/178092327.db2.gz QMBRPZFSQFQZNE-ZDUSSCGKSA-N 1 0 222.307 2.230 10 0 BEAERO Cc1cc(F)ccc1[C@@H](O)C1CC[NH2+]CC1 ZINC000036075377 178092454 /nfs/dbraw/zinc/09/24/54/178092454.db2.gz APUCBKDTMBUIOS-ZDUSSCGKSA-N 1 0 223.291 2.167 10 0 BEAERO CC[C@@H]([NH2+]CCc1cn[nH]c1)C(C)(C)C ZINC000289954502 398194309 /nfs/dbraw/zinc/19/43/09/398194309.db2.gz WPRYCQJTPYMHQY-LLVKDONJSA-N 1 0 209.337 2.367 10 0 BEAERO Cc1cc(N(CCC[NH3+])C2CCCC2)nc(C)n1 ZINC000037756768 178102829 /nfs/dbraw/zinc/10/28/29/178102829.db2.gz LQNUCUGIZURAEH-UHFFFAOYSA-N 1 0 248.374 2.191 10 0 BEAERO C[C@]12C[NH2+]C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000521398865 398197278 /nfs/dbraw/zinc/19/72/78/398197278.db2.gz QYDLHLFKHURUHQ-HUUCEWRRSA-N 1 0 230.355 2.118 10 0 BEAERO COc1cccc([C@@H](C[NH3+])C2(CO)CCCC2)c1 ZINC000536954114 398197990 /nfs/dbraw/zinc/19/79/90/398197990.db2.gz NYERREKKGORRDA-CQSZACIVSA-N 1 0 249.354 2.290 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC=C(C)C ZINC000175357278 365546795 /nfs/dbraw/zinc/54/67/95/365546795.db2.gz FHOUQNTUHCDLIB-CYBMUJFWSA-N 1 0 210.365 2.369 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@H]1c1c[nH]nc1N ZINC000616622082 398206791 /nfs/dbraw/zinc/20/67/91/398206791.db2.gz SXOYKZDTAFWFQC-NSHDSACASA-N 1 0 222.336 2.148 10 0 BEAERO CO[C@@H](C(C)C)[C@H]1[NH2+]C(C)(C)CS1 ZINC000306788999 398200478 /nfs/dbraw/zinc/20/04/78/398200478.db2.gz SQTYLPSVRYCMJE-IUCAKERBSA-N 1 0 203.351 2.099 10 0 BEAERO CC1(C(=O)c2cccc(Cl)c2)C[NH2+]C1 ZINC000306589933 398214610 /nfs/dbraw/zinc/21/46/10/398214610.db2.gz UUVXYAHHGGGATH-UHFFFAOYSA-N 1 0 209.676 2.132 10 0 BEAERO F[C@H](c1ccsn1)[C@@H]1CCCC[NH2+]1 ZINC000306605459 398221515 /nfs/dbraw/zinc/22/15/15/398221515.db2.gz PVGGNFIWQSXEKD-CBAPKCEASA-N 1 0 200.282 2.296 10 0 BEAERO Cc1cc(NN)[nH+]c(-c2cc(C)c(O)c(C)c2)n1 ZINC000051168424 178177609 /nfs/dbraw/zinc/17/76/09/178177609.db2.gz KAXCEONPQQYRRA-UHFFFAOYSA-N 1 0 244.298 2.060 10 0 BEAERO Cc1cc(N[C@H]2CCC[N@@H+](C)C2)ccc1N ZINC000040715771 178188677 /nfs/dbraw/zinc/18/86/77/178188677.db2.gz WXTJGSNBCTXQJG-LBPRGKRZSA-N 1 0 219.332 2.083 10 0 BEAERO Cc1cc(N[C@@H]2C[NH+]3CCC2CC3)ccc1N ZINC000035277779 178183091 /nfs/dbraw/zinc/18/30/91/178183091.db2.gz OUWUDTFFDHOJFD-CQSZACIVSA-N 1 0 231.343 2.083 10 0 BEAERO Cc1cc(N[C@@]2(C[NH3+])CCC[C@H](C)C2)nc(C)n1 ZINC000104303449 178184483 /nfs/dbraw/zinc/18/44/83/178184483.db2.gz WGDAOKKFEVXHHK-HZMBPMFUSA-N 1 0 248.374 2.413 10 0 BEAERO CC(C)c1cccc(C[NH2+][C@H](CO)C(C)C)n1 ZINC000097094652 398224135 /nfs/dbraw/zinc/22/41/35/398224135.db2.gz KHRSJIHXZHSARF-CQSZACIVSA-N 1 0 236.359 2.312 10 0 BEAERO Cc1cc(O[C@@H](C[NH3+])C(F)(F)F)ccc1F ZINC000089065011 178213764 /nfs/dbraw/zinc/21/37/64/178213764.db2.gz BRRAKFWQXRIXKS-VIFPVBQESA-N 1 0 237.196 2.403 10 0 BEAERO C[C@]1(C[NH2+][C@@H]2CCC[C@H](O)C2)CCCS1 ZINC000382205032 361781384 /nfs/dbraw/zinc/78/13/84/361781384.db2.gz KBCDFGAZBCXIQV-GRYCIOLGSA-N 1 0 229.389 2.165 10 0 BEAERO C[C@]1(C[NH2+][C@H]2CCC[C@@H](O)C2)CCCS1 ZINC000382205035 361781636 /nfs/dbraw/zinc/78/16/36/361781636.db2.gz KBCDFGAZBCXIQV-QJPTWQEYSA-N 1 0 229.389 2.165 10 0 BEAERO Cc1cc(SC2CCC([NH3+])CC2)n(C)n1 ZINC000055143867 178218095 /nfs/dbraw/zinc/21/80/95/178218095.db2.gz SCRZGWACCIIBDJ-UHFFFAOYSA-N 1 0 225.361 2.091 10 0 BEAERO Cc1cc(S[C@H]2CCCC[C@H]2C[NH3+])n(C)n1 ZINC000052310492 178219769 /nfs/dbraw/zinc/21/97/69/178219769.db2.gz RGNQSNHFQACDGM-QWRGUYRKSA-N 1 0 239.388 2.338 10 0 BEAERO Cc1ncsc1CNC1=[NH+]C[C@@H](C)S1 ZINC000070837391 361781267 /nfs/dbraw/zinc/78/12/67/361781267.db2.gz CFGLWWGHARFGKH-ZCFIWIBFSA-N 1 0 227.358 2.032 10 0 BEAERO Cc1cc([C@@H](O)C[NH2+]C(C)C)ccc1F ZINC000049814985 178239410 /nfs/dbraw/zinc/23/94/10/178239410.db2.gz ASPYOLGHBRUEJU-LBPRGKRZSA-N 1 0 211.280 2.166 10 0 BEAERO CC[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000380095723 488174694 /nfs/dbraw/zinc/17/46/94/488174694.db2.gz OFXSKRQWWZARQP-FRRDWIJNSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1cc([C@H](CO)[NH2+]C(C)C)cc(C)c1O ZINC000038115814 178260548 /nfs/dbraw/zinc/26/05/48/178260548.db2.gz XAIDVUNHQZHGGO-LBPRGKRZSA-N 1 0 223.316 2.040 10 0 BEAERO Cc1cc([C@H](O)C[NH2+]CC(C)C)ccc1F ZINC000049820121 178264249 /nfs/dbraw/zinc/26/42/49/178264249.db2.gz AYGQRFMHNDUNTC-CYBMUJFWSA-N 1 0 225.307 2.413 10 0 BEAERO Cc1cc([C@H](O)C[NH2+]C2CC2)c(C)s1 ZINC000055029444 178264773 /nfs/dbraw/zinc/26/47/73/178264773.db2.gz KDNKLSXMDJRNEG-LLVKDONJSA-N 1 0 211.330 2.150 10 0 BEAERO Cc1cc([C@H]2C[NH2+]C[C@H](C)O2)ccc1F ZINC000071511629 178267933 /nfs/dbraw/zinc/26/79/33/178267933.db2.gz BCCVFHCMWPWVCT-JOYOIKCWSA-N 1 0 209.264 2.184 10 0 BEAERO Cc1cc([C@](C)(O)[C@H]2CCC[NH2+]C2)ccc1F ZINC000071547970 178269914 /nfs/dbraw/zinc/26/99/14/178269914.db2.gz DNNDDHPNWCHTHX-JSGCOSHPSA-N 1 0 237.318 2.341 10 0 BEAERO Cc1cc([C@]2(O)CC[N@@H+](C3CC3)C2)ccc1F ZINC000061988351 178270009 /nfs/dbraw/zinc/27/00/09/178270009.db2.gz JNVFCRQZQCKZCC-AWEZNQCLSA-N 1 0 235.302 2.190 10 0 BEAERO CCC(CC)C[NH2+]CCn1cc(C)cn1 ZINC000122349420 168361630 /nfs/dbraw/zinc/36/16/30/168361630.db2.gz AEXPLZFQFMJGFI-UHFFFAOYSA-N 1 0 209.337 2.217 10 0 BEAERO CCC(CC)C[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000336756192 168362648 /nfs/dbraw/zinc/36/26/48/168362648.db2.gz IPMVIYZOEHFVLJ-DGCLKSJQSA-N 1 0 212.381 2.352 10 0 BEAERO Cc1cc2ccccc2nc1NC1[C@H]2C[NH2+]C[C@@H]12 ZINC000063106268 178298645 /nfs/dbraw/zinc/29/86/45/178298645.db2.gz BXORSWMHNFURMJ-ONXXMXGDSA-N 1 0 239.322 2.173 10 0 BEAERO Cc1cc2ccccc2nc1N(C)[C@H]1CC[NH2+]C1 ZINC000071311598 178298792 /nfs/dbraw/zinc/29/87/92/178298792.db2.gz OPTOYUDPXKWHDN-ZDUSSCGKSA-N 1 0 241.338 2.341 10 0 BEAERO Cc1cc2ncc([C@H](C)[NH2+][C@H]3C[C@@H]3C)c(C)n2n1 ZINC000052272216 178303004 /nfs/dbraw/zinc/30/30/04/178303004.db2.gz ADFDGYDYQJDGJJ-FWDPORAESA-N 1 0 244.342 2.405 10 0 BEAERO Cc1cc2nc([C@H](C)C[NH3+])[nH]c2cc1C ZINC000054334386 178303634 /nfs/dbraw/zinc/30/36/34/178303634.db2.gz PQGWTTMQFMAMOX-SECBINFHSA-N 1 0 203.289 2.242 10 0 BEAERO Cc1cc2ncn([C@H](C)C[NH3+])c2cc1C ZINC000043513994 178304781 /nfs/dbraw/zinc/30/47/81/178304781.db2.gz GLJIVELIZIMWLS-SNVBAGLBSA-N 1 0 203.289 2.173 10 0 BEAERO CCC(CC)C[NH2+][C@H]1CCCN(CC)C1 ZINC000040502110 168365272 /nfs/dbraw/zinc/36/52/72/168365272.db2.gz GUNINPOETZARDY-ZDUSSCGKSA-N 1 0 212.381 2.497 10 0 BEAERO Cc1cc2ccc(C(N)=[NH2+])nc2cc1Cl ZINC000067173643 178296560 /nfs/dbraw/zinc/29/65/60/178296560.db2.gz FYQQHYGILWJSSJ-UHFFFAOYSA-N 1 0 219.675 2.481 10 0 BEAERO C[C@@]1(C(=O)NCCC2CCCC2)CCC[NH2+]C1 ZINC000062856073 398251283 /nfs/dbraw/zinc/25/12/83/398251283.db2.gz UCUAMUJDJXWRID-CQSZACIVSA-N 1 0 238.375 2.073 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051792904 168367781 /nfs/dbraw/zinc/36/77/81/168367781.db2.gz GRMRDQFSERYKAU-ZYHUDNBSSA-N 1 0 226.364 2.022 10 0 BEAERO Cc1ccc(-c2c[nH]c([C@@H](C)[NH3+])n2)cc1 ZINC000036872341 178317580 /nfs/dbraw/zinc/31/75/80/178317580.db2.gz BAJSNTLCTIFMQR-SECBINFHSA-N 1 0 201.273 2.405 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000036789504 168367174 /nfs/dbraw/zinc/36/71/74/168367174.db2.gz DXCPABMNKVSHIZ-CMPLNLGQSA-N 1 0 226.364 2.164 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccoc1 ZINC000168003057 538944253 /nfs/dbraw/zinc/94/42/53/538944253.db2.gz KEOVCKSRYQVWOG-LOWVWBTDSA-N 1 0 223.316 2.481 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055087545 168367473 /nfs/dbraw/zinc/36/74/73/168367473.db2.gz KRWQGXQOYNSIGH-NEPJUHHUSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)C[NH3+])no2)cc1 ZINC000054158747 178335579 /nfs/dbraw/zinc/33/55/79/178335579.db2.gz IVIUHLGJKGYYMC-VIFPVBQESA-N 1 0 217.272 2.107 10 0 BEAERO Cc1ccc(-c2nc([C@H](C)[NH3+])no2)cc1 ZINC000041052260 178336776 /nfs/dbraw/zinc/33/67/76/178336776.db2.gz RQBLVARXIFPGKQ-QMMMGPOBSA-N 1 0 203.245 2.065 10 0 BEAERO CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC[C@H](O)C1 ZINC000383438663 398257857 /nfs/dbraw/zinc/25/78/57/398257857.db2.gz DEFSANGDOVJMOX-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1c(C[NH3+])noc1-c1ccc(C)cc1 ZINC000082639094 178345157 /nfs/dbraw/zinc/34/51/57/178345157.db2.gz JCDHKSYTSHHJAO-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCCC[C@H]1O)OC ZINC000381394860 398255242 /nfs/dbraw/zinc/25/52/42/398255242.db2.gz OLXHIVLGNMICDZ-DGAVXFQQSA-N 1 0 243.391 2.188 10 0 BEAERO Cc1ccc(C(=O)N(C)c2ccc(C[NH3+])cc2)o1 ZINC000034653526 178380913 /nfs/dbraw/zinc/38/09/13/178380913.db2.gz LTAIVUCRUBDUKL-UHFFFAOYSA-N 1 0 244.294 2.323 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616612472 349559647 /nfs/dbraw/zinc/55/96/47/349559647.db2.gz DJVURFXIBOPEGK-CQSZACIVSA-N 1 0 219.328 2.031 10 0 BEAERO C[N@H+](CCc1ccncc1)C[C@H]1CCC[C@H](O)C1 ZINC000386559540 398265141 /nfs/dbraw/zinc/26/51/41/398265141.db2.gz VFMSSSNZJDYWCH-GJZGRUSLSA-N 1 0 248.370 2.107 10 0 BEAERO CCC(CC)[N@H+](CCOC)C[C@@H]1CCC[C@@H]1O ZINC000053924021 168374773 /nfs/dbraw/zinc/37/47/73/168374773.db2.gz UOEWTAPIESXKJJ-JSGCOSHPSA-N 1 0 243.391 2.284 10 0 BEAERO CCNc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000204586868 538953846 /nfs/dbraw/zinc/95/38/46/538953846.db2.gz WAOKGHFCCHPXRI-UHFFFAOYSA-N 1 0 202.301 2.495 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2ccncn2)C1 ZINC000616612970 349590497 /nfs/dbraw/zinc/59/04/97/349590497.db2.gz DXTLOPIACCDKOJ-JTQLQIEISA-N 1 0 205.305 2.064 10 0 BEAERO CC[N@@H+]1CC[C@H](c2ccc(CCO)cc2)C1 ZINC000616612959 349590097 /nfs/dbraw/zinc/59/00/97/349590097.db2.gz DJVURFXIBOPEGK-AWEZNQCLSA-N 1 0 219.328 2.031 10 0 BEAERO c1cc2c(s1)[C@@H]([C@@H]1CCCOC1)[NH2+]CC2 ZINC000712537085 538954798 /nfs/dbraw/zinc/95/47/98/538954798.db2.gz ZINPTABOPKMUMO-GHMZBOCLSA-N 1 0 223.341 2.362 10 0 BEAERO CC(C)[NH2+]C[C@@H]1OCCc2sccc21 ZINC000205004263 538954966 /nfs/dbraw/zinc/95/49/66/538954966.db2.gz ALOGGJJWMRHLJH-JTQLQIEISA-N 1 0 211.330 2.360 10 0 BEAERO CC(C)[NH2+]C[C@H]1OCCc2sccc21 ZINC000205004248 538954974 /nfs/dbraw/zinc/95/49/74/538954974.db2.gz ALOGGJJWMRHLJH-SNVBAGLBSA-N 1 0 211.330 2.360 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)C(C)C ZINC000040502848 343999314 /nfs/dbraw/zinc/99/93/14/343999314.db2.gz ODMVJBNCHUGKBC-CHWSQXEVSA-N 1 0 212.381 2.495 10 0 BEAERO C[N@@H+](Cc1ccco1)C[C@@H]1CCC[C@@H](O)C1 ZINC000381653112 398268516 /nfs/dbraw/zinc/26/85/16/398268516.db2.gz SFCBXZMEKRXBPC-VXGBXAGGSA-N 1 0 223.316 2.263 10 0 BEAERO CC[N@@H+]1CC[C@H](c2ccc3nnccc3c2)C1 ZINC000616612955 349589676 /nfs/dbraw/zinc/58/96/76/349589676.db2.gz DGNRVJAWBQGUPF-ZDUSSCGKSA-N 1 0 227.311 2.439 10 0 BEAERO CCC(CC)NC(=O)C[NH2+]CC1(C)CCCC1 ZINC000104430801 168377495 /nfs/dbraw/zinc/37/74/95/168377495.db2.gz MPEZGELKSYUGPV-UHFFFAOYSA-N 1 0 240.391 2.461 10 0 BEAERO [NH3+][C@@H](Cc1sccc1Cl)c1cnsn1 ZINC000306650504 361849377 /nfs/dbraw/zinc/84/93/77/361849377.db2.gz FONPLVHAYGSWFH-LURJTMIESA-N 1 0 245.760 2.496 10 0 BEAERO C[C@H]1[NH2+]CCO[C@@H]1c1cccc(Cl)c1 ZINC000037405042 538962954 /nfs/dbraw/zinc/96/29/54/538962954.db2.gz BOFUZZAQNVYZFF-KCJUWKMLSA-N 1 0 211.692 2.389 10 0 BEAERO Nc1cc[nH+]cc1NCCc1ccccc1 ZINC000001840968 342712945 /nfs/dbraw/zinc/71/29/45/342712945.db2.gz ZCMIOMUVKRVROU-UHFFFAOYSA-N 1 0 213.284 2.318 10 0 BEAERO c1cc([C@@H]2C[NH2+]C[C@@H](C3CC3)O2)cs1 ZINC000070890776 361865710 /nfs/dbraw/zinc/86/57/10/361865710.db2.gz SGJXJFZFHJVLKO-QWRGUYRKSA-N 1 0 209.314 2.188 10 0 BEAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccncc1 ZINC000038095446 538964516 /nfs/dbraw/zinc/96/45/16/538964516.db2.gz XRXBRUZHESUUMI-WCQYABFASA-N 1 0 220.316 2.301 10 0 BEAERO CCC(CC)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019427779 168384257 /nfs/dbraw/zinc/38/42/57/168384257.db2.gz OCNIQQYWRGVVRN-WCFLWFBJSA-N 1 0 238.375 2.212 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000003678318 361869930 /nfs/dbraw/zinc/86/99/30/361869930.db2.gz OVMKFFQECJQOSD-LBPRGKRZSA-N 1 0 221.300 2.256 10 0 BEAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000038048935 178432086 /nfs/dbraw/zinc/43/20/86/178432086.db2.gz RBBYELVZEXZYLK-KGLIPLIRSA-N 1 0 246.354 2.303 10 0 BEAERO CCOc1ccc(C[C@H]2CCC[NH2+]2)cc1 ZINC000003732342 342737122 /nfs/dbraw/zinc/73/71/22/342737122.db2.gz ZVBCRDDHKHKFOT-GFCCVEGCSA-N 1 0 205.301 2.380 10 0 BEAERO CC[C@H]([NH2+]CC(C)(C)C(=O)OC)[C@@H]1C[C@@H]1C ZINC000321047316 342750065 /nfs/dbraw/zinc/75/00/65/342750065.db2.gz GDSZGOUQRVGHGI-AXFHLTTASA-N 1 0 227.348 2.210 10 0 BEAERO Cc1nc(C)c(COC[C@H]2CCCC[NH2+]2)s1 ZINC000585144342 398283810 /nfs/dbraw/zinc/28/38/10/398283810.db2.gz LWJFACJKUNDORS-LLVKDONJSA-N 1 0 240.372 2.419 10 0 BEAERO C[C@@H]([NH3+])c1cnc(N2CCCCC2)s1 ZINC000054864392 398283942 /nfs/dbraw/zinc/28/39/42/398283942.db2.gz ZCFNOPGILYGZBA-MRVPVSSYSA-N 1 0 211.334 2.153 10 0 BEAERO C[NH2+]C1([C@@H](N)c2ccccc2)CCCC1 ZINC000145919815 342763378 /nfs/dbraw/zinc/76/33/78/342763378.db2.gz ITPILRQRLQJDAJ-LBPRGKRZSA-N 1 0 204.317 2.219 10 0 BEAERO CCC(CC)[NH2+]C[C@@H](C)N1CCC(OC)CC1 ZINC000053490618 168388959 /nfs/dbraw/zinc/38/89/59/168388959.db2.gz TWDRXVSDNYNZBL-GFCCVEGCSA-N 1 0 242.407 2.264 10 0 BEAERO c1cnc2cccc([C@]34C[C@H]3C[NH2+]C4)c2c1 ZINC000147313823 342774071 /nfs/dbraw/zinc/77/40/71/342774071.db2.gz DSRNRFDUYZGFKM-HZMBPMFUSA-N 1 0 210.280 2.096 10 0 BEAERO CC(C)CO[C@H]1C[NH2+]CC[C@@H]1c1ccoc1 ZINC000147312745 342774098 /nfs/dbraw/zinc/77/40/98/342774098.db2.gz TWHJDBMNIPWRRW-OLZOCXBDSA-N 1 0 223.316 2.398 10 0 BEAERO Cn1cc[nH+]c1NCc1ccc(F)cc1 ZINC000008699739 342802473 /nfs/dbraw/zinc/80/24/73/342802473.db2.gz QUTJVUBMAYNZEY-UHFFFAOYSA-N 1 0 205.236 2.171 10 0 BEAERO COc1ccc2c(c1)C[C@@H]([NH+](C)C)CC2 ZINC000147855527 342781996 /nfs/dbraw/zinc/78/19/96/342781996.db2.gz YQMXEURRBLAWHL-LBPRGKRZSA-N 1 0 205.301 2.114 10 0 BEAERO Oc1ccc2c(c1)CC[C@H]2[NH+]1CCCC1 ZINC000148056253 342787446 /nfs/dbraw/zinc/78/74/46/342787446.db2.gz OXTSVJYIEFTUFI-CYBMUJFWSA-N 1 0 203.285 2.475 10 0 BEAERO CCC(CC)[NH2+]Cc1ncccc1N(C)C ZINC000289675534 168390367 /nfs/dbraw/zinc/39/03/67/168390367.db2.gz HMSYJXIOYOJDRZ-UHFFFAOYSA-N 1 0 221.348 2.426 10 0 BEAERO C/C(=C/c1ccccc1)C[NH2+][C@@H]1C[C@H]1CO ZINC000309709191 342794938 /nfs/dbraw/zinc/79/49/38/342794938.db2.gz WMZCAGWRRMGAMG-AKXMXHFNSA-N 1 0 217.312 2.060 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccco1 ZINC000040671975 538972605 /nfs/dbraw/zinc/97/26/05/538972605.db2.gz PGHKIHOGAWVMJN-QWRGUYRKSA-N 1 0 208.305 2.024 10 0 BEAERO CCN1CCCC[C@@H]1[C@@H]1CCCCC[NH2+]1 ZINC000022872622 342816565 /nfs/dbraw/zinc/81/65/65/342816565.db2.gz AHUOOIMPGMLGTN-QWHCGFSZSA-N 1 0 210.365 2.393 10 0 BEAERO Cc1nc(C[NH3+])cc(-c2ccc(F)cc2F)n1 ZINC000259044024 342825558 /nfs/dbraw/zinc/82/55/58/342825558.db2.gz KYFJOBJUBBYIKR-UHFFFAOYSA-N 1 0 235.237 2.189 10 0 BEAERO CNC(=[NH2+])Nc1ccc(C)c(Br)c1 ZINC000070994269 361925683 /nfs/dbraw/zinc/92/56/83/361925683.db2.gz ZVEOVARMYPCNAX-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+]Cc1cocn1 ZINC000380001397 538983743 /nfs/dbraw/zinc/98/37/43/538983743.db2.gz MZPLBBZSKURMAR-MWLCHTKSSA-N 1 0 212.268 2.293 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cocn1 ZINC000380001398 538983817 /nfs/dbraw/zinc/98/38/17/538983817.db2.gz MZPLBBZSKURMAR-ONGXEEELSA-N 1 0 212.268 2.293 10 0 BEAERO CC[N@H+]1C[C@H](N[C@H](C)c2nccs2)[C@@H](C)C1 ZINC000381568350 539004199 /nfs/dbraw/zinc/00/41/99/539004199.db2.gz VSFMCONWJZSQII-AXFHLTTASA-N 1 0 239.388 2.134 10 0 BEAERO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000381729913 539006629 /nfs/dbraw/zinc/00/66/29/539006629.db2.gz NGXXKIUVMZKPFO-RWMBFGLXSA-N 1 0 228.355 2.199 10 0 BEAERO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000381729895 539006641 /nfs/dbraw/zinc/00/66/41/539006641.db2.gz NGXXKIUVMZKPFO-FRRDWIJNSA-N 1 0 228.355 2.199 10 0 BEAERO COC1CCC2(CC1)[NH2+]CCc1occc12 ZINC000709990354 539027830 /nfs/dbraw/zinc/02/78/30/539027830.db2.gz PMGHHKMRJLLROO-UHFFFAOYSA-N 1 0 221.300 2.210 10 0 BEAERO C[C@@]1([NH3+])CCOc2ccc(Br)cc21 ZINC000062215620 539015829 /nfs/dbraw/zinc/01/58/29/539015829.db2.gz UWLXZPZZSLDZBD-SNVBAGLBSA-N 1 0 242.116 2.406 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000389985028 539019524 /nfs/dbraw/zinc/01/95/24/539019524.db2.gz LPCSMYXBYGRYTN-CMPLNLGQSA-N 1 0 209.333 2.212 10 0 BEAERO Cc1ncsc1[C@@H]([NH3+])Cc1ccco1 ZINC000164878552 342853656 /nfs/dbraw/zinc/85/36/56/342853656.db2.gz PMMORIRJDDGDRP-VIFPVBQESA-N 1 0 208.286 2.287 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@]1(O)c1sccc1Cl ZINC000229926175 342855675 /nfs/dbraw/zinc/85/56/75/342855675.db2.gz CTERIHYIPGOSFC-GMSGAONNSA-N 1 0 231.748 2.219 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000164998561 342864539 /nfs/dbraw/zinc/86/45/39/342864539.db2.gz AEKYTHRSURIBHK-SSDOTTSWSA-N 1 0 231.752 2.303 10 0 BEAERO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000117393725 398311366 /nfs/dbraw/zinc/31/13/66/398311366.db2.gz RWYUTHGVVSMAQF-VXGBXAGGSA-N 1 0 237.372 2.240 10 0 BEAERO CC(C)[C@@H]1CCC[C@]([NH3+])(c2ncc[nH]2)C1 ZINC000521401600 398305144 /nfs/dbraw/zinc/30/51/44/398305144.db2.gz LGWXCSHYQJEQSW-ZYHUDNBSSA-N 1 0 207.321 2.410 10 0 BEAERO C[C@@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000406544758 342871415 /nfs/dbraw/zinc/87/14/15/342871415.db2.gz IHOLKOFROGOORH-MRVPVSSYSA-N 1 0 237.303 2.448 10 0 BEAERO CSCCCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000388663793 342876306 /nfs/dbraw/zinc/87/63/06/342876306.db2.gz AWYFBXWUOMROIA-SNVBAGLBSA-N 1 0 219.394 2.126 10 0 BEAERO CC(C)(C[NH3+])c1csc(C2(C)CC2)n1 ZINC000165229697 342886721 /nfs/dbraw/zinc/88/67/21/342886721.db2.gz GGMVYJDRVTWAGV-UHFFFAOYSA-N 1 0 210.346 2.431 10 0 BEAERO CCCC(CCC)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232921314 342892113 /nfs/dbraw/zinc/89/21/13/342892113.db2.gz PUUISKIOQUCKDF-PWSUYJOCSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1cc(C(=O)C[C@@H]2CSCC[NH2+]2)cs1 ZINC000226591229 342892611 /nfs/dbraw/zinc/89/26/11/342892611.db2.gz NKWUSCRRNTUCDR-SNVBAGLBSA-N 1 0 241.381 2.334 10 0 BEAERO CC[C@@H]1CS[C@@]2(CCS[C@@H]2C)[NH2+]1 ZINC000233939801 342904720 /nfs/dbraw/zinc/90/47/20/342904720.db2.gz VGVCEIYONFTCIS-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO CNC(=[NH2+])Nc1cc(C)ccc1Br ZINC000134874779 342913857 /nfs/dbraw/zinc/91/38/57/342913857.db2.gz AJCDAMVNFKZGIN-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO Cc1ccc(Br)c(NC2C[NH2+]C2)c1 ZINC000134855395 342904003 /nfs/dbraw/zinc/90/40/03/342904003.db2.gz VXBGJCNVBSCOGG-UHFFFAOYSA-N 1 0 241.132 2.141 10 0 BEAERO CC[C@@H](C)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037481999 398328471 /nfs/dbraw/zinc/32/84/71/398328471.db2.gz ARRAXYRROOHNBN-VOMCLLRMSA-N 1 0 226.364 2.008 10 0 BEAERO CNC(=[NH2+])c1ccc(Br)cc1C ZINC000231697827 398326529 /nfs/dbraw/zinc/32/65/29/398326529.db2.gz XMRYOBQMVJZXAW-UHFFFAOYSA-N 1 0 227.105 2.302 10 0 BEAERO CC(C)(C)c1ccc(C[C@@H]2C[NH2+]CCN2)cc1 ZINC000071536507 259332085 /nfs/dbraw/zinc/33/20/85/259332085.db2.gz OUDGNZXSKMKMNO-CQSZACIVSA-N 1 0 232.371 2.088 10 0 BEAERO C[C@H]([NH3+])c1cnc(-c2cccnc2)s1 ZINC000011760728 398338270 /nfs/dbraw/zinc/33/82/70/398338270.db2.gz JCLHCJGBVBEYDP-ZETCQYMHSA-N 1 0 205.286 2.225 10 0 BEAERO C[C@@H]1CN(c2ccccc2C=O)C[C@H](C)[N@H+]1C ZINC000116974418 342940318 /nfs/dbraw/zinc/94/03/18/342940318.db2.gz CUDTXLRAKIIRLG-TXEJJXNPSA-N 1 0 232.327 2.028 10 0 BEAERO [NH3+]C1CCC(c2nc(-c3ccncc3)no2)CC1 ZINC000037562309 398331752 /nfs/dbraw/zinc/33/17/52/398331752.db2.gz JDLXKLIQRDYFSD-UHFFFAOYSA-N 1 0 244.298 2.117 10 0 BEAERO Cc1ccc(C)c(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000038049441 178467037 /nfs/dbraw/zinc/46/70/37/178467037.db2.gz FESAHTVBQPJBKO-KGLIPLIRSA-N 1 0 246.354 2.303 10 0 BEAERO C[C@H](N(C)C(=O)C1CCC([NH3+])CC1)C(C)(C)C ZINC000037807209 398334480 /nfs/dbraw/zinc/33/44/80/398334480.db2.gz YHMCHIQLRZILIY-UNXYVOJBSA-N 1 0 240.391 2.397 10 0 BEAERO c1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000037988628 398335430 /nfs/dbraw/zinc/33/54/30/398335430.db2.gz HSJVJRZOINWGKY-ZDUSSCGKSA-N 1 0 205.301 2.345 10 0 BEAERO COc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000037988592 398335455 /nfs/dbraw/zinc/33/54/55/398335455.db2.gz BIZMWZOFOAXXCJ-AWEZNQCLSA-N 1 0 235.327 2.354 10 0 BEAERO Cc1ccncc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000135463166 398342123 /nfs/dbraw/zinc/34/21/23/398342123.db2.gz NPULLYWRSOVBNT-TZMCWYRMSA-N 1 0 234.343 2.031 10 0 BEAERO CCn1c(C)nnc1CN(C(C)C)C1CCC1 ZINC000172664289 398342189 /nfs/dbraw/zinc/34/21/89/398342189.db2.gz AQQYLXOOQNEGMS-UHFFFAOYSA-N 1 0 236.363 2.369 10 0 BEAERO CC[C@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061868469 398344419 /nfs/dbraw/zinc/34/44/19/398344419.db2.gz XSELMCBJJUQPIG-VIFPVBQESA-N 1 0 213.252 2.253 10 0 BEAERO C[C@@H]([NH3+])C(=O)Nc1c(Cl)cccc1Cl ZINC000040173959 342958975 /nfs/dbraw/zinc/95/89/75/342958975.db2.gz VUHKFNXLSWNTOH-RXMQYKEDSA-N 1 0 233.098 2.279 10 0 BEAERO CSc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000045946343 343013202 /nfs/dbraw/zinc/01/32/02/343013202.db2.gz IEQPRRRLAWHYDT-UHFFFAOYSA-N 1 0 247.367 2.464 10 0 BEAERO CC(C)Cc1ccc([C@H](C)[NH2+]CC(N)=O)cc1 ZINC000021968381 343031668 /nfs/dbraw/zinc/03/16/68/343031668.db2.gz ZWZZVJICHQYBES-NSHDSACASA-N 1 0 234.343 2.021 10 0 BEAERO Cc1ccc(C)c(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043324395 178485918 /nfs/dbraw/zinc/48/59/18/178485918.db2.gz BMUFKBZIOMFSLI-GFCCVEGCSA-N 1 0 204.317 2.467 10 0 BEAERO Cc1ccc2c(CSC(N)=[NH2+])cc(=O)oc2c1 ZINC000022365009 343047408 /nfs/dbraw/zinc/04/74/08/343047408.db2.gz ZJVSGCYYSRBSAX-UHFFFAOYSA-N 1 0 248.307 2.228 10 0 BEAERO CCc1nc2cc3c(cc2o1)CC[NH2+]CC3 ZINC000118608581 343050641 /nfs/dbraw/zinc/05/06/41/343050641.db2.gz NAWHKKVCUJLMQW-UHFFFAOYSA-N 1 0 216.284 2.078 10 0 BEAERO CC[C@@H]1C[NH+]=C(NC[C@H]2CCSC2)S1 ZINC000228589189 362006974 /nfs/dbraw/zinc/00/69/74/362006974.db2.gz SEJKFNXXOQGOMK-RKDXNWHRSA-N 1 0 230.402 2.211 10 0 BEAERO COc1ccc([C@H]2C[NH2+]CC2(F)F)cc1 ZINC000584880016 343080256 /nfs/dbraw/zinc/08/02/56/343080256.db2.gz XJNQBKHEAAYCMX-SNVBAGLBSA-N 1 0 213.227 2.017 10 0 BEAERO [NH3+]CCC1CCN(c2nccc3occc32)CC1 ZINC000236176550 343083602 /nfs/dbraw/zinc/08/36/02/343083602.db2.gz UKQVFYQIPLLDTJ-UHFFFAOYSA-N 1 0 245.326 2.393 10 0 BEAERO [NH3+][C@@H]1CCCN(c2ccc(Cl)cc2)C1 ZINC000043470479 343084298 /nfs/dbraw/zinc/08/42/98/343084298.db2.gz SRSANAAMPXYLRN-SNVBAGLBSA-N 1 0 210.708 2.268 10 0 BEAERO CCNc1c(N)c[nH+]c2c(CC)cccc12 ZINC000584882355 343084670 /nfs/dbraw/zinc/08/46/70/343084670.db2.gz DPSZDPQMHVQVKN-UHFFFAOYSA-N 1 0 215.300 2.233 10 0 BEAERO CNc1c(N)cnc2c(OC)cc(F)cc21 ZINC000584882580 343085135 /nfs/dbraw/zinc/08/51/35/343085135.db2.gz LAGWIKCUPRDEQP-UHFFFAOYSA-N 1 0 221.235 2.006 10 0 BEAERO COc1cc(C2([NH3+])CC3(CCC3)C2)ccn1 ZINC000584883093 343086012 /nfs/dbraw/zinc/08/60/12/343086012.db2.gz GPNHIMZGHNWKFB-UHFFFAOYSA-N 1 0 218.300 2.208 10 0 BEAERO CC1(C)C[NH+](C[C@@H]2CCCCCC2=O)C1 ZINC000306669492 362031938 /nfs/dbraw/zinc/03/19/38/362031938.db2.gz LDGJCKXRYCVIQQ-NSHDSACASA-N 1 0 209.333 2.478 10 0 BEAERO c1cc(C2=CCC[C@@H]3CC[C@H]2[NH2+]3)ccn1 ZINC000013475037 343089257 /nfs/dbraw/zinc/08/92/57/343089257.db2.gz ZKSVYJMUQUGQPL-DGCLKSJQSA-N 1 0 200.285 2.379 10 0 BEAERO CC[C@@H](C)Nc1ncnc(N)c1Br ZINC000233838061 343074442 /nfs/dbraw/zinc/07/44/42/343074442.db2.gz DPRNNSJYSSTUSK-RXMQYKEDSA-N 1 0 245.124 2.032 10 0 BEAERO Cc1[nH+]c(N)nc(N)c1CCCc1ccccc1 ZINC000013283435 343076289 /nfs/dbraw/zinc/07/62/89/343076289.db2.gz ZOLRHOYGCWXBKL-UHFFFAOYSA-N 1 0 242.326 2.125 10 0 BEAERO CC(C)c1ccc(CC2=[NH+]CCN2)cc1 ZINC000013779800 343103507 /nfs/dbraw/zinc/10/35/07/343103507.db2.gz CTTYEEFCHQSOQS-UHFFFAOYSA-N 1 0 202.301 2.354 10 0 BEAERO CCCc1ccc(CC2=[NH+]CCN2)cc1 ZINC000013779799 343103703 /nfs/dbraw/zinc/10/37/03/343103703.db2.gz FLZCFXLRFMDTMP-UHFFFAOYSA-N 1 0 202.301 2.183 10 0 BEAERO CCCCCOC(=O)c1ccc(C[NH3+])cc1 ZINC000013802947 343103991 /nfs/dbraw/zinc/10/39/91/343103991.db2.gz QMCRCPWYHAHTSF-UHFFFAOYSA-N 1 0 221.300 2.492 10 0 BEAERO CCN1CCC[C@H]1C[N@H+](C)C1CCCC1 ZINC000120110228 343108996 /nfs/dbraw/zinc/10/89/96/343108996.db2.gz WKNQSPGRUVWSTB-ZDUSSCGKSA-N 1 0 210.365 2.345 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc2c(c1)CCCC2 ZINC000049817373 343121833 /nfs/dbraw/zinc/12/18/33/343121833.db2.gz HLXJQQGIBIBZDY-CQSZACIVSA-N 1 0 219.328 2.208 10 0 BEAERO Cc1ccc(C)c([C@@H]([NH3+])CN2CCO[C@H](C)C2)c1 ZINC000036988403 178496251 /nfs/dbraw/zinc/49/62/51/178496251.db2.gz BQBRYBTUGIFXFP-HIFRSBDPSA-N 1 0 248.370 2.024 10 0 BEAERO C[C@@H](Oc1ccc(Br)cc1)C(N)=[NH2+] ZINC000043515639 343116139 /nfs/dbraw/zinc/11/61/39/343116139.db2.gz GQCZNQWNSKRDOG-ZCFIWIBFSA-N 1 0 243.104 2.152 10 0 BEAERO C[C@@H](Sc1ccc(F)cc1F)C(N)=[NH2+] ZINC000043516541 343116460 /nfs/dbraw/zinc/11/64/60/343116460.db2.gz SCDSUOMZRYXABB-RXMQYKEDSA-N 1 0 216.256 2.381 10 0 BEAERO C[C@@H](C(N)=S)[N@H+](C)C1CCC(C)CC1 ZINC000043514365 343116484 /nfs/dbraw/zinc/11/64/84/343116484.db2.gz YGPNOPHXYXBBJQ-KYHHOPLUSA-N 1 0 214.378 2.172 10 0 BEAERO [NH3+][C@H](COCC(F)(F)F)c1ccccc1 ZINC000023067016 343140448 /nfs/dbraw/zinc/14/04/48/343140448.db2.gz ZQCGETVTCRYVPX-SECBINFHSA-N 1 0 219.206 2.265 10 0 BEAERO [NH3+][C@@H](COCC(F)(F)F)c1ccccc1 ZINC000023067015 343140545 /nfs/dbraw/zinc/14/05/45/343140545.db2.gz ZQCGETVTCRYVPX-VIFPVBQESA-N 1 0 219.206 2.265 10 0 BEAERO COc1cccc([C@]2(C)CCC[NH2+]C2)c1 ZINC000034108136 343141887 /nfs/dbraw/zinc/14/18/87/343141887.db2.gz LOEKCSCZZUHSAZ-CYBMUJFWSA-N 1 0 205.301 2.336 10 0 BEAERO CCC[C@@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000037995933 343143358 /nfs/dbraw/zinc/14/33/58/343143358.db2.gz KKTRBAFPJSAOMP-LLVKDONJSA-N 1 0 223.316 2.374 10 0 BEAERO C[C@@H]([NH3+])CCC(=O)Nc1cccc2ccncc21 ZINC000131151882 343182546 /nfs/dbraw/zinc/18/25/46/343182546.db2.gz MAJFTSCNXCNSIL-SNVBAGLBSA-N 1 0 243.310 2.301 10 0 BEAERO COc1cccc(CNc2cc(N)cc[nH+]2)c1 ZINC000043569033 343168455 /nfs/dbraw/zinc/16/84/55/343168455.db2.gz IPYKZIGVBFSWQF-UHFFFAOYSA-N 1 0 229.283 2.285 10 0 BEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC000245719131 136272366 /nfs/dbraw/zinc/27/23/66/136272366.db2.gz DDVHQPVYZRFYQN-RDBSUJKOSA-N 1 0 239.359 2.197 10 0 BEAERO Nc1cc[nH+]c(N2CCC[C@@H]2c2cccnc2)c1 ZINC000043568962 343174366 /nfs/dbraw/zinc/17/43/66/343174366.db2.gz XFBAOQSKYHDDGQ-CYBMUJFWSA-N 1 0 240.310 2.400 10 0 BEAERO c1cc([C@H]2CCCOC2)cc2c1C[NH2+]C2 ZINC000145537859 343193863 /nfs/dbraw/zinc/19/38/63/343193863.db2.gz YWPXWSPGFJEESZ-LBPRGKRZSA-N 1 0 203.285 2.184 10 0 BEAERO c1cc([C@@H]2CCCOC2)cc2c1C[NH2+]C2 ZINC000145537664 343193914 /nfs/dbraw/zinc/19/39/14/343193914.db2.gz YWPXWSPGFJEESZ-GFCCVEGCSA-N 1 0 203.285 2.184 10 0 BEAERO CC[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000043591466 343241821 /nfs/dbraw/zinc/24/18/21/343241821.db2.gz IVEQHBUGSUBMPZ-QWHCGFSZSA-N 1 0 240.391 2.317 10 0 BEAERO C[NH2+]CCCc1cnn(Cc2cccc(F)c2)c1 ZINC000071193651 343242311 /nfs/dbraw/zinc/24/23/11/343242311.db2.gz WWPDMRXVMUONGF-UHFFFAOYSA-N 1 0 247.317 2.223 10 0 BEAERO CC[NH2+]Cc1ccccc1[Si](C)(C)C ZINC000238265896 343253361 /nfs/dbraw/zinc/25/33/61/343253361.db2.gz UUYYTIXBEQQERI-UHFFFAOYSA-N 1 0 207.393 2.341 10 0 BEAERO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)C(C)(C)C ZINC000121525260 343267502 /nfs/dbraw/zinc/26/75/02/343267502.db2.gz GOTXSLAMIJQNAW-NWDGAFQWSA-N 1 0 240.391 2.269 10 0 BEAERO [NH3+]C1CCN(c2nccc3sccc32)CC1 ZINC000036754924 343323274 /nfs/dbraw/zinc/32/32/74/343323274.db2.gz QPKXNSDLJZUTOB-UHFFFAOYSA-N 1 0 233.340 2.224 10 0 BEAERO c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000060250578 343297346 /nfs/dbraw/zinc/29/73/46/343297346.db2.gz MEHGZKIWJHTWJU-CQSZACIVSA-N 1 0 227.311 2.330 10 0 BEAERO C[C@@](N)(C[NH+]1CCCCC1)c1ccccc1 ZINC000035616107 343300899 /nfs/dbraw/zinc/30/08/99/343300899.db2.gz LGIZSDXGWLUMSW-CQSZACIVSA-N 1 0 218.344 2.346 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC000070916150 343339741 /nfs/dbraw/zinc/33/97/41/343339741.db2.gz VDUUDODWSOCOTE-SECBINFHSA-N 1 0 225.254 2.176 10 0 BEAERO C[C@H](CO)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037258824 343341709 /nfs/dbraw/zinc/34/17/09/343341709.db2.gz YUCAVXDTIIQVIC-RNCFNFMXSA-N 1 0 223.291 2.247 10 0 BEAERO C[C@@H](CN1CC[N@H+](C)CC1(C)C)C(F)(F)F ZINC000335643482 136304101 /nfs/dbraw/zinc/30/41/01/136304101.db2.gz FZYLWDMXOKAXSB-VIFPVBQESA-N 1 0 238.297 2.211 10 0 BEAERO CCO[C@]1(c2ccco2)CC[NH2+]C[C@H]1C ZINC000039099619 343383120 /nfs/dbraw/zinc/38/31/20/343383120.db2.gz HKOZBYYRUBFSPP-ZYHUDNBSSA-N 1 0 209.289 2.141 10 0 BEAERO Cc1ccc(N)cc1OC1CC[NH+](C)CC1 ZINC000039110281 343385412 /nfs/dbraw/zinc/38/54/12/343385412.db2.gz CZRWHGPFMOMTLX-UHFFFAOYSA-N 1 0 220.316 2.050 10 0 BEAERO Cc1c2cc(N)ccc2nc2c1C[NH2+]CCC2 ZINC000039111024 343385423 /nfs/dbraw/zinc/38/54/23/343385423.db2.gz NREORCQXSUNPSS-UHFFFAOYSA-N 1 0 227.311 2.161 10 0 BEAERO CO[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000201869874 343391609 /nfs/dbraw/zinc/39/16/09/343391609.db2.gz YPGXFZXEZBGZLM-VXGBXAGGSA-N 1 0 209.264 2.265 10 0 BEAERO [NH3+][C@@H]1c2cc(C(F)(F)F)ccc2CCC[C@@H]1O ZINC000039941545 343393845 /nfs/dbraw/zinc/39/38/45/343393845.db2.gz TXQOOWJKBQMOQK-WDEREUQCSA-N 1 0 245.244 2.402 10 0 BEAERO C[NH2+][C@H](c1nc2c(s1)CCC2)C1CC1 ZINC000041060844 343413833 /nfs/dbraw/zinc/41/38/33/343413833.db2.gz GOWQHPDSKKGIBP-JTQLQIEISA-N 1 0 208.330 2.302 10 0 BEAERO COC(=O)c1ccc2c(c1)[C@@H]([NH3+])CC2(C)C ZINC000113930643 346938074 /nfs/dbraw/zinc/93/80/74/346938074.db2.gz MKPKXRCEKRISGU-NSHDSACASA-N 1 0 219.284 2.154 10 0 BEAERO Fc1cccc2c1[C@@H]([NH2+][C@@H]1CCSC1)CO2 ZINC000374685642 136356778 /nfs/dbraw/zinc/35/67/78/136356778.db2.gz ZFGPJFQIAVANGF-SCZZXKLOSA-N 1 0 239.315 2.354 10 0 BEAERO CC1CC(C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000570037018 323047904 /nfs/dbraw/zinc/04/79/04/323047904.db2.gz FLGUFHDJVXMVJW-KGPNIALWSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1ccc(F)cn1 ZINC000082593054 343450288 /nfs/dbraw/zinc/45/02/88/343450288.db2.gz ONRBKELZEPLZNF-JTQLQIEISA-N 1 0 211.284 2.006 10 0 BEAERO C[C@H](CN(C)C)[NH2+]CC1CCC(C)CC1 ZINC000130233172 136372521 /nfs/dbraw/zinc/37/25/21/136372521.db2.gz UUZDNBSCWDJJGG-OTTFEQOBSA-N 1 0 212.381 2.352 10 0 BEAERO Cc1csc(S[C@@H]2CCC[NH2+]C2)n1 ZINC000043501625 343475985 /nfs/dbraw/zinc/47/59/85/343475985.db2.gz AHUQZIMLHXXZQI-MRVPVSSYSA-N 1 0 214.359 2.296 10 0 BEAERO Cc1ccc([C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000044116828 343491699 /nfs/dbraw/zinc/49/16/99/343491699.db2.gz JHMZZTIILPJORG-UMVBOHGHSA-N 1 0 249.354 2.138 10 0 BEAERO COC(=O)c1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000044135438 343492463 /nfs/dbraw/zinc/49/24/63/343492463.db2.gz IEQZQZOYCGACDC-LBPRGKRZSA-N 1 0 219.284 2.288 10 0 BEAERO CC[C@H]([NH2+]C[C@](C)(O)CSC)[C@@H]1C[C@@H]1C ZINC000321752170 343531994 /nfs/dbraw/zinc/53/19/94/343531994.db2.gz BEHDWIHKPXRAJF-USZNOCQGSA-N 1 0 231.405 2.125 10 0 BEAERO Cn1cc(C[NH2+]CCCCCO)c2ccccc21 ZINC000045945068 343536072 /nfs/dbraw/zinc/53/60/72/343536072.db2.gz BLKYWVOZNZQOHH-UHFFFAOYSA-N 1 0 246.354 2.431 10 0 BEAERO Cc1ccc2cc([C@]34C[C@H]3C[NH2+]C4)ccc2n1 ZINC000204539912 343571249 /nfs/dbraw/zinc/57/12/49/343571249.db2.gz FZKWOHSFKFNHOS-DZGCQCFKSA-N 1 0 224.307 2.404 10 0 BEAERO Cc1nccc([C@H]2[NH2+]CCc3ccsc32)n1 ZINC000712501031 537787436 /nfs/dbraw/zinc/78/74/36/537787436.db2.gz DFMYXHPFTHFZAK-LLVKDONJSA-N 1 0 231.324 2.082 10 0 BEAERO c1cc([C@@H]2[NH2+]CCc3ccsc32)sn1 ZINC000712513988 537787538 /nfs/dbraw/zinc/78/75/38/537787538.db2.gz BKYOCXIMTZCRQZ-VIFPVBQESA-N 1 0 222.338 2.440 10 0 BEAERO Cc1nn(C)cc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712536722 537788800 /nfs/dbraw/zinc/78/88/00/537788800.db2.gz IBHANMQBJXJERT-LLVKDONJSA-N 1 0 233.340 2.025 10 0 BEAERO C[C@]1([C@H]2CCOC2)[NH2+]CCc2ccsc21 ZINC000712513788 537786633 /nfs/dbraw/zinc/78/66/33/537786633.db2.gz YBBPJGGFQBVFSE-CMPLNLGQSA-N 1 0 223.341 2.146 10 0 BEAERO CCCC1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624236253 343580854 /nfs/dbraw/zinc/58/08/54/343580854.db2.gz ZSRVOAMFRXYAQI-CLRIEMFWSA-N 1 0 241.375 2.085 10 0 BEAERO CCCC1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624236254 343580872 /nfs/dbraw/zinc/58/08/72/343580872.db2.gz ZSRVOAMFRXYAQI-HOAMVYINSA-N 1 0 241.375 2.085 10 0 BEAERO CC(C)c1ccc2c(c1)[C@H](CC[NH3+])C(=O)N2 ZINC000105381328 537790902 /nfs/dbraw/zinc/79/09/02/537790902.db2.gz DUJULJRXIHGUKP-JTQLQIEISA-N 1 0 218.300 2.195 10 0 BEAERO CC[C@]([NH3+])(CO)c1cccc(Br)c1 ZINC000234189602 343620425 /nfs/dbraw/zinc/62/04/25/343620425.db2.gz KTGDULBUGCBYHX-JTQLQIEISA-N 1 0 244.132 2.005 10 0 BEAERO C[C@@H]1C[C@]2(CCN1C)[NH2+]CCc1ccsc12 ZINC000712553352 537791732 /nfs/dbraw/zinc/79/17/32/537791732.db2.gz RCSQXFGBYHOGMZ-MFKMUULPSA-N 1 0 236.384 2.203 10 0 BEAERO C[C@H]1C[C@]2(CCO1)[NH2+]CCc1ccsc12 ZINC000712542360 537793075 /nfs/dbraw/zinc/79/30/75/537793075.db2.gz IJNGSVLVEUKAJW-CABZTGNLSA-N 1 0 223.341 2.288 10 0 BEAERO COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)sn1 ZINC000399203779 488226750 /nfs/dbraw/zinc/22/67/50/488226750.db2.gz MJOWHLSDPQWOQJ-JMJZKYOTSA-N 1 0 238.356 2.430 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])C1(C)CCCCC1 ZINC000205046202 343614093 /nfs/dbraw/zinc/61/40/93/343614093.db2.gz NJSUQYUWIDWRJS-SNVBAGLBSA-N 1 0 213.321 2.237 10 0 BEAERO FC1(F)CC[C@H]([C@@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000712970866 537796346 /nfs/dbraw/zinc/79/63/46/537796346.db2.gz MGIJDAIWYZWYQU-CBAPKCEASA-N 1 0 227.258 2.032 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCCS1 ZINC000379996139 365788186 /nfs/dbraw/zinc/78/81/86/365788186.db2.gz ILPMEIXVUNAATD-MNOVXSKESA-N 1 0 231.405 2.269 10 0 BEAERO NNc1ccc(COCc2ccccc2)c[nH+]1 ZINC000051148433 343622878 /nfs/dbraw/zinc/62/28/78/343622878.db2.gz OVABBJKAWOGROM-UHFFFAOYSA-N 1 0 229.283 2.084 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](c2ccccc2N)C1 ZINC000616613415 349825670 /nfs/dbraw/zinc/82/56/70/349825670.db2.gz IYULSXDNTWDUME-NSHDSACASA-N 1 0 204.317 2.467 10 0 BEAERO COC(=O)C[C@@](C)([NH3+])c1ccc(Cl)cc1 ZINC000086851216 343631090 /nfs/dbraw/zinc/63/10/90/343631090.db2.gz VWMKAMWFGCFHCX-LLVKDONJSA-N 1 0 227.691 2.077 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1cccc(F)c1 ZINC000054685982 343690884 /nfs/dbraw/zinc/69/08/84/343690884.db2.gz RQJBXOAQMIQBTG-GJZGRUSLSA-N 1 0 245.297 2.429 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccsc2)C[C@@H]1C ZINC000227282922 343715164 /nfs/dbraw/zinc/71/51/64/343715164.db2.gz KACZYGXJGDNUAX-GXSJLCMTSA-N 1 0 210.346 2.182 10 0 BEAERO C[C@H](C[NH3+])[C@@H](O)c1cccc(F)c1Cl ZINC000165552261 343717967 /nfs/dbraw/zinc/71/79/67/343717967.db2.gz GLWMXOKTESOBGA-LHLIQPBNSA-N 1 0 217.671 2.107 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1nc2cccnc2[nH]1 ZINC000044264187 343780721 /nfs/dbraw/zinc/78/07/21/343780721.db2.gz FJBACVQNYKLTFM-MRVPVSSYSA-N 1 0 204.277 2.004 10 0 BEAERO C[NH2+]Cc1cnn(CCCc2ccccc2)c1 ZINC000054719122 343789257 /nfs/dbraw/zinc/78/92/57/343789257.db2.gz AZGIMSZMORNIEW-UHFFFAOYSA-N 1 0 229.327 2.235 10 0 BEAERO c1nn(C[C@@H]2CCC[NH2+]2)cc1-c1ccccc1 ZINC000054961440 343789334 /nfs/dbraw/zinc/78/93/34/343789334.db2.gz IWFVKVHBROPGAW-AWEZNQCLSA-N 1 0 227.311 2.302 10 0 BEAERO c1nn(C[C@H]2CCC[NH2+]2)cc1-c1ccccc1 ZINC000054961441 343789416 /nfs/dbraw/zinc/78/94/16/343789416.db2.gz IWFVKVHBROPGAW-CQSZACIVSA-N 1 0 227.311 2.302 10 0 BEAERO CC[C@@H]([NH2+]Cc1cn(C(C)C)nn1)C(C)C ZINC000309175213 346974112 /nfs/dbraw/zinc/97/41/12/346974112.db2.gz BZJIXARTPNRNAZ-GFCCVEGCSA-N 1 0 224.352 2.383 10 0 BEAERO CCCCN(Cc1ccccc1)C(=O)C[NH2+]C ZINC000409426126 343821294 /nfs/dbraw/zinc/82/12/94/343821294.db2.gz DAMUFQDDNKEEFU-UHFFFAOYSA-N 1 0 234.343 2.035 10 0 BEAERO CC(C)(C)OC(=O)Cc1ccc(CCC[NH3+])cc1 ZINC000409431806 343822870 /nfs/dbraw/zinc/82/28/70/343822870.db2.gz LHWMQSVCKRCWMK-UHFFFAOYSA-N 1 0 249.354 2.462 10 0 BEAERO COC(=O)[C@]12CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409431645 343824181 /nfs/dbraw/zinc/82/41/81/343824181.db2.gz RRJBIWLHSMLLKD-HIFRSBDPSA-N 1 0 245.322 2.072 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1c1ccc2c(c1)CCO2 ZINC000409432494 343824659 /nfs/dbraw/zinc/82/46/59/343824659.db2.gz OIIGXFMTFIWHGQ-LBPRGKRZSA-N 1 0 217.312 2.335 10 0 BEAERO c1cc(-c2cnn(C[C@@H]3CCC[NH2+]3)c2)cs1 ZINC000409437504 343843675 /nfs/dbraw/zinc/84/36/75/343843675.db2.gz HIDGEOZPZYXOFH-LBPRGKRZSA-N 1 0 233.340 2.364 10 0 BEAERO c1cc(-c2ccn(C[C@H]3CCC[NH2+]3)n2)cs1 ZINC000409439488 343847441 /nfs/dbraw/zinc/84/74/41/343847441.db2.gz IMVFKASWHARUGP-LLVKDONJSA-N 1 0 233.340 2.364 10 0 BEAERO C[NH2+]Cc1c(-c2ccncc2)n[nH]c1C1CC1 ZINC000409437832 343848984 /nfs/dbraw/zinc/84/89/84/343848984.db2.gz AKCQOVRLRMDSHY-UHFFFAOYSA-N 1 0 228.299 2.069 10 0 BEAERO [NH3+]Cc1c(C2CCC2)[nH]nc1C(F)(F)F ZINC000409440215 343851040 /nfs/dbraw/zinc/85/10/40/343851040.db2.gz LNEWVPXFFXKBHF-UHFFFAOYSA-N 1 0 219.210 2.155 10 0 BEAERO CCn1nc([C@@H]2CCC[NH2+]C2)c2c1CCCC2 ZINC000409440176 343851479 /nfs/dbraw/zinc/85/14/79/343851479.db2.gz SGKRJCBODYZJGP-LLVKDONJSA-N 1 0 233.359 2.249 10 0 BEAERO Nc1cc(-c2cccs2)nn1C1CC[NH2+]CC1 ZINC000409440357 343851808 /nfs/dbraw/zinc/85/18/08/343851808.db2.gz SMFFIQXPEXCVHN-UHFFFAOYSA-N 1 0 248.355 2.118 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000409440300 343851988 /nfs/dbraw/zinc/85/19/88/343851988.db2.gz KNILMTLVOPFDSZ-RKDXNWHRSA-N 1 0 209.293 2.049 10 0 BEAERO C[C@H]([NH3+])c1cnn(CC2CC(C)(C)C2)c1 ZINC000575623387 343875887 /nfs/dbraw/zinc/87/58/87/343875887.db2.gz NUSRQIMBSPDMIP-VIFPVBQESA-N 1 0 207.321 2.339 10 0 BEAERO CC(C)=CCn1cc(C2CC[NH2+]CC2)cn1 ZINC000575623431 343876238 /nfs/dbraw/zinc/87/62/38/343876238.db2.gz QNXFZWIBZQSYBH-UHFFFAOYSA-N 1 0 219.332 2.316 10 0 BEAERO Cc1nc(C)c(COC[C@H]2CCC[NH2+]C2)s1 ZINC000585144309 343879521 /nfs/dbraw/zinc/87/95/21/343879521.db2.gz KJZBXGDUIKAKQI-NSHDSACASA-N 1 0 240.372 2.276 10 0 BEAERO C[N@@H+]1C[C@@H](CO)C[C@@H]1c1cccc(Cl)c1 ZINC000409442299 343857677 /nfs/dbraw/zinc/85/76/77/343857677.db2.gz UPUMMBCBMAMHRE-JOYOIKCWSA-N 1 0 225.719 2.325 10 0 BEAERO [NH2+]=C(NO)[C@H](Cc1ccccc1)n1cccc1 ZINC000409442457 343858346 /nfs/dbraw/zinc/85/83/46/343858346.db2.gz VJEVCDBNUXBGJG-LBPRGKRZSA-N 1 0 229.283 2.228 10 0 BEAERO CCc1[nH]nc(-c2ccoc2)c1CCC(N)=[NH2+] ZINC000409441376 343858946 /nfs/dbraw/zinc/85/89/46/343858946.db2.gz RMFZGKYXWSVJFS-UHFFFAOYSA-N 1 0 232.287 2.101 10 0 BEAERO C[NH2+]Cc1cc(-c2cccnc2)nn1C(F)F ZINC000409443915 343863527 /nfs/dbraw/zinc/86/35/27/343863527.db2.gz WNJSNVBTVLDABG-UHFFFAOYSA-N 1 0 238.241 2.060 10 0 BEAERO Cc1ccc(C[NH2+]C2CCC(CO)CC2)cn1 ZINC000360713490 178600943 /nfs/dbraw/zinc/60/09/43/178600943.db2.gz MICQOTWVHGKHFJ-UHFFFAOYSA-N 1 0 234.343 2.031 10 0 BEAERO CC(C)n1nc(-c2ccncc2)cc1CC[NH3+] ZINC000409443988 343864005 /nfs/dbraw/zinc/86/40/05/343864005.db2.gz XZBAUFHKRZDKHT-UHFFFAOYSA-N 1 0 230.315 2.027 10 0 BEAERO CCn1nc(-c2ccsc2)cc1CC[NH3+] ZINC000409443117 343865531 /nfs/dbraw/zinc/86/55/31/343865531.db2.gz HHWUISHVFNLFSN-UHFFFAOYSA-N 1 0 221.329 2.133 10 0 BEAERO [NH3+]Cc1cc(-c2ccccc2)nn1C(F)F ZINC000409443194 343865917 /nfs/dbraw/zinc/86/59/17/343865917.db2.gz IOYIKMLEWMAOHO-UHFFFAOYSA-N 1 0 223.226 2.404 10 0 BEAERO Cc1cc(C(F)(F)F)nn1[C@H]1CCC[NH2+]C1 ZINC000409443178 343866151 /nfs/dbraw/zinc/86/61/51/343866151.db2.gz IGMWWUBEJPAVGQ-QMMMGPOBSA-N 1 0 233.237 2.135 10 0 BEAERO C[NH2+]Cc1cc(-c2ccncc2)nn1C(F)F ZINC000409443172 343866158 /nfs/dbraw/zinc/86/61/58/343866158.db2.gz IFGSISZXJNWVKC-UHFFFAOYSA-N 1 0 238.241 2.060 10 0 BEAERO c1cn2c(n1)CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000309640940 343938979 /nfs/dbraw/zinc/93/89/79/343938979.db2.gz UNVWBRFMQSBFSR-LLVKDONJSA-N 1 0 233.340 2.049 10 0 BEAERO C[C@H]([NH3+])Cc1csc(-c2ccoc2)n1 ZINC000165629455 343940343 /nfs/dbraw/zinc/94/03/43/343940343.db2.gz NRUSCKCMEALEOS-ZETCQYMHSA-N 1 0 208.286 2.293 10 0 BEAERO CCN1CCC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799377 343943298 /nfs/dbraw/zinc/94/32/98/343943298.db2.gz OHWMLHVCDQOEQZ-QWRGUYRKSA-N 1 0 210.346 2.232 10 0 BEAERO CC[NH+]1CCC(c2ccccc2N)CC1 ZINC000220074518 343918318 /nfs/dbraw/zinc/91/83/18/343918318.db2.gz VVZMSJGIPABPJS-UHFFFAOYSA-N 1 0 204.317 2.468 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000220074045 343918350 /nfs/dbraw/zinc/91/83/50/343918350.db2.gz JMAWHWVXWMJCNU-GFCCVEGCSA-N 1 0 204.317 2.468 10 0 BEAERO CC[C@@H](CC(F)F)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000641182869 362259287 /nfs/dbraw/zinc/25/92/87/362259287.db2.gz UMBZNJDJVFJBLQ-QMMMGPOBSA-N 1 0 246.305 2.153 10 0 BEAERO COC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000393793862 343928976 /nfs/dbraw/zinc/92/89/76/343928976.db2.gz NPWRHBVNOOEKSS-VIFPVBQESA-N 1 0 238.718 2.336 10 0 BEAERO [NH3+][C@@]1(Cc2ccc(Cl)s2)CCCOC1 ZINC000070012640 343946767 /nfs/dbraw/zinc/94/67/67/343946767.db2.gz IMRJVNRFWSBOEQ-SNVBAGLBSA-N 1 0 231.748 2.452 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)c(C)c1 ZINC000125766772 178620139 /nfs/dbraw/zinc/62/01/39/178620139.db2.gz ARDBVGSRGLPKMP-OLZOCXBDSA-N 1 0 221.344 2.410 10 0 BEAERO C[C@@H]1OCC[C@@H]1S[C@@H]1CCCC[NH2+]C1 ZINC000235328584 343955235 /nfs/dbraw/zinc/95/52/35/343955235.db2.gz CPQHURVRWNMLRT-AXFHLTTASA-N 1 0 215.362 2.039 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)o1 ZINC000164263181 178624019 /nfs/dbraw/zinc/62/40/19/178624019.db2.gz AWVHHSGEVVMOCP-WCQYABFASA-N 1 0 223.316 2.229 10 0 BEAERO CSC[C@H](C)Nc1ccc(N)c(C)[nH+]1 ZINC000127241609 344064710 /nfs/dbraw/zinc/06/47/10/344064710.db2.gz WZDKRWQJMRSTDI-ZETCQYMHSA-N 1 0 211.334 2.136 10 0 BEAERO CC(C)C(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616569659 344171160 /nfs/dbraw/zinc/17/11/60/344171160.db2.gz BRKYHHSRNAVOJD-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)=CC(=O)N1CC[C@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616569623 344171267 /nfs/dbraw/zinc/17/12/67/344171267.db2.gz JEXLNRPEERWNGQ-CHWSQXEVSA-N 1 0 238.375 2.175 10 0 BEAERO COc1ccc(F)cc1-c1ncccc1C[NH3+] ZINC000257369309 344123845 /nfs/dbraw/zinc/12/38/45/344123845.db2.gz QINPGRWWHVGGMB-UHFFFAOYSA-N 1 0 232.258 2.355 10 0 BEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(C)C ZINC000249745926 362361045 /nfs/dbraw/zinc/36/10/45/362361045.db2.gz ZPBWFDYMOVZCPM-UPJWGTAASA-N 1 0 239.359 2.449 10 0 BEAERO O=C(O[C@@H]1C[C@H]2CCC[C@@H]1[NH2+]2)C1CCCCC1 ZINC000026507518 344147480 /nfs/dbraw/zinc/14/74/80/344147480.db2.gz MITFBVJTVLMZJU-FRRDWIJNSA-N 1 0 237.343 2.393 10 0 BEAERO COC(C)(C)C[C@@H]1[NH2+]C(C)(C)CS1 ZINC000234614718 344156690 /nfs/dbraw/zinc/15/66/90/344156690.db2.gz MDGFFNSYIPCRAG-MRVPVSSYSA-N 1 0 203.351 2.243 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])c2nc(C(F)(F)F)ccc2N1 ZINC000218061572 344214304 /nfs/dbraw/zinc/21/43/04/344214304.db2.gz OMBQLJBDANDAIU-PHDIDXHHSA-N 1 0 231.221 2.304 10 0 BEAERO C[NH2+]Cc1nc2cc(F)c(Cl)cc2[nH]1 ZINC000306531414 344240196 /nfs/dbraw/zinc/24/01/96/344240196.db2.gz AGYWSEFKMSSNEQ-UHFFFAOYSA-N 1 0 213.643 2.075 10 0 BEAERO C/C=C\C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000616572612 344184678 /nfs/dbraw/zinc/18/46/78/344184678.db2.gz SVKOWMINNYHJHH-SROOVFNMSA-N 1 0 230.311 2.042 10 0 BEAERO CC1(C)CCN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000084231950 344189583 /nfs/dbraw/zinc/18/95/83/344189583.db2.gz PJHDTNJPMKQDGF-CYBMUJFWSA-N 1 0 218.344 2.246 10 0 BEAERO CCC(CC)(CC[NH3+])NC(=O)OC(C)(C)C ZINC000084424317 344192153 /nfs/dbraw/zinc/19/21/53/344192153.db2.gz BBWWWPBJGDIZBR-UHFFFAOYSA-N 1 0 230.352 2.419 10 0 BEAERO COc1cc(CC[NH3+])c(OC)c2ccccc12 ZINC000027213282 344238563 /nfs/dbraw/zinc/23/85/63/344238563.db2.gz VKWQEEWEGKDTDE-UHFFFAOYSA-N 1 0 231.295 2.358 10 0 BEAERO C[C@H](Cc1ccsc1)[NH2+]Cc1cncnc1 ZINC000054768112 344251618 /nfs/dbraw/zinc/25/16/18/344251618.db2.gz FSWOSWBSMPJKNB-SNVBAGLBSA-N 1 0 233.340 2.259 10 0 BEAERO COc1cccc(Br)c1C[C@@H](C)[NH3+] ZINC000013450408 362371996 /nfs/dbraw/zinc/37/19/96/362371996.db2.gz VMDZBCVKHFIYOO-SSDOTTSWSA-N 1 0 244.132 2.347 10 0 BEAERO CC(C)(C)NC(=[NH2+])C1CCSCC1 ZINC000402040279 344281000 /nfs/dbraw/zinc/28/10/00/344281000.db2.gz IIKLNPWBHRLNJD-UHFFFAOYSA-N 1 0 200.351 2.495 10 0 BEAERO CC[C@@H](Oc1c(C)cccc1C)C1=[NH+]CCN1 ZINC000027704185 344289728 /nfs/dbraw/zinc/28/97/28/344289728.db2.gz WPHKHVBMBVJDSQ-GFCCVEGCSA-N 1 0 232.327 2.463 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H](C)[C@@H](CO)SC ZINC000133230553 344315435 /nfs/dbraw/zinc/31/54/35/344315435.db2.gz JJSOXVDESNLHMO-HBNTYKKESA-N 1 0 219.394 2.125 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H](CCO)C(C)C ZINC000133292840 344317080 /nfs/dbraw/zinc/31/70/80/344317080.db2.gz LQWQCQQNZBJGGV-NEPJUHHUSA-N 1 0 201.354 2.419 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1c1cc(C(F)(F)F)ccn1 ZINC000385177697 344360367 /nfs/dbraw/zinc/36/03/67/344360367.db2.gz WBPVTJKFSIMZIU-APPZFPTMSA-N 1 0 245.248 2.026 10 0 BEAERO Cc1nnc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)n1C ZINC000249774311 362387828 /nfs/dbraw/zinc/38/78/28/362387828.db2.gz VQQIBAYQQVUOPY-CHWSQXEVSA-N 1 0 248.374 2.278 10 0 BEAERO CSc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794885 347047867 /nfs/dbraw/zinc/04/78/67/347047867.db2.gz WAIVQNBMFLPAMQ-UHFFFAOYSA-N 1 0 200.694 2.346 10 0 BEAERO Brc1cnccc1C[C@H]1CCC[NH2+]1 ZINC000217086064 344482443 /nfs/dbraw/zinc/48/24/43/344482443.db2.gz SUFBPOKXRYDRMJ-SECBINFHSA-N 1 0 241.132 2.139 10 0 BEAERO Cc1ccc(F)c([C@@](C)(F)C[NH3+])c1F ZINC000158241364 344570633 /nfs/dbraw/zinc/57/06/33/344570633.db2.gz OFOLNUMIMYAURO-JTQLQIEISA-N 1 0 203.207 2.417 10 0 BEAERO COc1cc([C@](C)(F)C[NH3+])ccc1Cl ZINC000158250401 344571940 /nfs/dbraw/zinc/57/19/40/344571940.db2.gz ASHCSAQJKSVMQF-SNVBAGLBSA-N 1 0 217.671 2.492 10 0 BEAERO COc1ccc(Br)c([C@H]2C[C@@H]2[NH3+])c1 ZINC000234968820 344520334 /nfs/dbraw/zinc/52/03/34/344520334.db2.gz UWIHBCRGOXQXHF-SCZZXKLOSA-N 1 0 242.116 2.272 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616614370 344529125 /nfs/dbraw/zinc/52/91/25/344529125.db2.gz LJUVDZFOJDTIBX-OAHLLOKOSA-N 1 0 233.355 2.419 10 0 BEAERO C[NH+](C)[C@H]1CCCc2c(O)cccc2C1 ZINC000215707718 349912056 /nfs/dbraw/zinc/91/20/56/349912056.db2.gz AAROKDJUEWAEAY-NSHDSACASA-N 1 0 205.301 2.201 10 0 BEAERO F[C@@]1(CC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000158097489 344541927 /nfs/dbraw/zinc/54/19/27/344541927.db2.gz ZSEGOSDZCWHESW-WDEREUQCSA-N 1 0 201.285 2.037 10 0 BEAERO C[C@@](F)(C[NH3+])[C@H]1CCOC2(CCC2)C1 ZINC000158252791 344575014 /nfs/dbraw/zinc/57/50/14/344575014.db2.gz MNSSQPJTIIOEJO-VHSXEESVSA-N 1 0 201.285 2.023 10 0 BEAERO C1CC(NC2=[NH+]CCCCC2)CCS1 ZINC000220732356 344575832 /nfs/dbraw/zinc/57/58/32/344575832.db2.gz ZSAJJTNUYJVPCW-UHFFFAOYSA-N 1 0 212.362 2.444 10 0 BEAERO C(N1CCCCCC1)C12CCC(CC1)[NH2+]2 ZINC000675056879 537849448 /nfs/dbraw/zinc/84/94/48/537849448.db2.gz YDTYQGMKMAZRLZ-UHFFFAOYSA-N 1 0 208.349 2.147 10 0 BEAERO c1nc2c([nH]1)[C@@H](CCCC1CC1)[NH2+]CC2 ZINC000720161686 537852125 /nfs/dbraw/zinc/85/21/25/537852125.db2.gz HOQFBQDXUBUASV-SNVBAGLBSA-N 1 0 205.305 2.177 10 0 BEAERO c1nc2c([nH]1)[C@H](CCCC1CC1)[NH2+]CC2 ZINC000720161683 537852187 /nfs/dbraw/zinc/85/21/87/537852187.db2.gz HOQFBQDXUBUASV-JTQLQIEISA-N 1 0 205.305 2.177 10 0 BEAERO CN(C)c1ccc(OC(F)(F)F)cc1C[NH3+] ZINC000396122935 344609026 /nfs/dbraw/zinc/60/90/26/344609026.db2.gz VPEKBWGDLYCEQR-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO C[C@@H]1CCC[C@@H]([C@@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000400389287 537853486 /nfs/dbraw/zinc/85/34/86/537853486.db2.gz JURBAHRKGDTISC-FOGDFJRCSA-N 1 0 219.332 2.423 10 0 BEAERO CN(CCO)C(=[NH2+])Cc1ccc2ccccc2c1 ZINC000029414425 344601867 /nfs/dbraw/zinc/60/18/67/344601867.db2.gz OYFPYEKRNXDCCZ-UHFFFAOYSA-N 1 0 242.322 2.284 10 0 BEAERO [NH3+][C@@H]1CCC[C@@](F)(Cc2nccs2)C1 ZINC000158425562 344649385 /nfs/dbraw/zinc/64/93/85/344649385.db2.gz HPUMCFIZYAKRPG-SCZZXKLOSA-N 1 0 214.309 2.295 10 0 BEAERO CC1CCC([C@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000400399063 537854486 /nfs/dbraw/zinc/85/44/86/537854486.db2.gz NIYGNRVXNAXHRS-RTYFJBAXSA-N 1 0 219.332 2.423 10 0 BEAERO CC(C)C[C@@H](C)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400408734 537854900 /nfs/dbraw/zinc/85/49/00/537854900.db2.gz ROMPDCYJOYENHL-MWLCHTKSSA-N 1 0 207.321 2.279 10 0 BEAERO CCC[C@]1(C2CCC2)[NH2+]CCc2nc[nH]c21 ZINC000400406811 537855059 /nfs/dbraw/zinc/85/50/59/537855059.db2.gz QTALTKYMOVPWLH-CYBMUJFWSA-N 1 0 219.332 2.351 10 0 BEAERO c1[nH]nc2c1CC[N@@H+](Cc1ccccc1)CC2 ZINC000115387520 344708960 /nfs/dbraw/zinc/70/89/60/344708960.db2.gz PEJXGIXLNJDHNZ-UHFFFAOYSA-N 1 0 227.311 2.011 10 0 BEAERO CC(C)N(C(=O)O[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000231563293 344715947 /nfs/dbraw/zinc/71/59/47/344715947.db2.gz SBLXPCPMMIJHIM-GHMZBOCLSA-N 1 0 228.336 2.122 10 0 BEAERO CCOC(OCC)c1ccc(C[NH2+]C)cc1 ZINC000117880604 344759334 /nfs/dbraw/zinc/75/93/34/344759334.db2.gz IRMGNFFWKWLUBR-UHFFFAOYSA-N 1 0 223.316 2.478 10 0 BEAERO Cc1ccc([C@@](C)(O)[C@@H]2CCC[NH2+]2)s1 ZINC000166194150 344779914 /nfs/dbraw/zinc/77/99/14/344779914.db2.gz PHLRTGXPJJUACN-ONGXEEELSA-N 1 0 211.330 2.016 10 0 BEAERO Cc1ccc(N)cc1N[C@H]1CCC[N@@H+](C)C1 ZINC000053735168 178709313 /nfs/dbraw/zinc/70/93/13/178709313.db2.gz LNDCBJMUWSAQKA-LBPRGKRZSA-N 1 0 219.332 2.083 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@H](C)C2)c(C)c1 ZINC000049661597 178713406 /nfs/dbraw/zinc/71/34/06/178713406.db2.gz FJRJEQHJAUVPEG-LBPRGKRZSA-N 1 0 218.344 2.349 10 0 BEAERO CC[C@@H]1CC=C([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052726 537859048 /nfs/dbraw/zinc/85/90/48/537859048.db2.gz IGRHHORDNMIIEX-SCZZXKLOSA-N 1 0 237.265 2.375 10 0 BEAERO CC1(C)CCC([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675053302 537865524 /nfs/dbraw/zinc/86/55/24/537865524.db2.gz MKORRBLROFOCAE-SNVBAGLBSA-N 1 0 239.281 2.455 10 0 BEAERO CC1=NN(C)C(=O)C1c1cccc(C[NH+](C)C)c1 ZINC000675053483 537865996 /nfs/dbraw/zinc/86/59/96/537865996.db2.gz IAKDSXJICQBRPV-UHFFFAOYSA-N 1 0 245.326 2.163 10 0 BEAERO C[C@@H]1CCC[NH2+][C@H]1CCNC(=O)OC(C)(C)C ZINC000307728853 344851350 /nfs/dbraw/zinc/85/13/50/344851350.db2.gz ICACCNRRVDAXDM-MNOVXSKESA-N 1 0 242.363 2.289 10 0 BEAERO C[C@@H]1CCC[NH2+][C@@H]1CCNC(=O)OC(C)(C)C ZINC000307707963 344851365 /nfs/dbraw/zinc/85/13/65/344851365.db2.gz ICACCNRRVDAXDM-GHMZBOCLSA-N 1 0 242.363 2.289 10 0 BEAERO C[C@H]1SCC[C@]12[NH2+]C[C@@H](C)CS2 ZINC000235326916 344884130 /nfs/dbraw/zinc/88/41/30/344884130.db2.gz FSLFRPLVDASOLK-IWSPIJDZSA-N 1 0 203.376 2.181 10 0 BEAERO CC(C)(C)OC(=O)c1ccccc1CC[NH3+] ZINC000070533012 537869930 /nfs/dbraw/zinc/86/99/30/537869930.db2.gz CKAVJIJGGZZWIX-UHFFFAOYSA-N 1 0 221.300 2.143 10 0 BEAERO C[C@@H]1C[C@@H](C(F)(F)F)n2cc[nH+]c2N1 ZINC000235352323 344893177 /nfs/dbraw/zinc/89/31/77/344893177.db2.gz GQXRHBQJLRNERR-RITPCOANSA-N 1 0 205.183 2.191 10 0 BEAERO C[C@@H](NC(=[NH2+])NC1CC1)c1ccsc1 ZINC000061368294 344922659 /nfs/dbraw/zinc/92/26/59/344922659.db2.gz NGCBLIWGIKWYPT-SSDOTTSWSA-N 1 0 209.318 2.085 10 0 BEAERO CC[C@@H]1CC[N@H+](C[C@@H]2CCCCC2=O)C1 ZINC000166651484 344950532 /nfs/dbraw/zinc/95/05/32/344950532.db2.gz FTYOUKMSHYOGDD-NEPJUHHUSA-N 1 0 209.333 2.478 10 0 BEAERO [NH3+][C@]12CN(Cc3ccccc3)C[C@@H]1CCCC2 ZINC000307124522 344983996 /nfs/dbraw/zinc/98/39/96/344983996.db2.gz YSRKXDRZBDXBAH-LSDHHAIUSA-N 1 0 230.355 2.390 10 0 BEAERO [NH3+][C@@H](CCO)c1ccc(F)c(C(F)(F)F)c1 ZINC000044233051 344988507 /nfs/dbraw/zinc/98/85/07/344988507.db2.gz WZEOTQWVSNWXOJ-VIFPVBQESA-N 1 0 237.196 2.227 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccco1 ZINC000123364522 344997408 /nfs/dbraw/zinc/99/74/08/344997408.db2.gz ZHALJMIQFZUDQR-LBPRGKRZSA-N 1 0 222.332 2.196 10 0 BEAERO COc1cc([C@@H]([NH3+])CF)ccc1Cl ZINC000238417284 345045812 /nfs/dbraw/zinc/04/58/12/345045812.db2.gz HKFYZFAFOGPHCS-QMMMGPOBSA-N 1 0 203.644 2.318 10 0 BEAERO [NH3+][C@H](CCO)c1c(Cl)cccc1Cl ZINC000044396343 345051283 /nfs/dbraw/zinc/05/12/83/345051283.db2.gz RWDWDNMIKIBVGZ-MRVPVSSYSA-N 1 0 220.099 2.376 10 0 BEAERO C[C@H]([NH3+])Cc1nc2c(s1)C[C@H](C)CC2 ZINC000011883675 345051443 /nfs/dbraw/zinc/05/14/43/345051443.db2.gz GYEXSCNUZQSGJM-SFYZADRCSA-N 1 0 210.346 2.158 10 0 BEAERO CCC[C@@H](C(=O)N1CCC2(CCC2)C1)[NH+](C)C ZINC000154242051 345022341 /nfs/dbraw/zinc/02/23/41/345022341.db2.gz NHBCWKWHAVLLJN-LBPRGKRZSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1ccc(Br)c2c1[C@@H]([NH3+])CO2 ZINC000238533072 345071198 /nfs/dbraw/zinc/07/11/98/345071198.db2.gz WVZRIHJQUQFGTI-ZETCQYMHSA-N 1 0 228.089 2.150 10 0 BEAERO Cc1cc(F)cc(C(=O)C2([NH3+])CCC2)c1 ZINC000226778997 345074871 /nfs/dbraw/zinc/07/48/71/345074871.db2.gz ZCCVWULRFMXJRY-UHFFFAOYSA-N 1 0 207.248 2.198 10 0 BEAERO [NH3+]Cc1c(Cl)ccnc1OC(F)(F)F ZINC000238602513 345089592 /nfs/dbraw/zinc/08/95/92/345089592.db2.gz ZYZCSUDEXQRMMG-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO [NH3+][C@H](CF)c1cc(O)ccc1Br ZINC000238684401 345109467 /nfs/dbraw/zinc/10/94/67/345109467.db2.gz GDRUDTGQQFSTEH-MRVPVSSYSA-N 1 0 234.068 2.124 10 0 BEAERO Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000037808001 178832694 /nfs/dbraw/zinc/83/26/94/178832694.db2.gz LHEDKCTWUHROKF-OCCSQVGLSA-N 1 0 246.354 2.266 10 0 BEAERO Cc1ccc([C@@H](C)N2CC[NH2+]CC2)s1 ZINC000022128857 178834314 /nfs/dbraw/zinc/83/43/14/178834314.db2.gz JZOUWZJUNMAQQM-SNVBAGLBSA-N 1 0 210.346 2.023 10 0 BEAERO C[C@H]([NH3+])c1noc(-c2ccc(Cl)o2)n1 ZINC000225440953 345151932 /nfs/dbraw/zinc/15/19/32/345151932.db2.gz PNHYFTZJQYHNSE-BYPYZUCNSA-N 1 0 213.624 2.003 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](C(F)F)C[C@@H]2C ZINC000720941606 537892123 /nfs/dbraw/zinc/89/21/23/537892123.db2.gz RVSCVDFGAHXXSL-NKWVEPMBSA-N 1 0 201.220 2.202 10 0 BEAERO Cc1nc(COc2cc(C)ccc2[C@@H](C)[NH3+])no1 ZINC000104328847 178835114 /nfs/dbraw/zinc/83/51/14/178835114.db2.gz OFCGNKGKYVKHJQ-SECBINFHSA-N 1 0 247.298 2.285 10 0 BEAERO CCC(O)(CC)C[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000626112039 345278016 /nfs/dbraw/zinc/27/80/16/345278016.db2.gz LKWHJVILAXWIFY-QWHCGFSZSA-N 1 0 243.391 2.020 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](C(F)F)C[C@@H]2C ZINC000720941601 537892828 /nfs/dbraw/zinc/89/28/28/537892828.db2.gz RVSCVDFGAHXXSL-BQBZGAKWSA-N 1 0 201.220 2.202 10 0 BEAERO COC[C@H](C)C[NH2+]CCOc1cccc(C)c1 ZINC000131893870 345311202 /nfs/dbraw/zinc/31/12/02/345311202.db2.gz RESYBGWGUJIEMB-CYBMUJFWSA-N 1 0 237.343 2.246 10 0 BEAERO CC[C@@H]1C[NH+]=C(NC[C@@H]2CCSC2)S1 ZINC000228589180 345370012 /nfs/dbraw/zinc/37/00/12/345370012.db2.gz SEJKFNXXOQGOMK-DTWKUNHWSA-N 1 0 230.402 2.211 10 0 BEAERO CCC1CC[NH+](C[C@@H](N)C(C)(C)C)CC1 ZINC000042446644 168527458 /nfs/dbraw/zinc/52/74/58/168527458.db2.gz LBHKUXBJPQMGTE-GFCCVEGCSA-N 1 0 212.381 2.482 10 0 BEAERO Cc1ccc([C@@H]([NH3+])[C@@H]2CCCOC2)cc1 ZINC000062230391 178859100 /nfs/dbraw/zinc/85/91/00/178859100.db2.gz IEACFNVLLKXVLY-CHWSQXEVSA-N 1 0 205.301 2.421 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)CC[C@@H]1O ZINC000159428674 345433464 /nfs/dbraw/zinc/43/34/64/345433464.db2.gz DYBHPPXEOJWDLA-ZLDLUXBVSA-N 1 0 231.339 2.029 10 0 BEAERO CCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158998392 345395350 /nfs/dbraw/zinc/39/53/50/345395350.db2.gz ILPHOXCSAQHMTE-RYUDHWBXSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)[C@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000251374064 345493917 /nfs/dbraw/zinc/49/39/17/345493917.db2.gz GMILKAIXHXFOEF-ZIAGYGMSSA-N 1 0 218.344 2.102 10 0 BEAERO Cc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)cc1C ZINC000032010507 178868806 /nfs/dbraw/zinc/86/88/06/178868806.db2.gz RUPIOMHHRVRLLC-CHWSQXEVSA-N 1 0 205.301 2.089 10 0 BEAERO Cc1cnn([C@@H](c2ccc(C)cc2)[C@@H](C)[NH3+])c1 ZINC000042910187 178870440 /nfs/dbraw/zinc/87/04/40/178870440.db2.gz DREPEYFGSKMUDM-TZMCWYRMSA-N 1 0 229.327 2.437 10 0 BEAERO CCC1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC000054135500 168530673 /nfs/dbraw/zinc/53/06/73/168530673.db2.gz JSLGLBZGRFZUBZ-ZDUSSCGKSA-N 1 0 210.365 2.251 10 0 BEAERO CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@@H]1O ZINC000159494758 345466760 /nfs/dbraw/zinc/46/67/60/345466760.db2.gz HGBZITKGXRUALW-JSGCOSHPSA-N 1 0 237.318 2.419 10 0 BEAERO COc1cc(F)cc(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000090972461 345578310 /nfs/dbraw/zinc/57/83/10/345578310.db2.gz NXJDRRJQMISCNV-TVQRCGJNSA-N 1 0 239.290 2.101 10 0 BEAERO Cc1cc([C@@H](O)[C@@H]([NH3+])CC(C)C)cc(C)c1O ZINC000054929298 345565163 /nfs/dbraw/zinc/56/51/63/345565163.db2.gz OAGXCCZCPKDGDZ-GXTWGEPZSA-N 1 0 237.343 2.416 10 0 BEAERO Cc1cc([C@@H](O)[C@H]([NH3+])CC(C)C)cc(C)c1O ZINC000054929296 345565480 /nfs/dbraw/zinc/56/54/80/345565480.db2.gz OAGXCCZCPKDGDZ-TZMCWYRMSA-N 1 0 237.343 2.416 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]CC2CC(O)C2)c1 ZINC000091525875 345596228 /nfs/dbraw/zinc/59/62/28/345596228.db2.gz SJJLPRAMFOWUBN-DCBWTQNWSA-N 1 0 219.328 2.417 10 0 BEAERO C[C@@H]1CC(N)=[NH+]N1c1ccccc1Cl ZINC000137409431 345625914 /nfs/dbraw/zinc/62/59/14/345625914.db2.gz DBFGEQQYXYSILM-SSDOTTSWSA-N 1 0 209.680 2.211 10 0 BEAERO CC[C@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1O ZINC000253290315 345641367 /nfs/dbraw/zinc/64/13/67/345641367.db2.gz PQRVAWUIQXVUHR-GXTWGEPZSA-N 1 0 237.318 2.419 10 0 BEAERO Cc1ccc([C@H]([NH3+])[C@@H]2CCOC2)c(C)c1 ZINC000048622788 178907916 /nfs/dbraw/zinc/90/79/16/178907916.db2.gz KDQMAVIALQCSAU-DGCLKSJQSA-N 1 0 205.301 2.340 10 0 BEAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2cccnc2)o1 ZINC000036770927 178903321 /nfs/dbraw/zinc/90/33/21/178903321.db2.gz DGZCTEMTQKUZEG-ZDUSSCGKSA-N 1 0 245.326 2.115 10 0 BEAERO C[C@@H](c1ccco1)[N@@H+]1CCCC[C@H]1CO ZINC000253606230 345692281 /nfs/dbraw/zinc/69/22/81/345692281.db2.gz KNVFRZBZYOLLJH-QWRGUYRKSA-N 1 0 209.289 2.187 10 0 BEAERO Cc1ccc([C@@H](C)CN[C@@H]2CC[NH2+]C2)cc1 ZINC000215652693 345742517 /nfs/dbraw/zinc/74/25/17/345742517.db2.gz UZXQTQYKDAEPGR-GXTWGEPZSA-N 1 0 218.344 2.050 10 0 BEAERO C[NH2+]C[C@@H]1CCCc2cc(OC)c(OC)cc21 ZINC000214297322 345759391 /nfs/dbraw/zinc/75/93/91/345759391.db2.gz OYQYYRSRGRYKKE-NSHDSACASA-N 1 0 235.327 2.343 10 0 BEAERO O=C1Nc2ccccc2[C@@H]1C[C@@H]1CCC[NH2+]C1 ZINC000214056489 345711828 /nfs/dbraw/zinc/71/18/28/345711828.db2.gz VLHPOKVWDSCPNN-JQWIXIFHSA-N 1 0 230.311 2.112 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000308876495 537908351 /nfs/dbraw/zinc/90/83/51/537908351.db2.gz DAYSBAJLIZBTDD-AGIUHOORSA-N 1 0 211.349 2.269 10 0 BEAERO CCCC/C=C/S(=O)(=O)C[C@H]([NH3+])CCC ZINC000206722997 345758037 /nfs/dbraw/zinc/75/80/37/345758037.db2.gz WXNLFNIMROEMAR-MXMFLMJRSA-N 1 0 233.377 2.233 10 0 BEAERO c1coc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000097103954 537910148 /nfs/dbraw/zinc/91/01/48/537910148.db2.gz UNZVSOGFRUOCQF-LBPRGKRZSA-N 1 0 231.299 2.141 10 0 BEAERO C[C@@H]1CCc2nc([C@H]3CCCC[NH2+]3)cn2C1 ZINC000258487923 345784652 /nfs/dbraw/zinc/78/46/52/345784652.db2.gz QUCSTXBJJMZJDV-GHMZBOCLSA-N 1 0 219.332 2.280 10 0 BEAERO C[NH2+]C[C@@H]1Cc2cccc(-c3cccnc3)c2O1 ZINC000167651669 345795827 /nfs/dbraw/zinc/79/58/27/345795827.db2.gz VJUIMGNUQZCPBN-ZDUSSCGKSA-N 1 0 240.306 2.272 10 0 BEAERO Cc1ccc([C@](C)([NH2+]CC2CC2)C(N)=O)cc1C ZINC000037952205 178926119 /nfs/dbraw/zinc/92/61/19/178926119.db2.gz AUIRTDAETRKAJL-HNNXBMFYSA-N 1 0 246.354 2.004 10 0 BEAERO Cc1cc2[nH]c3c(c2cc1C)C[NH2+]CC3 ZINC000034985410 345846496 /nfs/dbraw/zinc/84/64/96/345846496.db2.gz QXTKEVMSLNLIOB-UHFFFAOYSA-N 1 0 200.285 2.430 10 0 BEAERO Cn1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000159102590 347088189 /nfs/dbraw/zinc/08/81/89/347088189.db2.gz JTGNDYJVJYZBSH-UHFFFAOYSA-N 1 0 244.067 2.057 10 0 BEAERO [NH3+]CCN1c2ccccc2[C@H]2CCC[C@H]21 ZINC000137673979 345847844 /nfs/dbraw/zinc/84/78/44/345847844.db2.gz BPDJHMJWBAUWOX-DGCLKSJQSA-N 1 0 202.301 2.101 10 0 BEAERO [NH3+]CCN1c2ccccc2[C@H]2CCC[C@@H]21 ZINC000137673799 345848350 /nfs/dbraw/zinc/84/83/50/345848350.db2.gz BPDJHMJWBAUWOX-YPMHNXCESA-N 1 0 202.301 2.101 10 0 BEAERO C[NH+]1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC000034595715 345831550 /nfs/dbraw/zinc/83/15/50/345831550.db2.gz FMSIBCNEDXCMKA-UHFFFAOYSA-N 1 0 239.265 2.489 10 0 BEAERO CCCCCNc1cc(NC)[nH+]c(C)n1 ZINC000087807968 345941902 /nfs/dbraw/zinc/94/19/02/345941902.db2.gz YGMDBPCEYRCKRU-UHFFFAOYSA-N 1 0 208.309 2.429 10 0 BEAERO Cc1nc(N[C@H]2CCCC[C@@H]2C)cc(N)[nH+]1 ZINC000087808216 345942270 /nfs/dbraw/zinc/94/22/70/345942270.db2.gz QYJBYPDUTCEYJY-WPRPVWTQSA-N 1 0 220.320 2.358 10 0 BEAERO Cc1nc(NCC2CCCCC2)cc(N)[nH+]1 ZINC000087810222 345942408 /nfs/dbraw/zinc/94/24/08/345942408.db2.gz NRVANPWFZQVQAX-UHFFFAOYSA-N 1 0 220.320 2.359 10 0 BEAERO CCOC[C@@H](C)[NH2+]Cc1ccc(CC)o1 ZINC000051724988 345945289 /nfs/dbraw/zinc/94/52/89/345945289.db2.gz BGXOXNSMYROVLI-SNVBAGLBSA-N 1 0 211.305 2.357 10 0 BEAERO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648654 345990992 /nfs/dbraw/zinc/99/09/92/345990992.db2.gz LLBUBVWGIBFGNJ-UMSGYPCISA-N 1 0 240.391 2.315 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000094647816 345991013 /nfs/dbraw/zinc/99/10/13/345991013.db2.gz SDTSKEUVSFDTED-GRYCIOLGSA-N 1 0 240.391 2.268 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000300313014 346024966 /nfs/dbraw/zinc/02/49/66/346024966.db2.gz WCLCKNKWHYJDBJ-MELADBBJSA-N 1 0 243.391 2.190 10 0 BEAERO C[C@H]1Oc2cc(F)c(Br)cc2[C@@H]1[NH3+] ZINC000148401118 346087985 /nfs/dbraw/zinc/08/79/85/346087985.db2.gz FPSKEIWZXGUYPV-ALFREKQPSA-N 1 0 246.079 2.369 10 0 BEAERO Cc1coc(S[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000235941074 346173438 /nfs/dbraw/zinc/17/34/38/346173438.db2.gz CUVHQAZILXJCSD-RKDXNWHRSA-N 1 0 212.318 2.345 10 0 BEAERO CC(C)(C)C(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675054660 537956190 /nfs/dbraw/zinc/95/61/90/537956190.db2.gz ISLVAQBVOLLPCG-UHFFFAOYSA-N 1 0 238.375 2.166 10 0 BEAERO [NH3+]CC1(Nc2ccc(Br)cc2)CC1 ZINC000236232919 346213112 /nfs/dbraw/zinc/21/31/12/346213112.db2.gz QGOHQYMAFPEOTK-UHFFFAOYSA-N 1 0 241.132 2.352 10 0 BEAERO c1ncc(C[NH2+]CCOCc2ccccc2)s1 ZINC000136272277 346182164 /nfs/dbraw/zinc/18/21/64/346182164.db2.gz QQNFZPJNZOBKLI-UHFFFAOYSA-N 1 0 248.351 2.450 10 0 BEAERO C=Cc1ccc2c(c1)[n+](=O)c(C)c(C)n2O ZINC000364320459 346192339 /nfs/dbraw/zinc/19/23/39/346192339.db2.gz BXBKIRFJFLYKAV-UHFFFAOYSA-N 1 0 217.248 2.053 10 0 BEAERO [NH3+]Cc1coc(-c2ccoc2Br)n1 ZINC000236262222 346218101 /nfs/dbraw/zinc/21/81/01/346218101.db2.gz CYXFTFYECVNXKE-UHFFFAOYSA-N 1 0 243.060 2.156 10 0 BEAERO [NH3+][C@H]1C[C@@]12CCc1c2cccc1Br ZINC000236318530 346224979 /nfs/dbraw/zinc/22/49/79/346224979.db2.gz FHPYTRUVDKROCY-WDEREUQCSA-N 1 0 238.128 2.364 10 0 BEAERO Clc1cccc(CC2=[NH+]CCCN2)c1 ZINC000034333181 346247381 /nfs/dbraw/zinc/24/73/81/346247381.db2.gz ISXRKUCAYZYCOM-UHFFFAOYSA-N 1 0 208.692 2.274 10 0 BEAERO Cc1cccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)c1 ZINC000035689907 179023728 /nfs/dbraw/zinc/02/37/28/179023728.db2.gz OQLHSEKXQZPGMJ-GFCCVEGCSA-N 1 0 246.354 2.113 10 0 BEAERO Cc1cccc(C(=O)NCC[C@@H]2CCCC[NH2+]2)c1 ZINC000019438071 179017257 /nfs/dbraw/zinc/01/72/57/179017257.db2.gz XGFSAWPVCCJTMS-AWEZNQCLSA-N 1 0 246.354 2.257 10 0 BEAERO Cc1cccc(C(=O)NC[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000062036678 179018840 /nfs/dbraw/zinc/01/88/40/179018840.db2.gz HZSNHEUOAGGKIY-STQMWFEESA-N 1 0 246.354 2.113 10 0 BEAERO C[C@](O)(COCc1ccccc1)C1(C[NH3+])CCC1 ZINC000669377628 537964842 /nfs/dbraw/zinc/96/48/42/537964842.db2.gz VJOROPXPNZNZCZ-AWEZNQCLSA-N 1 0 249.354 2.083 10 0 BEAERO Cc1cccc(C(=O)N[C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000035690732 179021055 /nfs/dbraw/zinc/02/10/55/179021055.db2.gz VWLKWIKPZWUPJN-GXTWGEPZSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1cccc(C)c1NC(=O)[C@H](C)CC[NH3+] ZINC000076610123 179042758 /nfs/dbraw/zinc/04/27/58/179042758.db2.gz ITBTWTWTQPJXSE-LLVKDONJSA-N 1 0 220.316 2.227 10 0 BEAERO Cc1cccc(CN2CCC[NH2+][C@@H](C)C2)c1 ZINC000062609099 179073991 /nfs/dbraw/zinc/07/39/91/179073991.db2.gz DEYSSRPXHOJXDJ-ZDUSSCGKSA-N 1 0 218.344 2.179 10 0 BEAERO [NH3+]C[C@@H](F)Cc1c(F)cccc1Cl ZINC000158053983 346390480 /nfs/dbraw/zinc/39/04/80/346390480.db2.gz FQQPMQVIBYMBOP-LURJTMIESA-N 1 0 205.635 2.318 10 0 BEAERO CC[C@@](F)(C[NH3+])c1c(F)cccc1F ZINC000158345127 346394407 /nfs/dbraw/zinc/39/44/07/346394407.db2.gz DDVWZDJFWGMJOH-SNVBAGLBSA-N 1 0 203.207 2.498 10 0 BEAERO Cc1cc([C@@H]2CC[NH2+][C@@H](C)C2)cc(F)n1 ZINC000669379342 537976874 /nfs/dbraw/zinc/97/68/74/537976874.db2.gz YPLGOWXEYPCCCA-WCBMZHEXSA-N 1 0 208.280 2.385 10 0 BEAERO Cc1cc([C@H]2CC[NH2+][C@H](C)C2)cc(F)n1 ZINC000669379341 537977881 /nfs/dbraw/zinc/97/78/81/537977881.db2.gz YPLGOWXEYPCCCA-SCZZXKLOSA-N 1 0 208.280 2.385 10 0 BEAERO Cc1cccc(C[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000107935412 179082465 /nfs/dbraw/zinc/08/24/65/179082465.db2.gz LOGSCLUNSQFVNH-CYBMUJFWSA-N 1 0 219.328 2.199 10 0 BEAERO Cc1cccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000072397524 179084446 /nfs/dbraw/zinc/08/44/46/179084446.db2.gz SAMMNJWOFUJVTN-ZFWWWQNUSA-N 1 0 245.370 2.059 10 0 BEAERO CC1=NN(C)C(=O)C1c1ccc([C@H](C)[NH3+])cc1 ZINC000675054937 537980690 /nfs/dbraw/zinc/98/06/90/537980690.db2.gz WVEVPCLZYUTHEE-QMMMGPOBSA-N 1 0 231.299 2.121 10 0 BEAERO CCC(CC)[NH2+][C@@H]1C[C@H]2CCCCN2C1 ZINC000725241904 537981058 /nfs/dbraw/zinc/98/10/58/537981058.db2.gz VTTKHQBNQVMILI-CHWSQXEVSA-N 1 0 210.365 2.391 10 0 BEAERO Cc1cccc(C[NH2+]CCc2c[nH]cn2)c1C ZINC000083356976 179092107 /nfs/dbraw/zinc/09/21/07/179092107.db2.gz LNKXYBGNMDIIPG-UHFFFAOYSA-N 1 0 229.327 2.359 10 0 BEAERO Cc1cccc(C[NH2+]Cc2cncnc2)c1 ZINC000054767094 179096011 /nfs/dbraw/zinc/09/60/11/179096011.db2.gz DWJWTFIYOOLNIL-UHFFFAOYSA-N 1 0 213.284 2.075 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019946100 179099937 /nfs/dbraw/zinc/09/99/37/179099937.db2.gz PCDNILMRSUMARD-OAHLLOKOSA-N 1 0 230.355 2.179 10 0 BEAERO Cc1cccc(C[C@@](C)(O)[C@H]2CCC[NH2+]C2)c1 ZINC000104120967 179103969 /nfs/dbraw/zinc/10/39/69/179103969.db2.gz UXALIBDFYXRQEX-LSDHHAIUSA-N 1 0 233.355 2.288 10 0 BEAERO Cc1cccc(C[C@@H]2CSC[C@H]2[NH3+])c1 ZINC000098099609 179104148 /nfs/dbraw/zinc/10/41/48/179104148.db2.gz IHTMGNPLJGQRNP-VXGBXAGGSA-N 1 0 207.342 2.228 10 0 BEAERO Cc1cccc(C[C@@H]2CSC[C@@H]2[NH3+])c1 ZINC000098099607 179104477 /nfs/dbraw/zinc/10/44/77/179104477.db2.gz IHTMGNPLJGQRNP-NEPJUHHUSA-N 1 0 207.342 2.228 10 0 BEAERO Cc1cccc(C[C@H]([NH3+])C2CCOCC2)c1 ZINC000061672995 179106487 /nfs/dbraw/zinc/10/64/87/179106487.db2.gz CSNJXBLFLAYPME-AWEZNQCLSA-N 1 0 219.328 2.291 10 0 BEAERO [NH3+]C1CCN([C@H]2CCc3cc(F)ccc32)CC1 ZINC000162654256 346533737 /nfs/dbraw/zinc/53/37/37/346533737.db2.gz OQNYPPFRGHTFJS-AWEZNQCLSA-N 1 0 234.318 2.236 10 0 BEAERO Cc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000040747245 179116011 /nfs/dbraw/zinc/11/60/11/179116011.db2.gz BAZVXZJEAPGYBV-FUNVUKJBSA-N 1 0 231.343 2.109 10 0 BEAERO Fc1cccc2c1[C@H]([NH2+]CC1CC1)CO2 ZINC000374674329 346543435 /nfs/dbraw/zinc/54/34/35/346543435.db2.gz CACINCQCSYVFIW-SNVBAGLBSA-N 1 0 207.248 2.259 10 0 BEAERO Cc1cccc(N(CCC[NH3+])C(=O)NC2CC2)c1 ZINC000054456893 179118931 /nfs/dbraw/zinc/11/89/31/179118931.db2.gz ATZVMOMWLKCNAG-UHFFFAOYSA-N 1 0 247.342 2.022 10 0 BEAERO Cc1cccc(N)c1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000037909985 179120653 /nfs/dbraw/zinc/12/06/53/179120653.db2.gz BHACPHODLKZICS-NSHDSACASA-N 1 0 247.342 2.000 10 0 BEAERO Cc1cccc(N2CCC[NH2+]C[C@@H](C)C2)c1 ZINC000049665477 179121843 /nfs/dbraw/zinc/12/18/43/179121843.db2.gz DEOXULDDKOEMLE-CYBMUJFWSA-N 1 0 218.344 2.431 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](O)c1cccc(Br)c1 ZINC000164166678 346594338 /nfs/dbraw/zinc/59/43/38/346594338.db2.gz FBCYDXXZESUMPF-GMSGAONNSA-N 1 0 244.132 2.220 10 0 BEAERO COC[C@H]([NH3+])c1csc(Br)c1 ZINC000164308126 346599975 /nfs/dbraw/zinc/59/99/75/346599975.db2.gz QHCFEHKUEPZUKG-LURJTMIESA-N 1 0 236.134 2.157 10 0 BEAERO CC[C@@](O)(C[NH3+])c1cc(F)ccc1Cl ZINC000164373166 346602779 /nfs/dbraw/zinc/60/27/79/346602779.db2.gz GYXMNQVMSCYFCE-SNVBAGLBSA-N 1 0 217.671 2.035 10 0 BEAERO Cc1ncsc1[C@@H]([NH3+])Cc1nccs1 ZINC000164528121 346608323 /nfs/dbraw/zinc/60/83/23/346608323.db2.gz IQUUKLPYQDTPJD-ZETCQYMHSA-N 1 0 225.342 2.151 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2ncc(C)s2)C1 ZINC000302769172 346610081 /nfs/dbraw/zinc/61/00/81/346610081.db2.gz AZYATQXARUVQSX-SNVBAGLBSA-N 1 0 225.361 2.348 10 0 BEAERO Cc1cccc(NC(=O)CC[C@H](C)C[NH3+])c1 ZINC000076610341 179127529 /nfs/dbraw/zinc/12/75/29/179127529.db2.gz WEDHYAAPKWKTOU-NSHDSACASA-N 1 0 220.316 2.309 10 0 BEAERO Cc1cccc(N(CC[NH3+])C2CCCC2)n1 ZINC000053706246 179119786 /nfs/dbraw/zinc/11/97/86/179119786.db2.gz VGVKNZDWFUCBID-UHFFFAOYSA-N 1 0 219.332 2.098 10 0 BEAERO CC(C)C1CCC([N@@H+]2CCNC[C@H]2C)CC1 ZINC000669380034 537985041 /nfs/dbraw/zinc/98/50/41/537985041.db2.gz GNSFXJNLDMKGTN-IYXRBSQSSA-N 1 0 224.392 2.495 10 0 BEAERO Fc1cnccc1N1CCC2(CC[NH2+]CC2)CC1 ZINC000585681339 346653726 /nfs/dbraw/zinc/65/37/26/346653726.db2.gz NCMKKPXFNRHWCI-UHFFFAOYSA-N 1 0 249.333 2.191 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000019517108 179138915 /nfs/dbraw/zinc/13/89/15/179138915.db2.gz NSETVEYXEVMFNK-VXGBXAGGSA-N 1 0 232.327 2.322 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000019488087 179141321 /nfs/dbraw/zinc/14/13/21/179141321.db2.gz ARBOOHRKBAEREK-DGCLKSJQSA-N 1 0 232.327 2.464 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000019488088 179141612 /nfs/dbraw/zinc/14/16/12/179141612.db2.gz ARBOOHRKBAEREK-WCQYABFASA-N 1 0 232.327 2.464 10 0 BEAERO C[C@@]1(C(=O)c2ccsc2)CCC[C@H]1[NH3+] ZINC000226835111 346696991 /nfs/dbraw/zinc/69/69/91/346696991.db2.gz DSIOQBZZUWVVKA-MWLCHTKSSA-N 1 0 209.314 2.448 10 0 BEAERO Cc1cccc(N[C@@H](C)C[NH+]2CCCC2)n1 ZINC000049184146 179153380 /nfs/dbraw/zinc/15/33/80/179153380.db2.gz PKNUMGQHRYBKPD-LBPRGKRZSA-N 1 0 219.332 2.286 10 0 BEAERO Cc1cccc(N[C@H]2CC[N@@H+](C)C2)c1C ZINC000061984688 179158106 /nfs/dbraw/zinc/15/81/06/179158106.db2.gz FYRMKZVERIAOMZ-LBPRGKRZSA-N 1 0 204.317 2.419 10 0 BEAERO CSc1ccc(C(N)=[NH2+])cc1Br ZINC000169214894 346755714 /nfs/dbraw/zinc/75/57/14/346755714.db2.gz CKFDXYCDFGRCOA-UHFFFAOYSA-N 1 0 245.145 2.455 10 0 BEAERO C[C@]1(CCC(F)(F)F)[NH2+]CCc2nc[nH]c21 ZINC000725242759 537986434 /nfs/dbraw/zinc/98/64/34/537986434.db2.gz QPEZXERBFSOWSJ-SECBINFHSA-N 1 0 233.237 2.113 10 0 BEAERO Cc1cccc(OCCCN2CCC[NH2+]CC2)c1 ZINC000036946383 179164450 /nfs/dbraw/zinc/16/44/50/179164450.db2.gz AYYSBVOTEXWABO-UHFFFAOYSA-N 1 0 248.370 2.059 10 0 BEAERO Cc1cccc(OCCCC(N)=[NH2+])c1C ZINC000019513082 179165207 /nfs/dbraw/zinc/16/52/07/179165207.db2.gz XZDDZNOWOCWNQK-UHFFFAOYSA-N 1 0 206.289 2.398 10 0 BEAERO Cc1cccc(OCC[N@@H+](C)[C@H]2CCC[C@@H]2O)c1 ZINC000352691302 179166991 /nfs/dbraw/zinc/16/69/91/179166991.db2.gz GCBBQBFGGOAMAH-GJZGRUSLSA-N 1 0 249.354 2.219 10 0 BEAERO CCCC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000019282129 168565323 /nfs/dbraw/zinc/56/53/23/168565323.db2.gz IIEYFBRRQOIKJY-VIFPVBQESA-N 1 0 206.289 2.445 10 0 BEAERO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000378676017 346802974 /nfs/dbraw/zinc/80/29/74/346802974.db2.gz PGPPHYLRWDYLJX-UMSGYPCISA-N 1 0 227.323 2.041 10 0 BEAERO Cc1cccc(OCC[C@@H](C[NH3+])N2CCCC2)c1 ZINC000019664421 179169013 /nfs/dbraw/zinc/16/90/13/179169013.db2.gz OYAVMOPLUPGPSG-AWEZNQCLSA-N 1 0 248.370 2.187 10 0 BEAERO Cc1cccc(N[C@]2(CO)CC[N@@H+](C3CC3)C2)c1 ZINC000061992124 179158385 /nfs/dbraw/zinc/15/83/85/179158385.db2.gz CGVHFAODEATQMM-OAHLLOKOSA-N 1 0 246.354 2.006 10 0 BEAERO [NH3+][C@H]1CC[C@H](Oc2nc(Cl)cs2)CC1 ZINC000299892508 347151087 /nfs/dbraw/zinc/15/10/87/347151087.db2.gz ZVUPAYHTRWIDDQ-LJGSYFOKSA-N 1 0 232.736 2.445 10 0 BEAERO Cc1cccc(O[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000037169973 179174989 /nfs/dbraw/zinc/17/49/89/179174989.db2.gz DTQWEYHZRRHYPH-VIFPVBQESA-N 1 0 219.206 2.263 10 0 BEAERO C[C@H]([NH3+])c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000038778937 347164881 /nfs/dbraw/zinc/16/48/81/347164881.db2.gz LLSFXOUAPAZFIV-JTQLQIEISA-N 1 0 241.294 2.354 10 0 BEAERO CC[NH2+][C@H]1CCc2cc(OC)c(OC)cc2C1 ZINC000039341658 347189858 /nfs/dbraw/zinc/18/98/58/347189858.db2.gz YPTIWIGMNDLRJJ-LBPRGKRZSA-N 1 0 235.327 2.171 10 0 BEAERO Cc1nccn1[C@H](C[NH3+])c1cccc(C)c1 ZINC000042967751 179184320 /nfs/dbraw/zinc/18/43/20/179184320.db2.gz GOPQOQGQAFJWMK-CYBMUJFWSA-N 1 0 215.300 2.048 10 0 BEAERO CCC[C@H](C)c1nc([C@@H]2CC[NH2+]C2)no1 ZINC000669380235 537987329 /nfs/dbraw/zinc/98/73/29/537987329.db2.gz KAVXKVSXGGYOKB-DTWKUNHWSA-N 1 0 209.293 2.050 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000382257321 347251165 /nfs/dbraw/zinc/25/11/65/347251165.db2.gz WLBALPCFNUYWIR-QNWHQSFQSA-N 1 0 211.349 2.293 10 0 BEAERO CCCC[C@H](CC)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000310001448 347216968 /nfs/dbraw/zinc/21/69/68/347216968.db2.gz FBFLHFRYJMGJIW-GRYCIOLGSA-N 1 0 226.364 2.212 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000382198366 347228953 /nfs/dbraw/zinc/22/89/53/347228953.db2.gz IXFZPEXJKDAWKA-GWNIPJSYSA-N 1 0 209.333 2.332 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000382198367 347229223 /nfs/dbraw/zinc/22/92/23/347229223.db2.gz IXFZPEXJKDAWKA-JHEVNIALSA-N 1 0 209.333 2.332 10 0 BEAERO Cc1cccc([C@H]2[NH2+]CCc3cc(O)ccc32)n1 ZINC000033390297 179204920 /nfs/dbraw/zinc/20/49/20/179204920.db2.gz SKSZOMKGBNRXFL-HNNXBMFYSA-N 1 0 240.306 2.331 10 0 BEAERO C[N@H+](C[C@@H]1CCCCC1=O)[C@H]1CCSC1 ZINC000250400166 362802561 /nfs/dbraw/zinc/80/25/61/362802561.db2.gz MDXDUBOBLGZWTO-QWRGUYRKSA-N 1 0 227.373 2.183 10 0 BEAERO Cc1cccc([C@](O)([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784500 179205131 /nfs/dbraw/zinc/20/51/31/179205131.db2.gz CNHOSQVSNPCTLU-WCBMZHEXSA-N 1 0 233.233 2.092 10 0 BEAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)CS1 ZINC000382371247 347294471 /nfs/dbraw/zinc/29/44/71/347294471.db2.gz GKWWSTHGIUVBES-KKOKHZNYSA-N 1 0 229.389 2.284 10 0 BEAERO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C)CS1 ZINC000382371248 347294675 /nfs/dbraw/zinc/29/46/75/347294675.db2.gz GKWWSTHGIUVBES-WRWGMCAJSA-N 1 0 229.389 2.284 10 0 BEAERO Cc1cccc([S@@](=O)CC2CC[NH2+]CC2)c1 ZINC000083308816 179207333 /nfs/dbraw/zinc/20/73/33/179207333.db2.gz FQSNSVBIXCAVJC-MRXNPFEDSA-N 1 0 237.368 2.102 10 0 BEAERO Cc1nc(S[C@@H](C[NH3+])c2cccc(C)c2)n[nH]1 ZINC000042970505 179198624 /nfs/dbraw/zinc/19/86/24/179198624.db2.gz GPDCKJFQMKOBOU-NSHDSACASA-N 1 0 248.355 2.214 10 0 BEAERO Cc1cccc([C@H](C[NH3+])OC[C@@H]2CCCO2)c1 ZINC000042968422 179198853 /nfs/dbraw/zinc/19/88/53/179198853.db2.gz IJGHFRHGPQPHHO-KBPBESRZSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1cccc([C@H](CN)[N@@H+]2CC[C@H](C)C2)c1 ZINC000042278865 179199105 /nfs/dbraw/zinc/19/91/05/179199105.db2.gz GYUBDCLMWFRYSC-JSGCOSHPSA-N 1 0 218.344 2.337 10 0 BEAERO Cc1cccc([C@H](C[NH3+])OC[C@H]2CCCO2)c1 ZINC000042968426 179199259 /nfs/dbraw/zinc/19/92/59/179199259.db2.gz IJGHFRHGPQPHHO-KGLIPLIRSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1cccc([C@H]([NH3+])C2CCOCC2)c1 ZINC000068957035 179200162 /nfs/dbraw/zinc/20/01/62/179200162.db2.gz OKQSDCXJZBMJEP-CYBMUJFWSA-N 1 0 205.301 2.421 10 0 BEAERO Cc1cccc([C@H](O)[C@@H]([NH3+])CC(C)C)c1 ZINC000054929465 179202090 /nfs/dbraw/zinc/20/20/90/179202090.db2.gz PWAIGLAHCUMNNR-STQMWFEESA-N 1 0 207.317 2.402 10 0 BEAERO CC(C)[S@](=O)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000250579068 362810973 /nfs/dbraw/zinc/81/09/73/362810973.db2.gz RRDBCOBIZNGPLK-RULNRJAQSA-N 1 0 217.378 2.050 10 0 BEAERO Cc1cccc([C@H](O)C2CC[NH2+]CC2)c1C ZINC000041233246 179202578 /nfs/dbraw/zinc/20/25/78/179202578.db2.gz GOPWQCCKVYHQIF-CQSZACIVSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)C2CC2)c1 ZINC000042965923 179203161 /nfs/dbraw/zinc/20/31/61/179203161.db2.gz UUAIIOZRZXDUCU-RISCZKNCSA-N 1 0 218.344 2.478 10 0 BEAERO Cc1cnn([C@H](c2cccc(C)c2)[C@H](C)[NH3+])c1 ZINC000042967812 179203858 /nfs/dbraw/zinc/20/38/58/179203858.db2.gz SRFPDOLTCGESBQ-JSGCOSHPSA-N 1 0 229.327 2.437 10 0 BEAERO Cc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H](C)O ZINC000119011730 179214893 /nfs/dbraw/zinc/21/48/93/179214893.db2.gz DLKSVHRMIQOHDW-RISCZKNCSA-N 1 0 219.328 2.343 10 0 BEAERO Cc1cccc2c([C@H](O)CCC[NH3+])c[nH]c21 ZINC000074082612 179213522 /nfs/dbraw/zinc/21/35/22/179213522.db2.gz NDAMHBMXSCASHX-GFCCVEGCSA-N 1 0 218.300 2.249 10 0 BEAERO CCC1CCC([NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000396622174 362826412 /nfs/dbraw/zinc/82/64/12/362826412.db2.gz BIBAKLAFTRJQGJ-BPCQOVAHSA-N 1 0 238.375 2.214 10 0 BEAERO Cc1cccc2cc(N3CC[NH2+]CC3)oc21 ZINC000082970204 179226521 /nfs/dbraw/zinc/22/65/21/179226521.db2.gz WPZBCQNQRKGSQT-UHFFFAOYSA-N 1 0 216.284 2.151 10 0 BEAERO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=S ZINC000036677868 347435637 /nfs/dbraw/zinc/43/56/37/347435637.db2.gz QDAFHHFTMGQUFL-BBBLOLIVSA-N 1 0 214.378 2.172 10 0 BEAERO Cc1ccccc1C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000035689929 179250486 /nfs/dbraw/zinc/25/04/86/179250486.db2.gz NGARASVZRYQABO-LBPRGKRZSA-N 1 0 246.354 2.113 10 0 BEAERO CC[C@@H]([NH3+])[C@H](O)c1ccccc1OC(F)F ZINC000036779201 347573034 /nfs/dbraw/zinc/57/30/34/347573034.db2.gz DGXAOTIJWUKTOL-PSASIEDQSA-N 1 0 231.242 2.059 10 0 BEAERO Cc1ccccc1CC(=O)[C@H]1CCC[NH2+]C1 ZINC000041230091 179260872 /nfs/dbraw/zinc/26/08/72/179260872.db2.gz HJGKLEJDRCYFJD-ZDUSSCGKSA-N 1 0 217.312 2.106 10 0 BEAERO Cc1ccccc1C1CC([NH2+]C[C@H](C)O)C1 ZINC000036846502 179256227 /nfs/dbraw/zinc/25/62/27/179256227.db2.gz LJOIKNCDWYETGZ-HIFPTAJRSA-N 1 0 219.328 2.211 10 0 BEAERO Cc1ccccc1CN(CC(C)C)C(=O)CC[NH3+] ZINC000032103958 179271638 /nfs/dbraw/zinc/27/16/38/179271638.db2.gz NMKDWHWJENDHKJ-UHFFFAOYSA-N 1 0 248.370 2.328 10 0 BEAERO Cc1ccccc1CN(C)[C@@H]1CCC[NH2+]C1 ZINC000043501441 179268801 /nfs/dbraw/zinc/26/88/01/179268801.db2.gz MMYQYLDEEQGSMC-CQSZACIVSA-N 1 0 218.344 2.179 10 0 BEAERO Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000050682857 179269693 /nfs/dbraw/zinc/26/96/93/179269693.db2.gz KZGNRIHCNHYYSW-KGLIPLIRSA-N 1 0 219.328 2.340 10 0 BEAERO CCCN(CC)Cc1nc(C=O)cs1 ZINC000616569542 347767764 /nfs/dbraw/zinc/76/77/64/347767764.db2.gz VXWXINCEGDXTMX-UHFFFAOYSA-N 1 0 212.318 2.188 10 0 BEAERO C[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)(C)C ZINC000616569550 347767830 /nfs/dbraw/zinc/76/78/30/347767830.db2.gz ACLMIYCYKIOSJE-WOPDTQHZSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000037856597 179284111 /nfs/dbraw/zinc/28/41/11/179284111.db2.gz HONVXHAAIOOUGG-UONOGXRCSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1ccccc1Cn1cccc1CC[NH3+] ZINC000071519072 179294581 /nfs/dbraw/zinc/29/45/81/179294581.db2.gz VUJVTBYGRPEGEQ-UHFFFAOYSA-N 1 0 214.312 2.346 10 0 BEAERO Cc1ccccc1N(C)C(=O)C1(C)CC[NH2+]CC1 ZINC000062841417 179294829 /nfs/dbraw/zinc/29/48/29/179294829.db2.gz BKZOXULQMMAVSS-UHFFFAOYSA-N 1 0 246.354 2.348 10 0 BEAERO Cc1ccccc1NC(=O)CSCCC[NH3+] ZINC000058250063 179298840 /nfs/dbraw/zinc/29/88/40/179298840.db2.gz FMSRHFIZNQEQRJ-UHFFFAOYSA-N 1 0 238.356 2.016 10 0 BEAERO Cc1ccccc1Oc1ccc(C[NH3+])nn1 ZINC000051548004 179313564 /nfs/dbraw/zinc/31/35/64/179313564.db2.gz ZWENSPSADIELKK-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1csc(C[NH2+]C[C@@H]2CCCCN2C)n1 ZINC000054243371 1172097372 /nfs/dbraw/zinc/09/73/72/1172097372.db2.gz OUKJREHJVUOVCO-NSHDSACASA-N 1 0 239.388 2.025 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])CN(C)C1CC1 ZINC000037081028 179325185 /nfs/dbraw/zinc/32/51/85/179325185.db2.gz XGRYIZUESXAFEY-ZDUSSCGKSA-N 1 0 204.317 2.089 10 0 BEAERO Cc1ccccc1[C@@H](O)[C@H]([NH3+])CC(C)C ZINC000054929572 179326625 /nfs/dbraw/zinc/32/66/25/179326625.db2.gz KEYODPLQBUWIQW-CHWSQXEVSA-N 1 0 207.317 2.402 10 0 BEAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C1CC1 ZINC000043034382 179328276 /nfs/dbraw/zinc/32/82/76/179328276.db2.gz LNZZAWSMPRXVOB-BXUZGUMPSA-N 1 0 218.344 2.478 10 0 BEAERO Cc1ccccc1[C@@H](Sc1nc[nH]n1)[C@@H](C)[NH3+] ZINC000043040758 179329130 /nfs/dbraw/zinc/32/91/30/179329130.db2.gz LKHNALAGVJEMPM-KOLCDFICSA-N 1 0 248.355 2.294 10 0 BEAERO CC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116293196 187384760 /nfs/dbraw/zinc/38/47/60/187384760.db2.gz BELSKLBWASFBAR-LLVKDONJSA-N 1 0 207.273 2.396 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CO ZINC000083216604 179336882 /nfs/dbraw/zinc/33/68/82/179336882.db2.gz XXAPLPGPWRIQMU-PWSUYJOCSA-N 1 0 207.317 2.274 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC000049525925 179337427 /nfs/dbraw/zinc/33/74/27/179337427.db2.gz KJVBJHJLNRRARI-LBPRGKRZSA-N 1 0 246.354 2.266 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CC1OCCO1 ZINC000180235118 179337704 /nfs/dbraw/zinc/33/77/04/179337704.db2.gz NGXSJIQBDDEVKW-NSHDSACASA-N 1 0 221.300 2.019 10 0 BEAERO CC(C)CC(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616570567 348068870 /nfs/dbraw/zinc/06/88/70/348068870.db2.gz NIASOFOEXFHRMX-OLZOCXBDSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@H](C(=O)N1CC[C@H]2[NH2+]CCC[C@H]21)C(C)(C)C ZINC000616570579 348069162 /nfs/dbraw/zinc/06/91/62/348069162.db2.gz GZTRXAZNNYMEIQ-IJLUTSLNSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])N(C)C1CC1 ZINC000037080689 179342641 /nfs/dbraw/zinc/34/26/41/179342641.db2.gz KYNQXHSOSIRBRM-ZDUSSCGKSA-N 1 0 204.317 2.089 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C(C)C ZINC000121653439 187386544 /nfs/dbraw/zinc/38/65/44/187386544.db2.gz DRNCVDTXRXDXLX-GFCCVEGCSA-N 1 0 243.395 2.013 10 0 BEAERO Cc1cccn(CC[NH2+]C2CCCCC2)c1=O ZINC000062986612 179352952 /nfs/dbraw/zinc/35/29/52/179352952.db2.gz RMMWRNGLTUSKJM-UHFFFAOYSA-N 1 0 234.343 2.079 10 0 BEAERO CC(C)C(=O)N1CCCc2c(C[NH3+])cccc21 ZINC000616570983 348085789 /nfs/dbraw/zinc/08/57/89/348085789.db2.gz IWEKZZMKSNJZFA-UHFFFAOYSA-N 1 0 232.327 2.081 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCC(C)(C)C1 ZINC000725245553 537999724 /nfs/dbraw/zinc/99/97/24/537999724.db2.gz VWEXIMSEAAOSGT-CYBMUJFWSA-N 1 0 227.348 2.483 10 0 BEAERO CCc1nc(C[NH2+]CCOC)sc1CC ZINC000669382242 538000566 /nfs/dbraw/zinc/00/05/66/538000566.db2.gz JOMCNUQZZWATHA-UHFFFAOYSA-N 1 0 228.361 2.004 10 0 BEAERO CCCC1(C(=O)N(C)CC(C)C)CC[NH2+]CC1 ZINC000062848064 168587556 /nfs/dbraw/zinc/58/75/56/168587556.db2.gz LPSQXWYQCZSCMC-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO C[C@H]1C[NH2+][C@@]2(CCN(Cc3ccccc3)C2)S1 ZINC000159136597 348309582 /nfs/dbraw/zinc/30/95/82/348309582.db2.gz GKZOUYGOKJLIIK-JSGCOSHPSA-N 1 0 248.395 2.314 10 0 BEAERO Cc1ccn(-c2cccc(F)c2[C@H](C)[NH3+])n1 ZINC000052884409 179398986 /nfs/dbraw/zinc/39/89/86/179398986.db2.gz YVJAOQVXQQBZRT-VIFPVBQESA-N 1 0 219.263 2.340 10 0 BEAERO Cc1ccn(-c2ccc(F)cc2C[C@@H](C)[NH3+])n1 ZINC000104282288 179399824 /nfs/dbraw/zinc/39/98/24/179399824.db2.gz GZNJYUBLQVTXOJ-SECBINFHSA-N 1 0 233.290 2.210 10 0 BEAERO C[C@H](c1ccsc1)N1CC[NH2+][C@H](C)C1 ZINC000251539759 362884548 /nfs/dbraw/zinc/88/45/48/362884548.db2.gz ARWAAHWMODRQBO-NXEZZACHSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@@H]1CS[C@]2(CCCS[C@H]2C)[NH2+]1 ZINC000251619167 362892072 /nfs/dbraw/zinc/89/20/72/362892072.db2.gz DVLQRRLWEBUUJE-VGMNWLOBSA-N 1 0 203.376 2.323 10 0 BEAERO Cc1cccnc1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000051041292 179396007 /nfs/dbraw/zinc/39/60/07/179396007.db2.gz SANSQQDBIASHKE-NEPJUHHUSA-N 1 0 219.332 2.190 10 0 BEAERO C[C@H]([NH3+])c1cnc(N2CC[C@H](C)C2)s1 ZINC000251773604 362913020 /nfs/dbraw/zinc/91/30/20/362913020.db2.gz VJUJANIUYUBZPW-YUMQZZPRSA-N 1 0 211.334 2.009 10 0 BEAERO CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218874424 259402480 /nfs/dbraw/zinc/40/24/80/259402480.db2.gz ACQNEANOMBZIEG-GHMZBOCLSA-N 1 0 242.363 2.241 10 0 BEAERO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000386006797 362922595 /nfs/dbraw/zinc/92/25/95/362922595.db2.gz SZIASOSVCLUEOC-RBSFLKMASA-N 1 0 249.354 2.267 10 0 BEAERO C[C@H]1CC[N@@H+]([C@H](CN)c2cccs2)C1 ZINC000251813299 362928346 /nfs/dbraw/zinc/92/83/46/362928346.db2.gz YZGBRMQWPMUJNZ-VHSXEESVSA-N 1 0 210.346 2.090 10 0 BEAERO CC(C)CC(C)(C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000121144268 348465184 /nfs/dbraw/zinc/46/51/84/348465184.db2.gz LZMPGNYXIARUOS-CQSZACIVSA-N 1 0 240.391 2.317 10 0 BEAERO Cc1ccsc1[C@@H](O)C[NH2+]C(C)(C)C ZINC000055029602 179553356 /nfs/dbraw/zinc/55/33/56/179553356.db2.gz RICHQLFHILCCTG-VIFPVBQESA-N 1 0 213.346 2.478 10 0 BEAERO Cc1ccsc1-c1nc([C@@H](C)[NH3+])no1 ZINC000041052319 179534226 /nfs/dbraw/zinc/53/42/26/179534226.db2.gz KVSYALQIVZXAMU-ZCFIWIBFSA-N 1 0 209.274 2.126 10 0 BEAERO C[C@H]([NH3+])Cc1nc(-c2cccs2)c[nH]1 ZINC000037476845 348620650 /nfs/dbraw/zinc/62/06/50/348620650.db2.gz LGJDJEWVQPAZLA-ZETCQYMHSA-N 1 0 207.302 2.028 10 0 BEAERO C[N@H+](Cc1ccsc1)[C@@H]1CCC[C@@H]1O ZINC000037489697 348622396 /nfs/dbraw/zinc/62/23/96/348622396.db2.gz GGNODZFCBYZGDB-MNOVXSKESA-N 1 0 211.330 2.093 10 0 BEAERO C[C@@H]1CS[C@@]2(CCN(Cc3ccccc3)C2)[NH2+]1 ZINC000159142868 348626080 /nfs/dbraw/zinc/62/60/80/348626080.db2.gz LJQODBBJMSUZCS-TZMCWYRMSA-N 1 0 248.395 2.314 10 0 BEAERO Cc1cnc(N[C@H]2CCCC[C@@H]2[NH3+])nc1Cl ZINC000095069330 179642647 /nfs/dbraw/zinc/64/26/47/179642647.db2.gz YGCVWTWFUCGHLD-IUCAKERBSA-N 1 0 240.738 2.120 10 0 BEAERO Cc1cnc(Sc2ccccc2C[NH3+])nc1 ZINC000042404835 179645109 /nfs/dbraw/zinc/64/51/09/179645109.db2.gz ZMRSZUBCRBCLSP-UHFFFAOYSA-N 1 0 231.324 2.395 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000308826364 348758868 /nfs/dbraw/zinc/75/88/68/348758868.db2.gz DSSHYHPKBXMDJL-LDYMZIIASA-N 1 0 201.273 2.061 10 0 BEAERO Cc1cnccc1-c1nc(CC[NH3+])cs1 ZINC000083349951 179688661 /nfs/dbraw/zinc/68/86/61/179688661.db2.gz ISMBZMGZXYMOFW-UHFFFAOYSA-N 1 0 219.313 2.015 10 0 BEAERO [NH3+][C@@H]1C[C@@]12CNc1ccc(C(F)(F)F)cc12 ZINC000725247691 538013852 /nfs/dbraw/zinc/01/38/52/538013852.db2.gz USPJSFCLUODZPH-ZJUUUORDSA-N 1 0 228.217 2.100 10 0 BEAERO CC(C)c1ccc2c(c1)[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725247815 538012834 /nfs/dbraw/zinc/01/28/34/538012834.db2.gz ZMFWDDIVVICYAF-QWHCGFSZSA-N 1 0 202.301 2.204 10 0 BEAERO CC(C)c1cccc2c1NC[C@]21C[C@H]1[NH3+] ZINC000725247784 538012908 /nfs/dbraw/zinc/01/29/08/538012908.db2.gz YBIFVVKPINJEDY-DGCLKSJQSA-N 1 0 202.301 2.204 10 0 BEAERO CC(C)(C)COC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000669384799 538018398 /nfs/dbraw/zinc/01/83/98/538018398.db2.gz GTVOWFJKVBLHNL-SECBINFHSA-N 1 0 215.337 2.339 10 0 BEAERO CCCN(CC1CC1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306232 348979121 /nfs/dbraw/zinc/97/91/21/348979121.db2.gz LNPCGORSSODURL-CYBMUJFWSA-N 1 0 238.375 2.025 10 0 BEAERO Cc1cc([C@H]2CCC[C@H](C)[NH2+]2)cc(N)n1 ZINC000669385075 538019602 /nfs/dbraw/zinc/01/96/02/538019602.db2.gz WPLCYFPEILKKHY-GZMMTYOYSA-N 1 0 205.305 2.175 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccccc1F ZINC000054290274 348962264 /nfs/dbraw/zinc/96/22/64/348962264.db2.gz ZEOVVYKEEXSKQP-JTQLQIEISA-N 1 0 236.290 2.154 10 0 BEAERO CCC[C@H](C)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290912 348962892 /nfs/dbraw/zinc/96/28/92/348962892.db2.gz JKCIPIIAQFBTNB-NWDGAFQWSA-N 1 0 226.364 2.023 10 0 BEAERO Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291017 348962917 /nfs/dbraw/zinc/96/29/17/348962917.db2.gz SZJFVNDGZGRXTR-CYBMUJFWSA-N 1 0 246.354 2.001 10 0 BEAERO CC1(NC(=O)C[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000054292304 348963510 /nfs/dbraw/zinc/96/35/10/348963510.db2.gz KODBYAUHMIIQOM-LBPRGKRZSA-N 1 0 238.375 2.215 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)CC[NH2+]C(C)C ZINC000037807354 187424293 /nfs/dbraw/zinc/42/42/93/187424293.db2.gz ZCKHOAYDLOYLHN-LBPRGKRZSA-N 1 0 228.380 2.268 10 0 BEAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH+]1CCNCC1 ZINC000038086631 187426655 /nfs/dbraw/zinc/42/66/55/187426655.db2.gz LURJOSUBOSKIPC-CHWSQXEVSA-N 1 0 224.392 2.497 10 0 BEAERO Cc1cnn([C@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000037676975 179747542 /nfs/dbraw/zinc/74/75/42/179747542.db2.gz MMNUCGVHXGAYAY-RYUDHWBXSA-N 1 0 207.321 2.272 10 0 BEAERO Nc1ccc(SC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000043471853 187432495 /nfs/dbraw/zinc/43/24/95/187432495.db2.gz JCIZHIKLIGOFCZ-SECBINFHSA-N 1 0 240.347 2.500 10 0 BEAERO [NH3+][C@@H]1[C@@H]2Cc3ccc(-c4ccncc4)cc3[C@H]12 ZINC000616575388 349095204 /nfs/dbraw/zinc/09/52/04/349095204.db2.gz AERLCGJILYYLAW-QLFBSQMISA-N 1 0 222.291 2.345 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000616577056 349104027 /nfs/dbraw/zinc/10/40/27/349104027.db2.gz HPORROZHUSQXEC-OPRDCNLKSA-N 1 0 213.321 2.092 10 0 BEAERO C[C@@H](C(=O)Nc1cccnc1C[NH3+])C(C)(C)C ZINC000616572828 349063887 /nfs/dbraw/zinc/06/38/87/349063887.db2.gz PHVYYTNEPIQRIG-VIFPVBQESA-N 1 0 235.331 2.161 10 0 BEAERO CC[C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]1[NH3+] ZINC000616572113 349064832 /nfs/dbraw/zinc/06/48/32/349064832.db2.gz UUOMWAKNKDGVFL-IJLUTSLNSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H](NC(=O)CC1CC1)c1cccc(C[NH3+])c1 ZINC000616572387 349065973 /nfs/dbraw/zinc/06/59/73/349065973.db2.gz LYJDISHYYSVRQC-SNVBAGLBSA-N 1 0 232.327 2.123 10 0 BEAERO Cc1cc(C(F)F)nc([C@@H]([NH3+])C(C)C)n1 ZINC000616578847 349127159 /nfs/dbraw/zinc/12/71/59/349127159.db2.gz QRZYDOGPLJHQPJ-QMMMGPOBSA-N 1 0 215.247 2.378 10 0 BEAERO Cc1csc(N(CC[NH3+])C2CCCC2)n1 ZINC000053706165 179783721 /nfs/dbraw/zinc/78/37/21/179783721.db2.gz MUMABCATNHIMKX-UHFFFAOYSA-N 1 0 225.361 2.159 10 0 BEAERO Cc1cc2c(cc1C)[C@@H](O)[C@H]([NH3+])CCC2 ZINC000210858283 349234245 /nfs/dbraw/zinc/23/42/45/349234245.db2.gz QLHHOCMFSKRSHT-CHWSQXEVSA-N 1 0 205.301 2.000 10 0 BEAERO C[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252099242 349195972 /nfs/dbraw/zinc/19/59/72/349195972.db2.gz FYIAMSFWFSFEIF-JHJVBQTASA-N 1 0 238.375 2.071 10 0 BEAERO C[NH+](C)CCC1=CCc2ccc(N)cc21 ZINC000059085827 349203588 /nfs/dbraw/zinc/20/35/88/349203588.db2.gz OCHXOFIYXRSMHR-UHFFFAOYSA-N 1 0 202.301 2.160 10 0 BEAERO O[C@@H]1CCC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000599516515 349205630 /nfs/dbraw/zinc/20/56/30/349205630.db2.gz HSABMUJLFBWOIL-VXGBXAGGSA-N 1 0 242.322 2.372 10 0 BEAERO CCCCC[C@@H](C)[NH2+][C@@H]1COC[C@H]1F ZINC000616581448 349264427 /nfs/dbraw/zinc/26/44/27/349264427.db2.gz RPFCUZSDLLHAFP-GMTAPVOTSA-N 1 0 203.301 2.282 10 0 BEAERO Cn1nc(-c2cccc(Cl)c2)c2c1CC[NH2+]C2 ZINC000028011432 190983275 /nfs/dbraw/zinc/98/32/75/190983275.db2.gz PKYCNIPJKBAJGC-UHFFFAOYSA-N 1 0 247.729 2.386 10 0 BEAERO [NH3+]Cc1nsc2c1cc(F)c(F)c2F ZINC000725254030 538042790 /nfs/dbraw/zinc/04/27/90/538042790.db2.gz BUYRFAHFNKYUAQ-UHFFFAOYSA-N 1 0 218.203 2.172 10 0 BEAERO CC1(C)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000061821081 349406212 /nfs/dbraw/zinc/40/62/12/349406212.db2.gz XBJXABVLKOZRJH-LBPRGKRZSA-N 1 0 238.375 2.025 10 0 BEAERO Cc1nc(C)c(C[NH2+]CC(C)C)c(C)n1 ZINC000054854498 179912125 /nfs/dbraw/zinc/91/21/25/179912125.db2.gz SFLMZJVRUSZZFL-UHFFFAOYSA-N 1 0 207.321 2.147 10 0 BEAERO CCn1c2cc(F)ccc2nc1[C@H](C)[NH2+]C ZINC000054053086 187437188 /nfs/dbraw/zinc/43/71/88/187437188.db2.gz CGWOBNJXEHZHAW-QMMMGPOBSA-N 1 0 221.279 2.476 10 0 BEAERO c1cn(CCCC[NH2+][C@H]2CCCSC2)cn1 ZINC000061589387 349376201 /nfs/dbraw/zinc/37/62/01/349376201.db2.gz ATAXUWOMYMXLQM-LBPRGKRZSA-N 1 0 239.388 2.149 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251282279 538044724 /nfs/dbraw/zinc/04/47/24/538044724.db2.gz DOENEUMWYMJDBD-OLZOCXBDSA-N 1 0 210.365 2.201 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251282285 538045200 /nfs/dbraw/zinc/04/52/00/538045200.db2.gz DOENEUMWYMJDBD-STQMWFEESA-N 1 0 210.365 2.201 10 0 BEAERO CCCC1CCC2(C[C@]2(C[NH3+])CO)CC1 ZINC000070500609 168606858 /nfs/dbraw/zinc/60/68/58/168606858.db2.gz LMGIJCOSAMNMQG-BPCQOVAHSA-N 1 0 211.349 2.304 10 0 BEAERO Cc1ccc(C[C@H](C)[NH2+]CC(C)(C)O)s1 ZINC000070716575 350052324 /nfs/dbraw/zinc/05/23/24/350052324.db2.gz PXEPRNQTBVZHAU-VIFPVBQESA-N 1 0 227.373 2.348 10 0 BEAERO Cc1[nH]c(C[C@H]2CCC[NH2+]2)nc1-c1ccco1 ZINC000054085349 179984240 /nfs/dbraw/zinc/98/42/40/179984240.db2.gz GVPNZSARVMZNNM-SNVBAGLBSA-N 1 0 231.299 2.273 10 0 BEAERO Cc1nc(Cc2ccccc2)nc(C)c1CC[NH3+] ZINC000020397236 179985201 /nfs/dbraw/zinc/98/52/01/179985201.db2.gz IJKIRPAXDGQNNE-UHFFFAOYSA-N 1 0 241.338 2.185 10 0 BEAERO Cc1[nH+]c(N2CCCC2)c(C)c(C)c1O ZINC000143859884 180000616 /nfs/dbraw/zinc/00/06/16/180000616.db2.gz VCPAMQFEBNYADD-UHFFFAOYSA-N 1 0 206.289 2.313 10 0 BEAERO Cc1nc(N2CCC[C@@H]2C)sc1[C@@H](C)[NH3+] ZINC000054863884 180002207 /nfs/dbraw/zinc/00/22/07/180002207.db2.gz RPPYKNSWXWGTFL-JGVFFNPUSA-N 1 0 225.361 2.460 10 0 BEAERO Cc1nc(N2CCC[C@H](C)C2)sc1C[NH3+] ZINC000054995546 180002914 /nfs/dbraw/zinc/00/29/14/180002914.db2.gz JJKIILUXHFFTFE-QMMMGPOBSA-N 1 0 225.361 2.147 10 0 BEAERO Cc1nc([C@@H]([NH3+])Cc2ccncc2)cs1 ZINC000082366337 180039011 /nfs/dbraw/zinc/03/90/11/180039011.db2.gz FVAMLHPRSKHXOQ-JTQLQIEISA-N 1 0 219.313 2.089 10 0 BEAERO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nccnc2C)C1(C)C ZINC000219177827 350116120 /nfs/dbraw/zinc/11/61/20/350116120.db2.gz PRNCWCBKYODRKM-SDDRHHMPSA-N 1 0 249.358 2.249 10 0 BEAERO Cc1nc([C@@H]([NH3+])Cc2ccccn2)cs1 ZINC000082366341 180040483 /nfs/dbraw/zinc/04/04/83/180040483.db2.gz GDYJJSORCSIIIP-JTQLQIEISA-N 1 0 219.313 2.089 10 0 BEAERO Cc1nc([C@@H]([NH3+])[C@H](C)c2ccccc2)no1 ZINC000041046480 180040508 /nfs/dbraw/zinc/04/05/08/180040508.db2.gz IKCCSWLAGTYITH-KCJUWKMLSA-N 1 0 217.272 2.182 10 0 BEAERO Cc1[nH+]c([C@@H]2CCCOC2)c(N)n1CC(C)C ZINC000104317240 180046150 /nfs/dbraw/zinc/04/61/50/180046150.db2.gz XTPOLJYDRYPLDO-LLVKDONJSA-N 1 0 237.347 2.324 10 0 BEAERO Cc1[nH]c([C@H](C)[NH3+])nc1-c1cccs1 ZINC000041062174 180048067 /nfs/dbraw/zinc/04/80/67/180048067.db2.gz COFCCOYXJAGRRR-LURJTMIESA-N 1 0 207.302 2.466 10 0 BEAERO Cc1nc([C@H](C)NC[C@@H]2CC[N@H+](C)C2)cs1 ZINC000037484835 180049689 /nfs/dbraw/zinc/04/96/89/180049689.db2.gz PYBXFKUWBXCRPY-ONGXEEELSA-N 1 0 239.388 2.054 10 0 BEAERO Cc1nc([C@]2([NH3+])CCSC2)sc1C ZINC000041059985 180060662 /nfs/dbraw/zinc/06/06/62/180060662.db2.gz TYBSCZJHEHPFIF-VIFPVBQESA-N 1 0 214.359 2.051 10 0 BEAERO CN(c1ccccc1F)C1CC[NH+](C)CC1 ZINC000071711277 350126995 /nfs/dbraw/zinc/12/69/95/350126995.db2.gz CBJVYUZBJMKNGJ-UHFFFAOYSA-N 1 0 222.307 2.356 10 0 BEAERO CSc1nnc(S[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000228037299 350130296 /nfs/dbraw/zinc/13/02/96/350130296.db2.gz XPQWZEALFKKZFA-WDSKDSINSA-N 1 0 247.414 2.232 10 0 BEAERO Cc1nc2cc(Cl)ccn2c1[C@@H](C)[NH3+] ZINC000074376548 180080540 /nfs/dbraw/zinc/08/05/40/180080540.db2.gz GFYQYRQGMCEOFS-ZCFIWIBFSA-N 1 0 209.680 2.316 10 0 BEAERO OCCC1(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000133077576 191036365 /nfs/dbraw/zinc/03/63/65/191036365.db2.gz UBVQWPBVJXURKL-GFCCVEGCSA-N 1 0 209.333 2.095 10 0 BEAERO Cc1ccccc1C[NH2+]CC1(CCO)CC1 ZINC000133063167 191036744 /nfs/dbraw/zinc/03/67/44/191036744.db2.gz VIBDSLHVILJUGH-UHFFFAOYSA-N 1 0 219.328 2.247 10 0 BEAERO CNC(=O)C(C)(C)C[NH2+]CC1CCC(C)CC1 ZINC000133228138 191039084 /nfs/dbraw/zinc/03/90/84/191039084.db2.gz SLHSMSOQGBZHFS-UHFFFAOYSA-N 1 0 240.391 2.175 10 0 BEAERO CSCCCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000133605741 191041608 /nfs/dbraw/zinc/04/16/08/191041608.db2.gz XNSMVUABDHZBHI-GHMZBOCLSA-N 1 0 217.378 2.144 10 0 BEAERO C[C@H](C[NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000083021538 538062328 /nfs/dbraw/zinc/06/23/28/538062328.db2.gz MUPRBTBUCCHHTQ-XRGYYRRGSA-N 1 0 205.710 2.030 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)nc1C ZINC000314105171 350167073 /nfs/dbraw/zinc/16/70/73/350167073.db2.gz FHHHHWXAIUKJIM-CYBMUJFWSA-N 1 0 236.359 2.195 10 0 BEAERO c1ccc(C[C@@H]2OC[C@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000031703261 350171371 /nfs/dbraw/zinc/17/13/71/350171371.db2.gz BFIHVAAIQMHVLM-RBSFLKMASA-N 1 0 247.338 2.113 10 0 BEAERO Cc1ncc(C[NH+]2CCC([C@H](C)O)CC2)s1 ZINC000111288687 180144255 /nfs/dbraw/zinc/14/42/55/180144255.db2.gz HDLDDENFXHCEOU-VIFPVBQESA-N 1 0 240.372 2.044 10 0 BEAERO Cc1nc[nH]c1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000054795671 180122478 /nfs/dbraw/zinc/12/24/78/180122478.db2.gz XHXVREDYLHXSOF-GFCCVEGCSA-N 1 0 243.310 2.332 10 0 BEAERO Cc1ncc(C[NH2+][C@@H]2CCCCC[C@H]2O)s1 ZINC000040997926 180156986 /nfs/dbraw/zinc/15/69/86/180156986.db2.gz UJAOTFWMSYJIIQ-VXGBXAGGSA-N 1 0 240.372 2.235 10 0 BEAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2CO)s1 ZINC000152331248 180159190 /nfs/dbraw/zinc/15/91/90/180159190.db2.gz FLVOIHYEGWSQFE-JQWIXIFHSA-N 1 0 240.372 2.092 10 0 BEAERO Cc1ncc([C@H](C)[NH3+])c(-c2ccccc2)n1 ZINC000072416926 180174646 /nfs/dbraw/zinc/17/46/46/180174646.db2.gz MVAMQXDMZAODIQ-VIFPVBQESA-N 1 0 213.284 2.472 10 0 BEAERO Cc1[nH+]cc2cc(Cl)nc(Cl)n12 ZINC000039629092 180177259 /nfs/dbraw/zinc/17/72/59/180177259.db2.gz LKIMQIMPFVMPKG-UHFFFAOYSA-N 1 0 202.044 2.345 10 0 BEAERO Cc1ncc2c(n1)CC[N@@H+]([C@H]1CC[C@H](C)C1)C2 ZINC000334188235 180178046 /nfs/dbraw/zinc/17/80/46/180178046.db2.gz GKPVANYNZSFKSE-GWCFXTLKSA-N 1 0 231.343 2.332 10 0 BEAERO Cc1nccc(C[NH2+]CC2(C)CCCC2)n1 ZINC000082625323 180188859 /nfs/dbraw/zinc/18/88/59/180188859.db2.gz SVLSSZBNZXGWAT-UHFFFAOYSA-N 1 0 219.332 2.455 10 0 BEAERO Cc1nccc(C[NH2+]C[C@@H]2CCCSC2)n1 ZINC000304405000 180189093 /nfs/dbraw/zinc/18/90/93/180189093.db2.gz HTBJYUGETDOTFJ-NSHDSACASA-N 1 0 237.372 2.018 10 0 BEAERO Cc1nccc(C[NH2+]C[C@H]2CCC(F)(F)C2)n1 ZINC000302364044 180189188 /nfs/dbraw/zinc/18/91/88/180189188.db2.gz GXOQJIOBNONZQZ-JTQLQIEISA-N 1 0 241.285 2.310 10 0 BEAERO Cc1nccc(C[NH2+]CCCC(F)(F)F)n1 ZINC000123578466 180189231 /nfs/dbraw/zinc/18/92/31/180189231.db2.gz ZXTGEFYNBKRXGW-UHFFFAOYSA-N 1 0 233.237 2.217 10 0 BEAERO Cc1nccn1-c1cc(Cl)ccc1C[NH3+] ZINC000062787080 180229106 /nfs/dbraw/zinc/22/91/06/180229106.db2.gz KCZHWTWPDYSLHH-UHFFFAOYSA-N 1 0 221.691 2.293 10 0 BEAERO Cc1nccn1CC[NH2+]CCc1ccccc1F ZINC000049329823 180260722 /nfs/dbraw/zinc/26/07/22/180260722.db2.gz VDKFHTKUAYVORV-UHFFFAOYSA-N 1 0 247.317 2.163 10 0 BEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000180120493 180269802 /nfs/dbraw/zinc/26/98/02/180269802.db2.gz PAFHDGZDIJJWRD-CYBMUJFWSA-N 1 0 245.326 2.449 10 0 BEAERO [NH3+]Cc1c(C2CCCC2)nc2ccccn21 ZINC000725260618 538083226 /nfs/dbraw/zinc/08/32/26/538083226.db2.gz WDYPUYACLSQVKN-UHFFFAOYSA-N 1 0 215.300 2.451 10 0 BEAERO Cc1nccn1[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043124117 180270710 /nfs/dbraw/zinc/27/07/10/180270710.db2.gz GNFCWGAHTBUQKH-KCJUWKMLSA-N 1 0 221.329 2.190 10 0 BEAERO Cc1nccn1[C@H](CC[NH3+])c1ccccc1 ZINC000055017779 180271480 /nfs/dbraw/zinc/27/14/80/180271480.db2.gz IPDQHDAFTMVJMA-CYBMUJFWSA-N 1 0 215.300 2.130 10 0 BEAERO Cc1ccnc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000328153336 538083888 /nfs/dbraw/zinc/08/38/88/538083888.db2.gz FZKZOOOPLFSJCQ-ZFWWWQNUSA-N 1 0 245.370 2.059 10 0 BEAERO Cc1ncn(CCC[C@H]2CCC[NH2+]2)c1C ZINC000052764929 180288117 /nfs/dbraw/zinc/28/81/17/180288117.db2.gz XJCPLVOKSQCQSS-GFCCVEGCSA-N 1 0 207.321 2.032 10 0 BEAERO Cc1ncn(CC[NH2+]C(C2CC2)C2CC2)c1C ZINC000053535744 180288235 /nfs/dbraw/zinc/28/82/35/180288235.db2.gz LIQWZJZGWLYSPT-UHFFFAOYSA-N 1 0 233.359 2.278 10 0 BEAERO C[C@H]([NH3+])CS[C@H]1CC(C)(C)OC1(C)C ZINC000167893142 350297361 /nfs/dbraw/zinc/29/73/61/350297361.db2.gz MBBSHLJBDCTSFU-IUCAKERBSA-N 1 0 217.378 2.413 10 0 BEAERO CCC[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000038086665 350304077 /nfs/dbraw/zinc/30/40/77/350304077.db2.gz JLECESWRCUQOFE-CQSZACIVSA-N 1 0 218.344 2.433 10 0 BEAERO C[C@H]1C[N@H+](CC[C@H]2CCCC2=O)C[C@H]1C ZINC000224498174 350324115 /nfs/dbraw/zinc/32/41/15/350324115.db2.gz WYMUYFGZYVOZIO-GRYCIOLGSA-N 1 0 209.333 2.334 10 0 BEAERO COC(=O)C1CC[NH+]([C@@H]2CC[C@@H]3CC[C@H]32)CC1 ZINC000725263958 538090509 /nfs/dbraw/zinc/09/05/09/538090509.db2.gz XSSQWZWWEJJBNO-CYZMBNFOSA-N 1 0 237.343 2.060 10 0 BEAERO Cc1cccc(Cc2cc(C[NH3+])nc(C)n2)c1 ZINC000076070336 350346962 /nfs/dbraw/zinc/34/69/62/350346962.db2.gz BJAAVQNASNMADZ-UHFFFAOYSA-N 1 0 227.311 2.143 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(OC(F)F)cn1 ZINC000327726151 350358929 /nfs/dbraw/zinc/35/89/29/350358929.db2.gz FZBXNECZPKTDGZ-JGVFFNPUSA-N 1 0 245.273 2.221 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000037269720 180326764 /nfs/dbraw/zinc/32/67/64/180326764.db2.gz PEKKXNWKSCVRIU-SECBINFHSA-N 1 0 226.345 2.281 10 0 BEAERO Cc1ncsc1[C@H](C)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484863 180326815 /nfs/dbraw/zinc/32/68/15/180326815.db2.gz WITRMZNSDGBMJC-ONGXEEELSA-N 1 0 239.388 2.054 10 0 BEAERO Cc1ncsc1[C@@H](C)NC[C@H]1CC[N@H+](C)C1 ZINC000037484864 180327316 /nfs/dbraw/zinc/32/73/16/180327316.db2.gz WITRMZNSDGBMJC-MWLCHTKSSA-N 1 0 239.388 2.054 10 0 BEAERO CC(C)[C@H](C)C(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264485 538091499 /nfs/dbraw/zinc/09/14/99/538091499.db2.gz QFFZFIBZJPYNLU-SCRDCRAPSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000037215351 180327510 /nfs/dbraw/zinc/32/75/10/180327510.db2.gz VHRDKMBPVSLZQN-PSASIEDQSA-N 1 0 226.345 2.281 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C1CCOCC1 ZINC000037269722 180327727 /nfs/dbraw/zinc/32/77/27/180327727.db2.gz PEKKXNWKSCVRIU-VIFPVBQESA-N 1 0 226.345 2.281 10 0 BEAERO COc1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000076671603 187445636 /nfs/dbraw/zinc/44/56/36/187445636.db2.gz OAIAOYOKBAZSMF-ZWNOBZJWSA-N 1 0 221.300 2.344 10 0 BEAERO CC(C)[C@H](C)C(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264484 538091311 /nfs/dbraw/zinc/09/13/11/538091311.db2.gz QFFZFIBZJPYNLU-OUCADQQQSA-N 1 0 238.375 2.069 10 0 BEAERO COc1ccc([C@@H](C)[C@@H](C)C[NH3+])cc1OC ZINC000082362353 187447880 /nfs/dbraw/zinc/44/78/80/187447880.db2.gz XFAVKWWTLRRVOA-UWVGGRQHSA-N 1 0 223.316 2.402 10 0 BEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000045172926 180348299 /nfs/dbraw/zinc/34/82/99/180348299.db2.gz URKWWFQWIJTTDW-GZMMTYOYSA-N 1 0 221.348 2.486 10 0 BEAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CCC1 ZINC000052208940 180348420 /nfs/dbraw/zinc/34/84/20/180348420.db2.gz GLYPPDXGFOXGOT-QMMMGPOBSA-N 1 0 207.321 2.240 10 0 BEAERO c1cc(-c2nnc([C@@H]3CCC[NH2+]C3)o2)cs1 ZINC000616591678 350408729 /nfs/dbraw/zinc/40/87/29/350408729.db2.gz PZFGREVHPAWBDP-MRVPVSSYSA-N 1 0 235.312 2.265 10 0 BEAERO C[C@@H]1C[NH2+][C@H](C)[C@@H](c2cccs2)OC1 ZINC000226346430 350422074 /nfs/dbraw/zinc/42/20/74/350422074.db2.gz LUGIGPNGIPZTRA-KKZNHRDASA-N 1 0 211.330 2.434 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H](C)O)CC2 ZINC000132318192 191102578 /nfs/dbraw/zinc/10/25/78/191102578.db2.gz VMAPSKNVNJBTEK-RISCZKNCSA-N 1 0 219.328 2.343 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2ccc(CCO)cc2)CC1 ZINC000616593026 350492797 /nfs/dbraw/zinc/49/27/97/350492797.db2.gz GZECFHPKMZILAG-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO Cc1nc(C[NH3+])cc([C@H](C)c2ccccc2)n1 ZINC000409437115 350480343 /nfs/dbraw/zinc/48/03/43/350480343.db2.gz CCRUKYHORCYFRD-SNVBAGLBSA-N 1 0 227.311 2.396 10 0 BEAERO CC(C)c1[nH]nc(-c2ccncc2)c1CC[NH3+] ZINC000409441308 350482031 /nfs/dbraw/zinc/48/20/31/350482031.db2.gz QTUJNSRSVGBDML-UHFFFAOYSA-N 1 0 230.315 2.096 10 0 BEAERO c1cc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)cs1 ZINC000725266012 538094447 /nfs/dbraw/zinc/09/44/47/538094447.db2.gz GCCHHSDSCOATQH-LLVKDONJSA-N 1 0 248.355 2.321 10 0 BEAERO Cc1nn([C@H]2CCCC[C@@H]2C[NH3+])c(C)c1C ZINC000040729053 180393216 /nfs/dbraw/zinc/39/32/16/180393216.db2.gz FRXKUIYAYCQKPE-OLZOCXBDSA-N 1 0 221.348 2.498 10 0 BEAERO Cc1nn([C@H](C)CCC[NH3+])c(C)c1Cl ZINC000052573917 180393521 /nfs/dbraw/zinc/39/35/21/180393521.db2.gz YUHZNRWKWMBFAD-SSDOTTSWSA-N 1 0 215.728 2.453 10 0 BEAERO Fc1cccc(-c2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000725266057 538094003 /nfs/dbraw/zinc/09/40/03/538094003.db2.gz IENUVMLVJRBMRS-GFCCVEGCSA-N 1 0 246.289 2.009 10 0 BEAERO C[N@H+](CC1CCC1)C[C@@H]1CCCC[C@@H]1O ZINC000061485159 350516912 /nfs/dbraw/zinc/51/69/12/350516912.db2.gz QXDACOKGTLXBDF-STQMWFEESA-N 1 0 211.349 2.269 10 0 BEAERO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH3+] ZINC000054716434 180386172 /nfs/dbraw/zinc/38/61/72/180386172.db2.gz RMJPREAIXSMPOO-YFKPBYRVSA-N 1 0 221.226 2.082 10 0 BEAERO COCC[C@@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070068802 350497698 /nfs/dbraw/zinc/49/76/98/350497698.db2.gz SJWVCFQWSGPKMU-ZYHUDNBSSA-N 1 0 221.300 2.135 10 0 BEAERO Cc1nn(CCC(C)C)c(C)c1CC[NH3+] ZINC000049454653 180388068 /nfs/dbraw/zinc/38/80/68/180388068.db2.gz KXCONGVQBQUWIZ-UHFFFAOYSA-N 1 0 209.337 2.047 10 0 BEAERO Cc1nn(C[C@H]2CCCCO2)c(C)c1[C@@H](C)[NH3+] ZINC000054716488 180390874 /nfs/dbraw/zinc/39/08/74/180390874.db2.gz SONWFZJNTAPISA-BXKDBHETSA-N 1 0 237.347 2.089 10 0 BEAERO C[C@@H]1SCCS[C@@H]1[C@@H]([NH3+])CC1CC1 ZINC000228110616 350528635 /nfs/dbraw/zinc/52/86/35/350528635.db2.gz RPILGRKSAZJJRU-HGNGGELXSA-N 1 0 217.403 2.351 10 0 BEAERO C[C@@H]1SCCS[C@@H]1C(=[NH2+])N1CCCC1 ZINC000228187653 350532124 /nfs/dbraw/zinc/53/21/24/350532124.db2.gz KYNHTOALBUYMPP-IUCAKERBSA-N 1 0 230.402 2.297 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2ccc(N)cc2)C1 ZINC000220072814 490614434 /nfs/dbraw/zinc/61/44/34/490614434.db2.gz RUPRSBUTMDJAGQ-GFCCVEGCSA-N 1 0 204.317 2.467 10 0 BEAERO CC[N@@H+]1CCO[C@H](c2ccccc2OC)CC1 ZINC000616595136 350602573 /nfs/dbraw/zinc/60/25/73/350602573.db2.gz VFSIJTLISTVFQN-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2ccc(N)cc2)CC1 ZINC000616593399 350580620 /nfs/dbraw/zinc/58/06/20/350580620.db2.gz JUAHENGESXXUNU-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO Cc1nnc(S[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000037669117 180440526 /nfs/dbraw/zinc/44/05/26/180440526.db2.gz WLYHZNHHKMSVNY-YUMQZZPRSA-N 1 0 229.374 2.066 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000094648678 350596779 /nfs/dbraw/zinc/59/67/79/350596779.db2.gz UGMMCWFVRHGFNF-WUHRBBMRSA-N 1 0 238.375 2.022 10 0 BEAERO CC(C)N(CC[NH3+])C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000041160398 187458990 /nfs/dbraw/zinc/45/89/90/187458990.db2.gz LNUAOQDOQYUHNJ-XQQFMLRXSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cccnc1N ZINC000616597088 350636510 /nfs/dbraw/zinc/63/65/10/350636510.db2.gz MOJMDRCITFBMLF-LBPRGKRZSA-N 1 0 249.358 2.226 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2ccccc2Cl)C1 ZINC000616597851 350653121 /nfs/dbraw/zinc/65/31/21/350653121.db2.gz MGWYTXZOGSFDHE-JTQLQIEISA-N 1 0 225.719 2.386 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccccc1N ZINC000616597629 350653195 /nfs/dbraw/zinc/65/31/95/350653195.db2.gz FFYUIZJLGZORGO-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)C[N@H+](CC(=O)Nc1ccncc1)C1CC1 ZINC000112558907 350654857 /nfs/dbraw/zinc/65/48/57/350654857.db2.gz JWTWYYVTHVZGKT-UHFFFAOYSA-N 1 0 247.342 2.141 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cnco1 ZINC000616598356 350660457 /nfs/dbraw/zinc/66/04/57/350660457.db2.gz XDXVSWJSNPNVNU-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ccnc(N)c1 ZINC000616598578 350675575 /nfs/dbraw/zinc/67/55/75/350675575.db2.gz PRUMZWZRKOYDNM-LBPRGKRZSA-N 1 0 249.358 2.056 10 0 BEAERO Cc1noc(CC[NH2+]C/C=C/c2ccccc2)n1 ZINC000105469326 180483958 /nfs/dbraw/zinc/48/39/58/180483958.db2.gz JEKBLHQGROKBNN-VMPITWQZSA-N 1 0 243.310 2.224 10 0 BEAERO c1cc2cc([C@H]3COCCC[NH2+]3)ccc2cn1 ZINC000616598606 350676892 /nfs/dbraw/zinc/67/68/92/350676892.db2.gz FTXGCHVANOHWDF-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCOC[C@@H](c2ccc(Cl)cc2)C1 ZINC000616598833 350687267 /nfs/dbraw/zinc/68/72/67/350687267.db2.gz SWJKBHBGBJNSIH-NSHDSACASA-N 1 0 225.719 2.386 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1ccc(CCO)cc1 ZINC000616598854 350687383 /nfs/dbraw/zinc/68/73/83/350687383.db2.gz TUOLAVTZDZUJPA-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000385051658 350755335 /nfs/dbraw/zinc/75/53/35/350755335.db2.gz SSKNLDIYKBPWSU-MXWKQRLJSA-N 1 0 233.302 2.267 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ccncn1 ZINC000616599280 350741185 /nfs/dbraw/zinc/74/11/85/350741185.db2.gz YLYGYDXYTWSOKD-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1cccc2nnccc21 ZINC000616599355 350743619 /nfs/dbraw/zinc/74/36/19/350743619.db2.gz JVYFOOUCELWXQQ-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1c[nH]nc1N ZINC000616614029 350819876 /nfs/dbraw/zinc/81/98/76/350819876.db2.gz GLPQVSDCVPLWEO-SNVBAGLBSA-N 1 0 222.336 2.148 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccc(CO)cc1 ZINC000616599917 350775542 /nfs/dbraw/zinc/77/55/42/350775542.db2.gz SOLQGVHMZDIMSC-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2cccc3ncccc32)C1 ZINC000616613995 350822378 /nfs/dbraw/zinc/82/23/78/350822378.db2.gz YTDGAVGSXNDHBQ-LBPRGKRZSA-N 1 0 242.322 2.016 10 0 BEAERO C[NH2+][C@H](C)Cc1nc2ccccc2s1 ZINC000063033999 350786590 /nfs/dbraw/zinc/78/65/90/350786590.db2.gz CRVOODMNJJHCKZ-MRVPVSSYSA-N 1 0 206.314 2.447 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2c[nH]cn2)C1 ZINC000616603022 350789349 /nfs/dbraw/zinc/78/93/49/350789349.db2.gz APELDXKSMSXXST-NSHDSACASA-N 1 0 207.321 2.388 10 0 BEAERO CN1CCO[C@@H](c2nccc3ccccc32)C1 ZINC000616602346 350790836 /nfs/dbraw/zinc/79/08/36/350790836.db2.gz IBAHWHNBJJPBAN-CYBMUJFWSA-N 1 0 228.295 2.238 10 0 BEAERO [NH3+]CCN1CCC[C@@H](c2ccccc2F)CC1 ZINC000616602481 350791643 /nfs/dbraw/zinc/79/16/43/350791643.db2.gz XZFSPESMXZOBBC-GFCCVEGCSA-N 1 0 236.334 2.354 10 0 BEAERO COc1ccc([C@@H]2CCCCN(CC[NH3+])C2)cc1 ZINC000616604189 350792750 /nfs/dbraw/zinc/79/27/50/350792750.db2.gz BLWMEDRKQOAIPZ-CQSZACIVSA-N 1 0 248.370 2.223 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2conn2)C1 ZINC000616604457 350793260 /nfs/dbraw/zinc/79/32/60/350793260.db2.gz PGELSUUKMSWBGN-JTQLQIEISA-N 1 0 223.320 2.438 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616604922 350794142 /nfs/dbraw/zinc/79/41/42/350794142.db2.gz HEJJIENNFUKQFJ-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2cncnc2)C1 ZINC000616604963 350794333 /nfs/dbraw/zinc/79/43/33/350794333.db2.gz HLHNTMIBMNVYJF-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO CC[N@@H+]1CCCC[C@@H](c2ccc(N)nc2)C1 ZINC000616605899 350795861 /nfs/dbraw/zinc/79/58/61/350795861.db2.gz YQQCZBKHOJHBEK-GFCCVEGCSA-N 1 0 219.332 2.084 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616606440 350797319 /nfs/dbraw/zinc/79/73/19/350797319.db2.gz HGJGBUUJJMDTDM-LLVKDONJSA-N 1 0 242.363 2.386 10 0 BEAERO c1nnoc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616606376 350797398 /nfs/dbraw/zinc/79/73/98/350797398.db2.gz BTXXDJKGLOUWAC-LBPRGKRZSA-N 1 0 229.283 2.407 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1c1ccc(CCO)cc1 ZINC000616607022 350799118 /nfs/dbraw/zinc/79/91/18/350799118.db2.gz OXEKCSYNLZOYJQ-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1c1ccc(CO)cc1 ZINC000616606847 350799639 /nfs/dbraw/zinc/79/96/39/350799639.db2.gz JJXLGOHMVHDGFQ-CYBMUJFWSA-N 1 0 205.301 2.336 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000616607535 350801318 /nfs/dbraw/zinc/80/13/18/350801318.db2.gz JSZACKNWBLKKTQ-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccccc1C(N)=O ZINC000616607652 350801913 /nfs/dbraw/zinc/80/19/13/350801913.db2.gz WQWPRRMZZLEBOD-CYBMUJFWSA-N 1 0 232.327 2.331 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1cnc2ccccc2c1 ZINC000616608259 350804321 /nfs/dbraw/zinc/80/43/21/350804321.db2.gz QPQFMDLSBUUSAJ-HNNXBMFYSA-N 1 0 241.338 2.330 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1cccc2cccnc21 ZINC000616608300 350804479 /nfs/dbraw/zinc/80/44/79/350804479.db2.gz PGFSSKCLGWRVET-CQSZACIVSA-N 1 0 242.322 2.364 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000616608375 350804817 /nfs/dbraw/zinc/80/48/17/350804817.db2.gz SBFJZUVCPMQCRN-SNVBAGLBSA-N 1 0 205.305 2.412 10 0 BEAERO C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616610637 350806219 /nfs/dbraw/zinc/80/62/19/350806219.db2.gz NYBVISVMJIAWPL-LLVKDONJSA-N 1 0 242.363 2.243 10 0 BEAERO C[N@@H+]1CC[C@H](c2ccc3nnccc3c2)C1 ZINC000616610203 350808321 /nfs/dbraw/zinc/80/83/21/350808321.db2.gz KQFSBDNAMRRUBV-LBPRGKRZSA-N 1 0 213.284 2.049 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccccc2CCO)C1 ZINC000616611657 350809880 /nfs/dbraw/zinc/80/98/80/350809880.db2.gz SAZKOVAPBRFDCG-CQSZACIVSA-N 1 0 233.355 2.421 10 0 BEAERO CCN(CC1CC1)C(=[NH2+])NCc1ccccc1 ZINC000306677570 350830324 /nfs/dbraw/zinc/83/03/24/350830324.db2.gz ZFBNVEVKKUOVSE-UHFFFAOYSA-N 1 0 231.343 2.443 10 0 BEAERO Cc1cc(C(=O)[C@H]2CCC[NH2+][C@@H]2C)sn1 ZINC000306684318 350841794 /nfs/dbraw/zinc/84/17/94/350841794.db2.gz ZOKSEDYWQKYWRV-BDAKNGLRSA-N 1 0 224.329 2.022 10 0 BEAERO C[N@@H+]1CCCC[C@H]1c1cccc(CCO)c1 ZINC000616615128 350845523 /nfs/dbraw/zinc/84/55/23/350845523.db2.gz DCFQBMUKDXUBDZ-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336683751 191125646 /nfs/dbraw/zinc/12/56/46/191125646.db2.gz SOCLZRIJCFFUNG-XQQFMLRXSA-N 1 0 243.416 2.390 10 0 BEAERO CC[N@@H+]1CCCC[C@H]1c1ccnc(N)c1 ZINC000616616075 350853266 /nfs/dbraw/zinc/85/32/66/350853266.db2.gz ZBGXYFALMBJSDQ-NSHDSACASA-N 1 0 205.305 2.041 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)[NH2+][C@@H]1C ZINC000306704848 350853284 /nfs/dbraw/zinc/85/32/84/350853284.db2.gz CKBBTLVHQUMMCP-BZPMIXESSA-N 1 0 246.354 2.079 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccnc(N)c1 ZINC000616614093 350827184 /nfs/dbraw/zinc/82/71/84/350827184.db2.gz IAXGOJHXDDTCJY-GFCCVEGCSA-N 1 0 219.332 2.430 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)Cn1cccn1 ZINC000138653125 350827265 /nfs/dbraw/zinc/82/72/65/350827265.db2.gz NIMVMJKLJOBKSA-TUAOUCFPSA-N 1 0 207.321 2.050 10 0 BEAERO O=C(C1CCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000253162644 350919518 /nfs/dbraw/zinc/91/95/18/350919518.db2.gz NDAVAARKVSOHLQ-TUAOUCFPSA-N 1 0 207.317 2.276 10 0 BEAERO Cc1nc(C(F)(F)F)sc1[C@@H](C)[NH3+] ZINC000159599672 350920749 /nfs/dbraw/zinc/92/07/49/350920749.db2.gz UIJSKDGIAAOELF-GSVOUGTGSA-N 1 0 210.224 2.490 10 0 BEAERO C[NH+]1CCC(c2cc3ccccc3nn2)CC1 ZINC000616619001 350926112 /nfs/dbraw/zinc/92/61/12/350926112.db2.gz CYQBOLQRGOBQCS-UHFFFAOYSA-N 1 0 227.311 2.439 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2ccncn2)CC1 ZINC000616619388 350926796 /nfs/dbraw/zinc/92/67/96/350926796.db2.gz IWEJXEKMZKRZFQ-UHFFFAOYSA-N 1 0 219.332 2.455 10 0 BEAERO [NH3+]CCN1CCC[C@H](c2ccccc2Cl)C1 ZINC000616619963 350928614 /nfs/dbraw/zinc/92/86/14/350928614.db2.gz CWPAUUSSZCETPN-NSHDSACASA-N 1 0 238.762 2.478 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cn[nH]c2)C1 ZINC000616618166 350882375 /nfs/dbraw/zinc/88/23/75/350882375.db2.gz PQTKOBIYPYILPY-JTQLQIEISA-N 1 0 207.321 2.388 10 0 BEAERO CCSCC[NH2+]Cc1csc(C)n1 ZINC000128900612 350886288 /nfs/dbraw/zinc/88/62/88/350886288.db2.gz MSOLOTCOVHGGDA-UHFFFAOYSA-N 1 0 216.375 2.294 10 0 BEAERO CC(C)NC(=[NH2+])N(C)Cc1ccccc1 ZINC000052036560 350890054 /nfs/dbraw/zinc/89/00/54/350890054.db2.gz YOQVETAMXUWXPP-UHFFFAOYSA-N 1 0 205.305 2.051 10 0 BEAERO Clc1cnc([C@H]2[NH2+]C[C@@H]2C2CC2)s1 ZINC000306771413 351007757 /nfs/dbraw/zinc/00/77/57/351007757.db2.gz CITMCMMUKGQTGY-SVRRBLITSA-N 1 0 214.721 2.467 10 0 BEAERO CC(C)CC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000052246040 350971981 /nfs/dbraw/zinc/97/19/81/350971981.db2.gz NFRVBKBIHFBKPQ-LBPRGKRZSA-N 1 0 231.380 2.140 10 0 BEAERO CCN1CCc2ccccc2[C@@H]1C(C)=O ZINC000222549694 350984269 /nfs/dbraw/zinc/98/42/69/350984269.db2.gz QXVRTXNMVMBFAJ-ZDUSSCGKSA-N 1 0 203.285 2.195 10 0 BEAERO C[C@@H]([NH3+])C(=O)c1ccc(C(F)(F)F)cc1 ZINC000159734078 350989614 /nfs/dbraw/zinc/98/96/14/350989614.db2.gz IJXQZKCAPFXHPJ-ZCFIWIBFSA-N 1 0 217.190 2.235 10 0 BEAERO CO[C@H](C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000306770576 351003542 /nfs/dbraw/zinc/00/35/42/351003542.db2.gz FXVRGCLXMRXQKR-LDYMZIIASA-N 1 0 211.330 2.144 10 0 BEAERO C[N@@H+]1CCCCC[C@H]1c1ccnc(N)c1 ZINC000616620941 350947442 /nfs/dbraw/zinc/94/74/42/350947442.db2.gz IFEYUZQNCBFLTB-NSHDSACASA-N 1 0 205.305 2.041 10 0 BEAERO CC[N@@H+]1CCCCC[C@H]1c1ccnc(N)c1 ZINC000616620995 350948466 /nfs/dbraw/zinc/94/84/66/350948466.db2.gz JIVNDIXHVLNBPF-LBPRGKRZSA-N 1 0 219.332 2.431 10 0 BEAERO C[C@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)CS1 ZINC000306782878 351028334 /nfs/dbraw/zinc/02/83/34/351028334.db2.gz RAYUIFRYLHSGAV-CMPLNLGQSA-N 1 0 249.383 2.195 10 0 BEAERO C[C@@H]([NH3+])C(=O)Cc1c(Cl)cccc1Cl ZINC000167953558 351047011 /nfs/dbraw/zinc/04/70/11/351047011.db2.gz BQUAVXOCNZNQKX-ZCFIWIBFSA-N 1 0 232.110 2.452 10 0 BEAERO Clc1cncc2c1NC1(CC1)CCN2 ZINC000306801556 351056392 /nfs/dbraw/zinc/05/63/92/351056392.db2.gz RFJFRDBOXZLTIE-UHFFFAOYSA-N 1 0 209.680 2.495 10 0 BEAERO [NH3+]C1CCC(F)(Cc2cncs2)CC1 ZINC000159841036 351013039 /nfs/dbraw/zinc/01/30/39/351013039.db2.gz GCNFVHRLDPAIAS-UHFFFAOYSA-N 1 0 214.309 2.295 10 0 BEAERO CC[N@@H+]1CCCC[C@H](c2cccnc2N)C1 ZINC000616630386 351102367 /nfs/dbraw/zinc/10/23/67/351102367.db2.gz WRCCRUQULCPGMV-NSHDSACASA-N 1 0 219.332 2.253 10 0 BEAERO OCc1ccc([C@H]2CCC[NH2+]CC2)cc1 ZINC000616630477 351103860 /nfs/dbraw/zinc/10/38/60/351103860.db2.gz ZFAJODZRZNOOLT-LBPRGKRZSA-N 1 0 205.301 2.036 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cccc(N)c2)CC1 ZINC000616626791 351106684 /nfs/dbraw/zinc/10/66/84/351106684.db2.gz BHESIQRVWREXSZ-NSHDSACASA-N 1 0 204.317 2.468 10 0 BEAERO CNc1ccc([C@H]2C[N@@H+](C(C)(C)C)CCN2)cc1 ZINC000616631870 351108566 /nfs/dbraw/zinc/10/85/66/351108566.db2.gz HTDHWYHIUJGEMK-CQSZACIVSA-N 1 0 247.386 2.473 10 0 BEAERO CNc1cccc([C@H]2C[N@@H+](C(C)C)CCN2)c1 ZINC000616631836 351108955 /nfs/dbraw/zinc/10/89/55/351108955.db2.gz GKKFXRRHRNVIFU-CQSZACIVSA-N 1 0 233.359 2.083 10 0 BEAERO CC[N@@H+]1CCN[C@@H](c2cc3ccccc3cn2)C1 ZINC000616631867 351109144 /nfs/dbraw/zinc/10/91/44/351109144.db2.gz HQRQYWDGBOKVHH-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccccc2N)C1 ZINC000616632007 351110176 /nfs/dbraw/zinc/11/01/76/351110176.db2.gz CYSKIGSJDXRBKF-ZDUSSCGKSA-N 1 0 233.359 2.014 10 0 BEAERO COc1ccc([C@@H]2C[N@@H+](C(C)(C)C)CCN2)cc1 ZINC000616632580 351112106 /nfs/dbraw/zinc/11/21/06/351112106.db2.gz MLGQXCYFVFTUGY-AWEZNQCLSA-N 1 0 248.370 2.440 10 0 BEAERO c1ccc(C[N@@H+]2CC[C@H](c3cncnc3)C2)cc1 ZINC000616634969 351118137 /nfs/dbraw/zinc/11/81/37/351118137.db2.gz XYTXXGCOOCAEET-AWEZNQCLSA-N 1 0 239.322 2.466 10 0 BEAERO C[N@@H+]1CCCCC[C@@H]1c1cccnc1N ZINC000616622529 351087005 /nfs/dbraw/zinc/08/70/05/351087005.db2.gz DGOWEERXTWHNQF-LLVKDONJSA-N 1 0 205.305 2.211 10 0 BEAERO C[N@@H+]1CCCCC[C@@H]1c1ccccc1C(N)=O ZINC000616624078 351091064 /nfs/dbraw/zinc/09/10/64/351091064.db2.gz WKCWSYGFBKHWBX-CYBMUJFWSA-N 1 0 232.327 2.332 10 0 BEAERO [NH3+]CCN1CCCCC[C@H]1c1ccc(CO)cc1 ZINC000616625091 351092669 /nfs/dbraw/zinc/09/26/69/351092669.db2.gz KXHLFIWSZDBWKG-HNNXBMFYSA-N 1 0 248.370 2.055 10 0 BEAERO Nc1cccc([C@@H]2CCCCC[N@@H+]2CCO)c1 ZINC000616625504 351093806 /nfs/dbraw/zinc/09/38/06/351093806.db2.gz OQYOUFACTZUDTG-AWEZNQCLSA-N 1 0 234.343 2.178 10 0 BEAERO OCC[N@@H+]1CCC[C@H](c2ccccc2F)CC1 ZINC000616628846 351099372 /nfs/dbraw/zinc/09/93/72/351099372.db2.gz QBYIULLNRXZWAC-LBPRGKRZSA-N 1 0 237.318 2.388 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H]1c1ccc(CCO)cc1 ZINC000616641147 351147223 /nfs/dbraw/zinc/14/72/23/351147223.db2.gz BJCWNLPIBIVTHS-HNNXBMFYSA-N 1 0 249.354 2.003 10 0 BEAERO CN1CCO[C@H](c2nccc3ccccc32)C1 ZINC000616643339 351155949 /nfs/dbraw/zinc/15/59/49/351155949.db2.gz IBAHWHNBJJPBAN-ZDUSSCGKSA-N 1 0 228.295 2.238 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cnoc1 ZINC000616644811 351164967 /nfs/dbraw/zinc/16/49/67/351164967.db2.gz FGFBROHZAFRHPQ-LLVKDONJSA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccccc2N)C1 ZINC000616645501 351167588 /nfs/dbraw/zinc/16/75/88/351167588.db2.gz CWDDWJXMOHOGTN-ZDUSSCGKSA-N 1 0 220.316 2.051 10 0 BEAERO CNc1ccc([C@@H]2COCCC[N@@H+]2C)cc1 ZINC000616650131 351173361 /nfs/dbraw/zinc/17/33/61/351173361.db2.gz XYYRCWOYDYYGQV-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO c1cnc2cccc([C@@H]3COCCC[NH2+]3)c2c1 ZINC000616648032 351175492 /nfs/dbraw/zinc/17/54/92/351175492.db2.gz SEJGIKBZSKPKHL-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ncccn2)C1 ZINC000616648790 351177079 /nfs/dbraw/zinc/17/70/79/351177079.db2.gz CGIFAORRUAYHSV-NSHDSACASA-N 1 0 235.331 2.039 10 0 BEAERO C[N@@H+]1CCCO[C@@H](c2cccc(F)c2)C1 ZINC000616651587 351182806 /nfs/dbraw/zinc/18/28/06/351182806.db2.gz HFFMYKLVHPSKCV-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccccn2)C1 ZINC000616653440 351186977 /nfs/dbraw/zinc/18/69/77/351186977.db2.gz PCTAAQLMLQYFKF-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO COc1ccccc1[C@H]1C[N@H+](C)CCCO1 ZINC000616653211 351187755 /nfs/dbraw/zinc/18/77/55/351187755.db2.gz WGSLRAQYZYXMRZ-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1cc2ccccc2cn1 ZINC000616638349 351138820 /nfs/dbraw/zinc/13/88/20/351138820.db2.gz WRIYDXCEHDZQHP-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO C[NH2+][C@H]1Cc2ccccc2N(C(C)C)C1 ZINC000616671303 351233606 /nfs/dbraw/zinc/23/36/06/351233606.db2.gz BNLZODPEJJJQOS-LBPRGKRZSA-N 1 0 204.317 2.046 10 0 BEAERO CCOC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000616672239 351234989 /nfs/dbraw/zinc/23/49/89/351234989.db2.gz YKCCKADKZQFJPA-GFCCVEGCSA-N 1 0 248.326 2.136 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@H]1C(F)(F)F ZINC000616672022 351235184 /nfs/dbraw/zinc/23/51/84/351235184.db2.gz ZNHOOUIGLYSYIA-NSHDSACASA-N 1 0 244.260 2.329 10 0 BEAERO CCN1CCc2ccccc2[C@@H]1c1cc[nH]n1 ZINC000616677035 351242918 /nfs/dbraw/zinc/24/29/18/351242918.db2.gz GCVPEBILXCHXDM-CQSZACIVSA-N 1 0 227.311 2.377 10 0 BEAERO OCc1ccccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000616675349 351242954 /nfs/dbraw/zinc/24/29/54/351242954.db2.gz CHZKLIDINMFLRI-MRXNPFEDSA-N 1 0 239.318 2.414 10 0 BEAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccnnc1 ZINC000616678439 351246002 /nfs/dbraw/zinc/24/60/02/351246002.db2.gz IEKCHJMWTVEXOK-HNNXBMFYSA-N 1 0 239.322 2.444 10 0 BEAERO Cc1cc([C@H](O)[C@H]([NH3+])C(C)C)c(C)s1 ZINC000168002270 351250317 /nfs/dbraw/zinc/25/03/17/351250317.db2.gz GIAQYRWISNZHGT-MNOVXSKESA-N 1 0 213.346 2.382 10 0 BEAERO Clc1ccc(CCC2=[NH+]CCN2)cc1 ZINC000071511376 180578693 /nfs/dbraw/zinc/57/86/93/180578693.db2.gz HGDCPEFFABUTDJ-UHFFFAOYSA-N 1 0 208.692 2.274 10 0 BEAERO CC(C)(C)[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616684816 351255766 /nfs/dbraw/zinc/25/57/66/351255766.db2.gz PGPOPNYJJNHOIE-ZDUSSCGKSA-N 1 0 233.359 2.292 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1ccc2nnccc2c1 ZINC000616656844 351197600 /nfs/dbraw/zinc/19/76/00/351197600.db2.gz IFMJRECRWJBSIB-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)N1CCOCC[C@@H]1OC(F)(F)F ZINC000616655912 351201568 /nfs/dbraw/zinc/20/15/68/351201568.db2.gz LZLBKKQDCAEREX-QMMMGPOBSA-N 1 0 241.253 2.370 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1cccc2ccnnc21 ZINC000616656253 351202496 /nfs/dbraw/zinc/20/24/96/351202496.db2.gz RGHOLDSVFXBPCP-CYBMUJFWSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1ccnc(N)c1 ZINC000616656173 351202519 /nfs/dbraw/zinc/20/25/19/351202519.db2.gz PRUMZWZRKOYDNM-GFCCVEGCSA-N 1 0 249.358 2.056 10 0 BEAERO COc1ccccc1[C@H]1CCOCC[N@@H+]1C ZINC000616656482 351203241 /nfs/dbraw/zinc/20/32/41/351203241.db2.gz VXDGAWRFLCJNIM-GFCCVEGCSA-N 1 0 221.300 2.088 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2ccccc2NC)C1 ZINC000616659193 351206372 /nfs/dbraw/zinc/20/63/72/351206372.db2.gz HRNILSPDRSLFFE-GFCCVEGCSA-N 1 0 234.343 2.164 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2cccc(NC)c2)C1 ZINC000616659789 351207990 /nfs/dbraw/zinc/20/79/90/351207990.db2.gz FQZBJTPFPUGIHW-ZDUSSCGKSA-N 1 0 234.343 2.164 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2CCOCC[N@H+]2C)cc1 ZINC000616659653 351208357 /nfs/dbraw/zinc/20/83/57/351208357.db2.gz VYGPSBKIGWDUTA-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccnc2)C1 ZINC000616661568 351210551 /nfs/dbraw/zinc/21/05/51/351210551.db2.gz ULSNIUVBHKSXMG-ZDUSSCGKSA-N 1 0 234.343 2.296 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2ccc(F)cc2)C1 ZINC000616661619 351210619 /nfs/dbraw/zinc/21/06/19/351210619.db2.gz VNUPUPSWGHQKCJ-GFCCVEGCSA-N 1 0 223.291 2.261 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](OC(F)(F)F)C1 ZINC000616661874 351211694 /nfs/dbraw/zinc/21/16/94/351211694.db2.gz ZQAHJXJCQDNFGZ-QMMMGPOBSA-N 1 0 241.253 2.022 10 0 BEAERO CC[N@@H+]1CCOC[C@H](c2ccccc2OC)C1 ZINC000616661986 351212582 /nfs/dbraw/zinc/21/25/82/351212582.db2.gz XQTWEJZQYUDAFC-GFCCVEGCSA-N 1 0 235.327 2.131 10 0 BEAERO F[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616663599 351216339 /nfs/dbraw/zinc/21/63/39/351216339.db2.gz UHXXYKYVWCCDPQ-GFCCVEGCSA-N 1 0 209.264 2.205 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1nc2ccccc2[nH]1 ZINC000111830346 191133391 /nfs/dbraw/zinc/13/33/91/191133391.db2.gz JLKGMNIPHSMSJX-SNVBAGLBSA-N 1 0 232.331 2.348 10 0 BEAERO CC[C@@H](Nc1ncccc1Cl)[C@@H](C)[NH3+] ZINC000306884326 351290342 /nfs/dbraw/zinc/29/03/42/351290342.db2.gz QAZUPGRZCRJVIB-VXNVDRBHSA-N 1 0 213.712 2.273 10 0 BEAERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC=O ZINC000306886153 351293039 /nfs/dbraw/zinc/29/30/39/351293039.db2.gz SECUSNFUYIWMDL-AWEZNQCLSA-N 1 0 246.354 2.033 10 0 BEAERO Cc1cccc(C[NH2+]Cc2nc(C)ccc2O)n1 ZINC000103343254 351312389 /nfs/dbraw/zinc/31/23/89/351312389.db2.gz AXSYLZQLKBPQHY-UHFFFAOYSA-N 1 0 243.310 2.089 10 0 BEAERO C1C[NH2+][C@H]([C@H]2CCCSC2)SC1 ZINC000306901744 351316751 /nfs/dbraw/zinc/31/67/51/351316751.db2.gz OSWCWOJSDJKULD-IUCAKERBSA-N 1 0 203.376 2.182 10 0 BEAERO Clc1ccc2c(c1)C[C@@]1(CC[NH2+]C1)O2 ZINC000082950240 180586474 /nfs/dbraw/zinc/58/64/74/180586474.db2.gz NRBZLVPUYKSSHX-LLVKDONJSA-N 1 0 209.676 2.007 10 0 BEAERO F[C@H](c1ccns1)[C@@H]1CCCC[NH2+]1 ZINC000306875930 351270362 /nfs/dbraw/zinc/27/03/62/351270362.db2.gz BBMHWTMAUCVARZ-CBAPKCEASA-N 1 0 200.282 2.296 10 0 BEAERO F[C@@H](c1ccns1)[C@@H]1CCCC[NH2+]1 ZINC000306875931 351270562 /nfs/dbraw/zinc/27/05/62/351270562.db2.gz BBMHWTMAUCVARZ-IONNQARKSA-N 1 0 200.282 2.296 10 0 BEAERO Nc1cc(C[NH+]2CCCCC2)c2c(c1)COCO2 ZINC000034964103 351367802 /nfs/dbraw/zinc/36/78/02/351367802.db2.gz GKQSACHEVUNZRO-UHFFFAOYSA-N 1 0 248.326 2.121 10 0 BEAERO Cc1ccc([C@H]([NH3+])[C@@H]2CCCO2)cc1C ZINC000034972091 351369383 /nfs/dbraw/zinc/36/93/83/351369383.db2.gz QMAXSVJJWZFTPS-STQMWFEESA-N 1 0 205.301 2.482 10 0 BEAERO Cc1ccc([C@H]([NH3+])[C@H]2CCCO2)cc1C ZINC000034972094 351369392 /nfs/dbraw/zinc/36/93/92/351369392.db2.gz QMAXSVJJWZFTPS-OLZOCXBDSA-N 1 0 205.301 2.482 10 0 BEAERO CC1(C)CC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306960006 351381279 /nfs/dbraw/zinc/38/12/79/351381279.db2.gz AUBMQRROKCJJIR-GFCCVEGCSA-N 1 0 231.343 2.489 10 0 BEAERO C[C@H]1SCC[C@@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000306972330 351395414 /nfs/dbraw/zinc/39/54/14/351395414.db2.gz KUDHBROOJKCJGD-JXUBOQSCSA-N 1 0 217.403 2.364 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000306972331 351395635 /nfs/dbraw/zinc/39/56/35/351395635.db2.gz KUDHBROOJKCJGD-XKNYDFJKSA-N 1 0 217.403 2.364 10 0 BEAERO C[C@@]1([C@@H]([NH3+])c2ccns2)CCCS1 ZINC000306981184 351400894 /nfs/dbraw/zinc/40/08/94/351400894.db2.gz HLUWDBDYYSRBEN-IUCAKERBSA-N 1 0 214.359 2.429 10 0 BEAERO C[C@H]([NH2+]C1CCCC1)C(=O)NC1CCCCC1 ZINC000034936813 351350407 /nfs/dbraw/zinc/35/04/07/351350407.db2.gz APRSKKDQPMGYCW-NSHDSACASA-N 1 0 238.375 2.356 10 0 BEAERO CC(C)=CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113271604 187479311 /nfs/dbraw/zinc/47/93/11/187479311.db2.gz FHBAIIFNTGAXPE-CHWSQXEVSA-N 1 0 208.349 2.121 10 0 BEAERO CCC[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000034940634 351357188 /nfs/dbraw/zinc/35/71/88/351357188.db2.gz DTYIJYUGXDKLSN-NSHDSACASA-N 1 0 218.300 2.005 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000034940653 351357235 /nfs/dbraw/zinc/35/72/35/351357235.db2.gz NPNCDRIIBAJRMF-GFCCVEGCSA-N 1 0 232.327 2.251 10 0 BEAERO F[C@]1(Cc2ccc(Br)o2)CC[NH2+]C1 ZINC000306935042 351359054 /nfs/dbraw/zinc/35/90/54/351359054.db2.gz FNXLIMOFNGITMQ-VIFPVBQESA-N 1 0 248.095 2.286 10 0 BEAERO [NH3+][C@@H]1CCO[C@H]1c1sccc1Cl ZINC000307031068 351433073 /nfs/dbraw/zinc/43/30/73/351433073.db2.gz OSHLGIFDKKFQDF-RNFRBKRXSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1OCCOCc1ccccc1 ZINC000307054100 351454018 /nfs/dbraw/zinc/45/40/18/351454018.db2.gz WOIMIAPCSMKLFF-KBPBESRZSA-N 1 0 235.327 2.100 10 0 BEAERO Cc1cc(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)sn1 ZINC000307065130 351462608 /nfs/dbraw/zinc/46/26/08/351462608.db2.gz RAWTUENEUPNRAX-DTWKUNHWSA-N 1 0 224.329 2.152 10 0 BEAERO [NH3+]C[C@@H](F)Cc1ccsc1Br ZINC000307009102 351416444 /nfs/dbraw/zinc/41/64/44/351416444.db2.gz HMKDCYXSHYGZMP-LURJTMIESA-N 1 0 238.125 2.350 10 0 BEAERO C[C@H](C[NH3+])CNc1ccc(F)cc1Cl ZINC000307075383 351464780 /nfs/dbraw/zinc/46/47/80/351464780.db2.gz NSVSTBGFOKBGHE-SSDOTTSWSA-N 1 0 216.687 2.486 10 0 BEAERO [NH3+]Cc1cc(F)cc(OC(F)F)c1F ZINC000307156828 351507510 /nfs/dbraw/zinc/50/75/10/351507510.db2.gz OPVISMAGDPOVFR-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO C[C@H](C[NH3+])Oc1ccc(Cl)cc1F ZINC000307092368 351470747 /nfs/dbraw/zinc/47/07/47/351470747.db2.gz AYDGTCYPMJCQCY-ZCFIWIBFSA-N 1 0 203.644 2.205 10 0 BEAERO Brc1cc(C[NH2+]C2CC2)co1 ZINC000307126703 351491732 /nfs/dbraw/zinc/49/17/32/351491732.db2.gz IORHYIFXUSJUTM-UHFFFAOYSA-N 1 0 216.078 2.294 10 0 BEAERO Cc1csc([C@@H]([NH3+])[C@@H]2CCSC2)n1 ZINC000224627320 363065026 /nfs/dbraw/zinc/06/50/26/363065026.db2.gz LBASYUPBUXXJQW-SFYZADRCSA-N 1 0 214.359 2.204 10 0 BEAERO C[C@@H](C[N@@H+]1CCC[C@H](C)CC1)C(N)=S ZINC000252104533 363067597 /nfs/dbraw/zinc/06/75/97/363067597.db2.gz GUKYAHROUFSVMN-UWVGGRQHSA-N 1 0 214.378 2.031 10 0 BEAERO F[C@@H](c1ccns1)C1CC[NH2+]CC1 ZINC000307194674 351594287 /nfs/dbraw/zinc/59/42/87/351594287.db2.gz JVKYNTQURHHCBF-SECBINFHSA-N 1 0 200.282 2.153 10 0 BEAERO CC(C)([NH3+])[C@@H](O)c1sccc1Cl ZINC000307199820 351601372 /nfs/dbraw/zinc/60/13/72/351601372.db2.gz BPCFXPUQEUHIGT-ZETCQYMHSA-N 1 0 205.710 2.172 10 0 BEAERO Cc1cc(C)c(C)c2c1[C@H](CC[NH3+])CO2 ZINC000606304149 351561219 /nfs/dbraw/zinc/56/12/19/351561219.db2.gz QJCQDZJTBBPWKE-LLVKDONJSA-N 1 0 205.301 2.437 10 0 BEAERO Cn1cc(C(=O)[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000041249948 180635506 /nfs/dbraw/zinc/63/55/06/180635506.db2.gz YKZPEZJWYRKUOK-GFCCVEGCSA-N 1 0 228.295 2.113 10 0 BEAERO CC(=[NH2+])NCc1coc(Br)c1 ZINC000307253794 351781661 /nfs/dbraw/zinc/78/16/61/351781661.db2.gz WFAFPVSDVJWMJR-UHFFFAOYSA-N 1 0 217.066 2.129 10 0 BEAERO CC1(C)CN(C/C(Cl)=C/Cl)CC[C@@H]1[NH3+] ZINC000307256054 351790631 /nfs/dbraw/zinc/79/06/31/351790631.db2.gz AECLIHRACSFJFG-RDOCRHDPSA-N 1 0 237.174 2.365 10 0 BEAERO C[C@H]([NH3+])c1nc(-c2ccns2)cs1 ZINC000307278039 351833488 /nfs/dbraw/zinc/83/34/88/351833488.db2.gz SVIIEGOWUWBSGN-YFKPBYRVSA-N 1 0 211.315 2.286 10 0 BEAERO CC[C@H]([NH3+])[C@H]1C(=O)c2ccccc2[C@H]1C ZINC000307264602 351812128 /nfs/dbraw/zinc/81/21/28/351812128.db2.gz XFJUIGYSUISYNK-ZHAHWJHGSA-N 1 0 203.285 2.340 10 0 BEAERO Cn1cc(C[C@@H]([NH3+])c2ccccc2Cl)cn1 ZINC000050543354 180654011 /nfs/dbraw/zinc/65/40/11/180654011.db2.gz OQARNKJUPXAHJQ-GFCCVEGCSA-N 1 0 235.718 2.316 10 0 BEAERO Cc1nsc([C@]2([NH3+])CCC[C@H](C)C2)n1 ZINC000307303060 351928690 /nfs/dbraw/zinc/92/86/90/351928690.db2.gz FOUMACPHNXICBC-XVKPBYJWSA-N 1 0 211.334 2.211 10 0 BEAERO CC(C)([NH3+])c1ncc(Br)cc1F ZINC000307307835 351941492 /nfs/dbraw/zinc/94/14/92/351941492.db2.gz NIFWDGAVCADUQA-UHFFFAOYSA-N 1 0 233.084 2.177 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN1CCc2ccccc2C1 ZINC000020073089 351895426 /nfs/dbraw/zinc/89/54/26/351895426.db2.gz HQDIRAZAGKAUPD-OAHLLOKOSA-N 1 0 232.371 2.418 10 0 BEAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638036172 351917054 /nfs/dbraw/zinc/91/70/54/351917054.db2.gz AWVBUEDZBICPIK-UTUOFQBUSA-N 1 0 226.364 2.055 10 0 BEAERO Cc1nc(C2CSC2)sc1[C@@H](C)[NH3+] ZINC000404745723 352024643 /nfs/dbraw/zinc/02/46/43/352024643.db2.gz ZLABRQPVVAQUQX-RXMQYKEDSA-N 1 0 214.359 2.302 10 0 BEAERO COc1cc([C@H]([NH3+])[C@@H]2CC2(C)C)sn1 ZINC000307339617 352081228 /nfs/dbraw/zinc/08/12/28/352081228.db2.gz SAJFIJSIWSJYMQ-IMTBSYHQSA-N 1 0 212.318 2.198 10 0 BEAERO CC[C@H](CC(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000638236622 352088795 /nfs/dbraw/zinc/08/87/95/352088795.db2.gz ZIEDBPVCJJFSCN-IJLUTSLNSA-N 1 0 240.391 2.397 10 0 BEAERO C[C@H]([NH3+])CC(=O)Nc1ccsc1Cl ZINC000307342318 352091333 /nfs/dbraw/zinc/09/13/33/352091333.db2.gz VPCUJMQSFWNRQM-YFKPBYRVSA-N 1 0 218.709 2.077 10 0 BEAERO CC1(C)CS[C@@H]([C@@H]2CCSC2)[NH2+]1 ZINC000224676153 363117530 /nfs/dbraw/zinc/11/75/30/363117530.db2.gz XUVDSWDTMMMHHZ-SFYZADRCSA-N 1 0 203.376 2.181 10 0 BEAERO CCCCCC[NH2+]CCN1CCOC(C)(C)C1 ZINC000053384943 168666460 /nfs/dbraw/zinc/66/64/60/168666460.db2.gz CNKQSYITLQNXAG-UHFFFAOYSA-N 1 0 242.407 2.267 10 0 BEAERO Brc1csnc1[C@H]1CCC[NH2+]1 ZINC000404781356 352431285 /nfs/dbraw/zinc/43/12/85/352431285.db2.gz CKASUWDAQRXIDJ-ZCFIWIBFSA-N 1 0 233.134 2.330 10 0 BEAERO COc1cncc(C2=CC[C@@](C)([NH3+])CC2)c1 ZINC000725271740 538103853 /nfs/dbraw/zinc/10/38/53/538103853.db2.gz BOFBLAICGDLLIT-CYBMUJFWSA-N 1 0 218.300 2.375 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(F)(F)C[C@@H]1C ZINC000638630420 352469756 /nfs/dbraw/zinc/46/97/56/352469756.db2.gz MGAPFDRSTHMETL-UWVGGRQHSA-N 1 0 248.317 2.006 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])[C@@H]1CCCC(C)(C)C1 ZINC000725271893 538103530 /nfs/dbraw/zinc/10/35/30/538103530.db2.gz DSENLHVQWIPYFR-GHMZBOCLSA-N 1 0 227.348 2.483 10 0 BEAERO CC[C@H](C)[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271665 538103560 /nfs/dbraw/zinc/10/35/60/538103560.db2.gz QZEJQCCQUFDGKE-VLJOUNFMSA-N 1 0 209.333 2.332 10 0 BEAERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC#N ZINC000307389793 352546346 /nfs/dbraw/zinc/54/63/46/352546346.db2.gz REVFNKVXSJVMRX-CQSZACIVSA-N 1 0 243.354 2.358 10 0 BEAERO C[C@H]1CCC[N@H+](C[C@H]2CCCCC2=O)C1 ZINC000252175114 363190890 /nfs/dbraw/zinc/19/08/90/363190890.db2.gz OUWGDFAKIPYQCJ-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO CC[C@@H]1CS[C@@]2(CCCC[C@H]2OC)[NH2+]1 ZINC000300214235 352556846 /nfs/dbraw/zinc/55/68/46/352556846.db2.gz NHZRZSIMVRSLDK-GMTAPVOTSA-N 1 0 215.362 2.387 10 0 BEAERO C/C=C/C=C/C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917047 187741755 /nfs/dbraw/zinc/74/17/55/187741755.db2.gz MOCCYFDWNHTTCF-GQNLLBHKSA-N 1 0 248.370 2.109 10 0 BEAERO O[C@@H](c1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000307412970 352589979 /nfs/dbraw/zinc/58/99/79/352589979.db2.gz IEPUMFOFBKQIKW-SNVBAGLBSA-N 1 0 232.110 2.246 10 0 BEAERO CC1(C)CC(NC(=[NH2+])NCc2ccccc2)C1 ZINC000307432757 352595084 /nfs/dbraw/zinc/59/50/84/352595084.db2.gz JISUALWLEUVAGC-UHFFFAOYSA-N 1 0 231.343 2.489 10 0 BEAERO CCOc1ccc2nc(C[NH3+])sc2c1 ZINC000031894568 352602747 /nfs/dbraw/zinc/60/27/47/352602747.db2.gz UCFHJQLVHVHZLN-UHFFFAOYSA-N 1 0 208.286 2.154 10 0 BEAERO Cc1cc([C@@]2(C)CC[C@@H](C[NH3+])O2)cs1 ZINC000307399389 352571946 /nfs/dbraw/zinc/57/19/46/352571946.db2.gz WKFPWFLIDCEYGL-WDEREUQCSA-N 1 0 211.330 2.409 10 0 BEAERO Clc1sccc1N[C@@H]1CC[NH2+]C1 ZINC000307543166 352645662 /nfs/dbraw/zinc/64/56/62/352645662.db2.gz DYSYPNZKOWWXKW-ZCFIWIBFSA-N 1 0 202.710 2.175 10 0 BEAERO CC[C@@H]1CN(Cc2cccc(F)c2)CC[NH2+]1 ZINC000082925154 187794650 /nfs/dbraw/zinc/79/46/50/187794650.db2.gz NMFIIHRUIZGYME-CYBMUJFWSA-N 1 0 222.307 2.010 10 0 BEAERO C[C@H]1C[C@H](c2cnn(Cc3ccccc3)c2)C[NH2+]1 ZINC000307551847 352648029 /nfs/dbraw/zinc/64/80/29/352648029.db2.gz TYOILWPHSWGMJJ-JSGCOSHPSA-N 1 0 241.338 2.397 10 0 BEAERO C[C@H]1CC(Cc2cncs2)=C[C@@H]([NH3+])C1 ZINC000307572822 352658152 /nfs/dbraw/zinc/65/81/52/352658152.db2.gz FEKQRAAWJLZGAS-WPRPVWTQSA-N 1 0 208.330 2.369 10 0 BEAERO Cc1ccc(C2=[NH+]CCN2)c(Br)c1 ZINC000307581044 352660758 /nfs/dbraw/zinc/66/07/58/352660758.db2.gz ZXSSCOPFZUCBSO-UHFFFAOYSA-N 1 0 239.116 2.107 10 0 BEAERO C[NH2+]Cc1coc(COCc2ccccc2)n1 ZINC000307587707 352662062 /nfs/dbraw/zinc/66/20/62/352662062.db2.gz VBGGEAORUTUKTG-UHFFFAOYSA-N 1 0 232.283 2.111 10 0 BEAERO C[C@H](NC1=[NH+]CCCS1)C(C)(F)F ZINC000307594160 352664791 /nfs/dbraw/zinc/66/47/91/352664791.db2.gz JWNLNPQBEJWISW-LURJTMIESA-N 1 0 208.277 2.113 10 0 BEAERO CC(C)[NH+]1CCC(n2ncc(Cl)c2N)CC1 ZINC000043665214 187778157 /nfs/dbraw/zinc/77/81/57/187778157.db2.gz WCQNWDAENIVVMX-UHFFFAOYSA-N 1 0 242.754 2.164 10 0 BEAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccco1 ZINC000062618199 187784717 /nfs/dbraw/zinc/78/47/17/187784717.db2.gz MBPGKJDPXGIXLQ-ZDUSSCGKSA-N 1 0 236.359 2.488 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@]21CCSC1 ZINC000307503701 352630478 /nfs/dbraw/zinc/63/04/78/352630478.db2.gz XKCHPTBYWVAWMJ-JTQLQIEISA-N 1 0 211.355 2.226 10 0 BEAERO CC[C@@H]1CS[C@@]2(CSC[C@@H]2C)[NH2+]1 ZINC000307525925 352634872 /nfs/dbraw/zinc/63/48/72/352634872.db2.gz HEYJKZZDZKZWKA-DJLDLDEBSA-N 1 0 203.376 2.181 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)cc(O)c1 ZINC000638756680 352687420 /nfs/dbraw/zinc/68/74/20/352687420.db2.gz JVCXFZGWMORKMR-JOYOIKCWSA-N 1 0 236.315 2.013 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000638757122 352687963 /nfs/dbraw/zinc/68/79/63/352687963.db2.gz OKOAWIODJKNRJW-AWEZNQCLSA-N 1 0 248.326 2.171 10 0 BEAERO Cc1cc(O)cc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000638755825 352689508 /nfs/dbraw/zinc/68/95/08/352689508.db2.gz CJKYCRFTZCMJKB-GFCCVEGCSA-N 1 0 236.315 2.013 10 0 BEAERO Cc1cccc(-c2noc(CC[C@H](C)[NH3+])n2)c1 ZINC000104062946 187804912 /nfs/dbraw/zinc/80/49/12/187804912.db2.gz GZMNDVHZDIEWPY-JTQLQIEISA-N 1 0 231.299 2.325 10 0 BEAERO Cc1ccc(COC[C@@H]2CCCC[NH2+]2)o1 ZINC000051815936 187811857 /nfs/dbraw/zinc/81/18/57/187811857.db2.gz QOBBKMAGJYSNMH-NSHDSACASA-N 1 0 209.289 2.247 10 0 BEAERO C/C=C/c1ccc(OCC[NH3+])c(OC)c1 ZINC000053588545 187818871 /nfs/dbraw/zinc/81/88/71/187818871.db2.gz AZRJYKNYHLFEIO-ONEGZZNKSA-N 1 0 207.273 2.066 10 0 BEAERO CC1(C)[C@H]([NH2+]C2CC(F)(F)C2)[C@@H]2CCO[C@@H]21 ZINC000309418811 187820572 /nfs/dbraw/zinc/82/05/72/187820572.db2.gz JORHBYPAMPLLNM-AEJSXWLSSA-N 1 0 231.286 2.187 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055086505 1172154342 /nfs/dbraw/zinc/15/43/42/1172154342.db2.gz ADKNHPGYRXNELK-VXGBXAGGSA-N 1 0 226.364 2.153 10 0 BEAERO CC(C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055090788 1172154438 /nfs/dbraw/zinc/15/44/38/1172154438.db2.gz XIBYUGLHAITPJI-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO COC(=O)CCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000037417150 358473115 /nfs/dbraw/zinc/47/31/15/358473115.db2.gz YFDZTZHYBDIDJG-QMMMGPOBSA-N 1 0 242.344 2.055 10 0 BEAERO [NH3+][C@H]1CCC[C@](F)(c2cnsc2)C1 ZINC000405072167 352791815 /nfs/dbraw/zinc/79/18/15/352791815.db2.gz HHMYCPQAQWQBHE-DTWKUNHWSA-N 1 0 200.282 2.209 10 0 BEAERO C[C@@H]1SCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307681837 352804504 /nfs/dbraw/zinc/80/45/04/352804504.db2.gz YXNPUMMXRMEWLX-JQWIXIFHSA-N 1 0 249.383 2.195 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CCCCC1 ZINC000055091710 1172154713 /nfs/dbraw/zinc/15/47/13/1172154713.db2.gz CNZAVNOZPHDIQD-AAEUAGOBSA-N 1 0 238.375 2.343 10 0 BEAERO Fc1cccc2[nH]c([C@H]3CC[NH2+]C3)cc21 ZINC000082927890 323940159 /nfs/dbraw/zinc/94/01/59/323940159.db2.gz RKGOSYPARHSCPH-QMMMGPOBSA-N 1 0 204.248 2.384 10 0 BEAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)cn1 ZINC000092196198 538106487 /nfs/dbraw/zinc/10/64/87/538106487.db2.gz SJQZVPFSTICDIS-PWSUYJOCSA-N 1 0 238.306 2.440 10 0 BEAERO CC[C@](C)(NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000638857834 353034436 /nfs/dbraw/zinc/03/44/36/353034436.db2.gz IRHYYURLYQKIOI-QKCSRTOESA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@](C)(NC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000638857831 353034622 /nfs/dbraw/zinc/03/46/22/353034622.db2.gz IRHYYURLYQKIOI-JKOKRWQUSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@](C)(NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000638858677 353035557 /nfs/dbraw/zinc/03/55/57/353035557.db2.gz VHNHQZGDXGKKMP-OSMZGAPFSA-N 1 0 238.375 2.199 10 0 BEAERO OC1CC([NH2+]Cc2ccsc2Cl)C1 ZINC000306248667 352999915 /nfs/dbraw/zinc/99/99/15/352999915.db2.gz XPYZOFLVMMRDFS-UHFFFAOYSA-N 1 0 217.721 2.014 10 0 BEAERO Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000306371670 353007469 /nfs/dbraw/zinc/00/74/69/353007469.db2.gz HCWHRBFLYDFREL-KXUCPTDWSA-N 1 0 208.330 2.340 10 0 BEAERO C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1C[NH3+] ZINC000638889277 353058269 /nfs/dbraw/zinc/05/82/69/353058269.db2.gz ZYKHBAYUDYNVII-YPMHNXCESA-N 1 0 238.375 2.010 10 0 BEAERO [NH3+][C@@H]1CC[C@H]1Cc1coc(Br)c1 ZINC000307284179 353066355 /nfs/dbraw/zinc/06/63/55/353066355.db2.gz MYSWEZUGBVZTGC-JGVFFNPUSA-N 1 0 230.105 2.322 10 0 BEAERO CCC(C)(C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638864825 353038346 /nfs/dbraw/zinc/03/83/46/353038346.db2.gz BUESEPKXKAHAIZ-LBPRGKRZSA-N 1 0 240.391 2.319 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCCC(C)(C)CC ZINC000638865820 353039742 /nfs/dbraw/zinc/03/97/42/353039742.db2.gz KNRZBNUSCIUZNM-SNVBAGLBSA-N 1 0 214.353 2.056 10 0 BEAERO CCCC[C@H](CC)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638883893 353050611 /nfs/dbraw/zinc/05/06/11/353050611.db2.gz CCBIRIVCGMPJLM-FRRDWIJNSA-N 1 0 240.391 2.256 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2OCC[C@H]2C)cs1 ZINC000129491154 353139135 /nfs/dbraw/zinc/13/91/35/353139135.db2.gz ZEUPLSQHQUUIRV-PPKCKEKNSA-N 1 0 211.330 2.481 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)C(C)C ZINC000300229497 188073591 /nfs/dbraw/zinc/07/35/91/188073591.db2.gz XZZSYWNGDUTXIM-CHWSQXEVSA-N 1 0 231.380 2.140 10 0 BEAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2(CO)CC2)o1 ZINC000120374576 188075223 /nfs/dbraw/zinc/07/52/23/188075223.db2.gz QVVSAZXXUIDOPH-GXSJLCMTSA-N 1 0 221.300 2.018 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]([S@@](=O)C(C)(C)C)C1 ZINC000218752688 353151920 /nfs/dbraw/zinc/15/19/20/353151920.db2.gz NGFKHRCEMVFNLY-ISTVAULSSA-N 1 0 217.378 2.064 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H]([S@@](=O)C(C)(C)C)C1 ZINC000218752639 353152232 /nfs/dbraw/zinc/15/22/32/353152232.db2.gz NGFKHRCEMVFNLY-GPCCPHFNSA-N 1 0 217.378 2.064 10 0 BEAERO CC(=O)CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000103473083 188082297 /nfs/dbraw/zinc/08/22/97/188082297.db2.gz LIBHCEZKEZRGSF-NSHDSACASA-N 1 0 238.356 2.302 10 0 BEAERO Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[C@@H]1C ZINC000281447873 188095560 /nfs/dbraw/zinc/09/55/60/188095560.db2.gz SPJUJMBVHFLUOC-JOYOIKCWSA-N 1 0 207.321 2.270 10 0 BEAERO C[NH+]1CCC(O)(c2cnc3ccccc3c2)CC1 ZINC000037761327 188099011 /nfs/dbraw/zinc/09/90/11/188099011.db2.gz DMACQZNTADQBCK-UHFFFAOYSA-N 1 0 242.322 2.148 10 0 BEAERO CC(C)=CC[NH2+]CCCOC[C@H]1CCCO1 ZINC000236731457 188086831 /nfs/dbraw/zinc/08/68/31/188086831.db2.gz AYAHTCLPSFDRSL-CYBMUJFWSA-N 1 0 227.348 2.128 10 0 BEAERO CC(C)(C)c1c[nH]c([C@@](C)([NH3+])C2CC2)n1 ZINC000037479323 188107528 /nfs/dbraw/zinc/10/75/28/188107528.db2.gz UGTOOXGNWLMUKQ-LBPRGKRZSA-N 1 0 207.321 2.291 10 0 BEAERO Cc1ccc(OCCCCN2CC[NH2+]CC2)cc1 ZINC000023363316 188109336 /nfs/dbraw/zinc/10/93/36/188109336.db2.gz BIRTYSGWHYBTDX-UHFFFAOYSA-N 1 0 248.370 2.059 10 0 BEAERO C[C@@H]1CO[C@@H](c2ccc(Cl)s2)C[NH2+]1 ZINC000035286471 188111475 /nfs/dbraw/zinc/11/14/75/188111475.db2.gz PQHXSCSSYWJBPU-RNFRBKRXSA-N 1 0 217.721 2.451 10 0 BEAERO CCN(C)c1nc2ccccc2cc1C[NH3+] ZINC000037079106 188113231 /nfs/dbraw/zinc/11/32/31/188113231.db2.gz GJVIAHCIHSSDIW-UHFFFAOYSA-N 1 0 215.300 2.150 10 0 BEAERO CC(C)[C@H]([NH3+])c1nc(-c2cccnc2)c[nH]1 ZINC000036877067 188113551 /nfs/dbraw/zinc/11/35/51/188113551.db2.gz QFEPBSQLELHUBV-NSHDSACASA-N 1 0 216.288 2.128 10 0 BEAERO C[N@H+](CC1CC1)C[C@@H]1CNc2ccccc2O1 ZINC000037925704 188114768 /nfs/dbraw/zinc/11/47/68/188114768.db2.gz CFNMYZWJMCALCO-LBPRGKRZSA-N 1 0 232.327 2.201 10 0 BEAERO COc1ccc(C[C@@H](C)[NH3+])cc1OCC(F)F ZINC000037756467 188114961 /nfs/dbraw/zinc/11/49/61/188114961.db2.gz ZCQVYFVQAPNIER-MRVPVSSYSA-N 1 0 245.269 2.229 10 0 BEAERO CC(C)(C)c1ccc([C@H](C[NH3+])CCO)cc1 ZINC000041238215 188118787 /nfs/dbraw/zinc/11/87/87/188118787.db2.gz BXDFYRITYOHHJP-LBPRGKRZSA-N 1 0 221.344 2.409 10 0 BEAERO CC(C)C[C@@H](C)N(C)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042592412 188120981 /nfs/dbraw/zinc/12/09/81/188120981.db2.gz ONDPCASXMFRQBL-OLZOCXBDSA-N 1 0 240.391 2.412 10 0 BEAERO CC(C)(C)[C@H](C[NH3+])n1cc(Br)cn1 ZINC000043294984 188121675 /nfs/dbraw/zinc/12/16/75/188121675.db2.gz HJYAFPIKNQZICG-QMMMGPOBSA-N 1 0 246.152 2.192 10 0 BEAERO Cc1cc(C)cc([C@@H]2C[NH2+]CCCO2)c1 ZINC000082930756 188122165 /nfs/dbraw/zinc/12/21/65/188122165.db2.gz CSVIEXRYEJKLHD-ZDUSSCGKSA-N 1 0 205.301 2.354 10 0 BEAERO Cc1cnc(SC[C@H]2CCC[NH2+]2)nc1Cl ZINC000095068734 188145076 /nfs/dbraw/zinc/14/50/76/188145076.db2.gz ZTBUWDMLMIPGDK-MRVPVSSYSA-N 1 0 243.763 2.283 10 0 BEAERO Cc1c(F)cccc1N1CC[NH2+][C@H](C)CC1 ZINC000044418861 188124020 /nfs/dbraw/zinc/12/40/20/188124020.db2.gz BNAYTKAKBWDSAG-SNVBAGLBSA-N 1 0 222.307 2.322 10 0 BEAERO COc1ccc([C@H]([NH2+]C2COC2)C2CC2)cc1 ZINC000094710058 188145938 /nfs/dbraw/zinc/14/59/38/188145938.db2.gz CZTXKGCFYZASGQ-CQSZACIVSA-N 1 0 233.311 2.135 10 0 BEAERO Cc1ccc(C)c(CC2(O)CC[NH+](C)CC2)c1 ZINC000049257513 188125116 /nfs/dbraw/zinc/12/51/16/188125116.db2.gz IOKBYZOIAMMGDK-UHFFFAOYSA-N 1 0 233.355 2.303 10 0 BEAERO CSc1nccc(SC[C@H]2CCC[NH2+]2)n1 ZINC000095071817 188145943 /nfs/dbraw/zinc/14/59/43/188145943.db2.gz VTROZPFNMHDQFI-MRVPVSSYSA-N 1 0 241.385 2.043 10 0 BEAERO COc1ccc(F)cc1C(=O)C[NH2+]C(C)(C)C ZINC000049829661 188125254 /nfs/dbraw/zinc/12/52/54/188125254.db2.gz OQFNWOZJIDZFAW-UHFFFAOYSA-N 1 0 239.290 2.405 10 0 BEAERO COc1ccc([C@H](O)C[NH2+]CC(C)C)cc1F ZINC000049830542 188125686 /nfs/dbraw/zinc/12/56/86/188125686.db2.gz DDYLEIILFYQZIF-GFCCVEGCSA-N 1 0 241.306 2.113 10 0 BEAERO C[NH2+]Cc1ccc(COCCOC(C)C)cc1 ZINC000052627520 188126301 /nfs/dbraw/zinc/12/63/01/188126301.db2.gz QBDIPXHXZMKUDH-UHFFFAOYSA-N 1 0 237.343 2.348 10 0 BEAERO C[C@H]1CCC[C@@H](OCc2cc(C[NH3+])no2)C1 ZINC000052631986 188126450 /nfs/dbraw/zinc/12/64/50/188126450.db2.gz BVUWMWPRONQTCB-GXSJLCMTSA-N 1 0 224.304 2.229 10 0 BEAERO CC[C@H](CC[NH3+])NC(=O)Nc1ccccc1F ZINC000054162098 188126878 /nfs/dbraw/zinc/12/68/78/188126878.db2.gz WZARWPBPLJXNEH-SECBINFHSA-N 1 0 239.294 2.075 10 0 BEAERO CSc1nccc(S[C@H]2CCC[NH2+]C2)n1 ZINC000095071807 188145634 /nfs/dbraw/zinc/14/56/34/188145634.db2.gz AVRPBCVKTJGGJH-QMMMGPOBSA-N 1 0 241.385 2.043 10 0 BEAERO CC(C)(C)[C@H]([NH3+])c1nncn1C1CCCC1 ZINC000054526479 188127230 /nfs/dbraw/zinc/12/72/30/188127230.db2.gz LJVZFXVXXWUBHF-SNVBAGLBSA-N 1 0 222.336 2.439 10 0 BEAERO CC[C@@H]1CCCC[N@@H+]1[C@]1(CN)CCCSC1 ZINC000061590001 188128204 /nfs/dbraw/zinc/12/82/04/188128204.db2.gz PGGMRXRVOBIHMB-OLZOCXBDSA-N 1 0 242.432 2.475 10 0 BEAERO CC(=O)Nc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000071424864 188130517 /nfs/dbraw/zinc/13/05/17/188130517.db2.gz WHJMCFFBDGSCPU-UHFFFAOYSA-N 1 0 232.327 2.187 10 0 BEAERO CC(C)Cc1noc([C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000070501630 188130613 /nfs/dbraw/zinc/13/06/13/188130613.db2.gz BWQNVPIDCCZJCR-VHSXEESVSA-N 1 0 223.320 2.253 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1ccc2c(c1)OCCCO2 ZINC000071424776 188130767 /nfs/dbraw/zinc/13/07/67/188130767.db2.gz SENNIEYNXQBFFZ-GFCCVEGCSA-N 1 0 235.327 2.374 10 0 BEAERO CC(C)C[C@]1(c2ccccc2)C[C@]1(C[NH3+])CO ZINC000070553578 188130940 /nfs/dbraw/zinc/13/09/40/188130940.db2.gz CZKUMOLKLKWMAI-LSDHHAIUSA-N 1 0 233.355 2.312 10 0 BEAERO CCn1c2ccc(OC)cc2nc1[C@H](C)[NH3+] ZINC000074297662 188132092 /nfs/dbraw/zinc/13/20/92/188132092.db2.gz RHLVFJIHTRGRPB-QMMMGPOBSA-N 1 0 219.288 2.085 10 0 BEAERO CC(C)C[C@@H](CCC[NH3+])C(=O)N1CCCC1 ZINC000076612333 188134016 /nfs/dbraw/zinc/13/40/16/188134016.db2.gz HZDRGDVJYKWFMP-GFCCVEGCSA-N 1 0 226.364 2.010 10 0 BEAERO Cc1cc(C)cc(NC(=O)C[C@H](C)C[NH3+])c1 ZINC000076610221 188134626 /nfs/dbraw/zinc/13/46/26/188134626.db2.gz VKTVSCNMYJHCKG-NSHDSACASA-N 1 0 220.316 2.227 10 0 BEAERO Cc1ccc(Cl)cc1NC(=O)C1(C[NH3+])CC1 ZINC000077384323 188136053 /nfs/dbraw/zinc/13/60/53/188136053.db2.gz OBQGQXMGYJVLEW-UHFFFAOYSA-N 1 0 238.718 2.326 10 0 BEAERO CC(C)(C[NH3+])[C@H](O)c1cccc(Cl)c1 ZINC000082642436 188139707 /nfs/dbraw/zinc/13/97/07/188139707.db2.gz QULWAHBOBYADJL-SNVBAGLBSA-N 1 0 213.708 2.358 10 0 BEAERO CC(C)[C@@H]1C[N@H+](C)[C@H](C2CCCCC2)CN1 ZINC000082935943 188140304 /nfs/dbraw/zinc/14/03/04/188140304.db2.gz PTNPSKKXWYHYNX-KBPBESRZSA-N 1 0 224.392 2.495 10 0 BEAERO COc1ccc([C@H](C[NH3+])C(F)(F)F)cc1OC ZINC000082719116 188140940 /nfs/dbraw/zinc/14/09/40/188140940.db2.gz KBLIBWQKVAGTTE-QMMMGPOBSA-N 1 0 249.232 2.308 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1csc(C)c1 ZINC000638995240 353236009 /nfs/dbraw/zinc/23/60/09/353236009.db2.gz YWUFIEZDEUJONU-GMSGAONNSA-N 1 0 226.345 2.368 10 0 BEAERO Cc1cc(N)c[nH+]c1N(C)CC(C)(C)C ZINC000052813426 188158443 /nfs/dbraw/zinc/15/84/43/188158443.db2.gz JXCWBEGFWHOIKW-UHFFFAOYSA-N 1 0 207.321 2.455 10 0 BEAERO C[NH2+]Cc1cc(COC)c(Cl)s1 ZINC000108378033 188161231 /nfs/dbraw/zinc/16/12/31/188161231.db2.gz XYBRTUBKXPBPLI-UHFFFAOYSA-N 1 0 205.710 2.267 10 0 BEAERO FC(F)(F)c1ccnc(CC2CC[NH2+]CC2)n1 ZINC000067175747 180896274 /nfs/dbraw/zinc/89/62/74/180896274.db2.gz AHZPIQMCUVGIDC-UHFFFAOYSA-N 1 0 245.248 2.038 10 0 BEAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)cs1 ZINC000638994098 353228711 /nfs/dbraw/zinc/22/87/11/353228711.db2.gz INNJWDZHSKQMLI-KOLCDFICSA-N 1 0 238.356 2.383 10 0 BEAERO CC(C)(C)c1ccc(OC2CC2)c(C[NH3+])n1 ZINC000095738191 188147225 /nfs/dbraw/zinc/14/72/25/188147225.db2.gz HEGCTLXDGVRPSW-UHFFFAOYSA-N 1 0 220.316 2.379 10 0 BEAERO CC(C)[C@H](C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000236632418 188148593 /nfs/dbraw/zinc/14/85/93/188148593.db2.gz MXTBFCFGZVRAAJ-YPMHNXCESA-N 1 0 228.380 2.158 10 0 BEAERO CC1(C)C(=O)C[C@H]1OCc1ccc(C[NH3+])cc1 ZINC000098095954 188148677 /nfs/dbraw/zinc/14/86/77/188148677.db2.gz AXVNOTIPEVTRMC-CYBMUJFWSA-N 1 0 233.311 2.030 10 0 BEAERO CC(C)[N@H+](C)CC[C@H](N)c1ccccc1 ZINC000020073245 188175334 /nfs/dbraw/zinc/17/53/34/188175334.db2.gz VBBDPXPUDTVQKQ-ZDUSSCGKSA-N 1 0 206.333 2.417 10 0 BEAERO CC[C@@H]1CCCCN1c1ncc(C[NH3+])s1 ZINC000054895071 188178033 /nfs/dbraw/zinc/17/80/33/188178033.db2.gz GIVWQYHKBKPBSF-SECBINFHSA-N 1 0 225.361 2.371 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCC(=O)C2)C1 ZINC000252195194 363209914 /nfs/dbraw/zinc/20/99/14/363209914.db2.gz VKXYGWDCZXNINZ-UTUOFQBUSA-N 1 0 209.333 2.476 10 0 BEAERO FC1(F)Oc2ccc([C@H]3CCC[NH2+]3)cc2O1 ZINC000072202423 180919830 /nfs/dbraw/zinc/91/98/30/180919830.db2.gz AOESAXVPUKOBRA-MRVPVSSYSA-N 1 0 227.210 2.433 10 0 BEAERO CC(=O)N1CC[N@@H+]([C@H]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000336467258 188229710 /nfs/dbraw/zinc/22/97/10/188229710.db2.gz VREXJRVXOAHYHS-YPMHNXCESA-N 1 0 238.375 2.118 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCCOC1)c1nccs1 ZINC000134951973 538114271 /nfs/dbraw/zinc/11/42/71/538114271.db2.gz FMNOCQPVWHKCTK-NXEZZACHSA-N 1 0 226.345 2.015 10 0 BEAERO C[C@H]1CCCCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134569867 188222871 /nfs/dbraw/zinc/22/28/71/188222871.db2.gz JLORRAGHCALHBX-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)([NH3+])[C@H](O)c1cc(Cl)cs1 ZINC000129100464 353309141 /nfs/dbraw/zinc/30/91/41/353309141.db2.gz GOKFENHCOMZRNY-SSDOTTSWSA-N 1 0 205.710 2.172 10 0 BEAERO C[NH2+][C@H](C1=COCCC1)[C@@H]1CCCS1 ZINC000160141935 353304830 /nfs/dbraw/zinc/30/48/30/353304830.db2.gz NYVVYKGTPIZUGA-WDEREUQCSA-N 1 0 213.346 2.164 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+]C1CCOCC1 ZINC000336734132 180937678 /nfs/dbraw/zinc/93/76/78/180937678.db2.gz MVPHVIQFCOVXRC-PWSUYJOCSA-N 1 0 215.312 2.283 10 0 BEAERO CC1(C)C[N@H+](Cc2cccc3c2NCC3)CCO1 ZINC000130497414 353353907 /nfs/dbraw/zinc/35/39/07/353353907.db2.gz ASTUDPFMEGUCKD-UHFFFAOYSA-N 1 0 246.354 2.265 10 0 BEAERO Fc1cc(F)c(N[C@H]2CCC[NH2+]C2)cc1F ZINC000061093710 180951264 /nfs/dbraw/zinc/95/12/64/180951264.db2.gz QNXADYIPIIFJJZ-ZETCQYMHSA-N 1 0 230.233 2.268 10 0 BEAERO CC[C@H]1C[C@]1([NH3+])c1ncccc1Br ZINC000133348729 353413682 /nfs/dbraw/zinc/41/36/82/353413682.db2.gz NZSFFWIJHCSJKT-OIBJUYFYSA-N 1 0 241.132 2.428 10 0 BEAERO Fc1ccc(F)c([C@H]2C[NH2+]CCCO2)c1 ZINC000035598746 180975084 /nfs/dbraw/zinc/97/50/84/180975084.db2.gz TXKAZNLXUHRRJQ-LLVKDONJSA-N 1 0 213.227 2.016 10 0 BEAERO Fc1ccc(N[C@@H]2CCC[NH2+]C2)c(F)c1F ZINC000043323990 180978958 /nfs/dbraw/zinc/97/89/58/180978958.db2.gz JOJXPTJWEMMDFS-SSDOTTSWSA-N 1 0 230.233 2.268 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2F)C[NH2+]1 ZINC000399014600 353585493 /nfs/dbraw/zinc/58/54/93/353585493.db2.gz DHWIFDILXITQGJ-MWLCHTKSSA-N 1 0 233.290 2.250 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)cc1 ZINC000037876776 358479250 /nfs/dbraw/zinc/47/92/50/358479250.db2.gz PVLZFVTWNBEGKA-CABCVRRESA-N 1 0 249.354 2.478 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000085789614 491053046 /nfs/dbraw/zinc/05/30/46/491053046.db2.gz NFINELIEMYHCAE-YUSALJHKSA-N 1 0 202.301 2.457 10 0 BEAERO CNC(=O)c1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000037468016 188437420 /nfs/dbraw/zinc/43/74/20/188437420.db2.gz MBUGESBWXZEZHE-NSHDSACASA-N 1 0 246.354 2.324 10 0 BEAERO CC(C)C[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152533 188437746 /nfs/dbraw/zinc/43/77/46/188437746.db2.gz FOQIVPYOGQHPAA-VOMCLLRMSA-N 1 0 226.364 2.055 10 0 BEAERO C[N@H+](Cc1cccs1)[C@H]1CCC[C@H]1O ZINC000252393008 363234836 /nfs/dbraw/zinc/23/48/36/363234836.db2.gz XHDOPRAORYBGNS-WDEREUQCSA-N 1 0 211.330 2.093 10 0 BEAERO CC(C)[N@H+](C)CCCC(=O)Nc1cccc(N)c1 ZINC000022222103 188463929 /nfs/dbraw/zinc/46/39/29/188463929.db2.gz FQHXSSMEGWNJMW-UHFFFAOYSA-N 1 0 249.358 2.328 10 0 BEAERO CC(=O)Nc1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000041299500 188475722 /nfs/dbraw/zinc/47/57/22/188475722.db2.gz IVTLDZKUCNEWKP-GFCCVEGCSA-N 1 0 247.342 2.057 10 0 BEAERO Fc1cccc2[nH]c([C@@H]3CCC[NH2+]C3)nc21 ZINC000037442271 181004179 /nfs/dbraw/zinc/00/41/79/181004179.db2.gz CVDNRJHSQHHCFS-MRVPVSSYSA-N 1 0 219.263 2.169 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1cc(F)ccc1F ZINC000054929340 188484612 /nfs/dbraw/zinc/48/46/12/188484612.db2.gz WOQLZBYKWTVNJV-VXGBXAGGSA-N 1 0 229.270 2.372 10 0 BEAERO CC(C)(C[NH3+])Oc1cccc(F)c1F ZINC000062654242 188487069 /nfs/dbraw/zinc/48/70/69/188487069.db2.gz PDITYYSEJNZPPC-UHFFFAOYSA-N 1 0 201.216 2.081 10 0 BEAERO CC(=O)Nc1cccc(NC(=[NH2+])NC(C)(C)C)c1 ZINC000052069571 188482711 /nfs/dbraw/zinc/48/27/11/188482711.db2.gz RURAEOGICGZNCK-UHFFFAOYSA-N 1 0 248.330 2.380 10 0 BEAERO Fc1ccccc1CC[NH2+]Cc1ccc[nH]1 ZINC000048463011 181011945 /nfs/dbraw/zinc/01/19/45/181011945.db2.gz BQBIKEVLHQMQIO-UHFFFAOYSA-N 1 0 218.275 2.486 10 0 BEAERO C[NH2+]Cc1c(C)cccc1Br ZINC000165853655 353753278 /nfs/dbraw/zinc/75/32/78/353753278.db2.gz NLTXJFRRFDJKCQ-UHFFFAOYSA-N 1 0 214.106 2.477 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2cccc(F)c2C#N)C[NH2+]1 ZINC000399047523 353741172 /nfs/dbraw/zinc/74/11/72/353741172.db2.gz VFFKRECICIBIDR-NXEZZACHSA-N 1 0 233.290 2.250 10 0 BEAERO Fc1ccccc1CC[NH2+]CC1CCOCC1 ZINC000052171817 181011484 /nfs/dbraw/zinc/01/14/84/181011484.db2.gz RGDSIXIDIAZFCU-UHFFFAOYSA-N 1 0 237.318 2.384 10 0 BEAERO Fc1ccccc1CNC1=[NH+]CCS1 ZINC000013858494 181011512 /nfs/dbraw/zinc/01/15/12/181011512.db2.gz CXBXXHKJBAJCMA-UHFFFAOYSA-N 1 0 210.277 2.018 10 0 BEAERO Fc1cnccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000083694584 181020475 /nfs/dbraw/zinc/02/04/75/181020475.db2.gz VRHFPJZFCWNIIS-CQSZACIVSA-N 1 0 228.270 2.456 10 0 BEAERO [NH3+][C@@H](C[C@H]1CCCO1)c1ccccc1F ZINC000052897871 188516074 /nfs/dbraw/zinc/51/60/74/188516074.db2.gz JZHFZRCLRWTMER-SKDRFNHKSA-N 1 0 209.264 2.395 10 0 BEAERO CO[C@H](C[NH2+]CC1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000639135190 353844975 /nfs/dbraw/zinc/84/49/75/353844975.db2.gz HYURKOSPYNGRCT-COPLHBTASA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000343514634 353925270 /nfs/dbraw/zinc/92/52/70/353925270.db2.gz PAZMVGURKXHYRJ-RKQHYHRCSA-N 1 0 241.375 2.205 10 0 BEAERO CCc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000032010501 188537904 /nfs/dbraw/zinc/53/79/04/188537904.db2.gz DWJIFYIOJSRCIX-CHWSQXEVSA-N 1 0 205.301 2.034 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@@H]1c1cncc(Br)c1 ZINC000301028195 363340920 /nfs/dbraw/zinc/34/09/20/363340920.db2.gz SXJGPOABXDDPKE-DTWKUNHWSA-N 1 0 241.132 2.295 10 0 BEAERO CCCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113230395 354311081 /nfs/dbraw/zinc/31/10/81/354311081.db2.gz SDAOAQVJAQZAHH-QWHCGFSZSA-N 1 0 238.375 2.262 10 0 BEAERO [NH3+][C@H]1CCCCCC[C@H]1OCC(F)F ZINC000130581950 363390739 /nfs/dbraw/zinc/39/07/39/363390739.db2.gz BKKYPVDGPBTVDG-DTWKUNHWSA-N 1 0 207.264 2.318 10 0 BEAERO CCC(C)(C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000335202665 355036952 /nfs/dbraw/zinc/03/69/52/355036952.db2.gz ILUWZRMVNJGAIS-RYUDHWBXSA-N 1 0 238.375 2.118 10 0 BEAERO CSCCCC[NH2+]Cc1ccccn1 ZINC000124931535 324628202 /nfs/dbraw/zinc/62/82/02/324628202.db2.gz LJYNUVFAPCKRPO-UHFFFAOYSA-N 1 0 210.346 2.314 10 0 BEAERO CSCCCC[NH2+]Cc1cscn1 ZINC000124936905 324628524 /nfs/dbraw/zinc/62/85/24/324628524.db2.gz SUKIRDPDVHCNNW-UHFFFAOYSA-N 1 0 216.375 2.376 10 0 BEAERO NC(=[NH2+])CCOc1cccc(Br)c1 ZINC000019428575 181186930 /nfs/dbraw/zinc/18/69/30/181186930.db2.gz XMBDYPCBCVTRKP-UHFFFAOYSA-N 1 0 243.104 2.154 10 0 BEAERO NC(=[NH2+])COc1ccc(F)c(C(F)(F)F)c1 ZINC000075881302 181186397 /nfs/dbraw/zinc/18/63/97/181186397.db2.gz DWCBZCYLMXWTIV-UHFFFAOYSA-N 1 0 236.168 2.159 10 0 BEAERO NC(=[NH2+])CCOc1ccc(OC(F)(F)F)cc1 ZINC000075881263 181186654 /nfs/dbraw/zinc/18/66/54/181186654.db2.gz AKKARKSTGKWYAV-UHFFFAOYSA-N 1 0 248.204 2.290 10 0 BEAERO C[C@@H](O)CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000125407757 324639974 /nfs/dbraw/zinc/63/99/74/324639974.db2.gz DLWDESPFOYUMQJ-KXMPLOMGSA-N 1 0 223.291 2.199 10 0 BEAERO NC(=[NH2+])c1ccc(-c2ccc(F)cc2)cn1 ZINC000071186721 181193542 /nfs/dbraw/zinc/19/35/42/181193542.db2.gz LQIOMGBRLNJAJH-UHFFFAOYSA-N 1 0 215.231 2.172 10 0 BEAERO NC(=[NH2+])c1cc(OC2CCCCC2)ccn1 ZINC000061814498 181193990 /nfs/dbraw/zinc/19/39/90/181193990.db2.gz ZPTYNGQZMGNXQO-UHFFFAOYSA-N 1 0 219.288 2.077 10 0 BEAERO NC(=[NH2+])c1cc(Oc2ccccc2F)ccn1 ZINC000061814449 181193682 /nfs/dbraw/zinc/19/36/82/181193682.db2.gz HNQWOGQSYVXJLU-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO NC(=[NH2+])c1c(Cl)cccc1NC1CC1 ZINC000052906322 181192811 /nfs/dbraw/zinc/19/28/11/181192811.db2.gz QEXFEKHVMMXLLT-UHFFFAOYSA-N 1 0 209.680 2.198 10 0 BEAERO NC(=[NH2+])c1ccc(Oc2cccc(F)c2)nc1 ZINC000019437288 181195268 /nfs/dbraw/zinc/19/52/68/181195268.db2.gz LKGLZHGERDEFOC-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO NC(=[NH2+])c1cccnc1Oc1cccc(F)c1 ZINC000019511732 181196322 /nfs/dbraw/zinc/19/63/22/181196322.db2.gz BTJQTUPLFUYVIU-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO NC(=[NH2+])c1cccc(OC2CCCCC2)n1 ZINC000071186723 181195881 /nfs/dbraw/zinc/19/58/81/181195881.db2.gz BOTLEPWJURLFGF-UHFFFAOYSA-N 1 0 219.288 2.077 10 0 BEAERO [NH2+]=C(NC[C@@H]1CCCCO1)NC1CCCCC1 ZINC000052048047 181198810 /nfs/dbraw/zinc/19/88/10/181198810.db2.gz FEOQNILQOCVRCV-LBPRGKRZSA-N 1 0 239.363 2.002 10 0 BEAERO NC(=[NH2+])c1cccc(CSc2ccncn2)c1 ZINC000104193106 181196601 /nfs/dbraw/zinc/19/66/01/181196601.db2.gz ISZQCBUQOBTEBD-UHFFFAOYSA-N 1 0 244.323 2.053 10 0 BEAERO C[C@@H](C[NH3+])Sc1ccc(N)cc1Cl ZINC000160244363 355581623 /nfs/dbraw/zinc/58/16/23/355581623.db2.gz LSNVYKDAIGEWOP-LURJTMIESA-N 1 0 216.737 2.362 10 0 BEAERO CS[C@H]1CCCCN(CC[NH2+]C(C)C)C1 ZINC000191590162 355737166 /nfs/dbraw/zinc/73/71/66/355737166.db2.gz MXTJQDVITBPUMR-LBPRGKRZSA-N 1 0 230.421 2.202 10 0 BEAERO Cc1ccc([C@@H](O)[C@@H](C)[NH3+])c(Br)c1 ZINC000129658554 355817191 /nfs/dbraw/zinc/81/71/91/355817191.db2.gz IGGXECALINLYLP-XCBNKYQSSA-N 1 0 244.132 2.138 10 0 BEAERO CC(C)(C)OC(=O)C[C@@H](C[NH3+])C1CCCC1 ZINC000584883428 355835183 /nfs/dbraw/zinc/83/51/83/355835183.db2.gz ZIIXDHVPLJFDTQ-NSHDSACASA-N 1 0 227.348 2.483 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCN(CC)C2)o1 ZINC000389197265 355838114 /nfs/dbraw/zinc/83/81/14/355838114.db2.gz XOXVPMPXOIBMCD-LLVKDONJSA-N 1 0 222.332 2.026 10 0 BEAERO CC(C)c1ccc([C@H](C)[NH2+]CCC(N)=O)cc1 ZINC000035133417 355844290 /nfs/dbraw/zinc/84/42/90/355844290.db2.gz BXVVUIPQFSKTLA-NSHDSACASA-N 1 0 234.343 2.336 10 0 BEAERO [NH3+][C@H](CC1CCSCC1)C1=CCCO1 ZINC000168478042 355849661 /nfs/dbraw/zinc/84/96/61/355849661.db2.gz LSTWKVHOTRFPHD-SNVBAGLBSA-N 1 0 213.346 2.151 10 0 BEAERO Cc1ccc(N[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000399241602 355869283 /nfs/dbraw/zinc/86/92/83/355869283.db2.gz ULISWARYDNQBCZ-MNOVXSKESA-N 1 0 249.314 2.456 10 0 BEAERO NC(=O)C1([NH2+]Cc2ccccc2)CCCCCC1 ZINC000037941266 181215860 /nfs/dbraw/zinc/21/58/60/181215860.db2.gz AXKDPLMPPJIYOP-UHFFFAOYSA-N 1 0 246.354 2.355 10 0 BEAERO C[C@@H]1CC[C@]2(CC[N@H+](CC3(O)CCC3)C2)C1 ZINC000336034216 134059101 /nfs/dbraw/zinc/05/91/01/134059101.db2.gz HTKAJSBWXOEPRX-OLZOCXBDSA-N 1 0 223.360 2.414 10 0 BEAERO C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000399260177 355874308 /nfs/dbraw/zinc/87/43/08/355874308.db2.gz PJNKEPQGVRJQGP-ONGXEEELSA-N 1 0 235.287 2.147 10 0 BEAERO CSC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000300363802 355874314 /nfs/dbraw/zinc/87/43/14/355874314.db2.gz FYAFLHMTXFCZTF-GMTAPVOTSA-N 1 0 241.400 2.285 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000300208633 358499615 /nfs/dbraw/zinc/49/96/15/358499615.db2.gz CWHWUULYUCFIPA-GARJFASQSA-N 1 0 242.363 2.288 10 0 BEAERO NC(=O)CCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC000072266108 181219663 /nfs/dbraw/zinc/21/96/63/181219663.db2.gz YOSWRUPQUUGBRJ-UHFFFAOYSA-N 1 0 244.338 2.084 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]([C@H]2CCSC2)SC1 ZINC000300209112 358499762 /nfs/dbraw/zinc/49/97/62/358499762.db2.gz FVLHYXLDYYZLQJ-HRDYMLBCSA-N 1 0 203.376 2.038 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000192314392 355978919 /nfs/dbraw/zinc/97/89/19/355978919.db2.gz KIYNDZKXPIROGP-KGLIPLIRSA-N 1 0 217.312 2.201 10 0 BEAERO C[C@H](C(=O)Nc1cccc2c1C[NH2+]CC2)C1CC1 ZINC000167366169 355985852 /nfs/dbraw/zinc/98/58/52/355985852.db2.gz UYIBSVIKURSUPW-JTQLQIEISA-N 1 0 244.338 2.317 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ccc(C(F)(F)F)nn1 ZINC000167165806 355962000 /nfs/dbraw/zinc/96/20/00/355962000.db2.gz QCKZBVBMVRBFNH-ZETCQYMHSA-N 1 0 248.252 2.035 10 0 BEAERO CC[N@@H+]1CC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000389341856 355972771 /nfs/dbraw/zinc/97/27/71/355972771.db2.gz JITWQALHNXAEGF-LLVKDONJSA-N 1 0 242.326 2.136 10 0 BEAERO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000389345595 355973193 /nfs/dbraw/zinc/97/31/93/355973193.db2.gz UJLWNMJACLXTDC-UTUOFQBUSA-N 1 0 213.365 2.419 10 0 BEAERO CC1=C(C)C[N@@H+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000336088885 134077403 /nfs/dbraw/zinc/07/74/03/134077403.db2.gz OJVMNQYTGGEMCR-OLZOCXBDSA-N 1 0 209.333 2.332 10 0 BEAERO CC[C@@H]([NH2+]Cc1cn(C)nc1C)C(C)C ZINC000148920292 356285582 /nfs/dbraw/zinc/28/55/82/356285582.db2.gz JHOBHKQGOOQQDF-GFCCVEGCSA-N 1 0 209.337 2.253 10 0 BEAERO CCCCN(C)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000126589781 168761969 /nfs/dbraw/zinc/76/19/69/168761969.db2.gz BKQLFPARLBSANY-LBPRGKRZSA-N 1 0 243.395 2.158 10 0 BEAERO C[C@]([NH3+])(C(=O)c1ccccc1F)C1CC1 ZINC000168567079 356422275 /nfs/dbraw/zinc/42/22/75/356422275.db2.gz GVDJDAUDLQNDHN-GFCCVEGCSA-N 1 0 207.248 2.136 10 0 BEAERO C[C@@H](C[NH3+])Oc1ccc(F)c(Br)c1 ZINC000137529845 356460972 /nfs/dbraw/zinc/46/09/72/356460972.db2.gz OPAIMYOIJHSCSV-LURJTMIESA-N 1 0 248.095 2.314 10 0 BEAERO C[C@@H]1CC[C@@]2(CC[N@H+](CCC3(O)CC3)C2)C1 ZINC000336171425 134115288 /nfs/dbraw/zinc/11/52/88/134115288.db2.gz CQTWKGQLSVZRAD-CHWSQXEVSA-N 1 0 223.360 2.414 10 0 BEAERO C[C@H]([NH3+])CN1CCCC[C@H]1c1nccs1 ZINC000336171829 134115469 /nfs/dbraw/zinc/11/54/69/134115469.db2.gz YEKXLJXSIDYUDW-UWVGGRQHSA-N 1 0 225.361 2.017 10 0 BEAERO C[C@@H]1C[C@H](C[NH+]2CC(C(F)(F)F)C2)CCO1 ZINC000336188919 134122367 /nfs/dbraw/zinc/12/23/67/134122367.db2.gz LOEKFGGFBOOCCH-RKDXNWHRSA-N 1 0 237.265 2.296 10 0 BEAERO CCC[NH2+]Cc1nc(CN2CCCC2)cs1 ZINC000052377259 538470455 /nfs/dbraw/zinc/47/04/55/538470455.db2.gz MPYBSCCTJOPODH-UHFFFAOYSA-N 1 0 239.388 2.239 10 0 BEAERO C[C@@H](CO)[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675057523 538479640 /nfs/dbraw/zinc/47/96/40/538479640.db2.gz DRLJQFLYFWQSAG-SUKXCGAGSA-N 1 0 237.387 2.418 10 0 BEAERO Nc1cc(Cl)cc(F)c1C[NH2+]C1CC1 ZINC000675051666 538475410 /nfs/dbraw/zinc/47/54/10/538475410.db2.gz XBDCSNBDXXWHGV-UHFFFAOYSA-N 1 0 214.671 2.313 10 0 BEAERO CCN1CC[C@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000675055620 538475941 /nfs/dbraw/zinc/47/59/41/538475941.db2.gz VXVXVWJHMVNECP-STQMWFEESA-N 1 0 222.307 2.310 10 0 BEAERO Cc1cc(NC2CCC(O)CC2)cc[nH+]1 ZINC000167618366 134152566 /nfs/dbraw/zinc/15/25/66/134152566.db2.gz JCFROWWXNREEMU-UHFFFAOYSA-N 1 0 206.289 2.105 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])c1nnc(C(C)(C)C)[nH]1 ZINC000675061022 538487375 /nfs/dbraw/zinc/48/73/75/538487375.db2.gz WFHVNYOCBMJLJC-HTQZYQBOSA-N 1 0 210.325 2.148 10 0 BEAERO Cc1cn2c(n1)[C@@H](CC1CC1)[NH2+]CCC2 ZINC000675067365 538493377 /nfs/dbraw/zinc/49/33/77/538493377.db2.gz BDQIKWLFXXGSQO-LLVKDONJSA-N 1 0 205.305 2.026 10 0 BEAERO CCc1cn2c(n1)[C@@H](CC(F)F)[NH2+]CCC2 ZINC000675067654 538495340 /nfs/dbraw/zinc/49/53/40/538495340.db2.gz GKVOFGMUDGTBIH-SECBINFHSA-N 1 0 229.274 2.135 10 0 BEAERO CCCc1cn2c(n1)[C@H](CCF)[NH2+]CCC2 ZINC000675068737 538496784 /nfs/dbraw/zinc/49/67/84/538496784.db2.gz SEWIINJKSDECFP-NSHDSACASA-N 1 0 225.311 2.230 10 0 BEAERO CCCc1cn2c(n1)[C@H](CSC)[NH2+]CCC2 ZINC000675069753 538498990 /nfs/dbraw/zinc/49/89/90/538498990.db2.gz XVBZZGPHRVBZGU-NSHDSACASA-N 1 0 239.388 2.233 10 0 BEAERO COC(=O)[C@H](C[NH3+])[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000675072436 538503709 /nfs/dbraw/zinc/50/37/09/538503709.db2.gz CHRPOSXEYGVLLH-HBNTYKKESA-N 1 0 227.348 2.197 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C(C)C ZINC000167766599 134153975 /nfs/dbraw/zinc/15/39/75/134153975.db2.gz LQVXGMSKJZTRLH-WDEREUQCSA-N 1 0 236.363 2.310 10 0 BEAERO CC(C)C(=O)NCCCC1([NH3+])CCCCC1 ZINC000675074553 538507546 /nfs/dbraw/zinc/50/75/46/538507546.db2.gz ZSHNNIVOOXNCMQ-UHFFFAOYSA-N 1 0 226.364 2.200 10 0 BEAERO CCC[N@H+](C)CCOc1cncc(Cl)c1 ZINC000675076303 538511615 /nfs/dbraw/zinc/51/16/15/538511615.db2.gz NKBGGRXRUISHQH-UHFFFAOYSA-N 1 0 228.723 2.456 10 0 BEAERO C[C@H](CC1CC1)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000167996742 134155296 /nfs/dbraw/zinc/15/52/96/134155296.db2.gz QFLONRVMGKDWJY-RTXFEEFZSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H](C[NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000083564252 538513843 /nfs/dbraw/zinc/51/38/43/538513843.db2.gz GGKGFHDQMAGMOJ-RCOVLWMOSA-N 1 0 219.737 2.420 10 0 BEAERO Fc1cc2[nH]c3c(c2cc1F)CC[NH2+]C3 ZINC000675080106 538519251 /nfs/dbraw/zinc/51/92/51/538519251.db2.gz MCCDNQHNKAMVDR-UHFFFAOYSA-N 1 0 208.211 2.092 10 0 BEAERO CCC[C@H](C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675080905 538521171 /nfs/dbraw/zinc/52/11/71/538521171.db2.gz XUGZTXKKICQJRW-BPNCWPANSA-N 1 0 246.354 2.164 10 0 BEAERO CC(C)(C[NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000084401788 538532706 /nfs/dbraw/zinc/53/27/06/538532706.db2.gz DHQQPYYRJPOUDN-QMMMGPOBSA-N 1 0 219.737 2.420 10 0 BEAERO CC(C)(C[NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000084401787 538532812 /nfs/dbraw/zinc/53/28/12/538532812.db2.gz DHQQPYYRJPOUDN-MRVPVSSYSA-N 1 0 219.737 2.420 10 0 BEAERO CCCCC[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000220260929 538539649 /nfs/dbraw/zinc/53/96/49/538539649.db2.gz HDEXBTXJUJQTSS-SNVBAGLBSA-N 1 0 207.321 2.187 10 0 BEAERO CC(C)(C[NH3+])[C@H](O)c1cc(Cl)cs1 ZINC000086335031 538553784 /nfs/dbraw/zinc/55/37/84/538553784.db2.gz OMTFJHPBUWBUOV-MRVPVSSYSA-N 1 0 219.737 2.420 10 0 BEAERO CC[C@@H](C[NH3+])[C@H](O)c1cc(Cl)cs1 ZINC000086334993 538554065 /nfs/dbraw/zinc/55/40/65/538554065.db2.gz QQWWIMBJMCLNSQ-RCOVLWMOSA-N 1 0 219.737 2.420 10 0 BEAERO Cc1ccc(C(=O)C[C@H]2CCCC[NH2+]2)o1 ZINC000086499672 538556319 /nfs/dbraw/zinc/55/63/19/538556319.db2.gz TYZLWSLXTSPIDE-SNVBAGLBSA-N 1 0 207.273 2.303 10 0 BEAERO C[NH2+][C@@H]1COc2c1c(F)ccc2Br ZINC000160403844 356706061 /nfs/dbraw/zinc/70/60/61/356706061.db2.gz WJKCOVAMBNGJQD-SSDOTTSWSA-N 1 0 246.079 2.241 10 0 BEAERO CC(C)(C)OC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084300802 538528401 /nfs/dbraw/zinc/52/84/01/538528401.db2.gz QKPRNENUGIJRRL-UWVGGRQHSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@H](C[NH3+])[C@H](O)c1sccc1Cl ZINC000087723032 538569095 /nfs/dbraw/zinc/56/90/95/538569095.db2.gz HOUQGLFQWYXLRK-VDTYLAMSSA-N 1 0 205.710 2.030 10 0 BEAERO CC[C@@H]([NH3+])CNc1nccc2ccccc21 ZINC000160236227 356727723 /nfs/dbraw/zinc/72/77/23/356727723.db2.gz HKFDLUFMIQEBRS-LLVKDONJSA-N 1 0 215.300 2.384 10 0 BEAERO C[C@@H]1CCC[C@@H](CC(=O)c2nccs2)[NH2+]1 ZINC000130357008 538588343 /nfs/dbraw/zinc/58/83/43/538588343.db2.gz UJQYTZTWDNKORB-BDAKNGLRSA-N 1 0 224.329 2.247 10 0 BEAERO C[C@H]1CCC[C@H](CC(=O)C(F)(F)F)[NH2+]1 ZINC000130344907 538588495 /nfs/dbraw/zinc/58/84/95/538588495.db2.gz SDAGMUBYCAHXRH-NKWVEPMBSA-N 1 0 209.211 2.039 10 0 BEAERO C[C@H]1CC[NH2+][C@@H](CC(=O)c2cscn2)C1 ZINC000130388799 538589333 /nfs/dbraw/zinc/58/93/33/538589333.db2.gz CUTUVDHCOYEWPG-DTWKUNHWSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@H]1CCC[C@@H](CC(=O)c2cscn2)[NH2+]1 ZINC000130390632 538590247 /nfs/dbraw/zinc/59/02/47/538590247.db2.gz KBLISXNUOGQLDC-IUCAKERBSA-N 1 0 224.329 2.247 10 0 BEAERO Cc1cccc(C(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000093487489 538600596 /nfs/dbraw/zinc/60/05/96/538600596.db2.gz OUDPWCPKVCLBQR-LBPRGKRZSA-N 1 0 203.285 2.320 10 0 BEAERO COCc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000088568068 356740799 /nfs/dbraw/zinc/74/07/99/356740799.db2.gz YCSYIEHYKQDGJN-HNNXBMFYSA-N 1 0 249.354 2.492 10 0 BEAERO CCC[C@H](C)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000180086271 366373397 /nfs/dbraw/zinc/37/33/97/366373397.db2.gz LANBPBHNSJPDPC-UONOGXRCSA-N 1 0 242.407 2.075 10 0 BEAERO CO[C@@H](C[NH3+])c1cc(F)cc(Cl)c1 ZINC000168345146 356896769 /nfs/dbraw/zinc/89/67/69/356896769.db2.gz ARRJYTUTWSUNKA-VIFPVBQESA-N 1 0 203.644 2.125 10 0 BEAERO CN(CC[NH2+]Cc1ccccc1)CC1CC1 ZINC000053389069 356956339 /nfs/dbraw/zinc/95/63/39/356956339.db2.gz DJMIDCCRRUFFEE-UHFFFAOYSA-N 1 0 218.344 2.118 10 0 BEAERO COc1ccc2c(c1F)CSC[C@H]2[NH3+] ZINC000160548227 357050455 /nfs/dbraw/zinc/05/04/55/357050455.db2.gz HJUIYMJDHJILPI-MRVPVSSYSA-N 1 0 213.277 2.081 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncnc2sccc21 ZINC000389702138 357017124 /nfs/dbraw/zinc/01/71/24/357017124.db2.gz JXJZSZQRHXRDHV-WCBMZHEXSA-N 1 0 248.355 2.101 10 0 BEAERO [NH3+]C[C@@](O)(C1CCCCCC1)C(F)(F)F ZINC000258969803 538802903 /nfs/dbraw/zinc/80/29/03/538802903.db2.gz UOYZADVKYDKRQB-SECBINFHSA-N 1 0 225.254 2.209 10 0 BEAERO C[C@H]1CC(C[NH2+][C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000582431918 357147556 /nfs/dbraw/zinc/14/75/56/357147556.db2.gz VGYKGTWMBVFHTQ-CDGCEXEKSA-N 1 0 241.375 2.083 10 0 BEAERO C[NH2+][C@H](C)[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000300030261 357173851 /nfs/dbraw/zinc/17/38/51/357173851.db2.gz QQPZWAMZZPFHDR-BGZDPUMWSA-N 1 0 205.392 2.220 10 0 BEAERO C1CC1NC1=[NH+]CC2(CCCC2)CS1 ZINC000168720088 357195263 /nfs/dbraw/zinc/19/52/63/357195263.db2.gz LPYWRNQSUMAXEC-UHFFFAOYSA-N 1 0 210.346 2.402 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccnc1C ZINC000123443204 357226939 /nfs/dbraw/zinc/22/69/39/357226939.db2.gz AAGNXMJQBLQPMJ-HNNXBMFYSA-N 1 0 247.386 2.306 10 0 BEAERO CC1(C)C[NH2+]C[C@H](c2ccsc2)OC1 ZINC000168778891 357229420 /nfs/dbraw/zinc/22/94/20/357229420.db2.gz PTNYCYMXDBZMCG-SNVBAGLBSA-N 1 0 211.330 2.435 10 0 BEAERO CC1(C)C[NH2+]C[C@@H](c2cccs2)OC1 ZINC000168780016 357229762 /nfs/dbraw/zinc/22/97/62/357229762.db2.gz UBWMGWHIMYKCGJ-VIFPVBQESA-N 1 0 211.330 2.435 10 0 BEAERO CC1(C)C[NH2+]C[C@@H](c2ccsc2)OC1 ZINC000168778988 357229929 /nfs/dbraw/zinc/22/99/29/357229929.db2.gz PTNYCYMXDBZMCG-JTQLQIEISA-N 1 0 211.330 2.435 10 0 BEAERO Cc1ccsc1[C@]1(O)CCC[NH2+]CC1 ZINC000160707425 357183139 /nfs/dbraw/zinc/18/31/39/357183139.db2.gz GIXUAEJRZNWTGA-NSHDSACASA-N 1 0 211.330 2.018 10 0 BEAERO CC[C@@H](C[NH2+][C@@H]1C[C@H]1CO)c1ccccc1 ZINC000393487424 357284613 /nfs/dbraw/zinc/28/46/13/357284613.db2.gz LVGQVLJUDNDKQE-FPMFFAJLSA-N 1 0 219.328 2.151 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1(F)CC1 ZINC000393614298 357289983 /nfs/dbraw/zinc/28/99/83/357289983.db2.gz USBLVIZODVFIPE-MNOVXSKESA-N 1 0 215.312 2.139 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc2ccccc2n1C ZINC000320978633 357275525 /nfs/dbraw/zinc/27/55/25/357275525.db2.gz XJSVNWWTSHDEPH-NXEZZACHSA-N 1 0 232.331 2.111 10 0 BEAERO [NH3+][C@H]1c2cc(Cl)cc(Cl)c2CC[C@H]1O ZINC000039941470 491110708 /nfs/dbraw/zinc/11/07/08/491110708.db2.gz IKXGQSRJGUAIKS-ZJUUUORDSA-N 1 0 232.110 2.300 10 0 BEAERO F[C@]1(Cc2nccs2)CCC[NH2+]CC1 ZINC000160724987 357513585 /nfs/dbraw/zinc/51/35/85/357513585.db2.gz GIZYQXPHBYEDCD-SNVBAGLBSA-N 1 0 214.309 2.167 10 0 BEAERO CC/C=C\CC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000588477417 538851574 /nfs/dbraw/zinc/85/15/74/538851574.db2.gz IDLWABNPMMAYDN-DSYXLKISSA-N 1 0 224.348 2.073 10 0 BEAERO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)O1 ZINC000188541510 357559199 /nfs/dbraw/zinc/55/91/99/357559199.db2.gz OLIOHSDDAJFBGD-MQYQWHSLSA-N 1 0 239.359 2.197 10 0 BEAERO Cc1cnc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000231525301 357609302 /nfs/dbraw/zinc/60/93/02/357609302.db2.gz RVADKEMFZHADDY-RWMBFGLXSA-N 1 0 249.358 2.260 10 0 BEAERO O=C(C[C@@H]1CCCCC[NH2+]1)c1cscn1 ZINC000229142978 538881392 /nfs/dbraw/zinc/88/13/92/538881392.db2.gz RMOBNTMAAJTBIH-VIFPVBQESA-N 1 0 224.329 2.248 10 0 BEAERO CC(C)CCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000231480850 357615835 /nfs/dbraw/zinc/61/58/35/357615835.db2.gz SVOMWYUVQREQIB-LBPRGKRZSA-N 1 0 226.364 2.023 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(OC)nc1 ZINC000232156051 357653026 /nfs/dbraw/zinc/65/30/26/357653026.db2.gz QCUCRJCDXRSCMU-RYUDHWBXSA-N 1 0 220.316 2.368 10 0 BEAERO CC(C)(C)OC(=O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685947297 538889163 /nfs/dbraw/zinc/88/91/63/538889163.db2.gz LMSXUNBNURUDIR-GXFFZTMASA-N 1 0 225.332 2.250 10 0 BEAERO CCCC[N@H+](CCO)[C@@H]1CC[C@H]2CC[C@H]21 ZINC000685948656 538891157 /nfs/dbraw/zinc/89/11/57/538891157.db2.gz SITQTDWGSWYYCN-JHJVBQTASA-N 1 0 211.349 2.269 10 0 BEAERO CCC1(C)CC[NH+]([C@@H]2CCNC[C@H]2F)CC1 ZINC000685948677 538891376 /nfs/dbraw/zinc/89/13/76/538891376.db2.gz SVDTUHWELQOJEN-VXGBXAGGSA-N 1 0 228.355 2.199 10 0 BEAERO CC(C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000685949164 538892389 /nfs/dbraw/zinc/89/23/89/538892389.db2.gz LAOUMVOZAORWEZ-UHFFFAOYSA-N 1 0 220.316 2.475 10 0 BEAERO c1cc([C@@H]2CC[NH2+]C2)ccc1[C@H]1CCO1 ZINC000685950021 538893639 /nfs/dbraw/zinc/89/36/39/538893639.db2.gz FBVDMOMEDANRKE-CHWSQXEVSA-N 1 0 203.285 2.225 10 0 BEAERO [NH3+][C@@H]1C[C@]12CC=C(c1cccnc1)CC2 ZINC000685950628 538893913 /nfs/dbraw/zinc/89/39/13/538893913.db2.gz VDOBYMQAMCVSKD-CHWSQXEVSA-N 1 0 200.285 2.366 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+]CCC(C)C ZINC000190785757 357731020 /nfs/dbraw/zinc/73/10/20/357731020.db2.gz ZEVHOEUKGVIAMB-LLVKDONJSA-N 1 0 236.363 2.311 10 0 BEAERO CN1CCC[N@H+](CC2CCCCCC2)CC1=O ZINC000191105068 357750885 /nfs/dbraw/zinc/75/08/85/357750885.db2.gz WSRRXRWSTNTYHK-UHFFFAOYSA-N 1 0 238.375 2.121 10 0 BEAERO Cc1ccccc1[C@@H](C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191104331 357750983 /nfs/dbraw/zinc/75/09/83/357750983.db2.gz JKONWBIXHACHJY-CYBMUJFWSA-N 1 0 246.354 2.220 10 0 BEAERO OCC[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191680185 357783098 /nfs/dbraw/zinc/78/30/98/357783098.db2.gz MEZPKNCZRYXYMD-SNVBAGLBSA-N 1 0 241.281 2.137 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@H](Nc2ccccc2)C1 ZINC000191568399 357785367 /nfs/dbraw/zinc/78/53/67/357785367.db2.gz CSRLTBASIBZPKF-HNNXBMFYSA-N 1 0 247.386 2.171 10 0 BEAERO C[C@H](O)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000192803693 357855737 /nfs/dbraw/zinc/85/57/37/357855737.db2.gz SQRQMSWIGDHHPZ-NSHDSACASA-N 1 0 235.302 2.296 10 0 BEAERO Cc1c[nH+]ccc1N1CC[C@H](c2cnn(C)c2)C1 ZINC000192602039 357845785 /nfs/dbraw/zinc/84/57/85/357845785.db2.gz CPGHOOVAYOQKAI-LBPRGKRZSA-N 1 0 242.326 2.117 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CC(C)C)C1CC1 ZINC000193249117 357871010 /nfs/dbraw/zinc/87/10/10/357871010.db2.gz OSWJJGQVRVITFV-AWEZNQCLSA-N 1 0 243.391 2.284 10 0 BEAERO CC[C@@]1(C)CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000399442706 357890247 /nfs/dbraw/zinc/89/02/47/357890247.db2.gz USRSHGJUBFVLFH-OCCSQVGLSA-N 1 0 238.375 2.025 10 0 BEAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](C)O)C2)cc1 ZINC000192984613 357863530 /nfs/dbraw/zinc/86/35/30/357863530.db2.gz ZAVOOUUZDMYYEF-OUCADQQQSA-N 1 0 249.354 2.254 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C1(CC)CCCC1 ZINC000382609760 357922069 /nfs/dbraw/zinc/92/20/69/357922069.db2.gz YLWBUGAGMVABEH-ZDUSSCGKSA-N 1 0 243.391 2.476 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000639937913 357940238 /nfs/dbraw/zinc/94/02/38/357940238.db2.gz GJEVDLJFSKJTLK-OUAUKWLOSA-N 1 0 233.302 2.267 10 0 BEAERO Cc1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000584457369 357974071 /nfs/dbraw/zinc/97/40/71/357974071.db2.gz RDYMRTLKXDPAKL-NWDGAFQWSA-N 1 0 219.332 2.190 10 0 BEAERO CS[C@H](C)CNc1cc(N)c(C)c[nH+]1 ZINC000169037996 358013870 /nfs/dbraw/zinc/01/38/70/358013870.db2.gz KMRORICFFRNFTA-MRVPVSSYSA-N 1 0 211.334 2.136 10 0 BEAERO CS[C@@H](C)CNc1cc(N)c(C)c[nH+]1 ZINC000169038074 358014130 /nfs/dbraw/zinc/01/41/30/358014130.db2.gz KMRORICFFRNFTA-QMMMGPOBSA-N 1 0 211.334 2.136 10 0 BEAERO NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037262068 358060267 /nfs/dbraw/zinc/06/02/67/358060267.db2.gz XGQLYAGSNGMFKB-KGLIPLIRSA-N 1 0 246.354 2.178 10 0 BEAERO CC(C)(C)NC(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000103466486 358061341 /nfs/dbraw/zinc/06/13/41/358061341.db2.gz LKXHAZPCVKGHSA-UHFFFAOYSA-N 1 0 238.375 2.308 10 0 BEAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000392858730 259477420 /nfs/dbraw/zinc/47/74/20/259477420.db2.gz IFLNAGSXFXHWTM-DGCLKSJQSA-N 1 0 236.359 2.134 10 0 BEAERO Cc1ccc(C)c2c1OC[C@@H]([C@H](C)[NH+](C)C)O2 ZINC000584615053 358279488 /nfs/dbraw/zinc/27/94/88/358279488.db2.gz IOCBSRRBFCLPNI-RYUDHWBXSA-N 1 0 235.327 2.393 10 0 BEAERO Cc1ccc(C(=[NH2+])NO)cc1C(F)(F)F ZINC000584594937 358252065 /nfs/dbraw/zinc/25/20/65/358252065.db2.gz GBMADKDKADCLLD-UHFFFAOYSA-N 1 0 218.178 2.318 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1Cc1cnc2ccccc2n1 ZINC000584601459 358258846 /nfs/dbraw/zinc/25/88/46/358258846.db2.gz UNFMCJAJJNKPFW-ZYHUDNBSSA-N 1 0 227.311 2.300 10 0 BEAERO CCCC(=S)OC1CC[NH+](C)CC1 ZINC000584610352 358273267 /nfs/dbraw/zinc/27/32/67/358273267.db2.gz CIFUCTJCPWRWJB-UHFFFAOYSA-N 1 0 201.335 2.225 10 0 BEAERO C[C@H]1c2c(O)cccc2CC[C@H]1[NH+](C)C ZINC000584620403 358287220 /nfs/dbraw/zinc/28/72/20/358287220.db2.gz MKEBCFFTBPSDDS-MWLCHTKSSA-N 1 0 205.301 2.372 10 0 BEAERO c1cc2c(cc1C1CC1)CCN1CC[NH2+]C[C@@H]21 ZINC000584625710 358294986 /nfs/dbraw/zinc/29/49/86/358294986.db2.gz QECRIJBGQOFJPN-HNNXBMFYSA-N 1 0 228.339 2.066 10 0 BEAERO CC[NH+](CC)C[C@H](O)c1cnc2ccccc2n1 ZINC000584630427 358300131 /nfs/dbraw/zinc/30/01/31/358300131.db2.gz XWHNXGATVHXQDL-AWEZNQCLSA-N 1 0 245.326 2.005 10 0 BEAERO C[C@H](O)c1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C ZINC000584650768 358301781 /nfs/dbraw/zinc/30/17/81/358301781.db2.gz MKSOESVDRVQKQV-VQISRLSMSA-N 1 0 246.354 2.109 10 0 BEAERO c1nn2c(c1C1CCCCC1)C[NH2+]CC2 ZINC000584648410 358302670 /nfs/dbraw/zinc/30/26/70/358302670.db2.gz IWDFRTYTWJMRSF-UHFFFAOYSA-N 1 0 205.305 2.034 10 0 BEAERO C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C(C)(C)O)C1 ZINC000584631850 358314047 /nfs/dbraw/zinc/31/40/47/358314047.db2.gz XTYSTHQAXZQYJX-KBPBESRZSA-N 1 0 233.355 2.493 10 0 BEAERO C[N@@H+]1CCC[C@H]([C@@H](O)c2ccccc2)C1 ZINC000584631655 358314081 /nfs/dbraw/zinc/31/40/81/358314081.db2.gz ICUIFJSALYQOQF-STQMWFEESA-N 1 0 205.301 2.062 10 0 BEAERO CN1C(=O)[C@]2(C)CCCCN2[C@H]1C(C)(C)C ZINC000584655562 358308459 /nfs/dbraw/zinc/30/84/59/358308459.db2.gz ZDFAUFPGGXMWHY-GWCFXTLKSA-N 1 0 224.348 2.075 10 0 BEAERO OC[C@@H]1CCC2=C(C1)C1=CC(F)=CC[C@@H]1[NH2+]2 ZINC000584617298 358282174 /nfs/dbraw/zinc/28/21/74/358282174.db2.gz UZXPGPSYBMMTAY-OQPBUACISA-N 1 0 221.275 2.188 10 0 BEAERO OC[C@@H]1CCC2=C(C1)C1=CC(F)=CC[C@H]1[NH2+]2 ZINC000584617296 358282359 /nfs/dbraw/zinc/28/23/59/358282359.db2.gz UZXPGPSYBMMTAY-AMIZOPFISA-N 1 0 221.275 2.188 10 0 BEAERO Nc1[nH]c(-c2ccc(C(F)F)cc2)c[nH+]1 ZINC000584644541 358329109 /nfs/dbraw/zinc/32/91/09/358329109.db2.gz ZQDBZGAWDCLLRR-UHFFFAOYSA-N 1 0 209.199 2.427 10 0 BEAERO Cc1[nH]c(N)[nH+]c1-c1cccc(F)c1F ZINC000584644524 358329460 /nfs/dbraw/zinc/32/94/60/358329460.db2.gz XPQFGDZWHLLMBB-UHFFFAOYSA-N 1 0 209.199 2.076 10 0 BEAERO CC[C@]1(O)C[N@H+](C)CC[C@@H]1c1ccccc1 ZINC000584633509 358317104 /nfs/dbraw/zinc/31/71/04/358317104.db2.gz ORUSCBHIBCGXDB-KGLIPLIRSA-N 1 0 219.328 2.247 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000226228535 358335935 /nfs/dbraw/zinc/33/59/35/358335935.db2.gz SGJAFQRGQIADTL-LJISPDSOSA-N 1 0 231.339 2.436 10 0 BEAERO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2O)CCCS1 ZINC000226234498 358336166 /nfs/dbraw/zinc/33/61/66/358336166.db2.gz SJJGCKCKIZZEFR-IJLUTSLNSA-N 1 0 229.389 2.165 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2ccsc2C)C1 ZINC000389167590 358368192 /nfs/dbraw/zinc/36/81/92/358368192.db2.gz MWVIJVUITHNPDZ-GFCCVEGCSA-N 1 0 224.373 2.240 10 0 BEAERO C[C@@H](N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000227458893 358357722 /nfs/dbraw/zinc/35/77/22/358357722.db2.gz SDTSKEUVSFDTED-IJLUTSLNSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@H](N(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC000227804174 358363635 /nfs/dbraw/zinc/36/36/35/358363635.db2.gz MBCSAIRGXAMVEJ-HBNTYKKESA-N 1 0 226.364 2.007 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)C1CCCCC1 ZINC000392931354 259480056 /nfs/dbraw/zinc/48/00/56/259480056.db2.gz KORGKMYCPOYDEY-GMXVVIOVSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000230673384 358409015 /nfs/dbraw/zinc/40/90/15/358409015.db2.gz CVLUYBDVDQZINS-FDYHWXHSSA-N 1 0 211.349 2.316 10 0 BEAERO c1ccc2c(c1)ncnc2NCC1CC[NH2+]CC1 ZINC000044509211 358388932 /nfs/dbraw/zinc/38/89/32/358388932.db2.gz SGWQMRFBPQYJHX-UHFFFAOYSA-N 1 0 242.326 2.041 10 0 BEAERO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000230418786 358399168 /nfs/dbraw/zinc/39/91/68/358399168.db2.gz RGTRECMDUAXLKO-FDYHWXHSSA-N 1 0 211.349 2.316 10 0 BEAERO CCc1nc(C)cc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000310274528 358443651 /nfs/dbraw/zinc/44/36/51/358443651.db2.gz SIBDMKDIEPDAHX-LLVKDONJSA-N 1 0 236.363 2.133 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C=C(C)C ZINC000174999717 134283813 /nfs/dbraw/zinc/28/38/13/134283813.db2.gz WLQJALPGOGLSIP-CHWSQXEVSA-N 1 0 236.359 2.038 10 0 BEAERO COc1cc([C@H](C)[NH2+]C[C@H](C)CO)ccc1F ZINC000212707659 358620394 /nfs/dbraw/zinc/62/03/94/358620394.db2.gz UDOUJCMGVHDHNU-UWVGGRQHSA-N 1 0 241.306 2.113 10 0 BEAERO COc1cc([C@H](C)[NH2+]CC[C@H](C)O)ccc1F ZINC000212793420 358622214 /nfs/dbraw/zinc/62/22/14/358622214.db2.gz JBWPAYCQTSDOLQ-UWVGGRQHSA-N 1 0 241.306 2.256 10 0 BEAERO CO[C@H](C)[C@@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000130457607 358626787 /nfs/dbraw/zinc/62/67/87/358626787.db2.gz RBMZQQWPQHKDCD-GMTAPVOTSA-N 1 0 243.372 2.103 10 0 BEAERO CCc1nc(CC[NH2+][C@@H](C)[C@@H](C)CC)no1 ZINC000129289475 358585308 /nfs/dbraw/zinc/58/53/08/358585308.db2.gz DNWDEPHGZUFWIA-UWVGGRQHSA-N 1 0 225.336 2.199 10 0 BEAERO C[C@H]([NH2+]CC1(CCO)CCC1)c1ccco1 ZINC000130987893 358655588 /nfs/dbraw/zinc/65/55/88/358655588.db2.gz IZZGGMTYBSPTDU-NSHDSACASA-N 1 0 223.316 2.483 10 0 BEAERO CCC1CC[NH+](C[C@@H]2CCCC2=O)CC1 ZINC000053930807 358656521 /nfs/dbraw/zinc/65/65/21/358656521.db2.gz NMWABEKJDYKFBS-LBPRGKRZSA-N 1 0 209.333 2.478 10 0 BEAERO Cn1cccc1[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000131712774 358690895 /nfs/dbraw/zinc/69/08/95/358690895.db2.gz NUNKSXHJNGPJKD-CQSZACIVSA-N 1 0 234.343 2.341 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCN(C)C1 ZINC000132514848 491136464 /nfs/dbraw/zinc/13/64/64/491136464.db2.gz FPMXKPVTZMJGGO-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)C(C)(C)C ZINC000132155801 358708772 /nfs/dbraw/zinc/70/87/72/358708772.db2.gz JFOMBCZZWMSEQT-GHMZBOCLSA-N 1 0 249.420 2.224 10 0 BEAERO O=C1NCCC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000050395479 358726610 /nfs/dbraw/zinc/72/66/10/358726610.db2.gz JCZVTTPZIVTYCM-KBPBESRZSA-N 1 0 244.338 2.006 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)cc1C ZINC000050394558 358726683 /nfs/dbraw/zinc/72/66/83/358726683.db2.gz JQBRJQMSLVJHLI-GXTWGEPZSA-N 1 0 246.354 2.233 10 0 BEAERO O=C1NCCC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000050395477 358726714 /nfs/dbraw/zinc/72/67/14/358726714.db2.gz JCZVTTPZIVTYCM-KGLIPLIRSA-N 1 0 244.338 2.006 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)c(C)c1 ZINC000050394362 358726735 /nfs/dbraw/zinc/72/67/35/358726735.db2.gz GPNSLEIWCOHGAM-GXTWGEPZSA-N 1 0 246.354 2.233 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(F)cn1 ZINC000133920086 358772536 /nfs/dbraw/zinc/77/25/36/358772536.db2.gz PJQZNSVOLXNIHG-WDEREUQCSA-N 1 0 248.305 2.157 10 0 BEAERO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000133991183 358774965 /nfs/dbraw/zinc/77/49/65/358774965.db2.gz KMTKUWKINMGDLA-UWVGGRQHSA-N 1 0 226.295 2.296 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)[C@H](C)CO ZINC000134138354 358780957 /nfs/dbraw/zinc/78/09/57/358780957.db2.gz DRMBDNYTTDZMBO-JTNHKYCSSA-N 1 0 219.328 2.280 10 0 BEAERO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1CCCO ZINC000052762770 358793173 /nfs/dbraw/zinc/79/31/73/358793173.db2.gz UIAYBNYBBXWZQE-LBPRGKRZSA-N 1 0 238.331 2.028 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCn1cccn1 ZINC000134637679 358799622 /nfs/dbraw/zinc/79/96/22/358799622.db2.gz HSRBXDVDEPONEJ-YNEHKIRRSA-N 1 0 221.348 2.440 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000053655470 358837471 /nfs/dbraw/zinc/83/74/71/358837471.db2.gz RYSCLERCUYSEES-HNNXBMFYSA-N 1 0 247.386 2.292 10 0 BEAERO CC1CCC(C[NH2+][C@@H]2CCCCNC2=O)CC1 ZINC000058790317 358915136 /nfs/dbraw/zinc/91/51/36/358915136.db2.gz ZFFSRARQXZJPTR-WXRRBKDZSA-N 1 0 238.375 2.071 10 0 BEAERO COC(C[N@@H+]1CCC[C@]2(CC=CCC2)C1)OC ZINC000136767854 358885520 /nfs/dbraw/zinc/88/55/20/358885520.db2.gz GADRYUASVGLQKM-CQSZACIVSA-N 1 0 239.359 2.428 10 0 BEAERO CC(C)CCOCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000056267252 358896184 /nfs/dbraw/zinc/89/61/84/358896184.db2.gz WPBXPRFLVZMQJK-CHWSQXEVSA-N 1 0 229.364 2.158 10 0 BEAERO C[C@H]1C[C@H](CO)CC[N@@H+]1CC1CCCC1 ZINC000640222581 358904189 /nfs/dbraw/zinc/90/41/89/358904189.db2.gz QKKFCQJSYNAOOZ-WCQYABFASA-N 1 0 211.349 2.269 10 0 BEAERO Cc1ccccc1CC[NH2+]Cc1nccn1C ZINC000057598801 358905493 /nfs/dbraw/zinc/90/54/93/358905493.db2.gz PHLCDVTUOPIMKT-UHFFFAOYSA-N 1 0 229.327 2.061 10 0 BEAERO O=C([C@H]1CC=CCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605128 358935211 /nfs/dbraw/zinc/93/52/11/358935211.db2.gz IQTPDJSDNFKSDP-ZDUSSCGKSA-N 1 0 248.370 2.039 10 0 BEAERO OCC[N@@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000224191406 358952090 /nfs/dbraw/zinc/95/20/90/358952090.db2.gz OKDHAVBYMIFSCA-CYBMUJFWSA-N 1 0 223.291 2.345 10 0 BEAERO Cc1cc(C(C)(C)C[NH3+])ncc1Br ZINC000306192805 359021639 /nfs/dbraw/zinc/02/16/39/359021639.db2.gz CXDFCTDJAQSJPQ-UHFFFAOYSA-N 1 0 243.148 2.389 10 0 BEAERO CS[C@H]1CCCC[C@@H]1NC1=[NH+]CCS1 ZINC000300385324 358981020 /nfs/dbraw/zinc/98/10/20/358981020.db2.gz KJPWBMMTHAZRID-IUCAKERBSA-N 1 0 230.402 2.353 10 0 BEAERO C[C@@H]1CSC(N[C@H]2CCC(F)(F)C2)=[NH+]1 ZINC000306172341 358981710 /nfs/dbraw/zinc/98/17/10/358981710.db2.gz LFFGDIONWPEWJI-RQJHMYQMSA-N 1 0 220.288 2.255 10 0 BEAERO Cc1cc(Br)cnc1C1([NH3+])CCC1 ZINC000306174071 358982836 /nfs/dbraw/zinc/98/28/36/358982836.db2.gz UGOLMGJUFFQCLD-UHFFFAOYSA-N 1 0 241.132 2.490 10 0 BEAERO C[C@@H]1CC[N@H+](Cc2cc[nH]c2)C[C@H]1n1ccnc1 ZINC000246435456 359084257 /nfs/dbraw/zinc/08/42/57/359084257.db2.gz NDKNSLMEBJESOY-TZMCWYRMSA-N 1 0 244.342 2.294 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)no1 ZINC000246436121 359085793 /nfs/dbraw/zinc/08/57/93/359085793.db2.gz HHRKEIGDUJVGIE-STQMWFEESA-N 1 0 249.358 2.042 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CCCOC1 ZINC000070528883 359058816 /nfs/dbraw/zinc/05/88/16/359058816.db2.gz JVXUBWCXXSGCJC-DGCLKSJQSA-N 1 0 233.311 2.136 10 0 BEAERO O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247009010 359182345 /nfs/dbraw/zinc/18/23/45/359182345.db2.gz RUXWAEPQWFTMFY-RYUDHWBXSA-N 1 0 249.310 2.370 10 0 BEAERO CSCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247137008 359196440 /nfs/dbraw/zinc/19/64/40/359196440.db2.gz AXFAHLQLVGPXOI-STQMWFEESA-N 1 0 243.416 2.367 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2nccs2)C1 ZINC000247078352 359192824 /nfs/dbraw/zinc/19/28/24/359192824.db2.gz UBMZEMYVHZNBEY-MNOVXSKESA-N 1 0 239.388 2.278 10 0 BEAERO Cc1cnn([C@H]2CCC[N@H+](C[C@H]3CCCO3)C2)c1 ZINC000247372372 359216613 /nfs/dbraw/zinc/21/66/13/359216613.db2.gz UUFJOKAYXUBXFD-UONOGXRCSA-N 1 0 249.358 2.007 10 0 BEAERO COCCC[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000248180271 359258051 /nfs/dbraw/zinc/25/80/51/359258051.db2.gz WHTBTUWBIUHGOD-TUKIKUTGSA-N 1 0 249.354 2.049 10 0 BEAERO C[NH2+][C@H]1CC[C@@](C)(c2cc(C)ns2)C1 ZINC000306200654 359289752 /nfs/dbraw/zinc/28/97/52/359289752.db2.gz JTJXPXDUZCHGOM-GXSJLCMTSA-N 1 0 210.346 2.481 10 0 BEAERO [NH3+][C@H](CC1OCCO1)c1ccsc1Cl ZINC000306210522 359303102 /nfs/dbraw/zinc/30/31/02/359303102.db2.gz UIHFBZUKVJOVBS-SSDOTTSWSA-N 1 0 233.720 2.164 10 0 BEAERO Cc1csc2c1ncnc2C(C)(C)[NH3+] ZINC000306214074 359314900 /nfs/dbraw/zinc/31/49/00/359314900.db2.gz YBAYDRVVQXQQCZ-UHFFFAOYSA-N 1 0 207.302 2.194 10 0 BEAERO C1=C[C@H](N2CC[N@H+]3CCCC[C@@H]3C2)CCC1 ZINC000248368770 359271396 /nfs/dbraw/zinc/27/13/96/359271396.db2.gz VOBUJXFOKVJJEZ-UONOGXRCSA-N 1 0 220.360 2.265 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1cc(F)cc(Br)c1 ZINC000306213818 359316758 /nfs/dbraw/zinc/31/67/58/359316758.db2.gz XWEICBDMQSPFSJ-DTWKUNHWSA-N 1 0 230.080 2.403 10 0 BEAERO CC(C)NC(=[NH2+])[C@@H]1SCCS[C@@H]1C ZINC000228187279 359359542 /nfs/dbraw/zinc/35/95/42/359359542.db2.gz QOGUZDWVPDCVDZ-HTQZYQBOSA-N 1 0 218.391 2.199 10 0 BEAERO CN(Cc1ccccc1)[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000306229845 359364179 /nfs/dbraw/zinc/36/41/79/359364179.db2.gz JYFFRNSNZOWEBP-UVPYHEFZSA-N 1 0 242.366 2.115 10 0 BEAERO Cc1cc(CO[C@H]2CCC[C@H]2[NH3+])cs1 ZINC000306221894 359343081 /nfs/dbraw/zinc/34/30/81/359343081.db2.gz JVNANLXFFAOQNV-MNOVXSKESA-N 1 0 211.330 2.453 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1ccsc1Cl ZINC000306222770 359345537 /nfs/dbraw/zinc/34/55/37/359345537.db2.gz KTBASMZOPHQSKH-YFKPBYRVSA-N 1 0 203.694 2.322 10 0 BEAERO [NH3+]C[C@H]1CCO[C@@H]1c1ccsc1Cl ZINC000306244360 359427776 /nfs/dbraw/zinc/42/77/76/359427776.db2.gz UHJFFNRWMSNFHS-SVRRBLITSA-N 1 0 217.721 2.438 10 0 BEAERO [NH3+]C[C@@H]1CCO[C@@H]1c1ccsc1Cl ZINC000306244361 359427930 /nfs/dbraw/zinc/42/79/30/359427930.db2.gz UHJFFNRWMSNFHS-XPUUQOCRSA-N 1 0 217.721 2.438 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]CC1(F)CCCC1 ZINC000306232644 359388976 /nfs/dbraw/zinc/38/89/76/359388976.db2.gz DUILJOBAVPRAGE-ZJUUUORDSA-N 1 0 201.285 2.036 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]CC1(F)CCCC1 ZINC000306232640 359389026 /nfs/dbraw/zinc/38/90/26/359389026.db2.gz DUILJOBAVPRAGE-VHSXEESVSA-N 1 0 201.285 2.036 10 0 BEAERO FC(F)(F)C1CC([NH2+]C2CSC2)C1 ZINC000306256616 359471489 /nfs/dbraw/zinc/47/14/89/359471489.db2.gz PXMCEHMWYYSXRE-UHFFFAOYSA-N 1 0 211.252 2.032 10 0 BEAERO CC(C)CN(C)c1c(N)c[nH+]cc1Cl ZINC000306247167 359438717 /nfs/dbraw/zinc/43/87/17/359438717.db2.gz SEWDYQINLDZCHX-UHFFFAOYSA-N 1 0 213.712 2.409 10 0 BEAERO Cc1csc([C@@]2(C[NH3+])CCCS2)n1 ZINC000306280854 359512447 /nfs/dbraw/zinc/51/24/47/359512447.db2.gz FAKXFKKFGFDZPH-VIFPVBQESA-N 1 0 214.359 2.133 10 0 BEAERO FC(F)(F)[C@@H]1CCC[C@H]1[NH2+]C1CSC1 ZINC000306268540 359490155 /nfs/dbraw/zinc/49/01/55/359490155.db2.gz KARHIILJFOJMIE-HTQZYQBOSA-N 1 0 225.279 2.422 10 0 BEAERO [NH3+][C@H](c1ccsn1)[C@@H]1CCCS1 ZINC000306338421 359639018 /nfs/dbraw/zinc/63/90/18/359639018.db2.gz VVFWPSQHXJRUSY-JGVFFNPUSA-N 1 0 200.332 2.039 10 0 BEAERO C[C@H]1CCC[C@H](CC(=O)c2ccoc2)[NH2+]1 ZINC000130367781 359659022 /nfs/dbraw/zinc/65/90/22/359659022.db2.gz ORNPPFMIYUWDKW-GXSJLCMTSA-N 1 0 207.273 2.383 10 0 BEAERO CC1(C)CC[C@H]1[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC000306385593 359737736 /nfs/dbraw/zinc/73/77/36/359737736.db2.gz BOASNCYSTOFEPG-GHMZBOCLSA-N 1 0 225.332 2.060 10 0 BEAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCC2(C1)OCCO2 ZINC000306385599 359739513 /nfs/dbraw/zinc/73/95/13/359739513.db2.gz BOASNCYSTOFEPG-WDEREUQCSA-N 1 0 225.332 2.060 10 0 BEAERO C[NH2+]C(C)(C)C(=O)c1cc(F)cc(F)c1 ZINC000169195761 359747874 /nfs/dbraw/zinc/74/78/74/359747874.db2.gz HNHAIEDBSHCAOV-UHFFFAOYSA-N 1 0 213.227 2.146 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000309090156 491144516 /nfs/dbraw/zinc/14/45/16/491144516.db2.gz BWDRROSVBZHVQW-RWMBFGLXSA-N 1 0 212.381 2.352 10 0 BEAERO CC(C)[C@@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087616897 359921185 /nfs/dbraw/zinc/92/11/85/359921185.db2.gz DYCKFETVYLPGLX-BXUZGUMPSA-N 1 0 246.354 2.034 10 0 BEAERO CSC1([C@@H]2[NH2+]C[C@@H](C)CS2)CC1 ZINC000306446621 360010150 /nfs/dbraw/zinc/01/01/50/360010150.db2.gz BOXSHDNABCMLLV-HTQZYQBOSA-N 1 0 203.376 2.181 10 0 BEAERO O=C1CC[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000306457837 360047706 /nfs/dbraw/zinc/04/77/06/360047706.db2.gz WOPDJHDEEANZJF-GRYCIOLGSA-N 1 0 207.317 2.230 10 0 BEAERO [NH3+][C@H](Cc1csc(Cl)c1)[C@H]1CCOC1 ZINC000306471151 360095115 /nfs/dbraw/zinc/09/51/15/360095115.db2.gz RKFBRZROUZXRJB-DTWKUNHWSA-N 1 0 231.748 2.308 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000090227560 360066864 /nfs/dbraw/zinc/06/68/64/360066864.db2.gz WHVBQFHPMVYXSY-GFCCVEGCSA-N 1 0 246.358 2.200 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C(C)C ZINC000090227533 360067503 /nfs/dbraw/zinc/06/75/03/360067503.db2.gz UQEDXUHMBMSQKG-GXSJLCMTSA-N 1 0 222.336 2.056 10 0 BEAERO O=C(c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000169286271 360070228 /nfs/dbraw/zinc/07/02/28/360070228.db2.gz FVXLIYNOHHFINU-ZCFIWIBFSA-N 1 0 215.705 2.194 10 0 BEAERO Brc1ccsc1C1C[NH2+]C1 ZINC000237967358 360150909 /nfs/dbraw/zinc/15/09/09/360150909.db2.gz SEWOIEGQLKFSEP-UHFFFAOYSA-N 1 0 218.119 2.197 10 0 BEAERO C[C@H]1C[C@@]2(CN1Cc1ccccc1)[NH2+]CCS2 ZINC000306485961 360162247 /nfs/dbraw/zinc/16/22/47/360162247.db2.gz OGBQLBKULWLTOK-GXTWGEPZSA-N 1 0 248.395 2.314 10 0 BEAERO C[C@@H]1C[C@@]2(CN1Cc1ccccc1)[NH2+]CCS2 ZINC000306486371 360163655 /nfs/dbraw/zinc/16/36/55/360163655.db2.gz OGBQLBKULWLTOK-TZMCWYRMSA-N 1 0 248.395 2.314 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000093080279 360214937 /nfs/dbraw/zinc/21/49/37/360214937.db2.gz FCNJNVZBNKFBFO-GXSJLCMTSA-N 1 0 222.336 2.057 10 0 BEAERO c1coc([C@H]2CCCN2Cc2cc[nH]n2)c1 ZINC000093335437 360232842 /nfs/dbraw/zinc/23/28/42/360232842.db2.gz RLIHVHWKGWCHQF-LLVKDONJSA-N 1 0 217.272 2.340 10 0 BEAERO COC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1 ZINC000306517409 360344459 /nfs/dbraw/zinc/34/44/59/360344459.db2.gz AGPBZMAHNYDWIY-VXGBXAGGSA-N 1 0 207.317 2.447 10 0 BEAERO C[C@]1(F)CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000306517444 360344734 /nfs/dbraw/zinc/34/47/34/360344734.db2.gz BBEGOAHSDRRLSR-ZJUUUORDSA-N 1 0 203.326 2.316 10 0 BEAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)C1 ZINC000094648142 360313605 /nfs/dbraw/zinc/31/36/05/360313605.db2.gz RUWRVFWAUKFPRJ-YVECIDJPSA-N 1 0 238.375 2.022 10 0 BEAERO COc1cc([C@@H]2CCCCC[NH2+]2)sn1 ZINC000306534379 360396938 /nfs/dbraw/zinc/39/69/38/360396938.db2.gz IQNAYBSKJGPQEU-QMMMGPOBSA-N 1 0 212.318 2.356 10 0 BEAERO C[C@@H]1C[C@H]1c1nc(C(F)F)c(C[NH3+])o1 ZINC000306566046 360445277 /nfs/dbraw/zinc/44/52/77/360445277.db2.gz FUWIALVXIWKNGV-RFZPGFLSSA-N 1 0 202.204 2.194 10 0 BEAERO C[C@H](c1cccs1)n1cnc(C[NH3+])c1 ZINC000300735728 360423452 /nfs/dbraw/zinc/42/34/52/360423452.db2.gz LCGFNHWUWKGGJJ-MRVPVSSYSA-N 1 0 207.302 2.013 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)nc1 ZINC000306551425 360424624 /nfs/dbraw/zinc/42/46/24/360424624.db2.gz AJIOOVNHBRHWHD-VXNVDRBHSA-N 1 0 241.132 2.342 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Br)nc1 ZINC000306551422 360424700 /nfs/dbraw/zinc/42/47/00/360424700.db2.gz AJIOOVNHBRHWHD-APPZFPTMSA-N 1 0 241.132 2.342 10 0 BEAERO CS[C@@H]1CCCN(C(=[NH2+])C(C)C)C1 ZINC000306551310 360424836 /nfs/dbraw/zinc/42/48/36/360424836.db2.gz ADEXOJVXWMSWPW-SECBINFHSA-N 1 0 200.351 2.447 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000306581685 360478659 /nfs/dbraw/zinc/47/86/59/360478659.db2.gz ZYRBEXCTHKQSGW-CIUDSAMLSA-N 1 0 217.403 2.364 10 0 BEAERO Cc1csc(C[C@@]2([NH3+])CC=CCC2)n1 ZINC000306586098 360485972 /nfs/dbraw/zinc/48/59/72/360485972.db2.gz RBJTVXLASYUTQT-LLVKDONJSA-N 1 0 208.330 2.432 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000300752521 360454828 /nfs/dbraw/zinc/45/48/28/360454828.db2.gz HWTHNTORMDIGNT-HTQZYQBOSA-N 1 0 230.105 2.493 10 0 BEAERO CC[C@H](NC(N)=[NH2+])c1cccc(Cl)c1 ZINC000306590621 360497595 /nfs/dbraw/zinc/49/75/95/360497595.db2.gz VCUGPQCXRYKEHN-VIFPVBQESA-N 1 0 211.696 2.274 10 0 BEAERO [NH3+]Cc1oc(C2CC2)nc1C(F)(F)F ZINC000306573743 360464130 /nfs/dbraw/zinc/46/41/30/360464130.db2.gz IHYIKXGXEZAPDC-UHFFFAOYSA-N 1 0 206.167 2.030 10 0 BEAERO CC1(C)[C@@H](c2occc2Br)[C@@H]1[NH3+] ZINC000300783142 360503113 /nfs/dbraw/zinc/50/31/13/360503113.db2.gz VSBLRHNQQWOQKM-XPUUQOCRSA-N 1 0 230.105 2.493 10 0 BEAERO Cc1cc([C@H]([NH3+])CC[NH3+])sc1Br ZINC000306591092 360505077 /nfs/dbraw/zinc/50/50/77/360505077.db2.gz VIGXNBOKONFZQF-ZCFIWIBFSA-N 1 0 249.177 2.168 10 0 BEAERO Cc1ccsc1[C@@H]1[C@H]([NH3+])CCCN1C ZINC000069798597 360556972 /nfs/dbraw/zinc/55/69/72/360556972.db2.gz YEJWTMZVXQDRQE-ZJUUUORDSA-N 1 0 210.346 2.151 10 0 BEAERO CC[NH2+][C@H](C)c1cn(C2CCCCC2)nn1 ZINC000381060307 360577730 /nfs/dbraw/zinc/57/77/30/360577730.db2.gz KVCAIZSPJMQQRO-SNVBAGLBSA-N 1 0 222.336 2.454 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)c(F)c1 ZINC000631104927 360948305 /nfs/dbraw/zinc/94/83/05/360948305.db2.gz QBCIVOKJXDDPOR-MFKMUULPSA-N 1 0 223.291 2.401 10 0 BEAERO CC1(C)CN(C/C(Cl)=C\Cl)CC[C@H]1[NH3+] ZINC000379518014 360998142 /nfs/dbraw/zinc/99/81/42/360998142.db2.gz AECLIHRACSFJFG-WHXYTISESA-N 1 0 237.174 2.365 10 0 BEAERO [NH3+]C/C(=C/Br)c1ccccc1 ZINC000029557744 181324100 /nfs/dbraw/zinc/32/41/00/181324100.db2.gz POPUWIUFSWRDDQ-TWGQIWQCSA-N 1 0 212.090 2.381 10 0 BEAERO [NH3+]C/C=C/c1cccc(Br)c1 ZINC000069050075 181323990 /nfs/dbraw/zinc/32/39/90/181323990.db2.gz XZKBBBQJSPQRPS-DUXPYHPUSA-N 1 0 212.090 2.421 10 0 BEAERO [NH3+]Cc1ccc(OC(F)(F)F)nc1Cl ZINC000238682625 361177994 /nfs/dbraw/zinc/17/79/94/361177994.db2.gz RBRDLBITGLUOMV-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO C[C@H]([NH3+])[C@H](C)Oc1ccc(F)cc1F ZINC000041053960 361208056 /nfs/dbraw/zinc/20/80/56/361208056.db2.gz LTPRSISCADBXHA-BQBZGAKWSA-N 1 0 201.216 2.079 10 0 BEAERO CC1(C)CN([C@@H](C[NH3+])c2cccs2)C1 ZINC000306621040 361230644 /nfs/dbraw/zinc/23/06/44/361230644.db2.gz YSZQRRACVBPHMT-VIFPVBQESA-N 1 0 210.346 2.090 10 0 BEAERO Cc1nc(C2([NH3+])CCSCC2)sc1C ZINC000041060031 361240353 /nfs/dbraw/zinc/24/03/53/361240353.db2.gz MEATWLCTJIYCKA-UHFFFAOYSA-N 1 0 228.386 2.441 10 0 BEAERO C[C@]([NH3+])(c1nc2c(s1)CCC2)C1CC1 ZINC000041060153 361240791 /nfs/dbraw/zinc/24/07/91/361240791.db2.gz BCQJQAOGLBNGRY-LLVKDONJSA-N 1 0 208.330 2.216 10 0 BEAERO CCOC(=O)c1cccc(C2CC[NH2+]CC2)c1 ZINC000115719956 370687748 /nfs/dbraw/zinc/68/77/48/370687748.db2.gz KJOPOMPSIKGFCH-UHFFFAOYSA-N 1 0 233.311 2.330 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2CCF)[nH]n1 ZINC000309846669 491157013 /nfs/dbraw/zinc/15/70/13/491157013.db2.gz GVJVWNCTOPDELO-CMPLNLGQSA-N 1 0 225.311 2.336 10 0 BEAERO CC(=O)C(C)(C)C[N@@H+]1CC2CCC1CC2 ZINC000306631071 361363415 /nfs/dbraw/zinc/36/34/15/361363415.db2.gz LAXIZZKKHMBJBJ-UHFFFAOYSA-N 1 0 209.333 2.476 10 0 BEAERO [NH3+]C1([C@@H](O)c2cccs2)CCCCC1 ZINC000071518301 181332419 /nfs/dbraw/zinc/33/24/19/181332419.db2.gz QGLRNVBVHRFJHZ-JTQLQIEISA-N 1 0 211.330 2.443 10 0 BEAERO [NH3+]C1(CNCc2ccco2)CCCCC1 ZINC000040407664 181332049 /nfs/dbraw/zinc/33/20/49/181332049.db2.gz ODPCHZJXUHGQOF-UHFFFAOYSA-N 1 0 208.305 2.031 10 0 BEAERO [NH3+]C1(c2cccc([C@@H]3CCCO3)c2)CC1 ZINC000095938197 181335277 /nfs/dbraw/zinc/33/52/77/181335277.db2.gz XCGJZCKAXPYEPJ-LBPRGKRZSA-N 1 0 203.285 2.486 10 0 BEAERO [NH3+]C1(c2nc(-c3ccncc3)c[nH]2)CCCC1 ZINC000037616809 181335354 /nfs/dbraw/zinc/33/53/54/181335354.db2.gz COKSBSSGFSSMPT-UHFFFAOYSA-N 1 0 228.299 2.200 10 0 BEAERO [NH3+]C1(c2nc(C(F)(F)F)c[nH]2)CCCC1 ZINC000037479653 181334547 /nfs/dbraw/zinc/33/45/47/181334547.db2.gz NDQVOHZTMFJJAW-UHFFFAOYSA-N 1 0 219.210 2.157 10 0 BEAERO [NH3+]C1(c2nc(-c3ccco3)no2)CCCCC1 ZINC000054445336 181334868 /nfs/dbraw/zinc/33/48/68/181334868.db2.gz XVMUBLUVOYQHCY-UHFFFAOYSA-N 1 0 233.271 2.448 10 0 BEAERO CCC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)OCC ZINC000629600795 361491109 /nfs/dbraw/zinc/49/11/09/361491109.db2.gz QXVLNRPQKSSDFC-NEPJUHHUSA-N 1 0 231.380 2.188 10 0 BEAERO CCOc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005491 361511987 /nfs/dbraw/zinc/51/19/87/361511987.db2.gz IOPHYOSORMRGRB-UHFFFAOYSA-N 1 0 231.299 2.098 10 0 BEAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cs1 ZINC000152322942 201196830 /nfs/dbraw/zinc/19/68/30/201196830.db2.gz ZIXNKIKPAWVXBH-ZYHUDNBSSA-N 1 0 240.372 2.092 10 0 BEAERO [NH2+]=C1N[C@@H](C2CCCC2)Nc2ccccc21 ZINC000013493533 181338678 /nfs/dbraw/zinc/33/86/78/181338678.db2.gz CODFUQOUEHCCNF-ZDUSSCGKSA-N 1 0 215.300 2.334 10 0 BEAERO C[C@@H]1CCC[C@@H](CCN2CCC(=O)C2)C1 ZINC000070532644 361531383 /nfs/dbraw/zinc/53/13/83/361531383.db2.gz MYQNFOKMYVROSQ-NEPJUHHUSA-N 1 0 209.333 2.478 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)C1(C)CCCC1 ZINC000434490593 201223276 /nfs/dbraw/zinc/22/32/76/201223276.db2.gz DOPLUOPSAFDEKO-ZDUSSCGKSA-N 1 0 243.391 2.429 10 0 BEAERO CCn1ccnc1-c1ccc(C[NH3+])s1 ZINC000070601163 361584331 /nfs/dbraw/zinc/58/43/31/361584331.db2.gz AHSMQZMNOSPFPB-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO C[C@H](Sc1ncccc1Cl)C(N)=[NH2+] ZINC000070615021 361629266 /nfs/dbraw/zinc/62/92/66/361629266.db2.gz IAYNFZJBLHHBGW-YFKPBYRVSA-N 1 0 215.709 2.152 10 0 BEAERO [NH3+]C1CCC(C(=O)NCCC2CCCC2)CC1 ZINC000037740148 181340451 /nfs/dbraw/zinc/34/04/51/181340451.db2.gz OQIGULAFAVOHIC-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1nccs1 ZINC000083143002 491160061 /nfs/dbraw/zinc/16/00/61/491160061.db2.gz OTYYICYJAYNCFP-GUBZILKMSA-N 1 0 226.345 2.097 10 0 BEAERO c1n[nH]cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000038006180 361661802 /nfs/dbraw/zinc/66/18/02/361661802.db2.gz UBEVWQPKGPTGLQ-UHFFFAOYSA-N 1 0 231.343 2.324 10 0 BEAERO NC(=S)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000070663588 361708435 /nfs/dbraw/zinc/70/84/35/361708435.db2.gz IWDZVHRSDWROAK-LBPRGKRZSA-N 1 0 234.368 2.185 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000037164764 361711757 /nfs/dbraw/zinc/71/17/57/361711757.db2.gz NVSCTBZAOHAOMG-XQHKEYJVSA-N 1 0 211.349 2.458 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc(C)c1O ZINC000037166337 361712121 /nfs/dbraw/zinc/71/21/21/361712121.db2.gz WWIDOVUETRUOAH-UONOGXRCSA-N 1 0 249.354 2.402 10 0 BEAERO Cc1[nH+]cc(Br)c(N)c1C ZINC000214884613 363873816 /nfs/dbraw/zinc/87/38/16/363873816.db2.gz MMTMNOXMXZDXFU-UHFFFAOYSA-N 1 0 201.067 2.043 10 0 BEAERO C[C@@H]([C@H]1[NH2+]CCc2nc[nH]c21)C(C)(C)C ZINC000400372170 541308622 /nfs/dbraw/zinc/30/86/22/541308622.db2.gz BFCJCHLLSPZVLX-WCBMZHEXSA-N 1 0 207.321 2.279 10 0 BEAERO COc1ccc2[nH]ccc2c1CCC[NH3+] ZINC000075068557 541316540 /nfs/dbraw/zinc/31/65/40/541316540.db2.gz IVHXRMISSXKSDJ-UHFFFAOYSA-N 1 0 204.273 2.068 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000381948926 487528080 /nfs/dbraw/zinc/52/80/80/487528080.db2.gz ASHJNMJYXDCCHI-RVMXOQNASA-N 1 0 209.333 2.334 10 0 BEAERO CO[C@@H]1C[N@H+](CC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630362196 364081889 /nfs/dbraw/zinc/08/18/89/364081889.db2.gz OILDAAOGDVYHMR-UONOGXRCSA-N 1 0 240.391 2.005 10 0 BEAERO C[NH2+][C@H]1COc2c1ccc(Cl)c2F ZINC000130682460 364087164 /nfs/dbraw/zinc/08/71/64/364087164.db2.gz BCMQCTFHDQCAKT-ZETCQYMHSA-N 1 0 201.628 2.132 10 0 BEAERO CCc1cnc(CC[NH2+][C@@H](CC)COC)s1 ZINC000130366352 364090526 /nfs/dbraw/zinc/09/05/26/364090526.db2.gz HBSDBCWKJKBOKV-JTQLQIEISA-N 1 0 242.388 2.263 10 0 BEAERO CC(C)CC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725263923 541336254 /nfs/dbraw/zinc/33/62/54/541336254.db2.gz BZJJWIZZFSMGLW-LBPRGKRZSA-N 1 0 238.375 2.071 10 0 BEAERO CCCC[N@H+](CCO)[C@@H]1CCOC12CCCC2 ZINC000725263819 541337115 /nfs/dbraw/zinc/33/71/15/541337115.db2.gz LVWYLGAQYRRZRT-CYBMUJFWSA-N 1 0 241.375 2.183 10 0 BEAERO C[C@@H](C(=O)NC[C@@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000725268993 541338094 /nfs/dbraw/zinc/33/80/94/541338094.db2.gz AYVUMRHHUXGHGB-RYUDHWBXSA-N 1 0 240.391 2.317 10 0 BEAERO [NH3+]CC12CC(C1)CN2c1nccc2ccccc21 ZINC000630516738 364201982 /nfs/dbraw/zinc/20/19/82/364201982.db2.gz JSTYRMZBMBCAHR-UHFFFAOYSA-N 1 0 239.322 2.162 10 0 BEAERO C[NH2+]C[C@H](C)Nc1nccc2ccccc21 ZINC000630519547 364203179 /nfs/dbraw/zinc/20/31/79/364203179.db2.gz VKHFQAWQZYQYGS-JTQLQIEISA-N 1 0 215.300 2.255 10 0 BEAERO Cc1ccnc(N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000630558067 364257252 /nfs/dbraw/zinc/25/72/52/364257252.db2.gz WLNXGZBFQHRDRL-HAQNSBGRSA-N 1 0 219.332 2.319 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000630556549 364257537 /nfs/dbraw/zinc/25/75/37/364257537.db2.gz HXKOHNKFHWGQFN-XYPYZODXSA-N 1 0 205.305 2.011 10 0 BEAERO C[C@H]1CN(c2ccc3ccccc3n2)C[C@H]1C[NH3+] ZINC000630566696 364263635 /nfs/dbraw/zinc/26/36/35/364263635.db2.gz FLGODRVILRPHRH-WCQYABFASA-N 1 0 241.338 2.266 10 0 BEAERO C[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1C[NH3+] ZINC000630569901 364264690 /nfs/dbraw/zinc/26/46/90/364264690.db2.gz KHRGEUAJCSIVIG-VXGBXAGGSA-N 1 0 241.338 2.266 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ncnc3sccc32)C[NH2+]1 ZINC000630533733 364226393 /nfs/dbraw/zinc/22/63/93/364226393.db2.gz QKRRGWNCGRWXNL-DTWKUNHWSA-N 1 0 248.355 2.244 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ncc(Cl)cc2F)C[NH2+]1 ZINC000630535225 364229517 /nfs/dbraw/zinc/22/95/17/364229517.db2.gz SDLMQHCDOLSTNJ-VXNVDRBHSA-N 1 0 243.713 2.427 10 0 BEAERO CN(Cc1ccccc1)C(=O)C1CCC([NH3+])CC1 ZINC000037623058 364339321 /nfs/dbraw/zinc/33/93/21/364339321.db2.gz YPCDOHKEYWCDHK-UHFFFAOYSA-N 1 0 246.354 2.163 10 0 BEAERO [NH3+]CC1(c2c(F)cccc2Cl)CCOCC1 ZINC000034940517 181361413 /nfs/dbraw/zinc/36/14/13/181361413.db2.gz UXYXTPOZCMKEFC-UHFFFAOYSA-N 1 0 243.709 2.486 10 0 BEAERO C[C@H]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000037655114 364436272 /nfs/dbraw/zinc/43/62/72/364436272.db2.gz NGHNMWJZHQMPQT-WTIISPKJSA-N 1 0 238.375 2.199 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000084084972 541358876 /nfs/dbraw/zinc/35/88/76/541358876.db2.gz PICSAMGTNRXHML-NEPJUHHUSA-N 1 0 240.734 2.128 10 0 BEAERO CC(C)C[C@@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000037740110 364574199 /nfs/dbraw/zinc/57/41/99/364574199.db2.gz VFAORCRPVXSXRL-GFCCVEGCSA-N 1 0 226.364 2.056 10 0 BEAERO [NH3+]CCC(=O)Nc1cccc(Cl)c1Cl ZINC000011755270 181368762 /nfs/dbraw/zinc/36/87/62/181368762.db2.gz YXIYNMRSHDBQBM-UHFFFAOYSA-N 1 0 233.098 2.281 10 0 BEAERO [NH3+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000011755267 181368829 /nfs/dbraw/zinc/36/88/29/181368829.db2.gz JVHBPOPEQXJTTM-UHFFFAOYSA-N 1 0 233.098 2.281 10 0 BEAERO CC[C@](C)(O)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000087012739 364693538 /nfs/dbraw/zinc/69/35/38/364693538.db2.gz HSFSVWFXPHGQEP-AWEZNQCLSA-N 1 0 237.343 2.260 10 0 BEAERO [NH3+]CCC(=O)c1c[nH]c2c1cccc2Cl ZINC000074037160 181369758 /nfs/dbraw/zinc/36/97/58/181369758.db2.gz YUNOEWFZEKAJCK-UHFFFAOYSA-N 1 0 222.675 2.353 10 0 BEAERO [NH3+]CCC(=O)c1ccc(Cl)c2[nH]ccc21 ZINC000082363039 181369907 /nfs/dbraw/zinc/36/99/07/181369907.db2.gz LXHQKTUJVLWIFZ-UHFFFAOYSA-N 1 0 222.675 2.353 10 0 BEAERO [NH3+]CCC(=O)c1cc(F)ccc1Cl ZINC000082913431 181370728 /nfs/dbraw/zinc/37/07/28/181370728.db2.gz CPKXZFNQPIZUND-UHFFFAOYSA-N 1 0 201.628 2.011 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])c1nnc(C2CCC2)[nH]1 ZINC000675060563 541386624 /nfs/dbraw/zinc/38/66/24/541386624.db2.gz IZHSMQHCNSEJSC-VXNVDRBHSA-N 1 0 208.309 2.118 10 0 BEAERO [NH3+]CCCCCN1CCc2ccccc21 ZINC000049580607 181374701 /nfs/dbraw/zinc/37/47/01/181374701.db2.gz RESYGWMIKBWGLZ-UHFFFAOYSA-N 1 0 204.317 2.178 10 0 BEAERO [NH3+]CCCCCOc1ccc(F)cc1F ZINC000041228095 181375236 /nfs/dbraw/zinc/37/52/36/181375236.db2.gz DHQNANDPTCPMKZ-UHFFFAOYSA-N 1 0 215.243 2.473 10 0 BEAERO [NH3+]CCCCCCc1ccc2c(c1)OCO2 ZINC000041237327 181375421 /nfs/dbraw/zinc/37/54/21/181375421.db2.gz USSCZXUSKWIPOH-UHFFFAOYSA-N 1 0 221.300 2.477 10 0 BEAERO [NH3+]CCCCCN1c2ccccc2CCCC1=O ZINC000049582048 181375493 /nfs/dbraw/zinc/37/54/93/181375493.db2.gz JJZZVRPPFYYOHJ-UHFFFAOYSA-N 1 0 246.354 2.485 10 0 BEAERO [NH3+]CCCCc1ccc2c(c1)OCCCO2 ZINC000036160586 181378411 /nfs/dbraw/zinc/37/84/11/181378411.db2.gz PYMWPOFVMYLVMB-UHFFFAOYSA-N 1 0 221.300 2.129 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000252545764 541449803 /nfs/dbraw/zinc/44/98/03/541449803.db2.gz JRLOWOSKDNLSAZ-MJBXVCDLSA-N 1 0 246.354 2.352 10 0 BEAERO [NH3+]CCC[C@@H](C(=O)NC1CC1)C1CCCCC1 ZINC000076620791 181384376 /nfs/dbraw/zinc/38/43/76/181384376.db2.gz VYVMESJFOWVOCY-CYBMUJFWSA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+]CCCSc1nc2ccccc2[nH]1 ZINC000019815155 181384462 /nfs/dbraw/zinc/38/44/62/181384462.db2.gz AYCUIPWLNRRGQP-UHFFFAOYSA-N 1 0 207.302 2.004 10 0 BEAERO [NH3+]CCCOc1ccc(Br)cc1F ZINC000034938887 181385010 /nfs/dbraw/zinc/38/50/10/181385010.db2.gz OQGMYLSQLGAIQD-UHFFFAOYSA-N 1 0 248.095 2.316 10 0 BEAERO [NH3+]CCCc1c(F)cccc1Br ZINC000075845656 181385936 /nfs/dbraw/zinc/38/59/36/181385936.db2.gz MBURGAKULKTWIL-UHFFFAOYSA-N 1 0 232.096 2.480 10 0 BEAERO [NH3+]CCCc1nccc(-c2ccccc2)n1 ZINC000070947831 181386656 /nfs/dbraw/zinc/38/66/56/181386656.db2.gz BCAONUKHXMIMCT-UHFFFAOYSA-N 1 0 213.284 2.035 10 0 BEAERO [NH3+]CCCc1nc(-c2cccc(F)c2)c[nH]1 ZINC000036876246 181387188 /nfs/dbraw/zinc/38/71/88/181387188.db2.gz NUTIRPXRYXWILG-UHFFFAOYSA-N 1 0 219.263 2.107 10 0 BEAERO [NH3+]CCCc1nnc(CC2CCCCC2)o1 ZINC000050283656 181388101 /nfs/dbraw/zinc/38/81/01/181388101.db2.gz GTRKDLDBBMQTRN-UHFFFAOYSA-N 1 0 223.320 2.084 10 0 BEAERO NCC[N@H+](C[C@@H]1CCCCO1)C1CCCCC1 ZINC000104303607 181390787 /nfs/dbraw/zinc/39/07/87/181390787.db2.gz ASJSJCQOBRIRNE-AWEZNQCLSA-N 1 0 240.391 2.149 10 0 BEAERO [NH3+]CCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000037712953 181396911 /nfs/dbraw/zinc/39/69/11/181396911.db2.gz QDFFIZKJYIFGNO-GFCCVEGCSA-N 1 0 224.735 2.339 10 0 BEAERO [NH3+]CCNc1nccc2ccc(Cl)cc21 ZINC000044831358 181398164 /nfs/dbraw/zinc/39/81/64/181398164.db2.gz PYMBHNYPKPHMBG-UHFFFAOYSA-N 1 0 221.691 2.259 10 0 BEAERO CCSc1cccc(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000574650754 365112980 /nfs/dbraw/zinc/11/29/80/365112980.db2.gz JEUXMSMWCRMAQT-SECBINFHSA-N 1 0 238.356 2.345 10 0 BEAERO [NH3+]CCSCc1ncccc1Br ZINC000039347628 181401738 /nfs/dbraw/zinc/40/17/38/181401738.db2.gz UMCHIQCDVOOJLO-UHFFFAOYSA-N 1 0 247.161 2.036 10 0 BEAERO [NH3+]CCc1ccc(C(F)(F)F)c(F)c1 ZINC000044248809 181412007 /nfs/dbraw/zinc/41/20/07/181412007.db2.gz ASUTZIHTGQNPSY-UHFFFAOYSA-N 1 0 207.170 2.346 10 0 BEAERO [NH3+]CCc1ccccc1OCc1ccccn1 ZINC000033424861 181412721 /nfs/dbraw/zinc/41/27/21/181412721.db2.gz AATFAHGTRJEXJD-UHFFFAOYSA-N 1 0 228.295 2.162 10 0 BEAERO [NH3+]CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000071531524 181413997 /nfs/dbraw/zinc/41/39/97/181413997.db2.gz KDCPROQIJDZOKP-UHFFFAOYSA-N 1 0 224.210 2.121 10 0 BEAERO [NH3+]CCc1nc(-c2ccccc2Cl)c[nH]1 ZINC000036876306 181414272 /nfs/dbraw/zinc/41/42/72/181414272.db2.gz PYKITXHTENNEME-UHFFFAOYSA-N 1 0 221.691 2.231 10 0 BEAERO [NH3+]CCc1nc2cccnc2n1C1CCCC1 ZINC000021925507 181414303 /nfs/dbraw/zinc/41/43/03/181414303.db2.gz CXGFVTSLXKIDIG-UHFFFAOYSA-N 1 0 230.315 2.048 10 0 BEAERO [NH3+]C[C@H](c1cccs1)c1cccnc1 ZINC000076583387 181426138 /nfs/dbraw/zinc/42/61/38/181426138.db2.gz LDWLWDSEPIVOAB-JTQLQIEISA-N 1 0 204.298 2.234 10 0 BEAERO [NH3+]C[C@@H](OC[C@H]1CCCO1)c1ccccc1F ZINC000043047481 181423532 /nfs/dbraw/zinc/42/35/32/181423532.db2.gz TUFDYECVBFJRIO-ZWNOBZJWSA-N 1 0 239.290 2.021 10 0 BEAERO CC[C@H](C)CN(C)Cc1nnc(C(C)C)n1C ZINC000171947626 365260313 /nfs/dbraw/zinc/26/03/13/365260313.db2.gz MLECQTOMTQXFAG-NSHDSACASA-N 1 0 238.379 2.416 10 0 BEAERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)nc1 ZINC000335945205 365304746 /nfs/dbraw/zinc/30/47/46/365304746.db2.gz WVDJJSFDBVCGBO-HIFRSBDPSA-N 1 0 245.370 2.059 10 0 BEAERO C[C@@H]([NH3+])[C@H]1COc2c(Cl)cccc2C1 ZINC000675063747 541465686 /nfs/dbraw/zinc/46/56/86/541465686.db2.gz NDCRIQUYSLUTOK-VXNVDRBHSA-N 1 0 211.692 2.238 10 0 BEAERO Clc1ccc([C@@]23CC[C@H]2CC[NH2+]3)cn1 ZINC000685947541 541496663 /nfs/dbraw/zinc/49/66/63/541496663.db2.gz PCGIOTZOWNWJCE-GZMMTYOYSA-N 1 0 208.692 2.334 10 0 BEAERO CCC[C@@H](C(=O)N(C)CCC(C)C)[NH+](C)C ZINC000179465579 541504742 /nfs/dbraw/zinc/50/47/42/541504742.db2.gz FVTCIPQOKHOYSB-LBPRGKRZSA-N 1 0 228.380 2.221 10 0 BEAERO CCC[C@H](C)c1cc2n(n1)[C@H](C[NH3+])CCN2 ZINC000233342095 541508695 /nfs/dbraw/zinc/50/86/95/541508695.db2.gz BTCVQYVTSMELOD-UWVGGRQHSA-N 1 0 222.336 2.102 10 0 BEAERO CC1(C)CCC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000368610406 367113999 /nfs/dbraw/zinc/11/39/99/367113999.db2.gz ADAVLNVXFLIHJR-ZDEQEGDKSA-N 1 0 223.360 2.437 10 0 BEAERO CCc1nc(C)c(C[NH2+]C[C@@H](O)C(C)(C)C)o1 ZINC000383020448 367587004 /nfs/dbraw/zinc/58/70/04/367587004.db2.gz QONZQEQNMFGXGT-LLVKDONJSA-N 1 0 240.347 2.042 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000581595158 367621857 /nfs/dbraw/zinc/62/18/57/367621857.db2.gz SDBAULYHZFCJTH-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO [NH3+]CC[C@@H](Nc1nc2ccccc2o1)C(F)F ZINC000383494590 367628778 /nfs/dbraw/zinc/62/87/78/367628778.db2.gz XRXOWFXJLBSGJK-MRVPVSSYSA-N 1 0 241.241 2.222 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1CC ZINC000384038346 367669762 /nfs/dbraw/zinc/66/97/62/367669762.db2.gz UFPGAECEDPEJSX-BFHYXJOUSA-N 1 0 243.391 2.284 10 0 BEAERO CCC1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000384267147 367680526 /nfs/dbraw/zinc/68/05/26/367680526.db2.gz QQXNKRWNYBJEEZ-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC1CCCC1 ZINC000384850256 367742655 /nfs/dbraw/zinc/74/26/55/367742655.db2.gz KUEAYVNWLNCQCV-YPMHNXCESA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H](N(C)C(=O)C[C@H]1CCC[NH2+]C1)C1(C)CC1 ZINC000385411331 367826153 /nfs/dbraw/zinc/82/61/53/367826153.db2.gz UVOYIOQRWSKNQU-VXGBXAGGSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)[C@H]([NH3+])[C@H]1SCCS[C@H]1C ZINC000252721036 367894077 /nfs/dbraw/zinc/89/40/77/367894077.db2.gz MNKBIFWTIQJYGT-CIUDSAMLSA-N 1 0 205.392 2.207 10 0 BEAERO CC(C)[C@@H]1CC[N@H+](C[C@H]2CCCC2=O)C1 ZINC000252850256 368163184 /nfs/dbraw/zinc/16/31/84/368163184.db2.gz HNBLJIWPRKSHQA-VXGBXAGGSA-N 1 0 209.333 2.334 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1cccc(F)c1 ZINC000054929453 368305656 /nfs/dbraw/zinc/30/56/56/368305656.db2.gz OVEBQMUXDGQYTR-RYUDHWBXSA-N 1 0 211.280 2.233 10 0 BEAERO C[NH+]1CCC([C@H](O)c2cccc(Cl)n2)CC1 ZINC000034433958 368369218 /nfs/dbraw/zinc/36/92/18/368369218.db2.gz KOXYPGOLNFBYMN-LBPRGKRZSA-N 1 0 240.734 2.110 10 0 BEAERO CC(C)CO[C@@H]1C[NH2+]CC[C@@H]1c1ccoc1 ZINC000038409948 368326572 /nfs/dbraw/zinc/32/65/72/368326572.db2.gz TWHJDBMNIPWRRW-CHWSQXEVSA-N 1 0 223.316 2.398 10 0 BEAERO CCCO[C@H]1C[NH2+]C[C@@H](COc2ccccc2)C1 ZINC000038476224 368326883 /nfs/dbraw/zinc/32/68/83/368326883.db2.gz MMWLQSMGSKLFKO-DZGCQCFKSA-N 1 0 249.354 2.470 10 0 BEAERO Cc1nccn1-c1ccc2[nH]c(=O)ccc2c1 ZINC000117473633 368343739 /nfs/dbraw/zinc/34/37/39/368343739.db2.gz MXUWUMRAXJULCZ-UHFFFAOYSA-N 1 0 225.251 2.435 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@H]2CCCC2=O)C[C@H]1C ZINC000253058323 368418195 /nfs/dbraw/zinc/41/81/95/368418195.db2.gz BOVHVPUDQGHTQG-IJLUTSLNSA-N 1 0 209.333 2.334 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2CCCC2=O)C[C@H]1C ZINC000253058324 368418492 /nfs/dbraw/zinc/41/84/92/368418492.db2.gz BOVHVPUDQGHTQG-UTUOFQBUSA-N 1 0 209.333 2.334 10 0 BEAERO [NH3+]C[C@@H]1CCNc2ccc(Br)cc21 ZINC000096988426 181435575 /nfs/dbraw/zinc/43/55/75/181435575.db2.gz VKZLOOZUWVUXRB-ZETCQYMHSA-N 1 0 241.132 2.307 10 0 BEAERO CC(C)NC(=O)CC[N@H+](C)Cc1ccccc1 ZINC000046502083 368444426 /nfs/dbraw/zinc/44/44/26/368444426.db2.gz DEUXDZXWQMNONP-UHFFFAOYSA-N 1 0 234.343 2.033 10 0 BEAERO C[C@H](CN(C)C(=O)[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000399704135 368494556 /nfs/dbraw/zinc/49/45/56/368494556.db2.gz DBTMOMNXHLDFGE-NEPJUHHUSA-N 1 0 240.391 2.127 10 0 BEAERO COC(=O)[C@@H](CC(C)C)[NH+]1CCCCC1 ZINC000059184666 368529923 /nfs/dbraw/zinc/52/99/23/368529923.db2.gz KHDRCDGTSVIVBG-LLVKDONJSA-N 1 0 213.321 2.060 10 0 BEAERO CCC[C@H](C(=O)N1CC[C@H](C)[C@H](C)C1)[NH+](C)C ZINC000153732452 326111032 /nfs/dbraw/zinc/11/10/32/326111032.db2.gz FPNGPWQDPDNFJK-YNEHKIRRSA-N 1 0 240.391 2.221 10 0 BEAERO C[C@H]1CC(C(=O)[C@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000253168316 368581650 /nfs/dbraw/zinc/58/16/50/368581650.db2.gz ZQYKQLLDCDTHKI-MXWKQRLJSA-N 1 0 209.333 2.237 10 0 BEAERO C[C@@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000082994162 368730826 /nfs/dbraw/zinc/73/08/26/368730826.db2.gz ZAVOJLWISZOBMR-KXUCPTDWSA-N 1 0 239.281 2.468 10 0 BEAERO CC(C)c1nsc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000083670184 368802123 /nfs/dbraw/zinc/80/21/23/368802123.db2.gz QZNFOVGMRUQDMB-VIFPVBQESA-N 1 0 240.376 2.073 10 0 BEAERO C[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000110814997 368814972 /nfs/dbraw/zinc/81/49/72/368814972.db2.gz SNWVURNCKDCJHZ-STQMWFEESA-N 1 0 238.375 2.025 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000111638484 368860589 /nfs/dbraw/zinc/86/05/89/368860589.db2.gz OLDAPYJJPYGIII-ZIAGYGMSSA-N 1 0 241.375 2.229 10 0 BEAERO C[C@@H](c1nc2c(c(=O)[nH]1)CC(C)(C)CC2)N(C)C ZINC000114721442 368949832 /nfs/dbraw/zinc/94/98/32/368949832.db2.gz ZBKWRYXQSRLFPS-VIFPVBQESA-N 1 0 249.358 2.320 10 0 BEAERO Cc1cccc(C)c1CC1=[NH+]C[C@H](C)N1 ZINC000114909231 368958081 /nfs/dbraw/zinc/95/80/81/368958081.db2.gz WZWACNIDTFGBDC-NSHDSACASA-N 1 0 202.301 2.236 10 0 BEAERO Cc1cccc(C)c1CC1=[NH+]C[C@@H](C)N1 ZINC000114909229 368958109 /nfs/dbraw/zinc/95/81/09/368958109.db2.gz WZWACNIDTFGBDC-LLVKDONJSA-N 1 0 202.301 2.236 10 0 BEAERO Cc1ccc2c(c1)C[C@H](CC[NH+](C)C)C2=O ZINC000090502502 368987309 /nfs/dbraw/zinc/98/73/09/368987309.db2.gz NLQLXYFETJOAQI-NSHDSACASA-N 1 0 217.312 2.302 10 0 BEAERO C[C@@H]1SCCS[C@H]1[C@H]([NH3+])C1CCC1 ZINC000161460307 369095519 /nfs/dbraw/zinc/09/55/19/369095519.db2.gz BOXVJSWYJTZBQF-FXBDTBDDSA-N 1 0 217.403 2.351 10 0 BEAERO [NH3+]C[C@H](c1cccc(F)c1)C(F)(F)F ZINC000082719053 181454724 /nfs/dbraw/zinc/45/47/24/181454724.db2.gz CSWXYMAYECWDCM-MRVPVSSYSA-N 1 0 207.170 2.430 10 0 BEAERO [NH3+]Cc1c(Cl)cccc1N1CCCC1 ZINC000020469561 181471655 /nfs/dbraw/zinc/47/16/55/181471655.db2.gz WMYKHYYWNVHGON-UHFFFAOYSA-N 1 0 210.708 2.399 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H](C(=O)NCC2CCCC2)C1 ZINC000055147055 181460719 /nfs/dbraw/zinc/46/07/19/181460719.db2.gz UDXIEORLNYFJFH-QWHCGFSZSA-N 1 0 238.375 2.058 10 0 BEAERO [NH3+]CC[C@@H]1C(=O)Nc2c1c(Cl)ccc2Cl ZINC000106816934 369190481 /nfs/dbraw/zinc/19/04/81/369190481.db2.gz CHGUWPVEBBDYEP-YFKPBYRVSA-N 1 0 245.109 2.378 10 0 BEAERO C[C@@H]([NH3+])C(=O)c1ccccc1C1CCC1 ZINC000107193036 369334785 /nfs/dbraw/zinc/33/47/85/369334785.db2.gz RHWPLAXVXCAYEA-SECBINFHSA-N 1 0 203.285 2.484 10 0 BEAERO [NH3+]C[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000107154040 369310624 /nfs/dbraw/zinc/31/06/24/369310624.db2.gz BVTRCLFFUHZQMM-AWEZNQCLSA-N 1 0 213.280 2.483 10 0 BEAERO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CC=CCC2)cc1 ZINC000045631005 181481347 /nfs/dbraw/zinc/48/13/47/181481347.db2.gz QJAHQYCHUOZZFN-CYBMUJFWSA-N 1 0 244.338 2.231 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccn1 ZINC000308716593 370153417 /nfs/dbraw/zinc/15/34/17/370153417.db2.gz BPLYKXJBPZSAFL-WDEREUQCSA-N 1 0 208.330 2.065 10 0 BEAERO [NH3+]Cc1nc(COC2CCCC2)cs1 ZINC000052600773 181501633 /nfs/dbraw/zinc/50/16/33/181501633.db2.gz WEPCMYRIJWXXGS-UHFFFAOYSA-N 1 0 212.318 2.061 10 0 BEAERO CCN1CCO[C@H](C[NH2+]C2CCCCCC2)C1 ZINC000113266926 370396615 /nfs/dbraw/zinc/39/66/15/370396615.db2.gz UKUFRTATMFNXOW-CQSZACIVSA-N 1 0 240.391 2.020 10 0 BEAERO C[C@@H]1C[C@@H]1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000255373555 370507258 /nfs/dbraw/zinc/50/72/58/370507258.db2.gz INLSVMPZQMNKLL-KWCYVHTRSA-N 1 0 246.354 2.062 10 0 BEAERO CC1(C)[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@@H]2CCO[C@@H]21 ZINC000621734638 370491657 /nfs/dbraw/zinc/49/16/57/370491657.db2.gz RHFRJDTYYSVHHN-YTWAJWBKSA-N 1 0 245.313 2.435 10 0 BEAERO CCC1(CC)[N+]([O-])=C(C)C(c2ccccc2)=[N+]1O ZINC000225402590 370548226 /nfs/dbraw/zinc/54/82/26/370548226.db2.gz HIQXKYCZHBPXNT-UHFFFAOYSA-N 1 0 248.326 2.270 10 0 BEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000078642183 370583240 /nfs/dbraw/zinc/58/32/40/370583240.db2.gz NDKHNGAJTAXILL-DZGCQCFKSA-N 1 0 248.370 2.058 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000313481579 370590290 /nfs/dbraw/zinc/59/02/90/370590290.db2.gz LYPLJYMSBKBSQN-AWEZNQCLSA-N 1 0 240.391 2.461 10 0 BEAERO Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)n1 ZINC000623871539 371135559 /nfs/dbraw/zinc/13/55/59/371135559.db2.gz HGPIQNRNQQCWJI-GARJFASQSA-N 1 0 240.372 2.406 10 0 BEAERO [NH3+][C@@H](CN1CCCCCC1=O)c1ccccc1 ZINC000019277581 181545803 /nfs/dbraw/zinc/54/58/03/181545803.db2.gz URSHDPGSRGCKQO-ZDUSSCGKSA-N 1 0 232.327 2.089 10 0 BEAERO [NH3+][C@@H](COC1CCCC1)c1ccc2c(c1)OCO2 ZINC000019262126 181550993 /nfs/dbraw/zinc/55/09/93/181550993.db2.gz ZMDZTOQWEHVYMJ-LBPRGKRZSA-N 1 0 249.310 2.374 10 0 BEAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1cnccn1 ZINC000037467092 181553238 /nfs/dbraw/zinc/55/32/38/181553238.db2.gz IOELTTAKWHLMST-NSHDSACASA-N 1 0 233.702 2.373 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC000048627463 181557110 /nfs/dbraw/zinc/55/71/10/181557110.db2.gz FHSCYEIJPWBHAS-PWSUYJOCSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H](Cc1cccs1)c1ccncc1 ZINC000038128693 181557802 /nfs/dbraw/zinc/55/78/02/181557802.db2.gz OHBONXUWSHMOBH-NSHDSACASA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@@H](Cc1ccco1)c1ccc2c(c1)OCCO2 ZINC000011601673 181558593 /nfs/dbraw/zinc/55/85/93/181558593.db2.gz TURUQNHLQIGVGV-LBPRGKRZSA-N 1 0 245.278 2.293 10 0 BEAERO [NH3+][C@@H](Cc1cccs1)C[C@@H]1CCCO1 ZINC000053817720 181558860 /nfs/dbraw/zinc/55/88/60/181558860.db2.gz VBOHUKFEWZSQNH-ZJUUUORDSA-N 1 0 211.330 2.187 10 0 BEAERO [NH3+][C@@H](c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000040942051 181562908 /nfs/dbraw/zinc/56/29/08/181562908.db2.gz BHMIRARBXJHQKT-KCJUWKMLSA-N 1 0 213.227 2.001 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1Nc1ncnc2ccccc21 ZINC000038051143 181576033 /nfs/dbraw/zinc/57/60/33/181576033.db2.gz ZVORSODUIMRDQW-DGCLKSJQSA-N 1 0 242.326 2.312 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CCCCC2)C1 ZINC000055087234 181579052 /nfs/dbraw/zinc/57/90/52/181579052.db2.gz FWJDSGYQAKEHTF-CHWSQXEVSA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H](C(=O)OCc2cccs2)C1 ZINC000070502612 181580566 /nfs/dbraw/zinc/58/05/66/181580566.db2.gz FKHMPWIUIQHUCC-NXEZZACHSA-N 1 0 239.340 2.309 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1Oc1cccc(F)c1F ZINC000062614438 181584453 /nfs/dbraw/zinc/58/44/53/181584453.db2.gz BHTONSPWWFUHNJ-RKDXNWHRSA-N 1 0 213.227 2.223 10 0 BEAERO [NH3+][C@@H]1CCCc2cc(C(F)(F)F)ccc2[C@H]1O ZINC000008699494 181585555 /nfs/dbraw/zinc/58/55/55/181585555.db2.gz JVLZZZZRSOZYKK-GHMZBOCLSA-N 1 0 245.244 2.402 10 0 BEAERO [NH3+][C@@H]1CCN2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000147166081 181590066 /nfs/dbraw/zinc/59/00/66/181590066.db2.gz DOOAEYGCSVCQDK-YGRLFVJLSA-N 1 0 241.338 2.188 10 0 BEAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccccn1 ZINC000037466297 181624668 /nfs/dbraw/zinc/62/46/68/181624668.db2.gz PGRNBWXGJUZDQT-GFCCVEGCSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)C1CCCCCC1 ZINC000053715567 181642120 /nfs/dbraw/zinc/64/21/20/181642120.db2.gz SBMAJXOTDINNBS-QWHCGFSZSA-N 1 0 238.375 2.343 10 0 BEAERO [NH3+][C@H]1CCCc2cc(C(F)(F)F)ccc2[C@H]1O ZINC000008699493 181649224 /nfs/dbraw/zinc/64/92/24/181649224.db2.gz JVLZZZZRSOZYKK-WDEREUQCSA-N 1 0 245.244 2.402 10 0 BEAERO [NH3+][C@H]1CCOC[C@@H]1Cc1ccccc1Cl ZINC000082360263 181652802 /nfs/dbraw/zinc/65/28/02/181652802.db2.gz JZNPPWDTOXUAPA-JQWIXIFHSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@H]1CCSc2cc(F)c(F)cc21 ZINC000037380946 181653118 /nfs/dbraw/zinc/65/31/18/181653118.db2.gz OQZFEEAOFHNPES-QMMMGPOBSA-N 1 0 201.241 2.460 10 0 BEAERO Nc1cc(Br)c(C2CC[NH2+]CC2)o1 ZINC000106992659 181676426 /nfs/dbraw/zinc/67/64/26/181676426.db2.gz RXQHEWGYVQDDFU-UHFFFAOYSA-N 1 0 245.120 2.091 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+]CC1CC(O)C1 ZINC000624213635 371399378 /nfs/dbraw/zinc/39/93/78/371399378.db2.gz UEFUIWXJFNYMID-QFWMXSHPSA-N 1 0 211.349 2.316 10 0 BEAERO Nc1ccc(C[NH+]2CCCC2)c2ncccc12 ZINC000037271967 181705630 /nfs/dbraw/zinc/70/56/30/181705630.db2.gz POXNUWCVMWEVLF-UHFFFAOYSA-N 1 0 227.311 2.413 10 0 BEAERO Nc1ccc(F)cc1OCCC[NH+]1CCCC1 ZINC000049331648 181713169 /nfs/dbraw/zinc/71/31/69/181713169.db2.gz QSSNQNKEXGQCAJ-UHFFFAOYSA-N 1 0 238.306 2.273 10 0 BEAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000624235268 371422523 /nfs/dbraw/zinc/42/25/23/371422523.db2.gz HORSSBZVUKABGA-AEGPPILISA-N 1 0 249.354 2.104 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000624236064 371423541 /nfs/dbraw/zinc/42/35/41/371423541.db2.gz VYSCMFLZSCGSLD-CQDKDKBSSA-N 1 0 249.354 2.049 10 0 BEAERO [NH3+][C@@H]1CC[C@@](F)(C(F)(F)Br)C1 ZINC000225684399 371566267 /nfs/dbraw/zinc/56/62/67/371566267.db2.gz YXSAMTKMEZELRE-UHNVWZDZSA-N 1 0 232.043 2.194 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000225724939 371571103 /nfs/dbraw/zinc/57/11/03/371571103.db2.gz VISPCPNFTUARIZ-KXUCPTDWSA-N 1 0 214.378 2.172 10 0 BEAERO [NH3+][C@H]1CC[C@@H]1Cc1cncc(Br)c1 ZINC000161918193 371580380 /nfs/dbraw/zinc/58/03/80/371580380.db2.gz HGMLLROEXAURPJ-SCZZXKLOSA-N 1 0 241.132 2.124 10 0 BEAERO C[NH2+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000131369536 371596307 /nfs/dbraw/zinc/59/63/07/371596307.db2.gz PDIBXVWVBBHSMN-MRVPVSSYSA-N 1 0 246.079 2.241 10 0 BEAERO COc1cccc(Cl)c1[C@@H]1C[C@H]1C[NH3+] ZINC000162077083 371607549 /nfs/dbraw/zinc/60/75/49/371607549.db2.gz KCAATIXSQZSTMF-JGVFFNPUSA-N 1 0 211.692 2.411 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cccc(CO)c2)CC1 ZINC000215726968 371621774 /nfs/dbraw/zinc/62/17/74/371621774.db2.gz JKACOQKRYHORGN-CYBMUJFWSA-N 1 0 219.328 2.378 10 0 BEAERO CC[C@H]([NH2+]C)[C@H]1SCCS[C@H]1C ZINC000162182603 371626809 /nfs/dbraw/zinc/62/68/09/371626809.db2.gz MRBITFWSEBVRPB-CIUDSAMLSA-N 1 0 205.392 2.222 10 0 BEAERO CC[C@@H]1C[NH+]=C(NC[C@H]2CCCS2)S1 ZINC000230009683 371632720 /nfs/dbraw/zinc/63/27/20/371632720.db2.gz QHHAPCWDQSYKOY-RKDXNWHRSA-N 1 0 230.402 2.353 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000226329429 371646417 /nfs/dbraw/zinc/64/64/17/371646417.db2.gz WPLCBYYLSBLOPJ-NOOOWODRSA-N 1 0 209.333 2.237 10 0 BEAERO C[C@]1(C(=O)Cc2ccsc2)CCC[NH2+]C1 ZINC000226340441 371648535 /nfs/dbraw/zinc/64/85/35/371648535.db2.gz AEZGACCKPTXFIK-LBPRGKRZSA-N 1 0 223.341 2.249 10 0 BEAERO Cc1nc(O[C@@H]2CCC[C@@H]2[NH3+])sc1C ZINC000131688456 371652539 /nfs/dbraw/zinc/65/25/39/371652539.db2.gz XTGFWEKAYARNIK-DTWKUNHWSA-N 1 0 212.318 2.019 10 0 BEAERO [NH3+][C@@H]1CC[C@H](C(=O)c2cccc(F)c2)C1 ZINC000226602938 371704933 /nfs/dbraw/zinc/70/49/33/371704933.db2.gz KSRUUGJLLYHMPI-GXSJLCMTSA-N 1 0 207.248 2.136 10 0 BEAERO Nc1[nH+]c2ccccc2n1Cc1ccccn1 ZINC000020586094 181794066 /nfs/dbraw/zinc/79/40/66/181794066.db2.gz JGFGUYRUKMFFEZ-UHFFFAOYSA-N 1 0 224.267 2.062 10 0 BEAERO C[C@@]1(c2ccc(Br)o2)CC[NH2+]1 ZINC000131870932 371699878 /nfs/dbraw/zinc/69/98/78/371699878.db2.gz AJSYELXGYYBZON-QMMMGPOBSA-N 1 0 216.078 2.251 10 0 BEAERO CC(C)(C[NH3+])C(=O)c1cccc(F)c1F ZINC000226788094 371744566 /nfs/dbraw/zinc/74/45/66/371744566.db2.gz ZKWAMHKRWVCQFZ-UHFFFAOYSA-N 1 0 213.227 2.132 10 0 BEAERO C[C@@H]1[C@H](C)SCC[N@H+]1[C@@H]1CCCCC1=O ZINC000132576011 371863980 /nfs/dbraw/zinc/86/39/80/371863980.db2.gz LLLIYYDNPXRMSY-OUAUKWLOSA-N 1 0 227.373 2.324 10 0 BEAERO C[NH2+][C@H](c1ccoc1)c1scnc1C ZINC000162847867 371866229 /nfs/dbraw/zinc/86/62/29/371866229.db2.gz YJFPFKUCEXKUJF-SECBINFHSA-N 1 0 208.286 2.353 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1OCc1ccccc1 ZINC000230196978 371869561 /nfs/dbraw/zinc/86/95/61/371869561.db2.gz YBMOKITWBRYVCY-WCQYABFASA-N 1 0 205.301 2.201 10 0 BEAERO Cc1sccc1[C@@H]([NH3+])[C@@H]1CSCCO1 ZINC000227798801 371939550 /nfs/dbraw/zinc/93/95/50/371939550.db2.gz COIXJCCHQBVZLW-VHSXEESVSA-N 1 0 229.370 2.188 10 0 BEAERO Cc1sccc1[C@@H]([NH3+])[C@H]1CSCCO1 ZINC000227798812 371939668 /nfs/dbraw/zinc/93/96/68/371939668.db2.gz COIXJCCHQBVZLW-NXEZZACHSA-N 1 0 229.370 2.188 10 0 BEAERO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000627727944 371916241 /nfs/dbraw/zinc/91/62/41/371916241.db2.gz WMHKZZPDATVEMQ-NWDGAFQWSA-N 1 0 234.343 2.170 10 0 BEAERO C[C@@H](CNC1=[NH+]CCS1)C(C)(C)C ZINC000163085445 371925503 /nfs/dbraw/zinc/92/55/03/371925503.db2.gz JCDXSBGLOYFERX-QMMMGPOBSA-N 1 0 200.351 2.361 10 0 BEAERO Cc1sccc1[C@](O)(C[NH3+])C(C)(C)C ZINC000227751441 371929737 /nfs/dbraw/zinc/92/97/37/371929737.db2.gz JVZSADYJYHKRCO-LLVKDONJSA-N 1 0 213.346 2.249 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1sccc1Br ZINC000228026778 371977431 /nfs/dbraw/zinc/97/74/31/371977431.db2.gz PEEVPGYGXOFNEI-RQJHMYQMSA-N 1 0 248.145 2.299 10 0 BEAERO Cc1sccc1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000227883565 371954821 /nfs/dbraw/zinc/95/48/21/371954821.db2.gz YFOQVIBGIFZPPS-SSDOTTSWSA-N 1 0 209.314 2.095 10 0 BEAERO Cc1cc(Br)ccc1[C@H](O)[C@H](C)[NH3+] ZINC000217449689 371956801 /nfs/dbraw/zinc/95/68/01/371956801.db2.gz FYBSQOLOEILTQL-OIBJUYFYSA-N 1 0 244.132 2.138 10 0 BEAERO CC(C)C(=O)C[N@@H+]1CCSC(C)(C)C1 ZINC000133377974 372033580 /nfs/dbraw/zinc/03/35/80/372033580.db2.gz GQBPONMYQZCEAY-UHFFFAOYSA-N 1 0 215.362 2.039 10 0 BEAERO Cc1csc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000306552267 372035406 /nfs/dbraw/zinc/03/54/06/372035406.db2.gz KEOWTRGEHLTNAZ-IUCAKERBSA-N 1 0 211.334 2.133 10 0 BEAERO Cc1cc(F)ccc1C(=O)[C@H]([NH3+])C1CC1 ZINC000306559057 372036094 /nfs/dbraw/zinc/03/60/94/372036094.db2.gz AFUWMJFLXMVCPW-LLVKDONJSA-N 1 0 207.248 2.054 10 0 BEAERO CC(C)(C)c1nsc(C(C)(C)C[NH3+])n1 ZINC000307333473 372113557 /nfs/dbraw/zinc/11/35/57/372113557.db2.gz BHOKRQRFWXJXEK-UHFFFAOYSA-N 1 0 213.350 2.072 10 0 BEAERO CC1(C)CCC[C@H]1C[NH+]1CCC(=O)CC1 ZINC000306875760 372075306 /nfs/dbraw/zinc/07/53/06/372075306.db2.gz HEAPVIGGFBCXHA-NSHDSACASA-N 1 0 209.333 2.478 10 0 BEAERO C[C@@H]1CSC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307160785 372089178 /nfs/dbraw/zinc/08/91/78/372089178.db2.gz FCLUGKNIPQLQCA-PWSUYJOCSA-N 1 0 249.383 2.052 10 0 BEAERO C[C@@H]1CSC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307160786 372089316 /nfs/dbraw/zinc/08/93/16/372089316.db2.gz FCLUGKNIPQLQCA-ZYHUDNBSSA-N 1 0 249.383 2.052 10 0 BEAERO C[C@@H]1C[C@@H]2[NH2+]C(C)(C)CS[C@@H]2[C@H](C)O1 ZINC000133717369 372094466 /nfs/dbraw/zinc/09/44/66/372094466.db2.gz BSOLUVDUNCLHFZ-XFWSIPNHSA-N 1 0 215.362 2.036 10 0 BEAERO Cc1cc(F)c(Br)cc1NC(N)=[NH2+] ZINC000232107343 372105005 /nfs/dbraw/zinc/10/50/05/372105005.db2.gz WFWOLUIZKZLQIS-UHFFFAOYSA-N 1 0 246.083 2.202 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]1)OC1CCCCC1 ZINC000042164194 182028051 /nfs/dbraw/zinc/02/80/51/182028051.db2.gz VSVBTSBIYRNGPS-SNVBAGLBSA-N 1 0 211.305 2.004 10 0 BEAERO Cc1nc(C[C@H]([NH3+])c2ccoc2)cs1 ZINC000068980115 373100072 /nfs/dbraw/zinc/10/00/72/373100072.db2.gz BOSFMSWVQQUYKQ-JTQLQIEISA-N 1 0 208.286 2.287 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@@H]2CCCC[C@H]2C1 ZINC000245224858 373198612 /nfs/dbraw/zinc/19/86/12/373198612.db2.gz GRAYTPDGPOMPSD-KBPBESRZSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@@H]([NH3+])c1ccc(-c2ccnn2C)cc1 ZINC000069466953 373287169 /nfs/dbraw/zinc/28/71/69/373287169.db2.gz UAOUOKOESUBURX-SECBINFHSA-N 1 0 201.273 2.107 10 0 BEAERO C[C@@H](C[NH3+])Nc1ccc(Br)cc1 ZINC000040541440 373461687 /nfs/dbraw/zinc/46/16/87/373461687.db2.gz MJXVVNCWYIJJTD-ZETCQYMHSA-N 1 0 229.121 2.208 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCCC1CCCC1 ZINC000178408802 205635288 /nfs/dbraw/zinc/63/52/88/205635288.db2.gz NESAGAWCBOBOLE-STQMWFEESA-N 1 0 238.375 2.200 10 0 BEAERO Cc1ccsc1[C@H](C)N1CC[C@H]([NH3+])C1 ZINC000069637148 373564111 /nfs/dbraw/zinc/56/41/11/373564111.db2.gz POCVEWWMLCNKMB-UWVGGRQHSA-N 1 0 210.346 2.151 10 0 BEAERO CC1(C)C[N@@H+]([C@H]2CCCC[C@H]2O)CCS1 ZINC000245612644 373679986 /nfs/dbraw/zinc/67/99/86/373679986.db2.gz LRPZXOWUEXVHFH-WDEREUQCSA-N 1 0 229.389 2.117 10 0 BEAERO NC(=[NH2+])Sc1ccc(Br)cc1 ZINC000069763793 373722839 /nfs/dbraw/zinc/72/28/39/373722839.db2.gz JUBPAQINVBEMQS-UHFFFAOYSA-N 1 0 231.118 2.435 10 0 BEAERO CCc1ccc([C@@H]2[C@@H]([NH3+])CCN2C)s1 ZINC000069799059 373807827 /nfs/dbraw/zinc/80/78/27/373807827.db2.gz QGKVGOILMQULDH-ONGXEEELSA-N 1 0 210.346 2.014 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](c2cccc(CO)c2)C1 ZINC000142687358 373832775 /nfs/dbraw/zinc/83/27/75/373832775.db2.gz AHASWQJKDFQCHI-AWEZNQCLSA-N 1 0 219.328 2.377 10 0 BEAERO O[C@@H](c1cccs1)[C@H]1CCCCC[NH2+]1 ZINC000069843342 373875382 /nfs/dbraw/zinc/87/53/82/373875382.db2.gz LEYSGLMZJUZZJY-MWLCHTKSSA-N 1 0 211.330 2.314 10 0 BEAERO C[C@H]([NH3+])COc1ccc(F)cc1Cl ZINC000041212404 374120599 /nfs/dbraw/zinc/12/05/99/374120599.db2.gz DRSUVVDTVOXSPR-LURJTMIESA-N 1 0 203.644 2.205 10 0 BEAERO Cc1csc([C@@H](C)NC(=[NH2+])C2CC2)n1 ZINC000070735126 374181360 /nfs/dbraw/zinc/18/13/60/374181360.db2.gz MIBGTKGOIOMLEM-SSDOTTSWSA-N 1 0 209.318 2.489 10 0 BEAERO C[C@H](NC1=[NH+]C[C@H](C)S1)c1nccs1 ZINC000070734418 374183978 /nfs/dbraw/zinc/18/39/78/374183978.db2.gz OXJNNLINXRDDJW-BQBZGAKWSA-N 1 0 227.358 2.285 10 0 BEAERO [NH3+]C1(COc2nccs2)CCCCC1 ZINC000070879365 374219802 /nfs/dbraw/zinc/21/98/02/374219802.db2.gz HNMMIJWVTRLEOS-UHFFFAOYSA-N 1 0 212.318 2.184 10 0 BEAERO [NH3+][C@H](c1nc2c(s1)CSCC2)C1CC1 ZINC000042335337 374262189 /nfs/dbraw/zinc/26/21/89/374262189.db2.gz CEAZGWUELYVREX-VIFPVBQESA-N 1 0 226.370 2.342 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])c1ncc(Br)cn1 ZINC000070948331 374234496 /nfs/dbraw/zinc/23/44/96/374234496.db2.gz RNSXRDFMCOXHSY-ZETCQYMHSA-N 1 0 244.136 2.285 10 0 BEAERO CCN1C[C@H](C)[NH2+]C[C@@H]1c1cccs1 ZINC000083346379 170035011 /nfs/dbraw/zinc/03/50/11/170035011.db2.gz FZGMRMMTWOPYJU-VHSXEESVSA-N 1 0 210.346 2.103 10 0 BEAERO O=C(Nc1cc(F)ccc1F)[C@H]1CCCC[NH2+]1 ZINC000019408800 182349603 /nfs/dbraw/zinc/34/96/03/182349603.db2.gz HVROYXHSOVFQPM-SNVBAGLBSA-N 1 0 240.253 2.045 10 0 BEAERO O=C(Nc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000004373512 182376146 /nfs/dbraw/zinc/37/61/46/182376146.db2.gz PUVFYGQJWJOYKQ-FUNVUKJBSA-N 1 0 245.326 2.091 10 0 BEAERO CCCC[NH2+]CCn1ccc(=O)c2ccccc21 ZINC000053542091 168867933 /nfs/dbraw/zinc/86/79/33/168867933.db2.gz LPHRTNHVWSRYFY-UHFFFAOYSA-N 1 0 244.338 2.391 10 0 BEAERO CCCC[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000020122355 168867939 /nfs/dbraw/zinc/86/79/39/168867939.db2.gz HNISRZWZGOHFLS-NSHDSACASA-N 1 0 210.321 2.272 10 0 BEAERO O=C(Nc1cccc2c1C[NH2+]CC2)C1CCC1 ZINC000123531125 182373469 /nfs/dbraw/zinc/37/34/69/182373469.db2.gz ROMHFBPCCVDXMW-UHFFFAOYSA-N 1 0 230.311 2.071 10 0 BEAERO CCCC[NH2+]C[C@@H](O)c1ccc(C)c(N)c1 ZINC000098124772 168868545 /nfs/dbraw/zinc/86/85/45/168868545.db2.gz CZRKFNLZELFFQR-CYBMUJFWSA-N 1 0 222.332 2.000 10 0 BEAERO CCCC[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000035229566 168873869 /nfs/dbraw/zinc/87/38/69/168873869.db2.gz VFQWCIXMTFMJRN-NSHDSACASA-N 1 0 236.363 2.455 10 0 BEAERO CC[NH2+][C@@H](C)COc1ccccc1OCC ZINC000044050140 170139763 /nfs/dbraw/zinc/13/97/63/170139763.db2.gz FUJNKKMSTFCHNC-NSHDSACASA-N 1 0 223.316 2.462 10 0 BEAERO OC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041047065 183027861 /nfs/dbraw/zinc/02/78/61/183027861.db2.gz GRGSFIPWMCARJQ-RQRKLZJJSA-N 1 0 209.333 2.068 10 0 BEAERO OC1(C[NH2+]CC[C@@H]2CCCO2)CCCCCC1 ZINC000038096735 183018005 /nfs/dbraw/zinc/01/80/05/183018005.db2.gz QOQSUWDJAYRSEB-ZDUSSCGKSA-N 1 0 241.375 2.230 10 0 BEAERO OC1(Cc2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000041289530 183021111 /nfs/dbraw/zinc/02/11/11/183021111.db2.gz FDOOLLPSZDOYES-UHFFFAOYSA-N 1 0 243.709 2.136 10 0 BEAERO OCC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000038343351 183041584 /nfs/dbraw/zinc/04/15/84/183041584.db2.gz NNUVOEBIDCULPG-GOOCMWNKSA-N 1 0 231.339 2.422 10 0 BEAERO OCCC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000336688302 183042316 /nfs/dbraw/zinc/04/23/16/183042316.db2.gz VBIGTLQIXCQKTO-NWDGAFQWSA-N 1 0 229.339 2.267 10 0 BEAERO CCCC[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969709 168970797 /nfs/dbraw/zinc/97/07/97/168970797.db2.gz SHYQBXAHGTYLOO-LLVKDONJSA-N 1 0 218.300 2.371 10 0 BEAERO OCCCCC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000374563441 183045992 /nfs/dbraw/zinc/04/59/92/183045992.db2.gz ZYMRHQKDBUTSKN-STQMWFEESA-N 1 0 211.349 2.414 10 0 BEAERO OCCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000171065473 183048556 /nfs/dbraw/zinc/04/85/56/183048556.db2.gz KCGZPLGEELQSNI-NSHDSACASA-N 1 0 240.372 2.443 10 0 BEAERO OCC1(C[NH+]2CCCCC2)CCCCC1 ZINC000049815046 183035274 /nfs/dbraw/zinc/03/52/74/183035274.db2.gz RYFLVOVJHKCSCY-UHFFFAOYSA-N 1 0 211.349 2.415 10 0 BEAERO OC[C@@H]1CCCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000374054684 183116302 /nfs/dbraw/zinc/11/63/02/183116302.db2.gz ZRBZIEVYXWPYMQ-CHWSQXEVSA-N 1 0 209.333 2.190 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000123437270 183117926 /nfs/dbraw/zinc/11/79/26/183117926.db2.gz FITMXIPXAMQNST-MELADBBJSA-N 1 0 223.360 2.483 10 0 BEAERO OC[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250849801 183118323 /nfs/dbraw/zinc/11/83/23/183118323.db2.gz LCDJWDVRMPBQOG-TZMCWYRMSA-N 1 0 231.339 2.031 10 0 BEAERO OC[C@H]([NH2+]C1CC1)c1ccccc1Cl ZINC000038124296 183140133 /nfs/dbraw/zinc/14/01/33/183140133.db2.gz JPMSTSOJKOVCNH-NSHDSACASA-N 1 0 211.692 2.125 10 0 BEAERO CCCCc1ccc([C@@H](O)C[NH2+]C)cc1 ZINC000041216522 169023720 /nfs/dbraw/zinc/02/37/20/169023720.db2.gz VPDIZLZDPOCPFG-ZDUSSCGKSA-N 1 0 207.317 2.282 10 0 BEAERO CCCCc1ccc([C@H](C)[C@H](O)C[NH3+])cc1 ZINC000041238452 169023725 /nfs/dbraw/zinc/02/37/25/169023725.db2.gz YFEAQHQTMYQTAB-SMDDNHRTSA-N 1 0 221.344 2.452 10 0 BEAERO COCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220932191 134314929 /nfs/dbraw/zinc/31/49/29/134314929.db2.gz YJZBCRREMBCXNZ-WPRPVWTQSA-N 1 0 212.293 2.059 10 0 BEAERO CCCN(C(=O)[C@@H]1CC[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000055126343 169045261 /nfs/dbraw/zinc/04/52/61/169045261.db2.gz ZSCFFMYEVAWLPU-RWMBFGLXSA-N 1 0 240.391 2.397 10 0 BEAERO OC[C@H]1CCCC[N@H+](CC2CCCC2)C1 ZINC000363478977 183146857 /nfs/dbraw/zinc/14/68/57/183146857.db2.gz DYKOGSTVENWDKF-ZDUSSCGKSA-N 1 0 211.349 2.271 10 0 BEAERO OC[C@H]1CCCC[N@H+](Cc2ccsc2)C1 ZINC000377235216 183147634 /nfs/dbraw/zinc/14/76/34/183147634.db2.gz CAKZBGKJXZWSNW-NSHDSACASA-N 1 0 225.357 2.343 10 0 BEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000219006038 183147984 /nfs/dbraw/zinc/14/79/84/183147984.db2.gz BWOUVFMMOUGGJL-TZMCWYRMSA-N 1 0 237.318 2.466 10 0 BEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000219011778 183148020 /nfs/dbraw/zinc/14/80/20/183148020.db2.gz IDDOLDGPUGJXJA-TZMCWYRMSA-N 1 0 237.318 2.466 10 0 BEAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000164262452 183148469 /nfs/dbraw/zinc/14/84/69/183148469.db2.gz IXRQEHVXCWURIJ-ZYHUDNBSSA-N 1 0 225.357 2.389 10 0 BEAERO CCCN(C(=O)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000037470222 169041187 /nfs/dbraw/zinc/04/11/87/169041187.db2.gz YTMLRABRIXVYMP-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CCCN(C(=O)C(CC)CC)[C@@H]1CCC[NH2+]C1 ZINC000037541423 169041366 /nfs/dbraw/zinc/04/13/66/169041366.db2.gz ZNBNISXHDBGYDW-CYBMUJFWSA-N 1 0 240.391 2.413 10 0 BEAERO O[C@@H](C[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000032012596 183178051 /nfs/dbraw/zinc/17/80/51/183178051.db2.gz WNNDAOKHNCFOLI-NSHDSACASA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H](C[NH2+]C1CCCC1)c1cccs1 ZINC000032012586 183179347 /nfs/dbraw/zinc/17/93/47/183179347.db2.gz QHJWGEIWYZWYAX-JTQLQIEISA-N 1 0 211.330 2.314 10 0 BEAERO O[C@@H](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000041282869 183183394 /nfs/dbraw/zinc/18/33/94/183183394.db2.gz TYUUFWJVVYZKLI-ZDUSSCGKSA-N 1 0 239.746 2.243 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000037164923 183197044 /nfs/dbraw/zinc/19/70/44/183197044.db2.gz VEWJZJXSMJXHGI-WDEREUQCSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@@H]1CC[C@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000307402980 183204617 /nfs/dbraw/zinc/20/46/17/183204617.db2.gz BDJCYWYFEWSWOC-DTWKUNHWSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@@H]1CC[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC000307658618 183205302 /nfs/dbraw/zinc/20/53/02/183205302.db2.gz AQCOSOFKRGITSL-JGVFFNPUSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@@H](c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000041225882 183185534 /nfs/dbraw/zinc/18/55/34/183185534.db2.gz NULYGTQKFDJDFT-QWRGUYRKSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]C1 ZINC000036162442 183185852 /nfs/dbraw/zinc/18/58/52/183185852.db2.gz WQJYNBDNKQSQIX-GJZGRUSLSA-N 1 0 231.339 2.208 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC000077204110 183188244 /nfs/dbraw/zinc/18/82/44/183188244.db2.gz XPTJXJABNOQGLP-TZMCWYRMSA-N 1 0 237.318 2.466 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000037691248 183188945 /nfs/dbraw/zinc/18/89/45/183188945.db2.gz BXEXGTAVLPNZGX-NWDGAFQWSA-N 1 0 225.357 2.184 10 0 BEAERO O[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)CC1 ZINC000293129604 183191545 /nfs/dbraw/zinc/19/15/45/183191545.db2.gz MSFLIBBDGWVESB-ZIAGYGMSSA-N 1 0 231.339 2.173 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000193116947 183195295 /nfs/dbraw/zinc/19/52/95/183195295.db2.gz YTRPCQMKXCYECN-DTWKUNHWSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000050683328 183195326 /nfs/dbraw/zinc/19/53/26/183195326.db2.gz RCBFYGSNOSPXKE-NWDGAFQWSA-N 1 0 225.719 2.343 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000070599986 183195431 /nfs/dbraw/zinc/19/54/31/183195431.db2.gz KGLZHZRUSWCCCQ-DTWKUNHWSA-N 1 0 231.748 2.405 10 0 BEAERO CCC[N@H+](C)C[C@H]1CNc2ccccc2O1 ZINC000037098561 169077890 /nfs/dbraw/zinc/07/78/90/169077890.db2.gz WAQUWQNXMJRJFX-LLVKDONJSA-N 1 0 220.316 2.201 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000084231594 183195579 /nfs/dbraw/zinc/19/55/79/183195579.db2.gz XQPZHUQZLRRDGK-DGCLKSJQSA-N 1 0 223.291 2.076 10 0 BEAERO O[C@H]1CCCCC[C@H]1[NH2+]CC1CCCC1 ZINC000037886815 183231965 /nfs/dbraw/zinc/23/19/65/183231965.db2.gz RNCOOCJHOBQTEL-OLZOCXBDSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@H](C[NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000037873457 183223216 /nfs/dbraw/zinc/22/32/16/183223216.db2.gz MQUZBJLTQOMPTB-GFCCVEGCSA-N 1 0 225.719 2.373 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000037490599 183231130 /nfs/dbraw/zinc/23/11/30/183231130.db2.gz JPAIYTGSQOJXTB-KBPBESRZSA-N 1 0 219.328 2.122 10 0 BEAERO O[C@H](c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000032015117 183228377 /nfs/dbraw/zinc/22/83/77/183228377.db2.gz UAJJHEOQQHUXAG-CMPLNLGQSA-N 1 0 225.719 2.373 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(C2CC2)CC1 ZINC000368336717 183231511 /nfs/dbraw/zinc/23/15/11/183231511.db2.gz PWFHACONTIYIOK-KBPBESRZSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@H](c1c[nH]c2ccc(F)cc21)C1CC[NH2+]CC1 ZINC000104422568 183228973 /nfs/dbraw/zinc/22/89/73/183228973.db2.gz AFTUVDCLQBUXGH-AWEZNQCLSA-N 1 0 248.301 2.340 10 0 BEAERO O[C@H](c1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000041218389 183229157 /nfs/dbraw/zinc/22/91/57/183229157.db2.gz PTPFYOFEDJEFPG-NWDGAFQWSA-N 1 0 209.264 2.001 10 0 BEAERO O[C@H](c1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000041292038 183229791 /nfs/dbraw/zinc/22/97/91/183229791.db2.gz PBBJMOPBMAWFGO-WDEREUQCSA-N 1 0 245.244 2.491 10 0 BEAERO CCCN(C)[C@H](C[NH3+])c1cccc(OCC)c1 ZINC000020226205 169088862 /nfs/dbraw/zinc/08/88/62/169088862.db2.gz SGGNGKILTHKGFC-CQSZACIVSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@@H]1C[C@H](C2CC[NH2+]CC2)c2ccccc21 ZINC000003621229 183211435 /nfs/dbraw/zinc/21/14/35/183211435.db2.gz LILLUMTXZGEICG-ZIAGYGMSSA-N 1 0 217.312 2.207 10 0 BEAERO O[C@@H]1C[C@@H](C2CC[NH2+]CC2)c2ccccc21 ZINC000003621233 183211778 /nfs/dbraw/zinc/21/17/78/183211778.db2.gz LILLUMTXZGEICG-UONOGXRCSA-N 1 0 217.312 2.207 10 0 BEAERO O[C@@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCCC1 ZINC000044118093 183215017 /nfs/dbraw/zinc/21/50/17/183215017.db2.gz XCDLIDGAXCYDRT-DZGCQCFKSA-N 1 0 247.338 2.357 10 0 BEAERO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000371473119 183215268 /nfs/dbraw/zinc/21/52/68/183215268.db2.gz LIJHPGVAZOMOOV-FVQBIDKESA-N 1 0 243.350 2.377 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193116961 183237889 /nfs/dbraw/zinc/23/78/89/183237889.db2.gz OFWUAUGDTIVBFC-ZJUUUORDSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000230702689 183237938 /nfs/dbraw/zinc/23/79/38/183237938.db2.gz FFVYBJFRCZXZLN-JSGCOSHPSA-N 1 0 244.338 2.419 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC000084228479 183238117 /nfs/dbraw/zinc/23/81/17/183238117.db2.gz LVLGNZXDOOKWPR-AAEUAGOBSA-N 1 0 223.291 2.076 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@@H+](C1CCC1)CC2 ZINC000245606622 183253410 /nfs/dbraw/zinc/25/34/10/183253410.db2.gz MKHITIKHFGUAQX-YPMHNXCESA-N 1 0 209.333 2.166 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000037691245 183232516 /nfs/dbraw/zinc/23/25/16/183232516.db2.gz BXEXGTAVLPNZGX-NEPJUHHUSA-N 1 0 225.357 2.184 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCc2ccsc2C1 ZINC000132473991 183232687 /nfs/dbraw/zinc/23/26/87/183232687.db2.gz KPXVISRMERGSHH-NEPJUHHUSA-N 1 0 237.368 2.410 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000037490887 183233663 /nfs/dbraw/zinc/23/36/63/183233663.db2.gz BPAIEUUQGPYDQR-OLZOCXBDSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@H]1CCC[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000053882198 183236315 /nfs/dbraw/zinc/23/63/15/183236315.db2.gz DLPLGUWGIGSFGZ-CABCVRRESA-N 1 0 231.339 2.206 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000037164803 183236603 /nfs/dbraw/zinc/23/66/03/183236603.db2.gz IBSYYASHXSKATR-UWVGGRQHSA-N 1 0 211.330 2.141 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000089164360 183237728 /nfs/dbraw/zinc/23/77/28/183237728.db2.gz CMIMLNNZWPCPDS-GWCFXTLKSA-N 1 0 241.281 2.215 10 0 BEAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C1CCCC1 ZINC000019883608 183281480 /nfs/dbraw/zinc/28/14/80/183281480.db2.gz NDOGHCOADBOSGL-GFCCVEGCSA-N 1 0 219.284 2.358 10 0 BEAERO CCC[NH+](CCC)[C@@H]1CCc2c[nH]nc2C1 ZINC000027553786 169151092 /nfs/dbraw/zinc/15/10/92/169151092.db2.gz BEXFLNUPTHLMNQ-GFCCVEGCSA-N 1 0 221.348 2.389 10 0 BEAERO Oc1ccc(CC[NH2+]Cc2ccc[nH]2)cc1 ZINC000051789497 183268770 /nfs/dbraw/zinc/26/87/70/183268770.db2.gz ZJTRLYVCWJCHRT-UHFFFAOYSA-N 1 0 216.284 2.053 10 0 BEAERO Oc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000043476949 183270059 /nfs/dbraw/zinc/27/00/59/183270059.db2.gz KLEPQEAOCDHQMY-JTQLQIEISA-N 1 0 241.718 2.314 10 0 BEAERO CCC[NH+](CCC)[C@H](CN)CC(C)C ZINC000022177493 169151838 /nfs/dbraw/zinc/15/18/38/169151838.db2.gz KVDAQIKZKNRYOY-LBPRGKRZSA-N 1 0 200.370 2.482 10 0 BEAERO CCC[N@H+](CC)[C@@H]1Cc2ccccc2[C@@H]1N ZINC000037094992 169131175 /nfs/dbraw/zinc/13/11/75/169131175.db2.gz DPRYTAVVKRJRDF-KGLIPLIRSA-N 1 0 218.344 2.343 10 0 BEAERO CCCN(CC)c1c(C[NH2+]CC)c(C)nn1C ZINC000034824828 169132181 /nfs/dbraw/zinc/13/21/81/169132181.db2.gz CGSRTFKURAUFLA-UHFFFAOYSA-N 1 0 238.379 2.074 10 0 BEAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C1CCCC1 ZINC000019883607 183281782 /nfs/dbraw/zinc/28/17/82/183281782.db2.gz NDOGHCOADBOSGL-LBPRGKRZSA-N 1 0 219.284 2.358 10 0 BEAERO Oc1ccc2c(c1)CC[C@]1(CCC[NH2+]1)C2 ZINC000169315962 183279971 /nfs/dbraw/zinc/27/99/71/183279971.db2.gz BKYFTICVRYAWGL-CYBMUJFWSA-N 1 0 203.285 2.003 10 0 BEAERO Oc1ccc2c(c1)[C@@H](C1CCOCC1)[NH2+]CC2 ZINC000083662161 183281926 /nfs/dbraw/zinc/28/19/26/183281926.db2.gz UUMDCHDLVURORK-CQSZACIVSA-N 1 0 233.311 2.006 10 0 BEAERO CCC[NH+](CCC)C[C@@H](N)[C@@H](C)CC ZINC000039141050 169147090 /nfs/dbraw/zinc/14/70/90/169147090.db2.gz YJLWEGPFWMDFOF-NWDGAFQWSA-N 1 0 200.370 2.482 10 0 BEAERO Oc1ccc2c(c1Cl)OCC21CC[NH2+]CC1 ZINC000113564916 183282541 /nfs/dbraw/zinc/28/25/41/183282541.db2.gz KAHPLIZFBIIILM-UHFFFAOYSA-N 1 0 239.702 2.059 10 0 BEAERO CCC[N@H+](CCCOC)C[C@@H]1CCCCO1 ZINC000106866834 169156080 /nfs/dbraw/zinc/15/60/80/169156080.db2.gz HCZBYGKDPQMPOA-ZDUSSCGKSA-N 1 0 229.364 2.304 10 0 BEAERO Oc1cccc([C@H]2C[NH+]3CCC2CC3)c1 ZINC000029247268 183293732 /nfs/dbraw/zinc/29/37/32/183293732.db2.gz XJFROBCJDBLYRU-ZDUSSCGKSA-N 1 0 203.285 2.201 10 0 BEAERO CCC[N@H+](CCO)C[C@@](C)(CC)C[NH2+]C(C)C ZINC000051252811 169165629 /nfs/dbraw/zinc/16/56/29/169165629.db2.gz NRXOLQQEJJSSRR-AWEZNQCLSA-N 1 0 244.423 2.105 10 0 BEAERO CCC[N@@H+]1CC(C)(C)NC[C@H]1CC(C)C ZINC000062570978 169185342 /nfs/dbraw/zinc/18/53/42/169185342.db2.gz BYLSYDYBPGWZQP-GFCCVEGCSA-N 1 0 212.381 2.495 10 0 BEAERO CCC[NH+]1CCC([C@@H](C)Nc2cn[nH]c2)CC1 ZINC000035763536 169191359 /nfs/dbraw/zinc/19/13/59/169191359.db2.gz FFFWDELQFIULHX-LLVKDONJSA-N 1 0 236.363 2.332 10 0 BEAERO c1c[nH]c(C[NH2+]C23CC4CC(CC(C4)C2)C3)n1 ZINC000049714459 183324621 /nfs/dbraw/zinc/32/46/21/183324621.db2.gz FPMOIIOSCZJELC-UHFFFAOYSA-N 1 0 231.343 2.468 10 0 BEAERO CCC[N@@H+]1CCC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000013738263 169195698 /nfs/dbraw/zinc/19/56/98/169195698.db2.gz CJCQHAUDAPOVBD-CQSZACIVSA-N 1 0 246.354 2.375 10 0 BEAERO c1[nH]c(CC2CC[NH2+]CC2)nc1-c1ccncc1 ZINC000038076110 183329255 /nfs/dbraw/zinc/32/92/55/183329255.db2.gz UPWOGAHUPWRKOR-UHFFFAOYSA-N 1 0 242.326 2.014 10 0 BEAERO c1cc(C[N@@H+]2CCCSCC2)ccn1 ZINC000129469078 183341755 /nfs/dbraw/zinc/34/17/55/183341755.db2.gz YCHXFGOYGAZPGH-UHFFFAOYSA-N 1 0 208.330 2.021 10 0 BEAERO CCCNC(=O)C[C@H](C[NH3+])c1cc(C)ccc1C ZINC000076634365 169232192 /nfs/dbraw/zinc/23/21/92/169232192.db2.gz DKHYZLFROCAJQR-CYBMUJFWSA-N 1 0 248.370 2.262 10 0 BEAERO CCCNC(=O)C[C@H](C[NH3+])c1ccc(C)cc1C ZINC000076634371 169232406 /nfs/dbraw/zinc/23/24/06/169232406.db2.gz FQDQVKZBCVTPKQ-CYBMUJFWSA-N 1 0 248.370 2.262 10 0 BEAERO CCCN1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059471 169208025 /nfs/dbraw/zinc/20/80/25/169208025.db2.gz KEWOLNTYWRFWMG-UHFFFAOYSA-N 1 0 239.388 2.105 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@H]2c1ccncc1 ZINC000066054609 183364507 /nfs/dbraw/zinc/36/45/07/183364507.db2.gz RMRXFOSAHNDPSB-GFCCVEGCSA-N 1 0 216.309 2.378 10 0 BEAERO CCC[NH2+]CC(=O)c1cc(C)ccc1OC ZINC000049818347 169255875 /nfs/dbraw/zinc/25/58/75/169255875.db2.gz ZQEWFASRGSAHQL-UHFFFAOYSA-N 1 0 221.300 2.186 10 0 BEAERO c1cc2c(c([C@@H]3CCCC[NH2+]3)c1)OCC2 ZINC000082925813 183365652 /nfs/dbraw/zinc/36/56/52/183365652.db2.gz VFFZSEJMRKCILF-LBPRGKRZSA-N 1 0 203.285 2.436 10 0 BEAERO CCC[NH2+]CCC(=O)c1ccc(C)c(N)c1 ZINC000098124628 169256424 /nfs/dbraw/zinc/25/64/24/169256424.db2.gz HOTVOYLBVDBUIW-UHFFFAOYSA-N 1 0 220.316 2.150 10 0 BEAERO CCC[NH2+]CCC(=O)c1ccc(F)cc1 ZINC000049814521 169256934 /nfs/dbraw/zinc/25/69/34/169256934.db2.gz RJAKJBLAUMZCGI-UHFFFAOYSA-N 1 0 209.264 2.398 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1cccc(OC)c1 ZINC000072417542 169257424 /nfs/dbraw/zinc/25/74/24/169257424.db2.gz XPXULRWOVHWIHC-UHFFFAOYSA-N 1 0 236.315 2.023 10 0 BEAERO c1cc2c(c([C@@H]3CCC[NH2+]C3)c1)OCCC2 ZINC000082977057 183367226 /nfs/dbraw/zinc/36/72/26/183367226.db2.gz CVSXAQBBBVXPAQ-GFCCVEGCSA-N 1 0 217.312 2.479 10 0 BEAERO CCC[NH2+]CCN(C)Cc1ccc(F)cc1F ZINC000053661197 169258209 /nfs/dbraw/zinc/25/82/09/169258209.db2.gz KWONQIQRIQZCKO-UHFFFAOYSA-N 1 0 242.313 2.396 10 0 BEAERO CCC[NH2+]CCN1CCc2ccccc2C1 ZINC000044380307 169258495 /nfs/dbraw/zinc/25/84/95/169258495.db2.gz VRXMFQSINHSNBL-UHFFFAOYSA-N 1 0 218.344 2.044 10 0 BEAERO CCC[NH2+]CCCc1cnn(-c2ccccn2)c1 ZINC000054670242 169258580 /nfs/dbraw/zinc/25/85/80/169258580.db2.gz OMFRMTFGIAFCGV-UHFFFAOYSA-N 1 0 244.342 2.200 10 0 BEAERO CCC[NH2+]CCN(C)Cc1cc(F)ccc1F ZINC000053661182 169258590 /nfs/dbraw/zinc/25/85/90/169258590.db2.gz FBNUESDHQOJJRW-UHFFFAOYSA-N 1 0 242.313 2.396 10 0 BEAERO c1cc(C[NH2+]C[C@H]2CCCCO2)cc2c1OCO2 ZINC000049633128 183367926 /nfs/dbraw/zinc/36/79/26/183367926.db2.gz SIINUXKSHGADGQ-GFCCVEGCSA-N 1 0 249.310 2.074 10 0 BEAERO CCC[NH2+]CCn1c(C)nc2ccccc21 ZINC000020186705 169261214 /nfs/dbraw/zinc/26/12/14/169261214.db2.gz HGLOSMHQHOOOIR-UHFFFAOYSA-N 1 0 217.316 2.344 10 0 BEAERO CCC[NH2+]CC[C@H](O)c1ccc(Cl)c(N)c1 ZINC000098126704 169261546 /nfs/dbraw/zinc/26/15/46/169261546.db2.gz VCQCAHBPIXCJMA-LBPRGKRZSA-N 1 0 242.750 2.345 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000032012869 169261975 /nfs/dbraw/zinc/26/19/75/169261975.db2.gz GDOOFRCNBYRJJW-LLVKDONJSA-N 1 0 213.708 2.373 10 0 BEAERO c1cc(N[C@@H]2C[NH+]3CCC2CC3)cc2c1OCC2 ZINC000037103965 183370611 /nfs/dbraw/zinc/37/06/11/183370611.db2.gz VZEWYSBFKIZISQ-CQSZACIVSA-N 1 0 244.338 2.128 10 0 BEAERO c1cc2ncc(C[C@@H]3CCC[NH2+]C3)cc2[nH]1 ZINC000089221483 183377342 /nfs/dbraw/zinc/37/73/42/183377342.db2.gz IDUYGYYVTRZQDH-JTQLQIEISA-N 1 0 215.300 2.105 10 0 BEAERO CCCNC(=O)[C@@H](CC[NH3+])C1CCCCC1 ZINC000076612227 169243801 /nfs/dbraw/zinc/24/38/01/169243801.db2.gz YLDIUOPXTSARTC-LBPRGKRZSA-N 1 0 226.364 2.058 10 0 BEAERO c1ccc(-c2ccnc3c2C[NH2+]CCO3)cc1 ZINC000095616843 183380869 /nfs/dbraw/zinc/38/08/69/183380869.db2.gz HRYMFLWLMYNUBD-UHFFFAOYSA-N 1 0 226.279 2.231 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000063145537 169246168 /nfs/dbraw/zinc/24/61/68/169246168.db2.gz PENFECJWFBKHFE-CPCZMJQVSA-N 1 0 240.391 2.317 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc(OC)c(C)c1 ZINC000049819406 169262818 /nfs/dbraw/zinc/26/28/18/169262818.db2.gz YNRGUVXZZNWZOS-GFCCVEGCSA-N 1 0 223.316 2.037 10 0 BEAERO c1nn(-c2ccccc2)cc1[C@@H]1CCC[NH2+]1 ZINC000075868065 183386475 /nfs/dbraw/zinc/38/64/75/183386475.db2.gz PFWMTBALLZBAIB-ZDUSSCGKSA-N 1 0 213.284 2.297 10 0 BEAERO CCC[NH2+][C@H](CC(=O)OC)Cc1ccccc1 ZINC000074478695 169288507 /nfs/dbraw/zinc/28/85/07/169288507.db2.gz KJJWJZLUBVOGAG-ZDUSSCGKSA-N 1 0 235.327 2.160 10 0 BEAERO CCC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000035581408 169290215 /nfs/dbraw/zinc/29/02/15/169290215.db2.gz CYDREDNRNPTIRI-ZDUSSCGKSA-N 1 0 245.326 2.307 10 0 BEAERO CCC[NH2+]C[C@H](C)Oc1ccccc1OC ZINC000052675065 169263823 /nfs/dbraw/zinc/26/38/23/169263823.db2.gz LTZJWWKLJSVMSS-NSHDSACASA-N 1 0 223.316 2.462 10 0 BEAERO c1ccc(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)nc1 ZINC000077482386 183393262 /nfs/dbraw/zinc/39/32/62/183393262.db2.gz RNVZRGUMPYXETN-LSDHHAIUSA-N 1 0 246.354 2.268 10 0 BEAERO c1ccc(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)nc1 ZINC000077482384 183393446 /nfs/dbraw/zinc/39/34/46/183393446.db2.gz RNVZRGUMPYXETN-GJZGRUSLSA-N 1 0 246.354 2.268 10 0 BEAERO CCC[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000050562413 169267053 /nfs/dbraw/zinc/26/70/53/169267053.db2.gz JWTKVRVIZDPGRX-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO c1ccc(CCN2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000040671050 183394194 /nfs/dbraw/zinc/39/41/94/183394194.db2.gz JDHOKEGPILAYGT-HNNXBMFYSA-N 1 0 230.355 2.055 10 0 BEAERO CCC[NH2+]Cc1ccoc1Cn1cc(C)cn1 ZINC000052576846 169268378 /nfs/dbraw/zinc/26/83/78/169268378.db2.gz IDUBGYGZWQVTBC-UHFFFAOYSA-N 1 0 233.315 2.332 10 0 BEAERO CCC[NH2+]Cc1nc2ccc(F)cc2n1C ZINC000052124547 169269458 /nfs/dbraw/zinc/26/94/58/169269458.db2.gz MDMVSYNOLCOJFI-UHFFFAOYSA-N 1 0 221.279 2.212 10 0 BEAERO c1nnc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000336472112 183398579 /nfs/dbraw/zinc/39/85/79/183398579.db2.gz HQNFQEBTEUYEOC-CYBMUJFWSA-N 1 0 242.326 2.184 10 0 BEAERO c1nnc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000336472113 183399441 /nfs/dbraw/zinc/39/94/41/183399441.db2.gz HQNFQEBTEUYEOC-ZDUSSCGKSA-N 1 0 242.326 2.184 10 0 BEAERO CCC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000035582740 169276745 /nfs/dbraw/zinc/27/67/45/169276745.db2.gz HCJCGIYWPOGLDA-VIFPVBQESA-N 1 0 218.300 2.242 10 0 BEAERO CCC[NH2+][C@@H](C)c1nc2cccnc2[nH]1 ZINC000062366687 169277297 /nfs/dbraw/zinc/27/72/97/169277297.db2.gz BOASYROIPMOVHF-QMMMGPOBSA-N 1 0 204.277 2.019 10 0 BEAERO CCC[NH2+][C@@H](C)c1ccccc1N(C)CCO ZINC000037899442 169277322 /nfs/dbraw/zinc/27/73/22/169277322.db2.gz DYLLKRZIIOYNGW-LBPRGKRZSA-N 1 0 236.359 2.176 10 0 BEAERO CCCN[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000050270582 169278875 /nfs/dbraw/zinc/27/88/75/169278875.db2.gz VPTDXHZZYWWFQT-JTQLQIEISA-N 1 0 244.285 2.287 10 0 BEAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H]1COCCO1 ZINC000055300437 169278881 /nfs/dbraw/zinc/27/88/81/169278881.db2.gz ZBRJRJFEKGXEFH-GJZGRUSLSA-N 1 0 249.354 2.451 10 0 BEAERO CCC[NH2+][C@@H](Cc1ccncc1)[C@@H]1CCOC1 ZINC000104105431 169279220 /nfs/dbraw/zinc/27/92/20/169279220.db2.gz AMKWOZWQWINNHM-KGLIPLIRSA-N 1 0 234.343 2.029 10 0 BEAERO CCC[NH2+][C@@H](c1ccc(C)o1)[C@@H]1COCCO1 ZINC000055301195 169280641 /nfs/dbraw/zinc/28/06/41/169280641.db2.gz LFXRCIRQDGFWAU-STQMWFEESA-N 1 0 239.315 2.044 10 0 BEAERO c1ccc(OCCCOC2CC[NH2+]CC2)cc1 ZINC000020267038 183418850 /nfs/dbraw/zinc/41/88/50/183418850.db2.gz MKCQMWZUNUKTHD-UHFFFAOYSA-N 1 0 235.327 2.224 10 0 BEAERO c1ccc(OCCCC2CC[NH2+]CC2)nc1 ZINC000095092516 183419832 /nfs/dbraw/zinc/41/98/32/183419832.db2.gz OPSGKQQUSYPJOM-UHFFFAOYSA-N 1 0 220.316 2.240 10 0 BEAERO CCCOCCO[C@@H](C[NH3+])c1cccc(F)c1 ZINC000104248636 169309458 /nfs/dbraw/zinc/30/94/58/169309458.db2.gz CIECCBQPKGDXFM-ZDUSSCGKSA-N 1 0 241.306 2.269 10 0 BEAERO CCCOCCOCc1ccc(C[NH2+]C)cc1 ZINC000111614014 169309689 /nfs/dbraw/zinc/30/96/89/169309689.db2.gz XFKAWWIUQKTFED-UHFFFAOYSA-N 1 0 237.343 2.349 10 0 BEAERO CCCO[C@@H]1CCCN(C[C@H]([NH3+])C(C)(C)C)C1 ZINC000042421868 169311637 /nfs/dbraw/zinc/31/16/37/169311637.db2.gz KYXCSTZEJZLOIN-OLZOCXBDSA-N 1 0 242.407 2.251 10 0 BEAERO CCCO[C@H]1CCCN(C(=[NH2+])NC(C)(C)C)C1 ZINC000052039486 169311847 /nfs/dbraw/zinc/31/18/47/169311847.db2.gz OGWWDJXIVOPGSE-NSHDSACASA-N 1 0 241.379 2.200 10 0 BEAERO CCCO[C@@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000037024989 169312135 /nfs/dbraw/zinc/31/21/35/169312135.db2.gz IOWJCHVCCUZEAF-ZIAGYGMSSA-N 1 0 235.327 2.436 10 0 BEAERO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000042423652 169312212 /nfs/dbraw/zinc/31/22/12/169312212.db2.gz JBNYVKVUBHJCQW-CHWSQXEVSA-N 1 0 239.359 2.389 10 0 BEAERO CCCO[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000037024985 169312270 /nfs/dbraw/zinc/31/22/70/169312270.db2.gz IOWJCHVCCUZEAF-KGLIPLIRSA-N 1 0 235.327 2.436 10 0 BEAERO CCCO[C@H]1CCCN(C[C@@](C)([NH3+])CCC)C1 ZINC000042425524 169312635 /nfs/dbraw/zinc/31/26/35/169312635.db2.gz JAFTYCYFBJHIEH-KBPBESRZSA-N 1 0 242.407 2.395 10 0 BEAERO CCCO[C@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000037024991 169312782 /nfs/dbraw/zinc/31/27/82/169312782.db2.gz IOWJCHVCCUZEAF-UONOGXRCSA-N 1 0 235.327 2.436 10 0 BEAERO CCCO[C@H]1CCCN(C[C@@H]2CCCC[NH2+]2)C1 ZINC000042425471 169312955 /nfs/dbraw/zinc/31/29/55/169312955.db2.gz UOVLKWRGZLBMDH-KBPBESRZSA-N 1 0 240.391 2.020 10 0 BEAERO CCCO[C@H]1CCCN(C[C@](C)([NH3+])C2CC2)C1 ZINC000042425517 169313248 /nfs/dbraw/zinc/31/32/48/169313248.db2.gz NFSVTHFUISPVJB-KBPBESRZSA-N 1 0 240.391 2.005 10 0 BEAERO CCCOc1cc(C(N)=[NH2+])ccc1OCC ZINC000020595443 169314222 /nfs/dbraw/zinc/31/42/22/169314222.db2.gz LRUAWLVBVZMDDT-UHFFFAOYSA-N 1 0 222.288 2.158 10 0 BEAERO CCCOc1ccc(-c2nnc(CC[NH3+])o2)cc1 ZINC000098128310 169316495 /nfs/dbraw/zinc/31/64/95/169316495.db2.gz MROGGJBGDGRENG-UHFFFAOYSA-N 1 0 247.298 2.027 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000037241485 169291971 /nfs/dbraw/zinc/29/19/71/169291971.db2.gz KVTQXLLVGXMZQM-NSHDSACASA-N 1 0 222.307 2.404 10 0 BEAERO CCCOc1ccc([C@@H](C[NH3+])N(C)C)cc1 ZINC000019796313 169321185 /nfs/dbraw/zinc/32/11/85/169321185.db2.gz QSULTARRRMULEX-CYBMUJFWSA-N 1 0 222.332 2.037 10 0 BEAERO c1ccc2oc(S[C@H]3CC[NH2+]C3)nc2c1 ZINC000051783998 183461214 /nfs/dbraw/zinc/46/12/14/183461214.db2.gz GABDQPZFPIOZHA-QMMMGPOBSA-N 1 0 220.297 2.282 10 0 BEAERO CCCOc1ccc([C@H](O)C[NH+](C)C)cc1 ZINC000044122495 169322138 /nfs/dbraw/zinc/32/21/38/169322138.db2.gz JGFUQEHTYFXFAG-CYBMUJFWSA-N 1 0 223.316 2.070 10 0 BEAERO CCCOc1ccc([C@H]([C@H](C)[NH3+])N(C)C)cc1 ZINC000071547426 169322170 /nfs/dbraw/zinc/32/21/70/169322170.db2.gz XJAFDMNGPANFNY-FZMZJTMJSA-N 1 0 236.359 2.425 10 0 BEAERO CCCOc1ccc([C@H]([NH3+])c2cnccn2)cc1 ZINC000055263596 169322270 /nfs/dbraw/zinc/32/22/70/169322270.db2.gz DNMDJJSVHAJXOE-AWEZNQCLSA-N 1 0 243.310 2.314 10 0 BEAERO CCCOc1ccc([C@]2(C)C[C@@H]2[NH3+])cc1 ZINC000052126228 169322472 /nfs/dbraw/zinc/32/24/72/169322472.db2.gz ZYMRICHKYPTTAX-STQMWFEESA-N 1 0 205.301 2.464 10 0 BEAERO CCCOc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)O2 ZINC000043634439 169323559 /nfs/dbraw/zinc/32/35/59/169323559.db2.gz XEPCSDIGGSISEX-PRHODGIISA-N 1 0 207.273 2.256 10 0 BEAERO CCCOc1ccccc1C[NH2+]C(C)(C)CO ZINC000020924336 169326992 /nfs/dbraw/zinc/32/69/92/169326992.db2.gz BIPUXBTVPLOINR-UHFFFAOYSA-N 1 0 237.343 2.336 10 0 BEAERO CCCOc1ccccc1[C@H](O)C[NH2+]CC ZINC000032014624 169328073 /nfs/dbraw/zinc/32/80/73/169328073.db2.gz ZRSIQSRBHXKSGV-GFCCVEGCSA-N 1 0 223.316 2.118 10 0 BEAERO CCCOc1ccnc2c1CCC[C@H]2[NH3+] ZINC000095221074 169328088 /nfs/dbraw/zinc/32/80/88/169328088.db2.gz IDRFVJHAMVSERQ-SNVBAGLBSA-N 1 0 206.289 2.207 10 0 BEAERO CCCOc1cnc2ccccc2c1C[NH3+] ZINC000095942524 169328481 /nfs/dbraw/zinc/32/84/81/169328481.db2.gz YPZVNILDQRZTDW-UHFFFAOYSA-N 1 0 216.284 2.482 10 0 BEAERO c1cnc2c(c1)cccc2OCC[NH2+]C1CC1 ZINC000020524987 183486195 /nfs/dbraw/zinc/48/61/95/183486195.db2.gz DFOPKQXSDNZZOB-UHFFFAOYSA-N 1 0 228.295 2.366 10 0 BEAERO CCC[C@@H](C(=O)NC[C@@H]1CC=CCC1)[NH+](C)C ZINC000120644598 169345467 /nfs/dbraw/zinc/34/54/67/169345467.db2.gz LGBMFVNTXRWWHD-OLZOCXBDSA-N 1 0 238.375 2.189 10 0 BEAERO CCC[C@@H](C(=O)Nc1cccc(C)n1)[NH+](C)C ZINC000159103111 169346161 /nfs/dbraw/zinc/34/61/61/169346161.db2.gz KOVYAJZTMXPVDV-NSHDSACASA-N 1 0 235.331 2.059 10 0 BEAERO CCC[C@@H](C)C(=O)N(C)CCC1CC[NH2+]CC1 ZINC000048259882 169347482 /nfs/dbraw/zinc/34/74/82/169347482.db2.gz AYNNEHVUZABJRL-GFCCVEGCSA-N 1 0 240.391 2.271 10 0 BEAERO CCC[C@@H](C)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000368426360 169370690 /nfs/dbraw/zinc/37/06/90/169370690.db2.gz VVLVCMVNPMANBV-VXGBXAGGSA-N 1 0 221.348 2.224 10 0 BEAERO CCC[C@@H](C)C[NH2+]Cc1ccnc(C)n1 ZINC000038037504 169360164 /nfs/dbraw/zinc/36/01/64/169360164.db2.gz YDZHEWKNOYZINK-SNVBAGLBSA-N 1 0 207.321 2.311 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037655157 169362195 /nfs/dbraw/zinc/36/21/95/169362195.db2.gz FVBWFQAKEVBFFY-VOMCLLRMSA-N 1 0 226.364 2.151 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NC1CCCCCCC1 ZINC000036872759 169388130 /nfs/dbraw/zinc/38/81/30/169388130.db2.gz WPAFCKJRFGMKFO-GFCCVEGCSA-N 1 0 226.364 2.343 10 0 BEAERO CCC[C@@H](CC[NH3+])C(=O)NC1CCCCC1 ZINC000076612252 169382289 /nfs/dbraw/zinc/38/22/89/169382289.db2.gz GCDBZTUZMBUGDI-NSHDSACASA-N 1 0 226.364 2.200 10 0 BEAERO CCC[C@@H](CC)n1nnnc1C[NH2+]CC(C)C ZINC000054746504 169382307 /nfs/dbraw/zinc/38/23/07/169382307.db2.gz QFAZXEYFDXCPOR-LLVKDONJSA-N 1 0 239.367 2.170 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000037764228 169390912 /nfs/dbraw/zinc/39/09/12/169390912.db2.gz MOPJJHFAOOWNFJ-JOYOIKCWSA-N 1 0 238.306 2.130 10 0 BEAERO CCC[C@@H]([NH3+])[C@@H](CC)[N@H+](CCOC)CC(C)C ZINC000042368897 169392550 /nfs/dbraw/zinc/39/25/50/169392550.db2.gz FAGIMHAMVNFBOD-ZIAGYGMSSA-N 1 0 244.423 2.497 10 0 BEAERO CCC[C@@H]([NH3+])c1nc2ccccc2n1C ZINC000019734826 169393458 /nfs/dbraw/zinc/39/34/58/169393458.db2.gz SPEVFNNXBPYCTQ-SECBINFHSA-N 1 0 203.289 2.373 10 0 BEAERO CCC[C@@H]([NH3+])c1nc2c(s1)CN(CC)CC2 ZINC000041059311 169393497 /nfs/dbraw/zinc/39/34/97/169393497.db2.gz FEOBJNUCPSFDOP-SECBINFHSA-N 1 0 239.388 2.321 10 0 BEAERO CCC[C@@H]1CC[C@H]([NH3+])[C@H](OC[C@@H]2CCCO2)C1 ZINC000037743572 169420478 /nfs/dbraw/zinc/42/04/78/169420478.db2.gz HVOYHTZNCIRHJD-ZOBORPQBSA-N 1 0 241.375 2.478 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000336726227 169418843 /nfs/dbraw/zinc/41/88/43/169418843.db2.gz GCSASQZERKLLCC-FRRDWIJNSA-N 1 0 243.416 2.413 10 0 BEAERO c1csc(C[NH2+][C@H]2CCc3nccn3C2)c1 ZINC000368842826 183520875 /nfs/dbraw/zinc/52/08/75/183520875.db2.gz AQMUBSWBVCBOIF-JTQLQIEISA-N 1 0 233.340 2.049 10 0 BEAERO CCC[C@H](C)[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F ZINC000308969223 169493944 /nfs/dbraw/zinc/49/39/44/169493944.db2.gz YAGJBYJWUYTMFQ-XHNCKOQMSA-N 1 0 227.270 2.466 10 0 BEAERO CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336739341 169519166 /nfs/dbraw/zinc/51/91/66/169519166.db2.gz SLVTYVKJQUQUFL-SDDRHHMPSA-N 1 0 217.328 2.265 10 0 BEAERO CCCc1cc(OC)c(C[NH2+]C)cc1OC ZINC000096888985 169567667 /nfs/dbraw/zinc/56/76/67/169567667.db2.gz OOXHLMLFZIYRQF-UHFFFAOYSA-N 1 0 223.316 2.376 10 0 BEAERO COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000183276342 134352643 /nfs/dbraw/zinc/35/26/43/134352643.db2.gz LEGIIEZONVASSV-YIYPIFLZSA-N 1 0 243.391 2.044 10 0 BEAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054080048 535461493 /nfs/dbraw/zinc/46/14/93/535461493.db2.gz ALFCJWAAFPVHNW-NWDGAFQWSA-N 1 0 240.391 2.412 10 0 BEAERO CCN(C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000049292531 169635948 /nfs/dbraw/zinc/63/59/48/169635948.db2.gz JEBUIWPWFINHOB-WCQYABFASA-N 1 0 238.375 2.166 10 0 BEAERO CCN(C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000055146788 169649573 /nfs/dbraw/zinc/64/95/73/169649573.db2.gz UNKLDSNKFIEXJX-VXGBXAGGSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226642457 134368429 /nfs/dbraw/zinc/36/84/29/134368429.db2.gz RNTWTLVUHAHMTF-STQMWFEESA-N 1 0 210.365 2.201 10 0 BEAERO C1OCC1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000227244975 134376396 /nfs/dbraw/zinc/37/63/96/134376396.db2.gz PZGKUEKQUDFGAE-IJLUTSLNSA-N 1 0 209.333 2.334 10 0 BEAERO CC(=O)c1cc(C[NH+](C)C)c2ccccn12 ZINC000000179973 383842801 /nfs/dbraw/zinc/84/28/01/383842801.db2.gz DCBFXQPTCGEAFO-UHFFFAOYSA-N 1 0 216.284 2.204 10 0 BEAERO c1cn([C@@H]2CC[N@@H+](CC3CCCCC3)C2)nn1 ZINC000585380347 383853792 /nfs/dbraw/zinc/85/37/92/383853792.db2.gz WKUHFCLVQWDBHF-CYBMUJFWSA-N 1 0 234.347 2.105 10 0 BEAERO C[C@H]1C[N@H+](C[C@@]2(C)CCCS2)CCC1=O ZINC000227394256 383856701 /nfs/dbraw/zinc/85/67/01/383856701.db2.gz UEIWRTJUEKZBSP-CMPLNLGQSA-N 1 0 227.373 2.183 10 0 BEAERO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cs1 ZINC000334733872 383860104 /nfs/dbraw/zinc/86/01/04/383860104.db2.gz ZVIMXQIDLQUTQF-CABZTGNLSA-N 1 0 225.357 2.259 10 0 BEAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)O ZINC000035112586 383831766 /nfs/dbraw/zinc/83/17/66/383831766.db2.gz YPLFTNWYFSSQHA-UMSGYPCISA-N 1 0 213.365 2.418 10 0 BEAERO C[C@H]([NH2+]Cc1ncccc1Cl)[C@@H]1CCCO1 ZINC000528441769 383890042 /nfs/dbraw/zinc/89/00/42/383890042.db2.gz APGDGYAGNMFERC-CABZTGNLSA-N 1 0 240.734 2.392 10 0 BEAERO CCC[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732319 383990673 /nfs/dbraw/zinc/99/06/73/383990673.db2.gz DLLWVLNEUVLLKQ-STQMWFEESA-N 1 0 248.374 2.224 10 0 BEAERO C[C@@H](Cc1cccs1)[NH2+]Cc1cncnc1 ZINC000054767480 383957628 /nfs/dbraw/zinc/95/76/28/383957628.db2.gz MLWLZGKEVSKRCR-JTQLQIEISA-N 1 0 233.340 2.259 10 0 BEAERO [NH3+]Cc1ccc(C(=O)c2ccccc2)s1 ZINC000090397616 384045500 /nfs/dbraw/zinc/04/55/00/384045500.db2.gz HPXQVCUZDIIDSQ-UHFFFAOYSA-N 1 0 217.293 2.438 10 0 BEAERO c1n[nH]cc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000038006331 384054337 /nfs/dbraw/zinc/05/43/37/384054337.db2.gz KCSKMXQIIRTLTH-AWEZNQCLSA-N 1 0 227.311 2.057 10 0 BEAERO Cc1cc(C)cc(-c2cc(C[NH3+])on2)c1 ZINC000069970204 384070659 /nfs/dbraw/zinc/07/06/59/384070659.db2.gz SZLKZVPHFUJXHL-UHFFFAOYSA-N 1 0 202.257 2.417 10 0 BEAERO C[C@@H]([NH2+]CC[C@@H](O)c1ccccc1)[C@H]1CCCO1 ZINC000299016159 384091122 /nfs/dbraw/zinc/09/11/22/384091122.db2.gz QXZWESNWTQLCOL-BPLDGKMQSA-N 1 0 249.354 2.267 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccc1 ZINC000070256797 384095457 /nfs/dbraw/zinc/09/54/57/384095457.db2.gz VGWYJKWNNKFULP-CQSZACIVSA-N 1 0 248.370 2.393 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401839835 384099374 /nfs/dbraw/zinc/09/93/74/384099374.db2.gz QPTGXCRSJJBSOK-VNHYZAJKSA-N 1 0 249.354 2.359 10 0 BEAERO Cc1cccc([C@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)c1 ZINC000072415295 384100845 /nfs/dbraw/zinc/10/08/45/384100845.db2.gz UYJLZFGNCCHEGR-YPMHNXCESA-N 1 0 227.311 2.448 10 0 BEAERO CCc1ccc(OC)cc1OCC[NH+](C)C ZINC000039102444 384102672 /nfs/dbraw/zinc/10/26/72/384102672.db2.gz UYNNZNKOKPRSRL-UHFFFAOYSA-N 1 0 223.316 2.198 10 0 BEAERO CCc1ccc([C@@H](O)CC[NH+](C)C)cc1 ZINC000039101188 384103077 /nfs/dbraw/zinc/10/30/77/384103077.db2.gz LFPHJFLMDCHKFP-ZDUSSCGKSA-N 1 0 207.317 2.234 10 0 BEAERO [NH3+][C@@H]1C[C@@H](c2ccccc2)Cc2n[nH]cc21 ZINC000072415333 384103888 /nfs/dbraw/zinc/10/38/88/384103888.db2.gz HBEKLUMFPWQVDB-ZYHUDNBSSA-N 1 0 213.284 2.140 10 0 BEAERO Cc1ccc([C@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)cc1 ZINC000072415339 384104366 /nfs/dbraw/zinc/10/43/66/384104366.db2.gz HWNQLPKMEPSQNX-YPMHNXCESA-N 1 0 227.311 2.448 10 0 BEAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@@H](c1ccco1)C2 ZINC000072415386 384104588 /nfs/dbraw/zinc/10/45/88/384104588.db2.gz YUFCHQPSQKHWGW-RKDXNWHRSA-N 1 0 217.272 2.041 10 0 BEAERO C[C@]1([NH3+])CC=C(c2ccccc2)[C@@](C)(O)C1 ZINC000039109449 384107089 /nfs/dbraw/zinc/10/70/89/384107089.db2.gz AEJGYFICVMFGCY-KBPBESRZSA-N 1 0 217.312 2.332 10 0 BEAERO Cn1ncc2c1C[C@H](c1ccc(F)cc1)C[C@@H]2[NH3+] ZINC000072415895 384108431 /nfs/dbraw/zinc/10/84/31/384108431.db2.gz HQRYAMGIWGHCEU-MFKMUULPSA-N 1 0 245.301 2.289 10 0 BEAERO C[C@@H]1Cc2c(cnn2-c2ccccc2)[C@@H]([NH3+])C1 ZINC000072415620 384108976 /nfs/dbraw/zinc/10/89/76/384108976.db2.gz DDRABPXZQSDSNK-GWCFXTLKSA-N 1 0 227.311 2.454 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1CCC=CO1 ZINC000070528345 384116311 /nfs/dbraw/zinc/11/63/11/384116311.db2.gz PQBZICJNCKEXGM-AAEUAGOBSA-N 1 0 231.295 2.402 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1(C)C ZINC000310300762 384121721 /nfs/dbraw/zinc/12/17/21/384121721.db2.gz OFFDWQYRJIPYEI-QJPTWQEYSA-N 1 0 243.391 2.187 10 0 BEAERO O=C(c1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000036159328 384161937 /nfs/dbraw/zinc/16/19/37/384161937.db2.gz YCRJDEPDOOIAKJ-ZCFIWIBFSA-N 1 0 215.705 2.336 10 0 BEAERO [NH3+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000050224130 384163392 /nfs/dbraw/zinc/16/33/92/384163392.db2.gz BWCPUVMCRIOVCQ-UHFFFAOYSA-N 1 0 243.097 2.033 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)CO1 ZINC000401866150 384164251 /nfs/dbraw/zinc/16/42/51/384164251.db2.gz VIIBIVXSHDFTDV-WZRBSPASSA-N 1 0 233.311 2.277 10 0 BEAERO C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[NH2+]2 ZINC000002534401 384169333 /nfs/dbraw/zinc/16/93/33/384169333.db2.gz DXESFJJJWBHLJX-HERUPUMHSA-N 1 0 217.312 2.204 10 0 in-vitro BEAERO CC[C@@]1(C)CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000335976924 384178954 /nfs/dbraw/zinc/17/89/54/384178954.db2.gz XHTLBUGBFUDFSF-KBPBESRZSA-N 1 0 238.375 2.167 10 0 BEAERO [NH3+]C[C@@H](Cc1ccccc1)c1ccccn1 ZINC000041226353 384182839 /nfs/dbraw/zinc/18/28/39/384182839.db2.gz JLFXXFICMQGLRU-CYBMUJFWSA-N 1 0 212.296 2.367 10 0 BEAERO Cc1cc(C(C)C)nc(N2C[C@H](C)[NH2+]C[C@@H]2C)n1 ZINC000156889665 384206200 /nfs/dbraw/zinc/20/62/00/384206200.db2.gz RCPMUFIOIHECJY-RYUDHWBXSA-N 1 0 248.374 2.095 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cccnc1 ZINC000092751278 384191089 /nfs/dbraw/zinc/19/10/89/384191089.db2.gz BMWILGRRLHXLQZ-YUTCNCBUSA-N 1 0 234.343 2.283 10 0 BEAERO C[NH2+][C@H]1CCC[C@H](Sc2ncco2)C1 ZINC000234492051 384191809 /nfs/dbraw/zinc/19/18/09/384191809.db2.gz DWBIYYJRDXPSER-IUCAKERBSA-N 1 0 212.318 2.297 10 0 BEAERO COC(=O)c1ccc([C@@H]2CCC[NH2+]2)cc1F ZINC000072202326 384199366 /nfs/dbraw/zinc/19/93/66/384199366.db2.gz DGTTXRDABOFWCR-NSHDSACASA-N 1 0 223.247 2.037 10 0 BEAERO Clc1ncc(C[NH2+]C2CC2)c(Cl)n1 ZINC000072194561 384199620 /nfs/dbraw/zinc/19/96/20/384199620.db2.gz ZYGWOEBYMNQBTB-UHFFFAOYSA-N 1 0 218.087 2.035 10 0 BEAERO Cn1cccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000093438482 384238324 /nfs/dbraw/zinc/23/83/24/384238324.db2.gz MMVJOMMATSFZPR-AWEZNQCLSA-N 1 0 244.342 2.475 10 0 BEAERO C[C@H](Cc1ccccc1)C[N@H+](CCO)C1CC1 ZINC000132180201 384219834 /nfs/dbraw/zinc/21/98/34/384219834.db2.gz JYTFMXXWFHZQBW-CYBMUJFWSA-N 1 0 233.355 2.322 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502508 384271133 /nfs/dbraw/zinc/27/11/33/384271133.db2.gz XVLQHBMVDIJLFA-QWHCGFSZSA-N 1 0 212.381 2.497 10 0 BEAERO CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000082944231 384275546 /nfs/dbraw/zinc/27/55/46/384275546.db2.gz AJTJPCLJSALYBS-MXWKQRLJSA-N 1 0 211.349 2.436 10 0 BEAERO Cc1ncsc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000092785341 384322854 /nfs/dbraw/zinc/32/28/54/384322854.db2.gz XAOOURSIFJLMNX-LLVKDONJSA-N 1 0 240.372 2.188 10 0 BEAERO c1ccc2[nH]c(S[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000043501607 384281533 /nfs/dbraw/zinc/28/15/33/384281533.db2.gz DWKOPSVZNFWDIJ-SECBINFHSA-N 1 0 233.340 2.407 10 0 BEAERO CCC1([NH2+]Cc2cc(C(N)=O)cs2)CCC1 ZINC000133324135 384284004 /nfs/dbraw/zinc/28/40/04/384284004.db2.gz RNUZMWLYBLRNQN-UHFFFAOYSA-N 1 0 238.356 2.269 10 0 BEAERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N1CCOCC1 ZINC000119577326 384286016 /nfs/dbraw/zinc/28/60/16/384286016.db2.gz SNZHWGMDISSCPX-KBPBESRZSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1ccnc(N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000043561768 384286625 /nfs/dbraw/zinc/28/66/25/384286625.db2.gz ARNYPIIGCUGXJG-GHMZBOCLSA-N 1 0 205.305 2.072 10 0 BEAERO C[C@H]([NH2+][C@@H]1COc2ccccc21)[C@H]1CCOC1 ZINC000119735003 384299853 /nfs/dbraw/zinc/29/98/53/384299853.db2.gz DVELRUXAPYETNV-GMXVVIOVSA-N 1 0 233.311 2.135 10 0 BEAERO CSCCCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000133605956 384303628 /nfs/dbraw/zinc/30/36/28/384303628.db2.gz XNSMVUABDHZBHI-QWRGUYRKSA-N 1 0 217.378 2.144 10 0 BEAERO Cc1ccnc(N[C@@H](C)CCCC[NH3+])c1 ZINC000308833970 384335950 /nfs/dbraw/zinc/33/59/50/384335950.db2.gz KLZBGAUJVYGMIJ-NSHDSACASA-N 1 0 207.321 2.319 10 0 BEAERO Clc1cc(SC[C@H]2CCCC[NH2+]2)ncn1 ZINC000095070450 384337134 /nfs/dbraw/zinc/33/71/34/384337134.db2.gz DYMWPRXSMMGTES-MRVPVSSYSA-N 1 0 243.763 2.364 10 0 BEAERO Clc1ncc(COC[C@@H]2CCC[NH2+]2)s1 ZINC000095070215 384337155 /nfs/dbraw/zinc/33/71/55/384337155.db2.gz VNJJRBGOQPJORN-ZETCQYMHSA-N 1 0 232.736 2.065 10 0 BEAERO CN(C[C@H]1CCC[NH2+]1)c1nsc2ccccc21 ZINC000095070991 384338966 /nfs/dbraw/zinc/33/89/66/384338966.db2.gz KWSZLOOKAWEHQN-SNVBAGLBSA-N 1 0 247.367 2.485 10 0 BEAERO CN(C[C@H]1CCC[NH2+]1)c1nc2ccccc2o1 ZINC000095070983 384339263 /nfs/dbraw/zinc/33/92/63/384339263.db2.gz HYDXSMPKTJLDPR-SNVBAGLBSA-N 1 0 231.299 2.016 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncccc2Cl)C1 ZINC000335577435 384339691 /nfs/dbraw/zinc/33/96/91/384339691.db2.gz DZBZONIJBVVJOI-BDAKNGLRSA-N 1 0 225.723 2.274 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncc(Cl)cc2F)C1 ZINC000335581060 384342634 /nfs/dbraw/zinc/34/26/34/384342634.db2.gz MKPUFEJPJIALSB-IONNQARKSA-N 1 0 243.713 2.413 10 0 BEAERO CCCCOC(=O)c1ccc(C[NH3+])cc1 ZINC000013802945 384373632 /nfs/dbraw/zinc/37/36/32/384373632.db2.gz WUZWDUCZTJBKEH-UHFFFAOYSA-N 1 0 207.273 2.102 10 0 BEAERO [NH3+]C[C@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095072513 384343987 /nfs/dbraw/zinc/34/39/87/384343987.db2.gz NFZURJWTCRVWPS-SNVBAGLBSA-N 1 0 247.367 2.471 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000120388713 384349225 /nfs/dbraw/zinc/34/92/25/384349225.db2.gz ZAQNMQMYBOTLBF-QWHCGFSZSA-N 1 0 248.374 2.081 10 0 BEAERO COCc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000083969538 384352096 /nfs/dbraw/zinc/35/20/96/384352096.db2.gz IPUFBDGUAUNFSB-ZWNOBZJWSA-N 1 0 205.301 2.331 10 0 BEAERO FC(F)(F)N(Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000095076926 384352355 /nfs/dbraw/zinc/35/23/55/384352355.db2.gz KMBMYNDKWYEYAI-NSHDSACASA-N 1 0 244.260 2.370 10 0 BEAERO COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]1C ZINC000120483190 384355623 /nfs/dbraw/zinc/35/56/23/384355623.db2.gz KHMNRXIROOCSOZ-UBHSHLNASA-N 1 0 219.328 2.242 10 0 BEAERO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]1C ZINC000120483465 384356091 /nfs/dbraw/zinc/35/60/91/384356091.db2.gz KHMNRXIROOCSOZ-FPMFFAJLSA-N 1 0 219.328 2.242 10 0 BEAERO c1ccc2c(c1)CN([C@@H]1CCC[NH2+]C1)N=N2 ZINC000095082678 384358697 /nfs/dbraw/zinc/35/86/97/384358697.db2.gz PKCXAXARBXZQFB-LLVKDONJSA-N 1 0 216.288 2.253 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000120554163 384361951 /nfs/dbraw/zinc/36/19/51/384361951.db2.gz UFZQRQMMEOMMKC-SUNKGSAMSA-N 1 0 242.326 2.326 10 0 BEAERO c1ccc2c(c1)snc2OC1CC[NH2+]CC1 ZINC000095092782 384362182 /nfs/dbraw/zinc/36/21/82/384362182.db2.gz XOXCQMBZLKWSFA-UHFFFAOYSA-N 1 0 234.324 2.427 10 0 BEAERO c1ccc(CSC[C@@H]2CCC[NH2+]2)nc1 ZINC000095092738 384362572 /nfs/dbraw/zinc/36/25/72/384362572.db2.gz CVXBFGOFERMVSW-NSHDSACASA-N 1 0 208.330 2.067 10 0 BEAERO c1cncc(CSC[C@@H]2CCCC[NH2+]2)c1 ZINC000095092745 384363792 /nfs/dbraw/zinc/36/37/92/384363792.db2.gz PWRMRICXRRNAPA-LBPRGKRZSA-N 1 0 222.357 2.457 10 0 BEAERO c1ccc2c(c1)snc2OC[C@H]1CC[NH2+]C1 ZINC000095092690 384363910 /nfs/dbraw/zinc/36/39/10/384363910.db2.gz YIRXAHHMUSWDHK-VIFPVBQESA-N 1 0 234.324 2.285 10 0 BEAERO C[C@@H](N[C@H]1CCCC[C@@H]1[NH3+])c1ccco1 ZINC000095068311 384329642 /nfs/dbraw/zinc/32/96/42/384329642.db2.gz JCBLCHTZHBNZCG-VWYCJHECSA-N 1 0 208.305 2.200 10 0 BEAERO C[C@@H](N[C@H]1CCCC[C@@H]1[NH3+])c1ccccn1 ZINC000095068319 384330770 /nfs/dbraw/zinc/33/07/70/384330770.db2.gz JCWKVGUESLPLOG-MDZLAQPJSA-N 1 0 219.332 2.002 10 0 BEAERO Cc1cc(C)nc(OCCC[C@H]2CCCC[NH2+]2)n1 ZINC000095068900 384331567 /nfs/dbraw/zinc/33/15/67/384331567.db2.gz IMWNDIHMNLIJPJ-CYBMUJFWSA-N 1 0 249.358 2.395 10 0 BEAERO Cc1ccc(SC[C@@H]2CCC[NH2+]2)nc1 ZINC000095069154 384332771 /nfs/dbraw/zinc/33/27/71/384332771.db2.gz NJWFELKTLXSYAH-JTQLQIEISA-N 1 0 208.330 2.234 10 0 BEAERO Clc1cnc(OCC[C@H]2CCCC[NH2+]2)nc1 ZINC000095070057 384334860 /nfs/dbraw/zinc/33/48/60/384334860.db2.gz KIKNVDWUNMAPLA-SNVBAGLBSA-N 1 0 241.722 2.041 10 0 BEAERO CC(C)(C)OC(=O)Cc1ccc(C[NH3+])cc1 ZINC000095748801 384392695 /nfs/dbraw/zinc/39/26/95/384392695.db2.gz XXEUULGDNGDBMS-UHFFFAOYSA-N 1 0 221.300 2.030 10 0 BEAERO CC(=O)CC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000121189490 384400766 /nfs/dbraw/zinc/40/07/66/384400766.db2.gz ZKXFQANNIVTTJO-UHFFFAOYSA-N 1 0 227.254 2.376 10 0 BEAERO CCCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000135054909 384410149 /nfs/dbraw/zinc/41/01/49/384410149.db2.gz WBBLQLMWQCPMOW-UHFFFAOYSA-N 1 0 225.336 2.017 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)o1 ZINC000084228735 384379701 /nfs/dbraw/zinc/37/97/01/384379701.db2.gz AINNEUCYONJSHR-WPRPVWTQSA-N 1 0 229.707 2.184 10 0 BEAERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)s1 ZINC000084228599 384379739 /nfs/dbraw/zinc/37/97/39/384379739.db2.gz QUHRGDPTTLDBCR-ZYHUDNBSSA-N 1 0 225.357 2.307 10 0 BEAERO COc1ccc(CC[N@H+]2[C@H](C)COC[C@@H]2C)cc1 ZINC000120809321 384383153 /nfs/dbraw/zinc/38/31/53/384383153.db2.gz AGRFNBQOLVFNFY-BETUJISGSA-N 1 0 249.354 2.347 10 0 BEAERO CC[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000181125494 384448922 /nfs/dbraw/zinc/44/89/22/384448922.db2.gz IYOBUAVUKMWZDR-GFCCVEGCSA-N 1 0 221.348 2.394 10 0 BEAERO [NH3+][C@@H](CCO)c1csc2ccccc21 ZINC000044198080 384451164 /nfs/dbraw/zinc/45/11/64/384451164.db2.gz QZIMSHWZHQHMOB-JTQLQIEISA-N 1 0 207.298 2.284 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000181136795 384455097 /nfs/dbraw/zinc/45/50/97/384455097.db2.gz VJBXDPPYYGZHJN-WCQYABFASA-N 1 0 221.348 2.454 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccn1 ZINC000160847896 384441088 /nfs/dbraw/zinc/44/10/88/384441088.db2.gz YJMKRUFZKGKVOS-IACUBPJLSA-N 1 0 234.343 2.426 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174857 384467968 /nfs/dbraw/zinc/46/79/68/384467968.db2.gz PEYDPFWKSMMXOP-MNOVXSKESA-N 1 0 233.302 2.457 10 0 BEAERO COC(=O)c1cccnc1CN1CCCC[C@H]1C ZINC000306028874 384483900 /nfs/dbraw/zinc/48/39/00/384483900.db2.gz ZTENZSAZHRFJQA-LLVKDONJSA-N 1 0 248.326 2.243 10 0 BEAERO C[NH2+][C@H](C)c1nc(-c2cccs2)no1 ZINC000047848502 384485099 /nfs/dbraw/zinc/48/50/99/384485099.db2.gz HNECOLKQRKZQRD-ZCFIWIBFSA-N 1 0 209.274 2.079 10 0 BEAERO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000334745734 384486880 /nfs/dbraw/zinc/48/68/80/384486880.db2.gz KEIBBNMARBHNLQ-TZMCWYRMSA-N 1 0 219.328 2.198 10 0 BEAERO COc1ccc(C)cc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334746163 384486973 /nfs/dbraw/zinc/48/69/73/384486973.db2.gz OHGOXMWVUZSJSD-OCCSQVGLSA-N 1 0 249.354 2.206 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1c(F)cccc1F ZINC000054929476 384514315 /nfs/dbraw/zinc/51/43/15/384514315.db2.gz NVPFPDRZMQPWGV-PWSUYJOCSA-N 1 0 229.270 2.372 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@H](O)c1c(F)cccc1F ZINC000054929475 384514328 /nfs/dbraw/zinc/51/43/28/384514328.db2.gz NVPFPDRZMQPWGV-JQWIXIFHSA-N 1 0 229.270 2.372 10 0 BEAERO CC(C)[C@H]([NH3+])c1ccncc1Br ZINC000238182302 384528630 /nfs/dbraw/zinc/52/86/30/384528630.db2.gz QVLQLUMVZDSLEL-VIFPVBQESA-N 1 0 229.121 2.500 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000052395604 384537191 /nfs/dbraw/zinc/53/71/91/384537191.db2.gz GIQTYCVXVLNSAG-MRVPVSSYSA-N 1 0 226.707 2.195 10 0 BEAERO Cc1nnc(CN(C)Cc2ccc(C)cc2)n1C ZINC000047540524 384571136 /nfs/dbraw/zinc/57/11/36/384571136.db2.gz DGGRCYOFHSHFRX-UHFFFAOYSA-N 1 0 244.342 2.064 10 0 BEAERO CCN(CC)CC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000097922852 384577733 /nfs/dbraw/zinc/57/77/33/384577733.db2.gz LEEFKJRJKNAPOA-XQQFMLRXSA-N 1 0 210.365 2.106 10 0 BEAERO OC[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)CC1 ZINC000293024476 384582130 /nfs/dbraw/zinc/58/21/30/384582130.db2.gz FUJWHFMIYLSMIT-DZGCQCFKSA-N 1 0 245.366 2.421 10 0 BEAERO C[C@@H]1C[C@H]([N@H+](C)CCc2ccncc2)CCN1C ZINC000123546840 384566616 /nfs/dbraw/zinc/56/66/16/384566616.db2.gz NBTYWYMYSVOWHV-UKRRQHHQSA-N 1 0 247.386 2.039 10 0 BEAERO CCn1nc(C)cc1-c1ccc(C[NH3+])cc1 ZINC000258530537 384603803 /nfs/dbraw/zinc/60/38/03/384603803.db2.gz PWVWUIIPTRBNEF-UHFFFAOYSA-N 1 0 215.300 2.337 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000098210168 384604071 /nfs/dbraw/zinc/60/40/71/384604071.db2.gz XEDSGSRYSSNECI-IMTBSYHQSA-N 1 0 230.080 2.403 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)s1 ZINC000050225474 384609583 /nfs/dbraw/zinc/60/95/83/384609583.db2.gz VBNZKBNUWNBSTE-NWDGAFQWSA-N 1 0 225.357 2.450 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(F)cc1 ZINC000084446002 384619293 /nfs/dbraw/zinc/61/92/93/384619293.db2.gz QMUGAIZTNXYHRB-JBLZRFIASA-N 1 0 223.291 2.247 10 0 BEAERO CC(C)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1 ZINC000050394110 384621434 /nfs/dbraw/zinc/62/14/34/384621434.db2.gz LPWIOKRIUSGAET-AWEZNQCLSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccco1 ZINC000100248175 384627285 /nfs/dbraw/zinc/62/72/85/384627285.db2.gz XXRWWTCZMYONOO-MXWKQRLJSA-N 1 0 209.289 2.234 10 0 BEAERO [NH3+]CCSc1ccc2ccccc2n1 ZINC000011851219 384628551 /nfs/dbraw/zinc/62/85/51/384628551.db2.gz RCFBKUNJJVTSIC-UHFFFAOYSA-N 1 0 204.298 2.286 10 0 BEAERO O=C(CCC[N@@H+](CCO)C1CC1)c1ccccc1 ZINC000050158193 384599252 /nfs/dbraw/zinc/59/92/52/384599252.db2.gz JMDDAHZNBZQSBQ-UHFFFAOYSA-N 1 0 247.338 2.106 10 0 BEAERO CC[N@H+](CCCO)C[C@H]1Cc2ccccc21 ZINC000124647220 384664416 /nfs/dbraw/zinc/66/44/16/384664416.db2.gz IDJLNMFLZGUKNP-CYBMUJFWSA-N 1 0 219.328 2.031 10 0 BEAERO [NH3+][C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1 ZINC000082360260 384676242 /nfs/dbraw/zinc/67/62/42/384676242.db2.gz YESKNPSBHPOEBT-ZYHUDNBSSA-N 1 0 225.719 2.246 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CC=CC1 ZINC000076962937 384668681 /nfs/dbraw/zinc/66/86/81/384668681.db2.gz NBSWYPYFLURPHN-CYBMUJFWSA-N 1 0 238.375 2.045 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000048775655 384674827 /nfs/dbraw/zinc/67/48/27/384674827.db2.gz QBHVWBKEEVFWIE-ZCFIWIBFSA-N 1 0 230.670 2.026 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647188261 384635249 /nfs/dbraw/zinc/63/52/49/384635249.db2.gz ZNEKUWZFQWIGTF-ONGXEEELSA-N 1 0 233.302 2.315 10 0 BEAERO c1ccc(C[C@H]2OC[C@@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000100376366 384638532 /nfs/dbraw/zinc/63/85/32/384638532.db2.gz BFIHVAAIQMHVLM-ILXRZTDVSA-N 1 0 247.338 2.113 10 0 BEAERO c1coc(C[NH2+]C[C@H]2CC23CCOCC3)c1 ZINC000309637670 384675391 /nfs/dbraw/zinc/67/53/91/384675391.db2.gz SZUTUELUUJITNM-LLVKDONJSA-N 1 0 221.300 2.186 10 0 BEAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCCNC1=O ZINC000309873603 384683219 /nfs/dbraw/zinc/68/32/19/384683219.db2.gz RQLAGLPCVQJGOS-QJPTWQEYSA-N 1 0 226.364 2.069 10 0 BEAERO [NH3+]Cc1nccc(-c2ccc(Cl)cc2)n1 ZINC000082537549 384690512 /nfs/dbraw/zinc/69/05/12/384690512.db2.gz XSXLWMBFCHMRHB-UHFFFAOYSA-N 1 0 219.675 2.256 10 0 BEAERO Clc1ccc(OC[C@H]2CCC[NH2+]C2)nc1 ZINC000051883148 384697325 /nfs/dbraw/zinc/69/73/25/384697325.db2.gz WUGWZKZDQLHTIJ-VIFPVBQESA-N 1 0 226.707 2.113 10 0 BEAERO Clc1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000051883045 384697562 /nfs/dbraw/zinc/69/75/62/384697562.db2.gz SKWXFPVOABRKBB-SECBINFHSA-N 1 0 226.707 2.113 10 0 BEAERO C[C@@H](Cc1cccs1)[NH2+]Cc1nccn1C ZINC000051922143 384703930 /nfs/dbraw/zinc/70/39/30/384703930.db2.gz ZOQSWEYPGRUSLY-JTQLQIEISA-N 1 0 235.356 2.202 10 0 BEAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(N)=O)cc1 ZINC000021968376 384711496 /nfs/dbraw/zinc/71/14/96/384711496.db2.gz ZWZZVJICHQYBES-LLVKDONJSA-N 1 0 234.343 2.021 10 0 BEAERO C[C@H]1Sc2cc(F)c(F)cc2[C@H]1[NH3+] ZINC000043636036 384727590 /nfs/dbraw/zinc/72/75/90/384727590.db2.gz OUOGPHPRMJHWJU-MOFOKWOHSA-N 1 0 201.241 2.459 10 0 BEAERO CC[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000104866927 384716343 /nfs/dbraw/zinc/71/63/43/384716343.db2.gz BRFRYMHULIPECP-OLZOCXBDSA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+][C@@H]1c2cccc(Br)c2O[C@@H]1C ZINC000043634683 384716537 /nfs/dbraw/zinc/71/65/37/384716537.db2.gz TVLOVFRBPVEHKO-MUWHJKNJSA-N 1 0 242.116 2.491 10 0 BEAERO Cc1ccc(C[N@H+](C)C[C@H]2CCCO2)o1 ZINC000102671610 384722116 /nfs/dbraw/zinc/72/21/16/384722116.db2.gz TUEQGFBOXUKZRV-LLVKDONJSA-N 1 0 209.289 2.199 10 0 BEAERO CCC[C@H](CC)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000310004485 384777895 /nfs/dbraw/zinc/77/78/95/384777895.db2.gz GBHIHTKMGBIXKU-WDEREUQCSA-N 1 0 226.364 2.212 10 0 BEAERO N[C@H](C[NH3+])c1ccc(Cl)cc1C(F)(F)F ZINC000044473120 384740973 /nfs/dbraw/zinc/74/09/73/384740973.db2.gz YWHBAZACCIEICA-MRVPVSSYSA-N 1 0 238.640 2.317 10 0 BEAERO C[NH2+][C@H]1CCCN([C@@H](C)c2ccco2)C1 ZINC000053201237 384771810 /nfs/dbraw/zinc/77/18/10/384771810.db2.gz GDKHFJUURUXTQX-QWRGUYRKSA-N 1 0 208.305 2.024 10 0 BEAERO C[C@@H]([NH3+])CCc1cn(C)c2ccccc12 ZINC000024542475 384822690 /nfs/dbraw/zinc/82/26/90/384822690.db2.gz ZOARAUGBIPUCJR-SNVBAGLBSA-N 1 0 202.301 2.458 10 0 BEAERO CCCn1nc(C)c(C[N@H+](C)CC)c1C ZINC000126251774 384784981 /nfs/dbraw/zinc/78/49/81/384784981.db2.gz PIWATSMPXYJFBT-UHFFFAOYSA-N 1 0 209.337 2.362 10 0 BEAERO CC(C)CCOCC[N@@H+]1CCCC[C@H](CO)C1 ZINC000363481457 384789217 /nfs/dbraw/zinc/78/92/17/384789217.db2.gz SFRFVDWEBAANBZ-AWEZNQCLSA-N 1 0 243.391 2.144 10 0 BEAERO Cc1cn2c(n1)CC[C@@H]([NH2+]CCC(C)C)C2 ZINC000375511701 384791829 /nfs/dbraw/zinc/79/18/29/384791829.db2.gz PHCYNBDOBNYGQR-GFCCVEGCSA-N 1 0 221.348 2.142 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000174469772 384795261 /nfs/dbraw/zinc/79/52/61/384795261.db2.gz XKDGKNCRQYLFIJ-MNOVXSKESA-N 1 0 236.363 2.227 10 0 BEAERO CCCC(C[NH3+])(CCC)C(=O)OCC ZINC000053737996 384803827 /nfs/dbraw/zinc/80/38/27/384803827.db2.gz NSBPVTDPLKWUFO-UHFFFAOYSA-N 1 0 201.310 2.095 10 0 BEAERO CC[C@H]([NH2+]Cc1ncnn1CC)C(C)(C)C ZINC000310038786 384805270 /nfs/dbraw/zinc/80/52/70/384805270.db2.gz WKLOHEGRXCFVGV-JTQLQIEISA-N 1 0 224.352 2.212 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398115147 384807638 /nfs/dbraw/zinc/80/76/38/384807638.db2.gz YTJUZXSXDNOCFN-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO OC[C@H]1C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000258149975 384870051 /nfs/dbraw/zinc/87/00/51/384870051.db2.gz ZWTHSGBFDDJDDI-LDYMZIIASA-N 1 0 245.244 2.348 10 0 BEAERO CC[C@@H]([NH2+]C[C@H](C)CCO)C(C)(C)C ZINC000308626030 384875345 /nfs/dbraw/zinc/87/53/45/384875345.db2.gz WIGFHUHNBNHYGK-GHMZBOCLSA-N 1 0 201.354 2.419 10 0 BEAERO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000013907838 384880883 /nfs/dbraw/zinc/88/08/83/384880883.db2.gz LLSFXOUAPAZFIV-SNVBAGLBSA-N 1 0 241.294 2.354 10 0 BEAERO Cc1ccc(F)c(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000127324962 384881390 /nfs/dbraw/zinc/88/13/90/384881390.db2.gz SEJBHSFJMXYEOD-GXFFZTMASA-N 1 0 223.291 2.401 10 0 BEAERO C[NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000055421685 384884225 /nfs/dbraw/zinc/88/42/25/384884225.db2.gz SRRIYZVQYYXFMP-JTQLQIEISA-N 1 0 228.295 2.386 10 0 BEAERO Cc1ccoc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000126959008 384845353 /nfs/dbraw/zinc/84/53/53/384845353.db2.gz PICUYSARBKOGHM-VXGBXAGGSA-N 1 0 223.316 2.229 10 0 BEAERO Cn1ccc(C[NH2+]CCC2CCCC2)n1 ZINC000112339876 384854203 /nfs/dbraw/zinc/85/42/03/384854203.db2.gz AOWAABMXXBZXOC-UHFFFAOYSA-N 1 0 207.321 2.090 10 0 BEAERO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1cncnc1 ZINC000054767187 384854352 /nfs/dbraw/zinc/85/43/52/384854352.db2.gz XGAGWJHWPVDYCB-LBPRGKRZSA-N 1 0 229.283 2.237 10 0 BEAERO CC[C@H]([NH2+]CC(C)(C)O)c1nc(C)cs1 ZINC000112544271 384860174 /nfs/dbraw/zinc/86/01/74/384860174.db2.gz XMCGRYGEUTWUKO-VIFPVBQESA-N 1 0 228.361 2.263 10 0 BEAERO CC(C)CCC[NH2+][C@H]1CCCn2ncnc21 ZINC000363860951 384889236 /nfs/dbraw/zinc/88/92/36/384889236.db2.gz YTMPMXWYOQMIMV-NSHDSACASA-N 1 0 222.336 2.139 10 0 BEAERO Cc1ccc([C@@H](O)C[NH+]2CCCC2)cc1C ZINC000043501820 384862230 /nfs/dbraw/zinc/86/22/30/384862230.db2.gz UVSNGIMRMNUMNO-AWEZNQCLSA-N 1 0 219.328 2.433 10 0 BEAERO Cc1ccc(F)c(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000127138211 384869057 /nfs/dbraw/zinc/86/90/57/384869057.db2.gz ABBVSZKKEVVKIP-SNVBAGLBSA-N 1 0 225.307 2.383 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cscn1 ZINC000127864812 384955711 /nfs/dbraw/zinc/95/57/11/384955711.db2.gz GSYLWRYUBBFREX-AXFHLTTASA-N 1 0 240.372 2.345 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000123262733 384891470 /nfs/dbraw/zinc/89/14/70/384891470.db2.gz FGXFSVVMIJFYQD-RYUDHWBXSA-N 1 0 244.338 2.341 10 0 BEAERO Cc1ccc(C[N@H+](C)CCCCCO)o1 ZINC000051019819 384907143 /nfs/dbraw/zinc/90/71/43/384907143.db2.gz ZAADXVBWYQMKLF-UHFFFAOYSA-N 1 0 211.305 2.182 10 0 BEAERO CC[C@H]([NH2+]C[C@H](C)N(CC)CC)C1CC1 ZINC000127663409 384912564 /nfs/dbraw/zinc/91/25/64/384912564.db2.gz COGKCRGXSMALCU-AAEUAGOBSA-N 1 0 212.381 2.495 10 0 BEAERO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000586768397 384914720 /nfs/dbraw/zinc/91/47/20/384914720.db2.gz DMXYYGOFEUDFQD-VHSXEESVSA-N 1 0 249.301 2.161 10 0 BEAERO CCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106424576 384916141 /nfs/dbraw/zinc/91/61/41/384916141.db2.gz OTJIEGDNYOMOBL-AWEZNQCLSA-N 1 0 248.370 2.076 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187203835 384922872 /nfs/dbraw/zinc/92/28/72/384922872.db2.gz LAWXUOAEPXQNQA-ZWNOBZJWSA-N 1 0 244.338 2.094 10 0 BEAERO CCc1csc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000335579878 384930538 /nfs/dbraw/zinc/93/05/38/384930538.db2.gz JWHZKHWKGQRYST-WPRPVWTQSA-N 1 0 225.361 2.387 10 0 BEAERO C[C@@H]1[C@@H]([NH2+]C2COC2)C[C@@H]1c1ccccc1 ZINC000376862585 384935443 /nfs/dbraw/zinc/93/54/43/384935443.db2.gz YHVUAORSDLVZST-BPNCWPANSA-N 1 0 217.312 2.167 10 0 BEAERO CCC[C@](C)(O)C[NH2+][C@H]1CCCSC1 ZINC000128268285 384937219 /nfs/dbraw/zinc/93/72/19/384937219.db2.gz WSIOAIUNDJKXTL-QWRGUYRKSA-N 1 0 217.378 2.023 10 0 BEAERO CCC[C@H](C(=O)Nc1cc(C)ns1)[NH+](C)C ZINC000127719260 384938540 /nfs/dbraw/zinc/93/85/40/384938540.db2.gz BUPDYXCQVYRNKQ-SECBINFHSA-N 1 0 241.360 2.120 10 0 BEAERO Cc1sccc1C[NH2+][C@H]1CCO[C@H]1C ZINC000306430673 384941350 /nfs/dbraw/zinc/94/13/50/384941350.db2.gz QKOBIMSAUODISO-KWQFWETISA-N 1 0 211.330 2.324 10 0 BEAERO COc1ccc(CNCC[C@H](C)[NH3+])c(Cl)c1 ZINC000258769867 384943370 /nfs/dbraw/zinc/94/33/70/384943370.db2.gz NYWKUKYOHIETKU-VIFPVBQESA-N 1 0 242.750 2.176 10 0 BEAERO Fc1ccc(Cl)cc1CNC[C@H]1CC[NH2+]C1 ZINC000258835926 384947052 /nfs/dbraw/zinc/94/70/52/384947052.db2.gz GLPCAEJZSGVWBG-VIFPVBQESA-N 1 0 242.725 2.178 10 0 BEAERO C[N@@H+](Cc1ccns1)C[C@@H]1CCC[C@H](O)C1 ZINC000404384534 384972995 /nfs/dbraw/zinc/97/29/95/384972995.db2.gz ISUJCPXUCMPRHE-MNOVXSKESA-N 1 0 240.372 2.126 10 0 BEAERO C[C@H](Cc1ccccc1)N1CCC[C@H]([NH3+])C1 ZINC000062179932 384984786 /nfs/dbraw/zinc/98/47/86/384984786.db2.gz CEVQEUCFYMODHT-OCCSQVGLSA-N 1 0 218.344 2.041 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)nc1 ZINC000087782226 384989603 /nfs/dbraw/zinc/98/96/03/384989603.db2.gz CBXPNKHTSAGPLS-WCQYABFASA-N 1 0 220.316 2.047 10 0 BEAERO CC[C@@H](C)[N@H+](CCO)C[C@@H]1Cc2ccccc2O1 ZINC000377165822 385003194 /nfs/dbraw/zinc/00/31/94/385003194.db2.gz RUPBLCFBWNWDQA-OCCSQVGLSA-N 1 0 249.354 2.083 10 0 BEAERO CC(C)C1([NH2+]CC(=O)N2CCCCCC2)CC1 ZINC000339508496 385012097 /nfs/dbraw/zinc/01/20/97/385012097.db2.gz JEEVRASIHGPXIM-UHFFFAOYSA-N 1 0 238.375 2.167 10 0 BEAERO C[NH+](C)C1(c2cccc(O)c2)CCC(=O)CC1 ZINC000027086472 385016246 /nfs/dbraw/zinc/01/62/46/385016246.db2.gz HKLNGNRLBNQVOQ-UHFFFAOYSA-N 1 0 233.311 2.292 10 0 BEAERO [NH3+]Cc1ccc(OCc2ccccc2)cn1 ZINC000059680237 385050973 /nfs/dbraw/zinc/05/09/73/385050973.db2.gz QQPHJQQKPMJBKQ-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO Cc1c[nH]c(C[N@H+]2CCC[C@H](C)C2)c(C)c1=O ZINC000058823340 385026111 /nfs/dbraw/zinc/02/61/11/385026111.db2.gz IKSXICQZWOTIAL-JTQLQIEISA-N 1 0 234.343 2.224 10 0 BEAERO Cn1cc([C@H]2CC[N@H+](Cc3ccco3)C2)cn1 ZINC000128357404 385026899 /nfs/dbraw/zinc/02/68/99/385026899.db2.gz VORQABUPEZCVKI-NSHDSACASA-N 1 0 231.299 2.003 10 0 BEAERO C[Si](C)(C)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000377272567 385028532 /nfs/dbraw/zinc/02/85/32/385028532.db2.gz DYIHTOKEPIQDGV-GHMZBOCLSA-N 1 0 213.397 2.021 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1ccsc1 ZINC000061363070 385112196 /nfs/dbraw/zinc/11/21/96/385112196.db2.gz YUIYHRVNAYYHOX-GDPRMGEGSA-N 1 0 211.330 2.312 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccco1 ZINC000165415161 385123769 /nfs/dbraw/zinc/12/37/69/385123769.db2.gz IWKOWKYFTDUKQG-YPMHNXCESA-N 1 0 223.316 2.430 10 0 BEAERO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCSC1 ZINC000061589440 385126468 /nfs/dbraw/zinc/12/64/68/385126468.db2.gz MHADGQYDKYLPHX-GFCCVEGCSA-N 1 0 239.388 2.136 10 0 BEAERO CCc1nnc(C[N@@H+](CC)C[C@H](C)CC)n1C ZINC000177852177 385126912 /nfs/dbraw/zinc/12/69/12/385126912.db2.gz MAYBTIGNYNZYQR-LLVKDONJSA-N 1 0 238.379 2.246 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)c1cncc(F)c1 ZINC000129240892 385127671 /nfs/dbraw/zinc/12/76/71/385127671.db2.gz BYWDKQONGMCVIE-KWBADKCTSA-N 1 0 238.306 2.032 10 0 BEAERO Cc1ccsc1[C@@H]([NH3+])C1CCOCC1 ZINC000061672197 385128519 /nfs/dbraw/zinc/12/85/19/385128519.db2.gz BLCQFZJUJXDCNU-JTQLQIEISA-N 1 0 211.330 2.483 10 0 BEAERO CC[C@@H]1C[N@@H+](C2CCC(=O)CC2)CCS1 ZINC000157264259 385129529 /nfs/dbraw/zinc/12/95/29/385129529.db2.gz CRKJVPZAJOLWJB-GFCCVEGCSA-N 1 0 227.373 2.326 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000119383666 385090691 /nfs/dbraw/zinc/09/06/91/385090691.db2.gz IRPNONPVTFAPIH-KOLCDFICSA-N 1 0 228.361 2.263 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccnn1CC ZINC000119429609 385093389 /nfs/dbraw/zinc/09/33/89/385093389.db2.gz XWTMJWYAHOBHMO-ZYHUDNBSSA-N 1 0 207.321 2.181 10 0 BEAERO CC[C@@H]([NH2+]C[C@@](C)(O)CC)c1nccs1 ZINC000119381582 385093943 /nfs/dbraw/zinc/09/39/43/385093943.db2.gz SRHJCFDFXIBYGV-KOLCDFICSA-N 1 0 228.361 2.345 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccnn1CC ZINC000119429325 385094722 /nfs/dbraw/zinc/09/47/22/385094722.db2.gz XWTMJWYAHOBHMO-PWSUYJOCSA-N 1 0 207.321 2.181 10 0 BEAERO C[NH2+]Cc1sc([C@@H]2CCCO2)nc1C ZINC000062214218 385094984 /nfs/dbraw/zinc/09/49/84/385094984.db2.gz QEMXGPLUVXOJKJ-QMMMGPOBSA-N 1 0 212.318 2.022 10 0 BEAERO CC[C@](C)(O)C[NH+]1Cc2ccccc2C1 ZINC000119416092 385095737 /nfs/dbraw/zinc/09/57/37/385095737.db2.gz UIAWVIFBPZQOKW-ZDUSSCGKSA-N 1 0 205.301 2.163 10 0 BEAERO C[NH2+][C@H](c1cccs1)[C@@H]1CCCOC1 ZINC000062231314 385102774 /nfs/dbraw/zinc/10/27/74/385102774.db2.gz PZNGWKAFINJWKL-KOLCDFICSA-N 1 0 211.330 2.435 10 0 BEAERO [NH3+]Cc1cnnn1-c1cc(Cl)cc(Cl)c1 ZINC000062237744 385103155 /nfs/dbraw/zinc/10/31/55/385103155.db2.gz BVXFOBDDMYKCRN-UHFFFAOYSA-N 1 0 243.097 2.033 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1c1nc(-c2cccs2)no1 ZINC000070999960 385106056 /nfs/dbraw/zinc/10/60/56/385106056.db2.gz HFRNANVOKYDALC-YUMQZZPRSA-N 1 0 235.312 2.393 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(F)(F)F ZINC000246433780 385162866 /nfs/dbraw/zinc/16/28/66/385162866.db2.gz HDMQXWFULGEORO-UWVGGRQHSA-N 1 0 236.281 2.107 10 0 BEAERO CCOC[C@@H](C)[NH2+]Cc1cnc(CC)s1 ZINC000044691855 385217534 /nfs/dbraw/zinc/21/75/34/385217534.db2.gz CQQLJETUICGPLN-SECBINFHSA-N 1 0 228.361 2.220 10 0 BEAERO CC(C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019507180 385218929 /nfs/dbraw/zinc/21/89/29/385218929.db2.gz KLBCDQKNHCNNMB-AGIUHOORSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1cscc1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000306876793 385221583 /nfs/dbraw/zinc/22/15/83/385221583.db2.gz CBCWGMTZYUWFQV-ZJUUUORDSA-N 1 0 210.346 2.466 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)N(C)C ZINC000308890895 385245917 /nfs/dbraw/zinc/24/59/17/385245917.db2.gz XOQAXJKCBLUUEA-GRYCIOLGSA-N 1 0 216.344 2.054 10 0 BEAERO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C1CCC1 ZINC000336326609 385203838 /nfs/dbraw/zinc/20/38/38/385203838.db2.gz SOMJAEVNRGAJIC-ONGXEEELSA-N 1 0 219.332 2.045 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]CC[C@H]1CCOC1 ZINC000346870258 385265896 /nfs/dbraw/zinc/26/58/96/385265896.db2.gz LSTFSQFRCQWWDB-WCQYABFASA-N 1 0 233.311 2.136 10 0 BEAERO CC(C)N(C)c1ccc(C[NH2+][C@H]2C[C@@H]2C)cn1 ZINC000190952178 385272154 /nfs/dbraw/zinc/27/21/54/385272154.db2.gz WUHSXTHIJSBBNV-AAEUAGOBSA-N 1 0 233.359 2.424 10 0 BEAERO O=C(c1ccsc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000215681688 385323022 /nfs/dbraw/zinc/32/30/22/385323022.db2.gz LVPOQEDDJVEXCC-LLVKDONJSA-N 1 0 221.325 2.273 10 0 BEAERO CCOc1ccc([C@@H]2C[NH2+]C[C@@H]2CF)cc1 ZINC000409424430 385332211 /nfs/dbraw/zinc/33/22/11/385332211.db2.gz ZWUAMXNSVOJMDG-AAEUAGOBSA-N 1 0 223.291 2.358 10 0 BEAERO C[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000409424596 385333410 /nfs/dbraw/zinc/33/34/10/385333410.db2.gz WRRGXIPNKICCCZ-ZFWWWQNUSA-N 1 0 233.355 2.322 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@@H]1CC1(C)C ZINC000308995832 385337753 /nfs/dbraw/zinc/33/77/53/385337753.db2.gz MNOWSFSQIDKBRG-BJDJZHNGSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1cnn(CCNc2cc[nH+]cc2C)c1 ZINC000191980779 385339094 /nfs/dbraw/zinc/33/90/94/385339094.db2.gz HPDWLNGDWOYEGR-UHFFFAOYSA-N 1 0 216.288 2.007 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CC)C1CCCC1 ZINC000193247151 385389092 /nfs/dbraw/zinc/38/90/92/385389092.db2.gz IPYTWRJNCBTDLB-CQSZACIVSA-N 1 0 243.391 2.429 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccsc1 ZINC000309025323 385366540 /nfs/dbraw/zinc/36/65/40/385366540.db2.gz ZPGDDEXOMSPAJF-PDEGPIFNSA-N 1 0 223.341 2.291 10 0 BEAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccn2C)cn1 ZINC000131960247 385369543 /nfs/dbraw/zinc/36/95/43/385369543.db2.gz GIUQKPXEKZBYHB-CQSZACIVSA-N 1 0 244.342 2.096 10 0 BEAERO C[C@@H]([NH2+]C1(CO)CC1)C1C(C)(C)C1(C)C ZINC000309021942 385374214 /nfs/dbraw/zinc/37/42/14/385374214.db2.gz XRZONGBYMKNBQF-SECBINFHSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000192977644 385377964 /nfs/dbraw/zinc/37/79/64/385377964.db2.gz OKIKAASARHUOTK-TZMCWYRMSA-N 1 0 249.354 2.219 10 0 BEAERO CN(C)[C@@H](C[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000309034183 385380361 /nfs/dbraw/zinc/38/03/61/385380361.db2.gz HBEKXRABYDSUKS-RYUDHWBXSA-N 1 0 210.365 2.105 10 0 BEAERO CCn1nccc1-c1cc(C[NH3+])ccc1C ZINC000164948876 385328420 /nfs/dbraw/zinc/32/84/20/385328420.db2.gz OMWKBBYYOFRHIR-UHFFFAOYSA-N 1 0 215.300 2.337 10 0 BEAERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(F)cn1 ZINC000168991587 385398405 /nfs/dbraw/zinc/39/84/05/385398405.db2.gz KVRYBSKBNBTTSR-LLVKDONJSA-N 1 0 225.311 2.030 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309108458 385425949 /nfs/dbraw/zinc/42/59/49/385425949.db2.gz IXFZPEXJKDAWKA-RYDUCSDGSA-N 1 0 209.333 2.332 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN(C)c1ccccc1 ZINC000020071681 385410681 /nfs/dbraw/zinc/41/06/81/385410681.db2.gz RJPZTXQBTRPVEK-GFCCVEGCSA-N 1 0 206.333 2.496 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]CC(=O)N(C)C2CC2)c1 ZINC000160231148 385421687 /nfs/dbraw/zinc/42/16/87/385421687.db2.gz QQSBILQTUYVPQU-GFCCVEGCSA-N 1 0 246.354 2.266 10 0 BEAERO CC[C@H]([NH2+]Cc1cn(C(C)C)nn1)C(C)C ZINC000309175214 385445030 /nfs/dbraw/zinc/44/50/30/385445030.db2.gz BZJIXARTPNRNAZ-LBPRGKRZSA-N 1 0 224.352 2.383 10 0 BEAERO Cc1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170874802 385453498 /nfs/dbraw/zinc/45/34/98/385453498.db2.gz FAMBTAPWTJMHFY-CYBMUJFWSA-N 1 0 247.342 2.163 10 0 BEAERO c1ccc(NC[C@H]2CC[N@H+](CC3CC3)C2)nc1 ZINC000156473977 385455374 /nfs/dbraw/zinc/45/53/74/385455374.db2.gz SRUCHPMNIUVJSS-CYBMUJFWSA-N 1 0 231.343 2.225 10 0 BEAERO CCC[C@H](C(=O)NC[C@@H](C)C(C)C)[NH+](C)C ZINC000179404217 385466103 /nfs/dbraw/zinc/46/61/03/385466103.db2.gz TZFGYNXHOZMLCW-VXGBXAGGSA-N 1 0 228.380 2.125 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000052762358 385466652 /nfs/dbraw/zinc/46/66/52/385466652.db2.gz VZGRZWSRJLWPRI-ZDUSSCGKSA-N 1 0 211.349 2.414 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H]1CCCN1C)C(C)(C)C ZINC000336770806 385472550 /nfs/dbraw/zinc/47/25/50/385472550.db2.gz VYLRVWBIKZTKCF-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000328579582 385491672 /nfs/dbraw/zinc/49/16/72/385491672.db2.gz PWKLLLMGZOWOCC-QWHCGFSZSA-N 1 0 247.338 2.331 10 0 BEAERO CC(C)n1ccnc1CN1CCS[C@@H](C)C1 ZINC000171686243 385507178 /nfs/dbraw/zinc/50/71/78/385507178.db2.gz BCFXQLBSCOZEEA-NSHDSACASA-N 1 0 239.388 2.401 10 0 BEAERO FC(F)(F)Oc1cccc2c1C[NH2+]C2 ZINC000257899159 385508569 /nfs/dbraw/zinc/50/85/69/385508569.db2.gz DHVHYSJKKATCKU-UHFFFAOYSA-N 1 0 203.163 2.188 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccccc1 ZINC000282222210 385526343 /nfs/dbraw/zinc/52/63/43/385526343.db2.gz DYYHNZHCNIFQHX-MBNYWOFBSA-N 1 0 246.354 2.047 10 0 BEAERO COc1ccc(/C=C/C[NH3+])c(Br)c1 ZINC000258189569 385552014 /nfs/dbraw/zinc/55/20/14/385552014.db2.gz AYEXFEFIYHQLNY-NSCUHMNNSA-N 1 0 242.116 2.430 10 0 BEAERO CC[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000181124369 385564052 /nfs/dbraw/zinc/56/40/52/385564052.db2.gz DZLHSVOBJWRECT-LLVKDONJSA-N 1 0 234.347 2.151 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000054075190 385594337 /nfs/dbraw/zinc/59/43/37/385594337.db2.gz ARVCIDKKFOKDKF-MWLCHTKSSA-N 1 0 238.356 2.020 10 0 BEAERO COC(=O)C[C@@H]([NH3+])c1csc2ccccc21 ZINC000054462690 385595655 /nfs/dbraw/zinc/59/56/55/385595655.db2.gz YSTHYNLIOXIOJZ-SNVBAGLBSA-N 1 0 235.308 2.464 10 0 BEAERO C[C@@]1([NH2+]C[C@]2(C)CCCS2)CCOC1 ZINC000306713384 385596264 /nfs/dbraw/zinc/59/62/64/385596264.db2.gz COSIVAQXLXOAAA-MNOVXSKESA-N 1 0 215.362 2.041 10 0 BEAERO COc1ccccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037164428 385597278 /nfs/dbraw/zinc/59/72/78/385597278.db2.gz BMUIEJDPPHFNOQ-OLZOCXBDSA-N 1 0 235.327 2.088 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037164477 385597355 /nfs/dbraw/zinc/59/73/55/385597355.db2.gz DTKGYLWDKYDYGZ-UONOGXRCSA-N 1 0 219.328 2.388 10 0 BEAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CCCC1 ZINC000036906789 385590586 /nfs/dbraw/zinc/59/05/86/385590586.db2.gz APWFHIAUSLIRSB-QMMMGPOBSA-N 1 0 230.764 2.497 10 0 BEAERO COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]C(C)C ZINC000309459709 385591651 /nfs/dbraw/zinc/59/16/51/385591651.db2.gz NNZVKYDPDUBWOJ-NWDGAFQWSA-N 1 0 227.348 2.496 10 0 BEAERO CCOC(=O)[C@@H]1CCCC[N@@H+](C(C)C)C1 ZINC000259739821 385640966 /nfs/dbraw/zinc/64/09/66/385640966.db2.gz OTTZFSBZOAXJOT-LLVKDONJSA-N 1 0 213.321 2.060 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)[C@H]1CCCO1 ZINC000309531081 385666286 /nfs/dbraw/zinc/66/62/86/385666286.db2.gz DIVSGARZIJVGBW-QNWHQSFQSA-N 1 0 227.348 2.101 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000309523367 385654965 /nfs/dbraw/zinc/65/49/65/385654965.db2.gz ACRWWNFYHNJKHO-CHWSQXEVSA-N 1 0 227.323 2.451 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C1CCOCC1 ZINC000336734131 385659096 /nfs/dbraw/zinc/65/90/96/385659096.db2.gz MVPHVIQFCOVXRC-JQWIXIFHSA-N 1 0 215.312 2.283 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1ccc2c(c1)CCC2 ZINC000259177959 385684279 /nfs/dbraw/zinc/68/42/79/385684279.db2.gz NAHMQWUPPMEQEA-VIFPVBQESA-N 1 0 203.285 2.095 10 0 BEAERO Cn1ccc(C[NH2+][C@H]2CCC[C@H]2CCF)n1 ZINC000309553253 385686872 /nfs/dbraw/zinc/68/68/72/385686872.db2.gz GRTTYHQXFWPVOD-JQWIXIFHSA-N 1 0 225.311 2.038 10 0 BEAERO C[C@@]1(c2ccc(Br)s2)C[C@@H]1[NH3+] ZINC000052126301 385699796 /nfs/dbraw/zinc/69/97/96/385699796.db2.gz OQXWNZJBPKQZRC-YLWLKBPMSA-N 1 0 232.146 2.499 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2cccnc2)C[C@H](C)O1 ZINC000282177399 385738788 /nfs/dbraw/zinc/73/87/88/385738788.db2.gz JSWXSECIOQMYMZ-RYUDHWBXSA-N 1 0 234.343 2.375 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccccn1 ZINC000270928570 385760002 /nfs/dbraw/zinc/76/00/02/385760002.db2.gz PRMXIGTZMDONRN-SGMGOOAPSA-N 1 0 234.343 2.283 10 0 BEAERO Clc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000309645708 385767970 /nfs/dbraw/zinc/76/79/70/385767970.db2.gz QGWQKFIYBXCEEG-XYYAHUGASA-N 1 0 237.730 2.322 10 0 BEAERO OC[C@@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000258657573 385777104 /nfs/dbraw/zinc/77/71/04/385777104.db2.gz DUHKAFVDSAHLTM-LLVKDONJSA-N 1 0 246.137 2.217 10 0 BEAERO Nc1cc(C[NH+]2CCCCC2)ccc1F ZINC000259281289 385783099 /nfs/dbraw/zinc/78/30/99/385783099.db2.gz HNMCCDRVZPQKTP-UHFFFAOYSA-N 1 0 208.280 2.394 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)c(N)c1 ZINC000052294166 385722081 /nfs/dbraw/zinc/72/20/81/385722081.db2.gz KROBGBWWUCMGLO-HQJQHLMTSA-N 1 0 210.708 2.420 10 0 BEAERO C[C@H]1CC[C@@]2(CS1)[NH2+]CCCS2 ZINC000575534666 385899396 /nfs/dbraw/zinc/89/93/96/385899396.db2.gz LPCCPBLPJSVQSA-DTWKUNHWSA-N 1 0 203.376 2.325 10 0 BEAERO CN[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414964767 385910101 /nfs/dbraw/zinc/91/01/01/385910101.db2.gz CDSCXATVACSGQP-RAIGVLPGSA-N 1 0 210.365 2.153 10 0 BEAERO Nc1ccc(S[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051784213 385919035 /nfs/dbraw/zinc/91/90/35/385919035.db2.gz XDCRCFOZJYVZPW-MRVPVSSYSA-N 1 0 228.748 2.376 10 0 BEAERO CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336725842 385862841 /nfs/dbraw/zinc/86/28/41/385862841.db2.gz GLQJAXFHDBDECD-IJLUTSLNSA-N 1 0 217.328 2.265 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](CC1CCC1)CC2 ZINC000088023391 385977586 /nfs/dbraw/zinc/97/75/86/385977586.db2.gz GCXBFFXXMWWSRD-KBPBESRZSA-N 1 0 223.360 2.414 10 0 BEAERO CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023415 385977689 /nfs/dbraw/zinc/97/76/89/385977689.db2.gz ATFICSAHQJDBCD-OLZOCXBDSA-N 1 0 211.349 2.414 10 0 BEAERO CC[C@@H]([NH2+]CCn1cc(C)cn1)C(C)C ZINC000123914998 385943630 /nfs/dbraw/zinc/94/36/30/385943630.db2.gz FCXFFNZDWPDTFE-GFCCVEGCSA-N 1 0 209.337 2.216 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cccc(OC)n1 ZINC000233415808 385949465 /nfs/dbraw/zinc/94/94/65/385949465.db2.gz JZWUJBQJKIYBSU-JQWIXIFHSA-N 1 0 220.316 2.368 10 0 BEAERO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cccs1 ZINC000295113409 385970241 /nfs/dbraw/zinc/97/02/41/385970241.db2.gz WKJAITHCKNLPGD-MWLCHTKSSA-N 1 0 211.330 2.093 10 0 BEAERO C[C@H]1C[C@]([NH3+])(c2sccc2Cl)CO1 ZINC000575564199 386048940 /nfs/dbraw/zinc/04/89/40/386048940.db2.gz DGPGGJGOOLXYQX-IMTBSYHQSA-N 1 0 217.721 2.364 10 0 BEAERO C/C=C/[C@@H]([NH3+])c1cncc(Br)c1 ZINC000575564008 386054796 /nfs/dbraw/zinc/05/47/96/386054796.db2.gz ZHLNFCJBJRYHLM-GKQMSVHHSA-N 1 0 227.105 2.420 10 0 BEAERO CCOCC[NH2+]Cc1nc2ccccc2n1CC ZINC000037979084 386111993 /nfs/dbraw/zinc/11/19/93/386111993.db2.gz PYGVPSQNCOPSQU-UHFFFAOYSA-N 1 0 247.342 2.182 10 0 BEAERO C[C@@H]([NH3+])c1cnc(C2CCOCC2)s1 ZINC000054160637 386112257 /nfs/dbraw/zinc/11/22/57/386112257.db2.gz XLPKOUWZNLMGKK-SSDOTTSWSA-N 1 0 212.318 2.057 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnn1C ZINC000336729525 386122421 /nfs/dbraw/zinc/12/24/21/386122421.db2.gz HSIFAJRZBMNDDN-YPMHNXCESA-N 1 0 221.348 2.479 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129518012 386082712 /nfs/dbraw/zinc/08/27/12/386082712.db2.gz ZIYJOIPGKRKJMH-KGLIPLIRSA-N 1 0 246.354 2.191 10 0 BEAERO C[C@H]1C[C@]([NH3+])(c2ccc(Cl)s2)CO1 ZINC000575567768 386095743 /nfs/dbraw/zinc/09/57/43/386095743.db2.gz ZTJMUGRRCYPNTP-IMTBSYHQSA-N 1 0 217.721 2.364 10 0 BEAERO [NH3+][C@]1(c2cscc2Br)CCOC1 ZINC000575567759 386097387 /nfs/dbraw/zinc/09/73/87/386097387.db2.gz LBJOONJVNYQNJV-MRVPVSSYSA-N 1 0 248.145 2.085 10 0 BEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCC2CCCC2)C1 ZINC000055087939 386154271 /nfs/dbraw/zinc/15/42/71/386154271.db2.gz KGPOEEVVAHASBQ-STQMWFEESA-N 1 0 238.375 2.200 10 0 BEAERO CC1(C)Oc2cccc(O)c2C2=C1CC[NH2+]C2 ZINC000224926959 386157647 /nfs/dbraw/zinc/15/76/47/386157647.db2.gz CDUMWDGVKATTMZ-UHFFFAOYSA-N 1 0 231.295 2.310 10 0 BEAERO C[C@H]1CC[C@@]([NH3+])(c2cnsc2)CS1 ZINC000575573309 386161832 /nfs/dbraw/zinc/16/18/32/386161832.db2.gz XARUJMYOTWVSOO-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO C[N@@H+](Cc1cccc2c1NCC2)CC1CC1 ZINC000130502020 386169579 /nfs/dbraw/zinc/16/95/79/386169579.db2.gz GQMWGSMNTQFJJV-UHFFFAOYSA-N 1 0 216.328 2.496 10 0 BEAERO C[NH2+][C@@](C)(CO)c1ccc(Cl)c(Cl)c1 ZINC000038121149 386124454 /nfs/dbraw/zinc/12/44/54/386124454.db2.gz WIRARKNKKHOXAG-JTQLQIEISA-N 1 0 234.126 2.420 10 0 BEAERO C[C@H](CCC1CCCC1)[NH2+][C@@H]1C[C@H]1CO ZINC000382373399 386141214 /nfs/dbraw/zinc/14/12/14/386141214.db2.gz HEXHGKYQJXTSJN-KGYLQXTDSA-N 1 0 211.349 2.316 10 0 BEAERO C[N@H+](C[C@@H]1Cc2ccccc21)C[C@H]1CCC[C@H]1O ZINC000287649889 386141334 /nfs/dbraw/zinc/14/13/34/386141334.db2.gz GPDHCZJPSJPSSO-IJEWVQPXSA-N 1 0 245.366 2.419 10 0 BEAERO Cc1ncc([C@]2([NH3+])CCS[C@H]2C)s1 ZINC000575571406 386142934 /nfs/dbraw/zinc/14/29/34/386142934.db2.gz UZKAKMVCDADOMK-RCOVLWMOSA-N 1 0 214.359 2.131 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000130777451 386202660 /nfs/dbraw/zinc/20/26/60/386202660.db2.gz XIUZNPNJSJYXDE-SKDRFNHKSA-N 1 0 237.299 2.344 10 0 BEAERO [NH3+]C[C@@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC000131406550 386206377 /nfs/dbraw/zinc/20/63/77/386206377.db2.gz PZYRBXOONCHHFD-HNNXBMFYSA-N 1 0 230.355 2.487 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])Cc1ccc(Br)o1 ZINC000575582697 386249187 /nfs/dbraw/zinc/24/91/87/386249187.db2.gz RYAYOKXDIXLJQR-HZGVNTEJSA-N 1 0 230.105 2.322 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccncc1Br ZINC000575582755 386252180 /nfs/dbraw/zinc/25/21/80/386252180.db2.gz HFKJRRXBDGQENO-NBEYISGCSA-N 1 0 241.132 2.295 10 0 BEAERO [NH3+]CCCN1CCCC[C@@H]1c1nccs1 ZINC000414696340 386197364 /nfs/dbraw/zinc/19/73/64/386197364.db2.gz QBBDIMBSOXXQLC-SNVBAGLBSA-N 1 0 225.361 2.019 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000164749760 386285326 /nfs/dbraw/zinc/28/53/26/386285326.db2.gz CVWYNKGSKLAJEI-GRYCIOLGSA-N 1 0 234.347 2.281 10 0 BEAERO CSC1(C[NH2+]C[C@H]2CC23CCOCC3)CC1 ZINC000336660681 386300832 /nfs/dbraw/zinc/30/08/32/386300832.db2.gz CLQZRLLPQWZPID-LLVKDONJSA-N 1 0 241.400 2.288 10 0 BEAERO C[C@@H](O)CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000336683152 386345473 /nfs/dbraw/zinc/34/54/73/386345473.db2.gz SOVKHDUHGBVGOS-GHMZBOCLSA-N 1 0 240.372 2.441 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000347393052 386378970 /nfs/dbraw/zinc/37/89/70/386378970.db2.gz MCKFZDKIIBPPHZ-KBPBESRZSA-N 1 0 241.375 2.183 10 0 BEAERO CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366344214 386379945 /nfs/dbraw/zinc/37/99/45/386379945.db2.gz FFARPEPLDYMTHL-GRYCIOLGSA-N 1 0 238.375 2.151 10 0 BEAERO CCSCC[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000336754457 386438818 /nfs/dbraw/zinc/43/88/18/386438818.db2.gz HJTPYBVSOAEOBD-NEPJUHHUSA-N 1 0 231.405 2.390 10 0 BEAERO Cc1cccc(OCC[N@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399196935 386447321 /nfs/dbraw/zinc/44/73/21/386447321.db2.gz DMTOXKDQZVKHEI-KBPBESRZSA-N 1 0 249.354 2.219 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000135198240 386490018 /nfs/dbraw/zinc/49/00/18/386490018.db2.gz ZIYJOIPGKRKJMH-UONOGXRCSA-N 1 0 246.354 2.191 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1nc(C)ccc1O ZINC000165045519 386498751 /nfs/dbraw/zinc/49/87/51/386498751.db2.gz MKSSVAXMYQXDMT-MNOVXSKESA-N 1 0 220.316 2.374 10 0 BEAERO [NH3+][C@H]1CCOc2cc(F)cc(Br)c21 ZINC000238602847 386508497 /nfs/dbraw/zinc/50/84/97/386508497.db2.gz YSWPWJMKDVVYGT-ZETCQYMHSA-N 1 0 246.079 2.371 10 0 BEAERO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000399222912 386460185 /nfs/dbraw/zinc/46/01/85/386460185.db2.gz XIKTYDWKTCUJJF-KWCYVHTRSA-N 1 0 231.339 2.172 10 0 BEAERO CC(C)(C)[C@@H]1CCC[C@]1([NH3+])c1ncc[nH]1 ZINC000521401704 386461419 /nfs/dbraw/zinc/46/14/19/386461419.db2.gz NATQVRRMWWNESM-JOYOIKCWSA-N 1 0 207.321 2.410 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)C(C)(C)C ZINC000336644147 386586364 /nfs/dbraw/zinc/58/63/64/386586364.db2.gz AEBZFTBYCVKSIV-ISTVAULSSA-N 1 0 219.394 2.168 10 0 BEAERO Cn1cccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245514587 386596053 /nfs/dbraw/zinc/59/60/53/386596053.db2.gz GFFHVKIIEUQWBM-KGLIPLIRSA-N 1 0 234.343 2.169 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@](C)(CC)C1 ZINC000399372880 386531480 /nfs/dbraw/zinc/53/14/80/386531480.db2.gz MVYPUEGDTQKVDJ-KBPBESRZSA-N 1 0 243.391 2.286 10 0 BEAERO CN(Cc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911533 386532478 /nfs/dbraw/zinc/53/24/78/386532478.db2.gz XAUSFIGJHDOOQC-AWEZNQCLSA-N 1 0 236.334 2.257 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2CCOC2(C)C)C[C@@H](C)O1 ZINC000340380044 386542024 /nfs/dbraw/zinc/54/20/24/386542024.db2.gz CXIGYBZEYBUURH-NQBHXWOUSA-N 1 0 241.375 2.347 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136191802 386569240 /nfs/dbraw/zinc/56/92/40/386569240.db2.gz WBIKIMJDROIRKY-TZMCWYRMSA-N 1 0 238.375 2.023 10 0 BEAERO CCN(CC)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336782300 386627350 /nfs/dbraw/zinc/62/73/50/386627350.db2.gz XEZSSLDFOGGOPB-QWHCGFSZSA-N 1 0 230.371 2.446 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000647907297 386655142 /nfs/dbraw/zinc/65/51/42/386655142.db2.gz KFGYRLWNSWEKDU-LEWSCRJBSA-N 1 0 246.354 2.164 10 0 BEAERO C[C@H](CNC(=O)Nc1ccccc1)[NH+]1CCCC1 ZINC000027350776 386682221 /nfs/dbraw/zinc/68/22/21/386682221.db2.gz BKYGPBVPKHMCBR-GFCCVEGCSA-N 1 0 247.342 2.292 10 0 BEAERO Cc1ccnc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000043561776 386709440 /nfs/dbraw/zinc/70/94/40/386709440.db2.gz NYOJOHJLONNNJX-FUNVUKJBSA-N 1 0 231.343 2.109 10 0 BEAERO CCc1ccc(CN2CCC([NH2+]C)CC2)cc1 ZINC000049961196 386683566 /nfs/dbraw/zinc/68/35/66/386683566.db2.gz DKNMCRDFWKLSBM-UHFFFAOYSA-N 1 0 232.371 2.433 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336761141 386756845 /nfs/dbraw/zinc/75/68/45/386756845.db2.gz MWNUSRLTNOVHFE-WOPDTQHZSA-N 1 0 209.333 2.049 10 0 BEAERO C[C@@H]1OCC[C@@]1([NH3+])c1sccc1Cl ZINC000575449296 386791289 /nfs/dbraw/zinc/79/12/89/386791289.db2.gz GDUUIXAAUJWKOB-RCOVLWMOSA-N 1 0 217.721 2.364 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCC12CCC2 ZINC000336761847 386785267 /nfs/dbraw/zinc/78/52/67/386785267.db2.gz NQLZUOWBAUWRLL-QWRGUYRKSA-N 1 0 211.349 2.316 10 0 BEAERO Cn1nc(C[NH+]2CCCCC2)c2c1NCCCC2 ZINC000003697795 386802994 /nfs/dbraw/zinc/80/29/94/386802994.db2.gz BYDDEHLWKZAAQE-UHFFFAOYSA-N 1 0 248.374 2.154 10 0 BEAERO Cc1ncc([C@H](F)[C@H]2CCC[NH2+]2)s1 ZINC000575451743 386805693 /nfs/dbraw/zinc/80/56/93/386805693.db2.gz MZIFSSZCSANLLO-VXNVDRBHSA-N 1 0 200.282 2.214 10 0 BEAERO C(C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)C1CC1 ZINC000334789989 386853773 /nfs/dbraw/zinc/85/37/73/386853773.db2.gz RWYBINBAQMXRTM-CHWSQXEVSA-N 1 0 221.344 2.287 10 0 BEAERO c1coc([C@H]2CCCN2Cc2ncc[nH]2)c1 ZINC000116293376 386933267 /nfs/dbraw/zinc/93/32/67/386933267.db2.gz KPQUZEOANFTKRJ-SNVBAGLBSA-N 1 0 217.272 2.340 10 0 BEAERO C[C@](O)(C[N@@H+]1C[C@H]2CCCC[C@H]21)C(F)(F)F ZINC000368054025 386935601 /nfs/dbraw/zinc/93/56/01/386935601.db2.gz JPYSSMXCOMVPEO-BBBLOLIVSA-N 1 0 237.265 2.174 10 0 BEAERO CCCC1(C[NH2+]CC2(O)CCOCC2)CCC1 ZINC000518965897 386958292 /nfs/dbraw/zinc/95/82/92/386958292.db2.gz YZDPMMIBCACJGQ-UHFFFAOYSA-N 1 0 241.375 2.088 10 0 BEAERO CCc1cc(N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc[nH+]1 ZINC000398736325 386976157 /nfs/dbraw/zinc/97/61/57/386976157.db2.gz DRNQAZQESARSDV-SLEUVZQESA-N 1 0 246.354 2.241 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](CCCCCF)C[C@H]2C1 ZINC000398766778 386989113 /nfs/dbraw/zinc/98/91/13/386989113.db2.gz FEQYACMUPGBGHA-JHJVBQTASA-N 1 0 229.339 2.219 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2C1 ZINC000398777984 386991407 /nfs/dbraw/zinc/99/14/07/386991407.db2.gz MLHYCJDYUJZGRE-UMVBOHGHSA-N 1 0 249.329 2.419 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2C1 ZINC000398805084 386995504 /nfs/dbraw/zinc/99/55/04/386995504.db2.gz UURMUTBKRZANQD-BZUAXINKSA-N 1 0 245.366 2.322 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C1 ZINC000398806303 386997711 /nfs/dbraw/zinc/99/77/11/386997711.db2.gz TVHJHHIUQIJNAU-OPRDCNLKSA-N 1 0 237.265 2.032 10 0 BEAERO CCCn1cc(C[NH2+]CCc2ccccn2)cn1 ZINC000116912037 386997930 /nfs/dbraw/zinc/99/79/30/386997930.db2.gz ZQBZBXMLGJNIDV-UHFFFAOYSA-N 1 0 244.342 2.020 10 0 BEAERO [NH3+][C@@H](c1cncs1)[C@H]1CCCCS1 ZINC000575463414 387043663 /nfs/dbraw/zinc/04/36/63/387043663.db2.gz ZYQAZJQTIVOYHB-VXNVDRBHSA-N 1 0 214.359 2.429 10 0 BEAERO Cc1cc([C@@]2([NH3+])CCCSC2)sn1 ZINC000575464277 387044961 /nfs/dbraw/zinc/04/49/61/387044961.db2.gz HXVCQOQCQVVAAL-SECBINFHSA-N 1 0 214.359 2.133 10 0 BEAERO CC[C@@H]([NH3+])CNc1cc(C(F)(F)F)ccn1 ZINC000085486247 387063931 /nfs/dbraw/zinc/06/39/31/387063931.db2.gz GEHLXUFNISWNCR-MRVPVSSYSA-N 1 0 233.237 2.250 10 0 BEAERO CC(C)c1cnc(N2CC[NH2+]C(C)(C)C2)s1 ZINC000334978158 387065094 /nfs/dbraw/zinc/06/50/94/387065094.db2.gz JENXKUMPXXVUAR-UHFFFAOYSA-N 1 0 239.388 2.455 10 0 BEAERO Cc1nnc(C[NH2+]C2(C3CCC3)CCC2)o1 ZINC000519101879 387010253 /nfs/dbraw/zinc/01/02/53/387010253.db2.gz KTNJEGQBHIQRHV-UHFFFAOYSA-N 1 0 221.304 2.190 10 0 BEAERO O[C@H]1CCC[N@H+](CCC(F)(F)C(F)(F)F)C1 ZINC000575411065 387012538 /nfs/dbraw/zinc/01/25/38/387012538.db2.gz WHGFQYJYHLTXCN-ZETCQYMHSA-N 1 0 247.207 2.031 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@H]2COC(C)(C)C2)C[C@@H](C)O1 ZINC000418051676 387071336 /nfs/dbraw/zinc/07/13/36/387071336.db2.gz YZPBTYDIFXMAMV-NQBHXWOUSA-N 1 0 241.375 2.347 10 0 BEAERO COc1ncccc1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322334496 259705225 /nfs/dbraw/zinc/70/52/25/259705225.db2.gz PPHOGBXIRGDWAV-HOSYDEDBSA-N 1 0 220.316 2.224 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+]CC(C)C)C12CCOCC2 ZINC000186197671 387076210 /nfs/dbraw/zinc/07/62/10/387076210.db2.gz SVKLDNOKFJVXDT-QWHCGFSZSA-N 1 0 241.375 2.206 10 0 BEAERO c1sc(N[C@@H]2CC[NH2+]C2)nc1-c1ccccc1 ZINC000334991124 387080282 /nfs/dbraw/zinc/08/02/82/387080282.db2.gz AHJPOKMRHQBTML-LLVKDONJSA-N 1 0 245.351 2.006 10 0 BEAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000246372728 387080883 /nfs/dbraw/zinc/08/08/83/387080883.db2.gz MIPMHIUCNIFMTH-OLZOCXBDSA-N 1 0 235.331 2.116 10 0 BEAERO CC(C)(C)OCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000068334085 387105745 /nfs/dbraw/zinc/10/57/45/387105745.db2.gz ZELAOBODSVZMGS-QWHCGFSZSA-N 1 0 241.375 2.445 10 0 BEAERO [NH3+][C@@H](CC(F)F)c1ccc(O)cc1F ZINC000575437301 387106359 /nfs/dbraw/zinc/10/63/59/387106359.db2.gz CPDYQVITKNBVEE-QMMMGPOBSA-N 1 0 205.179 2.186 10 0 BEAERO CC(C)[C@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186513887 387106571 /nfs/dbraw/zinc/10/65/71/387106571.db2.gz WTCXUEUOEVZYJJ-RYUDHWBXSA-N 1 0 238.375 2.022 10 0 BEAERO COc1cccc([C@H]([NH3+])CC(F)F)c1OC ZINC000575437233 387107843 /nfs/dbraw/zinc/10/78/43/387107843.db2.gz BPVSTUKBYIEYIT-MRVPVSSYSA-N 1 0 231.242 2.359 10 0 BEAERO [NH3+][C@H](CC(F)F)c1ccc2c(c1)CCO2 ZINC000575437547 387108832 /nfs/dbraw/zinc/10/88/32/387108832.db2.gz IQZZVMZFXNUNSL-SECBINFHSA-N 1 0 213.227 2.277 10 0 BEAERO COc1ccc(F)c([C@@H]([NH3+])CC(F)F)c1 ZINC000575437643 387109920 /nfs/dbraw/zinc/10/99/20/387109920.db2.gz LMWQHSCFFSFFJY-VIFPVBQESA-N 1 0 219.206 2.489 10 0 BEAERO COc1cc(OC)cc([C@H]([NH3+])CC(F)F)c1 ZINC000575437825 387110567 /nfs/dbraw/zinc/11/05/67/387110567.db2.gz VSIMYEVZPVBKGH-SNVBAGLBSA-N 1 0 231.242 2.359 10 0 BEAERO [NH3+][C@H](CC(F)F)c1ccc2c(c1)OCCO2 ZINC000575437926 387113520 /nfs/dbraw/zinc/11/35/20/387113520.db2.gz ZARZXIONYVIPTJ-MRVPVSSYSA-N 1 0 229.226 2.113 10 0 BEAERO COc1ccc(F)c([C@@H]([NH3+])CCF)c1F ZINC000575438137 387115286 /nfs/dbraw/zinc/11/52/86/387115286.db2.gz GLPWDAOQVWKRLX-ZETCQYMHSA-N 1 0 219.206 2.333 10 0 BEAERO [NH3+][C@@H](CNc1ccc2ccccc2n1)C1CC1 ZINC000113502436 387117742 /nfs/dbraw/zinc/11/77/42/387117742.db2.gz VZEWDZBHHVYCPN-LBPRGKRZSA-N 1 0 227.311 2.384 10 0 BEAERO COc1c(C[N@@H+]2CCCC3(CC3)C2)c(C)nn1C ZINC000186607955 387117716 /nfs/dbraw/zinc/11/77/16/387117716.db2.gz ANXYOKJPHUTXSX-UHFFFAOYSA-N 1 0 249.358 2.113 10 0 BEAERO COc1ccc([C@H]([NH3+])CCF)cc1F ZINC000575438781 387118573 /nfs/dbraw/zinc/11/85/73/387118573.db2.gz APFSVZOZIMHYCE-SECBINFHSA-N 1 0 201.216 2.194 10 0 BEAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000335026028 387118811 /nfs/dbraw/zinc/11/88/11/387118811.db2.gz ROWMZQGDORMZHJ-STQMWFEESA-N 1 0 209.333 2.430 10 0 BEAERO [NH3+][C@H](CCF)c1ccc(F)c(F)c1F ZINC000575440269 387127158 /nfs/dbraw/zinc/12/71/58/387127158.db2.gz YGABBYPGDMVHCA-SSDOTTSWSA-N 1 0 207.170 2.463 10 0 BEAERO CCCCCCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000370626219 387128887 /nfs/dbraw/zinc/12/88/87/387128887.db2.gz HBHGENICIPDENQ-TZMCWYRMSA-N 1 0 238.375 2.073 10 0 BEAERO CN(C)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000023069857 387149348 /nfs/dbraw/zinc/14/93/48/387149348.db2.gz FXOGIUBNPMYFMF-SNVBAGLBSA-N 1 0 232.249 2.267 10 0 BEAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000120036127 387150203 /nfs/dbraw/zinc/15/02/03/387150203.db2.gz MSDLLUDDJHMYDR-CQSZACIVSA-N 1 0 249.358 2.363 10 0 BEAERO Clc1ccc2c(c1)NCC21CC[NH2+]CC1 ZINC000113323731 387157277 /nfs/dbraw/zinc/15/72/77/387157277.db2.gz QASQEQURBCSOQN-UHFFFAOYSA-N 1 0 222.719 2.387 10 0 BEAERO COc1ccccc1[C@@H]1C[C@H]2C[NH2+]C[C@@H]21 ZINC000238369558 387157914 /nfs/dbraw/zinc/15/79/14/387157914.db2.gz NFDCQXVGLRUBCP-DLOVCJGASA-N 1 0 203.285 2.018 10 0 BEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186978359 387159748 /nfs/dbraw/zinc/15/97/48/387159748.db2.gz XZGYJJRGBOYREV-LBPRGKRZSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H](C[NH3+])Nc1cccc(F)c1Cl ZINC000575478218 387160184 /nfs/dbraw/zinc/16/01/84/387160184.db2.gz JXMBULXUBJUUAK-ZCFIWIBFSA-N 1 0 202.660 2.238 10 0 BEAERO CCc1nc2snc(C[NH3+])c2c(C)c1C ZINC000536953852 387166661 /nfs/dbraw/zinc/16/66/61/387166661.db2.gz JMPYRLLMTOZSAI-UHFFFAOYSA-N 1 0 221.329 2.329 10 0 BEAERO C[C@H]1CC[C@H]([NH3+])CN1CC=C(Cl)Cl ZINC000575480112 387169063 /nfs/dbraw/zinc/16/90/63/387169063.db2.gz HDHFLOPSYGJJEA-YUMQZZPRSA-N 1 0 223.147 2.117 10 0 BEAERO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000536957495 387170569 /nfs/dbraw/zinc/17/05/69/387170569.db2.gz GJFLAZAAQXIUNF-URLYPYJESA-N 1 0 242.363 2.288 10 0 BEAERO C/C(=C/Cl)C[C@]1([NH3+])CCOC1(C)C ZINC000575479305 387175568 /nfs/dbraw/zinc/17/55/68/387175568.db2.gz YQWBMDWEECTJDS-GQYWMQPJSA-N 1 0 203.713 2.416 10 0 BEAERO C/C(=C\Cl)C[C@]1([NH3+])CCOC1(C)C ZINC000575479309 387176244 /nfs/dbraw/zinc/17/62/44/387176244.db2.gz YQWBMDWEECTJDS-QROSGCPLSA-N 1 0 203.713 2.416 10 0 BEAERO CC[C@@]1(C(=O)NCCC2CCCC2)CC[NH2+]C1 ZINC000062893952 387177598 /nfs/dbraw/zinc/17/75/98/387177598.db2.gz MLIQLWTZBQBCJK-CQSZACIVSA-N 1 0 238.375 2.073 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@H]1O ZINC000251146101 387184024 /nfs/dbraw/zinc/18/40/24/387184024.db2.gz XIUZBCHEGVAMOT-KWCYVHTRSA-N 1 0 237.343 2.494 10 0 BEAERO C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CS1 ZINC000575483049 387187445 /nfs/dbraw/zinc/18/74/45/387187445.db2.gz NPMQOHYXCCCIRN-BQBZGAKWSA-N 1 0 207.289 2.268 10 0 BEAERO CC(C)(C)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000093151050 387216902 /nfs/dbraw/zinc/21/69/02/387216902.db2.gz JDIFAPSVZLKGAG-UHFFFAOYSA-N 1 0 248.374 2.035 10 0 BEAERO [NH3+][C@@H]1CCO[C@H]1c1ccsc1Br ZINC000575593174 387224440 /nfs/dbraw/zinc/22/44/40/387224440.db2.gz YEVMDMLJNQTYRA-RQJHMYQMSA-N 1 0 248.145 2.299 10 0 BEAERO Cn1ccnc1C[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187718589 387231582 /nfs/dbraw/zinc/23/15/82/387231582.db2.gz AXJMSOYWUUUGGP-LBPRGKRZSA-N 1 0 233.359 2.227 10 0 BEAERO Cn1ccnc1C[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187718608 387231826 /nfs/dbraw/zinc/23/18/26/387231826.db2.gz AXJMSOYWUUUGGP-GFCCVEGCSA-N 1 0 233.359 2.227 10 0 BEAERO CC(C)(C)c1ncc(C[NH2+]C2(CO)CC2)s1 ZINC000120376127 387234107 /nfs/dbraw/zinc/23/41/07/387234107.db2.gz IXHPVPROQGQICG-UHFFFAOYSA-N 1 0 240.372 2.055 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000575488129 387256221 /nfs/dbraw/zinc/25/62/21/387256221.db2.gz VXAJJUHTRFEROD-SNVBAGLBSA-N 1 0 240.347 2.186 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000575488231 387256688 /nfs/dbraw/zinc/25/66/88/387256688.db2.gz KNZXCUHBVPROCH-BFHYXJOUSA-N 1 0 243.354 2.489 10 0 BEAERO Cc1ncc(-c2cnc(C[NH3+])s2)s1 ZINC000575490583 387257059 /nfs/dbraw/zinc/25/70/59/387257059.db2.gz IAFQMZJFPUNXCY-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C[C@@H](C)C1 ZINC000392871586 387293574 /nfs/dbraw/zinc/29/35/74/387293574.db2.gz QMCCIDWONMWRQP-OBPIAQAESA-N 1 0 238.375 2.068 10 0 BEAERO C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[C@@H](C)C1 ZINC000392871588 387294157 /nfs/dbraw/zinc/29/41/57/387294157.db2.gz QMCCIDWONMWRQP-OFTGVCEQSA-N 1 0 238.375 2.068 10 0 BEAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392908209 387300597 /nfs/dbraw/zinc/30/05/97/387300597.db2.gz YKYMXWBTLUTDOQ-CYDGBPFRSA-N 1 0 240.391 2.458 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321758410 387300779 /nfs/dbraw/zinc/30/07/79/387300779.db2.gz CFNNFXZCXLOTPP-NDBYEHHHSA-N 1 0 210.365 2.105 10 0 BEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCOC)C12CCCC2 ZINC000121161521 387304296 /nfs/dbraw/zinc/30/42/96/387304296.db2.gz HGJGFNACDWJVCN-CHWSQXEVSA-N 1 0 241.375 2.302 10 0 BEAERO C[NH+]1CCC(c2nccc(NC(C)(C)C)n2)CC1 ZINC000575601385 387361555 /nfs/dbraw/zinc/36/15/55/387361555.db2.gz CRNLKPMJDFJXDL-UHFFFAOYSA-N 1 0 248.374 2.496 10 0 BEAERO CN(C)c1cccc(C(F)(F)F)c1C[NH3+] ZINC000575601631 387362020 /nfs/dbraw/zinc/36/20/20/387362020.db2.gz KDNRKWKPFSDALC-UHFFFAOYSA-N 1 0 218.222 2.230 10 0 BEAERO [NH3+]Cc1c(Br)oc2c1CCCC2 ZINC000575602891 387366836 /nfs/dbraw/zinc/36/68/36/387366836.db2.gz ZPDBZEYZSWZHBY-UHFFFAOYSA-N 1 0 230.105 2.380 10 0 BEAERO C[NH2+][C@H]1CO[C@@H](c2ccc(Br)o2)C1 ZINC000575507930 387367852 /nfs/dbraw/zinc/36/78/52/387367852.db2.gz OAVYMFQFXYQXCT-HTRCEHHLSA-N 1 0 246.104 2.092 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2ccccc2Br)C1 ZINC000575506503 387373162 /nfs/dbraw/zinc/37/31/62/387373162.db2.gz AVRWOQMXDNULQF-GMSGAONNSA-N 1 0 242.116 2.238 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2ccc(Cl)s2)C1 ZINC000575507486 387375798 /nfs/dbraw/zinc/37/57/98/387375798.db2.gz HSUGMWLWTPQTJQ-WDSKDSINSA-N 1 0 203.694 2.190 10 0 BEAERO CNC(=[NH2+])c1ccc(Br)c(F)c1C ZINC000575507701 387380511 /nfs/dbraw/zinc/38/05/11/387380511.db2.gz MNEZWYICPJHVII-UHFFFAOYSA-N 1 0 245.095 2.441 10 0 BEAERO [NH3+]C1CC([C@H](O)c2sccc2Cl)C1 ZINC000575495091 387324142 /nfs/dbraw/zinc/32/41/42/387324142.db2.gz WOUJNVMPNNMPAJ-QIECLKSESA-N 1 0 217.721 2.172 10 0 BEAERO [NH3+]C1([C@@H](O)c2ccsc2Cl)CCC1 ZINC000575497723 387336679 /nfs/dbraw/zinc/33/66/79/387336679.db2.gz KCRBEHXKLPGAHI-ZETCQYMHSA-N 1 0 217.721 2.316 10 0 BEAERO C[NH2+]C1CC(c2cncc(Br)c2)C1 ZINC000575499446 387340961 /nfs/dbraw/zinc/34/09/61/387340961.db2.gz LJMRKFNQJAZXBT-UHFFFAOYSA-N 1 0 241.132 2.310 10 0 BEAERO [NH3+]C1CC(c2ccc(Br)cn2)C1 ZINC000575499957 387344750 /nfs/dbraw/zinc/34/47/50/387344750.db2.gz PHWCLLPPEAGBGA-UHFFFAOYSA-N 1 0 227.105 2.049 10 0 BEAERO CC(C)(CCN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000643463547 387348436 /nfs/dbraw/zinc/34/84/36/387348436.db2.gz CQFMRJXFISWVJJ-AWEZNQCLSA-N 1 0 232.371 2.306 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1CCC[C@@H](F)C1 ZINC000575515506 387424232 /nfs/dbraw/zinc/42/42/32/387424232.db2.gz PNXVFADITFKBGV-GFCCVEGCSA-N 1 0 235.306 2.145 10 0 BEAERO [NH3+][C@@H](C(=O)Nc1ccsc1Cl)C1CC1 ZINC000306577433 387437908 /nfs/dbraw/zinc/43/79/08/387437908.db2.gz LINJYSWHNVKSEX-SSDOTTSWSA-N 1 0 230.720 2.077 10 0 BEAERO F[C@H](c1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000575518684 387439131 /nfs/dbraw/zinc/43/91/31/387439131.db2.gz PXSPMWTXCOVOMF-APPZFPTMSA-N 1 0 200.282 2.153 10 0 BEAERO CC1(C)[C@@H]([NH2+][C@@H]2CCCSC2)[C@@H]2CCO[C@@H]21 ZINC000162574784 387439416 /nfs/dbraw/zinc/43/94/16/387439416.db2.gz LXYPTTHQSVDWMN-RHYQMDGZSA-N 1 0 241.400 2.285 10 0 BEAERO C[C@@H]1CC[C@@](F)(c2cncs2)C[NH2+]1 ZINC000575518751 387439847 /nfs/dbraw/zinc/43/98/47/387439847.db2.gz SXEZCIJZKQGMQM-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO CCOc1ccc(OCC)c(C[NH3+])c1C ZINC000575721266 387443051 /nfs/dbraw/zinc/44/30/51/387443051.db2.gz HJKUXAVXYKCNMW-UHFFFAOYSA-N 1 0 209.289 2.251 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000575522979 387446355 /nfs/dbraw/zinc/44/63/55/387446355.db2.gz LSFSGXWTINOSNJ-VHSXEESVSA-N 1 0 242.363 2.417 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1CCC(F)CC1 ZINC000575513898 387386599 /nfs/dbraw/zinc/38/65/99/387386599.db2.gz BCCMPSVFJGWHCP-UHFFFAOYSA-N 1 0 235.306 2.145 10 0 BEAERO Cc1c(F)c(Br)ccc1C(N)=[NH2+] ZINC000575509331 387391835 /nfs/dbraw/zinc/39/18/35/387391835.db2.gz WSYMOSSXPSQAIA-UHFFFAOYSA-N 1 0 231.068 2.181 10 0 BEAERO CC1(C)[C@@H]([NH2+]CCC(F)(F)F)[C@@H]2CCO[C@@H]21 ZINC000082944424 387392322 /nfs/dbraw/zinc/39/23/22/387392322.db2.gz OMRBYRGKNXPZON-CIUDSAMLSA-N 1 0 237.265 2.342 10 0 BEAERO Cc1nnc(SC[C@@H]2CC[C@@H]([NH3+])C2)s1 ZINC000306570199 387397538 /nfs/dbraw/zinc/39/75/38/387397538.db2.gz YDHYMEFTVFDNIM-HTQZYQBOSA-N 1 0 229.374 2.066 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396813147 387498301 /nfs/dbraw/zinc/49/83/01/387498301.db2.gz DQSUOPMLAHTVDM-CHWSQXEVSA-N 1 0 242.407 2.120 10 0 BEAERO CC[C@](O)(c1cccc(OC)c1)[C@H]1CC[N@H+](C)C1 ZINC000584635035 387506514 /nfs/dbraw/zinc/50/65/14/387506514.db2.gz IQRCDMKTJPPCPO-ZFWWWQNUSA-N 1 0 249.354 2.245 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1C[C@H]2CC[C@@H]2C1 ZINC000575525512 387525611 /nfs/dbraw/zinc/52/56/11/387525611.db2.gz KDGWDKJPHFYCLO-CHWSQXEVSA-N 1 0 229.327 2.053 10 0 BEAERO COc1ccc(C)cc1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400810553 387468492 /nfs/dbraw/zinc/46/84/92/387468492.db2.gz YEJDGFZEBRYUCD-VXGBXAGGSA-N 1 0 234.343 2.414 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC(C(=O)OC)CC1 ZINC000336723736 387582653 /nfs/dbraw/zinc/58/26/53/387582653.db2.gz YWBITTXFTOOILP-POOIEITISA-N 1 0 239.359 2.496 10 0 BEAERO [NH3+]CC1(Nc2nc(Cl)cs2)CCC1 ZINC000575539656 387584109 /nfs/dbraw/zinc/58/41/09/387584109.db2.gz YYJUWOIKGNZTJP-UHFFFAOYSA-N 1 0 217.725 2.090 10 0 BEAERO C/C(=C/Br)[C@@H]1CCC[NH2+]C1 ZINC000575544326 387592792 /nfs/dbraw/zinc/59/27/92/387592792.db2.gz CZBHLICOGCHYFW-GRKOMRHMSA-N 1 0 204.111 2.285 10 0 BEAERO C/C(=C/Br)C[C@@H]1CCC[NH2+]1 ZINC000575545724 387629703 /nfs/dbraw/zinc/62/97/03/387629703.db2.gz NITZKISXSFNTQU-UAPHAKCISA-N 1 0 204.111 2.427 10 0 BEAERO c1ccc([C@@H]2C[C@H]3[NH2+]CCC[C@H]3O2)cc1 ZINC000319639077 387547956 /nfs/dbraw/zinc/54/79/56/387547956.db2.gz BYHKVRAIUQZFCW-UPJWGTAASA-N 1 0 203.285 2.269 10 0 BEAERO C[C@@H]1OCC[C@@]1([NH3+])CC=C(Cl)Cl ZINC000575531574 387549141 /nfs/dbraw/zinc/54/91/41/387549141.db2.gz PUZCTQFOKNGQMT-XPUUQOCRSA-N 1 0 210.104 2.202 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035139680 387555111 /nfs/dbraw/zinc/55/51/11/387555111.db2.gz GRTWSLPJXSNJBO-VHSXEESVSA-N 1 0 240.372 2.313 10 0 BEAERO C[C@@H]1CS[C@]2(CC[C@@H](C)SC2)[NH2+]1 ZINC000575534356 387556447 /nfs/dbraw/zinc/55/64/47/387556447.db2.gz IWYMWHQZTYUXMF-HLTSFMKQSA-N 1 0 203.376 2.323 10 0 BEAERO CC(C)[C@H](C(=O)N[C@H](C)C1CCCC1)[C@@H](C)[NH3+] ZINC000399617919 387562060 /nfs/dbraw/zinc/56/20/60/387562060.db2.gz YBRBAZYXMYMKDF-WZRBSPASSA-N 1 0 240.391 2.301 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccncc1 ZINC000037889176 387568449 /nfs/dbraw/zinc/56/84/49/387568449.db2.gz BYSIZXZXWFNVKT-YUTCNCBUSA-N 1 0 234.343 2.426 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284198479 387576866 /nfs/dbraw/zinc/57/68/66/387576866.db2.gz BPJZJYPCCVRPDD-JQWIXIFHSA-N 1 0 249.358 2.041 10 0 BEAERO [NH3+][C@@H]1C/C(=C/Br)C12CCC2 ZINC000575547184 387637784 /nfs/dbraw/zinc/63/77/84/387637784.db2.gz YBJYMIRMYOKKNI-KXTMECRCSA-N 1 0 202.095 2.167 10 0 BEAERO C[C@@H](N[C@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000422731688 387640726 /nfs/dbraw/zinc/64/07/26/387640726.db2.gz OAGSXVRVOOXANM-RKDXNWHRSA-N 1 0 240.297 2.223 10 0 BEAERO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)C1(C)CC1 ZINC000123052111 387641583 /nfs/dbraw/zinc/64/15/83/387641583.db2.gz BCSREFGHBGWBMD-MDZLAQPJSA-N 1 0 222.376 2.247 10 0 BEAERO CCC[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019512704 387642615 /nfs/dbraw/zinc/64/26/15/387642615.db2.gz ZFSORHXQERCPTO-CYDGBPFRSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@]([NH3+])(c1ccsc1)c1cnsc1 ZINC000575548177 387644440 /nfs/dbraw/zinc/64/44/40/387644440.db2.gz BSCVAMPHSSYSJO-SECBINFHSA-N 1 0 210.327 2.427 10 0 BEAERO [NH3+]C1(c2ccc(F)c(Cl)c2)CSC1 ZINC000575553748 387657318 /nfs/dbraw/zinc/65/73/18/387657318.db2.gz GSNUCVKUYPSCQB-UHFFFAOYSA-N 1 0 217.696 2.380 10 0 BEAERO C[C@H]([NH2+]CCC(C)(F)F)[C@H]1CCC[NH2+]C1 ZINC000643491395 387665102 /nfs/dbraw/zinc/66/51/02/387665102.db2.gz IFZHQBOGAVOCSK-UWVGGRQHSA-N 1 0 220.307 2.009 10 0 BEAERO CCSCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123215275 387669009 /nfs/dbraw/zinc/66/90/09/387669009.db2.gz MGNJOUBBMRPZRK-VXGBXAGGSA-N 1 0 230.421 2.154 10 0 BEAERO COC[C@@H]([NH2+][C@H](CC(C)C)CN(C)C)C(C)C ZINC000126355330 387679319 /nfs/dbraw/zinc/67/93/19/387679319.db2.gz YRUFFUJZWDHKAW-ZIAGYGMSSA-N 1 0 244.423 2.223 10 0 BEAERO CCC1CCC([NH2+]CCCn2ccnn2)CC1 ZINC000126470931 387682436 /nfs/dbraw/zinc/68/24/36/387682436.db2.gz FGDXEMRLZVKHAU-UHFFFAOYSA-N 1 0 236.363 2.227 10 0 BEAERO COC[C@@H]([NH2+]CCOC1CCCCC1)C1CC1 ZINC000126512640 387687208 /nfs/dbraw/zinc/68/72/08/387687208.db2.gz YPEFIZQDRNIBRX-CQSZACIVSA-N 1 0 241.375 2.350 10 0 BEAERO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)C2)n1 ZINC000128455778 387748088 /nfs/dbraw/zinc/74/80/88/387748088.db2.gz CDDDYVIVJAZTLN-MWLCHTKSSA-N 1 0 220.316 2.374 10 0 BEAERO Cc1ncc([C@]2([NH3+])CS[C@H](C)C2)s1 ZINC000575573104 387754157 /nfs/dbraw/zinc/75/41/57/387754157.db2.gz SRQJFTXUKPYILB-HZGVNTEJSA-N 1 0 214.359 2.131 10 0 BEAERO Cc1cc(C)cc(Cn2cc(C[C@@H](C)[NH3+])cn2)c1 ZINC000054741441 177903895 /nfs/dbraw/zinc/90/38/95/177903895.db2.gz XPCNOBFBOLBRKR-CYBMUJFWSA-N 1 0 243.354 2.438 10 0 BEAERO [NH3+][C@@]1(C2CC2)CCCN(Cc2ccccc2)C1 ZINC000575561792 387707131 /nfs/dbraw/zinc/70/71/31/387707131.db2.gz VDWGBFUVKDGPCP-HNNXBMFYSA-N 1 0 230.355 2.390 10 0 BEAERO Cc1cc(C)cc(Cc2ncc(CC[NH3+])cn2)c1 ZINC000054857461 177902794 /nfs/dbraw/zinc/90/27/94/177902794.db2.gz JIFXHISAOMKUCY-UHFFFAOYSA-N 1 0 241.338 2.185 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000127253606 387708978 /nfs/dbraw/zinc/70/89/78/387708978.db2.gz GLYOMVPPPOZQNC-GFCCVEGCSA-N 1 0 221.348 2.360 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CO)CCCO2 ZINC000127579823 387720152 /nfs/dbraw/zinc/72/01/52/387720152.db2.gz KNOWMQAQNCQSNC-AAEUAGOBSA-N 1 0 235.327 2.179 10 0 BEAERO Cc1ncsc1[C@]1([NH3+])CS[C@H](C)C1 ZINC000575569098 387730241 /nfs/dbraw/zinc/73/02/41/387730241.db2.gz BVZFLUVBSDGLIF-HZGVNTEJSA-N 1 0 214.359 2.131 10 0 BEAERO C[C@H]1SCCC[C@]1([NH3+])c1cncs1 ZINC000575567516 387736724 /nfs/dbraw/zinc/73/67/24/387736724.db2.gz YAAVYLBVCXTDDN-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO C[C@H]1COC[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000575570556 387738749 /nfs/dbraw/zinc/73/87/49/387738749.db2.gz KOAFXEJPUSMCRN-RCOVLWMOSA-N 1 0 217.721 2.222 10 0 BEAERO CC[C@@H]([NH3+])c1ncsc1Br ZINC000575571499 387739411 /nfs/dbraw/zinc/73/94/11/387739411.db2.gz WDJRAKGFAHGTGJ-SCSAIBSYSA-N 1 0 221.123 2.315 10 0 BEAERO CC[C@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCO1 ZINC000052097002 387802827 /nfs/dbraw/zinc/80/28/27/387802827.db2.gz FUFIOKMXZPWJQG-GJZGRUSLSA-N 1 0 249.354 2.005 10 0 BEAERO CCSCC[NH2+]Cc1cccc2c1OCO2 ZINC000128898068 387757655 /nfs/dbraw/zinc/75/76/55/387757655.db2.gz JUIOERYCPNKEGK-UHFFFAOYSA-N 1 0 239.340 2.258 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1)C(N)=O ZINC000264898319 387821388 /nfs/dbraw/zinc/82/13/88/387821388.db2.gz VJHUEUHKSNKKMP-YPMHNXCESA-N 1 0 234.343 2.218 10 0 BEAERO Cc1cc(C)c([C@]2(C)OC[C@H](C[NH3+])O2)c(C)c1 ZINC000049827651 177876451 /nfs/dbraw/zinc/87/64/51/177876451.db2.gz NEQHNRIKGOCZSL-GXTWGEPZSA-N 1 0 235.327 2.159 10 0 BEAERO CCC[C@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194599526 387884955 /nfs/dbraw/zinc/88/49/55/387884955.db2.gz NFKAAHUSIBMMTF-LBPRGKRZSA-N 1 0 238.375 2.119 10 0 BEAERO C[C@@H]1CN(c2nccc3ccccc32)CC[C@@H]1[NH3+] ZINC000168735829 387908464 /nfs/dbraw/zinc/90/84/64/387908464.db2.gz LKWJWZVEVOQPMU-RISCZKNCSA-N 1 0 241.338 2.408 10 0 BEAERO CCC(CC)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000195412070 387914309 /nfs/dbraw/zinc/91/43/09/387914309.db2.gz HWBDHZBGDWFCIJ-UHFFFAOYSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1csc([C@H]2CCC[N@H+](CCCO)C2)n1 ZINC000195441152 387915038 /nfs/dbraw/zinc/91/50/38/387915038.db2.gz MHQGQNKEILKEFH-NSHDSACASA-N 1 0 240.372 2.013 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195247581 387916298 /nfs/dbraw/zinc/91/62/98/387916298.db2.gz QDTGXEBUSUEDHD-QWHCGFSZSA-N 1 0 238.375 2.119 10 0 BEAERO COC(=O)c1cccnc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000459371144 387933908 /nfs/dbraw/zinc/93/39/08/387933908.db2.gz ROOWPVYGBDYKAL-PHIMTYICSA-N 1 0 248.326 2.241 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCN[C@H]1C)C1CCCC1 ZINC000396646582 387928487 /nfs/dbraw/zinc/92/84/87/387928487.db2.gz CHESCNUPURHXCY-GMXVVIOVSA-N 1 0 210.365 2.295 10 0 BEAERO CC[C@@H]([NH3+])c1noc(-c2cccs2)n1 ZINC000041052422 387959682 /nfs/dbraw/zinc/95/96/82/387959682.db2.gz LVDPMAVNCKTTBT-ZCFIWIBFSA-N 1 0 209.274 2.208 10 0 BEAERO CC[C@H]([NH3+])c1noc(-c2cccs2)n1 ZINC000041052421 387959992 /nfs/dbraw/zinc/95/99/92/387959992.db2.gz LVDPMAVNCKTTBT-LURJTMIESA-N 1 0 209.274 2.208 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@@H]1C[C@H]1C ZINC000322031761 387960865 /nfs/dbraw/zinc/96/08/65/387960865.db2.gz MHDBUUOGWXHDTM-NJMOYASZSA-N 1 0 211.349 2.172 10 0 BEAERO Cc1cc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)on1 ZINC000044585828 177817793 /nfs/dbraw/zinc/81/77/93/177817793.db2.gz MKRUHALTMOJTDB-VIFPVBQESA-N 1 0 245.282 2.255 10 0 BEAERO C[C@H]1CC[N@@H+](C2CCC2)C[C@H]1n1ccnc1 ZINC000245589309 387964118 /nfs/dbraw/zinc/96/41/18/387964118.db2.gz FZCCVSNSGTYVTE-WCQYABFASA-N 1 0 219.332 2.319 10 0 BEAERO CC(C)(C)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245688730 387972930 /nfs/dbraw/zinc/97/29/30/387972930.db2.gz ANYGYUCWVHVEFC-GHMZBOCLSA-N 1 0 229.389 2.239 10 0 BEAERO CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000245855528 387988805 /nfs/dbraw/zinc/98/88/05/387988805.db2.gz OJZMSKGYVKCORR-XBFCOCLRSA-N 1 0 246.354 2.204 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C1CCC1 ZINC000645923286 387984272 /nfs/dbraw/zinc/98/42/72/387984272.db2.gz PYTRUUBTXHWGIY-QWHCGFSZSA-N 1 0 238.375 2.151 10 0 BEAERO CCC(CC)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000245856545 387987122 /nfs/dbraw/zinc/98/71/22/387987122.db2.gz DRZIMIACRSGDHI-ZDUSSCGKSA-N 1 0 242.407 2.075 10 0 BEAERO CN1CC[N@H+](CCCF)[C@@H](c2ccccc2)C1 ZINC000246017825 388002167 /nfs/dbraw/zinc/00/21/67/388002167.db2.gz ZWLFCUKLJUCXSQ-CQSZACIVSA-N 1 0 236.334 2.335 10 0 BEAERO CC[C@@H]([NH3+])C(=O)c1c(F)cccc1Cl ZINC000306620753 388011418 /nfs/dbraw/zinc/01/14/18/388011418.db2.gz XUTYHMFMLKJSNH-MRVPVSSYSA-N 1 0 215.655 2.399 10 0 BEAERO CC[C@H](C)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246158331 388014547 /nfs/dbraw/zinc/01/45/47/388014547.db2.gz CYFBZMUHLCLXQH-NWDGAFQWSA-N 1 0 221.348 2.256 10 0 BEAERO CC(C)(C)OC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000082609843 388037020 /nfs/dbraw/zinc/03/70/20/388037020.db2.gz RSZAJDMSCKVLQG-NSHDSACASA-N 1 0 240.347 2.092 10 0 BEAERO CC[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000083423606 388051616 /nfs/dbraw/zinc/05/16/16/388051616.db2.gz YIYKVCOXOHAFIS-AWEZNQCLSA-N 1 0 219.328 2.380 10 0 BEAERO CCn1c(C)nnc1C[N@H+](CC(C)C)C(C)C ZINC000195067594 388089849 /nfs/dbraw/zinc/08/98/49/388089849.db2.gz LOTPQYHIYOEITF-UHFFFAOYSA-N 1 0 238.379 2.473 10 0 BEAERO c1cc(C[NH2+][C@H]2COc3ccccc32)c[nH]1 ZINC000085579959 388090723 /nfs/dbraw/zinc/09/07/23/388090723.db2.gz UFENJSWPTMVTLB-LBPRGKRZSA-N 1 0 214.268 2.238 10 0 BEAERO C[C@@H]1CS[C@H]([C@@H]2CCCSC2)[NH2+]1 ZINC000306423126 388096342 /nfs/dbraw/zinc/09/63/42/388096342.db2.gz FDXOBJHBCMHHAE-IWSPIJDZSA-N 1 0 203.376 2.181 10 0 BEAERO O=C1CC[NH2+]C[C@H]1Cc1cccc(Cl)c1 ZINC000071531461 388097648 /nfs/dbraw/zinc/09/76/48/388097648.db2.gz OJGOOQYBJXTGHN-SNVBAGLBSA-N 1 0 223.703 2.061 10 0 BEAERO CCCCOC[C@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000195183483 388115690 /nfs/dbraw/zinc/11/56/90/388115690.db2.gz WMZAOPVXDZOXTF-FRRDWIJNSA-N 1 0 229.364 2.037 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000195182592 388115729 /nfs/dbraw/zinc/11/57/29/388115729.db2.gz FRPALANTCPYEMF-QWHCGFSZSA-N 1 0 243.391 2.284 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1CC1 ZINC000086931230 388111596 /nfs/dbraw/zinc/11/15/96/388111596.db2.gz BAQOKBBMUCMRHF-ZIAGYGMSSA-N 1 0 222.376 2.345 10 0 BEAERO C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc(C2CC2)o1 ZINC000646092163 388140559 /nfs/dbraw/zinc/14/05/59/388140559.db2.gz MUVBCVPENJMJBA-OUAUKWLOSA-N 1 0 233.315 2.225 10 0 BEAERO CCCc1noc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000646093788 388141381 /nfs/dbraw/zinc/14/13/81/388141381.db2.gz JOMAGKKRRCAOTK-HBNTYKKESA-N 1 0 235.331 2.300 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646093532 388141708 /nfs/dbraw/zinc/14/17/08/388141708.db2.gz BRDMGBDSJHMLGR-QJPTWQEYSA-N 1 0 238.375 2.069 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnn(CC)c1 ZINC000165054450 388250304 /nfs/dbraw/zinc/25/03/04/388250304.db2.gz OIBXBRPUYHJSRK-VXGBXAGGSA-N 1 0 207.321 2.181 10 0 BEAERO Cc1ccoc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000164562234 388240078 /nfs/dbraw/zinc/24/00/78/388240078.db2.gz AZGWYSCYKGHOOW-LLVKDONJSA-N 1 0 211.305 2.085 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000251231941 388274359 /nfs/dbraw/zinc/27/43/59/388274359.db2.gz HPGYJFKMBCGGBR-IVZWLZJFSA-N 1 0 214.378 2.172 10 0 BEAERO C[C@H]1C[NH2+][C@@]2(CCCSCC2)S1 ZINC000575518807 388355914 /nfs/dbraw/zinc/35/59/14/388355914.db2.gz VGKADGGJJUSHTR-IUCAKERBSA-N 1 0 203.376 2.325 10 0 BEAERO CN1C[C@H]([NH2+]Cc2ccccc2)CC1(C)C ZINC000575522634 388358610 /nfs/dbraw/zinc/35/86/10/388358610.db2.gz HMEZQTGDICWFDJ-CYBMUJFWSA-N 1 0 218.344 2.259 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000575522983 388359132 /nfs/dbraw/zinc/35/91/32/388359132.db2.gz LSFSGXWTINOSNJ-ZJUUUORDSA-N 1 0 242.363 2.417 10 0 BEAERO CCN1CCC[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000327506740 388375846 /nfs/dbraw/zinc/37/58/46/388375846.db2.gz QADGLNCRFBJLGP-STQMWFEESA-N 1 0 242.432 2.346 10 0 BEAERO c1nc2c([nH]1)[C@H](c1c[nH]c3ccccc31)[NH2+]CC2 ZINC000067473242 388406125 /nfs/dbraw/zinc/40/61/25/388406125.db2.gz UZNPQKRCDLLMCU-ZDUSSCGKSA-N 1 0 238.294 2.126 10 0 BEAERO CC1CC(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000646578232 388387495 /nfs/dbraw/zinc/38/74/95/388387495.db2.gz RZVJQYFJFPLJIJ-UHFFFAOYSA-N 1 0 218.300 2.130 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000324815447 388388855 /nfs/dbraw/zinc/38/88/55/388388855.db2.gz UNPIRGVAXBWCTC-MCIONIFRSA-N 1 0 223.360 2.458 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000293904560 388392947 /nfs/dbraw/zinc/39/29/47/388392947.db2.gz HNOGKCXAHBCRFF-OUAUKWLOSA-N 1 0 205.305 2.106 10 0 BEAERO Cc1cnn(CC[NH2+]Cc2cccc(C)c2F)c1 ZINC000294992855 388406497 /nfs/dbraw/zinc/40/64/97/388406497.db2.gz HRUNTAPGYRKORQ-UHFFFAOYSA-N 1 0 247.317 2.429 10 0 BEAERO C[C@]1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCCS1 ZINC000327918641 388395921 /nfs/dbraw/zinc/39/59/21/388395921.db2.gz SDOUQQCEBZNXEO-JHJVBQTASA-N 1 0 243.416 2.413 10 0 BEAERO C[C@H](N[C@H]1CSC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000393852966 388443814 /nfs/dbraw/zinc/44/38/14/388443814.db2.gz OICIYLBQWSZNIZ-DCAQKATOSA-N 1 0 228.405 2.001 10 0 BEAERO C[C@@H](Nc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000335043131 388448529 /nfs/dbraw/zinc/44/85/29/388448529.db2.gz NZUOLDGEGGPVAA-ZJUUUORDSA-N 1 0 208.280 2.236 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)C1CCC1 ZINC000336326607 388456528 /nfs/dbraw/zinc/45/65/28/388456528.db2.gz SOMJAEVNRGAJIC-KOLCDFICSA-N 1 0 219.332 2.045 10 0 BEAERO c1ccc2c(c1)nnn2C[NH2+]C1CCCCC1 ZINC000004712796 256763526 /nfs/dbraw/zinc/76/35/26/256763526.db2.gz FUROVGCSPHYQAH-UHFFFAOYSA-N 1 0 230.315 2.311 10 0 BEAERO [NH3+]Cc1ccc(C(=O)c2cccs2)o1 ZINC000041215752 388433960 /nfs/dbraw/zinc/43/39/60/388433960.db2.gz UTIUUVMXJWGSFB-UHFFFAOYSA-N 1 0 207.254 2.031 10 0 BEAERO CCC[C@H](C(=O)N(C)C[C@H](C)CC)[NH+](C)C ZINC000178658687 388502369 /nfs/dbraw/zinc/50/23/69/388502369.db2.gz UWICGRZRBHIKJF-VXGBXAGGSA-N 1 0 228.380 2.221 10 0 BEAERO [NH3+][C@H]1CCN2CCc3ccc(Cl)cc3[C@H]2C1 ZINC000082302542 388586902 /nfs/dbraw/zinc/58/69/02/388586902.db2.gz YAWLIAPGNLVJPM-WCQYABFASA-N 1 0 236.746 2.360 10 0 BEAERO CCC[C@H](C)[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000187682151 388610663 /nfs/dbraw/zinc/61/06/63/388610663.db2.gz YPXUAGDBBKIPMY-UONOGXRCSA-N 1 0 242.407 2.218 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000222160708 388613717 /nfs/dbraw/zinc/61/37/17/388613717.db2.gz BAOUMAKRZSBJQF-UMSGYPCISA-N 1 0 210.365 2.247 10 0 BEAERO C[C@]1(c2cccs2)C[C@@H]1C[NH2+][C@@H]1CCOC1 ZINC000364021861 388563972 /nfs/dbraw/zinc/56/39/72/388563972.db2.gz KNELMSKISVHBLD-WZRBSPASSA-N 1 0 237.368 2.404 10 0 BEAERO C[C@@]1(c2cccs2)C[C@H]1C[NH2+]C1COC1 ZINC000367908451 388567391 /nfs/dbraw/zinc/56/73/91/388567391.db2.gz BMPLEGDRBBYSHL-JOYOIKCWSA-N 1 0 223.341 2.014 10 0 BEAERO CCC[C@H](C)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000368426359 388568161 /nfs/dbraw/zinc/56/81/61/388568161.db2.gz VVLVCMVNPMANBV-RYUDHWBXSA-N 1 0 221.348 2.224 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)c2nccn21 ZINC000379066996 388580112 /nfs/dbraw/zinc/58/01/12/388580112.db2.gz WTJAWCNWBBGQJP-GRYCIOLGSA-N 1 0 235.331 2.048 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC1(C)C ZINC000191851305 388671427 /nfs/dbraw/zinc/67/14/27/388671427.db2.gz RSFKRTHYJJUMTD-LLVKDONJSA-N 1 0 236.363 2.275 10 0 BEAERO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CC)C1 ZINC000248373498 388676095 /nfs/dbraw/zinc/67/60/95/388676095.db2.gz JJMCZALUEREYPX-VXGBXAGGSA-N 1 0 226.364 2.166 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000248373164 388676412 /nfs/dbraw/zinc/67/64/12/388676412.db2.gz GWSPMQCRTHVQOC-JQWIXIFHSA-N 1 0 237.347 2.431 10 0 BEAERO COc1cc(F)c([C@@H]([NH3+])CCF)cc1OC ZINC000575439730 388629922 /nfs/dbraw/zinc/62/99/22/388629922.db2.gz VJNGZIHOLVGCFG-VIFPVBQESA-N 1 0 231.242 2.202 10 0 BEAERO COC[C@H](C)C[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000124328274 388662452 /nfs/dbraw/zinc/66/24/52/388662452.db2.gz DZKZQNNDUCARDH-YRGRVCCFSA-N 1 0 243.391 2.404 10 0 BEAERO C[C@@H](O)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127936127 388733930 /nfs/dbraw/zinc/73/39/30/388733930.db2.gz HZZWJUGNHBNDIQ-GHMZBOCLSA-N 1 0 225.307 2.290 10 0 BEAERO [NH3+]C1CCC(F)(c2cncs2)CC1 ZINC000575453511 388749101 /nfs/dbraw/zinc/74/91/01/388749101.db2.gz GEPNVFFIUPTGDA-UHFFFAOYSA-N 1 0 200.282 2.209 10 0 BEAERO Cc1ncsc1[C@@H]([NH3+])[C@@H]1CCSC1 ZINC000575453830 388752951 /nfs/dbraw/zinc/75/29/51/388752951.db2.gz IUCFNJLLDHWSLK-SFYZADRCSA-N 1 0 214.359 2.204 10 0 BEAERO CC[N@H+](C)Cc1cccc(OCCOC)c1 ZINC000126260512 388691992 /nfs/dbraw/zinc/69/19/92/388691992.db2.gz KDGXSWYMFSNCSM-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO C[N@@H+]1CCC[C@@H]1CCSC1CCOCC1 ZINC000126987443 388710166 /nfs/dbraw/zinc/71/01/66/388710166.db2.gz JRYMADLASFUADP-LLVKDONJSA-N 1 0 229.389 2.383 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000127301252 388719758 /nfs/dbraw/zinc/71/97/58/388719758.db2.gz NUGHEASZROADOM-GXTWGEPZSA-N 1 0 245.370 2.105 10 0 BEAERO Cc1ncsc1[C@H](F)[C@H]1CCC[NH2+]1 ZINC000575469238 388843381 /nfs/dbraw/zinc/84/33/81/388843381.db2.gz OQZZUCYQDRIPSA-HTQZYQBOSA-N 1 0 200.282 2.214 10 0 BEAERO CCCC(=O)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000092933813 388823133 /nfs/dbraw/zinc/82/31/33/388823133.db2.gz OODIACHNBMAULU-GFCCVEGCSA-N 1 0 238.375 2.310 10 0 BEAERO Cc1ncsc1[C@]1([NH3+])CCCSC1 ZINC000575463515 388830585 /nfs/dbraw/zinc/83/05/85/388830585.db2.gz RRNSRVYBCHXXFX-VIFPVBQESA-N 1 0 214.359 2.133 10 0 BEAERO FC1(Cc2ccsc2Cl)CNC1 ZINC000575468783 388842103 /nfs/dbraw/zinc/84/21/03/388842103.db2.gz HXFFPSXUYFXIJP-UHFFFAOYSA-N 1 0 205.685 2.256 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CS1 ZINC000575483060 388865723 /nfs/dbraw/zinc/86/57/23/388865723.db2.gz NPMQOHYXCCCIRN-NKWVEPMBSA-N 1 0 207.289 2.268 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000556155906 388869139 /nfs/dbraw/zinc/86/91/39/388869139.db2.gz MJZWVFDKYJOWKA-RQJABVFESA-N 1 0 240.391 2.016 10 0 BEAERO [NH3+]C1([C@H](O)c2ccsc2Cl)CCC1 ZINC000575497721 388986908 /nfs/dbraw/zinc/98/69/08/388986908.db2.gz KCRBEHXKLPGAHI-SSDOTTSWSA-N 1 0 217.721 2.316 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2cc(Br)cs2)C1 ZINC000575507999 388992952 /nfs/dbraw/zinc/99/29/52/388992952.db2.gz JOKIEYNLXJGJTM-RQJHMYQMSA-N 1 0 248.145 2.299 10 0 BEAERO Cc1cccc(N2CC[NH2+][C@H](C)C2)c1C ZINC000016944740 132323418 /nfs/dbraw/zinc/32/34/18/132323418.db2.gz CLTFZWGLPPPSLP-LLVKDONJSA-N 1 0 204.317 2.102 10 0 BEAERO CCc1ccccc1N1CC[NH2+][C@@H](C)C1 ZINC000016944699 132323420 /nfs/dbraw/zinc/32/34/20/132323420.db2.gz MKKFSOBJPUSXMR-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO CC[C@H]1CN(c2ccccc2C)CC[NH2+]1 ZINC000016944781 132323603 /nfs/dbraw/zinc/32/36/03/132323603.db2.gz QNOWEFQVGUMERW-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO CC[C@H]1CN(c2ccc(C)c(C)c2)CC[NH2+]1 ZINC000016944886 132323607 /nfs/dbraw/zinc/32/36/07/132323607.db2.gz AUBUBSWMDBMPFY-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC[C@H]1CCCN(c2ncccc2C[NH3+])C1 ZINC000036168555 132340184 /nfs/dbraw/zinc/34/01/84/132340184.db2.gz KBZNRUHVFRRQQX-NSHDSACASA-N 1 0 219.332 2.167 10 0 BEAERO Cc1c(F)cccc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000043321331 132352892 /nfs/dbraw/zinc/35/28/92/132352892.db2.gz VFFGBIUCKCFYAH-BXKDBHETSA-N 1 0 222.307 2.308 10 0 BEAERO C(=C/c1ccccc1)\CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261553070 533353897 /nfs/dbraw/zinc/35/38/97/533353897.db2.gz ACBSYRKGRYGNKV-KEMBLGFASA-N 1 0 242.366 2.384 10 0 BEAERO C[C@@H](NCc1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000400764471 533460156 /nfs/dbraw/zinc/46/01/56/533460156.db2.gz YYLMASQBKLDUNB-MNOVXSKESA-N 1 0 238.762 2.428 10 0 BEAERO CC(C)CCC(=O)NC1(C[NH3+])CCC(C)CC1 ZINC000104309850 166790761 /nfs/dbraw/zinc/79/07/61/166790761.db2.gz IBRZHLPHIAACLB-UHFFFAOYSA-N 1 0 240.391 2.446 10 0 BEAERO Cc1nc(C)c([C@@H](C)[NH2+]CC2CC(O)C2)s1 ZINC000084445929 322835322 /nfs/dbraw/zinc/83/53/22/322835322.db2.gz WFABXYZOORPVSB-CAZGOSDBSA-N 1 0 240.372 2.181 10 0 BEAERO CC[C@H]1CCCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000084446435 322835327 /nfs/dbraw/zinc/83/53/27/322835327.db2.gz FDDRPEMGLXBXNT-PYNQCMFNSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]([NH2+]CC1CC(O)C1)C1CCCCC1 ZINC000084446625 322835335 /nfs/dbraw/zinc/83/53/35/322835335.db2.gz SJLFFOWKIJDBJT-XSRFYTQQSA-N 1 0 211.349 2.316 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000084449459 322836001 /nfs/dbraw/zinc/83/60/01/322836001.db2.gz IAMGPBRMMNYJTD-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000042212946 322836776 /nfs/dbraw/zinc/83/67/76/322836776.db2.gz VHBCZHYHLPQVDV-NEPJUHHUSA-N 1 0 240.391 2.460 10 0 BEAERO CCCc1ccccc1N1CC[NH2+]CC1 ZINC000026002737 132220005 /nfs/dbraw/zinc/22/00/05/132220005.db2.gz FHIDPEUFJOUCRS-UHFFFAOYSA-N 1 0 204.317 2.049 10 0 BEAERO Cc1nc(C(C)C)nc(N2CCC([NH3+])CC2)c1C ZINC000045950968 132299363 /nfs/dbraw/zinc/29/93/63/132299363.db2.gz YAMIVEQYTBGTSG-UHFFFAOYSA-N 1 0 248.374 2.144 10 0 BEAERO CC[C@H](C)[NH+]1CCN(c2ccc(C=O)cc2)CC1 ZINC000002458123 132314845 /nfs/dbraw/zinc/31/48/45/132314845.db2.gz RKPDSEUYOKGBBE-ZDUSSCGKSA-N 1 0 246.354 2.420 10 0 BEAERO c1cc2cccc(N3CC[NH2+]CC3)c2s1 ZINC000013741465 132322273 /nfs/dbraw/zinc/32/22/73/132322273.db2.gz KAIYEAVSYUNYRS-UHFFFAOYSA-N 1 0 218.325 2.311 10 0 BEAERO CCc1ccccc1N1CC[NH2+]C[C@H]1CC ZINC000016945066 132323595 /nfs/dbraw/zinc/32/35/95/132323595.db2.gz UWWPXKWLPIRRRK-CYBMUJFWSA-N 1 0 218.344 2.437 10 0 BEAERO Cc1ccc(N2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000016944748 132323638 /nfs/dbraw/zinc/32/36/38/132323638.db2.gz TVUHNTABQMFNFU-GFCCVEGCSA-N 1 0 204.317 2.102 10 0 BEAERO CCOc1ccccc1N1CC[NH2+][C@H](CC)C1 ZINC000016944854 132323645 /nfs/dbraw/zinc/32/36/45/132323645.db2.gz IOJARFAVZRWDIX-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO NC(=[NH2+])CCCN1CCCc2ccccc21 ZINC000019505530 132325639 /nfs/dbraw/zinc/32/56/39/132325639.db2.gz RAPAVDHVJIXYMB-UHFFFAOYSA-N 1 0 217.316 2.155 10 0 BEAERO Cc1ccc2c(c1)CCCN2CC[C@H](C)[NH3+] ZINC000020429217 132331360 /nfs/dbraw/zinc/33/13/60/132331360.db2.gz BKCTZUHZXCGFTA-LBPRGKRZSA-N 1 0 218.344 2.485 10 0 BEAERO C[C@H]1CN(c2cccc(Cl)c2C[NH3+])CCO1 ZINC000020469611 132331774 /nfs/dbraw/zinc/33/17/74/132331774.db2.gz DXWNZBCEBUIFIN-VIFPVBQESA-N 1 0 240.734 2.024 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(F)c(F)c1 ZINC000034633013 132336821 /nfs/dbraw/zinc/33/68/21/132336821.db2.gz WJGWDBUQGYXBAG-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO c1ccc(N2CC[NH+](C3CCC3)CC2)cc1 ZINC000035635555 132338848 /nfs/dbraw/zinc/33/88/48/132338848.db2.gz SUBIUPDHPUVLDD-UHFFFAOYSA-N 1 0 216.328 2.361 10 0 BEAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCOC[C@@H]1C ZINC000035776796 132339450 /nfs/dbraw/zinc/33/94/50/132339450.db2.gz BZIGBVYMZDKONY-VHSXEESVSA-N 1 0 238.306 2.071 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1ccccc1Cl ZINC000035882206 132340048 /nfs/dbraw/zinc/34/00/48/132340048.db2.gz FWVMIKAOFFJLOT-VIFPVBQESA-N 1 0 210.708 2.138 10 0 BEAERO CC[C@@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000036168546 132340343 /nfs/dbraw/zinc/34/03/43/132340343.db2.gz HGMMXSPACOJKKN-LLVKDONJSA-N 1 0 219.332 2.167 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCO[C@H](CC)C1 ZINC000036770461 132342750 /nfs/dbraw/zinc/34/27/50/132342750.db2.gz HSDWENALCCEBKM-CQSZACIVSA-N 1 0 248.370 2.411 10 0 BEAERO CC[C@@H]1CN(c2ccccc2C[NH2+]C)CCO1 ZINC000036770463 132342843 /nfs/dbraw/zinc/34/28/43/132342843.db2.gz DZBWEWDIAOBNAC-CYBMUJFWSA-N 1 0 234.343 2.021 10 0 BEAERO CC[C@H]1CCCCN1c1cc(C[NH3+])ccn1 ZINC000037082694 132343611 /nfs/dbraw/zinc/34/36/11/132343611.db2.gz IZBKITBRCWACJD-LBPRGKRZSA-N 1 0 219.332 2.309 10 0 BEAERO CN1c2ccccc2[C@H]([NH2+]CC2CCC2)CC1=O ZINC000037253897 132344139 /nfs/dbraw/zinc/34/41/39/132344139.db2.gz MIORZEQWTYBITF-CYBMUJFWSA-N 1 0 244.338 2.484 10 0 BEAERO CC(C)c1cccc(N2CC[NH2+]CC2)c1 ZINC000037408733 132344153 /nfs/dbraw/zinc/34/41/53/132344153.db2.gz JSUGMCBUCXRCMG-UHFFFAOYSA-N 1 0 204.317 2.220 10 0 BEAERO c1ccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037918223 132345557 /nfs/dbraw/zinc/34/55/57/132345557.db2.gz SIZZJKLLDMFNHN-OLZOCXBDSA-N 1 0 231.343 2.050 10 0 BEAERO Cc1cccc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000037918366 132345860 /nfs/dbraw/zinc/34/58/60/132345860.db2.gz IJLMEXOFDLVIQK-KBPBESRZSA-N 1 0 245.370 2.358 10 0 BEAERO Clc1ccc2ccnc(N3CC[NH2+]CC3)c2c1 ZINC000038339982 132346076 /nfs/dbraw/zinc/34/60/76/132346076.db2.gz BVVJBQUZDKQNLH-UHFFFAOYSA-N 1 0 247.729 2.298 10 0 BEAERO C[NH2+]C1CCN(c2cccc(F)c2F)CC1 ZINC000040230838 132347323 /nfs/dbraw/zinc/34/73/23/132347323.db2.gz OLVOVPPZEDATMJ-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO Cc1ccccc1N1CC[NH2+]C(C)(C)C1 ZINC000041213223 132349530 /nfs/dbraw/zinc/34/95/30/132349530.db2.gz KYXJOZWNTWDIDI-UHFFFAOYSA-N 1 0 204.317 2.183 10 0 BEAERO C[C@H]1CNc2ccccc2N1CC[NH+]1CCCC1 ZINC000041296545 132349955 /nfs/dbraw/zinc/34/99/55/132349955.db2.gz XGDCJPQETXDQDS-ZDUSSCGKSA-N 1 0 245.370 2.403 10 0 BEAERO C[NH+](C)CC1CCN(c2ccc(C=O)cc2)CC1 ZINC000042394407 132351171 /nfs/dbraw/zinc/35/11/71/132351171.db2.gz NWAXVNYAJXOSLH-UHFFFAOYSA-N 1 0 246.354 2.277 10 0 BEAERO C[NH2+][C@@H](C)CN1CCCc2ccccc21 ZINC000043814921 132353757 /nfs/dbraw/zinc/35/37/57/132353757.db2.gz QICSNXYRXDVTDM-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000049693943 132356716 /nfs/dbraw/zinc/35/67/16/132356716.db2.gz DBYHHRNNNAFAIO-GWCFXTLKSA-N 1 0 222.307 2.260 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc2c(c1)CCC2 ZINC000049707875 132356975 /nfs/dbraw/zinc/35/69/75/132356975.db2.gz UYSCYMPYPAJQPE-SMDDNHRTSA-N 1 0 230.355 2.491 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc(F)cc1F ZINC000049708766 132357178 /nfs/dbraw/zinc/35/71/78/132357178.db2.gz VXIJBBTXPFOHGG-WCBMZHEXSA-N 1 0 226.270 2.281 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(F)cc1F ZINC000049708769 132357208 /nfs/dbraw/zinc/35/72/08/132357208.db2.gz VXIJBBTXPFOHGG-WPRPVWTQSA-N 1 0 226.270 2.281 10 0 BEAERO Cc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000049709236 132357410 /nfs/dbraw/zinc/35/74/10/132357410.db2.gz NFFTWVNTJAJJIR-OLZOCXBDSA-N 1 0 218.344 2.477 10 0 BEAERO Cc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000049709267 132357424 /nfs/dbraw/zinc/35/74/24/132357424.db2.gz STFRIWQVSRNLFX-TZMCWYRMSA-N 1 0 218.344 2.477 10 0 BEAERO Cc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)c(F)c1 ZINC000049710048 132357586 /nfs/dbraw/zinc/35/75/86/132357586.db2.gz PVZPCXNQHDZVLU-WDEREUQCSA-N 1 0 222.307 2.450 10 0 BEAERO COCc1cccc(N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000049713775 132357856 /nfs/dbraw/zinc/35/78/56/132357856.db2.gz IGQZQBTXRAFRGH-DGCLKSJQSA-N 1 0 234.343 2.149 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1cccc(F)c1F ZINC000049713156 132357908 /nfs/dbraw/zinc/35/79/08/132357908.db2.gz NTAKBWKHBVJJPM-IUCAKERBSA-N 1 0 226.270 2.281 10 0 BEAERO CNc1nc(N2CCCCC2)[nH+]c(C)c1C ZINC000050864138 132359452 /nfs/dbraw/zinc/35/94/52/132359452.db2.gz AIXVRLPAWPFBLN-UHFFFAOYSA-N 1 0 220.320 2.125 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1c1cccc(C[NH3+])n1 ZINC000051396015 132360162 /nfs/dbraw/zinc/36/01/62/132360162.db2.gz WXBIPCFVUGXCIV-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@@H]1C[C@@H](C)CN(c2ccnc(C[NH3+])c2)C1 ZINC000051396430 132360203 /nfs/dbraw/zinc/36/02/03/132360203.db2.gz BWNPSHPLZLDTET-GHMZBOCLSA-N 1 0 219.332 2.023 10 0 BEAERO C[NH2+]Cc1ccc(N2CCC[C@H](C)[C@H]2C)nc1 ZINC000051398388 132360332 /nfs/dbraw/zinc/36/03/32/132360332.db2.gz IWEGCJUZZDKCCC-NWDGAFQWSA-N 1 0 233.359 2.426 10 0 BEAERO C[C@H]1CCCCN1c1ccc(C[NH2+]C2CC2)nn1 ZINC000051399465 132360651 /nfs/dbraw/zinc/36/06/51/132360651.db2.gz AREDQFRQQFUQNO-NSHDSACASA-N 1 0 246.358 2.107 10 0 BEAERO c1cc(C[NH2+]C2CC2)cc(N2CCCCC2)n1 ZINC000051436052 132360981 /nfs/dbraw/zinc/36/09/81/132360981.db2.gz OOTMOFVHXULUEM-UHFFFAOYSA-N 1 0 231.343 2.324 10 0 BEAERO C[C@@H]1C[C@@H](C)CCN1c1ccc(C[NH3+])cn1 ZINC000051728436 132361496 /nfs/dbraw/zinc/36/14/96/132361496.db2.gz WFHJVANNXOPTQU-WDEREUQCSA-N 1 0 219.332 2.165 10 0 BEAERO C[C@H]1CC[C@H](C[NH3+])CN1c1ncccc1Cl ZINC000053704311 132363166 /nfs/dbraw/zinc/36/31/66/132363166.db2.gz XFHQMKMULIOMMB-VHSXEESVSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@H]1CN(c2cnc3ccccc3c2)CC[NH2+]1 ZINC000054348190 132364088 /nfs/dbraw/zinc/36/40/88/132364088.db2.gz OVEDHFPYSBWJQY-NSHDSACASA-N 1 0 227.311 2.033 10 0 BEAERO Cc1ccc(N)cc1N1CC[NH+](CC(C)C)CC1 ZINC000055085640 132365296 /nfs/dbraw/zinc/36/52/96/132365296.db2.gz BOOXSGFCCSCRGY-UHFFFAOYSA-N 1 0 247.386 2.355 10 0 BEAERO Cc1cc(N2CCC([NH+](C)C)CC2)ccc1N ZINC000057579610 132365939 /nfs/dbraw/zinc/36/59/39/132365939.db2.gz VNYGOIFYZLEYRC-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO [NH3+][C@@H]1CCCN(c2ccc(F)c(F)c2F)C1 ZINC000057953412 132367454 /nfs/dbraw/zinc/36/74/54/132367454.db2.gz WUNMMUMIFLNCQT-SSDOTTSWSA-N 1 0 230.233 2.031 10 0 BEAERO CC(C)[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000058111900 132367997 /nfs/dbraw/zinc/36/79/97/132367997.db2.gz HTGQSNVLSVLVHX-CQSZACIVSA-N 1 0 232.327 2.251 10 0 BEAERO COc1ccccc1N1CC(C)(C)[NH2+]C[C@H]1C ZINC000058445768 132368236 /nfs/dbraw/zinc/36/82/36/132368236.db2.gz MSADRYKIMUQWIK-LLVKDONJSA-N 1 0 234.343 2.272 10 0 BEAERO CCN(CC)c1ccc(N2CC[NH2+]C[C@H]2C)cc1 ZINC000058449490 132368239 /nfs/dbraw/zinc/36/82/39/132368239.db2.gz UFIAUWUETWGZQZ-CYBMUJFWSA-N 1 0 247.386 2.331 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1c1cccc(F)c1 ZINC000058444130 132368262 /nfs/dbraw/zinc/36/82/62/132368262.db2.gz XXDQWHQUWJNUEP-SNVBAGLBSA-N 1 0 222.307 2.402 10 0 BEAERO CC1(C)CCN(c2cc(N)cc[nH+]2)CC1 ZINC000061819227 132387149 /nfs/dbraw/zinc/38/71/49/132387149.db2.gz MUEUJVFZICSUQE-UHFFFAOYSA-N 1 0 205.305 2.290 10 0 BEAERO [NH3+]Cc1ccc(Cl)cc1N1CCSCC1 ZINC000062786799 132388704 /nfs/dbraw/zinc/38/87/04/132388704.db2.gz WESUFOJRKZOXRE-UHFFFAOYSA-N 1 0 242.775 2.352 10 0 BEAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000062806427 132388746 /nfs/dbraw/zinc/38/87/46/132388746.db2.gz XVVXYBZFBHEEEW-MURWCNHISA-N 1 0 244.338 2.251 10 0 BEAERO Cc1cccnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063201508 132389213 /nfs/dbraw/zinc/38/92/13/132389213.db2.gz UWPZQQYLCITBFQ-CQSZACIVSA-N 1 0 245.370 2.358 10 0 BEAERO C[C@@H]1CN(c2c(F)cccc2F)[C@@H](C)C[NH2+]1 ZINC000071532812 132393666 /nfs/dbraw/zinc/39/36/66/132393666.db2.gz OWGDIIQFZOJFFN-BDAKNGLRSA-N 1 0 226.270 2.151 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)c(F)c1F ZINC000071558819 132394426 /nfs/dbraw/zinc/39/44/26/132394426.db2.gz ZGAOGSULGBGEAS-JGVFFNPUSA-N 1 0 244.260 2.291 10 0 BEAERO C[C@@H]1CCCN(c2nccc3occc32)[C@@H]1C[NH3+] ZINC000235404248 132396131 /nfs/dbraw/zinc/39/61/31/132396131.db2.gz MSQGOIHKLZHJGK-ZYHUDNBSSA-N 1 0 245.326 2.391 10 0 BEAERO Cc1cccc(N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000083060129 132419121 /nfs/dbraw/zinc/41/91/21/132419121.db2.gz FHKBTAGRGFACAD-AWEZNQCLSA-N 1 0 218.344 2.429 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cccnc1 ZINC000083087967 132420060 /nfs/dbraw/zinc/42/00/60/132420060.db2.gz OZFFCYWEUVFGCK-NWDGAFQWSA-N 1 0 219.332 2.048 10 0 BEAERO C[C@@H]([NH3+])Cc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000104267243 132435201 /nfs/dbraw/zinc/43/52/01/132435201.db2.gz SDYGAYUXMUACKN-UPJWGTAASA-N 1 0 248.370 2.190 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1cccnc1 ZINC000160912313 133510738 /nfs/dbraw/zinc/51/07/38/133510738.db2.gz KPGRJYWKXIZNBH-FPMFFAJLSA-N 1 0 234.343 2.426 10 0 BEAERO C[C@@H]1CCCN(c2ccncc2Cl)[C@H]1C[NH3+] ZINC000252151862 133648835 /nfs/dbraw/zinc/64/88/35/133648835.db2.gz MPXJOXMKTWTCFP-SKDRFNHKSA-N 1 0 239.750 2.299 10 0 BEAERO Cc1cc(N2CC3(CCC3)[C@H]3COC[C@@H]32)cc[nH+]1 ZINC000334646712 133722831 /nfs/dbraw/zinc/72/28/31/133722831.db2.gz WMAIWLKOZGDKLH-KBPBESRZSA-N 1 0 244.338 2.395 10 0 BEAERO c1ccc2c(c1)CCC[N@@H+]([C@H]1CCOC1)C2 ZINC000335937973 134013106 /nfs/dbraw/zinc/01/31/06/134013106.db2.gz VCISXIVQPATQRZ-AWEZNQCLSA-N 1 0 217.312 2.224 10 0 BEAERO C[C@H](C[N@@H+]1CC[C@H](O)C(C)(C)C1)C(F)(F)F ZINC000336180659 134119573 /nfs/dbraw/zinc/11/95/73/134119573.db2.gz BLNOHFNAAQJUNS-BDAKNGLRSA-N 1 0 239.281 2.278 10 0 BEAERO C1CC([N@@H+]2CCC[C@]3(CCCOC3)C2)C1 ZINC000336182315 134119804 /nfs/dbraw/zinc/11/98/04/134119804.db2.gz ZVAWFTKODBLQEY-ZDUSSCGKSA-N 1 0 209.333 2.432 10 0 BEAERO C[C@@H]1COCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336193314 134124683 /nfs/dbraw/zinc/12/46/83/134124683.db2.gz MQGRGPBGWHYINB-QWRGUYRKSA-N 1 0 233.302 2.390 10 0 BEAERO CC(C)[NH+]1CCN(C[C@@H]2CCCC2(F)F)CC1 ZINC000336204175 134131564 /nfs/dbraw/zinc/13/15/64/134131564.db2.gz OXRZCZKZWCVDOT-LBPRGKRZSA-N 1 0 246.345 2.448 10 0 BEAERO CC[C@@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000171508570 134258761 /nfs/dbraw/zinc/25/87/61/134258761.db2.gz UXLZFGKFJXJLNT-QWHCGFSZSA-N 1 0 240.391 2.221 10 0 BEAERO c1ccc(CC[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000172345925 134264722 /nfs/dbraw/zinc/26/47/22/134264722.db2.gz YOQYMYUSIVMWRU-UHFFFAOYSA-N 1 0 244.382 2.399 10 0 BEAERO Cc1cnc(CN2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000173541034 134275307 /nfs/dbraw/zinc/27/53/07/134275307.db2.gz MDNAHDUAFCQXLK-RYUDHWBXSA-N 1 0 236.315 2.126 10 0 BEAERO CC[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000174970431 134284012 /nfs/dbraw/zinc/28/40/12/134284012.db2.gz TUSURIYFFDMRBX-RWMBFGLXSA-N 1 0 238.375 2.118 10 0 BEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C1CC1)CC2 ZINC000177312457 134299593 /nfs/dbraw/zinc/29/95/93/134299593.db2.gz YKRSYYPONLQIGP-JQWIXIFHSA-N 1 0 248.374 2.104 10 0 BEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCF ZINC000177893637 134303838 /nfs/dbraw/zinc/30/38/38/134303838.db2.gz UYUMKMUOCUSSAH-WOPDTQHZSA-N 1 0 243.322 2.152 10 0 BEAERO CCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178299128 134306244 /nfs/dbraw/zinc/30/62/44/134306244.db2.gz TZVXVODJWJIYLB-CYBMUJFWSA-N 1 0 221.348 2.456 10 0 BEAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000178354427 134308827 /nfs/dbraw/zinc/30/88/27/134308827.db2.gz RVUJNMISBNJZPG-GDBMZVCRSA-N 1 0 243.350 2.423 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@@H+](C1CCC1)CC2 ZINC000179578345 134322003 /nfs/dbraw/zinc/32/20/03/134322003.db2.gz MKHITIKHFGUAQX-AAEUAGOBSA-N 1 0 209.333 2.166 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000180505132 134329687 /nfs/dbraw/zinc/32/96/87/134329687.db2.gz QXDDKRQRSFDCLS-GHMZBOCLSA-N 1 0 236.363 2.104 10 0 BEAERO Cc1nccc(CN[C@H](C)c2cncc(F)c2)n1 ZINC000222230738 134330739 /nfs/dbraw/zinc/33/07/39/134330739.db2.gz KLLDOTHZVSBVFQ-SECBINFHSA-N 1 0 246.289 2.170 10 0 BEAERO COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000183276324 134352556 /nfs/dbraw/zinc/35/25/56/134352556.db2.gz LEGIIEZONVASSV-REWJHTLYSA-N 1 0 243.391 2.044 10 0 BEAERO CCC[C@H](C(=O)N1CCCC2(CC2)C1)[NH+](C)C ZINC000184129170 134359139 /nfs/dbraw/zinc/35/91/39/134359139.db2.gz ALFDZEZKFHYOJU-GFCCVEGCSA-N 1 0 238.375 2.119 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000184658888 134367421 /nfs/dbraw/zinc/36/74/21/134367421.db2.gz HRIPHRHZZHSHTA-TUAOUCFPSA-N 1 0 227.348 2.053 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000227573026 134384418 /nfs/dbraw/zinc/38/44/18/134384418.db2.gz HZHZCIHOQWYCMD-ZDUSSCGKSA-N 1 0 245.366 2.380 10 0 BEAERO Cc1ccnc(N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000227738624 134385529 /nfs/dbraw/zinc/38/55/29/134385529.db2.gz BEYLRQADLUITCO-LBPRGKRZSA-N 1 0 221.348 2.200 10 0 BEAERO C[C@H](C[NH3+])CNc1cc(C(F)(F)F)ccn1 ZINC000085486563 134401261 /nfs/dbraw/zinc/40/12/61/134401261.db2.gz VHCVGVFEDWFSFQ-SSDOTTSWSA-N 1 0 233.237 2.107 10 0 BEAERO O=C(c1ccccc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186490201 134417247 /nfs/dbraw/zinc/41/72/47/134417247.db2.gz WNLDOVIROKEDMQ-ZDUSSCGKSA-N 1 0 244.338 2.043 10 0 BEAERO CCCn1ccc(C[NH2+][C@H](C)COCC)c1 ZINC000085606070 134442882 /nfs/dbraw/zinc/44/28/82/134442882.db2.gz GKSZYQBXQHMJTN-GFCCVEGCSA-N 1 0 224.348 2.413 10 0 BEAERO Cc1nccc(C[NH2+]C[C@@H](C)c2nccs2)n1 ZINC000235458124 134593133 /nfs/dbraw/zinc/59/31/33/134593133.db2.gz ONHHQVWPQADMAQ-SECBINFHSA-N 1 0 248.355 2.135 10 0 BEAERO Cn1nccc1C1CC[NH+](CC2CC2)CC1 ZINC000155967572 134703122 /nfs/dbraw/zinc/70/31/22/134703122.db2.gz GHTZPYZRWRZSOQ-UHFFFAOYSA-N 1 0 219.332 2.010 10 0 BEAERO CCCCOCC[NH2+]CCSCC ZINC000053616399 134744740 /nfs/dbraw/zinc/74/47/40/134744740.db2.gz CRRUVKWSHFBMQT-UHFFFAOYSA-N 1 0 205.367 2.146 10 0 BEAERO CC(C)CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195042465 134834488 /nfs/dbraw/zinc/83/44/88/134834488.db2.gz FLJCYHYOWXFUPO-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164424946 134857802 /nfs/dbraw/zinc/85/78/02/134857802.db2.gz RDSBOKZHTXZMQT-VXGBXAGGSA-N 1 0 246.354 2.028 10 0 BEAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCF ZINC000247304653 134978214 /nfs/dbraw/zinc/97/82/14/134978214.db2.gz UYUMKMUOCUSSAH-UTUOFQBUSA-N 1 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OLIOHSDDAJFBGD-YIYPIFLZSA-N 1 0 239.359 2.197 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)C1CCCCC1 ZINC000249143041 135034642 /nfs/dbraw/zinc/03/46/42/135034642.db2.gz WLAAGZQFIARUNZ-MBNYWOFBSA-N 1 0 241.375 2.037 10 0 BEAERO CC(C)(C)[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000250728369 135058420 /nfs/dbraw/zinc/05/84/20/135058420.db2.gz XZTVKXLLPWCRJM-FRRDWIJNSA-N 1 0 241.375 2.037 10 0 BEAERO c1ccc([C@@H]2C[C@H]2N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250810214 135058987 /nfs/dbraw/zinc/05/89/87/135058987.db2.gz KTGJQFLNFRYMSM-HRCADAONSA-N 1 0 242.366 2.323 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1O ZINC000251140269 135064772 /nfs/dbraw/zinc/06/47/72/135064772.db2.gz IXLAASOMVVLJHY-UTUOFQBUSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cn2cccn2)C1 ZINC000251607718 135072565 /nfs/dbraw/zinc/07/25/65/135072565.db2.gz KVHRINWPUVAAKD-JHJVBQTASA-N 1 0 221.348 2.440 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)C(=O)OC ZINC000251812824 135077966 /nfs/dbraw/zinc/07/79/66/135077966.db2.gz OSNWPDFXKVLSHI-TUAOUCFPSA-N 1 0 227.348 2.354 10 0 BEAERO CCOCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252475919 135090840 /nfs/dbraw/zinc/09/08/40/135090840.db2.gz MSFZASUBFRKNLH-KBPBESRZSA-N 1 0 241.375 2.040 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ccncc1Cl ZINC000086840045 135097692 /nfs/dbraw/zinc/09/76/92/135097692.db2.gz ZWWFSZCZDNDADX-SECBINFHSA-N 1 0 213.712 2.130 10 0 BEAERO CC[C@H](COC)[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000252711088 135099156 /nfs/dbraw/zinc/09/91/56/135099156.db2.gz INEDFMQRJOZKJT-XQQFMLRXSA-N 1 0 229.364 2.062 10 0 BEAERO CCOC[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000252713423 135100887 /nfs/dbraw/zinc/10/08/87/135100887.db2.gz PCSAETZKFMTBEG-AVGNSLFASA-N 1 0 229.364 2.062 10 0 BEAERO Cc1c(C[NH2+][C@H]2CC[C@H](C)CC2)cnn1C ZINC000252726194 135102666 /nfs/dbraw/zinc/10/26/66/135102666.db2.gz PVWOGJIKYHYUMZ-MJHDQNEOSA-N 1 0 221.348 2.397 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)C1 ZINC000252742256 135106414 /nfs/dbraw/zinc/10/64/14/135106414.db2.gz JSSGBLXLJJLTSC-FJJYHAOUSA-N 1 0 231.405 2.312 10 0 BEAERO C1OCC1[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000087194766 135111331 /nfs/dbraw/zinc/11/13/31/135111331.db2.gz PZGKUEKQUDFGAE-TUAOUCFPSA-N 1 0 209.333 2.334 10 0 BEAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCCF ZINC000253098215 135121352 /nfs/dbraw/zinc/12/13/52/135121352.db2.gz SROBOSDYRGOIHC-YNEHKIRRSA-N 1 0 229.339 2.362 10 0 BEAERO COC(=O)[C@H](C)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000253102054 135122327 /nfs/dbraw/zinc/12/23/27/135122327.db2.gz RCCRCTCLNPZAPM-DDHJBXDOSA-N 1 0 227.348 2.162 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)CC[C@@H]1O ZINC000253236181 135124768 /nfs/dbraw/zinc/12/47/68/135124768.db2.gz DYBHPPXEOJWDLA-KYOSRNDESA-N 1 0 231.339 2.029 10 0 BEAERO CC1(C)CN(C(=O)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000259189653 135137194 /nfs/dbraw/zinc/13/71/94/135137194.db2.gz ZNYKXQZVZRZRQR-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO CCOC(=O)[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000259976650 135146392 /nfs/dbraw/zinc/14/63/92/135146392.db2.gz KJDULXCGUGFVAR-GFCCVEGCSA-N 1 0 225.332 2.204 10 0 BEAERO Cc1ccc([C@@H]2CCCN2CC[NH3+])s1 ZINC000261530937 135159108 /nfs/dbraw/zinc/15/91/08/135159108.db2.gz DNPIEPLTKDIGFY-JTQLQIEISA-N 1 0 210.346 2.152 10 0 BEAERO C[NH2+][C@H]1CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261533118 135163853 /nfs/dbraw/zinc/16/38/53/135163853.db2.gz XLVTXGHAYRSXDD-MNOVXSKESA-N 1 0 232.318 2.106 10 0 BEAERO CN(C[C@@H]1CCCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000261533092 135164172 /nfs/dbraw/zinc/16/41/72/135164172.db2.gz NGOYYMQPSCBXAO-GHMZBOCLSA-N 1 0 232.318 2.106 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1ncccc1F ZINC000087780141 135168308 /nfs/dbraw/zinc/16/83/08/135168308.db2.gz YNZIKPJJSWJNAN-VIFPVBQESA-N 1 0 211.284 2.150 10 0 BEAERO C[N@H+](C[C@@H]1CCCC(F)(F)C1)[C@H](CN)C1CC1 ZINC000261538146 135175245 /nfs/dbraw/zinc/17/52/45/135175245.db2.gz IRSJDDXFEIPUBV-ZYHUDNBSSA-N 1 0 246.345 2.481 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)C[C@@H](C)[NH2+]1 ZINC000261538116 135175605 /nfs/dbraw/zinc/17/56/05/135175605.db2.gz DFNKFYDJYVFGOP-IJLUTSLNSA-N 1 0 246.345 2.494 10 0 BEAERO C[C@H](CC1CC1)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261544672 135185840 /nfs/dbraw/zinc/18/58/40/135185840.db2.gz FDQDIKJPTXDIPK-RTXFEEFZSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1CCC[C@@H](C)N1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261550281 135189170 /nfs/dbraw/zinc/18/91/70/135189170.db2.gz LDZZUXKBZIVSQU-JHJVBQTASA-N 1 0 238.375 2.308 10 0 BEAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1CCCCCCC1 ZINC000261557722 135198997 /nfs/dbraw/zinc/19/89/97/135198997.db2.gz RWEORZQUFJYHJA-DGCLKSJQSA-N 1 0 238.375 2.295 10 0 BEAERO Cc1ccc(C)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000163836767 135208965 /nfs/dbraw/zinc/20/89/65/135208965.db2.gz KNDRKZCSTVYUBX-NSHDSACASA-N 1 0 232.327 2.097 10 0 BEAERO C[C@H](C(=O)NC(C)(C)CC(C)(C)C)C1C[NH2+]C1 ZINC000164082280 135212765 /nfs/dbraw/zinc/21/27/65/135212765.db2.gz CLLBBAUOUICRFF-JTQLQIEISA-N 1 0 240.391 2.173 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1Nc1nccc(C(C)(C)C)n1 ZINC000261573857 135215832 /nfs/dbraw/zinc/21/58/32/135215832.db2.gz MMZSIGXFNUURDI-GHMZBOCLSA-N 1 0 248.374 2.327 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nccc(C(C)(C)C)n1 ZINC000261573858 135216081 /nfs/dbraw/zinc/21/60/81/135216081.db2.gz MMZSIGXFNUURDI-MNOVXSKESA-N 1 0 248.374 2.327 10 0 BEAERO Cc1nc(N2CC[C@@H]([NH3+])C(C)(C)C2)sc1C ZINC000261582022 135222067 /nfs/dbraw/zinc/22/20/67/135222067.db2.gz NYOPTUMNAOCIHY-SNVBAGLBSA-N 1 0 239.388 2.324 10 0 BEAERO CCC[C@H](C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261671026 135244989 /nfs/dbraw/zinc/24/49/89/135244989.db2.gz AEIVCRUEBPPDLS-RYUDHWBXSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])cc1C ZINC000261699755 135246963 /nfs/dbraw/zinc/24/69/63/135246963.db2.gz CPGLRTHHWFFEAI-NEPJUHHUSA-N 1 0 234.343 2.218 10 0 BEAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000261728382 135248122 /nfs/dbraw/zinc/24/81/22/135248122.db2.gz FSTDVVVOSFTGPH-TUAOUCFPSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H]([C@H](C)NC(=O)C[C@H](C)[NH3+])C1CCCCC1 ZINC000261728381 135248313 /nfs/dbraw/zinc/24/83/13/135248313.db2.gz FSTDVVVOSFTGPH-SRVKXCTJSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H](N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1(C)CC1 ZINC000261752852 135250009 /nfs/dbraw/zinc/25/00/09/135250009.db2.gz MWNYRNLIYJZFAR-IJLUTSLNSA-N 1 0 238.375 2.008 10 0 BEAERO CCC(C)(C)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261830955 135256109 /nfs/dbraw/zinc/25/61/09/135256109.db2.gz OSISERULUJWLLQ-RYUDHWBXSA-N 1 0 240.391 2.399 10 0 BEAERO CCC(C)(C)CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261830960 135256357 /nfs/dbraw/zinc/25/63/57/135256357.db2.gz OSISERULUJWLLQ-VXGBXAGGSA-N 1 0 240.391 2.399 10 0 BEAERO C[NH2+][C@H](C)Cc1noc(C[C@@H](C)C(C)(C)C)n1 ZINC000261882092 135260311 /nfs/dbraw/zinc/26/03/11/135260311.db2.gz WLTSJKJVOZCTJW-NXEZZACHSA-N 1 0 239.363 2.445 10 0 BEAERO C[C@@H](CCC1CCCCC1)NC(=O)C1C[NH2+]C1 ZINC000262275611 135288717 /nfs/dbraw/zinc/28/87/17/135288717.db2.gz UUJBBXSXHHCWPL-NSHDSACASA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000085357728 135481903 /nfs/dbraw/zinc/48/19/03/135481903.db2.gz ATUJQZDSECDTNI-GXSJLCMTSA-N 1 0 236.290 2.200 10 0 BEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000088169526 135516969 /nfs/dbraw/zinc/51/69/69/135516969.db2.gz MMHKYZBWIPGDBI-IVZWLZJFSA-N 1 0 238.356 2.053 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1cnc2ccccc2n1 ZINC000094948104 135622787 /nfs/dbraw/zinc/62/27/87/135622787.db2.gz DQCFYBQZNRUISU-JTQLQIEISA-N 1 0 230.315 2.169 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000094948108 135622837 /nfs/dbraw/zinc/62/28/37/135622837.db2.gz YXQSVMYKMAXAEV-ZETCQYMHSA-N 1 0 248.252 2.035 10 0 BEAERO CCCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334794660 135815557 /nfs/dbraw/zinc/81/55/57/135815557.db2.gz CRSIGNOZTXMFBB-RYUDHWBXSA-N 1 0 209.333 2.287 10 0 BEAERO Cc1cscc1NC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000334856048 135825015 /nfs/dbraw/zinc/82/50/15/135825015.db2.gz VTCSEGHVNDPZED-DTWKUNHWSA-N 1 0 239.344 2.010 10 0 BEAERO CC1(C)CCC[C@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000335144878 135911592 /nfs/dbraw/zinc/91/15/92/135911592.db2.gz CFHGFTAXQYJMCQ-RYUDHWBXSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1ccnc(N2CC[C@@H]([NH3+])[C@H](C)C2)c1Cl ZINC000335300812 136024007 /nfs/dbraw/zinc/02/40/07/136024007.db2.gz SRFIQVCNOAMMLX-NXEZZACHSA-N 1 0 239.750 2.217 10 0 BEAERO C[C@H]1CC(C[NH2+]C2CCC(O)CC2)C[C@H](C)O1 ZINC000335312155 136030297 /nfs/dbraw/zinc/03/02/97/136030297.db2.gz DCQWBXREWFDDNQ-BCVKRFQSSA-N 1 0 241.375 2.083 10 0 BEAERO CCc1nnc(C[NH2+][C@H]2CCC[C@@H]2CC)n1C ZINC000348149136 136039757 /nfs/dbraw/zinc/03/97/57/136039757.db2.gz IZAZXXNNNJQIIT-QWRGUYRKSA-N 1 0 236.363 2.046 10 0 BEAERO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000348261896 136057923 /nfs/dbraw/zinc/05/79/23/136057923.db2.gz HKHANGVFQGSYKQ-IJLUTSLNSA-N 1 0 225.332 2.203 10 0 BEAERO Cc1cnc([C@H](C)NCC[C@H]2CCC[N@@H+]2C)o1 ZINC000348361555 136072834 /nfs/dbraw/zinc/07/28/34/136072834.db2.gz SXMRFDFKJJPDRD-NWDGAFQWSA-N 1 0 237.347 2.118 10 0 BEAERO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(C)C ZINC000336776049 168301323 /nfs/dbraw/zinc/30/13/23/168301323.db2.gz DOBYLJDQUYOTNN-QWRGUYRKSA-N 1 0 228.380 2.314 10 0 BEAERO CSCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000178871456 397850964 /nfs/dbraw/zinc/85/09/64/397850964.db2.gz XBJJQJDDBUUVJN-NSHDSACASA-N 1 0 225.361 2.300 10 0 BEAERO C[C@@H]1CSC(N[C@H]2CC23CCCC3)=[NH+]1 ZINC000306884125 397935959 /nfs/dbraw/zinc/93/59/59/397935959.db2.gz PZDUGKCBZDHOMZ-BDAKNGLRSA-N 1 0 210.346 2.400 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(O)c(F)c1 ZINC000020551069 397966486 /nfs/dbraw/zinc/96/64/86/397966486.db2.gz ZCXJXOMGGOGZHR-KOLCDFICSA-N 1 0 239.290 2.361 10 0 BEAERO [NH3+][C@@]1(c2cscn2)CCCSCC1 ZINC000575460613 397944321 /nfs/dbraw/zinc/94/43/21/397944321.db2.gz HYHSCUUOAAKQAZ-VIFPVBQESA-N 1 0 214.359 2.214 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(O)c(F)c1 ZINC000020551071 397966667 /nfs/dbraw/zinc/96/66/67/397966667.db2.gz ZCXJXOMGGOGZHR-ONGXEEELSA-N 1 0 239.290 2.361 10 0 BEAERO [NH3+]C1CC(c2cncc(Br)c2)C1 ZINC000575501131 397967352 /nfs/dbraw/zinc/96/73/52/397967352.db2.gz XZABLIUYDNTCDV-UHFFFAOYSA-N 1 0 227.105 2.049 10 0 BEAERO Cc1cccc([C@@H]2[NH2+]CCc3cc(O)ccc32)n1 ZINC000033390296 398011605 /nfs/dbraw/zinc/01/16/05/398011605.db2.gz SKSZOMKGBNRXFL-OAHLLOKOSA-N 1 0 240.306 2.331 10 0 BEAERO CC(C)Oc1ccc(C(N)=[NH2+])cc1Cl ZINC000042411035 398014912 /nfs/dbraw/zinc/01/49/12/398014912.db2.gz QMSBOBBNXGAAHF-UHFFFAOYSA-N 1 0 212.680 2.411 10 0 BEAERO CC(C)CCCNC(=O)C1CCC([NH3+])CC1 ZINC000038093873 398024689 /nfs/dbraw/zinc/02/46/89/398024689.db2.gz SLWVBARIFIIHRB-UHFFFAOYSA-N 1 0 226.364 2.056 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000054073765 398025250 /nfs/dbraw/zinc/02/52/50/398025250.db2.gz WWNARNAQJQKVHS-TZMCWYRMSA-N 1 0 248.370 2.498 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000336733150 398031419 /nfs/dbraw/zinc/03/14/19/398031419.db2.gz MDGLHAYKHCHEHM-SRVKXCTJSA-N 1 0 215.312 2.141 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000383806701 398037749 /nfs/dbraw/zinc/03/77/49/398037749.db2.gz OWHZAMSISJRSIH-STQMWFEESA-N 1 0 240.391 2.269 10 0 BEAERO [NH3+]CCc1cc(Cl)ccc1N1CCC1 ZINC000307119871 397981455 /nfs/dbraw/zinc/98/14/55/397981455.db2.gz GSASTHPJFLHRJY-UHFFFAOYSA-N 1 0 210.708 2.051 10 0 BEAERO CC(C)OC1CC([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000186552756 398068414 /nfs/dbraw/zinc/06/84/14/398068414.db2.gz HWRYFCFZGAUASQ-XVSSEFHLSA-N 1 0 227.348 2.100 10 0 BEAERO CC(C)[C@@H]1CCC(=O)[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251350755 398078509 /nfs/dbraw/zinc/07/85/09/398078509.db2.gz SGTWBAIHMXUZNB-IJLUTSLNSA-N 1 0 209.333 2.380 10 0 BEAERO COc1cc2c(cc1F)CC[C@H]([NH+](C)C)C2 ZINC000584626027 398079645 /nfs/dbraw/zinc/07/96/45/398079645.db2.gz DDOFGAJIZYWJKV-NSHDSACASA-N 1 0 223.291 2.253 10 0 BEAERO Cc1ccsc1-c1cnn(CCC[NH3+])c1 ZINC000309059931 398107707 /nfs/dbraw/zinc/10/77/07/398107707.db2.gz VDEXGBICBGELHF-UHFFFAOYSA-N 1 0 221.329 2.269 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCSC ZINC000245414868 398115392 /nfs/dbraw/zinc/11/53/92/398115392.db2.gz CSEUYIWAEQJIQJ-OLZOCXBDSA-N 1 0 242.432 2.298 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(OC)s1 ZINC000389738853 398131178 /nfs/dbraw/zinc/13/11/78/398131178.db2.gz VFNILYXJJLULSH-PSASIEDQSA-N 1 0 226.345 2.430 10 0 BEAERO CC[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000068343869 398123118 /nfs/dbraw/zinc/12/31/18/398123118.db2.gz JIRZPVHATYJQKS-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1ccnc(N2CC[NH2+]C(C)(C)C2)c1Cl ZINC000334976820 398123145 /nfs/dbraw/zinc/12/31/45/398123145.db2.gz FYDDCVYHXUIDRO-UHFFFAOYSA-N 1 0 239.750 2.232 10 0 BEAERO CC(C)C[NH2+]CCCCCOC[C@@H]1CCOC1 ZINC000052704867 167003311 /nfs/dbraw/zinc/00/33/11/167003311.db2.gz QKNANIOLDOBYSU-AWEZNQCLSA-N 1 0 243.391 2.455 10 0 BEAERO CC(C)C[NH2+][C@H]1C[C@@H](CO)c2ccccc21 ZINC000364444705 167015254 /nfs/dbraw/zinc/01/52/54/167015254.db2.gz VZGFZRYJJDRGBW-FZMZJTMJSA-N 1 0 219.328 2.453 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000402170311 533674767 /nfs/dbraw/zinc/67/47/67/533674767.db2.gz TXORMMZRVAAPRB-JHJVBQTASA-N 1 0 209.333 2.045 10 0 BEAERO CC[C@]1(C(=O)N2CCC[C@H](C)[C@@H]2C)CC[NH2+]C1 ZINC000062903433 1172787583 /nfs/dbraw/zinc/78/75/83/1172787583.db2.gz JJSASUKTQBTLPW-OBJOEFQTSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102927048 167038368 /nfs/dbraw/zinc/03/83/68/167038368.db2.gz VGEHJPJROUMWPP-CYBMUJFWSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)[NH2+]CCCC(=O)N(C)c1ccccc1 ZINC000037632195 167099193 /nfs/dbraw/zinc/09/91/93/167099193.db2.gz YHCTZPHHUZNESX-UHFFFAOYSA-N 1 0 234.343 2.428 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@H](C)C2(CCC2)C1 ZINC000375680847 167104391 /nfs/dbraw/zinc/10/43/91/167104391.db2.gz VXMYPODXFZFAQR-ZDUSSCGKSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)Cc1ccc(Cl)cc1 ZINC000071533478 167110979 /nfs/dbraw/zinc/11/09/79/167110979.db2.gz YAXAXNIWGKNXSG-LBPRGKRZSA-N 1 0 227.735 2.241 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)Cc1ccccc1Cl ZINC000071533476 167111132 /nfs/dbraw/zinc/11/11/32/167111132.db2.gz LKEDKHPELLHCJO-NSHDSACASA-N 1 0 227.735 2.241 10 0 BEAERO CC(C)[NH2+]Cc1nncn1C1CCCCC1 ZINC000054526553 167123961 /nfs/dbraw/zinc/12/39/61/167123961.db2.gz SPQSRXMPQNKYOC-UHFFFAOYSA-N 1 0 222.336 2.281 10 0 BEAERO CC(C)[NH2+]Cc1sc(N(C)C)nc1Cl ZINC000045206300 167124316 /nfs/dbraw/zinc/12/43/16/167124316.db2.gz GVDJGAKFNCCADU-UHFFFAOYSA-N 1 0 233.768 2.361 10 0 BEAERO CC(C)[NH2+][C@H](c1nccs1)[C@@H]1CCOC1 ZINC000041061537 167139534 /nfs/dbraw/zinc/13/95/34/167139534.db2.gz QPOUZYMXHRVKSY-ZJUUUORDSA-N 1 0 226.345 2.219 10 0 BEAERO CC(C)[NH2+][C@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976293 167143163 /nfs/dbraw/zinc/14/31/63/167143163.db2.gz LYWXYOKRHNBEAV-MEDUHNTESA-N 1 0 241.331 2.376 10 0 BEAERO CCC1(CNC(=O)C2CCC([NH3+])CC2)CCC1 ZINC000225454148 487580715 /nfs/dbraw/zinc/58/07/15/487580715.db2.gz FMWSPRJDVFWDDA-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO C[C@H](CCCO)[NH2+]Cc1ccnc2ccccc12 ZINC000094942233 322911254 /nfs/dbraw/zinc/91/12/54/322911254.db2.gz XHCNGDQSWUVENY-GFCCVEGCSA-N 1 0 244.338 2.485 10 0 BEAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000370417011 167269463 /nfs/dbraw/zinc/26/94/63/167269463.db2.gz VYXBAOQOFSZMOP-MCIONIFRSA-N 1 0 241.375 2.037 10 0 BEAERO Cc1nc(C)c([C@H](C)[NH2+]C2CC(CO)C2)s1 ZINC000658350098 487590530 /nfs/dbraw/zinc/59/05/30/487590530.db2.gz AXPPYGGGFQKDIM-PUSIOWJLSA-N 1 0 240.372 2.181 10 0 BEAERO CC(C)SCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000369503233 167325696 /nfs/dbraw/zinc/32/56/96/167325696.db2.gz JORAUTCGMMKPJB-CYBMUJFWSA-N 1 0 242.432 2.298 10 0 BEAERO C[C@@H](C[NH3+])N(C)C[C@H]1CCCCC1(F)F ZINC000324428386 487609760 /nfs/dbraw/zinc/60/97/60/487609760.db2.gz BADGURUPSTXRLK-VHSXEESVSA-N 1 0 220.307 2.091 10 0 BEAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccccc1C ZINC000662343332 409655832 /nfs/dbraw/zinc/65/58/32/409655832.db2.gz JZYCDFUDOHLVIW-WCQYABFASA-N 1 0 234.343 2.170 10 0 BEAERO CC(C)[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662347761 409664574 /nfs/dbraw/zinc/66/45/74/409664574.db2.gz NACIENGGJXWYMC-JTQLQIEISA-N 1 0 232.327 2.064 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662446205 409721867 /nfs/dbraw/zinc/72/18/67/409721867.db2.gz KFGYRLWNSWEKDU-LERXQTSPSA-N 1 0 246.354 2.164 10 0 BEAERO CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000660758624 409717394 /nfs/dbraw/zinc/71/73/94/409717394.db2.gz UYHVWFPDPVOZDC-GMTAPVOTSA-N 1 0 235.318 2.371 10 0 BEAERO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000660758623 409718643 /nfs/dbraw/zinc/71/86/43/409718643.db2.gz UYHVWFPDPVOZDC-AXFHLTTASA-N 1 0 235.318 2.371 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662625797 409798634 /nfs/dbraw/zinc/79/86/34/409798634.db2.gz HPBDMCJTYVGLGY-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO Brc1ccc([C@@H]2CCC[NH2+]C2)[nH]1 ZINC000082349566 166100203 /nfs/dbraw/zinc/10/02/03/166100203.db2.gz WDDCZWVLISPAEJ-SSDOTTSWSA-N 1 0 229.121 2.244 10 0 BEAERO Brc1cccc([C@@H]2CC[NH2+]2)c1 ZINC000084178947 166100944 /nfs/dbraw/zinc/10/09/44/166100944.db2.gz RBMKGJLVXVPZFJ-VIFPVBQESA-N 1 0 212.090 2.484 10 0 BEAERO Brc1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000095828449 166101426 /nfs/dbraw/zinc/10/14/26/166101426.db2.gz QSJYEKJIUXRSGK-MRVPVSSYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1cccnc1[C@@H]1CCC[NH2+]C1 ZINC000096893773 166102390 /nfs/dbraw/zinc/10/23/90/166102390.db2.gz LANNNPZIQDFOLV-MRVPVSSYSA-N 1 0 241.132 2.311 10 0 BEAERO CC1CC(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])C1 ZINC000653238631 410181005 /nfs/dbraw/zinc/18/10/05/410181005.db2.gz RTQBBJJOKDUFBL-PYNQCMFNSA-N 1 0 238.375 2.008 10 0 BEAERO Brc1ccnc([C@H]2CCC[NH2+]C2)c1 ZINC000096893776 166103176 /nfs/dbraw/zinc/10/31/76/166103176.db2.gz NJYOVWGHVOAOCY-QMMMGPOBSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccnc([C@@H]2CCC[NH2+]C2)c1 ZINC000096893775 166103432 /nfs/dbraw/zinc/10/34/32/166103432.db2.gz NJYOVWGHVOAOCY-MRVPVSSYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1csc([C@H]2C[NH2+]CO2)c1 ZINC000082547307 166105930 /nfs/dbraw/zinc/10/59/30/166105930.db2.gz WBOAHZAYHKAJGJ-ZCFIWIBFSA-N 1 0 234.118 2.129 10 0 BEAERO Brc1cnccc1C1CC[NH2+]CC1 ZINC000211516592 166106684 /nfs/dbraw/zinc/10/66/84/166106684.db2.gz PKRYHBRISSOGBC-UHFFFAOYSA-N 1 0 241.132 2.311 10 0 BEAERO c1cc2cccc(CN[C@@H]3CC[NH2+]C3)c2s1 ZINC000650740570 410374246 /nfs/dbraw/zinc/37/42/46/410374246.db2.gz MWBKJTSAJDDFJG-GFCCVEGCSA-N 1 0 232.352 2.353 10 0 BEAERO CCCc1nccnc1NC[C@H](C)C[NH+](C)C ZINC000663930836 410385864 /nfs/dbraw/zinc/38/58/64/410385864.db2.gz DVYGOGRYEDNVOB-NSHDSACASA-N 1 0 236.363 2.039 10 0 BEAERO CC(=O)c1ccc(N(CC[NH3+])CC(C)C)cc1 ZINC000076617288 166461660 /nfs/dbraw/zinc/46/16/60/166461660.db2.gz NIVVTQINASBUDX-UHFFFAOYSA-N 1 0 234.343 2.310 10 0 BEAERO CC(C)(C)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000051783641 166544388 /nfs/dbraw/zinc/54/43/88/166544388.db2.gz JJVWUGYJYMBKGD-GFCCVEGCSA-N 1 0 210.365 2.106 10 0 BEAERO CC(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000040494354 166585405 /nfs/dbraw/zinc/58/54/05/166585405.db2.gz BRORIQONNRKSKR-WOPDTQHZSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)(C)C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000112344177 166592118 /nfs/dbraw/zinc/59/21/18/166592118.db2.gz HTVWLSBCEMQBRY-LLVKDONJSA-N 1 0 234.343 2.388 10 0 BEAERO CC(C)(C)NC(=O)N(CCC[NH3+])C1CCCC1 ZINC000036731709 166618096 /nfs/dbraw/zinc/61/80/96/166618096.db2.gz VULDQYCSXJFIRI-UHFFFAOYSA-N 1 0 241.379 2.088 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616654783 410735605 /nfs/dbraw/zinc/73/56/05/410735605.db2.gz MFGPHIBESSPKSP-LLVKDONJSA-N 1 0 236.363 2.475 10 0 BEAERO CC(C)CC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037915891 166762863 /nfs/dbraw/zinc/76/28/63/166762863.db2.gz WVVQJCGJGHXQQV-ZDUSSCGKSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052554681 166767483 /nfs/dbraw/zinc/76/74/83/166767483.db2.gz KCCMFRHEIRLBAS-AWEZNQCLSA-N 1 0 248.370 2.452 10 0 BEAERO COC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1C ZINC000393918516 410769580 /nfs/dbraw/zinc/76/95/80/410769580.db2.gz GPHMYJWGGKAYFJ-KWCYVHTRSA-N 1 0 219.328 2.475 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC(C)(C)c1ccccc1 ZINC000394417981 410789502 /nfs/dbraw/zinc/78/95/02/410789502.db2.gz PAHVQDKYPMXEKE-CYBMUJFWSA-N 1 0 248.370 2.411 10 0 BEAERO [NH3+]C[C@@H]1CCCN1C[C@H]1CCCCC1(F)F ZINC000394538825 410802172 /nfs/dbraw/zinc/80/21/72/410802172.db2.gz WHQBGXOUBSPVNB-MNOVXSKESA-N 1 0 232.318 2.235 10 0 BEAERO CC(C)CC[C@@](C)(C[NH3+])N1C[C@H](C)O[C@@H](C)C1 ZINC000019518776 166901803 /nfs/dbraw/zinc/90/18/03/166901803.db2.gz OURCWYPWGJKLNV-IHRRRGAJSA-N 1 0 242.407 2.249 10 0 BEAERO Cc1sccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000309052439 410851831 /nfs/dbraw/zinc/85/18/31/410851831.db2.gz QODZZSXBYZKPFO-NWDGAFQWSA-N 1 0 225.357 2.450 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@H]1C(C)C ZINC000395870749 410867344 /nfs/dbraw/zinc/86/73/44/410867344.db2.gz YHRZVEKSFTYPAO-OLZOCXBDSA-N 1 0 240.391 2.397 10 0 BEAERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396640910 410892234 /nfs/dbraw/zinc/89/22/34/410892234.db2.gz MVHRREMUPQUICM-NQBHXWOUSA-N 1 0 238.400 2.409 10 0 BEAERO CC(C)C[NH2+]C[C@@H](C)OCCc1ccccn1 ZINC000052633677 167004788 /nfs/dbraw/zinc/00/47/88/167004788.db2.gz LKHCONCSFMEFEH-CYBMUJFWSA-N 1 0 236.359 2.275 10 0 BEAERO CC(C)C[NH2+]C[C@@H](Cc1cnn(C)c1)C(C)C ZINC000052972762 167005372 /nfs/dbraw/zinc/00/53/72/167005372.db2.gz SQQFRIRIWYDHNP-CQSZACIVSA-N 1 0 237.391 2.480 10 0 BEAERO CC(C)C[NH2+]C[C@H](O)CO[C@H]1CCC[C@@H](C)C1 ZINC000100236695 167006259 /nfs/dbraw/zinc/00/62/59/167006259.db2.gz YALLUAIJXIJKPE-RDBSUJKOSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)C[NH2+][C@H](C)[C@H](O)c1cccs1 ZINC000003625669 167012934 /nfs/dbraw/zinc/01/29/34/167012934.db2.gz UQQZLAWWRVNBKF-KOLCDFICSA-N 1 0 213.346 2.416 10 0 BEAERO CC(C)C[NH2+]C[C@H]1CNc2ccccc2O1 ZINC000040408649 167008894 /nfs/dbraw/zinc/00/88/94/167008894.db2.gz KBLCTCIFAQXIFW-NSHDSACASA-N 1 0 220.316 2.105 10 0 BEAERO CC(C)C[NH2+]Cc1ccc(OC[C@H](C)O)cc1 ZINC000062728920 167010719 /nfs/dbraw/zinc/01/07/19/167010719.db2.gz ZYXBCDFYNMAPMQ-LBPRGKRZSA-N 1 0 237.343 2.192 10 0 BEAERO Cc1ccccc1-n1cc(C[NH2+]C2CC2)cn1 ZINC000040932316 410897966 /nfs/dbraw/zinc/89/79/66/410897966.db2.gz PIRGBUPJTLASKH-UHFFFAOYSA-N 1 0 227.311 2.433 10 0 BEAERO CC(C)C[NH2+][C@@H]1CCC[C@H]1n1ccnc1 ZINC000037106652 167012655 /nfs/dbraw/zinc/01/26/55/167012655.db2.gz UWKYPMBVWIMYBR-VXGBXAGGSA-N 1 0 207.321 2.222 10 0 BEAERO CC(C)COC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000122787108 167023301 /nfs/dbraw/zinc/02/33/01/167023301.db2.gz DHJFTNVDNKCQLN-AWEZNQCLSA-N 1 0 241.375 2.302 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](Nc2ccc(O)cc2)C1 ZINC000045654498 167025418 /nfs/dbraw/zinc/02/54/18/167025418.db2.gz WLUYUYMVECIJDZ-LBPRGKRZSA-N 1 0 220.316 2.287 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)NC[C@H]1Cc1ccccc1 ZINC000062615707 167033999 /nfs/dbraw/zinc/03/39/99/167033999.db2.gz LUBCKUVNFSWAFM-DZGCQCFKSA-N 1 0 232.371 2.300 10 0 BEAERO CC(C)NC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000020209388 167078415 /nfs/dbraw/zinc/07/84/15/167078415.db2.gz AHBUDCLIZQUKRU-VIFPVBQESA-N 1 0 221.304 2.236 10 0 BEAERO CC(C)[NH2+]CC(C)(C)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000051209712 167098009 /nfs/dbraw/zinc/09/80/09/167098009.db2.gz NPWLRIHHRUEMFC-BETUJISGSA-N 1 0 242.407 2.120 10 0 BEAERO CC(C)[NH2+]CC1CCN(c2nccs2)CC1 ZINC000053664696 167099345 /nfs/dbraw/zinc/09/93/45/167099345.db2.gz LAJAPBUQOXJZCP-UHFFFAOYSA-N 1 0 239.388 2.358 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1c(F)cccc1F ZINC000228265272 167102011 /nfs/dbraw/zinc/10/20/11/167102011.db2.gz SOWHWYPTQQNYAY-UHFFFAOYSA-N 1 0 242.313 2.395 10 0 BEAERO CC(C)[NH2+]CCCC(=O)N[C@@H](C)c1ccco1 ZINC000037633316 167102022 /nfs/dbraw/zinc/10/20/22/167102022.db2.gz FJAHGQNKQIGHBZ-NSHDSACASA-N 1 0 238.331 2.235 10 0 BEAERO CC(C)[NH2+]CCCc1nc(-c2cccnc2)no1 ZINC000037395779 167102187 /nfs/dbraw/zinc/10/21/87/167102187.db2.gz RSQLDIMZOJOSJY-UHFFFAOYSA-N 1 0 246.314 2.062 10 0 BEAERO CC(C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000037475086 167102193 /nfs/dbraw/zinc/10/21/93/167102193.db2.gz GFFRVXGRXVYXQM-UHFFFAOYSA-N 1 0 211.309 2.124 10 0 BEAERO CC(C)[NH2+]CCCc1nnc(-c2ccncc2)o1 ZINC000050617562 167103085 /nfs/dbraw/zinc/10/30/85/167103085.db2.gz WHWCKEMBOCOHKQ-UHFFFAOYSA-N 1 0 246.314 2.062 10 0 BEAERO CC(C)[NH2+]CCOc1nncc2ccccc21 ZINC000051871782 167108400 /nfs/dbraw/zinc/10/84/00/167108400.db2.gz NBGYBDFBQFRGCW-UHFFFAOYSA-N 1 0 231.299 2.007 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)COc1csc(Cl)c1 ZINC000033899202 167110344 /nfs/dbraw/zinc/11/03/44/167110344.db2.gz YKROWALZNVVGSV-MRVPVSSYSA-N 1 0 249.763 2.139 10 0 BEAERO CC(C)[NH2+]C[C@@H](C)N1Cc2ccccc2C1 ZINC000052374237 167110632 /nfs/dbraw/zinc/11/06/32/167110632.db2.gz DCMBJIYFBMKTEQ-GFCCVEGCSA-N 1 0 218.344 2.389 10 0 BEAERO CC(C)[NH2+]C[C@@H](C)n1cc(Cl)cn1 ZINC000052577313 167111223 /nfs/dbraw/zinc/11/12/23/167111223.db2.gz BNGJQGMJKDDAJH-MRVPVSSYSA-N 1 0 201.701 2.096 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCCN1C(F)(F)F ZINC000095088483 167111438 /nfs/dbraw/zinc/11/14/38/167111438.db2.gz HRKLIQHQVQHJAE-VIFPVBQESA-N 1 0 224.270 2.359 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)CO[C@@H](C)c1ccccc1 ZINC000003609048 167111999 /nfs/dbraw/zinc/11/19/99/167111999.db2.gz MBNNABIVZGFXAG-GXTWGEPZSA-N 1 0 237.343 2.123 10 0 BEAERO CC(C)[NH2+]C[C@](C)(O)c1ccccc1F ZINC000055033102 167117126 /nfs/dbraw/zinc/11/71/26/167117126.db2.gz JGSLUBBCUVYCCR-LBPRGKRZSA-N 1 0 211.280 2.031 10 0 BEAERO CC(C)[NH2+][C@@H](CCO)c1ccnc(Cl)c1 ZINC000095088297 167131964 /nfs/dbraw/zinc/13/19/64/167131964.db2.gz JVXWGFJRZQFFSQ-JTQLQIEISA-N 1 0 228.723 2.157 10 0 BEAERO CC(C)[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000038115667 167143031 /nfs/dbraw/zinc/14/30/31/167143031.db2.gz OQKPQKUWKHQPLO-AWEZNQCLSA-N 1 0 219.328 2.209 10 0 BEAERO CC(C)[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757116 167144340 /nfs/dbraw/zinc/14/43/40/167144340.db2.gz MXMXLGKWLMPMBJ-UHFFFAOYSA-N 1 0 202.257 2.348 10 0 BEAERO CC(C)OCCOc1ccccc1C[C@@H](C)[NH3+] ZINC000049261073 167249000 /nfs/dbraw/zinc/24/90/00/167249000.db2.gz OXFDTOOCCRKOCA-GFCCVEGCSA-N 1 0 237.343 2.380 10 0 BEAERO CC(C)OCCO[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042973787 167249714 /nfs/dbraw/zinc/24/97/14/167249714.db2.gz ZLJLPNSAEIWRAY-ZDUSSCGKSA-N 1 0 241.306 2.267 10 0 BEAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000370417010 167269055 /nfs/dbraw/zinc/26/90/55/167269055.db2.gz VYXBAOQOFSZMOP-BFHYXJOUSA-N 1 0 241.375 2.037 10 0 BEAERO CC(C)Oc1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC000041266676 167292673 /nfs/dbraw/zinc/29/26/73/167292673.db2.gz IODZRZSTIFBWSG-UHFFFAOYSA-N 1 0 235.327 2.045 10 0 BEAERO CC(C)Oc1ccc(COCC[NH3+])cc1F ZINC000077341184 167293387 /nfs/dbraw/zinc/29/33/87/167293387.db2.gz SGOQAMHRORVTRJ-UHFFFAOYSA-N 1 0 227.279 2.088 10 0 BEAERO CC(C)Oc1cccc([C@H](O)C[NH2+]C2CC2)c1 ZINC000033465498 167308887 /nfs/dbraw/zinc/30/88/87/167308887.db2.gz WSZHVTHVPIGQPX-CQSZACIVSA-N 1 0 235.327 2.259 10 0 BEAERO CC(C)Oc1ccccc1N(C)CCC[NH3+] ZINC000020239909 167311189 /nfs/dbraw/zinc/31/11/89/167311189.db2.gz ZGHNRDHMMMUAPH-UHFFFAOYSA-N 1 0 222.332 2.259 10 0 BEAERO CC(C)[C@@H](C)CC(=O)NC1CCC([NH3+])CC1 ZINC000236657329 167356575 /nfs/dbraw/zinc/35/65/75/167356575.db2.gz LCLKFOUBJVUECY-UNXYVOJBSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[C@@H](C)N(C)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000036788079 167364707 /nfs/dbraw/zinc/36/47/07/167364707.db2.gz ZFJSYIQBGFTXNQ-NEPJUHHUSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(O)c(N)c1 ZINC000036786395 167368676 /nfs/dbraw/zinc/36/86/76/167368676.db2.gz PHZNFRIGDXFXDI-SNVBAGLBSA-N 1 0 222.332 2.451 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000309670072 167381901 /nfs/dbraw/zinc/38/19/01/167381901.db2.gz JMFBCUIFHDIUMO-VXGBXAGGSA-N 1 0 221.348 2.080 10 0 BEAERO C[C@@H](CCC1CC1)NC(=O)C1CCC([NH3+])CC1 ZINC000398069581 410939939 /nfs/dbraw/zinc/93/99/39/410939939.db2.gz GENGXFQBMGOJDB-PKSQDBQZSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000020306288 167383365 /nfs/dbraw/zinc/38/33/65/167383365.db2.gz YPOCQUYHRNOSLH-GFCCVEGCSA-N 1 0 244.342 2.401 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000128656166 167385348 /nfs/dbraw/zinc/38/53/48/167385348.db2.gz QYAROGPMPSOZJB-PWSUYJOCSA-N 1 0 234.343 2.386 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@H]1COc2cc(O)ccc21 ZINC000020522821 167385466 /nfs/dbraw/zinc/38/54/66/167385466.db2.gz IXONMFKIKABNPL-SKDRFNHKSA-N 1 0 221.300 2.460 10 0 BEAERO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cncs1 ZINC000123589724 167392561 /nfs/dbraw/zinc/39/25/61/167392561.db2.gz TUXOTGHOWATMMJ-NXEZZACHSA-N 1 0 228.361 2.201 10 0 BEAERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc(N)cc1F ZINC000049194661 167394954 /nfs/dbraw/zinc/39/49/54/167394954.db2.gz OEANRVUMDWTVEI-CYBMUJFWSA-N 1 0 239.338 2.406 10 0 BEAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(O)cc1 ZINC000049195012 167395748 /nfs/dbraw/zinc/39/57/48/167395748.db2.gz RXNAYXBRIUWINP-CQSZACIVSA-N 1 0 236.359 2.068 10 0 BEAERO CC(C)[C@@H](CN(C)C)NC(=[NH2+])Nc1ccccc1 ZINC000052048360 167395760 /nfs/dbraw/zinc/39/57/60/167395760.db2.gz XXRNKZWJLSODKM-CYBMUJFWSA-N 1 0 248.374 2.209 10 0 BEAERO CC(C)[C@@H]([NH3+])[C@H](O)c1cccc(Cl)c1 ZINC000071518915 167422666 /nfs/dbraw/zinc/42/26/66/167422666.db2.gz VQQGMLLHUVGTPB-GHMZBOCLSA-N 1 0 213.708 2.357 10 0 BEAERO CC[NH+](CC)Cc1cccc2c1NCC2 ZINC000130462621 169791514 /nfs/dbraw/zinc/79/15/14/169791514.db2.gz CKMBSTCYTYNHBL-UHFFFAOYSA-N 1 0 204.317 2.496 10 0 BEAERO C[C@@H]1SCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H]1C ZINC000309787250 410980746 /nfs/dbraw/zinc/98/07/46/410980746.db2.gz SWKMFVMUEVXOLU-WUHRBBMRSA-N 1 0 243.416 2.363 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)CCC1CC1 ZINC000398158031 410944949 /nfs/dbraw/zinc/94/49/49/410944949.db2.gz JLLKWEATCUQNTL-PWSUYJOCSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@H]1C[C@H](C)CN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000399496016 411046863 /nfs/dbraw/zinc/04/68/63/411046863.db2.gz AGFYXECOCXDGBT-QJPTWQEYSA-N 1 0 226.364 2.007 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNCc1nc(C)cs1 ZINC000117382239 169796314 /nfs/dbraw/zinc/79/63/14/169796314.db2.gz QFILJAGFNJLVLB-NSHDSACASA-N 1 0 241.404 2.271 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(C)CCC(C)(C)C ZINC000399796421 411065115 /nfs/dbraw/zinc/06/51/15/411065115.db2.gz UAGBAEKATFRSRC-JTQLQIEISA-N 1 0 214.353 2.008 10 0 BEAERO C[C@H]1CN(Cc2ccccc2C2CC2)C[C@H]1[NH3+] ZINC000300046802 411078493 /nfs/dbraw/zinc/07/84/93/411078493.db2.gz AAAOWOQWINYTIO-XHDPSFHLSA-N 1 0 230.355 2.343 10 0 BEAERO CC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C(C)C ZINC000042592684 411022000 /nfs/dbraw/zinc/02/20/00/411022000.db2.gz BFBZNUKQMRCLCP-ZIAGYGMSSA-N 1 0 248.370 2.107 10 0 BEAERO CC(C)c1ccc([C@@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000091406872 167612976 /nfs/dbraw/zinc/61/29/76/167612976.db2.gz HTCHXKJGMKVNDR-LLVKDONJSA-N 1 0 246.354 2.207 10 0 BEAERO CC[C@]1(C)CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000399433047 411041565 /nfs/dbraw/zinc/04/15/65/411041565.db2.gz POXBBGQCTIBHIK-MBNYWOFBSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCSCC1 ZINC000657881749 411152420 /nfs/dbraw/zinc/15/24/20/411152420.db2.gz YWIAOJRSWGMSBT-GHMZBOCLSA-N 1 0 231.405 2.269 10 0 BEAERO c1ccc2[nH+]c(N3CCCCN3)ccc2c1 ZINC000400250318 411153180 /nfs/dbraw/zinc/15/31/80/411153180.db2.gz YAKLHLATZHZSAE-UHFFFAOYSA-N 1 0 213.284 2.340 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000657894364 411157024 /nfs/dbraw/zinc/15/70/24/411157024.db2.gz ZAOPTDXRGUQDGM-UTUOFQBUSA-N 1 0 209.333 2.070 10 0 BEAERO CC(C)[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000043512517 411120956 /nfs/dbraw/zinc/12/09/56/411120956.db2.gz AQHGKIYKDJAZLU-SMDDNHRTSA-N 1 0 246.354 2.034 10 0 BEAERO C[C@H](C[NH3+])CNc1nccc2ccccc21 ZINC000123806746 411168671 /nfs/dbraw/zinc/16/86/71/411168671.db2.gz GNLWYBMEISMPBK-SNVBAGLBSA-N 1 0 215.300 2.242 10 0 BEAERO C[N@H+](CCOC(C)(C)C)C[C@@H]1CCC[C@H](O)C1 ZINC000660017539 411176733 /nfs/dbraw/zinc/17/67/33/411176733.db2.gz MVPBOJJQLJCUKK-OLZOCXBDSA-N 1 0 243.391 2.284 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111826308 411181360 /nfs/dbraw/zinc/18/13/60/411181360.db2.gz IOVQTNSKHVFCJE-QWHCGFSZSA-N 1 0 246.354 2.314 10 0 BEAERO CC[C@@H]1SCCS[C@@H]1C(=[NH2+])NC1CC1 ZINC000228187355 411182835 /nfs/dbraw/zinc/18/28/35/411182835.db2.gz CGRNNDRWYCPJDG-IUCAKERBSA-N 1 0 230.402 2.343 10 0 BEAERO Cc1cnc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000300711949 411189164 /nfs/dbraw/zinc/18/91/64/411189164.db2.gz CFEFUFSYDDKCEY-USWWRNFRSA-N 1 0 237.347 2.116 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cccs1 ZINC000128918488 411189358 /nfs/dbraw/zinc/18/93/58/411189358.db2.gz LIVFURZIQVDFPC-ZJUUUORDSA-N 1 0 240.372 2.299 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cccs1 ZINC000128918073 411190016 /nfs/dbraw/zinc/19/00/16/411190016.db2.gz LIVFURZIQVDFPC-UWVGGRQHSA-N 1 0 240.372 2.299 10 0 BEAERO CCC[C@H](C)N(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128929978 411190678 /nfs/dbraw/zinc/19/06/78/411190678.db2.gz VZGMPEBZFHCKJZ-WDEREUQCSA-N 1 0 214.353 2.007 10 0 BEAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CC(CO)C2)C1 ZINC000658353581 411244434 /nfs/dbraw/zinc/24/44/34/411244434.db2.gz PMEUCJRAGXSIFN-LQVBTDEGSA-N 1 0 211.349 2.172 10 0 BEAERO CC(C)CC[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128933141 411192628 /nfs/dbraw/zinc/19/26/28/411192628.db2.gz YCAWLMNKPJHYAZ-RYUDHWBXSA-N 1 0 228.380 2.301 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655697495 411244550 /nfs/dbraw/zinc/24/45/50/411244550.db2.gz QONBMRGSBWAEKO-FRRDWIJNSA-N 1 0 242.432 2.344 10 0 BEAERO CCC[C@@H]([NH2+]C1CC(CO)C1)C1CCC1 ZINC000658353503 411244852 /nfs/dbraw/zinc/24/48/52/411244852.db2.gz NFXMJGSYGOVEMX-KGPNIALWSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccn1 ZINC000246222274 411203583 /nfs/dbraw/zinc/20/35/83/411203583.db2.gz PEPKJHHQXNRXKE-GJZGRUSLSA-N 1 0 245.370 2.140 10 0 BEAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)CS1 ZINC000655683269 411224119 /nfs/dbraw/zinc/22/41/19/411224119.db2.gz BRNPHGSQRNCDSB-CMPLNLGQSA-N 1 0 222.357 2.455 10 0 BEAERO C[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000113262371 411231698 /nfs/dbraw/zinc/23/16/98/411231698.db2.gz TVBBXESXODRMGU-HIFPTAJRSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1nccc(C(C)(C)C)n1 ZINC000310337969 411233415 /nfs/dbraw/zinc/23/34/15/411233415.db2.gz NFOJDHXILGAITH-VHSXEESVSA-N 1 0 236.363 2.312 10 0 BEAERO CCc1nc(C[NH2+]CC[C@H]2CCCO2)cs1 ZINC000049591253 411241052 /nfs/dbraw/zinc/24/10/52/411241052.db2.gz BAXSIEFKHHVNEW-LLVKDONJSA-N 1 0 240.372 2.364 10 0 BEAERO CCN(CC[NH3+])c1nc2ccccc2cc1C ZINC000111374686 411167135 /nfs/dbraw/zinc/16/71/35/411167135.db2.gz BUSNOTCTWCTYGQ-UHFFFAOYSA-N 1 0 229.327 2.328 10 0 BEAERO Cc1cccc(C(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000111369205 411167224 /nfs/dbraw/zinc/16/72/24/411167224.db2.gz JIVOBEPVJAHINY-UHFFFAOYSA-N 1 0 246.354 2.386 10 0 BEAERO Fc1cccc2c1CC[C@H]2[NH2+]Cc1cn[nH]c1 ZINC000111356987 411167548 /nfs/dbraw/zinc/16/75/48/411167548.db2.gz BVMDFSCMGGGDFW-CYBMUJFWSA-N 1 0 231.274 2.326 10 0 BEAERO CC(C)(C)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092098319 411268748 /nfs/dbraw/zinc/26/87/48/411268748.db2.gz FJXJLAFTDZISBG-UHFFFAOYSA-N 1 0 236.363 2.036 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CS1 ZINC000655715866 411269600 /nfs/dbraw/zinc/26/96/00/411269600.db2.gz PIMWRXCQBLYRMJ-FVCCEPFGSA-N 1 0 243.416 2.411 10 0 BEAERO Cc1ccccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128878410 411271258 /nfs/dbraw/zinc/27/12/58/411271258.db2.gz BOWVFTIVNBSOKV-LLVKDONJSA-N 1 0 220.316 2.307 10 0 BEAERO CC(C)c1nsc(N[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000129530819 411304007 /nfs/dbraw/zinc/30/40/07/411304007.db2.gz LENQCTIFGMGFOW-IUCAKERBSA-N 1 0 240.376 2.214 10 0 BEAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658236561 411306241 /nfs/dbraw/zinc/30/62/41/411306241.db2.gz JLESNLPMKGGCLV-WKPIXPDZSA-N 1 0 247.338 2.394 10 0 BEAERO Cc1cccc(NCC2([NH3+])CCCC2)n1 ZINC000656610414 411308499 /nfs/dbraw/zinc/30/84/99/411308499.db2.gz DUMDKASKKUAHNI-UHFFFAOYSA-N 1 0 205.305 2.073 10 0 BEAERO CN(CC(C)(C)[NH3+])c1ncc(Cl)cc1F ZINC000656609565 411308642 /nfs/dbraw/zinc/30/86/42/411308642.db2.gz QHOHSYZSSQKNHA-UHFFFAOYSA-N 1 0 231.702 2.048 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000658244208 411310568 /nfs/dbraw/zinc/31/05/68/411310568.db2.gz KJHAEDMNVOOVJJ-CHWSQXEVSA-N 1 0 246.354 2.124 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCO1 ZINC000660263857 411351138 /nfs/dbraw/zinc/35/11/38/411351138.db2.gz OIFUYTZKYPDPEY-IEECTRCBSA-N 1 0 209.333 2.190 10 0 BEAERO COc1cccc([C@H](C)[NH2+]C2CC(CO)C2)c1 ZINC000658350356 411352159 /nfs/dbraw/zinc/35/21/59/411352159.db2.gz CUHAIOJANUXUBD-ZBOXLXRLSA-N 1 0 235.327 2.117 10 0 BEAERO Cc1ccccc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658351276 411353186 /nfs/dbraw/zinc/35/31/86/411353186.db2.gz MDCHNQNILQNQCR-PNESKVBLSA-N 1 0 219.328 2.417 10 0 BEAERO Cc1cc([C@H](C)[NH2+]C2CC(CO)C2)cs1 ZINC000658351919 411354783 /nfs/dbraw/zinc/35/47/83/411354783.db2.gz BLJMQCMEGWRCJS-BMQDGWLCSA-N 1 0 225.357 2.478 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1cccc(F)c1F ZINC000658352741 411354923 /nfs/dbraw/zinc/35/49/23/411354923.db2.gz AFXSDFWGRYNOBI-IDKOKCKLSA-N 1 0 241.281 2.386 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CC1CC=CC1 ZINC000659871024 411355733 /nfs/dbraw/zinc/35/57/33/411355733.db2.gz LEUUKBVKTRBLSK-CYBMUJFWSA-N 1 0 209.333 2.190 10 0 BEAERO OCC1CC([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000658352826 411356317 /nfs/dbraw/zinc/35/63/17/411356317.db2.gz BDQFEKLDBHCEPW-AKUTZHFWSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@]1(C)CO ZINC000662143038 411366798 /nfs/dbraw/zinc/36/67/98/411366798.db2.gz MSWQXDVVFOGSHA-IVMMDQJWSA-N 1 0 245.366 2.277 10 0 BEAERO CC1(C)C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300358534 167986506 /nfs/dbraw/zinc/98/65/06/167986506.db2.gz ICTSTSZCNKMTSM-WRWGMCAJSA-N 1 0 223.360 2.436 10 0 BEAERO CC1(C)C[C@@H]2Nc3ccccc3[C@@H]2C[NH2+]1 ZINC000075602847 167990975 /nfs/dbraw/zinc/99/09/75/167990975.db2.gz SWEWAUIVBNEOOD-JQWIXIFHSA-N 1 0 202.301 2.336 10 0 BEAERO CC(C)(C)OC(=O)NCCC1(C)CC[NH2+]CC1 ZINC000261508529 168018783 /nfs/dbraw/zinc/01/87/83/168018783.db2.gz UGOQNFYPKRMYGN-UHFFFAOYSA-N 1 0 242.363 2.291 10 0 BEAERO CC1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000108941424 168036370 /nfs/dbraw/zinc/03/63/70/168036370.db2.gz JGUZERQGWHBIFR-RYUDHWBXSA-N 1 0 238.375 2.200 10 0 BEAERO CC1(C[C@H]([NH3+])c2ccccc2Cl)OCCO1 ZINC000041285748 168051691 /nfs/dbraw/zinc/05/16/91/168051691.db2.gz RUCQYUZHQOXSRP-NSHDSACASA-N 1 0 241.718 2.493 10 0 BEAERO CC1(NC(=O)C2(C[NH3+])CCCC2)CCCCC1 ZINC000045046224 168055671 /nfs/dbraw/zinc/05/56/71/168055671.db2.gz LLDFGERXEFZHON-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO CC1([NH2+]Cc2ncccn2)CCCCC1 ZINC000054459680 168064532 /nfs/dbraw/zinc/06/45/32/168064532.db2.gz HOBHQTMZAQHSEM-UHFFFAOYSA-N 1 0 205.305 2.289 10 0 BEAERO CC1(O)C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC000038343370 168069787 /nfs/dbraw/zinc/06/97/87/168069787.db2.gz RAUIKOGZGAKGTQ-FUNVUKJBSA-N 1 0 209.333 2.164 10 0 BEAERO CC1=CC[C@H]([C@@H](C)CC[NH2+]CCO)CC1 ZINC000049784757 168121556 /nfs/dbraw/zinc/12/15/56/168121556.db2.gz JFZHEYOIQJFIFK-STQMWFEESA-N 1 0 211.349 2.341 10 0 BEAERO CC1CCC(C[NH3+])(N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000019484279 168154015 /nfs/dbraw/zinc/15/40/15/168154015.db2.gz KINSKZLQYXMVOZ-CEUNDQEZSA-N 1 0 240.391 2.003 10 0 BEAERO CC1CCC(CN)([N@H+](C)[C@H]2CCSC2)CC1 ZINC000037174630 168154253 /nfs/dbraw/zinc/15/42/53/168154253.db2.gz BCVAKCFPTMGDAH-CPCZMJQVSA-N 1 0 242.432 2.331 10 0 BEAERO CC1CCC(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055086445 168160998 /nfs/dbraw/zinc/16/09/98/168160998.db2.gz LPIXFMCJRYWHGT-TUUUFIMRSA-N 1 0 238.375 2.199 10 0 BEAERO CC1CCC([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000037969697 168162532 /nfs/dbraw/zinc/16/25/32/168162532.db2.gz NNSDPNWDDZKKKM-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO CC1CCN(C(=O)CC2CCC([NH3+])CC2)CC1 ZINC000055122806 168170724 /nfs/dbraw/zinc/17/07/24/168170724.db2.gz BHLPNEHSKUQEAT-UHFFFAOYSA-N 1 0 238.375 2.153 10 0 BEAERO CC1CCN(C(=O)[C@@H]2[C@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055122825 168175605 /nfs/dbraw/zinc/17/56/05/168175605.db2.gz IYKSLCFTGBMFPT-FRRDWIJNSA-N 1 0 238.375 2.008 10 0 BEAERO CC1CCN(C(=O)[C@H]2[C@@H](C)CCC[C@@H]2[NH3+])CC1 ZINC000055122828 168176090 /nfs/dbraw/zinc/17/60/90/168176090.db2.gz IYKSLCFTGBMFPT-AVGNSLFASA-N 1 0 238.375 2.008 10 0 BEAERO CC1CC[NH+](C[C@H]2Cc3ccccc3CN2)CC1 ZINC000020071369 168183435 /nfs/dbraw/zinc/18/34/35/168183435.db2.gz HHAVCTUHNPJJKM-MRXNPFEDSA-N 1 0 244.382 2.433 10 0 BEAERO CC1CC[NH+](C[C@@H](O)c2ccc(N)cc2)CC1 ZINC000019731416 168183472 /nfs/dbraw/zinc/18/34/72/168183472.db2.gz AUQVHPONLARPPG-CQSZACIVSA-N 1 0 234.343 2.034 10 0 BEAERO CC1CC[NH+]([C@@H]2COc3ccccc3[C@@H]2O)CC1 ZINC000044114834 168185645 /nfs/dbraw/zinc/18/56/45/168185645.db2.gz GEBPLKJJNJTQIB-HIFRSBDPSA-N 1 0 247.338 2.213 10 0 BEAERO CC1CC[NH+]([C@@H]2COc3ccccc3[C@H]2O)CC1 ZINC000044114840 168186158 /nfs/dbraw/zinc/18/61/58/168186158.db2.gz GEBPLKJJNJTQIB-UKRRQHHQSA-N 1 0 247.338 2.213 10 0 BEAERO C[C@H]([NH3+])[C@H](c1ccco1)N1CCC(C)CC1 ZINC000043334295 168186339 /nfs/dbraw/zinc/18/63/39/168186339.db2.gz QVIUFXGLGQAOBF-WCQYABFASA-N 1 0 222.332 2.400 10 0 BEAERO CC1CC[NH+]([C@H]2C[C@H](C)CC[C@@H]2N)CC1 ZINC000023069624 168187676 /nfs/dbraw/zinc/18/76/76/168187676.db2.gz VNHAAJAJYUQMII-AGIUHOORSA-N 1 0 210.365 2.234 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000310793385 168198279 /nfs/dbraw/zinc/19/82/79/168198279.db2.gz FACZJHXJFARHKW-CQSZACIVSA-N 1 0 249.358 2.316 10 0 BEAERO CCC(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000035635213 168247273 /nfs/dbraw/zinc/24/72/73/168247273.db2.gz IOEDAKQMQOFZOI-VIFPVBQESA-N 1 0 206.289 2.316 10 0 BEAERO C[C@H]1C[C@H](C[NH3+])CN1c1nccc2ccccc21 ZINC000216238067 411384564 /nfs/dbraw/zinc/38/45/64/411384564.db2.gz DWAAZSAOXAGESW-NWDGAFQWSA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1nccc2ccccc21 ZINC000216238108 411384758 /nfs/dbraw/zinc/38/47/58/411384758.db2.gz DWAAZSAOXAGESW-NEPJUHHUSA-N 1 0 241.338 2.408 10 0 BEAERO CCC(C)(C)C1CCC2(CC1)[NH2+]CCNC2=O ZINC000051924673 168270538 /nfs/dbraw/zinc/27/05/38/168270538.db2.gz SHGDIZOVVSENMF-UHFFFAOYSA-N 1 0 238.375 2.071 10 0 BEAERO CCC(C)(C)CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336783213 168278374 /nfs/dbraw/zinc/27/83/74/168278374.db2.gz ZSTAAVBKYKOVJD-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339506392 168295347 /nfs/dbraw/zinc/29/53/47/168295347.db2.gz IIDMEENMOVHNKT-NSHDSACASA-N 1 0 240.391 2.458 10 0 BEAERO CCC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000019476216 168295693 /nfs/dbraw/zinc/29/56/93/168295693.db2.gz UZZZADIWCWVLEJ-ZDUSSCGKSA-N 1 0 246.354 2.006 10 0 BEAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C(C)C ZINC000336776047 168302175 /nfs/dbraw/zinc/30/21/75/168302175.db2.gz DOBYLJDQUYOTNN-GHMZBOCLSA-N 1 0 228.380 2.314 10 0 BEAERO CCC(C)(C)c1ccc(OC[C@H](O)C[NH3+])cc1 ZINC000008028947 168305391 /nfs/dbraw/zinc/30/53/91/168305391.db2.gz FLSQONWNZKLDFO-GFCCVEGCSA-N 1 0 237.343 2.073 10 0 BEAERO CCC(C)(C)c1nc([C@](C)([NH3+])CC)no1 ZINC000054404369 168306616 /nfs/dbraw/zinc/30/66/16/168306616.db2.gz QVXKDIJSKKRKIT-LLVKDONJSA-N 1 0 211.309 2.341 10 0 BEAERO C[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C[C@H]1C ZINC000129821358 411394920 /nfs/dbraw/zinc/39/49/20/411394920.db2.gz HPIANNWRFYSCKP-ZFDZMSFRSA-N 1 0 238.375 2.008 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659341017 411399958 /nfs/dbraw/zinc/39/99/58/411399958.db2.gz YGMYGHIRGSLLEP-NEPJUHHUSA-N 1 0 240.391 2.317 10 0 BEAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)C1CCCC1 ZINC000070307576 411401814 /nfs/dbraw/zinc/40/18/14/411401814.db2.gz LEFMPTHQCONEAI-QFWMXSHPSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)CC1(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000659384292 411408717 /nfs/dbraw/zinc/40/87/17/411408717.db2.gz WDZFBHWLXMIMOV-RYUDHWBXSA-N 1 0 238.375 2.056 10 0 BEAERO CC[N@@H+]1CCCOC[C@H]1c1ccc(N)cc1 ZINC000616648953 411410968 /nfs/dbraw/zinc/41/09/68/411410968.db2.gz HWULXWYOWBWEDF-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc(N)c2)C1 ZINC000616644235 411411306 /nfs/dbraw/zinc/41/13/06/411411306.db2.gz ACOFWYTYUQXRSE-CYBMUJFWSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cnco2)CC1 ZINC000616687281 411414942 /nfs/dbraw/zinc/41/49/42/411414942.db2.gz RUJIHGVXBXKRIW-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO C[C@H](CC1CCCC1)[NH2+]C1CC(CO)C1 ZINC000658357574 411418905 /nfs/dbraw/zinc/41/89/05/411418905.db2.gz VYPXLRAOFLMEAN-QFWMXSHPSA-N 1 0 211.349 2.316 10 0 BEAERO CCN(C[C@@H](C)C[NH3+])c1cnc2ccccc2n1 ZINC000052017352 169879537 /nfs/dbraw/zinc/87/95/37/169879537.db2.gz FPJZHCOVTJLJPT-NSHDSACASA-N 1 0 244.342 2.051 10 0 BEAERO Cc1cc(C(C)C)nc(NC2CC[NH+](C)CC2)n1 ZINC000122362934 411430105 /nfs/dbraw/zinc/43/01/05/411430105.db2.gz HYZSDVRQWCHQCK-UHFFFAOYSA-N 1 0 248.374 2.415 10 0 BEAERO CCc1noc(C[NH2+]C2(C3CCC3)CCC2)n1 ZINC000657260736 411432583 /nfs/dbraw/zinc/43/25/83/411432583.db2.gz QMACADHQVCVYRM-UHFFFAOYSA-N 1 0 235.331 2.444 10 0 BEAERO C[NH2+]C[C@H]1CCCN1c1nc(C)cc(C(C)C)n1 ZINC000122607360 411433968 /nfs/dbraw/zinc/43/39/68/411433968.db2.gz LTCAGIMSECVMBE-GFCCVEGCSA-N 1 0 248.374 2.097 10 0 BEAERO Cc1cc(C(C)C)nc(N2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000122608659 411434278 /nfs/dbraw/zinc/43/42/78/411434278.db2.gz ZFFYPSWPFXVEBB-RYUDHWBXSA-N 1 0 248.374 2.082 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@@H]([NH3+])C2CC2)n1 ZINC000122601110 411434657 /nfs/dbraw/zinc/43/46/57/411434657.db2.gz UABGXGPRUVIXIZ-LLVKDONJSA-N 1 0 234.347 2.058 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000122750961 411435204 /nfs/dbraw/zinc/43/52/04/411435204.db2.gz CFCUGGXBOUYFHX-UWVGGRQHSA-N 1 0 236.363 2.446 10 0 BEAERO CC[C@H]1CN(c2nc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000122967562 411437864 /nfs/dbraw/zinc/43/78/64/411437864.db2.gz YOPVQPKSZDFJPS-QWRGUYRKSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@H]1CCCCCN1C(=O)C1CCC([NH3+])CC1 ZINC000070409632 411441015 /nfs/dbraw/zinc/44/10/15/411441015.db2.gz GAVNESNTIGFTGB-HIFPTAJRSA-N 1 0 238.375 2.295 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1CCCCC1 ZINC000128905244 411445870 /nfs/dbraw/zinc/44/58/70/411445870.db2.gz HLRHYPUYJJLIJR-LBPRGKRZSA-N 1 0 226.364 2.056 10 0 BEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000406069813 411450380 /nfs/dbraw/zinc/45/03/80/411450380.db2.gz QVCWCLKBVHVKHN-PWSUYJOCSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)C[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000307847545 411486676 /nfs/dbraw/zinc/48/66/76/411486676.db2.gz VIBDQVXLFWBYHW-OLZOCXBDSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)C[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000307847544 411487156 /nfs/dbraw/zinc/48/71/56/411487156.db2.gz VIBDQVXLFWBYHW-CHWSQXEVSA-N 1 0 240.391 2.254 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2C2CC2)C1 ZINC000659878954 411488086 /nfs/dbraw/zinc/48/80/86/411488086.db2.gz SOQGJALYPGXHKG-MRVWCRGKSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]2C2CC2)C1 ZINC000659878951 411488457 /nfs/dbraw/zinc/48/84/57/411488457.db2.gz SOQGJALYPGXHKG-BNOWGMLFSA-N 1 0 223.360 2.412 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CC=CC1 ZINC000659929524 411501861 /nfs/dbraw/zinc/50/18/61/411501861.db2.gz SIFJRWAOQCATFV-OCCSQVGLSA-N 1 0 220.360 2.121 10 0 BEAERO CC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCC1 ZINC000659941242 411504676 /nfs/dbraw/zinc/50/46/76/411504676.db2.gz WRZULOJTSAJPBQ-AAEUAGOBSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000660000590 411526594 /nfs/dbraw/zinc/52/65/94/411526594.db2.gz YLTVOFNDYNWLEX-XQHKEYJVSA-N 1 0 211.349 2.410 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2cccc(F)c2N)C1 ZINC000037643876 170009463 /nfs/dbraw/zinc/00/94/63/170009463.db2.gz NKIDBSFDOGHFBK-JTQLQIEISA-N 1 0 237.322 2.162 10 0 BEAERO CC[N@@H+]1CC[C@@H](CNc2ccc(C)cn2)C1 ZINC000037484456 170010727 /nfs/dbraw/zinc/01/07/27/170010727.db2.gz ZRFJKGDAKKMZRX-LBPRGKRZSA-N 1 0 219.332 2.144 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000069799655 170011045 /nfs/dbraw/zinc/01/10/45/170011045.db2.gz DRLRFWDAPVSVSX-NEPJUHHUSA-N 1 0 226.270 2.059 10 0 BEAERO CCN1CC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000328456098 170012538 /nfs/dbraw/zinc/01/25/38/170012538.db2.gz FJINDQGTOJFRAX-UKRRQHHQSA-N 1 0 232.371 2.474 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000336898081 170014818 /nfs/dbraw/zinc/01/48/18/170014818.db2.gz QDLXIEQRYWVHOJ-GXTWGEPZSA-N 1 0 248.370 2.440 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2nc(C)cs2)C1 ZINC000037484453 170017459 /nfs/dbraw/zinc/01/74/59/170017459.db2.gz MPNBJXABBMZKGG-SNVBAGLBSA-N 1 0 225.361 2.205 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000328380141 170021868 /nfs/dbraw/zinc/02/18/68/170021868.db2.gz VAZMPTJXRHWWDL-WCQYABFASA-N 1 0 234.343 2.341 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000328526654 170022018 /nfs/dbraw/zinc/02/20/18/170022018.db2.gz URFXFEJOHVXOQK-RFQIPJPRSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CCc2c1ccc(C[C@@H](C)[NH3+])c2C ZINC000029212318 170023478 /nfs/dbraw/zinc/02/34/78/170023478.db2.gz AAONCJIIKCSWIL-SNVBAGLBSA-N 1 0 218.344 2.267 10 0 BEAERO CCN1CCc2c1ccc(C[C@H](C)[NH3+])c2C ZINC000029212323 170023953 /nfs/dbraw/zinc/02/39/53/170023953.db2.gz AAONCJIIKCSWIL-JTQLQIEISA-N 1 0 218.344 2.267 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000309065261 170029574 /nfs/dbraw/zinc/02/95/74/170029574.db2.gz YYBZOSXJDPEVFO-PWSUYJOCSA-N 1 0 224.373 2.178 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777155 170030397 /nfs/dbraw/zinc/03/03/97/170030397.db2.gz HOFINXAYNWHHNV-NEPJUHHUSA-N 1 0 242.432 2.202 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000306333732 170030682 /nfs/dbraw/zinc/03/06/82/170030682.db2.gz DWPFYBUIICESKD-OCCSQVGLSA-N 1 0 218.344 2.116 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2sccc2C)C1 ZINC000309674588 170030920 /nfs/dbraw/zinc/03/09/20/170030920.db2.gz XGWXXPUGQIRWHZ-NEPJUHHUSA-N 1 0 238.400 2.486 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2sccc2C)C1 ZINC000309674591 170031292 /nfs/dbraw/zinc/03/12/92/170031292.db2.gz XGWXXPUGQIRWHZ-VXGBXAGGSA-N 1 0 238.400 2.486 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC000309897294 170031406 /nfs/dbraw/zinc/03/14/06/170031406.db2.gz GIYHLHVRSARQJU-TZMCWYRMSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@H]([NH2+]CC2(C)CCC2)[C@@H](C)C1 ZINC000336761688 170035350 /nfs/dbraw/zinc/03/53/50/170035350.db2.gz NBAPERNKSXZUFC-RYUDHWBXSA-N 1 0 210.365 2.106 10 0 BEAERO CCN1C[C@H]([NH2+]CC2(C)CCCC2)[C@@H](C)C1 ZINC000336779497 170035972 /nfs/dbraw/zinc/03/59/72/170035972.db2.gz OMEJVAWPHZYCAS-STQMWFEESA-N 1 0 224.392 2.497 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034842 170037061 /nfs/dbraw/zinc/03/70/61/170037061.db2.gz HOFOMBIJFSYNPG-NWDGAFQWSA-N 1 0 212.381 2.352 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H]2CCC2(C)C)[C@@H](C)C1 ZINC000309061765 170037176 /nfs/dbraw/zinc/03/71/76/170037176.db2.gz XDESWJGQIHIEBE-SDDRHHMPSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H]([NH2+]Cc2sccc2C)[C@@H](C)C1 ZINC000309674590 170037361 /nfs/dbraw/zinc/03/73/61/170037361.db2.gz XGWXXPUGQIRWHZ-RYUDHWBXSA-N 1 0 238.400 2.486 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000309066131 170038677 /nfs/dbraw/zinc/03/86/77/170038677.db2.gz ZNKRKHLHGCFOGM-GMXVVIOVSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000309034593 170038883 /nfs/dbraw/zinc/03/88/83/170038883.db2.gz HJHCUHJFXFDRSM-RWMBFGLXSA-N 1 0 212.381 2.351 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000336763986 170039705 /nfs/dbraw/zinc/03/97/05/170039705.db2.gz PMFJRTVGBCFJQA-YVECIDJPSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000309061764 170039756 /nfs/dbraw/zinc/03/97/56/170039756.db2.gz XDESWJGQIHIEBE-QJPTWQEYSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000336778429 170039826 /nfs/dbraw/zinc/03/98/26/170039826.db2.gz LIMOKJHHXAGNLE-YNEHKIRRSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000336779667 170040009 /nfs/dbraw/zinc/04/00/09/170040009.db2.gz PCTCJRBLXIDJPX-ZOBORPQBSA-N 1 0 224.392 2.495 10 0 BEAERO CCNC(=O)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000051759121 170052890 /nfs/dbraw/zinc/05/28/90/170052890.db2.gz SLSHTNHQDXEXNW-ZDUSSCGKSA-N 1 0 248.370 2.124 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000035138922 170064867 /nfs/dbraw/zinc/06/48/67/170064867.db2.gz SOIFBFXEYZXGCO-LBPRGKRZSA-N 1 0 234.343 2.090 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000036780428 170064931 /nfs/dbraw/zinc/06/49/31/170064931.db2.gz MSESWIDICVPPRX-LBPRGKRZSA-N 1 0 234.343 2.090 10 0 BEAERO CCNC(=O)C[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000057537309 170069145 /nfs/dbraw/zinc/06/91/45/170069145.db2.gz JAAWOZRNQZJZLU-AWEZNQCLSA-N 1 0 248.370 2.379 10 0 BEAERO CCNC(=O)C[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000057537310 170070487 /nfs/dbraw/zinc/07/04/87/170070487.db2.gz JAAWOZRNQZJZLU-CQSZACIVSA-N 1 0 248.370 2.379 10 0 BEAERO CCNC(=O)[C@@H](CCC[NH3+])C1CCCCC1 ZINC000076612325 170090257 /nfs/dbraw/zinc/09/02/57/170090257.db2.gz DKRVLGMEFQNLFR-LBPRGKRZSA-N 1 0 226.364 2.058 10 0 BEAERO Cc1nc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH]c1C ZINC000657500485 411538243 /nfs/dbraw/zinc/53/82/43/411538243.db2.gz OOERQWWXPLRGPJ-QJPTWQEYSA-N 1 0 219.332 2.305 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NC1CCC(C)CC1 ZINC000061287871 170107079 /nfs/dbraw/zinc/10/70/79/170107079.db2.gz WULCQOUVWVRHEW-UHFFFAOYSA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(OC)c1 ZINC000061287786 170107211 /nfs/dbraw/zinc/10/72/11/170107211.db2.gz RECAIWSVFNZNAN-UHFFFAOYSA-N 1 0 236.315 2.022 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000061288888 170107305 /nfs/dbraw/zinc/10/73/05/170107305.db2.gz OIUNXRIIPJWFMC-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]C(C)(C)CN1CCC(C)(C)CC1 ZINC000061822608 170107338 /nfs/dbraw/zinc/10/73/38/170107338.db2.gz DCIZKFQZTOYTNM-UHFFFAOYSA-N 1 0 212.381 2.497 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1c(F)cccc1F ZINC000061288525 170107633 /nfs/dbraw/zinc/10/76/33/170107633.db2.gz OTGXELJQPPWYAR-UHFFFAOYSA-N 1 0 242.269 2.291 10 0 BEAERO CC[NH2+]C1(c2nc(C)c(C)s2)CCOCC1 ZINC000041061128 170108253 /nfs/dbraw/zinc/10/82/53/170108253.db2.gz ZDXTWXIVQWSMNY-UHFFFAOYSA-N 1 0 240.372 2.375 10 0 BEAERO CC[NH2+]CC1(c2ccc(OC)cc2)CCOCC1 ZINC000053738505 170110947 /nfs/dbraw/zinc/11/09/47/170110947.db2.gz VRASWBULTZIUDC-UHFFFAOYSA-N 1 0 249.354 2.353 10 0 BEAERO CC[NH2+]CCC(=O)c1ccc(CC)cc1 ZINC000049813215 170111528 /nfs/dbraw/zinc/11/15/28/170111528.db2.gz UXRSUARFXGBEEB-UHFFFAOYSA-N 1 0 205.301 2.431 10 0 BEAERO CC[NH2+]CCC(=O)c1cc(C)ccc1OC ZINC000049818362 170111901 /nfs/dbraw/zinc/11/19/01/170111901.db2.gz LWNPFRDDNBVWAZ-UHFFFAOYSA-N 1 0 221.300 2.186 10 0 BEAERO CC[NH2+]CCC(=O)N[C@H](C)c1cccc(F)c1 ZINC000061298558 170112031 /nfs/dbraw/zinc/11/20/31/170112031.db2.gz QTRMMLANZYQFSS-SNVBAGLBSA-N 1 0 238.306 2.003 10 0 BEAERO CC[NH2+]CCC(=O)N[C@@H](CC)C1CCCCC1 ZINC000061299471 170112115 /nfs/dbraw/zinc/11/21/15/170112115.db2.gz GMONHUITHRZASX-ZDUSSCGKSA-N 1 0 240.391 2.461 10 0 BEAERO CC[NH2+]CCCOc1ccc(F)c(F)c1 ZINC000036750139 170112717 /nfs/dbraw/zinc/11/27/17/170112717.db2.gz TULMOKUTPKFGJZ-UHFFFAOYSA-N 1 0 215.243 2.343 10 0 BEAERO CC[NH2+]CCCCc1ccc2c(c1)OCO2 ZINC000098124661 170112765 /nfs/dbraw/zinc/11/27/65/170112765.db2.gz OCZIJKWZQUXDAZ-UHFFFAOYSA-N 1 0 221.300 2.348 10 0 BEAERO CC[NH2+]CCCNc1ncccc1Cl ZINC000038043382 170112881 /nfs/dbraw/zinc/11/28/81/170112881.db2.gz AFGOHDIJHRVMSZ-UHFFFAOYSA-N 1 0 213.712 2.147 10 0 BEAERO CC[NH2+]CCCNc1ccc(Cl)cn1 ZINC000038043486 170113084 /nfs/dbraw/zinc/11/30/84/170113084.db2.gz CCHYAGOKWYARAL-UHFFFAOYSA-N 1 0 213.712 2.147 10 0 BEAERO CC[NH2+]CCC[C@H](C)n1nnc2ccccc21 ZINC000052576670 170113682 /nfs/dbraw/zinc/11/36/82/170113682.db2.gz ILJFJGOWHVPDFP-NSHDSACASA-N 1 0 232.331 2.382 10 0 BEAERO CC[NH2+]CCN(C)c1ncccc1C(F)(F)F ZINC000053704850 170113787 /nfs/dbraw/zinc/11/37/87/170113787.db2.gz OFNVHSPOXIDNRP-UHFFFAOYSA-N 1 0 247.264 2.146 10 0 BEAERO CC[NH2+]CCSc1nc2ccccc2[nH]1 ZINC000042408791 170116437 /nfs/dbraw/zinc/11/64/37/170116437.db2.gz JIJNDGAPVYMLDD-UHFFFAOYSA-N 1 0 221.329 2.265 10 0 BEAERO CC[NH2+]CCSc1nc(C)cs1 ZINC000042408933 170116760 /nfs/dbraw/zinc/11/67/60/170116760.db2.gz CZRLOLFTNYHNER-UHFFFAOYSA-N 1 0 202.348 2.153 10 0 BEAERO CC[NH2+]CC[C@@H](O)c1ccc(OC)c(Cl)c1 ZINC000049831579 170117279 /nfs/dbraw/zinc/11/72/79/170117279.db2.gz NRTHZIDXVRNTOE-LLVKDONJSA-N 1 0 243.734 2.382 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000061268120 170118205 /nfs/dbraw/zinc/11/82/05/170118205.db2.gz HXKYXOKMXLARBP-GFCCVEGCSA-N 1 0 234.343 2.203 10 0 BEAERO CC[NH2+]C[C@@H](C)n1nc(C)c(Cl)c1C ZINC000052573999 170119020 /nfs/dbraw/zinc/11/90/20/170119020.db2.gz IGXHSGVNMCXMDQ-SSDOTTSWSA-N 1 0 215.728 2.324 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)NC1CCCCCCC1 ZINC000061227527 170119185 /nfs/dbraw/zinc/11/91/85/170119185.db2.gz ZFIBCEAOFLWWQJ-GFCCVEGCSA-N 1 0 240.391 2.461 10 0 BEAERO CC[NH2+]C[C@@H](O)Cc1ccc(C(C)C)cc1 ZINC000071523492 170119399 /nfs/dbraw/zinc/11/93/99/170119399.db2.gz JRTQUJFYWQGOIS-AWEZNQCLSA-N 1 0 221.344 2.323 10 0 BEAERO CC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000002032567 170120365 /nfs/dbraw/zinc/12/03/65/170120365.db2.gz YTKDUDMDCXIKLL-SNVBAGLBSA-N 1 0 233.233 2.348 10 0 BEAERO CC[NH2+]C[C@@H]1CCCN1c1ncccc1Cl ZINC000053696596 170120430 /nfs/dbraw/zinc/12/04/30/170120430.db2.gz XQVSYWRHROPSMJ-JTQLQIEISA-N 1 0 239.750 2.313 10 0 BEAERO CC[NH2+]C[C@@](O)(CC)c1ccc(F)cc1 ZINC000032012552 170120718 /nfs/dbraw/zinc/12/07/18/170120718.db2.gz AIZUMNAESPVQLQ-LBPRGKRZSA-N 1 0 211.280 2.033 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000054590664 170120828 /nfs/dbraw/zinc/12/08/28/170120828.db2.gz RCMBTSIYOUUEMW-WCQYABFASA-N 1 0 205.301 2.408 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000061267676 170120915 /nfs/dbraw/zinc/12/09/15/170120915.db2.gz PPWWZCYSJXLCOV-AVGNSLFASA-N 1 0 240.391 2.269 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000054590735 170121247 /nfs/dbraw/zinc/12/12/47/170121247.db2.gz DUMOWBXPKSOZKH-SMDDNHRTSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@H](C)CN(C)c1cccc(OC)c1 ZINC000060457984 170121873 /nfs/dbraw/zinc/12/18/73/170121873.db2.gz HWFDMTOVYJPDIG-LBPRGKRZSA-N 1 0 236.359 2.377 10 0 BEAERO CC[NH2+]C[C@H](C)c1nc(-c2cc(C)ccn2)no1 ZINC000104412600 170121968 /nfs/dbraw/zinc/12/19/68/170121968.db2.gz OAOVZKWDJPJFJP-JTQLQIEISA-N 1 0 246.314 2.153 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000032014595 170122406 /nfs/dbraw/zinc/12/24/06/170122406.db2.gz NZVJYBSLYMQBLK-ZDUSSCGKSA-N 1 0 223.316 2.117 10 0 BEAERO CC[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000020123135 170122487 /nfs/dbraw/zinc/12/24/87/170122487.db2.gz YNMHECKJNQAQGD-LLVKDONJSA-N 1 0 208.305 2.026 10 0 BEAERO CC[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000032014601 170122634 /nfs/dbraw/zinc/12/26/34/170122634.db2.gz JEVBVBNDNDPCGB-ZDUSSCGKSA-N 1 0 223.316 2.117 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(C(C)C)cc1OC ZINC000071548366 170122804 /nfs/dbraw/zinc/12/28/04/170122804.db2.gz YJCBRNNVSNWCAC-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+]C[C@H]1CCCN1Cc1ccccc1F ZINC000053648416 170122839 /nfs/dbraw/zinc/12/28/39/170122839.db2.gz WUIUDBIEZLPLBH-CYBMUJFWSA-N 1 0 236.334 2.400 10 0 BEAERO CC[NH2+]C[C@H]1C[C@]1(C)c1ccc2c(c1)OCCO2 ZINC000054591232 170123234 /nfs/dbraw/zinc/12/32/34/170123234.db2.gz RFBQESDDOUTGCX-IUODEOHRSA-N 1 0 247.338 2.345 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1cc(C)ccc1C ZINC000032011830 170123407 /nfs/dbraw/zinc/12/34/07/170123407.db2.gz KBZOBMWEDYSNNO-ZDUSSCGKSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000054590811 170123477 /nfs/dbraw/zinc/12/34/77/170123477.db2.gz VOQBCYRCVDAJMH-NEPJUHHUSA-N 1 0 233.311 2.171 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000054590722 170123746 /nfs/dbraw/zinc/12/37/46/170123746.db2.gz KJTPMRYJQWZRNU-PWSUYJOCSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]Cc1c(N(CC)CC)nc2ccccn21 ZINC000035433879 170124041 /nfs/dbraw/zinc/12/40/41/170124041.db2.gz UJAGNYKKHGGOAC-UHFFFAOYSA-N 1 0 246.358 2.290 10 0 BEAERO CC[NH2+]Cc1c(C)nn(C(F)F)c1C ZINC000040544396 170124745 /nfs/dbraw/zinc/12/47/45/170124745.db2.gz ZRAJMAVCZFOHME-UHFFFAOYSA-N 1 0 203.236 2.005 10 0 BEAERO CC[NH2+]Cc1cnc(-c2ccc(F)c(F)c2)[nH]1 ZINC000062821063 170124788 /nfs/dbraw/zinc/12/47/88/170124788.db2.gz DHJYLQOHTSZWRD-UHFFFAOYSA-N 1 0 237.253 2.464 10 0 BEAERO CC[NH2+]Cc1cc(-c2ccccc2C)n[nH]1 ZINC000050479046 170124876 /nfs/dbraw/zinc/12/48/76/170124876.db2.gz BRGMGBADMRQESI-UHFFFAOYSA-N 1 0 215.300 2.495 10 0 BEAERO CC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000036804262 170125165 /nfs/dbraw/zinc/12/51/65/170125165.db2.gz MGUWDMKELPURJA-UHFFFAOYSA-N 1 0 213.664 2.178 10 0 BEAERO CC[NH2+]Cc1ccc(-c2cncnc2)cc1 ZINC000052886597 170126363 /nfs/dbraw/zinc/12/63/63/170126363.db2.gz SAMGKKZCUSZKSL-UHFFFAOYSA-N 1 0 213.284 2.253 10 0 BEAERO CC[NH2+]Cc1cc2ccccc2c(N(C)C)n1 ZINC000051436758 170126607 /nfs/dbraw/zinc/12/66/07/170126607.db2.gz HLMUJMPDRXJJDF-UHFFFAOYSA-N 1 0 229.327 2.410 10 0 BEAERO CC[NH2+]Cc1ccc(Oc2ccc(C)nc2)nn1 ZINC000051522017 170127423 /nfs/dbraw/zinc/12/74/23/170127423.db2.gz LPQDELKWPIYIBC-UHFFFAOYSA-N 1 0 244.298 2.082 10 0 BEAERO CC[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000038073098 170128328 /nfs/dbraw/zinc/12/83/28/170128328.db2.gz ZQFKMVQZBZZLNG-UHFFFAOYSA-N 1 0 215.300 2.197 10 0 BEAERO CC[NH2+]Cc1ccccc1N(C)[C@@H](C)COC ZINC000042519053 170128418 /nfs/dbraw/zinc/12/84/18/170128418.db2.gz FWHKJAUIVWUKTN-LBPRGKRZSA-N 1 0 236.359 2.267 10 0 BEAERO CC[NH2+]Cc1cccc(OCc2ncccn2)c1 ZINC000054458343 170128539 /nfs/dbraw/zinc/12/85/39/170128539.db2.gz QAPULNIRIPZLQF-UHFFFAOYSA-N 1 0 243.310 2.165 10 0 BEAERO CC[NH2+]Cc1cccc(Cn2ccnc2C)c1 ZINC000052576060 170128568 /nfs/dbraw/zinc/12/85/68/170128568.db2.gz LZYVOGYAFNYUDR-UHFFFAOYSA-N 1 0 229.327 2.349 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)C(C)C ZINC000036281595 170129544 /nfs/dbraw/zinc/12/95/44/170129544.db2.gz ASVVQVLAOVCEOU-UHFFFAOYSA-N 1 0 220.316 2.391 10 0 BEAERO CC[NH2+]Cc1csc(CSC)n1 ZINC000054497030 170129853 /nfs/dbraw/zinc/12/98/53/170129853.db2.gz SYPFVBUZJVPUCP-UHFFFAOYSA-N 1 0 202.348 2.116 10 0 BEAERO CC[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000070162443 170129958 /nfs/dbraw/zinc/12/99/58/170129958.db2.gz RFZNMRKYUVLEIR-UHFFFAOYSA-N 1 0 218.304 2.122 10 0 BEAERO CC[NH2+]Cc1cnc(Cc2ccccc2F)nc1 ZINC000054855759 170130645 /nfs/dbraw/zinc/13/06/45/170130645.db2.gz IRVGMXVQCDJQTG-UHFFFAOYSA-N 1 0 245.301 2.316 10 0 BEAERO CC[NH2+]Cc1nnc(-c2ccc(F)c(F)c2)o1 ZINC000050615542 170131877 /nfs/dbraw/zinc/13/18/77/170131877.db2.gz LWNIILRDPDHHPD-UHFFFAOYSA-N 1 0 239.225 2.124 10 0 BEAERO CC[NH2+]Cc1sc(-c2cnccn2)nc1C ZINC000052330353 170132898 /nfs/dbraw/zinc/13/28/98/170132898.db2.gz AFNPACVPBUJGDT-UHFFFAOYSA-N 1 0 234.328 2.018 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nc2ccccc2[nH]1 ZINC000061181771 170140393 /nfs/dbraw/zinc/14/03/93/170140393.db2.gz AGDKJGKSHPNUHK-VIFPVBQESA-N 1 0 203.289 2.103 10 0 BEAERO CC[NH2+][C@@H](C)c1c(C)nn([C@H]2CCOC2)c1C ZINC000070072935 170140770 /nfs/dbraw/zinc/14/07/70/170140770.db2.gz QJMMAYYILKWJNQ-CABZTGNLSA-N 1 0 237.347 2.132 10 0 BEAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(OC)c(CC)c1 ZINC000071548271 170141329 /nfs/dbraw/zinc/14/13/29/170141329.db2.gz RBTRKPNXCYWGCE-HZMBPMFUSA-N 1 0 237.343 2.289 10 0 BEAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OC)c(Cl)c1 ZINC000071558203 170141432 /nfs/dbraw/zinc/14/14/32/170141432.db2.gz AQTYEZDBKAJYFV-QPUJVOFHSA-N 1 0 243.734 2.380 10 0 BEAERO CC[NH2+][C@@H](CC)c1nnc([C@@H]2CCCCO2)o1 ZINC000061512434 170143756 /nfs/dbraw/zinc/14/37/56/170143756.db2.gz DHFSBQHVOQJIEC-UWVGGRQHSA-N 1 0 239.319 2.372 10 0 BEAERO CC[NH2+][C@@H](CC)C(=O)c1ccc(OC)c(F)c1 ZINC000071549325 170143828 /nfs/dbraw/zinc/14/38/28/170143828.db2.gz PWRWDUBYEHIPPC-NSHDSACASA-N 1 0 239.290 2.405 10 0 BEAERO CC[NH2+][C@@H](CO)c1cccc2ccccc21 ZINC000038120364 170144937 /nfs/dbraw/zinc/14/49/37/170144937.db2.gz VSPYJPVJMZMLPU-AWEZNQCLSA-N 1 0 215.296 2.483 10 0 BEAERO CC[NH2+][C@@H](CO)c1ccc(OCC)c(Cl)c1 ZINC000071558385 170145402 /nfs/dbraw/zinc/14/54/02/170145402.db2.gz VWCVCBNFUXSBTP-NSHDSACASA-N 1 0 243.734 2.382 10 0 BEAERO CC[NH2+][C@@H](c1ccc(OC)cc1)c1cnccn1 ZINC000037536054 170147485 /nfs/dbraw/zinc/14/74/85/170147485.db2.gz ZRENFOFHWDHOFE-AWEZNQCLSA-N 1 0 243.310 2.184 10 0 BEAERO CC[NH2+][C@@H](c1cccnc1)c1ccc(C)nc1 ZINC000062949919 170148212 /nfs/dbraw/zinc/14/82/12/170148212.db2.gz SOFQSBCSJOFBAB-AWEZNQCLSA-N 1 0 227.311 2.484 10 0 BEAERO CC[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000037184568 170148380 /nfs/dbraw/zinc/14/83/80/170148380.db2.gz SCZDSZAYTSLZJD-JTQLQIEISA-N 1 0 221.329 2.181 10 0 BEAERO CC[NH2+][C@@H](c1sccc1C)[C@@H]1COCCO1 ZINC000055301117 170148996 /nfs/dbraw/zinc/14/89/96/170148996.db2.gz ZNHNJNGNOADPBF-WDEREUQCSA-N 1 0 241.356 2.123 10 0 BEAERO CC[NH2+][C@@H](c1nc(C)c(C)s1)[C@@H]1CCOC1 ZINC000041061108 170150123 /nfs/dbraw/zinc/15/01/23/170150123.db2.gz NWGPQXKLACXNMF-GHMZBOCLSA-N 1 0 240.372 2.447 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@@H]1c1cncc(F)c1 ZINC000060716311 170150479 /nfs/dbraw/zinc/15/04/79/170150479.db2.gz CLNVFNOYHBWSJV-VXGBXAGGSA-N 1 0 208.280 2.466 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000049577869 170151516 /nfs/dbraw/zinc/15/15/16/170151516.db2.gz HQTWDHFGRKEUAY-LLVKDONJSA-N 1 0 240.297 2.149 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCC2CCCCC2)C1=O ZINC000049648877 170151572 /nfs/dbraw/zinc/15/15/72/170151572.db2.gz ZNIIKXAUISQCTQ-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCc2ccncc2)[C@H](C)C1 ZINC000049712971 170151641 /nfs/dbraw/zinc/15/16/41/170151641.db2.gz YCCKUSVXGNFAOV-UKRRQHHQSA-N 1 0 247.386 2.087 10 0 BEAERO CC[NH2+][C@@H]1CCC[C@H]1N1CCCCCC1 ZINC000043812171 170151745 /nfs/dbraw/zinc/15/17/45/170151745.db2.gz OKOOQYQBGZMTOQ-CHWSQXEVSA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000048266201 170151774 /nfs/dbraw/zinc/15/17/74/170151774.db2.gz SSFXMLYAQCZWES-CQSZACIVSA-N 1 0 218.344 2.179 10 0 BEAERO CC[NH2+][C@@H]1CCN(C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000042821806 170152145 /nfs/dbraw/zinc/15/21/45/170152145.db2.gz RQBUQTSDNGCSJD-MCIONIFRSA-N 1 0 240.391 2.018 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCOc2cccc(C)c2)C1 ZINC000042896842 170152290 /nfs/dbraw/zinc/15/22/90/170152290.db2.gz OJLDEWXSIXOMAB-CQSZACIVSA-N 1 0 248.370 2.058 10 0 BEAERO CC[NH2+][C@@H]1COc2c1cc(C)cc2OC ZINC000035652544 170154149 /nfs/dbraw/zinc/15/41/49/170154149.db2.gz VXFMZOVWYGBFKN-SNVBAGLBSA-N 1 0 207.273 2.047 10 0 BEAERO CC[NH2+][C@@](C)(CO)c1ccc(C)cc1C ZINC000038120103 170155513 /nfs/dbraw/zinc/15/55/13/170155513.db2.gz LLFHDMWHVFWBND-ZDUSSCGKSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+][C@H](C)COc1ccccc1OCC ZINC000044050144 170157501 /nfs/dbraw/zinc/15/75/01/170157501.db2.gz FUJNKKMSTFCHNC-LLVKDONJSA-N 1 0 223.316 2.462 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc(-c2ccsc2)no1 ZINC000061213017 170158251 /nfs/dbraw/zinc/15/82/51/170158251.db2.gz GFROUXWHEOCCPI-MRVPVSSYSA-N 1 0 237.328 2.339 10 0 BEAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OC)c(CC)c1 ZINC000071548269 170158272 /nfs/dbraw/zinc/15/82/72/170158272.db2.gz RBTRKPNXCYWGCE-YGRLFVJLSA-N 1 0 237.343 2.289 10 0 BEAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1Cc1cccnc1 ZINC000104428142 170158283 /nfs/dbraw/zinc/15/82/83/170158283.db2.gz VUKMMHHWGXOPOV-HIFRSBDPSA-N 1 0 247.386 2.434 10 0 BEAERO CC[NH2+][C@H](C)Cc1nncn1C1CCCCC1 ZINC000061213837 170158507 /nfs/dbraw/zinc/15/85/07/170158507.db2.gz NFPGYJBTHVJFLD-LLVKDONJSA-N 1 0 236.363 2.324 10 0 BEAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(OC)c(Cl)c1 ZINC000071558204 170158539 /nfs/dbraw/zinc/15/85/39/170158539.db2.gz AQTYEZDBKAJYFV-PRHODGIISA-N 1 0 243.734 2.380 10 0 BEAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OC)c(Cl)c1 ZINC000071558201 170158633 /nfs/dbraw/zinc/15/86/33/170158633.db2.gz AQTYEZDBKAJYFV-PELKAZGASA-N 1 0 243.734 2.380 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2cc(C)ccc2n1C ZINC000061181842 170158719 /nfs/dbraw/zinc/15/87/19/170158719.db2.gz GVUFTBDQPMTPPU-LLVKDONJSA-N 1 0 231.343 2.422 10 0 BEAERO CC[NH2+][C@H](C)[C@H](C)N1Cc2ccccc2C1 ZINC000050911092 170158738 /nfs/dbraw/zinc/15/87/38/170158738.db2.gz HTEGOLLULDCVMC-NEPJUHHUSA-N 1 0 218.344 2.389 10 0 BEAERO CC[NH2+][C@H](C)c1c(C)nn([C@@H]2CCOC2)c1C ZINC000070072934 170159010 /nfs/dbraw/zinc/15/90/10/170159010.db2.gz QJMMAYYILKWJNQ-BXKDBHETSA-N 1 0 237.347 2.132 10 0 BEAERO CC[NH2+][C@H](C)c1ccc2c(c1)oc(=O)n2CC ZINC000051363411 170159022 /nfs/dbraw/zinc/15/90/22/170159022.db2.gz ZBAUTGQGRNPVIM-SECBINFHSA-N 1 0 234.299 2.285 10 0 BEAERO CC[NH2+][C@H](C)c1cnc(N2CCCC2)nc1C ZINC000054962917 170159836 /nfs/dbraw/zinc/15/98/36/170159836.db2.gz VKPRYNZUOGZGQL-SNVBAGLBSA-N 1 0 234.347 2.056 10 0 BEAERO CC[NH2+][C@H](C)c1nc2ccc(F)cc2n1C ZINC000062366602 170159966 /nfs/dbraw/zinc/15/99/66/170159966.db2.gz RXIRUUHAGYNVAT-MRVPVSSYSA-N 1 0 221.279 2.383 10 0 BEAERO CC[NH2+][C@H](C)c1ccccc1NC(C)=O ZINC000035643502 170160246 /nfs/dbraw/zinc/16/02/46/170160246.db2.gz RKZJFDAFARGMPO-SECBINFHSA-N 1 0 206.289 2.316 10 0 BEAERO CC[NH2+][C@H](C)c1cnc(N2CCCC2)s1 ZINC000054900007 170160431 /nfs/dbraw/zinc/16/04/31/170160431.db2.gz HSUXAEJHENMAHH-SECBINFHSA-N 1 0 225.361 2.414 10 0 BEAERO CC[NH2+][C@H](CC)c1ccc2[nH]c(=O)oc2c1 ZINC000035556516 170161450 /nfs/dbraw/zinc/16/14/50/170161450.db2.gz LMPIHRPGKRRTJT-SECBINFHSA-N 1 0 220.272 2.182 10 0 BEAERO CC[NH2+][C@H](COC)Cc1ccc(OC)c(F)c1 ZINC000060697440 170162342 /nfs/dbraw/zinc/16/23/42/170162342.db2.gz PMTXBIGRKBJJSY-NSHDSACASA-N 1 0 241.306 2.001 10 0 BEAERO CC[NH2+][C@@H](Cc1ncc[nH]1)Cc1ccc(F)cc1 ZINC000035570348 170162396 /nfs/dbraw/zinc/16/23/96/170162396.db2.gz XPDAOSYEEHALQZ-CYBMUJFWSA-N 1 0 247.317 2.312 10 0 BEAERO CC[NH2+][C@H](CO)c1cc(Cl)ccc1F ZINC000083264875 170162488 /nfs/dbraw/zinc/16/24/88/170162488.db2.gz CWIJQQMNOKFVCW-SNVBAGLBSA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+][C@H](CN)c1ccc2cc(OC)ccc2c1 ZINC000050270199 170162559 /nfs/dbraw/zinc/16/25/59/170162559.db2.gz ZOCUZKMXMQWJHZ-OAHLLOKOSA-N 1 0 244.338 2.458 10 0 BEAERO CC[NH2+][C@H](Cc1ccccc1)c1cnn(C)c1 ZINC000035556204 170162649 /nfs/dbraw/zinc/16/26/49/170162649.db2.gz ARRXIWJFRGROLX-CQSZACIVSA-N 1 0 229.327 2.313 10 0 BEAERO CC[NH2+][C@H](c1ccc(C)cc1)[C@H]1COCCO1 ZINC000055299920 170163081 /nfs/dbraw/zinc/16/30/81/170163081.db2.gz BQQSAMNZRBMDAC-ZIAGYGMSSA-N 1 0 235.327 2.061 10 0 BEAERO CC[NH2+][C@H](c1ccc(C)s1)[C@H]1COCCO1 ZINC000055299833 170163291 /nfs/dbraw/zinc/16/32/91/170163291.db2.gz YVXOFIUWMWOAIO-PWSUYJOCSA-N 1 0 241.356 2.123 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(F)cc1 ZINC000035570409 170163476 /nfs/dbraw/zinc/16/34/76/170163476.db2.gz GPTIOBLZNBSOOX-GFCCVEGCSA-N 1 0 233.290 2.442 10 0 BEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)C1CC1 ZINC000035550056 170164242 /nfs/dbraw/zinc/16/42/42/170164242.db2.gz ZPUFDLPUBKPLLP-AWEZNQCLSA-N 1 0 230.311 2.242 10 0 BEAERO CC[NH2+][C@H](c1cccc(C)c1)c1cnccn1 ZINC000037536039 170164255 /nfs/dbraw/zinc/16/42/55/170164255.db2.gz FWQDFPFYYSNVJD-CQSZACIVSA-N 1 0 227.311 2.484 10 0 BEAERO CC[NH2+][C@@H](c1cccc(C)c1)c1cncnc1 ZINC000052887185 170164718 /nfs/dbraw/zinc/16/47/18/170164718.db2.gz LGSABYZDGKIJTK-AWEZNQCLSA-N 1 0 227.311 2.484 10 0 BEAERO CC[NH2+][C@H](c1ccco1)[C@H]1CCCOC1 ZINC000062234556 170164999 /nfs/dbraw/zinc/16/49/99/170164999.db2.gz UGRFARVEKRSUDG-JQWIXIFHSA-N 1 0 209.289 2.357 10 0 BEAERO CC[NH2+][C@@H](c1nccn1C)c1sccc1C ZINC000041048668 170165071 /nfs/dbraw/zinc/16/50/71/170165071.db2.gz FJBWYHUQPABJBO-SNVBAGLBSA-N 1 0 235.356 2.489 10 0 BEAERO CC[NH2+][C@H](c1cccnc1)c1cncc(F)c1 ZINC000049576296 170165111 /nfs/dbraw/zinc/16/51/11/170165111.db2.gz BGCLBHMBCFCICB-CYBMUJFWSA-N 1 0 231.274 2.315 10 0 BEAERO CC[NH2+][C@H]1CCCOc2cc3c(cc21)OCO3 ZINC000035654440 170166412 /nfs/dbraw/zinc/16/64/12/170166412.db2.gz BHGVORYERMPAIL-JTQLQIEISA-N 1 0 235.283 2.239 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000049648536 170167635 /nfs/dbraw/zinc/16/76/35/170167635.db2.gz GHQFUGGGPYSNLC-JTQLQIEISA-N 1 0 238.718 2.055 10 0 BEAERO CC[NH2+][C@H]1CCN([C@H](C)C2CCCCC2)C1=O ZINC000052340304 170167662 /nfs/dbraw/zinc/16/76/62/170167662.db2.gz GWCOSLTZKUWRCM-YPMHNXCESA-N 1 0 238.375 2.166 10 0 BEAERO CC[NH2+][C@H]1CCN([C@H](C)c2ccccc2C)C1=O ZINC000049659971 170167684 /nfs/dbraw/zinc/16/76/84/170167684.db2.gz UZCUWDBAAICPHK-OCCSQVGLSA-N 1 0 246.354 2.266 10 0 BEAERO CC[NH2+][C@H]1CCN([C@H](C)c2cccs2)C1=O ZINC000049648758 170167730 /nfs/dbraw/zinc/16/77/30/170167730.db2.gz VZOADVKOOATAHI-ZJUUUORDSA-N 1 0 238.356 2.020 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc3c(c2)CCC3)C1 ZINC000037240858 170167846 /nfs/dbraw/zinc/16/78/46/170167846.db2.gz PMKUUJYDGKBWTN-AWEZNQCLSA-N 1 0 230.355 2.364 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(C)c(C)c2)C1 ZINC000037241787 170168055 /nfs/dbraw/zinc/16/80/55/170168055.db2.gz TWXNDZGMFPTCTN-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(CC)cc2)C1 ZINC000037241534 170168084 /nfs/dbraw/zinc/16/80/84/170168084.db2.gz VJURILOPROYNEW-ZDUSSCGKSA-N 1 0 218.344 2.437 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(F)cc(F)c2)C1 ZINC000037241984 170168205 /nfs/dbraw/zinc/16/82/05/170168205.db2.gz RLGPFXRIRKKMOK-NSHDSACASA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(C)c2)C1 ZINC000037242088 170168251 /nfs/dbraw/zinc/16/82/51/170168251.db2.gz PMQSJPUZBFPHGQ-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(F)c2C)C1 ZINC000043321303 170168254 /nfs/dbraw/zinc/16/82/54/170168254.db2.gz AINJHCRBQAIZSA-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@H]1COc2ccc(OCC)cc21 ZINC000035654096 170168534 /nfs/dbraw/zinc/16/85/34/170168534.db2.gz RZAZDTISVWETNW-NSHDSACASA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@H]1CCOC[C@H]1Cc1ccc(OC)cc1 ZINC000095091498 170168816 /nfs/dbraw/zinc/16/88/16/170168816.db2.gz UBZFEJXTFFPIFM-HIFRSBDPSA-N 1 0 249.354 2.252 10 0 BEAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)CCCOC ZINC000062031194 170169102 /nfs/dbraw/zinc/16/91/02/170169102.db2.gz DYNWJXPWLATRHL-IHRRRGAJSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+][C@](C)(C(N)=O)c1ccc2ccccc2c1 ZINC000037447671 170170586 /nfs/dbraw/zinc/17/05/86/170170586.db2.gz FEJRXROUHRGZMR-HNNXBMFYSA-N 1 0 242.322 2.150 10 0 BEAERO CC[NH2+][C@]1(C(N)=O)CCCC[C@@H]1C(C)(C)C ZINC000037869484 170170717 /nfs/dbraw/zinc/17/07/17/170170717.db2.gz YWWMFXSGEQKNIH-ZWNOBZJWSA-N 1 0 226.364 2.056 10 0 BEAERO CCNc1cc(CC)[nH+]c(N2CCCC2)n1 ZINC000050851256 170172088 /nfs/dbraw/zinc/17/20/88/170172088.db2.gz BTODSWVPMKHMMU-UHFFFAOYSA-N 1 0 220.320 2.071 10 0 BEAERO CCNc1cc(C[NH+]2CCSCC2)ccn1 ZINC000052709549 170172146 /nfs/dbraw/zinc/17/21/46/170172146.db2.gz KJPAEDVVDMLFRE-UHFFFAOYSA-N 1 0 237.372 2.062 10 0 BEAERO COC[C@H](CC[NH2+]CC1CCC(C)CC1)OC ZINC000657555670 411549841 /nfs/dbraw/zinc/54/98/41/411549841.db2.gz VNPSFCPVWRHGBD-RUXDESIVSA-N 1 0 243.391 2.454 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1cccc(Cl)c1 ZINC000041570495 170209532 /nfs/dbraw/zinc/20/95/32/170209532.db2.gz YMFIWHDGNLCBSU-UHFFFAOYSA-N 1 0 241.718 2.383 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccc(C)s1 ZINC000045686639 170209569 /nfs/dbraw/zinc/20/95/69/170209569.db2.gz KWTASKPJLTUWTF-UHFFFAOYSA-N 1 0 227.329 2.099 10 0 BEAERO CCOC(=O)CC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000037636452 170211170 /nfs/dbraw/zinc/21/11/70/170211170.db2.gz WYMJTBYLQOSKCK-GFCCVEGCSA-N 1 0 237.299 2.038 10 0 BEAERO O[C@@H]1CCC[C@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000660252734 411560347 /nfs/dbraw/zinc/56/03/47/411560347.db2.gz DJCJWOZIHMXLAF-CMPLNLGQSA-N 1 0 209.333 2.070 10 0 BEAERO CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@H]1[NH3+] ZINC000032154106 170263373 /nfs/dbraw/zinc/26/33/73/170263373.db2.gz BTKAMSWFNMGLGM-UKRRQHHQSA-N 1 0 245.322 2.165 10 0 in-vitro BEAERO CCOC(=O)c1ccccc1NC1CC[NH2+]CC1 ZINC000038040822 170300313 /nfs/dbraw/zinc/30/03/13/170300313.db2.gz VFLARFSLYBSONX-UHFFFAOYSA-N 1 0 248.326 2.027 10 0 BEAERO Cc1c(C[NH2+]CCCC2CCC2)cnn1C ZINC000657667534 411573420 /nfs/dbraw/zinc/57/34/20/411573420.db2.gz RXMNQVPKOMSPCN-UHFFFAOYSA-N 1 0 221.348 2.398 10 0 BEAERO CCOCCCC[NH2+]CCN1CCC[C@H]1CC ZINC000053343093 170369602 /nfs/dbraw/zinc/36/96/02/170369602.db2.gz XODVQBGCUKCLFS-CQSZACIVSA-N 1 0 242.407 2.267 10 0 BEAERO CCOCCC[N@@H+]1C[C@@H](CC)NC[C@H]1C(C)C ZINC000083370838 170375415 /nfs/dbraw/zinc/37/54/15/170375415.db2.gz OKGFLSABEURVJR-KGLIPLIRSA-N 1 0 242.407 2.121 10 0 BEAERO CCOCCC[NH2+]CCN1CC[C@@H](C)C[C@@H]1C ZINC000053387322 170380716 /nfs/dbraw/zinc/38/07/16/170380716.db2.gz LBXWFUNDYBTSEN-KGLIPLIRSA-N 1 0 242.407 2.123 10 0 BEAERO CCOCCC[NH2+]CCN1CCCC[C@H]1CC ZINC000053375591 170381017 /nfs/dbraw/zinc/38/10/17/170381017.db2.gz UENDMRJWNWSSEU-CQSZACIVSA-N 1 0 242.407 2.267 10 0 BEAERO CCOCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852163 170382424 /nfs/dbraw/zinc/38/24/24/170382424.db2.gz CKGDHZHXCHFPEH-CYBMUJFWSA-N 1 0 235.327 2.396 10 0 BEAERO CCOCCCn1c(C[NH2+]C)nc2ccccc21 ZINC000040163799 170385513 /nfs/dbraw/zinc/38/55/13/170385513.db2.gz RMSXXHRKRPNQDB-UHFFFAOYSA-N 1 0 247.342 2.182 10 0 BEAERO CCOCCN(CC)CC[NH2+]CCC(C)(C)C ZINC000104198011 170394676 /nfs/dbraw/zinc/39/46/76/170394676.db2.gz AANUGWKIPUMSNC-UHFFFAOYSA-N 1 0 244.423 2.371 10 0 BEAERO CCOCCN(CC)[C@H](C[NH2+]C1CC1)C(C)C ZINC000104187749 170396570 /nfs/dbraw/zinc/39/65/70/170396570.db2.gz NKHBDQVGKHREIF-CQSZACIVSA-N 1 0 242.407 2.121 10 0 BEAERO CCCc1nccnc1NCC(C)(C)[NH+](C)C ZINC000663328292 411626358 /nfs/dbraw/zinc/62/63/58/411626358.db2.gz LZGQVFNXMJQFOW-UHFFFAOYSA-N 1 0 236.363 2.181 10 0 BEAERO COc1cc(C[NH2+]C2(C3CCC3)CCC2)on1 ZINC000660778914 411627217 /nfs/dbraw/zinc/62/72/17/411627217.db2.gz NPLGEKYZKCFBRN-UHFFFAOYSA-N 1 0 236.315 2.496 10 0 BEAERO CC1CCC(C[NH2+]CCOCCF)CC1 ZINC000663340272 411630066 /nfs/dbraw/zinc/63/00/66/411630066.db2.gz BDFVJNCLEUGWDF-UHFFFAOYSA-N 1 0 217.328 2.388 10 0 BEAERO CCOCCO[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042916469 170421083 /nfs/dbraw/zinc/42/10/83/170421083.db2.gz GVGMOMIVBDICEY-GXFFZTMASA-N 1 0 241.306 2.267 10 0 BEAERO CC(C)=CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000660805582 411640856 /nfs/dbraw/zinc/64/08/56/411640856.db2.gz DCPOTOSCEKZZHA-BFHYXJOUSA-N 1 0 223.360 2.436 10 0 BEAERO CCOCC[C@H]([NH3+])c1cc(F)ccc1F ZINC000104356880 170427313 /nfs/dbraw/zinc/42/73/13/170427313.db2.gz DWMTUGRGEGKOPS-NSHDSACASA-N 1 0 215.243 2.391 10 0 BEAERO CC1=C[C@H](C)C[C@@H](C[NH2+]C2CC(CO)C2)C1 ZINC000657810723 411603103 /nfs/dbraw/zinc/60/31/03/411603103.db2.gz JETHNGZRASWYKK-WHNWWWKISA-N 1 0 223.360 2.339 10 0 BEAERO OCC1CC([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000657813352 411603681 /nfs/dbraw/zinc/60/36/81/411603681.db2.gz UMYZQZWFBUAYMW-UHFFFAOYSA-N 1 0 230.311 2.028 10 0 BEAERO CC[C@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000657812316 411603797 /nfs/dbraw/zinc/60/37/97/411603797.db2.gz HVBXTNZDRXILAB-GMKTYKIGSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCSCC1)[C@@H]1CCCO1 ZINC000657835036 411609426 /nfs/dbraw/zinc/60/94/26/411609426.db2.gz NVDDAYKNXNCCIP-SRVKXCTJSA-N 1 0 229.389 2.429 10 0 BEAERO CCO[C@H](C[NH3+])CN(CC)c1ccccc1C ZINC000062739412 170503418 /nfs/dbraw/zinc/50/34/18/170503418.db2.gz PWFVNPXASVFHNB-CYBMUJFWSA-N 1 0 236.359 2.185 10 0 BEAERO CCO[C@H](C[NH3+])CCOc1ccc(C)c(C)c1 ZINC000062741567 170503842 /nfs/dbraw/zinc/50/38/42/170503842.db2.gz HREMDEKDJJLZIG-AWEZNQCLSA-N 1 0 237.343 2.436 10 0 BEAERO CCCc1nccnc1N[C@@H]1CCC[N@H+](CC)C1 ZINC000663414660 411652114 /nfs/dbraw/zinc/65/21/14/411652114.db2.gz HWDLYYWDDDBBSE-GFCCVEGCSA-N 1 0 248.374 2.325 10 0 BEAERO CC(C)O[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000660897387 411661853 /nfs/dbraw/zinc/66/18/53/411661853.db2.gz IIRCUYVXFXJGDL-MGPQQGTHSA-N 1 0 241.375 2.037 10 0 BEAERO CCOc1ccc(NCCC[NH+](C)C)cc1 ZINC000033647147 170552661 /nfs/dbraw/zinc/55/26/61/170552661.db2.gz SPDJAEOHINYWPU-UHFFFAOYSA-N 1 0 222.332 2.449 10 0 BEAERO CCOc1ccc([C@@]2(C)C[C@H]2C[NH3+])cc1 ZINC000054587514 170562500 /nfs/dbraw/zinc/56/25/00/170562500.db2.gz LSUAAOCKSDZVER-WCQYABFASA-N 1 0 205.301 2.322 10 0 BEAERO CCOc1ccc([C@H](O)C[NH2+]C2CC2)cc1F ZINC000071549369 170564254 /nfs/dbraw/zinc/56/42/54/170564254.db2.gz HKKNDLPCIGKHRY-GFCCVEGCSA-N 1 0 239.290 2.010 10 0 BEAERO CCOc1cccc([C@H](O)[C@H]2CCCC[NH2+]2)c1 ZINC000041265927 170585566 /nfs/dbraw/zinc/58/55/66/170585566.db2.gz UOVARVDGDADZMN-KGLIPLIRSA-N 1 0 235.327 2.261 10 0 BEAERO CCOc1cccc([C@H]2C[NH2+]C[C@H](C)O2)c1 ZINC000032013918 170586233 /nfs/dbraw/zinc/58/62/33/170586233.db2.gz RZTXXHGHJMLWET-GXFFZTMASA-N 1 0 221.300 2.135 10 0 BEAERO CCOc1ccccc1CCC[NH2+]CCOC ZINC000041278882 170591103 /nfs/dbraw/zinc/59/11/03/170591103.db2.gz PXOXBSZXPOOPKV-UHFFFAOYSA-N 1 0 237.343 2.254 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000661517333 411794186 /nfs/dbraw/zinc/79/41/86/411794186.db2.gz LJZVKQSKDFMHSF-GLQYFDAESA-N 1 0 233.355 2.465 10 0 BEAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339515302 170744731 /nfs/dbraw/zinc/74/47/31/170744731.db2.gz KLEGBFHLULVPLV-GHMZBOCLSA-N 1 0 226.364 2.068 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@H](C)N(C)Cc1ccccn1 ZINC000053491323 170752350 /nfs/dbraw/zinc/75/23/50/170752350.db2.gz ZMYXIHMSWGYDAO-OLZOCXBDSA-N 1 0 235.375 2.290 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H](C)Cc1c(C)nn(C)c1C ZINC000120665625 170755843 /nfs/dbraw/zinc/75/58/43/170755843.db2.gz XQOLNBOGVUBYTC-ZJUUUORDSA-N 1 0 223.364 2.356 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123955672 170790755 /nfs/dbraw/zinc/79/07/55/170790755.db2.gz COLKYNDHISSCOF-NEPJUHHUSA-N 1 0 209.337 2.216 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000042556262 170791265 /nfs/dbraw/zinc/79/12/65/170791265.db2.gz CNTXISQBYWKLAN-MNOVXSKESA-N 1 0 234.343 2.310 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])c1nnc(C)n1C(C)C ZINC000042030892 170796602 /nfs/dbraw/zinc/79/66/02/170796602.db2.gz FQMPABBMVMOZJU-SCZZXKLOSA-N 1 0 210.325 2.213 10 0 BEAERO CC[C@@H](C[NH3+])CC(=O)N(C)Cc1ccccc1 ZINC000076616641 170821951 /nfs/dbraw/zinc/82/19/51/170821951.db2.gz UMUHMOLRTRUMQZ-GFCCVEGCSA-N 1 0 234.343 2.020 10 0 BEAERO CC[C@@H]([NH3+])C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049500068 170863803 /nfs/dbraw/zinc/86/38/03/170863803.db2.gz RPESDXKOCXUVKU-SSDOTTSWSA-N 1 0 241.360 2.116 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccccc1C(F)(F)F ZINC000036779382 170866857 /nfs/dbraw/zinc/86/68/57/170866857.db2.gz DYQPMBLUZWYVIU-ZJUUUORDSA-N 1 0 233.233 2.476 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](C)Oc1cccc(F)c1F ZINC000062614184 170866980 /nfs/dbraw/zinc/86/69/80/170866980.db2.gz SZYKSRZQNADDRV-VXNVDRBHSA-N 1 0 215.243 2.469 10 0 BEAERO CC[C@@H]([NH3+])c1ccc(OCCn2cccn2)cc1 ZINC000049313528 170869548 /nfs/dbraw/zinc/86/95/48/170869548.db2.gz MKHSHXLYEGEWHO-CQSZACIVSA-N 1 0 245.326 2.372 10 0 BEAERO CC[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)OC ZINC000043623888 170871025 /nfs/dbraw/zinc/87/10/25/170871025.db2.gz WBJPBYWNZKNAAS-MWLCHTKSSA-N 1 0 237.299 2.037 10 0 BEAERO CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000049532044 170881835 /nfs/dbraw/zinc/88/18/35/170881835.db2.gz MVLUHIKXKSAIID-ZJUUUORDSA-N 1 0 238.356 2.067 10 0 BEAERO CC[C@@H]([NH2+]C)c1nnc(-c2ccsc2)o1 ZINC000061512062 170888568 /nfs/dbraw/zinc/88/85/68/170888568.db2.gz NBCGIEJWSQNHEO-MRVPVSSYSA-N 1 0 223.301 2.469 10 0 BEAERO CC[C@@H]([NH2+]C)c1ccc2c(c1)CCC(=O)N2 ZINC000035490395 170889104 /nfs/dbraw/zinc/88/91/04/170889104.db2.gz NDVWHFQFUWALCE-LLVKDONJSA-N 1 0 218.300 2.242 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCCc2ccccc2C1 ZINC000219931649 411989287 /nfs/dbraw/zinc/98/92/87/411989287.db2.gz HEKNFHNPCWTQBW-HUUCEWRRSA-N 1 0 231.339 2.348 10 0 BEAERO CC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@H]1O ZINC000662127576 411995354 /nfs/dbraw/zinc/99/53/54/411995354.db2.gz CFXKTAGNXABSNU-ZLOUSURVSA-N 1 0 209.333 2.163 10 0 BEAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1O ZINC000042579021 170968680 /nfs/dbraw/zinc/96/86/80/170968680.db2.gz PJBYCYFEFPRGFP-XQHKEYJVSA-N 1 0 211.349 2.458 10 0 BEAERO CC[C@@H]1CC[N@H+](CC2CCCC2)CCN1 ZINC000049661939 171009757 /nfs/dbraw/zinc/00/97/57/171009757.db2.gz RMKBQEVWIIRONN-CYBMUJFWSA-N 1 0 210.365 2.251 10 0 BEAERO CC[C@@H]1CCN(Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661828 171012522 /nfs/dbraw/zinc/01/25/22/171012522.db2.gz OVTCCURLAKCBIQ-CQSZACIVSA-N 1 0 236.334 2.400 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(CC)C1 ZINC000336732104 171044946 /nfs/dbraw/zinc/04/49/46/171044946.db2.gz LCSJJMLSWAFDKQ-UPJWGTAASA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](N(CCOC)C2CC2)C1 ZINC000042518156 171056691 /nfs/dbraw/zinc/05/66/91/171056691.db2.gz GTPLLROYJJQXPO-KWCYVHTRSA-N 1 0 240.391 2.003 10 0 BEAERO CC[C@@H]1CN(C)[C@H](c2cccs2)C[NH2+]1 ZINC000083346375 171073586 /nfs/dbraw/zinc/07/35/86/171073586.db2.gz CJFXLPUXAGBNAJ-ZJUUUORDSA-N 1 0 210.346 2.103 10 0 BEAERO CC[C@@H]1CN(CCc2cccc(F)c2)CC[NH2+]1 ZINC000083363916 171083185 /nfs/dbraw/zinc/08/31/85/171083185.db2.gz KDGRXHSPYZWPAN-CQSZACIVSA-N 1 0 236.334 2.052 10 0 BEAERO CC[C@@H]1CN(C[C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000053866749 171086217 /nfs/dbraw/zinc/08/62/17/171086217.db2.gz SCUKECRIWZNOAE-MJBXVCDLSA-N 1 0 240.391 2.005 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000083368272 171087936 /nfs/dbraw/zinc/08/79/36/171087936.db2.gz YATSQCIZYTUDPP-LLVKDONJSA-N 1 0 240.297 2.149 10 0 BEAERO CC[C@@H]1C[N@H+](Cc2ccc(C)c(N)c2)CCO1 ZINC000036770142 171089642 /nfs/dbraw/zinc/08/96/42/171089642.db2.gz ZOSNGFWDUZGYRT-CYBMUJFWSA-N 1 0 234.343 2.188 10 0 BEAERO CC[C@@H]1CN([C@H](C)c2ccc(OC)cc2)CC[NH2+]1 ZINC000083379181 171096507 /nfs/dbraw/zinc/09/65/07/171096507.db2.gz GDEQQBWMHVZTMI-TZMCWYRMSA-N 1 0 248.370 2.440 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccnc1 ZINC000246390188 171100053 /nfs/dbraw/zinc/10/00/53/171100053.db2.gz CCDMBPWRAJRPRC-CABCVRRESA-N 1 0 245.370 2.140 10 0 BEAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccccc1C ZINC000036325921 171108152 /nfs/dbraw/zinc/10/81/52/171108152.db2.gz QDDXTNWVJVOVBC-HIFRSBDPSA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)C(C)(C)C ZINC000054026709 171111105 /nfs/dbraw/zinc/11/11/05/171111105.db2.gz LBKSAAKRHYOKPA-NWDGAFQWSA-N 1 0 241.375 2.491 10 0 BEAERO CC[C@@H]1Cc2nc(SC)sc2C[NH2+]1 ZINC000039101734 171143085 /nfs/dbraw/zinc/14/30/85/171143085.db2.gz HLHIDSLWRFNLGX-ZCFIWIBFSA-N 1 0 214.359 2.289 10 0 BEAERO CC[C@@](C)(C[NH3+])N1Cc2ccccc2C1 ZINC000050910668 171167513 /nfs/dbraw/zinc/16/75/13/171167513.db2.gz LXVVGWNVQMNPOK-ZDUSSCGKSA-N 1 0 204.317 2.130 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(C)o1 ZINC000119403246 171177186 /nfs/dbraw/zinc/17/71/86/171177186.db2.gz XDRUIHBRHAIEKF-GFCCVEGCSA-N 1 0 211.305 2.181 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)CCOc1ccccc1 ZINC000123028337 171177509 /nfs/dbraw/zinc/17/75/09/171177509.db2.gz SNKCSRIMMWNJCE-CQSZACIVSA-N 1 0 237.343 2.158 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000372502415 171179175 /nfs/dbraw/zinc/17/91/75/171179175.db2.gz GHIIPXRIYFNDAK-ZYHUDNBSSA-N 1 0 240.372 2.441 10 0 BEAERO CC[C@@]1(C(=O)N(C)[C@@H](C)C(C)C)CCC[NH2+]C1 ZINC000062854013 171195208 /nfs/dbraw/zinc/19/52/08/171195208.db2.gz BEGWMRFKHZRPJQ-GXTWGEPZSA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@@]1(C(=O)Nc2ccncc2C)CCC[NH2+]C1 ZINC000104244925 171197190 /nfs/dbraw/zinc/19/71/90/171197190.db2.gz LPCVHEQXIZOGAB-CQSZACIVSA-N 1 0 247.342 2.108 10 0 BEAERO CC[C@@]1(c2nc3c(cccc3F)[nH]2)CC[NH2+]C1 ZINC000062915045 171217090 /nfs/dbraw/zinc/21/70/90/171217090.db2.gz LYLIDSBUZVMTIZ-CYBMUJFWSA-N 1 0 233.290 2.343 10 0 BEAERO CC[C@H](C)C(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037915923 171247904 /nfs/dbraw/zinc/24/79/04/171247904.db2.gz CDDXCSLAZOEWQD-AAEUAGOBSA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H](C)C(=O)Nc1cc(C[NH3+])ccc1C ZINC000050430664 171254721 /nfs/dbraw/zinc/25/47/21/171254721.db2.gz ZITDNCXJPPCMLI-VIFPVBQESA-N 1 0 220.316 2.438 10 0 BEAERO CC[C@H](C)C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000128693603 171286196 /nfs/dbraw/zinc/28/61/96/171286196.db2.gz QDPJQBCTKXKTAI-VIFPVBQESA-N 1 0 225.288 2.202 10 0 BEAERO CC[C@H](C)C[NH2+][C@H](C)c1c(C)nc(C)[nH]c1=O ZINC000054468892 171286998 /nfs/dbraw/zinc/28/69/98/171286998.db2.gz YJRVDILPSSBMRJ-DTWKUNHWSA-N 1 0 237.347 2.083 10 0 BEAERO CC[C@H](C)[N@H+](C)Cc1ncccc1C(=O)OC ZINC000304175968 171310176 /nfs/dbraw/zinc/31/01/76/171310176.db2.gz NMVAHIFNBUSCBR-JTQLQIEISA-N 1 0 236.315 2.099 10 0 BEAERO CC[C@H](C)[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000287279943 171313103 /nfs/dbraw/zinc/31/31/03/171313103.db2.gz IBRITNOHEUQTFW-JSGCOSHPSA-N 1 0 233.355 2.419 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000020364503 171332448 /nfs/dbraw/zinc/33/24/48/171332448.db2.gz OSEIQQRGMKEOMU-WUHRBBMRSA-N 1 0 240.391 2.458 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000020036541 171338804 /nfs/dbraw/zinc/33/88/04/171338804.db2.gz VKLFUIJPMNVDKT-JTQLQIEISA-N 1 0 236.315 2.022 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N1CCCCCCC1 ZINC000037389538 171339186 /nfs/dbraw/zinc/33/91/86/171339186.db2.gz GINLEVNVMBCNOR-LBPRGKRZSA-N 1 0 226.364 2.167 10 0 BEAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1ccc(F)c(N)c1 ZINC000098126607 171340519 /nfs/dbraw/zinc/34/05/19/171340519.db2.gz PCYYHCXZLLLYAW-TVQRCGJNSA-N 1 0 240.322 2.220 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H]1CCCn2ccnc21 ZINC000309169681 171342525 /nfs/dbraw/zinc/34/25/25/171342525.db2.gz KTIFPECTBSHASN-WDEREUQCSA-N 1 0 207.321 2.149 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000026515188 171345279 /nfs/dbraw/zinc/34/52/79/171345279.db2.gz QELHMZRJHSHJIY-RYUDHWBXSA-N 1 0 226.364 2.166 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000037140708 171346487 /nfs/dbraw/zinc/34/64/87/171346487.db2.gz RICICBYIETXHDI-QWRGUYRKSA-N 1 0 236.363 2.454 10 0 BEAERO CC[C@H](C)[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000038116143 171346905 /nfs/dbraw/zinc/34/69/05/171346905.db2.gz SEZBXDLZGKGJHH-SMDDNHRTSA-N 1 0 219.328 2.209 10 0 BEAERO CC[C@H](C)[NH2+][C@](C)(CCc1ccccc1)C(N)=O ZINC000038065335 171348574 /nfs/dbraw/zinc/34/85/74/171348574.db2.gz FNEGOEXIEUGFBC-SWLSCSKDSA-N 1 0 248.370 2.251 10 0 BEAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCCc2ccccc21 ZINC000038065025 171349622 /nfs/dbraw/zinc/34/96/22/171349622.db2.gz GIXRPNDMHWECLK-XHDPSFHLSA-N 1 0 246.354 2.092 10 0 BEAERO CC[C@H](C)[NH2+][C@]1(CO)CCc2ccccc21 ZINC000038116141 171349943 /nfs/dbraw/zinc/34/99/43/171349943.db2.gz SEZBXDLZGKGJHH-FZMZJTMJSA-N 1 0 219.328 2.209 10 0 BEAERO CC[C@H](C)Nc1cnn(CC[NH+](CC)CC)c1 ZINC000037786673 171350468 /nfs/dbraw/zinc/35/04/68/171350468.db2.gz IAHPZGNPTFJZCI-LBPRGKRZSA-N 1 0 238.379 2.435 10 0 BEAERO CC[C@H](C)Oc1ccc(C(N)=[NH2+])cc1F ZINC000048264872 171356252 /nfs/dbraw/zinc/35/62/52/171356252.db2.gz XENWBPYYYIJYEN-ZETCQYMHSA-N 1 0 210.252 2.287 10 0 BEAERO CC[C@H](C)[C@@H](CN)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615230 171368511 /nfs/dbraw/zinc/36/85/11/171368511.db2.gz FKVVDBQSEQYHLP-SGMGOOAPSA-N 1 0 242.407 2.107 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nncn1-c1ccccc1 ZINC000019508785 171372247 /nfs/dbraw/zinc/37/22/47/171372247.db2.gz KZCUSOCGPITGQY-CMPLNLGQSA-N 1 0 230.315 2.313 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccnc1Cl ZINC000037019984 171372762 /nfs/dbraw/zinc/37/27/62/171372762.db2.gz QGGVJWOCNMYFGS-IONNQARKSA-N 1 0 241.722 2.047 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892125 171372944 /nfs/dbraw/zinc/37/29/44/171372944.db2.gz YWOSVEHZOGYMNB-WRWORJQWSA-N 1 0 220.272 2.167 10 0 BEAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)NC(=O)CO2 ZINC000035501742 171373488 /nfs/dbraw/zinc/37/34/88/171373488.db2.gz VGSXNUIAKKBSMN-LKFCYVNXSA-N 1 0 248.326 2.324 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000042556265 171389714 /nfs/dbraw/zinc/38/97/14/171389714.db2.gz CNTXISQBYWKLAN-QWRGUYRKSA-N 1 0 234.343 2.310 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000042273529 171393384 /nfs/dbraw/zinc/39/33/84/171393384.db2.gz JMAZYJQNTUHYKK-RNJOBUHISA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CCC(C)C)C1CC1 ZINC000037807027 171394357 /nfs/dbraw/zinc/39/43/57/171394357.db2.gz NKWRUBYGDZDYDX-AAEUAGOBSA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccc1 ZINC000062188583 171395760 /nfs/dbraw/zinc/39/57/60/171395760.db2.gz QGKAQPITWJQPCQ-OBJOEFQTSA-N 1 0 248.370 2.107 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(O)c(C)c1 ZINC000122662184 171396999 /nfs/dbraw/zinc/39/69/99/171396999.db2.gz CUHYICUZTVGKBR-UFBFGSQYSA-N 1 0 236.315 2.013 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(F)ccc1F ZINC000019516451 171397035 /nfs/dbraw/zinc/39/70/35/171397035.db2.gz POANCSXYQCZPNT-CPCISQLKSA-N 1 0 242.269 2.277 10 0 BEAERO CC(C)CN(C(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000134215736 412128267 /nfs/dbraw/zinc/12/82/67/412128267.db2.gz MJLUKVLEYPXHJT-LBPRGKRZSA-N 1 0 228.380 2.253 10 0 BEAERO CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)c1ccccc1 ZINC000662378189 412130911 /nfs/dbraw/zinc/13/09/11/412130911.db2.gz DONOCRMJCRHHIY-OLZOCXBDSA-N 1 0 234.343 2.252 10 0 BEAERO CC[C@H]([NH2+]C)C(=O)NC1CCC(CC)CC1 ZINC000662378224 412131478 /nfs/dbraw/zinc/13/14/78/412131478.db2.gz GIQLWLNMKVFVAN-MCIGGMRASA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000662378488 412131513 /nfs/dbraw/zinc/13/15/13/412131513.db2.gz VSWICVKSDFDMSA-JSGCOSHPSA-N 1 0 248.370 2.479 10 0 BEAERO C[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000665239790 412179893 /nfs/dbraw/zinc/17/98/93/412179893.db2.gz ZGCXYWOZSVRBJP-MROQNXINSA-N 1 0 210.365 2.010 10 0 BEAERO C[C@H]1CC(C[NH2+][C@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000665239792 412180127 /nfs/dbraw/zinc/18/01/27/412180127.db2.gz ZGCXYWOZSVRBJP-WZRBSPASSA-N 1 0 210.365 2.010 10 0 BEAERO COc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091425303 322929939 /nfs/dbraw/zinc/92/99/39/322929939.db2.gz RDLMMYCOQMFWEH-XSRFYTQQSA-N 1 0 235.327 2.117 10 0 BEAERO CC[C@H]([NH3+])Cc1nc(C(F)(F)F)cs1 ZINC000054184371 171486529 /nfs/dbraw/zinc/48/65/29/171486529.db2.gz PPELIXPJBFELMQ-YFKPBYRVSA-N 1 0 224.251 2.442 10 0 BEAERO CC[C@H]([NH3+])Cc1noc(-c2sccc2C)n1 ZINC000054184805 171486725 /nfs/dbraw/zinc/48/67/25/171486725.db2.gz BUUVCRMYELLKNA-QMMMGPOBSA-N 1 0 237.328 2.386 10 0 BEAERO CC[C@H]([NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000032101489 171488267 /nfs/dbraw/zinc/48/82/67/171488267.db2.gz FAFPZNUDESRRFH-VHSXEESVSA-N 1 0 244.132 2.220 10 0 BEAERO CC[C@H]([NH3+])[C@H](OCCOC)c1cccc(F)c1 ZINC000042973693 171488813 /nfs/dbraw/zinc/48/88/13/171488813.db2.gz FPOVQHVWHRCPGK-QWHCGFSZSA-N 1 0 241.306 2.267 10 0 BEAERO CC[C@H]([NH3+])[C@H](c1ccccc1C)N1CCOCC1 ZINC000043033299 171489798 /nfs/dbraw/zinc/48/97/98/171489798.db2.gz DWODTGMCUHAMBV-GJZGRUSLSA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@H]([NH3+])c1cnn(-c2ccccc2)c1 ZINC000036893116 171492076 /nfs/dbraw/zinc/49/20/76/171492076.db2.gz LCCFVIPCDZLBQZ-LBPRGKRZSA-N 1 0 201.273 2.282 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C)C(C)C ZINC000055138150 171506204 /nfs/dbraw/zinc/50/62/04/171506204.db2.gz LMWFKAGVMYYVGJ-LOWDOPEQSA-N 1 0 240.391 2.301 10 0 BEAERO Cc1cc(C)cc(CNC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000662648439 412256750 /nfs/dbraw/zinc/25/67/50/412256750.db2.gz YCFKEPLBDSBURP-CQSZACIVSA-N 1 0 248.370 2.293 10 0 BEAERO CC[C@H](O)COc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799164 171579986 /nfs/dbraw/zinc/57/99/86/171579986.db2.gz TZBKVGKWKBDKLN-GWCFXTLKSA-N 1 0 235.327 2.043 10 0 BEAERO CCC1(CC)CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662693667 412272794 /nfs/dbraw/zinc/27/27/94/412272794.db2.gz VEYBYJZJHBTZQR-GFCCVEGCSA-N 1 0 238.375 2.025 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662712553 412279611 /nfs/dbraw/zinc/27/96/11/412279611.db2.gz GEXRKYIIOAMJEQ-QWHCGFSZSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@H]1CN(Cc2ccco2)[C@@H](CC)C[NH2+]1 ZINC000083088176 171662497 /nfs/dbraw/zinc/66/24/97/171662497.db2.gz TWKRULQQBDXONX-RYUDHWBXSA-N 1 0 222.332 2.242 10 0 BEAERO CC[C@H]1C[NH2+][C@@H](C)CN1Cc1cccc(F)c1 ZINC000083363985 171668101 /nfs/dbraw/zinc/66/81/01/171668101.db2.gz RKNMUVNVUQJTOW-FZMZJTMJSA-N 1 0 236.334 2.398 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000662856090 412325301 /nfs/dbraw/zinc/32/53/01/412325301.db2.gz YKZJKKDSZSLTBC-VOMCLLRMSA-N 1 0 240.391 2.445 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)CC ZINC000662855913 412325887 /nfs/dbraw/zinc/32/58/87/412325887.db2.gz XALAEBUTSGWIJL-ZJUUUORDSA-N 1 0 214.353 2.055 10 0 BEAERO CC[C@](C)(C[NH3+])N1CCc2ccccc21 ZINC000019435745 171692678 /nfs/dbraw/zinc/69/26/78/171692678.db2.gz YXUFQRSVPKAFKP-CYBMUJFWSA-N 1 0 204.317 2.177 10 0 BEAERO CCc1ccc(C2([NH3+])CCOCC2)cc1 ZINC000063077138 171789647 /nfs/dbraw/zinc/78/96/47/171789647.db2.gz BGMKVJCKCSNOJB-UHFFFAOYSA-N 1 0 205.301 2.213 10 0 BEAERO CCCc1nccnc1NCC([NH3+])(CC)CC ZINC000663272916 412404278 /nfs/dbraw/zinc/40/42/78/412404278.db2.gz SIWMTLCMVWMHKY-UHFFFAOYSA-N 1 0 236.363 2.359 10 0 BEAERO CCc1ccc(CN2CCC[C@H]([NH2+]C)C2)o1 ZINC000053201794 171800287 /nfs/dbraw/zinc/80/02/87/171800287.db2.gz JRPMCIHPJGYQTK-NSHDSACASA-N 1 0 222.332 2.026 10 0 BEAERO CCc1ccc(N2CC[C@H]([NH2+]C)C2)cc1 ZINC000037241538 171816979 /nfs/dbraw/zinc/81/69/79/171816979.db2.gz WHERLAKABATJII-LBPRGKRZSA-N 1 0 204.317 2.047 10 0 BEAERO CCc1ccc([C@@H]([NH3+])[C@@H]2CCOC2)s1 ZINC000048622753 171834347 /nfs/dbraw/zinc/83/43/47/171834347.db2.gz HKCYIBZTKPGXGR-KCJUWKMLSA-N 1 0 211.330 2.347 10 0 BEAERO CCc1ccc([C@H](O)C2CC[NH2+]CC2)s1 ZINC000036906391 171843940 /nfs/dbraw/zinc/84/39/40/171843940.db2.gz QJAGJTFNJBGWJY-GFCCVEGCSA-N 1 0 225.357 2.344 10 0 BEAERO CCc1ccccc1NC(=O)[C@@H](C)CC[NH3+] ZINC000076610130 171887544 /nfs/dbraw/zinc/88/75/44/171887544.db2.gz KDAWJXDWYCXJFP-JTQLQIEISA-N 1 0 220.316 2.172 10 0 BEAERO CCc1ccccc1NC1CC[NH2+]CC1 ZINC000038040591 171888348 /nfs/dbraw/zinc/88/83/48/171888348.db2.gz NXXYYNARNCJLJC-UHFFFAOYSA-N 1 0 204.317 2.413 10 0 BEAERO CCc1ccccc1OCCC[NH2+]CCOC ZINC000053587693 171890843 /nfs/dbraw/zinc/89/08/43/171890843.db2.gz NEJYSPTWLIJDDT-UHFFFAOYSA-N 1 0 237.343 2.254 10 0 BEAERO CCc1nc([C@]2(N)CCCc3ccccc32)no1 ZINC000036762959 172008432 /nfs/dbraw/zinc/00/84/32/172008432.db2.gz JMLXXIDKOHDIRN-AWEZNQCLSA-N 1 0 243.310 2.171 10 0 BEAERO CCc1nc([C@H]2CCCO2)sc1C[NH2+]C ZINC000082423929 172008612 /nfs/dbraw/zinc/00/86/12/172008612.db2.gz HMMGEBRFKCLMIX-SECBINFHSA-N 1 0 226.345 2.276 10 0 BEAERO CCc1ncc(C[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000037924638 172020419 /nfs/dbraw/zinc/02/04/19/172020419.db2.gz QTYMNYQWEUSXKS-VHSXEESVSA-N 1 0 240.372 2.099 10 0 BEAERO CCc1ncc(C[NH2+][C@H](C)[C@H]2CCCO2)s1 ZINC000037923981 172020627 /nfs/dbraw/zinc/02/06/27/172020627.db2.gz SPOWXRVNTRRUTL-MWLCHTKSSA-N 1 0 240.372 2.363 10 0 BEAERO CCc1nccn1[C@H]1CCC[N@@H+](CC)C1 ZINC000105897403 172028650 /nfs/dbraw/zinc/02/86/50/172028650.db2.gz UFDYFERATYUVDE-NSHDSACASA-N 1 0 207.321 2.102 10 0 BEAERO CCc1nccn1[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000044037460 172028688 /nfs/dbraw/zinc/02/86/88/172028688.db2.gz YJFRFDGJGUAAJU-WDEREUQCSA-N 1 0 207.321 2.149 10 0 BEAERO CCc1nccn1[C@H](C[NH3+])c1cccs1 ZINC000043107468 172028928 /nfs/dbraw/zinc/02/89/28/172028928.db2.gz GVTVXXBWIKRIJT-SECBINFHSA-N 1 0 221.329 2.055 10 0 BEAERO CCn1c(C)nnc1C1([NH3+])CCCCCC1 ZINC000042029699 172139956 /nfs/dbraw/zinc/13/99/56/172139956.db2.gz ALAGDTIKRBNEGH-UHFFFAOYSA-N 1 0 222.336 2.115 10 0 BEAERO CCn1c2cccc(F)c2nc1[C@@H](C)C[NH3+] ZINC000054334323 172147653 /nfs/dbraw/zinc/14/76/53/172147653.db2.gz KJIKEJOIQRBZEX-QMMMGPOBSA-N 1 0 221.279 2.258 10 0 BEAERO CCn1cc(C[NH3+])c(-c2ccsc2)n1 ZINC000082640498 172162858 /nfs/dbraw/zinc/16/28/58/172162858.db2.gz MKJPKSXPEHXFLB-UHFFFAOYSA-N 1 0 207.302 2.090 10 0 BEAERO CCn1cc(C[NH2+]CCCO)c2ccccc21 ZINC000040743719 172169865 /nfs/dbraw/zinc/16/98/65/172169865.db2.gz OUGDLSXUDLRUGT-UHFFFAOYSA-N 1 0 232.327 2.133 10 0 BEAERO CCn1cc([C@H]([NH3+])c2ccc(C)cc2)cn1 ZINC000043469098 172198937 /nfs/dbraw/zinc/19/89/37/172198937.db2.gz NOQAYLXCGLZEIR-CYBMUJFWSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1cc([C@H]([NH3+])c2ccsc2)cn1 ZINC000043469161 172199226 /nfs/dbraw/zinc/19/92/26/172199226.db2.gz VFYZUSQMILPMFF-SNVBAGLBSA-N 1 0 207.302 2.013 10 0 BEAERO CCn1cccc1C[NH2+]CCC[C@H](C)CO ZINC000228302451 172207017 /nfs/dbraw/zinc/20/70/17/172207017.db2.gz MUDLJAOCHHDPPW-LBPRGKRZSA-N 1 0 224.348 2.006 10 0 BEAERO CCn1cccc1C[NH2+]C1CCSCC1 ZINC000220692700 172207165 /nfs/dbraw/zinc/20/71/65/172207165.db2.gz CQRIWWLOEAJSBT-UHFFFAOYSA-N 1 0 224.373 2.493 10 0 BEAERO CCn1cccc1C[NH2+]CC1CCOCC1 ZINC000085609672 172207307 /nfs/dbraw/zinc/20/73/07/172207307.db2.gz XEYKABGPVROMLU-UHFFFAOYSA-N 1 0 222.332 2.024 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H](C)SC ZINC000169105666 172207953 /nfs/dbraw/zinc/20/79/53/172207953.db2.gz OUXRIGJPARJONR-SNVBAGLBSA-N 1 0 212.362 2.349 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)CSC ZINC000127400030 172208763 /nfs/dbraw/zinc/20/87/63/172208763.db2.gz JYTJMHYUBGFFIV-JTQLQIEISA-N 1 0 212.362 2.349 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000296676628 172209146 /nfs/dbraw/zinc/20/91/46/172209146.db2.gz GNZRJISEOYHOMA-WCQYABFASA-N 1 0 222.332 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000158505081 172209352 /nfs/dbraw/zinc/20/93/52/172209352.db2.gz UPKQVHGJUHCALO-NWDGAFQWSA-N 1 0 222.332 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@H](CO)CC(C)C ZINC000085609093 172209895 /nfs/dbraw/zinc/20/98/95/172209895.db2.gz AKWPFUFDRCZYEV-LBPRGKRZSA-N 1 0 224.348 2.005 10 0 BEAERO CCn1cccc1C[NH2+][C@H](C)CN1CCCCC1 ZINC000091025241 172209909 /nfs/dbraw/zinc/20/99/09/172209909.db2.gz RFGNMLLHEHBWJB-CQSZACIVSA-N 1 0 249.402 2.472 10 0 BEAERO CCn1cc[nH+]c1NC1(CO)CCCCC1 ZINC000053096573 172228371 /nfs/dbraw/zinc/22/83/71/172228371.db2.gz VPZONYBERZVWLY-UHFFFAOYSA-N 1 0 223.320 2.010 10 0 BEAERO CCn1ccnc1[C@H]([NH3+])c1ccc(F)cc1 ZINC000011735178 172230122 /nfs/dbraw/zinc/23/01/22/172230122.db2.gz UMVLGGRUPVUUOR-LLVKDONJSA-N 1 0 219.263 2.090 10 0 BEAERO CCn1ccnc1[C@@H]([NH3+])c1cccc(C)c1 ZINC000011735121 172230206 /nfs/dbraw/zinc/23/02/06/172230206.db2.gz JZPVQEWNDSFHRT-LBPRGKRZSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1nc(-c2cccs2)c2c1CC[NH2+]C2 ZINC000167707806 172241215 /nfs/dbraw/zinc/24/12/15/172241215.db2.gz VPOAGGTYTZPBSD-UHFFFAOYSA-N 1 0 233.340 2.277 10 0 BEAERO CN(C(=O)C(C)(C)[NH3+])[C@H]1CCCc2ccccc21 ZINC000042372733 172294788 /nfs/dbraw/zinc/29/47/88/172294788.db2.gz OSQWKFQHFPTGIQ-ZDUSSCGKSA-N 1 0 246.354 2.260 10 0 BEAERO CN(C(=O)C(C)(C)[NH3+])[C@@H]1CCCc2ccccc21 ZINC000042372732 172295053 /nfs/dbraw/zinc/29/50/53/172295053.db2.gz OSQWKFQHFPTGIQ-CYBMUJFWSA-N 1 0 246.354 2.260 10 0 BEAERO CN(C)C(=O)C[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000035012533 172371960 /nfs/dbraw/zinc/37/19/60/172371960.db2.gz WTGYMWQYWLUJDW-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO CN(C)C(=O)[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000067172038 172385192 /nfs/dbraw/zinc/38/51/92/172385192.db2.gz MUPYJCIMZRZAOL-GFCCVEGCSA-N 1 0 234.343 2.072 10 0 BEAERO CN(C)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309928622 172396571 /nfs/dbraw/zinc/39/65/71/172396571.db2.gz WUSMWLNVMGGBIO-NEPJUHHUSA-N 1 0 230.371 2.445 10 0 BEAERO CN(C)c1cccc(O[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000040714312 172568237 /nfs/dbraw/zinc/56/82/37/172568237.db2.gz YMNMUAYQAGRBJI-QWHCGFSZSA-N 1 0 220.316 2.011 10 0 BEAERO CN(CC1CCCC1)C(=O)C1CCC([NH3+])CC1 ZINC000083929924 172657533 /nfs/dbraw/zinc/65/75/33/172657533.db2.gz FWPSJAJUSLPQBS-UHFFFAOYSA-N 1 0 238.375 2.153 10 0 BEAERO CN(C[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000053873806 172831779 /nfs/dbraw/zinc/83/17/79/172831779.db2.gz CBEGXIRKCHXBDC-MFKMUULPSA-N 1 0 222.307 2.389 10 0 BEAERO CN(Cc1ccccn1)[C@H](C[NH3+])c1ccccc1 ZINC000036777125 172879829 /nfs/dbraw/zinc/87/98/29/172879829.db2.gz VDGQSQLMZXKTEB-OAHLLOKOSA-N 1 0 241.338 2.213 10 0 BEAERO CN(c1cc(C[NH3+])c2ccccc2n1)C1CC1 ZINC000051396625 172945285 /nfs/dbraw/zinc/94/52/85/172945285.db2.gz FFUJZSJDPVGEOQ-UHFFFAOYSA-N 1 0 227.311 2.292 10 0 BEAERO CN(c1ccc(C(F)(F)F)cn1)C1CC([NH3+])C1 ZINC000335659887 172946780 /nfs/dbraw/zinc/94/67/80/172946780.db2.gz NONTTYODFFOYAW-UHFFFAOYSA-N 1 0 245.248 2.026 10 0 BEAERO C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000013741526 173003567 /nfs/dbraw/zinc/00/35/67/173003567.db2.gz DZVDLNBMBMYHGT-UHFFFAOYSA-N 1 0 203.285 2.138 10 0 BEAERO C[N@@H+]1CCCC[C@@H]1COc1ccc(F)cc1N ZINC000020352132 173005166 /nfs/dbraw/zinc/00/51/66/173005166.db2.gz AOJDLKUSJHKFCX-LLVKDONJSA-N 1 0 238.306 2.271 10 0 BEAERO C[N@@H+]1CCCC[C@]12CCN(c1cccnc1)C2 ZINC000034117467 173010554 /nfs/dbraw/zinc/01/05/54/173010554.db2.gz UYQZDLGBFGTWLR-CQSZACIVSA-N 1 0 231.343 2.146 10 0 BEAERO CN1CCC[N@H+](C[C@H]2CCCCC2(F)F)CC1 ZINC000336278244 173016649 /nfs/dbraw/zinc/01/66/49/173016649.db2.gz FCMJTBRMNCETKR-GFCCVEGCSA-N 1 0 246.345 2.449 10 0 BEAERO C[N@@H+]1CCCN(c2ccc(N)cc2Cl)CC1 ZINC000020217462 173018600 /nfs/dbraw/zinc/01/86/00/173018600.db2.gz SZGRYRRMOCAOMM-UHFFFAOYSA-N 1 0 239.750 2.064 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2cc(F)ccc2N)C1 ZINC000052122048 173041243 /nfs/dbraw/zinc/04/12/43/173041243.db2.gz ZYIZEIKJGSRVKW-SNVBAGLBSA-N 1 0 237.322 2.162 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000040673499 173046008 /nfs/dbraw/zinc/04/60/08/173046008.db2.gz CDBQPZAYNROGBZ-JTQLQIEISA-N 1 0 225.723 2.241 10 0 BEAERO CN1CC[NH+]([C@H]2CCCc3ccc(O)cc32)CC1 ZINC000090505076 173093966 /nfs/dbraw/zinc/09/39/66/173093966.db2.gz VJDPDWMXGFSDAW-HNNXBMFYSA-N 1 0 246.354 2.017 10 0 BEAERO C[N@@H+]1CC[C@@H](CNc2ccc(Cl)cc2N)C1 ZINC000037484604 173117196 /nfs/dbraw/zinc/11/71/96/173117196.db2.gz UVAHBZXWQXSAHB-VIFPVBQESA-N 1 0 239.750 2.286 10 0 BEAERO CN1CC[C@@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000116281233 173119890 /nfs/dbraw/zinc/11/98/90/173119890.db2.gz QRKSGEHHBZLVAD-HIFRSBDPSA-N 1 0 248.370 2.039 10 0 BEAERO CN1CC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000042545509 173124709 /nfs/dbraw/zinc/12/47/09/173124709.db2.gz WMSLPHJEMSCPJS-HNFVBEJKSA-N 1 0 248.345 2.365 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2cc(F)c(F)cc2F)C1 ZINC000061989923 173125560 /nfs/dbraw/zinc/12/55/60/173125560.db2.gz DCBPLICWBZZELS-SSDOTTSWSA-N 1 0 230.233 2.220 10 0 BEAERO C[N@@H+]1CC[C@H](CNc2ccc(N)cc2Cl)C1 ZINC000037484599 173146336 /nfs/dbraw/zinc/14/63/36/173146336.db2.gz IBGFSMLESFDDTN-SECBINFHSA-N 1 0 239.750 2.286 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccc(OC(F)F)cc2)C1 ZINC000061984721 173155015 /nfs/dbraw/zinc/15/50/15/173155015.db2.gz GDECNLVXZWIBRO-JTQLQIEISA-N 1 0 242.269 2.404 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2cc(F)c(F)c(F)c2)C1 ZINC000061989926 173155262 /nfs/dbraw/zinc/15/52/62/173155262.db2.gz ZWPPDVMVOBGTPI-ZETCQYMHSA-N 1 0 230.233 2.220 10 0 BEAERO C[N@@H+]1CCc2cccc(Br)c2CC1 ZINC000095742336 173172400 /nfs/dbraw/zinc/17/24/00/173172400.db2.gz CUVOHXQZMSVRNB-UHFFFAOYSA-N 1 0 240.144 2.480 10 0 BEAERO C[N@@H+]1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000028019877 173174806 /nfs/dbraw/zinc/17/48/06/173174806.db2.gz ZRIMUQQPKGTVBS-UHFFFAOYSA-N 1 0 231.274 2.204 10 0 BEAERO CN1C[C@@H]([NH2+]CCC2CCCCC2)CCC1=O ZINC000125104012 173186919 /nfs/dbraw/zinc/18/69/19/173186919.db2.gz CLUKBYVDYIUEFK-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO CN1C[C@H](CC[NH3+])c2ccc(Cl)cc21 ZINC000071484001 173192979 /nfs/dbraw/zinc/19/29/79/173192979.db2.gz VCOBUVBGNOYTGC-QMMMGPOBSA-N 1 0 210.708 2.222 10 0 BEAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000042560810 173295580 /nfs/dbraw/zinc/29/55/80/173295580.db2.gz MIJSRSPAUUXYRA-VXGBXAGGSA-N 1 0 234.343 2.089 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(F)cc1Cl ZINC000061300352 173318396 /nfs/dbraw/zinc/31/83/96/173318396.db2.gz ZGZRRENDVCIQEY-UHFFFAOYSA-N 1 0 244.697 2.416 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1nc2ccccc2s1 ZINC000061300270 173319813 /nfs/dbraw/zinc/31/98/13/173319813.db2.gz FJRDWULXMULHNV-UHFFFAOYSA-N 1 0 249.339 2.233 10 0 BEAERO C[NH2+]C(C)(C)c1nc2c(s1)CCCC2 ZINC000041060866 173321583 /nfs/dbraw/zinc/32/15/83/173321583.db2.gz FWSWFERGJKJYJT-UHFFFAOYSA-N 1 0 210.346 2.476 10 0 BEAERO C[NH2+]C1(c2nc(C(C)C)cs2)CCOCC1 ZINC000041060741 173322349 /nfs/dbraw/zinc/32/23/49/173322349.db2.gz FZHQMOUXGUKQCT-UHFFFAOYSA-N 1 0 240.372 2.492 10 0 BEAERO C[NH2+]C1CCN([C@@H](C)Cc2ccsc2)CC1 ZINC000049183897 173324409 /nfs/dbraw/zinc/32/44/09/173324409.db2.gz LUKVEWFWEABINI-NSHDSACASA-N 1 0 238.400 2.363 10 0 BEAERO C[NH2+]CC(=O)c1cc2cc(C)ccc2o1 ZINC000082914561 173335731 /nfs/dbraw/zinc/33/57/31/173335731.db2.gz SCYUOPDHOPNIIT-UHFFFAOYSA-N 1 0 203.241 2.143 10 0 BEAERO C[NH2+]CC(=O)c1cc2cccc(C)c2o1 ZINC000082381170 173336798 /nfs/dbraw/zinc/33/67/98/173336798.db2.gz DNRFYWIKXGWACO-UHFFFAOYSA-N 1 0 203.241 2.143 10 0 BEAERO C[NH2+]CC1(Cc2ccsc2)CCOCC1 ZINC000061674051 173337570 /nfs/dbraw/zinc/33/75/70/173337570.db2.gz RILICUKSDYEBMQ-UHFFFAOYSA-N 1 0 225.357 2.307 10 0 BEAERO C[NH2+]CC1(c2cc(C)ccc2OC)CC1 ZINC000053738434 173337579 /nfs/dbraw/zinc/33/75/79/173337579.db2.gz CVSVIDKTNDPWHX-UHFFFAOYSA-N 1 0 205.301 2.255 10 0 BEAERO C[NH2+]CC1(OC[C@H]2CCCO2)CCCCCC1 ZINC000050494829 173337945 /nfs/dbraw/zinc/33/79/45/173337945.db2.gz XJMRGEQRJZUJSC-CYBMUJFWSA-N 1 0 241.375 2.494 10 0 BEAERO C[NH2+]CCCOCc1cc(C)ccc1C ZINC000077300808 173350086 /nfs/dbraw/zinc/35/00/86/173350086.db2.gz FZMXPRYPSNYGHL-UHFFFAOYSA-N 1 0 207.317 2.430 10 0 BEAERO C[NH2+]CCCc1cc(C)c(OC)cc1C ZINC000071510742 173350427 /nfs/dbraw/zinc/35/04/27/173350427.db2.gz UHFLYPBUHWJTAW-UHFFFAOYSA-N 1 0 207.317 2.464 10 0 BEAERO C[NH2+]CCCc1nc2cc(C)ccc2o1 ZINC000037746477 173350643 /nfs/dbraw/zinc/35/06/43/173350643.db2.gz AOVMRLAFHOFKOE-UHFFFAOYSA-N 1 0 204.273 2.288 10 0 BEAERO C[NH2+]CCCc1nc2c(cccc2C)o1 ZINC000038052791 173350710 /nfs/dbraw/zinc/35/07/10/173350710.db2.gz WOEGBMQUWCLEOB-UHFFFAOYSA-N 1 0 204.273 2.288 10 0 BEAERO C[NH2+]CCCc1cn(C)c2ccccc12 ZINC000070631172 173350800 /nfs/dbraw/zinc/35/08/00/173350800.db2.gz NCOZEEZQCJNANU-UHFFFAOYSA-N 1 0 202.301 2.330 10 0 BEAERO C[NH2+]CCCc1nc2ccc(C)cc2o1 ZINC000035279037 173351101 /nfs/dbraw/zinc/35/11/01/173351101.db2.gz MZAFSAFXYVPYSU-UHFFFAOYSA-N 1 0 204.273 2.288 10 0 BEAERO C[NH2+]CCCc1nc2cccc(Cl)c2n1C ZINC000037443650 173351208 /nfs/dbraw/zinc/35/12/08/173351208.db2.gz AWKFFRBPUCVAMC-UHFFFAOYSA-N 1 0 237.734 2.379 10 0 BEAERO C[NH2+]CCOCc1ccc(OC)c(C)c1C ZINC000077336076 173357090 /nfs/dbraw/zinc/35/70/90/173357090.db2.gz CPLPQWYIPWEMIE-UHFFFAOYSA-N 1 0 223.316 2.048 10 0 BEAERO C[NH2+]CC[C@@H](C)n1cnc2ccccc21 ZINC000052576350 173357662 /nfs/dbraw/zinc/35/76/62/173357662.db2.gz JXGRQRWCAAWMBW-SNVBAGLBSA-N 1 0 203.289 2.207 10 0 BEAERO C[NH2+]CCSC(F)(F)C(F)(F)F ZINC000095918296 173357803 /nfs/dbraw/zinc/35/78/03/173357803.db2.gz HDFULCBGTAEWAV-UHFFFAOYSA-N 1 0 209.183 2.094 10 0 BEAERO C[NH2+]CC[C@@H](C)Oc1cccc(N(C)C)c1 ZINC000041241461 173357810 /nfs/dbraw/zinc/35/78/10/173357810.db2.gz OKBMOZQOWKFUCF-LLVKDONJSA-N 1 0 222.332 2.129 10 0 BEAERO C[NH2+]CC[C@@H](C)Oc1ccc(OC)cc1 ZINC000041218747 173357848 /nfs/dbraw/zinc/35/78/48/173357848.db2.gz XFGQWNAKPLRWPX-SNVBAGLBSA-N 1 0 209.289 2.072 10 0 BEAERO C[NH2+]CC[C@H](C)Oc1ccc(OC)cc1 ZINC000041218745 173358614 /nfs/dbraw/zinc/35/86/14/173358614.db2.gz XFGQWNAKPLRWPX-JTQLQIEISA-N 1 0 209.289 2.072 10 0 BEAERO C[NH2+]CC[C@H](O)c1ccc(OC)c(C(C)C)c1 ZINC000049828980 173359075 /nfs/dbraw/zinc/35/90/75/173359075.db2.gz OKPODHCFYMZADO-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO C[NH2+]CCc1ccc(Br)s1 ZINC000053301915 173359845 /nfs/dbraw/zinc/35/98/45/173359845.db2.gz XYYVQHIEVJTBGV-UHFFFAOYSA-N 1 0 220.135 2.273 10 0 BEAERO C[NH2+]CCc1cn(C)c2ccc(F)cc12 ZINC000082593816 173360242 /nfs/dbraw/zinc/36/02/42/173360242.db2.gz ISWBITZDTXFJLV-UHFFFAOYSA-N 1 0 206.264 2.079 10 0 BEAERO C[NH2+]CCc1nc2cc(F)ccc2s1 ZINC000049844254 173361238 /nfs/dbraw/zinc/36/12/38/173361238.db2.gz GNOIZXNNXPLPKP-UHFFFAOYSA-N 1 0 210.277 2.197 10 0 BEAERO C[NH2+]CCc1nnc(-c2c(C)cc(C)cc2C)o1 ZINC000050619493 173361736 /nfs/dbraw/zinc/36/17/36/173361736.db2.gz YGCKXBWQSYEVSB-UHFFFAOYSA-N 1 0 245.326 2.424 10 0 BEAERO C[NH2+]CCc1noc(-c2cccc(Cl)c2)n1 ZINC000051850749 173361740 /nfs/dbraw/zinc/36/17/40/173361740.db2.gz SMDAMNQCDFKBKN-UHFFFAOYSA-N 1 0 237.690 2.152 10 0 BEAERO C[NH2+]C[C@@H](C(C)C)N1CCc2sccc2C1 ZINC000052382832 173361951 /nfs/dbraw/zinc/36/19/51/173361951.db2.gz DUCYBGKATSJGMI-LBPRGKRZSA-N 1 0 238.400 2.350 10 0 BEAERO C[NH2+]C[C@@H](C)COc1ccc2c(c1)CCC2 ZINC000041233306 173363906 /nfs/dbraw/zinc/36/39/06/173363906.db2.gz VQRHSGAEFLOXKQ-LLVKDONJSA-N 1 0 219.328 2.410 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1ncc(Cl)cc1Cl ZINC000051867633 173365022 /nfs/dbraw/zinc/36/50/22/173365022.db2.gz AJWMRSGLHTYVMT-ZCFIWIBFSA-N 1 0 235.114 2.375 10 0 BEAERO C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000055027349 173366215 /nfs/dbraw/zinc/36/62/15/173366215.db2.gz LLSWVASLYHARSF-SECBINFHSA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1CC1CCCC1 ZINC000044412633 173366832 /nfs/dbraw/zinc/36/68/32/173366832.db2.gz IWCGFUHEHHQPPK-ZDUSSCGKSA-N 1 0 210.365 2.251 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)N1CCC[C@H]1C ZINC000052376157 173366910 /nfs/dbraw/zinc/36/69/10/173366910.db2.gz OHHPPQYKJKWKIY-OCCSQVGLSA-N 1 0 218.344 2.431 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccccc2C)C1 ZINC000011892121 173370780 /nfs/dbraw/zinc/37/07/80/173370780.db2.gz MPHQSKDNCHFPRH-LBPRGKRZSA-N 1 0 204.317 2.041 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1cccc(OC)c1 ZINC000054589856 173371782 /nfs/dbraw/zinc/37/17/82/173371782.db2.gz YXAYDAFNPBMMMF-AAEUAGOBSA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C1CC1 ZINC000049820303 173372948 /nfs/dbraw/zinc/37/29/48/173372948.db2.gz FUSPWPIDIRIAHO-LBPRGKRZSA-N 1 0 225.719 2.157 10 0 BEAERO C[NH2+]C[C@@]1(OC2CCOCC2)CCC[C@@H](C)C1 ZINC000050503978 173373352 /nfs/dbraw/zinc/37/33/52/173373352.db2.gz PSYAHNRMTXETPO-TZMCWYRMSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]C[C@@]1(O)CCC(C)(C)c2ccccc21 ZINC000055027403 173373504 /nfs/dbraw/zinc/37/35/04/173373504.db2.gz ROESEJTWGWZTME-AWEZNQCLSA-N 1 0 219.328 2.165 10 0 BEAERO C[NH2+]C[C@H](C)Oc1ccc(F)c(Cl)c1 ZINC000053586542 173376247 /nfs/dbraw/zinc/37/62/47/173376247.db2.gz DEGDHGNUJZEGPD-ZETCQYMHSA-N 1 0 217.671 2.466 10 0 BEAERO C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000011593836 173376269 /nfs/dbraw/zinc/37/62/69/173376269.db2.gz ZHVRELAWIPYAHB-JTQLQIEISA-N 1 0 230.352 2.145 10 0 BEAERO C[NH2+]C[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000052373012 173376348 /nfs/dbraw/zinc/37/63/48/173376348.db2.gz GGARTMZBACEFPE-JSGCOSHPSA-N 1 0 218.344 2.084 10 0 BEAERO C[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000011802972 173377148 /nfs/dbraw/zinc/37/71/48/173377148.db2.gz HUPXFJSEVJMGCV-LBPRGKRZSA-N 1 0 207.317 2.237 10 0 BEAERO C[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000019862028 173377759 /nfs/dbraw/zinc/37/77/59/173377759.db2.gz ZVAIRWNDOBFCGA-LLVKDONJSA-N 1 0 212.724 2.162 10 0 BEAERO C[NH2+]C[C@H](OCC1CC1)c1ccccc1OC ZINC000050485518 173377911 /nfs/dbraw/zinc/37/79/11/173377911.db2.gz UUNHHDKGGULIOW-AWEZNQCLSA-N 1 0 235.327 2.382 10 0 BEAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc(Br)o1 ZINC000054588367 173382556 /nfs/dbraw/zinc/38/25/56/173382556.db2.gz ZALAVZMILSUIDP-RQJHMYQMSA-N 1 0 230.105 2.365 10 0 BEAERO C[NH2+]C[C@H]1C[C@H](O)c2cccc(Cl)c21 ZINC000057939200 173382608 /nfs/dbraw/zinc/38/26/08/173382608.db2.gz CZZORTIBKZLNKG-XCBNKYQSSA-N 1 0 211.692 2.080 10 0 BEAERO C[NH2+]C[C@H]1CC[C@@H](COCC2CCCCC2)O1 ZINC000052708142 173382947 /nfs/dbraw/zinc/38/29/47/173382947.db2.gz MUZBBTYRSVXQEB-KGLIPLIRSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]C[C@H]1C[C@@]1(C)c1ccc(OC)cc1 ZINC000054589655 173382954 /nfs/dbraw/zinc/38/29/54/173382954.db2.gz UCPZVZXSVHBXQL-YPMHNXCESA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000011803624 173383133 /nfs/dbraw/zinc/38/31/33/173383133.db2.gz NAVMVNMPKVEBBF-JTQLQIEISA-N 1 0 234.126 2.420 10 0 BEAERO C[NH2+]C[C@]1(OC[C@@H]2CCCO2)CCC[C@@H](C)C1 ZINC000050504453 173384153 /nfs/dbraw/zinc/38/41/53/173384153.db2.gz COPBYACNDWGKCP-RDBSUJKOSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]Cc1c(C)cc(C)nc1N(C)C(C)C ZINC000051434656 173384401 /nfs/dbraw/zinc/38/44/01/173384401.db2.gz KJDOMNPWNYKEFW-UHFFFAOYSA-N 1 0 221.348 2.262 10 0 BEAERO C[NH2+]Cc1cc(-c2cc(F)ccc2F)n[nH]1 ZINC000050478994 173384691 /nfs/dbraw/zinc/38/46/91/173384691.db2.gz RZGZSFZWIKJTCZ-UHFFFAOYSA-N 1 0 223.226 2.074 10 0 BEAERO C[NH2+]Cc1cc(-c2c(C)nn(C)c2C)cs1 ZINC000042402170 173384717 /nfs/dbraw/zinc/38/47/17/173384717.db2.gz DDEYVQHYUPIZNF-UHFFFAOYSA-N 1 0 235.356 2.485 10 0 BEAERO C[NH2+]Cc1cc(C)ccc1O[C@@H]1CCC[C@H]1O ZINC000071403598 173385663 /nfs/dbraw/zinc/38/56/63/173385663.db2.gz QRBMFYJAEJNBTC-TZMCWYRMSA-N 1 0 235.327 2.007 10 0 BEAERO C[NH2+]Cc1cc(C)ccc1O[C@H]1CCC[C@@H]1O ZINC000071403597 173386041 /nfs/dbraw/zinc/38/60/41/173386041.db2.gz QRBMFYJAEJNBTC-JSGCOSHPSA-N 1 0 235.327 2.007 10 0 BEAERO C[NH2+]Cc1cc(C)nc(-c2ccc(C)cc2)n1 ZINC000054830965 173386420 /nfs/dbraw/zinc/38/64/20/173386420.db2.gz CDJJUQZRKSPDBL-UHFFFAOYSA-N 1 0 227.311 2.480 10 0 BEAERO C[NH2+]Cc1cc(Cn2cc(Cl)cn2)c(C)o1 ZINC000052577293 173387130 /nfs/dbraw/zinc/38/71/30/173387130.db2.gz DZOAKBCTFGAFNG-UHFFFAOYSA-N 1 0 239.706 2.206 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)c2cccnc2)c1 ZINC000036282581 173389661 /nfs/dbraw/zinc/38/96/61/173389661.db2.gz RIMADCDRNDUXKD-UHFFFAOYSA-N 1 0 241.294 2.053 10 0 BEAERO C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000034653477 173390521 /nfs/dbraw/zinc/39/05/21/173390521.db2.gz AFICTBNRGBBEPW-UHFFFAOYSA-N 1 0 228.295 2.380 10 0 BEAERO C[NH2+]Cc1ccnc([C@H]2CCC[C@@H](C)C2)n1 ZINC000054791157 173391202 /nfs/dbraw/zinc/39/12/02/173391202.db2.gz ACFJDPRJKJCXQH-MNOVXSKESA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1cnn(C2CCCCCC2)c1 ZINC000040932643 173393871 /nfs/dbraw/zinc/39/38/71/173393871.db2.gz CUGXEVOMSXZHIH-UHFFFAOYSA-N 1 0 207.321 2.498 10 0 BEAERO C[NH2+]Cc1nc(-c2cc3ccccc3o2)no1 ZINC000062797056 173394601 /nfs/dbraw/zinc/39/46/01/173394601.db2.gz OKTAZEJOFOIKHG-UHFFFAOYSA-N 1 0 229.239 2.202 10 0 BEAERO C[NH2+]Cc1nc2cccc(Br)c2o1 ZINC000062533330 173396011 /nfs/dbraw/zinc/39/60/11/173396011.db2.gz OHDRFVMCNRZQOJ-UHFFFAOYSA-N 1 0 241.088 2.310 10 0 BEAERO C[NH2+]Cc1nc2cc(F)ccc2n1C(C)C ZINC000037439738 173396380 /nfs/dbraw/zinc/39/63/80/173396380.db2.gz UIOZSZXOJUPKGA-UHFFFAOYSA-N 1 0 221.279 2.476 10 0 BEAERO C[NH2+]Cc1ncc(-c2cccc(C)c2)o1 ZINC000077297272 173397151 /nfs/dbraw/zinc/39/71/51/173397151.db2.gz LAIDOBWNMPDCQG-UHFFFAOYSA-N 1 0 202.257 2.369 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccc(OC)cc2OC)o1 ZINC000077420117 173397356 /nfs/dbraw/zinc/39/73/56/173397356.db2.gz IAEKATCTLZZVJE-UHFFFAOYSA-N 1 0 248.282 2.078 10 0 BEAERO C[NH2+]Cc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000050615488 173397778 /nfs/dbraw/zinc/39/77/78/173397778.db2.gz AMMZLUMGSOMFLB-UHFFFAOYSA-N 1 0 217.272 2.073 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(-n2cc(C)cn2)cc1 ZINC000037677440 173419121 /nfs/dbraw/zinc/41/91/21/173419121.db2.gz KXIGYVSFGNISCL-NSHDSACASA-N 1 0 215.300 2.461 10 0 BEAERO C[NH2+][C@@H](CCO)c1ccc(C(C)C)cc1 ZINC000071510646 173422983 /nfs/dbraw/zinc/42/29/83/173422983.db2.gz VSIAVXGJVVMZHC-ZDUSSCGKSA-N 1 0 207.317 2.453 10 0 BEAERO C[NH2+][C@@H](Cc1ccccc1)C1CCOCC1 ZINC000061672975 173425519 /nfs/dbraw/zinc/42/55/19/173425519.db2.gz ZIBMTFQVFZIKGU-AWEZNQCLSA-N 1 0 219.328 2.244 10 0 BEAERO C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCCOC1 ZINC000062231085 173428255 /nfs/dbraw/zinc/42/82/55/173428255.db2.gz JDORJCOMYFPCOS-JSGCOSHPSA-N 1 0 235.327 2.382 10 0 BEAERO C[NH2+][C@@H](c1ccc2c(c1)COC2)[C@@H]1CCCOC1 ZINC000062332772 173428341 /nfs/dbraw/zinc/42/83/41/173428341.db2.gz ZNBOLNPJTKVXLB-HIFRSBDPSA-N 1 0 247.338 2.404 10 0 BEAERO C[NH2+][C@@H]1CCOC[C@@H]1Oc1ccccc1Cl ZINC000049959748 173437489 /nfs/dbraw/zinc/43/74/89/173437489.db2.gz KFIMOKNZWMGZGX-PWSUYJOCSA-N 1 0 241.718 2.096 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccc3ncccc3c2)C1 ZINC000054108234 173437981 /nfs/dbraw/zinc/43/79/81/173437981.db2.gz DCPVYTYMYYHJCF-GFCCVEGCSA-N 1 0 227.311 2.033 10 0 BEAERO C[NH2+][C@@](C)(CO)c1ccc2ccccc2c1 ZINC000038121125 173440590 /nfs/dbraw/zinc/44/05/90/173440590.db2.gz XRXBMOIDPUEQIF-AWEZNQCLSA-N 1 0 215.296 2.267 10 0 BEAERO C[NH2+][C@H](C)c1cc(F)ccc1-n1cccn1 ZINC000034665234 173448148 /nfs/dbraw/zinc/44/81/48/173448148.db2.gz JMJBZOSLPNTBEB-SECBINFHSA-N 1 0 219.263 2.292 10 0 BEAERO C[NH2+][C@H](C)c1ccc(Sc2nc[nH]n2)cc1 ZINC000034663991 173449374 /nfs/dbraw/zinc/44/93/74/173449374.db2.gz SGEYPGGXVOHVGL-MRVPVSSYSA-N 1 0 234.328 2.236 10 0 BEAERO C[NH2+][C@H](CC(C)C)c1ccc2c(c1)CC(=O)N2 ZINC000035495844 173451197 /nfs/dbraw/zinc/45/11/97/173451197.db2.gz WVNSMHLZBSCGJJ-CYBMUJFWSA-N 1 0 232.327 2.488 10 0 BEAERO C[NH2+][C@H](CC1CCOCC1)c1ccncc1 ZINC000053822332 173452194 /nfs/dbraw/zinc/45/21/94/173452194.db2.gz ANSNVMNQIRIZFT-CYBMUJFWSA-N 1 0 220.316 2.159 10 0 BEAERO C[NH2+][C@H](Cc1cccs1)[C@@H]1CCCOC1 ZINC000062237373 173455416 /nfs/dbraw/zinc/45/54/16/173455416.db2.gz ASAQPRUYPMNZIH-ZYHUDNBSSA-N 1 0 225.357 2.305 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(SC)cc2)C1 ZINC000037483408 173466767 /nfs/dbraw/zinc/46/67/67/173466767.db2.gz PYAVTYVVVZOVEE-JTQLQIEISA-N 1 0 222.357 2.207 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(C)c2C)C1 ZINC000037241810 173467047 /nfs/dbraw/zinc/46/70/47/173467047.db2.gz OHXPRGZGMZWGNP-LBPRGKRZSA-N 1 0 204.317 2.102 10 0 BEAERO C[NH2+][C@]12CC=CC[C@@H]1COc1ccccc12 ZINC000003782936 173470731 /nfs/dbraw/zinc/47/07/31/173470731.db2.gz JIYZXKWBRCTZDS-BXUZGUMPSA-N 1 0 215.296 2.460 10 0 BEAERO COC(=O)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577717 173633894 /nfs/dbraw/zinc/63/38/94/173633894.db2.gz MDBQPOHJVRTKSM-QMMMGPOBSA-N 1 0 243.253 2.006 10 0 BEAERO COC(=O)Cc1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000075905557 173643445 /nfs/dbraw/zinc/64/34/45/173643445.db2.gz OJSQZWKXYYHUCJ-ZDUSSCGKSA-N 1 0 233.311 2.217 10 0 BEAERO COC(=O)N(c1ccc(C[NH3+])cc1)C(C)C ZINC000034655140 173650558 /nfs/dbraw/zinc/65/05/58/173650558.db2.gz YUNTZXOQUYSBGX-UHFFFAOYSA-N 1 0 222.288 2.127 10 0 BEAERO COC(=O)Nc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041257 173663060 /nfs/dbraw/zinc/66/30/60/173663060.db2.gz BBIITPGBQJRLLG-UHFFFAOYSA-N 1 0 249.314 2.029 10 0 BEAERO COC(=O)c1ccc([C@H]2CCC[NH2+]2)cc1F ZINC000095917913 173889136 /nfs/dbraw/zinc/88/91/36/173889136.db2.gz DGTTXRDABOFWCR-LLVKDONJSA-N 1 0 223.247 2.037 10 0 BEAERO COC1(C[C@H](C)[NH2+][C@@H]2CCO[C@H]2C)CCC1 ZINC000336757997 174009221 /nfs/dbraw/zinc/00/92/21/174009221.db2.gz HZGAERVNSGIVCL-SDDRHHMPSA-N 1 0 227.348 2.101 10 0 BEAERO COC1CC[NH+](C2(CN)CCCCCC2)CC1 ZINC000037265965 174028751 /nfs/dbraw/zinc/02/87/51/174028751.db2.gz DYRAEEPIQDIHRO-UHFFFAOYSA-N 1 0 240.391 2.149 10 0 BEAERO COC1CCN([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000053490641 174029529 /nfs/dbraw/zinc/02/95/29/174029529.db2.gz SULYHJVVWZQBNP-GFCCVEGCSA-N 1 0 240.391 2.018 10 0 BEAERO COC1CC[NH+]([C@@H]2CCCCCC[C@@H]2N)CC1 ZINC000037266215 174030273 /nfs/dbraw/zinc/03/02/73/174030273.db2.gz DATWMZZAIDNYMS-UONOGXRCSA-N 1 0 240.391 2.147 10 0 BEAERO COCCC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945058 174248549 /nfs/dbraw/zinc/24/85/49/174248549.db2.gz XGLSPVVKPJRVSY-UHFFFAOYSA-N 1 0 232.327 2.304 10 0 BEAERO COCCCO[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000037747207 174255755 /nfs/dbraw/zinc/25/57/55/174255755.db2.gz UQBGBWCNBWCZCX-KGLIPLIRSA-N 1 0 235.327 2.054 10 0 BEAERO COCCCO[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042974215 174255761 /nfs/dbraw/zinc/25/57/61/174255761.db2.gz ODQGMSQZGHXCFU-GWCFXTLKSA-N 1 0 241.306 2.267 10 0 BEAERO COCCCO[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042942597 174256223 /nfs/dbraw/zinc/25/62/23/174256223.db2.gz UGMZIGCFPLPUFP-GWCFXTLKSA-N 1 0 241.306 2.267 10 0 BEAERO COCCCO[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043048720 174256476 /nfs/dbraw/zinc/25/64/76/174256476.db2.gz MJNDQUTYPUHIIL-ZWNOBZJWSA-N 1 0 241.306 2.267 10 0 BEAERO COCC[N@H+](C1CC1)[C@@]1(CN)CCCC[C@@H]1C ZINC000042517900 174285240 /nfs/dbraw/zinc/28/52/40/174285240.db2.gz FEMBKSWMOJKWQO-GXTWGEPZSA-N 1 0 240.391 2.005 10 0 BEAERO COCCN(C[C@@H]([NH3+])c1ccc(C)cc1)C1CC1 ZINC000042518138 174297319 /nfs/dbraw/zinc/29/73/19/174297319.db2.gz OYZSGJBWPZHYNN-OAHLLOKOSA-N 1 0 248.370 2.106 10 0 BEAERO COCC[N@H+](C[C@@H]1CCCC1=O)[C@H](C)C1CC1 ZINC000053929852 174298238 /nfs/dbraw/zinc/29/82/38/174298238.db2.gz AETCGBSSEROLQF-YPMHNXCESA-N 1 0 239.359 2.103 10 0 BEAERO COCCN1CC(C)(C)[NH2+]Cc2ccccc21 ZINC000062617326 174304251 /nfs/dbraw/zinc/30/42/51/174304251.db2.gz UAFHEUWOQJPQIJ-UHFFFAOYSA-N 1 0 234.343 2.021 10 0 BEAERO COCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076075355 174306091 /nfs/dbraw/zinc/30/60/91/174306091.db2.gz RQRPFITWNQVDNJ-CABCVRRESA-N 1 0 249.354 2.221 10 0 BEAERO COCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494695 174308966 /nfs/dbraw/zinc/30/89/66/174308966.db2.gz QIVJWYXLJPENSE-CYBMUJFWSA-N 1 0 209.333 2.455 10 0 BEAERO COCC[N@@H+]1C[C@H]2C[C@@]2(c2ccc(C)cc2)C1 ZINC000034893562 174318562 /nfs/dbraw/zinc/31/85/62/174318562.db2.gz GJSHPRWWDRKXBZ-CABCVRRESA-N 1 0 231.339 2.215 10 0 BEAERO COCC[NH2+]CC(C)(C)c1ccc(OC)cc1 ZINC000053738561 174332184 /nfs/dbraw/zinc/33/21/84/174332184.db2.gz AZECFEGPMGGIDS-UHFFFAOYSA-N 1 0 237.343 2.209 10 0 BEAERO COCC[NH2+]CCOc1ccc2c(c1)CCCC2 ZINC000041304442 174333140 /nfs/dbraw/zinc/33/31/40/174333140.db2.gz HXPFCSCFGOCBLO-UHFFFAOYSA-N 1 0 249.354 2.180 10 0 BEAERO COCC[C@@H]([NH3+])c1cccc2cnccc21 ZINC000061124310 174392809 /nfs/dbraw/zinc/39/28/09/174392809.db2.gz AMNJFYCFPCNNSR-CYBMUJFWSA-N 1 0 216.284 2.271 10 0 BEAERO COCC[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000043648860 174398556 /nfs/dbraw/zinc/39/85/56/174398556.db2.gz VJGCLIOQRUBRFI-WCQYABFASA-N 1 0 205.301 2.285 10 0 BEAERO COCC[C@](C)([NH3+])c1cc(C)ccc1F ZINC000055198458 174420128 /nfs/dbraw/zinc/42/01/28/174420128.db2.gz BLMWZPLVUKECBI-LBPRGKRZSA-N 1 0 211.280 2.345 10 0 BEAERO COC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCN2 ZINC000042519603 174446992 /nfs/dbraw/zinc/44/69/92/174446992.db2.gz WWGWUIVIQYTTJG-LLVKDONJSA-N 1 0 234.343 2.121 10 0 BEAERO COC[C@@H](C)[NH2+]CCOc1ccc(C)c(C)c1 ZINC000053566490 174456376 /nfs/dbraw/zinc/45/63/76/174456376.db2.gz SFVNCYOECOCHFJ-CYBMUJFWSA-N 1 0 237.343 2.307 10 0 BEAERO COc1cc(C)c([C@@H](O)C[NH2+]C2CC2)cc1C ZINC000049827507 174961148 /nfs/dbraw/zinc/96/11/48/174961148.db2.gz WJSDSDUCJOXZDH-ZDUSSCGKSA-N 1 0 235.327 2.097 10 0 BEAERO COc1cc(CCC[NH3+])cc2[nH]ccc21 ZINC000074205125 174977858 /nfs/dbraw/zinc/97/78/58/174977858.db2.gz XPGNMZCKUBEIHQ-UHFFFAOYSA-N 1 0 204.273 2.068 10 0 BEAERO COc1cc(OC)c([C@@H](C)[NH3+])cc1Cl ZINC000003705375 175008229 /nfs/dbraw/zinc/00/82/29/175008229.db2.gz SRNYHULKSHNBCV-ZCFIWIBFSA-N 1 0 215.680 2.377 10 0 BEAERO COc1cc(OC)c2c(c1)[C@H]([NH3+])CCCC2 ZINC000019727440 175009432 /nfs/dbraw/zinc/00/94/32/175009432.db2.gz CLKKNWUDWOKPQY-GFCCVEGCSA-N 1 0 221.300 2.430 10 0 BEAERO COc1cc(OC)cc([C@H]2CCC[NH2+]C2)c1 ZINC000044135474 175010859 /nfs/dbraw/zinc/01/08/59/175010859.db2.gz WHDKWFSFTUSVPW-JTQLQIEISA-N 1 0 221.300 2.171 10 0 BEAERO COc1cc(SC)cc(OC)c1C[C@@H](C)[NH3+] ZINC000013641817 175013159 /nfs/dbraw/zinc/01/31/59/175013159.db2.gz OAFDDZCNQLOKNK-MRVPVSSYSA-N 1 0 241.356 2.315 10 0 BEAERO COc1cc([C@H](C)[NH2+][C@H](C)CCO)ccc1F ZINC000124022956 175016153 /nfs/dbraw/zinc/01/61/53/175016153.db2.gz IEBFSFQMOKVPMW-ZJUUUORDSA-N 1 0 241.306 2.256 10 0 BEAERO COc1cc([C@H]2C[C@H](C)C[NH2+]2)ccc1O ZINC000003705194 175016533 /nfs/dbraw/zinc/01/65/33/175016533.db2.gz WTTBMYUITMZBTK-WCBMZHEXSA-N 1 0 207.273 2.071 10 0 BEAERO COc1cc2c(cc1Br)C[NH2+]CC2 ZINC000071494752 175020849 /nfs/dbraw/zinc/02/08/49/175020849.db2.gz WHHDAOAVGDCKCV-UHFFFAOYSA-N 1 0 242.116 2.103 10 0 BEAERO COc1cc2c(cc1F)[nH+]c(N)n2CC(C)C ZINC000104131534 175022873 /nfs/dbraw/zinc/02/28/73/175022873.db2.gz XZRIOOMAKHUHRQ-UHFFFAOYSA-N 1 0 237.278 2.422 10 0 BEAERO COc1cc2[nH+]c3c(c(N)c2cc1OC)CCC3 ZINC000050870072 175028551 /nfs/dbraw/zinc/02/85/51/175028551.db2.gz UYHZZGHDOJFIBJ-UHFFFAOYSA-N 1 0 244.294 2.323 10 0 BEAERO COc1cc2[nH+]c(N)n(C(C)C)c2cc1OC ZINC000075415210 175028634 /nfs/dbraw/zinc/02/86/34/175028634.db2.gz CNXYDNZTCLWYDG-UHFFFAOYSA-N 1 0 235.287 2.217 10 0 BEAERO COc1ccc(-c2nc([C@H](C)[NH3+])c[nH]2)cc1OC ZINC000082517123 175039686 /nfs/dbraw/zinc/03/96/86/175039686.db2.gz OOGVBOPZICEFPB-QMMMGPOBSA-N 1 0 247.298 2.114 10 0 BEAERO COc1ccc(-n2ncc3c2CCC[C@@H]3[NH3+])cc1 ZINC000066055224 175044985 /nfs/dbraw/zinc/04/49/85/175044985.db2.gz AHVNFUAAVVNUGD-ZDUSSCGKSA-N 1 0 243.310 2.217 10 0 BEAERO COc1ccc(/C(C)=C/CC[NH3+])c(OC)c1 ZINC000041237589 175045397 /nfs/dbraw/zinc/04/53/97/175045397.db2.gz RARSPLFPXMAZAH-BJMVGYQFSA-N 1 0 221.300 2.456 10 0 BEAERO COc1ccc(C(N)=[NH2+])c(Cl)c1Cl ZINC000083256579 175052240 /nfs/dbraw/zinc/05/22/40/175052240.db2.gz YIKFBZRAOCCDQN-UHFFFAOYSA-N 1 0 219.071 2.286 10 0 BEAERO COc1ccc(C(=O)[C@@H]([NH3+])CC(C)C)cc1F ZINC000036164228 175065289 /nfs/dbraw/zinc/06/52/89/175065289.db2.gz WZGDDZJENYOHCI-NSHDSACASA-N 1 0 239.290 2.390 10 0 BEAERO COc1ccc(C(=O)[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000071549734 175066228 /nfs/dbraw/zinc/06/62/28/175066228.db2.gz FZOHHNGKFNUIOJ-LLVKDONJSA-N 1 0 239.702 2.283 10 0 BEAERO COc1ccc(C)cc1COCC(C)(C)[NH3+] ZINC000070837817 175076071 /nfs/dbraw/zinc/07/60/71/175076071.db2.gz LKECVCQEXDMHHI-UHFFFAOYSA-N 1 0 223.316 2.258 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])Cn1ccnc1C ZINC000023070234 175079956 /nfs/dbraw/zinc/07/99/56/175079956.db2.gz OFZKVVNJRALBNL-ZDUSSCGKSA-N 1 0 245.326 2.209 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])CN1CCCCC1 ZINC000022563846 175080119 /nfs/dbraw/zinc/08/01/19/175080119.db2.gz VMDROYCUKBMDRI-AWEZNQCLSA-N 1 0 248.370 2.489 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+][C@@H](C)C1CC1 ZINC000037889616 175080256 /nfs/dbraw/zinc/08/02/56/175080256.db2.gz YDRTXXQDQKAWRA-FZMZJTMJSA-N 1 0 249.354 2.425 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccncc1 ZINC000011832509 175080346 /nfs/dbraw/zinc/08/03/46/175080346.db2.gz NUFNRLSQPNGACK-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc(C)cc1[C@@H]1C[NH2+][C@@H](C)CO1 ZINC000036673452 175080369 /nfs/dbraw/zinc/08/03/69/175080369.db2.gz ZPBUEGBBIKKHAP-GWCFXTLKSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)C[NH+]1CCCC1 ZINC000042244542 175080480 /nfs/dbraw/zinc/08/04/80/175080480.db2.gz ZSRWMKBCVIWBGX-ZDUSSCGKSA-N 1 0 235.327 2.133 10 0 BEAERO COc1ccc(C)cc1[C@]1(C)CC[NH2+]C1 ZINC000051955299 175083032 /nfs/dbraw/zinc/08/30/32/175083032.db2.gz AFAFHTUATCFRFV-CYBMUJFWSA-N 1 0 205.301 2.255 10 0 BEAERO COc1ccc(C2(C)CC[NH2+]CC2)cc1F ZINC000057516083 175083740 /nfs/dbraw/zinc/08/37/40/175083740.db2.gz FHRXXCQOXAPGDO-UHFFFAOYSA-N 1 0 223.291 2.475 10 0 BEAERO COc1ccc(C2(C[NH3+])CC2)cc1Cl ZINC000071518412 175084228 /nfs/dbraw/zinc/08/42/28/175084228.db2.gz FAJLAZQONBREJU-UHFFFAOYSA-N 1 0 211.692 2.339 10 0 BEAERO COc1ccc(CC(C)(C)C[NH3+])cc1F ZINC000049814992 175087229 /nfs/dbraw/zinc/08/72/29/175087229.db2.gz PNAJUWNPSTWNFN-UHFFFAOYSA-N 1 0 211.280 2.362 10 0 BEAERO COc1ccc(CC[NH3+])cc1OCC(F)(F)F ZINC000037721739 175090772 /nfs/dbraw/zinc/09/07/72/175090772.db2.gz KUXVNOVGKSCJRJ-UHFFFAOYSA-N 1 0 249.232 2.138 10 0 BEAERO COc1ccc(CC[C@]2(C)C[C@H]2[NH3+])cc1 ZINC000052126299 175093550 /nfs/dbraw/zinc/09/35/50/175093550.db2.gz UNABQZPCYCDAKE-CHWSQXEVSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccc(CC[C@@]2(C)C[C@@H]2[NH3+])cc1 ZINC000052126296 175093995 /nfs/dbraw/zinc/09/39/95/175093995.db2.gz UNABQZPCYCDAKE-STQMWFEESA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccc(CN2CC(C)(C)[NH2+]C[C@@H]2C)cc1 ZINC000041302230 175098110 /nfs/dbraw/zinc/09/81/10/175098110.db2.gz XKJHKNKAUJUELL-LBPRGKRZSA-N 1 0 248.370 2.268 10 0 BEAERO COc1ccc(C[NH2+][C@H](C)CO)cc1C(C)C ZINC000098126246 175111359 /nfs/dbraw/zinc/11/13/59/175111359.db2.gz VPTZDHQNVZYBSS-LLVKDONJSA-N 1 0 237.343 2.289 10 0 BEAERO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)cc1 ZINC000037876777 175112020 /nfs/dbraw/zinc/11/20/20/175112020.db2.gz PVLZFVTWNBEGKA-GJZGRUSLSA-N 1 0 249.354 2.478 10 0 BEAERO COc1ccc(C[C@@H](C[NH3+])C2CC2)cc1OC ZINC000041266184 175115457 /nfs/dbraw/zinc/11/54/57/175115457.db2.gz XCFLVNWHOXNJMH-LBPRGKRZSA-N 1 0 235.327 2.231 10 0 BEAERO COc1ccc(C[C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000041242701 175115652 /nfs/dbraw/zinc/11/56/52/175115652.db2.gz RSKOQQKEBNGNTR-NXEZZACHSA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc(C[C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000041242707 175116045 /nfs/dbraw/zinc/11/60/45/175116045.db2.gz RSKOQQKEBNGNTR-ZJUUUORDSA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc(C[C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000041242698 175116864 /nfs/dbraw/zinc/11/68/64/175116864.db2.gz RSKOQQKEBNGNTR-VHSXEESVSA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc(C[C@H](O)CC[NH3+])cc1C(C)C ZINC000041278983 175116924 /nfs/dbraw/zinc/11/69/24/175116924.db2.gz IZLLAZDFLLVEJW-GFCCVEGCSA-N 1 0 237.343 2.071 10 0 BEAERO COc1ccc(Cl)c2c1CC[C@@H]([NH3+])C2 ZINC000029212764 175118598 /nfs/dbraw/zinc/11/85/98/175118598.db2.gz WSEJCMUVXHDUTI-SSDOTTSWSA-N 1 0 211.692 2.165 10 0 BEAERO COc1ccc(Cl)cc1[C@@H]1CC[NH2+]C1 ZINC000049815066 175122369 /nfs/dbraw/zinc/12/23/69/175122369.db2.gz GHHKFBXEDLKXCW-MRVPVSSYSA-N 1 0 211.692 2.426 10 0 BEAERO COc1ccc(F)c(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000293421952 175125453 /nfs/dbraw/zinc/12/54/53/175125453.db2.gz AMSUYYRATSQAHD-PRHODGIISA-N 1 0 209.264 2.332 10 0 BEAERO COc1ccc(F)c(F)c1C(C)(C)[NH3+] ZINC000075925410 175125976 /nfs/dbraw/zinc/12/59/76/175125976.db2.gz JCHCZLZSAOTWAO-UHFFFAOYSA-N 1 0 201.216 2.167 10 0 BEAERO COc1ccc(F)cc1[C@@H](CCC[NH3+])OC ZINC000049820807 175132410 /nfs/dbraw/zinc/13/24/10/175132410.db2.gz QWECUNAVENALNM-LLVKDONJSA-N 1 0 227.279 2.261 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000062230751 175132685 /nfs/dbraw/zinc/13/26/85/175132685.db2.gz KROJTLYVVPAFCR-RNCFNFMXSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc(F)cc1[C@@H](O)C[NH2+]C(C)(C)C ZINC000049830561 175133360 /nfs/dbraw/zinc/13/33/60/175133360.db2.gz NHPUFXUSROOMLK-NSHDSACASA-N 1 0 241.306 2.256 10 0 BEAERO COc1ccc(N2Cc3ccccc3C2=N)cn1 ZINC000020078811 175140208 /nfs/dbraw/zinc/14/02/08/175140208.db2.gz DAYZBDYCQDMZBK-UHFFFAOYSA-N 1 0 239.278 2.436 10 0 BEAERO COc1ccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000019430481 175147692 /nfs/dbraw/zinc/14/76/92/175147692.db2.gz YHDGNEINAYTTRI-QWRGUYRKSA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccc(N[C@@H](C)[C@H]2CCC[N@H+](C)C2)cn1 ZINC000037208586 175153255 /nfs/dbraw/zinc/15/32/55/175153255.db2.gz RVNIBTWOIABYIG-RYUDHWBXSA-N 1 0 249.358 2.232 10 0 BEAERO COc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000020441139 175154487 /nfs/dbraw/zinc/15/44/87/175154487.db2.gz INPKGLAUMXOZPT-CQSZACIVSA-N 1 0 232.327 2.201 10 0 BEAERO COc1ccc(N[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000061566819 175155632 /nfs/dbraw/zinc/15/56/32/175155632.db2.gz HBPWJTRMWANYGF-NSHDSACASA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(OC)c([C@@H]2CCC[C@H]2[NH3+])c1 ZINC000055235024 175167588 /nfs/dbraw/zinc/16/75/88/175167588.db2.gz MBADPFHDANYCQP-CMPLNLGQSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(OC)c([C@@H]([NH3+])C2CC2)c1 ZINC000003739207 175167788 /nfs/dbraw/zinc/16/77/88/175167788.db2.gz CCDUCJZVHRPZPE-LBPRGKRZSA-N 1 0 207.273 2.114 10 0 BEAERO COc1ccc(OC)c([C@@H]2[C@@H](C[NH3+])C2(C)C)c1 ZINC000076682587 175167975 /nfs/dbraw/zinc/16/79/75/175167975.db2.gz USVHRTBFDXOTGM-DGCLKSJQSA-N 1 0 235.327 2.402 10 0 BEAERO COc1ccc(OC)c([C@H]2CC[NH2+][C@@H]2C)c1 ZINC000051954180 175168587 /nfs/dbraw/zinc/16/85/87/175168587.db2.gz GJFVUUUZGGTNBN-KOLCDFICSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc(OC)c([C@H]2[C@H](C[NH3+])C2(C)C)c1 ZINC000076682582 175169658 /nfs/dbraw/zinc/16/96/58/175169658.db2.gz USVHRTBFDXOTGM-AAEUAGOBSA-N 1 0 235.327 2.402 10 0 BEAERO COc1ccc(OC)c2c1CCCC[C@@H]2[NH3+] ZINC000019727444 175170846 /nfs/dbraw/zinc/17/08/46/175170846.db2.gz LXYUWDXJHHKIIZ-JTQLQIEISA-N 1 0 221.300 2.430 10 0 BEAERO COc1ccc(OC)c2c1CCC[C@H]2[NH3+] ZINC000001998463 175170890 /nfs/dbraw/zinc/17/08/90/175170890.db2.gz BFKGQFXJSRWVQK-SECBINFHSA-N 1 0 207.273 2.040 10 0 BEAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1Cl ZINC000036164521 175181215 /nfs/dbraw/zinc/18/12/15/175181215.db2.gz YIUACKDQIXJFSZ-CMPLNLGQSA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000083140134 175181238 /nfs/dbraw/zinc/18/12/38/175181238.db2.gz KUXNOPDPVSBTJW-RISCZKNCSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc([C@@H](O)[C@@H](C)[NH2+]C(C)C)cc1 ZINC000071525170 175181324 /nfs/dbraw/zinc/18/13/24/175181324.db2.gz KAFNZCFDPJAQFW-MFKMUULPSA-N 1 0 223.316 2.115 10 0 BEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C2CC2)cc1 ZINC000042960667 175181951 /nfs/dbraw/zinc/18/19/51/175181951.db2.gz HOYLQPRHMUUTMS-QMTHXVAHSA-N 1 0 234.343 2.178 10 0 BEAERO COc1ccc([C@@H]2CC[C@@H]([NH3+])C2)c(OC)c1 ZINC000057513885 175183572 /nfs/dbraw/zinc/18/35/72/175183572.db2.gz RNNHWAPUVXCBNI-NXEZZACHSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1OC ZINC000070586822 175184159 /nfs/dbraw/zinc/18/41/59/175184159.db2.gz MXUAFHLBUPMWPY-KOLCDFICSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)c(OC)c1 ZINC000003704334 175184167 /nfs/dbraw/zinc/18/41/67/175184167.db2.gz GPCUARDWADMSDK-SKDRFNHKSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]2[NH3+])cc1Br ZINC000038052474 175184743 /nfs/dbraw/zinc/18/47/43/175184743.db2.gz TVAMLWWUHJYULX-CBAPKCEASA-N 1 0 242.116 2.272 10 0 BEAERO COc1ccc([C@H](C[NH3+])n2nc(C)cc2C)cc1 ZINC000042962266 175190889 /nfs/dbraw/zinc/19/08/89/175190889.db2.gz DAHIACQQMPYIBH-AWEZNQCLSA-N 1 0 245.326 2.057 10 0 BEAERO COc1ccc([C@H]([NH3+])COC(C)C)cc1OC ZINC000019270166 175191810 /nfs/dbraw/zinc/19/18/10/175191810.db2.gz YCHZLLVTGTYMOR-LLVKDONJSA-N 1 0 239.315 2.129 10 0 BEAERO COc1ccc([C@H]([NH3+])c2cc(C)ccn2)cc1 ZINC000104411141 175192877 /nfs/dbraw/zinc/19/28/77/175192877.db2.gz ASPJOEGORDETAM-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc([C@H](O)CC[NH2+]C(C)C)cc1F ZINC000049830570 175193596 /nfs/dbraw/zinc/19/35/96/175193596.db2.gz MFTHVJAGFIKVHW-GFCCVEGCSA-N 1 0 241.306 2.256 10 0 BEAERO COc1ccc([C@H](O)C[NH2+]C(C)C)cc1Cl ZINC000049831571 175193773 /nfs/dbraw/zinc/19/37/73/175193773.db2.gz CRADBRHXFXXGQZ-LLVKDONJSA-N 1 0 243.734 2.380 10 0 BEAERO COc1ccc([C@H]([C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000042960000 175193985 /nfs/dbraw/zinc/19/39/85/175193985.db2.gz QSBOOVHAANSDJY-RISCZKNCSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccc([C@H](OCC[NH3+])C2CC2)cc1F ZINC000071549333 175194045 /nfs/dbraw/zinc/19/40/45/175194045.db2.gz GTXNGGQLZXSIBT-CYBMUJFWSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc([C@H]2CCC[NH2+]C2)c(F)c1F ZINC000216077267 175194796 /nfs/dbraw/zinc/19/47/96/175194796.db2.gz GBJKNXHNLCWFKG-QMMMGPOBSA-N 1 0 227.254 2.440 10 0 BEAERO COc1ccc([C@H]2CC[NH2+][C@H]2C)cc1F ZINC000077303098 175195598 /nfs/dbraw/zinc/19/55/98/175195598.db2.gz HQBDEDMVVPGGDX-WPRPVWTQSA-N 1 0 209.264 2.300 10 0 BEAERO COc1ccc([C@H]2CSCC[NH2+]2)cc1OC ZINC000041282379 175196387 /nfs/dbraw/zinc/19/63/87/175196387.db2.gz DZIOLAATOQBOKU-SNVBAGLBSA-N 1 0 239.340 2.081 10 0 BEAERO COc1ccc([C@H]2[C@H](C[NH3+])C2(C)C)cc1OC ZINC000076682593 175198903 /nfs/dbraw/zinc/19/89/03/175198903.db2.gz FMNKCRMRHBDCKZ-GWCFXTLKSA-N 1 0 235.327 2.402 10 0 BEAERO COc1ccc2[nH]cc(C(C)(C)C[NH3+])c2c1 ZINC000082597234 175202065 /nfs/dbraw/zinc/20/20/65/175202065.db2.gz RDXJZGGKAQSDSD-UHFFFAOYSA-N 1 0 218.300 2.413 10 0 BEAERO COc1ccc2c(c1)CCC1(CC[NH2+]CC1)O2 ZINC000036141542 175208183 /nfs/dbraw/zinc/20/81/83/175208183.db2.gz MXXLCWSIIOEHFN-UHFFFAOYSA-N 1 0 233.311 2.142 10 0 BEAERO COc1ccc2c(c1)CC[C@H](n1cccn1)[C@@H]2[NH3+] ZINC000019270984 175209934 /nfs/dbraw/zinc/20/99/34/175209934.db2.gz COYSHJQTPLECRV-UONOGXRCSA-N 1 0 243.310 2.079 10 0 BEAERO COc1ccc2c(c1)CC[NH2+][C@H]2c1ccncc1 ZINC000019625659 175209979 /nfs/dbraw/zinc/20/99/79/175209979.db2.gz YTQCJMMJKRBJGA-HNNXBMFYSA-N 1 0 240.306 2.325 10 0 BEAERO COc1ccc2c(c1)nc(C[NH3+])n2C(C)C ZINC000074297592 175220124 /nfs/dbraw/zinc/22/01/24/175220124.db2.gz OZHVDEPIRNCSCE-UHFFFAOYSA-N 1 0 219.288 2.085 10 0 BEAERO COc1ccc2c(c1OC)CCC[C@@H]2[NH3+] ZINC000036156192 175221622 /nfs/dbraw/zinc/22/16/22/175221622.db2.gz WOADEMZTZBTFMH-JTQLQIEISA-N 1 0 207.273 2.040 10 0 BEAERO COc1ccc2c(ccn2C[C@@H](C)C[NH3+])c1 ZINC000036986949 175222524 /nfs/dbraw/zinc/22/25/24/175222524.db2.gz RWDILPQADBGOIC-JTQLQIEISA-N 1 0 218.300 2.245 10 0 BEAERO COc1ccc2c(c1OC)OC(C)(C)C[C@H]2[NH3+] ZINC000011848979 175222543 /nfs/dbraw/zinc/22/25/43/175222543.db2.gz JFGLESYTHHUHNS-SECBINFHSA-N 1 0 237.299 2.265 10 0 BEAERO COc1ccc2cc(C[NH2+]C3COC3)ccc2c1 ZINC000094710201 175224633 /nfs/dbraw/zinc/22/46/33/175224633.db2.gz SNTFASLJGCMAID-UHFFFAOYSA-N 1 0 243.306 2.337 10 0 BEAERO COc1ccc2ccnc(NCCC[NH3+])c2c1 ZINC000082766038 175226783 /nfs/dbraw/zinc/22/67/83/175226783.db2.gz AQAGWQDGRFSOBH-UHFFFAOYSA-N 1 0 231.299 2.004 10 0 BEAERO COc1ccc2oc([C@@H](C)CC[NH3+])nc2c1 ZINC000083016169 175231648 /nfs/dbraw/zinc/23/16/48/175231648.db2.gz OKHATNIQKLHBTJ-QMMMGPOBSA-N 1 0 220.272 2.289 10 0 BEAERO COc1ccc2oc([C@H]([NH3+])C(C)C)nc2c1 ZINC000075854413 175232450 /nfs/dbraw/zinc/23/24/50/175232450.db2.gz KBHXAWDNSDWYPR-LLVKDONJSA-N 1 0 220.272 2.492 10 0 BEAERO COc1cccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000295106494 175258279 /nfs/dbraw/zinc/25/82/79/175258279.db2.gz VOHPPNWFUOTSAT-RISCZKNCSA-N 1 0 235.327 2.040 10 0 BEAERO COc1cccc(COC[C@H]2CCCC[NH2+]2)c1 ZINC000055364143 175269542 /nfs/dbraw/zinc/26/95/42/175269542.db2.gz OIBMKUSMMLNLRZ-CYBMUJFWSA-N 1 0 235.327 2.354 10 0 BEAERO COc1cccc(C[C@@H](C)[NH3+])c1OCC1CC1 ZINC000037727817 175270852 /nfs/dbraw/zinc/27/08/52/175270852.db2.gz GPNVAHSGLNZBTH-SNVBAGLBSA-N 1 0 235.327 2.374 10 0 BEAERO COc1cccc(F)c1-c1nc(C[NH3+])cs1 ZINC000083365629 175273405 /nfs/dbraw/zinc/27/34/05/175273405.db2.gz DCODOQAHDWWYKB-UHFFFAOYSA-N 1 0 238.287 2.417 10 0 BEAERO COc1cccc(N(C)Cc2ccc(C[NH3+])o2)c1 ZINC000052516704 175275110 /nfs/dbraw/zinc/27/51/10/175275110.db2.gz FWCJPRIERYJDRY-UHFFFAOYSA-N 1 0 246.310 2.383 10 0 BEAERO COc1cccc(N(C)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000062948983 175275259 /nfs/dbraw/zinc/27/52/59/175275259.db2.gz XUXFTDSEZFFQPC-WCQYABFASA-N 1 0 234.343 2.272 10 0 BEAERO COc1cccc(OCC[NH2+][C@H](C)C2CC2)c1 ZINC000053565664 175283018 /nfs/dbraw/zinc/28/30/18/175283018.db2.gz KIXUEIYGCHDSNT-LLVKDONJSA-N 1 0 235.327 2.462 10 0 BEAERO COc1cccc(OCC[C@@H]([NH3+])C2CC2)c1 ZINC000032013981 175283556 /nfs/dbraw/zinc/28/35/56/175283556.db2.gz SDXSSVCAGPCZSV-CYBMUJFWSA-N 1 0 221.300 2.201 10 0 BEAERO COc1cccc(OC[C@H](C[NH3+])c2ccc[nH]2)c1 ZINC000076631358 175284272 /nfs/dbraw/zinc/28/42/72/175284272.db2.gz YNBPUNIUZYFDMR-NSHDSACASA-N 1 0 246.310 2.145 10 0 BEAERO COc1cccc(OC[C@@H](C[NH3+])c2cc[nH]c2)c1 ZINC000076631367 175284380 /nfs/dbraw/zinc/28/43/80/175284380.db2.gz FHLHFNLWSYYCDI-GFCCVEGCSA-N 1 0 246.310 2.145 10 0 BEAERO COc1cccc(Oc2ccccc2C[NH3+])n1 ZINC000104109446 175285240 /nfs/dbraw/zinc/28/52/40/175285240.db2.gz OYZOOYKBDSLHLR-UHFFFAOYSA-N 1 0 230.267 2.341 10 0 BEAERO COc1cccc([C@@H]([C@H](C)[NH3+])n2ccnc2C)c1 ZINC000043028781 175289414 /nfs/dbraw/zinc/28/94/14/175289414.db2.gz ATYJWLYQLZZOIN-IINYFYTJSA-N 1 0 245.326 2.137 10 0 BEAERO COc1cccc([C@@H]2[NH2+]CCn3cccc32)c1 ZINC000031889914 175291245 /nfs/dbraw/zinc/29/12/45/175291245.db2.gz APJFDVHUDNKPHD-AWEZNQCLSA-N 1 0 228.295 2.189 10 0 BEAERO COc1cccc([C@H](N)C[N@H+](C)CC2CC2)c1 ZINC000037925425 175294101 /nfs/dbraw/zinc/29/41/01/175294101.db2.gz ULFFFNDMHROAFF-CQSZACIVSA-N 1 0 234.343 2.037 10 0 BEAERO COc1cccc([C@H]([C@@H](C)[NH3+])N(C)CC2CC2)c1 ZINC000043027317 175295554 /nfs/dbraw/zinc/29/55/54/175295554.db2.gz UGBKHBWSXSVVPJ-ABAIWWIYSA-N 1 0 248.370 2.425 10 0 BEAERO COc1cccc([C@H]([C@H](C)[NH3+])n2ccnc2C)c1 ZINC000043028783 175295846 /nfs/dbraw/zinc/29/58/46/175295846.db2.gz ATYJWLYQLZZOIN-HZMBPMFUSA-N 1 0 245.326 2.137 10 0 BEAERO COc1cccc([C@H]2CCC[NH2+]C2)c1OC ZINC000057952062 175295964 /nfs/dbraw/zinc/29/59/64/175295964.db2.gz ZJXNAAZLDGHQAP-JTQLQIEISA-N 1 0 221.300 2.171 10 0 BEAERO COc1cccc2c(CC[NH+](C)C)c[nH]c21 ZINC000026718395 175299018 /nfs/dbraw/zinc/29/90/18/175299018.db2.gz GCEZYLSUTMYNRN-UHFFFAOYSA-N 1 0 218.300 2.281 10 0 BEAERO COc1cccc2c([C@H](C)C[NH3+])c[nH]c21 ZINC000082593123 175300027 /nfs/dbraw/zinc/30/00/27/175300027.db2.gz PHYJPJGOESIPCE-MRVPVSSYSA-N 1 0 204.273 2.239 10 0 BEAERO COc1cccc2c1CCC[C@]21CC[NH2+]C1 ZINC000027733448 175301078 /nfs/dbraw/zinc/30/10/78/175301078.db2.gz FNNPWVMJALSOGU-CQSZACIVSA-N 1 0 217.312 2.263 10 0 BEAERO COc1cccc2c1CC[C@H](C[NH+](C)C)C2=O ZINC000165881940 175302289 /nfs/dbraw/zinc/30/22/89/175302289.db2.gz LTYHOOSIBPZOEQ-SNVBAGLBSA-N 1 0 233.311 2.002 10 0 BEAERO COc1ccccc1CC[C@@H]1CCC[NH2+]1 ZINC000041213827 175323758 /nfs/dbraw/zinc/32/37/58/175323758.db2.gz FRUMNTGJURSHBV-LBPRGKRZSA-N 1 0 205.301 2.380 10 0 BEAERO COc1ccccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000049801467 175328028 /nfs/dbraw/zinc/32/80/28/175328028.db2.gz PKBBTFXERYDXMT-AWEZNQCLSA-N 1 0 249.354 2.432 10 0 BEAERO COc1ccccc1CNc1cc[nH+]cc1N ZINC000019755409 175331185 /nfs/dbraw/zinc/33/11/85/175331185.db2.gz VYLZAXYVENIAKT-UHFFFAOYSA-N 1 0 229.283 2.285 10 0 BEAERO COc1ccccc1C[C@@]1(C)C[C@@H]1C[NH3+] ZINC000054587812 175332668 /nfs/dbraw/zinc/33/26/68/175332668.db2.gz KEUOENRJGHUEOL-YPMHNXCESA-N 1 0 205.301 2.223 10 0 BEAERO COc1ccccc1NC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000019482786 175336880 /nfs/dbraw/zinc/33/68/80/175336880.db2.gz JYDKYAKDYNDCPB-CMPLNLGQSA-N 1 0 248.326 2.164 10 0 BEAERO COc1ccccc1[C@@H](N)C[N@@H+]1CCC[C@@H]1C ZINC000037910672 175346899 /nfs/dbraw/zinc/34/68/99/175346899.db2.gz IKGAVYOSMPTZKE-AAEUAGOBSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)C(C)C ZINC000130483239 175347347 /nfs/dbraw/zinc/34/73/47/175347347.db2.gz RIGCUDNJPXWCPK-YPMHNXCESA-N 1 0 237.343 2.363 10 0 BEAERO COc1ccccc1[C@@H](N)C[N@H+](C)[C@H](C)C1CC1 ZINC000036785243 175347711 /nfs/dbraw/zinc/34/77/11/175347711.db2.gz IHWYLLROIQHUDN-RISCZKNCSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)CC1CC1 ZINC000043097797 175349074 /nfs/dbraw/zinc/34/90/74/175349074.db2.gz DRCUNDYVCOMRHP-XHDPSFHLSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccccc1[C@H](C[NH3+])N(C)C[C@H]1C[C@@H]1C ZINC000111765793 175352880 /nfs/dbraw/zinc/35/28/80/175352880.db2.gz LMCYWDHXBDCWLA-SCRDCRAPSA-N 1 0 248.370 2.283 10 0 BEAERO COc1ccccc1[C@H](N)C[NH+]1CCC(C)CC1 ZINC000023067749 175352966 /nfs/dbraw/zinc/35/29/66/175352966.db2.gz DXKYYBWUFIBTNT-CQSZACIVSA-N 1 0 248.370 2.427 10 0 BEAERO COc1ccccc1[C@H](N)C[NH+]1CCCCC1 ZINC000023066662 175353733 /nfs/dbraw/zinc/35/37/33/175353733.db2.gz CSYGAOTYBWQVHO-CYBMUJFWSA-N 1 0 234.343 2.181 10 0 BEAERO COc1ccccc1[C@H]([NH3+])Cn1cnc(C)c1C ZINC000051926540 175353815 /nfs/dbraw/zinc/35/38/15/175353815.db2.gz TWGYJPJBIOHGOA-CYBMUJFWSA-N 1 0 245.326 2.209 10 0 BEAERO COc1ccccc1[C@H]1Cc2n[nH]cc2[C@H]([NH3+])C1 ZINC000072415365 175355277 /nfs/dbraw/zinc/35/52/77/175355277.db2.gz ICDZRVFYHXWMQG-BXKDBHETSA-N 1 0 243.310 2.148 10 0 BEAERO COc1ccccc1[C@H]1C[N@@H+](C(C)C)CCN1 ZINC000077369938 175355315 /nfs/dbraw/zinc/35/53/15/175355315.db2.gz MWHYQNQYIQIIRZ-CYBMUJFWSA-N 1 0 234.343 2.050 10 0 BEAERO COc1ccsc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000127312486 175378791 /nfs/dbraw/zinc/37/87/91/175378791.db2.gz OMYYZLYQEOHJMW-RKDXNWHRSA-N 1 0 227.329 2.024 10 0 BEAERO CSCc1nc(C)c([C@@H](C)C[NH3+])c(C)n1 ZINC000054836987 175532868 /nfs/dbraw/zinc/53/28/68/175532868.db2.gz JXAKGMHHKSXIQX-ZETCQYMHSA-N 1 0 225.361 2.019 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336654278 175552099 /nfs/dbraw/zinc/55/20/99/175552099.db2.gz MSURBXXRXMHUQJ-LMLFDSFASA-N 1 0 215.362 2.038 10 0 BEAERO OC1CC(C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000091525424 322931426 /nfs/dbraw/zinc/93/14/26/322931426.db2.gz VMHNSUPIKITGEV-WDIPEOLASA-N 1 0 231.339 2.498 10 0 BEAERO CSc1cccc(OC2CC2)c1C[NH3+] ZINC000095737891 175581542 /nfs/dbraw/zinc/58/15/42/175581542.db2.gz SQXRATQKAOMOOA-UHFFFAOYSA-N 1 0 209.314 2.408 10 0 BEAERO C[C@@H](CC[NH3+])n1cc(-c2ccccc2)cn1 ZINC000054961007 175674386 /nfs/dbraw/zinc/67/43/86/175674386.db2.gz BRPKLAYWDDJAPC-NSHDSACASA-N 1 0 215.300 2.460 10 0 BEAERO C[C@@H](C[NH3+])c1nc(-c2ccco2)cs1 ZINC000011886657 175712933 /nfs/dbraw/zinc/71/29/33/175712933.db2.gz ZXDDDQXJEICILX-ZETCQYMHSA-N 1 0 208.286 2.465 10 0 BEAERO C[C@@H](C[NH2+]C1CCCCC1)N1CCOC[C@H]1C ZINC000053490936 175730944 /nfs/dbraw/zinc/73/09/44/175730944.db2.gz PXSQSOUHADFRGL-QWHCGFSZSA-N 1 0 240.391 2.018 10 0 BEAERO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367577519 175770941 /nfs/dbraw/zinc/77/09/41/175770941.db2.gz TXQVGVQODIMPAI-FBUXBERBSA-N 1 0 249.329 2.239 10 0 BEAERO C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCO1 ZINC000003638356 175773097 /nfs/dbraw/zinc/77/30/97/175773097.db2.gz CQDTWANCCKRJEC-GXTWGEPZSA-N 1 0 219.328 2.386 10 0 BEAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](O)C1 ZINC000132093694 175773408 /nfs/dbraw/zinc/77/34/08/175773408.db2.gz ACPMSFXWNQGHLJ-ZFWWWQNUSA-N 1 0 233.355 2.322 10 0 BEAERO C[C@@H]([NH3+])C1CCN(C(=O)Oc2ccccc2)CC1 ZINC000104126643 175801371 /nfs/dbraw/zinc/80/13/71/175801371.db2.gz IJAMZMQRQAFDGI-LLVKDONJSA-N 1 0 248.326 2.245 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC000042947262 175812680 /nfs/dbraw/zinc/81/26/80/175812680.db2.gz RILCNHIRJVDURP-BXKDBHETSA-N 1 0 235.718 2.473 10 0 BEAERO C[C@@H]([NH3+])c1noc(-c2ccc3ncccc3c2)n1 ZINC000061418762 175822232 /nfs/dbraw/zinc/82/22/32/175822232.db2.gz VNTMWGDSXCHMEV-MRVPVSSYSA-N 1 0 240.266 2.305 10 0 BEAERO C[C@@H]([NH2+]CCc1ccsc1)[C@H]1CCOC1 ZINC000132297339 175885565 /nfs/dbraw/zinc/88/55/65/175885565.db2.gz CMGBNCUFVNGPQH-PWSUYJOCSA-N 1 0 225.357 2.305 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccs1 ZINC000308997165 175893912 /nfs/dbraw/zinc/89/39/12/175893912.db2.gz MXHJDTBEVBYHHX-DBIOUOCHSA-N 1 0 223.341 2.291 10 0 BEAERO C[C@@H](O)C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000006651066 175983735 /nfs/dbraw/zinc/98/37/35/175983735.db2.gz KECTVXVORSLESR-XQHKEYJVSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H](O)c1ccccc1N(C)CCC[NH+](C)C ZINC000111139402 176000252 /nfs/dbraw/zinc/00/02/52/176000252.db2.gz RGRCHRYYXDPOKP-GFCCVEGCSA-N 1 0 236.359 2.128 10 0 BEAERO C[C@@H](OC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000040430512 176001720 /nfs/dbraw/zinc/00/17/20/176001720.db2.gz AYPYSUHQDDSYHI-PWSUYJOCSA-N 1 0 219.284 2.043 10 0 BEAERO C[C@@H](OCC1CC[NH2+]CC1)c1ccccn1 ZINC000095068559 176002247 /nfs/dbraw/zinc/00/22/47/176002247.db2.gz RKYMSWRTTXOUGH-LLVKDONJSA-N 1 0 220.316 2.159 10 0 BEAERO C[C@@H](OCC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068581 176002689 /nfs/dbraw/zinc/00/26/89/176002689.db2.gz HQABFCGXUNVVMG-NEPJUHHUSA-N 1 0 235.331 2.086 10 0 BEAERO C[C@@H](OC[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068505 176003072 /nfs/dbraw/zinc/00/30/72/176003072.db2.gz YANYPGFYOYFZCD-GHMZBOCLSA-N 1 0 208.305 2.092 10 0 BEAERO C[C@@H](c1ccc(Cl)s1)N(C)CC[NH3+] ZINC000054417051 176014324 /nfs/dbraw/zinc/01/43/24/176014324.db2.gz CLOVLCPCKMMUFG-ZETCQYMHSA-N 1 0 218.753 2.353 10 0 BEAERO C[C@@H](c1ccc(Cl)s1)N1CC[NH2+]CC1 ZINC000038086757 176014596 /nfs/dbraw/zinc/01/45/96/176014596.db2.gz XDFSCLUXZLJSKJ-QMMMGPOBSA-N 1 0 230.764 2.368 10 0 BEAERO C[C@@H](c1ccccc1)N1CC[NH2+]C(C)(C)C1 ZINC000041232103 176021429 /nfs/dbraw/zinc/02/14/29/176021429.db2.gz IFEYBLOFTGJHSZ-LBPRGKRZSA-N 1 0 218.344 2.431 10 0 BEAERO C[C@@H](c1ccccn1)[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049666687 176027923 /nfs/dbraw/zinc/02/79/23/176027923.db2.gz WIYGNGHTTDNASJ-MCIONIFRSA-N 1 0 247.386 2.320 10 0 BEAERO C[C@@H](c1cccs1)N(C)[C@H]1CC[NH2+]C1 ZINC000095068186 176032418 /nfs/dbraw/zinc/03/24/18/176032418.db2.gz RTJMRFHGBSOCGT-UWVGGRQHSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@@H](c1cccs1)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037497971 176032844 /nfs/dbraw/zinc/03/28/44/176032844.db2.gz NZELCDSJYFVKKV-UWVGGRQHSA-N 1 0 238.356 2.020 10 0 BEAERO C[C@@H](c1cccs1)N1CCC[C@@H]1C[NH3+] ZINC000095068288 176034172 /nfs/dbraw/zinc/03/41/72/176034172.db2.gz BWCOTXLGXJMJTJ-VHSXEESVSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2cnn(C)c2)C1 ZINC000043461907 176052274 /nfs/dbraw/zinc/05/22/74/176052274.db2.gz FXAWBLPSAMJFAO-ZWNOBZJWSA-N 1 0 221.348 2.420 10 0 BEAERO C[C@@H]1CCCC[C@@]1(CN)[NH+]1CCCCC1 ZINC000019433571 176083124 /nfs/dbraw/zinc/08/31/24/176083124.db2.gz LDOGNOHBLQMZDL-OLZOCXBDSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1cccnc1 ZINC000036770986 176083212 /nfs/dbraw/zinc/08/32/12/176083212.db2.gz SOCLIGCQEAXWNE-HIFRSBDPSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000020052544 176087259 /nfs/dbraw/zinc/08/72/59/176087259.db2.gz LCCRCIDABACCJV-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@@H]1CCCC[C@]1(CO)[NH2+]C1CCCC1 ZINC000038122660 176089941 /nfs/dbraw/zinc/08/99/41/176089941.db2.gz MGGDDVPKBSJHFY-DGCLKSJQSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@@H]1CCCC[C@]1([NH3+])C(=O)OC(C)(C)C ZINC000041038356 176090460 /nfs/dbraw/zinc/09/04/60/176090460.db2.gz QQMSPLHHUQXYNS-BXKDBHETSA-N 1 0 213.321 2.236 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[NH2+]C2CCCC2)CC1 ZINC000104360966 176092166 /nfs/dbraw/zinc/09/21/66/176092166.db2.gz HMRRJXXUZFLKLI-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H]1CCC[N@@H+](C2(CN)CCCCC2)C1 ZINC000019423746 176097093 /nfs/dbraw/zinc/09/70/93/176097093.db2.gz MIXMWQLZHFAMBI-GFCCVEGCSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1CCCN(c2nc3ccccc3[nH]2)[C@@H]1C[NH3+] ZINC000070178399 176104218 /nfs/dbraw/zinc/10/42/18/176104218.db2.gz YJXVADPGWPLQJA-ZWNOBZJWSA-N 1 0 244.342 2.127 10 0 BEAERO C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(N)c1 ZINC000037909835 176108271 /nfs/dbraw/zinc/10/82/71/176108271.db2.gz GZFONXVQPGVEKB-LLVKDONJSA-N 1 0 247.342 2.082 10 0 BEAERO C[C@@H]1CCC[N@@H+]1C[C@H](N)c1ccccc1 ZINC000037910659 176108349 /nfs/dbraw/zinc/10/83/49/176108349.db2.gz PEDYSNCMEJYFIP-YPMHNXCESA-N 1 0 204.317 2.171 10 0 BEAERO C[C@@H]1CCC[N@@H+]1CCc1ccccc1O ZINC000029131282 176108510 /nfs/dbraw/zinc/10/85/10/176108510.db2.gz XLLMSPMZEFQVLD-LLVKDONJSA-N 1 0 205.301 2.419 10 0 in-vivo BEAERO C[C@@H]1CCC[N@@H+]1C[C@](C)(N)c1ccccc1 ZINC000052883360 176109031 /nfs/dbraw/zinc/10/90/31/176109031.db2.gz DXUOFZOZTWNAMC-OCCSQVGLSA-N 1 0 218.344 2.345 10 0 BEAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCCCCCC1 ZINC000051792330 176112948 /nfs/dbraw/zinc/11/29/48/176112948.db2.gz HOYDSRBMNGWMGH-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCn1ccnn1 ZINC000126475567 176113346 /nfs/dbraw/zinc/11/33/46/176113346.db2.gz PBCXRMHLAQUSSJ-VXGBXAGGSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccnc1N ZINC000052717087 176116424 /nfs/dbraw/zinc/11/64/24/176116424.db2.gz YOFKIBUSDNTFSW-GHMZBOCLSA-N 1 0 219.332 2.427 10 0 BEAERO C[C@@H]1CCC[C@@H](CNC(=O)Oc2ccccc2)[NH2+]1 ZINC000051573843 176119054 /nfs/dbraw/zinc/11/90/54/176119054.db2.gz QEEDJDOEPIDYOW-NEPJUHHUSA-N 1 0 248.326 2.306 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cncnc2)[C@@H]1C ZINC000054766996 176123975 /nfs/dbraw/zinc/12/39/75/176123975.db2.gz VFCLRZGZOZYXMS-NQBHXWOUSA-N 1 0 219.332 2.391 10 0 BEAERO C[C@@H]1CCC[C@@](CN)([N@@H+]2CCCSCC2)C1 ZINC000042443554 176133420 /nfs/dbraw/zinc/13/34/20/176133420.db2.gz ZQURSAWNDIIHRF-CHWSQXEVSA-N 1 0 242.432 2.333 10 0 BEAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cncs2)C1 ZINC000054788481 176133430 /nfs/dbraw/zinc/13/34/30/176133430.db2.gz TUEGWIZIJWOCFW-ZYHUDNBSSA-N 1 0 240.372 2.174 10 0 BEAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2ccncc2)C1 ZINC000036775757 176133463 /nfs/dbraw/zinc/13/34/63/176133463.db2.gz FNNJJMGKKIYDQR-UKRRQHHQSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCC[C@@](CN)([NH+]2CCCCC2)C1 ZINC000019436237 176134272 /nfs/dbraw/zinc/13/42/72/176134272.db2.gz CBTZRGDTKZXRRG-CHWSQXEVSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)N2CCC(C)(C)CC2)[NH2+]1 ZINC000061822070 176135656 /nfs/dbraw/zinc/13/56/56/176135656.db2.gz IFAHKTSEIMZUBT-VXGBXAGGSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CCC[C@H](CNC(=O)Oc2ccccc2)[NH2+]1 ZINC000051573839 176138757 /nfs/dbraw/zinc/13/87/57/176138757.db2.gz QEEDJDOEPIDYOW-VXGBXAGGSA-N 1 0 248.326 2.306 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)[C@](C)([NH3+])C2CC2)[C@@H]1C ZINC000037614298 176142652 /nfs/dbraw/zinc/14/26/52/176142652.db2.gz JSEBAJZLOSMSBI-KOXOONSLSA-N 1 0 238.375 2.055 10 0 BEAERO C[C@@H]1CCC[C@](CO)([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000053117247 176152278 /nfs/dbraw/zinc/15/22/78/176152278.db2.gz CIHNNBLTFGIWTR-RDBSUJKOSA-N 1 0 239.359 2.210 10 0 BEAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2ccc[nH]2)C1 ZINC000053117234 176152335 /nfs/dbraw/zinc/15/23/35/176152335.db2.gz TUMFQWIZEAPWBF-YPMHNXCESA-N 1 0 222.332 2.046 10 0 BEAERO C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)[C@@H]1CO ZINC000227196525 176172248 /nfs/dbraw/zinc/17/22/48/176172248.db2.gz KHADEKRYMCBJTB-OSAQELSMSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@@H]1CCN(c2ccc(F)c(F)c2F)CC[NH2+]1 ZINC000049661075 176181331 /nfs/dbraw/zinc/18/13/31/176181331.db2.gz ATUQRKQUKGGCTF-MRVPVSSYSA-N 1 0 244.260 2.292 10 0 BEAERO C[C@@H]1CCN(c2cccc3cnccc32)CC[NH2+]1 ZINC000049662086 176181548 /nfs/dbraw/zinc/18/15/48/176181548.db2.gz IDPOLEAAMJZUBW-GFCCVEGCSA-N 1 0 241.338 2.423 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000324601363 487633161 /nfs/dbraw/zinc/63/31/61/487633161.db2.gz JBARBAHDRQGLQC-IRCOFANPSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@H]1CC[NH2+]CCN1CCCc1ccccc1 ZINC000062615884 176184796 /nfs/dbraw/zinc/18/47/96/176184796.db2.gz SEJVQZDYNYPPIJ-CQSZACIVSA-N 1 0 232.371 2.303 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncccc1Cl ZINC000335655353 176185354 /nfs/dbraw/zinc/18/53/54/176185354.db2.gz ATIMKQPSOVMSDV-SCZZXKLOSA-N 1 0 225.723 2.145 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)N(C)c2ccccc2)C[NH2+]1 ZINC000019477495 176219862 /nfs/dbraw/zinc/21/98/62/176219862.db2.gz ISPMTFLXHLFOJB-NEPJUHHUSA-N 1 0 232.327 2.038 10 0 BEAERO C[C@@H]1CC[C@H](CNC(=O)CC2CCCC2)C[NH2+]1 ZINC000062036649 176224870 /nfs/dbraw/zinc/22/48/70/176224870.db2.gz IQCPMKOYZNFRQF-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CN(C2(C[NH3+])CCCCCC2)C[C@@H](C)O1 ZINC000019473383 176280610 /nfs/dbraw/zinc/28/06/10/176280610.db2.gz CFXRREOVMREJHO-CHWSQXEVSA-N 1 0 240.391 2.147 10 0 BEAERO C[C@@H]1CN(CCc2ccccc2)C(C)(C)C[NH2+]1 ZINC000062615675 176293579 /nfs/dbraw/zinc/29/35/79/176293579.db2.gz RPZKJNIIIBIJKS-CYBMUJFWSA-N 1 0 232.371 2.301 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2)C(C)(C)C[NH2+]1 ZINC000062608929 176305336 /nfs/dbraw/zinc/30/53/36/176305336.db2.gz HIWHYNYFFGYGLP-GFCCVEGCSA-N 1 0 218.344 2.259 10 0 BEAERO C[C@@H]1C[NH2+]CCCN(c2ccccc2)C1 ZINC000049665059 176324635 /nfs/dbraw/zinc/32/46/35/176324635.db2.gz RRQZFLUIRKKFAL-GFCCVEGCSA-N 1 0 204.317 2.122 10 0 BEAERO C[C@@H]1C[NH2+]CCN(Cc2ccc(F)c(F)c2)C1 ZINC000049662447 176325467 /nfs/dbraw/zinc/32/54/67/176325467.db2.gz RPHGEGGSBPNCGU-SNVBAGLBSA-N 1 0 240.297 2.006 10 0 BEAERO C[C@@H]1C[NH2+]CCN(c2cccc3ncccc32)C1 ZINC000049660946 176325958 /nfs/dbraw/zinc/32/59/58/176325958.db2.gz RAMZNAYJYNENAY-GFCCVEGCSA-N 1 0 241.338 2.281 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)C1CCCCCC1 ZINC000104213055 176328521 /nfs/dbraw/zinc/32/85/21/176328521.db2.gz VVMDBCKPOFTEOL-YPMHNXCESA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CN(C)Cc1cccc(F)c1 ZINC000104213273 176329683 /nfs/dbraw/zinc/32/96/83/176329683.db2.gz LYEOSURBGWKXKR-YPMHNXCESA-N 1 0 236.334 2.113 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1CCc1ccccc1 ZINC000120918311 176346742 /nfs/dbraw/zinc/34/67/42/176346742.db2.gz KJTUVJMVEZQKJO-CHWSQXEVSA-N 1 0 219.328 2.338 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1CC[C@@H](O)c1ccccc1 ZINC000286640530 176347292 /nfs/dbraw/zinc/34/72/92/176347292.db2.gz ZVTIDFMWJBKAJM-UMVBOHGHSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@@H](NC1=[NH+][C@H](C)CS1)c1ccncc1 ZINC000035694042 176348837 /nfs/dbraw/zinc/34/88/37/176348837.db2.gz ICTQUUFKUWJGBW-RKDXNWHRSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](CCNCc2cccnc2)C1 ZINC000053344488 176360963 /nfs/dbraw/zinc/36/09/63/176360963.db2.gz TUYURYGBLVOKMW-ZIAGYGMSSA-N 1 0 247.386 2.149 10 0 BEAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019274121 176361547 /nfs/dbraw/zinc/36/15/47/176361547.db2.gz ZUZBGWZLYDNQII-BZPMIXESSA-N 1 0 233.359 2.059 10 0 BEAERO C[C@@H]1C[C@@H](N(C)Cc2nccs2)CC[N@@H+]1C ZINC000135123146 176370808 /nfs/dbraw/zinc/37/08/08/176370808.db2.gz VPGZRLNLRXKQTG-MNOVXSKESA-N 1 0 239.388 2.058 10 0 BEAERO C[C@@H]1C[C@@H]1CN(C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111823817 176391903 /nfs/dbraw/zinc/39/19/03/176391903.db2.gz DVDXTUCUYIUGFK-QKCSRTOESA-N 1 0 236.334 2.413 10 0 BEAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000375749474 176407759 /nfs/dbraw/zinc/40/77/59/176407759.db2.gz FLOBKESFZGSYKX-WJUUCBRBSA-N 1 0 247.338 2.385 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC1CCCC1 ZINC000055127060 176417072 /nfs/dbraw/zinc/41/70/72/176417072.db2.gz NYRCRAYRHQXYDQ-RTXFEEFZSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@](C[NH3+])(CO)c1ccc(Cl)c(Cl)c1 ZINC000071543388 176509246 /nfs/dbraw/zinc/50/92/46/176509246.db2.gz LQKDHCCQZQFHTH-SNVBAGLBSA-N 1 0 234.126 2.202 10 0 BEAERO C[C@@]1(c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000052126151 176545395 /nfs/dbraw/zinc/54/53/95/176545395.db2.gz YYQMPFXOAZURNL-ZJUUUORDSA-N 1 0 226.117 2.438 10 0 BEAERO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000336704131 176616375 /nfs/dbraw/zinc/61/63/75/176616375.db2.gz LVQZVKMSBSUIKM-CHWSQXEVSA-N 1 0 242.407 2.121 10 0 BEAERO C[C@H](C[NH+]1CCCC1)N1Cc2ccc(N)cc2C1 ZINC000049185838 176664294 /nfs/dbraw/zinc/66/42/94/176664294.db2.gz QJVOZBFOQBSKBK-GFCCVEGCSA-N 1 0 245.370 2.069 10 0 BEAERO C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000096894297 176674400 /nfs/dbraw/zinc/67/44/00/176674400.db2.gz CGCIAUYYTVWQMO-GHMZBOCLSA-N 1 0 242.363 2.147 10 0 BEAERO C[C@H](Cc1ccco1)NC(=[NH2+])NC1CCCC1 ZINC000052047775 176725203 /nfs/dbraw/zinc/72/52/03/176725203.db2.gz INLGMWFMZZHQJA-SNVBAGLBSA-N 1 0 235.331 2.267 10 0 BEAERO C[C@H]([NH3+])COc1ccc(Br)cc1F ZINC000075881397 176760894 /nfs/dbraw/zinc/76/08/94/176760894.db2.gz CQHIXWZXYRSGMR-LURJTMIESA-N 1 0 248.095 2.314 10 0 BEAERO C[C@H]([NH3+])Cc1c(Cl)cc(N)cc1Cl ZINC000026377776 176761417 /nfs/dbraw/zinc/76/14/17/176761417.db2.gz WAUCISBZSYQBOB-YFKPBYRVSA-N 1 0 219.115 2.465 10 0 BEAERO C[C@H]([NH3+])Cc1cc(F)c(N(C)C2CC2)c(F)c1 ZINC000104260215 176761957 /nfs/dbraw/zinc/76/19/57/176761957.db2.gz VOWMKDKMNPZUAT-QMMMGPOBSA-N 1 0 240.297 2.453 10 0 BEAERO C[C@H]([NH3+])Cc1n[nH]c2ccc(Cl)cc21 ZINC000011687101 176762211 /nfs/dbraw/zinc/76/22/11/176762211.db2.gz RIGRKJDNTIKRQD-LURJTMIESA-N 1 0 209.680 2.106 10 0 BEAERO C[C@H]([NH3+])Cc1cnc(Cc2cccs2)nc1 ZINC000054857761 176762438 /nfs/dbraw/zinc/76/24/38/176762438.db2.gz UXWTYDJIFVKCHM-VIFPVBQESA-N 1 0 233.340 2.019 10 0 BEAERO C[C@H]([NH3+])Cn1ccc2cc(F)c(F)cc21 ZINC000013586850 176763401 /nfs/dbraw/zinc/76/34/01/176763401.db2.gz MYZDBEVPJGKIQS-ZETCQYMHSA-N 1 0 210.227 2.267 10 0 in-vivo BEAERO C[C@H]([NH3+])[C@@H](O)c1ccc2ccccc2c1 ZINC000020216779 176765344 /nfs/dbraw/zinc/76/53/44/176765344.db2.gz NFZDODHLNGJCOD-TVQRCGJNSA-N 1 0 201.269 2.220 10 0 BEAERO C[C@H]([NH3+])[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961188 176770298 /nfs/dbraw/zinc/77/02/98/176770298.db2.gz NPQWYJULHMYOBC-QWRGUYRKSA-N 1 0 215.300 2.458 10 0 BEAERO C[C@H](CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)C(C)(C)C ZINC000226544446 176774029 /nfs/dbraw/zinc/77/40/29/176774029.db2.gz IJFAZSBQHIXJMT-WOPDTQHZSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@H]([NH3+])c1cccc(OC[C@H]2CCCO2)c1 ZINC000022175541 176777360 /nfs/dbraw/zinc/77/73/60/176777360.db2.gz VHVJUOLXPTYKHE-GXFFZTMASA-N 1 0 221.300 2.264 10 0 BEAERO C[C@H](NC(=O)NC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000037748028 176800441 /nfs/dbraw/zinc/80/04/41/176800441.db2.gz QSLKYQWJKFLBJB-JTQLQIEISA-N 1 0 249.358 2.304 10 0 BEAERO C[C@H]([NH2+]C(C)(C)C)[C@@H](O)c1ccccc1 ZINC000027652141 176824128 /nfs/dbraw/zinc/82/41/28/176824128.db2.gz USKJECUROJSHQU-CMPLNLGQSA-N 1 0 207.317 2.497 10 0 BEAERO C[C@H]([NH2+]C1CCCC1)C(=O)N1CCCCCC1 ZINC000034937591 176829084 /nfs/dbraw/zinc/82/90/84/176829084.db2.gz NTYDJAGDXDXQHQ-LBPRGKRZSA-N 1 0 238.375 2.310 10 0 BEAERO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CCCO1 ZINC000336768054 176902332 /nfs/dbraw/zinc/90/23/32/176902332.db2.gz UGSCRRNKGHHHKW-SYEHKZFSSA-N 1 0 209.333 2.332 10 0 BEAERO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CCCO1 ZINC000336768052 176902923 /nfs/dbraw/zinc/90/29/23/176902923.db2.gz UGSCRRNKGHHHKW-FTYKPCCVSA-N 1 0 209.333 2.332 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccnc1 ZINC000037889104 176920100 /nfs/dbraw/zinc/92/01/00/176920100.db2.gz KPGRJYWKXIZNBH-UBHSHLNASA-N 1 0 234.343 2.426 10 0 BEAERO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309060377 177001350 /nfs/dbraw/zinc/00/13/50/177001350.db2.gz WDUBZPNCTXYKJU-YFKTTZPYSA-N 1 0 217.328 2.264 10 0 BEAERO C[C@H](O)[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000162761599 177014594 /nfs/dbraw/zinc/01/45/94/177014594.db2.gz CBMHGFHXKRXJIT-UBHSHLNASA-N 1 0 231.339 2.029 10 0 BEAERO C[C@H](O)c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000035631317 177017197 /nfs/dbraw/zinc/01/71/97/177017197.db2.gz DLKISECBOXCTPL-LBPRGKRZSA-N 1 0 248.370 2.270 10 0 BEAERO C[C@H](O)c1cccc(OCCC[NH+](C)C)c1 ZINC000041243191 177017209 /nfs/dbraw/zinc/01/72/09/177017209.db2.gz XQDOIFMGRUYBFW-NSHDSACASA-N 1 0 223.316 2.070 10 0 BEAERO C[C@H](OC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000051890562 177020766 /nfs/dbraw/zinc/02/07/66/177020766.db2.gz CRLTUXRZHXWOOZ-NWDGAFQWSA-N 1 0 205.301 2.374 10 0 BEAERO C[C@H](OCC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068582 177020820 /nfs/dbraw/zinc/02/08/20/177020820.db2.gz HQABFCGXUNVVMG-NWDGAFQWSA-N 1 0 235.331 2.086 10 0 BEAERO C[C@H](OCCC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095068612 177021085 /nfs/dbraw/zinc/02/10/85/177021085.db2.gz CNZLTYDXPBFZPX-NSHDSACASA-N 1 0 222.332 2.482 10 0 BEAERO C[C@H](Oc1ccccc1C1CC1)C1=[NH+]CCN1 ZINC000064393120 177024672 /nfs/dbraw/zinc/02/46/72/177024672.db2.gz QYCJTZDZQXSXSC-JTQLQIEISA-N 1 0 230.311 2.333 10 0 BEAERO C[C@H]([C@H]([NH3+])c1ccccc1)n1ccnc1 ZINC000023070824 177031098 /nfs/dbraw/zinc/03/10/98/177031098.db2.gz DCHONAQTARXODU-PWSUYJOCSA-N 1 0 201.273 2.144 10 0 BEAERO C[C@H](c1cccs1)N1CCC(=O)CC1 ZINC000019728806 177048488 /nfs/dbraw/zinc/04/84/88/177048488.db2.gz AIUMAFSYHOIYID-SECBINFHSA-N 1 0 209.314 2.474 10 0 BEAERO C[C@H](c1ccco1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100248604 177048926 /nfs/dbraw/zinc/04/89/26/177048926.db2.gz NCWYDXBZXZRAQK-GHMZBOCLSA-N 1 0 209.289 2.045 10 0 BEAERO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]C2CC2)C1 ZINC000038124145 177063782 /nfs/dbraw/zinc/06/37/82/177063782.db2.gz ORSBLDBYZHBNNM-GXFFZTMASA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000055122004 177073273 /nfs/dbraw/zinc/07/32/73/177073273.db2.gz ICCHQKOIXNRADO-YVECIDJPSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCCC[C@@H]1C ZINC000055122002 177073837 /nfs/dbraw/zinc/07/38/37/177073837.db2.gz ICCHQKOIXNRADO-MROQNXINSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccco1 ZINC000019258444 177079146 /nfs/dbraw/zinc/07/91/46/177079146.db2.gz UCKUHYFJNRMIHE-QWRGUYRKSA-N 1 0 208.305 2.154 10 0 BEAERO C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1CCCC1 ZINC000037388756 177082230 /nfs/dbraw/zinc/08/22/30/177082230.db2.gz RSCDHOLASDWMMI-AAEUAGOBSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]CCc1nccn1C ZINC000040638577 177083035 /nfs/dbraw/zinc/08/30/35/177083035.db2.gz NOYVIULOYKGVDQ-RYUDHWBXSA-N 1 0 221.348 2.131 10 0 BEAERO C[C@H]1CCCC[C@@]1([NH3+])C(=O)OC(C)(C)C ZINC000041038359 177084954 /nfs/dbraw/zinc/08/49/54/177084954.db2.gz QQMSPLHHUQXYNS-CABZTGNLSA-N 1 0 213.321 2.236 10 0 BEAERO C[C@H]1CCCC[C@@H]1Oc1cc(C(N)=[NH2+])ccn1 ZINC000019507573 177084191 /nfs/dbraw/zinc/08/41/91/177084191.db2.gz HXYUUKPCTXVKLF-ONGXEEELSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@H]1CCCC[C@@]1(CN)[N@@H+]1CCCSCC1 ZINC000042443612 177084837 /nfs/dbraw/zinc/08/48/37/177084837.db2.gz DJCVHWGKHFTUOL-STQMWFEESA-N 1 0 242.432 2.333 10 0 BEAERO C[C@H]1CCCC[C@@]1(CN)[NH+]1CCCCC1 ZINC000019433573 177085666 /nfs/dbraw/zinc/08/56/66/177085666.db2.gz LDOGNOHBLQMZDL-STQMWFEESA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(N)CCCC1 ZINC000050566832 177096400 /nfs/dbraw/zinc/09/64/00/177096400.db2.gz UTBJGROCQACRQA-NWDGAFQWSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1csc(N)n1 ZINC000050564947 177102342 /nfs/dbraw/zinc/10/23/42/177102342.db2.gz LDYKBMJTMRRBSP-DTWKUNHWSA-N 1 0 225.361 2.346 10 0 BEAERO C[C@H]1CCC[N@@H+]1C[C@H](N)c1ccccc1 ZINC000037910660 177109685 /nfs/dbraw/zinc/10/96/85/177109685.db2.gz PEDYSNCMEJYFIP-AAEUAGOBSA-N 1 0 204.317 2.171 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)NCCC2CCCC2)[NH2+]1 ZINC000037741559 177113754 /nfs/dbraw/zinc/11/37/54/177113754.db2.gz MHUPBVDKBLZGHY-AAEUAGOBSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000125167890 177115035 /nfs/dbraw/zinc/11/50/35/177115035.db2.gz BRGVGINVVDYODH-NEPJUHHUSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@H]1CCC[C@@H]([NH2+]CCn2ccc(=O)cc2)C1 ZINC000061628620 177122966 /nfs/dbraw/zinc/12/29/66/177122966.db2.gz QXGQLPAAUNKHTP-QWHCGFSZSA-N 1 0 234.343 2.017 10 0 BEAERO C[C@H]1[C@H]([NH2+]Cc2ncc[nH]2)CCC[C@@H]1C ZINC000049714593 177123128 /nfs/dbraw/zinc/12/31/28/177123128.db2.gz OVMRKOBDLAOSIC-HBNTYKKESA-N 1 0 207.321 2.324 10 0 BEAERO C[C@H]1CCC[C@@H](Oc2cccc(C[NH3+])n2)C1 ZINC000051542219 177123603 /nfs/dbraw/zinc/12/36/03/177123603.db2.gz ALZZHSAXWVSHEJ-CMPLNLGQSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCC[C@@]([NH2+]Cc2ccccc2)(C(N)=O)C1 ZINC000037941239 177127448 /nfs/dbraw/zinc/12/74/48/177127448.db2.gz XGDBVUADWFMIDR-WFASDCNBSA-N 1 0 246.354 2.210 10 0 BEAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)OC(C)(C)C)C1 ZINC000041036803 177127852 /nfs/dbraw/zinc/12/78/52/177127852.db2.gz JXVAXIFUJGXWIA-CABZTGNLSA-N 1 0 213.321 2.236 10 0 BEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2ccncc2)C1 ZINC000036775758 177127974 /nfs/dbraw/zinc/12/79/74/177127974.db2.gz FNNJJMGKKIYDQR-DZGCQCFKSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCC[C@H](C)N1CC[NH2+]CC1CC1 ZINC000037478531 177131377 /nfs/dbraw/zinc/13/13/77/177131377.db2.gz UFLBEKWBKDKIHU-RYUDHWBXSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000094647213 177136410 /nfs/dbraw/zinc/13/64/10/177136410.db2.gz GFXULQKJPHUHQJ-QNWHQSFQSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC000020055150 177137217 /nfs/dbraw/zinc/13/72/17/177137217.db2.gz JFTLMWATCAFCPD-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CCC[C@H](Oc2ncccc2C(N)=[NH2+])C1 ZINC000036915121 177138899 /nfs/dbraw/zinc/13/88/99/177138899.db2.gz BYDRCNREEBDIFJ-UWVGGRQHSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2cncs2)C1 ZINC000054788484 177143910 /nfs/dbraw/zinc/14/39/10/177143910.db2.gz TUEGWIZIJWOCFW-JQWIXIFHSA-N 1 0 240.372 2.174 10 0 BEAERO C[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000051732788 177145942 /nfs/dbraw/zinc/14/59/42/177145942.db2.gz BMUYKBGGICEZCS-ZSVAQUKISA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1CC[N@H+](C)CCc2ccc(O)cc21 ZINC000169317742 177157348 /nfs/dbraw/zinc/15/73/48/177157348.db2.gz VLUJHVQVULWSPP-JTQLQIEISA-N 1 0 205.301 2.374 10 0 BEAERO C[C@H]1CCCC[C@H]1C[N@@H+]1CCN[C@@H](C)CC1 ZINC000044417887 177161600 /nfs/dbraw/zinc/16/16/00/177161600.db2.gz LEYIZWFTLCZGQT-IHRRRGAJSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@H]1CCN(CCc2ccccc2F)CC[NH2+]1 ZINC000049661274 177161872 /nfs/dbraw/zinc/16/18/72/177161872.db2.gz WNMRGIKIVHZQJX-LBPRGKRZSA-N 1 0 236.334 2.052 10 0 BEAERO C[C@H]1CCN(Cc2cc(F)ccc2F)CC[NH2+]1 ZINC000104276904 177164012 /nfs/dbraw/zinc/16/40/12/177164012.db2.gz LUUMXLJBJNCIMP-JTQLQIEISA-N 1 0 240.297 2.149 10 0 BEAERO C[C@@H]1C[C@@H](C)CCN1Cc1csc(C[NH3+])n1 ZINC000052510109 177166545 /nfs/dbraw/zinc/16/65/45/177166545.db2.gz JQMQBIYQLBHYBB-VHSXEESVSA-N 1 0 239.388 2.222 10 0 BEAERO C[C@H]1CCN(c2ccccc2F)CCC[NH2+]1 ZINC000049664567 177171780 /nfs/dbraw/zinc/17/17/80/177171780.db2.gz RGAMDKQNRAVBCQ-NSHDSACASA-N 1 0 222.307 2.404 10 0 BEAERO C[C@@H]([NH3+])c1cnc(N2CC[C@H](C)C2)s1 ZINC000054896478 177172205 /nfs/dbraw/zinc/17/22/05/177172205.db2.gz VJUJANIUYUBZPW-JGVFFNPUSA-N 1 0 211.334 2.009 10 0 BEAERO C[C@H]1CC[NH2+]CCN1Cc1ccc(F)cc1 ZINC000062611108 177174245 /nfs/dbraw/zinc/17/42/45/177174245.db2.gz CCDGZKINIHVQSJ-NSHDSACASA-N 1 0 222.307 2.010 10 0 BEAERO C[C@H]1CC[NH2+]CCN1Cc1ccccc1F ZINC000062611104 177174588 /nfs/dbraw/zinc/17/45/88/177174588.db2.gz KUKNQWPTSQEQQT-NSHDSACASA-N 1 0 222.307 2.010 10 0 BEAERO C[C@H]1CC[NH2+]Cc2nc(-c3ccccn3)oc21 ZINC000091301870 177175102 /nfs/dbraw/zinc/17/51/02/177175102.db2.gz DBALDJNUIDSXOB-VIFPVBQESA-N 1 0 229.283 2.333 10 0 BEAERO C[C@H]1CC[C@H](C)N1C(=O)c1ccc(C[NH3+])cc1 ZINC000122160501 177199047 /nfs/dbraw/zinc/19/90/47/177199047.db2.gz LMCHJEZUZGQDDZ-QWRGUYRKSA-N 1 0 232.327 2.158 10 0 BEAERO C[C@H]1CCc2cccc(OCC[NH+](C)C)c2N1 ZINC000019965361 177210382 /nfs/dbraw/zinc/21/03/82/177210382.db2.gz RUKBCJLFYDQIQG-NSHDSACASA-N 1 0 234.343 2.374 10 0 BEAERO C[C@H]1CN(C)[C@H](c2ccc(Cl)s2)C[NH2+]1 ZINC000083357744 177240241 /nfs/dbraw/zinc/24/02/41/177240241.db2.gz IRQJBLSDICWGBB-YUMQZZPRSA-N 1 0 230.764 2.366 10 0 BEAERO C[C@H]1C[NH+](CC(=O)c2ccccc2)C[C@@H]1C ZINC000039109878 177244919 /nfs/dbraw/zinc/24/49/19/177244919.db2.gz GRSOHFFQZNBUTE-RYUDHWBXSA-N 1 0 217.312 2.457 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H]2CCSC2)CCS1 ZINC000307029610 177257459 /nfs/dbraw/zinc/25/74/59/177257459.db2.gz MQOSYPSHXWSKJZ-UWVGGRQHSA-N 1 0 217.403 2.177 10 0 BEAERO C[C@@H]1CCC(=O)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000053925113 177257829 /nfs/dbraw/zinc/25/78/29/177257829.db2.gz OEZTUDVIXGAWGE-NDBYEHHHSA-N 1 0 239.359 2.101 10 0 BEAERO C[C@H]1C[N@H+](C[C@H]2Cc3ccccc32)CCC1=O ZINC000251861444 177259754 /nfs/dbraw/zinc/25/97/54/177259754.db2.gz SNAVTYDAIZRQPY-WCQYABFASA-N 1 0 229.323 2.237 10 0 BEAERO C[C@H]1C[N@H+](Cc2cccc(O)c2)CCS1 ZINC000131402699 177265517 /nfs/dbraw/zinc/26/55/17/177265517.db2.gz QPBCNSATNUWVRX-JTQLQIEISA-N 1 0 223.341 2.330 10 0 BEAERO C[C@H]1C[N@H+](Cc2ccncc2)CCS1 ZINC000130374261 177268448 /nfs/dbraw/zinc/26/84/48/177268448.db2.gz KSBGZSFCIVHOQB-JTQLQIEISA-N 1 0 208.330 2.019 10 0 BEAERO C[C@@H](CNc1ccccc1)[N@@H+]1CCO[C@@H](C)C1 ZINC000053486703 177273483 /nfs/dbraw/zinc/27/34/83/177273483.db2.gz JVJIYMDIGGEDRJ-STQMWFEESA-N 1 0 234.343 2.208 10 0 BEAERO C[C@@H](c1cccs1)N1CC[NH2+][C@@H](C)C1 ZINC000083061491 177274007 /nfs/dbraw/zinc/27/40/07/177274007.db2.gz DGDZSAJTUFJHIH-UWVGGRQHSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@@H]([C@H](O)c1ccccc1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061932774 177274400 /nfs/dbraw/zinc/27/44/00/177274400.db2.gz ZJERXGPXQQUWGO-YDHLFZDLSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C)[C@@H](C)CN1 ZINC000083085252 177274791 /nfs/dbraw/zinc/27/47/91/177274791.db2.gz KAFFRBCEVUNVSE-ZDEQEGDKSA-N 1 0 210.365 2.247 10 0 BEAERO C[C@@H]1CN([C@]2(C[NH3+])CCCC[C@@H]2C)C[C@H](C)O1 ZINC000019515834 177276054 /nfs/dbraw/zinc/27/60/54/177276054.db2.gz YYTZQACFASOKKM-FQUUOJAGSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1CN([C@H](C[NH3+])CC(C)(C)C)CC(C)(C)O1 ZINC000061840019 177276501 /nfs/dbraw/zinc/27/65/01/177276501.db2.gz XDCNLAUDLNZSMB-RYUDHWBXSA-N 1 0 242.407 2.249 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccco1 ZINC000094432867 177279765 /nfs/dbraw/zinc/27/97/65/177279765.db2.gz HAINTICPDIWHCU-QWHCGFSZSA-N 1 0 234.343 2.338 10 0 BEAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCF ZINC000367211693 177280774 /nfs/dbraw/zinc/28/07/74/177280774.db2.gz MJRBMBDYQXSWDF-QWHCGFSZSA-N 1 0 228.355 2.295 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1(C)CCC1 ZINC000300385496 177280854 /nfs/dbraw/zinc/28/08/54/177280854.db2.gz NPQFQOZOICTOLJ-STQMWFEESA-N 1 0 222.376 2.345 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1CCc1cccs1 ZINC000041280761 177281638 /nfs/dbraw/zinc/28/16/38/177281638.db2.gz FBRHPOILMJUJMK-NSHDSACASA-N 1 0 238.400 2.363 10 0 BEAERO C[C@H]1C[NH2+]CCN(c2ccc(F)c(F)c2)C1 ZINC000049661455 177282400 /nfs/dbraw/zinc/28/24/00/177282400.db2.gz IXZZZYPTMZZMIL-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[C@H]1C[NH2+]CCN(c2cc(F)cc(F)c2)C1 ZINC000049661697 177283164 /nfs/dbraw/zinc/28/31/64/177283164.db2.gz KQYVNBDRPUIJSD-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[C@H]1COC[C@@H](CCc2ccccc2F)[NH2+]1 ZINC000071524997 177299225 /nfs/dbraw/zinc/29/92/25/177299225.db2.gz SJJYQOSMMAKIBA-CMPLNLGQSA-N 1 0 223.291 2.135 10 0 BEAERO C[C@H]1CSC(NCc2cccc(F)c2)=[NH+]1 ZINC000035295218 177302767 /nfs/dbraw/zinc/30/27/67/177302767.db2.gz AAUJSRVZAPLNHV-QMMMGPOBSA-N 1 0 224.304 2.407 10 0 BEAERO C[C@@H](NC1=[NH+][C@@H](C)CS1)c1ccco1 ZINC000035739653 177302982 /nfs/dbraw/zinc/30/29/82/177302982.db2.gz PMNILDFQAOZPHW-JGVFFNPUSA-N 1 0 210.302 2.422 10 0 BEAERO C[C@H]1CC[N@H+](CCC2(O)CC2)C[C@@H](C)C1 ZINC000336561207 177310634 /nfs/dbraw/zinc/31/06/34/177310634.db2.gz CUSRLDYKDPQMFX-RYUDHWBXSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@@H+](CC2(N)CCCC2)C1 ZINC000037479582 177313106 /nfs/dbraw/zinc/31/31/06/177313106.db2.gz XQWRZUVXVDLOOQ-TXEJJXNPSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cccnc2)C1 ZINC000019261412 177314466 /nfs/dbraw/zinc/31/44/66/177314466.db2.gz JPQSIQUAQMFLSO-SCRDCRAPSA-N 1 0 233.359 2.059 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@@H]1C ZINC000228195776 177350303 /nfs/dbraw/zinc/35/03/03/177350303.db2.gz RUJRMPNSEPZXNI-CWSCBRNRSA-N 1 0 205.301 2.321 10 0 BEAERO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(O)c(N)c2)C1 ZINC000037272581 177358123 /nfs/dbraw/zinc/35/81/23/177358123.db2.gz BCVCZBKCKWMNDX-QWRGUYRKSA-N 1 0 234.343 2.452 10 0 BEAERO C[C@H]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068593019 177359705 /nfs/dbraw/zinc/35/97/05/177359705.db2.gz JZDOXTQRTHHGOG-OBJOEFQTSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc2ccccc2n1 ZINC000216237857 177362315 /nfs/dbraw/zinc/36/23/15/177362315.db2.gz GIPIDOVWVLKPFA-NWDGAFQWSA-N 1 0 241.338 2.408 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000341448559 177363258 /nfs/dbraw/zinc/36/32/58/177363258.db2.gz BPNDRHYNUQYLBT-RGDJUOJXSA-N 1 0 241.375 2.347 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)NCC1CCCC1 ZINC000055127062 177364460 /nfs/dbraw/zinc/36/44/60/177364460.db2.gz NYRCRAYRHQXYDQ-UHTWSYAYSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1cc(F)c(F)cc1F ZINC000061094252 177365044 /nfs/dbraw/zinc/36/50/44/177365044.db2.gz NJNQXPRGVVMTRZ-JGVFFNPUSA-N 1 0 244.260 2.420 10 0 BEAERO C[C@H]1C[C@H]([NH2+]Cc2nncn2C)CC(C)(C)C1 ZINC000037989079 177371960 /nfs/dbraw/zinc/37/19/60/177371960.db2.gz QWFGQBSMIVXVDS-QWRGUYRKSA-N 1 0 236.363 2.120 10 0 BEAERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)CC1=CCCCC1 ZINC000104109319 177386707 /nfs/dbraw/zinc/38/67/07/177386707.db2.gz YSVWOYGQBSHYAG-UBHSHLNASA-N 1 0 248.370 2.086 10 0 BEAERO C[C@H]1Cc2c([nH+]c3ccccc3c2N)[C@@]1(C)O ZINC000013766031 177387612 /nfs/dbraw/zinc/38/76/12/177387612.db2.gz LEKKTQIRJGFRFP-RTHLEPHNSA-N 1 0 228.295 2.217 10 0 BEAERO C[C@H]1Cc2c([nH+]c3ccccc3c2N)[C@]1(C)O ZINC000013766036 177388173 /nfs/dbraw/zinc/38/81/73/177388173.db2.gz LEKKTQIRJGFRFP-RMLUDKJBSA-N 1 0 228.295 2.217 10 0 BEAERO C[C@H]1Cc2ccccc2N1CC(C)(C)[NH3+] ZINC000019685452 177390521 /nfs/dbraw/zinc/39/05/21/177390521.db2.gz IIAHOHJEQJSFJB-JTQLQIEISA-N 1 0 204.317 2.175 10 0 BEAERO C[C@@H](N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1(C)CC1 ZINC000377569533 177394866 /nfs/dbraw/zinc/39/48/66/177394866.db2.gz BHUXVFJUCZSWOL-IJLUTSLNSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]CCc1ccsc1 ZINC000119990861 177407191 /nfs/dbraw/zinc/40/71/91/177407191.db2.gz APTTXINYKXQMGN-MWLCHTKSSA-N 1 0 211.330 2.058 10 0 BEAERO CCC1CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079520344 487640984 /nfs/dbraw/zinc/64/09/84/487640984.db2.gz JRXZWONCEGLNJR-ORHYLEIMSA-N 1 0 238.375 2.214 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079520051 487641420 /nfs/dbraw/zinc/64/14/20/487641420.db2.gz CVVWGKZXCKLNCL-WFASDCNBSA-N 1 0 246.354 2.314 10 0 BEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079520330 487641740 /nfs/dbraw/zinc/64/17/40/487641740.db2.gz NQWJIYIPMWKROD-BZPMIXESSA-N 1 0 238.375 2.166 10 0 BEAERO Cc1cccc(COC[C@@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000503719513 226333125 /nfs/dbraw/zinc/33/31/25/226333125.db2.gz MJRRCRNFHHXCHT-ZFWWWQNUSA-N 1 0 246.354 2.296 10 0 BEAERO COc1ccc(C)cc1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400810550 226352022 /nfs/dbraw/zinc/35/20/22/226352022.db2.gz YEJDGFZEBRYUCD-NEPJUHHUSA-N 1 0 234.343 2.414 10 0 BEAERO Cc1cccc(OCC[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000401853130 226362429 /nfs/dbraw/zinc/36/24/29/226362429.db2.gz VSLUINKXPLMYSJ-UONOGXRCSA-N 1 0 249.354 2.077 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000228487939 487657347 /nfs/dbraw/zinc/65/73/47/487657347.db2.gz ASQPQUCHQSOUCQ-JHJVBQTASA-N 1 0 240.391 2.397 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H]1C ZINC000322366732 487671401 /nfs/dbraw/zinc/67/14/01/487671401.db2.gz YCLWOXKIXPECFW-MOLYVOAJSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@H]([NH3+])CNc1ncc(Cl)cc1Cl ZINC000082575652 487678406 /nfs/dbraw/zinc/67/84/06/487678406.db2.gz HXSYZRKLSLGRCR-RXMQYKEDSA-N 1 0 220.103 2.148 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000054073565 487682672 /nfs/dbraw/zinc/68/26/72/487682672.db2.gz ORUAHDMQTSJETE-YPMHNXCESA-N 1 0 248.370 2.498 10 0 BEAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1C ZINC000097092378 487688153 /nfs/dbraw/zinc/68/81/53/487688153.db2.gz YRQJMOAZDBMHFO-OLZOCXBDSA-N 1 0 246.354 2.475 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1nccs1 ZINC000226268172 487694781 /nfs/dbraw/zinc/69/47/81/487694781.db2.gz HTUQMEFOXRLHQE-OPRDCNLKSA-N 1 0 226.345 2.097 10 0 BEAERO CC[C@H]([NH2+]Cc1nncn1CC)[C@@H]1CC1(C)C ZINC000397654868 262928709 /nfs/dbraw/zinc/92/87/09/262928709.db2.gz BLRNNAPBAIBRLJ-QWRGUYRKSA-N 1 0 236.363 2.212 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCNC1=O ZINC000395834100 487703630 /nfs/dbraw/zinc/70/36/30/487703630.db2.gz XDJPZYIEQSOQEW-QWHCGFSZSA-N 1 0 246.354 2.172 10 0 BEAERO Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054291021 487709336 /nfs/dbraw/zinc/70/93/36/487709336.db2.gz LFTVNDCYPMJYMA-CQSZACIVSA-N 1 0 246.354 2.001 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cs1 ZINC000328567976 487715015 /nfs/dbraw/zinc/71/50/15/487715015.db2.gz OPGPEJICJDZSCY-NWDGAFQWSA-N 1 0 225.357 2.450 10 0 BEAERO Cc1ccc(F)cc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136302739 487723669 /nfs/dbraw/zinc/72/36/69/487723669.db2.gz GZGFUOLRNJQONM-NSHDSACASA-N 1 0 238.306 2.446 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)c1ccc(F)cc1 ZINC000136447480 487736206 /nfs/dbraw/zinc/73/62/06/487736206.db2.gz DNXYMVIVLSTTAF-LBPRGKRZSA-N 1 0 238.306 2.162 10 0 BEAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)C[C@@H]1CCCCO1 ZINC000310505242 487742841 /nfs/dbraw/zinc/74/28/41/487742841.db2.gz KGIDHJRAGNWXMJ-RDBSUJKOSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@H](NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C(C)C ZINC000399531281 487746532 /nfs/dbraw/zinc/74/65/32/487746532.db2.gz RYTKCIHRQDZCJW-WOPDTQHZSA-N 1 0 228.380 2.157 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000251287356 487753010 /nfs/dbraw/zinc/75/30/10/487753010.db2.gz FMDWKXWDXKIGMO-MJBXVCDLSA-N 1 0 246.354 2.032 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000234039642 487759191 /nfs/dbraw/zinc/75/91/91/487759191.db2.gz HJLUNXWMFWHASI-RYUDHWBXSA-N 1 0 240.391 2.315 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251504508 487760814 /nfs/dbraw/zinc/76/08/14/487760814.db2.gz DZLSMHGYUNZBHC-WUHRBBMRSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1cc(C[NH2+][C@H](CO)C2CCC2)cc(C)c1O ZINC000668456747 487780469 /nfs/dbraw/zinc/78/04/69/487780469.db2.gz LJYCRTQKWYOXDS-CQSZACIVSA-N 1 0 249.354 2.260 10 0 BEAERO C[C@@H]1CCSCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000385403752 487785347 /nfs/dbraw/zinc/78/53/47/487785347.db2.gz OJWFUNCPPUXJPP-JHJVBQTASA-N 1 0 243.416 2.365 10 0 BEAERO CC[C@@H]1CN(c2ccc(Cl)cn2)CC[C@H]1[NH3+] ZINC000251842544 487801799 /nfs/dbraw/zinc/80/17/99/487801799.db2.gz QXXBSFZPUCWUAW-MWLCHTKSSA-N 1 0 239.750 2.299 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@H](C)CC[C@H]1C ZINC000251917019 487807845 /nfs/dbraw/zinc/80/78/45/487807845.db2.gz UKDYKCXNFJNRIX-IJLUTSLNSA-N 1 0 226.364 2.007 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000367602675 487815942 /nfs/dbraw/zinc/81/59/42/487815942.db2.gz VIMIXFZOKUEPTO-LBELIVKGSA-N 1 0 227.323 2.424 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000089449538 487816348 /nfs/dbraw/zinc/81/63/48/487816348.db2.gz ZJZMZLZFSIYHHH-CABZTGNLSA-N 1 0 236.290 2.139 10 0 BEAERO Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089449820 487816933 /nfs/dbraw/zinc/81/69/33/487816933.db2.gz WKXVXDFUMWRWBJ-YPMHNXCESA-N 1 0 232.327 2.309 10 0 BEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089449764 487817043 /nfs/dbraw/zinc/81/70/43/487817043.db2.gz PYTBRZXSBZKZMM-WCQYABFASA-N 1 0 232.327 2.309 10 0 BEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089448608 487818381 /nfs/dbraw/zinc/81/83/81/487818381.db2.gz WQVMIHUDYOMBDN-BNOWGMLFSA-N 1 0 246.354 2.239 10 0 BEAERO CN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462520 487822440 /nfs/dbraw/zinc/82/24/40/487822440.db2.gz SFGUXHRADQEMDK-QWHCGFSZSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089462782 487822955 /nfs/dbraw/zinc/82/29/55/487822955.db2.gz WQVMIHUDYOMBDN-FPMFFAJLSA-N 1 0 246.354 2.239 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462895 487823220 /nfs/dbraw/zinc/82/32/20/487823220.db2.gz PAPSMKOJMWBYFL-UPJWGTAASA-N 1 0 238.375 2.153 10 0 BEAERO CC1(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000089461059 487823722 /nfs/dbraw/zinc/82/37/22/487823722.db2.gz YAQXSPAVLVXGTQ-NEPJUHHUSA-N 1 0 238.375 2.200 10 0 BEAERO CCC(CC)(CC)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089482211 487825917 /nfs/dbraw/zinc/82/59/17/487825917.db2.gz OVSLVDMZMYAWEV-VXGBXAGGSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)(C)[C@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000676391208 487842756 /nfs/dbraw/zinc/84/27/56/487842756.db2.gz SLXFOKKDPWFABJ-SECBINFHSA-N 1 0 233.302 2.125 10 0 BEAERO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000386406678 487843838 /nfs/dbraw/zinc/84/38/38/487843838.db2.gz FHWJLLVPWDJRJI-ZSBIGDGJSA-N 1 0 242.322 2.274 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1(C)C ZINC000334163926 487859628 /nfs/dbraw/zinc/85/96/28/487859628.db2.gz ZJKHJBTXPVRQIP-AEJSXWLSSA-N 1 0 227.348 2.338 10 0 BEAERO C[C@@H](C[N@@H+]1CC[C@H](CCO)C1)C(C)(C)C ZINC000670264402 487866292 /nfs/dbraw/zinc/86/62/92/487866292.db2.gz BBQSHNKBKFDWTQ-NWDGAFQWSA-N 1 0 213.365 2.373 10 0 BEAERO CCc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000084447322 322960756 /nfs/dbraw/zinc/96/07/56/322960756.db2.gz ZYGPCXQQHILSPQ-UHFFFAOYSA-N 1 0 219.328 2.110 10 0 BEAERO C[C@@H](C1CC1)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000036782825 487877138 /nfs/dbraw/zinc/87/71/38/487877138.db2.gz TTZHVAWRRTYCQH-JTQLQIEISA-N 1 0 232.327 2.016 10 0 BEAERO C[C@H](CC[NH2+]C1CCCCCC1)[S@](C)=O ZINC000132588839 322969265 /nfs/dbraw/zinc/96/92/65/322969265.db2.gz ROIDNYDXEOEWLM-IAQYHMDHSA-N 1 0 231.405 2.456 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150177289 322982809 /nfs/dbraw/zinc/98/28/09/322982809.db2.gz SBWFZGJLLMEVHJ-UHFFFAOYSA-N 1 0 241.281 2.485 10 0 BEAERO COC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000395988107 487888630 /nfs/dbraw/zinc/88/86/30/487888630.db2.gz DIHARLXSMYOJFP-IHRRRGAJSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229665060 487935501 /nfs/dbraw/zinc/93/55/01/487935501.db2.gz ACOFQETUSDSVSA-GXFFZTMASA-N 1 0 230.311 2.435 10 0 BEAERO CC(C)(O)C[NH2+]CCc1cccc2cccnc21 ZINC000159366117 322965523 /nfs/dbraw/zinc/96/55/23/322965523.db2.gz WAAMOUZJBOXIQU-UHFFFAOYSA-N 1 0 244.338 2.138 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000570507884 323061661 /nfs/dbraw/zinc/06/16/61/323061661.db2.gz MUDUDIBGNFQQIK-SDDRHHMPSA-N 1 0 246.345 2.400 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000313492846 323091988 /nfs/dbraw/zinc/09/19/88/323091988.db2.gz PQJOBGHOXZKROO-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)n1nnnc1C[NH2+]C1(C2CCC2)CCC1 ZINC000563110823 323092863 /nfs/dbraw/zinc/09/28/63/323092863.db2.gz VGWJSGIFWJBIRY-UHFFFAOYSA-N 1 0 249.362 2.066 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000307945254 323123827 /nfs/dbraw/zinc/12/38/27/323123827.db2.gz IDIRJHHZTUIQRW-HLTSFMKQSA-N 1 0 225.254 2.078 10 0 BEAERO OC1CC(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000308548252 323175265 /nfs/dbraw/zinc/17/52/65/323175265.db2.gz WLYGZCOUAAFNMT-UHFFFAOYSA-N 1 0 239.746 2.243 10 0 BEAERO Cc1nc(C[N@H+]2C[C@H](O)CC[C@@H]2C)sc1C ZINC000399244902 323201584 /nfs/dbraw/zinc/20/15/84/323201584.db2.gz NGFHETBMUMBLGN-GZMMTYOYSA-N 1 0 240.372 2.105 10 0 BEAERO C[NH+](C)Cc1ccc(N[C@@H]2CCCC[C@H]2O)cc1 ZINC000563976589 323338424 /nfs/dbraw/zinc/33/84/24/323338424.db2.gz YMKANEIEBXNEQN-HUUCEWRRSA-N 1 0 248.370 2.464 10 0 BEAERO COc1cccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396728744 323656329 /nfs/dbraw/zinc/65/63/29/323656329.db2.gz ZYCYYLCFKYSNOB-SLEUVZQESA-N 1 0 248.370 2.486 10 0 BEAERO CCOCC[NH+]1CCC(OCC(C)C)CC1 ZINC000056507870 323907645 /nfs/dbraw/zinc/90/76/45/323907645.db2.gz JSYSOTJOQWIBSY-UHFFFAOYSA-N 1 0 229.364 2.160 10 0 BEAERO CC(C)[N@H+](C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000061165619 324059619 /nfs/dbraw/zinc/05/96/19/324059619.db2.gz BOJSNGNPBAWIAT-GFCCVEGCSA-N 1 0 229.364 2.035 10 0 BEAERO COC[C@@H](C)C[NH2+]C[C@H](OC)c1ccccc1 ZINC000123116322 324082155 /nfs/dbraw/zinc/08/21/55/324082155.db2.gz GUODHJPUVGVKET-JSGCOSHPSA-N 1 0 237.343 2.246 10 0 BEAERO [NH3+]Cc1cnc(-c2cnc(C3CC3)o2)s1 ZINC000530250434 324559594 /nfs/dbraw/zinc/55/95/94/324559594.db2.gz JSBZTPRKLLXIEN-UHFFFAOYSA-N 1 0 221.285 2.134 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000126719867 324712000 /nfs/dbraw/zinc/71/20/00/324712000.db2.gz OQRAMJKRFVRKNL-DGCLKSJQSA-N 1 0 221.348 2.397 10 0 BEAERO C[S@](=O)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000126759506 324713737 /nfs/dbraw/zinc/71/37/37/324713737.db2.gz YVMYZWYHYDFDMN-CZUORRHYSA-N 1 0 237.368 2.032 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)c2ccoc2)c1 ZINC000127253260 324756892 /nfs/dbraw/zinc/75/68/92/324756892.db2.gz LDHUSNBYTKSALX-LLVKDONJSA-N 1 0 219.288 2.135 10 0 BEAERO C[NH+](C)CC1CCC(NC(=O)C2(C)CC2)CC1 ZINC000130306113 325037045 /nfs/dbraw/zinc/03/70/45/325037045.db2.gz RFSRPMYURNMIIV-UHFFFAOYSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1ccc(O)c(C[NH2+]CC2(C3CC3)CC2)n1 ZINC000130719503 325082463 /nfs/dbraw/zinc/08/24/63/325082463.db2.gz MDMVFOSHHGHFMY-UHFFFAOYSA-N 1 0 232.327 2.375 10 0 BEAERO COC[C@H](C)C[NH2+]CCc1ccccc1F ZINC000131328359 325137243 /nfs/dbraw/zinc/13/72/43/325137243.db2.gz BUHLENCFNYCOSB-LLVKDONJSA-N 1 0 225.307 2.240 10 0 BEAERO COC[C@H](C)CNc1cccc(C[NH+](C)C)c1 ZINC000131759676 325182088 /nfs/dbraw/zinc/18/20/88/325182088.db2.gz DESLLWVREXAYOW-GFCCVEGCSA-N 1 0 236.359 2.443 10 0 BEAERO CC1=C[C@H](C)C[C@H](C[NH2+]CC2CC(O)C2)C1 ZINC000235374215 325261704 /nfs/dbraw/zinc/26/17/04/325261704.db2.gz RMUZSCAOMIBXAC-UZYDLOFFSA-N 1 0 223.360 2.339 10 0 BEAERO Oc1ccc2c(c1)[C@H]([NH2+]CC1CC(O)C1)CCC2 ZINC000236479134 325314238 /nfs/dbraw/zinc/31/42/38/325314238.db2.gz CYKNDULKFHGPBT-JHANDDDOSA-N 1 0 247.338 2.130 10 0 BEAERO CCN(C)c1ccc(C[NH2+][C@H]2C[C@H]2C)cn1 ZINC000249649636 325658557 /nfs/dbraw/zinc/65/85/57/325658557.db2.gz UMKVQTLSNVCRRL-PWSUYJOCSA-N 1 0 219.332 2.036 10 0 BEAERO Cc1cc(C)c(C[NH2+]CC2CC(O)C2)c(C)c1 ZINC000091425719 325686752 /nfs/dbraw/zinc/68/67/52/325686752.db2.gz CHEVSXOCHPDIGA-UHFFFAOYSA-N 1 0 233.355 2.472 10 0 BEAERO OC1CC(C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000091524666 325687264 /nfs/dbraw/zinc/68/72/64/325687264.db2.gz KRCLHEXKIGQBQJ-UHFFFAOYSA-N 1 0 230.311 2.028 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000252716356 325692575 /nfs/dbraw/zinc/69/25/75/325692575.db2.gz YGEIZISVEKTMMO-MROQNXINSA-N 1 0 211.349 2.316 10 0 BEAERO CCCn1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000253113921 325709844 /nfs/dbraw/zinc/70/98/44/325709844.db2.gz DZYIBXGYWHJAKG-HDJSIYSDSA-N 1 0 236.359 2.291 10 0 BEAERO C[C@@H](C[NH2+][C@@H]1CCCNC1=O)C1CCCCC1 ZINC000310389225 487969295 /nfs/dbraw/zinc/96/92/95/487969295.db2.gz FRQJWKFNKJSLSU-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)[NH2+]CCCNc1ccc2ccccc2n1 ZINC000566058955 325988925 /nfs/dbraw/zinc/98/89/25/325988925.db2.gz KPGFZJPHVMMPSE-UHFFFAOYSA-N 1 0 243.354 2.457 10 0 BEAERO CCC[C@H](C(=O)N1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC000153732662 326110844 /nfs/dbraw/zinc/11/08/44/326110844.db2.gz FPNGPWQDPDNFJK-JHJVBQTASA-N 1 0 240.391 2.221 10 0 BEAERO CC[NH2+]CCCNc1nccc(C(C)(C)C)n1 ZINC000310591521 326195840 /nfs/dbraw/zinc/19/58/40/326195840.db2.gz ZOFTYGFBOFKSPT-UHFFFAOYSA-N 1 0 236.363 2.186 10 0 BEAERO COc1cccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000567647158 326238184 /nfs/dbraw/zinc/23/81/84/326238184.db2.gz WUTOXTAPJJZQIE-VXGBXAGGSA-N 1 0 234.343 2.495 10 0 BEAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCC(N)=O ZINC000156730302 326240945 /nfs/dbraw/zinc/24/09/45/326240945.db2.gz WJVMUKKCZALLNA-AWEZNQCLSA-N 1 0 246.354 2.165 10 0 BEAERO CC(C)C[C@H](N)C[N@H+](CC1CC1)C(C)C ZINC000042593628 487971964 /nfs/dbraw/zinc/97/19/64/487971964.db2.gz BMVPESYALRXJTD-ZDUSSCGKSA-N 1 0 212.381 2.480 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000220421421 487982888 /nfs/dbraw/zinc/98/28/88/487982888.db2.gz IWCRDWOGCJZGLX-QJPTWQEYSA-N 1 0 226.364 2.199 10 0 BEAERO CC[C@H](C)N(CC)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000309590934 487990374 /nfs/dbraw/zinc/99/03/74/487990374.db2.gz UTCCJLIKIDQZPB-NWDGAFQWSA-N 1 0 226.364 2.166 10 0 BEAERO C[C@H]([NH3+])CCNc1nccc2ccccc21 ZINC000123790866 488010522 /nfs/dbraw/zinc/01/05/22/488010522.db2.gz HOVYLEYYGQTQOD-JTQLQIEISA-N 1 0 215.300 2.384 10 0 BEAERO Cn1nccc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000236094546 488041256 /nfs/dbraw/zinc/04/12/56/488041256.db2.gz QMHNQFMSEMLILM-GFCCVEGCSA-N 1 0 213.284 2.033 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)CC1 ZINC000084446554 488052456 /nfs/dbraw/zinc/05/24/56/488052456.db2.gz PSZYFILGVOTIIW-CQLXCSJHSA-N 1 0 211.349 2.316 10 0 BEAERO CSc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000084446915 488052566 /nfs/dbraw/zinc/05/25/66/488052566.db2.gz CEPYUIDLJSBKFR-UHFFFAOYSA-N 1 0 237.368 2.269 10 0 BEAERO Cc1ccc(CN(C)C(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136307227 488094016 /nfs/dbraw/zinc/09/40/16/488094016.db2.gz BEGYGMYNWXZSQA-AWEZNQCLSA-N 1 0 248.370 2.327 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCc2ccccc21 ZINC000136316803 488095223 /nfs/dbraw/zinc/09/52/23/488095223.db2.gz VBGPXWGJCLUCSI-UONOGXRCSA-N 1 0 246.354 2.164 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCC1CCCCC1 ZINC000136365285 488099401 /nfs/dbraw/zinc/09/94/01/488099401.db2.gz OUZMJXJFCPSPFA-ZDUSSCGKSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCCC1CCCCC1 ZINC000136365260 488099982 /nfs/dbraw/zinc/09/99/82/488099982.db2.gz OUZMJXJFCPSPFA-CYBMUJFWSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCC1CCC(C)CC1 ZINC000136461218 488103349 /nfs/dbraw/zinc/10/33/49/488103349.db2.gz CUUJNMUWTIOJEH-WXRRBKDZSA-N 1 0 240.391 2.302 10 0 BEAERO Cc1cccc(CCNC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136450897 488103578 /nfs/dbraw/zinc/10/35/78/488103578.db2.gz UTTIUYPEXWGHSL-AWEZNQCLSA-N 1 0 248.370 2.027 10 0 BEAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccc1F ZINC000136453882 488103461 /nfs/dbraw/zinc/10/34/61/488103461.db2.gz HMXNFXWXZHJJEJ-GFCCVEGCSA-N 1 0 238.306 2.446 10 0 BEAERO CC[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136469802 488104749 /nfs/dbraw/zinc/10/47/49/488104749.db2.gz LSEZKZRBIXGCCU-STQMWFEESA-N 1 0 240.391 2.399 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC12CCC2 ZINC000389692292 488105467 /nfs/dbraw/zinc/10/54/67/488105467.db2.gz HWRFIFKIZYJZHR-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO Cc1ccccc1CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136487238 488105823 /nfs/dbraw/zinc/10/58/23/488105823.db2.gz BDGCNQICECEWDS-CQSZACIVSA-N 1 0 248.370 2.027 10 0 BEAERO Cc1cc(F)cc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136483584 488105833 /nfs/dbraw/zinc/10/58/33/488105833.db2.gz XMIKGFKZOVLUDQ-GFCCVEGCSA-N 1 0 238.306 2.446 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000378797628 488106313 /nfs/dbraw/zinc/10/63/13/488106313.db2.gz RMSLPVPPWZGIHI-RFQIPJPRSA-N 1 0 223.360 2.458 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000378797626 488106177 /nfs/dbraw/zinc/10/61/77/488106177.db2.gz RMSLPVPPWZGIHI-DGAVXFQQSA-N 1 0 223.360 2.458 10 0 BEAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000324125503 487536495 /nfs/dbraw/zinc/53/64/95/487536495.db2.gz OJURPCKGNSIYFX-AVGNSLFASA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCS1 ZINC000309723904 488111330 /nfs/dbraw/zinc/11/13/30/488111330.db2.gz CPCKIVDEZIUISV-JHJVBQTASA-N 1 0 243.416 2.365 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403436547 488123184 /nfs/dbraw/zinc/12/31/84/488123184.db2.gz YYLUUAFFBGREEM-MCIONIFRSA-N 1 0 233.359 2.217 10 0 BEAERO CCC[C@H]([NH3+])C(=O)Nc1cc(C)cc(C)c1O ZINC000094574562 487545718 /nfs/dbraw/zinc/54/57/18/487545718.db2.gz QQLDAFBVIHEXIW-JTQLQIEISA-N 1 0 236.315 2.075 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C)c1O ZINC000094574563 487545922 /nfs/dbraw/zinc/54/59/22/487545922.db2.gz QQLDAFBVIHEXIW-SNVBAGLBSA-N 1 0 236.315 2.075 10 0 BEAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000094574601 487546473 /nfs/dbraw/zinc/54/64/73/487546473.db2.gz GPKAFNRXUISONA-WDEREUQCSA-N 1 0 248.326 2.075 10 0 BEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c(C)n1 ZINC000094665926 487550032 /nfs/dbraw/zinc/55/00/32/487550032.db2.gz QMUMBJXIIRCXGU-NWDGAFQWSA-N 1 0 247.342 2.012 10 0 BEAERO CC(C)[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)C1CC1 ZINC000324195403 487553979 /nfs/dbraw/zinc/55/39/79/487553979.db2.gz XIMACSCRYXTBRY-TZMCWYRMSA-N 1 0 238.375 2.069 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)[C@@H](C)C1 ZINC000382103965 487531600 /nfs/dbraw/zinc/53/16/00/487531600.db2.gz CIMUTOWEXFOKDX-QNSTZXKLSA-N 1 0 222.376 2.105 10 0 BEAERO C[C@H](CCCCO)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000684963520 487475988 /nfs/dbraw/zinc/47/59/88/487475988.db2.gz SFSQLUUVDIOQIO-JHJVBQTASA-N 1 0 243.391 2.331 10 0 BEAERO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061589429 487477221 /nfs/dbraw/zinc/47/72/21/487477221.db2.gz MHNHTTGTHMDZTR-NWDGAFQWSA-N 1 0 230.421 2.202 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C)c1O ZINC000093654877 487481096 /nfs/dbraw/zinc/48/10/96/487481096.db2.gz UAKGNWBXRVHEEU-GZMMTYOYSA-N 1 0 236.315 2.013 10 0 BEAERO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000300585534 487491928 /nfs/dbraw/zinc/49/19/28/487491928.db2.gz CJAWCZBJODHCLG-MISXGVKJSA-N 1 0 247.338 2.394 10 0 BEAERO O[C@H]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000227726714 487494593 /nfs/dbraw/zinc/49/45/93/487494593.db2.gz SGQMSGXRFKZFEM-OLZOCXBDSA-N 1 0 211.349 2.414 10 0 BEAERO O[C@H]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000227726724 487494627 /nfs/dbraw/zinc/49/46/27/487494627.db2.gz SGQMSGXRFKZFEM-STQMWFEESA-N 1 0 211.349 2.414 10 0 BEAERO O[C@@H]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000227726708 487494682 /nfs/dbraw/zinc/49/46/82/487494682.db2.gz SGQMSGXRFKZFEM-CHWSQXEVSA-N 1 0 211.349 2.414 10 0 BEAERO CCC1(C)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000062955298 487505648 /nfs/dbraw/zinc/50/56/48/487505648.db2.gz QZHCQVIEGGTFAX-VXGBXAGGSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CCCCC1(F)F ZINC000381685907 487518452 /nfs/dbraw/zinc/51/84/52/487518452.db2.gz MUXQGQAKHJUHJC-TUAOUCFPSA-N 1 0 246.345 2.494 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000381706755 487521134 /nfs/dbraw/zinc/52/11/34/487521134.db2.gz JMRVHPFGYYEIFG-XQQFMLRXSA-N 1 0 222.376 2.249 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000313469913 487525401 /nfs/dbraw/zinc/52/54/01/487525401.db2.gz MOWFBOXPCNSRMA-NEPJUHHUSA-N 1 0 240.391 2.304 10 0 BEAERO CC[C@H](CO)[NH2+]Cc1cccc2cnccc21 ZINC000061125034 487606385 /nfs/dbraw/zinc/60/63/85/487606385.db2.gz COBKTNCXWWROGC-CYBMUJFWSA-N 1 0 230.311 2.095 10 0 BEAERO c1cc2cnccc2c(C[NH2+]C[C@H]2CCOC2)c1 ZINC000061125357 487606724 /nfs/dbraw/zinc/60/67/24/487606724.db2.gz WEBUEIQLLFAELV-GFCCVEGCSA-N 1 0 242.322 2.361 10 0 BEAERO O[C@@H](C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C(F)(F)F ZINC000134279239 487977076 /nfs/dbraw/zinc/97/70/76/487977076.db2.gz HYXKNJHZBZEFQB-GUBZILKMSA-N 1 0 237.265 2.174 10 0 BEAERO CO[C@]1(C)CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000380036186 488168412 /nfs/dbraw/zinc/16/84/12/488168412.db2.gz HVHWZVMAOUAQNF-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1c(F)cccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136443684 488179805 /nfs/dbraw/zinc/17/98/05/488179805.db2.gz MWFRNZMXYBBWBP-NSHDSACASA-N 1 0 238.306 2.446 10 0 BEAERO Cc1cnc(CC[N@H+]2C[C@H](O)CC[C@@H]2C)c(C)c1 ZINC000401021219 488180285 /nfs/dbraw/zinc/18/02/85/488180285.db2.gz GYNKIRHZGOTRTM-UONOGXRCSA-N 1 0 248.370 2.086 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOCc1ccccc1 ZINC000399285343 488228708 /nfs/dbraw/zinc/22/87/08/488228708.db2.gz KLASCILOUCUAJM-DZGCQCFKSA-N 1 0 249.354 2.048 10 0 BEAERO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000300591645 490093442 /nfs/dbraw/zinc/09/34/42/490093442.db2.gz JWSQQIXHBHNZLR-NJZAAPMLSA-N 1 0 231.339 2.483 10 0 BEAERO c1sc2ccccc2c1N1CC[NH2+]CC1 ZINC000034579936 490106289 /nfs/dbraw/zinc/10/62/89/490106289.db2.gz MBFFEYZLTXREPK-UHFFFAOYSA-N 1 0 218.325 2.311 10 0 BEAERO c1ccc2nc(N[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000052093906 490203073 /nfs/dbraw/zinc/20/30/73/490203073.db2.gz FJTGMADUHJEMTM-LLVKDONJSA-N 1 0 213.284 2.009 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CCO1 ZINC000070356740 490209527 /nfs/dbraw/zinc/20/95/27/490209527.db2.gz CSKCYMUVTWQXBC-MQYQWHSLSA-N 1 0 241.375 2.083 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC1CCC1 ZINC000252960813 490268698 /nfs/dbraw/zinc/26/86/98/490268698.db2.gz UWHGQSMDKXOCER-OCCSQVGLSA-N 1 0 222.376 2.345 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCOC2)s1 ZINC000125269070 490425805 /nfs/dbraw/zinc/42/58/05/490425805.db2.gz KLIXCYGGAOYKLW-UWVGGRQHSA-N 1 0 226.345 2.281 10 0 BEAERO C[C@H](O)C[N@H+](C)Cc1cccc2cnccc21 ZINC000130804718 490454204 /nfs/dbraw/zinc/45/42/04/490454204.db2.gz GWZKKMYGWRWVRZ-NSHDSACASA-N 1 0 230.311 2.047 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccn1 ZINC000217637434 490476714 /nfs/dbraw/zinc/47/67/14/490476714.db2.gz YFLUNZHRXGGYBV-QJPTWQEYSA-N 1 0 220.316 2.036 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000300250015 490553170 /nfs/dbraw/zinc/55/31/70/490553170.db2.gz OASFTTQHRYHCSC-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000300519453 490565115 /nfs/dbraw/zinc/56/51/15/490565115.db2.gz LVGUCMMGRLYDTF-RQJABVFESA-N 1 0 241.375 2.085 10 0 BEAERO COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336727370 491109070 /nfs/dbraw/zinc/10/90/70/491109070.db2.gz CQHZOWQEYKFYAG-AVGNSLFASA-N 1 0 229.364 2.205 10 0 BEAERO COC[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336727369 491109075 /nfs/dbraw/zinc/10/90/75/491109075.db2.gz CQHZOWQEYKFYAG-AGIUHOORSA-N 1 0 229.364 2.205 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H](C)CC[NH3+])n1 ZINC000229932851 491121224 /nfs/dbraw/zinc/12/12/24/491121224.db2.gz NCJRSYQUXBXTPW-VIFPVBQESA-N 1 0 222.336 2.058 10 0 BEAERO CN1CCC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000124844135 491128663 /nfs/dbraw/zinc/12/86/63/491128663.db2.gz LLHHJYRBJYWGMZ-DGCLKSJQSA-N 1 0 234.343 2.341 10 0 BEAERO CO[C@@H](C[NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000132441451 491136148 /nfs/dbraw/zinc/13/61/48/491136148.db2.gz LKVJTSFJMXRHLC-VIFPVBQESA-N 1 0 237.196 2.491 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cncs1 ZINC000132631619 491137436 /nfs/dbraw/zinc/13/74/36/491137436.db2.gz JGVRKPDWYGORGA-AEJSXWLSSA-N 1 0 226.345 2.097 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000308825885 491138271 /nfs/dbraw/zinc/13/82/71/491138271.db2.gz DQTNOVBVKIPJQK-WXHSDQCUSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H](CC1CCC1)[NH2+]CC1(CCO)CC1 ZINC000133136622 491147155 /nfs/dbraw/zinc/14/71/55/491147155.db2.gz GTJCGHCZJWGLFJ-NSHDSACASA-N 1 0 211.349 2.317 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(Cl)o2)C1 ZINC000309426253 491149103 /nfs/dbraw/zinc/14/91/03/491149103.db2.gz FHRHNPWWNVNHDG-MWLCHTKSSA-N 1 0 242.750 2.363 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccc(Cl)o2)C1 ZINC000309426251 491149112 /nfs/dbraw/zinc/14/91/12/491149112.db2.gz FHRHNPWWNVNHDG-KOLCDFICSA-N 1 0 242.750 2.363 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cncn1C ZINC000310024717 491160295 /nfs/dbraw/zinc/16/02/95/491160295.db2.gz OROITIILJBFXCK-AAEUAGOBSA-N 1 0 221.348 2.479 10 0 BEAERO CC[C@@H](C)[C@@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757126913 582501141 /nfs/dbraw/zinc/50/11/41/582501141.db2.gz HUMQVOGBUSXCHM-GMSGAONNSA-N 1 0 228.361 2.032 10 0 BEAERO C[C@H](N1CCC[C@@]12CCC[NH2+]C2)C(F)(F)F ZINC000757134578 582510887 /nfs/dbraw/zinc/51/08/87/582510887.db2.gz WVUMGHUBNKUGOC-VHSXEESVSA-N 1 0 236.281 2.155 10 0 BEAERO Cc1noc(C)c1[C@H]1C[C@@H]2CC[NH2+]C[C@@H]21 ZINC000757143382 582523661 /nfs/dbraw/zinc/52/36/61/582523661.db2.gz WMRIYEAOEGSTAK-DCAQKATOSA-N 1 0 206.289 2.004 10 0 BEAERO C[C@H]1OC2(CC(CF)(CF)C2)[NH2+]CC1(C)C ZINC000757151426 582536085 /nfs/dbraw/zinc/53/60/85/582536085.db2.gz SNFPDQIEWIIFAK-SECBINFHSA-N 1 0 233.302 2.436 10 0 BEAERO c1ccc(C[C@H]2CCOC3(CCC3)[NH2+]2)cc1 ZINC000757151553 582536098 /nfs/dbraw/zinc/53/60/98/582536098.db2.gz QURRFPLVBCVMOU-CYBMUJFWSA-N 1 0 217.312 2.488 10 0 BEAERO C[C@@H]1OC2(CC(CF)(CF)C2)[NH2+]CC1(C)C ZINC000757151430 582536317 /nfs/dbraw/zinc/53/63/17/582536317.db2.gz SNFPDQIEWIIFAK-VIFPVBQESA-N 1 0 233.302 2.436 10 0 BEAERO Cc1cc(C[S@](=O)[C@H](C)C[NH3+])ccc1Cl ZINC000757155475 582539793 /nfs/dbraw/zinc/53/97/93/582539793.db2.gz CZZVWYKXCUCPNJ-PSLIRLAXSA-N 1 0 245.775 2.244 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153689 582538610 /nfs/dbraw/zinc/53/86/10/582538610.db2.gz QCJDUYHUNREGAN-RYUDHWBXSA-N 1 0 227.735 2.289 10 0 BEAERO C[NH2+]CC[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757155452 582540096 /nfs/dbraw/zinc/54/00/96/582540096.db2.gz CENGGDNPZSOZDO-NSHDSACASA-N 1 0 227.735 2.161 10 0 BEAERO C[NH2+]CCOCCSCc1occc1C ZINC000757164669 582546198 /nfs/dbraw/zinc/54/61/98/582546198.db2.gz IACFZRPTDPKAQY-UHFFFAOYSA-N 1 0 229.345 2.057 10 0 BEAERO [NH3+]CC1([C@@H](O)c2ccc(Cl)s2)CC1 ZINC000307296056 582655217 /nfs/dbraw/zinc/65/52/17/582655217.db2.gz QKIUMTFLSOUEGJ-QMMMGPOBSA-N 1 0 217.721 2.174 10 0 BEAERO CC(C)CCNc1nc2c(c(NN)[nH+]1)CCCC2 ZINC000057331708 519664591 /nfs/dbraw/zinc/66/45/91/519664591.db2.gz SGIOWUAUYYYMIN-UHFFFAOYSA-N 1 0 249.362 2.099 10 0 BEAERO CN1CCC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000221149077 536375794 /nfs/dbraw/zinc/37/57/94/536375794.db2.gz AIFKGYWNPNWFCC-BAPHQMLMSA-N 1 0 248.414 2.495 10 0 BEAERO Cc1ccc(C)c(C(=O)NCCCCC[NH3+])c1 ZINC000079867997 524085595 /nfs/dbraw/zinc/08/55/95/524085595.db2.gz PUSIQAHMTJJVKZ-UHFFFAOYSA-N 1 0 234.343 2.162 10 0 BEAERO CC(C)c1ncc(N2CCCCC2)c(C[NH3+])n1 ZINC000051396462 534898865 /nfs/dbraw/zinc/89/88/65/534898865.db2.gz DDOJSDFLPRGCRW-UHFFFAOYSA-N 1 0 234.347 2.049 10 0 BEAERO C[NH2+]Cc1cc(N2CCCC[C@@H]2C)ccn1 ZINC000051399413 536468929 /nfs/dbraw/zinc/46/89/29/536468929.db2.gz WLQMOCJLRLZIRW-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO COCCOCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000175679776 536499828 /nfs/dbraw/zinc/49/98/28/536499828.db2.gz PQNCSGCTHPLDPZ-GFCCVEGCSA-N 1 0 239.315 2.080 10 0 BEAERO CCOc1cccc(N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400710976 528675723 /nfs/dbraw/zinc/67/57/23/528675723.db2.gz DODPYUQOBBZFJO-NEPJUHHUSA-N 1 0 234.343 2.495 10 0 BEAERO CCC[NH+]1CCN(c2ccc(C=O)c(C)c2)CC1 ZINC000050569403 534932363 /nfs/dbraw/zinc/93/23/63/534932363.db2.gz CSGVCSYZPLNGJZ-UHFFFAOYSA-N 1 0 246.354 2.340 10 0 BEAERO CC1(C)[C@H]([NH2+]CCc2ccco2)[C@H]2CCO[C@H]21 ZINC000227064564 535071089 /nfs/dbraw/zinc/07/10/89/535071089.db2.gz XRKYGLHRWKHJPG-JHJVBQTASA-N 1 0 235.327 2.225 10 0 BEAERO CC(C)[NH+](Cc1nnc(C2CC2)n1C)C(C)C ZINC000180455003 535122675 /nfs/dbraw/zinc/12/26/75/535122675.db2.gz ZHJOUFHXFQMDQZ-UHFFFAOYSA-N 1 0 236.363 2.311 10 0 BEAERO CCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037184405 535186636 /nfs/dbraw/zinc/18/66/36/535186636.db2.gz FBYOCXNKUIXRJY-LLVKDONJSA-N 1 0 218.300 2.094 10 0 BEAERO CCCN(C(=O)C[C@H](C)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000178935191 535208755 /nfs/dbraw/zinc/20/87/55/535208755.db2.gz HDZVBSRUMZVRJA-QWHCGFSZSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000251725054 535304801 /nfs/dbraw/zinc/30/48/01/535304801.db2.gz CDUJPAWRSSODBD-MGPQQGTHSA-N 1 0 242.407 2.120 10 0 BEAERO CC1(C)CN(c2nc3ccccc3o2)CC[C@H]1[NH3+] ZINC000261557692 535359707 /nfs/dbraw/zinc/35/97/07/535359707.db2.gz CUJIZUPKWBDXOQ-GFCCVEGCSA-N 1 0 245.326 2.391 10 0 BEAERO CC[NH2+]C1CCN(c2cccc(COC)c2)CC1 ZINC000049508957 535453647 /nfs/dbraw/zinc/45/36/47/535453647.db2.gz VKLUFSZFHUCNJF-UHFFFAOYSA-N 1 0 248.370 2.411 10 0 BEAERO CCOCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000220883225 535552097 /nfs/dbraw/zinc/55/20/97/535552097.db2.gz BGOYOGMXORZZEP-SNVBAGLBSA-N 1 0 212.293 2.060 10 0 BEAERO CC[C@@H](C)[NH+]1CCN(c2ccc(CO)cc2)CC1 ZINC000055067958 535566726 /nfs/dbraw/zinc/56/67/26/535566726.db2.gz YHQRJVNIEBMUPQ-CYBMUJFWSA-N 1 0 248.370 2.099 10 0 BEAERO CC[C@@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000248372634 535567785 /nfs/dbraw/zinc/56/77/85/535567785.db2.gz BEAGOYFZLKJDCJ-GHMZBOCLSA-N 1 0 207.321 2.008 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261565744 535590603 /nfs/dbraw/zinc/59/06/03/535590603.db2.gz DEERDLRTARYVSP-WDEREUQCSA-N 1 0 226.364 2.008 10 0 BEAERO CCC[C@H](C)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000131007610 535608575 /nfs/dbraw/zinc/60/85/75/535608575.db2.gz ZFODZADDTNPYAB-COPLHBTASA-N 1 0 219.394 2.121 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000019477958 535845291 /nfs/dbraw/zinc/84/52/91/535845291.db2.gz AYBPAYUGFJBCBG-SMDDNHRTSA-N 1 0 246.354 2.339 10 0 BEAERO CCc1cccc(N2CC[NH2+]C[C@H]2C)c1 ZINC000016944939 535892482 /nfs/dbraw/zinc/89/24/82/535892482.db2.gz JEPKVRMUHUTYRY-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)C1CC1 ZINC000252714620 535932851 /nfs/dbraw/zinc/93/28/51/535932851.db2.gz SLEYBCITYXIAID-RWMBFGLXSA-N 1 0 211.349 2.316 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccc(F)cc2)[C@@H](C)C1 ZINC000049708574 536377676 /nfs/dbraw/zinc/37/76/76/536377676.db2.gz AKUTWGOYQZUILV-CMPLNLGQSA-N 1 0 222.307 2.402 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cccc(F)c2)[C@@H](C)C1 ZINC000049693964 536378224 /nfs/dbraw/zinc/37/82/24/536378224.db2.gz VSVREHSAVKEKFE-CMPLNLGQSA-N 1 0 222.307 2.402 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000049709224 536378360 /nfs/dbraw/zinc/37/83/60/536378360.db2.gz GYCHYUICMJAMLH-NWDGAFQWSA-N 1 0 204.317 2.263 10 0 BEAERO C[NH2+][C@H](C)CN1c2ccccc2CC[C@H]1C ZINC000044471791 536389942 /nfs/dbraw/zinc/38/99/42/536389942.db2.gz LTMAYAVVXUAUGQ-VXGBXAGGSA-N 1 0 218.344 2.436 10 0 BEAERO C[NH2+][C@H](C)[C@H]1CCCCN1c1cc(C)nc(C)n1 ZINC000104413362 536406541 /nfs/dbraw/zinc/40/65/41/536406541.db2.gz LTYMLEXSAHPKGF-DGCLKSJQSA-N 1 0 248.374 2.060 10 0 BEAERO C[N@H+](C[C@H]1CCCC(F)(F)C1)[C@@H](CN)C1CC1 ZINC000261538144 536443787 /nfs/dbraw/zinc/44/37/87/536443787.db2.gz IRSJDDXFEIPUBV-JQWIXIFHSA-N 1 0 246.345 2.481 10 0 BEAERO COc1ccc(Cl)cc1N1CC[NH2+][C@H](C)C1 ZINC000054348243 536567464 /nfs/dbraw/zinc/56/74/64/536567464.db2.gz CMNSWFLFMWHMDG-SECBINFHSA-N 1 0 240.734 2.147 10 0 BEAERO CCC1CCC([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052998 537861471 /nfs/dbraw/zinc/86/14/71/537861471.db2.gz JYFAEUGZCLVNSH-RTBKNWGFSA-N 1 0 239.281 2.455 10 0 BEAERO CCC[C@@H]1CC[C@H](O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245706 538002396 /nfs/dbraw/zinc/00/23/96/538002396.db2.gz LSOMZOBBXSSULA-FVCCEPFGSA-N 1 0 211.349 2.173 10 0 BEAERO CCCc1cc(C[NH3+])c(-c2ccnn2C)o1 ZINC000725257310 538062997 /nfs/dbraw/zinc/06/29/97/538062997.db2.gz KFAAYXXEENZAKN-UHFFFAOYSA-N 1 0 219.288 2.091 10 0 BEAERO CC(C)c1nc([C@H]2CCCCC[NH2+]2)n(C)n1 ZINC000080989972 538116556 /nfs/dbraw/zinc/11/65/56/538116556.db2.gz FVASQBRMZOHILJ-SNVBAGLBSA-N 1 0 222.336 2.143 10 0 BEAERO CC(C)(C)OC(=O)c1cc2c(s1)C[NH2+]C2 ZINC000669381467 566425194 /nfs/dbraw/zinc/42/51/94/566425194.db2.gz KJYQWBIEGZNYGJ-UHFFFAOYSA-N 1 0 225.313 2.307 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCN[C@@H]2C)C1 ZINC000396662731 583088115 /nfs/dbraw/zinc/08/81/15/583088115.db2.gz HJADJLLIWJBNFI-XQHKEYJVSA-N 1 0 210.365 2.105 10 0 BEAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000111618079 588764850 /nfs/dbraw/zinc/76/48/50/588764850.db2.gz PONDZTLCLIISJD-NWDGAFQWSA-N 1 0 240.391 2.460 10 0 BEAERO Cc1csc([C@@H](C)Nc2cc(C)[nH+]c(N)n2)n1 ZINC000112466016 588799203 /nfs/dbraw/zinc/79/92/03/588799203.db2.gz DASJXUVQIMYYSZ-MRVPVSSYSA-N 1 0 249.343 2.305 10 0 BEAERO CCOCCC[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757124003 582499521 /nfs/dbraw/zinc/49/95/21/582499521.db2.gz BELULRICDQELPM-ZIAGYGMSSA-N 1 0 240.391 2.020 10 0 BEAERO C[C@H]1C[NH2+]C[C@@]2(CCCN2CC(F)(F)F)C1 ZINC000757126832 582501473 /nfs/dbraw/zinc/50/14/73/582501473.db2.gz HHQKEGFNBFZOSR-NXEZZACHSA-N 1 0 236.281 2.013 10 0 BEAERO Cc1nc([C@@H](O)CC(C)C)sc1CC[NH3+] ZINC000757128241 582503043 /nfs/dbraw/zinc/50/30/43/582503043.db2.gz KDFUBOAUOCTJNI-VIFPVBQESA-N 1 0 228.361 2.032 10 0 BEAERO CN1CCc2cc(NCc3ccon3)ccc21 ZINC000757129973 582504603 /nfs/dbraw/zinc/50/46/03/582504603.db2.gz NERUSPMWSRQAMH-UHFFFAOYSA-N 1 0 229.283 2.279 10 0 BEAERO C[C@H](N1CCCC12CC[NH2+]CC2)C(F)(F)F ZINC000757130940 582504818 /nfs/dbraw/zinc/50/48/18/582504818.db2.gz OQZCQLKHTDNOFQ-VIFPVBQESA-N 1 0 236.281 2.155 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757130786 582504999 /nfs/dbraw/zinc/50/49/99/582504999.db2.gz NYYNHKFEJDZOOO-FRRDWIJNSA-N 1 0 210.365 2.391 10 0 BEAERO C[C@H](C1CC1)[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757134203 582510450 /nfs/dbraw/zinc/51/04/50/582510450.db2.gz WSKFFWZUIJQNCR-LLVKDONJSA-N 1 0 208.349 2.003 10 0 BEAERO Cc1nc([C@@H](O)C(C)(C)C)sc1CC[NH3+] ZINC000757134496 582511466 /nfs/dbraw/zinc/51/14/66/582511466.db2.gz YLKFFFJEMOKYTN-SECBINFHSA-N 1 0 228.361 2.032 10 0 BEAERO CCC[C@H]1CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757138150 582517140 /nfs/dbraw/zinc/51/71/40/582517140.db2.gz BABOWOAWXRPWGW-NWDGAFQWSA-N 1 0 213.321 2.062 10 0 BEAERO CC1(C)C[NH2+][C@]2(CCCOCC2)OC1(C)C ZINC000757139759 582520174 /nfs/dbraw/zinc/52/01/74/582520174.db2.gz HHPVAABUKWNZCS-CYBMUJFWSA-N 1 0 227.348 2.308 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757139758 582520388 /nfs/dbraw/zinc/52/03/88/582520388.db2.gz HOGHXCNWASCMIS-BXUZGUMPSA-N 1 0 239.359 2.165 10 0 BEAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NCC1(CC1)CO2 ZINC000757140895 582521293 /nfs/dbraw/zinc/52/12/93/582521293.db2.gz JTZAQIANXDDTRB-UHFFFAOYSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)[C@H]1[NH2+][C@@]2(CCCOC2)OCC1(C)C ZINC000757140817 582521298 /nfs/dbraw/zinc/52/12/98/582521298.db2.gz CARVZMJNGDFECI-YPMHNXCESA-N 1 0 227.348 2.164 10 0 BEAERO CC(C)(C)[C@H]1CCO[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757141524 582522142 /nfs/dbraw/zinc/52/21/42/582522142.db2.gz PBRLTCCDXGICSJ-ZWNOBZJWSA-N 1 0 227.348 2.306 10 0 BEAERO C1CCC2(C1)C[NH2+][C@]1(CCCOCC1)OC2 ZINC000757141629 582522339 /nfs/dbraw/zinc/52/23/39/582522339.db2.gz LCDVUNKHQWXVAQ-CYBMUJFWSA-N 1 0 225.332 2.063 10 0 BEAERO CC[C@]1(C)CCO[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757141808 582522471 /nfs/dbraw/zinc/52/24/71/582522471.db2.gz COCVAWOPYMCNID-NEPJUHHUSA-N 1 0 213.321 2.060 10 0 BEAERO CC1(C)CNC2(CC(C)(C)[NH2+]C(C)(C)C2)OC1 ZINC000757141625 582522565 /nfs/dbraw/zinc/52/25/65/582522565.db2.gz POELXXBQWVQTQA-UHFFFAOYSA-N 1 0 240.391 2.269 10 0 BEAERO C1CCC2(C1)C[NH2+][C@@]1(CCCOCC1)OC2 ZINC000757141630 582522570 /nfs/dbraw/zinc/52/25/70/582522570.db2.gz LCDVUNKHQWXVAQ-ZDUSSCGKSA-N 1 0 225.332 2.063 10 0 BEAERO c1ccc([C@@H]2CCO[C@@]3(CCCOC3)[NH2+]2)cc1 ZINC000757143285 582523476 /nfs/dbraw/zinc/52/34/76/582523476.db2.gz VUORFAGZNIMXQU-UONOGXRCSA-N 1 0 233.311 2.244 10 0 BEAERO C[C@@H]1C[C@H](C)[NH2+]C2(CC(CF)(CF)C2)O1 ZINC000757144683 582525392 /nfs/dbraw/zinc/52/53/92/582525392.db2.gz HBESDEZJIREZHZ-DTWKUNHWSA-N 1 0 219.275 2.189 10 0 BEAERO CC(C)[C@@H]1[NH2+][C@]2(CCSC2)OCC1(C)C ZINC000757144788 582525526 /nfs/dbraw/zinc/52/55/26/582525526.db2.gz HISMWOVUOUALRJ-CMPLNLGQSA-N 1 0 229.389 2.490 10 0 BEAERO C[NH2+]CCOCc1ccc(Cl)c(C)c1 ZINC000757145206 582527067 /nfs/dbraw/zinc/52/70/67/582527067.db2.gz KRSBMZQENRUTCL-UHFFFAOYSA-N 1 0 213.708 2.384 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757145350 582527500 /nfs/dbraw/zinc/52/75/00/582527500.db2.gz IILYLCOBYVLYNI-RISCZKNCSA-N 1 0 239.359 2.308 10 0 BEAERO Cc1cc(Cl)ccc1CN1CC[C@@H]1C[NH3+] ZINC000757145597 582528694 /nfs/dbraw/zinc/52/86/94/582528694.db2.gz LXZBCOCKEWVEHD-GFCCVEGCSA-N 1 0 224.735 2.181 10 0 BEAERO CC1(C)CCC[C@]2(C1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757146221 582529190 /nfs/dbraw/zinc/52/91/90/582529190.db2.gz QSIATMOJDBLMFL-KGLIPLIRSA-N 1 0 239.359 2.452 10 0 BEAERO COC[C@@H]1CCO[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757149979 582533614 /nfs/dbraw/zinc/53/36/14/582533614.db2.gz PRTBIJCYPUJGAT-WCQYABFASA-N 1 0 227.348 2.308 10 0 BEAERO COC[C@@H]1CCO[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757149949 582534127 /nfs/dbraw/zinc/53/41/27/582534127.db2.gz PRTBIJCYPUJGAT-AAEUAGOBSA-N 1 0 227.348 2.308 10 0 BEAERO CC1(C)C[NH2+]C2(CCCC2)O[C@]12CCCOC2 ZINC000757151307 582535603 /nfs/dbraw/zinc/53/56/03/582535603.db2.gz ZIEWKOGRIAXCOE-ZDUSSCGKSA-N 1 0 239.359 2.452 10 0 BEAERO C1CCC2(CC1)C[NH2+]C1(CCOCC1)OC2 ZINC000757151939 582536380 /nfs/dbraw/zinc/53/63/80/582536380.db2.gz UGAKYPVDYCEKFP-UHFFFAOYSA-N 1 0 225.332 2.063 10 0 BEAERO COC[C@@H]1CCOC2(CCCCCCC2)[NH2+]1 ZINC000757153809 582538811 /nfs/dbraw/zinc/53/88/11/582538811.db2.gz YYJQWPPEIXVBCB-LBPRGKRZSA-N 1 0 227.348 2.452 10 0 BEAERO CC[NH2+]C[C@H](O)CSCc1ccc(Cl)o1 ZINC000757169010 582550225 /nfs/dbraw/zinc/55/02/25/582550225.db2.gz FGWYVRMPFCFPOY-QMMMGPOBSA-N 1 0 249.763 2.137 10 0 BEAERO C[NH2+][C@@H](CO)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169288 582550881 /nfs/dbraw/zinc/55/08/81/582550881.db2.gz HPARNJIJDWGCSK-APPZFPTMSA-N 1 0 249.763 2.135 10 0 BEAERO Cc1oc(-c2ccccc2)nc1CC(N)=[NH2+] ZINC000757177283 582552754 /nfs/dbraw/zinc/55/27/54/582552754.db2.gz QPOQVAGHBYFTLX-UHFFFAOYSA-N 1 0 215.256 2.128 10 0 BEAERO Cc1nn(C)c2sc([C@H]3CCC[NH2+]C3)cc12 ZINC000757216021 582561141 /nfs/dbraw/zinc/56/11/41/582561141.db2.gz OZANOWXUVKWULL-VIFPVBQESA-N 1 0 235.356 2.410 10 0 BEAERO CCCC[C@H]1CC[C@@H](C(=O)OCC)C[NH2+]1 ZINC000757216887 582561903 /nfs/dbraw/zinc/56/19/03/582561903.db2.gz RCIQVEBMUSZQSI-MNOVXSKESA-N 1 0 213.321 2.108 10 0 BEAERO C[C@@H]1C[NH2+][C@H](c2cccc3cc[nH]c32)[C@@H](N)C1 ZINC000757220317 582563273 /nfs/dbraw/zinc/56/32/73/582563273.db2.gz YOXMHWNDIJVXBE-DUFXMDAXSA-N 1 0 229.327 2.166 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](c1ccncc1)CC2 ZINC000236044868 582637194 /nfs/dbraw/zinc/63/71/94/582637194.db2.gz LBIGCMRGDZSITF-LLVKDONJSA-N 1 0 214.272 2.143 10 0 BEAERO Fc1ccc([C@@H]2CCNc3[nH+]ccn32)cc1 ZINC000236207929 582641068 /nfs/dbraw/zinc/64/10/68/582641068.db2.gz CMWLZCGTWUCOET-NSHDSACASA-N 1 0 217.247 2.427 10 0 BEAERO C[C@@H]1CC[NH2+][C@H]([C@H]2CCC(C)(C)C2=O)C1 ZINC000253177632 582675118 /nfs/dbraw/zinc/67/51/18/582675118.db2.gz QSJVACRIELFXCJ-MXWKQRLJSA-N 1 0 209.333 2.380 10 0 BEAERO CC(C)C[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000120574613 582677007 /nfs/dbraw/zinc/67/70/07/582677007.db2.gz YIBAJAOHNAVRHQ-UHFFFAOYSA-N 1 0 230.315 2.217 10 0 BEAERO CC(C)NC(=O)C[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000041284313 582685226 /nfs/dbraw/zinc/68/52/26/582685226.db2.gz ISCQFBXYTVAMCY-LLVKDONJSA-N 1 0 240.734 2.255 10 0 BEAERO [NH3+]Cc1c(C2CCCC2)nc2n1CCCC2 ZINC000259201259 582809438 /nfs/dbraw/zinc/80/94/38/582809438.db2.gz YXSYXNLAPXAPHL-UHFFFAOYSA-N 1 0 219.332 2.336 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@]21CO[C@@H](C2CC2)C1 ZINC000701088758 582849065 /nfs/dbraw/zinc/84/90/65/582849065.db2.gz AHPUSAISNBQUBF-YPMHNXCESA-N 1 0 235.352 2.288 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000393736916 582921383 /nfs/dbraw/zinc/92/13/83/582921383.db2.gz CLMBWRKXTQDPKU-MFKMUULPSA-N 1 0 222.332 2.018 10 0 BEAERO Nc1[nH+]ccn1C[C@H]1CCCCC1(F)F ZINC000702596343 582927135 /nfs/dbraw/zinc/92/71/35/582927135.db2.gz KNEHWPKTDMVCTD-MRVPVSSYSA-N 1 0 215.247 2.291 10 0 BEAERO C[C@@H](C(=O)C(F)(F)F)[C@H]1CCCCC[NH2+]1 ZINC000702915475 582930150 /nfs/dbraw/zinc/93/01/50/582930150.db2.gz UPSRKQIHGWTUEX-HTQZYQBOSA-N 1 0 223.238 2.286 10 0 BEAERO C[C@@H]1CCC[C@@H]([C@H]2CCC3(CC3)C2=O)[NH2+]1 ZINC000706579039 582960444 /nfs/dbraw/zinc/96/04/44/582960444.db2.gz LAMYXRACLABJJT-MXWKQRLJSA-N 1 0 207.317 2.276 10 0 BEAERO C[C@@H]1CCC[C@H]([C@@H]2CCC3(CC3)C2=O)[NH2+]1 ZINC000706579040 582960476 /nfs/dbraw/zinc/96/04/76/582960476.db2.gz LAMYXRACLABJJT-OUAUKWLOSA-N 1 0 207.317 2.276 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@@H]1CCC[C@H](CC)C1 ZINC000394577043 582995298 /nfs/dbraw/zinc/99/52/98/582995298.db2.gz SKRLFIGOANQRSX-TUAOUCFPSA-N 1 0 227.348 2.483 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@H]1CCC[C@H](CC)C1 ZINC000394577042 582995304 /nfs/dbraw/zinc/99/53/04/582995304.db2.gz SKRLFIGOANQRSX-SRVKXCTJSA-N 1 0 227.348 2.483 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1N1CC(C)(C)OC(C)(C)C1 ZINC000396624455 583086603 /nfs/dbraw/zinc/08/66/03/583086603.db2.gz DJUHUNRCNKYWRJ-VXGBXAGGSA-N 1 0 240.391 2.016 10 0 BEAERO CC[C@H](C)C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000014590365 583093308 /nfs/dbraw/zinc/09/33/08/583093308.db2.gz OGQXAZJUVVPCRL-WSMDXJOWSA-N 1 0 225.332 2.201 10 0 biogenic BEAERO CN1CCC[C@]2(CC1)[NH2+]CCc1sccc12 ZINC000397160215 583097679 /nfs/dbraw/zinc/09/76/79/583097679.db2.gz SNLFGSZIDZSJGV-CYBMUJFWSA-N 1 0 236.384 2.205 10 0 BEAERO CC[C@H](C(=O)[C@@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000397689603 583106349 /nfs/dbraw/zinc/10/63/49/583106349.db2.gz WSUYOCPYDHCPRR-DCAQKATOSA-N 1 0 209.333 2.380 10 0 BEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)[NH3+] ZINC000122152307 583172721 /nfs/dbraw/zinc/17/27/21/583172721.db2.gz FBQSKIHZNQGCQA-WOPDTQHZSA-N 1 0 226.364 2.055 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000086856733 583326298 /nfs/dbraw/zinc/32/62/98/583326298.db2.gz IPUJXLLVRFYDLA-SRVKXCTJSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)[C@H]1CCCC[C@H]1NC(=O)C[C@@H](C)[NH3+] ZINC000122152897 583583726 /nfs/dbraw/zinc/58/37/26/583583726.db2.gz FBQSKIHZNQGCQA-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)(C)OC(=O)c1ccc(C[NH3+])s1 ZINC000147636027 583676913 /nfs/dbraw/zinc/67/69/13/583676913.db2.gz AIDPFDWOVPTCNE-UHFFFAOYSA-N 1 0 213.302 2.162 10 0 BEAERO C[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2)O1 ZINC000148376164 583924078 /nfs/dbraw/zinc/92/40/78/583924078.db2.gz FUYLEUHFYYUGOT-JSGCOSHPSA-N 1 0 219.328 2.386 10 0 BEAERO COCC[NH2+]C[C@@H](CCOC)c1ccccc1 ZINC000088099428 584907501 /nfs/dbraw/zinc/90/75/01/584907501.db2.gz MKQDAYQNFDWMQK-CQSZACIVSA-N 1 0 237.343 2.043 10 0 BEAERO Cc1cc2c[nH]nc2cc1-c1[nH+]ccc(N)c1N ZINC000757566086 586305033 /nfs/dbraw/zinc/30/50/33/586305033.db2.gz KEKQLMFQTSRMME-UHFFFAOYSA-N 1 0 239.282 2.098 10 0 BEAERO CCC[N@@H+]1CCC[C@H](C2=CCOCC2)C1 ZINC000757569656 586371372 /nfs/dbraw/zinc/37/13/72/586371372.db2.gz YUIQAQWXHORJQX-ZDUSSCGKSA-N 1 0 209.333 2.455 10 0 BEAERO CC[C@@H](C)[C@@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757132483 586426527 /nfs/dbraw/zinc/42/65/27/586426527.db2.gz TZCCWXWAQQAILO-GMSGAONNSA-N 1 0 228.361 2.250 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@]12CCCN2CC(F)(F)F ZINC000757133787 586427063 /nfs/dbraw/zinc/42/70/63/586427063.db2.gz UIHGXXYJBIZCLB-UWVGGRQHSA-N 1 0 236.281 2.155 10 0 BEAERO Cc1cc(C[C@H](O)CCC[NH3+])ccc1Cl ZINC000757155470 586429929 /nfs/dbraw/zinc/42/99/29/586429929.db2.gz CVRZNIUSMFMDPK-LLVKDONJSA-N 1 0 227.735 2.291 10 0 BEAERO CC[NH2+]C[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757161462 586432179 /nfs/dbraw/zinc/43/21/79/586432179.db2.gz VPTIANJMALZXJE-LLVKDONJSA-N 1 0 227.735 2.161 10 0 BEAERO Cc1ccoc1CSCCOCCC[NH3+] ZINC000757166719 586432516 /nfs/dbraw/zinc/43/25/16/586432516.db2.gz RPQFEBMTSUSZMB-UHFFFAOYSA-N 1 0 229.345 2.187 10 0 BEAERO C[N@@H+]1CCC[C@@H]1C(=O)c1c[nH]c2ccc(N)cc12 ZINC000757176158 586433621 /nfs/dbraw/zinc/43/36/21/586433621.db2.gz CCXZOEWUVRMDAQ-CYBMUJFWSA-N 1 0 243.310 2.027 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183303 586433778 /nfs/dbraw/zinc/43/37/78/586433778.db2.gz NMQANSDCKSXIPH-VDDIYKPWSA-N 1 0 231.311 2.184 10 0 BEAERO CC1(c2ccc([C@H]3CC[NH2+]C[C@@H]3N)cc2)CC1 ZINC000757213014 586439509 /nfs/dbraw/zinc/43/95/09/586439509.db2.gz KRUKZVWMEUXDGR-KGLIPLIRSA-N 1 0 230.355 2.142 10 0 BEAERO CC[NH2+]CCSc1cncc(CC)c1 ZINC000757215694 586440767 /nfs/dbraw/zinc/44/07/67/586440767.db2.gz XAOCGGBBRKVQOU-UHFFFAOYSA-N 1 0 210.346 2.346 10 0 BEAERO C[C@@H]1N[C@H](c2cccc3cc[nH]c32)CC[C@@H]1[NH3+] ZINC000757218275 586441590 /nfs/dbraw/zinc/44/15/90/586441590.db2.gz UUIAZCQENYZUNX-XDTLVQLUSA-N 1 0 229.327 2.308 10 0 BEAERO CCOC(=O)[C@H]1CC[C@@H](c2ccsc2)[NH2+]C1 ZINC000757219372 586442067 /nfs/dbraw/zinc/44/20/67/586442067.db2.gz YETYJJCYMAYTKL-ONGXEEELSA-N 1 0 239.340 2.352 10 0 BEAERO CC1(c2ccc([C@H]3CC[C@H]([NH3+])CN3)cc2)CC1 ZINC000757219278 586442308 /nfs/dbraw/zinc/44/23/08/586442308.db2.gz WKFQANWOPLQQNT-UONOGXRCSA-N 1 0 230.355 2.490 10 0 BEAERO C[C@H]1C[C@]2(CC(=O)O[C@H]2C[NH3+])CC(C)(C)C1 ZINC000757224707 586442536 /nfs/dbraw/zinc/44/25/36/586442536.db2.gz QTUNWBCWKGQAHE-NRUUGDAUSA-N 1 0 225.332 2.093 10 0 BEAERO Cc1ccc(N)cc1[C@H]1CCC[NH2+][C@@H]1C ZINC000757228661 586442749 /nfs/dbraw/zinc/44/27/49/586442749.db2.gz DOEVLMJUIDYDFA-PWSUYJOCSA-N 1 0 204.317 2.433 10 0 BEAERO Cc1ccc(N)cc1[C@H]1C[NH2+]CC[C@@H]1C ZINC000757234425 586443298 /nfs/dbraw/zinc/44/32/98/586443298.db2.gz KMTFMSZPQZBRBK-GWCFXTLKSA-N 1 0 204.317 2.290 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1CC[NH2+]C[C@@H]1C ZINC000757235622 586443354 /nfs/dbraw/zinc/44/33/54/586443354.db2.gz MDILAMZWACXCIU-CMPLNLGQSA-N 1 0 204.317 2.290 10 0 BEAERO [NH3+][C@H]1CNC[C@H](c2cscc2C(F)F)C1 ZINC000757239522 586444116 /nfs/dbraw/zinc/44/41/16/586444116.db2.gz ULMKVEIBJRNGKV-RNFRBKRXSA-N 1 0 232.299 2.090 10 0 BEAERO [NH3+][C@@H]1CNC[C@H](c2cscc2C(F)F)C1 ZINC000757239525 586444446 /nfs/dbraw/zinc/44/44/46/586444446.db2.gz ULMKVEIBJRNGKV-RQJHMYQMSA-N 1 0 232.299 2.090 10 0 BEAERO Cc1ccc(-c2[nH+]ccc(N)c2N)c(F)c1 ZINC000757571397 586462663 /nfs/dbraw/zinc/46/26/63/586462663.db2.gz KFPZONYVLOOVBU-UHFFFAOYSA-N 1 0 217.247 2.361 10 0 BEAERO Cc1ccc(Cc2noc(CC[C@H](C)[NH3+])n2)cc1 ZINC000109507743 588564226 /nfs/dbraw/zinc/56/42/26/588564226.db2.gz BTKZDEBRCCSFRV-NSHDSACASA-N 1 0 245.326 2.249 10 0 BEAERO C[C@@H](NC(=O)c1cccc(C[NH3+])c1)C(C)(C)C ZINC000122319385 589578285 /nfs/dbraw/zinc/57/82/85/589578285.db2.gz IFCHEPZRCQQLAM-SNVBAGLBSA-N 1 0 234.343 2.310 10 0 BEAERO Cc1cc(C[NH2+]CCSC(F)(F)F)on1 ZINC000123354265 589691020 /nfs/dbraw/zinc/69/10/20/589691020.db2.gz PQTPMDHIHAHIEW-UHFFFAOYSA-N 1 0 240.250 2.326 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123941874 589866255 /nfs/dbraw/zinc/86/62/55/589866255.db2.gz PDWPJBHMYPFYQL-FZMZJTMJSA-N 1 0 246.354 2.300 10 0 BEAERO CC[C@@H]1CCCCC[N@@H+]1CCC1OCCO1 ZINC000124386938 589983766 /nfs/dbraw/zinc/98/37/66/589983766.db2.gz SMTCPTIZEMZOBZ-GFCCVEGCSA-N 1 0 227.348 2.404 10 0 BEAERO Cc1cc(C[C@H](C)[NH2+]Cc2ccoc2)[nH]n1 ZINC000124475004 590020793 /nfs/dbraw/zinc/02/07/93/590020793.db2.gz BQCQWTILHGCTGN-VIFPVBQESA-N 1 0 219.288 2.032 10 0 BEAERO [NH3+]Cc1ccc(-c2nc(C3CC3)no2)cc1 ZINC000020565213 590124015 /nfs/dbraw/zinc/12/40/15/590124015.db2.gz QBLYSHUSBATCCE-UHFFFAOYSA-N 1 0 215.256 2.073 10 0 BEAERO Cc1cnccc1CC[NH2+]Cc1ccoc1 ZINC000126171097 590245819 /nfs/dbraw/zinc/24/58/19/590245819.db2.gz YHFGJXWXUMTMPY-UHFFFAOYSA-N 1 0 216.284 2.315 10 0 BEAERO CS[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000126271809 590263129 /nfs/dbraw/zinc/26/31/29/590263129.db2.gz KPCUQVUDNLEFEO-RYUDHWBXSA-N 1 0 239.388 2.102 10 0 BEAERO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000127118053 590564850 /nfs/dbraw/zinc/56/48/50/590564850.db2.gz YRNDLJNUAJMSMV-RYUDHWBXSA-N 1 0 209.289 2.327 10 0 BEAERO CCC[C@H](C)C(=O)OCCN1CCSCC1 ZINC000127323370 590621282 /nfs/dbraw/zinc/62/12/82/590621282.db2.gz YQNPXLZSFVAEMO-NSHDSACASA-N 1 0 245.388 2.015 10 0 BEAERO C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H]1CCCO1 ZINC000211202906 591148248 /nfs/dbraw/zinc/14/82/48/591148248.db2.gz LHVWOXJCMXPLQV-IFPZVHCUSA-N 1 0 224.131 2.463 10 0 BEAERO CC[C@H]1C[C@@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000211602923 591208332 /nfs/dbraw/zinc/20/83/32/591208332.db2.gz WIHMINITZZPBMJ-QWRGUYRKSA-N 1 0 242.363 2.371 10 0 BEAERO [NH3+]Cc1ccc2[nH]cc(Br)c2c1 ZINC000212140387 591315778 /nfs/dbraw/zinc/31/57/78/591315778.db2.gz YSLLCJSUSFHSTR-UHFFFAOYSA-N 1 0 225.089 2.389 10 0 BEAERO [NH3+]Cc1cccc2[nH]cc(Br)c21 ZINC000212140579 591315805 /nfs/dbraw/zinc/31/58/05/591315805.db2.gz JIMFDCQAWCFISJ-UHFFFAOYSA-N 1 0 225.089 2.389 10 0 BEAERO Nc1cc[nH+]cc1OCc1ccccc1 ZINC000214232507 591540740 /nfs/dbraw/zinc/54/07/40/591540740.db2.gz YYIVQQPGUCFPPY-UHFFFAOYSA-N 1 0 200.241 2.243 10 0 BEAERO Cc1occc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000131974504 591682164 /nfs/dbraw/zinc/68/21/64/591682164.db2.gz WJDFQQLUMFJQGV-SECBINFHSA-N 1 0 233.271 2.105 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000132401398 591706611 /nfs/dbraw/zinc/70/66/11/591706611.db2.gz OCKVMYCFHPGWCG-LBPRGKRZSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)C[C@H](C[NH3+])Cc1nc(C2(C)CC2)no1 ZINC000132645549 591727236 /nfs/dbraw/zinc/72/72/36/591727236.db2.gz VOGMTUKPRGSWBP-JTQLQIEISA-N 1 0 237.347 2.285 10 0 BEAERO C[C@H](CCO)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000132964401 591751313 /nfs/dbraw/zinc/75/13/13/591751313.db2.gz CITKIOCOQVHETJ-CHWSQXEVSA-N 1 0 241.375 2.229 10 0 BEAERO O=C(NC[C@@H]1CC[NH2+]C1)C1CCCCCCC1 ZINC000133642009 591845125 /nfs/dbraw/zinc/84/51/25/591845125.db2.gz ODIBZFAUQCAFFT-GFCCVEGCSA-N 1 0 238.375 2.073 10 0 BEAERO Cc1cc2c(ncnc2NC[C@@H]2CC[NH2+]C2)s1 ZINC000133810270 591860756 /nfs/dbraw/zinc/86/07/56/591860756.db2.gz JLZJJGYOYSRDMN-SECBINFHSA-N 1 0 248.355 2.021 10 0 BEAERO C[C@@H]([NH2+]CC[S@@](C)=O)c1cccc(Cl)c1 ZINC000133821111 591862353 /nfs/dbraw/zinc/86/23/53/591862353.db2.gz HUVOPEBUIBDSSJ-PSLIRLAXSA-N 1 0 245.775 2.369 10 0 BEAERO CCC(CC)C[NH2+]Cc1nnc(C)s1 ZINC000134665106 591946285 /nfs/dbraw/zinc/94/62/85/591946285.db2.gz IEJOZKIGNJOFAO-UHFFFAOYSA-N 1 0 213.350 2.372 10 0 BEAERO CC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000215623907 591960936 /nfs/dbraw/zinc/96/09/36/591960936.db2.gz VHEVZFOSUYYRBL-MNOVXSKESA-N 1 0 242.363 2.289 10 0 BEAERO CC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000215623859 591961412 /nfs/dbraw/zinc/96/14/12/591961412.db2.gz VHEVZFOSUYYRBL-GHMZBOCLSA-N 1 0 242.363 2.289 10 0 BEAERO COCCC(C)(C)C[NH2+]Cc1ccoc1 ZINC000135003043 591971138 /nfs/dbraw/zinc/97/11/38/591971138.db2.gz FQZBZZICEYQZBQ-UHFFFAOYSA-N 1 0 211.305 2.432 10 0 BEAERO CC[C@@H](O)CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000135045056 591979168 /nfs/dbraw/zinc/97/91/68/591979168.db2.gz KTHPANNCHAHBCT-QWHCGFSZSA-N 1 0 241.375 2.229 10 0 BEAERO CC[C@](C)(O)C[NH2+]Cc1cncc2ccccc21 ZINC000135378689 592010802 /nfs/dbraw/zinc/01/08/02/592010802.db2.gz GWDHVCIONRKLSD-HNNXBMFYSA-N 1 0 244.338 2.485 10 0 BEAERO C[C@@H](C[NH2+]Cc1cncc2ccccc21)N(C)C ZINC000135378070 592010998 /nfs/dbraw/zinc/01/09/98/592010998.db2.gz XLJVEDRPEAWOTK-LBPRGKRZSA-N 1 0 243.354 2.275 10 0 BEAERO Cc1cc(F)cc(-c2nc([C@@H](C)C[NH3+])no2)c1 ZINC000136952857 592153437 /nfs/dbraw/zinc/15/34/37/592153437.db2.gz JOURUUQXJWOHCU-QMMMGPOBSA-N 1 0 235.262 2.246 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](CCCC(C)C)C[C@@H]1C ZINC000221678387 592437605 /nfs/dbraw/zinc/43/76/05/592437605.db2.gz HCDVQVUXUFXHSD-NWDGAFQWSA-N 1 0 227.348 2.164 10 0 BEAERO FC1(F)CC[C@@H](c2noc([C@H]3CCC[NH2+]3)n2)C1 ZINC000302392735 592547731 /nfs/dbraw/zinc/54/77/31/592547731.db2.gz POTMBQVYXRLKIB-HTQZYQBOSA-N 1 0 243.257 2.397 10 0 BEAERO C[C@H]([NH2+][C@H]1CCc2cccnc21)[C@H]1CCCO1 ZINC000299930354 634401411 /nfs/dbraw/zinc/40/14/11/634401411.db2.gz YTLRHYWYSHSMAD-WCFLWFBJSA-N 1 0 232.327 2.226 10 0 BEAERO C[NH2+][C@H](C)c1nc(-c2ccc(Cl)o2)no1 ZINC000258068669 634561291 /nfs/dbraw/zinc/56/12/91/634561291.db2.gz QGPXCRBNLCJXPQ-RXMQYKEDSA-N 1 0 227.651 2.263 10 0 BEAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)O ZINC000336664620 635199184 /nfs/dbraw/zinc/19/91/84/635199184.db2.gz CUYPEUCTMHJMQN-XHNCKOQMSA-N 1 0 229.345 2.177 10 0 BEAERO CC(C)[NH+]1CCN(CCC(=O)C(C)(C)C)CC1 ZINC000054026468 635327582 /nfs/dbraw/zinc/32/75/82/635327582.db2.gz UFQNJDWRCNCNAV-UHFFFAOYSA-N 1 0 240.391 2.018 10 0 BEAERO CC1(C)C[C@@H]1c1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000225475161 635410430 /nfs/dbraw/zinc/41/04/30/635410430.db2.gz GBQASJNLEISPHQ-NXEZZACHSA-N 1 0 235.331 2.125 10 0 BEAERO CC1(C)C[C@@H]1c1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000225475227 635410466 /nfs/dbraw/zinc/41/04/66/635410466.db2.gz GBQASJNLEISPHQ-VHSXEESVSA-N 1 0 235.331 2.125 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc([C@@H]2CC2(C)C)no1 ZINC000232716318 635512955 /nfs/dbraw/zinc/51/29/55/635512955.db2.gz VSDFKQXZFFGNPB-IUCAKERBSA-N 1 0 223.320 2.109 10 0 BEAERO Cc1cc(NC[C@H]2Cc3ccccc32)nc(N)[nH+]1 ZINC000108094821 635543667 /nfs/dbraw/zinc/54/36/67/635543667.db2.gz SSLBEEPSTJFBNJ-LLVKDONJSA-N 1 0 240.310 2.119 10 0 BEAERO Cc1ccc(Cl)cc1NC(=O)C1CC([NH3+])C1 ZINC000258669200 631577028 /nfs/dbraw/zinc/57/70/28/631577028.db2.gz HKWVWKONTQRIKI-UHFFFAOYSA-N 1 0 238.718 2.324 10 0 BEAERO C[N@H+](C[C@@H](O)c1cc(F)ccc1F)CC1CC1 ZINC000051423417 631756559 /nfs/dbraw/zinc/75/65/59/631756559.db2.gz CHGVFDUNAZJSKL-CYBMUJFWSA-N 1 0 241.281 2.340 10 0 BEAERO COC1CC([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000308960427 631768966 /nfs/dbraw/zinc/76/89/66/631768966.db2.gz RUNUSWWIZDTYDJ-IFWUJCSASA-N 1 0 209.333 2.332 10 0 BEAERO COC1CC([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000308960425 631769916 /nfs/dbraw/zinc/76/99/16/631769916.db2.gz RUNUSWWIZDTYDJ-FIYWTHMPSA-N 1 0 209.333 2.332 10 0 BEAERO CCC[N@H+](C)C[C@H](O)c1ccccc1C ZINC000044127551 631813631 /nfs/dbraw/zinc/81/36/31/631813631.db2.gz HYEIKYFJDZMOGC-ZDUSSCGKSA-N 1 0 207.317 2.370 10 0 BEAERO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000051628322 631820932 /nfs/dbraw/zinc/82/09/32/631820932.db2.gz FJTDYBYSHRJLME-KGLIPLIRSA-N 1 0 246.354 2.396 10 0 BEAERO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000051628324 631821354 /nfs/dbraw/zinc/82/13/54/631821354.db2.gz FJTDYBYSHRJLME-ZIAGYGMSSA-N 1 0 246.354 2.396 10 0 BEAERO C[NH2+]CCc1noc(-c2ccc(C)cc2C)n1 ZINC000051850783 631964100 /nfs/dbraw/zinc/96/41/00/631964100.db2.gz MZDOTQVHLCCUMI-UHFFFAOYSA-N 1 0 231.299 2.115 10 0 BEAERO C[NH2+]CCc1noc(CCCc2ccccc2)n1 ZINC000051850878 631964975 /nfs/dbraw/zinc/96/49/75/631964975.db2.gz UWCNNYFBAWZSTL-UHFFFAOYSA-N 1 0 245.326 2.007 10 0 BEAERO CC1(C)C[C@@H]1NC(=[NH2+])NC1CCCCC1 ZINC000052048144 632056886 /nfs/dbraw/zinc/05/68/86/632056886.db2.gz VTEALISJNBHTMG-JTQLQIEISA-N 1 0 209.337 2.232 10 0 BEAERO CCC(CC)CNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000125061757 632104876 /nfs/dbraw/zinc/10/48/76/632104876.db2.gz OBIJISHORUCGQR-CHWSQXEVSA-N 1 0 240.391 2.304 10 0 BEAERO CCOc1ccccc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158759 635776377 /nfs/dbraw/zinc/77/63/77/635776377.db2.gz NPSFPBBNYVXUPI-VIFPVBQESA-N 1 0 247.298 2.198 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@@H]2CC[C@@H](C)C2)n1 ZINC000309515130 632432972 /nfs/dbraw/zinc/43/29/72/632432972.db2.gz YLINHCBBPWCJQI-IWSPIJDZSA-N 1 0 209.293 2.035 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]C(C)(C)CO)c1 ZINC000308972612 632602100 /nfs/dbraw/zinc/60/21/00/632602100.db2.gz FOMUHKTWBZMXPG-NSHDSACASA-N 1 0 207.317 2.417 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1c1nc([C@@H]2CC2(C)C)no1 ZINC000235289269 632614345 /nfs/dbraw/zinc/61/43/45/632614345.db2.gz WGCUIHVKOXJAHV-YIZRAAEISA-N 1 0 221.304 2.049 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000309947281 632686160 /nfs/dbraw/zinc/68/61/60/632686160.db2.gz DVJMIVKEBBSOPB-AXTSPUMRSA-N 1 0 239.281 2.466 10 0 BEAERO CCC1CCC(NC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000310112829 632701103 /nfs/dbraw/zinc/70/11/03/632701103.db2.gz QNWQRANWLMQANE-GDKBPFBDSA-N 1 0 238.375 2.199 10 0 BEAERO CCC1CCC(NC(=O)C2([NH2+]C)CCC2)CC1 ZINC000310474408 632745964 /nfs/dbraw/zinc/74/59/64/632745964.db2.gz BLGIMXGQCUWESV-UHFFFAOYSA-N 1 0 238.375 2.214 10 0 BEAERO c1cc2c([nH]1)CCC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC000309333092 632944984 /nfs/dbraw/zinc/94/49/84/632944984.db2.gz IJAJDYQQLGHDAS-ZWNOBZJWSA-N 1 0 220.316 2.161 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C/C=C\Cl ZINC000255899225 633009476 /nfs/dbraw/zinc/00/94/76/633009476.db2.gz WZPVQBZLSAUFHM-JPVGGKMYSA-N 1 0 216.756 2.155 10 0 BEAERO C[C@H](C[NH3+])c1noc(C=C2CCCC2)n1 ZINC000309402521 633017418 /nfs/dbraw/zinc/01/74/18/633017418.db2.gz HOXGXOSULSVGLJ-MRVPVSSYSA-N 1 0 207.277 2.089 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1c(C)cccc1C ZINC000166540333 633117550 /nfs/dbraw/zinc/11/75/50/633117550.db2.gz ZPWZROYOQSNQPD-QWHCGFSZSA-N 1 0 247.338 2.170 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cc(C)c1 ZINC000166604561 633119016 /nfs/dbraw/zinc/11/90/16/633119016.db2.gz NLDNTVLJENLXBT-KGLIPLIRSA-N 1 0 247.338 2.170 10 0 BEAERO C[NH2+]CCc1noc(-c2ccc(SC)cc2)n1 ZINC000092234113 633235486 /nfs/dbraw/zinc/23/54/86/633235486.db2.gz XUGNDOMZTAPGQU-UHFFFAOYSA-N 1 0 249.339 2.220 10 0 BEAERO CC[N@@H+]1CC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000307386786 635987374 /nfs/dbraw/zinc/98/73/74/635987374.db2.gz LVXHIMNSLQSILU-SSDOTTSWSA-N 1 0 231.752 2.303 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)c2c(C)noc2C)C1 ZINC000328177717 633734652 /nfs/dbraw/zinc/73/46/52/633734652.db2.gz LQNFNEPSCRABKM-BXKDBHETSA-N 1 0 237.347 2.036 10 0 BEAERO CCCN1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000328171737 633740321 /nfs/dbraw/zinc/74/03/21/633740321.db2.gz KHJHSDMCSGMJJL-OAHLLOKOSA-N 1 0 232.371 2.303 10 0 BEAERO CC[C@H](C)[N@H+](C)CCNCc1ccoc1 ZINC000053377655 633763800 /nfs/dbraw/zinc/76/38/00/633763800.db2.gz FDJRGYLYSLCIHX-NSHDSACASA-N 1 0 210.321 2.100 10 0 BEAERO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccs1 ZINC000328417120 633764231 /nfs/dbraw/zinc/76/42/31/633764231.db2.gz IPZSRTOWWMBTJY-XGEMBROFSA-N 1 0 248.395 2.395 10 0 BEAERO COC1CC([NH2+][C@H]2CS[C@H](C(C)C)C2)C1 ZINC000308969154 633837974 /nfs/dbraw/zinc/83/79/74/633837974.db2.gz XYEQNASXVICAFC-RSJDFQLWSA-N 1 0 229.389 2.284 10 0 BEAERO C/C(=C/c1ccccc1)C[NH2+][C@H](C)[C@@H](C)O ZINC000309890643 633907443 /nfs/dbraw/zinc/90/74/43/633907443.db2.gz CKKBIRDLRLMDCW-BFMCYROOSA-N 1 0 219.328 2.449 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309921420 633943119 /nfs/dbraw/zinc/94/31/19/633943119.db2.gz SHGVIMVKEZIRAI-AHLTXXRQSA-N 1 0 222.376 2.105 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+]C1CC(C(F)F)C1 ZINC000309923853 633945278 /nfs/dbraw/zinc/94/52/78/633945278.db2.gz UIWBFUCCTGGETR-WHXUTIOJSA-N 1 0 234.334 2.350 10 0 BEAERO COCC[C@@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309646999 633980865 /nfs/dbraw/zinc/98/08/65/633980865.db2.gz MOSUFTAPDGAFGS-MFKMUULPSA-N 1 0 222.332 2.407 10 0 BEAERO Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H](C)O)cc1C ZINC000309968496 633997446 /nfs/dbraw/zinc/99/74/46/633997446.db2.gz OKTAYXMUMSCSHG-QWHCGFSZSA-N 1 0 221.344 2.471 10 0 BEAERO Cc1cc(C)c(C[NH2+][C@H](C)[C@H](C)O)cc1C ZINC000309968495 633997722 /nfs/dbraw/zinc/99/77/22/633997722.db2.gz OKTAYXMUMSCSHG-OLZOCXBDSA-N 1 0 221.344 2.471 10 0 BEAERO Cc1cc(C)c(C[NH2+][C@H](C)[C@@H](C)O)cc1C ZINC000309968493 633998575 /nfs/dbraw/zinc/99/85/75/633998575.db2.gz OKTAYXMUMSCSHG-CHWSQXEVSA-N 1 0 221.344 2.471 10 0 BEAERO CCOC[C@@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309898998 634040343 /nfs/dbraw/zinc/04/03/43/634040343.db2.gz GWTVGVCUUFBTKA-MFKMUULPSA-N 1 0 222.332 2.407 10 0 BEAERO C/C=C/C[C@@H](CO)[NH2+]CCc1ccccc1 ZINC000309966044 634052582 /nfs/dbraw/zinc/05/25/82/634052582.db2.gz NNRJKZKBMAENMI-HSWBROFVSA-N 1 0 219.328 2.146 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CCNCc1ccoc1 ZINC000053343441 634171378 /nfs/dbraw/zinc/17/13/78/634171378.db2.gz RMYKHLCCFPLDBI-GFCCVEGCSA-N 1 0 222.332 2.244 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cocn1 ZINC000397988155 634236810 /nfs/dbraw/zinc/23/68/10/634236810.db2.gz NIGJCTXXQZFVAJ-ZIAGYGMSSA-N 1 0 249.358 2.123 10 0 BEAERO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000162882793 635146843 /nfs/dbraw/zinc/14/68/43/635146843.db2.gz XICZFWIKCWAPMP-IJLUTSLNSA-N 1 0 240.391 2.173 10 0 BEAERO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000336575598 635180856 /nfs/dbraw/zinc/18/08/56/635180856.db2.gz IPWHGOOOEUACDE-STQMWFEESA-N 1 0 210.365 2.059 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+][C@H](C)CCC(F)(F)F ZINC000336649019 635202419 /nfs/dbraw/zinc/20/24/19/635202419.db2.gz HHYSMMIHQPYQQG-GJMOJQLCSA-N 1 0 213.243 2.076 10 0 BEAERO Cl/C=C(/Cl)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000263635035 635762816 /nfs/dbraw/zinc/76/28/16/635762816.db2.gz GKJXAZVUWGYQMC-HUYFXPKMSA-N 1 0 249.185 2.476 10 0 BEAERO Cc1cc(-c2nc([C@@H](C)C[NH3+])no2)c(C)o1 ZINC000054158693 635775051 /nfs/dbraw/zinc/77/50/51/635775051.db2.gz PKGSYGHDZSNQJT-LURJTMIESA-N 1 0 221.260 2.009 10 0 BEAERO CCCCC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291487 636339445 /nfs/dbraw/zinc/33/94/45/636339445.db2.gz HLIYLWAVXOQYFR-QWHCGFSZSA-N 1 0 240.391 2.461 10 0 BEAERO CCCCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306241 636354996 /nfs/dbraw/zinc/35/49/96/636354996.db2.gz KZEHYCOWHALCJS-GFCCVEGCSA-N 1 0 226.364 2.073 10 0 BEAERO CCc1cccc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)c1 ZINC000675055010 636575977 /nfs/dbraw/zinc/57/59/77/636575977.db2.gz PMLRJMBOBFNYEG-KGLIPLIRSA-N 1 0 218.344 2.343 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(CO)cs1 ZINC000669379640 636576170 /nfs/dbraw/zinc/57/61/70/636576170.db2.gz GOXCLCNSJCBBIA-VHSXEESVSA-N 1 0 240.372 2.256 10 0 BEAERO C[C@@H]1CCC[N@H+](Cc2nc(CO)cs2)[C@H]1C ZINC000669379641 636576329 /nfs/dbraw/zinc/57/63/29/636576329.db2.gz GOXCLCNSJCBBIA-ZJUUUORDSA-N 1 0 240.372 2.256 10 0 BEAERO C[C@@H]1C[C@H](CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC000211603346 636709365 /nfs/dbraw/zinc/70/93/65/636709365.db2.gz SEDVWISXOJNMEA-GHMZBOCLSA-N 1 0 242.363 2.371 10 0 BEAERO CC[C@H](CO)[NH2+]Cc1ccc2ccccc2n1 ZINC000035114296 636792226 /nfs/dbraw/zinc/79/22/26/636792226.db2.gz NFUHVDUIZDGRDE-GFCCVEGCSA-N 1 0 230.311 2.095 10 0 BEAERO c1ccc(CC[NH2+]C[C@H]2CCCCO2)cc1 ZINC000035151010 636898731 /nfs/dbraw/zinc/89/87/31/636898731.db2.gz SKAXZAODANBAIM-CQSZACIVSA-N 1 0 219.328 2.388 10 0 BEAERO CC[C@H](NC(=O)CCCCCC[NH3+])C(C)C ZINC000042592894 637290790 /nfs/dbraw/zinc/29/07/90/637290790.db2.gz IOWQETVRTUXXLX-LBPRGKRZSA-N 1 0 228.380 2.446 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)nc1 ZINC000149154221 638164521 /nfs/dbraw/zinc/16/45/21/638164521.db2.gz VFUAOPSEKDONSA-GMSGAONNSA-N 1 0 241.722 2.047 10 0 BEAERO Cc1cc(N(C)Cc2ccsc2)nc(N)[nH+]1 ZINC000043533327 638520501 /nfs/dbraw/zinc/52/05/01/638520501.db2.gz WAPUNIXAGXMGRW-UHFFFAOYSA-N 1 0 234.328 2.065 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000348315861 639044480 /nfs/dbraw/zinc/04/44/80/639044480.db2.gz IHJLXRJUIGQBPE-DMOGRIERSA-N 1 0 237.318 2.431 10 0 BEAERO Cc1ccc(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000035689837 639835050 /nfs/dbraw/zinc/83/50/50/639835050.db2.gz DGTJQSKAAWHYAG-GFCCVEGCSA-N 1 0 246.354 2.113 10 0 BEAERO C[C@H](NC(=O)CCCCC[NH3+])c1cccs1 ZINC000035736828 639889508 /nfs/dbraw/zinc/88/95/08/639889508.db2.gz KPPHTPAZZUYVDR-JTQLQIEISA-N 1 0 240.372 2.444 10 0 BEAERO CC(C)CC[C@](C)(O)C[NH2+]CC(C)C ZINC000055030144 640432313 /nfs/dbraw/zinc/43/23/13/640432313.db2.gz UYQGGSWJLFWXSV-LBPRGKRZSA-N 1 0 201.354 2.419 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N(C)C)cc1 ZINC000036335562 640502130 /nfs/dbraw/zinc/50/21/30/640502130.db2.gz LQZPTMSVGUMHBB-ZWNOBZJWSA-N 1 0 249.358 2.065 10 0 BEAERO c1cnc2c(c1)cncc2NCC[NH+]1CCCC1 ZINC000223141914 640538349 /nfs/dbraw/zinc/53/83/49/640538349.db2.gz DDZCQEJZPHEGDP-UHFFFAOYSA-N 1 0 242.326 2.138 10 0 BEAERO Cc1occc1-c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000165585357 640585411 /nfs/dbraw/zinc/58/54/11/640585411.db2.gz QZIPVNSOFQCDGW-JTQLQIEISA-N 1 0 247.298 2.180 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1C ZINC000166575825 640650650 /nfs/dbraw/zinc/65/06/50/640650650.db2.gz TWMUYELBQXWKIV-ZIAGYGMSSA-N 1 0 247.338 2.170 10 0 BEAERO Cc1cc(NCCc2cccs2)nc(N)[nH+]1 ZINC000045724278 640652613 /nfs/dbraw/zinc/65/26/13/640652613.db2.gz LLUNBALFTPHZDV-UHFFFAOYSA-N 1 0 234.328 2.083 10 0 BEAERO C[C@@H]1CCC[C@@H]1c1nc(C2CC[NH2+]CC2)no1 ZINC000225417876 640693241 /nfs/dbraw/zinc/69/32/41/640693241.db2.gz ULAHAEUDWMBBJW-KOLCDFICSA-N 1 0 235.331 2.440 10 0 BEAERO CC(=O)[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000167742633 640745231 /nfs/dbraw/zinc/74/52/31/640745231.db2.gz CMALLFRMAUUKAE-OLZOCXBDSA-N 1 0 207.317 2.396 10 0 BEAERO COC(C[NH2+][C@H]1CCc2c1cccc2F)OC ZINC000214643497 640770416 /nfs/dbraw/zinc/77/04/16/640770416.db2.gz PFNMJJXUXNSOMP-LBPRGKRZSA-N 1 0 239.290 2.022 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2ncccc2Cl)C1 ZINC000227641905 640842833 /nfs/dbraw/zinc/84/28/33/640842833.db2.gz SLGVBOKENAXALQ-DTWKUNHWSA-N 1 0 225.723 2.274 10 0 BEAERO CCCc1nsc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227648356 640842930 /nfs/dbraw/zinc/84/29/30/640842930.db2.gz SCBJJXOAMAFUTH-BDAKNGLRSA-N 1 0 240.376 2.030 10 0 BEAERO CC[C@H](C)c1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000227881895 640852392 /nfs/dbraw/zinc/85/23/92/640852392.db2.gz MOSNGIGBCZLLPI-DJLDLDEBSA-N 1 0 209.293 2.178 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](C)C(C)(C)C ZINC000227895618 640852467 /nfs/dbraw/zinc/85/24/67/640852467.db2.gz WPNOXIHSINQVRM-STQMWFEESA-N 1 0 245.407 2.436 10 0 BEAERO C[C@@H]([NH2+]Cc1cncnc1)c1ccsc1 ZINC000061361762 640956385 /nfs/dbraw/zinc/95/63/85/640956385.db2.gz YNINWLQMKRFSCC-SECBINFHSA-N 1 0 219.313 2.389 10 0 BEAERO CCc1cccc2c1OC[C@H]([C@@H](C)[NH3+])C2 ZINC000675063931 640961515 /nfs/dbraw/zinc/96/15/15/640961515.db2.gz UIKUHXWFMLJQFR-BXKDBHETSA-N 1 0 205.301 2.147 10 0 BEAERO CCCc1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000061609400 640976971 /nfs/dbraw/zinc/97/69/71/640976971.db2.gz XHSXYEQLWVDQLU-NSHDSACASA-N 1 0 231.299 2.113 10 0 BEAERO CC(C)C[NH2+][C@H](CO)CCc1ccccc1 ZINC000061625928 640979543 /nfs/dbraw/zinc/97/95/43/640979543.db2.gz ZJLUZJGIFQXLPL-AWEZNQCLSA-N 1 0 221.344 2.226 10 0 BEAERO CC(C)[C@@H](CNCc1ccoc1)[NH+]1CCCC1 ZINC000062103585 641020792 /nfs/dbraw/zinc/02/07/92/641020792.db2.gz DKMMAEIRPHTYPJ-CQSZACIVSA-N 1 0 236.359 2.490 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)o1 ZINC000230203211 641037124 /nfs/dbraw/zinc/03/71/24/641037124.db2.gz SDIQTTDHLSMAMX-WDEREUQCSA-N 1 0 239.315 2.390 10 0 BEAERO CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000230359781 641048910 /nfs/dbraw/zinc/04/89/10/641048910.db2.gz CMALLFRMAUUKAE-CHWSQXEVSA-N 1 0 207.317 2.396 10 0 BEAERO CC(=O)[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000230359783 641049423 /nfs/dbraw/zinc/04/94/23/641049423.db2.gz CMALLFRMAUUKAE-QWHCGFSZSA-N 1 0 207.317 2.396 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000230418558 641053675 /nfs/dbraw/zinc/05/36/75/641053675.db2.gz IQCJUXIJVQHYQV-AAEUAGOBSA-N 1 0 232.327 2.064 10 0 BEAERO Cc1cnc(N[C@H](CC(C)C)C[NH+](C)C)nc1 ZINC000063048831 641124198 /nfs/dbraw/zinc/12/41/98/641124198.db2.gz LPBNKBPHBLURFQ-GFCCVEGCSA-N 1 0 236.363 2.173 10 0 BEAERO CC(C)(C)Cc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084469 641127196 /nfs/dbraw/zinc/12/71/96/641127196.db2.gz AKNYOIJTIPMAKJ-SNVBAGLBSA-N 1 0 237.347 2.200 10 0 BEAERO CC(C)CCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084663 641127410 /nfs/dbraw/zinc/12/74/10/641127410.db2.gz QQIXEPCMNMJXDZ-LLVKDONJSA-N 1 0 237.347 2.200 10 0 BEAERO C(c1nc(C[C@@H]2CCC[NH2+]C2)no1)C1CCCC1 ZINC000063084630 641127860 /nfs/dbraw/zinc/12/78/60/641127860.db2.gz WZLNGMGSIYILFB-LBPRGKRZSA-N 1 0 249.358 2.344 10 0 BEAERO CC(C)C[C@H](O)C[NH2+]CCc1ccccc1 ZINC000232011892 641228677 /nfs/dbraw/zinc/22/86/77/641228677.db2.gz QIOXASSXEQYWJX-AWEZNQCLSA-N 1 0 221.344 2.226 10 0 BEAERO Cc1ccc(N(C)C(=O)C2CCC([NH3+])CC2)cc1 ZINC000083913957 641346700 /nfs/dbraw/zinc/34/67/00/641346700.db2.gz PHFCJWWAANIDJP-UHFFFAOYSA-N 1 0 246.354 2.475 10 0 BEAERO c1cc2c(s1)[C@H](c1ccccn1)[NH2+]CC2 ZINC000084483329 641359283 /nfs/dbraw/zinc/35/92/83/641359283.db2.gz IWZXWOZLIZBWKD-NSHDSACASA-N 1 0 216.309 2.378 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1CCOCCC(C)C ZINC000042407941 641551194 /nfs/dbraw/zinc/55/11/94/641551194.db2.gz CFXSAWWLNCOPCE-AWEZNQCLSA-N 1 0 242.407 2.123 10 0 BEAERO C[C@@H](C[NH3+])Nc1nc2ccc(F)cc2s1 ZINC000212629678 641660025 /nfs/dbraw/zinc/66/00/25/641660025.db2.gz RZCYWAODQMPDOY-LURJTMIESA-N 1 0 225.292 2.195 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000089385508 641673334 /nfs/dbraw/zinc/67/33/34/641673334.db2.gz KJIUXORQGXDDPD-DGCLKSJQSA-N 1 0 232.327 2.390 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000089385540 641673736 /nfs/dbraw/zinc/67/37/36/641673736.db2.gz XUNLQTVGGHQNGE-OLZOCXBDSA-N 1 0 238.375 2.154 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089385535 641674799 /nfs/dbraw/zinc/67/47/99/641674799.db2.gz NEFQIERABLKVOU-JHJVBQTASA-N 1 0 238.375 2.010 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC1CCCCC1 ZINC000089385507 641674841 /nfs/dbraw/zinc/67/48/41/641674841.db2.gz MZOSSLLNNNFQMJ-AAEUAGOBSA-N 1 0 238.375 2.200 10 0 BEAERO Cc1cc(NC[C@H]2CC=CCC2)nc(N)[nH+]1 ZINC000049281767 641714074 /nfs/dbraw/zinc/71/40/74/641714074.db2.gz DYNMGUGXQLILLD-JTQLQIEISA-N 1 0 218.304 2.135 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000324413599 641831821 /nfs/dbraw/zinc/83/18/21/641831821.db2.gz QTSQVBXGDRAYPP-OLZOCXBDSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000324413597 641831974 /nfs/dbraw/zinc/83/19/74/641831974.db2.gz QTSQVBXGDRAYPP-CHWSQXEVSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000324413600 641832091 /nfs/dbraw/zinc/83/20/91/641832091.db2.gz QTSQVBXGDRAYPP-QWHCGFSZSA-N 1 0 224.392 2.495 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000233416948 642670754 /nfs/dbraw/zinc/67/07/54/642670754.db2.gz SERPZODMCRUMHD-IUCAKERBSA-N 1 0 227.739 2.352 10 0 BEAERO C[C@@H](NC(=O)CCCCC[NH3+])C1CCCC1 ZINC000069805611 642918321 /nfs/dbraw/zinc/91/83/21/642918321.db2.gz BOSOBHIWKUKVTK-LLVKDONJSA-N 1 0 226.364 2.200 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2=O)o1 ZINC000182579183 643030171 /nfs/dbraw/zinc/03/01/71/643030171.db2.gz PGUCFCBOHRUQNW-QWRGUYRKSA-N 1 0 237.299 2.192 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C1CC1 ZINC000070880524 643075079 /nfs/dbraw/zinc/07/50/79/643075079.db2.gz ONGBQWOINJHYEE-FZMZJTMJSA-N 1 0 219.328 2.417 10 0 BEAERO CC[C@]1(C)CCO[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000757141893 643302535 /nfs/dbraw/zinc/30/25/35/643302535.db2.gz COCVAWOPYMCNID-VXGBXAGGSA-N 1 0 213.321 2.060 10 0 BEAERO Cc1cc2c(ncnc2NCC[C@H](C)[NH3+])s1 ZINC000082485815 643320865 /nfs/dbraw/zinc/32/08/65/643320865.db2.gz ZQYKLFZGDAWPBG-ZETCQYMHSA-N 1 0 236.344 2.149 10 0 BEAERO c1ccc(C[C@H]2CCO[C@]3(CCSC3)[NH2+]2)cc1 ZINC000757149079 643333180 /nfs/dbraw/zinc/33/31/80/643333180.db2.gz OOIYJYFOELXNAJ-KGLIPLIRSA-N 1 0 249.379 2.441 10 0 BEAERO c1ccc(C[C@H]2CCO[C@@]3(CCSC3)[NH2+]2)cc1 ZINC000757149084 643333337 /nfs/dbraw/zinc/33/33/37/643333337.db2.gz OOIYJYFOELXNAJ-ZIAGYGMSSA-N 1 0 249.379 2.441 10 0 BEAERO CC[C@H](C)c1noc(CC[NH2+]C(C)C)n1 ZINC000082561085 643342147 /nfs/dbraw/zinc/34/21/47/643342147.db2.gz AMIDJFZCVKJPAD-VIFPVBQESA-N 1 0 211.309 2.124 10 0 BEAERO CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1c1ccsc1 ZINC000757211036 643369879 /nfs/dbraw/zinc/36/98/79/643369879.db2.gz FRMOFKRCLOPVPK-GHMZBOCLSA-N 1 0 239.340 2.352 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](C(F)(F)F)C[C@@H]2C ZINC000235591364 643441518 /nfs/dbraw/zinc/44/15/18/643441518.db2.gz WJQPHLOVNIYWCX-NKWVEPMBSA-N 1 0 219.210 2.499 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2ccc(Cl)nn2)C1 ZINC000042359012 643507112 /nfs/dbraw/zinc/50/71/12/643507112.db2.gz YGEDSKOQKBLOPS-VIFPVBQESA-N 1 0 240.738 2.026 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000049948619 643563764 /nfs/dbraw/zinc/56/37/64/643563764.db2.gz VRIDZBMQGBWIGH-NEPJUHHUSA-N 1 0 249.310 2.072 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC)cc1 ZINC000049948968 643566542 /nfs/dbraw/zinc/56/65/42/643566542.db2.gz LUNZIBGDRHWXFP-KGLIPLIRSA-N 1 0 235.327 2.352 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000049948947 643567351 /nfs/dbraw/zinc/56/73/51/643567351.db2.gz AOOZRLBONFLWIS-OLZOCXBDSA-N 1 0 223.291 2.483 10 0 BEAERO CCCCOCCN(C)C1(C[NH3+])CCCCC1 ZINC000050088067 643591099 /nfs/dbraw/zinc/59/10/99/643591099.db2.gz AGYWUBNYCQOGEX-UHFFFAOYSA-N 1 0 242.407 2.397 10 0 BEAERO CCCCN(C)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301402 643658115 /nfs/dbraw/zinc/65/81/15/643658115.db2.gz CNJVABMVRQRPJC-NWDGAFQWSA-N 1 0 226.364 2.010 10 0 BEAERO CCCCCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309664 643658472 /nfs/dbraw/zinc/65/84/72/643658472.db2.gz BHZMETFSDJTOSN-RYUDHWBXSA-N 1 0 226.364 2.058 10 0 BEAERO [NH3+]C1CC(CNc2nc3ccccc3s2)C1 ZINC000084448002 643662806 /nfs/dbraw/zinc/66/28/06/643662806.db2.gz HEZJPBLGANTKID-UHFFFAOYSA-N 1 0 233.340 2.446 10 0 BEAERO [NH3+]C[C@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000050249831 643664604 /nfs/dbraw/zinc/66/46/04/643664604.db2.gz UEUBFZWGTYJLOB-LLVKDONJSA-N 1 0 227.311 2.020 10 0 BEAERO CC[C@H](C)c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000085007944 643677584 /nfs/dbraw/zinc/67/75/84/643677584.db2.gz MOSNGIGBCZLLPI-YIZRAAEISA-N 1 0 209.293 2.178 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085010625 643678899 /nfs/dbraw/zinc/67/88/99/643678899.db2.gz TZBNMJDYWZTLOA-TUAOUCFPSA-N 1 0 226.364 2.199 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000050370010 643690521 /nfs/dbraw/zinc/69/05/21/643690521.db2.gz UBPDSKHPBQUVTH-OLZOCXBDSA-N 1 0 221.300 2.049 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]CCOCCC(C)C ZINC000050372681 643692321 /nfs/dbraw/zinc/69/23/21/643692321.db2.gz XGNOOUZKCQSZLB-STQMWFEESA-N 1 0 229.364 2.206 10 0 BEAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CC(C)(C)C1 ZINC000050393747 643696258 /nfs/dbraw/zinc/69/62/58/643696258.db2.gz USRGWJUVLADHCE-SDDRHHMPSA-N 1 0 238.375 2.069 10 0 BEAERO CCOC(=O)c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000095067855 643710701 /nfs/dbraw/zinc/71/07/01/643710701.db2.gz ARIPODSQBYGEAF-LBPRGKRZSA-N 1 0 219.284 2.288 10 0 BEAERO C[C@H](C[NH3+])c1noc(C2C(C)(C)C2(C)C)n1 ZINC000085710765 643789956 /nfs/dbraw/zinc/78/99/56/643789956.db2.gz SZMHDZVLWIASKA-SSDOTTSWSA-N 1 0 223.320 2.281 10 0 BEAERO CCCN(CC)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301708 644422622 /nfs/dbraw/zinc/42/26/22/644422622.db2.gz VYMLQEMYUNXWFP-NEPJUHHUSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)c1noc([C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000084300294 644422732 /nfs/dbraw/zinc/42/27/32/644422732.db2.gz IROUWNCVTHENAA-UWVGGRQHSA-N 1 0 223.320 2.426 10 0 BEAERO CCCN(CC)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301714 644424170 /nfs/dbraw/zinc/42/41/70/644424170.db2.gz VYMLQEMYUNXWFP-RYUDHWBXSA-N 1 0 226.364 2.010 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc(C2CC2)cc1 ZINC000087012363 644455562 /nfs/dbraw/zinc/45/55/62/644455562.db2.gz ZDXARLGYXFNWJE-LBPRGKRZSA-N 1 0 219.284 2.127 10 0 BEAERO C[NH2+][C@H](C)c1nc(-c2cscc2C)no1 ZINC000087287769 644487510 /nfs/dbraw/zinc/48/75/10/644487510.db2.gz BJALPDYTMSYMFL-SSDOTTSWSA-N 1 0 223.301 2.387 10 0 BEAERO CC(C)(C)OC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000199843117 644498936 /nfs/dbraw/zinc/49/89/36/644498936.db2.gz LRWFWBFPWSIXBG-NXEZZACHSA-N 1 0 213.321 2.236 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000089065224 644534371 /nfs/dbraw/zinc/53/43/71/644534371.db2.gz RSLIRMPKBZBFQG-ZDUSSCGKSA-N 1 0 235.327 2.448 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089386287 644547094 /nfs/dbraw/zinc/54/70/94/644547094.db2.gz ODSVLHKMPIYMAC-STQMWFEESA-N 1 0 240.391 2.400 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450943 644551252 /nfs/dbraw/zinc/55/12/52/644551252.db2.gz PAKYLLWVKMUCED-XQQFMLRXSA-N 1 0 240.391 2.446 10 0 BEAERO CCN(C(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(C)cc1 ZINC000091542507 644629568 /nfs/dbraw/zinc/62/95/68/644629568.db2.gz WKQHJVCZIMFYEM-STQMWFEESA-N 1 0 246.354 2.475 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCCCCC1 ZINC000094647139 644723654 /nfs/dbraw/zinc/72/36/54/644723654.db2.gz UJJXWLFTNAZKBI-STQMWFEESA-N 1 0 238.375 2.167 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000094648055 644724109 /nfs/dbraw/zinc/72/41/09/644724109.db2.gz WDYQQCZPEIGFDN-JSGCOSHPSA-N 1 0 246.354 2.346 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2C)C[C@@H]1C ZINC000094996299 644734959 /nfs/dbraw/zinc/73/49/59/644734959.db2.gz WVISGEPPIIOBFH-GXTWGEPZSA-N 1 0 247.338 2.236 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1c(F)ccc(F)c1Cl ZINC000095638494 644761571 /nfs/dbraw/zinc/76/15/71/644761571.db2.gz BLTJSGRXKYESHT-ZETCQYMHSA-N 1 0 249.644 2.181 10 0 BEAERO Cc1ccc([C@@H]([NH3+])CCO)cc1Br ZINC000095764592 644773695 /nfs/dbraw/zinc/77/36/95/644773695.db2.gz NIIWZIIFUFGQJK-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO C[NH2+][C@@H]1CCCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000250737196 644777744 /nfs/dbraw/zinc/77/77/44/644777744.db2.gz LVUTYPCUDAFQQS-QLFBSQMISA-N 1 0 230.355 2.226 10 0 BEAERO [NH3+]CC[C@@H]1CN(C[C@H]2CCCO2)c2ccccc21 ZINC000250854447 644783553 /nfs/dbraw/zinc/78/35/53/644783553.db2.gz OTRZTYLMGUMAKT-CHWSQXEVSA-N 1 0 246.354 2.118 10 0 BEAERO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1COc2ccccc21 ZINC000251244521 644799355 /nfs/dbraw/zinc/79/93/55/644799355.db2.gz SURSCSRVBNRQJR-DYEKYZERSA-N 1 0 246.354 2.240 10 0 BEAERO C[C@@H]1CCC[C@H](c2noc([C@H]3CC[NH2+]C3)n2)C1 ZINC000251869933 644828121 /nfs/dbraw/zinc/82/81/21/644828121.db2.gz QMAFZVVHNMMXFE-VWYCJHECSA-N 1 0 235.331 2.440 10 0 BEAERO C[C@H](C[NH3+])c1noc(C(C2CC2)C2CC2)n1 ZINC000303676342 644834466 /nfs/dbraw/zinc/83/44/66/644834466.db2.gz KWMIMUTXVIZHMS-SSDOTTSWSA-N 1 0 221.304 2.035 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C(C2CC2)C2CC2)n1 ZINC000303676343 644835463 /nfs/dbraw/zinc/83/54/63/644835463.db2.gz KWMIMUTXVIZHMS-ZETCQYMHSA-N 1 0 221.304 2.035 10 0 BEAERO C[C@@H]1C[C@@H]1c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000252129955 644837276 /nfs/dbraw/zinc/83/72/76/644837276.db2.gz LWPPHZDTQKJINJ-KATARQTJSA-N 1 0 221.304 2.035 10 0 BEAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ccc(O)cc3)no2)C1 ZINC000097067688 644867806 /nfs/dbraw/zinc/86/78/06/644867806.db2.gz RPLGFFDQXASRBF-UWVGGRQHSA-N 1 0 245.282 2.037 10 0 BEAERO [NH3+][C@H]1CC[C@H](c2nc(CC3CCC3)no2)C1 ZINC000304620350 644922247 /nfs/dbraw/zinc/92/22/47/644922247.db2.gz PBHKONBGIPCWFY-UWVGGRQHSA-N 1 0 221.304 2.007 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000253130761 644937886 /nfs/dbraw/zinc/93/78/86/644937886.db2.gz VXKVVNDRMISVSW-CHWSQXEVSA-N 1 0 239.359 2.245 10 0 BEAERO CCC[C@H]1CCCC[N@@H+]1C[C@H](O)C1CC1 ZINC000214199645 645848134 /nfs/dbraw/zinc/84/81/34/645848134.db2.gz UZAQAJUIZIBOLC-STQMWFEESA-N 1 0 211.349 2.412 10 0 BEAERO OC[C@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC000308413976 711526171 /nfs/dbraw/zinc/52/61/71/711526171.db2.gz NFLJGOKHJJSPBH-IBHLPDHGSA-N 1 0 211.692 2.062 10 0 BEAERO c1cc2c(nc1C[NH2+]CC1CC1)CCCC2 ZINC000309408355 711697778 /nfs/dbraw/zinc/69/77/78/711697778.db2.gz XOAXDYLMXVPKCX-UHFFFAOYSA-N 1 0 216.328 2.460 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCO[C@@H]2C)cc(Cl)n1 ZINC000309962879 711700285 /nfs/dbraw/zinc/70/02/85/711700285.db2.gz MDPVYTUVLKMKBB-KOLCDFICSA-N 1 0 240.734 2.310 10 0 BEAERO CC(C)([NH3+])CCNc1cccc(Cl)n1 ZINC000307226780 711773997 /nfs/dbraw/zinc/77/39/97/711773997.db2.gz BYTTUUIWSXJDLN-UHFFFAOYSA-N 1 0 213.712 2.274 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])Cc1nc([C@H]2CC23CC3)no1 ZINC000700429152 711993345 /nfs/dbraw/zinc/99/33/45/711993345.db2.gz RDBJSTUKPIWQHT-BDAKNGLRSA-N 1 0 235.331 2.253 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOC1CCCCC1 ZINC000701326276 712020561 /nfs/dbraw/zinc/02/05/61/712020561.db2.gz IHINMYYAFGKWQD-OCCSQVGLSA-N 1 0 241.375 2.181 10 0 BEAERO CSC1CC([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000706926836 712161406 /nfs/dbraw/zinc/16/14/06/712161406.db2.gz CQACAYZNGXIUSA-YYJSSNLHSA-N 1 0 229.389 2.428 10 0 BEAERO CCCCCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708942256 712203094 /nfs/dbraw/zinc/20/30/94/712203094.db2.gz BMLCGBXDVQGCGU-STQMWFEESA-N 1 0 228.380 2.005 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708975153 712204255 /nfs/dbraw/zinc/20/42/55/712204255.db2.gz MGYJVMCYDKQNDS-VHSXEESVSA-N 1 0 239.281 2.422 10 0 BEAERO CC1(C)C[C@H](C[N@@H+]2CCC[C@H]2CN)C(C)(C)O1 ZINC000709695916 712215990 /nfs/dbraw/zinc/21/59/90/712215990.db2.gz IJESZOCAOUXWLO-NEPJUHHUSA-N 1 0 240.391 2.003 10 0 BEAERO CCc1nsc(N(C)CCCCCC[NH3+])n1 ZINC000710782364 712256048 /nfs/dbraw/zinc/25/60/48/712256048.db2.gz UUIIXNNSPUSXER-UHFFFAOYSA-N 1 0 242.392 2.056 10 0 BEAERO C[C@H]1CC[C@@H](CNc2cncc(Cl)n2)[N@@H+]1C ZINC000378719811 712358125 /nfs/dbraw/zinc/35/81/25/712358125.db2.gz FHTLZPIVGKMGPZ-IUCAKERBSA-N 1 0 240.738 2.025 10 0 BEAERO CCCCCC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000378786016 712361236 /nfs/dbraw/zinc/36/12/36/712361236.db2.gz LIBXNFOGYXQNLG-FRRDWIJNSA-N 1 0 229.364 2.085 10 0 BEAERO C[C@H](C[N@H+](C)[C@H](CN)C1CC1)C(C)(C)C ZINC000379779783 712398887 /nfs/dbraw/zinc/39/88/87/712398887.db2.gz BSGWSJISSZQMNN-ZYHUDNBSSA-N 1 0 212.381 2.338 10 0 BEAERO C=C/C=C\CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000713645841 712468153 /nfs/dbraw/zinc/46/81/53/712468153.db2.gz UXHPIJQNPJRXDO-JJVDHKILSA-N 1 0 221.344 2.212 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000714322064 712482338 /nfs/dbraw/zinc/48/23/38/712482338.db2.gz ZESMHKAMXZPXEV-UPJWGTAASA-N 1 0 241.375 2.179 10 0 BEAERO COC1CC(C[NH2+][C@@H](C)c2ccns2)C1 ZINC000715899569 712541008 /nfs/dbraw/zinc/54/10/08/712541008.db2.gz NJWCKMWFJKERLY-IDKOKCKLSA-N 1 0 226.345 2.219 10 0 BEAERO CC[C@H](C[C@H](C)O)[NH2+]CCc1ccccc1 ZINC000716955328 712599703 /nfs/dbraw/zinc/59/97/03/712599703.db2.gz PVHIFNCJOCVOPC-GXTWGEPZSA-N 1 0 221.344 2.368 10 0 BEAERO COC(=O)/C(C)=C\C[NH2+]C1(C2CCC2)CCC1 ZINC000717883469 712731270 /nfs/dbraw/zinc/73/12/70/712731270.db2.gz CGLJJTDWBFGAJT-XFFZJAGNSA-N 1 0 237.343 2.418 10 0 BEAERO Cc1coc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000718147242 712748493 /nfs/dbraw/zinc/74/84/93/712748493.db2.gz WVRZCIVWRQZCJS-NSHDSACASA-N 1 0 209.289 2.247 10 0 BEAERO COC1CC([NH2+][C@@H]2CCC[C@H](OC)CC2)C1 ZINC000718855896 712786180 /nfs/dbraw/zinc/78/61/80/712786180.db2.gz AFQOTKBIPXNWAG-IGJPJIBNSA-N 1 0 227.348 2.101 10 0 BEAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCCCCC1(C)C ZINC000719236301 712800792 /nfs/dbraw/zinc/80/07/92/712800792.db2.gz JRZAFCPBPWVGNZ-MNOVXSKESA-N 1 0 226.364 2.199 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCCCCC1(C)C)C(=O)NC ZINC000719267130 712802531 /nfs/dbraw/zinc/80/25/31/712802531.db2.gz MFYOWOBWUIOKAU-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO C[C@H](C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)C(C)(C)C ZINC000720932637 712880184 /nfs/dbraw/zinc/88/01/84/712880184.db2.gz WPTAARIXFWXDNM-JHJVBQTASA-N 1 0 224.392 2.495 10 0 BEAERO CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000721168430 712894021 /nfs/dbraw/zinc/89/40/21/712894021.db2.gz ORBMWYZKFVHUSR-XJFOESAGSA-N 1 0 241.375 2.085 10 0 BEAERO [NH3+]CC12CCC(CC1)N2c1ncccc1Cl ZINC000722988460 710723690 /nfs/dbraw/zinc/72/36/90/710723690.db2.gz YXENYMRCYLMITA-UHFFFAOYSA-N 1 0 237.734 2.195 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724273903 710737970 /nfs/dbraw/zinc/73/79/70/710737970.db2.gz CIYQXGQALSWIGH-ZUWCUPBKSA-N 1 0 241.375 2.347 10 0 BEAERO C[C@@H]([NH3+])CN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000380498592 712901461 /nfs/dbraw/zinc/90/14/61/712901461.db2.gz AOYSBZNEVONRNA-SSDOTTSWSA-N 1 0 243.694 2.032 10 0 BEAERO COc1cc(C)c(-c2cnn(CC[NH3+])c2)cc1C ZINC000381159556 710605834 /nfs/dbraw/zinc/60/58/34/710605834.db2.gz QHLPEYZWRKYHKO-UHFFFAOYSA-N 1 0 245.326 2.134 10 0 BEAERO Cc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000381278800 710616429 /nfs/dbraw/zinc/61/64/29/710616429.db2.gz UIHYRGCZELWKSW-MNOVXSKESA-N 1 0 249.314 2.443 10 0 BEAERO C[C@H]1C[C@H](CO)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000722618875 711455904 /nfs/dbraw/zinc/45/59/04/711455904.db2.gz WWQRALCIKUAKAX-VHSXEESVSA-N 1 0 233.302 2.125 10 0 BEAERO C[C@@H]([NH2+]Cc1scnc1Cl)[C@@H]1CCCO1 ZINC000713445950 711490033 /nfs/dbraw/zinc/49/00/33/711490033.db2.gz AOIXCWXVZPPJPB-SFYZADRCSA-N 1 0 246.763 2.454 10 0 BEAERO Cc1cc(C)nc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000723868103 711540310 /nfs/dbraw/zinc/54/03/10/711540310.db2.gz OWZPGEBOMKESAP-HNNXBMFYSA-N 1 0 248.370 2.435 10 0 BEAERO CC[NH+]1CCC(NCc2ncc(C)cc2C)CC1 ZINC000724021655 711556864 /nfs/dbraw/zinc/55/68/64/711556864.db2.gz FWFAPOYKFXOFJV-UHFFFAOYSA-N 1 0 247.386 2.272 10 0 BEAERO CC[C@H](COC)[NH2+]Cc1ncc(C)cc1C ZINC000724020823 711556921 /nfs/dbraw/zinc/55/69/21/711556921.db2.gz FGNIUTLGSNQCMX-GFCCVEGCSA-N 1 0 222.332 2.213 10 0 BEAERO Cc1cnc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000724056996 711558404 /nfs/dbraw/zinc/55/84/04/711558404.db2.gz OHTQFDAZGYFUCE-PBWFPOADSA-N 1 0 245.370 2.071 10 0 BEAERO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ncc(C)cc1C ZINC000724097953 711560553 /nfs/dbraw/zinc/56/05/53/711560553.db2.gz NMJMLJDVRWQTNY-OCCSQVGLSA-N 1 0 234.343 2.213 10 0 BEAERO CSC1CC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000724245606 711571958 /nfs/dbraw/zinc/57/19/58/711571958.db2.gz CVWWTBSLMAWOQV-XSQGIZAWSA-N 1 0 229.389 2.426 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2COCC2(C)C)C[C@H](C)O1 ZINC000724265119 711573111 /nfs/dbraw/zinc/57/31/11/711573111.db2.gz RROAQDYVJQPXMB-RNJOBUHISA-N 1 0 241.375 2.205 10 0 BEAERO CC[C@@H]1COC[C@@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000724305223 711573947 /nfs/dbraw/zinc/57/39/47/711573947.db2.gz WLFUWUAYMRODHY-OXHZDVMGSA-N 1 0 241.375 2.205 10 0 BEAERO OC1CC2(C[C@@H]2[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000724968099 711638803 /nfs/dbraw/zinc/63/88/03/711638803.db2.gz ZPAPBUSCJNORMN-YTELLUSKSA-N 1 0 229.323 2.177 10 0 BEAERO Cl/C=C\CN1CC[C@@H](Oc2cccnc2)C1 ZINC000255780646 711664847 /nfs/dbraw/zinc/66/48/47/711664847.db2.gz XWYPOGKEXJICPE-BXETVTBUSA-N 1 0 238.718 2.287 10 0 BEAERO C[C@@H]1CCC[C@]1(O)C[NH2+]CCc1ccccc1 ZINC000328125694 711689943 /nfs/dbraw/zinc/68/99/43/711689943.db2.gz UABBQYBGSGMVQI-HIFRSBDPSA-N 1 0 233.355 2.370 10 0 BEAERO C[C@@H]1CCC[C@@]1(O)C[NH2+]CCc1ccccc1 ZINC000328125695 711690002 /nfs/dbraw/zinc/69/00/02/711690002.db2.gz UABBQYBGSGMVQI-UKRRQHHQSA-N 1 0 233.355 2.370 10 0 BEAERO C[C@H]([NH3+])CNc1ccnc2c(F)cccc12 ZINC000257761851 711727870 /nfs/dbraw/zinc/72/78/70/711727870.db2.gz XEYGGVMABYUSCW-QMMMGPOBSA-N 1 0 219.263 2.133 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000721858084 711791727 /nfs/dbraw/zinc/79/17/27/711791727.db2.gz OYFJXDQNVMRGOB-VXNVDRBHSA-N 1 0 245.248 2.120 10 0 BEAERO CC(C)(C)c1ccnc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721874441 711794049 /nfs/dbraw/zinc/79/40/49/711794049.db2.gz QZQUKQIPPJWTCO-LLVKDONJSA-N 1 0 248.374 2.184 10 0 BEAERO Cc1cc(NCc2cccc(F)c2)nc(N)[nH+]1 ZINC000046485158 711831388 /nfs/dbraw/zinc/83/13/88/711831388.db2.gz KDAYNYURUJOZQY-UHFFFAOYSA-N 1 0 232.262 2.118 10 0 BEAERO C[C@@H](C[NH2+][C@H]1CCCSC1)N1CCCCC1 ZINC000061588822 711839073 /nfs/dbraw/zinc/83/90/73/711839073.db2.gz COZMWTRXIIQDGG-STQMWFEESA-N 1 0 242.432 2.346 10 0 BEAERO CC[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000128937509 711943719 /nfs/dbraw/zinc/94/37/19/711943719.db2.gz JGQICMOBSYYPSJ-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2C=CCC2)[C@H]2CCO[C@@H]21 ZINC000700502741 711995499 /nfs/dbraw/zinc/99/54/99/711995499.db2.gz MXGXZXVUUOTTRF-KKOKHZNYSA-N 1 0 207.317 2.108 10 0 BEAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000700463066 711996299 /nfs/dbraw/zinc/99/62/99/711996299.db2.gz RIQKXSQVBYTFLG-CKYFFXLPSA-N 1 0 249.358 2.405 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@H](C)Oc2ccccc2)n1 ZINC000700674959 712001841 /nfs/dbraw/zinc/00/18/41/712001841.db2.gz HTDRLFFTHXXNBT-ZJUUUORDSA-N 1 0 247.298 2.272 10 0 BEAERO OCC[C@H]1CC[N@H+](CCOC2CCCCC2)C1 ZINC000701325084 712020636 /nfs/dbraw/zinc/02/06/36/712020636.db2.gz AIUNTLKBKQBLCY-CYBMUJFWSA-N 1 0 241.375 2.040 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1(Cl)CC1 ZINC000702262511 712042531 /nfs/dbraw/zinc/04/25/31/712042531.db2.gz HJJBAGUVRZPPPI-DTWKUNHWSA-N 1 0 219.756 2.143 10 0 BEAERO CC1(C)C[C@H]1c1noc(C2=CC[C@@H]([NH3+])C2)n1 ZINC000702225914 712042971 /nfs/dbraw/zinc/04/29/71/712042971.db2.gz DEACBAALYGMPEV-BDAKNGLRSA-N 1 0 219.288 2.088 10 0 BEAERO CC(C)C1([NH2+]Cc2cc(Cl)n(C)n2)CC1 ZINC000706197579 712142028 /nfs/dbraw/zinc/14/20/28/712142028.db2.gz GQIPCOSNZCHMGO-UHFFFAOYSA-N 1 0 227.739 2.352 10 0 BEAERO C[C@H](C[NH3+])c1noc([C@@H]2CCCC23CC3)n1 ZINC000706284272 712144051 /nfs/dbraw/zinc/14/40/51/712144051.db2.gz LRGWHVAQTTZZDT-BDAKNGLRSA-N 1 0 221.304 2.180 10 0 BEAERO CO[C@H]1CCC[C@@H]1[NH2+]C1CC(SC)C1 ZINC000706879423 712157578 /nfs/dbraw/zinc/15/75/78/712157578.db2.gz SYSDHLYNDRUTSQ-TVUZUIDESA-N 1 0 215.362 2.038 10 0 BEAERO CSC1CC([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000706926830 712161427 /nfs/dbraw/zinc/16/14/27/712161427.db2.gz CQACAYZNGXIUSA-HBIQZDMRSA-N 1 0 229.389 2.428 10 0 BEAERO CC[C@@H]1C[C@@H]([NH2+]C2CC(SC)C2)CO1 ZINC000706955312 712162697 /nfs/dbraw/zinc/16/26/97/712162697.db2.gz FOWQUJKIYJQRTF-WYNUPADASA-N 1 0 215.362 2.038 10 0 BEAERO C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CO)C1)C(C)(C)C ZINC000708688054 712197020 /nfs/dbraw/zinc/19/70/20/712197020.db2.gz ZUJIKKSVXJYHET-WOPDTQHZSA-N 1 0 213.365 2.229 10 0 BEAERO C[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000708973809 712204339 /nfs/dbraw/zinc/20/43/39/712204339.db2.gz IORGSANOHKQBGT-OPRDCNLKSA-N 1 0 237.265 2.174 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708975151 712204425 /nfs/dbraw/zinc/20/44/25/712204425.db2.gz MGYJVMCYDKQNDS-NXEZZACHSA-N 1 0 239.281 2.422 10 0 BEAERO CC(C)(O)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708977145 712205270 /nfs/dbraw/zinc/20/52/70/712205270.db2.gz ZXPICPWVOCBOGL-VIFPVBQESA-N 1 0 225.254 2.032 10 0 BEAERO C[C@]1(C(F)(F)F)CC[N@H+](CC2(O)CCC2)C1 ZINC000709024976 712206189 /nfs/dbraw/zinc/20/61/89/712206189.db2.gz DFNPVLULSLFQJZ-VIFPVBQESA-N 1 0 237.265 2.176 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCC1CCC2(CC2)CC1 ZINC000709973563 712235739 /nfs/dbraw/zinc/23/57/39/712235739.db2.gz YTMFURXJTMKSTC-LBPRGKRZSA-N 1 0 238.375 2.200 10 0 BEAERO CCCC[NH2+]Cc1cn2c(n1)CCCC2 ZINC000710183022 712247745 /nfs/dbraw/zinc/24/77/45/712247745.db2.gz PCIQIQHNJVNGIW-UHFFFAOYSA-N 1 0 207.321 2.109 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710670320 712265689 /nfs/dbraw/zinc/26/56/89/712265689.db2.gz KTNFCNLVGVJTTJ-JQWIXIFHSA-N 1 0 240.372 2.093 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711413135 712298699 /nfs/dbraw/zinc/29/86/99/712298699.db2.gz ICCPOJVBDFGOLP-NEPJUHHUSA-N 1 0 241.375 2.085 10 0 BEAERO c1ncn(CC[NH2+][C@@H](C2CCC2)C2CCCC2)n1 ZINC000711895034 712337986 /nfs/dbraw/zinc/33/79/86/712337986.db2.gz PCNOJMVMYRYZCR-CQSZACIVSA-N 1 0 248.374 2.227 10 0 BEAERO C[C@H]([NH2+][C@H]1COc2ccccc21)[C@H]1CCCO1 ZINC000379765561 712397982 /nfs/dbraw/zinc/39/79/82/712397982.db2.gz IHNWKWIMOKRYGR-WCFLWFBJSA-N 1 0 233.311 2.277 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C)CC(C)(C)C1 ZINC000712556772 712445429 /nfs/dbraw/zinc/44/54/29/712445429.db2.gz KRVGKNAEKJULEO-FRRDWIJNSA-N 1 0 224.392 2.495 10 0 BEAERO CN(c1ncccc1F)C1(C[NH3+])CCCCC1 ZINC000713371676 712459513 /nfs/dbraw/zinc/45/95/13/712459513.db2.gz YCEQAJPEKCCJFB-UHFFFAOYSA-N 1 0 237.322 2.319 10 0 BEAERO C=C/C=C/CC[N@H+]1CCC[C@@H]1CCCO ZINC000713755524 712471807 /nfs/dbraw/zinc/47/18/07/712471807.db2.gz NSNBLPSNLDPPSV-ITDFMYJTSA-N 1 0 209.333 2.356 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2cccnc2)C1 ZINC000713914762 712472999 /nfs/dbraw/zinc/47/29/99/712472999.db2.gz AAZURKXVJZLJMK-ZBOXLXRLSA-N 1 0 220.316 2.157 10 0 BEAERO COCC1CC([NH2+][C@H]2CCc3cccnc32)C1 ZINC000713934534 712473679 /nfs/dbraw/zinc/47/36/79/712473679.db2.gz DYWXWFVCGBLKBW-GDKBPFBDSA-N 1 0 232.327 2.084 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2ncccc2C(F)(F)F)C1 ZINC000715085786 712507679 /nfs/dbraw/zinc/50/76/79/712507679.db2.gz MNCXYXIPBGCRPW-OCAPTIKFSA-N 1 0 245.248 2.250 10 0 BEAERO OCC[C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715471022 712520024 /nfs/dbraw/zinc/52/00/24/712520024.db2.gz NRWQUBVRQOHIJI-YUTCNCBUSA-N 1 0 223.360 2.127 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC000715816269 712533713 /nfs/dbraw/zinc/53/37/13/712533713.db2.gz XPXOABUGSYENSO-ZYHUDNBSSA-N 1 0 240.734 2.128 10 0 BEAERO CCCn1cc([C@H](C)[NH2+][C@@H](C)C(C)C)nn1 ZINC000715849118 712536233 /nfs/dbraw/zinc/53/62/33/712536233.db2.gz DOLLJINYTCZVIY-QWRGUYRKSA-N 1 0 224.352 2.383 10 0 BEAERO CCC1CCC([NH2+][C@H](C)c2cn(C)nn2)CC1 ZINC000715879554 712539378 /nfs/dbraw/zinc/53/93/78/712539378.db2.gz TUWCITYILKYBLD-VOMCLLRMSA-N 1 0 236.363 2.435 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCCC1CC1 ZINC000716351699 712555995 /nfs/dbraw/zinc/55/59/95/712555995.db2.gz SSANJSXAVQAVJX-LBPRGKRZSA-N 1 0 226.364 2.056 10 0 BEAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000716578452 712564063 /nfs/dbraw/zinc/56/40/63/712564063.db2.gz BCOALLHEUDVRRG-KSSYENDESA-N 1 0 225.376 2.275 10 0 BEAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000716574539 712564208 /nfs/dbraw/zinc/56/42/08/712564208.db2.gz CBKCDTZUQLFBKV-GSZZWUTPSA-N 1 0 223.360 2.172 10 0 BEAERO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716685717 712569775 /nfs/dbraw/zinc/56/97/75/712569775.db2.gz UPHKAQWXYFBQGK-IGJPJIBNSA-N 1 0 238.375 2.055 10 0 BEAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716686455 712569904 /nfs/dbraw/zinc/56/99/04/712569904.db2.gz YPYYGYXOZNZEDP-FIYWTHMPSA-N 1 0 238.375 2.055 10 0 BEAERO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716686460 712570179 /nfs/dbraw/zinc/57/01/79/712570179.db2.gz YPYYGYXOZNZEDP-TUUUFIMRSA-N 1 0 238.375 2.055 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C2CC(C(N)=O)C2)c(C)c1 ZINC000716724784 712571345 /nfs/dbraw/zinc/57/13/45/712571345.db2.gz ZBHCWNCHPQPOLY-HIFPTAJRSA-N 1 0 246.354 2.218 10 0 BEAERO CC(C)([NH3+])CCNc1nccc2cccnc21 ZINC000716908728 712581748 /nfs/dbraw/zinc/58/17/48/712581748.db2.gz QXFQTRBZMMDGLB-UHFFFAOYSA-N 1 0 230.315 2.169 10 0 BEAERO CC(C)[C@H](C)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717155511 712638026 /nfs/dbraw/zinc/63/80/26/712638026.db2.gz OJZWZKNUIRENTM-LPEHRKFASA-N 1 0 238.297 2.242 10 0 BEAERO CC(C)Cc1noc(C2CCC([NH3+])CC2)n1 ZINC000037472104 712642577 /nfs/dbraw/zinc/64/25/77/712642577.db2.gz AIZLPMIEGOKLRX-UHFFFAOYSA-N 1 0 223.320 2.253 10 0 BEAERO CS[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000380003924 712651841 /nfs/dbraw/zinc/65/18/41/712651841.db2.gz KRSBTSKVLTVDCH-MXWKQRLJSA-N 1 0 231.405 2.267 10 0 BEAERO C[C@@]1([NH2+]CCc2ccccc2)CCCOC1 ZINC000221260394 712658620 /nfs/dbraw/zinc/65/86/20/712658620.db2.gz PETVZUPGZDVFHI-CQSZACIVSA-N 1 0 219.328 2.388 10 0 BEAERO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCn1cncn1 ZINC000717454033 712658739 /nfs/dbraw/zinc/65/87/39/712658739.db2.gz JDSVBZUMCWPWEB-NWDGAFQWSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@H](C[NH2+][C@H](CO)C1CCC1)C(C)(C)C ZINC000717612690 712662505 /nfs/dbraw/zinc/66/25/05/712662505.db2.gz JEZZBFFDUVYCBF-ZYHUDNBSSA-N 1 0 213.365 2.419 10 0 BEAERO O[C@@H]1CCC[C@@H](C[NH2+]C2(C3CC3)CCC2)C1 ZINC000717885777 712731489 /nfs/dbraw/zinc/73/14/89/712731489.db2.gz XMDDPYOUMSFWHS-DGCLKSJQSA-N 1 0 223.360 2.460 10 0 BEAERO CCC1CCC(NC(=O)CC2CC([NH3+])C2)CC1 ZINC000718034371 712737452 /nfs/dbraw/zinc/73/74/52/712737452.db2.gz WHVUGHDYLACXRB-UHFFFAOYSA-N 1 0 238.375 2.199 10 0 BEAERO Cc1ccccc1[C@@H](C)NC(=O)CC1CC([NH3+])C1 ZINC000718077585 712741402 /nfs/dbraw/zinc/74/14/02/712741402.db2.gz CPNLPYWWDLGTCN-PNESKVBLSA-N 1 0 246.354 2.300 10 0 BEAERO COCC1CC([NH2+]Cc2cc(C)co2)C1 ZINC000718082822 712741794 /nfs/dbraw/zinc/74/17/94/712741794.db2.gz AMANPETXUBEMAG-UHFFFAOYSA-N 1 0 209.289 2.103 10 0 BEAERO Cc1coc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000718413847 712760180 /nfs/dbraw/zinc/76/01/80/712760180.db2.gz KOKFBQNNVDKWKG-SNVBAGLBSA-N 1 0 247.298 2.180 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000718792800 712784294 /nfs/dbraw/zinc/78/42/94/712784294.db2.gz VADMOLNNVXAUQX-XJFOESAGSA-N 1 0 241.375 2.491 10 0 BEAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000718968252 712790481 /nfs/dbraw/zinc/79/04/81/712790481.db2.gz FLELYUFTASRGPQ-STQMWFEESA-N 1 0 236.359 2.073 10 0 BEAERO COC[C@H](CCO)[NH2+][C@H]1CCCCCC1(C)C ZINC000719236395 712800604 /nfs/dbraw/zinc/80/06/04/712800604.db2.gz JYQBKYSJBHGGOC-STQMWFEESA-N 1 0 243.391 2.332 10 0 BEAERO COC[C@@H](CCO)[NH2+][C@H]1CCCCCC1(C)C ZINC000719236388 712800759 /nfs/dbraw/zinc/80/07/59/712800759.db2.gz JYQBKYSJBHGGOC-OLZOCXBDSA-N 1 0 243.391 2.332 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000719222805 712800887 /nfs/dbraw/zinc/80/08/87/712800887.db2.gz DGIPBTCXDQDYBO-GXTWGEPZSA-N 1 0 241.375 2.086 10 0 BEAERO Cn1cc(C[NH2+][C@@H]2CCCCCC2(C)C)nn1 ZINC000719305693 712804119 /nfs/dbraw/zinc/80/41/19/712804119.db2.gz AGBHKBCBHRCNOL-GFCCVEGCSA-N 1 0 236.363 2.264 10 0 BEAERO C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ncc[nH]1 ZINC000720182798 712828889 /nfs/dbraw/zinc/82/88/89/712828889.db2.gz IWPLKKZBVZXDAJ-DMDPSCGWSA-N 1 0 235.331 2.020 10 0 BEAERO Cc1conc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000720353374 712833103 /nfs/dbraw/zinc/83/31/03/712833103.db2.gz TZKKDZGXZKQDMH-HBNTYKKESA-N 1 0 206.289 2.261 10 0 BEAERO CCCC[C@@H](CC)[NH2+][C@H](C)c1cn(C)nn1 ZINC000720584737 712854609 /nfs/dbraw/zinc/85/46/09/712854609.db2.gz UZBGKHPXAAPGIK-GHMZBOCLSA-N 1 0 224.352 2.435 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1cn(C)nn1 ZINC000720607914 712858354 /nfs/dbraw/zinc/85/83/54/712858354.db2.gz WZQZPTNRQPYLMS-YFKTTZPYSA-N 1 0 234.347 2.044 10 0 BEAERO C[NH2+]CCN(c1nc(C(C)C)ns1)C(C)C ZINC000720800032 712866258 /nfs/dbraw/zinc/86/62/58/712866258.db2.gz PXBRNBCLLBYKBY-UHFFFAOYSA-N 1 0 242.392 2.096 10 0 BEAERO CC1CCC(C[NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000720957035 712882718 /nfs/dbraw/zinc/88/27/18/712882718.db2.gz JXBJEIUVBLFXJZ-VNOJIWKOSA-N 1 0 211.349 2.173 10 0 BEAERO CC[C@H](CC1CCCCC1)[NH2+][C@@H]1CCNC1=O ZINC000720996207 712886465 /nfs/dbraw/zinc/88/64/65/712886465.db2.gz IIQCXZKCXQXBOF-CHWSQXEVSA-N 1 0 238.375 2.214 10 0 BEAERO C[NH2+]C[C@H](C)c1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000721070662 712889677 /nfs/dbraw/zinc/88/96/77/712889677.db2.gz UQQTXYHRKPCNND-UKKRHICBSA-N 1 0 235.331 2.296 10 0 BEAERO c1ccc(NC[C@H]2Cc3ccccc3C[NH2+]2)nc1 ZINC000721091800 712890436 /nfs/dbraw/zinc/89/04/36/712890436.db2.gz PENMFEYKEKHJDZ-CQSZACIVSA-N 1 0 239.322 2.208 10 0 BEAERO Cc1cc(Cl)cc(C)c1C[NH2+]CCCO ZINC000119802034 1165836145 /nfs/dbraw/zinc/83/61/45/1165836145.db2.gz MXTBPFPNFNTGER-UHFFFAOYSA-N 1 0 227.735 2.429 10 0 BEAERO CC(C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000134840330 1167703834 /nfs/dbraw/zinc/70/38/34/1167703834.db2.gz SBHMGBNXDZJUHR-UHFFFAOYSA-N 1 0 221.329 2.432 10 0 BEAERO C[C@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)c1cccnc1 ZINC000136806294 1169480562 /nfs/dbraw/zinc/48/05/62/1169480562.db2.gz RDOCFWVQRWINQY-JQWIXIFHSA-N 1 0 249.358 2.022 10 0 BEAERO Cc1cc(N2CC[C@H]3CCCC[C@@H]3C2)nc(N)[nH+]1 ZINC000035874853 1170909457 /nfs/dbraw/zinc/90/94/57/1170909457.db2.gz GWQPDDXCZYLSGP-VXGBXAGGSA-N 1 0 246.358 2.384 10 0 BEAERO COc1ccc(C[NH2+]C[C@H]2CCCCN2C)cc1 ZINC000044562172 1171395485 /nfs/dbraw/zinc/39/54/85/1171395485.db2.gz GEBMYPGULXMIHM-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO [NH3+]CC(F)(F)COC1CCCCCC1 ZINC000685956082 538902328 /nfs/dbraw/zinc/90/23/28/538902328.db2.gz MNZFJFSHBHSIKW-UHFFFAOYSA-N 1 0 207.264 2.320 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@H](C)c1ccc(F)cc1 ZINC000685963660 538910498 /nfs/dbraw/zinc/91/04/98/538910498.db2.gz VGZBDWGCVXLPMJ-PWSUYJOCSA-N 1 0 225.307 2.147 10 0 BEAERO CC[C@@H]1C[C@H]([NH3+])[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000685959745 538906970 /nfs/dbraw/zinc/90/69/70/538906970.db2.gz RRVPVOJYUPYWKS-GBIKHYSHSA-N 1 0 227.348 2.482 10 0 BEAERO CCCOCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960551 538907478 /nfs/dbraw/zinc/90/74/78/538907478.db2.gz QSYZDOHBKQALKT-UHFFFAOYSA-N 1 0 235.327 2.162 10 0 BEAERO CCC[C@@H](CCC[NH2+]CCCOC)OC ZINC000685960882 538907604 /nfs/dbraw/zinc/90/76/04/538907604.db2.gz GESPGGXXOVVWQL-LBPRGKRZSA-N 1 0 217.353 2.208 10 0 BEAERO CC(C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960484 538907683 /nfs/dbraw/zinc/90/76/83/538907683.db2.gz MOCROGSUPCFKEE-UHFFFAOYSA-N 1 0 205.301 2.391 10 0 BEAERO CC(C)C(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685961076 538908047 /nfs/dbraw/zinc/90/80/47/538908047.db2.gz BIABTUZMCIHKNJ-AAEUAGOBSA-N 1 0 235.327 2.144 10 0 BEAERO CC(C)C1([N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000685961309 538908097 /nfs/dbraw/zinc/90/80/97/538908097.db2.gz QCVONKCUUKOXPW-CYBMUJFWSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[C@@]1(CO)C[C@@H]1C[N@@H+]1CCC[C@@H](C)C1 ZINC000685961400 538908442 /nfs/dbraw/zinc/90/84/42/538908442.db2.gz REOKHUNAXHKBAS-MCIONIFRSA-N 1 0 225.376 2.373 10 0 BEAERO CCC[N@H+](CC)C[C@@H]1C[C@]1(CO)C(C)C ZINC000685961716 538908706 /nfs/dbraw/zinc/90/87/06/538908706.db2.gz VQTVVMVDRASOKR-STQMWFEESA-N 1 0 213.365 2.373 10 0 BEAERO CCC(C)(C)[NH2+]C[C@@H]1C[C@@]1(CO)C(C)C ZINC000685961902 538909405 /nfs/dbraw/zinc/90/94/05/538909405.db2.gz XJJDKFCPMTWEGI-WCQYABFASA-N 1 0 213.365 2.419 10 0 BEAERO C[NH2+]CC[C@@H](CO)[C@H](C)c1ccccc1 ZINC000685963111 538910116 /nfs/dbraw/zinc/91/01/16/538910116.db2.gz GLVVHPIFTZZYCN-YPMHNXCESA-N 1 0 207.317 2.008 10 0 BEAERO CC[C@H](c1ccccc1)[C@@H](CO)CC[NH2+]C ZINC000685963865 538910712 /nfs/dbraw/zinc/91/07/12/538910712.db2.gz YRMOEKSHJPDBEB-ZIAGYGMSSA-N 1 0 221.344 2.398 10 0 BEAERO CC[C@H](c1ccccc1)[C@H](CO)CC[NH2+]C ZINC000685963864 538910866 /nfs/dbraw/zinc/91/08/66/538910866.db2.gz YRMOEKSHJPDBEB-UONOGXRCSA-N 1 0 221.344 2.398 10 0 BEAERO Cc1csc(C[C@H]([NH3+])c2ccco2)n1 ZINC000036281322 343977428 /nfs/dbraw/zinc/97/74/28/343977428.db2.gz KRHJCLKQKVRQRH-QMMMGPOBSA-N 1 0 208.286 2.287 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000088704434 168320984 /nfs/dbraw/zinc/32/09/84/168320984.db2.gz JQHMGCLOJKRQLH-RYUDHWBXSA-N 1 0 240.391 2.399 10 0 BEAERO CCC(CC)(C[NH3+])NC(=O)Oc1ccccc1 ZINC000111822736 168324603 /nfs/dbraw/zinc/32/46/03/168324603.db2.gz JZXMYPKQXYSSSV-UHFFFAOYSA-N 1 0 236.315 2.293 10 0 BEAERO CCC(CC)(C[NH3+])NC(=O)C[C@H](C)C(C)C ZINC000236754940 168323760 /nfs/dbraw/zinc/32/37/60/168323760.db2.gz PJVBLKZJIFRKAZ-NSHDSACASA-N 1 0 228.380 2.302 10 0 BEAERO CCCC1=C(OC)S[C@@](CC[NH3+])(OC)C1 ZINC000071186557 398144766 /nfs/dbraw/zinc/14/47/66/398144766.db2.gz UESSQUKHOUWMAP-LLVKDONJSA-N 1 0 231.361 2.473 10 0 BEAERO C[C@@H]1C[C@@H](C(N)=[NH2+])[C@@H](C)N1c1ccccc1 ZINC000299803549 398144986 /nfs/dbraw/zinc/14/49/86/398144986.db2.gz XPJKPTUBPLKSAC-CKYFFXLPSA-N 1 0 217.316 2.226 10 0 BEAERO Fc1cccc(F)c1C[C@@H]1[NH2+]C[C@H]2C[C@H]21 ZINC000396694846 349481187 /nfs/dbraw/zinc/48/11/87/349481187.db2.gz KUSCLFMPJKYYFT-RWYTXXIDSA-N 1 0 209.239 2.115 10 0 BEAERO Cc1ccccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000161588970 349481566 /nfs/dbraw/zinc/48/15/66/349481566.db2.gz RYQAEDHUUYXEIP-ZDUSSCGKSA-N 1 0 219.328 2.199 10 0 BEAERO Cc1cc(C[NH3+])ccc1Sc1nncs1 ZINC000037733462 177984432 /nfs/dbraw/zinc/98/44/32/177984432.db2.gz OWUCEPADYBZEHD-UHFFFAOYSA-N 1 0 237.353 2.456 10 0 BEAERO CCC(CC)C(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000019843791 168332847 /nfs/dbraw/zinc/33/28/47/168332847.db2.gz VTMKQMHZWHXSPP-CYBMUJFWSA-N 1 0 240.391 2.413 10 0 BEAERO C[C@@H]1CC[C@H]1[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378718638 346815456 /nfs/dbraw/zinc/81/54/56/346815456.db2.gz OTVRUAYEMLWORE-LVEVGFFFSA-N 1 0 209.333 2.188 10 0 BEAERO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1N ZINC000020071820 178007131 /nfs/dbraw/zinc/00/71/31/178007131.db2.gz CCZRSFOJHBJTGY-TXEJJXNPSA-N 1 0 234.343 2.186 10 0 BEAERO Cc1cc2ccccc2nc1NCCC[NH3+] ZINC000063105503 349505681 /nfs/dbraw/zinc/50/56/81/349505681.db2.gz GXYIKPFWYMHSFZ-UHFFFAOYSA-N 1 0 215.300 2.304 10 0 BEAERO Cc1cc(C[NH2+]C(C)C)nc(C[C@H]2CCCO2)n1 ZINC000054831699 178017375 /nfs/dbraw/zinc/01/73/75/178017375.db2.gz KSDXHWQQDGQZLS-CYBMUJFWSA-N 1 0 249.358 2.005 10 0 BEAERO Cc1cc(C[NH2+]C2COC2)ccc1Cl ZINC000287543992 178019041 /nfs/dbraw/zinc/01/90/41/178019041.db2.gz FETVWSXSSHKEPL-UHFFFAOYSA-N 1 0 211.692 2.137 10 0 BEAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)cs1 ZINC000294961608 178024342 /nfs/dbraw/zinc/02/43/42/178024342.db2.gz COBRYCREXRVWPG-VXGBXAGGSA-N 1 0 225.357 2.307 10 0 BEAERO Cc1cc(C[NH2+]Cc2cn[nH]c2)c(C)s1 ZINC000049686927 178026551 /nfs/dbraw/zinc/02/65/51/178026551.db2.gz MQNFCVMTMTZADS-UHFFFAOYSA-N 1 0 221.329 2.378 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)cc(C)c1O ZINC000149380192 178034641 /nfs/dbraw/zinc/03/46/41/178034641.db2.gz UYJVEEFZIGVAKZ-DGCLKSJQSA-N 1 0 235.327 2.276 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc(C)c1O ZINC000128228936 178035159 /nfs/dbraw/zinc/03/51/59/178035159.db2.gz OEKVOMQNESHVNY-CHWSQXEVSA-N 1 0 249.354 2.258 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc(C)c1O ZINC000128228481 178035920 /nfs/dbraw/zinc/03/59/20/178035920.db2.gz OEKVOMQNESHVNY-OLZOCXBDSA-N 1 0 249.354 2.258 10 0 BEAERO CCC[C@H](CC)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000336664809 398178692 /nfs/dbraw/zinc/17/86/92/398178692.db2.gz CXQIQQZYRSKIPW-FRRDWIJNSA-N 1 0 212.381 2.495 10 0 BEAERO F[C@H](c1cncs1)[C@H]1CCCC[NH2+]1 ZINC000575517668 398178699 /nfs/dbraw/zinc/17/86/99/398178699.db2.gz GXHUGBBDYZAZLS-APPZFPTMSA-N 1 0 200.282 2.296 10 0 BEAERO Cc1cc(COc2cccc(C[C@@H](C)[NH3+])c2)on1 ZINC000037726568 178049555 /nfs/dbraw/zinc/04/95/55/178049555.db2.gz IEDPPUOSIULLFB-SNVBAGLBSA-N 1 0 246.310 2.452 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000385429749 398161710 /nfs/dbraw/zinc/16/17/10/398161710.db2.gz IICWEOFRFWFQHF-QWRGUYRKSA-N 1 0 226.364 2.007 10 0 BEAERO Cc1cc(Cl)c2ncc([C@@H](C)[NH3+])n2c1 ZINC000082694151 178061983 /nfs/dbraw/zinc/06/19/83/178061983.db2.gz QZNFIMBARJDBNR-SSDOTTSWSA-N 1 0 209.680 2.316 10 0 BEAERO Cc1cc(Cl)ccc1-c1nnc(CC[NH3+])o1 ZINC000083365356 178065059 /nfs/dbraw/zinc/06/50/59/178065059.db2.gz NHXOIWITNZAZRT-UHFFFAOYSA-N 1 0 237.690 2.200 10 0 BEAERO Cc1cc(Cl)nc(SC[C@H]2CC[NH2+]C2)n1 ZINC000095069430 178071413 /nfs/dbraw/zinc/07/14/13/178071413.db2.gz HQEUXZVVBLZPMU-QMMMGPOBSA-N 1 0 243.763 2.140 10 0 BEAERO CC(C)c1nnc(C2C[C@H](C)[NH2+][C@@H](C)C2)o1 ZINC000536959622 398199280 /nfs/dbraw/zinc/19/92/80/398199280.db2.gz PENRLZBWWPIBOV-IUCAKERBSA-N 1 0 223.320 2.437 10 0 BEAERO Cc1cc(F)ccc1[C@H](O)C1CC[NH2+]CC1 ZINC000036075376 178092246 /nfs/dbraw/zinc/09/22/46/178092246.db2.gz APUCBKDTMBUIOS-CYBMUJFWSA-N 1 0 223.291 2.167 10 0 BEAERO Cc1cc(F)ccc1SCCOCC[NH3+] ZINC000057518203 178092350 /nfs/dbraw/zinc/09/23/50/178092350.db2.gz AZRTWOGHKYNOEJ-UHFFFAOYSA-N 1 0 229.320 2.202 10 0 BEAERO C[NH2+][C@H]1CCC[C@@H](Cc2cncs2)C1 ZINC000159790909 398192980 /nfs/dbraw/zinc/19/29/80/398192980.db2.gz IPTGPRMGEUVYQT-ZJUUUORDSA-N 1 0 210.346 2.464 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000292458366 398194388 /nfs/dbraw/zinc/19/43/88/398194388.db2.gz YPVGIGBCWYHHMG-PSASIEDQSA-N 1 0 226.707 2.002 10 0 BEAERO Cc1cc(N)ccc1NC1CC[NH+](C)CC1 ZINC000037267272 178106192 /nfs/dbraw/zinc/10/61/92/178106192.db2.gz OWQBMWLTEDIMIS-UHFFFAOYSA-N 1 0 219.332 2.083 10 0 BEAERO [NH3+]C[C@@H](c1ccccc1F)C1(CO)CCC1 ZINC000536954033 398197977 /nfs/dbraw/zinc/19/79/77/398197977.db2.gz NDTNVUMVHICTMQ-NSHDSACASA-N 1 0 223.291 2.031 10 0 BEAERO Cc1cc(N2CCC[C@H]2C[NH2+]C(C)(C)C)ncn1 ZINC000053695669 178116134 /nfs/dbraw/zinc/11/61/34/178116134.db2.gz BNFXYDKKTKNCSH-LBPRGKRZSA-N 1 0 248.374 2.142 10 0 BEAERO Cc1cc(N2CCC[C@H]2C[NH+](C)C)ccc1N ZINC000061642916 178116543 /nfs/dbraw/zinc/11/65/43/178116543.db2.gz WPJVNSMEJLHJSS-ZDUSSCGKSA-N 1 0 233.359 2.108 10 0 BEAERO CCCN(CC(C)C)C(=O)C[C@H]([NH3+])C(C)C ZINC000390676193 398200988 /nfs/dbraw/zinc/20/09/88/398200988.db2.gz VKIWVIFNGNUCQX-LBPRGKRZSA-N 1 0 228.380 2.254 10 0 BEAERO CCC[C@H](C)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000336750784 398202115 /nfs/dbraw/zinc/20/21/15/398202115.db2.gz ZUJSOYFZAVYTEP-WDEREUQCSA-N 1 0 221.348 2.293 10 0 BEAERO COc1csc([C@@H]([NH3+])c2ccc[nH]2)c1 ZINC000306815641 398205848 /nfs/dbraw/zinc/20/58/48/398205848.db2.gz CWKVNIKBFICTTK-JTQLQIEISA-N 1 0 208.286 2.133 10 0 BEAERO Cc1cnccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000296230551 398208433 /nfs/dbraw/zinc/20/84/33/398208433.db2.gz CGSSCYTUIQKHDR-AAEUAGOBSA-N 1 0 220.316 2.047 10 0 BEAERO C[N@H+](CCc1ccncc1)C[C@H]1CCC[C@@H](O)C1 ZINC000386559543 398213486 /nfs/dbraw/zinc/21/34/86/398213486.db2.gz VFMSSSNZJDYWCH-LSDHHAIUSA-N 1 0 248.370 2.107 10 0 BEAERO CNc1ccc([C@H]2C[NH2+]CCN2C(C)C)cc1 ZINC000616638394 398215572 /nfs/dbraw/zinc/21/55/72/398215572.db2.gz YPUZBYTXLDKVQL-CQSZACIVSA-N 1 0 233.359 2.083 10 0 BEAERO Cc1cc(NC[C@@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000229568777 178165571 /nfs/dbraw/zinc/16/55/71/178165571.db2.gz HRUBWLXIQBVHEA-AAEUAGOBSA-N 1 0 220.316 2.353 10 0 BEAERO CC(C)(CC[NH3+])NCc1ccc(F)cc1F ZINC000258878693 349519081 /nfs/dbraw/zinc/51/90/81/349519081.db2.gz PXVFUPBZHDHNNU-UHFFFAOYSA-N 1 0 228.286 2.182 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638997597 398219013 /nfs/dbraw/zinc/21/90/13/398219013.db2.gz RFKJQJHMLWPINZ-NQBHXWOUSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1cc(NC2CCC([NH3+])CC2)nc(Cl)n1 ZINC000095068964 178154676 /nfs/dbraw/zinc/15/46/76/178154676.db2.gz SEQMVJLENFIUSZ-UHFFFAOYSA-N 1 0 240.738 2.120 10 0 BEAERO Cc1cc(NCC(C)(C)[NH+](C)C)nc(Cl)n1 ZINC000052814852 178156697 /nfs/dbraw/zinc/15/66/97/178156697.db2.gz SELPBGPSSPGQIM-UHFFFAOYSA-N 1 0 242.754 2.191 10 0 BEAERO C[N@H+](CCC1CC1)C[C@@H]1CCC[C@H](O)C1 ZINC000380072967 488171864 /nfs/dbraw/zinc/17/18/64/488171864.db2.gz JFOCSQLWRVIVHF-OLZOCXBDSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1cc(NCC[NH+]2CCCC2)ccc1N ZINC000054112213 178161005 /nfs/dbraw/zinc/16/10/05/178161005.db2.gz BVUQOJHXNSHZEB-UHFFFAOYSA-N 1 0 219.332 2.085 10 0 BEAERO Cc1cc(NN)[nH+]c(Cc2cccc(Cl)c2)n1 ZINC000051152326 178177632 /nfs/dbraw/zinc/17/76/32/178177632.db2.gz DULPEQRXYBLAFN-UHFFFAOYSA-N 1 0 248.717 2.315 10 0 BEAERO CCC(CC)CN(CC)CC[NH2+][C@H](C)COC ZINC000053430037 168348947 /nfs/dbraw/zinc/34/89/47/168348947.db2.gz KLUDMVNCVOQRNV-CYBMUJFWSA-N 1 0 244.423 2.369 10 0 BEAERO Cc1cc(N[C@H]2CCCC[C@H]2[NH3+])nc(Cl)n1 ZINC000095068968 178188921 /nfs/dbraw/zinc/18/89/21/178188921.db2.gz KTWYUVZZNUIAEI-BDAKNGLRSA-N 1 0 240.738 2.120 10 0 BEAERO Cc1cc(N[C@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000167622256 178186050 /nfs/dbraw/zinc/18/60/50/178186050.db2.gz VNEFQLBFVJDDQL-PWSUYJOCSA-N 1 0 206.289 2.369 10 0 BEAERO Cc1cc(N[C@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000167622460 178186226 /nfs/dbraw/zinc/18/62/26/178186226.db2.gz VNEFQLBFVJDDQL-ZYHUDNBSSA-N 1 0 206.289 2.369 10 0 BEAERO Cc1cn2c(n1)CC[C@H](Nc1cc[nH+]c(C)c1)C2 ZINC000302772401 178190034 /nfs/dbraw/zinc/19/00/34/178190034.db2.gz NLGGAXFHOHTQQM-ZDUSSCGKSA-N 1 0 242.326 2.322 10 0 BEAERO Cc1cc(OC2CC[NH+](C)CC2)ccc1N ZINC000031978470 178207844 /nfs/dbraw/zinc/20/78/44/178207844.db2.gz GORHLDYDYKQSKY-UHFFFAOYSA-N 1 0 220.316 2.050 10 0 BEAERO Cc1cc(Oc2cccc(C[C@H](C)[NH3+])c2)ncn1 ZINC000011849413 178214034 /nfs/dbraw/zinc/21/40/34/178214034.db2.gz PPNBZKFIMHQRGB-JTQLQIEISA-N 1 0 243.310 2.467 10 0 BEAERO Cc1cc(OCC[C@@H]2CCCC[NH2+]2)nc(C)n1 ZINC000051870836 178211389 /nfs/dbraw/zinc/21/13/89/178211389.db2.gz PNJCYVZXUNEPAP-LBPRGKRZSA-N 1 0 235.331 2.004 10 0 BEAERO Cc1ncsc1CNC1=[NH+]CCCS1 ZINC000070837365 361781217 /nfs/dbraw/zinc/78/12/17/361781217.db2.gz KTYMGXIEMWTPHG-UHFFFAOYSA-N 1 0 227.358 2.034 10 0 BEAERO Cc1cc([C@@H](O)C[NH2+]C(C)C)c(C)s1 ZINC000055028973 178239487 /nfs/dbraw/zinc/23/94/87/178239487.db2.gz OQALPAVFFBKROV-NSHDSACASA-N 1 0 213.346 2.396 10 0 BEAERO CCCC[C@H](CC)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000165248523 538935299 /nfs/dbraw/zinc/93/52/99/538935299.db2.gz DCHIGLLCJLLKKM-UONOGXRCSA-N 1 0 242.407 2.266 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]CC(C)(C)C ZINC000165537333 538936085 /nfs/dbraw/zinc/93/60/85/538936085.db2.gz CZFJUBLEDGIHNI-SNVBAGLBSA-N 1 0 222.336 2.057 10 0 BEAERO Cc1cc([C@H](C[NH3+])N(C)C2CC2)c(C)s1 ZINC000049687290 178261474 /nfs/dbraw/zinc/26/14/74/178261474.db2.gz DMWRESWPYPRFLM-LBPRGKRZSA-N 1 0 224.373 2.459 10 0 BEAERO Cc1ccc(C(F)(F)F)cc1NC1=[NH+]CCN1 ZINC000166075928 538938442 /nfs/dbraw/zinc/93/84/42/538938442.db2.gz PHHBPPBBZKIXJT-UHFFFAOYSA-N 1 0 243.232 2.385 10 0 BEAERO Cc1cc2c(c(C)c1O)CC(C)(C)[N+](=O)C2 ZINC000027553067 178283980 /nfs/dbraw/zinc/28/39/80/178283980.db2.gz PJCRCZIAFUURJM-UHFFFAOYSA-N 1 0 219.284 2.273 10 0 BEAERO Cc1cc2c(cc1C)N1CCC[NH+]=C1N2C ZINC000002473789 178284889 /nfs/dbraw/zinc/28/48/89/178284889.db2.gz VAPNOHCQPSMQLI-UHFFFAOYSA-N 1 0 215.300 2.319 10 0 BEAERO Cc1cc2ncc([C@H](C)[NH2+][C@H]3C[C@H]3C)c(C)n2n1 ZINC000249800838 178303808 /nfs/dbraw/zinc/30/38/08/178303808.db2.gz ADFDGYDYQJDGJJ-DVYJOKAKSA-N 1 0 244.342 2.405 10 0 BEAERO Cc1cc2c(n1C[C@@H]1CCOC1)CCC[C@@H]2[NH3+] ZINC000061148225 178293606 /nfs/dbraw/zinc/29/36/06/178293606.db2.gz RBFFWSXXLUZBHJ-AAEUAGOBSA-N 1 0 234.343 2.169 10 0 BEAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCS1 ZINC000381271687 398249895 /nfs/dbraw/zinc/24/98/95/398249895.db2.gz VSRGFCXRCDNZIB-VXGBXAGGSA-N 1 0 243.416 2.365 10 0 BEAERO Cc1ccc(-c2ccc(NN)[nH+]n2)c(C)c1 ZINC000011567891 178325492 /nfs/dbraw/zinc/32/54/92/178325492.db2.gz ZXPAEIGBKYCEJY-UHFFFAOYSA-N 1 0 214.272 2.046 10 0 BEAERO CCC(CC)N(C)C(=O)C1([NH3+])CCCCC1 ZINC000037504888 168367798 /nfs/dbraw/zinc/36/77/98/168367798.db2.gz VZJBYFGUEUPALC-UHFFFAOYSA-N 1 0 226.364 2.295 10 0 BEAERO Cc1ccc(-c2c[nH]c([C@H](C)[NH3+])n2)cc1 ZINC000036872342 178318229 /nfs/dbraw/zinc/31/82/29/178318229.db2.gz BAJSNTLCTIFMQR-VIFPVBQESA-N 1 0 201.273 2.405 10 0 BEAERO CCC(CC)N(C)C(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055128823 168368120 /nfs/dbraw/zinc/36/81/20/168368120.db2.gz LFKXSNXTLAGKJJ-KGYLQXTDSA-N 1 0 240.391 2.397 10 0 BEAERO Cc1ccc(-c2ncc(C[C@@H](C)[NH3+])cn2)cc1 ZINC000054857672 178339003 /nfs/dbraw/zinc/33/90/03/178339003.db2.gz HFRBDQBJERLYLO-LLVKDONJSA-N 1 0 227.311 2.342 10 0 BEAERO Cc1ccc(-c2nnc(CC[NH3+])s2)c(C)c1 ZINC000075430210 178340944 /nfs/dbraw/zinc/34/09/44/178340944.db2.gz JETCVKIYSQYUFT-UHFFFAOYSA-N 1 0 233.340 2.323 10 0 BEAERO CCOC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)C(C)C ZINC000383619068 398258671 /nfs/dbraw/zinc/25/86/71/398258671.db2.gz UVSOXMXGGKNUOQ-MCIONIFRSA-N 1 0 243.391 2.188 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CC(C)(C)O1 ZINC000383873675 398258846 /nfs/dbraw/zinc/25/88/46/398258846.db2.gz IERASLWGERUXGX-UPJWGTAASA-N 1 0 241.375 2.037 10 0 BEAERO CCOC(=O)[C@H](C)[N@H+](C)CC1CCSCC1 ZINC000602467364 349539990 /nfs/dbraw/zinc/53/99/90/349539990.db2.gz IPVBSASBKATOQK-JTQLQIEISA-N 1 0 245.388 2.013 10 0 BEAERO Cc1ccc(-c2ocnc2C[NH3+])cc1F ZINC000082639994 178344968 /nfs/dbraw/zinc/34/49/68/178344968.db2.gz XEJBQYVJKVSMNZ-UHFFFAOYSA-N 1 0 206.220 2.248 10 0 BEAERO CCC(CC)[N@H+](C)CCNCc1cccnc1 ZINC000053383948 168369831 /nfs/dbraw/zinc/36/98/31/168369831.db2.gz FAJSPTHGGDBMMY-UHFFFAOYSA-N 1 0 235.375 2.292 10 0 BEAERO Cc1ccc(Br)cc1N(C)CC[NH3+] ZINC000083256788 178362361 /nfs/dbraw/zinc/36/23/61/178362361.db2.gz CADAWABZVFMARU-UHFFFAOYSA-N 1 0 243.148 2.152 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCCC2(F)F)[C@H](C)C[NH2+]1 ZINC000381580606 398264600 /nfs/dbraw/zinc/26/46/00/398264600.db2.gz BNNMUWSWQHFDKU-IJLUTSLNSA-N 1 0 246.345 2.494 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2ccccn2)CC1 ZINC000616612547 349567491 /nfs/dbraw/zinc/56/74/91/349567491.db2.gz WBUOHZJIUUHVSW-GFCCVEGCSA-N 1 0 219.332 2.368 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H](CC[NH3+])C(C)(C)C ZINC000231204013 538951979 /nfs/dbraw/zinc/95/19/79/538951979.db2.gz MDVBLLYBFRDLTK-VIFPVBQESA-N 1 0 230.352 2.275 10 0 BEAERO CCC(CC)[N@H+](CCO)[C@H]1CCCCC[C@@H]1N ZINC000042513323 168374061 /nfs/dbraw/zinc/37/40/61/168374061.db2.gz DGIKIJLDVJATCK-KBPBESRZSA-N 1 0 242.407 2.129 10 0 BEAERO C[C@H]([NH3+])[C@](C)(O)c1cccc(Br)c1 ZINC000096985901 343999475 /nfs/dbraw/zinc/99/94/75/343999475.db2.gz OIRMXUMJCBWAQQ-XVKPBYJWSA-N 1 0 244.132 2.004 10 0 BEAERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)C(C)C ZINC000040502850 343999302 /nfs/dbraw/zinc/99/93/02/343999302.db2.gz ODMVJBNCHUGKBC-QWHCGFSZSA-N 1 0 212.381 2.495 10 0 BEAERO CC[N@@H+]1CCC[C@@H](OC(F)(F)F)CC1 ZINC000616612809 349591045 /nfs/dbraw/zinc/59/10/45/349591045.db2.gz ZWGRANYNCRSMIV-MRVPVSSYSA-N 1 0 211.227 2.397 10 0 BEAERO CCOP(=O)(OCC)c1ccccc1C[NH3+] ZINC000198943739 398273386 /nfs/dbraw/zinc/27/33/86/398273386.db2.gz VSISLYYGGKIMGV-UHFFFAOYSA-N 1 0 243.243 2.037 10 0 BEAERO COC1CC([C@@H]2[NH2+]CCc3sccc32)C1 ZINC000714509901 538956744 /nfs/dbraw/zinc/95/67/44/538956744.db2.gz ZWNMBOFVVAYLHM-KWPJZBAWSA-N 1 0 223.341 2.360 10 0 BEAERO NC1=[NH+]CC[C@H](c2ccc(C(F)(F)F)s2)N1 ZINC000719142129 538959384 /nfs/dbraw/zinc/95/93/84/538959384.db2.gz ACOQKOMSWOSBFW-RXMQYKEDSA-N 1 0 249.261 2.326 10 0 BEAERO Cc1ccc2c(cccc2N2CC[NH2+][C@H](C)C2)n1 ZINC000083369689 398278152 /nfs/dbraw/zinc/27/81/52/398278152.db2.gz MYNPYFPLJSFGGY-GFCCVEGCSA-N 1 0 241.338 2.341 10 0 BEAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339508026 168380765 /nfs/dbraw/zinc/38/07/65/168380765.db2.gz OGWSDZZJFDKYJS-LLVKDONJSA-N 1 0 240.391 2.458 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)[C@H]1CCc2ccccc2C1 ZINC000005442204 342701784 /nfs/dbraw/zinc/70/17/84/342701784.db2.gz HWUHKUGQGSTAGB-LSDHHAIUSA-N 1 0 233.355 2.150 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccccn1 ZINC000037165123 538961772 /nfs/dbraw/zinc/96/17/72/538961772.db2.gz YFLUNZHRXGGYBV-SRVKXCTJSA-N 1 0 220.316 2.036 10 0 BEAERO CCN(CC(C)C)[C@@H](CC[NH3+])C(F)(F)F ZINC000037178553 538961874 /nfs/dbraw/zinc/96/18/74/538961874.db2.gz VPACBTVHXOPQRO-VIFPVBQESA-N 1 0 226.286 2.244 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000037166331 538961923 /nfs/dbraw/zinc/96/19/23/538961923.db2.gz UDKKWNMFDGYQMG-ZFWWWQNUSA-N 1 0 231.339 2.047 10 0 BEAERO CC(C)(C)O[NH+]=C(N)NCc1ccccc1 ZINC000306655641 361862187 /nfs/dbraw/zinc/86/21/87/361862187.db2.gz YOJTWVYZFSJANC-UHFFFAOYSA-N 1 0 221.304 2.031 10 0 BEAERO CNc1nc(CN2CC(C)(C)C2)cs1 ZINC000306652958 361862807 /nfs/dbraw/zinc/86/28/07/361862807.db2.gz GQELUJFCTKXFMZ-UHFFFAOYSA-N 1 0 211.334 2.027 10 0 BEAERO Brc1cc(C=C2C[NH2+]C2)co1 ZINC000306656792 361865497 /nfs/dbraw/zinc/86/54/97/361865497.db2.gz HJNOGYMDCCIPPC-UHFFFAOYSA-N 1 0 214.062 2.029 10 0 BEAERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)C ZINC000043051063 342730090 /nfs/dbraw/zinc/73/00/90/342730090.db2.gz MOOMLKPPACHIFF-KWQFWETISA-N 1 0 212.724 2.290 10 0 BEAERO CCc1ncc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000038096495 538965038 /nfs/dbraw/zinc/96/50/38/538965038.db2.gz LVQMGXSXZINYKY-JTQLQIEISA-N 1 0 240.372 2.364 10 0 BEAERO C[N@@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC000003638697 342735561 /nfs/dbraw/zinc/73/55/61/342735561.db2.gz GKNNRYJKHVPYCJ-CYBMUJFWSA-N 1 0 233.311 2.072 10 0 BEAERO O=[N+]([O-])c1ccc2ccn(C3CC[NH2+]CC3)c2c1 ZINC000145250427 342760556 /nfs/dbraw/zinc/76/05/56/342760556.db2.gz OXTAJTUFLOQTJR-UHFFFAOYSA-N 1 0 245.282 2.474 10 0 BEAERO CNC(=O)[C@H]([NH2+]C[C@@H](C)c1ccccc1)C(C)C ZINC000183664670 538967649 /nfs/dbraw/zinc/96/76/49/538967649.db2.gz APVALQYLWVRSEA-TZMCWYRMSA-N 1 0 248.370 2.150 10 0 BEAERO COc1cccc2c1C(=O)[C@]1(CCCC[NH2+]1)CC2 ZINC000146588283 342770020 /nfs/dbraw/zinc/77/00/20/342770020.db2.gz YQISCFMBRFGVIB-HNNXBMFYSA-N 1 0 245.322 2.336 10 0 BEAERO CCOC[C@@H]1C[NH2+]C[C@@H](COc2ccccc2)C1 ZINC000147201826 342774052 /nfs/dbraw/zinc/77/40/52/342774052.db2.gz VPIIFSRVINZEJQ-KBPBESRZSA-N 1 0 249.354 2.328 10 0 BEAERO CCC(CC)[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000364606895 168388596 /nfs/dbraw/zinc/38/85/96/168388596.db2.gz OYGUOGQOWNQFKI-LLVKDONJSA-N 1 0 221.348 2.224 10 0 BEAERO Oc1ccc(F)c(F)c1C1CC[NH2+]CC1 ZINC000148470692 342791389 /nfs/dbraw/zinc/79/13/89/342791389.db2.gz ITRZZWCKGYHJHS-UHFFFAOYSA-N 1 0 213.227 2.137 10 0 BEAERO CN(C)c1cc[nH+]c(Cc2ccc(O)cc2)c1 ZINC000148700895 342792291 /nfs/dbraw/zinc/79/22/91/342792291.db2.gz VVVXPQOGULUMPR-UHFFFAOYSA-N 1 0 228.295 2.444 10 0 BEAERO COC(=O)c1ccc(C[NH+]2CCCC2)c(C)c1 ZINC000148690359 342792413 /nfs/dbraw/zinc/79/24/13/342792413.db2.gz SJFAYEQHFVSYOX-UHFFFAOYSA-N 1 0 233.311 2.377 10 0 BEAERO CC[C@](C)(C[NH3+])NC(=O)OCc1ccccc1 ZINC000148983025 342792801 /nfs/dbraw/zinc/79/28/01/342792801.db2.gz DDXFSJXYUAVRKV-CYBMUJFWSA-N 1 0 236.315 2.040 10 0 BEAERO C[NH2+]C/C=C\c1cnn(Cc2ccccc2)c1 ZINC000394682197 342813867 /nfs/dbraw/zinc/81/38/67/342813867.db2.gz ZDKWVMYAESHEBZ-YVMONPNESA-N 1 0 227.311 2.164 10 0 BEAERO C[C@H]([NH3+])[C@H](c1ccsc1)N1CCCC1 ZINC000043114971 342815451 /nfs/dbraw/zinc/81/54/51/342815451.db2.gz MKAZJKMXJKZHBH-GXSJLCMTSA-N 1 0 210.346 2.232 10 0 BEAERO Oc1cccc(SC[C@@H]2CCC[NH2+]2)c1 ZINC000127053302 342819682 /nfs/dbraw/zinc/81/96/82/342819682.db2.gz OJQPYHYBGQFALL-VIFPVBQESA-N 1 0 209.314 2.236 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000378798941 538974059 /nfs/dbraw/zinc/97/40/59/538974059.db2.gz SCGAWAVYBCHGSI-XQHKEYJVSA-N 1 0 229.339 2.408 10 0 BEAERO [NH3+][C@@H](c1ccsn1)C1CCSCC1 ZINC000401488840 342827168 /nfs/dbraw/zinc/82/71/68/342827168.db2.gz WRBODNVFUUHTTP-SECBINFHSA-N 1 0 214.359 2.286 10 0 BEAERO c1ncn(Cc2ccccc2)c1[C@@H]1CC[NH2+]C1 ZINC000097007766 344004114 /nfs/dbraw/zinc/00/41/14/344004114.db2.gz ISVSTQJKBUZXQT-CYBMUJFWSA-N 1 0 227.311 2.008 10 0 BEAERO C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CCCCO1 ZINC000381448986 539000755 /nfs/dbraw/zinc/00/07/55/539000755.db2.gz GKHJAPGOTHKFSG-AAEUAGOBSA-N 1 0 220.316 2.129 10 0 BEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@]1(C)CCCO1 ZINC000381479528 539001915 /nfs/dbraw/zinc/00/19/15/539001915.db2.gz SDYKNJXDHQKEGX-RWMBFGLXSA-N 1 0 227.348 2.103 10 0 BEAERO CCN1C[C@H]([NH2+][C@H](C)c2cncs2)[C@@H](C)C1 ZINC000381542366 539003602 /nfs/dbraw/zinc/00/36/02/539003602.db2.gz IOINEUWCAHTRMP-AXFHLTTASA-N 1 0 239.388 2.134 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)CCC(C)C ZINC000193248348 539003624 /nfs/dbraw/zinc/00/36/24/539003624.db2.gz BOERQGHMNOHQRO-ZDUSSCGKSA-N 1 0 231.380 2.142 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H](C)c2cncs2)[C@@H](C)C1 ZINC000381542367 539003779 /nfs/dbraw/zinc/00/37/79/539003779.db2.gz IOINEUWCAHTRMP-DCAQKATOSA-N 1 0 239.388 2.134 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)CCC(C)C ZINC000193248329 539003829 /nfs/dbraw/zinc/00/38/29/539003829.db2.gz BOERQGHMNOHQRO-CYBMUJFWSA-N 1 0 231.380 2.142 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H](C)c2ccoc2)[C@@H](C)C1 ZINC000381778254 539006908 /nfs/dbraw/zinc/00/69/08/539006908.db2.gz XKLAYXKOVBBCQH-GVXVVHGQSA-N 1 0 222.332 2.270 10 0 BEAERO COC1(C[NH2+]CC[C@@H]2CCCO2)CCCC1 ZINC000381758459 539006950 /nfs/dbraw/zinc/00/69/50/539006950.db2.gz SUGVNFPQBQKWFT-LBPRGKRZSA-N 1 0 227.348 2.104 10 0 BEAERO C[NH2+]C[C@H](C)C(=O)CCCOCc1ccccc1 ZINC000381955756 539007985 /nfs/dbraw/zinc/00/79/85/539007985.db2.gz FCJBYGUMIVDONE-ZDUSSCGKSA-N 1 0 249.354 2.408 10 0 BEAERO CCC(CC)[C@@H](CN)[N@H+](C)CCc1ccncc1 ZINC000048259581 168399162 /nfs/dbraw/zinc/39/91/62/168399162.db2.gz VELSYDYAPLMOQR-OAHLLOKOSA-N 1 0 249.402 2.319 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CC[C@@H]1c1cscn1 ZINC000127078339 342836884 /nfs/dbraw/zinc/83/68/84/342836884.db2.gz CYBGZKKYPSAPGX-UWVGGRQHSA-N 1 0 210.346 2.492 10 0 BEAERO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000390000880 539020012 /nfs/dbraw/zinc/02/00/12/539020012.db2.gz SUKZYLFVWOIXJK-AGIUHOORSA-N 1 0 211.349 2.314 10 0 BEAERO CCC[NH2+][C@H]1CCCCCC[C@@H]1C(=O)OC ZINC000309923137 259325341 /nfs/dbraw/zinc/32/53/41/259325341.db2.gz UCRGTCFTWCJRIO-RYUDHWBXSA-N 1 0 227.348 2.498 10 0 BEAERO CCCC[NH2+][C@@H](CO)c1cccc(OC)c1 ZINC000390755974 539027388 /nfs/dbraw/zinc/02/73/88/539027388.db2.gz HMGSQDWRDXQEAL-ZDUSSCGKSA-N 1 0 223.316 2.118 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cn1 ZINC000710035565 539027680 /nfs/dbraw/zinc/02/76/80/539027680.db2.gz UXKWJZRSWXCUFJ-VIFPVBQESA-N 1 0 224.691 2.060 10 0 BEAERO [NH3+][C@H]1CCCC[C@@H]1OC(=O)N1CCCCCC1 ZINC000136511806 259324814 /nfs/dbraw/zinc/32/48/14/259324814.db2.gz DWVCFGQPMZDWMS-RYUDHWBXSA-N 1 0 240.347 2.269 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000389985031 539019136 /nfs/dbraw/zinc/01/91/36/539019136.db2.gz LPCSMYXBYGRYTN-ZYHUDNBSSA-N 1 0 209.333 2.212 10 0 BEAERO C[C@H](C[NH3+])Nc1cc(F)cc(Cl)c1 ZINC000229994616 342862849 /nfs/dbraw/zinc/86/28/49/342862849.db2.gz IYULYEXRKIULPG-ZCFIWIBFSA-N 1 0 202.660 2.238 10 0 BEAERO CCN(CC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000382053279 398303050 /nfs/dbraw/zinc/30/30/50/398303050.db2.gz NKJFBOQOBKHIHM-JTQLQIEISA-N 1 0 220.307 2.093 10 0 BEAERO CS[C@H]1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000117393728 398311297 /nfs/dbraw/zinc/31/12/97/398311297.db2.gz RWYUTHGVVSMAQF-NEPJUHHUSA-N 1 0 237.372 2.240 10 0 BEAERO C[C@@H](CC[NH2+]Cc1ccc(Cl)o1)[S@](C)=O ZINC000132554919 398306292 /nfs/dbraw/zinc/30/62/92/398306292.db2.gz GELIQLGGVLODBO-VXJOIVPMSA-N 1 0 249.763 2.180 10 0 BEAERO CN(c1nc(Cl)cs1)C1CC[NH+](C)CC1 ZINC000165103717 342875421 /nfs/dbraw/zinc/87/54/21/342875421.db2.gz KVOVNLGNQFBVSS-UHFFFAOYSA-N 1 0 245.779 2.327 10 0 BEAERO C[C@H]1CC(NOC(C)(C)C)C[C@H](C)O1 ZINC000134493017 342859094 /nfs/dbraw/zinc/85/90/94/342859094.db2.gz FLHUDVTVFCWBBI-IUCAKERBSA-N 1 0 201.310 2.262 10 0 BEAERO [NH3+][C@H]1CC=C(C(=O)c2sccc2Cl)C1 ZINC000229957683 342860345 /nfs/dbraw/zinc/86/03/45/342860345.db2.gz DLDZFYCTEBOGGC-BQBZGAKWSA-N 1 0 227.716 2.488 10 0 BEAERO CC[C@@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000036169904 342894343 /nfs/dbraw/zinc/89/43/43/342894343.db2.gz QKUZXINKXBMKQA-CHWSQXEVSA-N 1 0 212.381 2.482 10 0 BEAERO CC[C@@H]([NH3+])[C@@H]1CSc2ccccc2O1 ZINC000233893406 342895488 /nfs/dbraw/zinc/89/54/88/342895488.db2.gz JMBHWISCXJNGQH-SCZZXKLOSA-N 1 0 209.314 2.277 10 0 BEAERO Clc1csc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000165289864 342896936 /nfs/dbraw/zinc/89/69/36/342896936.db2.gz DMUOIDYXCGBWNZ-SSDOTTSWSA-N 1 0 231.752 2.208 10 0 BEAERO CC[C@@H](C)C[N@H+](C)C[C@H](N)CC(C)C ZINC000037173544 342924029 /nfs/dbraw/zinc/92/40/29/342924029.db2.gz RCZBRNSKRXWELQ-VXGBXAGGSA-N 1 0 200.370 2.338 10 0 BEAERO Nc1cc[nH+]c(NCC=C(Cl)Cl)c1 ZINC000407277486 342914505 /nfs/dbraw/zinc/91/45/05/342914505.db2.gz ZREVVYBQLBCCNN-UHFFFAOYSA-N 1 0 218.087 2.395 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccnc1 ZINC000037691479 398333966 /nfs/dbraw/zinc/33/39/66/398333966.db2.gz XEIJMLRVGCRWMA-RTXFEEFZSA-N 1 0 220.316 2.036 10 0 BEAERO C(C[C@H]1CCCO1)[NH2+]C1CCSCC1 ZINC000037988878 398335570 /nfs/dbraw/zinc/33/55/70/398335570.db2.gz VXFQKIKCMYJYNN-LLVKDONJSA-N 1 0 215.362 2.041 10 0 BEAERO CCC(CC)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158837306 398341594 /nfs/dbraw/zinc/34/15/94/398341594.db2.gz JTMQCCDPGLUWAN-AAEUAGOBSA-N 1 0 240.391 2.268 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1C ZINC000300308537 398344775 /nfs/dbraw/zinc/34/47/75/398344775.db2.gz MIDXFUSDXUQSQY-MGPQQGTHSA-N 1 0 243.391 2.190 10 0 BEAERO CCC[C@H]([NH2+]CCn1cncn1)C1CCCC1 ZINC000313415791 259335082 /nfs/dbraw/zinc/33/50/82/259335082.db2.gz KPPDERXNMMZVDH-ZDUSSCGKSA-N 1 0 236.363 2.227 10 0 BEAERO Cc1ccc(C)c(Cc2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158512 178477773 /nfs/dbraw/zinc/47/77/73/178477773.db2.gz ZZIHUHPEHXSSQE-LLVKDONJSA-N 1 0 245.326 2.339 10 0 BEAERO Cc1ccc(C)c(Cc2nnc(CCC[NH3+])o2)c1 ZINC000019733087 178479193 /nfs/dbraw/zinc/47/91/93/178479193.db2.gz ADTWHAMBBZIVGT-UHFFFAOYSA-N 1 0 245.326 2.169 10 0 BEAERO CO[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000043263645 343020375 /nfs/dbraw/zinc/02/03/75/343020375.db2.gz RXTSBKWPRHEUTI-YFKPBYRVSA-N 1 0 236.134 2.157 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262658476 534932125 /nfs/dbraw/zinc/93/21/25/534932125.db2.gz XVJSUPYPIHCXEF-UPJWGTAASA-N 1 0 238.375 2.022 10 0 BEAERO CCOc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000045946250 343013194 /nfs/dbraw/zinc/01/31/94/343013194.db2.gz KDBILNRMLMVGGY-UHFFFAOYSA-N 1 0 245.326 2.141 10 0 BEAERO CC(C)(C)[C@@H](C[NH3+])n1cc(Br)cn1 ZINC000043294982 343037950 /nfs/dbraw/zinc/03/79/50/343037950.db2.gz HJYAFPIKNQZICG-MRVPVSSYSA-N 1 0 246.152 2.192 10 0 BEAERO [NH3+]C[C@@H](OCc1ccccc1)c1ccncc1 ZINC000043355066 343055781 /nfs/dbraw/zinc/05/57/81/343055781.db2.gz YUYVNEYWUCFKDG-CQSZACIVSA-N 1 0 228.295 2.298 10 0 BEAERO Cc1cccc(NCC[C@@H]2CCCO2)[nH+]1 ZINC000038097439 343063094 /nfs/dbraw/zinc/06/30/94/343063094.db2.gz JDVXCFNNIHYDQV-NSHDSACASA-N 1 0 206.289 2.371 10 0 BEAERO C[C@@H](O)CC[NH2+][C@H](C)Cc1ccsc1 ZINC000119003550 343065448 /nfs/dbraw/zinc/06/54/48/343065448.db2.gz UTGRKRDAOUNQRP-NXEZZACHSA-N 1 0 213.346 2.040 10 0 BEAERO CC(=O)Nc1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000072201859 343068598 /nfs/dbraw/zinc/06/85/98/343068598.db2.gz RPFLVYPXWSFWID-LBPRGKRZSA-N 1 0 204.273 2.070 10 0 BEAERO Cc1ccc([C@@H]([NH3+])CO)c2ccccc12 ZINC000072197899 343068765 /nfs/dbraw/zinc/06/87/65/343068765.db2.gz ZUFNUADQSMXNHT-ZDUSSCGKSA-N 1 0 201.269 2.140 10 0 BEAERO Cc1c(C)c(C)c([C@@H]([NH3+])CO)c(C)c1C ZINC000072198047 343068897 /nfs/dbraw/zinc/06/88/97/343068897.db2.gz NIDOJZPGODHVAW-LBPRGKRZSA-N 1 0 207.317 2.221 10 0 BEAERO C[C@H](c1c(F)cccc1Cl)N1CC[NH2+]CC1 ZINC000309297515 343070038 /nfs/dbraw/zinc/07/00/38/343070038.db2.gz LLPCIFKZRXKMHG-SECBINFHSA-N 1 0 242.725 2.445 10 0 BEAERO CNc1c(N)c[nH+]c2ccc(OC(C)C)cc21 ZINC000584882217 343084221 /nfs/dbraw/zinc/08/42/21/343084221.db2.gz UULKHNMMPUUOSL-UHFFFAOYSA-N 1 0 231.299 2.068 10 0 BEAERO CNc1c(N)c[nH+]c2ccc(C(C)C)cc21 ZINC000584882231 343084347 /nfs/dbraw/zinc/08/43/47/343084347.db2.gz VQNDAGJJYJIFAK-UHFFFAOYSA-N 1 0 215.300 2.404 10 0 BEAERO Nc1c[nH+]c2ccc(C3CCC3)cc2c1N ZINC000584882235 343084807 /nfs/dbraw/zinc/08/48/07/343084807.db2.gz VVLZZDVWTUPYMF-UHFFFAOYSA-N 1 0 213.284 2.497 10 0 BEAERO CC[C@H]1CC[C@H](C[NH3+])N(C(=O)OC(C)(C)C)C1 ZINC000584883220 343085885 /nfs/dbraw/zinc/08/58/85/343085885.db2.gz KUIOAZRDHYMGNA-WDEREUQCSA-N 1 0 242.363 2.371 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CCCCC1 ZINC000584883491 343086206 /nfs/dbraw/zinc/08/62/06/343086206.db2.gz PZNIFQWASICYOO-UONOGXRCSA-N 1 0 243.391 2.067 10 0 BEAERO Nc1[nH+]c2c(cc1-c1cccc(F)c1)CCCN2 ZINC000584883372 343086258 /nfs/dbraw/zinc/08/62/58/343086258.db2.gz SGMJOHOGSWXHBE-UHFFFAOYSA-N 1 0 243.285 2.175 10 0 BEAERO COc1ccc(C2([NH3+])CC3(CCC3)C2)cn1 ZINC000584883550 343086733 /nfs/dbraw/zinc/08/67/33/343086733.db2.gz SJDZYSHXAIHXIZ-UHFFFAOYSA-N 1 0 218.300 2.208 10 0 BEAERO CCc1[nH+]c(N)nc(N)c1-c1ccc(C)cc1 ZINC000013472712 343089268 /nfs/dbraw/zinc/08/92/68/343089268.db2.gz BGGIEUCLTOKUIN-UHFFFAOYSA-N 1 0 228.299 2.179 10 0 BEAERO COc1cc(C2=CC[N@H+](C)CC2)ccc1O ZINC000013509481 343090839 /nfs/dbraw/zinc/09/08/39/343090839.db2.gz RSPLMRXJVVLAQG-UHFFFAOYSA-N 1 0 219.284 2.120 10 0 BEAERO CC(C)([NH3+])C(=O)c1cccc(Br)c1 ZINC000071551237 362009431 /nfs/dbraw/zinc/00/94/31/362009431.db2.gz APRIUVFFOCTLOT-UHFFFAOYSA-N 1 0 242.116 2.369 10 0 BEAERO CCn1nccc1-c1ccc(C[NH3+])cc1C ZINC000085707967 488200036 /nfs/dbraw/zinc/20/00/36/488200036.db2.gz VTMFJTXQSYOUAO-UHFFFAOYSA-N 1 0 215.300 2.337 10 0 BEAERO CCOC(CC[C@@H]1CCC[N@@H+]1C)OCC ZINC000043503210 343099698 /nfs/dbraw/zinc/09/96/98/343099698.db2.gz PETDGVBCXWGWBF-NSHDSACASA-N 1 0 215.337 2.260 10 0 BEAERO Nc1ccc2[nH+]c3c(c(N)c2c1)CCCC3 ZINC000013808489 343104556 /nfs/dbraw/zinc/10/45/56/343104556.db2.gz QJJKZOSVUGJCLY-UHFFFAOYSA-N 1 0 213.284 2.278 10 0 BEAERO COc1cccc2c1C[C@@H]([NH+](C)C)CC2 ZINC000013893729 343107325 /nfs/dbraw/zinc/10/73/25/343107325.db2.gz VKACGGQZJQUCMN-NSHDSACASA-N 1 0 205.301 2.114 10 0 BEAERO Cc1cc(O[C@@H](C)C(N)=[NH2+])ccc1Cl ZINC000043515854 343115965 /nfs/dbraw/zinc/11/59/65/343115965.db2.gz FYUZIYIIESDFDG-ZETCQYMHSA-N 1 0 212.680 2.352 10 0 BEAERO C[C@H](Oc1cccc(Br)c1)C(N)=[NH2+] ZINC000043515672 343116070 /nfs/dbraw/zinc/11/60/70/343116070.db2.gz KSVNOFHIFZIZHO-LURJTMIESA-N 1 0 243.104 2.152 10 0 BEAERO CC[NH2+][C@H]1CCc2cc(OC)ccc2C1 ZINC000039310953 343124046 /nfs/dbraw/zinc/12/40/46/343124046.db2.gz OCHFWMLDOCVCAY-LBPRGKRZSA-N 1 0 205.301 2.162 10 0 BEAERO COC(C[NH2+][C@H](C)CCc1ccccc1)OC ZINC000037566459 343144488 /nfs/dbraw/zinc/14/44/88/343144488.db2.gz RGSCCMZEPKDAME-GFCCVEGCSA-N 1 0 237.343 2.216 10 0 BEAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668112859 488205126 /nfs/dbraw/zinc/20/51/26/488205126.db2.gz ZQUXZTWKMAKLFW-VWYCJHECSA-N 1 0 227.373 2.038 10 0 BEAERO Cc1ccc(O)c(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000094574184 343156570 /nfs/dbraw/zinc/15/65/70/343156570.db2.gz DCKDPMCBXNQEIZ-LLVKDONJSA-N 1 0 248.326 2.029 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000122117663 343158272 /nfs/dbraw/zinc/15/82/72/343158272.db2.gz XXHPHVYFYKGZCC-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO Nc1cc[nH+]c(N2CCCCCCC2)c1 ZINC000043568114 343171160 /nfs/dbraw/zinc/17/11/60/343171160.db2.gz UEKOXUIAQVPDRN-UHFFFAOYSA-N 1 0 205.305 2.434 10 0 BEAERO Nc1cc[nH+]c(NCc2ccccc2F)c1 ZINC000043568417 343173025 /nfs/dbraw/zinc/17/30/25/343173025.db2.gz PNBAQVZQWSXCEJ-UHFFFAOYSA-N 1 0 217.247 2.415 10 0 BEAERO Cc1ccc(C)c([C@H]([NH3+])[C@@H]2CCOC2)c1 ZINC000048622800 178502956 /nfs/dbraw/zinc/50/29/56/178502956.db2.gz ACCWOQAAOZYOCB-DGCLKSJQSA-N 1 0 205.301 2.340 10 0 BEAERO C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)C(C)(C)C ZINC000132552668 343188583 /nfs/dbraw/zinc/18/85/83/343188583.db2.gz HMNRGZFCAGDYOW-MRVPVSSYSA-N 1 0 240.372 2.371 10 0 BEAERO O[C@@]1(c2ccccc2)CC[N@@H+]2CCC[C@@H]2C1 ZINC000133460680 343191182 /nfs/dbraw/zinc/19/11/82/343191182.db2.gz GLOIDCPMUMVZKG-KGLIPLIRSA-N 1 0 217.312 2.132 10 0 BEAERO Cc1cccc(C)c1C[NH+]1CC(O)(C2CC2)C1 ZINC000215714401 136277777 /nfs/dbraw/zinc/27/77/77/136277777.db2.gz JVFWWKYYNFLJTD-UHFFFAOYSA-N 1 0 231.339 2.260 10 0 BEAERO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccncc3)c2O1 ZINC000138953329 343250164 /nfs/dbraw/zinc/25/01/64/343250164.db2.gz WLFIQUXASWMNAE-GFCCVEGCSA-N 1 0 244.269 2.150 10 0 BEAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000035141821 343286876 /nfs/dbraw/zinc/28/68/76/343286876.db2.gz XOPRZLZPJCEUNG-ZJUUUORDSA-N 1 0 240.372 2.313 10 0 BEAERO C[C@H]1C[NH2+]CCCCN1c1ccccc1 ZINC000238469604 343257264 /nfs/dbraw/zinc/25/72/64/343257264.db2.gz SNSNEOQYPHSDBT-LBPRGKRZSA-N 1 0 204.317 2.265 10 0 BEAERO Fc1cc2c(c([C@H]3CCC[NH2+]3)c1)OCCO2 ZINC000217551402 343280020 /nfs/dbraw/zinc/28/00/20/343280020.db2.gz UXEQOXQYQOWDPN-SNVBAGLBSA-N 1 0 223.247 2.021 10 0 BEAERO CCOc1cccc(C[NH3+])c1OC(F)F ZINC000036672516 343322226 /nfs/dbraw/zinc/32/22/26/343322226.db2.gz FVVHPXBQBQMVBO-UHFFFAOYSA-N 1 0 217.215 2.145 10 0 BEAERO CCC[C@H]([NH3+])C(=O)Nc1cccc2cccnc21 ZINC000036872664 343325970 /nfs/dbraw/zinc/32/59/70/343325970.db2.gz GOQOMEXALKGMDM-NSHDSACASA-N 1 0 243.310 2.301 10 0 BEAERO Cc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])nc1 ZINC000038050612 343367970 /nfs/dbraw/zinc/36/79/70/343367970.db2.gz RLBJCCJNCPIJFA-GHMZBOCLSA-N 1 0 205.305 2.072 10 0 BEAERO C[C@@H](CO)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037258822 343341730 /nfs/dbraw/zinc/34/17/30/343341730.db2.gz YUCAVXDTIIQVIC-ZANVPECISA-N 1 0 223.291 2.247 10 0 BEAERO CCOC[C@H]1C[NH2+]C[C@@H](COc2ccccc2)C1 ZINC000147201927 343349062 /nfs/dbraw/zinc/34/90/62/343349062.db2.gz VPIIFSRVINZEJQ-KGLIPLIRSA-N 1 0 249.354 2.328 10 0 BEAERO O[C@H](CC[NH2+]Cc1ccccc1)C(F)(F)F ZINC000039187148 343386615 /nfs/dbraw/zinc/38/66/15/343386615.db2.gz GIQBAHQQZDRWHC-SNVBAGLBSA-N 1 0 233.233 2.090 10 0 BEAERO CO[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000201869903 343391661 /nfs/dbraw/zinc/39/16/61/343391661.db2.gz YPGXFZXEZBGZLM-NWDGAFQWSA-N 1 0 209.264 2.265 10 0 BEAERO CCC1(C[N@@H+]2CCCO[C@@H](C)C2)CCOCC1 ZINC000335718936 136340253 /nfs/dbraw/zinc/34/02/53/136340253.db2.gz XPRSJRIIQZTJFS-ZDUSSCGKSA-N 1 0 241.375 2.304 10 0 BEAERO Cc1ccnc(N[C@@H](C[NH3+])CC(C)C)c1 ZINC000082593100 343450303 /nfs/dbraw/zinc/45/03/03/343450303.db2.gz IFOCEXKSRYTSAV-LLVKDONJSA-N 1 0 207.321 2.175 10 0 BEAERO COc1cccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258727451 136373830 /nfs/dbraw/zinc/37/38/30/136373830.db2.gz ISIDZKAVJZXIRQ-CQSZACIVSA-N 1 0 248.370 2.254 10 0 BEAERO c1ccc2cc([C@@H]3CCOCC[NH2+]3)ncc2c1 ZINC000616661114 343532829 /nfs/dbraw/zinc/53/28/29/343532829.db2.gz WVXKQIBMRUJFSI-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc(N)c2)C1 ZINC000616661797 343533905 /nfs/dbraw/zinc/53/39/05/343533905.db2.gz YMPZONYYQYMDIT-ZDUSSCGKSA-N 1 0 234.343 2.093 10 0 BEAERO CCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175048582 534943616 /nfs/dbraw/zinc/94/36/16/534943616.db2.gz NZNLSCTXRXXHJB-STQMWFEESA-N 1 0 238.375 2.262 10 0 BEAERO CC(C)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398773337 488223850 /nfs/dbraw/zinc/22/38/50/488223850.db2.gz HYATVBPRSMDOAP-WUHRBBMRSA-N 1 0 211.349 2.124 10 0 BEAERO c1cc2c(s1)[C@@]1(CO[C@H](C3CC3)C1)[NH2+]CC2 ZINC000712523766 537789365 /nfs/dbraw/zinc/78/93/65/537789365.db2.gz SMZVVGQKYRCZRW-WCQYABFASA-N 1 0 235.352 2.288 10 0 BEAERO OC1[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCC[C@@H]12 ZINC000379699886 343599559 /nfs/dbraw/zinc/59/95/59/343599559.db2.gz FATDNWRGTCDFNX-WYUUTHIRSA-N 1 0 209.333 2.068 10 0 BEAERO C[C@H](C[NH3+])c1csc(-c2ccco2)n1 ZINC000165514710 343606702 /nfs/dbraw/zinc/60/67/02/343606702.db2.gz OBNIVWJPYACGSR-SSDOTTSWSA-N 1 0 208.286 2.465 10 0 BEAERO CCCN1CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712553196 537793048 /nfs/dbraw/zinc/79/30/48/537793048.db2.gz FYJWRSYCYZCGCU-CYBMUJFWSA-N 1 0 236.384 2.205 10 0 BEAERO COC(C)(C)C[C@@H]1[NH2+]C[C@@H](C)CS1 ZINC000234615291 343608523 /nfs/dbraw/zinc/60/85/23/343608523.db2.gz OPHADAUENBYTOI-RKDXNWHRSA-N 1 0 203.351 2.100 10 0 BEAERO CC[C@@]1(COC)[NH2+]CCc2ccsc21 ZINC000712545339 537793998 /nfs/dbraw/zinc/79/39/98/537793998.db2.gz NLXKSZZPDWBRFD-NSHDSACASA-N 1 0 211.330 2.146 10 0 BEAERO O=C1CC[N@@H+]2C[C@@H](c3ccccc3F)C[C@H]2C1 ZINC000205002063 343611018 /nfs/dbraw/zinc/61/10/18/343611018.db2.gz YDYXSUWRRBQAET-QWRGUYRKSA-N 1 0 233.286 2.347 10 0 BEAERO CCOC[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712536715 537789414 /nfs/dbraw/zinc/78/94/14/537789414.db2.gz HKINPCCPJAXLNP-NSHDSACASA-N 1 0 211.330 2.146 10 0 BEAERO Cc1nccnc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712521671 537789823 /nfs/dbraw/zinc/78/98/23/537789823.db2.gz BXYFTBZOFOFLQW-LLVKDONJSA-N 1 0 231.324 2.082 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@]1(C)CCCS1 ZINC000379855603 343640242 /nfs/dbraw/zinc/64/02/42/343640242.db2.gz BXPUATJNNSJAIJ-JQWIXIFHSA-N 1 0 231.405 2.269 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@]1(C)CCCS1 ZINC000379855601 343640422 /nfs/dbraw/zinc/64/04/22/343640422.db2.gz BXPUATJNNSJAIJ-CMPLNLGQSA-N 1 0 231.405 2.269 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]CC1=CCCCC1 ZINC000379865927 343643483 /nfs/dbraw/zinc/64/34/83/343643483.db2.gz MSDCCJRUHIRYPL-AWEZNQCLSA-N 1 0 241.375 2.254 10 0 BEAERO CC[C@@H](NC(=O)[C@@H](CC)C[NH3+])c1ccccc1 ZINC000051627454 343627519 /nfs/dbraw/zinc/62/75/19/343627519.db2.gz QVMUURRMEHGKDK-WCQYABFASA-N 1 0 234.343 2.239 10 0 BEAERO COC(C[C@]1(C)[NH2+]CCc2ccsc21)OC ZINC000712587571 537794446 /nfs/dbraw/zinc/79/44/46/537794446.db2.gz OOKUGJKLRSHQEK-LBPRGKRZSA-N 1 0 241.356 2.118 10 0 BEAERO COc1ccc(Cl)cc1N[C@H](C)C[NH3+] ZINC000234851660 343675952 /nfs/dbraw/zinc/67/59/52/343675952.db2.gz BVRVWEZPNMIEOY-SSDOTTSWSA-N 1 0 214.696 2.108 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](CC1CC1)CC2 ZINC000088023406 343693933 /nfs/dbraw/zinc/69/39/33/343693933.db2.gz QWOLKQWGBWLPBO-STQMWFEESA-N 1 0 209.333 2.023 10 0 BEAERO CCc1cccc2c3c([nH]c21)C[NH2+]CC3 ZINC000082589106 537804931 /nfs/dbraw/zinc/80/49/31/537804931.db2.gz DKGYHDTWRFMHQD-UHFFFAOYSA-N 1 0 200.285 2.376 10 0 BEAERO CC(C)CC[C@H]([NH2+]CCn1cncn1)C1CC1 ZINC000338675725 343686898 /nfs/dbraw/zinc/68/68/98/343686898.db2.gz YLWNVRMSQSOKLI-ZDUSSCGKSA-N 1 0 236.363 2.083 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2Cc3ccccc32)cnn1C ZINC000093649988 537806783 /nfs/dbraw/zinc/80/67/83/537806783.db2.gz LFYKJPSAOANEPI-ZDUSSCGKSA-N 1 0 241.338 2.158 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2Cc3ccccc32)cnn1C ZINC000093649989 537806917 /nfs/dbraw/zinc/80/69/17/537806917.db2.gz LFYKJPSAOANEPI-CYBMUJFWSA-N 1 0 241.338 2.158 10 0 BEAERO Cc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000107934966 178581688 /nfs/dbraw/zinc/58/16/88/178581688.db2.gz ZIWQJKUOGPTFBH-CQSZACIVSA-N 1 0 219.328 2.199 10 0 BEAERO CCCCN(Cc1ccccc1)C(N)=[NH2+] ZINC000036404993 343779576 /nfs/dbraw/zinc/77/95/76/343779576.db2.gz BTIHWYDNRWPSAD-UHFFFAOYSA-N 1 0 205.305 2.182 10 0 BEAERO CC(C)CN(CC(C)C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000036199907 343779730 /nfs/dbraw/zinc/77/97/30/343779730.db2.gz XOMQTXVBZMYSNO-CYBMUJFWSA-N 1 0 240.391 2.269 10 0 BEAERO CC[NH+](CC)CCCNc1cc(Cl)ncn1 ZINC000048631187 343781936 /nfs/dbraw/zinc/78/19/36/343781936.db2.gz NBASMPMJXROUFF-UHFFFAOYSA-N 1 0 242.754 2.274 10 0 BEAERO CCn1c2ncccc2nc1[C@H]([NH3+])CC(C)C ZINC000111349104 343786146 /nfs/dbraw/zinc/78/61/46/343786146.db2.gz GGURNKRKVZFNHB-SNVBAGLBSA-N 1 0 232.331 2.497 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1nccc2sccc21 ZINC000054374975 343789605 /nfs/dbraw/zinc/78/96/05/343789605.db2.gz YTSUJUNQMYPUPU-VIFPVBQESA-N 1 0 233.340 2.094 10 0 BEAERO [NH3+]CCc1cnn(CCCc2ccccc2)c1 ZINC000054740823 343789634 /nfs/dbraw/zinc/78/96/34/343789634.db2.gz BKAOATJKHKGOFG-UHFFFAOYSA-N 1 0 229.327 2.017 10 0 BEAERO Nc1cccnc1N1CCC(C(F)F)CC1 ZINC000307873941 343790203 /nfs/dbraw/zinc/79/02/03/343790203.db2.gz UYVVEUFEQJJZOV-UHFFFAOYSA-N 1 0 227.258 2.145 10 0 BEAERO [NH3+]C[C@H](F)Cc1ccc(Br)cc1 ZINC000156345354 343791431 /nfs/dbraw/zinc/79/14/31/343791431.db2.gz WPJBQHXNPIIBFF-SECBINFHSA-N 1 0 232.096 2.288 10 0 BEAERO C[C@H]([NH3+])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000204760360 343791894 /nfs/dbraw/zinc/79/18/94/343791894.db2.gz YXYQDYQALJVGBP-JTQLQIEISA-N 1 0 242.363 2.371 10 0 BEAERO Cc1sccc1C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000227880515 346970558 /nfs/dbraw/zinc/97/05/58/346970558.db2.gz BAVPEOASGQMPEC-XCBNKYQSSA-N 1 0 209.314 2.095 10 0 BEAERO CC(C)C[N@@H+]1CCOc2ccc(CO)cc2C1 ZINC000409423990 343816836 /nfs/dbraw/zinc/81/68/36/343816836.db2.gz WMWRONFGUDBYQR-UHFFFAOYSA-N 1 0 235.327 2.029 10 0 BEAERO Clc1ccc2c(c1)CCC1(C[NH2+]C1)O2 ZINC000409431765 343822985 /nfs/dbraw/zinc/82/29/85/343822985.db2.gz KSGIRVNHDYLWDQ-UHFFFAOYSA-N 1 0 209.676 2.007 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1c1ccc2c(c1)CCO2 ZINC000409432493 343824390 /nfs/dbraw/zinc/82/43/90/343824390.db2.gz OIIGXFMTFIWHGQ-GFCCVEGCSA-N 1 0 217.312 2.335 10 0 BEAERO C[NH2+]CCOc1ccccc1C(F)F ZINC000409431940 343824537 /nfs/dbraw/zinc/82/45/37/343824537.db2.gz MKMJYTDKJBBIFL-UHFFFAOYSA-N 1 0 201.216 2.222 10 0 BEAERO CCOc1cc([C@@H]2CCC[NH2+]2)ccc1O ZINC000072201951 343825249 /nfs/dbraw/zinc/82/52/49/343825249.db2.gz GGTBALFCCGIYEJ-JTQLQIEISA-N 1 0 207.273 2.215 10 0 BEAERO CC(C)(C)Cc1cc(C[NH3+])nc(C2CC2)n1 ZINC000409440658 343853026 /nfs/dbraw/zinc/85/30/26/343853026.db2.gz YFIXCXZUHISEQT-UHFFFAOYSA-N 1 0 219.332 2.401 10 0 BEAERO [NH3+]Cc1c(C2CCC2)n[nH]c1C1CCC1 ZINC000409441017 343854934 /nfs/dbraw/zinc/85/49/34/343854934.db2.gz PFAQVSDVLHROGZ-UHFFFAOYSA-N 1 0 205.305 2.403 10 0 BEAERO C[NH2+]CCOc1cccc(C(F)F)c1 ZINC000409434339 343831645 /nfs/dbraw/zinc/83/16/45/343831645.db2.gz XAUXGMUDMALCIN-UHFFFAOYSA-N 1 0 201.216 2.222 10 0 BEAERO FC1(F)[C@@H](C2CC[NH2+]CC2)C12CCC2 ZINC000409436637 343839248 /nfs/dbraw/zinc/83/92/48/343839248.db2.gz OOGQNHKLGCMQCV-VIFPVBQESA-N 1 0 201.260 2.421 10 0 BEAERO CC(C)(C)c1cc(C[NH3+])nc(C2CC2)n1 ZINC000409436990 343841918 /nfs/dbraw/zinc/84/19/18/343841918.db2.gz AUJJTWGIHRHROQ-UHFFFAOYSA-N 1 0 205.305 2.110 10 0 BEAERO C[N@@H+]1C[C@H](CO)C[C@H]1c1ccc(Cl)cc1 ZINC000409437631 343843057 /nfs/dbraw/zinc/84/30/57/343843057.db2.gz AKWHEZZITCJFAD-SKDRFNHKSA-N 1 0 225.719 2.325 10 0 BEAERO C[NH2+]Cc1c(C)[nH]nc1-c1ccsc1 ZINC000409439074 343846270 /nfs/dbraw/zinc/84/62/70/343846270.db2.gz GNEGBLOWDHISFW-UHFFFAOYSA-N 1 0 207.302 2.166 10 0 BEAERO [NH3+]CCn1nc(-c2ccsc2)cc1C1CC1 ZINC000409439265 343847100 /nfs/dbraw/zinc/84/71/00/343847100.db2.gz HUGBQOLFHXCXDR-UHFFFAOYSA-N 1 0 233.340 2.448 10 0 BEAERO c1cc(-c2ccn(C[C@@H]3CCC[NH2+]3)n2)cs1 ZINC000409439489 343847530 /nfs/dbraw/zinc/84/75/30/343847530.db2.gz IMVFKASWHARUGP-NSHDSACASA-N 1 0 233.340 2.364 10 0 BEAERO Cc1[nH]nc(-c2cccs2)c1CCC(N)=[NH2+] ZINC000409439492 343847578 /nfs/dbraw/zinc/84/75/78/343847578.db2.gz INMJFNFXSCVSKI-UHFFFAOYSA-N 1 0 234.328 2.315 10 0 BEAERO CC(C)Cn1cc(C[NH3+])c(-c2ccncc2)n1 ZINC000409437878 343849426 /nfs/dbraw/zinc/84/94/26/343849426.db2.gz JNHDAYHUTBOWMT-UHFFFAOYSA-N 1 0 230.315 2.060 10 0 BEAERO [NH3+]Cc1cc(-c2ccco2)nc(C2CC2)n1 ZINC000409438054 343849445 /nfs/dbraw/zinc/84/94/45/343849445.db2.gz JZLHIRWVTAONDR-UHFFFAOYSA-N 1 0 215.256 2.073 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H]1c1noc(C(C)(C)C)n1 ZINC000409440525 343852394 /nfs/dbraw/zinc/85/23/94/343852394.db2.gz LKIOXOHNCDVWTQ-DTWKUNHWSA-N 1 0 223.320 2.223 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC1CC(C)(C)C1 ZINC000625481835 343881543 /nfs/dbraw/zinc/88/15/43/343881543.db2.gz JSRJQDXIRBKKMC-CMPLNLGQSA-N 1 0 211.349 2.268 10 0 BEAERO [NH2+]=C(NO)C1(n2cccc2)CCCCC1 ZINC000409442564 343859027 /nfs/dbraw/zinc/85/90/27/343859027.db2.gz XANPPSNDZADIRT-UHFFFAOYSA-N 1 0 207.277 2.104 10 0 BEAERO CCc1[nH]nc(-c2cccs2)c1C[NH2+]C ZINC000409441669 343860553 /nfs/dbraw/zinc/86/05/53/343860553.db2.gz SOBHKRFSTCHQFD-UHFFFAOYSA-N 1 0 221.329 2.420 10 0 BEAERO Cc1cc(C(F)(F)F)nn1CC1CC[NH2+]CC1 ZINC000409442893 343865000 /nfs/dbraw/zinc/86/50/00/343865000.db2.gz CPJYGRCOGGERIN-UHFFFAOYSA-N 1 0 247.264 2.210 10 0 BEAERO CC(C)Cn1nc(C(F)(F)F)cc1CC[NH3+] ZINC000409442911 343865272 /nfs/dbraw/zinc/86/52/72/343865272.db2.gz CZFQKANOGMPFJF-UHFFFAOYSA-N 1 0 235.253 2.059 10 0 BEAERO CCn1nc(-c2ccccc2)cc1CC[NH3+] ZINC000409443219 343866234 /nfs/dbraw/zinc/86/62/34/343866234.db2.gz JGDVPEREQOVFQN-UHFFFAOYSA-N 1 0 215.300 2.071 10 0 BEAERO [NH3+]Cc1cc(-c2cccs2)nn1CC1CC1 ZINC000409443247 343866788 /nfs/dbraw/zinc/86/67/88/343866788.db2.gz JUXATSWUGALGBL-UHFFFAOYSA-N 1 0 233.340 2.480 10 0 BEAERO C[NH2+]Cc1cnn(C/C=C/c2ccccc2)c1 ZINC000575623305 343875502 /nfs/dbraw/zinc/87/55/02/343875502.db2.gz HIKCRBWPQFEGHY-VMPITWQZSA-N 1 0 227.311 2.316 10 0 BEAERO Cc1ccsc1[C@@H](CN)[NH+]1CCCC1 ZINC000022170197 343916467 /nfs/dbraw/zinc/91/64/67/343916467.db2.gz UKNRTWWCIVPZRC-SNVBAGLBSA-N 1 0 210.346 2.152 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2cccc(N)c2)C1 ZINC000220073964 343918073 /nfs/dbraw/zinc/91/80/73/343918073.db2.gz JMAWHWVXWMJCNU-LBPRGKRZSA-N 1 0 204.317 2.468 10 0 BEAERO CC[C@@H]([NH3+])c1ccc(OC)c(OC)c1OC ZINC000036200737 343970742 /nfs/dbraw/zinc/97/07/42/343970742.db2.gz JCCKAQKNYZUQIV-SECBINFHSA-N 1 0 225.288 2.122 10 0 BEAERO CN(C)NC1=[NH+]C=C(c2ccccc2)CS1 ZINC000072417649 343958967 /nfs/dbraw/zinc/95/89/67/343958967.db2.gz ARBASCXIFIUHIJ-UHFFFAOYSA-N 1 0 233.340 2.197 10 0 BEAERO C[NH2+][C@@H]1CCCC[C@H]1Sc1ncc[nH]1 ZINC000234427224 343965960 /nfs/dbraw/zinc/96/59/60/343965960.db2.gz BWFQPNLSSNEAQA-RKDXNWHRSA-N 1 0 211.334 2.032 10 0 BEAERO Cc1ccc(C)c(C(=O)C(C)(C)C[NH3+])c1 ZINC000220139814 344050693 /nfs/dbraw/zinc/05/06/93/344050693.db2.gz TWNBEEZHERMKQE-UHFFFAOYSA-N 1 0 205.301 2.471 10 0 BEAERO CC(C)Oc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789093 347022795 /nfs/dbraw/zinc/02/27/95/347022795.db2.gz LWVFYBKQJJRDJD-UHFFFAOYSA-N 1 0 212.680 2.411 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1C ZINC000282346706 178631695 /nfs/dbraw/zinc/63/16/95/178631695.db2.gz MNAOXMJPAFDQRU-OCCSQVGLSA-N 1 0 246.354 2.060 10 0 BEAERO Fc1ccc(Br)c2c1OCC[NH2+]C2 ZINC000126746929 344085007 /nfs/dbraw/zinc/08/50/07/344085007.db2.gz LCIIAXZAFZFGSV-UHFFFAOYSA-N 1 0 246.079 2.070 10 0 BEAERO CC1(C)C[N@H+](C2CCC2)[C@@H]1[C@H]1CCCO1 ZINC000335917418 344086766 /nfs/dbraw/zinc/08/67/66/344086766.db2.gz NWZKXCZDGQIQOO-VXGBXAGGSA-N 1 0 209.333 2.428 10 0 BEAERO O=C(Nc1cccc(F)c1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735690 344123783 /nfs/dbraw/zinc/12/37/83/344123783.db2.gz NQSWWAFHGDYZPG-HZMBPMFUSA-N 1 0 248.301 2.154 10 0 BEAERO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1F ZINC000234596668 344155318 /nfs/dbraw/zinc/15/53/18/344155318.db2.gz GFHGRXMDZWFABT-PRHODGIISA-N 1 0 237.274 2.110 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)C1CC1 ZINC000130630074 344223019 /nfs/dbraw/zinc/22/30/19/344223019.db2.gz QXYSBOCPFXSAQP-XQQFMLRXSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)C[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336662737 192069404 /nfs/dbraw/zinc/06/94/04/192069404.db2.gz KPNTXEXOCGXQSJ-QWRGUYRKSA-N 1 0 226.364 2.068 10 0 BEAERO CC1(C)CCN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000084231946 344189871 /nfs/dbraw/zinc/18/98/71/344189871.db2.gz PJHDTNJPMKQDGF-ZDUSSCGKSA-N 1 0 218.344 2.246 10 0 BEAERO C[C@H]1CCC[N@H+](C[C@@H]2CCCCC2=O)C1 ZINC000060719900 344197863 /nfs/dbraw/zinc/19/78/63/344197863.db2.gz OUWGDFAKIPYQCJ-RYUDHWBXSA-N 1 0 209.333 2.478 10 0 BEAERO Cc1cc(C(F)F)nc([C@H]2CCC[NH2+]C2)n1 ZINC000616580669 344246648 /nfs/dbraw/zinc/24/66/48/344246648.db2.gz ZYDYVMJNPLCOHH-QMMMGPOBSA-N 1 0 227.258 2.190 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2CCC1CC2 ZINC000400075532 344278538 /nfs/dbraw/zinc/27/85/38/344278538.db2.gz OCBUCINDWPHLGN-IFWUJCSASA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@H](Oc1c(C)cccc1C)C1=[NH+]CCN1 ZINC000027704190 344289545 /nfs/dbraw/zinc/28/95/45/344289545.db2.gz WPHKHVBMBVJDSQ-LBPRGKRZSA-N 1 0 232.327 2.463 10 0 BEAERO COc1cc(C[C@H](C)[NH3+])c(OC)c(C)c1C ZINC000027303975 344241530 /nfs/dbraw/zinc/24/15/30/344241530.db2.gz RBZXVDSILZXPDM-QMMMGPOBSA-N 1 0 223.316 2.210 10 0 BEAERO [NH3+]Cc1ccc(Sc2ncc[nH]2)cc1 ZINC000236205373 344318332 /nfs/dbraw/zinc/31/83/32/344318332.db2.gz BWSUAHPONIFYIO-UHFFFAOYSA-N 1 0 205.286 2.020 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CN1c1nc2ccccc2s1 ZINC000385106006 344326642 /nfs/dbraw/zinc/32/66/42/344326642.db2.gz QWDJXXMKTZDEIY-BDAKNGLRSA-N 1 0 233.340 2.222 10 0 BEAERO CC(C)(C)[NH2+]C[C@@H](O)C1=COc2ccccc2O1 ZINC000028101882 344333286 /nfs/dbraw/zinc/33/32/86/344333286.db2.gz ZGYGPFMXHNKTIY-SNVBAGLBSA-N 1 0 249.310 2.048 10 0 BEAERO Cc1[nH]c2c([nH+]1)C[C@H](C(F)(F)F)CC2 ZINC000216980014 344353810 /nfs/dbraw/zinc/35/38/10/344353810.db2.gz RAMWNNPWLYDBDE-ZCFIWIBFSA-N 1 0 204.195 2.385 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC000092677463 344301229 /nfs/dbraw/zinc/30/12/29/344301229.db2.gz SEOLVZXLRDKDDD-CQSZACIVSA-N 1 0 246.354 2.243 10 0 BEAERO CCC[C@@]1([NH3+])CCN(C(=O)OC(C)(C)C)C1 ZINC000084424030 344429229 /nfs/dbraw/zinc/42/92/29/344429229.db2.gz NHVUGCRXJOBCMC-GFCCVEGCSA-N 1 0 228.336 2.125 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN1C[C@@H]1CCCCC1(F)F ZINC000385264053 344384836 /nfs/dbraw/zinc/38/48/36/344384836.db2.gz QWCWPILJAMKASF-OUAUKWLOSA-N 1 0 232.318 2.233 10 0 BEAERO C[C@@H]1C[C@@H](c2ncc(Cl)s2)C[NH2+]1 ZINC000223275748 344395455 /nfs/dbraw/zinc/39/54/55/344395455.db2.gz VKIXPKOAUFQIFJ-PHDIDXHHSA-N 1 0 202.710 2.262 10 0 BEAERO C[C@H](CCO)C[NH2+]Cc1ccnc2ccccc12 ZINC000097439369 344396947 /nfs/dbraw/zinc/39/69/47/344396947.db2.gz AYRZMZCCTPAVLW-GFCCVEGCSA-N 1 0 244.338 2.343 10 0 BEAERO COc1cc([C@@H](F)C[NH3+])ccc1Cl ZINC000158078647 344400647 /nfs/dbraw/zinc/40/06/47/344400647.db2.gz PPIDSFKRRCDBKV-QMMMGPOBSA-N 1 0 203.644 2.318 10 0 BEAERO C[C@H](CO)S[C@H]1CCCC(C)(C)[C@@H]1[NH3+] ZINC000162869432 344445996 /nfs/dbraw/zinc/44/59/96/344445996.db2.gz ZNMLDGHSIQBJHV-KXUCPTDWSA-N 1 0 217.378 2.006 10 0 BEAERO CC(=O)Oc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000072201865 344508228 /nfs/dbraw/zinc/50/82/28/344508228.db2.gz OXCPOFLNZGEJDP-LBPRGKRZSA-N 1 0 205.257 2.036 10 0 BEAERO CC[C@@H]([NH2+]CC1CC(O)C1)C1CCCC1 ZINC000387512069 344513475 /nfs/dbraw/zinc/51/34/75/344513475.db2.gz FTHVPJLWQLJVQM-KGPNIALWSA-N 1 0 211.349 2.316 10 0 BEAERO CCCCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259075108 534962544 /nfs/dbraw/zinc/96/25/44/534962544.db2.gz OSUNDZHOSZEILU-LLVKDONJSA-N 1 0 226.364 2.153 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2cncc(Cl)n2)C1 ZINC000043538089 344527022 /nfs/dbraw/zinc/52/70/22/344527022.db2.gz BHKVPOZDNMJQDZ-VIFPVBQESA-N 1 0 240.738 2.026 10 0 BEAERO Cc1csc(C[C@@]2(F)CC[C@H]([NH3+])C2)n1 ZINC000158289563 344580436 /nfs/dbraw/zinc/58/04/36/344580436.db2.gz FOPJIOGOBXCWJJ-WCBMZHEXSA-N 1 0 214.309 2.214 10 0 BEAERO Cc1nc(C[C@]2(F)CC[C@H]([NH3+])C2)cs1 ZINC000158300306 344583129 /nfs/dbraw/zinc/58/31/29/344583129.db2.gz IIESLCDVUMRAPT-WPRPVWTQSA-N 1 0 214.309 2.214 10 0 BEAERO C[C@@H]1CCC[C@@H](n2cnc(C[NH3+])c2)[C@H]1C ZINC000300720926 537853142 /nfs/dbraw/zinc/85/31/42/537853142.db2.gz CKWOTZLRTMXXQP-JFGNBEQYSA-N 1 0 207.321 2.339 10 0 BEAERO CC[C@](F)(C[NH3+])c1cccc(F)c1F ZINC000158336309 344600590 /nfs/dbraw/zinc/60/05/90/344600590.db2.gz YUPPTQZZMAWJKP-JTQLQIEISA-N 1 0 203.207 2.498 10 0 BEAERO CC[C@@](F)(C[NH3+])c1cccc(F)c1F ZINC000158336174 344600818 /nfs/dbraw/zinc/60/08/18/344600818.db2.gz YUPPTQZZMAWJKP-SNVBAGLBSA-N 1 0 203.207 2.498 10 0 BEAERO C[C@@H]([C@@H]1[NH2+]CCc2nc[nH]c21)C(C)(C)C ZINC000400372173 537853447 /nfs/dbraw/zinc/85/34/47/537853447.db2.gz BFCJCHLLSPZVLX-WPRPVWTQSA-N 1 0 207.321 2.279 10 0 BEAERO CN(C)c1cc(C[NH3+])cc(OC(F)(F)F)c1 ZINC000396120535 344608431 /nfs/dbraw/zinc/60/84/31/344608431.db2.gz NODGGBSKUIUGSI-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO NC(=O)O[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000113415229 344660058 /nfs/dbraw/zinc/66/00/58/344660058.db2.gz MBJQWYMUCUTIND-SSDOTTSWSA-N 1 0 249.097 2.089 10 0 BEAERO Cc1ccsc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400409358 537854329 /nfs/dbraw/zinc/85/43/29/537854329.db2.gz VNLGPZLUHDDXCL-SNVBAGLBSA-N 1 0 219.313 2.015 10 0 BEAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCC1=O ZINC000050132534 344646818 /nfs/dbraw/zinc/64/68/18/344646818.db2.gz CQNKOMMUDNHTQG-GFCCVEGCSA-N 1 0 203.285 2.240 10 0 BEAERO Cn1cc[nH+]c1NCCc1ccsc1 ZINC000050606357 344719810 /nfs/dbraw/zinc/71/98/10/344719810.db2.gz JQIABDMYYQUWJV-UHFFFAOYSA-N 1 0 207.302 2.136 10 0 BEAERO CCc1nnsc1[C@H]([NH3+])C1CCCC1 ZINC000158718470 344731007 /nfs/dbraw/zinc/73/10/07/344731007.db2.gz HMFIMUFHBLANBT-SECBINFHSA-N 1 0 211.334 2.291 10 0 BEAERO CC(C)(C)[NH2+]CC(=O)c1ccc(F)cc1 ZINC000000335621 344704467 /nfs/dbraw/zinc/70/44/67/344704467.db2.gz XPUMPEPISIBJOB-UHFFFAOYSA-N 1 0 209.264 2.397 10 0 BEAERO Cc1ccc(N2CCC[NH2+]CCC2)cc1F ZINC000049664726 178713069 /nfs/dbraw/zinc/71/30/69/178713069.db2.gz NAEGOSGFLFUEBM-UHFFFAOYSA-N 1 0 222.307 2.324 10 0 BEAERO CSC(C)(C)C[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400420406 537856645 /nfs/dbraw/zinc/85/66/45/537856645.db2.gz XISVMZOSAMUQND-VIFPVBQESA-N 1 0 225.361 2.128 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@H](C)C2)cc1F ZINC000049661470 178714389 /nfs/dbraw/zinc/71/43/89/178714389.db2.gz ZBKZAHJIBXCYRZ-JTQLQIEISA-N 1 0 222.307 2.180 10 0 BEAERO CC1(C)CCC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400455508 537857065 /nfs/dbraw/zinc/85/70/65/537857065.db2.gz QFYMUAIOWPHBAJ-ZDUSSCGKSA-N 1 0 219.332 2.351 10 0 BEAERO CCCC[C@@]([NH3+])(CO)Cc1ccccc1 ZINC000118311408 344797286 /nfs/dbraw/zinc/79/72/86/344797286.db2.gz HTDZEACPLKPNFM-ZDUSSCGKSA-N 1 0 207.317 2.109 10 0 BEAERO Cc1cc([C@@H]2[NH2+]CCc3nc[nH]c32)c(C)s1 ZINC000400662194 537864327 /nfs/dbraw/zinc/86/43/27/537864327.db2.gz SLTNGGFSEPBLHX-NSHDSACASA-N 1 0 233.340 2.323 10 0 BEAERO C[C@H]1CCC[NH2+][C@@H]1CCNC(=O)OC(C)(C)C ZINC000307728859 344851179 /nfs/dbraw/zinc/85/11/79/344851179.db2.gz ICACCNRRVDAXDM-WDEREUQCSA-N 1 0 242.363 2.289 10 0 BEAERO [NH3+]C[C@H](F)Cc1cc(F)ccc1Cl ZINC000166306059 344852032 /nfs/dbraw/zinc/85/20/32/344852032.db2.gz HAKSQSKNGHXBGM-MRVPVSSYSA-N 1 0 205.635 2.318 10 0 BEAERO CCCNc1ncc(Br)cc1C[NH3+] ZINC000166329542 344858217 /nfs/dbraw/zinc/85/82/17/344858217.db2.gz WJEOWYARMZAKIZ-UHFFFAOYSA-N 1 0 244.136 2.125 10 0 BEAERO C[C@@H]1SCC[C@@]12[NH2+]CC[C@@H](C)S2 ZINC000235321650 344886886 /nfs/dbraw/zinc/88/68/86/344886886.db2.gz RFAIRHLRQXDYIU-VGMNWLOBSA-N 1 0 203.376 2.323 10 0 BEAERO CC(C)(C)Sc1cnccc1C(N)=[NH2+] ZINC000135782625 344889460 /nfs/dbraw/zinc/88/94/60/344889460.db2.gz USIRJVVFCKUEIN-UHFFFAOYSA-N 1 0 209.318 2.256 10 0 BEAERO C[C@H](C[NH3+])Nc1ccc(F)c(Cl)c1 ZINC000235467392 344920866 /nfs/dbraw/zinc/92/08/66/344920866.db2.gz ADWARXWTUUVXHI-ZCFIWIBFSA-N 1 0 202.660 2.238 10 0 BEAERO C[C@H]1OCC[C@H]1SC1CCC([NH3+])CC1 ZINC000235634901 344960895 /nfs/dbraw/zinc/96/08/95/344960895.db2.gz PYPBRUYRGPVQOY-AGVGLQIMSA-N 1 0 215.362 2.167 10 0 BEAERO C[C@@H]1CCS[C@H]([C@@H]2CCSC2)[NH2+]1 ZINC000224675421 344966238 /nfs/dbraw/zinc/96/62/38/344966238.db2.gz LQLIJEPBHNYBSU-IWSPIJDZSA-N 1 0 203.376 2.181 10 0 BEAERO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)C(C)(C)C ZINC000122709474 344970777 /nfs/dbraw/zinc/97/07/77/344970777.db2.gz GOPWHDWYLVOWOF-SNVBAGLBSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)(C)Oc1ccc([C@@H]([NH3+])CCO)cc1 ZINC000044236213 344987300 /nfs/dbraw/zinc/98/73/00/344987300.db2.gz XBKAHVOOSBNRFZ-LBPRGKRZSA-N 1 0 223.316 2.246 10 0 BEAERO [NH3+][C@H](CCO)c1c(F)cccc1C(F)(F)F ZINC000044233024 344988493 /nfs/dbraw/zinc/98/84/93/344988493.db2.gz AORJHECBDUIXKH-MRVPVSSYSA-N 1 0 237.196 2.227 10 0 BEAERO [NH3+][C@@H](CCO)c1cc(Cl)ccc1Cl ZINC000044233275 344989152 /nfs/dbraw/zinc/98/91/52/344989152.db2.gz WCGWYAUSIHNSOJ-VIFPVBQESA-N 1 0 220.099 2.376 10 0 BEAERO CCC(CC)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000153880932 344991938 /nfs/dbraw/zinc/99/19/38/344991938.db2.gz DRZIMIACRSGDHI-CYBMUJFWSA-N 1 0 242.407 2.075 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccco1 ZINC000123364285 344997387 /nfs/dbraw/zinc/99/73/87/344997387.db2.gz ZHALJMIQFZUDQR-GFCCVEGCSA-N 1 0 222.332 2.196 10 0 BEAERO Cn1cccc1[C@@H]([NH3+])Cc1ccccc1 ZINC000011848711 345031172 /nfs/dbraw/zinc/03/11/72/345031172.db2.gz SJNNOJRIZZJYRY-LBPRGKRZSA-N 1 0 200.285 2.268 10 0 BEAERO Cc1ccc(OCCO[C@H](C)C[NH3+])c(C)c1 ZINC000074527834 178812240 /nfs/dbraw/zinc/81/22/40/178812240.db2.gz IXHKOUHRBWUPKH-GFCCVEGCSA-N 1 0 223.316 2.046 10 0 BEAERO CCCC[C@H](CC)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232981175 534984896 /nfs/dbraw/zinc/98/48/96/534984896.db2.gz PFNZYSGBBYDIEN-WOPDTQHZSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H](c1nccs1)N1CCCC[C@H]1C[NH3+] ZINC000248090037 345036758 /nfs/dbraw/zinc/03/67/58/345036758.db2.gz VBJYGKSEGANREG-ZJUUUORDSA-N 1 0 225.361 2.017 10 0 BEAERO C[C@@H](c1nccs1)N1CCCC[C@H]1C[NH3+] ZINC000248090035 345036920 /nfs/dbraw/zinc/03/69/20/345036920.db2.gz VBJYGKSEGANREG-UWVGGRQHSA-N 1 0 225.361 2.017 10 0 BEAERO Clc1cc([C@@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000238548831 345074898 /nfs/dbraw/zinc/07/48/98/345074898.db2.gz GVWHDLBTKFIRKX-ZCFIWIBFSA-N 1 0 217.099 2.465 10 0 BEAERO CCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155364385 345077121 /nfs/dbraw/zinc/07/71/21/345077121.db2.gz KPNANEFQAQQMBJ-RWMBFGLXSA-N 1 0 240.391 2.268 10 0 BEAERO Fc1cc(Br)cc(F)c1C1C[NH2+]C1 ZINC000238569888 345079629 /nfs/dbraw/zinc/07/96/29/345079629.db2.gz NGIMMVZMKDZCQN-UHFFFAOYSA-N 1 0 248.070 2.414 10 0 BEAERO N[C@@H](C[NH3+])c1ccccc1OCc1ccccc1 ZINC000044468995 345085125 /nfs/dbraw/zinc/08/51/25/345085125.db2.gz CADMDHLGOQJMJH-AWEZNQCLSA-N 1 0 242.322 2.224 10 0 BEAERO COc1cccnc1NC[C@H]1CCCC[C@H]1O ZINC000128126996 345116162 /nfs/dbraw/zinc/11/61/62/345116162.db2.gz CYHZLSDIVVZIGC-GHMZBOCLSA-N 1 0 236.315 2.053 10 0 BEAERO c1cc(C[NH2+]C2CCC2)cc2c1OCO2 ZINC000044480273 345092425 /nfs/dbraw/zinc/09/24/25/345092425.db2.gz LZVQOHUGSULAGR-UHFFFAOYSA-N 1 0 205.257 2.057 10 0 BEAERO CCCCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155659524 345094935 /nfs/dbraw/zinc/09/49/35/345094935.db2.gz SGIDSTHMMUDVOD-QWHCGFSZSA-N 1 0 240.391 2.412 10 0 BEAERO [NH3+][C@H](CF)c1cc2c(cc1Cl)OCO2 ZINC000238685754 345109085 /nfs/dbraw/zinc/10/90/85/345109085.db2.gz SZFJFRPZGRTNRS-SSDOTTSWSA-N 1 0 217.627 2.038 10 0 BEAERO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)C1(C)CC1 ZINC000126967545 345149376 /nfs/dbraw/zinc/14/93/76/345149376.db2.gz CGYCOVRJOWUVNO-SNVBAGLBSA-N 1 0 232.327 2.064 10 0 BEAERO C[C@@H]1CCN1c1ccncc1Br ZINC000126992495 345150359 /nfs/dbraw/zinc/15/03/59/345150359.db2.gz KXXYMEOXHDEBMD-SSDOTTSWSA-N 1 0 227.105 2.443 10 0 BEAERO Cc1ccc(F)c([C@@H]2C[C@H]([NH3+])CCN2C)c1 ZINC000675054093 537891357 /nfs/dbraw/zinc/89/13/57/537891357.db2.gz LPOZPQDTMCCVBX-MFKMUULPSA-N 1 0 222.307 2.228 10 0 BEAERO COC[C@H]([NH2+]CCCCSC)C(C)C ZINC000133695187 192087547 /nfs/dbraw/zinc/08/75/47/192087547.db2.gz IFMNHYZTPQHCLJ-NSHDSACASA-N 1 0 219.394 2.390 10 0 BEAERO c1cnc2cccc([C@@]34C[C@@H]3C[NH2+]C4)c2c1 ZINC000147313416 345370506 /nfs/dbraw/zinc/37/05/06/345370506.db2.gz DSRNRFDUYZGFKM-QMTHXVAHSA-N 1 0 210.280 2.096 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCCC2(CC2)CC1 ZINC000626115039 345327041 /nfs/dbraw/zinc/32/70/41/345327041.db2.gz DKGLCGCWYXYTCW-VXGBXAGGSA-N 1 0 209.333 2.166 10 0 BEAERO CCc1csc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000335658607 345452775 /nfs/dbraw/zinc/45/27/75/345452775.db2.gz VFOMACIVDQIIDY-SCZZXKLOSA-N 1 0 225.361 2.115 10 0 BEAERO CC(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000251374062 345493976 /nfs/dbraw/zinc/49/39/76/345493976.db2.gz GMILKAIXHXFOEF-UONOGXRCSA-N 1 0 218.344 2.102 10 0 BEAERO Cc1ccc([C@@H](O)[C@H]2CCCC[NH2+]2)cc1 ZINC000041213758 178868830 /nfs/dbraw/zinc/86/88/30/178868830.db2.gz AENPYXBJSZERPT-CHWSQXEVSA-N 1 0 205.301 2.171 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000136119998 345478885 /nfs/dbraw/zinc/47/88/85/345478885.db2.gz JHRRTNZZVDHOOE-RWMBFGLXSA-N 1 0 238.375 2.166 10 0 BEAERO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000381363035 345536014 /nfs/dbraw/zinc/53/60/14/345536014.db2.gz DLWXAHGYWLUPQN-FRRDWIJNSA-N 1 0 231.355 2.369 10 0 BEAERO COc1cc(F)cc(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000090972463 345578130 /nfs/dbraw/zinc/57/81/30/345578130.db2.gz NXJDRRJQMISCNV-ZANVPECISA-N 1 0 239.290 2.101 10 0 BEAERO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2CO)C[C@@H]1C ZINC000378768474 345560661 /nfs/dbraw/zinc/56/06/61/345560661.db2.gz DSPQMTSHFUTEJU-HTVCTNPSSA-N 1 0 225.376 2.418 10 0 BEAERO Cc1ncccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000092785336 345643364 /nfs/dbraw/zinc/64/33/64/345643364.db2.gz UUNXMUKAWLVFPZ-AWEZNQCLSA-N 1 0 234.343 2.127 10 0 BEAERO Cc1ccc([C@H]([NH3+])Cn2ccccc2=O)c(C)c1 ZINC000022566015 178907985 /nfs/dbraw/zinc/90/79/85/178907985.db2.gz NMCNHMSQNNCDSQ-CQSZACIVSA-N 1 0 242.322 2.165 10 0 BEAERO Cc1ccc([C@H](CC[NH3+])C(=O)NCC(C)C)cc1 ZINC000076634111 178902156 /nfs/dbraw/zinc/90/21/56/178902156.db2.gz GVUABVQUUNIXCB-AWEZNQCLSA-N 1 0 248.370 2.200 10 0 BEAERO [NH3+]CCCC(=O)CCCOCc1ccccc1 ZINC000306149286 537908262 /nfs/dbraw/zinc/90/82/62/537908262.db2.gz AFNKFXIDVIMUPT-UHFFFAOYSA-N 1 0 235.327 2.291 10 0 BEAERO C[C@H](C[NH3+])Nc1ccc2ccc(F)cc2n1 ZINC000212275761 345726484 /nfs/dbraw/zinc/72/64/84/345726484.db2.gz OSUBSKOLKZWIJD-MRVPVSSYSA-N 1 0 219.263 2.133 10 0 BEAERO CC(C)(C)c1ccc(OC[C@H]2C[NH+]=C(N)O2)cc1 ZINC000034338307 345821528 /nfs/dbraw/zinc/82/15/28/345821528.db2.gz XBAKLHVTBQUKPI-GFCCVEGCSA-N 1 0 248.326 2.076 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH3+])c1cccnc1CO2 ZINC000167590762 345794215 /nfs/dbraw/zinc/79/42/15/345794215.db2.gz AEGWOKLUIJHABT-AWEZNQCLSA-N 1 0 242.278 2.031 10 0 BEAERO NC(=[NH2+])[C@@H](O[C@@H]1CCCCO1)c1ccccc1 ZINC000034361502 345822291 /nfs/dbraw/zinc/82/22/91/345822291.db2.gz YCRRNSOBYPJWGY-NEPJUHHUSA-N 1 0 234.299 2.207 10 0 BEAERO CCCC(=O)N(CCC[NH3+])c1ccccc1C ZINC000020232455 168535556 /nfs/dbraw/zinc/53/55/56/168535556.db2.gz JQWCGWUEUKMDST-UHFFFAOYSA-N 1 0 234.343 2.477 10 0 BEAERO COCOc1cc(C[NH3+])ccc1-c1ccoc1 ZINC000140885861 345858438 /nfs/dbraw/zinc/85/84/38/345858438.db2.gz YIPZQVMKCINPNS-UHFFFAOYSA-N 1 0 233.267 2.388 10 0 BEAERO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccoc3)c2O1 ZINC000141169537 345859475 /nfs/dbraw/zinc/85/94/75/345859475.db2.gz VTICPXRZUGBMPZ-LLVKDONJSA-N 1 0 233.242 2.348 10 0 BEAERO NC[C@H]([NH3+])CC1=Cc2c(Cl)cccc2CC1 ZINC000141263291 345860173 /nfs/dbraw/zinc/86/01/73/345860173.db2.gz FVZGZMMVAJIXCC-LLVKDONJSA-N 1 0 236.746 2.346 10 0 BEAERO Nc1ccc2ccn(CC[NH+]3CCCC3)c2c1 ZINC000034511024 345830313 /nfs/dbraw/zinc/83/03/13/345830313.db2.gz BNINMWBAJDBFRM-UHFFFAOYSA-N 1 0 229.327 2.319 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]1[NH3+] ZINC000306821906 537918704 /nfs/dbraw/zinc/91/87/04/537918704.db2.gz LYIRMCGGGSNXAJ-OUAUKWLOSA-N 1 0 240.347 2.123 10 0 BEAERO Cc1ccc([S@](=O)C[C@@H]2CC[NH2+]C2)cc1C ZINC000083295301 178934325 /nfs/dbraw/zinc/93/43/25/178934325.db2.gz HDLVXIIPMIMIFC-WBMJQRKESA-N 1 0 237.368 2.021 10 0 BEAERO C[C@H](c1cccs1)[N@@H+]1CC[C@H](CO)C1 ZINC000082945846 345913483 /nfs/dbraw/zinc/91/34/83/345913483.db2.gz KNESTDLOKWBUDX-ZJUUUORDSA-N 1 0 211.330 2.123 10 0 BEAERO CC[C@@H](C)Nc1cc(N)[nH+]c(C2CC2)n1 ZINC000087908932 345939954 /nfs/dbraw/zinc/93/99/54/345939954.db2.gz DBVPVXBSBLIVKP-SSDOTTSWSA-N 1 0 206.293 2.147 10 0 BEAERO Cc1nc(NC2CCCCC2)cc(N)[nH+]1 ZINC000087806597 345941865 /nfs/dbraw/zinc/94/18/65/345941865.db2.gz VVYDALIRQBKSMA-UHFFFAOYSA-N 1 0 206.293 2.112 10 0 BEAERO CC[C@H]1CCCCN1c1cc(N)[nH+]c(C)n1 ZINC000087808995 345941878 /nfs/dbraw/zinc/94/18/78/345941878.db2.gz WDSYJVMLNQJBKM-JTQLQIEISA-N 1 0 220.320 2.136 10 0 BEAERO Cc1nc(NCc2cccs2)cc(N)[nH+]1 ZINC000087808666 345942415 /nfs/dbraw/zinc/94/24/15/345942415.db2.gz DXTPVDVBMPGKBD-UHFFFAOYSA-N 1 0 220.301 2.041 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@H]2[C@@H]1CCCO1 ZINC000307642587 537924516 /nfs/dbraw/zinc/92/45/16/537924516.db2.gz MCDOPERHCKBCMQ-GXSJLCMTSA-N 1 0 209.314 2.114 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@@H]1CCCO1 ZINC000307642590 537924547 /nfs/dbraw/zinc/92/45/47/537924547.db2.gz MCDOPERHCKBCMQ-ONGXEEELSA-N 1 0 209.314 2.114 10 0 BEAERO COCCC1(C[NH2+]CC(C)C)CCOCC1 ZINC000061674545 537935541 /nfs/dbraw/zinc/93/55/41/537935541.db2.gz QXAOXGVOVJGCGF-UHFFFAOYSA-N 1 0 229.364 2.065 10 0 BEAERO CC[NH+](CC)CCOCn1cnc2ccccc21 ZINC000001852246 346079308 /nfs/dbraw/zinc/07/93/08/346079308.db2.gz ZUHPCANRBBHPRK-UHFFFAOYSA-N 1 0 247.342 2.352 10 0 BEAERO C[C@H]1Oc2cc(F)c(Br)cc2[C@H]1[NH3+] ZINC000148400630 346087624 /nfs/dbraw/zinc/08/76/24/346087624.db2.gz FPSKEIWZXGUYPV-MOFOKWOHSA-N 1 0 246.079 2.369 10 0 BEAERO CCCc1nc(Cl)c(C)c(NN(C)C)[nH+]1 ZINC000149618044 346133174 /nfs/dbraw/zinc/13/31/74/346133174.db2.gz XHPIVQGNJACXBN-UHFFFAOYSA-N 1 0 228.727 2.279 10 0 BEAERO Cc1coc(S[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000235942343 346173641 /nfs/dbraw/zinc/17/36/41/346173641.db2.gz CUVHQAZILXJCSD-IUCAKERBSA-N 1 0 212.318 2.345 10 0 BEAERO Cc1cccc(-c2nc(C)cc(C[NH3+])n2)c1 ZINC000020383562 178995577 /nfs/dbraw/zinc/99/55/77/178995577.db2.gz QKMUOQFSOBCIIQ-UHFFFAOYSA-N 1 0 213.284 2.219 10 0 BEAERO Cc1cccc(C(=O)N(C)[C@@H]2CCC[NH2+]C2)c1C ZINC000037541006 179005609 /nfs/dbraw/zinc/00/56/09/179005609.db2.gz WPHZYIYKBKAMEU-CYBMUJFWSA-N 1 0 246.354 2.127 10 0 BEAERO FCCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034191896 346222005 /nfs/dbraw/zinc/22/20/05/346222005.db2.gz RGCIBHZTGYXCKV-AWEZNQCLSA-N 1 0 236.334 2.068 10 0 BEAERO Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000051573008 179017169 /nfs/dbraw/zinc/01/71/69/179017169.db2.gz FUAQBNQJPGYHML-OCCSQVGLSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1C ZINC000038048673 179024265 /nfs/dbraw/zinc/02/42/65/179024265.db2.gz SPMXWGXAZDUCPG-KBPBESRZSA-N 1 0 246.354 2.303 10 0 BEAERO Cc1cccc(C(=O)NC[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000062036677 179018870 /nfs/dbraw/zinc/01/88/70/179018870.db2.gz HZSNHEUOAGGKIY-QWHCGFSZSA-N 1 0 246.354 2.113 10 0 BEAERO Cc1cccc(C(=O)N[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000035689905 179021146 /nfs/dbraw/zinc/02/11/46/179021146.db2.gz OQLHSEKXQZPGMJ-LBPRGKRZSA-N 1 0 246.354 2.113 10 0 BEAERO Cc1cccc(C)c1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282062020 179036863 /nfs/dbraw/zinc/03/68/63/179036863.db2.gz BNNBJPRSRWEPKP-TZMCWYRMSA-N 1 0 246.354 2.060 10 0 BEAERO Cc1cccc(C)c1N(C)C(=O)C[C@@H](C)[NH3+] ZINC000169315832 179038554 /nfs/dbraw/zinc/03/85/54/179038554.db2.gz JCTKLCJWXAKPFE-LLVKDONJSA-N 1 0 220.316 2.004 10 0 BEAERO Cc1cccc(C)c1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000013814044 179038832 /nfs/dbraw/zinc/03/88/32/179038832.db2.gz BWPSXOJXEOQCHP-GFCCVEGCSA-N 1 0 232.327 2.018 10 0 BEAERO O[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000381553177 346334786 /nfs/dbraw/zinc/33/47/86/346334786.db2.gz NNSZCHMOVFQAMB-FDYHWXHSSA-N 1 0 229.339 2.408 10 0 BEAERO Cc1cccc(C)c1OCCO[C@@H](C)C[NH3+] ZINC000074527814 179045939 /nfs/dbraw/zinc/04/59/39/179045939.db2.gz JKOQNHVEGIXIOZ-LBPRGKRZSA-N 1 0 223.316 2.046 10 0 BEAERO Cc1cccc(CC[NH2+]Cc2cncnc2)c1 ZINC000054768224 179058118 /nfs/dbraw/zinc/05/81/18/179058118.db2.gz ORBVDSSCNPSJAO-UHFFFAOYSA-N 1 0 227.311 2.117 10 0 BEAERO Cc1sccc1[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000227792484 346340342 /nfs/dbraw/zinc/34/03/42/346340342.db2.gz KTVRVIBNBKLCJV-ONGXEEELSA-N 1 0 211.330 2.483 10 0 BEAERO CC(C)[C@@](C)(CO)[NH2+]Cc1cccs1 ZINC000052884023 346387417 /nfs/dbraw/zinc/38/74/17/346387417.db2.gz JXPGUADLMNOELR-LLVKDONJSA-N 1 0 213.346 2.245 10 0 BEAERO CC(C)[C@](C)(CO)[NH2+]Cc1cccs1 ZINC000052884024 346387439 /nfs/dbraw/zinc/38/74/39/346387439.db2.gz JXPGUADLMNOELR-NSHDSACASA-N 1 0 213.346 2.245 10 0 BEAERO C[N@@H+]1Cc2ccc(NC[C@H](O)C(C)(C)C)cc2C1 ZINC000574912378 346410407 /nfs/dbraw/zinc/41/04/07/346410407.db2.gz AFEPNULPNDYEKH-AWEZNQCLSA-N 1 0 248.370 2.451 10 0 BEAERO Cc1cccc(CN(C)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000042435798 179070329 /nfs/dbraw/zinc/07/03/29/179070329.db2.gz WLGSAKAVVYKTJK-VXGBXAGGSA-N 1 0 206.333 2.163 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CC1 ZINC000641790186 362725012 /nfs/dbraw/zinc/72/50/12/362725012.db2.gz UYKVQCNBNLONJY-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO Cc1cccc(C[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000107935416 179078640 /nfs/dbraw/zinc/07/86/40/179078640.db2.gz LOGSCLUNSQFVNH-ZDUSSCGKSA-N 1 0 219.328 2.199 10 0 BEAERO Cc1cccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000072397525 179083619 /nfs/dbraw/zinc/08/36/19/179083619.db2.gz SAMMNJWOFUJVTN-DZGCQCFKSA-N 1 0 245.370 2.059 10 0 BEAERO COc1nsc(OC)c1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000669379508 537978953 /nfs/dbraw/zinc/97/89/53/537978953.db2.gz FBGGNBSDNNWXJW-JGVFFNPUSA-N 1 0 242.344 2.016 10 0 BEAERO Cc1cccc(CNC2=[NH+]CCS2)c1 ZINC000013476052 179089000 /nfs/dbraw/zinc/08/90/00/179089000.db2.gz VNUNADYTNIACIA-UHFFFAOYSA-N 1 0 206.314 2.187 10 0 BEAERO Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000084224754 179094437 /nfs/dbraw/zinc/09/44/37/179094437.db2.gz ZOASNKWQJIDUMK-ZIAGYGMSSA-N 1 0 219.328 2.246 10 0 BEAERO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)CO)c1 ZINC000123186513 179096460 /nfs/dbraw/zinc/09/64/60/179096460.db2.gz YODASVRVBOEVSM-NEPJUHHUSA-N 1 0 207.317 2.102 10 0 BEAERO Cc1cccc(C[C@@H]([NH3+])[C@H]2CCCOC2)c1 ZINC000062237905 179104322 /nfs/dbraw/zinc/10/43/22/179104322.db2.gz LJKJEHQMKXPCDX-UONOGXRCSA-N 1 0 219.328 2.291 10 0 BEAERO Cc1cccc(Cn2cccc2CC[NH3+])c1 ZINC000071519074 179110149 /nfs/dbraw/zinc/11/01/49/179110149.db2.gz ISNUNGZUXXNRIY-UHFFFAOYSA-N 1 0 214.312 2.346 10 0 BEAERO Cc1cccc(N(C)[C@H]2CCC[NH2+]C2)c1 ZINC000049986731 179117587 /nfs/dbraw/zinc/11/75/87/179117587.db2.gz YOIIEFFCNFQCHM-ZDUSSCGKSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1cccc(N(C)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000049986355 179117899 /nfs/dbraw/zinc/11/78/99/179117899.db2.gz LVCHYPBFHDOOQI-STQMWFEESA-N 1 0 204.317 2.311 10 0 BEAERO CCN(CCC[NH3+])c1cc(C)cc(C)c1 ZINC000020239397 259391998 /nfs/dbraw/zinc/39/19/98/259391998.db2.gz WUZILZKDJXEIDS-UHFFFAOYSA-N 1 0 206.333 2.479 10 0 BEAERO Cc1cccc(N2CCC[C@@H]2CC[NH3+])c1 ZINC000082380091 179121470 /nfs/dbraw/zinc/12/14/70/179121470.db2.gz ORZACYJDJPLERI-GFCCVEGCSA-N 1 0 204.317 2.313 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1cccc(Br)c1 ZINC000164020031 346586717 /nfs/dbraw/zinc/58/67/17/346586717.db2.gz YUYJQZJUGOEERG-SSDOTTSWSA-N 1 0 242.116 2.369 10 0 BEAERO Cc1cc(F)c(C(=O)C[C@@H](C)[NH3+])cc1F ZINC000164045963 346588035 /nfs/dbraw/zinc/58/80/35/346588035.db2.gz WOBHJMDLNCJLTQ-SSDOTTSWSA-N 1 0 213.227 2.193 10 0 BEAERO CC(C)[NH+](Cc1nc(CO)cs1)C(C)C ZINC000669380157 537984634 /nfs/dbraw/zinc/98/46/34/537984634.db2.gz RXQWVHOUTWIRQV-UHFFFAOYSA-N 1 0 228.361 2.254 10 0 BEAERO CC[C@H]1CN(c2nc(Cl)cs2)CC[N@@H+]1C ZINC000165190241 346645459 /nfs/dbraw/zinc/64/54/59/346645459.db2.gz VYZGDTIIAUVXLM-QMMMGPOBSA-N 1 0 245.779 2.327 10 0 BEAERO C[C@@H]1CCCC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000187910501 346648802 /nfs/dbraw/zinc/64/88/02/346648802.db2.gz PGDKPKUMLWVIAL-LLVKDONJSA-N 1 0 248.374 2.315 10 0 BEAERO Cc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049856 179136346 /nfs/dbraw/zinc/13/63/46/179136346.db2.gz DIEIKIRLBHGUNQ-STQMWFEESA-N 1 0 247.342 2.386 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000019488085 179138982 /nfs/dbraw/zinc/13/89/82/179138982.db2.gz ARBOOHRKBAEREK-AAEUAGOBSA-N 1 0 232.327 2.464 10 0 BEAERO C[C@H]([NH2+]Cc1[nH]nc2ccccc21)[C@H]1CCCO1 ZINC000589641338 346721925 /nfs/dbraw/zinc/72/19/25/346721925.db2.gz NKSYFBKULBVPBK-IINYFYTJSA-N 1 0 245.326 2.220 10 0 BEAERO CC(C)(C)CNC(=O)CCc1ccc(C[NH3+])cc1 ZINC000167994168 346723822 /nfs/dbraw/zinc/72/38/22/346723822.db2.gz RXXCUPUIYOYCDD-UHFFFAOYSA-N 1 0 248.370 2.240 10 0 BEAERO C[C@]1(C(=O)c2ccsc2)CCC[C@H]1[NH3+] ZINC000226835115 346696964 /nfs/dbraw/zinc/69/69/64/346696964.db2.gz DSIOQBZZUWVVKA-KOLCDFICSA-N 1 0 209.314 2.448 10 0 BEAERO C[C@@]1(C(=O)c2ccsc2)CCC[C@@H]1[NH3+] ZINC000226835104 346697005 /nfs/dbraw/zinc/69/70/05/346697005.db2.gz DSIOQBZZUWVVKA-GXSJLCMTSA-N 1 0 209.314 2.448 10 0 BEAERO CCC[NH2+]Cc1sncc1Br ZINC000669380169 537986069 /nfs/dbraw/zinc/98/60/69/537986069.db2.gz SQTXXLZKWGRTHT-UHFFFAOYSA-N 1 0 235.150 2.405 10 0 BEAERO Cc1cccc(N[C@@]2(CO)CC[N@@H+](C3CC3)C2)c1 ZINC000061992125 179156604 /nfs/dbraw/zinc/15/66/04/179156604.db2.gz CGVHFAODEATQMM-HNNXBMFYSA-N 1 0 246.354 2.006 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+][C@H](C)C(C)C ZINC000127523243 133644239 /nfs/dbraw/zinc/64/42/39/133644239.db2.gz ZSNXBKBUDMUAAQ-VXGBXAGGSA-N 1 0 200.370 2.351 10 0 BEAERO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000378676015 346803019 /nfs/dbraw/zinc/80/30/19/346803019.db2.gz PGPPHYLRWDYLJX-LOWDOPEQSA-N 1 0 227.323 2.041 10 0 BEAERO Cc1cccc(OCC[N@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000295093505 179167339 /nfs/dbraw/zinc/16/73/39/179167339.db2.gz AHARWPSWWKWASW-HIFRSBDPSA-N 1 0 249.354 2.219 10 0 BEAERO [NH3+]Cc1cccc(Br)c1N1CCC1 ZINC000402965101 347119406 /nfs/dbraw/zinc/11/94/06/347119406.db2.gz OCQAASXQFJAELN-UHFFFAOYSA-N 1 0 241.132 2.118 10 0 BEAERO Cc1cccc(N[C@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000104324432 179158714 /nfs/dbraw/zinc/15/87/14/179158714.db2.gz VLUWCEVFNHMHHP-HIFRSBDPSA-N 1 0 239.322 2.427 10 0 BEAERO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@H](C)CO ZINC000382058997 347120428 /nfs/dbraw/zinc/12/04/28/347120428.db2.gz GHBJUHQXECISAV-GMTAPVOTSA-N 1 0 235.318 2.418 10 0 BEAERO CCCCC1=[NH+][C@H](C)C(C(=O)OCC)=C(C)N1 ZINC000038437478 347165060 /nfs/dbraw/zinc/16/50/60/347165060.db2.gz VZTGMOQLYBPPBY-SECBINFHSA-N 1 0 238.331 2.404 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])N(C)C2CC2)c1 ZINC000037080682 179184609 /nfs/dbraw/zinc/18/46/09/179184609.db2.gz LNERXTSPRHPBQZ-CYBMUJFWSA-N 1 0 204.317 2.089 10 0 BEAERO Cc1cccc([C@@H]([NH3+])Cc2ncc[nH]2)c1C ZINC000036946832 179186415 /nfs/dbraw/zinc/18/64/15/179186415.db2.gz RZSVSFYRQCDEIX-LBPRGKRZSA-N 1 0 215.300 2.269 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000382100729 347171866 /nfs/dbraw/zinc/17/18/66/347171866.db2.gz GLDSCMYJYQBWQM-NRWUCQMLSA-N 1 0 222.376 2.390 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000382198368 347228895 /nfs/dbraw/zinc/22/88/95/347228895.db2.gz IXFZPEXJKDAWKA-MGAJPHDKSA-N 1 0 209.333 2.332 10 0 BEAERO Cc1cccc([C@@](O)(C[NH3+])C(F)(F)F)c1C ZINC000062784583 179192004 /nfs/dbraw/zinc/19/20/04/179192004.db2.gz KCGMXFSRQCOMFS-JTQLQIEISA-N 1 0 233.233 2.012 10 0 BEAERO Cc1cccc([C@@](C)(O)C[NH2+]C(C)C)c1 ZINC000055033133 179192272 /nfs/dbraw/zinc/19/22/72/179192272.db2.gz LLMSFIKOPKZLCQ-ZDUSSCGKSA-N 1 0 207.317 2.201 10 0 BEAERO CN(Cc1cccs1)[C@H]1CCC[C@H]1[NH3+] ZINC000250239083 362797413 /nfs/dbraw/zinc/79/74/13/362797413.db2.gz PXAZIACTDRVCIK-MNOVXSKESA-N 1 0 210.346 2.060 10 0 BEAERO CSCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000308306340 347249579 /nfs/dbraw/zinc/24/95/79/347249579.db2.gz OELUDCZWGOWJNB-UWVGGRQHSA-N 1 0 205.342 2.467 10 0 BEAERO CN1CCCC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000250625892 362813757 /nfs/dbraw/zinc/81/37/57/362813757.db2.gz QCBIQUCYHQZHNA-WDEREUQCSA-N 1 0 210.346 2.232 10 0 BEAERO c1cc2c(o1)CC[NH2+][C@@]21C[C@H]2CCC[C@H]21 ZINC000725242866 537988629 /nfs/dbraw/zinc/98/86/29/537988629.db2.gz HIBWAUBCRGTXDN-GIPNMCIBSA-N 1 0 203.285 2.441 10 0 BEAERO Cc1cccc([C@H](CN)[N@@H+](C)C(C)C)c1 ZINC000022212869 179198698 /nfs/dbraw/zinc/19/86/98/179198698.db2.gz KVXJJOQQQNRCCM-ZDUSSCGKSA-N 1 0 206.333 2.335 10 0 BEAERO Cc1cccc([C@H](C[NH3+])CCC(=O)NC(C)C)c1 ZINC000076634684 179199097 /nfs/dbraw/zinc/19/90/97/179199097.db2.gz SFNHDKDPOQSWPE-AWEZNQCLSA-N 1 0 248.370 2.342 10 0 BEAERO Cc1ncn([C@@H](C[NH3+])c2cccc(C)c2)c1C ZINC000051925748 179201302 /nfs/dbraw/zinc/20/13/02/179201302.db2.gz KIHCGVINBJQGRN-AWEZNQCLSA-N 1 0 229.327 2.356 10 0 BEAERO CC(C)(C)[S@](=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000250593443 362812018 /nfs/dbraw/zinc/81/20/18/362812018.db2.gz NZGPZWSIXREWDM-PKFCDNJMSA-N 1 0 217.378 2.051 10 0 BEAERO C[C@@H](O)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000131181921 133660930 /nfs/dbraw/zinc/66/09/30/133660930.db2.gz DCIAXPKGXREKDB-BDAKNGLRSA-N 1 0 225.357 2.268 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cncc(C)c1 ZINC000189913368 347315110 /nfs/dbraw/zinc/31/51/10/347315110.db2.gz LUQWYBYQFPLFKY-HNNXBMFYSA-N 1 0 247.386 2.306 10 0 BEAERO c1ccc2c(c1)cccc2OCC1C[NH2+]C1 ZINC000118589898 347366586 /nfs/dbraw/zinc/36/65/86/347366586.db2.gz YGFPLTQLBZORHN-UHFFFAOYSA-N 1 0 213.280 2.438 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](CC)CC(C)C ZINC000193246764 347393011 /nfs/dbraw/zinc/39/30/11/347393011.db2.gz NERUXGBQOMCIEN-ZDUSSCGKSA-N 1 0 231.380 2.142 10 0 BEAERO CC(C)S(=O)(=O)CCC[NH2+][C@H](C)C(C)(C)C ZINC000120887597 347424463 /nfs/dbraw/zinc/42/44/63/347424463.db2.gz PLRSAFBJQMGTKH-LLVKDONJSA-N 1 0 249.420 2.224 10 0 BEAERO Cc1ccc([C@H]2C[NH2+]C(C)(C)CO2)s1 ZINC000036673115 347431638 /nfs/dbraw/zinc/43/16/38/347431638.db2.gz SPSUPOUHGAXXAT-SECBINFHSA-N 1 0 211.330 2.496 10 0 BEAERO Cc1ccccc1-c1c[nH]c(C[C@@H](C)[NH3+])n1 ZINC000037476827 179236800 /nfs/dbraw/zinc/23/68/00/179236800.db2.gz UWPMETMRLFGWAU-SNVBAGLBSA-N 1 0 215.300 2.275 10 0 BEAERO Cc1ccccc1C(=O)[C@H]1CCCC[NH2+]1 ZINC000071508661 179253994 /nfs/dbraw/zinc/25/39/94/179253994.db2.gz NVIJQFQMUSSCSW-GFCCVEGCSA-N 1 0 203.285 2.320 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000364834461 347557032 /nfs/dbraw/zinc/55/70/32/347557032.db2.gz PZRABDWVUNLXSH-UONOGXRCSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@H]([NH3+])[C@@H](O)c1ccccc1OC(F)F ZINC000036779203 347572755 /nfs/dbraw/zinc/57/27/55/347572755.db2.gz DGXAOTIJWUKTOL-WPRPVWTQSA-N 1 0 231.242 2.059 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000394860958 323151307 /nfs/dbraw/zinc/15/13/07/323151307.db2.gz PZLVQWBUWXHZBR-FDYHWXHSSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1ccccc1CN(CC[NH3+])CC(C)C ZINC000032013794 179272013 /nfs/dbraw/zinc/27/20/13/179272013.db2.gz LTBHVJCPLBODEP-UHFFFAOYSA-N 1 0 220.360 2.412 10 0 BEAERO Cc1ccccc1C[NH+]1CCC(C(N)=S)CC1 ZINC000032104128 179272141 /nfs/dbraw/zinc/27/21/41/179272141.db2.gz BBCJIWMABYEIDD-UHFFFAOYSA-N 1 0 248.395 2.493 10 0 BEAERO Cc1ccccc1CCc1nnc(CC[NH3+])s1 ZINC000071561958 179267387 /nfs/dbraw/zinc/26/73/87/179267387.db2.gz SJBQNVNTUCDVDY-UHFFFAOYSA-N 1 0 247.367 2.133 10 0 BEAERO Cc1ccccc1CNC1=[NH+]CCS1 ZINC000013476051 179281348 /nfs/dbraw/zinc/28/13/48/179281348.db2.gz XKHYNSGLWAWLMO-UHFFFAOYSA-N 1 0 206.314 2.187 10 0 BEAERO Cc1ccccc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000295109877 179274826 /nfs/dbraw/zinc/27/48/26/179274826.db2.gz VZFMXYCIMMYVEK-OCCSQVGLSA-N 1 0 219.328 2.340 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000419181451 192108199 /nfs/dbraw/zinc/10/81/99/192108199.db2.gz BINCFMZDVUZUCE-CQSZACIVSA-N 1 0 241.375 2.040 10 0 BEAERO Cc1ccccc1CNC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000048265959 179279668 /nfs/dbraw/zinc/27/96/68/179279668.db2.gz KSYZTDQFWIHRIZ-GXTWGEPZSA-N 1 0 246.354 2.142 10 0 BEAERO C[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C(C)(C)C ZINC000616569546 347767665 /nfs/dbraw/zinc/76/76/65/347767665.db2.gz ACLMIYCYKIOSJE-GRYCIOLGSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ccccc1C[NH2+][C@H](C)[C@H](C)CO ZINC000123261950 179284831 /nfs/dbraw/zinc/28/48/31/179284831.db2.gz SVFMKQNUATUCNX-VXGBXAGGSA-N 1 0 207.317 2.102 10 0 BEAERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037164466 179283076 /nfs/dbraw/zinc/28/30/76/179283076.db2.gz NONDEQQDPZZXGJ-ZIAGYGMSSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1ccccc1N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070578040 179294433 /nfs/dbraw/zinc/29/44/33/179294433.db2.gz KQBBYMKRPVWDCL-QWHCGFSZSA-N 1 0 246.354 2.475 10 0 BEAERO Cc1ccccc1N(C)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000049990845 179294435 /nfs/dbraw/zinc/29/44/35/179294435.db2.gz IPFPHYLYXMKAIA-QWHCGFSZSA-N 1 0 246.354 2.488 10 0 BEAERO Cc1ccccc1N(C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000049986244 179294578 /nfs/dbraw/zinc/29/45/78/179294578.db2.gz IKMPFIOMVWTTBG-WCQYABFASA-N 1 0 204.317 2.311 10 0 BEAERO Cc1ccccc1N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070578037 179294743 /nfs/dbraw/zinc/29/47/43/179294743.db2.gz KQBBYMKRPVWDCL-OLZOCXBDSA-N 1 0 246.354 2.475 10 0 BEAERO Cc1ccccc1N(C)CC1CC[NH2+]CC1 ZINC000049986717 179295058 /nfs/dbraw/zinc/29/50/58/179295058.db2.gz JCEFDBKSDYYVMH-UHFFFAOYSA-N 1 0 218.344 2.431 10 0 BEAERO Cc1ccccc1C[C@@H]([NH3+])C[C@H]1CCCO1 ZINC000037466751 179289676 /nfs/dbraw/zinc/28/96/76/179289676.db2.gz XTFWFJLAZXCBFG-ZIAGYGMSSA-N 1 0 219.328 2.434 10 0 BEAERO Cc1ccccc1N1CC[NH2+][C@H](C)CC1 ZINC000049661785 179296189 /nfs/dbraw/zinc/29/61/89/179296189.db2.gz MRADOZCJGSDIIR-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO Cc1ccccc1NC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000019439668 179301342 /nfs/dbraw/zinc/30/13/42/179301342.db2.gz SUHYMVVYTIPOSB-AAEUAGOBSA-N 1 0 232.327 2.464 10 0 BEAERO Cc1ccccc1NCC[NH+]1CCSCC1 ZINC000053374339 179304439 /nfs/dbraw/zinc/30/44/39/179304439.db2.gz FCLOKCODMRMCMY-UHFFFAOYSA-N 1 0 236.384 2.456 10 0 BEAERO Cc1ccccc1N(CCC[NH3+])c1cccnn1 ZINC000052815611 179296614 /nfs/dbraw/zinc/29/66/14/179296614.db2.gz MYFLXWOGIIWDTP-UHFFFAOYSA-N 1 0 242.326 2.272 10 0 BEAERO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)C1CC1 ZINC000035142217 179298389 /nfs/dbraw/zinc/29/83/89/179298389.db2.gz DQKCDYYNHFUKIX-NSHDSACASA-N 1 0 232.327 2.322 10 0 BEAERO Cc1ccccc1OCc1csc(C[NH3+])n1 ZINC000041263232 179312654 /nfs/dbraw/zinc/31/26/54/179312654.db2.gz JPKODKAVUPTUHY-UHFFFAOYSA-N 1 0 234.324 2.489 10 0 BEAERO C[C@@H]1C[C@@H](C)[NH2+][C@@H](CN2CCCCC2)C1 ZINC000669381790 537994785 /nfs/dbraw/zinc/99/47/85/537994785.db2.gz VLCSIZYULOYTOY-JHJVBQTASA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@H]1C[NH2+][C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000669381768 537994594 /nfs/dbraw/zinc/99/45/94/537994594.db2.gz UQQPUVOKVHYDAM-GARJFASQSA-N 1 0 242.363 2.145 10 0 BEAERO C[C@@H]1CCCN(C[C@H]2C[C@H](C)C[C@H](C)[NH2+]2)C1 ZINC000669381573 537994601 /nfs/dbraw/zinc/99/46/01/537994601.db2.gz OKSRYYLMNCNEAG-YIYPIFLZSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])COC[C@H]1CCOC1 ZINC000049689341 179325307 /nfs/dbraw/zinc/32/53/07/179325307.db2.gz PVUBOTCSJIWUGB-JSGCOSHPSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])CN1CCCCCC1=O ZINC000019391617 179325518 /nfs/dbraw/zinc/32/55/18/179325518.db2.gz LOWPHUYGWPCPLR-AWEZNQCLSA-N 1 0 246.354 2.397 10 0 BEAERO C[C@@H]1CCC[C@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725244070 537995447 /nfs/dbraw/zinc/99/54/47/537995447.db2.gz DIBYWEZACOEDRX-MFKMUULPSA-N 1 0 227.348 2.483 10 0 BEAERO CC(C)[NH2+]Cc1csnc1OC(C)C ZINC000669381785 537995414 /nfs/dbraw/zinc/99/54/14/537995414.db2.gz VJSCFJMMEQZAMI-UHFFFAOYSA-N 1 0 214.334 2.428 10 0 BEAERO Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@H](C)[NH3+] ZINC000037817356 179328763 /nfs/dbraw/zinc/32/87/63/179328763.db2.gz VGGOWSDXKXJJCB-JSGCOSHPSA-N 1 0 246.354 2.396 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2ccnnc2)C1 ZINC000616613645 349979244 /nfs/dbraw/zinc/97/92/44/349979244.db2.gz OOUKBSPVNUZPAH-NSHDSACASA-N 1 0 205.305 2.064 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282203153 179338455 /nfs/dbraw/zinc/33/84/55/179338455.db2.gz CURHJWCBTSQNQD-SCRDCRAPSA-N 1 0 246.354 2.313 10 0 BEAERO CC[C@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000038000107 348024700 /nfs/dbraw/zinc/02/47/00/348024700.db2.gz CNILIBZLOCFSBK-ZDUSSCGKSA-N 1 0 232.327 2.160 10 0 BEAERO Cc1ccccc1[C@@](O)([C@@H](C)[NH3+])C(F)(F)F ZINC000062784343 179333242 /nfs/dbraw/zinc/33/32/42/179333242.db2.gz LLEDXZSNQZQCRP-SCZZXKLOSA-N 1 0 233.233 2.092 10 0 BEAERO C[C@H](C(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21)C(C)(C)C ZINC000616570587 348069054 /nfs/dbraw/zinc/06/90/54/348069054.db2.gz GZTRXAZNNYMEIQ-WOPDTQHZSA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ccccc1[C@H]1C[NH2+]CC(C)(C)O1 ZINC000011803100 179349014 /nfs/dbraw/zinc/34/90/14/179349014.db2.gz FGCRXQZEHMFYFN-GFCCVEGCSA-N 1 0 205.301 2.435 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])N1C[C@H](C)OC[C@@H]1C ZINC000035783326 179341909 /nfs/dbraw/zinc/34/19/09/179341909.db2.gz UHHCAYBXLHVEEI-YDHLFZDLSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])Cn1cccc(C)c1=O ZINC000062985913 179343729 /nfs/dbraw/zinc/34/37/29/179343729.db2.gz CLOPZNMMPCUIHW-CQSZACIVSA-N 1 0 242.322 2.165 10 0 BEAERO Cc1ccccc1[C@H](N)C[N@H+]1CCC[C@@H]1C ZINC000037910599 179343803 /nfs/dbraw/zinc/34/38/03/179343803.db2.gz UAABLHTZPDRRSP-GXTWGEPZSA-N 1 0 218.344 2.479 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])COC[C@@H]1CCOC1 ZINC000049689338 179344235 /nfs/dbraw/zinc/34/42/35/179344235.db2.gz PVUBOTCSJIWUGB-TZMCWYRMSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1ccccc1[C@H](O)C1CC[NH2+]CC1 ZINC000041213956 179345791 /nfs/dbraw/zinc/34/57/91/179345791.db2.gz DTXDCYDUPKNSPV-CYBMUJFWSA-N 1 0 205.301 2.028 10 0 BEAERO COCC[NH+](CCOC)[C@@H]1CCCC[C@H]1C ZINC000120007175 187386127 /nfs/dbraw/zinc/38/61/27/187386127.db2.gz DVSBZUAKWISLKF-CHWSQXEVSA-N 1 0 229.364 2.160 10 0 BEAERO Cc1ccc2sc(C[C@@H](C)[NH3+])nc2c1 ZINC000037195318 348112763 /nfs/dbraw/zinc/11/27/63/348112763.db2.gz NZYJGGVXZHPDIB-MRVPVSSYSA-N 1 0 206.314 2.494 10 0 BEAERO CCCN(CC)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 ZINC000669381858 537997616 /nfs/dbraw/zinc/99/76/16/537997616.db2.gz YBACHEUUIPNXPD-UPJWGTAASA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1CCCN(c2nc(C[NH3+])ccc2Cl)C1 ZINC000669381917 537998654 /nfs/dbraw/zinc/99/86/54/537998654.db2.gz ADFZGSGSJKUDQT-SECBINFHSA-N 1 0 239.750 2.430 10 0 BEAERO COC(=O)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC000595308050 348223059 /nfs/dbraw/zinc/22/30/59/348223059.db2.gz YHMPTQKLXWRBLI-CYBMUJFWSA-N 1 0 239.359 2.452 10 0 BEAERO CCC[C@@H]1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245090 538000308 /nfs/dbraw/zinc/00/03/08/538000308.db2.gz FCJGQMSBSSCIIV-DMDPSCGWSA-N 1 0 209.333 2.381 10 0 BEAERO Cc1cccnc1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000051041253 179395222 /nfs/dbraw/zinc/39/52/22/179395222.db2.gz YJRZSPRQPIJJMF-GFCCVEGCSA-N 1 0 231.343 2.477 10 0 BEAERO Cc1ccn(-c2ncccc2C[NH2+]C(C)C)n1 ZINC000052885115 179398975 /nfs/dbraw/zinc/39/89/75/179398975.db2.gz DMNKHLVZZHAIIV-UHFFFAOYSA-N 1 0 230.315 2.074 10 0 BEAERO Cc1ccn(-c2ccc(C[C@H](C)[NH3+])cc2C)n1 ZINC000104282340 179399104 /nfs/dbraw/zinc/39/91/04/179399104.db2.gz QWFAKMIBVPEPLX-NSHDSACASA-N 1 0 229.327 2.379 10 0 BEAERO CC(C)=CC[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000365425346 187395150 /nfs/dbraw/zinc/39/51/50/187395150.db2.gz DQBSSVQOQDNBOT-LBPRGKRZSA-N 1 0 219.332 2.316 10 0 BEAERO CC(C)=CC[NH2+]C[C@H]1CCCn2ccnc21 ZINC000365425342 187395177 /nfs/dbraw/zinc/39/51/77/187395177.db2.gz DQBSSVQOQDNBOT-GFCCVEGCSA-N 1 0 219.332 2.316 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1ccc(F)c(Br)c1 ZINC000037381353 348394655 /nfs/dbraw/zinc/39/46/55/348394655.db2.gz YCPMAXAYNKVODH-IMTBSYHQSA-N 1 0 230.080 2.403 10 0 BEAERO CCC(CC)(CC)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000121156967 348474189 /nfs/dbraw/zinc/47/41/89/348474189.db2.gz XMPHCINBDPWKCM-CYBMUJFWSA-N 1 0 240.391 2.461 10 0 BEAERO Cc1ccoc1C(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950239 179503275 /nfs/dbraw/zinc/50/32/75/179503275.db2.gz YCQKOGJSAYEWPK-UHFFFAOYSA-N 1 0 244.294 2.323 10 0 BEAERO Cc1ccsc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000051991004 179551164 /nfs/dbraw/zinc/55/11/64/179551164.db2.gz QDPWYZGGXLJBPO-WDEREUQCSA-N 1 0 225.357 2.450 10 0 BEAERO Cc1cnc(C)c(Nc2ccccc2C[NH3+])n1 ZINC000104309952 179582220 /nfs/dbraw/zinc/58/22/20/179582220.db2.gz FAPBTNNGVRNPHP-UHFFFAOYSA-N 1 0 228.299 2.296 10 0 BEAERO [NH3+][C@H]1C[C@]12CNc1c2cccc1C(F)(F)F ZINC000725246908 538008294 /nfs/dbraw/zinc/00/82/94/538008294.db2.gz APCKXFZRSPXWKV-WCBMZHEXSA-N 1 0 228.217 2.100 10 0 BEAERO Cc1c2c(ccc1Cl)[C@]1(C[C@H]1[NH3+])CN2 ZINC000725247085 538011732 /nfs/dbraw/zinc/01/17/32/538011732.db2.gz GUUNLCLDKACBFW-KOLCDFICSA-N 1 0 208.692 2.043 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725246988 538011566 /nfs/dbraw/zinc/01/15/66/538011566.db2.gz CPGFOMCYNGSSPO-JSGCOSHPSA-N 1 0 216.328 2.378 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000308826356 348758858 /nfs/dbraw/zinc/75/88/58/348758858.db2.gz DSSHYHPKBXMDJL-KCJUWKMLSA-N 1 0 201.273 2.061 10 0 BEAERO Cc1cc2c(c(Cl)c1)NC[C@@]21C[C@H]1[NH3+] ZINC000725247656 538014205 /nfs/dbraw/zinc/01/42/05/538014205.db2.gz UBMJZBUCFKWSTC-KOLCDFICSA-N 1 0 208.692 2.043 10 0 BEAERO CCCCN(CCCC)C(=O)[C@@H](C)[NH2+]C ZINC000054071902 348874634 /nfs/dbraw/zinc/87/46/34/348874634.db2.gz CVUQXLMJLVLFQU-LLVKDONJSA-N 1 0 214.353 2.023 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(CC1CCCCC1)C1CC1 ZINC000054075318 348878086 /nfs/dbraw/zinc/87/80/86/348878086.db2.gz WOZIXKKQCUMHFA-LLVKDONJSA-N 1 0 238.375 2.166 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000054072947 348888337 /nfs/dbraw/zinc/88/83/37/348888337.db2.gz DEDQGUMUNCQPRM-GRYCIOLGSA-N 1 0 240.391 2.315 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(F)cc1 ZINC000399292581 323203132 /nfs/dbraw/zinc/20/31/32/323203132.db2.gz SMNBJBAVGQFGFS-GWCFXTLKSA-N 1 0 223.291 2.171 10 0 BEAERO COc1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290032 348961726 /nfs/dbraw/zinc/96/17/26/348961726.db2.gz XHCKRMJQWNSDEH-LLVKDONJSA-N 1 0 248.326 2.023 10 0 BEAERO CCC[C@@H](C)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290910 348962872 /nfs/dbraw/zinc/96/28/72/348962872.db2.gz JKCIPIIAQFBTNB-VXGBXAGGSA-N 1 0 226.364 2.023 10 0 BEAERO CCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000054290826 348962878 /nfs/dbraw/zinc/96/28/78/348962878.db2.gz XGDQCSRPQHAASA-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)CN(C(=O)C[C@H]1CCC[NH2+]C1)C(C)C ZINC000054291972 348963493 /nfs/dbraw/zinc/96/34/93/348963493.db2.gz MFNGUZWNMBNQFW-CYBMUJFWSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)CN(C(=O)C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000054291970 348963603 /nfs/dbraw/zinc/96/36/03/348963603.db2.gz MFNGUZWNMBNQFW-ZDUSSCGKSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)=CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000188447600 259406363 /nfs/dbraw/zinc/40/63/63/259406363.db2.gz NVYWIRDQFWWMHK-SRVKXCTJSA-N 1 0 209.333 2.356 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1OC[C@@H]1CCCO1 ZINC000022178192 187419820 /nfs/dbraw/zinc/41/98/20/187419820.db2.gz DGCINBYBJHSKSC-MNOVXSKESA-N 1 0 221.300 2.264 10 0 BEAERO Cc1nn(C)c(C)c1-c1ccc(C[NH3+])c(F)c1 ZINC000038073163 187426555 /nfs/dbraw/zinc/42/65/55/187426555.db2.gz PMBOSJCURHJTPF-UHFFFAOYSA-N 1 0 233.290 2.302 10 0 BEAERO CC1=C(Br)C(C)=[NH+]C[C@H](C)N1 ZINC000039109909 187427766 /nfs/dbraw/zinc/42/77/66/187427766.db2.gz UFNYPXJLQSZLCC-YFKPBYRVSA-N 1 0 217.110 2.065 10 0 BEAERO Cc1cnn([C@@H](c2cccs2)[C@H](C)[NH3+])c1 ZINC000043107246 179745806 /nfs/dbraw/zinc/74/58/06/179745806.db2.gz KRRQDKXGJODQNR-GXSJLCMTSA-N 1 0 221.329 2.190 10 0 BEAERO Cc1cnn([C@@H](c2ccsc2)[C@@H](C)[NH3+])c1 ZINC000043124196 179746585 /nfs/dbraw/zinc/74/65/85/179746585.db2.gz PUTFPLKEWIWGOA-MWLCHTKSSA-N 1 0 221.329 2.190 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000616577055 349104284 /nfs/dbraw/zinc/10/42/84/349104284.db2.gz HPORROZHUSQXEC-KXUCPTDWSA-N 1 0 213.321 2.092 10 0 BEAERO CC(C)(CC[NH3+])c1ccc2c(c1)OCCO2 ZINC000041237512 187429268 /nfs/dbraw/zinc/42/92/68/187429268.db2.gz NTUNPDGSGKLGJW-UHFFFAOYSA-N 1 0 221.300 2.084 10 0 BEAERO CC(C)[C@H]([NH3+])COc1cccc(N(C)C)c1 ZINC000041241490 187429514 /nfs/dbraw/zinc/42/95/14/187429514.db2.gz OWAKWXPXCOBQGB-CYBMUJFWSA-N 1 0 222.332 2.115 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@@H](CC)[C@@H]([NH3+])C1 ZINC000616572136 349064864 /nfs/dbraw/zinc/06/48/64/349064864.db2.gz VJXXHCOSSBILCL-TUAOUCFPSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H](C)[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616578443 349124548 /nfs/dbraw/zinc/12/45/48/349124548.db2.gz OIBAFDPABFARDA-ZYHUDNBSSA-N 1 0 208.349 2.001 10 0 BEAERO Cc1cc(C(F)F)nc(C2CC[NH2+]CC2)n1 ZINC000616578808 349127229 /nfs/dbraw/zinc/12/72/29/349127229.db2.gz QKHPFLVLFIBNIY-UHFFFAOYSA-N 1 0 227.258 2.190 10 0 BEAERO CC1(C)C[C@@]([NH3+])(c2ccccc2)CCO1 ZINC000199301102 349184602 /nfs/dbraw/zinc/18/46/02/349184602.db2.gz NRDJCWQGQIQAEE-CYBMUJFWSA-N 1 0 205.301 2.430 10 0 BEAERO c1ccc(C[NH2+][C@H]2C3CCN(CC3)C23CC3)cc1 ZINC000616579416 349161660 /nfs/dbraw/zinc/16/16/60/349161660.db2.gz SVNMJOFEBUPVMQ-HNNXBMFYSA-N 1 0 242.366 2.403 10 0 BEAERO Cc1cc(Cl)ccc1C1(O)CC[NH2+]CC1 ZINC000059716266 349237239 /nfs/dbraw/zinc/23/72/39/349237239.db2.gz UOORYQVONCZBIP-UHFFFAOYSA-N 1 0 225.719 2.219 10 0 BEAERO COC(=O)CCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000599452870 349198682 /nfs/dbraw/zinc/19/86/82/349198682.db2.gz XOKYKPNPHXVWBQ-QJPTWQEYSA-N 1 0 225.332 2.108 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000252632143 349207389 /nfs/dbraw/zinc/20/73/89/349207389.db2.gz BOXKFXYJWXPDHK-IACUBPJLSA-N 1 0 247.338 2.056 10 0 BEAERO CCC[NH2+][C@@H]1Cc2c(O)cccc2C[C@@H]1C ZINC000199559483 349255537 /nfs/dbraw/zinc/25/55/37/349255537.db2.gz SRMYDECUJQRUEQ-GXFFZTMASA-N 1 0 219.328 2.495 10 0 BEAERO CCCC[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616580600 349258342 /nfs/dbraw/zinc/25/83/42/349258342.db2.gz YSBFENRTYOBBQL-LBPRGKRZSA-N 1 0 208.349 2.003 10 0 BEAERO Cc1nc(C(C)C)nc(C)c1CCC[NH3+] ZINC000054836414 179894902 /nfs/dbraw/zinc/89/49/02/179894902.db2.gz AMROKQKCOGXHIY-UHFFFAOYSA-N 1 0 207.321 2.108 10 0 BEAERO FC1(C[NH2+]CC2CCOCC2)CCCC1 ZINC000393609354 352541175 /nfs/dbraw/zinc/54/11/75/352541175.db2.gz LSXHRDUDROWEIV-UHFFFAOYSA-N 1 0 215.312 2.285 10 0 BEAERO Cc1nc(-c2ccco2)ncc1[C@@H](C)[NH3+] ZINC000054962556 179868685 /nfs/dbraw/zinc/86/86/85/179868685.db2.gz XVLWODBAVZCAKQ-SSDOTTSWSA-N 1 0 203.245 2.065 10 0 BEAERO CCn1c2ccc(C)cc2nc1[C@H](C)C[NH3+] ZINC000054334274 187436965 /nfs/dbraw/zinc/43/69/65/187436965.db2.gz RYQXNHWXULQDNE-SNVBAGLBSA-N 1 0 217.316 2.427 10 0 BEAERO [NH3+]Cc1nsc2c1ccc(F)c2F ZINC000725254049 538042756 /nfs/dbraw/zinc/04/27/56/538042756.db2.gz CUTILXCHSASPSP-UHFFFAOYSA-N 1 0 200.213 2.033 10 0 BEAERO C[C@H](c1ccncc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251266742 538043237 /nfs/dbraw/zinc/04/32/37/538043237.db2.gz MVMIQTZTLIYTRI-HIFRSBDPSA-N 1 0 245.370 2.313 10 0 BEAERO CC(C)(C)N1c2ccccc2NC[C@H]1C[NH3+] ZINC000616585010 349365173 /nfs/dbraw/zinc/36/51/73/349365173.db2.gz ONNYEGRJCUMUTC-SNVBAGLBSA-N 1 0 219.332 2.044 10 0 BEAERO Cc1cc(Br)cc(C[C@H](C)[NH3+])c1O ZINC000159313920 350007829 /nfs/dbraw/zinc/00/78/29/350007829.db2.gz USVJCMPHUXMIJU-ZETCQYMHSA-N 1 0 244.132 2.353 10 0 BEAERO C[C@]([NH3+])(Cc1ccc(F)cc1)c1ncccn1 ZINC000725255055 538050111 /nfs/dbraw/zinc/05/01/11/538050111.db2.gz PTXLJPJRNRLIGE-ZDUSSCGKSA-N 1 0 231.274 2.032 10 0 BEAERO CN(C)C(=[NH2+])c1ccccc1Br ZINC000062995224 350112154 /nfs/dbraw/zinc/11/21/54/350112154.db2.gz NIGCFLDJIQZPCJ-UHFFFAOYSA-N 1 0 227.105 2.336 10 0 BEAERO c1ccc(C[C@@H]2OC[C@@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000005933624 350086272 /nfs/dbraw/zinc/08/62/72/350086272.db2.gz BFIHVAAIQMHVLM-SOUVJXGZSA-N 1 0 247.338 2.113 10 0 BEAERO Cc1nc(N)sc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471831 180000368 /nfs/dbraw/zinc/00/03/68/180000368.db2.gz IPCLJYQRPJTMPK-MRVPVSSYSA-N 1 0 243.401 2.125 10 0 BEAERO Cc1nc(N2CCC(CC[NH3+])CC2)sc1C ZINC000082657093 180001307 /nfs/dbraw/zinc/00/13/07/180001307.db2.gz SQQYCJOWROOQLL-UHFFFAOYSA-N 1 0 239.388 2.325 10 0 BEAERO Cc1nc(N2C[C@H](C)C[C@H](C)C2)sc1C[NH3+] ZINC000054994984 180003437 /nfs/dbraw/zinc/00/34/37/180003437.db2.gz WRCHKBLXWREFFV-DTORHVGOSA-N 1 0 239.388 2.393 10 0 BEAERO Cc1nc(N2C[C@@H](C)C[C@H](C)C2)sc1C[NH3+] ZINC000054994985 180003776 /nfs/dbraw/zinc/00/37/76/180003776.db2.gz WRCHKBLXWREFFV-IUCAKERBSA-N 1 0 239.388 2.393 10 0 BEAERO C[C@H](C[NH3+])N1CCc2sccc2[C@@H]1C ZINC000218328235 350089222 /nfs/dbraw/zinc/08/92/22/350089222.db2.gz IWBFHRBBYDXTBC-BDAKNGLRSA-N 1 0 210.346 2.014 10 0 BEAERO Cc1nc(NC[C@H]2CCC[NH2+]C2)cc(C(C)C)n1 ZINC000045954982 180018934 /nfs/dbraw/zinc/01/89/34/180018934.db2.gz ROGXNYHCQHNZNV-LBPRGKRZSA-N 1 0 248.374 2.320 10 0 BEAERO Cc1nc(N[C@@H]2CCC[NH2+][C@H]2C)sc1C ZINC000129512168 180022464 /nfs/dbraw/zinc/02/24/64/180022464.db2.gz PUFMZELMVHMPIK-WCBMZHEXSA-N 1 0 225.361 2.312 10 0 BEAERO Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000335577374 180024955 /nfs/dbraw/zinc/02/49/55/180024955.db2.gz DGCNQAUFIXHJHS-UWVGGRQHSA-N 1 0 225.361 2.442 10 0 BEAERO Cc1nc([C@@H]([NH3+])[C@@H](C)c2ccccc2)no1 ZINC000041046478 180039741 /nfs/dbraw/zinc/03/97/41/180039741.db2.gz IKCCSWLAGTYITH-KWQFWETISA-N 1 0 217.272 2.182 10 0 BEAERO Cc1nc([C@@](C)([NH3+])C2CCCCC2)no1 ZINC000037367379 180044002 /nfs/dbraw/zinc/04/40/02/180044002.db2.gz QCPCTBMPTTWZPW-NSHDSACASA-N 1 0 209.293 2.132 10 0 BEAERO Cc1nc([C@@](C)([NH3+])CCc2ccccc2)no1 ZINC000036762485 180045842 /nfs/dbraw/zinc/04/58/42/180045842.db2.gz WBDUWMITPBYJTQ-ZDUSSCGKSA-N 1 0 231.299 2.185 10 0 BEAERO Cc1[nH+]c([C@H]2CCCOC2)c(N)n1CC(C)C ZINC000104317245 180057666 /nfs/dbraw/zinc/05/76/66/180057666.db2.gz XTPOLJYDRYPLDO-NSHDSACASA-N 1 0 237.347 2.324 10 0 BEAERO Cc1nc([C@]2([NH3+])CCCSC2)sc1C ZINC000061590697 180059288 /nfs/dbraw/zinc/05/92/88/180059288.db2.gz MTWYYMYSIAAZGA-JTQLQIEISA-N 1 0 228.386 2.441 10 0 BEAERO Cc1nc2c(Cl)cc(Cl)cn2c1C[NH3+] ZINC000036244231 180064740 /nfs/dbraw/zinc/06/47/40/180064740.db2.gz UYHCINNRCPWOLP-UHFFFAOYSA-N 1 0 230.098 2.408 10 0 BEAERO [NH3+]CC1([C@H]2CCCO2)CCC(F)(F)CC1 ZINC000725255279 538050855 /nfs/dbraw/zinc/05/08/55/538050855.db2.gz YKBVHADLRVRNHX-SECBINFHSA-N 1 0 219.275 2.320 10 0 BEAERO Nc1[nH]cc(CCCc2ccccc2)[nH+]1 ZINC000725255814 538053047 /nfs/dbraw/zinc/05/30/47/538053047.db2.gz NBSCKRAOIUTYKA-UHFFFAOYSA-N 1 0 201.273 2.167 10 0 BEAERO C[C@@H](CC[NH2+]C1CCC(C)CC1)[S@@](C)=O ZINC000132560404 191034612 /nfs/dbraw/zinc/03/46/12/191034612.db2.gz PZPUPDGPTBQCNR-ZCUCKVSOSA-N 1 0 231.405 2.312 10 0 BEAERO C[C@H](CC[NH2+]Cc1ccccc1F)[S@@](C)=O ZINC000132594800 191034649 /nfs/dbraw/zinc/03/46/49/191034649.db2.gz LHKTYJKHGABGND-HWPZZCPQSA-N 1 0 243.347 2.072 10 0 BEAERO Fc1cccc(COCC2CC[NH2+]CC2)c1F ZINC000051815091 350136559 /nfs/dbraw/zinc/13/65/59/350136559.db2.gz NZWWBORDRNWXIU-UHFFFAOYSA-N 1 0 241.281 2.481 10 0 BEAERO Cc1nc2ccc(Cl)cn2c1[C@@H](C)[NH3+] ZINC000031918713 180090873 /nfs/dbraw/zinc/09/08/73/180090873.db2.gz JEHBZPQKGBDLEF-ZCFIWIBFSA-N 1 0 209.680 2.316 10 0 BEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219845641 350142549 /nfs/dbraw/zinc/14/25/49/350142549.db2.gz SUXGTKNWRBQZJK-BZPMIXESSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1nc2ccccc2nc1N(C)[C@@H](C)CC[NH3+] ZINC000063086422 180106090 /nfs/dbraw/zinc/10/60/90/180106090.db2.gz KRPZNLRKWWBXGW-JTQLQIEISA-N 1 0 244.342 2.112 10 0 BEAERO C[C@H](C[NH3+])[C@@H](O)c1ccccc1Br ZINC000083021568 538062147 /nfs/dbraw/zinc/06/21/47/538062147.db2.gz RHTSXROVQGNOCY-GMSGAONNSA-N 1 0 244.132 2.077 10 0 BEAERO Cc1nc2ccccn2c1C[NH2+][C@@H]1C[C@H]1C ZINC000052273853 180107871 /nfs/dbraw/zinc/10/78/71/180107871.db2.gz SBDIRPCICOUTOC-MWLCHTKSSA-N 1 0 215.300 2.141 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000133059518 191036946 /nfs/dbraw/zinc/03/69/46/191036946.db2.gz NBODHLMVSXIHSO-NWDGAFQWSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000133157462 191037229 /nfs/dbraw/zinc/03/72/29/191037229.db2.gz ZCHVTVAMCLCBRI-VXGBXAGGSA-N 1 0 211.349 2.317 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000124457832 180111129 /nfs/dbraw/zinc/11/11/29/180111129.db2.gz CESHWXKIGUVWNQ-QWHCGFSZSA-N 1 0 246.358 2.367 10 0 BEAERO CCC[C@@H](C)C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000133331119 191040342 /nfs/dbraw/zinc/04/03/42/191040342.db2.gz ANDJSTNSNQWMGK-LLVKDONJSA-N 1 0 249.420 2.226 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513960 350161073 /nfs/dbraw/zinc/16/10/73/350161073.db2.gz DRCGNHXMUPJQKP-DGAVXFQQSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@H](CC(N)=O)[NH2+]CC1(C)CCCCCC1 ZINC000133655229 191041650 /nfs/dbraw/zinc/04/16/50/191041650.db2.gz WGFWLUQSUGOISK-NSHDSACASA-N 1 0 226.364 2.200 10 0 BEAERO Cc1nc2ccccc2n1[C@@H](C)CC[NH3+] ZINC000041042673 180104066 /nfs/dbraw/zinc/10/40/66/180104066.db2.gz IDFNXEPEJNCTLG-VIFPVBQESA-N 1 0 203.289 2.255 10 0 BEAERO Cc1nc2ccccc2n1[C@H](C)[C@@H](C)[NH3+] ZINC000041053915 180104397 /nfs/dbraw/zinc/10/43/97/180104397.db2.gz VDNQPTKYTAJBDP-RKDXNWHRSA-N 1 0 203.289 2.253 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1CNC(F)(F)F ZINC000095088274 191053526 /nfs/dbraw/zinc/05/35/26/191053526.db2.gz RHLZBUPWYMQHMY-VIFPVBQESA-N 1 0 224.270 2.359 10 0 BEAERO CCCNc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794295 187440405 /nfs/dbraw/zinc/44/04/05/187440405.db2.gz DFODZSGSXJZOLG-UHFFFAOYSA-N 1 0 211.696 2.446 10 0 BEAERO Cc1ncc(CNc2[nH+]cc(N)cc2C)s1 ZINC000052812955 180160384 /nfs/dbraw/zinc/16/03/84/180160384.db2.gz OLNKHHLVMOCPME-UHFFFAOYSA-N 1 0 234.328 2.349 10 0 BEAERO Cc1ncc(CNC2=[NH+]C[C@H](C)S2)s1 ZINC000049534275 180150437 /nfs/dbraw/zinc/15/04/37/180150437.db2.gz AIWJTYHLSHCLPQ-LURJTMIESA-N 1 0 227.358 2.032 10 0 BEAERO C[C@H](C[NH3+])CNc1nc2ccccc2s1 ZINC000083387521 350191398 /nfs/dbraw/zinc/19/13/98/350191398.db2.gz SEAPWUMSXXBSQP-MRVPVSSYSA-N 1 0 221.329 2.303 10 0 BEAERO Cc1nccc(C[NH2+][C@@H](C)CC(C)C)n1 ZINC000038037370 180190761 /nfs/dbraw/zinc/19/07/61/180190761.db2.gz SUWFMMWDQSALDQ-JTQLQIEISA-N 1 0 207.321 2.309 10 0 BEAERO CO[C@H]1C[NH2+]CC[C@@H]1Cc1ccc(C)cc1 ZINC000221690290 350216573 /nfs/dbraw/zinc/21/65/73/350216573.db2.gz MMIRAPBNZVCWME-KGLIPLIRSA-N 1 0 219.328 2.162 10 0 BEAERO Cc1nccn1-c1nc(C[NH3+])cc2ccccc21 ZINC000051490884 180231250 /nfs/dbraw/zinc/23/12/50/180231250.db2.gz BUXBPCVMDALVIK-UHFFFAOYSA-N 1 0 238.294 2.188 10 0 BEAERO CC[C@H](C)c1nc2ccccn2c1C[NH3+] ZINC000725259733 538080960 /nfs/dbraw/zinc/08/09/60/538080960.db2.gz HNIZXDWUYMUYBO-VIFPVBQESA-N 1 0 203.289 2.307 10 0 BEAERO Cc1nccn1[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902728 180272379 /nfs/dbraw/zinc/27/23/79/180272379.db2.gz CSWBAQOTXUKFIB-MFKMUULPSA-N 1 0 215.300 2.128 10 0 BEAERO Cc1nccn1[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000023067761 180272465 /nfs/dbraw/zinc/27/24/65/180272465.db2.gz JKRGFVMYJNGOCQ-GWCFXTLKSA-N 1 0 215.300 2.453 10 0 BEAERO C=Cc1cncc(C[C@@H]2CCC[N@@H+](CC)C2)n1 ZINC000725261726 538087180 /nfs/dbraw/zinc/08/71/80/538087180.db2.gz DQJMVRIZSLPXCD-LBPRGKRZSA-N 1 0 231.343 2.394 10 0 BEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000178293874 180265159 /nfs/dbraw/zinc/26/51/59/180265159.db2.gz DSOKJAIHGONLGB-PYEVWLCESA-N 1 0 239.750 2.408 10 0 BEAERO CCCC1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384251079 350270826 /nfs/dbraw/zinc/27/08/26/350270826.db2.gz MGIQREKRLSREIL-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)C[C@@H](C[NH3+])Nc1nc(C2CC2)ns1 ZINC000083670867 350285357 /nfs/dbraw/zinc/28/53/57/350285357.db2.gz HTTKXMLIOZCTNR-VIFPVBQESA-N 1 0 240.376 2.201 10 0 BEAERO Cc1nccn1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043254338 180271642 /nfs/dbraw/zinc/27/16/42/180271642.db2.gz NRPSDAJYHFQQMQ-QMMMGPOBSA-N 1 0 241.747 2.455 10 0 BEAERO Cc1ncn([C@@H](c2cccs2)[C@@H](C)[NH3+])c1C ZINC000051925919 180288964 /nfs/dbraw/zinc/28/89/64/180288964.db2.gz UZJNSJRPPWVIRK-PRHODGIISA-N 1 0 235.356 2.498 10 0 BEAERO Cc1ncn([C@H](C[NH3+])c2cccs2)c1C ZINC000051925854 180289950 /nfs/dbraw/zinc/28/99/50/180289950.db2.gz INAGVPMQIPVPGW-SNVBAGLBSA-N 1 0 221.329 2.110 10 0 BEAERO CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000725262057 538087945 /nfs/dbraw/zinc/08/79/45/538087945.db2.gz TZAIXNPXRPFETO-MXWKQRLJSA-N 1 0 242.363 2.430 10 0 BEAERO Cc1csc(CNc2cc[nH+]cc2)n1 ZINC000038091744 350304406 /nfs/dbraw/zinc/30/44/06/350304406.db2.gz LTXZDMJXKGCAGM-UHFFFAOYSA-N 1 0 205.286 2.459 10 0 BEAERO [NH3+][C@H](CO)c1ccc(SC(F)(F)F)cc1 ZINC000038124672 350307061 /nfs/dbraw/zinc/30/70/61/350307061.db2.gz GADBDLXQPZPQLW-MRVPVSSYSA-N 1 0 237.246 2.291 10 0 BEAERO COC1(OC)CC[C@@H](C(C)C)C[C@H]1CC[NH3+] ZINC000725261837 538088069 /nfs/dbraw/zinc/08/80/69/538088069.db2.gz JTLMGUVWTRFRKD-VXGBXAGGSA-N 1 0 229.364 2.397 10 0 BEAERO Cc1nccnc1SC[C@H]1CCCC[NH2+]1 ZINC000095068813 180279611 /nfs/dbraw/zinc/27/96/11/180279611.db2.gz TUVXJBMRTBIECR-SNVBAGLBSA-N 1 0 223.345 2.019 10 0 BEAERO Cc1nccnc1SC[C@@H]1CCCC[NH2+]1 ZINC000095068812 180280082 /nfs/dbraw/zinc/28/00/82/180280082.db2.gz TUVXJBMRTBIECR-JTQLQIEISA-N 1 0 223.345 2.019 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000246743824 191093487 /nfs/dbraw/zinc/09/34/87/191093487.db2.gz HDAWRHWLJZREIC-FRRDWIJNSA-N 1 0 240.391 2.254 10 0 BEAERO CCCC(=O)N1c2ccccc2CCC[C@H]1C[NH3+] ZINC000725262874 538089604 /nfs/dbraw/zinc/08/96/04/538089604.db2.gz QCWVKJFVRRHFJV-ZDUSSCGKSA-N 1 0 246.354 2.483 10 0 BEAERO Cc1ncn(C[C@@H]([NH3+])c2ccccc2)c1C ZINC000051926528 180287120 /nfs/dbraw/zinc/28/71/20/180287120.db2.gz ZDZUQKVFUIKVQT-CYBMUJFWSA-N 1 0 215.300 2.200 10 0 BEAERO Cc1ncsc1C(=O)Nc1cccc(C[NH3+])c1 ZINC000063190967 180307054 /nfs/dbraw/zinc/30/70/54/180307054.db2.gz SFIXMHFAKDGVFA-UHFFFAOYSA-N 1 0 247.323 2.163 10 0 BEAERO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)C(C)C ZINC000124181994 180336594 /nfs/dbraw/zinc/33/65/94/180336594.db2.gz QCZYLYUEGFCILL-SNVBAGLBSA-N 1 0 223.364 2.214 10 0 BEAERO CC(C)[C@H](C[NH3+])CC(=O)N[C@H](C)c1ccccc1 ZINC000076634395 187445726 /nfs/dbraw/zinc/44/57/26/187445726.db2.gz BVDUEWSVKCRHJI-OCCSQVGLSA-N 1 0 248.370 2.485 10 0 BEAERO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000164623348 180321958 /nfs/dbraw/zinc/32/19/58/180321958.db2.gz OAWLGERVHJYTCE-GHMZBOCLSA-N 1 0 240.372 2.092 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)c1ccccc1 ZINC000226546163 350439430 /nfs/dbraw/zinc/43/94/30/350439430.db2.gz LCMRMIWAVVXGOB-RYUDHWBXSA-N 1 0 203.285 2.244 10 0 BEAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000045172928 180347807 /nfs/dbraw/zinc/34/78/07/180347807.db2.gz URKWWFQWIJTTDW-KCJUWKMLSA-N 1 0 221.348 2.486 10 0 BEAERO CC[C@H](C)[NH+]1CCC(C)(C(N)=S)CC1 ZINC000226324285 350417967 /nfs/dbraw/zinc/41/79/67/350417967.db2.gz NLXSWHQVPXHMED-VIFPVBQESA-N 1 0 214.378 2.173 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)C1CCCCCC1 ZINC000226378970 350425501 /nfs/dbraw/zinc/42/55/01/350425501.db2.gz HXAYZRQVLDCBKL-PWSUYJOCSA-N 1 0 209.333 2.381 10 0 BEAERO CC(C)[C@H](C)C(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000725264643 538091672 /nfs/dbraw/zinc/09/16/72/538091672.db2.gz ZDOQPQRCYBLMCL-SCRDCRAPSA-N 1 0 238.375 2.151 10 0 BEAERO Cc1nn(C2CC[NH2+]CC2)c(C)c1Cl ZINC000050586810 180385004 /nfs/dbraw/zinc/38/50/04/180385004.db2.gz MXEXBCLASOWVLV-UHFFFAOYSA-N 1 0 213.712 2.078 10 0 BEAERO Cc1nn(C2CCC([NH3+])CC2)c(C)c1C ZINC000055144741 180385465 /nfs/dbraw/zinc/38/54/65/180385465.db2.gz FQLBHQCLNYLDGY-UHFFFAOYSA-N 1 0 207.321 2.251 10 0 BEAERO C[C@H](c1ccccc1)c1cc(C[NH3+])ncn1 ZINC000409436500 350479557 /nfs/dbraw/zinc/47/95/57/350479557.db2.gz CKRBQTDADMJIQW-SNVBAGLBSA-N 1 0 213.284 2.087 10 0 BEAERO CCn1cc(C[NH2+]C)c(-c2ccsc2)n1 ZINC000409437251 350480485 /nfs/dbraw/zinc/48/04/85/350480485.db2.gz FHFDVKUYQINHPX-UHFFFAOYSA-N 1 0 221.329 2.351 10 0 BEAERO CCn1cc(CC[NH3+])c(-c2cccs2)n1 ZINC000409440086 350482132 /nfs/dbraw/zinc/48/21/32/350482132.db2.gz RQWQXIXLDGNGAX-UHFFFAOYSA-N 1 0 221.329 2.133 10 0 BEAERO CC(C)Cn1cc(C[NH3+])c(C(F)(F)F)n1 ZINC000409439929 350482469 /nfs/dbraw/zinc/48/24/69/350482469.db2.gz QVBOMRWDEBLCKG-UHFFFAOYSA-N 1 0 221.226 2.017 10 0 BEAERO C[C@H]1CC[C@H](C)[N@H+](Cc2cncnc2)C1 ZINC000127772564 490557987 /nfs/dbraw/zinc/55/79/87/490557987.db2.gz QPTGELZUHGPEKY-QWRGUYRKSA-N 1 0 205.305 2.097 10 0 BEAERO COCC[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070068803 350498152 /nfs/dbraw/zinc/49/81/52/350498152.db2.gz SJWVCFQWSGPKMU-JQWIXIFHSA-N 1 0 221.300 2.135 10 0 BEAERO Cc1nn(CC[C@H]2CCC[NH2+]C2)c(C)c1C ZINC000051919918 180389746 /nfs/dbraw/zinc/38/97/46/180389746.db2.gz AXRVJPPGBCLTMG-CYBMUJFWSA-N 1 0 221.348 2.198 10 0 BEAERO Cc1nn(C[C@@H]2CCCCO2)c(C)c1[C@@H](C)[NH3+] ZINC000054716487 180390369 /nfs/dbraw/zinc/39/03/69/180390369.db2.gz SONWFZJNTAPISA-SKDRFNHKSA-N 1 0 237.347 2.089 10 0 BEAERO c1ccc2c(c1)ccnc2[C@@H]1CC[NH2+]CCO1 ZINC000616593154 350519683 /nfs/dbraw/zinc/51/96/83/350519683.db2.gz JLAAAAUDSDTIER-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)CN1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000336650156 350575609 /nfs/dbraw/zinc/57/56/09/350575609.db2.gz DPEWTJHYRJYMND-BFHYXJOUSA-N 1 0 224.392 2.352 10 0 BEAERO CC(=O)Nc1ccc([C@H]2CC[N@H+](C)CCO2)cc1 ZINC000616593897 350585097 /nfs/dbraw/zinc/58/50/97/350585097.db2.gz NABNUPOTVIIYFH-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cnoc1 ZINC000616594193 350592530 /nfs/dbraw/zinc/59/25/30/350592530.db2.gz OFUBTVWAURUWGM-AWEZNQCLSA-N 1 0 243.310 2.127 10 0 BEAERO CC(C)[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648689 350596921 /nfs/dbraw/zinc/59/69/21/350596921.db2.gz SGQHDTBYVTVBIA-JHJVBQTASA-N 1 0 238.375 2.022 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2cccc(N)c2)CC1 ZINC000616595899 350611420 /nfs/dbraw/zinc/61/14/20/350611420.db2.gz ZOYKUZXWZPIDDP-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO CC(=O)Nc1ccccc1[C@H]1CC[N@H+](C)CCO1 ZINC000616595885 350612448 /nfs/dbraw/zinc/61/24/48/350612448.db2.gz ZJKQIKIXTUXNIU-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178869643 535145544 /nfs/dbraw/zinc/14/55/44/535145544.db2.gz SHZCCSIKOANSKY-RYUDHWBXSA-N 1 0 240.391 2.254 10 0 BEAERO C[N@@H+]1CCCOC[C@H]1c1cnnc2ccccc21 ZINC000616597076 350638446 /nfs/dbraw/zinc/63/84/46/350638446.db2.gz MJXWOFYMECLPMK-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1ccc(OC)cc1 ZINC000616597137 350641018 /nfs/dbraw/zinc/64/10/18/350641018.db2.gz BFLOJFNNQZJXHI-AWEZNQCLSA-N 1 0 235.327 2.479 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000112075773 350652566 /nfs/dbraw/zinc/65/25/66/350652566.db2.gz NCZGYXBOIYVRSP-GFCCVEGCSA-N 1 0 246.358 2.250 10 0 BEAERO C[C@@H](O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000095659330 350661225 /nfs/dbraw/zinc/66/12/25/350661225.db2.gz RHMFFVGFZDRSPL-HZGVNTEJSA-N 1 0 219.206 2.086 10 0 BEAERO Cc1cnc(S[C@H](C[NH3+])C(C)(C)C)nc1 ZINC000043297953 187461064 /nfs/dbraw/zinc/46/10/64/187461064.db2.gz HMQLRFWRNWJYKG-SECBINFHSA-N 1 0 225.361 2.251 10 0 BEAERO Cc1cc(N[C@@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000302314051 191119598 /nfs/dbraw/zinc/11/95/98/191119598.db2.gz PQKVVKGKOHIUHO-PWSUYJOCSA-N 1 0 206.289 2.105 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616598550 350676051 /nfs/dbraw/zinc/67/60/51/350676051.db2.gz DJYRAVILJHCROE-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cccnn1 ZINC000616598751 350688181 /nfs/dbraw/zinc/68/81/81/350688181.db2.gz VJOUEWFCNYLRDG-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO C[C@@H]1CCC[C@@H](C[NH+]2CCC(=O)CC2)C1 ZINC000235357278 350716085 /nfs/dbraw/zinc/71/60/85/350716085.db2.gz FVEYWUUVLZVRRH-VXGBXAGGSA-N 1 0 209.333 2.478 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000385051661 350754710 /nfs/dbraw/zinc/75/47/10/350754710.db2.gz SSKNLDIYKBPWSU-VWYCJHECSA-N 1 0 233.302 2.267 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000385078905 350762241 /nfs/dbraw/zinc/76/22/41/350762241.db2.gz HMUZBFRNONNXTR-GMTAPVOTSA-N 1 0 233.302 2.267 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1ccc(F)cc1 ZINC000616599986 350778744 /nfs/dbraw/zinc/77/87/44/350778744.db2.gz VBDSOHZCWXTQEN-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2c[nH]cn2)CC1 ZINC000616600549 350780617 /nfs/dbraw/zinc/78/06/17/350780617.db2.gz DSKKHLIFGXGJRE-NSHDSACASA-N 1 0 207.321 2.388 10 0 BEAERO c1ccc2nnc([C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000616600926 350781130 /nfs/dbraw/zinc/78/11/30/350781130.db2.gz FIXSRKLOCBPRPT-LLVKDONJSA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cn[nH]c2)CC1 ZINC000616601095 350781746 /nfs/dbraw/zinc/78/17/46/350781746.db2.gz JEZOKGBAOGAKFR-NSHDSACASA-N 1 0 207.321 2.388 10 0 BEAERO c1cc2ccnnc2c([C@@H]2CCC[NH2+]CC2)c1 ZINC000616602794 350788435 /nfs/dbraw/zinc/78/84/35/350788435.db2.gz QVNUPKXSZNHXNY-LLVKDONJSA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)CC1 ZINC000616602265 350790774 /nfs/dbraw/zinc/79/07/74/350790774.db2.gz WOSDEEWIRLKNED-LLVKDONJSA-N 1 0 207.321 2.388 10 0 BEAERO OCc1ccc([C@H]2CCCC[NH2+]C2)cc1 ZINC000616605294 350794151 /nfs/dbraw/zinc/79/41/51/350794151.db2.gz MJLHXHJRRHVRAM-ZDUSSCGKSA-N 1 0 205.301 2.036 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2nnc[nH]2)C1 ZINC000616603823 350795766 /nfs/dbraw/zinc/79/57/66/350795766.db2.gz IRLHKFKGJNEBPR-JTQLQIEISA-N 1 0 222.336 2.173 10 0 BEAERO C[N@@H+]1CCC[C@@H]1c1cc2ccccc2nn1 ZINC000616606436 350797349 /nfs/dbraw/zinc/79/73/49/350797349.db2.gz GSDFDSCHECHLLE-CYBMUJFWSA-N 1 0 213.284 2.397 10 0 BEAERO c1nnoc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616606569 350798074 /nfs/dbraw/zinc/79/80/74/350798074.db2.gz BTXXDJKGLOUWAC-GFCCVEGCSA-N 1 0 229.283 2.407 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616607048 350799247 /nfs/dbraw/zinc/79/92/47/350799247.db2.gz CPKIIYUDIHUSLK-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO C[C@@H]1SCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000306674574 350823639 /nfs/dbraw/zinc/82/36/39/350823639.db2.gz QRJNVURLHJCFDL-POYBYMJQSA-N 1 0 207.289 2.268 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2cccc(C(N)=O)c2)CC1 ZINC000616609575 350803597 /nfs/dbraw/zinc/80/35/97/350803597.db2.gz CCUPFJGDCUYSNS-GFCCVEGCSA-N 1 0 246.354 2.375 10 0 BEAERO [NH3+]CCN1CCC[C@H]1c1cccc2cccnc21 ZINC000616608414 350804656 /nfs/dbraw/zinc/80/46/56/350804656.db2.gz UHMIXKAVDBSXRD-AWEZNQCLSA-N 1 0 241.338 2.330 10 0 BEAERO CCC[N@@H+]1CCc2nc(CC)sc2C1 ZINC000306677120 350830458 /nfs/dbraw/zinc/83/04/58/350830458.db2.gz YGBDWWCKSKMEBD-UHFFFAOYSA-N 1 0 210.346 2.474 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2ccccc2CCO)C1 ZINC000616614804 350838274 /nfs/dbraw/zinc/83/82/74/350838274.db2.gz VLUXWVYGOJZNSW-CQSZACIVSA-N 1 0 233.355 2.419 10 0 BEAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1conn1 ZINC000616614905 350842011 /nfs/dbraw/zinc/84/20/11/350842011.db2.gz YPIZXFIRJCANBF-SNVBAGLBSA-N 1 0 209.293 2.395 10 0 BEAERO CC[N@@H+]1CCCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616615389 350846811 /nfs/dbraw/zinc/84/68/11/350846811.db2.gz IGWQWZWFKPLRQV-ZDUSSCGKSA-N 1 0 232.327 2.332 10 0 BEAERO CC[N@@H+]1CCCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616615425 350847109 /nfs/dbraw/zinc/84/71/09/350847109.db2.gz KAYABURANSERKH-ZDUSSCGKSA-N 1 0 232.327 2.332 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cc3ccccc3nn2)C1 ZINC000616617307 350863572 /nfs/dbraw/zinc/86/35/72/350863572.db2.gz NOLKJDHROCINTB-LBPRGKRZSA-N 1 0 227.311 2.439 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cncnc2)C1 ZINC000616617385 350866570 /nfs/dbraw/zinc/86/65/70/350866570.db2.gz VBYFVYZDOHQZGO-LLVKDONJSA-N 1 0 205.305 2.064 10 0 BEAERO CCNC(=[NH2+])Nc1cccc(Br)c1 ZINC000052069650 350901228 /nfs/dbraw/zinc/90/12/28/350901228.db2.gz GFAGCLMZAXATKZ-UHFFFAOYSA-N 1 0 242.120 2.405 10 0 BEAERO C[C@@H]1C[C@@]2(C[C@H](C)O1)[NH2+]C(C)(C)CS2 ZINC000252096271 350908788 /nfs/dbraw/zinc/90/87/88/350908788.db2.gz HVKVQKXTHSMSGQ-DOFRTFSJSA-N 1 0 215.362 2.385 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cccnn2)C1 ZINC000616618477 350914721 /nfs/dbraw/zinc/91/47/21/350914721.db2.gz WFGLMDYGEJZFSM-NSHDSACASA-N 1 0 219.332 2.455 10 0 BEAERO C[NH2+][C@H](C(C)C)[C@@H]1SCCS[C@H]1C ZINC000252724070 350914855 /nfs/dbraw/zinc/91/48/55/350914855.db2.gz WHMVTXAVFYMEBD-IVZWLZJFSA-N 1 0 219.419 2.468 10 0 BEAERO CC[C@H]1CC[N@H+](C[C@H]2CCCCC2=O)C1 ZINC000252846889 350916443 /nfs/dbraw/zinc/91/64/43/350916443.db2.gz FTYOUKMSHYOGDD-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO c1cc2cc([C@H]3CCC[NH2+]C3)ccc2nn1 ZINC000616618811 350925306 /nfs/dbraw/zinc/92/53/06/350925306.db2.gz MPBCNOLPLJQKIS-LBPRGKRZSA-N 1 0 213.284 2.097 10 0 BEAERO c1cc2ccnnc2c(C2CC[NH2+]CC2)c1 ZINC000616620522 350941248 /nfs/dbraw/zinc/94/12/48/350941248.db2.gz BXLFVDKOSDCVAR-UHFFFAOYSA-N 1 0 213.284 2.097 10 0 BEAERO CC(C)CC(=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000128965550 350932629 /nfs/dbraw/zinc/93/26/29/350932629.db2.gz JHCXQQGPMCIPAH-YOGCLGLASA-N 1 0 209.333 2.474 10 0 BEAERO Nc1cc(NCC2CC2)c(Br)c[nH+]1 ZINC000306744854 350933391 /nfs/dbraw/zinc/93/33/91/350933391.db2.gz YYADMTGTCVPLRW-UHFFFAOYSA-N 1 0 242.120 2.248 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN(OCc2ccccc2)[C@H]1C ZINC000306750509 350934279 /nfs/dbraw/zinc/93/42/79/350934279.db2.gz JBCNMUWCOCFGNK-OBJOEFQTSA-N 1 0 234.343 2.176 10 0 BEAERO C[C@@H]1[C@H]([NH3+])CCN(OCc2ccccc2)[C@H]1C ZINC000306750516 350934639 /nfs/dbraw/zinc/93/46/39/350934639.db2.gz JBCNMUWCOCFGNK-SGMGOOAPSA-N 1 0 234.343 2.176 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000252710140 538099703 /nfs/dbraw/zinc/09/97/03/538099703.db2.gz FUNQNBQQBYYDPT-XQHKEYJVSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H](C(N)=S)[N@@H+]1CCCC12CCCC2 ZINC000306724582 350893698 /nfs/dbraw/zinc/89/36/98/350893698.db2.gz IZJQLYGPFVKRSV-VIFPVBQESA-N 1 0 212.362 2.070 10 0 BEAERO CC(C)([NH3+])C[S@@](=O)C1CCCCCC1 ZINC000129041338 350970431 /nfs/dbraw/zinc/97/04/31/350970431.db2.gz MHBZBENKEMSUMF-AWEZNQCLSA-N 1 0 217.378 2.195 10 0 BEAERO C[NH2+][C@H](c1ccsc1)[C@H]1OCC[C@@H]1C ZINC000129229711 351008912 /nfs/dbraw/zinc/00/89/12/351008912.db2.gz XJSGDDWEAPKOPJ-GDPRMGEGSA-N 1 0 211.330 2.434 10 0 BEAERO C[C@@H]([NH3+])[C@](C)(O)c1c(F)cccc1Cl ZINC000306763437 350993734 /nfs/dbraw/zinc/99/37/34/350993734.db2.gz GKKJMRYBBDYOFG-LDWIPMOCSA-N 1 0 217.671 2.034 10 0 BEAERO C[C@H]([NH3+])[C@@](C)(O)c1c(F)cccc1Cl ZINC000306763439 350993968 /nfs/dbraw/zinc/99/39/68/350993968.db2.gz GKKJMRYBBDYOFG-QUBYGPBYSA-N 1 0 217.671 2.034 10 0 BEAERO COc1cc(F)c2c(c1)[C@@H]([NH3+])CSC2 ZINC000228666562 350997903 /nfs/dbraw/zinc/99/79/03/350997903.db2.gz HSLBVSGADKMKRW-JTQLQIEISA-N 1 0 213.277 2.081 10 0 BEAERO Cc1cc[nH+]c(N)c1Cc1cncs1 ZINC000159781618 351001200 /nfs/dbraw/zinc/00/12/00/351001200.db2.gz UDVSFDUTPYDZAA-UHFFFAOYSA-N 1 0 205.286 2.020 10 0 BEAERO Cc1cccc([C@H](O)[C@@H](C)C[NH3+])c1Cl ZINC000129179618 351002506 /nfs/dbraw/zinc/00/25/06/351002506.db2.gz ZCMGQOSIGKZGLP-GZMMTYOYSA-N 1 0 213.708 2.277 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000616621056 350948734 /nfs/dbraw/zinc/94/87/34/350948734.db2.gz OMAXTDMEAZXGES-SNVBAGLBSA-N 1 0 207.321 2.388 10 0 BEAERO FCCC[N@@H+]1CCS[C@H]2CCC[C@@H]21 ZINC000306789680 351039312 /nfs/dbraw/zinc/03/93/12/351039312.db2.gz UFVSNFNHSBENPQ-UWVGGRQHSA-N 1 0 203.326 2.316 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(C)o1 ZINC000398077625 362999431 /nfs/dbraw/zinc/99/94/31/362999431.db2.gz QHWGRQACTXTFRO-CHWSQXEVSA-N 1 0 249.358 2.042 10 0 BEAERO Cc1ccc([C@@H]([NH3+])CC[NH3+])c(Br)c1 ZINC000306801053 351056232 /nfs/dbraw/zinc/05/62/32/351056232.db2.gz QFKRBKLBAUCRJJ-JTQLQIEISA-N 1 0 243.148 2.106 10 0 BEAERO Cn1ncc([C@@H]([NH3+])C(C)(C)C)c1Br ZINC000306806704 351059578 /nfs/dbraw/zinc/05/95/78/351059578.db2.gz KPIZLYUVSBNRHI-SSDOTTSWSA-N 1 0 246.152 2.229 10 0 BEAERO C[NH2+]Cc1coc(-c2cc(C)cs2)n1 ZINC000306808895 351061169 /nfs/dbraw/zinc/06/11/69/351061169.db2.gz QJSLOWXJMZRCJB-UHFFFAOYSA-N 1 0 208.286 2.431 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336758939 191128593 /nfs/dbraw/zinc/12/85/93/191128593.db2.gz KZBBEVBMNIPKOP-RYUDHWBXSA-N 1 0 211.349 2.437 10 0 BEAERO OCc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000616629560 351100983 /nfs/dbraw/zinc/10/09/83/351100983.db2.gz KKSDWCNXGNNIKZ-CYBMUJFWSA-N 1 0 205.301 2.384 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1ccnc2ccccc21 ZINC000616630796 351103921 /nfs/dbraw/zinc/10/39/21/351103921.db2.gz BQDOBMPPGYDTPM-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1ccnc2ccccc21 ZINC000616630802 351103938 /nfs/dbraw/zinc/10/39/38/351103938.db2.gz BQDOBMPPGYDTPM-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cccnn2)CC1 ZINC000616626955 351107179 /nfs/dbraw/zinc/10/71/79/351107179.db2.gz GWRYJOYVTWWIIU-LBPRGKRZSA-N 1 0 219.332 2.455 10 0 BEAERO CNc1cccc([C@@H]2C[N@@H+](C(C)C)CCN2)c1 ZINC000616632069 351109913 /nfs/dbraw/zinc/10/99/13/351109913.db2.gz GKKFXRRHRNVIFU-AWEZNQCLSA-N 1 0 233.359 2.083 10 0 BEAERO COc1ccc([C@H]2C[N@@H+](C(C)(C)C)CCN2)cc1 ZINC000616632129 351110339 /nfs/dbraw/zinc/11/03/39/351110339.db2.gz MLGQXCYFVFTUGY-CQSZACIVSA-N 1 0 248.370 2.440 10 0 BEAERO CC(C)Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000725268175 538100053 /nfs/dbraw/zinc/10/00/53/538100053.db2.gz ILNIERQBQMZVQH-HUUCEWRRSA-N 1 0 232.371 2.289 10 0 BEAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccc(N)cc2)C1 ZINC000616632761 351113900 /nfs/dbraw/zinc/11/39/00/351113900.db2.gz PLDDOARPSYRVBK-ZDUSSCGKSA-N 1 0 233.359 2.014 10 0 BEAERO CC[N@@H+]1CCN[C@H](c2ccc3cnccc3c2)C1 ZINC000616633034 351114630 /nfs/dbraw/zinc/11/46/30/351114630.db2.gz XPUZNTPGODQRQR-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1nccc2ccccc21 ZINC000616633567 351115584 /nfs/dbraw/zinc/11/55/84/351115584.db2.gz MJCWTLJAKOFTAE-CQSZACIVSA-N 1 0 241.338 2.330 10 0 BEAERO CC(=O)Nc1cccc([C@H]2CCC[N@H+]2C)c1 ZINC000616634528 351117251 /nfs/dbraw/zinc/11/72/51/351117251.db2.gz SFCALAUPONZGLL-CYBMUJFWSA-N 1 0 218.300 2.412 10 0 BEAERO c1n[nH]cc1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000616634591 351117988 /nfs/dbraw/zinc/11/79/88/351117988.db2.gz UZKRTWMGIUCCJM-ZDUSSCGKSA-N 1 0 227.311 2.399 10 0 BEAERO CC1CCC(N(C)C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079516994 351070274 /nfs/dbraw/zinc/07/02/74/351070274.db2.gz CTHXVELADAFJMU-ORHYLEIMSA-N 1 0 238.375 2.166 10 0 BEAERO Cc1nc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000306819178 351084937 /nfs/dbraw/zinc/08/49/37/351084937.db2.gz CLEKISPJHDHCQE-ZJUUUORDSA-N 1 0 206.314 2.359 10 0 BEAERO C[N@@H+]1CCCCC[C@H]1c1ccccc1C(N)=O ZINC000616622209 351085941 /nfs/dbraw/zinc/08/59/41/351085941.db2.gz WKCWSYGFBKHWBX-ZDUSSCGKSA-N 1 0 232.327 2.332 10 0 BEAERO [NH3+]CCN1CCCCC[C@@H]1c1ccccc1CO ZINC000616623190 351088628 /nfs/dbraw/zinc/08/86/28/351088628.db2.gz CGSZYBYSEZLNOB-OAHLLOKOSA-N 1 0 248.370 2.055 10 0 BEAERO Nc1ccccc1[C@@H]1CCCCCN1CC[NH3+] ZINC000616624593 351091979 /nfs/dbraw/zinc/09/19/79/351091979.db2.gz CAMAZQLUUNDJBE-AWEZNQCLSA-N 1 0 233.359 2.145 10 0 BEAERO CC[N@@H+]1CCCCC[C@@H]1c1cccnn1 ZINC000616624371 351092020 /nfs/dbraw/zinc/09/20/20/351092020.db2.gz ZJFUDUNRUGQQBB-GFCCVEGCSA-N 1 0 205.305 2.414 10 0 BEAERO c1ccc2c(c1)nncc2[C@@H]1CCCC[NH2+]C1 ZINC000616625046 351092616 /nfs/dbraw/zinc/09/26/16/351092616.db2.gz MQKXGILPNQEFBA-LLVKDONJSA-N 1 0 227.311 2.487 10 0 BEAERO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C)CC1 ZINC000616628854 351099275 /nfs/dbraw/zinc/09/92/75/351099275.db2.gz QDKKCATUIZZXBF-NSHDSACASA-N 1 0 242.363 2.338 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](n2ccnc2)C1 ZINC000616654856 351192130 /nfs/dbraw/zinc/19/21/30/351192130.db2.gz PTSZQAKSUQZHQM-GFCCVEGCSA-N 1 0 207.321 2.319 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1cccc(N)c1 ZINC000616641833 351152085 /nfs/dbraw/zinc/15/20/85/351152085.db2.gz RMFSZKSVFFJYAI-ZDUSSCGKSA-N 1 0 234.343 2.441 10 0 BEAERO c1cnc2c(c1)cccc2[C@H]1COCCC[NH2+]1 ZINC000616647410 351174205 /nfs/dbraw/zinc/17/42/05/351174205.db2.gz WYGHKUMIYVJTIQ-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616649509 351178466 /nfs/dbraw/zinc/17/84/66/351178466.db2.gz WFAAAENKHJBAIU-HNNXBMFYSA-N 1 0 249.354 2.003 10 0 BEAERO c1ccc2c(c1)ccnc2[C@H]1C[NH2+]CCCO1 ZINC000616652466 351185227 /nfs/dbraw/zinc/18/52/27/351185227.db2.gz ZYTLNWUPTGJJGH-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616652572 351185814 /nfs/dbraw/zinc/18/58/14/351185814.db2.gz RXEYFMZGBKIKIR-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccccc2CO)C1 ZINC000616653328 351186531 /nfs/dbraw/zinc/18/65/31/351186531.db2.gz LUPXZCMVRWHMCH-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO C[N@@H+]1CCCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616653011 351186784 /nfs/dbraw/zinc/18/67/84/351186784.db2.gz RXEYFMZGBKIKIR-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO COc1ccc([C@@H]2C[N@H+](C)CCCO2)cc1 ZINC000616651821 351189203 /nfs/dbraw/zinc/18/92/03/351189203.db2.gz PUKCJMWNFGLLCK-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H](c2ncccn2)C1 ZINC000616652042 351189617 /nfs/dbraw/zinc/18/96/17/351189617.db2.gz DDRLWWSPICIQHI-GFCCVEGCSA-N 1 0 219.332 2.455 10 0 BEAERO c1cnc2cccc([C@@H]3C[NH2+]CCCO3)c2c1 ZINC000616651965 351189725 /nfs/dbraw/zinc/18/97/25/351189725.db2.gz HOWXKIMECKOKLF-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1cccc2cccnc21 ZINC000616636496 351127508 /nfs/dbraw/zinc/12/75/08/351127508.db2.gz BZBIGNDQDVSZFI-AWEZNQCLSA-N 1 0 241.338 2.201 10 0 BEAERO CNc1cccc([C@H]2CNCC[N@@H+]2C(C)(C)C)c1 ZINC000616637293 351132316 /nfs/dbraw/zinc/13/23/16/351132316.db2.gz JASWBDLTVRNOTK-CQSZACIVSA-N 1 0 247.386 2.473 10 0 BEAERO C[C@@H]1C[NH+]=C(NCCC(F)(F)F)S1 ZINC000063100806 351140440 /nfs/dbraw/zinc/14/04/40/351140440.db2.gz BLKAQYLYEWDUHY-RXMQYKEDSA-N 1 0 212.240 2.020 10 0 BEAERO CC(C)(C)[N@@H+]1CCNC[C@H]1c1cccc(N)c1 ZINC000616638591 351140620 /nfs/dbraw/zinc/14/06/20/351140620.db2.gz ZREYMPZZKXQRCI-ZDUSSCGKSA-N 1 0 233.359 2.014 10 0 BEAERO CN1CC[C@@H](c2ccc(N)nc2)c2ccccc21 ZINC000616670788 351231286 /nfs/dbraw/zinc/23/12/86/351231286.db2.gz BGORTGWSZKOSRV-LBPRGKRZSA-N 1 0 239.322 2.466 10 0 BEAERO CCOC(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000616670405 351232316 /nfs/dbraw/zinc/23/23/16/351232316.db2.gz FRTVUEIGRBRVSG-NSHDSACASA-N 1 0 248.326 2.171 10 0 BEAERO Nc1ccc([C@@H]2CCNc3ccccc32)cn1 ZINC000616674090 351238154 /nfs/dbraw/zinc/23/81/54/351238154.db2.gz FMXQZTPYZPNWIU-NSHDSACASA-N 1 0 225.295 2.442 10 0 BEAERO C[N@@H+]1CCc2ccccc2[C@H]1c1cccnc1N ZINC000616679143 351250535 /nfs/dbraw/zinc/25/05/35/351250535.db2.gz KXCAVQHYGHQNGQ-AWEZNQCLSA-N 1 0 239.322 2.241 10 0 BEAERO CC(C)(C)N1C[C@H](C[NH3+])Nc2ccccc21 ZINC000616682335 351252855 /nfs/dbraw/zinc/25/28/55/351252855.db2.gz JRKZBCPYTXWQFM-JTQLQIEISA-N 1 0 219.332 2.044 10 0 BEAERO CNc1ccccc1[C@H]1CCOCC[N@@H+]1C ZINC000616655519 351195668 /nfs/dbraw/zinc/19/56/68/351195668.db2.gz FSPMYKSDTIQWCF-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO CNc1cccc([C@H]2CCOCC[N@@H+]2C)c1 ZINC000616655499 351196586 /nfs/dbraw/zinc/19/65/86/351196586.db2.gz FETTXJIQVWEJOI-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1cccc(F)c1 ZINC000616656658 351196627 /nfs/dbraw/zinc/19/66/27/351196627.db2.gz XAXXYTNRUGTCBP-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO c1cc2ccc([C@@H]3CCOCC[NH2+]3)cc2cn1 ZINC000616657551 351199121 /nfs/dbraw/zinc/19/91/21/351199121.db2.gz DBBHNFWZVZBTNV-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO COC(=O)N1CCCC[C@@H](Nc2ccccn2)C1 ZINC000616656041 351201748 /nfs/dbraw/zinc/20/17/48/351201748.db2.gz ZPRHDFJPOWSUII-LLVKDONJSA-N 1 0 249.314 2.114 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616656302 351202723 /nfs/dbraw/zinc/20/27/23/351202723.db2.gz RUFZHBWXMVDLLU-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO COc1ccc([C@@H]2CCOCC[N@@H+]2C)cc1 ZINC000616660446 351207813 /nfs/dbraw/zinc/20/78/13/351207813.db2.gz ZZDYFBAXFXNWBG-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](C(F)(F)F)C1 ZINC000616661610 351210927 /nfs/dbraw/zinc/21/09/27/351210927.db2.gz UYFMEEUWKOEBNR-QMMMGPOBSA-N 1 0 225.254 2.296 10 0 BEAERO c1cnc2cc([C@H]3CCOCC[NH2+]3)ccc2c1 ZINC000616660717 351213366 /nfs/dbraw/zinc/21/33/66/351213366.db2.gz WLDTYLMJGOCGFL-CYBMUJFWSA-N 1 0 228.295 2.286 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2ccc3cnccc3c2)C1 ZINC000616661084 351214264 /nfs/dbraw/zinc/21/42/64/351214264.db2.gz ZXEFIJUTMULGJR-OAHLLOKOSA-N 1 0 242.322 2.280 10 0 BEAERO c1cnc2cc([C@@H]3CCOCC[NH2+]3)ccc2c1 ZINC000616661082 351214274 /nfs/dbraw/zinc/21/42/74/351214274.db2.gz WLDTYLMJGOCGFL-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO C[C@H]([NH3+])COc1c(F)cccc1Cl ZINC000222914723 351261954 /nfs/dbraw/zinc/26/19/54/351261954.db2.gz JVOKUXKLGNEEAL-LURJTMIESA-N 1 0 203.644 2.205 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H](OC(F)(F)F)C1 ZINC000616662054 351217708 /nfs/dbraw/zinc/21/77/08/351217708.db2.gz ZQAHJXJCQDNFGZ-MRVPVSSYSA-N 1 0 241.253 2.022 10 0 BEAERO CC(C)[N@@H+]1CCO[C@@H](c2cccnc2)CC1 ZINC000616666403 351226659 /nfs/dbraw/zinc/22/66/59/351226659.db2.gz RHMUJFYYNQNJFS-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(N)nc2)CC1 ZINC000616666577 351226821 /nfs/dbraw/zinc/22/68/21/351226821.db2.gz YYZDOOINHZMKBV-GFCCVEGCSA-N 1 0 249.358 2.056 10 0 BEAERO [NH3+][C@@H]1CCCCC[C@H]1Nc1nccs1 ZINC000063214363 351281087 /nfs/dbraw/zinc/28/10/87/351281087.db2.gz AWOCUHPCMQGDJT-RKDXNWHRSA-N 1 0 211.334 2.215 10 0 BEAERO CC[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000306890377 351297947 /nfs/dbraw/zinc/29/79/47/351297947.db2.gz YWWNDDOZCFBPGT-UHFFFAOYSA-N 1 0 207.170 2.353 10 0 BEAERO Clc1ccc([C@@H]2C[NH2+]CCOC2)cc1 ZINC000071518398 180584957 /nfs/dbraw/zinc/58/49/57/180584957.db2.gz LEYFYWQYKQJNAP-SNVBAGLBSA-N 1 0 211.692 2.043 10 0 BEAERO C1C[NH2+][C@@H]([C@@H]2CCCSC2)SC1 ZINC000306901745 351316198 /nfs/dbraw/zinc/31/61/98/351316198.db2.gz OSWCWOJSDJKULD-RKDXNWHRSA-N 1 0 203.376 2.182 10 0 BEAERO C1C[NH2+][C@@H]([C@H]2CCCSC2)SC1 ZINC000306901743 351316748 /nfs/dbraw/zinc/31/67/48/351316748.db2.gz OSWCWOJSDJKULD-DTWKUNHWSA-N 1 0 203.376 2.182 10 0 BEAERO C[C@H](C[NH3+])[C@H](O)c1cc(F)cc(Cl)c1 ZINC000168351997 351388784 /nfs/dbraw/zinc/38/87/84/351388784.db2.gz MNWNCTMNCQSNQX-LDWIPMOCSA-N 1 0 217.671 2.107 10 0 BEAERO C[C@@H](C[NH3+])[C@H](O)c1cc(F)cc(Cl)c1 ZINC000168351899 351389330 /nfs/dbraw/zinc/38/93/30/351389330.db2.gz MNWNCTMNCQSNQX-WKEGUHRASA-N 1 0 217.671 2.107 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1cccc2cccnc21 ZINC000069050763 351347393 /nfs/dbraw/zinc/34/73/93/351347393.db2.gz IGBQNBGCCZEVRX-YPMHNXCESA-N 1 0 216.284 2.006 10 0 BEAERO [NH3+]CC/C=C/c1ccc(Br)o1 ZINC000069050554 351347540 /nfs/dbraw/zinc/34/75/40/351347540.db2.gz WYTZELXSWGCSFK-HNQUOIGGSA-N 1 0 216.078 2.404 10 0 BEAERO CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000034937122 351351213 /nfs/dbraw/zinc/35/12/13/351351213.db2.gz YJMVCVQEWBFLQO-GHMZBOCLSA-N 1 0 238.331 2.063 10 0 BEAERO CCCCCNC(=O)[C@@H](C)[NH2+]CCCCC ZINC000034938624 351353005 /nfs/dbraw/zinc/35/30/05/351353005.db2.gz DSGTUYADVWTTFJ-GFCCVEGCSA-N 1 0 228.380 2.461 10 0 BEAERO CCCCC[NH2+][C@H](C)C(=O)NCCCC ZINC000034938626 351353538 /nfs/dbraw/zinc/35/35/38/351353538.db2.gz QEINJVYTIJKAFP-LLVKDONJSA-N 1 0 214.353 2.071 10 0 BEAERO CC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000034940636 351356837 /nfs/dbraw/zinc/35/68/37/351356837.db2.gz YOQJVYLATNERIU-OTYXRUKQSA-N 1 0 232.327 2.251 10 0 BEAERO Cn1cc([C@@H]([NH3+])c2c(F)cccc2Cl)cn1 ZINC000034957707 351362825 /nfs/dbraw/zinc/36/28/25/351362825.db2.gz CPJICUNYISBSHU-LLVKDONJSA-N 1 0 239.681 2.261 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1OCCc1ccccc1 ZINC000034958179 351364561 /nfs/dbraw/zinc/36/45/61/351364561.db2.gz JCGHSNAJPQNWHW-OLZOCXBDSA-N 1 0 205.301 2.126 10 0 BEAERO [NH3+]C/C=C/c1csc(Br)c1 ZINC000307024757 351433427 /nfs/dbraw/zinc/43/34/27/351433427.db2.gz ZGRXFGFVQLBAHJ-OWOJBTEDSA-N 1 0 218.119 2.483 10 0 BEAERO Cc1nc([C@H]([NH3+])C[C@H]2CCCO2)cs1 ZINC000307052602 351450625 /nfs/dbraw/zinc/45/06/25/351450625.db2.gz USUCDDNHARBGRA-RKDXNWHRSA-N 1 0 212.318 2.020 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1OCCOCc1ccccc1 ZINC000307054104 351454251 /nfs/dbraw/zinc/45/42/51/351454251.db2.gz WOIMIAPCSMKLFF-ZIAGYGMSSA-N 1 0 235.327 2.100 10 0 BEAERO C=CC[C@H](C[NH3+])Cc1ccccc1OC ZINC000386705101 363030106 /nfs/dbraw/zinc/03/01/06/363030106.db2.gz WGPWCAGCYFZHTD-NSHDSACASA-N 1 0 205.301 2.389 10 0 BEAERO CC(C)([NH3+])C(=O)c1ccsc1Cl ZINC000307022726 351426317 /nfs/dbraw/zinc/42/63/17/351426317.db2.gz HFGJPIMXNQETPF-UHFFFAOYSA-N 1 0 203.694 2.322 10 0 BEAERO C/C(=C\Cl)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000307092991 351473456 /nfs/dbraw/zinc/47/34/56/351473456.db2.gz SICRBWAWPUGVNI-QRJSTWQJSA-N 1 0 203.713 2.286 10 0 BEAERO C[C@H]1Oc2c(c(F)ccc2Cl)[C@@H]1[NH3+] ZINC000307100174 351479473 /nfs/dbraw/zinc/47/94/73/351479473.db2.gz GPVIRXNKQQVPFN-SPGJFGJESA-N 1 0 201.628 2.260 10 0 BEAERO c1ccc(C[NH2+][C@@H]2CC23CCOCC3)cc1 ZINC000307107029 351482368 /nfs/dbraw/zinc/48/23/68/351482368.db2.gz FFZCJPHXOOWZCI-CYBMUJFWSA-N 1 0 217.312 2.345 10 0 BEAERO COc1ncc(-c2csc(C[NH3+])c2)s1 ZINC000307125626 351491653 /nfs/dbraw/zinc/49/16/53/351491653.db2.gz KZDHBSFDLXMGEW-UHFFFAOYSA-N 1 0 226.326 2.339 10 0 BEAERO C[C@@]1([C@@H]([NH3+])c2cnsc2)CCCS1 ZINC000404592645 351593768 /nfs/dbraw/zinc/59/37/68/351593768.db2.gz MHOIQYVSAHGBOQ-IUCAKERBSA-N 1 0 214.359 2.429 10 0 BEAERO Cn1c(N)c(CC(C)(C)C)[nH+]c1C1CC1 ZINC000105064881 180616475 /nfs/dbraw/zinc/61/64/75/180616475.db2.gz QYBAUVATVDPGTA-UHFFFAOYSA-N 1 0 207.321 2.468 10 0 BEAERO CC[C@H](CC(=O)N1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000637798437 351626339 /nfs/dbraw/zinc/62/63/39/351626339.db2.gz YBSOTPKNMXYGNF-NEPJUHHUSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1nc(C(=O)[C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000307253605 351781112 /nfs/dbraw/zinc/78/11/12/351781112.db2.gz VRPPOUFRHOOJOS-BDAKNGLRSA-N 1 0 224.329 2.009 10 0 BEAERO C[C@@H]([NH3+])c1cnn(Cc2ccsc2)c1 ZINC000307255322 351791566 /nfs/dbraw/zinc/79/15/66/351791566.db2.gz ARJIHZPAGHTFBY-MRVPVSSYSA-N 1 0 207.302 2.013 10 0 BEAERO [NH3+][C@H](C1=CCCCO1)C1CC(F)(F)C1 ZINC000307247963 351756965 /nfs/dbraw/zinc/75/69/65/351756965.db2.gz NBFAYSADVXTFCX-VIFPVBQESA-N 1 0 203.232 2.053 10 0 BEAERO C([NH2+][C@@H]1COC[C@@H]1C1CC1)C1CCCC1 ZINC000725269187 538101292 /nfs/dbraw/zinc/10/12/92/538101292.db2.gz FINKIIZPLAKUDT-CHWSQXEVSA-N 1 0 209.333 2.191 10 0 BEAERO Cn1cc(C[NH2+]CCC2CCCC2)cn1 ZINC000037739613 180648661 /nfs/dbraw/zinc/64/86/61/180648661.db2.gz QLKLSPJMLRPOMJ-UHFFFAOYSA-N 1 0 207.321 2.090 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289313696 187536341 /nfs/dbraw/zinc/53/63/41/187536341.db2.gz SIKGPMIQVWKDIR-DTWKUNHWSA-N 1 0 228.361 2.331 10 0 BEAERO C[NH2+]Cc1cc2c(cc1Br)OCC2 ZINC000307314588 351989674 /nfs/dbraw/zinc/98/96/74/351989674.db2.gz LIDUJOIZYNZFOP-UHFFFAOYSA-N 1 0 242.116 2.103 10 0 BEAERO C[C@H](C[NH3+])C(=O)c1c(F)cccc1Cl ZINC000307319448 351998565 /nfs/dbraw/zinc/99/85/65/351998565.db2.gz NOZGYYRKJONKLS-ZCFIWIBFSA-N 1 0 215.655 2.257 10 0 BEAERO Cc1nc(-c2cnc(C[NH3+])s2)cs1 ZINC000307341595 352091230 /nfs/dbraw/zinc/09/12/30/352091230.db2.gz VEAKRNLGSWJUPX-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO C1=C[C@H]2C[C@@H]1C[C@@H]2[NH2+]C[C@H]1CCCS1 ZINC000307348171 352112430 /nfs/dbraw/zinc/11/24/30/352112430.db2.gz QWWBFEGNWURSHF-KXNHARMFSA-N 1 0 209.358 2.436 10 0 BEAERO CC[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C(C)(C)C ZINC000638333901 352152323 /nfs/dbraw/zinc/15/23/23/352152323.db2.gz VXIREEUVPYFAFX-IJLUTSLNSA-N 1 0 240.391 2.254 10 0 BEAERO [NH3+]Cc1cn(C(F)F)c2c1CC[C@@H](F)C2 ZINC000536953908 538102329 /nfs/dbraw/zinc/10/23/29/538102329.db2.gz LLYFUILEXYNKDJ-SSDOTTSWSA-N 1 0 218.222 2.169 10 0 BEAERO CC1(C(=O)Nc2cccc3c2CC[C@H]3[NH3+])CC1 ZINC000725270694 538102415 /nfs/dbraw/zinc/10/24/15/538102415.db2.gz CUHCXWHRAOMWDP-LLVKDONJSA-N 1 0 230.311 2.371 10 0 BEAERO COc1ccc(-c2cnc(C[NH3+])s2)s1 ZINC000307355668 352323754 /nfs/dbraw/zinc/32/37/54/352323754.db2.gz YLWMOMKNVZIHIB-UHFFFAOYSA-N 1 0 226.326 2.339 10 0 BEAERO C[NH2+]CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000725270704 538102763 /nfs/dbraw/zinc/10/27/63/538102763.db2.gz RESHCERPCSJCBN-WDEREUQCSA-N 1 0 242.363 2.289 10 0 BEAERO [NH3+][C@H]1CCc2c1cccc2NC(=O)C1CCC1 ZINC000725271159 538103275 /nfs/dbraw/zinc/10/32/75/538103275.db2.gz ICGWQDZSQZJFOM-LBPRGKRZSA-N 1 0 230.311 2.371 10 0 BEAERO C1CC([NH2+][C@@H]2CCC[C@@]34C[C@@H](CO3)[C@H]24)C1 ZINC000725271445 538103035 /nfs/dbraw/zinc/10/30/35/538103035.db2.gz NDHFSGWMRXXHRX-SQNXGDPESA-N 1 0 207.317 2.086 10 0 BEAERO CCCNC(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725271689 538103489 /nfs/dbraw/zinc/10/34/89/538103489.db2.gz RBHXTGUIUPJYOS-LLVKDONJSA-N 1 0 233.315 2.164 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])[C@@H]1CCCC(C)(C)C1 ZINC000725271895 538103515 /nfs/dbraw/zinc/10/35/15/538103515.db2.gz DSENLHVQWIPYFR-MNOVXSKESA-N 1 0 227.348 2.483 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@@H]1CC=CCC1 ZINC000638601474 352436598 /nfs/dbraw/zinc/43/65/98/352436598.db2.gz QJTJKWYHVGUFGW-CHWSQXEVSA-N 1 0 238.375 2.222 10 0 BEAERO CCCC[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000037319401 358471430 /nfs/dbraw/zinc/47/14/30/358471430.db2.gz KPRPPAHDDVWAQK-UNXYVOJBSA-N 1 0 226.364 2.199 10 0 BEAERO COc1cncc(C2=CC[C@](C)([NH3+])CC2)c1 ZINC000725271742 538103693 /nfs/dbraw/zinc/10/36/93/538103693.db2.gz BOFBLAICGDLLIT-ZDUSSCGKSA-N 1 0 218.300 2.375 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000638632311 352472034 /nfs/dbraw/zinc/47/20/34/352472034.db2.gz WLHSSYLBPSDCIX-LPEHRKFASA-N 1 0 248.317 2.006 10 0 BEAERO CC(C)(C)[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271587 538103547 /nfs/dbraw/zinc/10/35/47/538103547.db2.gz QCDDXZVUSJVBFA-WGBDABJCSA-N 1 0 209.333 2.332 10 0 BEAERO CC(C)CNC(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725271610 538103548 /nfs/dbraw/zinc/10/35/48/538103548.db2.gz QSKQFWLVYUIWII-LBPRGKRZSA-N 1 0 247.342 2.410 10 0 BEAERO C[NH2+]C[C@@]1(C)CC[C@@](C)(C(F)(F)F)O1 ZINC000307387323 352547991 /nfs/dbraw/zinc/54/79/91/352547991.db2.gz CLKWOCCZWZNHAE-SFYZADRCSA-N 1 0 211.227 2.096 10 0 BEAERO CCCc1ccc([C@@H]2CC[NH2+]C[C@H]2N)cc1 ZINC000725272759 538104150 /nfs/dbraw/zinc/10/41/50/538104150.db2.gz UXVXUJLMGUSDCS-UONOGXRCSA-N 1 0 218.344 2.043 10 0 BEAERO Cn1ccnc1S[C@H](C[NH3+])c1ccsc1 ZINC000043125801 180753572 /nfs/dbraw/zinc/75/35/72/180753572.db2.gz VKUJIUKIXPXDLO-SECBINFHSA-N 1 0 239.369 2.274 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@]2(C)C[C@H]2F)sn1 ZINC000307436302 352596098 /nfs/dbraw/zinc/59/60/98/352596098.db2.gz SWOMZABUAJWAIV-VGMNWLOBSA-N 1 0 200.282 2.199 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](SC(C)(C)CO)C1 ZINC000307447352 352602923 /nfs/dbraw/zinc/60/29/23/352602923.db2.gz IYCNDVOCXNFMFY-OPRDCNLKSA-N 1 0 217.378 2.006 10 0 BEAERO O[C@@H](Cc1sccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000307466132 352616033 /nfs/dbraw/zinc/61/60/33/352616033.db2.gz ANFSCPNNXLTCSP-IUCAKERBSA-N 1 0 231.748 2.057 10 0 BEAERO CSC1CC[NH+]([C@@H]2CCCC(=O)C2)CC1 ZINC000300888764 352577522 /nfs/dbraw/zinc/57/75/22/352577522.db2.gz UFSRUEVXXUMFQW-SNVBAGLBSA-N 1 0 227.373 2.326 10 0 BEAERO c1ccc(CNCC[NH2+]CCC2CC2)cc1 ZINC000307483957 352619858 /nfs/dbraw/zinc/61/98/58/352619858.db2.gz SWYKIIUYWLANJR-UHFFFAOYSA-N 1 0 218.344 2.166 10 0 BEAERO CC[NH2+]Cc1cc(Br)co1 ZINC000307554529 352648748 /nfs/dbraw/zinc/64/87/48/352648748.db2.gz SGTGZDPXOLBEJJ-UHFFFAOYSA-N 1 0 204.067 2.152 10 0 BEAERO CC(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000037264811 187769000 /nfs/dbraw/zinc/76/90/00/187769000.db2.gz WDSWQKCRJJAMIJ-RYUDHWBXSA-N 1 0 240.391 2.458 10 0 BEAERO Nc1cc[nH+]cc1OCc1cccs1 ZINC000307568753 352657261 /nfs/dbraw/zinc/65/72/61/352657261.db2.gz WJXOJNRGQJFGDH-UHFFFAOYSA-N 1 0 206.270 2.304 10 0 BEAERO CC(C)(C)[C@H](C[NH3+])n1cc(Cl)cn1 ZINC000043294965 187777808 /nfs/dbraw/zinc/77/78/08/187777808.db2.gz NDNCQGDGOXHUHG-QMMMGPOBSA-N 1 0 201.701 2.082 10 0 BEAERO Cc1[nH+]ccc(N2CCC(=O)CC2)c1Cl ZINC000307612093 352670034 /nfs/dbraw/zinc/67/00/34/352670034.db2.gz KCFXSFLPBKTYAG-UHFFFAOYSA-N 1 0 224.691 2.213 10 0 BEAERO Cc1nn(Cc2ccoc2C[NH3+])c(C)c1Cl ZINC000052573883 187781997 /nfs/dbraw/zinc/78/19/97/187781997.db2.gz GVNVFANXXIFIPW-UHFFFAOYSA-N 1 0 239.706 2.253 10 0 BEAERO [NH3+][C@@H]1CC[C@H](Nc2nc(Cl)cs2)C1 ZINC000307500709 352627840 /nfs/dbraw/zinc/62/78/40/352627840.db2.gz UKCWTHJPAWLRJC-RITPCOANSA-N 1 0 217.725 2.088 10 0 BEAERO C[C@]1(CC[NH3+])CC[C@@H](c2cscn2)O1 ZINC000307501655 352629414 /nfs/dbraw/zinc/62/94/14/352629414.db2.gz NDQVZOVGONZJJY-VHSXEESVSA-N 1 0 212.318 2.102 10 0 BEAERO [NH3+]C1(c2ncnc3ccsc32)CCC1 ZINC000307516037 352632974 /nfs/dbraw/zinc/63/29/74/352632974.db2.gz GAIBQZAIGNDVSV-UHFFFAOYSA-N 1 0 205.286 2.029 10 0 BEAERO CC1(C)CN(C[C@@H]([NH3+])c2cccs2)C1 ZINC000307518641 352633006 /nfs/dbraw/zinc/63/30/06/352633006.db2.gz LGYNLKSJWKIZCM-SECBINFHSA-N 1 0 210.346 2.090 10 0 BEAERO [NH3+]C[C@]1(C[C@H]2CCCCO2)CCCS1 ZINC000307523358 352634431 /nfs/dbraw/zinc/63/44/31/352634431.db2.gz IGXIHHKMPUEDNV-GHMZBOCLSA-N 1 0 215.362 2.170 10 0 BEAERO Cc1cc(O)cc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000638756129 352690096 /nfs/dbraw/zinc/69/00/96/352690096.db2.gz GDSBWVCPQGEDGU-LLVKDONJSA-N 1 0 248.326 2.029 10 0 BEAERO Cc1cc(O)cc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000638756136 352690281 /nfs/dbraw/zinc/69/02/81/352690281.db2.gz GDSBWVCPQGEDGU-NSHDSACASA-N 1 0 248.326 2.029 10 0 BEAERO CSC1([C@@H]2[NH2+][C@@H](C)CS2)CCC1 ZINC000307626769 352707504 /nfs/dbraw/zinc/70/75/04/352707504.db2.gz IALHFJRWSBCCSS-JGVFFNPUSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccnc(Cl)n1 ZINC000307628401 352708692 /nfs/dbraw/zinc/70/86/92/352708692.db2.gz UAUDBAJWKQTXHR-DTWKUNHWSA-N 1 0 225.723 2.360 10 0 BEAERO C/C(=C/c1occc1Br)C[NH3+] ZINC000232458022 352678451 /nfs/dbraw/zinc/67/84/51/352678451.db2.gz PINKFFSMDRBDNM-XQRVVYSFSA-N 1 0 216.078 2.404 10 0 BEAERO Cc1cccc([S@@](=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000083308795 187796511 /nfs/dbraw/zinc/79/65/11/187796511.db2.gz PTDYQKIQSYNOKV-MLGOLLRUSA-N 1 0 237.368 2.102 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccsc2Cl)C1 ZINC000307636107 352724028 /nfs/dbraw/zinc/72/40/28/352724028.db2.gz TXKBYZKVBKBUED-SSDOTTSWSA-N 1 0 216.737 2.200 10 0 BEAERO Cc1ccc(C[NH3+])cc1OC(F)(F)F ZINC000307663021 352748168 /nfs/dbraw/zinc/74/81/68/352748168.db2.gz IGUSEDSMRKEZSD-UHFFFAOYSA-N 1 0 205.179 2.352 10 0 BEAERO [NH3+]CC1CCC(C(=O)c2ccsn2)CC1 ZINC000307670736 352749609 /nfs/dbraw/zinc/74/96/09/352749609.db2.gz VIZAPNLQEVACTI-UHFFFAOYSA-N 1 0 224.329 2.091 10 0 BEAERO CC(C)=CC[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000232631228 187838652 /nfs/dbraw/zinc/83/86/52/187838652.db2.gz AIQIODAPTPGPDS-LBPRGKRZSA-N 1 0 232.327 2.308 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CCCCC1 ZINC000055091714 1172154466 /nfs/dbraw/zinc/15/44/66/1172154466.db2.gz CNZAVNOZPHDIQD-WCQYABFASA-N 1 0 238.375 2.343 10 0 BEAERO OCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000334191390 352782150 /nfs/dbraw/zinc/78/21/50/352782150.db2.gz JTRWVEFUVHOAOK-KBPBESRZSA-N 1 0 217.312 2.163 10 0 BEAERO CCC[C@H](C(=O)NCC(CC)CC)[NH+](C)C ZINC000152708403 538105752 /nfs/dbraw/zinc/10/57/52/538105752.db2.gz LNKYICZHIWKQCZ-GFCCVEGCSA-N 1 0 228.380 2.269 10 0 BEAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CCC(C)C)C1 ZINC000092052831 538105983 /nfs/dbraw/zinc/10/59/83/538105983.db2.gz XDETXDOIJWTREI-UONOGXRCSA-N 1 0 242.407 2.121 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055086507 1172155034 /nfs/dbraw/zinc/15/50/34/1172155034.db2.gz ADKNHPGYRXNELK-NWDGAFQWSA-N 1 0 226.364 2.153 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC12CC2 ZINC000638804061 352978389 /nfs/dbraw/zinc/97/83/89/352978389.db2.gz AQZQFTYRUCNKII-SDDRHHMPSA-N 1 0 238.375 2.056 10 0 BEAERO CCCCCN(C)c1c(C[NH2+]C)c(C)nn1C ZINC000037171961 168686839 /nfs/dbraw/zinc/68/68/39/168686839.db2.gz DKKJKQUJYZILPC-UHFFFAOYSA-N 1 0 238.379 2.074 10 0 BEAERO CCn1cc[nH+]c1N[C@@H](C)C(F)(F)F ZINC000306567157 353025721 /nfs/dbraw/zinc/02/57/21/353025721.db2.gz ZKPYSCQOXACJQP-LURJTMIESA-N 1 0 207.199 2.266 10 0 BEAERO CC[C@](C)(NC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000638857835 353034505 /nfs/dbraw/zinc/03/45/05/353034505.db2.gz IRHYYURLYQKIOI-SUHUHFCYSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@@](C)(NC(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000638858794 353035602 /nfs/dbraw/zinc/03/56/02/353035602.db2.gz VYHUXOXSEGWPIV-SMDDNHRTSA-N 1 0 238.375 2.071 10 0 BEAERO CC[C@](C)(NC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000638858674 353035612 /nfs/dbraw/zinc/03/56/12/353035612.db2.gz VEMSYBIVRQQFRM-OCCSQVGLSA-N 1 0 238.375 2.214 10 0 BEAERO CC(C)(C)OC(=O)N1CCC[C@@]12CC[C@H]([NH3+])C2 ZINC000307290075 323948797 /nfs/dbraw/zinc/94/87/97/323948797.db2.gz ZVJHYQSIDJVEIE-GWCFXTLKSA-N 1 0 240.347 2.267 10 0 BEAERO C/C(=C/Cl)CN1C[C@@H](C)[NH2+]CC1(C)C ZINC000393672500 353005890 /nfs/dbraw/zinc/00/58/90/353005890.db2.gz LZYIKVQPFJZASH-HYHWUIIZSA-N 1 0 216.756 2.201 10 0 BEAERO C[NH2+]Cc1nc2c(ccc(Cl)c2F)[nH]1 ZINC000306391486 353008914 /nfs/dbraw/zinc/00/89/14/353008914.db2.gz DXSOZQAKCVPMFI-UHFFFAOYSA-N 1 0 213.643 2.075 10 0 BEAERO C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H]1C[NH3+] ZINC000638889274 353057899 /nfs/dbraw/zinc/05/78/99/353057899.db2.gz ZYKHBAYUDYNVII-DGCLKSJQSA-N 1 0 238.375 2.010 10 0 BEAERO CCC1(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000638890266 353058686 /nfs/dbraw/zinc/05/86/86/353058686.db2.gz DHXNSFCDWDTNBM-NEPJUHHUSA-N 1 0 238.375 2.010 10 0 BEAERO CCC1(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000638890268 353058784 /nfs/dbraw/zinc/05/87/84/353058784.db2.gz DHXNSFCDWDTNBM-RYUDHWBXSA-N 1 0 238.375 2.010 10 0 BEAERO CCCC(CCC)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638898530 353061248 /nfs/dbraw/zinc/06/12/48/353061248.db2.gz ATZZSRFHYOXZKM-YPMHNXCESA-N 1 0 240.391 2.256 10 0 BEAERO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)cs1 ZINC000307274565 353065870 /nfs/dbraw/zinc/06/58/70/353065870.db2.gz NPZGQSUBNNYIGN-NSHDSACASA-N 1 0 210.346 2.232 10 0 BEAERO Cc1nc(C)c([C@@H]2[NH2+][C@@H](C)CS2)s1 ZINC000307444267 353076965 /nfs/dbraw/zinc/07/69/65/353076965.db2.gz UROXZLCLRHYNGS-SSDLBLMSSA-N 1 0 214.359 2.483 10 0 BEAERO FCCC[N@@H+]1CCS[C@H]2CCC[C@H]21 ZINC000306789682 353038425 /nfs/dbraw/zinc/03/84/25/353038425.db2.gz UFVSNFNHSBENPQ-ZJUUUORDSA-N 1 0 203.326 2.316 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000638864874 353038508 /nfs/dbraw/zinc/03/85/08/353038508.db2.gz CRUCJHUANCVEPO-CQSZACIVSA-N 1 0 240.391 2.461 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638865419 353039042 /nfs/dbraw/zinc/03/90/42/353039042.db2.gz GLBCEAXYFQSXNJ-WDEREUQCSA-N 1 0 226.364 2.056 10 0 BEAERO C[C@@H]1CN(C(=O)CC2CCCCC2)C[C@@H]1C[NH3+] ZINC000638883826 353050761 /nfs/dbraw/zinc/05/07/61/353050761.db2.gz BJSLXCRAHQDREK-YPMHNXCESA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1CN(C(=O)C2CCCCCC2)C[C@@H]1C[NH3+] ZINC000638886180 353053472 /nfs/dbraw/zinc/05/34/72/353053472.db2.gz GVDQXIJLHCEGMG-YPMHNXCESA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H]1CN(C(=O)C2CCCCCC2)C[C@H]1C[NH3+] ZINC000638886179 353053535 /nfs/dbraw/zinc/05/35/35/353053535.db2.gz GVDQXIJLHCEGMG-WCQYABFASA-N 1 0 238.375 2.010 10 0 BEAERO [NH3+]C[C@]1(C[C@@H]2CCCCO2)CCCS1 ZINC000307523368 353080516 /nfs/dbraw/zinc/08/05/16/353080516.db2.gz IGXIHHKMPUEDNV-WDEREUQCSA-N 1 0 215.362 2.170 10 0 BEAERO Cn1nccc1C[NH2+]CC1CCCCC1 ZINC000035273525 180843382 /nfs/dbraw/zinc/84/33/82/180843382.db2.gz XEHMUQAEEDWNOT-UHFFFAOYSA-N 1 0 207.321 2.090 10 0 BEAERO C[C@@H]1CN(C(=[NH2+])NCc2ccccc2)CCS1 ZINC000307709558 353100427 /nfs/dbraw/zinc/10/04/27/353100427.db2.gz MTQNVORYCJDACW-LLVKDONJSA-N 1 0 249.383 2.148 10 0 BEAERO CC(C)C1CC[NH+]([C@H]2CCCC2=O)CC1 ZINC000232545159 353121925 /nfs/dbraw/zinc/12/19/25/353121925.db2.gz QNECTUBFXOEXKN-LBPRGKRZSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CCO[C@@H]2C)cs1 ZINC000129473101 353135543 /nfs/dbraw/zinc/13/55/43/353135543.db2.gz QBJNZHDCTBRPMH-MIMYLULJSA-N 1 0 211.330 2.481 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CO[C@@H](C)C2)cs1 ZINC000129493714 353139965 /nfs/dbraw/zinc/13/99/65/353139965.db2.gz UAYATSAUHPJZIT-OVYXKVPISA-N 1 0 211.330 2.481 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)c2nccn21 ZINC000329285659 538108791 /nfs/dbraw/zinc/10/87/91/538108791.db2.gz OYEOJBASMVQAPI-LPWJVIDDSA-N 1 0 249.358 2.030 10 0 BEAERO [NH3+]Cc1cc(Br)nc2ccccc12 ZINC000536957556 323968527 /nfs/dbraw/zinc/96/85/27/323968527.db2.gz FGFLNJDXLNBOEB-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO CC(C)n1ccc([C@H]2[NH2+]C[C@]23CCOC3)c1 ZINC000536959475 323971993 /nfs/dbraw/zinc/97/19/93/323971993.db2.gz KPEZWJHBOSQLCB-OLZOCXBDSA-N 1 0 220.316 2.120 10 0 BEAERO CC(C)(C)[C@H](CO)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000287857420 188095535 /nfs/dbraw/zinc/09/55/35/188095535.db2.gz RMACDZMEUWXVBJ-JSGCOSHPSA-N 1 0 233.355 2.323 10 0 BEAERO CC(C)(C)c1ccc2oc([C@@H](O)C[NH3+])nc2c1 ZINC000076166951 188097543 /nfs/dbraw/zinc/09/75/43/188097543.db2.gz PRDFQNZRSLDNQY-JTQLQIEISA-N 1 0 234.299 2.117 10 0 BEAERO CC(C)c1csc(NC(=O)[C@H]([NH3+])C(C)C)n1 ZINC000049237240 353161222 /nfs/dbraw/zinc/16/12/22/353161222.db2.gz JHHICUNNIRRRIP-SECBINFHSA-N 1 0 241.360 2.188 10 0 BEAERO COc1ccccc1NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019430429 188108060 /nfs/dbraw/zinc/10/80/60/188108060.db2.gz YYXFZCNXRFNKQD-GHMZBOCLSA-N 1 0 248.326 2.022 10 0 BEAERO CC(C)(C)c1ccc(OC[C@](C)(O)C[NH3+])cc1 ZINC000019668003 188108106 /nfs/dbraw/zinc/10/81/06/188108106.db2.gz KSCSDPYPKNRLBG-CQSZACIVSA-N 1 0 237.343 2.073 10 0 BEAERO [NH3+]Cc1ccccc1OCCc1ccccn1 ZINC000020352409 188108542 /nfs/dbraw/zinc/10/85/42/188108542.db2.gz RDMSRQFQNCBTGL-UHFFFAOYSA-N 1 0 228.295 2.162 10 0 BEAERO [NH3+]Cc1ccccc1-n1ccc(C(F)(F)F)n1 ZINC000020352373 188108607 /nfs/dbraw/zinc/10/86/07/188108607.db2.gz WTOMLYNJKIZSIH-UHFFFAOYSA-N 1 0 241.216 2.350 10 0 BEAERO COc1ccc([C@H](CN)[N@H+](C)CC(C)C)cc1 ZINC000020225879 188108877 /nfs/dbraw/zinc/10/88/77/188108877.db2.gz UQEISUBSXJNOJA-AWEZNQCLSA-N 1 0 236.359 2.283 10 0 BEAERO Cc1ccc([C@H]([NH3+])CN2CCO[C@H](C)C2)c(C)c1 ZINC000023067277 188108995 /nfs/dbraw/zinc/10/89/95/188108995.db2.gz NYTVHRASWMQFDP-UKRRQHHQSA-N 1 0 248.370 2.024 10 0 BEAERO CC(C)Cc1ccc([C@H]([NH3+])CCO)cc1 ZINC000071510686 188113938 /nfs/dbraw/zinc/11/39/38/188113938.db2.gz HLAQDBXAZQWHPF-CYBMUJFWSA-N 1 0 207.317 2.267 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000042592427 188121011 /nfs/dbraw/zinc/12/10/11/188121011.db2.gz ATUYFYDWRKHLKL-RWMBFGLXSA-N 1 0 240.391 2.410 10 0 BEAERO COc1ccc([C@H]([C@H](C)[NH3+])n2ccnc2C)cc1 ZINC000042962256 188121458 /nfs/dbraw/zinc/12/14/58/188121458.db2.gz WFAXUOJDAOAUIG-HZMBPMFUSA-N 1 0 245.326 2.137 10 0 BEAERO Cc1cc(C)n([C@@H](c2ccccc2)[C@@H](C)[NH3+])n1 ZINC000042902737 188122006 /nfs/dbraw/zinc/12/20/06/188122006.db2.gz LLQBJEZFFJRNRW-TZMCWYRMSA-N 1 0 229.327 2.437 10 0 BEAERO CC(C)C[C@H](C)N(C)[C@@H](C[NH3+])c1ccccn1 ZINC000088324920 188144281 /nfs/dbraw/zinc/14/42/81/188144281.db2.gz DRLNGEHRTXRBAF-JSGCOSHPSA-N 1 0 235.375 2.448 10 0 BEAERO CC(C)N(C[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000095088179 188145576 /nfs/dbraw/zinc/14/55/76/188145576.db2.gz OXJQYKMAIYRWNY-SECBINFHSA-N 1 0 224.270 2.359 10 0 BEAERO Cc1ccc(C)c(C[NH2+]CCc2nccn2C)c1 ZINC000049670309 188125366 /nfs/dbraw/zinc/12/53/66/188125366.db2.gz YGTZLBNVMLKFLO-UHFFFAOYSA-N 1 0 243.354 2.369 10 0 BEAERO COc1ccc([C@H](CCC[NH3+])OC)cc1 ZINC000049814576 188125517 /nfs/dbraw/zinc/12/55/17/188125517.db2.gz PVDUSGPXLIKEEM-LBPRGKRZSA-N 1 0 209.289 2.122 10 0 BEAERO COc1ccc(CC2C[NH2+]C2)cc1Cl ZINC000049815060 188125533 /nfs/dbraw/zinc/12/55/33/188125533.db2.gz LEZULHNBJLCTBD-UHFFFAOYSA-N 1 0 211.692 2.111 10 0 BEAERO C[NH2+][C@@H]1CCN(CCc2ccsc2)[C@H](C)C1 ZINC000049713601 188125705 /nfs/dbraw/zinc/12/57/05/188125705.db2.gz PTIDRIHEKABQRC-DGCLKSJQSA-N 1 0 238.400 2.363 10 0 BEAERO CC(C)(CO)[NH2+]Cc1c[nH]c2ccccc12 ZINC000052684408 188126088 /nfs/dbraw/zinc/12/60/88/188126088.db2.gz YNKUMFFDWFSPPL-UHFFFAOYSA-N 1 0 218.300 2.028 10 0 BEAERO COc1ccc(OC2CCC([NH3+])CC2)cc1 ZINC000055144016 188126887 /nfs/dbraw/zinc/12/68/87/188126887.db2.gz IULDHLAIGWJJOM-UHFFFAOYSA-N 1 0 221.300 2.344 10 0 BEAERO Brc1nccn1-c1cc[nH+]cc1 ZINC000075842567 188132524 /nfs/dbraw/zinc/13/25/24/188132524.db2.gz IYGZYQZTJWUKBO-UHFFFAOYSA-N 1 0 224.061 2.030 10 0 BEAERO CC(C)[C@H](CC[NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000076634155 188134258 /nfs/dbraw/zinc/13/42/58/188134258.db2.gz JNLPGLGAEOUZKN-JSGCOSHPSA-N 1 0 248.370 2.485 10 0 BEAERO CC(C)(C[NH3+])CCc1ccc2c(c1)OCCO2 ZINC000077371231 188136897 /nfs/dbraw/zinc/13/68/97/188136897.db2.gz KJZPCBMWFYUIAW-UHFFFAOYSA-N 1 0 235.327 2.375 10 0 BEAERO CC[C@@H]1CN(Cc2ccccc2)CCC[NH2+]1 ZINC000082367950 188138634 /nfs/dbraw/zinc/13/86/34/188138634.db2.gz CVMQAWVOJPHXOU-CQSZACIVSA-N 1 0 218.344 2.261 10 0 BEAERO CC(C)c1n[nH]cc1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000045245635 188152183 /nfs/dbraw/zinc/15/21/83/188152183.db2.gz CZOVNUICRFQWIP-FGNRJIRKSA-N 1 0 219.332 2.230 10 0 BEAERO COc1ccc(C[N@H+](C)CCC(C)=O)cc1 ZINC000047979674 188152909 /nfs/dbraw/zinc/15/29/09/188152909.db2.gz JOGKQNADDSTGIS-UHFFFAOYSA-N 1 0 221.300 2.106 10 0 BEAERO CNc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000050891512 188154422 /nfs/dbraw/zinc/15/44/22/188154422.db2.gz KLBIKGSXHBLUNY-UHFFFAOYSA-N 1 0 217.194 2.031 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1csc(C)c1 ZINC000638995241 353236366 /nfs/dbraw/zinc/23/63/66/353236366.db2.gz YWUFIEZDEUJONU-OIBJUYFYSA-N 1 0 226.345 2.368 10 0 BEAERO CC1(C)C[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000309101447 188166277 /nfs/dbraw/zinc/16/62/77/188166277.db2.gz FYDCFJDUBXQLGD-MWLCHTKSSA-N 1 0 205.305 2.175 10 0 BEAERO CC(C)[NH+]1CCC(=Cc2c[nH]cn2)CC1 ZINC000013612851 188166637 /nfs/dbraw/zinc/16/66/37/188166637.db2.gz XKODEEQXNYDOBE-UHFFFAOYSA-N 1 0 205.305 2.297 10 0 BEAERO CC1(C)C=Cc2cc(CC[NH3+])ccc2O1 ZINC000015119493 188168716 /nfs/dbraw/zinc/16/87/16/188168716.db2.gz SVWOCURLYQHIEN-UHFFFAOYSA-N 1 0 203.285 2.372 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H]1C[C@@H]1C ZINC000336746238 188169212 /nfs/dbraw/zinc/16/92/12/188169212.db2.gz BSBDLEFAMGIKTJ-YNEHKIRRSA-N 1 0 212.381 2.208 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000309670071 188169633 /nfs/dbraw/zinc/16/96/33/188169633.db2.gz JMFBCUIFHDIUMO-RYUDHWBXSA-N 1 0 221.348 2.080 10 0 BEAERO CC(C)N(C)c1ccc(C[NH2+][C@@H]2C[C@H]2C)cn1 ZINC000190952194 188172896 /nfs/dbraw/zinc/17/28/96/188172896.db2.gz WUHSXTHIJSBBNV-DGCLKSJQSA-N 1 0 233.359 2.424 10 0 BEAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H]1C1CCCC1 ZINC000082327528 188173338 /nfs/dbraw/zinc/17/33/38/188173338.db2.gz YNUBABJYGCGTQO-MNOVXSKESA-N 1 0 240.347 2.123 10 0 BEAERO CC(C)([NH3+])c1noc(C2CCCCC2)n1 ZINC000041052850 188150085 /nfs/dbraw/zinc/15/00/85/188150085.db2.gz AGFARXRAIINBND-UHFFFAOYSA-N 1 0 209.293 2.311 10 0 BEAERO CC(C)C[C@H](C[NH3+])N(C)c1ccccc1 ZINC000022174694 188179789 /nfs/dbraw/zinc/17/97/89/188179789.db2.gz AQKVXSMCFWMGLU-CYBMUJFWSA-N 1 0 206.333 2.496 10 0 BEAERO C[NH2+][C@H]1COc2c1c(Br)ccc2F ZINC000126646226 353255778 /nfs/dbraw/zinc/25/57/78/353255778.db2.gz JBXILIQTGMGFPT-ZETCQYMHSA-N 1 0 246.079 2.241 10 0 BEAERO Cc1ccc(F)cc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401953190 353260396 /nfs/dbraw/zinc/26/03/96/353260396.db2.gz MNUDZLFGNGKVEY-HZMBPMFUSA-N 1 0 237.318 2.337 10 0 BEAERO C[NH2+][C@@H](C1=COCCC1)[C@H]1CCCS1 ZINC000160142313 353305359 /nfs/dbraw/zinc/30/53/59/353305359.db2.gz NYVVYKGTPIZUGA-MNOVXSKESA-N 1 0 213.346 2.164 10 0 BEAERO Cc1ccncc1C[NH2+]CC[C@@H]1CCCO1 ZINC000135454927 538115179 /nfs/dbraw/zinc/11/51/79/538115179.db2.gz ZHTFXWAMMZCZHW-ZDUSSCGKSA-N 1 0 220.316 2.049 10 0 BEAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000309523370 180936273 /nfs/dbraw/zinc/93/62/73/180936273.db2.gz ACRWWNFYHNJKHO-STQMWFEESA-N 1 0 227.323 2.451 10 0 BEAERO CC1(C)CCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131156454 353364093 /nfs/dbraw/zinc/36/40/93/353364093.db2.gz FKUAFALDSIRLHH-UHFFFAOYSA-N 1 0 244.338 2.304 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086954 353346113 /nfs/dbraw/zinc/34/61/13/353346113.db2.gz PPPLMQBTOXCPRZ-RWMBFGLXSA-N 1 0 238.375 2.295 10 0 BEAERO C[C@H]([NH2+]CCO)C1C2CC3CC(C2)CC1C3 ZINC000216546498 538115667 /nfs/dbraw/zinc/11/56/67/538115667.db2.gz MRCKPQWFJLAFMQ-FTPDJBBVSA-N 1 0 223.360 2.029 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000226587771 538116992 /nfs/dbraw/zinc/11/69/92/538116992.db2.gz CSKCYMUVTWQXBC-SYQHCUMBSA-N 1 0 241.375 2.083 10 0 BEAERO Fc1cc2nc([C@H]3CCC[NH2+]C3)[nH]c2cc1F ZINC000019407999 180957648 /nfs/dbraw/zinc/95/76/48/180957648.db2.gz MBAGPPJKVMTKRF-ZETCQYMHSA-N 1 0 237.253 2.308 10 0 BEAERO Fc1ccc(COC[C@H]2CCCC[NH2+]2)cc1 ZINC000028521898 180971890 /nfs/dbraw/zinc/97/18/90/180971890.db2.gz PFLHGMIGYMQVQN-CYBMUJFWSA-N 1 0 223.291 2.484 10 0 BEAERO COc1cc([C@H]2CC[NH2+]C2)cc(F)c1F ZINC000215654969 353529733 /nfs/dbraw/zinc/52/97/33/353529733.db2.gz YTPQHHDEAKDEBB-ZETCQYMHSA-N 1 0 213.227 2.050 10 0 BEAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000061824411 353541371 /nfs/dbraw/zinc/54/13/71/353541371.db2.gz KYEHNYPCCPZBNE-RYUDHWBXSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CC[C@H](Nc2ccc(C#N)cc2F)C[NH2+]1 ZINC000399014601 353585336 /nfs/dbraw/zinc/58/53/36/353585336.db2.gz DHWIFDILXITQGJ-ONGXEEELSA-N 1 0 233.290 2.250 10 0 BEAERO Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1[N+](=O)[O-] ZINC000399012067 353586841 /nfs/dbraw/zinc/58/68/41/353586841.db2.gz BZSPXDSPDJQNSJ-PWSUYJOCSA-N 1 0 249.314 2.456 10 0 BEAERO Fc1ccc([C@@H]2C[NH2+]CCCO2)c(F)c1 ZINC000035598761 180982010 /nfs/dbraw/zinc/98/20/10/180982010.db2.gz MZCUQTVAJPNIFI-NSHDSACASA-N 1 0 213.227 2.016 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000226933947 491053134 /nfs/dbraw/zinc/05/31/34/491053134.db2.gz IPUJXLLVRFYDLA-TUAOUCFPSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)Oc1ccccc1[C@@](C)(O)C[NH2+]C1CC1 ZINC000032104696 188466366 /nfs/dbraw/zinc/46/63/66/188466366.db2.gz WELXQRLJRSVNRT-HNNXBMFYSA-N 1 0 249.354 2.433 10 0 BEAERO Fc1ccc2[nH]c([C@H]3CCC[NH2+]C3)nc2c1F ZINC000076006063 180991342 /nfs/dbraw/zinc/99/13/42/180991342.db2.gz KWQGWUYTIDGHTR-ZETCQYMHSA-N 1 0 237.253 2.308 10 0 BEAERO CC(C)C[C@H](C)N(C)c1ncccc1C(N)=[NH2+] ZINC000042583865 188478006 /nfs/dbraw/zinc/47/80/06/188478006.db2.gz AAXFWNANCFKPQI-JTQLQIEISA-N 1 0 234.347 2.236 10 0 BEAERO CC(=[NH2+])Nc1ccc2nc(N)sc2c1 ZINC000045235852 188480238 /nfs/dbraw/zinc/48/02/38/188480238.db2.gz VNWBCMXJYVOGHB-UHFFFAOYSA-N 1 0 206.274 2.288 10 0 BEAERO Fc1cccc(CO[C@@H]2CCC[NH2+]C2)c1F ZINC000035781809 180997741 /nfs/dbraw/zinc/99/77/41/180997741.db2.gz XXHDEGGOQOIALX-SNVBAGLBSA-N 1 0 227.254 2.233 10 0 BEAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH+]1CCNCC1 ZINC000038086629 188472656 /nfs/dbraw/zinc/47/26/56/188472656.db2.gz LURJOSUBOSKIPC-OLZOCXBDSA-N 1 0 224.392 2.497 10 0 BEAERO Fc1cccc(NCc2c[nH]cn2)c1F ZINC000054765147 181001777 /nfs/dbraw/zinc/00/17/77/181001777.db2.gz XKGNLOZPSAPLAV-UHFFFAOYSA-N 1 0 209.199 2.300 10 0 BEAERO CC(C)C[C@H]([NH3+])c1ccc2c(c1)oc(=O)n2C ZINC000051362017 188482285 /nfs/dbraw/zinc/48/22/85/188482285.db2.gz SBOYQBMRVKFCNB-JTQLQIEISA-N 1 0 234.299 2.177 10 0 BEAERO Fc1ccccc1C[C@@H]1CSCC[NH2+]1 ZINC000071518269 181012570 /nfs/dbraw/zinc/01/25/70/181012570.db2.gz BHMVPZBCJYKVFA-SNVBAGLBSA-N 1 0 211.305 2.073 10 0 BEAERO CC(C)C[C@H](C[NH3+])CCC(=O)N1CCCCC1 ZINC000076622555 188492142 /nfs/dbraw/zinc/49/21/42/188492142.db2.gz OJDBVRRXLRVGTR-CYBMUJFWSA-N 1 0 240.391 2.400 10 0 BEAERO CC(C)C1(C[N@@H+]2CCC(=O)[C@@H](C)C2)CC1 ZINC000232614978 353740517 /nfs/dbraw/zinc/74/05/17/353740517.db2.gz KXHCYZYQNLTHHF-NSHDSACASA-N 1 0 209.333 2.334 10 0 BEAERO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399049691 353745256 /nfs/dbraw/zinc/74/52/56/353745256.db2.gz WITKIVIFZYEEFJ-MNOVXSKESA-N 1 0 249.314 2.456 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@@]2(CCCCO2)C1 ZINC000366833386 353927677 /nfs/dbraw/zinc/92/76/77/353927677.db2.gz KQFRDBZYBIRVDQ-AWEZNQCLSA-N 1 0 240.391 2.020 10 0 BEAERO CC(C)COCc1ccccc1C(N)=[NH2+] ZINC000019504717 188531630 /nfs/dbraw/zinc/53/16/30/188531630.db2.gz GYZRRCVNRXXGIF-UHFFFAOYSA-N 1 0 206.289 2.143 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]CC[C@@H]2CCOC2)C[C@H](C)O1 ZINC000343653808 353955160 /nfs/dbraw/zinc/95/51/60/353955160.db2.gz FYTVNVQAOHYHTO-XJFOESAGSA-N 1 0 241.375 2.206 10 0 BEAERO C[C@@H]1CC(C[NH2+]CC[C@H]2CCOC2)C[C@@H](C)O1 ZINC000343653807 353955171 /nfs/dbraw/zinc/95/51/71/353955171.db2.gz FYTVNVQAOHYHTO-UPJWGTAASA-N 1 0 241.375 2.206 10 0 BEAERO COc1ccc([C@H](C)C[NH2+]CCF)cc1 ZINC000280589285 188562877 /nfs/dbraw/zinc/56/28/77/188562877.db2.gz AZQXJTDGQUSISZ-SNVBAGLBSA-N 1 0 211.280 2.358 10 0 BEAERO CC[C@H]([NH2+]CC[C@H](O)C(F)(F)F)[C@@H]1C[C@H]1C ZINC000639171394 354136220 /nfs/dbraw/zinc/13/62/20/354136220.db2.gz BUWIPUVYVCRISP-IMSYWVGJSA-N 1 0 239.281 2.324 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@H]1c1cncc(Br)c1 ZINC000301028200 363340275 /nfs/dbraw/zinc/34/02/75/363340275.db2.gz SXJGPOABXDDPKE-RKDXNWHRSA-N 1 0 241.132 2.295 10 0 BEAERO CC(C)CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113225330 354253796 /nfs/dbraw/zinc/25/37/96/354253796.db2.gz GXAOYHOEWFSNKB-QWHCGFSZSA-N 1 0 238.375 2.118 10 0 BEAERO CCCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113230393 354310776 /nfs/dbraw/zinc/31/07/76/354310776.db2.gz SDAOAQVJAQZAHH-STQMWFEESA-N 1 0 238.375 2.262 10 0 BEAERO CC1(C)CCC[C@@H](C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000334662769 354462314 /nfs/dbraw/zinc/46/23/14/354462314.db2.gz UQMNUROGYBOKMU-NEPJUHHUSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)[C@H](O)C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000334710917 354507815 /nfs/dbraw/zinc/50/78/15/354507815.db2.gz ZRAXIFIHQZVGKD-VXGBXAGGSA-N 1 0 211.349 2.268 10 0 BEAERO [NH3+][C@H]1CCCCCC[C@@H]1OCC(F)F ZINC000130581761 363390676 /nfs/dbraw/zinc/39/06/76/363390676.db2.gz BKKYPVDGPBTVDG-IUCAKERBSA-N 1 0 207.264 2.318 10 0 BEAERO Cc1ccc(C(=O)[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000226482911 363391520 /nfs/dbraw/zinc/39/15/20/363391520.db2.gz CSGQJWLESNCGDU-IUCAKERBSA-N 1 0 209.314 2.367 10 0 BEAERO Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000226482906 363391927 /nfs/dbraw/zinc/39/19/27/363391927.db2.gz CSGQJWLESNCGDU-BDAKNGLRSA-N 1 0 209.314 2.367 10 0 BEAERO Cc1ccc(C(=O)[C@@H]2CCC[C@H]2[NH3+])s1 ZINC000226482916 363393975 /nfs/dbraw/zinc/39/39/75/363393975.db2.gz CSGQJWLESNCGDU-RKDXNWHRSA-N 1 0 209.314 2.367 10 0 BEAERO CC1(C)CCC[C@@H](C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000335144876 354852919 /nfs/dbraw/zinc/85/29/19/354852919.db2.gz CFHGFTAXQYJMCQ-NEPJUHHUSA-N 1 0 238.375 2.153 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000040502001 358492864 /nfs/dbraw/zinc/49/28/64/358492864.db2.gz XJSWZSNVUUKLSU-CQSZACIVSA-N 1 0 236.334 2.400 10 0 BEAERO c1cc2cc(CN[C@@H]3CC[NH2+]C3)ccc2s1 ZINC000335222543 355063602 /nfs/dbraw/zinc/06/36/02/355063602.db2.gz IDQDCNCSSBFVMU-GFCCVEGCSA-N 1 0 232.352 2.353 10 0 BEAERO CCN1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000040502461 358493885 /nfs/dbraw/zinc/49/38/85/358493885.db2.gz JELFVAGICDKGQI-KBPBESRZSA-N 1 0 222.376 2.417 10 0 BEAERO NC(=[NH2+])CCSc1nc2ccccc2o1 ZINC000019863679 181186448 /nfs/dbraw/zinc/18/64/48/181186448.db2.gz MUHPLSJMAUKWNP-UHFFFAOYSA-N 1 0 221.285 2.246 10 0 BEAERO CCC[NH2+]C[C@@H](C)C(=O)OCc1ccccc1 ZINC000233072001 355363011 /nfs/dbraw/zinc/36/30/11/355363011.db2.gz MAUQFDUVUKEFBK-GFCCVEGCSA-N 1 0 235.327 2.366 10 0 BEAERO NC(=[NH2+])c1ccc(-c2cn3ccccc3n2)cc1 ZINC000034213320 181193567 /nfs/dbraw/zinc/19/35/67/181193567.db2.gz FCPJCKFCKBZQKM-UHFFFAOYSA-N 1 0 236.278 2.285 10 0 BEAERO NC(=[NH2+])SCc1cccc(F)c1F ZINC000029336418 181192719 /nfs/dbraw/zinc/19/27/19/181192719.db2.gz WCBWIJKSOJFGDR-UHFFFAOYSA-N 1 0 202.229 2.091 10 0 BEAERO NC(=[NH2+])c1c(F)cccc1OCC(F)(F)F ZINC000036307581 181192963 /nfs/dbraw/zinc/19/29/63/181192963.db2.gz XHSGUWSXHZITGL-UHFFFAOYSA-N 1 0 236.168 2.051 10 0 BEAERO NC(=[NH2+])c1ccc2cccc(Cl)c2n1 ZINC000062620650 181195434 /nfs/dbraw/zinc/19/54/34/181195434.db2.gz KIUMZCOVDXHSHE-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1ccc(NC2CC2)cc1Cl ZINC000061856775 181195594 /nfs/dbraw/zinc/19/55/94/181195594.db2.gz YZFYBKFFSNLXDQ-UHFFFAOYSA-N 1 0 209.680 2.198 10 0 BEAERO NC(=[NH2+])c1cccc(OC2CCCC2)c1 ZINC000019474048 181195879 /nfs/dbraw/zinc/19/58/79/181195879.db2.gz JMUALTIVGGNHRV-UHFFFAOYSA-N 1 0 204.273 2.292 10 0 BEAERO NC(=[NH2+])c1cccnc1OCc1ccccc1F ZINC000062714634 181196080 /nfs/dbraw/zinc/19/60/80/181196080.db2.gz NRWFBWAJUQDNEW-UHFFFAOYSA-N 1 0 245.257 2.084 10 0 BEAERO NC(=[NH2+])c1ccccc1-n1cnc2ccccc21 ZINC000020076223 181196362 /nfs/dbraw/zinc/19/63/62/181196362.db2.gz DZHSJDOFOMXVES-UHFFFAOYSA-N 1 0 236.278 2.310 10 0 BEAERO NC(=[NH2+])c1ncccc1COc1ccccc1F ZINC000061658489 181197345 /nfs/dbraw/zinc/19/73/45/181197345.db2.gz CSBVHOZAIOUKFZ-UHFFFAOYSA-N 1 0 245.257 2.084 10 0 BEAERO NC(=[NH2+])c1nc(Cl)c(Cl)cc1Cl ZINC000071186727 181197661 /nfs/dbraw/zinc/19/76/61/181197661.db2.gz QXPJRXPXRBYZBM-UHFFFAOYSA-N 1 0 224.478 2.326 10 0 BEAERO NC(=[NH2+])c1nccc2cccc(Cl)c21 ZINC000082768633 181197689 /nfs/dbraw/zinc/19/76/89/181197689.db2.gz SGDFRFMMXRXXOW-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO C[C@H]1Oc2cc(F)c(Cl)cc2[C@@H]1[NH3+] ZINC000134375354 355593505 /nfs/dbraw/zinc/59/35/05/355593505.db2.gz FGGCTPMOWSXBBT-ALFREKQPSA-N 1 0 201.628 2.260 10 0 BEAERO Clc1cccc(C2(N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000215906469 355597359 /nfs/dbraw/zinc/59/73/59/355597359.db2.gz JBXRSTSLILNSKV-GFCCVEGCSA-N 1 0 236.746 2.281 10 0 BEAERO NC(=O)C1([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000335621009 181200945 /nfs/dbraw/zinc/20/09/45/181200945.db2.gz BLJOPBPPKUNIDZ-NSHDSACASA-N 1 0 216.284 2.331 10 0 BEAERO CC(C)(C)Nc1cc(C[NH3+])c(Cl)cn1 ZINC000166579552 355696879 /nfs/dbraw/zinc/69/68/79/355696879.db2.gz OYUVEAUWSAAUEF-UHFFFAOYSA-N 1 0 213.712 2.404 10 0 BEAERO [NH2+]=C1CCCCN1C[C@H]1Cc2ccccc2O1 ZINC000051086888 181206290 /nfs/dbraw/zinc/20/62/90/181206290.db2.gz RAMFJQDSRWDOOA-GFCCVEGCSA-N 1 0 230.311 2.453 10 0 BEAERO CC(C)SCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398761278 355756750 /nfs/dbraw/zinc/75/67/50/355756750.db2.gz CDRGZXGNXVTOJX-RWMBFGLXSA-N 1 0 243.416 2.221 10 0 BEAERO CCN1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389180669 355763642 /nfs/dbraw/zinc/76/36/42/355763642.db2.gz QHVWLFVHRUBEMP-QWHCGFSZSA-N 1 0 212.381 2.352 10 0 BEAERO Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC1 ZINC000381621253 355728141 /nfs/dbraw/zinc/72/81/41/355728141.db2.gz ZSLRGICEVMNHOV-SUZMYJTESA-N 1 0 221.275 2.060 10 0 BEAERO OC1CC(C[NH2+]CC2C3CC4CC(C3)CC2C4)C1 ZINC000639353966 355799547 /nfs/dbraw/zinc/79/95/47/355799547.db2.gz XINHGXKLHFHJSZ-UHFFFAOYSA-N 1 0 249.398 2.419 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2)C[NH2+]1 ZINC000399202903 355852050 /nfs/dbraw/zinc/85/20/50/355852050.db2.gz UUVCWWRDTRPOCP-MFKMUULPSA-N 1 0 215.300 2.111 10 0 BEAERO NC(=O)C1CCC([NH2+]C2CCCCCC2)CC1 ZINC000037152211 181216679 /nfs/dbraw/zinc/21/66/79/181216679.db2.gz DHMIXSSKZMOMAF-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000300208634 358499212 /nfs/dbraw/zinc/49/92/12/358499212.db2.gz CWHWUULYUCFIPA-HBNTYKKESA-N 1 0 242.363 2.288 10 0 BEAERO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399297790 355921664 /nfs/dbraw/zinc/92/16/64/355921664.db2.gz NZWAIOXLPBEFAY-SWLSCSKDSA-N 1 0 244.338 2.212 10 0 BEAERO C1CN2CCCC[C@@H]2[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000216483605 355995347 /nfs/dbraw/zinc/99/53/47/355995347.db2.gz KANUHZYSSMSOHQ-JHJVBQTASA-N 1 0 240.416 2.098 10 0 BEAERO CC[N@@H+]1CC[C@H](Nc2cc(C(C)C)ncn2)C1 ZINC000389326181 355966599 /nfs/dbraw/zinc/96/65/99/355966599.db2.gz HBCSHSJLXAAKNE-NSHDSACASA-N 1 0 234.347 2.106 10 0 BEAERO CC(C)(C)[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000336098666 134081051 /nfs/dbraw/zinc/08/10/51/134081051.db2.gz ZRRIOPZQNKICBS-RYUDHWBXSA-N 1 0 238.375 2.023 10 0 BEAERO CCC(F)(F)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000639489703 356306597 /nfs/dbraw/zinc/30/65/97/356306597.db2.gz SOUVJMAZHMDJNU-MNOVXSKESA-N 1 0 232.318 2.200 10 0 BEAERO CCC(F)(F)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000639532999 356383873 /nfs/dbraw/zinc/38/38/73/356383873.db2.gz MWJUQAVHPSMRNA-LLVKDONJSA-N 1 0 232.318 2.202 10 0 BEAERO [NH3+][C@H]1CCNc2c(Br)cccc21 ZINC000143763467 356472824 /nfs/dbraw/zinc/47/28/24/356472824.db2.gz FAJPIVIOBZXCRX-QMMMGPOBSA-N 1 0 227.105 2.265 10 0 BEAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1cccs1 ZINC000041672074 181278109 /nfs/dbraw/zinc/27/81/09/181278109.db2.gz KUPUQSIHFPTQGL-LLVKDONJSA-N 1 0 238.356 2.197 10 0 BEAERO C[C@@H]([NH3+])CN1CCCC[C@H]1c1nccs1 ZINC000336171831 134115514 /nfs/dbraw/zinc/11/55/14/134115514.db2.gz YEKXLJXSIDYUDW-ZJUUUORDSA-N 1 0 225.361 2.017 10 0 BEAERO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336195614 134125585 /nfs/dbraw/zinc/12/55/85/134125585.db2.gz WKTVMMLPXDGVFV-NWDGAFQWSA-N 1 0 246.345 2.448 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](c2ccccc2F)CO1 ZINC000675058577 538482476 /nfs/dbraw/zinc/48/24/76/538482476.db2.gz MJEZDZJSAXUQSM-VHSXEESVSA-N 1 0 209.264 2.047 10 0 BEAERO CCN1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000675055730 538476457 /nfs/dbraw/zinc/47/64/57/538476457.db2.gz XCRZSIVFQRADFW-CHWSQXEVSA-N 1 0 222.307 2.310 10 0 BEAERO Nc1cccc2c1C[NH2+]C[C@H]2C(F)(F)F ZINC000675056396 538478188 /nfs/dbraw/zinc/47/81/88/538478188.db2.gz PKRYYBUUOZLNJP-MRVPVSSYSA-N 1 0 216.206 2.018 10 0 BEAERO CCC[C@H](C)C(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056450 538478409 /nfs/dbraw/zinc/47/84/09/538478409.db2.gz QLAIKTOPFRKOLP-OUCADQQQSA-N 1 0 238.375 2.153 10 0 BEAERO CCC[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056647 538478921 /nfs/dbraw/zinc/47/89/21/538478921.db2.gz UMZQWGWXEOPSKY-YRGRVCCFSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@]1(C(F)(F)C(F)(F)F)CC[C@H](CC[NH3+])O1 ZINC000675056806 538479006 /nfs/dbraw/zinc/47/90/06/538479006.db2.gz PPRVONNKYJXZTI-RQJHMYQMSA-N 1 0 247.207 2.471 10 0 BEAERO CCCc1cn2c(n1)[C@@H](CC)[NH2+]CCC2 ZINC000675068146 538495957 /nfs/dbraw/zinc/49/59/57/538495957.db2.gz MZRVLEHOZOEZRG-LLVKDONJSA-N 1 0 207.321 2.280 10 0 BEAERO Cc1cn2c(n1)[C@@H](CC(C)C)[NH2+]CCC2 ZINC000675068376 538496473 /nfs/dbraw/zinc/49/64/73/538496473.db2.gz PRNLISKVSDINQX-LLVKDONJSA-N 1 0 207.321 2.272 10 0 BEAERO COc1nscc1[C@H]1CCC[C@H](C)[NH2+]1 ZINC000675059514 538484514 /nfs/dbraw/zinc/48/45/14/538484514.db2.gz QRSKRXJRXVHEOK-IONNQARKSA-N 1 0 212.318 2.355 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](c2ccc(F)cc2)CO1 ZINC000675060108 538485884 /nfs/dbraw/zinc/48/58/84/538485884.db2.gz AJEBGSWQZZEZRR-CMPLNLGQSA-N 1 0 209.264 2.047 10 0 BEAERO COc1nc2c(C)ccc(C)c2cc1C[NH3+] ZINC000675069976 538499432 /nfs/dbraw/zinc/49/94/32/538499432.db2.gz NOWRPSMJDXQTLJ-UHFFFAOYSA-N 1 0 216.284 2.319 10 0 BEAERO COc1nc2c(C)cc(C)cc2cc1C[NH3+] ZINC000675070213 538500937 /nfs/dbraw/zinc/50/09/37/538500937.db2.gz RPMCMMJTLWFOPC-UHFFFAOYSA-N 1 0 216.284 2.319 10 0 BEAERO CCOc1ccc2nc(OC)c(C[NH3+])cc2c1 ZINC000675070415 538502032 /nfs/dbraw/zinc/50/20/32/538502032.db2.gz XUAAAITZSILZIS-UHFFFAOYSA-N 1 0 232.283 2.101 10 0 BEAERO Cc1cc(Br)ccc1[C@@H](O)CC[NH3+] ZINC000083557826 538514362 /nfs/dbraw/zinc/51/43/62/538514362.db2.gz VQWTWDUMPJGUBQ-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO CCn1ncc2c1[C@H]1CCCC[C@H]1[NH2+]C2 ZINC000675081789 538522208 /nfs/dbraw/zinc/52/22/08/538522208.db2.gz LLQSTTIFLIUZLA-WDEREUQCSA-N 1 0 205.305 2.032 10 0 BEAERO COCC[NH2+]CC1CCC(F)(F)CC1 ZINC000127071159 538537960 /nfs/dbraw/zinc/53/79/60/538537960.db2.gz VJEJOISVIYONEQ-UHFFFAOYSA-N 1 0 207.264 2.048 10 0 BEAERO CC[C@H](C[NH3+])[C@@H](O)c1cc(Cl)cs1 ZINC000086334997 538553657 /nfs/dbraw/zinc/55/36/57/538553657.db2.gz QQWWIMBJMCLNSQ-HZGVNTEJSA-N 1 0 219.737 2.420 10 0 BEAERO CN(CCC[NH3+])c1ccc2ccccc2n1 ZINC000019834390 356706285 /nfs/dbraw/zinc/70/62/85/356706285.db2.gz WWSMEMOGVALGEH-UHFFFAOYSA-N 1 0 215.300 2.020 10 0 BEAERO CC[NH2+]C[C@H](CCOC)c1ccccc1 ZINC000083827228 538524181 /nfs/dbraw/zinc/52/41/81/538524181.db2.gz NIQUYPZMXRSYRS-ZDUSSCGKSA-N 1 0 207.317 2.416 10 0 BEAERO Cn1cnc2c1[C@H](C1CCCCC1)[NH2+]CC2 ZINC000084011971 538526028 /nfs/dbraw/zinc/52/60/28/538526028.db2.gz NVFLSSVVILPUBE-LBPRGKRZSA-N 1 0 219.332 2.187 10 0 BEAERO CC(C)(C)c1ccc(N2C[C@@H]([NH3+])CCC2=O)cc1 ZINC000084076602 538526764 /nfs/dbraw/zinc/52/67/64/538526764.db2.gz VFCNPJIOHKDBRP-LBPRGKRZSA-N 1 0 246.354 2.438 10 0 BEAERO Cn1cnc2c1[C@@H](CC(C)(C)C)[NH2+]CC2 ZINC000084258792 538528440 /nfs/dbraw/zinc/52/84/40/538528440.db2.gz BCWVYPCZHVHOKK-SNVBAGLBSA-N 1 0 207.321 2.043 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084300791 538529421 /nfs/dbraw/zinc/52/94/21/538529421.db2.gz QKPRNENUGIJRRL-NXEZZACHSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@@]1(C[NH2+]C2CC2)CCOc2ccccc21 ZINC000317846799 538609477 /nfs/dbraw/zinc/60/94/77/538609477.db2.gz SKKWTTXHOSZWKY-AWEZNQCLSA-N 1 0 217.312 2.479 10 0 BEAERO Cc1cccc([C@H](O)C[NH2+]C2CCC2)c1 ZINC000134701027 538614424 /nfs/dbraw/zinc/61/44/24/538614424.db2.gz SZSJDDGUCQPVNE-CYBMUJFWSA-N 1 0 205.301 2.171 10 0 BEAERO Cc1cccc([C@@H](O)C[NH2+]C2CCC2)c1 ZINC000134701048 538614793 /nfs/dbraw/zinc/61/47/93/538614793.db2.gz SZSJDDGUCQPVNE-ZDUSSCGKSA-N 1 0 205.301 2.171 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000623374091 356886422 /nfs/dbraw/zinc/88/64/22/356886422.db2.gz VTLOCKWHJPCFRZ-MNOVXSKESA-N 1 0 240.734 2.128 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000623374092 356886441 /nfs/dbraw/zinc/88/64/41/356886441.db2.gz VTLOCKWHJPCFRZ-QWRGUYRKSA-N 1 0 240.734 2.128 10 0 BEAERO [NH3+]CC1(Nc2ncccc2Cl)CCC1 ZINC000129836159 356983266 /nfs/dbraw/zinc/98/32/66/356983266.db2.gz CZWALYQPBHOLJD-UHFFFAOYSA-N 1 0 211.696 2.028 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000389540753 356985765 /nfs/dbraw/zinc/98/57/65/356985765.db2.gz KFADBHDOJRRAHR-FRRDWIJNSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)C1 ZINC000389586871 356995868 /nfs/dbraw/zinc/99/58/68/356995868.db2.gz ZCLLSMKBPCVGDQ-RFQIPJPRSA-N 1 0 224.392 2.495 10 0 BEAERO COc1ccc(Cl)cc1C(=O)C(C)(C)[NH3+] ZINC000168677066 357057452 /nfs/dbraw/zinc/05/74/52/357057452.db2.gz VVMRDSIOVBXYSK-UHFFFAOYSA-N 1 0 227.691 2.269 10 0 BEAERO O[C@@H](C[NH+]1CCCCC1)c1cccs1 ZINC000001692994 357157019 /nfs/dbraw/zinc/15/70/19/357157019.db2.gz BUPGKHPQQGMZQY-JTQLQIEISA-N 1 0 211.330 2.267 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000390771652 357116103 /nfs/dbraw/zinc/11/61/03/357116103.db2.gz WMNDPPMDIMRRAQ-XQQFMLRXSA-N 1 0 223.360 2.460 10 0 BEAERO Cc1cc(C[NH2+]CC[C@@H]2CCCO2)ccn1 ZINC000391135721 357122862 /nfs/dbraw/zinc/12/28/62/357122862.db2.gz PDEUWLLDYXFIHC-ZDUSSCGKSA-N 1 0 220.316 2.049 10 0 BEAERO Cc1ccc([C@@]2(O)CCC[NH2+]CC2)s1 ZINC000160707859 357184152 /nfs/dbraw/zinc/18/41/52/357184152.db2.gz OHWDJHUCFGMRIP-LLVKDONJSA-N 1 0 211.330 2.018 10 0 BEAERO C[NH2+]C[C@@H]1C[C@H]1c1ccc(Br)cn1 ZINC000130095347 357286362 /nfs/dbraw/zinc/28/63/62/357286362.db2.gz KAFIEWCXBYAHGW-IONNQARKSA-N 1 0 241.132 2.167 10 0 BEAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]CC1(F)CC1 ZINC000393614302 357290422 /nfs/dbraw/zinc/29/04/22/357290422.db2.gz USBLVIZODVFIPE-WDEREUQCSA-N 1 0 215.312 2.139 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389557919 538822206 /nfs/dbraw/zinc/82/22/06/538822206.db2.gz SKBYOKAGSLRSTF-AAEUAGOBSA-N 1 0 210.365 2.249 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389557922 538822589 /nfs/dbraw/zinc/82/25/89/538822589.db2.gz SKBYOKAGSLRSTF-YPMHNXCESA-N 1 0 210.365 2.249 10 0 BEAERO CCN(C)C(=O)C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000217400261 357260296 /nfs/dbraw/zinc/26/02/96/357260296.db2.gz MOAWYHBPDBVECA-DGCLKSJQSA-N 1 0 238.375 2.047 10 0 BEAERO CC(C)C(C[NH2+][C@H]1CCC(=O)N[C@H]1C)C(C)C ZINC000392904902 357263699 /nfs/dbraw/zinc/26/36/99/357263699.db2.gz VXCPBHGJUFGPME-AAEUAGOBSA-N 1 0 240.391 2.171 10 0 BEAERO Cc1cc2ccccc2nc1N[C@H](C)[C@H](C)[NH3+] ZINC000394477051 357352226 /nfs/dbraw/zinc/35/22/26/357352226.db2.gz PXXLJSLVLOXPQL-WDEREUQCSA-N 1 0 229.327 2.113 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@]1(C)C(C)C ZINC000397266833 357509332 /nfs/dbraw/zinc/50/93/32/357509332.db2.gz BQOYUIWYBJKDDW-HZSPNIEDSA-N 1 0 243.391 2.188 10 0 BEAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)CC(F)(F)F ZINC000396951627 357487733 /nfs/dbraw/zinc/48/77/33/357487733.db2.gz QPGYIUOSASQFSA-OPRDCNLKSA-N 1 0 239.281 2.468 10 0 BEAERO Cc1cc(C)c(C[NH2+]C[C@@H](O)C(C)(C)C)cn1 ZINC000397009310 357489177 /nfs/dbraw/zinc/48/91/77/357489177.db2.gz DHXFBXTWTBHDQS-CYBMUJFWSA-N 1 0 236.359 2.195 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)o1 ZINC000230417612 357524029 /nfs/dbraw/zinc/52/40/29/357524029.db2.gz AHYZPKWOUWPELO-MNOVXSKESA-N 1 0 224.304 2.203 10 0 BEAERO c1ccc(N2CCC[N@@H+](C3CCC3)CC2)nc1 ZINC000188375736 357529153 /nfs/dbraw/zinc/52/91/53/357529153.db2.gz RFSAJADMISDJAJ-UHFFFAOYSA-N 1 0 231.343 2.146 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000230395719 357534006 /nfs/dbraw/zinc/53/40/06/357534006.db2.gz PLJQADHHXOJCOZ-GFCCVEGCSA-N 1 0 221.348 2.360 10 0 BEAERO C[C@@H]1C(=O)NCCC[N@H+]1CCCC1CCCC1 ZINC000189296401 357625815 /nfs/dbraw/zinc/62/58/15/357625815.db2.gz UOAZHGRXCMHGPS-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCOCC2)o1 ZINC000231529636 357609230 /nfs/dbraw/zinc/60/92/30/357609230.db2.gz GNMRSSVPNANCOB-QWRGUYRKSA-N 1 0 224.304 2.203 10 0 BEAERO CC(C)(C)C(=O)C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000229125618 538881403 /nfs/dbraw/zinc/88/14/03/538881403.db2.gz RISRJIZNDBWPHR-DCAQKATOSA-N 1 0 209.333 2.380 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(OC)nc1 ZINC000232156050 357652818 /nfs/dbraw/zinc/65/28/18/357652818.db2.gz QCUCRJCDXRSCMU-NEPJUHHUSA-N 1 0 220.316 2.368 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC)nc1 ZINC000232156054 357652971 /nfs/dbraw/zinc/65/29/71/357652971.db2.gz QCUCRJCDXRSCMU-VXGBXAGGSA-N 1 0 220.316 2.368 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1nccc2occc21 ZINC000232712039 357680123 /nfs/dbraw/zinc/68/01/23/357680123.db2.gz CZYKNFJFXMCZHK-JTQLQIEISA-N 1 0 219.288 2.223 10 0 BEAERO Cc1cnn(CC[NH2+]C2CC(C(C)C)C2)c1 ZINC000232537245 357670176 /nfs/dbraw/zinc/67/01/76/357670176.db2.gz MAIMSRFZTVYSKM-UHFFFAOYSA-N 1 0 221.348 2.216 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCC2(CC2)CC1 ZINC000685951135 538894791 /nfs/dbraw/zinc/89/47/91/538894791.db2.gz NZTURPUDUVBTBR-ITGUQSILSA-N 1 0 222.376 2.106 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000233410698 357723876 /nfs/dbraw/zinc/72/38/76/357723876.db2.gz CAMPTHSADHRBGJ-CMPLNLGQSA-N 1 0 236.363 2.311 10 0 BEAERO COc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085967375 357706947 /nfs/dbraw/zinc/70/69/47/357706947.db2.gz BPELZWRVJTWJPG-JSGCOSHPSA-N 1 0 249.354 2.336 10 0 BEAERO CC[C@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000190439503 357707799 /nfs/dbraw/zinc/70/77/99/357707799.db2.gz PCSFZXXFTDACEQ-QWHCGFSZSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1ccccc1[C@H](C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191104346 357750815 /nfs/dbraw/zinc/75/08/15/357750815.db2.gz JKONWBIXHACHJY-ZDUSSCGKSA-N 1 0 246.354 2.220 10 0 BEAERO C[C@@H](O)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000192803709 357856078 /nfs/dbraw/zinc/85/60/78/357856078.db2.gz SQRQMSWIGDHHPZ-LLVKDONJSA-N 1 0 235.302 2.296 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(C)CCC1 ZINC000235375365 357859537 /nfs/dbraw/zinc/85/95/37/357859537.db2.gz NPQFQOZOICTOLJ-CHWSQXEVSA-N 1 0 222.376 2.345 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CC(C)C)C1CC1 ZINC000193249101 357871166 /nfs/dbraw/zinc/87/11/66/357871166.db2.gz OSWJJGQVRVITFV-CQSZACIVSA-N 1 0 243.391 2.284 10 0 BEAERO CC(C)OC(=O)NC(C)(C)CCC[NH+](C)C ZINC000387343314 357918966 /nfs/dbraw/zinc/91/89/66/357918966.db2.gz UHEXRRMKJAGJII-UHFFFAOYSA-N 1 0 230.352 2.241 10 0 BEAERO CO[C@@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)c1ccccc1 ZINC000639938675 357944084 /nfs/dbraw/zinc/94/40/84/357944084.db2.gz IEEBWXAZBQFYGO-YUELXQCFSA-N 1 0 249.354 2.219 10 0 BEAERO Cc1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000584457368 357973719 /nfs/dbraw/zinc/97/37/19/357973719.db2.gz RDYMRTLKXDPAKL-NEPJUHHUSA-N 1 0 219.332 2.190 10 0 BEAERO C[C@@H](C[NH+](C)C)Nc1cc(Cl)nnc1Cl ZINC000169018053 358009410 /nfs/dbraw/zinc/00/94/10/358009410.db2.gz RNPOUCNHROYGCR-LURJTMIESA-N 1 0 249.145 2.145 10 0 BEAERO CS[C@H](C)CNc1[nH+]c(C)ccc1N ZINC000169041400 358014001 /nfs/dbraw/zinc/01/40/01/358014001.db2.gz UMLCWOFQNHQHLM-MRVPVSSYSA-N 1 0 211.334 2.136 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000220352775 358038287 /nfs/dbraw/zinc/03/82/87/358038287.db2.gz BOXKFXYJWXPDHK-MRVWCRGKSA-N 1 0 247.338 2.056 10 0 BEAERO CC(C)[NH2+]CCC(=O)NCC1CCCCC1 ZINC000037480163 358072642 /nfs/dbraw/zinc/07/26/42/358072642.db2.gz WHPARBPZAOSBQK-UHFFFAOYSA-N 1 0 226.364 2.071 10 0 BEAERO [NH3+]CC1(c2cnc(Cl)cc2Cl)CC1 ZINC000221748769 358115562 /nfs/dbraw/zinc/11/55/62/358115562.db2.gz GKRLTNPQEXGKTK-UHFFFAOYSA-N 1 0 217.099 2.379 10 0 BEAERO [NH3+]C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000038436484 358152484 /nfs/dbraw/zinc/15/24/84/358152484.db2.gz KACYEBSXIWUJQN-CQSZACIVSA-N 1 0 240.306 2.116 10 0 BEAERO [NH3+]Cc1ccc2c(c1)ncn2[C@H]1CCCCO1 ZINC000038540064 358158744 /nfs/dbraw/zinc/15/87/44/358158744.db2.gz UBPAJFDYOXYCNP-CYBMUJFWSA-N 1 0 231.299 2.194 10 0 BEAERO C1=C[C@@H]([N@@H+]2CCCN(C3CC3)CC2)CCC1 ZINC000172190721 134262794 /nfs/dbraw/zinc/26/27/94/134262794.db2.gz GSPLWISAKUUMDX-CYBMUJFWSA-N 1 0 220.360 2.265 10 0 BEAERO COc1ccc2cccc3c2c1[C@H](C[NH3+])C3 ZINC000039018997 358217287 /nfs/dbraw/zinc/21/72/87/358217287.db2.gz IUDBPCFMNRBVFD-NSHDSACASA-N 1 0 213.280 2.447 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H]2CCOc3cccc1c32 ZINC000039018528 358217291 /nfs/dbraw/zinc/21/72/91/358217291.db2.gz YVEAYKIGLDSQMI-NXEZZACHSA-N 1 0 203.285 2.389 10 0 BEAERO C[C@@H](C1CCC1)N(Cc1ccccc1)C(=O)C[NH3+] ZINC000584590851 358249109 /nfs/dbraw/zinc/24/91/09/358249109.db2.gz BPJYLYGQJSOGLV-LBPRGKRZSA-N 1 0 246.354 2.163 10 0 BEAERO CC[NH2+]CCCNc1cc(C(C)C)ncn1 ZINC000040766629 358245785 /nfs/dbraw/zinc/24/57/85/358245785.db2.gz MWTJMZDHLFQBOH-UHFFFAOYSA-N 1 0 222.336 2.012 10 0 BEAERO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000090418280 491126629 /nfs/dbraw/zinc/12/66/29/491126629.db2.gz MBAJRFWPUGHICO-LSJOCFKGSA-N 1 0 240.372 2.263 10 0 BEAERO C[C@H]([NH2+]Cc1ccc[nH]1)[C@H](O)c1ccccc1 ZINC000584596090 358254080 /nfs/dbraw/zinc/25/40/80/358254080.db2.gz MXSFBJQVSIKKTL-FZMZJTMJSA-N 1 0 230.311 2.226 10 0 BEAERO COc1cc2c(cc1OC)C[C@H]1[NH2+]CCC[C@@H]1C2 ZINC000584597659 358255213 /nfs/dbraw/zinc/25/52/13/358255213.db2.gz MIRQROIORLTZIA-ZWNOBZJWSA-N 1 0 247.338 2.171 10 0 BEAERO C[NH+](C)[C@@H]1[C@H]2CC[C@H](C[C@H]2O)[C@H]1c1ccccc1 ZINC000584599900 358256413 /nfs/dbraw/zinc/25/64/13/358256413.db2.gz WSESHWZVUAAHCK-YIDVYQOGSA-N 1 0 245.366 2.491 10 0 BEAERO CO[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC000584601432 358259002 /nfs/dbraw/zinc/25/90/02/358259002.db2.gz PKEWJFPXBYXOJG-RRFJBIMHSA-N 1 0 249.354 2.047 10 0 BEAERO CC[C@H]([NH2+]Cc1cc(C(N)=O)cs1)C(C)C ZINC000086573668 491126921 /nfs/dbraw/zinc/12/69/21/491126921.db2.gz OAZRUCYYBOPRDU-NSHDSACASA-N 1 0 240.372 2.371 10 0 BEAERO C[C@H]1c2ccccc2CC(C)(C)N1C(=[NH2+])NO ZINC000584621552 358289586 /nfs/dbraw/zinc/28/95/86/358289586.db2.gz AMBLZVYIGPAQBL-VIFPVBQESA-N 1 0 233.315 2.298 10 0 BEAERO C[NH+](C)C[C@]12CCCC[C@@H]1CCC(=O)C2 ZINC000584621921 358290133 /nfs/dbraw/zinc/29/01/33/358290133.db2.gz YHGLTDIQLQCFNW-DGCLKSJQSA-N 1 0 209.333 2.478 10 0 BEAERO O=c1[nH]c2ccccc2cc1C1=CC[NH2+]CC1 ZINC000584622076 358290147 /nfs/dbraw/zinc/29/01/47/358290147.db2.gz OJUIJMINLIIUGR-UHFFFAOYSA-N 1 0 226.279 2.317 10 0 BEAERO C[C@H]1Cc2ccccc2[C@H]2CC(=O)CC[N@@H+]21 ZINC000584626622 358295898 /nfs/dbraw/zinc/29/58/98/358295898.db2.gz SPGYMSKFFKWKBC-IINYFYTJSA-N 1 0 215.296 2.337 10 0 BEAERO C[NH+](C)[C@@]1(c2cccc(O)c2)CC[C@](C)(O)CC1 ZINC000584651005 358305695 /nfs/dbraw/zinc/30/56/95/358305695.db2.gz IUGITEYYLHXZJX-SHTZXODSSA-N 1 0 249.354 2.474 10 0 BEAERO C1=CC[C@@H](CCOCC2=[NH+]CCCN2)CC1 ZINC000584651330 358306268 /nfs/dbraw/zinc/30/62/68/358306268.db2.gz WWLIVDJBODFJQF-GFCCVEGCSA-N 1 0 222.332 2.141 10 0 BEAERO CC(C)c1nnc([C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000584651966 358306855 /nfs/dbraw/zinc/30/68/55/358306855.db2.gz ULLNCZOBHPGRJS-KYZUINATSA-N 1 0 209.293 2.178 10 0 BEAERO COC(=O)[C@H]1CC[C@H](CCc2ccccc2)[NH2+]C1 ZINC000584631629 358314158 /nfs/dbraw/zinc/31/41/58/358314158.db2.gz FZFOQIJNDDCCLL-KBPBESRZSA-N 1 0 247.338 2.160 10 0 BEAERO COC(=O)[C@@H]1CC[C@@H](CCc2ccccc2)[NH2+]C1 ZINC000584631632 358314167 /nfs/dbraw/zinc/31/41/67/358314167.db2.gz FZFOQIJNDDCCLL-ZIAGYGMSSA-N 1 0 247.338 2.160 10 0 BEAERO CN1CCC[C@@]12CCCC[C@@H]2[NH2+]CC1CC1 ZINC000584616581 358281405 /nfs/dbraw/zinc/28/14/05/358281405.db2.gz GVYFMQBCJLGWTP-UONOGXRCSA-N 1 0 222.376 2.393 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H]1CC1(F)F ZINC000622016539 370664566 /nfs/dbraw/zinc/66/45/66/370664566.db2.gz JHLNUQPNRCBUAD-RKDXNWHRSA-N 1 0 221.291 2.028 10 0 BEAERO C[N@H+]1CC=C(c2nc3c(nccc3Cl)[nH]2)CC1 ZINC000584632535 358315637 /nfs/dbraw/zinc/31/56/37/358315637.db2.gz JGSSOVQULHMQAL-UHFFFAOYSA-N 1 0 248.717 2.330 10 0 BEAERO OCCCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173400552 134274194 /nfs/dbraw/zinc/27/41/94/134274194.db2.gz UQFIWJCFNMIMTQ-CYBMUJFWSA-N 1 0 237.347 2.099 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ncnc2ccccc21 ZINC000228267026 358372355 /nfs/dbraw/zinc/37/23/55/358372355.db2.gz KBNNRVPSCJQGDZ-VHSXEESVSA-N 1 0 230.315 2.168 10 0 BEAERO Cc1nc2ccccc2nc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000228268859 358372392 /nfs/dbraw/zinc/37/23/92/358372392.db2.gz QIDOTBPHQDWXQR-NXEZZACHSA-N 1 0 244.342 2.476 10 0 BEAERO CC[NH+](CC)[C@@H](C)[C@H](O)c1ccc(OC)cc1 ZINC000044115988 358403440 /nfs/dbraw/zinc/40/34/40/358403440.db2.gz ZADXTHKYPSXLTR-FZMZJTMJSA-N 1 0 237.343 2.459 10 0 BEAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000392941796 259480197 /nfs/dbraw/zinc/48/01/97/259480197.db2.gz PXJYNBKDIWNSIA-QNWJLWSRSA-N 1 0 238.375 2.068 10 0 BEAERO CCC(C)(CC)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000230958334 358413622 /nfs/dbraw/zinc/41/36/22/358413622.db2.gz HZTLWWMITVEVLW-NSHDSACASA-N 1 0 226.364 2.071 10 0 BEAERO C[C@@H]1C[C@H](c2ccc(Br)cn2)C[NH2+]1 ZINC000130126050 358425899 /nfs/dbraw/zinc/42/58/99/358425899.db2.gz CSKJENOPJINLTI-SFYZADRCSA-N 1 0 241.132 2.310 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000224133158 358563349 /nfs/dbraw/zinc/56/33/49/358563349.db2.gz RTGLJOLFIHKHEJ-JHJVBQTASA-N 1 0 209.333 2.236 10 0 BEAERO COc1cc([C@@H](C)[NH2+]CC[C@H](C)O)ccc1F ZINC000212793555 358622624 /nfs/dbraw/zinc/62/26/24/358622624.db2.gz JBWPAYCQTSDOLQ-VHSXEESVSA-N 1 0 241.306 2.256 10 0 BEAERO COc1cc([C@@H](C)[NH2+]CC[C@@H](C)O)ccc1F ZINC000212793624 358622639 /nfs/dbraw/zinc/62/26/39/358622639.db2.gz JBWPAYCQTSDOLQ-NXEZZACHSA-N 1 0 241.306 2.256 10 0 BEAERO COC(=O)c1coc(C[NH2+]C[C@H](C)C(C)C)c1 ZINC000130787891 358644173 /nfs/dbraw/zinc/64/41/73/358644173.db2.gz YFAHBDIZLVCNSX-JTQLQIEISA-N 1 0 239.315 2.448 10 0 BEAERO CCc1nc(CC[NH2+][C@@H](C)C(C)(C)C)no1 ZINC000129287734 358585582 /nfs/dbraw/zinc/58/55/82/358585582.db2.gz IKLZLDUYXRREMR-VIFPVBQESA-N 1 0 225.336 2.199 10 0 BEAERO C1CC[C@H](c2[nH]nc3c2CSCC3)[NH2+]C1 ZINC000211425798 358648759 /nfs/dbraw/zinc/64/87/59/358648759.db2.gz LQEVNRHWCQZBIC-SNVBAGLBSA-N 1 0 223.345 2.014 10 0 BEAERO CC(C)[N@H+](CCO)CCCC(=O)c1ccccc1 ZINC000049824756 358703738 /nfs/dbraw/zinc/70/37/38/358703738.db2.gz XQGPSSQAKNKBKI-UHFFFAOYSA-N 1 0 249.354 2.352 10 0 BEAERO C[C@H](C[N@H+](CC(N)=O)C(C)(C)C)c1ccccc1 ZINC000131337184 358672203 /nfs/dbraw/zinc/67/22/03/358672203.db2.gz JNGBHAZEWZRGRU-GFCCVEGCSA-N 1 0 248.370 2.376 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)(C)CC ZINC000049281873 358679877 /nfs/dbraw/zinc/67/98/77/358679877.db2.gz XWAQTJUDGGSCCL-WDEREUQCSA-N 1 0 228.380 2.315 10 0 BEAERO COc1cc(OC)cc([C@H]2C[NH2+]CC2(C)C)c1 ZINC000211484115 358697063 /nfs/dbraw/zinc/69/70/63/358697063.db2.gz NXGWCWPRZCPNOS-CYBMUJFWSA-N 1 0 235.327 2.417 10 0 BEAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000133045204 358744286 /nfs/dbraw/zinc/74/42/86/358744286.db2.gz FLQZQMOMWWMZQC-KGLIPLIRSA-N 1 0 242.407 2.266 10 0 BEAERO CC[C@@H](C)C[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000133573486 358759280 /nfs/dbraw/zinc/75/92/80/358759280.db2.gz CDBFUOAUPHOMHO-GHMZBOCLSA-N 1 0 236.363 2.311 10 0 BEAERO CC(C)[C@@H]([NH3+])CCN(C)c1nc2ccccc2[nH]1 ZINC000133613721 358761044 /nfs/dbraw/zinc/76/10/44/358761044.db2.gz IOMRXZZWRFPCPJ-NSHDSACASA-N 1 0 246.358 2.373 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C ZINC000175835875 134289449 /nfs/dbraw/zinc/28/94/49/134289449.db2.gz XAUPVQSSBDJAAR-CHWSQXEVSA-N 1 0 238.375 2.260 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1cccs1 ZINC000050394688 358726723 /nfs/dbraw/zinc/72/67/23/358726723.db2.gz RESAWFSTGDUSGT-UWVGGRQHSA-N 1 0 238.356 2.067 10 0 BEAERO C[N@H+](CC(=O)NC(C)(C)C)C(C1CC1)C1CC1 ZINC000050989439 358740179 /nfs/dbraw/zinc/74/01/79/358740179.db2.gz IOABDTWEZLCHRX-UHFFFAOYSA-N 1 0 238.375 2.022 10 0 BEAERO COc1ccc(C)cc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000134242604 358783609 /nfs/dbraw/zinc/78/36/09/358783609.db2.gz VFJULZNEUVWAFL-YPMHNXCESA-N 1 0 235.327 2.271 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000134359635 358787914 /nfs/dbraw/zinc/78/79/14/358787914.db2.gz QUHKWVAHLFYUFK-NEPJUHHUSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1nc(C[N@@H+]2CCC[C@@H]2CCCO)oc1C ZINC000052761762 358792401 /nfs/dbraw/zinc/79/24/01/358792401.db2.gz OXCOLUSRIKXISJ-GFCCVEGCSA-N 1 0 238.331 2.028 10 0 BEAERO Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)o1 ZINC000052762002 358792540 /nfs/dbraw/zinc/79/25/40/358792540.db2.gz KANPKEYORWTELS-LBPRGKRZSA-N 1 0 223.316 2.325 10 0 BEAERO CC(C)(C)OC1CC([NH2+][C@@H]2CCCOC2)C1 ZINC000134559830 358795900 /nfs/dbraw/zinc/79/59/00/358795900.db2.gz MYNBKWLBHBKGEW-VOMCLLRMSA-N 1 0 227.348 2.101 10 0 BEAERO CC(C)[C@](C)(CO)[NH2+]Cc1ccccc1 ZINC000052883958 358798851 /nfs/dbraw/zinc/79/88/51/358798851.db2.gz LHRQLQQGDCLWEE-ZDUSSCGKSA-N 1 0 207.317 2.183 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2ncccc2F)C1 ZINC000054700712 358872309 /nfs/dbraw/zinc/87/23/09/358872309.db2.gz SJKRBWDRUYXXNN-SNVBAGLBSA-N 1 0 223.295 2.117 10 0 BEAERO CC[N@H+](CCCO)Cc1ccc2ccccc2n1 ZINC000135423801 358837586 /nfs/dbraw/zinc/83/75/86/358837586.db2.gz RQWRCYSBZOOQHK-UHFFFAOYSA-N 1 0 244.338 2.439 10 0 BEAERO CC[N@H+]1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000135460779 358839918 /nfs/dbraw/zinc/83/99/18/358839918.db2.gz BBBPKCLMMDMKGB-KBPBESRZSA-N 1 0 247.338 2.285 10 0 BEAERO C[N@H+](C[C@@H]1CCCCO1)C[C@@H]1CCCC[C@@H]1O ZINC000053885194 358846627 /nfs/dbraw/zinc/84/66/27/358846627.db2.gz XVNRZNZZBRHOGR-IHRRRGAJSA-N 1 0 241.375 2.038 10 0 BEAERO CN1c2ccccc2[C@]2(C)CC[NH2+][C@]12C ZINC000053993793 358960378 /nfs/dbraw/zinc/96/03/78/358960378.db2.gz CGGSLHUYWLWRBD-QWHCGFSZSA-N 1 0 202.301 2.104 10 0 BEAERO C[C@@H]1OCC[C@@H]1S[C@H]1CCCC[NH2+]C1 ZINC000300335466 358962399 /nfs/dbraw/zinc/96/23/99/358962399.db2.gz CPQHURVRWNMLRT-DCAQKATOSA-N 1 0 215.362 2.039 10 0 BEAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CC1)CC2 ZINC000177312493 134299517 /nfs/dbraw/zinc/29/95/17/134299517.db2.gz YKRSYYPONLQIGP-PWSUYJOCSA-N 1 0 248.374 2.104 10 0 BEAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1cccc(O)c1 ZINC000396637452 358942523 /nfs/dbraw/zinc/94/25/23/358942523.db2.gz AKIAJWFKZSFLDV-WDMOLILDSA-N 1 0 234.343 2.183 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@H]2CCCS2)sn1 ZINC000306158835 358952110 /nfs/dbraw/zinc/95/21/10/358952110.db2.gz DNJCZBOLGBENPU-APPZFPTMSA-N 1 0 214.359 2.347 10 0 BEAERO C[C@H]1CSC(N[C@@H]2CCC(F)(F)C2)=[NH+]1 ZINC000306172336 358981880 /nfs/dbraw/zinc/98/18/80/358981880.db2.gz LFFGDIONWPEWJI-NKWVEPMBSA-N 1 0 220.288 2.255 10 0 BEAERO [NH3+]Cc1ccc(F)c(-c2cscn2)c1 ZINC000306183186 359000003 /nfs/dbraw/zinc/00/00/03/359000003.db2.gz YSDWJSRNRZXZEB-UHFFFAOYSA-N 1 0 208.261 2.408 10 0 BEAERO Cc1ccc(Cl)c([C@@H](O)[C@@H](C)C[NH3+])c1 ZINC000306183191 359000080 /nfs/dbraw/zinc/00/00/80/359000080.db2.gz YSHRFHUKGWFDNW-KWQFWETISA-N 1 0 213.708 2.277 10 0 BEAERO Cc1ccc(Cl)c([C@@H](O)[C@H](C)C[NH3+])c1 ZINC000306183189 359000196 /nfs/dbraw/zinc/00/01/96/359000196.db2.gz YSHRFHUKGWFDNW-KCJUWKMLSA-N 1 0 213.708 2.277 10 0 BEAERO [NH3+][C@H](c1ccsn1)[C@H]1CCCCS1 ZINC000306184752 359002354 /nfs/dbraw/zinc/00/23/54/359002354.db2.gz FBOIDNVUBFRSKC-RKDXNWHRSA-N 1 0 214.359 2.429 10 0 BEAERO CC(C)(C)[NH2+]Cc1ncncc1Br ZINC000306187006 359002677 /nfs/dbraw/zinc/00/26/77/359002677.db2.gz CZYXOKSSHPGJSP-UHFFFAOYSA-N 1 0 244.136 2.127 10 0 BEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000246436785 359085882 /nfs/dbraw/zinc/08/58/82/359085882.db2.gz OGHRXKVNJLRJPW-KZVDOYCCSA-N 1 0 248.374 2.007 10 0 BEAERO Cc1cnc(CN2CCC([NH+]3CCCC3)CC2)o1 ZINC000075639109 359187096 /nfs/dbraw/zinc/18/70/96/359187096.db2.gz KVHGXURWQYUARY-UHFFFAOYSA-N 1 0 249.358 2.043 10 0 BEAERO CC(C)CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247049525 359191360 /nfs/dbraw/zinc/19/13/60/359191360.db2.gz GXAOYHOEWFSNKB-STQMWFEESA-N 1 0 238.375 2.118 10 0 BEAERO C[C@@H]1[C@H]([NH3+])CCCN1CC=C(Cl)Cl ZINC000403452167 359139158 /nfs/dbraw/zinc/13/91/58/359139158.db2.gz GGNLVJUWFXIUKB-HTQZYQBOSA-N 1 0 223.147 2.117 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC=CCC1 ZINC000247100132 359193561 /nfs/dbraw/zinc/19/35/61/359193561.db2.gz IJJORKOBCCMAJH-MGPQQGTHSA-N 1 0 248.370 2.038 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC=CCC1 ZINC000247100150 359193938 /nfs/dbraw/zinc/19/39/38/359193938.db2.gz IJJORKOBCCMAJH-RDBSUJKOSA-N 1 0 248.370 2.038 10 0 BEAERO CCOCCN1CC[N@H+](CCC(C)C)C[C@H]1C ZINC000247102823 359194177 /nfs/dbraw/zinc/19/41/77/359194177.db2.gz IJLWJJHXOVNSHA-CQSZACIVSA-N 1 0 242.407 2.075 10 0 BEAERO CCCC[N@@H+]1CCN(CCOCC)[C@@H](CC)C1 ZINC000247245908 359203206 /nfs/dbraw/zinc/20/32/06/359203206.db2.gz STHUTFYTJQZVNJ-AWEZNQCLSA-N 1 0 242.407 2.219 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC2CCC2)C1 ZINC000247363296 359215596 /nfs/dbraw/zinc/21/55/96/359215596.db2.gz ORWDYRVHWMRDLS-WCQYABFASA-N 1 0 238.375 2.022 10 0 BEAERO Clc1ccc(SCC2=[NH+]CCN2)cc1 ZINC000306201087 359290623 /nfs/dbraw/zinc/29/06/23/359290623.db2.gz UUJZSPSLAGWPST-UHFFFAOYSA-N 1 0 226.732 2.434 10 0 BEAERO Brc1ccoc1C1=CCC[NH2+]C1 ZINC000306210031 359302508 /nfs/dbraw/zinc/30/25/08/359302508.db2.gz BWEWHKGBJJQZDG-UHFFFAOYSA-N 1 0 228.089 2.419 10 0 BEAERO Cc1ccc(Cl)c([C@@H]([NH3+])CN(C)C)c1 ZINC000306214682 359315178 /nfs/dbraw/zinc/31/51/78/359315178.db2.gz NMMZMBNJDOWTMC-NSHDSACASA-N 1 0 212.724 2.210 10 0 BEAERO C1=C[C@@H](N2CC[N@H+]3CCCC[C@H]3C2)CCC1 ZINC000248368769 359271543 /nfs/dbraw/zinc/27/15/43/359271543.db2.gz VOBUJXFOKVJJEZ-KGLIPLIRSA-N 1 0 220.360 2.265 10 0 BEAERO C[C@@](F)(C[NH3+])c1cc(F)c(F)cc1F ZINC000306240905 359420012 /nfs/dbraw/zinc/42/00/12/359420012.db2.gz LRFPAKVXBZNXIM-SECBINFHSA-N 1 0 207.170 2.247 10 0 BEAERO COC[C@@](C)([NH3+])c1cc(C)ccc1Cl ZINC000306236343 359395219 /nfs/dbraw/zinc/39/52/19/359395219.db2.gz KUOLLHCJHWCOPH-LLVKDONJSA-N 1 0 213.708 2.469 10 0 BEAERO C[C@@H]1C[C@@H](C)[NH2+][C@@H](C(=O)NCc2ccccc2)C1 ZINC000306278160 359510302 /nfs/dbraw/zinc/51/03/02/359510302.db2.gz VZSUZZDPIAQGDJ-YRGRVCCFSA-N 1 0 246.354 2.079 10 0 BEAERO CC1(C)C[N@H+](C[C@H]2Cc3ccccc32)CC[C@H]1O ZINC000287929395 359537702 /nfs/dbraw/zinc/53/77/02/359537702.db2.gz WPPGNIQAVPPVSA-UKRRQHHQSA-N 1 0 245.366 2.419 10 0 BEAERO CC1(C)C[N@H+](C[C@H]2Cc3ccccc32)CC[C@@H]1O ZINC000287929394 359538336 /nfs/dbraw/zinc/53/83/36/359538336.db2.gz WPPGNIQAVPPVSA-HIFRSBDPSA-N 1 0 245.366 2.419 10 0 BEAERO CC(C)([NH3+])[C@H](F)C(F)(F)Br ZINC000306314286 359595562 /nfs/dbraw/zinc/59/55/62/359595562.db2.gz NWYRKTVTJABDBH-VKHMYHEASA-N 1 0 220.032 2.050 10 0 BEAERO [NH3+][C@H](c1ccsn1)[C@H]1CCCS1 ZINC000306338419 359639386 /nfs/dbraw/zinc/63/93/86/359639386.db2.gz VVFWPSQHXJRUSY-HTQZYQBOSA-N 1 0 200.332 2.039 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CC1(C)C ZINC000309019260 491142467 /nfs/dbraw/zinc/14/24/67/491142467.db2.gz WBHSYIJKJWBIGW-QCNOEVLYSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CC1(C)C ZINC000309019265 491142502 /nfs/dbraw/zinc/14/25/02/491142502.db2.gz WBHSYIJKJWBIGW-WHOHXGKFSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@H]1CSC[C@]12[NH2+]C[C@@H](C)CS2 ZINC000306349155 359669240 /nfs/dbraw/zinc/66/92/40/359669240.db2.gz JFALHFAUEYJNTO-HRDYMLBCSA-N 1 0 203.376 2.038 10 0 BEAERO O=C(C1CCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000226245573 359692176 /nfs/dbraw/zinc/69/21/76/359692176.db2.gz NDAVAARKVSOHLQ-SRVKXCTJSA-N 1 0 207.317 2.276 10 0 BEAERO CC(C)C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)C2)C1 ZINC000306402779 359784073 /nfs/dbraw/zinc/78/40/73/359784073.db2.gz FCOHXUYMPCUMBX-NWDGAFQWSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1nc2ccccc2o1 ZINC000087362285 359908788 /nfs/dbraw/zinc/90/87/88/359908788.db2.gz IAOUGRHMGYHFMU-VIFPVBQESA-N 1 0 219.288 2.367 10 0 BEAERO CC[C@H]([NH2+][C@H]1CN(CC)C[C@@H]1C)C1CC1 ZINC000309171495 491145795 /nfs/dbraw/zinc/14/57/95/491145795.db2.gz LKUKINDZXYCEHO-DRZSPHRISA-N 1 0 210.365 2.105 10 0 BEAERO CNC(=[NH2+])c1ccc(F)c(Br)c1 ZINC000169263377 360015727 /nfs/dbraw/zinc/01/57/27/360015727.db2.gz MYINVGIDIDQTNM-UHFFFAOYSA-N 1 0 231.068 2.133 10 0 BEAERO CSC1([C@H]2[NH2+]CC[C@H](C)S2)CC1 ZINC000306449737 360018979 /nfs/dbraw/zinc/01/89/79/360018979.db2.gz NIWLOMCLCKRVLG-YUMQZZPRSA-N 1 0 203.376 2.323 10 0 BEAERO OC1(C2CC2)C[NH+](CCCc2ccccc2)C1 ZINC000089678289 360033888 /nfs/dbraw/zinc/03/38/88/360033888.db2.gz XDCUUJVJICDSEE-UHFFFAOYSA-N 1 0 231.339 2.076 10 0 BEAERO COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089163088 359996076 /nfs/dbraw/zinc/99/60/76/359996076.db2.gz WAJMJWOSXKUWSN-JSGCOSHPSA-N 1 0 249.354 2.254 10 0 BEAERO CCCC[N@H+](CCO)C[C@@H]1Cc2ccccc2O1 ZINC000090876812 360093063 /nfs/dbraw/zinc/09/30/63/360093063.db2.gz SNLWKZSETDAIFZ-AWEZNQCLSA-N 1 0 249.354 2.085 10 0 BEAERO Cc1c(C[NH2+][C@H](C)CC(F)(F)F)cnn1C ZINC000090887892 360093943 /nfs/dbraw/zinc/09/39/43/360093943.db2.gz UVEYFDYQUFRALJ-SSDOTTSWSA-N 1 0 235.253 2.159 10 0 BEAERO CC(C)n1cncc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000090207726 360064705 /nfs/dbraw/zinc/06/47/05/360064705.db2.gz DIGGXQZONJBPNI-YPMHNXCESA-N 1 0 237.347 2.121 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C1CCC1 ZINC000090227140 360066950 /nfs/dbraw/zinc/06/69/50/360066950.db2.gz KOJUOGQFIDNDLE-SKDRFNHKSA-N 1 0 234.347 2.200 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C(C)C ZINC000090227530 360067372 /nfs/dbraw/zinc/06/73/72/360067372.db2.gz UQEDXUHMBMSQKG-ONGXEEELSA-N 1 0 222.336 2.056 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc(Cl)cs1 ZINC000306463956 360075956 /nfs/dbraw/zinc/07/59/56/360075956.db2.gz AAQIYTOZEUTTOO-PHDIDXHHSA-N 1 0 219.741 2.334 10 0 BEAERO C[C@@H]1C[N@H+](C)C[C@@H]1Nc1ncc(Cl)s1 ZINC000306466083 360080023 /nfs/dbraw/zinc/08/00/23/360080023.db2.gz KHFPBAMUVZSYIL-RQJHMYQMSA-N 1 0 231.752 2.159 10 0 BEAERO CC(C)(C[NH3+])c1cc(F)cc(F)c1F ZINC000306467616 360081102 /nfs/dbraw/zinc/08/11/02/360081102.db2.gz MMXQXEQCVPJANN-UHFFFAOYSA-N 1 0 203.207 2.340 10 0 BEAERO CC1(NC(=[NH2+])NCc2ccccc2)CCC1 ZINC000306478188 360124891 /nfs/dbraw/zinc/12/48/91/360124891.db2.gz ADVFDOJGONFIFC-UHFFFAOYSA-N 1 0 217.316 2.243 10 0 BEAERO c1cc(C2CC[NH+](Cc3cncs3)CC2)n[nH]1 ZINC000092810715 360201673 /nfs/dbraw/zinc/20/16/73/360201673.db2.gz FBMQRKFSRFKENS-UHFFFAOYSA-N 1 0 248.355 2.246 10 0 BEAERO C[C@H](C[NH2+]C1CCC1)N(C)C(=O)OC(C)(C)C ZINC000306488962 360190403 /nfs/dbraw/zinc/19/04/03/360190403.db2.gz SMFAPJQANFQQLL-SNVBAGLBSA-N 1 0 242.363 2.384 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000093080285 360214916 /nfs/dbraw/zinc/21/49/16/360214916.db2.gz FCNJNVZBNKFBFO-ONGXEEELSA-N 1 0 222.336 2.057 10 0 BEAERO CC[C@@H](C)C[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000093080283 360215136 /nfs/dbraw/zinc/21/51/36/360215136.db2.gz FCNJNVZBNKFBFO-KOLCDFICSA-N 1 0 222.336 2.057 10 0 BEAERO COc1ncc([C@@H]([NH3+])C2CCCC2)s1 ZINC000306499895 360261131 /nfs/dbraw/zinc/26/11/31/360261131.db2.gz LEUZFTIJUVHXRX-VIFPVBQESA-N 1 0 212.318 2.342 10 0 BEAERO COc1ncc([C@H]([NH3+])C2CCCC2)s1 ZINC000306499894 360261347 /nfs/dbraw/zinc/26/13/47/360261347.db2.gz LEUZFTIJUVHXRX-SECBINFHSA-N 1 0 212.318 2.342 10 0 BEAERO [NH2+]=C(N[C@@H]1CCSC1)c1ccccc1 ZINC000231416719 360273358 /nfs/dbraw/zinc/27/33/58/360273358.db2.gz FMOGLWCYDOCOOI-SNVBAGLBSA-N 1 0 206.314 2.107 10 0 BEAERO C[C@]1(F)CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000306517435 360344281 /nfs/dbraw/zinc/34/42/81/360344281.db2.gz BBEGOAHSDRRLSR-UWVGGRQHSA-N 1 0 203.326 2.316 10 0 BEAERO C[C@@]1(F)CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000306517439 360344570 /nfs/dbraw/zinc/34/45/70/360344570.db2.gz BBEGOAHSDRRLSR-VHSXEESVSA-N 1 0 203.326 2.316 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)no1 ZINC000094449310 360308406 /nfs/dbraw/zinc/30/84/06/360308406.db2.gz HHRKEIGDUJVGIE-CHWSQXEVSA-N 1 0 249.358 2.042 10 0 BEAERO Brc1cccc(C2=[NH+]CCCN2)c1 ZINC000306507946 360309941 /nfs/dbraw/zinc/30/99/41/360309941.db2.gz ZTOGDOCROUXODW-UHFFFAOYSA-N 1 0 239.116 2.189 10 0 BEAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3ccccc3)no2)C1 ZINC000097067617 360360475 /nfs/dbraw/zinc/36/04/75/360360475.db2.gz NVNNGZKNOJKVOL-RYUDHWBXSA-N 1 0 243.310 2.255 10 0 BEAERO C[C@H]([NH3+])c1cncn1[C@@H](C)C(F)(F)F ZINC000306523719 360360925 /nfs/dbraw/zinc/36/09/25/360360925.db2.gz UQRZUFYPDJBXJW-WDSKDSINSA-N 1 0 207.199 2.026 10 0 BEAERO [NH3+]CC[C@@H](F)c1occc1Br ZINC000130435258 360443064 /nfs/dbraw/zinc/44/30/64/360443064.db2.gz COENDPTUDVVRIU-ZCFIWIBFSA-N 1 0 222.057 2.402 10 0 BEAERO Fc1ccc(Cl)c(C2C[NH2+]C2)c1F ZINC000306565008 360444256 /nfs/dbraw/zinc/44/42/56/360444256.db2.gz XOILWIWPYZSDCL-UHFFFAOYSA-N 1 0 203.619 2.305 10 0 BEAERO C[C@@H]1C[C@@H]1c1nc(C(F)F)c(C[NH3+])o1 ZINC000306566047 360444505 /nfs/dbraw/zinc/44/45/05/360444505.db2.gz FUWIALVXIWKNGV-UHNVWZDZSA-N 1 0 202.204 2.194 10 0 BEAERO CCn1cc[nH+]c1N[C@H](C)C(F)(F)F ZINC000306567159 360447062 /nfs/dbraw/zinc/44/70/62/360447062.db2.gz ZKPYSCQOXACJQP-ZCFIWIBFSA-N 1 0 207.199 2.266 10 0 BEAERO C[C@H]1CSCC[N@@H+]1CC(=O)C(C)(C)C ZINC000069761241 360409277 /nfs/dbraw/zinc/40/92/77/360409277.db2.gz IFJLGWZPCMRIIL-VIFPVBQESA-N 1 0 215.362 2.039 10 0 BEAERO O=C1CCC[C@@H]1[NH+]1CCC2(CCC2)CC1 ZINC000306547304 360416299 /nfs/dbraw/zinc/41/62/99/360416299.db2.gz XEUJPXJYJGMGGX-NSHDSACASA-N 1 0 207.317 2.374 10 0 BEAERO O=C1CCC[C@H]1[NH+]1CCC2(CCC2)CC1 ZINC000306547299 360416539 /nfs/dbraw/zinc/41/65/39/360416539.db2.gz XEUJPXJYJGMGGX-LLVKDONJSA-N 1 0 207.317 2.374 10 0 BEAERO CSc1nc(C)c(C[NH3+])cc1Cl ZINC000306547026 360417471 /nfs/dbraw/zinc/41/74/71/360417471.db2.gz FHSXPVAVYCUMRI-UHFFFAOYSA-N 1 0 202.710 2.224 10 0 BEAERO [NH2+]=C(NCc1ccccc1)NC1CC=CC1 ZINC000306550483 360421167 /nfs/dbraw/zinc/42/11/67/360421167.db2.gz HOSORPODVVOYOG-UHFFFAOYSA-N 1 0 215.300 2.019 10 0 BEAERO CCN(Cc1ccccc1)C1=[NH+]CCCN1C ZINC000306550903 360424849 /nfs/dbraw/zinc/42/48/49/360424849.db2.gz CREIPLSRAPGGFJ-UHFFFAOYSA-N 1 0 231.343 2.200 10 0 BEAERO CC(C)([NH3+])C[C@@H](F)c1cncc(F)c1 ZINC000306558914 360431725 /nfs/dbraw/zinc/43/17/25/360431725.db2.gz KXXXFNFNJPSGNS-SECBINFHSA-N 1 0 200.232 2.359 10 0 BEAERO CC[NH+](CC)CCNc1ccc(OC)cc1 ZINC000005839794 360498724 /nfs/dbraw/zinc/49/87/24/360498724.db2.gz XUCODAYOWPYRCL-UHFFFAOYSA-N 1 0 222.332 2.449 10 0 BEAERO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000306581686 360478739 /nfs/dbraw/zinc/47/87/39/360478739.db2.gz ZYRBEXCTHKQSGW-DJLDLDEBSA-N 1 0 217.403 2.364 10 0 BEAERO Cc1cc([C@@H]([NH3+])CC[NH3+])sc1Br ZINC000306591091 360505500 /nfs/dbraw/zinc/50/55/00/360505500.db2.gz VIGXNBOKONFZQF-LURJTMIESA-N 1 0 249.177 2.168 10 0 BEAERO C[C@@H]1C[NH+]=C(Nc2ccsc2Cl)N1 ZINC000306593319 360513615 /nfs/dbraw/zinc/51/36/15/360513615.db2.gz ABMAMXYXFKOZMY-RXMQYKEDSA-N 1 0 215.709 2.161 10 0 BEAERO C[C@@H](CC(N)=S)[N@@H+]1CCCC(C)(C)C1 ZINC000069793335 360556125 /nfs/dbraw/zinc/55/61/25/360556125.db2.gz AIGQZLIULOCQRK-VIFPVBQESA-N 1 0 214.378 2.173 10 0 BEAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cn1 ZINC000153819163 360779585 /nfs/dbraw/zinc/77/95/85/360779585.db2.gz QMNQMCPMKFRRJT-CQSZACIVSA-N 1 0 234.343 2.127 10 0 BEAERO CC(C)OC1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000309577377 491152028 /nfs/dbraw/zinc/15/20/28/491152028.db2.gz PJUHADZVMJDNHU-CPCZMJQVSA-N 1 0 227.348 2.101 10 0 BEAERO COc1cc(Cl)cc2c1OCC[C@H]2[NH3+] ZINC000238334391 360884353 /nfs/dbraw/zinc/88/43/53/360884353.db2.gz HYPCZPWEOVDYDI-MRVPVSSYSA-N 1 0 213.664 2.131 10 0 BEAERO C[C@@H](C[NH3+])CNc1ccc(Cl)cc1F ZINC000306613566 361085530 /nfs/dbraw/zinc/08/55/30/361085530.db2.gz KUVVSFXPXHSIMD-ZETCQYMHSA-N 1 0 216.687 2.486 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCSC1)c1ccn(C)c1 ZINC000306613533 361085993 /nfs/dbraw/zinc/08/59/93/361085993.db2.gz KQDUDRLQLKYZMP-KOLCDFICSA-N 1 0 210.346 2.181 10 0 BEAERO Fc1c(Br)cccc1C1C[NH2+]C1 ZINC000238554376 361151779 /nfs/dbraw/zinc/15/17/79/361151779.db2.gz DKZURDCCWREESM-UHFFFAOYSA-N 1 0 230.080 2.275 10 0 BEAERO [NH3+]Cc1cc(OC(F)(F)F)c(Cl)cn1 ZINC000238674663 361176281 /nfs/dbraw/zinc/17/62/81/361176281.db2.gz OFDHUNALOZEUSF-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO C[C@H](c1sccc1Cl)N1CC[NH2+]CC1 ZINC000306622570 361235991 /nfs/dbraw/zinc/23/59/91/361235991.db2.gz ASXWGDZQQIULAT-MRVPVSSYSA-N 1 0 230.764 2.368 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000579007300 366694179 /nfs/dbraw/zinc/69/41/79/366694179.db2.gz ZESHMTXQZRBTGT-MNOVXSKESA-N 1 0 207.321 2.305 10 0 BEAERO [NH3+]C1(C(=O)Nc2cc(F)ccc2F)CCCC1 ZINC000037615987 181329591 /nfs/dbraw/zinc/32/95/91/181329591.db2.gz IGEDQDBSGZBCIH-UHFFFAOYSA-N 1 0 240.253 2.175 10 0 BEAERO [NH3+]C1(C(=O)N[C@H]2CCc3ccccc32)CCCC1 ZINC000037616208 181329809 /nfs/dbraw/zinc/32/98/09/181329809.db2.gz GVCLRZWRYFMHOO-ZDUSSCGKSA-N 1 0 244.338 2.062 10 0 BEAERO CC[C@H]1CCCC[N@@H+]1Cc1ccc(=O)n(C)c1 ZINC000065285847 361374586 /nfs/dbraw/zinc/37/45/86/361374586.db2.gz CIENDJZRYBZVIL-ZDUSSCGKSA-N 1 0 234.343 2.150 10 0 BEAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCCC[C@H]1O ZINC000249004766 325632259 /nfs/dbraw/zinc/63/22/59/325632259.db2.gz NQVGTOPMCNTXMX-KGYLQXTDSA-N 1 0 211.349 2.458 10 0 BEAERO [NH3+]C1(c2cc(Br)cs2)CC1 ZINC000070599499 181333573 /nfs/dbraw/zinc/33/35/73/181333573.db2.gz ROLHRAORMNMMNS-UHFFFAOYSA-N 1 0 218.119 2.458 10 0 BEAERO [NH3+]C1(c2ccc3c(c2)CCO3)CCCC1 ZINC000082925869 181333965 /nfs/dbraw/zinc/33/39/65/181333965.db2.gz VFOUOLXPKKXBID-UHFFFAOYSA-N 1 0 203.285 2.350 10 0 BEAERO [NH3+]C1(c2ccc(F)c(F)c2F)CCC1 ZINC000075934040 181333505 /nfs/dbraw/zinc/33/35/05/181333505.db2.gz FKSYKFXRIQQJGW-UHFFFAOYSA-N 1 0 201.191 2.442 10 0 BEAERO [NH3+]C1(c2cccc([C@H]3CCOC3)c2)CC1 ZINC000095938200 181335625 /nfs/dbraw/zinc/33/56/25/181335625.db2.gz ACZFMDFLUWXYPF-NSHDSACASA-N 1 0 203.285 2.138 10 0 BEAERO [NH3+]C1(c2cccc([C@@H]3CCOC3)c2)CC1 ZINC000095938199 181334964 /nfs/dbraw/zinc/33/49/64/181334964.db2.gz ACZFMDFLUWXYPF-LLVKDONJSA-N 1 0 203.285 2.138 10 0 BEAERO C[C@@H](O)[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000041216328 361464565 /nfs/dbraw/zinc/46/45/65/361464565.db2.gz CNPLPEJYKJAOLH-BXKDBHETSA-N 1 0 207.317 2.365 10 0 BEAERO CCN(Cc1ccoc1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000629599352 361486032 /nfs/dbraw/zinc/48/60/32/361486032.db2.gz DVVPFMBJOOIQJD-GFCCVEGCSA-N 1 0 238.331 2.002 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H](C)CC2CCC2)[C@@H](C)C1 ZINC000309975086 491159226 /nfs/dbraw/zinc/15/92/26/491159226.db2.gz SCYQNWHKTVGTAA-OBJOEFQTSA-N 1 0 224.392 2.495 10 0 BEAERO [NH2+]=C1N[C@H](c2ccco2)Cc2ccccc21 ZINC000013911321 181339300 /nfs/dbraw/zinc/33/93/00/181339300.db2.gz MHTRUYAUQNWPBC-NSHDSACASA-N 1 0 212.252 2.282 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc2cccnc21 ZINC000036872665 361573470 /nfs/dbraw/zinc/57/34/70/361573470.db2.gz GOQOMEXALKGMDM-LLVKDONJSA-N 1 0 243.310 2.301 10 0 BEAERO CN(C)C(=[NH2+])c1ccc(Br)s1 ZINC000070598090 361581781 /nfs/dbraw/zinc/58/17/81/361581781.db2.gz VHYGRFPTRABIJE-UHFFFAOYSA-N 1 0 233.134 2.398 10 0 BEAERO CCNC(=[NH2+])c1cc(Br)cs1 ZINC000070599552 361582585 /nfs/dbraw/zinc/58/25/85/361582585.db2.gz AOSUXYUUHJBBNP-UHFFFAOYSA-N 1 0 233.134 2.445 10 0 BEAERO CN(C)C(=[NH2+])c1cc(Br)cs1 ZINC000070599559 361582925 /nfs/dbraw/zinc/58/29/25/361582925.db2.gz ZUNLODPNNQIVAY-UHFFFAOYSA-N 1 0 233.134 2.398 10 0 BEAERO COCCc1ccc(-c2ncc(C[NH3+])s2)cc1 ZINC000629700224 361630706 /nfs/dbraw/zinc/63/07/06/361630706.db2.gz HXXZTRDVSPPQQF-UHFFFAOYSA-N 1 0 248.351 2.458 10 0 BEAERO Clc1cccnc1S[C@@H]1CC[NH2+]C1 ZINC000070615601 361631418 /nfs/dbraw/zinc/63/14/18/361631418.db2.gz RLGGJOSLSYFWOZ-SSDOTTSWSA-N 1 0 214.721 2.189 10 0 BEAERO CCOC[C@@H](C)[NH2+]Cc1ccc(O)c(F)c1 ZINC000153452638 201237948 /nfs/dbraw/zinc/23/79/48/201237948.db2.gz RCRQDCCOYUWIAA-SECBINFHSA-N 1 0 227.279 2.046 10 0 BEAERO [NH3+]C1CCC(Nc2cnnc3ccccc32)CC1 ZINC000104430614 181342232 /nfs/dbraw/zinc/34/22/32/181342232.db2.gz ZPGONEKPNXGZNS-UHFFFAOYSA-N 1 0 242.326 2.312 10 0 BEAERO [NH3+]C1CCC(Oc2cccc(F)c2)CC1 ZINC000055144011 181342297 /nfs/dbraw/zinc/34/22/97/181342297.db2.gz LJBSTJVTTFIWFL-UHFFFAOYSA-N 1 0 209.264 2.474 10 0 BEAERO [NH3+]C1CCC([S@](=O)c2ccccc2F)CC1 ZINC000055144799 181342359 /nfs/dbraw/zinc/34/23/59/181342359.db2.gz PZLKCTLXGYMDPU-UDUZUONDSA-N 1 0 241.331 2.203 10 0 BEAERO [NH3+]C1CCC(c2nncn2C2CCCC2)CC1 ZINC000054526342 181342406 /nfs/dbraw/zinc/34/24/06/181342406.db2.gz VHSDLRBUPUZLGF-UHFFFAOYSA-N 1 0 234.347 2.378 10 0 BEAERO Cc1ccc([C@H]2OCCC[C@H]2C[NH3+])s1 ZINC000070627339 361681073 /nfs/dbraw/zinc/68/10/73/361681073.db2.gz FXOLENPHVMMRHK-ONGXEEELSA-N 1 0 211.330 2.483 10 0 BEAERO Cc1cnn(CC[NH2+]C2CC3(CCC3)C2)c1 ZINC000436469704 201325815 /nfs/dbraw/zinc/32/58/15/201325815.db2.gz FBIZNOLMWFLFTC-UHFFFAOYSA-N 1 0 219.332 2.114 10 0 BEAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC000040749548 181344555 /nfs/dbraw/zinc/34/45/55/181344555.db2.gz AWOQVMYZSPPFOC-YHWZYXNKSA-N 1 0 236.359 2.047 10 0 BEAERO C(SC1CCCCC1)[C@H]1C[NH2+]CCO1 ZINC000070649840 361695736 /nfs/dbraw/zinc/69/57/36/361695736.db2.gz ACQVLHFWTSVXRR-SNVBAGLBSA-N 1 0 215.362 2.041 10 0 BEAERO NC(=S)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000070663109 361708247 /nfs/dbraw/zinc/70/82/47/361708247.db2.gz SKFDUJSFCFQDAV-SNVBAGLBSA-N 1 0 212.362 2.070 10 0 BEAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cn1 ZINC000156011461 201382224 /nfs/dbraw/zinc/38/22/24/201382224.db2.gz KYUGZYYKLVFHBF-KBPBESRZSA-N 1 0 234.343 2.031 10 0 BEAERO C[C@H]1CCC[N@H+](Cc2ccc(C=O)o2)C1 ZINC000161262938 363865940 /nfs/dbraw/zinc/86/59/40/363865940.db2.gz HCZZXPYAZYNLEY-JTQLQIEISA-N 1 0 207.273 2.324 10 0 BEAERO C[C@H]([C@H]1[NH2+]CCc2nc[nH]c21)C(C)(C)C ZINC000400372165 541308634 /nfs/dbraw/zinc/30/86/34/541308634.db2.gz BFCJCHLLSPZVLX-PSASIEDQSA-N 1 0 207.321 2.279 10 0 BEAERO CC(C)CC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725263922 541337170 /nfs/dbraw/zinc/33/71/70/541337170.db2.gz BZJJWIZZFSMGLW-GFCCVEGCSA-N 1 0 238.375 2.071 10 0 BEAERO COCC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273484 541340460 /nfs/dbraw/zinc/34/04/60/541340460.db2.gz GTPFPCCSIMKOCE-UHFFFAOYSA-N 1 0 241.375 2.350 10 0 BEAERO COC(=O)C1(C2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000725272930 541340686 /nfs/dbraw/zinc/34/06/86/541340686.db2.gz VQGYWGNRQUQQKE-UHFFFAOYSA-N 1 0 237.343 2.110 10 0 BEAERO CC[C@@H]1[NH2+]CC[C@H]1N=c1[nH]c2ccccc2s1 ZINC000630526250 364213697 /nfs/dbraw/zinc/21/36/97/364213697.db2.gz BSGHCGQKCSDMJY-VHSXEESVSA-N 1 0 247.367 2.271 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H]1CC[NH2+][C@H]1C ZINC000630543477 364238924 /nfs/dbraw/zinc/23/89/24/364238924.db2.gz CGIRUYXHQISQRJ-GXSJLCMTSA-N 1 0 242.326 2.101 10 0 BEAERO CC(C)c1cnc(NC2CC[NH2+]CC2)s1 ZINC000630549334 364242716 /nfs/dbraw/zinc/24/27/16/364242716.db2.gz LXJXPLSVSUBVPX-UHFFFAOYSA-N 1 0 225.361 2.430 10 0 BEAERO Cc1cccc(NC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000630580107 364277788 /nfs/dbraw/zinc/27/77/88/364277788.db2.gz BFACJBJIBZWGSI-NEPJUHHUSA-N 1 0 247.342 2.054 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ncnc3ccsc32)C[NH2+]1 ZINC000630533784 364225773 /nfs/dbraw/zinc/22/57/73/364225773.db2.gz RHESHPZUFPGXKC-DTWKUNHWSA-N 1 0 248.355 2.244 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ncccc2Cl)C[NH2+]1 ZINC000630533657 364225920 /nfs/dbraw/zinc/22/59/20/364225920.db2.gz FRNKEWJRYAENQL-DTWKUNHWSA-N 1 0 225.723 2.287 10 0 BEAERO C[C@H]1CC[C@H](Nc2ccc(Cl)cn2)C[NH2+]1 ZINC000630534211 364227349 /nfs/dbraw/zinc/22/73/49/364227349.db2.gz JABYMVZTFUSWDR-WPRPVWTQSA-N 1 0 225.723 2.287 10 0 BEAERO CCc1cc(CC)nc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534327 364228914 /nfs/dbraw/zinc/22/89/14/364228914.db2.gz WFCPEPQNIYESCA-MFKMUULPSA-N 1 0 248.374 2.154 10 0 BEAERO [NH3+]CC1(c2ccc(C(F)(F)F)nc2)CC1 ZINC000095761253 181361222 /nfs/dbraw/zinc/36/12/22/181361222.db2.gz JAOFAAHRVHGPNW-UHFFFAOYSA-N 1 0 216.206 2.091 10 0 BEAERO [NH3+]CC1(OC[C@@H]2CCCCO2)CCCCC1 ZINC000050490061 181361547 /nfs/dbraw/zinc/36/15/47/181361547.db2.gz PHTHAIMEXLXHQX-LBPRGKRZSA-N 1 0 227.348 2.234 10 0 BEAERO [NH3+]CC1(OC2CCOCC2)CCCCCC1 ZINC000050485753 181361636 /nfs/dbraw/zinc/36/16/36/181361636.db2.gz KFXDTVCFKPEKKO-UHFFFAOYSA-N 1 0 227.348 2.234 10 0 BEAERO COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H](C)CO ZINC000135125822 541361905 /nfs/dbraw/zinc/36/19/05/541361905.db2.gz RRIPGLDGXXHUTN-ZJUUUORDSA-N 1 0 241.306 2.113 10 0 BEAERO CC1CCC(C[NH2+]CCCn2cncn2)CC1 ZINC000381796929 541365550 /nfs/dbraw/zinc/36/55/50/541365550.db2.gz OVTJRKRCBVBNEP-UHFFFAOYSA-N 1 0 236.363 2.084 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C)C12CCC2 ZINC000247124851 364618934 /nfs/dbraw/zinc/61/89/34/364618934.db2.gz WGPDCOZKZKQQEV-WISYIIOYSA-N 1 0 209.333 2.332 10 0 BEAERO Cc1ccc([C@H](O)CC[NH3+])cc1Br ZINC000130702392 364667366 /nfs/dbraw/zinc/66/73/66/364667366.db2.gz MTUMPUMRNUZDFQ-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO [NH3+]CCC(=O)c1cc(Br)ccc1F ZINC000083256199 181370283 /nfs/dbraw/zinc/37/02/83/181370283.db2.gz WKHGHVLHMFAFGJ-UHFFFAOYSA-N 1 0 246.079 2.120 10 0 BEAERO C[C@H](N[C@@H]1CSC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000393852984 541375911 /nfs/dbraw/zinc/37/59/11/541375911.db2.gz OICIYLBQWSZNIZ-HBNTYKKESA-N 1 0 228.405 2.001 10 0 BEAERO [NH3+]CCC(=O)c1ccc(F)c(Cl)c1 ZINC000082592117 181370663 /nfs/dbraw/zinc/37/06/63/181370663.db2.gz AUPSMOIUSWEWLA-UHFFFAOYSA-N 1 0 201.628 2.011 10 0 BEAERO [NH3+]CCCCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819525 181373323 /nfs/dbraw/zinc/37/33/23/181373323.db2.gz CAMPKFINLCDSEE-CYBMUJFWSA-N 1 0 249.358 2.197 10 0 BEAERO Cc1nc(C[NH3+])sc1-c1cc(N)ccc1C ZINC000669380641 541437062 /nfs/dbraw/zinc/43/70/62/541437062.db2.gz OORMZVLYZWCEAU-UHFFFAOYSA-N 1 0 233.340 2.468 10 0 BEAERO [NH3+]CCCN(CC1CC1)c1ccccc1F ZINC000036765316 181379821 /nfs/dbraw/zinc/37/98/21/181379821.db2.gz QWKRCWODKHACLC-UHFFFAOYSA-N 1 0 222.307 2.391 10 0 BEAERO [NH3+]CCCNc1nccc2sccc21 ZINC000035687663 181383869 /nfs/dbraw/zinc/38/38/69/181383869.db2.gz UEARCZRNQQTNJA-UHFFFAOYSA-N 1 0 207.302 2.057 10 0 BEAERO [NH3+]CCCOc1cccc(C(F)(F)F)c1 ZINC000019841299 181384358 /nfs/dbraw/zinc/38/43/58/181384358.db2.gz JWKPIZCJXBSQKR-UHFFFAOYSA-N 1 0 219.206 2.433 10 0 BEAERO [NH3+]CCCSc1nc2ccccc2o1 ZINC000019811162 181384890 /nfs/dbraw/zinc/38/48/90/181384890.db2.gz UBPYEPPDFVRDRS-UHFFFAOYSA-N 1 0 208.286 2.269 10 0 BEAERO [NH3+]CCC[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000084536731 181385298 /nfs/dbraw/zinc/38/52/98/181385298.db2.gz MRGMYRRILMAPQP-CYBMUJFWSA-N 1 0 238.375 2.297 10 0 BEAERO [NH3+]CCCc1nc2cc(F)ccc2s1 ZINC000037205183 181387244 /nfs/dbraw/zinc/38/72/44/181387244.db2.gz UCEATBNFGQPPAF-UHFFFAOYSA-N 1 0 210.277 2.327 10 0 BEAERO [NH3+]CCCc1n[nH]c2cc(Cl)ccc21 ZINC000075618573 181387334 /nfs/dbraw/zinc/38/73/34/181387334.db2.gz HUPHSVATKIAFCA-UHFFFAOYSA-N 1 0 209.680 2.108 10 0 BEAERO [NH3+]CCCc1noc(C2(c3ccccc3)CC2)n1 ZINC000061618611 181388203 /nfs/dbraw/zinc/38/82/03/181388203.db2.gz DFZJZSJOZCLVCX-UHFFFAOYSA-N 1 0 243.310 2.041 10 0 BEAERO [NH3+]CCCc1nnc(-c2ccccc2Cl)o1 ZINC000011585924 181388260 /nfs/dbraw/zinc/38/82/60/181388260.db2.gz RIJDVJUUGYLHGV-UHFFFAOYSA-N 1 0 237.690 2.281 10 0 BEAERO [NH3+]CCCc1nnc(C2CCCCCC2)o1 ZINC000053716354 181388574 /nfs/dbraw/zinc/38/85/74/181388574.db2.gz VLVYMWJLQCSTGD-UHFFFAOYSA-N 1 0 223.320 2.399 10 0 BEAERO [NH3+]CCN(Cc1ccccn1)CC1CCCCC1 ZINC000076633097 181390141 /nfs/dbraw/zinc/39/01/41/181390141.db2.gz KNMPPUKNGVSABF-UHFFFAOYSA-N 1 0 247.386 2.423 10 0 BEAERO [NH3+]CCN(Cc1ccccc1)c1nccs1 ZINC000038033131 181390588 /nfs/dbraw/zinc/39/05/88/181390588.db2.gz AMUZCZZXOFCAQZ-UHFFFAOYSA-N 1 0 233.340 2.108 10 0 BEAERO [NH3+]CCN(Cc1cccs1)Cc1ccccn1 ZINC000076632844 181390660 /nfs/dbraw/zinc/39/06/60/181390660.db2.gz KWYCHNCISAURHX-UHFFFAOYSA-N 1 0 247.367 2.104 10 0 BEAERO [NH3+]CCN(Cc1cccs1)Cc1cccnc1 ZINC000076632846 181390811 /nfs/dbraw/zinc/39/08/11/181390811.db2.gz FYJBQLMUCFQYKY-UHFFFAOYSA-N 1 0 247.367 2.104 10 0 BEAERO [NH3+]CCN(Cc1ccncc1)CC1CCCCC1 ZINC000076633104 181391015 /nfs/dbraw/zinc/39/10/15/181391015.db2.gz LZBPXSMFQWFKCL-UHFFFAOYSA-N 1 0 247.386 2.423 10 0 BEAERO [NH3+]CCNc1cc(Cl)cc(Cl)c1 ZINC000019732762 181397963 /nfs/dbraw/zinc/39/79/63/181397963.db2.gz TZRASYLGHOKHAN-UHFFFAOYSA-N 1 0 205.088 2.364 10 0 BEAERO [NH3+]CCNc1nc2c(cccc2Cl)s1 ZINC000062201958 181398629 /nfs/dbraw/zinc/39/86/29/181398629.db2.gz QIDNUNDPLYJXNZ-UHFFFAOYSA-N 1 0 227.720 2.320 10 0 BEAERO [NH3+]CCOCCc1cccc(C(F)(F)F)c1 ZINC000057953750 181399614 /nfs/dbraw/zinc/39/96/14/181399614.db2.gz ILMBQQHHKRPMKS-UHFFFAOYSA-N 1 0 233.233 2.223 10 0 BEAERO CCC[C@H](C)C(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125053585 541452010 /nfs/dbraw/zinc/45/20/10/541452010.db2.gz OGQQJKIKEOZTNF-RYUDHWBXSA-N 1 0 226.364 2.153 10 0 BEAERO [NH3+]CCSCCOc1ccc(F)c(F)c1 ZINC000020399415 181401385 /nfs/dbraw/zinc/40/13/85/181401385.db2.gz WZEUMHKZTOAAMU-UHFFFAOYSA-N 1 0 233.283 2.036 10 0 BEAERO [NH3+]CC[C@H](O)CCOc1cccc2c1CCCC2 ZINC000041304457 181408163 /nfs/dbraw/zinc/40/81/63/181408163.db2.gz WTKXTWKVRAJRFR-ZDUSSCGKSA-N 1 0 249.354 2.044 10 0 BEAERO CCCCN(C)[C@H](C[NH3+])c1nc(C)c(C)s1 ZINC000077388913 168784813 /nfs/dbraw/zinc/78/48/13/168784813.db2.gz QQXPCAFEHVFFIH-LLVKDONJSA-N 1 0 241.404 2.492 10 0 BEAERO [NH3+]CCc1cc(F)ccc1Sc1ccncn1 ZINC000104448383 181411813 /nfs/dbraw/zinc/41/18/13/181411813.db2.gz YSQJPBVRUDNTGO-UHFFFAOYSA-N 1 0 249.314 2.268 10 0 BEAERO [NH3+]CCc1ccc(OC(=O)c2ccccc2)cc1 ZINC000003603663 181412131 /nfs/dbraw/zinc/41/21/31/181412131.db2.gz PNWXFZWRLOIYSY-UHFFFAOYSA-N 1 0 241.290 2.407 10 0 BEAERO [NH3+]CCc1cncc(C(F)(F)F)c1Cl ZINC000095768285 181412873 /nfs/dbraw/zinc/41/28/73/181412873.db2.gz KLGRBSNUSYNGJE-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]CCc1csc(CCc2ccccc2)n1 ZINC000041259545 181413237 /nfs/dbraw/zinc/41/32/37/181413237.db2.gz ZMSXMGPECNNLOJ-UHFFFAOYSA-N 1 0 232.352 2.430 10 0 BEAERO [NH3+]CCc1nnc([C@@H]2CCCc3ccccc32)o1 ZINC000054669749 181414449 /nfs/dbraw/zinc/41/44/49/181414449.db2.gz FHBSLGCLKYKDEH-GFCCVEGCSA-N 1 0 243.310 2.039 10 0 BEAERO [NH3+]CCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000095767955 181411502 /nfs/dbraw/zinc/41/15/02/181411502.db2.gz SDBAIYOEWXVRSG-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]CCc1cc(C(F)(F)F)cnc1Cl ZINC000095768233 181411646 /nfs/dbraw/zinc/41/16/46/181411646.db2.gz HNBFEFIOJJOVFP-UHFFFAOYSA-N 1 0 224.613 2.255 10 0 BEAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1ncccn1 ZINC000035722232 181426793 /nfs/dbraw/zinc/42/67/93/181426793.db2.gz USDPBOOLADQJGQ-QWRGUYRKSA-N 1 0 237.372 2.476 10 0 BEAERO CC[C@@H](C)CN(C)Cc1nnc(C(C)C)n1C ZINC000171947624 365260308 /nfs/dbraw/zinc/26/03/08/365260308.db2.gz MLECQTOMTQXFAG-LLVKDONJSA-N 1 0 238.379 2.416 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000576003246 365445412 /nfs/dbraw/zinc/44/54/12/365445412.db2.gz PSJQQZCVINLUAA-GHMZBOCLSA-N 1 0 215.312 2.162 10 0 BEAERO CCc1nnc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)n1C ZINC000173806515 365446412 /nfs/dbraw/zinc/44/64/12/365446412.db2.gz OSXGTXUDHQCHRN-NEPJUHHUSA-N 1 0 248.374 2.142 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000576173405 365510345 /nfs/dbraw/zinc/51/03/45/365510345.db2.gz OXLMXPRGCMSYKV-NEPJUHHUSA-N 1 0 208.349 2.003 10 0 BEAERO Cc1cc2c(cc1C)OC[C@@H]([C@H](C)[NH3+])C2 ZINC000675063942 541465753 /nfs/dbraw/zinc/46/57/53/541465753.db2.gz UPDFUCRMOYYHAF-JQWIXIFHSA-N 1 0 205.301 2.202 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000380376296 367194987 /nfs/dbraw/zinc/19/49/87/367194987.db2.gz IKFWATXFPWELRU-OLZOCXBDSA-N 1 0 243.391 2.284 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H](C)[C@H](C)[NH3+] ZINC000381410018 367396812 /nfs/dbraw/zinc/39/68/12/367396812.db2.gz XOMTWAGMFHMYBX-IUCAKERBSA-N 1 0 230.315 2.086 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2nccc3occc32)C1 ZINC000382477427 367529554 /nfs/dbraw/zinc/52/95/54/367529554.db2.gz UJPHRAJKYKTKDE-NXEZZACHSA-N 1 0 231.299 2.367 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]CC1(F)CC1 ZINC000382249338 367501155 /nfs/dbraw/zinc/50/11/55/367501155.db2.gz USBLVIZODVFIPE-GHMZBOCLSA-N 1 0 215.312 2.139 10 0 BEAERO CCCN(CC1CC1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384296186 367682789 /nfs/dbraw/zinc/68/27/89/367682789.db2.gz XIGLYXRBUKIZAW-AAEUAGOBSA-N 1 0 238.375 2.023 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384501093 367694020 /nfs/dbraw/zinc/69/40/20/367694020.db2.gz CKJAHLIZIPEMBT-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC1CCCCC1 ZINC000384869462 367747300 /nfs/dbraw/zinc/74/73/00/367747300.db2.gz OMJZOTIKGOBUJZ-YPMHNXCESA-N 1 0 211.349 2.412 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000035235846 181433232 /nfs/dbraw/zinc/43/32/32/181433232.db2.gz HCOLBPYBRCPCQX-QWHCGFSZSA-N 1 0 205.301 2.331 10 0 BEAERO [NH3+]C[C@@H]1CCN(c2ccc(F)cc2Cl)C1 ZINC000020595359 181434015 /nfs/dbraw/zinc/43/40/15/181434015.db2.gz GRQDIGAGGDNECA-QMMMGPOBSA-N 1 0 228.698 2.264 10 0 BEAERO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000385239738 367812634 /nfs/dbraw/zinc/81/26/34/367812634.db2.gz UUHFPDFVFRDNRA-UTUOFQBUSA-N 1 0 213.365 2.418 10 0 BEAERO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000385239736 367812642 /nfs/dbraw/zinc/81/26/42/367812642.db2.gz UUHFPDFVFRDNRA-IJLUTSLNSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000385078912 367784914 /nfs/dbraw/zinc/78/49/14/367784914.db2.gz HMUZBFRNONNXTR-VWYCJHECSA-N 1 0 233.302 2.267 10 0 BEAERO CCCNC(=[NH2+])[C@H]1SCCS[C@H]1C ZINC000252722174 367893822 /nfs/dbraw/zinc/89/38/22/367893822.db2.gz PVCZUHRIGWVKOU-YUMQZZPRSA-N 1 0 218.391 2.200 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000087685582 368003292 /nfs/dbraw/zinc/00/32/92/368003292.db2.gz QFMRNNFCPWCCAP-QJPTWQEYSA-N 1 0 229.389 2.165 10 0 BEAERO Cc1cnc(N[C@H]2CCCC[C@H]2C[NH3+])nc1C ZINC000386633852 368005175 /nfs/dbraw/zinc/00/51/75/368005175.db2.gz GZHPQQIYXLAWEV-RYUDHWBXSA-N 1 0 234.347 2.023 10 0 BEAERO Cc1cnc(N[C@@H](C[NH3+])C2CCCCC2)nc1C ZINC000386712512 368012009 /nfs/dbraw/zinc/01/20/09/368012009.db2.gz XLOZPXWEDOTEPG-ZDUSSCGKSA-N 1 0 248.374 2.413 10 0 BEAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccccc1)[C@@H]2C=O ZINC000038764017 368327608 /nfs/dbraw/zinc/32/76/08/368327608.db2.gz QRROQHRRLWMVPB-LJISPDSOSA-N 1 0 229.323 2.452 10 0 BEAERO [NH3+]Cc1ncc(Sc2ccccc2)cn1 ZINC000222515240 368361019 /nfs/dbraw/zinc/36/10/19/368361019.db2.gz UDXPUXACNHMITE-UHFFFAOYSA-N 1 0 217.297 2.087 10 0 BEAERO COC(=O)/C=C1\CCC[N@H+](Cc2ccccc2)C1 ZINC000211626112 368361181 /nfs/dbraw/zinc/36/11/81/368361181.db2.gz PETMGASBJCUITG-GXDHUFHOSA-N 1 0 245.322 2.382 10 0 BEAERO CC(C)N1CC[C@@H]([NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000101630933 368380647 /nfs/dbraw/zinc/38/06/47/368380647.db2.gz NYTMJOXACKSUEO-CHWSQXEVSA-N 1 0 240.297 2.447 10 0 BEAERO C[C@H]1Cc2ccccc2N([C@H]2CC[NH2+]C2)C1 ZINC000101628379 368381641 /nfs/dbraw/zinc/38/16/41/368381641.db2.gz XVHNUQIVAVFLQU-AAEUAGOBSA-N 1 0 216.328 2.047 10 0 BEAERO CCOC(=O)CC1CCC2(CC[NH2+]CC2)CC1 ZINC000113655304 368385316 /nfs/dbraw/zinc/38/53/16/368385316.db2.gz IEGLNJMIAVNESK-UHFFFAOYSA-N 1 0 239.359 2.500 10 0 BEAERO [NH3+]C[C@@H]1CCSc2ccc(F)cc2C1 ZINC000082373303 181435685 /nfs/dbraw/zinc/43/56/85/181435685.db2.gz SUYYHNLHEQTXIX-MRVPVSSYSA-N 1 0 211.305 2.439 10 0 BEAERO CC(C)(C)OC(=O)N[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000105641732 368451637 /nfs/dbraw/zinc/45/16/37/368451637.db2.gz COJNHDCEWDUHMX-MFKMUULPSA-N 1 0 240.347 2.043 10 0 BEAERO CC(C)(C)OC(=O)N[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000105641739 368451974 /nfs/dbraw/zinc/45/19/74/368451974.db2.gz COJNHDCEWDUHMX-GWCFXTLKSA-N 1 0 240.347 2.043 10 0 BEAERO C[C@@H]1CC[N@@H+](C2CCC(=O)CC2)C[C@H]1C ZINC000253137790 368543275 /nfs/dbraw/zinc/54/32/75/368543275.db2.gz UPOIARXMVDAKNS-GHMZBOCLSA-N 1 0 209.333 2.476 10 0 BEAERO CC[C@@H]1CCC[C@H](C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000253159267 368568421 /nfs/dbraw/zinc/56/84/21/368568421.db2.gz IKTDLBOEDBIVOA-WOPDTQHZSA-N 1 0 209.333 2.381 10 0 BEAERO CC1CCC([N@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000061799083 368572175 /nfs/dbraw/zinc/57/21/75/368572175.db2.gz SPNIMZSDYLOCHG-UHFFFAOYSA-N 1 0 240.391 2.412 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](COCCCc2ccccc2)O1 ZINC000052705573 181436451 /nfs/dbraw/zinc/43/64/51/181436451.db2.gz KRVWVFFLFIIZCK-LSDHHAIUSA-N 1 0 249.354 2.142 10 0 BEAERO CCO[C@@H](C1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000002010284 368735416 /nfs/dbraw/zinc/73/54/16/368735416.db2.gz QQBOGZMGQOAYOZ-CMPLNLGQSA-N 1 0 218.300 2.154 10 0 BEAERO CCCC1(c2cccc(OC)c2)C[NH2+]C1 ZINC000002016494 368735003 /nfs/dbraw/zinc/73/50/03/368735003.db2.gz HFYKQNOJNNJVAS-UHFFFAOYSA-N 1 0 205.301 2.336 10 0 BEAERO C[NH2+][C@H](Cc1cccc(C)c1)[C@@H]1CCCO1 ZINC000083713264 368808193 /nfs/dbraw/zinc/80/81/93/368808193.db2.gz VILPWTPEIBBXHY-KGLIPLIRSA-N 1 0 219.328 2.305 10 0 BEAERO CC(C)[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000088837201 368930481 /nfs/dbraw/zinc/93/04/81/368930481.db2.gz LBYAMEQRWTXPGM-QWHCGFSZSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000088837200 368930674 /nfs/dbraw/zinc/93/06/74/368930674.db2.gz LBYAMEQRWTXPGM-STQMWFEESA-N 1 0 238.375 2.023 10 0 BEAERO Cc1nnc(C[NH2+][C@H](C)C(C)(C)C)n1C1CC1 ZINC000114475240 368942756 /nfs/dbraw/zinc/94/27/56/368942756.db2.gz CDLMAXRVCHHNCS-SECBINFHSA-N 1 0 236.363 2.446 10 0 BEAERO [NH3+][C@@H]1COc2cccc(-c3ccncc3)c2C1 ZINC000114687809 368946733 /nfs/dbraw/zinc/94/67/33/368946733.db2.gz NDDSEORMEQKAFN-NSHDSACASA-N 1 0 226.279 2.011 10 0 BEAERO CCOC(=O)CC[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000090981415 368949298 /nfs/dbraw/zinc/94/92/98/368949298.db2.gz GPSXFVFQPHUABL-CYBMUJFWSA-N 1 0 247.338 2.211 10 0 BEAERO CC[N@@H+]1CCCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616614097 369102905 /nfs/dbraw/zinc/10/29/05/369102905.db2.gz IGWQWZWFKPLRQV-CYBMUJFWSA-N 1 0 232.327 2.332 10 0 BEAERO CN1CCc2ccccc2[C@H]1c1cocn1 ZINC000616585930 369096559 /nfs/dbraw/zinc/09/65/59/369096559.db2.gz SHXMQHCBOGNTPD-ZDUSSCGKSA-N 1 0 214.268 2.252 10 0 BEAERO [NH3+]C[C@H](c1ccc(Cl)s1)n1cccn1 ZINC000043254288 181453812 /nfs/dbraw/zinc/45/38/12/181453812.db2.gz CFQKRCDNMRLUKK-SSDOTTSWSA-N 1 0 227.720 2.146 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1SC1CCOCC1 ZINC000062055169 181457767 /nfs/dbraw/zinc/45/77/67/181457767.db2.gz PVLJIJOWVBJEQB-PWSUYJOCSA-N 1 0 229.389 2.416 10 0 BEAERO [NH3+]Cc1ccc(-n2ccnc2)cc1C(F)(F)F ZINC000036805701 181479383 /nfs/dbraw/zinc/47/93/83/181479383.db2.gz RDVPXIOETDTRDO-UHFFFAOYSA-N 1 0 241.216 2.350 10 0 BEAERO Clc1ccc([C@H]2C[C@@H]3CC[C@H]2[NH2+]3)cn1 ZINC000000402872 369389216 /nfs/dbraw/zinc/38/92/16/369389216.db2.gz NLPRAJRHRHZCQQ-IVZWLZJFSA-N 1 0 208.692 2.343 10 0 in-vivo BEAERO CC[C@@H](C)NC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459780435 203365523 /nfs/dbraw/zinc/36/55/23/203365523.db2.gz VIMKYPAYAZIXBU-LLVKDONJSA-N 1 0 238.375 2.214 10 0 BEAERO [NH3+]Cc1ccc(Cn2cc(Cl)cn2)c(F)c1 ZINC000038053336 181483540 /nfs/dbraw/zinc/48/35/40/181483540.db2.gz JLJVXSCVRMITPO-UHFFFAOYSA-N 1 0 239.681 2.183 10 0 BEAERO [NH3+]Cc1ccc(Br)c2[nH]ccc21 ZINC000082360983 181480976 /nfs/dbraw/zinc/48/09/76/181480976.db2.gz AGLLZAUWSDXLQX-UHFFFAOYSA-N 1 0 225.089 2.389 10 0 BEAERO [NH3+]Cc1ccc([C@H](O)COc2ccccc2)cc1 ZINC000035727843 181486953 /nfs/dbraw/zinc/48/69/53/181486953.db2.gz RMXFIESOPVLOEY-OAHLLOKOSA-N 1 0 243.306 2.258 10 0 BEAERO c1cc(CNCc2ccnc3ccccc23)n[nH]1 ZINC000111753959 370173974 /nfs/dbraw/zinc/17/39/74/370173974.db2.gz QKAHYBRADXQFMY-UHFFFAOYSA-N 1 0 238.294 2.248 10 0 BEAERO C[C@@H]1CCN[C@H](c2cncs2)S1 ZINC000161613407 370604464 /nfs/dbraw/zinc/60/44/64/370604464.db2.gz OEFJLVYJDDFLFL-SVRRBLITSA-N 1 0 200.332 2.257 10 0 BEAERO C[C@H]([NH3+])c1cnc(-c2nccs2)s1 ZINC000161602185 370568366 /nfs/dbraw/zinc/56/83/66/370568366.db2.gz CXIICBKPSUNCDI-YFKPBYRVSA-N 1 0 211.315 2.286 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)[C@@H]1CCCCO1 ZINC000623896898 371145461 /nfs/dbraw/zinc/14/54/61/371145461.db2.gz BSLNVRSYVOYJTD-DGAVXFQQSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)n1 ZINC000623871540 371135861 /nfs/dbraw/zinc/13/58/61/371135861.db2.gz HGPIQNRNQQCWJI-HBNTYKKESA-N 1 0 240.372 2.406 10 0 BEAERO [NH3+][C@@H](COc1ccccc1)c1ccc[nH]1 ZINC000011848758 181550899 /nfs/dbraw/zinc/55/08/99/181550899.db2.gz YFHCNOQOUMLYIC-NSHDSACASA-N 1 0 202.257 2.094 10 0 BEAERO CSCCCC[NH2+]Cc1nccs1 ZINC000124929721 371258147 /nfs/dbraw/zinc/25/81/47/371258147.db2.gz FFNFLIXRNACRRW-UHFFFAOYSA-N 1 0 216.375 2.376 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccncc1Br ZINC000631063950 371241995 /nfs/dbraw/zinc/24/19/95/371241995.db2.gz PDGPHGRMHKYNBW-OIBJUYFYSA-N 1 0 241.132 2.342 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](c2ccc3c(c2)OCCCO3)C1 ZINC000077366369 181592383 /nfs/dbraw/zinc/59/23/83/181592383.db2.gz GBDMPAQLHRKIOO-ZYHUDNBSSA-N 1 0 233.311 2.443 10 0 BEAERO [NH3+][C@H](C[C@H]1CCCO1)c1cccc(F)c1 ZINC000037466765 181623410 /nfs/dbraw/zinc/62/34/10/181623410.db2.gz OSUJPJBPFAPKKW-VXGBXAGGSA-N 1 0 209.264 2.395 10 0 BEAERO [NH3+][C@H](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000037466805 181625853 /nfs/dbraw/zinc/62/58/53/181625853.db2.gz HYLBVWSPTAJHPZ-CHWSQXEVSA-N 1 0 223.291 2.265 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)Cc1ccccn1 ZINC000037466879 181626469 /nfs/dbraw/zinc/62/64/69/181626469.db2.gz AFNQWUAAULSMDU-CYBMUJFWSA-N 1 0 212.296 2.194 10 0 BEAERO [NH3+][C@H](Cc1cccnc1)Cc1cccc(F)c1F ZINC000060707560 181627177 /nfs/dbraw/zinc/62/71/77/181627177.db2.gz HLIJEVBFHOKMDH-GFCCVEGCSA-N 1 0 248.276 2.472 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1ccc(Br)cc1F ZINC000037381835 181600176 /nfs/dbraw/zinc/60/01/76/181600176.db2.gz JECUOTQOACDIOO-IONNQARKSA-N 1 0 230.080 2.403 10 0 BEAERO [NH3+][C@@]12CC=CC[C@H]1COc1ccccc12 ZINC000026168274 181604275 /nfs/dbraw/zinc/60/42/75/181604275.db2.gz KQYZGYNBLDWQRW-GWCFXTLKSA-N 1 0 201.269 2.199 10 0 BEAERO [NH3+][C@H]1CCc2c1cccc2O[C@H]1CCCC[C@@H]1O ZINC000062798557 181655410 /nfs/dbraw/zinc/65/54/10/181655410.db2.gz KAQJUGICNJDFRI-YDHLFZDLSA-N 1 0 247.338 2.315 10 0 BEAERO [NH3+][C@H]1CCC[C@H](c2nncn2C2CCCC2)C1 ZINC000070570265 181648564 /nfs/dbraw/zinc/64/85/64/181648564.db2.gz SOYXDJMJDRFWBF-QWRGUYRKSA-N 1 0 234.347 2.378 10 0 BEAERO [NH3+][C@H]1CCCc2cc(C(F)(F)F)ccc2[C@@H]1O ZINC000008699495 181649223 /nfs/dbraw/zinc/64/92/23/181649223.db2.gz JVLZZZZRSOZYKK-QWRGUYRKSA-N 1 0 245.244 2.402 10 0 BEAERO CCCCN(CC)c1ncccc1C[NH3+] ZINC000019277928 168804461 /nfs/dbraw/zinc/80/44/61/168804461.db2.gz MOZSDTDQVANAQH-UHFFFAOYSA-N 1 0 207.321 2.167 10 0 BEAERO [NH3+][C@H]1CCOC[C@H]1Cc1ccc(Cl)s1 ZINC000076678801 181653551 /nfs/dbraw/zinc/65/35/51/181653551.db2.gz UMJWNFWGZYBKKG-APPZFPTMSA-N 1 0 231.748 2.308 10 0 BEAERO Nc1cc(C[NH2+]C[C@@H]2CCOC2)ccc1Cl ZINC000061147413 181682424 /nfs/dbraw/zinc/68/24/24/181682424.db2.gz JKFIBRIQUJZQHG-JTQLQIEISA-N 1 0 240.734 2.048 10 0 BEAERO Nc1cc(F)ccc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471847 181687896 /nfs/dbraw/zinc/68/78/96/181687896.db2.gz XCSPHDSOVVTBOC-SECBINFHSA-N 1 0 240.347 2.500 10 0 BEAERO C[C@@H](CC1CCCC1)[NH2+]CC1CC(O)C1 ZINC000624213634 371399316 /nfs/dbraw/zinc/39/93/16/371399316.db2.gz UEFUIWXJFNYMID-PKSQDBQZSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000624234956 371421898 /nfs/dbraw/zinc/42/18/98/371421898.db2.gz ADGFNRHGFIKZJZ-CFVMTHIKSA-N 1 0 249.354 2.104 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cc1C ZINC000624235675 371423111 /nfs/dbraw/zinc/42/31/11/371423111.db2.gz NVBWQKQKXGCNNR-AEGPPILISA-N 1 0 249.354 2.104 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000624236065 371424165 /nfs/dbraw/zinc/42/41/65/371424165.db2.gz VYSCMFLZSCGSLD-GLQYFDAESA-N 1 0 249.354 2.049 10 0 BEAERO Nc1cccc(Cl)c1S[C@H]1CC[NH2+]C1 ZINC000051784211 181744456 /nfs/dbraw/zinc/74/44/56/181744456.db2.gz BAEQGKDUIBADDW-ZETCQYMHSA-N 1 0 228.748 2.376 10 0 BEAERO Cc1nc([C@@H]2N[C@H](C)CS2)cs1 ZINC000126784442 371550556 /nfs/dbraw/zinc/55/05/56/371550556.db2.gz GPEOUHPGPHCAIZ-SVGQVSJJSA-N 1 0 200.332 2.175 10 0 BEAERO CC(C)(C)OC(=O)NC1CCC(CC[NH3+])CC1 ZINC000002518239 371567408 /nfs/dbraw/zinc/56/74/08/371567408.db2.gz SSZKBGFWNFAXNC-UHFFFAOYSA-N 1 0 242.363 2.419 10 0 BEAERO C[C@@H]([NH2+]CCC(N)=O)c1ccc2ccccc2c1 ZINC000028919623 371676510 /nfs/dbraw/zinc/67/65/10/371676510.db2.gz LSVWIKKCRUCXKK-LLVKDONJSA-N 1 0 242.322 2.366 10 0 BEAERO CC[C@@H]1C[NH+]=C(NC[C@@H]2CCCS2)S1 ZINC000230009672 371632447 /nfs/dbraw/zinc/63/24/47/371632447.db2.gz QHHAPCWDQSYKOY-BDAKNGLRSA-N 1 0 230.402 2.353 10 0 BEAERO C[C@H]1CC(C(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000226330980 371648825 /nfs/dbraw/zinc/64/88/25/371648825.db2.gz ZQYKQLLDCDTHKI-GMTAPVOTSA-N 1 0 209.333 2.237 10 0 BEAERO C[C@H]1C[NH2+]C[C@H]1C(=O)C1CCC(C)CC1 ZINC000226378636 371655854 /nfs/dbraw/zinc/65/58/54/371655854.db2.gz AOVRSHLGHLZNME-POSLAHMBSA-N 1 0 209.333 2.237 10 0 BEAERO CC(C)[NH2+]C[C@@H](C)NCc1ccccc1 ZINC000162332879 371660502 /nfs/dbraw/zinc/66/05/02/371660502.db2.gz UXFAQUPFHJWZMV-GFCCVEGCSA-N 1 0 206.333 2.163 10 0 BEAERO C[C@@H]1C[N@H+]([C@H]2CCCCC2=O)C[C@H](C)S1 ZINC000226672469 371721469 /nfs/dbraw/zinc/72/14/69/371721469.db2.gz ADQRJWPNYLXASP-AXFHLTTASA-N 1 0 227.373 2.324 10 0 BEAERO C[C@H](CC(N)=S)[N@@H+]1CCCCC[C@@H]1C ZINC000226733527 371732361 /nfs/dbraw/zinc/73/23/61/371732361.db2.gz JVXSQGNGZBHOHZ-VHSXEESVSA-N 1 0 214.378 2.316 10 0 BEAERO CC[C@H](C(N)=S)[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000131988014 371732507 /nfs/dbraw/zinc/73/25/07/371732507.db2.gz KIMYANVRAWRQBF-IVZWLZJFSA-N 1 0 214.378 2.029 10 0 BEAERO Cc1cccc(C(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000226563611 371698228 /nfs/dbraw/zinc/69/82/28/371698228.db2.gz IXDXTYQJVHSIIV-RYUDHWBXSA-N 1 0 201.269 2.081 10 0 BEAERO Cc1cccc(C(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000226563606 371698242 /nfs/dbraw/zinc/69/82/42/371698242.db2.gz IXDXTYQJVHSIIV-NEPJUHHUSA-N 1 0 201.269 2.081 10 0 BEAERO C/C(=C/C[NH3+])c1ccc(Br)o1 ZINC000131854335 371698654 /nfs/dbraw/zinc/69/86/54/371698654.db2.gz IDYIPUKIPFFKFG-XQRVVYSFSA-N 1 0 216.078 2.404 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000216129006 371702364 /nfs/dbraw/zinc/70/23/64/371702364.db2.gz AFHZOGSYMSTZRH-ATPLWMGHSA-N 1 0 201.697 2.040 10 0 BEAERO Cc1ccc(F)cc1C(=O)C1([NH3+])CCC1 ZINC000226778103 371743441 /nfs/dbraw/zinc/74/34/41/371743441.db2.gz PDOQITDAFHQONM-UHFFFAOYSA-N 1 0 207.248 2.198 10 0 BEAERO Cc1nsc(S[C@@H]2CCCC[NH2+]C2)n1 ZINC000132187965 371763585 /nfs/dbraw/zinc/76/35/85/371763585.db2.gz NIYQIYKRWTWPAU-MRVPVSSYSA-N 1 0 229.374 2.081 10 0 BEAERO [NH3+]C1(C(=O)c2ccccc2Cl)CCC1 ZINC000226777941 371742847 /nfs/dbraw/zinc/74/28/47/371742847.db2.gz QVQUAYHERFMLOX-UHFFFAOYSA-N 1 0 209.676 2.404 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000627727949 371918544 /nfs/dbraw/zinc/91/85/44/371918544.db2.gz WSFOLERYKYPYNH-RYUDHWBXSA-N 1 0 248.370 2.424 10 0 BEAERO NNc1cc(SC2CCCC2)cc[nH+]1 ZINC000227685424 371921727 /nfs/dbraw/zinc/92/17/27/371921727.db2.gz XAHWBFWZJYIUTC-UHFFFAOYSA-N 1 0 209.318 2.402 10 0 BEAERO CO[C@@H](C[NH3+])c1sccc1Br ZINC000228023671 371978769 /nfs/dbraw/zinc/97/87/69/371978769.db2.gz WYPITCUGGGFPRC-LURJTMIESA-N 1 0 236.134 2.157 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000306147900 371991301 /nfs/dbraw/zinc/99/13/01/371991301.db2.gz AFNDOSIJVONGNY-QEYWKRMJSA-N 1 0 203.326 2.361 10 0 BEAERO C[NH2+][C@H](C(C)C)[C@H]1SCCS[C@@H]1C ZINC000228115445 371993061 /nfs/dbraw/zinc/99/30/61/371993061.db2.gz WHMVTXAVFYMEBD-BBBLOLIVSA-N 1 0 219.419 2.468 10 0 BEAERO Cc1sccc1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000227880999 371953307 /nfs/dbraw/zinc/95/33/07/371953307.db2.gz HDLTZMJJDHXQIJ-UWVGGRQHSA-N 1 0 209.314 2.367 10 0 BEAERO Cc1sccc1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000227881763 371955083 /nfs/dbraw/zinc/95/50/83/371955083.db2.gz OPHGKXDCZWPOOV-APPZFPTMSA-N 1 0 209.314 2.237 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])C(C)(C)C1 ZINC000217442248 371956749 /nfs/dbraw/zinc/95/67/49/371956749.db2.gz KILFTHXFTRTDPJ-JTQLQIEISA-N 1 0 242.363 2.228 10 0 BEAERO CC(C)(C[NH3+])c1ccncc1Br ZINC000306583137 372040247 /nfs/dbraw/zinc/04/02/47/372040247.db2.gz CSPOHJMNPDYZFC-UHFFFAOYSA-N 1 0 229.121 2.080 10 0 BEAERO [NH3+][C@H](COCc1ccccc1)C1=COCCC1 ZINC000306640831 372049020 /nfs/dbraw/zinc/04/90/20/372049020.db2.gz PWNKDYFSQFXGDX-CQSZACIVSA-N 1 0 233.311 2.225 10 0 BEAERO Fc1ccc(CC2=[NH+]CCN2)c(Cl)c1 ZINC000306712855 372058764 /nfs/dbraw/zinc/05/87/64/372058764.db2.gz UWEFFOOBIBPMIW-UHFFFAOYSA-N 1 0 212.655 2.023 10 0 BEAERO CCNc1cc(Br)c(C[NH3+])cc1F ZINC000307266375 372105996 /nfs/dbraw/zinc/10/59/96/372105996.db2.gz DCTCLWRRNFVFMG-UHFFFAOYSA-N 1 0 247.111 2.479 10 0 BEAERO C[NH2+][C@@H](CCCOCc1ccccc1)COC ZINC000307288937 372107968 /nfs/dbraw/zinc/10/79/68/372107968.db2.gz DVETYGBUKIMVEO-AWEZNQCLSA-N 1 0 237.343 2.218 10 0 BEAERO COC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1 ZINC000307321245 372111899 /nfs/dbraw/zinc/11/18/99/372111899.db2.gz WNCPWXXOAZXZCB-CHWSQXEVSA-N 1 0 205.301 2.201 10 0 BEAERO C[C@H]1CCSC(NCc2nccs2)=[NH+]1 ZINC000133557610 372073446 /nfs/dbraw/zinc/07/34/46/372073446.db2.gz BYJBAAOBRSZPDE-ZETCQYMHSA-N 1 0 227.358 2.114 10 0 BEAERO Cc1cc([C@H](O)[C@@H]([NH3+])C(C)C)ccc1F ZINC000032012534 372134031 /nfs/dbraw/zinc/13/40/31/372134031.db2.gz XLMPKKVOKXJZDT-RYUDHWBXSA-N 1 0 211.280 2.151 10 0 BEAERO NC(=[NH2+])c1cc(Cl)cc(OC(F)F)c1 ZINC000307646473 372136592 /nfs/dbraw/zinc/13/65/92/372136592.db2.gz BYGUEUQAGNMKHY-UHFFFAOYSA-N 1 0 220.606 2.225 10 0 BEAERO COc1ccsc1[C@H]1CC[NH2+]C[C@@H]1C ZINC000229543063 372163389 /nfs/dbraw/zinc/16/33/89/372163389.db2.gz NVFBCEQSEFVIOI-IUCAKERBSA-N 1 0 211.330 2.470 10 0 BEAERO C[N@@H+]1CCC[C@](O)(c2ccc(Cl)s2)C1 ZINC000134349171 372198442 /nfs/dbraw/zinc/19/84/42/372198442.db2.gz AQSWRDVDUWQJKC-SNVBAGLBSA-N 1 0 231.748 2.315 10 0 BEAERO O=C(C[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000038221155 182029970 /nfs/dbraw/zinc/02/99/70/182029970.db2.gz ICNPOTSVAWPXRY-SECBINFHSA-N 1 0 207.248 2.008 10 0 BEAERO O=C(Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000041279490 182035936 /nfs/dbraw/zinc/03/59/36/182035936.db2.gz LIPSTGLFZWGVCA-NSHDSACASA-N 1 0 237.730 2.451 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1c1nccc2ccccc21 ZINC000379755838 373055528 /nfs/dbraw/zinc/05/55/28/373055528.db2.gz VGRFFBCHUZOWDQ-MFKMUULPSA-N 1 0 227.311 2.161 10 0 BEAERO CCc1nccn1-c1cccc(C=O)c1 ZINC000068983549 373102427 /nfs/dbraw/zinc/10/24/27/373102427.db2.gz WHSXCMAQXJFVBU-UHFFFAOYSA-N 1 0 200.241 2.247 10 0 BEAERO CC(C)C[C@@H]([NH3+])CNCc1cccs1 ZINC000040397568 373219902 /nfs/dbraw/zinc/21/99/02/373219902.db2.gz DXHKHZDEPZBIJT-SNVBAGLBSA-N 1 0 212.362 2.211 10 0 BEAERO N[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000040409711 373241039 /nfs/dbraw/zinc/24/10/39/373241039.db2.gz LAFZPOPTZGZPHA-HNNXBMFYSA-N 1 0 226.323 2.476 10 0 BEAERO [NH3+][C@@H]1COc2c1c(Br)ccc2Cl ZINC000069717436 373646020 /nfs/dbraw/zinc/64/60/20/373646020.db2.gz UXQSPJXFLQMWPG-ZCFIWIBFSA-N 1 0 248.507 2.495 10 0 BEAERO O=C(NCCC1=CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000035661292 182152431 /nfs/dbraw/zinc/15/24/31/182152431.db2.gz OOJHPSSXTDSCIL-CYBMUJFWSA-N 1 0 236.359 2.135 10 0 BEAERO CN1CC[C@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000069799092 373807462 /nfs/dbraw/zinc/80/74/62/373807462.db2.gz YFGGJDUZDZGQSN-QWRGUYRKSA-N 1 0 210.708 2.044 10 0 BEAERO CCN1CCC[C@@H]([NH3+])[C@@H]1c1ccsc1 ZINC000069799379 373807896 /nfs/dbraw/zinc/80/78/96/373807896.db2.gz OHWMLHVCDQOEQZ-MNOVXSKESA-N 1 0 210.346 2.232 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCCN1C/C(Cl)=C\Cl ZINC000381805448 374145383 /nfs/dbraw/zinc/14/53/83/374145383.db2.gz UUWDCQSTRLVQHV-ZKAIPZBJSA-N 1 0 223.147 2.117 10 0 BEAERO Cc1cc(C)c(NCC[NH3+])c(Br)c1 ZINC000143468623 374188543 /nfs/dbraw/zinc/18/85/43/374188543.db2.gz AYKFIKNIWKFOJR-UHFFFAOYSA-N 1 0 243.148 2.437 10 0 BEAERO COc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)cc1Cl ZINC000071558211 374276063 /nfs/dbraw/zinc/27/60/63/374276063.db2.gz JQZUCUYIOLSSHO-VXGBXAGGSA-N 1 0 243.734 2.365 10 0 BEAERO CC(C)(C)[C@H]([NH3+])c1ncc(Br)cn1 ZINC000070948328 374234450 /nfs/dbraw/zinc/23/44/50/374234450.db2.gz RNSXRDFMCOXHSY-SSDOTTSWSA-N 1 0 244.136 2.285 10 0 BEAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)C ZINC000042975097 374313459 /nfs/dbraw/zinc/31/34/59/374313459.db2.gz UXYJAUSHLNYSMD-GZMMTYOYSA-N 1 0 212.724 2.290 10 0 BEAERO CCCC[NH2+][C@H](C)C(=O)N[C@@H](C)CCC ZINC000034938704 168875249 /nfs/dbraw/zinc/87/52/49/168875249.db2.gz FVMVWWIGSCORQP-WDEREUQCSA-N 1 0 214.353 2.069 10 0 BEAERO O=C(c1ccoc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189617 182691632 /nfs/dbraw/zinc/69/16/32/182691632.db2.gz CIZLQFAFIKPYMO-QWHCGFSZSA-N 1 0 248.326 2.026 10 0 BEAERO O=C1CC[NH2+]C[C@@H]1Cc1ccc(Cl)cc1 ZINC000071531464 182743637 /nfs/dbraw/zinc/74/36/37/182743637.db2.gz BZALECIFKDAEGD-JTQLQIEISA-N 1 0 223.703 2.061 10 0 BEAERO CCOC(=O)[C@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000037459916 170286199 /nfs/dbraw/zinc/28/61/99/170286199.db2.gz MXBISIMZUWCNIY-CABZTGNLSA-N 1 0 213.321 2.093 10 0 BEAERO CCCCOc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 ZINC000033465806 168917993 /nfs/dbraw/zinc/91/79/93/168917993.db2.gz MOHBJJLVJBOUJI-SNVBAGLBSA-N 1 0 236.315 2.151 10 0 BEAERO CCOCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128458630 170375351 /nfs/dbraw/zinc/37/53/51/170375351.db2.gz MSFZASUBFRKNLH-ZIAGYGMSSA-N 1 0 241.375 2.040 10 0 BEAERO C[C@@H](C[NH+]1CCCC1)OC(=O)Cc1ccccc1 ZINC000059095219 1172506123 /nfs/dbraw/zinc/50/61/23/1172506123.db2.gz ZZVHCKKEHZOSJS-ZDUSSCGKSA-N 1 0 247.338 2.257 10 0 BEAERO OC1(CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000336549861 183016051 /nfs/dbraw/zinc/01/60/51/183016051.db2.gz UFWIKXXIUVQUAZ-NWDGAFQWSA-N 1 0 209.333 2.166 10 0 BEAERO OC1(CC[NH2+][C@H]2CCC[C@H]2CCF)CCC1 ZINC000336711357 183016748 /nfs/dbraw/zinc/01/67/48/183016748.db2.gz SGHWCHKNXJOUPW-RYUDHWBXSA-N 1 0 229.339 2.409 10 0 BEAERO OC1(C[NH2+]CC[C@H]2CCCO2)CCCCCC1 ZINC000038096736 183019449 /nfs/dbraw/zinc/01/94/49/183019449.db2.gz QOQSUWDJAYRSEB-CYBMUJFWSA-N 1 0 241.375 2.230 10 0 BEAERO OC1(C[NH2+]CCc2ccncc2)CCCCCC1 ZINC000037894874 183019891 /nfs/dbraw/zinc/01/98/91/183019891.db2.gz LNMHKHMPLRVQGW-UHFFFAOYSA-N 1 0 248.370 2.299 10 0 BEAERO OC1(c2cc(F)ccc2F)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000104116341 183023451 /nfs/dbraw/zinc/02/34/51/183023451.db2.gz GDTLMKHHMHJABK-HWYHXSKPSA-N 1 0 239.265 2.067 10 0 BEAERO OC1CC(CC[NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000336696485 183026197 /nfs/dbraw/zinc/02/61/97/183026197.db2.gz ZQZOORQBBIEMIC-POOIEITISA-N 1 0 229.339 2.265 10 0 BEAERO OCC1([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000120347939 183037820 /nfs/dbraw/zinc/03/78/20/183037820.db2.gz GBUDQMWWKOTGFB-UHFFFAOYSA-N 1 0 217.721 2.016 10 0 BEAERO OCCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000036844310 183057341 /nfs/dbraw/zinc/05/73/41/183057341.db2.gz SESKLXRUPJSJQV-UHFFFAOYSA-N 1 0 223.291 2.044 10 0 BEAERO OCCCOc1cccc(C[NH+]2CCCCC2)c1 ZINC000027524591 183061148 /nfs/dbraw/zinc/06/11/48/183061148.db2.gz JACPUZOKPSTMTK-UHFFFAOYSA-N 1 0 249.354 2.434 10 0 BEAERO OCC[N@H+](C[C@@H]1Cc2ccccc21)C1CCC1 ZINC000228523083 183067907 /nfs/dbraw/zinc/06/79/07/183067907.db2.gz NYEPHYJEEKANDG-ZDUSSCGKSA-N 1 0 231.339 2.173 10 0 BEAERO OCC[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000050103907 183069581 /nfs/dbraw/zinc/06/95/81/183069581.db2.gz TUBPXNFLUDUISQ-UHFFFAOYSA-N 1 0 242.322 2.192 10 0 BEAERO OC[C@@H]1CCCC[N@H+](CCc2ccccc2)C1 ZINC000374035068 183115127 /nfs/dbraw/zinc/11/51/27/183115127.db2.gz BRTZDEBQUBGVHG-OAHLLOKOSA-N 1 0 233.355 2.324 10 0 BEAERO OC[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000227475846 183116048 /nfs/dbraw/zinc/11/60/48/183116048.db2.gz RNYLZDOJNOEKLM-KBPBESRZSA-N 1 0 231.339 2.173 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000309470649 183116443 /nfs/dbraw/zinc/11/64/43/183116443.db2.gz AMZDVFNBTYJSKZ-RWMBFGLXSA-N 1 0 223.360 2.460 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000219005971 183117634 /nfs/dbraw/zinc/11/76/34/183117634.db2.gz BWOUVFMMOUGGJL-GXTWGEPZSA-N 1 0 237.318 2.466 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000075620939 183118214 /nfs/dbraw/zinc/11/82/14/183118214.db2.gz QKPGXCUJBYOAJY-WCQYABFASA-N 1 0 211.349 2.460 10 0 BEAERO COCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000220932256 134314833 /nfs/dbraw/zinc/31/48/33/134314833.db2.gz YJZBCRREMBCXNZ-PSASIEDQSA-N 1 0 212.293 2.059 10 0 BEAERO OC[C@@H]([NH2+]C1CCCC1)[C@@H]1CC=CCC1 ZINC000038123035 183107020 /nfs/dbraw/zinc/10/70/20/183107020.db2.gz NHUBKKZXXMOEPY-DGCLKSJQSA-N 1 0 209.333 2.236 10 0 BEAERO CCCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000013805931 169020586 /nfs/dbraw/zinc/02/05/86/169020586.db2.gz YRIIJFWMCUHOCW-UHFFFAOYSA-N 1 0 202.301 2.379 10 0 BEAERO OC[C@H]([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000038125057 183139875 /nfs/dbraw/zinc/13/98/75/183139875.db2.gz PVVJSROJAFIMOK-LBPRGKRZSA-N 1 0 225.719 2.373 10 0 BEAERO OC[C@H]1CCCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000090981424 183149172 /nfs/dbraw/zinc/14/91/72/183149172.db2.gz RNYLZDOJNOEKLM-ZIAGYGMSSA-N 1 0 231.339 2.173 10 0 BEAERO CCCCn1ccnc1C[NH2+]CC(C)C ZINC000022862094 169036427 /nfs/dbraw/zinc/03/64/27/169036427.db2.gz XHFAHLWDJWJDBF-UHFFFAOYSA-N 1 0 209.337 2.429 10 0 BEAERO OC[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000104314757 183152379 /nfs/dbraw/zinc/15/23/79/183152379.db2.gz PWUMCJVZLCAEPF-ZFWWWQNUSA-N 1 0 245.366 2.421 10 0 BEAERO CCCN(C(=O)C[NH3+])c1c(C)cccc1C ZINC000027656754 169042636 /nfs/dbraw/zinc/04/26/36/169042636.db2.gz HVGGIFBJAKUJRK-UHFFFAOYSA-N 1 0 220.316 2.005 10 0 BEAERO CCCN(C(=O)Oc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000037540240 169043380 /nfs/dbraw/zinc/04/33/80/169043380.db2.gz WYGZOVHNTIQJGR-LBPRGKRZSA-N 1 0 248.326 2.259 10 0 BEAERO OCc1ccc(C[NH+]2CCCCC2)s1 ZINC000045206490 183163943 /nfs/dbraw/zinc/16/39/43/183163943.db2.gz FUUVWTFVVYUXQG-UHFFFAOYSA-N 1 0 211.330 2.226 10 0 BEAERO CCCN(C(=O)[C@H]1CC[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000055126344 169045805 /nfs/dbraw/zinc/04/58/05/169045805.db2.gz ZSCFFMYEVAWLPU-AVGNSLFASA-N 1 0 240.391 2.397 10 0 BEAERO CCCN(C(=O)[C@H]1CCC[C@@H](C)[NH2+]1)C(C)C ZINC000037096444 169046220 /nfs/dbraw/zinc/04/62/20/169046220.db2.gz BQOWKQABNGKELA-VXGBXAGGSA-N 1 0 226.364 2.164 10 0 BEAERO O[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)C1CC1 ZINC000071301118 183177714 /nfs/dbraw/zinc/17/77/14/183177714.db2.gz MHZIWTMTFCKNDP-RQDKRIMHSA-N 1 0 235.371 2.172 10 0 BEAERO O[C@@H](c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000032012631 183184400 /nfs/dbraw/zinc/18/44/00/183184400.db2.gz LVFIHQWHTRBXQD-MNOVXSKESA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H](Cc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000041282836 183183907 /nfs/dbraw/zinc/18/39/07/183183907.db2.gz WFYGTZWDSJMWPH-AAEUAGOBSA-N 1 0 239.746 2.243 10 0 BEAERO OCc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049333338 183166263 /nfs/dbraw/zinc/16/62/63/183166263.db2.gz ZRLNLCWYMITIGD-UHFFFAOYSA-N 1 0 235.327 2.044 10 0 BEAERO O[C@@H](c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000032015116 183184791 /nfs/dbraw/zinc/18/47/91/183184791.db2.gz UAJJHEOQQHUXAG-PWSUYJOCSA-N 1 0 225.719 2.373 10 0 BEAERO O[C@@H](CCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000041233399 183172429 /nfs/dbraw/zinc/17/24/29/183172429.db2.gz PVXGMXLBTOMAPB-KBPBESRZSA-N 1 0 219.328 2.122 10 0 BEAERO O[C@@H](CC[NH+]1CCCC1)c1cccs1 ZINC000041149362 183174209 /nfs/dbraw/zinc/17/42/09/183174209.db2.gz IWPXIPAQJIXCDX-JTQLQIEISA-N 1 0 211.330 2.267 10 0 BEAERO CCCN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106912339 169058912 /nfs/dbraw/zinc/05/89/12/169058912.db2.gz XIBAYNVWEZNLEJ-AWEZNQCLSA-N 1 0 248.370 2.028 10 0 BEAERO O[C@@H](C[N@@H+]1CCC[C@@H]1C1CCC1)C(F)(F)F ZINC000121196939 183175769 /nfs/dbraw/zinc/17/57/69/183175769.db2.gz KEDBTNZXRPQGLK-ZJUUUORDSA-N 1 0 237.265 2.174 10 0 BEAERO CCCN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C ZINC000037096244 169045595 /nfs/dbraw/zinc/04/55/95/169045595.db2.gz IQJBROUSEARSIG-AWEZNQCLSA-N 1 0 248.370 2.203 10 0 BEAERO O[C@@H]1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000041225874 183202647 /nfs/dbraw/zinc/20/26/47/183202647.db2.gz JPIKAVDNAZTEIW-KCJUWKMLSA-N 1 0 211.692 2.125 10 0 BEAERO CCC[N@H+](C)C[C@@H]1CNc2ccccc2O1 ZINC000037098560 169077398 /nfs/dbraw/zinc/07/73/98/169077398.db2.gz WAQUWQNXMJRJFX-NSHDSACASA-N 1 0 220.316 2.201 10 0 BEAERO O[C@@H](c1cccc2cccnc21)[C@@H]1CCCC[NH2+]1 ZINC000001729565 183185596 /nfs/dbraw/zinc/18/55/96/183185596.db2.gz VZTOROZDQAOUBJ-ZFWWWQNUSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@@H](c1ccnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000001599841 183186918 /nfs/dbraw/zinc/18/69/18/183186918.db2.gz BPVZGZYCAMIBMO-GJZGRUSLSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000335621056 183195492 /nfs/dbraw/zinc/19/54/92/183195492.db2.gz OVVVLWVRFZJVPB-ZYHUDNBSSA-N 1 0 209.333 2.070 10 0 BEAERO O[C@@]1(c2ccc(F)c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000061987940 183218321 /nfs/dbraw/zinc/21/83/21/183218321.db2.gz VBDQFJWSWYRYJK-ZDUSSCGKSA-N 1 0 239.265 2.021 10 0 BEAERO O[C@H](CC1CCCC1)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000352857760 183218908 /nfs/dbraw/zinc/21/89/08/183218908.db2.gz JNKOXOIXMMPFTM-MJBXVCDLSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@H](CC[NH+]1CCCCC1)COc1ccccc1 ZINC000029487079 183219524 /nfs/dbraw/zinc/21/95/24/183219524.db2.gz GUYIJDDAVHMGFY-CQSZACIVSA-N 1 0 249.354 2.302 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000037741276 183232000 /nfs/dbraw/zinc/23/20/00/183232000.db2.gz OAUPAONWMJGLFO-STQMWFEESA-N 1 0 211.349 2.460 10 0 BEAERO O[C@H](C[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000070459492 183219928 /nfs/dbraw/zinc/21/99/28/183219928.db2.gz CZOACBHUBBNWDU-GFCCVEGCSA-N 1 0 227.254 2.094 10 0 BEAERO O[C@H](C[NH+]1CCCCC1)c1cccs1 ZINC000006513135 183220252 /nfs/dbraw/zinc/22/02/52/183220252.db2.gz BUPGKHPQQGMZQY-SNVBAGLBSA-N 1 0 211.330 2.267 10 0 BEAERO O[C@H](C[NH2+]CCc1ccccc1)c1ccco1 ZINC000032016055 183224075 /nfs/dbraw/zinc/22/40/75/183224075.db2.gz VSCPVGXUWNZCPQ-CYBMUJFWSA-N 1 0 231.295 2.145 10 0 BEAERO O[C@H](C[NH2+]CCc1cccnc1)c1cccs1 ZINC000037894757 183224194 /nfs/dbraw/zinc/22/41/94/183224194.db2.gz GGHTUNQSTWLPHZ-GFCCVEGCSA-N 1 0 248.351 2.009 10 0 BEAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000037873799 183231384 /nfs/dbraw/zinc/23/13/84/183231384.db2.gz MXPHUMQTJAIUBL-KGLIPLIRSA-N 1 0 219.328 2.470 10 0 BEAERO CCCN(C)[C@H](C[NH3+])c1ccc(OCC)cc1 ZINC000020226249 169086872 /nfs/dbraw/zinc/08/68/72/169086872.db2.gz AHKVLIKWRYLQOI-CQSZACIVSA-N 1 0 236.359 2.427 10 0 BEAERO O[C@H](c1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000036159637 183228699 /nfs/dbraw/zinc/22/86/99/183228699.db2.gz VVFCJUFGVWIZQL-MUWHJKNJSA-N 1 0 217.721 2.187 10 0 BEAERO O[C@H](c1ccc2ncccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000001729516 183229198 /nfs/dbraw/zinc/22/91/98/183229198.db2.gz DPBVGSJQEMNMHL-LSDHHAIUSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@H](c1cccc2cc[nH]c21)C1CC[NH2+]CC1 ZINC000089209218 183229417 /nfs/dbraw/zinc/22/94/17/183229417.db2.gz VRBCYGRZFFWAOX-AWEZNQCLSA-N 1 0 230.311 2.201 10 0 BEAERO CCCN(C)[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043026297 169088163 /nfs/dbraw/zinc/08/81/63/169088163.db2.gz XGDWLSOZCWLURB-RISCZKNCSA-N 1 0 236.359 2.425 10 0 BEAERO CCCN(C)c1nc(C)c([C@H](C)[NH3+])s1 ZINC000054894971 169089490 /nfs/dbraw/zinc/08/94/90/169089490.db2.gz GZDIDHBNMKEBPU-ZETCQYMHSA-N 1 0 213.350 2.317 10 0 BEAERO CCC[N@H+](C1CC1)[C@@H]1COc2ccccc2[C@@H]1N ZINC000037097172 169091284 /nfs/dbraw/zinc/09/12/84/169091284.db2.gz MPEKAABXLNKUBC-HIFRSBDPSA-N 1 0 246.354 2.322 10 0 BEAERO O[C@@]1(Cc2c(F)cccc2Cl)CCC[NH2+]C1 ZINC000071558159 183216015 /nfs/dbraw/zinc/21/60/15/183216015.db2.gz CLALBADXEHTXEP-GFCCVEGCSA-N 1 0 243.709 2.136 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000084228069 183238396 /nfs/dbraw/zinc/23/83/96/183238396.db2.gz TUVUEMZVOJIBGG-AAEUAGOBSA-N 1 0 223.291 2.076 10 0 BEAERO CCCN(CC)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055126279 169112298 /nfs/dbraw/zinc/11/22/98/169112298.db2.gz RHMRCYTURTYMRF-RYUDHWBXSA-N 1 0 226.364 2.153 10 0 BEAERO O[C@]1(Cc2c(F)cccc2Cl)CCC[NH2+]C1 ZINC000071558161 183251280 /nfs/dbraw/zinc/25/12/80/183251280.db2.gz CLALBADXEHTXEP-LBPRGKRZSA-N 1 0 243.709 2.136 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccncc1)CC2 ZINC000019405213 183253533 /nfs/dbraw/zinc/25/35/33/183253533.db2.gz DFQPELNVIXKUCR-CABCVRRESA-N 1 0 246.354 2.209 10 0 BEAERO O[C@H]1CCCC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000052006959 183233481 /nfs/dbraw/zinc/23/34/81/183233481.db2.gz JRJWRJABFIKMNP-NEPJUHHUSA-N 1 0 231.299 2.278 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000037490816 183234312 /nfs/dbraw/zinc/23/43/12/183234312.db2.gz VTYFZPMDRMMWRP-OLZOCXBDSA-N 1 0 223.291 2.219 10 0 BEAERO CCC[N@H+](CC(C)C)[C@@](C)(CC)CN ZINC000050092166 169106179 /nfs/dbraw/zinc/10/61/79/169106179.db2.gz XEBKQWWNSDZBRX-LBPRGKRZSA-N 1 0 200.370 2.482 10 0 BEAERO CCCN(CC(F)(F)F)C1CC[NH2+]CC1 ZINC000037469597 169106817 /nfs/dbraw/zinc/10/68/17/169106817.db2.gz WCCQBLNLDFNCJG-UHFFFAOYSA-N 1 0 224.270 2.013 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000037164940 183236835 /nfs/dbraw/zinc/23/68/35/183236835.db2.gz OWCYDCTVYNJWPV-STQMWFEESA-N 1 0 211.349 2.460 10 0 BEAERO CCCN(CCC)[C@@H](C[NH3+])c1ccco1 ZINC000019795927 169151197 /nfs/dbraw/zinc/15/11/97/169151197.db2.gz GXWBYYWMBFLSPJ-NSHDSACASA-N 1 0 210.321 2.401 10 0 BEAERO Oc1ccc2c(c1)[C@H](CC1CCOCC1)[NH2+]CC2 ZINC000083663691 183281546 /nfs/dbraw/zinc/28/15/46/183281546.db2.gz HIXHKYAERRDIIG-HNNXBMFYSA-N 1 0 247.338 2.396 10 0 BEAERO CCC[N@H+](CC)Cc1nc2cc(N)ccc2[nH]1 ZINC000037273282 169131120 /nfs/dbraw/zinc/13/11/20/169131120.db2.gz PBOCBDYVLYZOOL-UHFFFAOYSA-N 1 0 232.331 2.377 10 0 BEAERO CCCN(CCC(N)=[NH2+])c1ccccc1 ZINC000019483284 169137637 /nfs/dbraw/zinc/13/76/37/169137637.db2.gz YXCHPVZGCFHFNZ-UHFFFAOYSA-N 1 0 205.305 2.229 10 0 BEAERO Oc1ccc([C@H]2CC[NH2+]C2)cc1Br ZINC000096877766 183278404 /nfs/dbraw/zinc/27/84/04/183278404.db2.gz UOEKEQJODWOJLN-QMMMGPOBSA-N 1 0 242.116 2.232 10 0 BEAERO CCCN(CCC)C(=O)[C@]1(CCC)CC[NH2+]C1 ZINC000062887556 169144229 /nfs/dbraw/zinc/14/42/29/169144229.db2.gz PYHPEPLJMCSLHB-CQSZACIVSA-N 1 0 240.391 2.415 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055086514 169144860 /nfs/dbraw/zinc/14/48/60/169144860.db2.gz FYPBYFAPSJZHKM-NWDGAFQWSA-N 1 0 226.364 2.153 10 0 BEAERO CCC[NH+](CCC)CC(=O)Nc1cccc(N)c1 ZINC000019775332 169148080 /nfs/dbraw/zinc/14/80/80/169148080.db2.gz WCAANVKYJJPFTN-UHFFFAOYSA-N 1 0 249.358 2.329 10 0 BEAERO CCC[N@H+](CCCCO)C[C@@H]1CCCCO1 ZINC000106867032 169153448 /nfs/dbraw/zinc/15/34/48/169153448.db2.gz AIRZPLOEIJEVKK-ZDUSSCGKSA-N 1 0 229.364 2.040 10 0 BEAERO Oc1cccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000375702258 183288979 /nfs/dbraw/zinc/28/89/79/183288979.db2.gz BGQAARZTMUUNOV-GXTWGEPZSA-N 1 0 233.311 2.003 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1O ZINC000051997401 183296065 /nfs/dbraw/zinc/29/60/65/183296065.db2.gz QIELQZXJBSIDOD-YDHLFZDLSA-N 1 0 247.338 2.273 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CC1CCOCC1 ZINC000107064334 183296224 /nfs/dbraw/zinc/29/62/24/183296224.db2.gz LKRVPXWNGXSIPF-AWEZNQCLSA-N 1 0 247.338 2.396 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCOC1 ZINC000037738631 183297071 /nfs/dbraw/zinc/29/70/71/183297071.db2.gz PXCJTILZYFTYDM-ZWNOBZJWSA-N 1 0 233.311 2.006 10 0 BEAERO Oc1cccnc1OCCC[C@@H]1CCCC[NH2+]1 ZINC000095073856 183305289 /nfs/dbraw/zinc/30/52/89/183305289.db2.gz JYSLXWOFFPKOLU-NSHDSACASA-N 1 0 236.315 2.088 10 0 BEAERO CCC[N@@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000062570975 169185488 /nfs/dbraw/zinc/18/54/88/169185488.db2.gz BYLSYDYBPGWZQP-LBPRGKRZSA-N 1 0 212.381 2.495 10 0 BEAERO CCC[NH+]1CCC(Nc2cccnc2)CC1 ZINC000019884165 169189131 /nfs/dbraw/zinc/18/91/31/169189131.db2.gz PUPFIGVVHIJWFR-UHFFFAOYSA-N 1 0 219.332 2.368 10 0 BEAERO CCC[NH+]1CCC([C@H](C)Nc2cn[nH]c2)CC1 ZINC000035763537 169191518 /nfs/dbraw/zinc/19/15/18/169191518.db2.gz FFFWDELQFIULHX-NSHDSACASA-N 1 0 236.363 2.332 10 0 BEAERO CCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901170 169198450 /nfs/dbraw/zinc/19/84/50/169198450.db2.gz HFYIUIFULQGSOE-LBPRGKRZSA-N 1 0 207.321 2.238 10 0 BEAERO c1cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cs1 ZINC000051783533 183337525 /nfs/dbraw/zinc/33/75/25/183337525.db2.gz XGEFLQOKDHVCEK-GFCCVEGCSA-N 1 0 222.357 2.074 10 0 BEAERO c1cc(CC[NH2+]CC2CCOCC2)cs1 ZINC000052172396 183338451 /nfs/dbraw/zinc/33/84/51/183338451.db2.gz OCXBYZHCJBVBMS-UHFFFAOYSA-N 1 0 225.357 2.307 10 0 BEAERO CCCNC(=O)C[NH2+]CCC1CCCCC1 ZINC000037741916 169226311 /nfs/dbraw/zinc/22/63/11/169226311.db2.gz IYXFEVJJKMGKCA-UHFFFAOYSA-N 1 0 226.364 2.073 10 0 BEAERO CCCNC(=O)C[NH2+][C@H]1CCC[C@H]1CCC ZINC000336758666 169228518 /nfs/dbraw/zinc/22/85/18/169228518.db2.gz ILIIUBHDSOFCMF-NEPJUHHUSA-N 1 0 226.364 2.071 10 0 BEAERO c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)co1 ZINC000063048065 183341732 /nfs/dbraw/zinc/34/17/32/183341732.db2.gz AIWAMXFOEQHRGX-KBPBESRZSA-N 1 0 234.343 2.244 10 0 BEAERO c1cc(CN2CCC[C@]3(CCC[NH2+]C3)C2)ccn1 ZINC000031994648 183343543 /nfs/dbraw/zinc/34/35/43/183343543.db2.gz XUWBWOUKLOMAIP-HNNXBMFYSA-N 1 0 245.370 2.047 10 0 BEAERO CCCNC(=O)C[C@H](C[NH3+])C1CCCCC1 ZINC000076612280 169232371 /nfs/dbraw/zinc/23/23/71/169232371.db2.gz UJCKAXFRJULQNG-GFCCVEGCSA-N 1 0 226.364 2.058 10 0 BEAERO CCC[N@@H+]1CCc2cccc(O)c2CC1 ZINC000013728497 169208178 /nfs/dbraw/zinc/20/81/78/169208178.db2.gz HBPJBRCEAWPEIH-UHFFFAOYSA-N 1 0 205.301 2.203 10 0 BEAERO CCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000062570989 169210098 /nfs/dbraw/zinc/21/00/98/169210098.db2.gz PLTWXKQMRDVYQE-QWHCGFSZSA-N 1 0 212.381 2.351 10 0 BEAERO CCC[N@@H+]1C[C@H](C)NC[C@@H]1Cc1ccccc1 ZINC000062615699 169210157 /nfs/dbraw/zinc/21/01/57/169210157.db2.gz UJQQSFKNOXNBGO-ZFWWWQNUSA-N 1 0 232.371 2.301 10 0 BEAERO CCCNC(=[NH2+])Cc1ccc(OC)c(OC)c1 ZINC000059926359 169211081 /nfs/dbraw/zinc/21/10/81/169211081.db2.gz CCFHXQUCXBHVME-UHFFFAOYSA-N 1 0 236.315 2.223 10 0 BEAERO CCCNC(=[NH2+])Nc1ccc(N(C)C)cc1 ZINC000052069971 169212977 /nfs/dbraw/zinc/21/29/77/169212977.db2.gz ATMCPBQEEYZOPB-UHFFFAOYSA-N 1 0 220.320 2.099 10 0 BEAERO c1cc2c(ccnc2[C@H]2CCC[NH2+]C2)[nH]1 ZINC000074211614 183363330 /nfs/dbraw/zinc/36/33/30/183363330.db2.gz MWCMLSIEMSZLRK-VIFPVBQESA-N 1 0 201.273 2.030 10 0 BEAERO CCC[NH2+]C1[C@@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000040768930 169256058 /nfs/dbraw/zinc/25/60/58/169256058.db2.gz VZVZHURVOCWAIC-PBWFPOADSA-N 1 0 224.392 2.495 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000072417535 169256330 /nfs/dbraw/zinc/25/63/30/169256330.db2.gz PHUHAVVVWOYRAP-UHFFFAOYSA-N 1 0 206.289 2.015 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1ccccc1C ZINC000072417543 169256624 /nfs/dbraw/zinc/25/66/24/169256624.db2.gz DLIGDTNCEGUKAZ-UHFFFAOYSA-N 1 0 220.316 2.323 10 0 BEAERO CCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000072417541 169256750 /nfs/dbraw/zinc/25/67/50/169256750.db2.gz CYOCDFMNFCGLCJ-UHFFFAOYSA-N 1 0 224.279 2.154 10 0 BEAERO CCC[NH2+]CCNc1nc(CC)cs1 ZINC000061894887 169260199 /nfs/dbraw/zinc/26/01/99/169260199.db2.gz BXYHPVKVMFIMFZ-UHFFFAOYSA-N 1 0 213.350 2.117 10 0 BEAERO c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc2c1OCC2 ZINC000061982358 183369754 /nfs/dbraw/zinc/36/97/54/183369754.db2.gz XXLJAIOPNQTTGN-CYBMUJFWSA-N 1 0 244.338 2.270 10 0 BEAERO c1cc2c(cc1[C@H]1CCC[NH2+]1)CCCO2 ZINC000072201834 183371434 /nfs/dbraw/zinc/37/14/34/183371434.db2.gz PEAFRVMUUCHLEF-GFCCVEGCSA-N 1 0 203.285 2.436 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1cccc(OCC)c1 ZINC000032014534 169262475 /nfs/dbraw/zinc/26/24/75/169262475.db2.gz PAOXXQAGVISRJZ-CYBMUJFWSA-N 1 0 223.316 2.118 10 0 BEAERO c1cc(N2CCc3c[nH+]ccc32)nc(C2CC2)n1 ZINC000127781281 183372441 /nfs/dbraw/zinc/37/24/41/183372441.db2.gz BRUXSHDNCSJPBC-UHFFFAOYSA-N 1 0 238.294 2.443 10 0 BEAERO c1cc2c(s1)CCC[C@H]2[NH2+]C1COC1 ZINC000082488669 183372838 /nfs/dbraw/zinc/37/28/38/183372838.db2.gz YIROUJDMFFZSLK-SNVBAGLBSA-N 1 0 209.314 2.114 10 0 BEAERO c1cc(C2=[NH+]CCN2)cc2[nH]c3c(c12)CCCC3 ZINC000029551251 183373367 /nfs/dbraw/zinc/37/33/67/183373367.db2.gz VVODQFZYZUSTEN-UHFFFAOYSA-N 1 0 239.322 2.397 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000053654647 169262561 /nfs/dbraw/zinc/26/25/61/169262561.db2.gz JLGNASYKHQTYFW-HNNXBMFYSA-N 1 0 247.386 2.293 10 0 BEAERO c1cc2ccc(CN3CC[NH2+]CC3)cc2s1 ZINC000083099699 183376371 /nfs/dbraw/zinc/37/63/71/183376371.db2.gz PLMIMWDURIRYFK-UHFFFAOYSA-N 1 0 232.352 2.307 10 0 BEAERO CCCNC(=O)Nc1ccccc1[C@H](C)[NH2+]C ZINC000035645702 169240384 /nfs/dbraw/zinc/24/03/84/169240384.db2.gz WAEQQOHECZVSEG-JTQLQIEISA-N 1 0 235.331 2.499 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCCO1 ZINC000053651177 169262618 /nfs/dbraw/zinc/26/26/18/169262618.db2.gz BEVNLKRFCLTMGP-KBPBESRZSA-N 1 0 240.391 2.020 10 0 BEAERO c1cc2nc([C@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000089220994 183377343 /nfs/dbraw/zinc/37/73/43/183377343.db2.gz WSQYWGOYKYQFQI-SECBINFHSA-N 1 0 201.273 2.378 10 0 BEAERO c1cc2sc([C@@H]3CCC[NH2+]3)nc2cn1 ZINC000075868257 183378172 /nfs/dbraw/zinc/37/81/72/183378172.db2.gz VZCJIAKCDOMBSY-ZETCQYMHSA-N 1 0 205.286 2.116 10 0 BEAERO c1cc2sc([C@H]3CCC[NH2+]3)nc2cn1 ZINC000075868259 183378550 /nfs/dbraw/zinc/37/85/50/183378550.db2.gz VZCJIAKCDOMBSY-SSDOTTSWSA-N 1 0 205.286 2.116 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1CC ZINC000042579115 169242662 /nfs/dbraw/zinc/24/26/62/169242662.db2.gz LNKCTHMYKQYAMS-AGIUHOORSA-N 1 0 240.391 2.460 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042862087 169246948 /nfs/dbraw/zinc/24/69/48/169246948.db2.gz QOZNJEXCSYCWNT-AVGNSLFASA-N 1 0 240.391 2.317 10 0 BEAERO c1ccc(-c2nnc(CC[NH2+]C3CC3)s2)cc1 ZINC000082552554 183383667 /nfs/dbraw/zinc/38/36/67/183383667.db2.gz PCCFEPDGHXBRAC-UHFFFAOYSA-N 1 0 245.351 2.500 10 0 BEAERO CCC[NH2+][C@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037870248 169284680 /nfs/dbraw/zinc/28/46/80/169284680.db2.gz FEZGMXZKBYQIHZ-ZDUSSCGKSA-N 1 0 234.343 2.336 10 0 BEAERO CCC[NH2+][C@H](C(N)=O)c1csc2ccccc21 ZINC000054464959 169284973 /nfs/dbraw/zinc/28/49/73/169284973.db2.gz LIBCXLOTCAGNML-LBPRGKRZSA-N 1 0 248.351 2.427 10 0 BEAERO CCC[NH2+][C@H](C)c1csc(NC(C)=O)n1 ZINC000076784996 169287987 /nfs/dbraw/zinc/28/79/87/169287987.db2.gz YXYKXZBVLNGRLG-SSDOTTSWSA-N 1 0 227.333 2.162 10 0 BEAERO CCC[NH2+][C@H](CC)[C@H](C)c1nc(COC)no1 ZINC000104156274 169288522 /nfs/dbraw/zinc/28/85/22/169288522.db2.gz KMZJJNAEDKVRPX-VHSXEESVSA-N 1 0 241.335 2.098 10 0 BEAERO c1ccc(C2([NH+]3CCNCC3)CCCC2)cc1 ZINC000071535006 183389238 /nfs/dbraw/zinc/38/92/38/183389238.db2.gz KLDKYCLJFGCDMQ-UHFFFAOYSA-N 1 0 230.355 2.361 10 0 BEAERO CCC[NH2+][C@H](Cc1cccnc1)c1cnn(C)c1 ZINC000053132235 169289646 /nfs/dbraw/zinc/28/96/46/169289646.db2.gz AEBIHQQYQGKIDF-CQSZACIVSA-N 1 0 244.342 2.099 10 0 BEAERO CCC[NH2+]C[C@H](CC)N(C)C[C@@H]1CCCOC1 ZINC000104191493 169263255 /nfs/dbraw/zinc/26/32/55/169263255.db2.gz SWYWTVPZLGJSJB-KBPBESRZSA-N 1 0 242.407 2.123 10 0 BEAERO CCC[NH2+]C[C@H](O)COc1ccc(C)c(C)c1 ZINC000033466181 169263857 /nfs/dbraw/zinc/26/38/57/169263857.db2.gz GBXZYEZCMTXIAI-ZDUSSCGKSA-N 1 0 237.343 2.043 10 0 BEAERO CCC[NH2+]C[C@H]1CCCCN1C[C@@H]1CCCO1 ZINC000053651179 169264459 /nfs/dbraw/zinc/26/44/59/169264459.db2.gz BEVNLKRFCLTMGP-KGLIPLIRSA-N 1 0 240.391 2.020 10 0 BEAERO CCC[NH2+]C[C@H](O)c1ccc(OCC)cc1 ZINC000032014539 169264576 /nfs/dbraw/zinc/26/45/76/169264576.db2.gz MNPSLGRYPYVOGH-ZDUSSCGKSA-N 1 0 223.316 2.118 10 0 BEAERO CCC[NH2+]Cc1c(C)cc(C)nc1-n1cccn1 ZINC000051489264 169265658 /nfs/dbraw/zinc/26/56/58/169265658.db2.gz BKFYTYXVVQAAEL-UHFFFAOYSA-N 1 0 244.342 2.384 10 0 BEAERO CCC[NH2+]Cc1ccc(N(CC)CCC)nn1 ZINC000051440443 169267285 /nfs/dbraw/zinc/26/72/85/169267285.db2.gz MWTNQICHBSWHGR-UHFFFAOYSA-N 1 0 236.363 2.213 10 0 BEAERO CCC[NH2+]Cc1ccc(-n2cc(C)cn2)nc1 ZINC000051492269 169267291 /nfs/dbraw/zinc/26/72/91/169267291.db2.gz VONCBXOZANXTLF-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO CCC[NH2+]Cc1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000083258589 169268070 /nfs/dbraw/zinc/26/80/70/169268070.db2.gz DNKPTBUJDUADKK-UHFFFAOYSA-N 1 0 232.327 2.416 10 0 BEAERO c1ccc(C[N@@H+]2CC3(CC3)C3(C2)OCCO3)cc1 ZINC000095830583 183396107 /nfs/dbraw/zinc/39/61/07/183396107.db2.gz OWIKXZCJZUVNPT-UHFFFAOYSA-N 1 0 245.322 2.026 10 0 BEAERO CCC[NH2+]Cc1cnn(-c2ccc(F)cc2C)n1 ZINC000111739960 169270001 /nfs/dbraw/zinc/27/00/01/169270001.db2.gz QQHPNGJFFPYPBI-UHFFFAOYSA-N 1 0 248.305 2.214 10 0 BEAERO CCC[NH2+][C@@H](C)c1ccc(OCCO)c(F)c1 ZINC000034842057 169276799 /nfs/dbraw/zinc/27/67/99/169276799.db2.gz UTZVIZGYHDBXAP-JTQLQIEISA-N 1 0 241.306 2.257 10 0 BEAERO CCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000038123374 169278989 /nfs/dbraw/zinc/27/89/89/169278989.db2.gz KRRULQRQUJTSBL-NSHDSACASA-N 1 0 213.708 2.373 10 0 BEAERO CCC[NH2+][C@H]1c2ccc(OC(C)C)cc2NC1=O ZINC000103926463 169280652 /nfs/dbraw/zinc/28/06/52/169280652.db2.gz FFUXZFKTGIYOTR-ZDUSSCGKSA-N 1 0 248.326 2.467 10 0 BEAERO CCC[NH2+][C@@H]1CCN(C2CCCCCC2)C1=O ZINC000049648051 169281884 /nfs/dbraw/zinc/28/18/84/169281884.db2.gz VGFDCXGSKVMHHF-CYBMUJFWSA-N 1 0 238.375 2.310 10 0 BEAERO CCC[NH2+][C@@H]1CCCc2nc(N)sc21 ZINC000050330340 169282062 /nfs/dbraw/zinc/28/20/62/169282062.db2.gz VPSZYVYCPNCWFF-SSDOTTSWSA-N 1 0 211.334 2.102 10 0 BEAERO CCC[NH2+][C@@H]1CC[S@@](=O)c2ccccc21 ZINC000040973503 169282785 /nfs/dbraw/zinc/28/27/85/169282785.db2.gz FUJXAHPZLLBWPB-ABAIWWIYSA-N 1 0 223.341 2.239 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cccc(C)c2C)C1=O ZINC000049647807 169282943 /nfs/dbraw/zinc/28/29/43/169282943.db2.gz MGTBJKBCKFTRBV-CYBMUJFWSA-N 1 0 246.354 2.408 10 0 BEAERO CCC[NH2+][C@@H]1CCOc2cc3c(cc21)OCO3 ZINC000035654453 169283193 /nfs/dbraw/zinc/28/31/93/169283193.db2.gz KMPNWKRHMZIPBH-SNVBAGLBSA-N 1 0 235.283 2.239 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2cccnc2)C[C@@H]1C ZINC000049712447 169283350 /nfs/dbraw/zinc/28/33/50/169283350.db2.gz JJISCRYVMPDVFM-DZGCQCFKSA-N 1 0 247.386 2.292 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1=O ZINC000049647587 169283355 /nfs/dbraw/zinc/28/33/55/169283355.db2.gz HABCACJIOVGOIP-TZMCWYRMSA-N 1 0 246.354 2.348 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cccc(C)c2)C1=O ZINC000049647911 169283361 /nfs/dbraw/zinc/28/33/61/169283361.db2.gz IMUFBROHWCOYOJ-CYBMUJFWSA-N 1 0 232.327 2.100 10 0 BEAERO CCC[NH2+][C@@H]1CCN([C@@H]2CCCC[C@@H]2C)C1=O ZINC000049647857 169283452 /nfs/dbraw/zinc/28/34/52/169283452.db2.gz FSFUZXDWYNJCJS-YNEHKIRRSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[NH2+][C@@H]1CCc2c1cccc2OCCCO ZINC000062799856 169283466 /nfs/dbraw/zinc/28/34/66/169283466.db2.gz IROZXSRPTAQURV-CQSZACIVSA-N 1 0 249.354 2.435 10 0 BEAERO CCC[NH2+][C@@H]1COc2c1ccc(F)c2F ZINC000062611348 169283530 /nfs/dbraw/zinc/28/35/30/169283530.db2.gz VRULUSHPKYFCQQ-SECBINFHSA-N 1 0 213.227 2.398 10 0 BEAERO c1ccc(OCCC[NH2+]CCN2CCCC2)cc1 ZINC000059382865 183418821 /nfs/dbraw/zinc/41/88/21/183418821.db2.gz VNEPHEYTVIPNLN-UHFFFAOYSA-N 1 0 248.370 2.141 10 0 BEAERO c1ccc(OCCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000037855252 183419199 /nfs/dbraw/zinc/41/91/99/183419199.db2.gz DBPSBTGUGPJTPT-CQSZACIVSA-N 1 0 235.327 2.224 10 0 BEAERO CCCO[C@@H]1CCCN(C(=[NH2+])NC(C)(C)C)C1 ZINC000052039484 169311232 /nfs/dbraw/zinc/31/12/32/169311232.db2.gz OGWWDJXIVOPGSE-LLVKDONJSA-N 1 0 241.379 2.200 10 0 BEAERO CCCO[C@H]1CCCN(CC(C)(C)[NH2+]CC)C1 ZINC000061299842 169312535 /nfs/dbraw/zinc/31/25/35/169312535.db2.gz UWFKIXVXZVIBGH-ZDUSSCGKSA-N 1 0 242.407 2.266 10 0 BEAERO CCC[NH2+][C@H]1CCCCCC[C@H]1S(C)(=O)=O ZINC000054930529 169290843 /nfs/dbraw/zinc/29/08/43/169290843.db2.gz YLSDOEPGXRSLEY-NWDGAFQWSA-N 1 0 247.404 2.122 10 0 BEAERO CCC[NH2+][C@H]1CC[S@@](=O)c2ccccc21 ZINC000040973505 169292500 /nfs/dbraw/zinc/29/25/00/169292500.db2.gz FUJXAHPZLLBWPB-NHYWBVRUSA-N 1 0 223.341 2.239 10 0 BEAERO CCCNc1cc(CC)[nH+]c(N2CCCC2)n1 ZINC000050851435 169293403 /nfs/dbraw/zinc/29/34/03/169293403.db2.gz JIHVJRPFWJQEEF-UHFFFAOYSA-N 1 0 234.347 2.461 10 0 BEAERO c1[nH]c2ccccc2c1C[C@H]1CCC[NH2+]1 ZINC000028462190 183438799 /nfs/dbraw/zinc/43/87/99/183438799.db2.gz QDEZFSSAEVJNDS-LLVKDONJSA-N 1 0 200.285 2.462 10 0 BEAERO CCCNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040509917 169295826 /nfs/dbraw/zinc/29/58/26/169295826.db2.gz PNGSRSBWDGHDSL-UHFFFAOYSA-N 1 0 223.345 2.155 10 0 BEAERO CCCOc1ccc(CC[NH3+])c(OCC)c1 ZINC000037719797 169318802 /nfs/dbraw/zinc/31/88/02/169318802.db2.gz KPDAZSUKNRTHRL-UHFFFAOYSA-N 1 0 223.316 2.375 10 0 BEAERO c1ccc2nc(NC3CC[NH2+]CC3)ccc2c1 ZINC000019474365 183458339 /nfs/dbraw/zinc/45/83/39/183458339.db2.gz GETMYIQPPRWERL-UHFFFAOYSA-N 1 0 227.311 2.399 10 0 BEAERO CCCOc1ccc([C@@H](C[NH3+])N(C)CC)cc1 ZINC000020226548 169320787 /nfs/dbraw/zinc/32/07/87/169320787.db2.gz YASQBVDKVBYQTN-CQSZACIVSA-N 1 0 236.359 2.427 10 0 BEAERO CCCOc1ccc(OCCC[NH2+]C)cc1 ZINC000020525460 169321077 /nfs/dbraw/zinc/32/10/77/169321077.db2.gz JFGHHLZRFOIJJO-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO c1ccc2nc(SC[C@H]3CC[NH2+]C3)cnc2c1 ZINC000095092723 183459888 /nfs/dbraw/zinc/45/98/88/183459888.db2.gz AEOLXSNXQLDOKG-JTQLQIEISA-N 1 0 245.351 2.331 10 0 BEAERO CCCOc1cccc([C@@H](O)C[NH2+]CC)c1 ZINC000032014625 169325804 /nfs/dbraw/zinc/32/58/04/169325804.db2.gz ZCQJGFJGRBFEAX-ZDUSSCGKSA-N 1 0 223.316 2.118 10 0 BEAERO c1n[nH]cc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000038006332 183444223 /nfs/dbraw/zinc/44/42/23/183444223.db2.gz KCSKMXQIIRTLTH-CQSZACIVSA-N 1 0 227.311 2.057 10 0 BEAERO c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1[C@H]3COC[C@H]31)C2 ZINC000368610465 183446028 /nfs/dbraw/zinc/44/60/28/183446028.db2.gz AIWARYDDCIGNKB-YHUYYLMFSA-N 1 0 243.350 2.026 10 0 BEAERO c1cc2n(c1)-c1ccccc1NC21CC[NH2+]CC1 ZINC000021164228 183451012 /nfs/dbraw/zinc/45/10/12/183451012.db2.gz MAKYMFRXPNRPPO-UHFFFAOYSA-N 1 0 239.322 2.482 10 0 BEAERO CCC[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000020040751 169370567 /nfs/dbraw/zinc/37/05/67/169370567.db2.gz VVWVPGVLJBQVAZ-SECBINFHSA-N 1 0 238.306 2.203 10 0 BEAERO CCC[C@@H](C)C[NH2+]C1CCN(C(C)=O)CC1 ZINC000037138303 169359102 /nfs/dbraw/zinc/35/91/02/169359102.db2.gz JGKAPCJSGZJZHR-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H](CO)CC(C)C ZINC000040774922 169360269 /nfs/dbraw/zinc/36/02/69/169360269.db2.gz OQYVRZUCEIKJAT-VXGBXAGGSA-N 1 0 201.354 2.419 10 0 BEAERO CCC[C@@H](C)[NH2+][C@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037642591 169371460 /nfs/dbraw/zinc/37/14/60/169371460.db2.gz FJWKAQOLBHWTMU-RKDXNWHRSA-N 1 0 237.347 2.226 10 0 BEAERO CCC[C@@H](CCC[NH3+])C(=O)N1CCCCC1 ZINC000076612346 169382223 /nfs/dbraw/zinc/38/22/23/169382223.db2.gz SZOADNVYWATWNK-LBPRGKRZSA-N 1 0 226.364 2.154 10 0 BEAERO CCC[C@@H](C[NH3+])N(C)Cc1ccccc1 ZINC000019388320 169384160 /nfs/dbraw/zinc/38/41/60/169384160.db2.gz RXXFRPYWBFOLQN-ZDUSSCGKSA-N 1 0 206.333 2.246 10 0 BEAERO CCC[C@@H](Cc1nc(-c2ccco2)no1)[NH2+]C ZINC000110444879 169386627 /nfs/dbraw/zinc/38/66/27/169386627.db2.gz FOBCMWVZMSTTBK-VIFPVBQESA-N 1 0 235.287 2.260 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)Cc1ccccc1C ZINC000082379445 169386851 /nfs/dbraw/zinc/38/68/51/169386851.db2.gz FYUNTEZHLLKABZ-GFCCVEGCSA-N 1 0 205.301 2.234 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CC)c1cccs1 ZINC000049532183 169392120 /nfs/dbraw/zinc/39/21/20/169392120.db2.gz AUFSRRKNWSDUFK-NXEZZACHSA-N 1 0 240.372 2.443 10 0 BEAERO CCC[C@@H]([NH3+])c1nc2cc(OC)ccc2[nH]1 ZINC000071743294 169393986 /nfs/dbraw/zinc/39/39/86/169393986.db2.gz VBCKZKRLYCATGQ-SECBINFHSA-N 1 0 219.288 2.371 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(-c2cccnc2)c[nH]1 ZINC000036873882 169394010 /nfs/dbraw/zinc/39/40/10/169394010.db2.gz GMEXBWWPWNPGGD-SNVBAGLBSA-N 1 0 216.288 2.272 10 0 BEAERO CCC[C@@H]([NH3+])c1nnc(C2CCCC2)[nH]1 ZINC000041058793 169394017 /nfs/dbraw/zinc/39/40/17/169394017.db2.gz GBGBUOHRJCESHM-SECBINFHSA-N 1 0 208.309 2.262 10 0 BEAERO CCC[C@@H]([NH3+])c1noc(-c2ccc(C)o2)n1 ZINC000041052536 169395023 /nfs/dbraw/zinc/39/50/23/169395023.db2.gz CBTKETRMPZHMFO-MRVPVSSYSA-N 1 0 221.260 2.438 10 0 BEAERO CCC[C@@H]([NH3+])c1nncn1C1CCCC1 ZINC000054526339 169395366 /nfs/dbraw/zinc/39/53/66/169395366.db2.gz RMYQAJPRMFDTGX-SNVBAGLBSA-N 1 0 208.309 2.193 10 0 BEAERO CCC[C@@H]([NH2+]C)c1ccc2[nH]c(=O)oc2c1 ZINC000035500627 169399879 /nfs/dbraw/zinc/39/98/79/169399879.db2.gz QHLHUHKGPYNLLX-SECBINFHSA-N 1 0 220.272 2.182 10 0 BEAERO c1coc(CN(C[C@H]2CCCC[NH2+]2)C2CC2)c1 ZINC000042693294 183505962 /nfs/dbraw/zinc/50/59/62/183505962.db2.gz FOVYCEUXULZAON-GFCCVEGCSA-N 1 0 234.343 2.386 10 0 BEAERO c1csc(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000051783580 183517879 /nfs/dbraw/zinc/51/78/79/183517879.db2.gz FFWHNSXGMJTUIB-NSHDSACASA-N 1 0 222.357 2.074 10 0 BEAERO c1csc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000054301191 183515473 /nfs/dbraw/zinc/51/54/73/183515473.db2.gz KDJNTZFANKKGJV-VIFPVBQESA-N 1 0 249.339 2.340 10 0 BEAERO c1nnc(CC[C@@H]2CCCC[NH2+]2)n1C1CCCC1 ZINC000054526308 183551720 /nfs/dbraw/zinc/55/17/20/183551720.db2.gz IMQFWGZLFCHRBI-LBPRGKRZSA-N 1 0 248.374 2.468 10 0 BEAERO CCC[C@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096987016 169504699 /nfs/dbraw/zinc/50/46/99/169504699.db2.gz BSWWHPVBKXSAGA-MNOVXSKESA-N 1 0 242.363 2.371 10 0 BEAERO CCC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000035222712 169506672 /nfs/dbraw/zinc/50/66/72/169506672.db2.gz RGYNSPVFCDRGHI-KBPBESRZSA-N 1 0 246.354 2.396 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]CCC(C)(C)C(=O)OC ZINC000309938003 169533620 /nfs/dbraw/zinc/53/36/20/169533620.db2.gz ALLSWYRWCGFSBN-QWRGUYRKSA-N 1 0 227.348 2.354 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225338271 134354969 /nfs/dbraw/zinc/35/49/69/134354969.db2.gz RSOCTRXOCVAOKO-NTSWFWBYSA-N 1 0 202.710 2.295 10 0 BEAERO CCCn1ccc(C[NH2+]CCCCOC)c1 ZINC000085606057 169622118 /nfs/dbraw/zinc/62/21/18/169622118.db2.gz SGZQQXQKNUCRNW-UHFFFAOYSA-N 1 0 224.348 2.414 10 0 BEAERO CCCn1cc([C@@H]2CCC[C@@H]2[NH2+]C)cn1 ZINC000060716074 169620566 /nfs/dbraw/zinc/62/05/66/169620566.db2.gz KJTXJZZLIWPJIS-RYUDHWBXSA-N 1 0 207.321 2.149 10 0 BEAERO CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227461253 134383867 /nfs/dbraw/zinc/38/38/67/134383867.db2.gz HSLSUTSZUWSCCJ-JHJVBQTASA-N 1 0 240.391 2.315 10 0 BEAERO C[NH+](C)C[C@@]1(C)Cc2sccc2C1=O ZINC000001615691 383913281 /nfs/dbraw/zinc/91/32/81/383913281.db2.gz WBSYDCDKHPIOFZ-LLVKDONJSA-N 1 0 209.314 2.055 10 0 BEAERO C[C@H]([NH2+]Cc1ccnn1C)c1cccc(F)c1 ZINC000036901259 383917923 /nfs/dbraw/zinc/91/79/23/383917923.db2.gz ZGQVLZGHTUMXJP-JTQLQIEISA-N 1 0 233.290 2.410 10 0 BEAERO C[C@H]([NH2+]Cc1ncccc1Cl)[C@H]1CCCO1 ZINC000528441773 383884023 /nfs/dbraw/zinc/88/40/23/383884023.db2.gz APGDGYAGNMFERC-JOYOIKCWSA-N 1 0 240.734 2.392 10 0 BEAERO COC[C@H](C[NH2+]CC1CCC(C)CC1)OC ZINC000227704780 134384609 /nfs/dbraw/zinc/38/46/09/134384609.db2.gz WMYPCYJFMGMBBT-BPCQOVAHSA-N 1 0 229.364 2.064 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1c(Cl)cnn1C ZINC000131926542 383898835 /nfs/dbraw/zinc/89/88/35/383898835.db2.gz JVRGLZKJDGOSMQ-WCBMZHEXSA-N 1 0 227.739 2.352 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)C ZINC000043051068 383996424 /nfs/dbraw/zinc/99/64/24/383996424.db2.gz MOOMLKPPACHIFF-LDYMZIIASA-N 1 0 212.724 2.290 10 0 BEAERO [NH3+][C@H](COC(F)(F)F)c1ccccc1 ZINC000068576567 383999742 /nfs/dbraw/zinc/99/97/42/383999742.db2.gz LRUXMHNYRNKJEM-MRVPVSSYSA-N 1 0 205.179 2.223 10 0 BEAERO CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089165765 383937780 /nfs/dbraw/zinc/93/77/80/383937780.db2.gz LLPJCXMOXHCHLV-TZMCWYRMSA-N 1 0 249.354 2.336 10 0 BEAERO Clc1ccc(CC[NH2+]Cc2cncnc2)cc1 ZINC000054767040 383957993 /nfs/dbraw/zinc/95/79/93/383957993.db2.gz KGGHZDQMVZDJNE-UHFFFAOYSA-N 1 0 247.729 2.462 10 0 BEAERO C[C@H](c1cncs1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000309411854 383977395 /nfs/dbraw/zinc/97/73/95/383977395.db2.gz IYFINVRYTXFHCF-CKYFFXLPSA-N 1 0 239.388 2.121 10 0 BEAERO Clc1nc2ccccc2nc1N[C@@H]1CC[NH2+]C1 ZINC000073735977 384019522 /nfs/dbraw/zinc/01/95/22/384019522.db2.gz BGKLMEPLFUDCOI-MRVPVSSYSA-N 1 0 248.717 2.057 10 0 BEAERO C[NH2+][C@H](C)Cc1cc(OC)c(C)cc1OC ZINC000003614055 384021293 /nfs/dbraw/zinc/02/12/93/384021293.db2.gz IWYGVDBZCSCJGT-SNVBAGLBSA-N 1 0 223.316 2.163 10 0 BEAERO CN(Cc1ccccc1)[C@H]1CCCC[C@H]1[NH3+] ZINC000072233352 384086507 /nfs/dbraw/zinc/08/65/07/384086507.db2.gz FTAQCJUQTAEZTC-KGLIPLIRSA-N 1 0 218.344 2.388 10 0 BEAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)C(N)=O)cc1 ZINC000038386215 384089446 /nfs/dbraw/zinc/08/94/46/384089446.db2.gz UUZNJWGRKGDDDT-NWDGAFQWSA-N 1 0 248.370 2.410 10 0 BEAERO [NH3+][C@H]1CSC[C@@H]1Cc1ccccc1F ZINC000098099413 384057004 /nfs/dbraw/zinc/05/70/04/384057004.db2.gz ZMPJDPGDZVZIQT-ONGXEEELSA-N 1 0 211.305 2.059 10 0 BEAERO C[NH2+][C@H]1COc2ccc(Br)cc21 ZINC000035657582 384090283 /nfs/dbraw/zinc/09/02/83/384090283.db2.gz JQMCYYQLUQYZKS-QMMMGPOBSA-N 1 0 228.089 2.102 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COC(C)C)o1 ZINC000038097642 384070389 /nfs/dbraw/zinc/07/03/89/384070389.db2.gz BALNCZDQMVXALC-NWDGAFQWSA-N 1 0 241.331 2.025 10 0 BEAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1nncs1 ZINC000035724571 384097545 /nfs/dbraw/zinc/09/75/45/384097545.db2.gz MAMFWZXVMKJOOA-SFYZADRCSA-N 1 0 229.374 2.148 10 0 BEAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@H](c1ccccc1O)C2 ZINC000072415405 384104729 /nfs/dbraw/zinc/10/47/29/384104729.db2.gz YYVLOIDHCYNDKC-ONGXEEELSA-N 1 0 243.310 2.154 10 0 BEAERO Cc1ccc(CNc2[nH+]ccn2C)s1 ZINC000050606668 384105339 /nfs/dbraw/zinc/10/53/39/384105339.db2.gz VCMBQGXXZNPQHM-UHFFFAOYSA-N 1 0 207.302 2.402 10 0 BEAERO Cn1ncc2c1C[C@@H](c1cccs1)C[C@H]2[NH3+] ZINC000072415888 384107646 /nfs/dbraw/zinc/10/76/46/384107646.db2.gz XUSOXJVQYRKCEK-WCBMZHEXSA-N 1 0 233.340 2.211 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]CC1CCOCC1 ZINC000070528490 384116163 /nfs/dbraw/zinc/11/61/63/384116163.db2.gz MRSCAPVFLQLHNH-CYBMUJFWSA-N 1 0 233.311 2.136 10 0 BEAERO CC(C)(C)[C@H]1[NH2+][C@@H](C(N)=O)C[C@@H]2CCCC[C@H]21 ZINC000091351825 384120638 /nfs/dbraw/zinc/12/06/38/384120638.db2.gz QEVWIWYBRGIBPE-QCNOEVLYSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@@H](COC)[NH2+][C@H]1COc2ccccc21 ZINC000070624489 384124510 /nfs/dbraw/zinc/12/45/10/384124510.db2.gz XDMUTOJXWQWLJR-JQWIXIFHSA-N 1 0 221.300 2.135 10 0 BEAERO c1ccc([C@H]2OC[C@@H]([C@@H]3CCCC[NH2+]3)O2)cc1 ZINC000005934459 384138808 /nfs/dbraw/zinc/13/88/08/384138808.db2.gz XKGUUISNOPCNKA-IHRRRGAJSA-N 1 0 233.311 2.243 10 0 BEAERO CCc1ccccc1O[C@@H](C)C1=[NH+]CCN1 ZINC000027712338 384165675 /nfs/dbraw/zinc/16/56/75/384165675.db2.gz RUFDXBQFEDFKDE-JTQLQIEISA-N 1 0 218.300 2.018 10 0 BEAERO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccccc1Cl ZINC000040925497 384169406 /nfs/dbraw/zinc/16/94/06/384169406.db2.gz NSCUEJNUBNOCPD-MRVPVSSYSA-N 1 0 240.734 2.255 10 0 BEAERO Fc1ccc([C@@H]2CC[NH2+]C2)c(F)c1F ZINC000071508138 384170107 /nfs/dbraw/zinc/17/01/07/384170107.db2.gz YOONGFUTEYSCND-ZCFIWIBFSA-N 1 0 201.191 2.181 10 0 BEAERO C[N@H+](C[C@@H]1OCCc2ccccc21)CC(C)(C)O ZINC000118224173 384196191 /nfs/dbraw/zinc/19/61/91/384196191.db2.gz QFMLXROKIICHIT-AWEZNQCLSA-N 1 0 249.354 2.003 10 0 BEAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000093438405 384238857 /nfs/dbraw/zinc/23/88/57/384238857.db2.gz USKZYFNRGGEOAK-CQSZACIVSA-N 1 0 247.342 2.283 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCCC1 ZINC000043114975 384251167 /nfs/dbraw/zinc/25/11/67/384251167.db2.gz MKAZJKMXJKZHBH-MWLCHTKSSA-N 1 0 210.346 2.232 10 0 BEAERO CC[C@](C)(O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000119425168 384270293 /nfs/dbraw/zinc/27/02/93/384270293.db2.gz LNEHKISGTNREII-JTQLQIEISA-N 1 0 239.281 2.422 10 0 BEAERO [NH3+][C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000074077956 384274139 /nfs/dbraw/zinc/27/41/39/384274139.db2.gz NYAVATPUTHELAJ-JTQLQIEISA-N 1 0 219.332 2.273 10 0 BEAERO FC(F)(F)[C@@H]1C[NH2+]C[C@H](C2CCCC2)O1 ZINC000074942705 384314249 /nfs/dbraw/zinc/31/42/49/384314249.db2.gz PQRFYIAFENWTLV-BDAKNGLRSA-N 1 0 223.238 2.096 10 0 BEAERO c1ccc2c(c1)C[C@H]([C@H]1CCC[NH2+]1)CN2 ZINC000012357049 384314848 /nfs/dbraw/zinc/31/48/48/384314848.db2.gz GGYJIOPBXKUYGC-WCQYABFASA-N 1 0 202.301 2.023 10 0 BEAERO FC(F)(F)[C@@H]1C[NH2+]C[C@@H](C2CCCC2)O1 ZINC000074942703 384314785 /nfs/dbraw/zinc/31/47/85/384314785.db2.gz PQRFYIAFENWTLV-IUCAKERBSA-N 1 0 223.238 2.096 10 0 BEAERO C[C@H](C[NH2+][C@@H](C)c1ccccc1)N1CCOCC1 ZINC000119577496 384287002 /nfs/dbraw/zinc/28/70/02/384287002.db2.gz SNZHWGMDISSCPX-KGLIPLIRSA-N 1 0 248.370 2.058 10 0 BEAERO CC[NH+](CC)CCSC[C@@H](O)C(C)(C)C ZINC000308790511 384293156 /nfs/dbraw/zinc/29/31/56/384293156.db2.gz ICUDHZXULCIPJV-LLVKDONJSA-N 1 0 233.421 2.468 10 0 BEAERO CCc1ccc2c(c1)C(=O)CC1(CC[NH2+]CC1)O2 ZINC000011849198 384297803 /nfs/dbraw/zinc/29/78/03/384297803.db2.gz MHYMRGZADUZOTB-UHFFFAOYSA-N 1 0 245.322 2.336 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccco1 ZINC000094447730 384302485 /nfs/dbraw/zinc/30/24/85/384302485.db2.gz QYIXVJKHHWRSNC-QWHCGFSZSA-N 1 0 234.343 2.338 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncc(Cl)cc2F)C1 ZINC000335581058 384343495 /nfs/dbraw/zinc/34/34/95/384343495.db2.gz MKPUFEJPJIALSB-APPZFPTMSA-N 1 0 243.713 2.413 10 0 BEAERO [NH3+][C@H]1CCOc2c(F)cc(Cl)cc21 ZINC000075882236 384345348 /nfs/dbraw/zinc/34/53/48/384345348.db2.gz OIVYNUIVZGGTAZ-QMMMGPOBSA-N 1 0 201.628 2.261 10 0 BEAERO CC[C@@H](C)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000120388862 384350142 /nfs/dbraw/zinc/35/01/42/384350142.db2.gz ZAQNMQMYBOTLBF-OLZOCXBDSA-N 1 0 248.374 2.081 10 0 BEAERO Cc1ccsc1[C@H](CCO)[NH2+]C(C)C ZINC000095088296 384360193 /nfs/dbraw/zinc/36/01/93/384360193.db2.gz BUEJCKUSODTNLN-JTQLQIEISA-N 1 0 213.346 2.478 10 0 BEAERO Cc1ccsc1[C@@H](CCO)[NH2+]C1CC1 ZINC000095089753 384360246 /nfs/dbraw/zinc/36/02/46/384360246.db2.gz QTGAMOXBZHYIMP-SNVBAGLBSA-N 1 0 211.330 2.232 10 0 BEAERO CC1(C)[C@@H]([NH2+][C@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000084066982 384361880 /nfs/dbraw/zinc/36/18/80/384361880.db2.gz HWWVCZSOBVLAKT-CYDGBPFRSA-N 1 0 221.344 2.498 10 0 BEAERO c1ccc(CSC[C@H]2CCC[NH2+]2)nc1 ZINC000095092739 384363015 /nfs/dbraw/zinc/36/30/15/384363015.db2.gz CVXBFGOFERMVSW-LLVKDONJSA-N 1 0 208.330 2.067 10 0 BEAERO c1ccc(CSC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095092740 384363049 /nfs/dbraw/zinc/36/30/49/384363049.db2.gz SCMMPPFBZALNMJ-LLVKDONJSA-N 1 0 222.357 2.314 10 0 BEAERO c1ccc2nc(S[C@@H]3CC[NH2+]C3)cnc2c1 ZINC000095092780 384363750 /nfs/dbraw/zinc/36/37/50/384363750.db2.gz CXCNEVZVDJEWTR-SECBINFHSA-N 1 0 231.324 2.084 10 0 BEAERO [NH3+]Cc1ccc2nc(C(F)(F)F)oc2c1 ZINC000075410589 384324215 /nfs/dbraw/zinc/32/42/15/384324215.db2.gz BMQAANVJSJNFBC-UHFFFAOYSA-N 1 0 216.162 2.305 10 0 BEAERO Cc1ccnc(OCCC2CC[NH2+]CC2)c1 ZINC000095068994 384333034 /nfs/dbraw/zinc/33/30/34/384333034.db2.gz RYKFYOYCJBJWKQ-UHFFFAOYSA-N 1 0 220.316 2.159 10 0 BEAERO Clc1cnc(SC[C@H]2CCC[NH2+]C2)nc1 ZINC000095070076 384334081 /nfs/dbraw/zinc/33/40/81/384334081.db2.gz WWPMFDSUXTUCDF-QMMMGPOBSA-N 1 0 243.763 2.222 10 0 BEAERO Clc1ccc(SC[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069985 384334259 /nfs/dbraw/zinc/33/42/59/384334259.db2.gz HFZGPKUZFMVGFB-MRVPVSSYSA-N 1 0 243.763 2.222 10 0 BEAERO Cc1cnc(N[C@H]2CCCC[C@H]2[NH3+])nc1Cl ZINC000095069332 384334821 /nfs/dbraw/zinc/33/48/21/384334821.db2.gz YGCVWTWFUCGHLD-BDAKNGLRSA-N 1 0 240.738 2.120 10 0 BEAERO [NH3+][C@@H]1CSC=C2C=CC(Br)=C[C@H]21 ZINC000095921496 384408057 /nfs/dbraw/zinc/40/80/57/384408057.db2.gz RSTPUNCMLHKZJC-RKDXNWHRSA-N 1 0 244.157 2.409 10 0 BEAERO FC(F)(F)[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000095930328 384410371 /nfs/dbraw/zinc/41/03/71/384410371.db2.gz CTFBUVNLDHEKNL-NSHDSACASA-N 1 0 244.260 2.023 10 0 BEAERO CC[C@@H]([NH2+]CCN1CCCC1)C(C)(C)C ZINC000309191172 384421063 /nfs/dbraw/zinc/42/10/63/384421063.db2.gz PQRNGFZYZYOAAQ-GFCCVEGCSA-N 1 0 212.381 2.497 10 0 BEAERO CC1(C)CC([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000309112344 384423977 /nfs/dbraw/zinc/42/39/77/384423977.db2.gz KCHZCJNUZODJIF-JQWIXIFHSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000135296532 384431325 /nfs/dbraw/zinc/43/13/25/384431325.db2.gz NYPGCBXIOMBYGQ-CYZMBNFOSA-N 1 0 233.311 2.277 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000135300568 384434489 /nfs/dbraw/zinc/43/44/89/384434489.db2.gz UBSCRJBEUIZFKU-UMNHJUIQSA-N 1 0 249.310 2.243 10 0 BEAERO C[C@@H]([NH3+])c1csc(-c2cccnc2)n1 ZINC000011568394 384462112 /nfs/dbraw/zinc/46/21/12/384462112.db2.gz FUACUQFNXGWFTO-SSDOTTSWSA-N 1 0 205.286 2.225 10 0 BEAERO Cn1nccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000047892342 384470500 /nfs/dbraw/zinc/47/05/00/384470500.db2.gz JGUYFJCNFIFXJM-AWEZNQCLSA-N 1 0 241.338 2.067 10 0 BEAERO FC(F)(F)c1ccnc(C[C@H]2CCC[NH2+]C2)n1 ZINC000096895354 384482801 /nfs/dbraw/zinc/48/28/01/384482801.db2.gz MRXNBQYUBPFCJR-MRVPVSSYSA-N 1 0 245.248 2.038 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000236478930 384499035 /nfs/dbraw/zinc/49/90/35/384499035.db2.gz YTQBXSADMUNUGC-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO CC(C)Oc1cc(F)ccc1N1CC[NH2+]CC1 ZINC000079367758 384494020 /nfs/dbraw/zinc/49/40/20/384494020.db2.gz XYWRFSVJNMOULI-UHFFFAOYSA-N 1 0 238.306 2.023 10 0 BEAERO C1C[NH2+][C@H](c2nc3c(s2)CCCC3)C1 ZINC000011631971 384515587 /nfs/dbraw/zinc/51/55/87/384515587.db2.gz QARRIGSDQGARQF-VIFPVBQESA-N 1 0 208.330 2.446 10 0 BEAERO CC(C)OCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000170901305 384529890 /nfs/dbraw/zinc/52/98/90/384529890.db2.gz VBHFISIFWUBKFZ-NSHDSACASA-N 1 0 217.378 2.239 10 0 BEAERO C(=C/c1ccccc1)\CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172163388 384539981 /nfs/dbraw/zinc/53/99/81/384539981.db2.gz DZTMROKQUCQRHH-KZJSRBBCSA-N 1 0 242.366 2.480 10 0 BEAERO Cn1cc([C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000120144262 384572623 /nfs/dbraw/zinc/57/26/23/384572623.db2.gz XOWSGFNHLUEJSJ-LLVKDONJSA-N 1 0 219.332 2.152 10 0 BEAERO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CCF)[S@@](C)=O ZINC000309762251 384588099 /nfs/dbraw/zinc/58/80/99/384588099.db2.gz MVRVOMNAKMQXQB-DSZLRUIBSA-N 1 0 249.395 2.261 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)CCc1ncc(C)s1 ZINC000162067416 384565474 /nfs/dbraw/zinc/56/54/74/384565474.db2.gz PRQDSUYJTHQKSB-LBPRGKRZSA-N 1 0 242.388 2.087 10 0 BEAERO CC(=O)Nc1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)O2 ZINC000011848993 384626206 /nfs/dbraw/zinc/62/62/06/384626206.db2.gz UVAJMYCFIMEHCP-NSHDSACASA-N 1 0 234.299 2.206 10 0 BEAERO CC[NH+](CC)[C@H](C)CNCc1nc(C)cs1 ZINC000117382243 384626954 /nfs/dbraw/zinc/62/69/54/384626954.db2.gz QFILJAGFNJLVLB-LLVKDONJSA-N 1 0 241.404 2.271 10 0 BEAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2ccco2)C1 ZINC000100265989 384627819 /nfs/dbraw/zinc/62/78/19/384627819.db2.gz GDKHFJUURUXTQX-WDEREUQCSA-N 1 0 208.305 2.024 10 0 BEAERO CC1(C)C(=O)C[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC000098095955 384594093 /nfs/dbraw/zinc/59/40/93/384594093.db2.gz AXVNOTIPEVTRMC-ZDUSSCGKSA-N 1 0 233.311 2.030 10 0 BEAERO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000300830815 384595743 /nfs/dbraw/zinc/59/57/43/384595743.db2.gz BZXWEFYOUCOIFX-OLZOCXBDSA-N 1 0 213.365 2.373 10 0 BEAERO Cc1cc(CC(=O)c2ccccc2)c[n+](C)c1 ZINC000098177658 384598830 /nfs/dbraw/zinc/59/88/30/384598830.db2.gz OQVBROHJLYAXQL-UHFFFAOYSA-N 1 0 226.299 2.245 10 0 BEAERO CC(C)(C)OC(=O)N1C[C@H](C[NH3+])c2ccccc21 ZINC000098180709 384601678 /nfs/dbraw/zinc/60/16/78/384601678.db2.gz FLRGVFQWIPNTAJ-JTQLQIEISA-N 1 0 248.326 2.484 10 0 BEAERO Cc1c(C[NH2+][C@@]2(C)CC=CCC2)cnn1C ZINC000335242488 384672158 /nfs/dbraw/zinc/67/21/58/384672158.db2.gz UMXLAXQNASQCIM-ZDUSSCGKSA-N 1 0 219.332 2.317 10 0 BEAERO C[NH2+][C@H](c1cccs1)C1CCOCC1 ZINC000061671654 384653177 /nfs/dbraw/zinc/65/31/77/384653177.db2.gz GTHJSAHQVZIYSW-NSHDSACASA-N 1 0 211.330 2.435 10 0 BEAERO CCOC[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000044691748 384661221 /nfs/dbraw/zinc/66/12/21/384661221.db2.gz JBKJXWQWVRFQRK-NSHDSACASA-N 1 0 239.363 2.153 10 0 BEAERO Cc1c(C[NH2+]CC2CCCC2)cnn1C ZINC000086551920 384661946 /nfs/dbraw/zinc/66/19/46/384661946.db2.gz KANNORHIMSESOX-UHFFFAOYSA-N 1 0 207.321 2.008 10 0 BEAERO CC[C@@H](C)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000125952320 384724725 /nfs/dbraw/zinc/72/47/25/384724725.db2.gz FNTCSMSDRMFSNU-SECBINFHSA-N 1 0 208.305 2.287 10 0 BEAERO Cc1ccc2c(c1)[C@H](N)C(=O)N2C1CCCC1 ZINC000142317258 384694015 /nfs/dbraw/zinc/69/40/15/384694015.db2.gz XPJGETKGPOUASR-ZDUSSCGKSA-N 1 0 230.311 2.284 10 0 BEAERO Cc1ccc(OCC[C@H]2CCCC[NH2+]2)nc1 ZINC000051871012 384696799 /nfs/dbraw/zinc/69/67/99/384696799.db2.gz JBCYTICFBZNIOU-GFCCVEGCSA-N 1 0 220.316 2.301 10 0 BEAERO C[C@@H]([NH3+])[C@H](n1cc(Cl)cn1)C(C)(C)C ZINC000043294976 384726974 /nfs/dbraw/zinc/72/69/74/384726974.db2.gz MCBZCUJVBNSDCP-APPZFPTMSA-N 1 0 215.728 2.471 10 0 BEAERO [NH3+]CCc1c(Cl)[nH]c2ccc(F)cc21 ZINC000011919514 384706722 /nfs/dbraw/zinc/70/67/22/384706722.db2.gz NFTSSRPOGBXLKN-UHFFFAOYSA-N 1 0 212.655 2.462 10 0 BEAERO c1ccc2nc(OCC3CC[NH2+]CC3)cnc2c1 ZINC000052018286 384710432 /nfs/dbraw/zinc/71/04/32/384710432.db2.gz OLWNPGXAMMHMKS-UHFFFAOYSA-N 1 0 243.310 2.008 10 0 BEAERO CC1(C)[C@H]([NH2+]CCCOC(F)F)[C@H]2CCO[C@@H]21 ZINC000374606508 384716267 /nfs/dbraw/zinc/71/62/67/384716267.db2.gz BVYATMGIVZEYBI-BBBLOLIVSA-N 1 0 249.301 2.019 10 0 BEAERO C[C@@H]1Oc2c(cc(Br)cc2F)[C@H]1[NH3+] ZINC000043634302 384718603 /nfs/dbraw/zinc/71/86/03/384718603.db2.gz CJFMUEWOSUPUCM-NVNXEXLPSA-N 1 0 246.079 2.369 10 0 BEAERO COCC[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000309947103 384732535 /nfs/dbraw/zinc/73/25/35/384732535.db2.gz DTPUEWKGZYRBOK-QJPTWQEYSA-N 1 0 229.364 2.205 10 0 BEAERO C[C@H]([NH3+])Cc1cscc1Br ZINC000044463327 384733717 /nfs/dbraw/zinc/73/37/17/384733717.db2.gz IBKNAWOMRXDJHA-YFKPBYRVSA-N 1 0 220.135 2.400 10 0 BEAERO Cc1[nH+]ccc(N2C[C@H](O)C[C@H](C)C2)c1Cl ZINC000334812695 384734217 /nfs/dbraw/zinc/73/42/17/384734217.db2.gz MKRNTUBQLMOHIL-WCBMZHEXSA-N 1 0 240.734 2.251 10 0 BEAERO N[C@H](C[NH3+])c1cccc(-c2ccccc2)c1 ZINC000044468874 384734873 /nfs/dbraw/zinc/73/48/73/384734873.db2.gz RGWXDRWEMCMNMG-CQSZACIVSA-N 1 0 212.296 2.312 10 0 BEAERO N[C@H](C[NH3+])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000044473136 384743146 /nfs/dbraw/zinc/74/31/46/384743146.db2.gz NWSOYVDAPWCURP-MRVPVSSYSA-N 1 0 238.640 2.317 10 0 BEAERO C[C@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000083215458 384751809 /nfs/dbraw/zinc/75/18/09/384751809.db2.gz DDAKQAVSPSANPX-IUCAKERBSA-N 1 0 229.270 2.244 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cn(C)nc1C ZINC000126274972 384759350 /nfs/dbraw/zinc/75/93/50/384759350.db2.gz PVXFESUJZOGPDL-CMPLNLGQSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@H]([NH3+])COc1cccc(C(F)(F)F)c1 ZINC000075881369 384767510 /nfs/dbraw/zinc/76/75/10/384767510.db2.gz KQRUGYNJLMFAJK-ZETCQYMHSA-N 1 0 219.206 2.431 10 0 BEAERO Cc1ccc(F)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375812954 384816620 /nfs/dbraw/zinc/81/66/20/384816620.db2.gz YVAJQJRHMLZXNK-ZSOGYDGISA-N 1 0 235.302 2.116 10 0 BEAERO C[NH2+][C@@H](C)c1nc2c(cccc2Cl)[nH]1 ZINC000054053035 384819582 /nfs/dbraw/zinc/81/95/82/384819582.db2.gz KUTYQIMAPPCDHQ-LURJTMIESA-N 1 0 209.680 2.497 10 0 BEAERO C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1[C@H]2COC[C@H]21 ZINC000376055235 384833442 /nfs/dbraw/zinc/83/34/42/384833442.db2.gz IUHQCVLQXKOIRA-YYFQZIEXSA-N 1 0 235.371 2.437 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000043388741 384791492 /nfs/dbraw/zinc/79/14/92/384791492.db2.gz XJUIOTOLHUPYKB-ZJUUUORDSA-N 1 0 217.671 2.250 10 0 BEAERO [NH3+]C[C@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000053663241 384801452 /nfs/dbraw/zinc/80/14/52/384801452.db2.gz TUPXBQJNROEMSB-SECBINFHSA-N 1 0 245.248 2.028 10 0 BEAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)C1CC1 ZINC000364327780 384885580 /nfs/dbraw/zinc/88/55/80/384885580.db2.gz PYJKVHZYYRADFY-QCZZGDTMSA-N 1 0 217.312 2.033 10 0 BEAERO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000376069123 384838338 /nfs/dbraw/zinc/83/83/38/384838338.db2.gz RDCSDJKWPAJTKQ-XQLPTFJDSA-N 1 0 247.313 2.295 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1nccn1C ZINC000336738560 384840035 /nfs/dbraw/zinc/84/00/35/384840035.db2.gz OIZBZTITDNFVPZ-VXGBXAGGSA-N 1 0 221.348 2.479 10 0 BEAERO COC(=O)c1coc(C[NH2+]CC(C)(C)C)c1 ZINC000126915716 384841281 /nfs/dbraw/zinc/84/12/81/384841281.db2.gz DAKXTLGSXLSQAA-UHFFFAOYSA-N 1 0 225.288 2.202 10 0 BEAERO CC(C)(C)OCC[N@@H+]1CCC[C@@H]1CCCO ZINC000104956840 384851057 /nfs/dbraw/zinc/85/10/57/384851057.db2.gz TXSLPPQYEARUCK-GFCCVEGCSA-N 1 0 229.364 2.038 10 0 BEAERO C[C@H]1C[C@@H](O)CN(c2cc[nH+]c3ccccc32)C1 ZINC000335239217 384864352 /nfs/dbraw/zinc/86/43/52/384864352.db2.gz RYBDIEQFJFRUJT-NWDGAFQWSA-N 1 0 242.322 2.442 10 0 BEAERO Cc1ncc(C[NH2+]Cc2nc(C)ccc2O)s1 ZINC000105448438 384868140 /nfs/dbraw/zinc/86/81/40/384868140.db2.gz KZRDKBVMMQBDLJ-UHFFFAOYSA-N 1 0 249.339 2.150 10 0 BEAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccsc1 ZINC000054686019 384954063 /nfs/dbraw/zinc/95/40/63/384954063.db2.gz VZEFGKMNDNQDPU-QWHCGFSZSA-N 1 0 233.336 2.352 10 0 BEAERO Clc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)s1 ZINC000368616775 384954236 /nfs/dbraw/zinc/95/42/36/384954236.db2.gz UYQYBBYGIAYYHE-OWUUHHOZSA-N 1 0 243.759 2.384 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cscn1 ZINC000127864358 384956084 /nfs/dbraw/zinc/95/60/84/384956084.db2.gz GSYLWRYUBBFREX-HBNTYKKESA-N 1 0 240.372 2.345 10 0 BEAERO CCOc1cc(C[NH3+])cc(OCC)c1F ZINC000575721438 384898664 /nfs/dbraw/zinc/89/86/64/384898664.db2.gz LBYIASUWMKEZOJ-UHFFFAOYSA-N 1 0 213.252 2.082 10 0 BEAERO C[N@@H+]1CCC=C(c2ccc(Cl)nc2)C1 ZINC000027652127 384906041 /nfs/dbraw/zinc/90/60/41/384906041.db2.gz YWDRNTZRCJXPPD-UHFFFAOYSA-N 1 0 208.692 2.454 10 0 BEAERO C[N@H+](C[C@@H](O)C1CCCCC1)C1CCC1 ZINC000127712990 384910702 /nfs/dbraw/zinc/91/07/02/384910702.db2.gz IXOLZEBGGGVBSO-CYBMUJFWSA-N 1 0 211.349 2.412 10 0 BEAERO c1cn(C[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000258070917 384929325 /nfs/dbraw/zinc/92/93/25/384929325.db2.gz HHUDKFZAZBEHRH-LLVKDONJSA-N 1 0 215.300 2.036 10 0 BEAERO C[C@@H](C[NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1 ZINC000367681446 384930048 /nfs/dbraw/zinc/93/00/48/384930048.db2.gz CBAGIOQGVPDMHG-CYUUQNCZSA-N 1 0 231.339 2.272 10 0 BEAERO C[C@H](C[NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1 ZINC000367681448 384932135 /nfs/dbraw/zinc/93/21/35/384932135.db2.gz CBAGIOQGVPDMHG-NGFQHRJXSA-N 1 0 231.339 2.272 10 0 BEAERO CO[C@@H](C[N@@H+]1CC[C@H](CCO)C1)c1ccccc1 ZINC000338547461 384936037 /nfs/dbraw/zinc/93/60/37/384936037.db2.gz ONHRFYFDBRZIMM-HIFRSBDPSA-N 1 0 249.354 2.078 10 0 BEAERO CCCCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000117884401 384937763 /nfs/dbraw/zinc/93/77/63/384937763.db2.gz TXTWWGVWDZYFQF-GFCCVEGCSA-N 1 0 221.348 2.400 10 0 BEAERO CCCCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000117884398 384938330 /nfs/dbraw/zinc/93/83/30/384938330.db2.gz TXTWWGVWDZYFQF-LBPRGKRZSA-N 1 0 221.348 2.400 10 0 BEAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCCNC(=O)[C@H]2C)C1 ZINC000249010909 384974993 /nfs/dbraw/zinc/97/49/93/384974993.db2.gz IOYAWHKWIKYSTE-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)CC(C)(C)C1 ZINC000310313388 384975275 /nfs/dbraw/zinc/97/52/75/384975275.db2.gz WXOKUSQODZPYKI-GRYCIOLGSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)CC(C)(C)C1 ZINC000310313395 384975590 /nfs/dbraw/zinc/97/55/90/384975590.db2.gz WXOKUSQODZPYKI-WOPDTQHZSA-N 1 0 238.375 2.022 10 0 BEAERO CCN(C(=O)[C@@H](C)C1C[NH2+]C1)c1ccc(C)cc1 ZINC000164482998 384999659 /nfs/dbraw/zinc/99/96/59/384999659.db2.gz AYOHJZNDGIPWIC-LBPRGKRZSA-N 1 0 246.354 2.203 10 0 BEAERO CC[C@@H](C)[N@H+](CCO)C[C@H]1Cc2ccccc2O1 ZINC000377165823 385001996 /nfs/dbraw/zinc/00/19/96/385001996.db2.gz RUPBLCFBWNWDQA-TZMCWYRMSA-N 1 0 249.354 2.083 10 0 BEAERO CC(C)C1([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000339515626 385010504 /nfs/dbraw/zinc/01/05/04/385010504.db2.gz YQVUKYZZVHHFBO-MRVPVSSYSA-N 1 0 225.254 2.078 10 0 BEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339513770 385010590 /nfs/dbraw/zinc/01/05/90/385010590.db2.gz VQUVZDXHZVMHJJ-NWDGAFQWSA-N 1 0 240.391 2.458 10 0 BEAERO CCC1(O)CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000644613424 385013666 /nfs/dbraw/zinc/01/36/66/385013666.db2.gz JQCJBCWYCUVFLX-MBHSVXNSSA-N 1 0 243.391 2.067 10 0 BEAERO CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCSC1 ZINC000128242392 385015438 /nfs/dbraw/zinc/01/54/38/385015438.db2.gz IUENKTVUGKKMIU-LBPRGKRZSA-N 1 0 230.421 2.202 10 0 BEAERO [NH3+]Cc1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC000059637519 385052289 /nfs/dbraw/zinc/05/22/89/385052289.db2.gz GPVUUKQSRJTLIV-CYBMUJFWSA-N 1 0 231.299 2.194 10 0 BEAERO CC[C@](C)(O)C[NH+]1CCC2(CCOCC2)CC1 ZINC000336316919 385028657 /nfs/dbraw/zinc/02/86/57/385028657.db2.gz GUMFUHMPQMLFDC-ZDUSSCGKSA-N 1 0 241.375 2.040 10 0 BEAERO [NH3+]C[C@@H](F)Cc1ccc(Br)s1 ZINC000156352919 385030568 /nfs/dbraw/zinc/03/05/68/385030568.db2.gz SWEDYRWCGKVYCN-YFKPBYRVSA-N 1 0 238.125 2.350 10 0 BEAERO C[N@H+](CCNc1ncnc2ccccc21)C1CC1 ZINC000058938168 385036103 /nfs/dbraw/zinc/03/61/03/385036103.db2.gz UINICOISZGHQHS-UHFFFAOYSA-N 1 0 242.326 2.136 10 0 BEAERO FC(F)n1ccnc1C[NH2+][C@@H]1CCCSC1 ZINC000129232008 385123625 /nfs/dbraw/zinc/12/36/25/385123625.db2.gz YSKGVWYRVQRARS-MRVPVSSYSA-N 1 0 247.314 2.263 10 0 BEAERO CCc1nnc(C[N@@H+](CC)C[C@@H](C)CC)n1C ZINC000177852167 385126076 /nfs/dbraw/zinc/12/60/76/385126076.db2.gz MAYBTIGNYNZYQR-NSHDSACASA-N 1 0 238.379 2.246 10 0 BEAERO Cc1ccc([C@H]([NH3+])C2CCOCC2)s1 ZINC000061671425 385129615 /nfs/dbraw/zinc/12/96/15/385129615.db2.gz PPJLYNZEHLCBTF-LLVKDONJSA-N 1 0 211.330 2.483 10 0 BEAERO C[C@@H]1[C@H](C)SCC[N@@H+]1C1CCC(=O)CC1 ZINC000157263703 385130209 /nfs/dbraw/zinc/13/02/09/385130209.db2.gz VWCZOFRGTBOMHX-ZJUUUORDSA-N 1 0 227.373 2.324 10 0 BEAERO Cc1ccc(Oc2ccnc(C(N)=[NH2+])c2)cc1 ZINC000061814521 385139333 /nfs/dbraw/zinc/13/93/33/385139333.db2.gz NNNHKULRMLQTHH-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000119383366 385091622 /nfs/dbraw/zinc/09/16/22/385091622.db2.gz IRPNONPVTFAPIH-ONGXEEELSA-N 1 0 228.361 2.263 10 0 BEAERO C/C=C\[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000062722347 385183667 /nfs/dbraw/zinc/18/36/67/385183667.db2.gz UOCYGISMICKYAI-QMAVJUDZSA-N 1 0 233.311 2.467 10 0 BEAERO Cc1cncc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000189890334 385194897 /nfs/dbraw/zinc/19/48/97/385194897.db2.gz KSXBVCJWKIZJLA-DZGCQCFKSA-N 1 0 245.370 2.059 10 0 BEAERO C(C1CC1)[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000119748090 385197420 /nfs/dbraw/zinc/19/74/20/385197420.db2.gz WRYOGNODVYZBIM-OKILXGFUSA-N 1 0 239.359 2.056 10 0 BEAERO Fc1c(Cl)cccc1CNC[C@@H]1CC[NH2+]C1 ZINC000398343756 385198974 /nfs/dbraw/zinc/19/89/74/385198974.db2.gz HZPAEURVHXLYNX-SECBINFHSA-N 1 0 242.725 2.178 10 0 BEAERO CCCCc1ccc(C(=O)NC[C@H](C)[NH2+]C)cc1 ZINC000647032834 385167900 /nfs/dbraw/zinc/16/79/00/385167900.db2.gz CJYLFEASNRUJLP-LBPRGKRZSA-N 1 0 248.370 2.367 10 0 BEAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000109544651 385173919 /nfs/dbraw/zinc/17/39/19/385173919.db2.gz PPMKRSBXRSABQF-GXTWGEPZSA-N 1 0 249.354 2.395 10 0 BEAERO CCOC[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000044688729 385217867 /nfs/dbraw/zinc/21/78/67/385217867.db2.gz WIMVCRJRCHVJAW-GHMZBOCLSA-N 1 0 208.305 2.157 10 0 BEAERO CCOC[C@H](C)[NH2+]Cc1cnc(CC)s1 ZINC000044691854 385218481 /nfs/dbraw/zinc/21/84/81/385218481.db2.gz CQQLJETUICGPLN-VIFPVBQESA-N 1 0 228.361 2.220 10 0 BEAERO [NH3+]C[C@]1(c2ccccc2)C[C@H]1C(F)(F)F ZINC000238586183 385256494 /nfs/dbraw/zinc/25/64/94/385256494.db2.gz GGIGCBFURJWXDF-ZJUUUORDSA-N 1 0 215.218 2.465 10 0 BEAERO [NH3+][C@H](C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000238567263 385255492 /nfs/dbraw/zinc/25/54/92/385255492.db2.gz CUGOMQWOHYSPHT-JTQLQIEISA-N 1 0 209.676 2.260 10 0 BEAERO Cc1ccc(CN[C@H]2C[N@H+](C(C)C)C[C@@H]2C)o1 ZINC000154079784 385302501 /nfs/dbraw/zinc/30/25/01/385302501.db2.gz VZBLLNPKQPHVSA-FZMZJTMJSA-N 1 0 236.359 2.406 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2(C)CC2)C1(C)C ZINC000308937921 385305470 /nfs/dbraw/zinc/30/54/70/385305470.db2.gz LJBUKMOZKCWDGO-GARJFASQSA-N 1 0 211.349 2.436 10 0 BEAERO [NH3+]Cc1ccc(F)c(-c2cccnc2)c1 ZINC000038069892 385312833 /nfs/dbraw/zinc/31/28/33/385312833.db2.gz SEJQULAYTOCHLQ-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO CC[C@H]([NH2+]CCn1cccn1)C(C)(C)C ZINC000308967230 385318884 /nfs/dbraw/zinc/31/88/84/385318884.db2.gz WPWITCLAZNHYBD-NSHDSACASA-N 1 0 209.337 2.297 10 0 BEAERO CCC[C@H](C(=O)Nc1ccncc1C)[NH+](C)C ZINC000153519380 385261983 /nfs/dbraw/zinc/26/19/83/385261983.db2.gz ZJMZMYKMDFSWII-GFCCVEGCSA-N 1 0 235.331 2.059 10 0 BEAERO CC[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@H]1O ZINC000346959902 385267609 /nfs/dbraw/zinc/26/76/09/385267609.db2.gz CSDDRYUWDXLVQG-UXIGCNINSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@H]([NH2+]CC1OCCO1)c1cccc(Cl)c1 ZINC000272301453 385278840 /nfs/dbraw/zinc/27/88/40/385278840.db2.gz UPVSUFJBBDCFFR-VIFPVBQESA-N 1 0 241.718 2.364 10 0 BEAERO [NH3+]Cc1cc2ccccc2nc1Br ZINC000034457959 385282372 /nfs/dbraw/zinc/28/23/72/385282372.db2.gz RUNSWKDQMKHOPR-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000130777850 385284207 /nfs/dbraw/zinc/28/42/07/385284207.db2.gz XIUZNPNJSJYXDE-BXKDBHETSA-N 1 0 237.299 2.344 10 0 BEAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCO)o1 ZINC000177814214 385287223 /nfs/dbraw/zinc/28/72/23/385287223.db2.gz RXQHAKKXSYAKDR-LLVKDONJSA-N 1 0 209.289 2.107 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(-n2ccnc2)c(F)c1 ZINC000034663902 385289638 /nfs/dbraw/zinc/28/96/38/385289638.db2.gz OLTBMNIDDCGCAV-VIFPVBQESA-N 1 0 219.263 2.292 10 0 BEAERO Cc1ccc(CN[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)o1 ZINC000154079667 385301697 /nfs/dbraw/zinc/30/16/97/385301697.db2.gz VZBLLNPKQPHVSA-SMDDNHRTSA-N 1 0 236.359 2.406 10 0 BEAERO C[C@@H](Cc1ccccc1)[NH+]1CCC(O)CC1 ZINC000409424437 385332237 /nfs/dbraw/zinc/33/22/37/385332237.db2.gz VBQDQYAYUYEVHJ-LBPRGKRZSA-N 1 0 219.328 2.074 10 0 BEAERO C[C@H](Cc1ccccc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000409424594 385333677 /nfs/dbraw/zinc/33/36/77/385333677.db2.gz WRRGXIPNKICCCZ-HIFRSBDPSA-N 1 0 233.355 2.322 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)C[C@@H](C)CC ZINC000193245227 385389007 /nfs/dbraw/zinc/38/90/07/385389007.db2.gz ZVCOFQIPKJZBQL-QWHCGFSZSA-N 1 0 231.380 2.142 10 0 BEAERO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](C)O)o1 ZINC000192727311 385368597 /nfs/dbraw/zinc/36/85/97/385368597.db2.gz YVXKRWCRQJNZDW-PWSUYJOCSA-N 1 0 223.316 2.496 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)C1CCCC1 ZINC000309016959 385371488 /nfs/dbraw/zinc/37/14/88/385371488.db2.gz UVIDRJODWJQYET-XYJRDEOASA-N 1 0 209.333 2.047 10 0 BEAERO CCC[C@H](C(=O)N[C@@H](C)C1CCCC1)[NH+](C)C ZINC000179326778 385373985 /nfs/dbraw/zinc/37/39/85/385373985.db2.gz GRAHJBKLJOGPOR-WCQYABFASA-N 1 0 240.391 2.412 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1ccc(Br)c(F)c1 ZINC000161614030 385379852 /nfs/dbraw/zinc/37/98/52/385379852.db2.gz XEDSGSRYSSNECI-MUWHJKNJSA-N 1 0 230.080 2.403 10 0 BEAERO CN(C)[C@@H](C[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000309034182 385380512 /nfs/dbraw/zinc/38/05/12/385380512.db2.gz HBEKXRABYDSUKS-NWDGAFQWSA-N 1 0 210.365 2.105 10 0 BEAERO CCC1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000644017826 385382326 /nfs/dbraw/zinc/38/23/26/385382326.db2.gz WERCCGUTPCTYRF-HTAVTVPLSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)[C@](C)(O)C[NH+]1CCC2(CC2)CC1 ZINC000364357808 385382370 /nfs/dbraw/zinc/38/23/70/385382370.db2.gz FCOBMHHUBXZTFN-GFCCVEGCSA-N 1 0 211.349 2.269 10 0 BEAERO C[NH2+][C@H]1CCN(c2nccc3ccccc32)C1 ZINC000168737769 385384785 /nfs/dbraw/zinc/38/47/85/385384785.db2.gz MFBBOFJCLKVPNT-LBPRGKRZSA-N 1 0 227.311 2.033 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N)c2)o1 ZINC000193550845 385401303 /nfs/dbraw/zinc/40/13/03/385401303.db2.gz QIHQMECTDLONFG-JTQLQIEISA-N 1 0 231.299 2.416 10 0 BEAERO C([NH2+]C1CCCC1)[C@@H]1CC12CCOCC2 ZINC000309075743 385405371 /nfs/dbraw/zinc/40/53/71/385405371.db2.gz KGIZGZVBLRJKAB-NSHDSACASA-N 1 0 209.333 2.335 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309108459 385426021 /nfs/dbraw/zinc/42/60/21/385426021.db2.gz IXFZPEXJKDAWKA-XYJRDEOASA-N 1 0 209.333 2.332 10 0 BEAERO CCOc1cc2c(cc1[C@@H]1C[C@H]1[NH3+])O[C@@H](C)C2 ZINC000169616594 385414733 /nfs/dbraw/zinc/41/47/33/385414733.db2.gz WSQZNUSPGAJJGI-PTOFAABTSA-N 1 0 233.311 2.223 10 0 BEAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccco1 ZINC000020206753 385441207 /nfs/dbraw/zinc/44/12/07/385441207.db2.gz FIHOEBROSDWAIR-NHCYSSNCSA-N 1 0 209.289 2.498 10 0 BEAERO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170863373 385451038 /nfs/dbraw/zinc/45/10/38/385451038.db2.gz QWIKNIKSVPEEAK-CQSZACIVSA-N 1 0 246.354 2.080 10 0 BEAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000179059678 385437887 /nfs/dbraw/zinc/43/78/87/385437887.db2.gz FZDGGPYZWWRCAO-SMDDNHRTSA-N 1 0 246.354 2.349 10 0 BEAERO c1ccc2nnc([C@H]3CCCC[NH2+]3)cc2c1 ZINC000259465822 385469136 /nfs/dbraw/zinc/46/91/36/385469136.db2.gz LPAJEIQZPYFWDL-GFCCVEGCSA-N 1 0 213.284 2.444 10 0 BEAERO NC(=[NH2+])Cc1cccc(F)c1Br ZINC000156842658 385471505 /nfs/dbraw/zinc/47/15/05/385471505.db2.gz IZAJAIKJFCNKNQ-UHFFFAOYSA-N 1 0 231.068 2.067 10 0 BEAERO CSCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000171635745 385502938 /nfs/dbraw/zinc/50/29/38/385502938.db2.gz BLVDYTLJEBPLTA-GFCCVEGCSA-N 1 0 239.388 2.191 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cnccn1 ZINC000378774020 385503950 /nfs/dbraw/zinc/50/39/50/385503950.db2.gz GXJPJHBFVICMQA-NNYUYHANSA-N 1 0 217.316 2.316 10 0 BEAERO c1ncn(C[C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)n1 ZINC000171746509 385513962 /nfs/dbraw/zinc/51/39/62/385513962.db2.gz MSHIHNRAEQTSOW-KGLIPLIRSA-N 1 0 246.358 2.099 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000309325477 385530193 /nfs/dbraw/zinc/53/01/93/385530193.db2.gz GKFCWHAZKQYSQE-JTQLQIEISA-N 1 0 241.404 2.339 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccsc1 ZINC000180606387 385532891 /nfs/dbraw/zinc/53/28/91/385532891.db2.gz MSOAHCLTHBKMPR-MWLCHTKSSA-N 1 0 248.355 2.005 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1cccc(Br)c1 ZINC000036779459 385534322 /nfs/dbraw/zinc/53/43/22/385534322.db2.gz INXCPIBQZHVOJV-ZJUUUORDSA-N 1 0 244.132 2.220 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccccc1Br ZINC000036779359 385534978 /nfs/dbraw/zinc/53/49/78/385534978.db2.gz GMEAVCSSYXSQLK-ZJUUUORDSA-N 1 0 244.132 2.220 10 0 BEAERO CCC[N@H+](C[C@@H]1CCCO1)C[C@H]1CCCCO1 ZINC000106866781 385535560 /nfs/dbraw/zinc/53/55/60/385535560.db2.gz JOQCNHLPCTXWJB-KGLIPLIRSA-N 1 0 241.375 2.447 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccc1 ZINC000282235619 385536146 /nfs/dbraw/zinc/53/61/46/385536146.db2.gz FTQJENJCTVGEOK-DMDPSCGWSA-N 1 0 232.327 2.004 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccccc1 ZINC000282235622 385536181 /nfs/dbraw/zinc/53/61/81/385536181.db2.gz FTQJENJCTVGEOK-GMXVVIOVSA-N 1 0 232.327 2.004 10 0 BEAERO Cn1cc([C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cn1 ZINC000172057702 385544440 /nfs/dbraw/zinc/54/44/40/385544440.db2.gz WSRVHQJUPLIXGZ-JSGCOSHPSA-N 1 0 231.343 2.318 10 0 BEAERO C[NH+]1CCC(c2ccccc2CCO)CC1 ZINC000258033708 385523865 /nfs/dbraw/zinc/52/38/65/385523865.db2.gz BBERMEUUUHSACV-UHFFFAOYSA-N 1 0 219.328 2.031 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1cn2c(n1)CCCC2 ZINC000309314327 385527355 /nfs/dbraw/zinc/52/73/55/385527355.db2.gz CQAVXTTXKCERDM-NSHDSACASA-N 1 0 221.348 2.354 10 0 BEAERO OC[C@H]1C[NH2+][C@H](c2ccccc2C(F)(F)F)C1 ZINC000258061291 385528562 /nfs/dbraw/zinc/52/85/62/385528562.db2.gz UDPADZMISZGNAA-KCJUWKMLSA-N 1 0 245.244 2.348 10 0 BEAERO COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CCF ZINC000309414990 385575012 /nfs/dbraw/zinc/57/50/12/385575012.db2.gz CLPBUAYLJOBTBS-GHMZBOCLSA-N 1 0 231.311 2.058 10 0 BEAERO CCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107524666 385569913 /nfs/dbraw/zinc/56/99/13/385569913.db2.gz WJOAYBXMLFCMLH-ZDUSSCGKSA-N 1 0 238.375 2.263 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000037164331 385596933 /nfs/dbraw/zinc/59/69/33/385596933.db2.gz PLQDWJFDJVJENU-NWDGAFQWSA-N 1 0 241.281 2.358 10 0 BEAERO CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037164406 385597616 /nfs/dbraw/zinc/59/76/16/385597616.db2.gz MYKAWWZQBBHUEK-UONOGXRCSA-N 1 0 249.354 2.478 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC000037164531 385597680 /nfs/dbraw/zinc/59/76/80/385597680.db2.gz XBOPWRVNKPSTHH-ZJUUUORDSA-N 1 0 241.281 2.358 10 0 BEAERO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000037164373 385597894 /nfs/dbraw/zinc/59/78/94/385597894.db2.gz WSKDJMPTGAXBLN-CHWSQXEVSA-N 1 0 235.327 2.088 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000259558264 385582424 /nfs/dbraw/zinc/58/24/24/385582424.db2.gz SBZCNNFGKHCJAB-CQSZACIVSA-N 1 0 219.328 2.031 10 0 BEAERO c1ccc2nnc([C@H]3CCC[NH2+]C3)cc2c1 ZINC000259558299 385582624 /nfs/dbraw/zinc/58/26/24/385582624.db2.gz SCXXTFVDWACSBM-NSHDSACASA-N 1 0 213.284 2.097 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000259558261 385582778 /nfs/dbraw/zinc/58/27/78/385582778.db2.gz SBZCNNFGKHCJAB-AWEZNQCLSA-N 1 0 219.328 2.031 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cn(C(C)C)nn1 ZINC000309443332 385584415 /nfs/dbraw/zinc/58/44/15/385584415.db2.gz ZZTMXANBMZXFAP-JQWIXIFHSA-N 1 0 222.336 2.137 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cccnn2)C1 ZINC000259600996 385588682 /nfs/dbraw/zinc/58/86/82/385588682.db2.gz ZRRWPKOMVWHZNX-LLVKDONJSA-N 1 0 205.305 2.064 10 0 BEAERO CC(C)(C)[C@H]1CCc2n[nH]c(C[NH3+])c2C1 ZINC000082640513 385622563 /nfs/dbraw/zinc/62/25/63/385622563.db2.gz GBIIOSGZXGKWQN-QMMMGPOBSA-N 1 0 207.321 2.019 10 0 BEAERO CCOC(=O)[C@@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000259962433 385627716 /nfs/dbraw/zinc/62/77/16/385627716.db2.gz FMVBXKSXUHKWJG-LLVKDONJSA-N 1 0 227.348 2.450 10 0 BEAERO Cc1sccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000293552772 385640514 /nfs/dbraw/zinc/64/05/14/385640514.db2.gz LJJPCEOJPAFKHF-RYUDHWBXSA-N 1 0 225.357 2.307 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)o1 ZINC000309504492 385642127 /nfs/dbraw/zinc/64/21/27/385642127.db2.gz VOBLDXDPGWCTPR-GHMZBOCLSA-N 1 0 224.304 2.060 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000122573097 385645397 /nfs/dbraw/zinc/64/53/97/385645397.db2.gz PHYAQJACZFOLKE-UTUOFQBUSA-N 1 0 229.389 2.143 10 0 BEAERO [NH3+]CCCn1cc(-c2ccc3c(c2)CCC3)cn1 ZINC000310949227 385684240 /nfs/dbraw/zinc/68/42/40/385684240.db2.gz YNYIUQKOXYUFED-UHFFFAOYSA-N 1 0 241.338 2.388 10 0 BEAERO COC(=O)[C@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000260087742 385667393 /nfs/dbraw/zinc/66/73/93/385667393.db2.gz NUVJXJVXWVBKGB-JTQLQIEISA-N 1 0 213.321 2.060 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000309611183 385740110 /nfs/dbraw/zinc/74/01/10/385740110.db2.gz AGLSQLBWXGSCFB-NEPJUHHUSA-N 1 0 221.348 2.081 10 0 BEAERO CSC1(C[NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000336698927 385752853 /nfs/dbraw/zinc/75/28/53/385752853.db2.gz OSHOHHLYXUQQAR-GHMZBOCLSA-N 1 0 229.389 2.023 10 0 BEAERO c1ncc(C[NH2+]C[C@H]2CC23CCOCC3)s1 ZINC000309630765 385759302 /nfs/dbraw/zinc/75/93/02/385759302.db2.gz RDMNIGLQIOENQJ-SNVBAGLBSA-N 1 0 238.356 2.049 10 0 BEAERO c1coc(C[NH2+]C[C@@H]2CC23CCOCC3)c1 ZINC000309637672 385761357 /nfs/dbraw/zinc/76/13/57/385761357.db2.gz SZUTUELUUJITNM-NSHDSACASA-N 1 0 221.300 2.186 10 0 BEAERO Cc1nnc2n1CCC[C@@H]2[NH2+][C@@H](C)C(C)C ZINC000309644670 385767364 /nfs/dbraw/zinc/76/73/64/385767364.db2.gz VPAHFVIJAALQRK-ONGXEEELSA-N 1 0 222.336 2.056 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)[C@H]1C ZINC000309644211 385768107 /nfs/dbraw/zinc/76/81/07/385768107.db2.gz VOGPTNNRKMASRM-FDFVQJQPSA-N 1 0 223.360 2.293 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336654281 385723705 /nfs/dbraw/zinc/72/37/05/385723705.db2.gz MSURBXXRXMHUQJ-XWLWVQCSSA-N 1 0 215.362 2.038 10 0 BEAERO C[S@](=O)C1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000336714298 385809624 /nfs/dbraw/zinc/80/96/24/385809624.db2.gz UXDWKQWYLRCREV-UVWXRNBGSA-N 1 0 247.379 2.015 10 0 BEAERO Cc1cnn(CCNc2cc[nH+]c(C)c2)c1 ZINC000231816263 385821497 /nfs/dbraw/zinc/82/14/97/385821497.db2.gz SVAITZSNSXQQPB-UHFFFAOYSA-N 1 0 216.288 2.007 10 0 BEAERO CC(C)(C)Oc1ccc(Cl)c(C[NH3+])n1 ZINC000051527135 385841308 /nfs/dbraw/zinc/84/13/08/385841308.db2.gz ILTMYGCBCOYUKD-UHFFFAOYSA-N 1 0 214.696 2.371 10 0 BEAERO CC(C)(O)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000308764052 385846148 /nfs/dbraw/zinc/84/61/48/385846148.db2.gz CYESQRGDKOKEQZ-UHFFFAOYSA-N 1 0 211.349 2.483 10 0 BEAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000112731886 385885340 /nfs/dbraw/zinc/88/53/40/385885340.db2.gz BDDUYFMGPXEMRB-LBPRGKRZSA-N 1 0 243.391 2.284 10 0 BEAERO CCOP(=O)(OCC)[C@@]1(C)CCC[NH2+]1 ZINC000022057371 385890769 /nfs/dbraw/zinc/89/07/69/385890769.db2.gz UJLWZCRCTUPTKJ-VIFPVBQESA-N 1 0 221.237 2.352 10 0 in-vitro BEAERO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cncs1 ZINC000123589483 385891565 /nfs/dbraw/zinc/89/15/65/385891565.db2.gz TUXOTGHOWATMMJ-UWVGGRQHSA-N 1 0 228.361 2.201 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000336726229 385892412 /nfs/dbraw/zinc/89/24/12/385892412.db2.gz GCSASQZERKLLCC-UPJWGTAASA-N 1 0 243.416 2.413 10 0 BEAERO C[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336767871 385929223 /nfs/dbraw/zinc/92/92/23/385929223.db2.gz SVCKJYDYRRNWOB-QJPTWQEYSA-N 1 0 217.328 2.265 10 0 BEAERO CN[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414964766 385910091 /nfs/dbraw/zinc/91/00/91/385910091.db2.gz CDSCXATVACSGQP-KGYLQXTDSA-N 1 0 210.365 2.153 10 0 BEAERO Fc1ccc(F)c(CO[C@H]2CCC[NH2+]C2)c1 ZINC000051787509 385920108 /nfs/dbraw/zinc/92/01/08/385920108.db2.gz RFHZCEBNVBRQGZ-NSHDSACASA-N 1 0 227.254 2.233 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCC1(C)C)[C@@H](O)C(F)(F)F ZINC000336741400 385865049 /nfs/dbraw/zinc/86/50/49/385865049.db2.gz QZENYUKTXDKGNP-DJLDLDEBSA-N 1 0 239.281 2.466 10 0 BEAERO Cc1ccsc1C[NH2+][C@H](C)[C@H](C)CO ZINC000123265940 385866061 /nfs/dbraw/zinc/86/60/61/385866061.db2.gz KDDVWIRBIPCNMF-NXEZZACHSA-N 1 0 213.346 2.163 10 0 BEAERO Cc1ccsc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000123265679 385866139 /nfs/dbraw/zinc/86/61/39/385866139.db2.gz KDDVWIRBIPCNMF-ZJUUUORDSA-N 1 0 213.346 2.163 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](CC1CCC1)CC2 ZINC000088023392 385976970 /nfs/dbraw/zinc/97/69/70/385976970.db2.gz GCXBFFXXMWWSRD-UONOGXRCSA-N 1 0 223.360 2.414 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000336748840 385988185 /nfs/dbraw/zinc/98/81/85/385988185.db2.gz CZZJCCFOSGEFOD-RYUDHWBXSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@H]1CC[C@H](O)CN1Cc1ccc(Cl)cn1 ZINC000643254821 385993500 /nfs/dbraw/zinc/99/35/00/385993500.db2.gz TWVCOKSATYEIOS-CABZTGNLSA-N 1 0 240.734 2.080 10 0 BEAERO NC1=[NH+]CCN1c1c(Cl)cccc1Cl ZINC000034744055 385964801 /nfs/dbraw/zinc/96/48/01/385964801.db2.gz LNBABTNBIHNNTN-UHFFFAOYSA-N 1 0 230.098 2.128 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)N(C)C ZINC000336770232 386010077 /nfs/dbraw/zinc/01/00/77/386010077.db2.gz VKWFQQKELARCOF-XQQFMLRXSA-N 1 0 212.381 2.495 10 0 BEAERO CCOC(=O)c1ccccc1[C@H]1CCC[NH2+]C1 ZINC000261276134 386015930 /nfs/dbraw/zinc/01/59/30/386015930.db2.gz MVGKBORJABJRTK-NSHDSACASA-N 1 0 233.311 2.330 10 0 BEAERO C/C=C/[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000575562941 386032027 /nfs/dbraw/zinc/03/20/27/386032027.db2.gz GMOAOUXZVICNMQ-UFUPEUMYSA-N 1 0 227.105 2.420 10 0 BEAERO CCN(C)c1ccc(C[NH2+][C@H]2C[C@@H]2C)cn1 ZINC000190952009 386106273 /nfs/dbraw/zinc/10/62/73/386106273.db2.gz UMKVQTLSNVCRRL-JQWIXIFHSA-N 1 0 219.332 2.036 10 0 BEAERO C[C@@H](C[NH3+])c1nc(C(F)(F)F)cs1 ZINC000054158395 386112622 /nfs/dbraw/zinc/11/26/22/386112622.db2.gz HDHFSFRTLFUEBK-BYPYZUCNSA-N 1 0 210.224 2.224 10 0 BEAERO Cc1ncsc1[C@@]1([NH3+])CCS[C@@H]1C ZINC000575565589 386073176 /nfs/dbraw/zinc/07/31/76/386073176.db2.gz ALCZUXLIMQFQGN-VXNVDRBHSA-N 1 0 214.359 2.131 10 0 BEAERO CCCc1nsc(N[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000129535637 386082741 /nfs/dbraw/zinc/08/27/41/386082741.db2.gz BKKNSTXOFXQFNT-RKDXNWHRSA-N 1 0 240.376 2.043 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055086729 386154069 /nfs/dbraw/zinc/15/40/69/386154069.db2.gz NORRXWXAWKWFBO-NWDGAFQWSA-N 1 0 226.364 2.153 10 0 BEAERO CCN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000055087311 386154178 /nfs/dbraw/zinc/15/41/78/386154178.db2.gz ZSFHPJMWLGXJLJ-RYUDHWBXSA-N 1 0 238.375 2.295 10 0 BEAERO CCN(CC(C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086907 386154433 /nfs/dbraw/zinc/15/44/33/386154433.db2.gz HRNOQJHRVRVIME-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO CN(CC(C)(C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090518 386155173 /nfs/dbraw/zinc/15/51/73/386155173.db2.gz IHZJVBRKEJLBHJ-QWRGUYRKSA-N 1 0 226.364 2.008 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000055086861 386155216 /nfs/dbraw/zinc/15/52/16/386155216.db2.gz XZINLITVQCBAGZ-NEPJUHHUSA-N 1 0 238.375 2.343 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086725 386156097 /nfs/dbraw/zinc/15/60/97/386156097.db2.gz NORRXWXAWKWFBO-RYUDHWBXSA-N 1 0 226.364 2.153 10 0 BEAERO C[C@@H](O)C1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000235371887 386160433 /nfs/dbraw/zinc/16/04/33/386160433.db2.gz UZFFZCAGLBIIJQ-IUODEOHRSA-N 1 0 245.366 2.419 10 0 BEAERO CNc1ccccc1[C@H]1COCCC[N@@H+]1C ZINC000616648405 386167467 /nfs/dbraw/zinc/16/74/67/386167467.db2.gz UVLANEYQMLPOMJ-CYBMUJFWSA-N 1 0 220.316 2.122 10 0 BEAERO C[C@H](O)C1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000235579273 386177249 /nfs/dbraw/zinc/17/72/49/386177249.db2.gz UZFFZCAGLBIIJQ-SWLSCSKDSA-N 1 0 245.366 2.419 10 0 BEAERO Cc1nc(C2([NH3+])CCSCC2)cs1 ZINC000575576114 386181326 /nfs/dbraw/zinc/18/13/26/386181326.db2.gz KSAUIZDTXLAKEO-UHFFFAOYSA-N 1 0 214.359 2.133 10 0 BEAERO C[C@]([NH3+])(CO)c1ccc(Cl)cc1Cl ZINC000038124428 386124684 /nfs/dbraw/zinc/12/46/84/386124684.db2.gz ZCLUUTUQVDJMNN-VIFPVBQESA-N 1 0 220.099 2.160 10 0 BEAERO Nc1[nH+]c2cc(Cl)ccc2n1CCF ZINC000307182381 386132055 /nfs/dbraw/zinc/13/20/55/386132055.db2.gz UVNBTARJCJQVOV-UHFFFAOYSA-N 1 0 213.643 2.241 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000130778093 386202723 /nfs/dbraw/zinc/20/27/23/386202723.db2.gz XIUZNPNJSJYXDE-JOYOIKCWSA-N 1 0 237.299 2.344 10 0 BEAERO C[C@H](CC[NH2+]C[C@@H]1CC=CCC1)[S@](C)=O ZINC000125039862 386214245 /nfs/dbraw/zinc/21/42/45/386214245.db2.gz CVDXFXMAGSTTOR-LALPHHSUSA-N 1 0 229.389 2.089 10 0 BEAERO C[C@H](CC[NH2+]CC1CCCCC1)[S@@](C)=O ZINC000125035995 386214646 /nfs/dbraw/zinc/21/46/46/386214646.db2.gz VKISBUVCMVHNNT-ABAIWWIYSA-N 1 0 231.405 2.313 10 0 BEAERO CC[C@H]([NH2+]C[C@H](COC)OC)C(C)(C)C ZINC000309219255 386222464 /nfs/dbraw/zinc/22/24/64/386222464.db2.gz UYZLZRAMCIIOIH-MNOVXSKESA-N 1 0 217.353 2.062 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000131932723 386227428 /nfs/dbraw/zinc/22/74/28/386227428.db2.gz LNRGBKXCHKUDJD-KRTXAFLBSA-N 1 0 245.244 2.371 10 0 BEAERO COC[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1 ZINC000226013712 386233122 /nfs/dbraw/zinc/23/31/22/386233122.db2.gz DNXIQCUZHLJYOZ-GJZGRUSLSA-N 1 0 248.370 2.058 10 0 BEAERO C[C@@H]([NH3+])/C=C/c1ccncc1Br ZINC000575582673 386250011 /nfs/dbraw/zinc/25/00/11/386250011.db2.gz GARBFZDVPMHNLQ-TYWZFMJISA-N 1 0 227.105 2.205 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCC2CCCC2)C1 ZINC000401896843 386256119 /nfs/dbraw/zinc/25/61/19/386256119.db2.gz KTTAONDCXOXXNF-DGCLKSJQSA-N 1 0 211.349 2.269 10 0 BEAERO c1ccc(CN2CC[NH+](C34CC(C3)C4)CC2)cc1 ZINC000604977514 386194424 /nfs/dbraw/zinc/19/44/24/386194424.db2.gz SHUCDXXXFCPPEN-UHFFFAOYSA-N 1 0 242.366 2.357 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000164749985 386284081 /nfs/dbraw/zinc/28/40/81/386284081.db2.gz CVWYNKGSKLAJEI-IJLUTSLNSA-N 1 0 234.347 2.281 10 0 BEAERO CCN1C[C@@H]([NH2+]CC2CCC(C)CC2)CC1=O ZINC000391462034 386317265 /nfs/dbraw/zinc/31/72/65/386317265.db2.gz ITDONYWKVHRQPK-BPCQOVAHSA-N 1 0 238.375 2.023 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366344858 386378151 /nfs/dbraw/zinc/37/81/51/386378151.db2.gz GHBKJDLETQDCFW-DYEKYZERSA-N 1 0 238.375 2.295 10 0 BEAERO O=C(CC[C@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000134478929 386422021 /nfs/dbraw/zinc/42/20/21/386422021.db2.gz OELVRMAUBKLGHN-ZDUSSCGKSA-N 1 0 238.375 2.073 10 0 BEAERO CC(C)=CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000366407967 386467628 /nfs/dbraw/zinc/46/76/28/386467628.db2.gz KUKKGNZYIDGMEF-UHFFFAOYSA-N 1 0 244.338 2.391 10 0 BEAERO CC(C)[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000135198673 386490459 /nfs/dbraw/zinc/49/04/59/386490459.db2.gz CSMDCCJRRNCAAM-LBPRGKRZSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000135283076 386499416 /nfs/dbraw/zinc/49/94/16/386499416.db2.gz JOXLXCZFBIDELT-QWHCGFSZSA-N 1 0 238.375 2.310 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@](C)(CC)C1 ZINC000399372883 386530593 /nfs/dbraw/zinc/53/05/93/386530593.db2.gz MVYPUEGDTQKVDJ-ZIAGYGMSSA-N 1 0 243.391 2.286 10 0 BEAERO Cc1cc(C[N@H+]2C[C@H](O)CC[C@@H]2C)cs1 ZINC000399209649 386454584 /nfs/dbraw/zinc/45/45/84/386454584.db2.gz QFOLGVOUNZXTFN-JOYOIKCWSA-N 1 0 225.357 2.402 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000300386308 386592940 /nfs/dbraw/zinc/59/29/40/386592940.db2.gz OJDFWHDMWOBZDV-KGLIPLIRSA-N 1 0 219.328 2.457 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000336644566 386593739 /nfs/dbraw/zinc/59/37/39/386593739.db2.gz CHOWTIBLUQBHTM-BXUZGUMPSA-N 1 0 222.376 2.391 10 0 BEAERO CSCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000187782122 386594221 /nfs/dbraw/zinc/59/42/21/386594221.db2.gz KCOHUJGHGBJIHU-VXGBXAGGSA-N 1 0 239.388 2.319 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@](C)(CC)C1 ZINC000399372882 386531259 /nfs/dbraw/zinc/53/12/59/386531259.db2.gz MVYPUEGDTQKVDJ-UONOGXRCSA-N 1 0 243.391 2.286 10 0 BEAERO C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1CCF)C1CC1 ZINC000336780878 386566388 /nfs/dbraw/zinc/56/63/88/386566388.db2.gz SJCVCVCVUONBJQ-UHTWSYAYSA-N 1 0 229.339 2.265 10 0 BEAERO C[C@@]1(C(=O)NCCC2CCCC2)CCCC[NH2+]1 ZINC000136167304 386570476 /nfs/dbraw/zinc/57/04/76/386570476.db2.gz WNJWQMFTQIJEME-AWEZNQCLSA-N 1 0 238.375 2.215 10 0 BEAERO C[C@H]([NH3+])C[C@H](C)Nc1nc2ccccc2[nH]1 ZINC000320571681 386620257 /nfs/dbraw/zinc/62/02/57/386620257.db2.gz SKWIDEKRINGKPB-IUCAKERBSA-N 1 0 218.304 2.101 10 0 BEAERO [NH3+][C@H](Cc1ccncc1)c1cccs1 ZINC000053134895 386661124 /nfs/dbraw/zinc/66/11/24/386661124.db2.gz SDUZCWGCCJVTCO-SNVBAGLBSA-N 1 0 204.298 2.386 10 0 BEAERO CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)C(C)(C)C ZINC000336739082 386661184 /nfs/dbraw/zinc/66/11/84/386661184.db2.gz OUFNJEFQEKAPSO-SNVBAGLBSA-N 1 0 224.352 2.070 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccco1 ZINC000246550277 386662013 /nfs/dbraw/zinc/66/20/13/386662013.db2.gz QYIXVJKHHWRSNC-STQMWFEESA-N 1 0 234.343 2.338 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000335523419 386666620 /nfs/dbraw/zinc/66/66/20/386666620.db2.gz JWHFGWFXXVWFLC-OLZOCXBDSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CCn2cncn2)cc1C ZINC000268836402 386669045 /nfs/dbraw/zinc/66/90/45/386669045.db2.gz PLXJVLORPQGCAF-ZDUSSCGKSA-N 1 0 244.342 2.246 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccsc1 ZINC000295141424 386690957 /nfs/dbraw/zinc/69/09/57/386690957.db2.gz ZVOUVHLBJGABPK-KOLCDFICSA-N 1 0 211.330 2.093 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccs1 ZINC000295113404 386691207 /nfs/dbraw/zinc/69/12/07/386691207.db2.gz WKJAITHCKNLPGD-GXSJLCMTSA-N 1 0 211.330 2.093 10 0 BEAERO CC(C)[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000647960728 386731494 /nfs/dbraw/zinc/73/14/94/386731494.db2.gz FBFXKWWJZREYOY-YPMHNXCESA-N 1 0 211.349 2.410 10 0 BEAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1ccccc1 ZINC000122104437 386734066 /nfs/dbraw/zinc/73/40/66/386734066.db2.gz IDGFUSSGRWFZGZ-HNNXBMFYSA-N 1 0 248.370 2.109 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@H](C)C(C)C)cn1 ZINC000336760990 386747617 /nfs/dbraw/zinc/74/76/17/386747617.db2.gz MRRLPVUPSCWTJJ-MNOVXSKESA-N 1 0 207.321 2.480 10 0 BEAERO CSC1([C@@H]2[NH2+][C@H](C)CCS2)CC1 ZINC000307596083 386747822 /nfs/dbraw/zinc/74/78/22/386747822.db2.gz LZJHJVZPLVTSOR-HTQZYQBOSA-N 1 0 203.376 2.323 10 0 BEAERO CC[C@H]([NH2+]CCC(=O)OC)c1ccccc1F ZINC000122481147 386755515 /nfs/dbraw/zinc/75/55/15/386755515.db2.gz ODXHZSDZZVTSJG-LBPRGKRZSA-N 1 0 239.290 2.430 10 0 BEAERO CC(C)(C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000122171198 386743486 /nfs/dbraw/zinc/74/34/86/386743486.db2.gz QTQSGDTYDWQYMR-WDEREUQCSA-N 1 0 226.364 2.056 10 0 BEAERO C[C@@]([NH3+])(c1ccsc1)c1cscn1 ZINC000575453839 386829512 /nfs/dbraw/zinc/82/95/12/386829512.db2.gz IVKNYRNPUYDSDX-SECBINFHSA-N 1 0 210.327 2.427 10 0 BEAERO c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)nc1 ZINC000301409635 386841965 /nfs/dbraw/zinc/84/19/65/386841965.db2.gz JHFRMEQKULZWKH-RYUDHWBXSA-N 1 0 200.285 2.484 10 0 BEAERO c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000301832155 386881223 /nfs/dbraw/zinc/88/12/23/386881223.db2.gz TWLHVYGZBHSPBZ-RTXFEEFZSA-N 1 0 230.311 2.451 10 0 BEAERO Cc1n[nH]cc1C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341476183 386916167 /nfs/dbraw/zinc/91/61/67/386916167.db2.gz FSPFMSCAUARSQE-NXEZZACHSA-N 1 0 237.347 2.011 10 0 BEAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000395111505 386929846 /nfs/dbraw/zinc/92/98/46/386929846.db2.gz HANUCHHVXQZJIS-IIAWOOMASA-N 1 0 245.366 2.419 10 0 BEAERO CC[C@H]([NH2+]CCn1cc(C)cn1)C1CCC1 ZINC000322246883 259702889 /nfs/dbraw/zinc/70/28/89/259702889.db2.gz BRCBCLKQDXNAFZ-ZDUSSCGKSA-N 1 0 221.348 2.360 10 0 BEAERO Cc1cc(C2([NH3+])CCSCC2)sn1 ZINC000575577663 387037528 /nfs/dbraw/zinc/03/75/28/387037528.db2.gz QETTVLBRWQTEMR-UHFFFAOYSA-N 1 0 214.359 2.133 10 0 BEAERO C[C@@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000109079545 387051959 /nfs/dbraw/zinc/05/19/59/387051959.db2.gz LHEUUDJSIGIDCU-KWCYVHTRSA-N 1 0 246.354 2.381 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccncc1Br ZINC000575582757 387061193 /nfs/dbraw/zinc/06/11/93/387061193.db2.gz HFKJRRXBDGQENO-ZQARSLAVSA-N 1 0 241.132 2.295 10 0 BEAERO F[C@H](c1cncs1)C1CC[NH2+]CC1 ZINC000575465906 387062267 /nfs/dbraw/zinc/06/22/67/387062267.db2.gz GZZVTDPUBDPONW-VIFPVBQESA-N 1 0 200.282 2.153 10 0 BEAERO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000117347355 387018763 /nfs/dbraw/zinc/01/87/63/387018763.db2.gz VDPDLYMHCQBCMY-LBPRGKRZSA-N 1 0 240.391 2.412 10 0 BEAERO COC1CC([NH3+])(c2sccc2Cl)C1 ZINC000575455766 387027929 /nfs/dbraw/zinc/02/79/29/387027929.db2.gz YBVUOTVAZZZEBY-UHFFFAOYSA-N 1 0 217.721 2.364 10 0 BEAERO C[NH2+][C@H]1CO[C@H](c2occc2Br)C1 ZINC000575468488 387075285 /nfs/dbraw/zinc/07/52/85/387075285.db2.gz YZEAWUQZKHXASC-SVRRBLITSA-N 1 0 246.104 2.092 10 0 BEAERO [NH3+][C@H](CC(F)F)c1ccc2c(c1)OCO2 ZINC000575436422 387100344 /nfs/dbraw/zinc/10/03/44/387100344.db2.gz AFTPMWPOEHCKGX-SSDOTTSWSA-N 1 0 215.199 2.070 10 0 BEAERO CCC[C@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186496636 387100452 /nfs/dbraw/zinc/10/04/52/387100452.db2.gz XKDSMYGCJITZFM-RYUDHWBXSA-N 1 0 238.375 2.166 10 0 BEAERO [NH3+][C@H]1CC[C@@H]1Cc1ccncc1Br ZINC000575470597 387101683 /nfs/dbraw/zinc/10/16/83/387101683.db2.gz KNHOHOSWQMXGSN-SCZZXKLOSA-N 1 0 241.132 2.124 10 0 BEAERO [NH3+][C@@H](CCF)c1cc(F)cc(F)c1F ZINC000575438187 387104094 /nfs/dbraw/zinc/10/40/94/387104094.db2.gz DTBAAZXWBIEKRL-QMMMGPOBSA-N 1 0 207.170 2.463 10 0 BEAERO CCOc1cc([C@H]([NH3+])CCF)ccc1OC ZINC000575438168 387105646 /nfs/dbraw/zinc/10/56/46/387105646.db2.gz DPMZVGBFOZUTGT-SNVBAGLBSA-N 1 0 227.279 2.453 10 0 BEAERO [NH3+][C@]1(CC=C(Cl)Cl)CCCOC1 ZINC000575471002 387105979 /nfs/dbraw/zinc/10/59/79/387105979.db2.gz YYZYYUMSYNPUDT-QMMMGPOBSA-N 1 0 210.104 2.203 10 0 BEAERO COc1cc([C@@H]([NH3+])CC(F)F)ccc1F ZINC000575437283 387106404 /nfs/dbraw/zinc/10/64/04/387106404.db2.gz CJDFKUIOFPZNEY-QMMMGPOBSA-N 1 0 219.206 2.489 10 0 BEAERO CC(=O)Oc1ccc([C@H]([NH3+])CC(F)F)cc1 ZINC000575437489 387106465 /nfs/dbraw/zinc/10/64/65/387106465.db2.gz HEXLVHWSJNKULT-SNVBAGLBSA-N 1 0 229.226 2.267 10 0 BEAERO CC(C)[C@@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186513900 387107023 /nfs/dbraw/zinc/10/70/23/387107023.db2.gz WTCXUEUOEVZYJJ-VXGBXAGGSA-N 1 0 238.375 2.022 10 0 BEAERO COc1cccc([C@@H]([NH3+])CC(F)F)c1OC ZINC000575437239 387107043 /nfs/dbraw/zinc/10/70/43/387107043.db2.gz BPVSTUKBYIEYIT-QMMMGPOBSA-N 1 0 231.242 2.359 10 0 BEAERO COc1cc(F)ccc1[C@@H]([NH3+])CC(F)F ZINC000575437675 387108704 /nfs/dbraw/zinc/10/87/04/387108704.db2.gz NRYNNTCJXYRUEX-QMMMGPOBSA-N 1 0 219.206 2.489 10 0 BEAERO CCOc1cc([C@H]([NH3+])CC(F)F)ccc1O ZINC000575437711 387110645 /nfs/dbraw/zinc/11/06/45/387110645.db2.gz PIQRRAGZVVXDDW-MRVPVSSYSA-N 1 0 231.242 2.446 10 0 BEAERO COc1cccc([C@@H]([NH3+])CC(F)F)c1 ZINC000575437732 387111419 /nfs/dbraw/zinc/11/14/19/387111419.db2.gz RBYMSKQAIHYRKZ-VIFPVBQESA-N 1 0 201.216 2.350 10 0 BEAERO Cc1cnccc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000228726462 387122148 /nfs/dbraw/zinc/12/21/48/387122148.db2.gz CWZUFOHNLKJDDW-UKRRQHHQSA-N 1 0 245.370 2.059 10 0 BEAERO [NH3+]CC[C@@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575439451 387123488 /nfs/dbraw/zinc/12/34/88/387123488.db2.gz MEDFFGYKCPXMGK-MRVPVSSYSA-N 1 0 235.114 2.048 10 0 BEAERO COc1c(F)cccc1[C@H]([NH3+])CCF ZINC000575439432 387124410 /nfs/dbraw/zinc/12/44/10/387124410.db2.gz KWDKHYKERFRIAN-SECBINFHSA-N 1 0 201.216 2.194 10 0 BEAERO COc1cc(F)ccc1[C@H]([NH3+])CCF ZINC000575440112 387127392 /nfs/dbraw/zinc/12/73/92/387127392.db2.gz VGFYVXGREYFSTF-SECBINFHSA-N 1 0 201.216 2.194 10 0 BEAERO COc1ccc([C@H]([NH3+])CCF)cc1OC ZINC000575438701 387132476 /nfs/dbraw/zinc/13/24/76/387132476.db2.gz AGZJHSVAYFGVRV-SECBINFHSA-N 1 0 213.252 2.063 10 0 BEAERO CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000119878632 387150500 /nfs/dbraw/zinc/15/05/00/387150500.db2.gz WFLKJDQDNNZLMI-STQMWFEESA-N 1 0 240.391 2.269 10 0 BEAERO C[C@@H]1C[C@@H](c2ccccc2)C[C@@H](O)[N@@H+]1C ZINC000536949853 387160534 /nfs/dbraw/zinc/16/05/34/387160534.db2.gz GMAAEVUSVBNALE-RAIGVLPGSA-N 1 0 205.301 2.203 10 0 BEAERO Cc1ccc([C@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536952288 387165761 /nfs/dbraw/zinc/16/57/61/387165761.db2.gz CFLOEVRLOAJRMT-ZDUSSCGKSA-N 1 0 219.328 2.200 10 0 BEAERO [NH3+]C[C@H](c1cccc(F)c1)C1(CO)CCCC1 ZINC000536954731 387167731 /nfs/dbraw/zinc/16/77/31/387167731.db2.gz TVJCDQQWFCSMHB-CYBMUJFWSA-N 1 0 237.318 2.421 10 0 BEAERO CCc1c(C)nc2snc(C[NH3+])c2c1C ZINC000536955907 387169552 /nfs/dbraw/zinc/16/95/52/387169552.db2.gz VNARFGOUWNJHHE-UHFFFAOYSA-N 1 0 221.329 2.329 10 0 BEAERO Cc1cccc(Br)c1NC1C[NH2+]C1 ZINC000575481396 387174282 /nfs/dbraw/zinc/17/42/82/387174282.db2.gz RSWKKPDUOFEFLV-UHFFFAOYSA-N 1 0 241.132 2.141 10 0 BEAERO Cc1ccncc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250863382 387176084 /nfs/dbraw/zinc/17/60/84/387176084.db2.gz FBPKKIOGQGLNBJ-STQMWFEESA-N 1 0 231.343 2.429 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CS1 ZINC000575483065 387187185 /nfs/dbraw/zinc/18/71/85/387187185.db2.gz NPMQOHYXCCCIRN-RQJHMYQMSA-N 1 0 207.289 2.268 10 0 BEAERO CC(C)=C[C@@H]([NH3+])c1nn(C)cc1Br ZINC000575483244 387202631 /nfs/dbraw/zinc/20/26/31/387202631.db2.gz OXLCPSMGFPJNPL-MRVPVSSYSA-N 1 0 244.136 2.149 10 0 BEAERO CSC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000187885429 387218060 /nfs/dbraw/zinc/21/80/60/387218060.db2.gz ICSDNOPPHMSMBD-WDEREUQCSA-N 1 0 241.356 2.140 10 0 BEAERO C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423371592 387225753 /nfs/dbraw/zinc/22/57/53/387225753.db2.gz HPRSOVNVWSVBKG-YNEHKIRRSA-N 1 0 222.376 2.439 10 0 BEAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423371590 387227192 /nfs/dbraw/zinc/22/71/92/387227192.db2.gz HPRSOVNVWSVBKG-RWMBFGLXSA-N 1 0 222.376 2.439 10 0 BEAERO CCC[C@@H](C(=O)N1CCC[C@H](CC)C1)[NH+](C)C ZINC000161543202 387241334 /nfs/dbraw/zinc/24/13/34/387241334.db2.gz NUXBVOFGWWVYDR-STQMWFEESA-N 1 0 240.391 2.365 10 0 BEAERO CC(C)NC(=[NH2+])[C@H]1CCCSCC1 ZINC000575484661 387252049 /nfs/dbraw/zinc/25/20/49/387252049.db2.gz ZZIXAGJAAMKGBY-VIFPVBQESA-N 1 0 200.351 2.495 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000575488125 387257362 /nfs/dbraw/zinc/25/73/62/387257362.db2.gz VXAJJUHTRFEROD-JTQLQIEISA-N 1 0 240.347 2.186 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000285707784 387281455 /nfs/dbraw/zinc/28/14/55/387281455.db2.gz PJMATPSIJIWKCB-NEPJUHHUSA-N 1 0 225.311 2.001 10 0 BEAERO CSCCC[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000389710064 387283771 /nfs/dbraw/zinc/28/37/71/387283771.db2.gz MDJYUUHBTAGAMA-VXGBXAGGSA-N 1 0 231.405 2.222 10 0 BEAERO CC[N@H+](C[C@H](O)C(F)(F)F)[C@@H](C)C(C)C ZINC000121074799 387291796 /nfs/dbraw/zinc/29/17/96/387291796.db2.gz BASIASZNAAQVAK-IUCAKERBSA-N 1 0 227.270 2.276 10 0 BEAERO COC(=O)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000353896110 387292261 /nfs/dbraw/zinc/29/22/61/387292261.db2.gz DWODXIZWHYBWHC-KGLIPLIRSA-N 1 0 245.322 2.458 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000392879441 387296009 /nfs/dbraw/zinc/29/60/09/387296009.db2.gz UPOFLCMIVXTJDB-QNWHQSFQSA-N 1 0 238.375 2.212 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000321758409 387301555 /nfs/dbraw/zinc/30/15/55/387301555.db2.gz CFNNFXZCXLOTPP-FVCCEPFGSA-N 1 0 210.365 2.105 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C1CCCCC1 ZINC000392931355 387303289 /nfs/dbraw/zinc/30/32/89/387303289.db2.gz KORGKMYCPOYDEY-GVXVVHGQSA-N 1 0 238.375 2.212 10 0 BEAERO CCO[C@H]1C[C@H]([N@H+](C)CCOC)C12CCCC2 ZINC000121161350 387304530 /nfs/dbraw/zinc/30/45/30/387304530.db2.gz HGJGFNACDWJVCN-STQMWFEESA-N 1 0 241.375 2.302 10 0 BEAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCCO)C12CCCC2 ZINC000121188132 387306196 /nfs/dbraw/zinc/30/61/96/387306196.db2.gz AJXHLXRWSBBNJD-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000121183207 387306682 /nfs/dbraw/zinc/30/66/82/387306682.db2.gz CYFBZMUHLCLXQH-NEPJUHHUSA-N 1 0 221.348 2.256 10 0 BEAERO CSc1ccnc(C2CC[NH+](C)CC2)n1 ZINC000575601263 387361005 /nfs/dbraw/zinc/36/10/05/387361005.db2.gz ULGYWLMZMSJECI-UHFFFAOYSA-N 1 0 223.345 2.008 10 0 BEAERO O[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000575601842 387369284 /nfs/dbraw/zinc/36/92/84/387369284.db2.gz GHEHQDLOWARYEX-BDAKNGLRSA-N 1 0 202.257 2.191 10 0 BEAERO C[NH2+][C@@H]1CO[C@H](c2ccc(Br)o2)C1 ZINC000575507944 387370362 /nfs/dbraw/zinc/37/03/62/387370362.db2.gz OAVYMFQFXYQXCT-XPUUQOCRSA-N 1 0 246.104 2.092 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2sccc2Cl)C1 ZINC000575506956 387375795 /nfs/dbraw/zinc/37/57/95/387375795.db2.gz DQRRWEXVXTXTPY-IYSWYEEDSA-N 1 0 203.694 2.190 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1c(C)cnn1C ZINC000286587168 387331840 /nfs/dbraw/zinc/33/18/40/387331840.db2.gz QMORHTPBLQRCHZ-WDEREUQCSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12CC(=O)CO2 ZINC000575499349 387337372 /nfs/dbraw/zinc/33/73/72/387337372.db2.gz FNSOKCDQOJPIFH-WFASDCNBSA-N 1 0 245.322 2.009 10 0 BEAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12CC(=O)CO2 ZINC000575499346 387337482 /nfs/dbraw/zinc/33/74/82/387337482.db2.gz FNSOKCDQOJPIFH-IUODEOHRSA-N 1 0 245.322 2.009 10 0 BEAERO O=C1CO[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575499398 387339972 /nfs/dbraw/zinc/33/99/72/387339972.db2.gz GSXQYWQEOHPLFD-HNNXBMFYSA-N 1 0 245.322 2.011 10 0 BEAERO C[C@@H]1[C@H]([NH3+])C[C@@H]1c1cncc(Br)c1 ZINC000575500958 387350484 /nfs/dbraw/zinc/35/04/84/387350484.db2.gz WHDYDRNEWHVDSY-JMOVZRAMSA-N 1 0 241.132 2.295 10 0 BEAERO Cc1ccc(C(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000058327479 387351046 /nfs/dbraw/zinc/35/10/46/387351046.db2.gz KYMBTFOXMFFMQI-LBPRGKRZSA-N 1 0 203.285 2.320 10 0 BEAERO N[C@@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000035677032 387438073 /nfs/dbraw/zinc/43/80/73/387438073.db2.gz NDPPMYOFLQQIAG-QMMMGPOBSA-N 1 0 236.262 2.257 10 0 BEAERO CCOc1cc(C[NH3+])c(OCC)cc1F ZINC000575721333 387443201 /nfs/dbraw/zinc/44/32/01/387443201.db2.gz KPPKNTUOEJABMK-UHFFFAOYSA-N 1 0 213.252 2.082 10 0 BEAERO CCOc1cc(C[NH3+])c(OCC)cc1C ZINC000575721451 387444961 /nfs/dbraw/zinc/44/49/61/387444961.db2.gz LSBGDQJQBPUPMS-UHFFFAOYSA-N 1 0 209.289 2.251 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000038092912 387452534 /nfs/dbraw/zinc/45/25/34/387452534.db2.gz YHQXDCWXLZGVMJ-LDYMZIIASA-N 1 0 240.734 2.255 10 0 BEAERO C[NH2+]Cc1ccc(NC(=O)C2CC(C)C2)cc1 ZINC000516067546 387454269 /nfs/dbraw/zinc/45/42/69/387454269.db2.gz AQCJWXOAZDLCAV-UHFFFAOYSA-N 1 0 232.327 2.391 10 0 BEAERO C[C@]1(C(N)=S)CC[N@H+](Cc2ccccc2)C1 ZINC000575523508 387458139 /nfs/dbraw/zinc/45/81/39/387458139.db2.gz LRHDVDKAQNYVLX-ZDUSSCGKSA-N 1 0 234.368 2.185 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2cccc(Br)c2)C1 ZINC000575508726 387392622 /nfs/dbraw/zinc/39/26/22/387392622.db2.gz OAKUKSVXDBNLPI-NXEZZACHSA-N 1 0 242.116 2.238 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCCN(C)C2)s1 ZINC000051718648 387406824 /nfs/dbraw/zinc/40/68/24/387406824.db2.gz YPDIJQANFGSHDP-LLVKDONJSA-N 1 0 238.400 2.494 10 0 BEAERO C[C@@]1([C@@H]([NH3+])c2cncs2)CCCS1 ZINC000575515266 387422892 /nfs/dbraw/zinc/42/28/92/387422892.db2.gz PRSXKYVIARDAGT-IUCAKERBSA-N 1 0 214.359 2.429 10 0 BEAERO COc1cc2c(c(OC)c1)CC[C@@H]([NH+](C)C)C2 ZINC000584626118 387503691 /nfs/dbraw/zinc/50/36/91/387503691.db2.gz POIIPNQJZMDWSB-LLVKDONJSA-N 1 0 235.327 2.123 10 0 BEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccno1 ZINC000300404210 387518011 /nfs/dbraw/zinc/51/80/11/387518011.db2.gz HDNXWJMKSMZNLL-STQMWFEESA-N 1 0 249.358 2.123 10 0 BEAERO CCCC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876816 387523085 /nfs/dbraw/zinc/52/30/85/387523085.db2.gz QFZAHKRAJCAZIT-UHFFFAOYSA-N 1 0 235.375 2.475 10 0 BEAERO COC[C@](C)(CCO)[NH2+]CCCC1CCCC1 ZINC000123632902 387589245 /nfs/dbraw/zinc/58/92/45/387589245.db2.gz CUDOYNBXZFZASP-AWEZNQCLSA-N 1 0 243.391 2.334 10 0 BEAERO C[C@@H]1C[C@H]([N@H+](C)CCOC(C)(C)C)CCN1C ZINC000123660807 387590371 /nfs/dbraw/zinc/59/03/71/387590371.db2.gz ZRDTXMRCKUHXIB-CHWSQXEVSA-N 1 0 242.407 2.216 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cncs1 ZINC000124358241 387613409 /nfs/dbraw/zinc/61/34/09/387613409.db2.gz STUSNBSZZZJIOA-JQWIXIFHSA-N 1 0 240.372 2.294 10 0 BEAERO COCC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000124699504 387629402 /nfs/dbraw/zinc/62/94/02/387629402.db2.gz KWOSZNMADUODDM-RWMBFGLXSA-N 1 0 229.364 2.062 10 0 BEAERO Cc1cc(C[N@H+](CCO)C2CCCC2)ccn1 ZINC000527532285 387623938 /nfs/dbraw/zinc/62/39/38/387623938.db2.gz CRGHSQPTMXXHCR-UHFFFAOYSA-N 1 0 234.343 2.127 10 0 BEAERO C[C@H]1OCC[C@@]1([NH3+])CC=C(Cl)Cl ZINC000575531572 387549266 /nfs/dbraw/zinc/54/92/66/387549266.db2.gz PUZCTQFOKNGQMT-SVRRBLITSA-N 1 0 210.104 2.202 10 0 BEAERO C[NH2+][C@H]1COC[C@H]1c1ccc(Cl)s1 ZINC000575532540 387551032 /nfs/dbraw/zinc/55/10/32/387551032.db2.gz WJDSNLUNLRMHIB-RQJHMYQMSA-N 1 0 217.721 2.103 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399550348 387552555 /nfs/dbraw/zinc/55/25/55/387552555.db2.gz ZHNQBSACYBEYMP-IGQOVBAYSA-N 1 0 243.391 2.140 10 0 BEAERO C/C(=C\Cl)CC1([NH3+])CCC(O)CC1 ZINC000575533043 387553379 /nfs/dbraw/zinc/55/33/79/387553379.db2.gz ZSOKTGNCGIXSRX-BQYQJAHWSA-N 1 0 203.713 2.152 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CC(C)(C)C1 ZINC000037989078 387569363 /nfs/dbraw/zinc/56/93/63/387569363.db2.gz QWFGQBSMIVXVDS-MNOVXSKESA-N 1 0 236.363 2.120 10 0 BEAERO C[C@@H]1CC[C@@]2(CS1)[NH2+]CCCS2 ZINC000575534668 387573255 /nfs/dbraw/zinc/57/32/55/387573255.db2.gz LPCCPBLPJSVQSA-RKDXNWHRSA-N 1 0 203.376 2.325 10 0 BEAERO CC(C)(O)C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121792980 387576312 /nfs/dbraw/zinc/57/63/12/387576312.db2.gz KQJKGQLBIAKPTH-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO C[C@]([NH3+])(c1ccc(Br)cn1)C1CC1 ZINC000575556068 387694585 /nfs/dbraw/zinc/69/45/85/387694585.db2.gz NMLLTUXMALFQPO-SNVBAGLBSA-N 1 0 241.132 2.428 10 0 BEAERO C/C(=C\Br)C[C@H]1CCC[NH2+]1 ZINC000575545722 387630388 /nfs/dbraw/zinc/63/03/88/387630388.db2.gz NITZKISXSFNTQU-HYDMIIDASA-N 1 0 204.111 2.427 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ccc(OC(F)F)cn1 ZINC000327998400 387635332 /nfs/dbraw/zinc/63/53/32/387635332.db2.gz HUISFTGTWAXKNS-QMMMGPOBSA-N 1 0 245.273 2.222 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1CCO[C@H]2CCCC[C@@H]21 ZINC000043428106 387653677 /nfs/dbraw/zinc/65/36/77/387653677.db2.gz GDEYBYFOSMAWJU-IHRRRGAJSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@@]([NH3+])(c1ccsc1)c1ccsn1 ZINC000575550718 387654446 /nfs/dbraw/zinc/65/44/46/387654446.db2.gz VUDCECNDPUNHSI-SECBINFHSA-N 1 0 210.327 2.427 10 0 BEAERO COc1cc(C)nc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000125959842 387668220 /nfs/dbraw/zinc/66/82/20/387668220.db2.gz XGPTXFVKMIKEOZ-JTQLQIEISA-N 1 0 220.316 2.287 10 0 BEAERO COc1cc(C)nc(C[NH2+]C2CCCC2)c1 ZINC000125952829 387668500 /nfs/dbraw/zinc/66/85/00/387668500.db2.gz BKKIYBGLERSDAZ-UHFFFAOYSA-N 1 0 220.316 2.431 10 0 BEAERO C[C@@H]([NH2+]CCCF)c1cn(-c2ccccc2)nn1 ZINC000126978801 387700381 /nfs/dbraw/zinc/70/03/81/387700381.db2.gz QGAZLMLQSLQYRH-LLVKDONJSA-N 1 0 248.305 2.278 10 0 BEAERO CCOCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045169945 387707324 /nfs/dbraw/zinc/70/73/24/387707324.db2.gz IRUBMKZJGUUBLC-SNVBAGLBSA-N 1 0 239.363 2.207 10 0 BEAERO Cc1cc(C)cc(COC[C@H]2CC[NH2+]C2)c1 ZINC000051888511 177901940 /nfs/dbraw/zinc/90/19/40/177901940.db2.gz JEUNCCNGYJVKHW-ZDUSSCGKSA-N 1 0 219.328 2.430 10 0 BEAERO Cc1ncsc1[C@]1([NH3+])CCS[C@H]1C ZINC000575565584 387734296 /nfs/dbraw/zinc/73/42/96/387734296.db2.gz ALCZUXLIMQFQGN-CBAPKCEASA-N 1 0 214.359 2.131 10 0 BEAERO [NH3+][C@@]1(c2cscc2Br)CCOC1 ZINC000575567761 387736539 /nfs/dbraw/zinc/73/65/39/387736539.db2.gz LBJOONJVNYQNJV-QMMMGPOBSA-N 1 0 248.145 2.085 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(c2ccns2)CS1 ZINC000575567810 387736635 /nfs/dbraw/zinc/73/66/35/387736635.db2.gz AGLAWHSYLLZHLI-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO CC(C)[C@@H](C)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000157174750 387762309 /nfs/dbraw/zinc/76/23/09/387762309.db2.gz HKDIUPNYXXPMPQ-GFCCVEGCSA-N 1 0 243.395 2.013 10 0 BEAERO C[C@]1(c2nc(-c3ccco3)no2)CCCC[NH2+]1 ZINC000133862910 387801182 /nfs/dbraw/zinc/80/11/82/387801182.db2.gz XTKITKLIHGVWGY-GFCCVEGCSA-N 1 0 233.271 2.318 10 0 BEAERO C[C@@]1(c2nc(-c3ccco3)no2)CCCC[NH2+]1 ZINC000133863119 387802981 /nfs/dbraw/zinc/80/29/81/387802981.db2.gz XTKITKLIHGVWGY-LBPRGKRZSA-N 1 0 233.271 2.318 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000528019102 387824421 /nfs/dbraw/zinc/82/44/21/387824421.db2.gz QZNDMVZVPKCTGR-HTAVTVPLSA-N 1 0 209.333 2.070 10 0 BEAERO C[C@@H](Cc1ccsc1)[NH2+]CC1CC(O)C1 ZINC000528019494 387824930 /nfs/dbraw/zinc/82/49/30/387824930.db2.gz PMSGXNYJKFRHAS-GCVQQVDUSA-N 1 0 225.357 2.040 10 0 BEAERO C1=CO[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000193759799 387862435 /nfs/dbraw/zinc/86/24/35/387862435.db2.gz YAXOHEIANJUUAM-BFHYXJOUSA-N 1 0 237.343 2.323 10 0 BEAERO Cc1cc(C)c([C@@H]([NH3+])CN(C)C)c(C)c1 ZINC000019259479 177872267 /nfs/dbraw/zinc/87/22/67/177872267.db2.gz DZORKHGIYYTPIG-LBPRGKRZSA-N 1 0 206.333 2.173 10 0 BEAERO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000134982288 387814960 /nfs/dbraw/zinc/81/49/60/387814960.db2.gz ALWVDZCXJHDFKK-RYUDHWBXSA-N 1 0 237.343 2.192 10 0 BEAERO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)[C@H]1C[C@H]1C ZINC000321889797 387918374 /nfs/dbraw/zinc/91/83/74/387918374.db2.gz LDQDEFSSZVIOMI-SWHYSGLUSA-N 1 0 238.375 2.022 10 0 BEAERO CCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518169 387921175 /nfs/dbraw/zinc/92/11/75/387921175.db2.gz BNOIGQKSZBNQMY-LLVKDONJSA-N 1 0 223.320 2.043 10 0 BEAERO CCC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195518171 387921563 /nfs/dbraw/zinc/92/15/63/387921563.db2.gz BNOIGQKSZBNQMY-NSHDSACASA-N 1 0 223.320 2.043 10 0 BEAERO COc1ncnc2c1C[N@H+](CC1CCCC1)CC2 ZINC000195513004 387922395 /nfs/dbraw/zinc/92/23/95/387922395.db2.gz RCXBSSQOCBUOHG-UHFFFAOYSA-N 1 0 247.342 2.034 10 0 BEAERO COc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396634948 387926642 /nfs/dbraw/zinc/92/66/42/387926642.db2.gz KCSMBQDUQCVQRJ-SLEUVZQESA-N 1 0 248.370 2.486 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1=CCCC1 ZINC000645802696 387941941 /nfs/dbraw/zinc/94/19/41/387941941.db2.gz GGRPFXKIXUMYMC-OCCSQVGLSA-N 1 0 220.360 2.265 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)on1 ZINC000245428706 387945416 /nfs/dbraw/zinc/94/54/16/387945416.db2.gz MRKGEGPHTJPLJL-KGLIPLIRSA-N 1 0 249.358 2.042 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)Oc1ccc(F)cc1F ZINC000041053959 387959048 /nfs/dbraw/zinc/95/90/48/387959048.db2.gz LTPRSISCADBXHA-RNFRBKRXSA-N 1 0 201.216 2.079 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000245593814 387963380 /nfs/dbraw/zinc/96/33/80/387963380.db2.gz BEYVFLZKNSLJGV-OLZOCXBDSA-N 1 0 221.348 2.394 10 0 BEAERO CCn1nc(C)c([C@@H](C)NCc2cc[nH]n2)c1C ZINC000045172241 387971437 /nfs/dbraw/zinc/97/14/37/387971437.db2.gz IHEMCTJCVUYVFT-SECBINFHSA-N 1 0 247.346 2.094 10 0 BEAERO C[C@@H]1C[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)CCS1 ZINC000245856615 387988655 /nfs/dbraw/zinc/98/86/55/387988655.db2.gz NRJBWVMLOLHGON-DDTOSNHZSA-N 1 0 249.379 2.082 10 0 BEAERO CCSCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246181182 388016505 /nfs/dbraw/zinc/01/65/05/388016505.db2.gz ROPNMUIYZYGDFC-VXGBXAGGSA-N 1 0 229.389 2.383 10 0 BEAERO C[NH2+][C@]1(c2nc(C)cs2)CCSC1 ZINC000041060474 388018744 /nfs/dbraw/zinc/01/87/44/388018744.db2.gz QXBIRKCRYPGXLN-SECBINFHSA-N 1 0 214.359 2.003 10 0 BEAERO CC(C)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000084010645 388068191 /nfs/dbraw/zinc/06/81/91/388068191.db2.gz NOHWDTGBDNHEOF-SNVBAGLBSA-N 1 0 218.300 2.110 10 0 BEAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCC[C@H]2O)s1 ZINC000084225555 388075427 /nfs/dbraw/zinc/07/54/27/388075427.db2.gz OCQRZCXKBUXYRQ-GHMZBOCLSA-N 1 0 240.372 2.011 10 0 BEAERO [NH3+]Cc1ccc(-c2cncc(F)c2)s1 ZINC000070601107 388084595 /nfs/dbraw/zinc/08/45/95/388084595.db2.gz RXNDAWPSCAEHER-UHFFFAOYSA-N 1 0 208.261 2.408 10 0 BEAERO CC(C)c1cccc2c1NC(=O)[C@H]2CC[NH3+] ZINC000071483483 388095417 /nfs/dbraw/zinc/09/54/17/388095417.db2.gz OIUKSTFIJFDRPE-NSHDSACASA-N 1 0 218.300 2.195 10 0 BEAERO Clc1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000071518397 388096039 /nfs/dbraw/zinc/09/60/39/388096039.db2.gz PYHPYRPAVOTUTM-JTQLQIEISA-N 1 0 211.692 2.043 10 0 BEAERO C[C@@H]1CS[C@H]([C@H]2CCCSC2)[NH2+]1 ZINC000306423124 388096700 /nfs/dbraw/zinc/09/67/00/388096700.db2.gz FDXOBJHBCMHHAE-HRDYMLBCSA-N 1 0 203.376 2.181 10 0 BEAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1ccccc1Cl ZINC000071518911 388096951 /nfs/dbraw/zinc/09/69/51/388096951.db2.gz CLMNOGRTSYKAIK-MNOVXSKESA-N 1 0 213.708 2.357 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1cccc(Cl)c1 ZINC000071518916 388097207 /nfs/dbraw/zinc/09/72/07/388097207.db2.gz VQQGMLLHUVGTPB-QWRGUYRKSA-N 1 0 213.708 2.357 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C(C)C)C1CC1 ZINC000195146619 388098283 /nfs/dbraw/zinc/09/82/83/388098283.db2.gz IAOCZJJNBZTURY-CYBMUJFWSA-N 1 0 229.364 2.037 10 0 BEAERO COC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000071546904 388098523 /nfs/dbraw/zinc/09/85/23/388098523.db2.gz GGVCXQPRULTOOZ-RXMQYKEDSA-N 1 0 236.134 2.157 10 0 BEAERO c1n[nH]cc1C[NH2+]Cc1cccc2cccnc21 ZINC000038006030 388101657 /nfs/dbraw/zinc/10/16/57/388101657.db2.gz SZEJQYQNNBVZRG-UHFFFAOYSA-N 1 0 238.294 2.248 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000119072892 388103676 /nfs/dbraw/zinc/10/36/76/388103676.db2.gz MBQGVRIVHPAJON-ZYHUDNBSSA-N 1 0 242.388 2.339 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000083143104 388046259 /nfs/dbraw/zinc/04/62/59/388046259.db2.gz UBMZEMYVHZNBEY-QWRGUYRKSA-N 1 0 239.388 2.278 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)[C@H](C)O1 ZINC000449305836 388170291 /nfs/dbraw/zinc/17/02/91/388170291.db2.gz UNFHQPXYSDFIDW-VXUPGSCNSA-N 1 0 241.375 2.346 10 0 BEAERO C[C@H](CC1CC1)[NH2+]Cc1cnc(N)s1 ZINC000261528648 135153922 /nfs/dbraw/zinc/15/39/22/135153922.db2.gz NEUOKHHQJSOLNX-SSDOTTSWSA-N 1 0 211.334 2.004 10 0 BEAERO C[C@@H](CC1CC1)[NH2+]Cc1cnc(N)s1 ZINC000261528649 135153924 /nfs/dbraw/zinc/15/39/24/135153924.db2.gz NEUOKHHQJSOLNX-ZETCQYMHSA-N 1 0 211.334 2.004 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cncs1 ZINC000164043497 388138607 /nfs/dbraw/zinc/13/86/07/388138607.db2.gz IZCZVNFQYXZTBH-WPRPVWTQSA-N 1 0 228.361 2.201 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000165036454 388250558 /nfs/dbraw/zinc/25/05/58/388250558.db2.gz NBGGFFGTABLERX-JOYOIKCWSA-N 1 0 209.289 2.050 10 0 BEAERO CC[C@@H]([NH3+])CCNC(=O)OCc1ccccc1 ZINC000039952297 388259114 /nfs/dbraw/zinc/25/91/14/388259114.db2.gz ADGLXHWBSZTAIH-GFCCVEGCSA-N 1 0 236.315 2.040 10 0 BEAERO C[C@@H]1CN(c2nccc3ccccc32)C[C@H]1[NH3+] ZINC000300049985 388345838 /nfs/dbraw/zinc/34/58/38/388345838.db2.gz WCNDWIUORFNDBP-ZWNOBZJWSA-N 1 0 227.311 2.018 10 0 BEAERO CC(C)=CCC[NH2+]Cc1cnn(C)c1C ZINC000276582406 388349550 /nfs/dbraw/zinc/34/95/50/388349550.db2.gz BSNIKBAEMJUMJS-UHFFFAOYSA-N 1 0 207.321 2.174 10 0 BEAERO O=C(Cc1ccsc1)[C@H]1CCCCC[NH2+]1 ZINC000226522138 388352600 /nfs/dbraw/zinc/35/26/00/388352600.db2.gz PZWAZMNUZAZCQL-LLVKDONJSA-N 1 0 223.341 2.392 10 0 BEAERO C[C@@H]1C[NH2+][C@]2(CCCSCC2)S1 ZINC000575518808 388356166 /nfs/dbraw/zinc/35/61/66/388356166.db2.gz VGKADGGJJUSHTR-RKDXNWHRSA-N 1 0 203.376 2.325 10 0 BEAERO CCN1CCC[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000327506738 388376149 /nfs/dbraw/zinc/37/61/49/388376149.db2.gz QADGLNCRFBJLGP-QWHCGFSZSA-N 1 0 242.432 2.346 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000293904556 388392621 /nfs/dbraw/zinc/39/26/21/388392621.db2.gz HNOGKCXAHBCRFF-MXWKQRLJSA-N 1 0 205.305 2.106 10 0 BEAERO CCC(C)(C)OCC[NH2+]Cc1cnn(C)c1C ZINC000308547467 388442506 /nfs/dbraw/zinc/44/25/06/388442506.db2.gz QKBDQUQQHQMOCB-UHFFFAOYSA-N 1 0 239.363 2.023 10 0 BEAERO Clc1ccccc1CC[NH2+]CCn1cccn1 ZINC000071879205 388447097 /nfs/dbraw/zinc/44/70/97/388447097.db2.gz UZDBPLZPAQPNHF-UHFFFAOYSA-N 1 0 249.745 2.369 10 0 BEAERO Cc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1 ZINC000334745763 388447216 /nfs/dbraw/zinc/44/72/16/388447216.db2.gz KWGDFNNDVKFPDG-JSGCOSHPSA-N 1 0 219.328 2.198 10 0 BEAERO CCc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)o1 ZINC000134244539 388474856 /nfs/dbraw/zinc/47/48/56/388474856.db2.gz JHHJYYSPTNLXSM-JOYOIKCWSA-N 1 0 209.289 2.109 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccsc1)[C@H](C)CO ZINC000134176797 388474941 /nfs/dbraw/zinc/47/49/41/388474941.db2.gz YFOYIASKEULIOQ-BBBLOLIVSA-N 1 0 213.346 2.416 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)C1CC1 ZINC000175275701 388429014 /nfs/dbraw/zinc/42/90/14/388429014.db2.gz RZEWYIHPJOSROC-WCQYABFASA-N 1 0 240.391 2.125 10 0 BEAERO Cc1cc(C)c([C@H]2COCC[NH2+]2)c(C)c1 ZINC000041213932 388433600 /nfs/dbraw/zinc/43/36/00/388433600.db2.gz LZPUGEHSXDAQHR-GFCCVEGCSA-N 1 0 205.301 2.273 10 0 BEAERO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cn[nH]c2)C12CCC2 ZINC000308396009 388438157 /nfs/dbraw/zinc/43/81/57/388438157.db2.gz PPABHNZJJLJQEE-YUSALJHKSA-N 1 0 235.331 2.018 10 0 BEAERO CCCC[C@H](CC)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079519504 388537919 /nfs/dbraw/zinc/53/79/19/388537919.db2.gz GUDZXAOOCIRBHZ-GXTWGEPZSA-N 1 0 240.391 2.461 10 0 BEAERO CN(CC(C)(C)C[NH3+])c1ccnc2cccnc21 ZINC000341011472 388493713 /nfs/dbraw/zinc/49/37/13/388493713.db2.gz GKKHJNNQFAMULM-UHFFFAOYSA-N 1 0 244.342 2.051 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@H]2CCO[C@@H]21 ZINC000397760911 388497107 /nfs/dbraw/zinc/49/71/07/388497107.db2.gz VNSHGCXHKGFMOZ-KALVJPODSA-N 1 0 221.344 2.188 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCCNC1=O)[C@H]1CC1(C)C ZINC000397795819 388499641 /nfs/dbraw/zinc/49/96/41/388499641.db2.gz DUAJGFCZCZAZOV-WOPDTQHZSA-N 1 0 238.375 2.069 10 0 BEAERO CCC[C@@H](C(=O)N(C)C[C@H](C)CC)[NH+](C)C ZINC000178658676 388503241 /nfs/dbraw/zinc/50/32/41/388503241.db2.gz UWICGRZRBHIKJF-NEPJUHHUSA-N 1 0 228.380 2.221 10 0 BEAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC2CCCCC2)C1 ZINC000343952469 388504131 /nfs/dbraw/zinc/50/41/31/388504131.db2.gz JVWWTUNCENADLK-UONOGXRCSA-N 1 0 241.375 2.038 10 0 BEAERO CCC[C@]1([NH2+]C[C@@H]2CCC[C@H](O)C2)CCOC1 ZINC000378832083 388517069 /nfs/dbraw/zinc/51/70/69/388517069.db2.gz KNLULHNUUSJTSK-RDBSUJKOSA-N 1 0 241.375 2.086 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)[C@@H]1CCCOC1 ZINC000348686107 388527602 /nfs/dbraw/zinc/52/76/02/388527602.db2.gz RMMNEDIDYWSPSV-DGAVXFQQSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@H]1CN(Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000066054548 388533529 /nfs/dbraw/zinc/53/35/29/388533529.db2.gz WMQIYLJQZHLVOF-JSGCOSHPSA-N 1 0 218.344 2.259 10 0 BEAERO CN1CCNC(Cc2cccc3ccccc32)=[NH+]1 ZINC000090505110 388591310 /nfs/dbraw/zinc/59/13/10/388591310.db2.gz LHNCXCNNNBRXIX-UHFFFAOYSA-N 1 0 239.322 2.231 10 0 BEAERO N[C@@]1(c2ccccc2)CC[C@@H]2CCC[N@@H+]2C1 ZINC000091690790 388591957 /nfs/dbraw/zinc/59/19/57/388591957.db2.gz LXQAPKLETBYZPR-KBPBESRZSA-N 1 0 216.328 2.099 10 0 BEAERO CCC[C@@H]1Cn2c(=O)[nH]c3cccc(c32)C[NH2+]1 ZINC000006381071 388593113 /nfs/dbraw/zinc/59/31/13/388593113.db2.gz QSULKPHFKMWJAK-SNVBAGLBSA-N 1 0 231.299 2.014 10 0 BEAERO CSC[C@@H]([NH3+])c1cc(F)ccc1F ZINC000055243547 388597170 /nfs/dbraw/zinc/59/71/70/388597170.db2.gz TWTCYZOGLONYMM-SECBINFHSA-N 1 0 203.257 2.328 10 0 BEAERO C[C@@H]([N@H+](C)C[C@@H](O)COC(C)(C)C)C1(C)CC1 ZINC000245861624 388607370 /nfs/dbraw/zinc/60/73/70/388607370.db2.gz CDSVQLXJUKHCHH-VXGBXAGGSA-N 1 0 243.391 2.283 10 0 BEAERO CC(F)(F)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000357702956 388552317 /nfs/dbraw/zinc/55/23/17/388552317.db2.gz CFNCKOKVRSPZPY-BBBLOLIVSA-N 1 0 233.302 2.435 10 0 BEAERO C[C@]1(c2cccs2)C[C@H]1C[NH2+][C@@H]1CCOC1 ZINC000364021859 388564164 /nfs/dbraw/zinc/56/41/64/388564164.db2.gz KNELMSKISVHBLD-LOWVWBTDSA-N 1 0 237.368 2.404 10 0 BEAERO Fc1ccc2cnn(C3CC[NH2+]CC3)c2c1 ZINC000075944604 388575932 /nfs/dbraw/zinc/57/59/32/388575932.db2.gz IMLMUDZMPPPKBW-UHFFFAOYSA-N 1 0 219.263 2.100 10 0 BEAERO CC[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000248374975 388677358 /nfs/dbraw/zinc/67/73/58/388677358.db2.gz VJBXDPPYYGZHJN-AAEUAGOBSA-N 1 0 221.348 2.454 10 0 BEAERO [NH3+]Cc1ccncc1Oc1ccccc1 ZINC000162461118 388619818 /nfs/dbraw/zinc/61/98/18/388619818.db2.gz WSTAFSHFNMUGRZ-UHFFFAOYSA-N 1 0 200.241 2.333 10 0 BEAERO COc1cc([C@@H]([NH3+])CCF)cc(Cl)c1O ZINC000575439221 388627155 /nfs/dbraw/zinc/62/71/55/388627155.db2.gz QBDNZBCHSFWKFX-QMMMGPOBSA-N 1 0 233.670 2.414 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1csc2ccccc21 ZINC000054462689 388639636 /nfs/dbraw/zinc/63/96/36/388639636.db2.gz YSTHYNLIOXIOJZ-JTQLQIEISA-N 1 0 235.308 2.464 10 0 BEAERO CCn1ccnc1C[S@](=O)c1ccoc1C ZINC000189638573 388641004 /nfs/dbraw/zinc/64/10/04/388641004.db2.gz AGTXIRIKKBHTAQ-INIZCTEOSA-N 1 0 238.312 2.112 10 0 BEAERO C[NH2+][C@@H](c1ccsc1)c1cccnc1 ZINC000037761945 388644828 /nfs/dbraw/zinc/64/48/28/388644828.db2.gz OWCCYFWSZFPSTP-LLVKDONJSA-N 1 0 204.298 2.452 10 0 BEAERO CCC(CC)[C@H](O)C[NH2+][C@H]1CCCSC1 ZINC000128264980 388742894 /nfs/dbraw/zinc/74/28/94/388742894.db2.gz UIDCUJCLZJHHCV-NWDGAFQWSA-N 1 0 231.405 2.269 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000248644841 388688141 /nfs/dbraw/zinc/68/81/41/388688141.db2.gz FRPALANTCPYEMF-CHWSQXEVSA-N 1 0 243.391 2.284 10 0 BEAERO CC[C@H](C)[NH+]1CCC(c2nncn2CC)CC1 ZINC000193000979 388692053 /nfs/dbraw/zinc/69/20/53/388692053.db2.gz RPXJAUWAPNHVTG-NSHDSACASA-N 1 0 236.363 2.276 10 0 BEAERO CC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000126257778 388692714 /nfs/dbraw/zinc/69/27/14/388692714.db2.gz IMBZCRTZVQLVNM-UHFFFAOYSA-N 1 0 219.288 2.430 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000127301491 388720067 /nfs/dbraw/zinc/72/00/67/388720067.db2.gz NUGHEASZROADOM-JSGCOSHPSA-N 1 0 245.370 2.105 10 0 BEAERO C[C@@H]1OCC[C@]1([NH3+])c1sccc1Cl ZINC000575449294 388728960 /nfs/dbraw/zinc/72/89/60/388728960.db2.gz GDUUIXAAUJWKOB-IMTBSYHQSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc(O)c1 ZINC000227839031 388759833 /nfs/dbraw/zinc/75/98/33/388759833.db2.gz MSNYANXPHBVKPX-GIPNMCIBSA-N 1 0 221.300 2.220 10 0 BEAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc2c(c1)CCO2 ZINC000091525538 388764633 /nfs/dbraw/zinc/76/46/33/388764633.db2.gz YZXJUZUISZPWTE-IFQILLTASA-N 1 0 247.338 2.043 10 0 BEAERO C[C@H](CCc1ccccc1)[NH2+]CC1CC(O)C1 ZINC000091524917 388765390 /nfs/dbraw/zinc/76/53/90/388765390.db2.gz AMVCGMPMCZIISY-LRVUVFPRSA-N 1 0 233.355 2.368 10 0 BEAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000091538265 388766893 /nfs/dbraw/zinc/76/68/93/388766893.db2.gz QGDQIBFPCVLETN-YUVKLTJASA-N 1 0 235.327 2.264 10 0 BEAERO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000250132212 388784952 /nfs/dbraw/zinc/78/49/52/388784952.db2.gz XHOOUOPLPIOHKA-OCCSQVGLSA-N 1 0 237.343 2.370 10 0 BEAERO CCC[C@H](C(=O)OCC)[N@@H+]1CCCSCC1 ZINC000129297018 388830037 /nfs/dbraw/zinc/83/00/37/388830037.db2.gz NJVTWNJPDZXGEC-LLVKDONJSA-N 1 0 245.388 2.157 10 0 BEAERO CC[C@@H]([NH2+][C@H](C)CO)c1cccc(OC)c1 ZINC000129313524 388831503 /nfs/dbraw/zinc/83/15/03/388831503.db2.gz AFFKXSOLEWMDRF-ZWNOBZJWSA-N 1 0 223.316 2.117 10 0 BEAERO Cc1ncc([C@H]([NH3+])[C@]2(C)C[C@H]2F)s1 ZINC000575466693 388838733 /nfs/dbraw/zinc/83/87/33/388838733.db2.gz PWNLPTIZNDHVCB-HRDYMLBCSA-N 1 0 200.282 2.199 10 0 BEAERO [NH3+][C@H]1CC[C@H]1Cc1ccncc1Br ZINC000575470599 388846963 /nfs/dbraw/zinc/84/69/63/388846963.db2.gz KNHOHOSWQMXGSN-WPRPVWTQSA-N 1 0 241.132 2.124 10 0 BEAERO Cc1cc(-c2nnc(CC[NH2+]C3CC3)o2)c(C)o1 ZINC000050620504 177694363 /nfs/dbraw/zinc/69/43/63/177694363.db2.gz HQTYIIZRPCXEPX-UHFFFAOYSA-N 1 0 247.298 2.241 10 0 BEAERO Cc1ncc([C@@]2(F)CC[C@H]([NH3+])C2)s1 ZINC000575491242 388913149 /nfs/dbraw/zinc/91/31/49/388913149.db2.gz UALQINNJOVDZIK-IONNQARKSA-N 1 0 200.282 2.128 10 0 BEAERO Cc1ncc([C@]2(F)CC[C@@H]([NH3+])C2)s1 ZINC000575491240 388916155 /nfs/dbraw/zinc/91/61/55/388916155.db2.gz UALQINNJOVDZIK-APPZFPTMSA-N 1 0 200.282 2.128 10 0 BEAERO C[C@H]1[C@H](c2cncc(Br)c2)C[C@@H]1[NH3+] ZINC000575500960 388990511 /nfs/dbraw/zinc/99/05/11/388990511.db2.gz WHDYDRNEWHVDSY-QUNWWBBNSA-N 1 0 241.132 2.295 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2cc(Cl)cs2)C1 ZINC000575506457 388991793 /nfs/dbraw/zinc/99/17/93/388991793.db2.gz AHPFERQKRSVZDE-BQBZGAKWSA-N 1 0 203.694 2.190 10 0 BEAERO C[C@@H]1CCCN(c2ccccc2C(N)=[NH2+])C1 ZINC000020075823 132329686 /nfs/dbraw/zinc/32/96/86/132329686.db2.gz OSFAJLYCVVCHAZ-SNVBAGLBSA-N 1 0 217.316 2.207 10 0 BEAERO CC1(C)CN(c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000041247056 132349836 /nfs/dbraw/zinc/34/98/36/132349836.db2.gz XVXDRQADTGZTAU-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO Cc1cc(F)ccc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049708629 132357202 /nfs/dbraw/zinc/35/72/02/132357202.db2.gz CJPOVWZNYQMFJA-CMPLNLGQSA-N 1 0 222.307 2.450 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1cc(F)cc(F)c1 ZINC000049709557 132357309 /nfs/dbraw/zinc/35/73/09/132357309.db2.gz DSCJOMKDNOBEOD-KCJUWKMLSA-N 1 0 226.270 2.281 10 0 BEAERO CC[C@H]1CCCN(c2ccnc(C[NH3+])c2)C1 ZINC000051396978 132360486 /nfs/dbraw/zinc/36/04/86/132360486.db2.gz PEZNMLNJGDKOKU-NSHDSACASA-N 1 0 219.332 2.167 10 0 BEAERO CC[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000051436043 132360898 /nfs/dbraw/zinc/36/08/98/132360898.db2.gz PYRGVTJLVLWKAF-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO CCN(C)CC[NH2+]Cc1ccc(C)cc1 ZINC000049938224 169698979 /nfs/dbraw/zinc/69/89/79/169698979.db2.gz REOPWURJXNEODA-UHFFFAOYSA-N 1 0 206.333 2.036 10 0 BEAERO C[C@@H](NCc1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000400357278 533445269 /nfs/dbraw/zinc/44/52/69/533445269.db2.gz OUUFWOHNMJFTQP-NXEZZACHSA-N 1 0 240.297 2.052 10 0 BEAERO CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000084446430 322835209 /nfs/dbraw/zinc/83/52/09/322835209.db2.gz FDDRPEMGLXBXNT-MVKMKZAISA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@]1(CN2CCCc3ccccc32)CC[NH2+]C1 ZINC000062910943 132241259 /nfs/dbraw/zinc/24/12/59/132241259.db2.gz RLFRGZCCNQWHTI-OAHLLOKOSA-N 1 0 230.355 2.439 10 0 BEAERO C[C@H]1CN(c2ccc(F)c(Cl)c2)CC[NH2+]1 ZINC000071533837 132308856 /nfs/dbraw/zinc/30/88/56/132308856.db2.gz YXFWZUYNMBMTKJ-QMMMGPOBSA-N 1 0 228.698 2.277 10 0 BEAERO Cc1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000037483558 132344771 /nfs/dbraw/zinc/34/47/71/132344771.db2.gz FLNCWBXLORVDSE-UHFFFAOYSA-N 1 0 210.708 2.058 10 0 BEAERO CC[N@H+](C)[C@H]1CCN2COCc3cccc1c32 ZINC000005311365 132317360 /nfs/dbraw/zinc/31/73/60/132317360.db2.gz USMVFJXNGMKPFZ-ZDUSSCGKSA-N 1 0 232.327 2.377 10 0 BEAERO Nc1cccc(N2CCc3ccccc3C2)[nH+]1 ZINC000013488066 132321595 /nfs/dbraw/zinc/32/15/95/132321595.db2.gz QDOWQPQWJXJCRA-UHFFFAOYSA-N 1 0 225.295 2.227 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1c1cc[nH+]cc1N ZINC000019763622 132327029 /nfs/dbraw/zinc/32/70/29/132327029.db2.gz UFWQUIMPQFURDL-AOOOYVTPSA-N 1 0 205.305 2.431 10 0 BEAERO C[C@@H]1C[C@H](C)CN(c2ccc(C(N)=[NH2+])cc2)C1 ZINC000019865889 132327982 /nfs/dbraw/zinc/32/79/82/132327982.db2.gz GRFBKFVIQWJFSM-PHIMTYICSA-N 1 0 231.343 2.453 10 0 BEAERO CC(C)(C)[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265166 132330368 /nfs/dbraw/zinc/33/03/68/132330368.db2.gz GDVQXCDMSGITDY-UHFFFAOYSA-N 1 0 233.359 2.189 10 0 BEAERO CCCC[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265404 132330428 /nfs/dbraw/zinc/33/04/28/132330428.db2.gz DBHVTPVJIWDXGZ-UHFFFAOYSA-N 1 0 233.359 2.191 10 0 BEAERO CCCCc1ccccc1N1CC[NH2+]CC1 ZINC000026002752 132333153 /nfs/dbraw/zinc/33/31/53/132333153.db2.gz XJZVCNGBKRTGFO-UHFFFAOYSA-N 1 0 218.344 2.439 10 0 BEAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCOC[C@@H]1C ZINC000035776807 132339401 /nfs/dbraw/zinc/33/94/01/132339401.db2.gz YNUYTOYNVKCVOO-VHSXEESVSA-N 1 0 238.306 2.071 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1C[C@@H](C)OC[C@H]1C ZINC000035786974 132339616 /nfs/dbraw/zinc/33/96/16/132339616.db2.gz QTVAYPQZRSHXET-IJLUTSLNSA-N 1 0 234.343 2.320 10 0 BEAERO C[NH2+]Cc1ccccc1N1C[C@@H](C)OC[C@H]1C ZINC000035788525 132339771 /nfs/dbraw/zinc/33/97/71/132339771.db2.gz SORGNGBJSMBQET-VXGBXAGGSA-N 1 0 234.343 2.020 10 0 BEAERO Cc1ccc(N2CC[NH+](C(C)C)CC2)c(N)c1 ZINC000036170609 132340466 /nfs/dbraw/zinc/34/04/66/132340466.db2.gz VPLLSMAOHMPMOL-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO Cc1cc[nH+]c(N2CCC[C@@H](C)C2)c1N ZINC000036245159 132341363 /nfs/dbraw/zinc/34/13/63/132341363.db2.gz WYWFLVFSQCOQBV-SECBINFHSA-N 1 0 205.305 2.209 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000037090062 132343666 /nfs/dbraw/zinc/34/36/66/132343666.db2.gz BZHKFOXCUQGGBK-STQMWFEESA-N 1 0 248.374 2.081 10 0 BEAERO CSc1cccc(N2CCC([NH3+])CC2)c1 ZINC000037483353 132344498 /nfs/dbraw/zinc/34/44/98/132344498.db2.gz HRNAQTPDISTPGT-UHFFFAOYSA-N 1 0 222.357 2.336 10 0 BEAERO C[C@@]([NH3+])(C(=O)N1CCCc2ccccc21)C1CC1 ZINC000037614347 132345006 /nfs/dbraw/zinc/34/50/06/132345006.db2.gz QKKJEZPPEMFBPI-HNNXBMFYSA-N 1 0 244.338 2.093 10 0 BEAERO Cc1ccc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037918224 132345587 /nfs/dbraw/zinc/34/55/87/132345587.db2.gz CVFBIXSETVRCBM-KBPBESRZSA-N 1 0 245.370 2.358 10 0 BEAERO Cc1cccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000037918367 132345770 /nfs/dbraw/zinc/34/57/70/132345770.db2.gz IJLMEXOFDLVIQK-KGLIPLIRSA-N 1 0 245.370 2.358 10 0 BEAERO C[C@H]1C[NH2+]CCN1c1ccc(Cl)cc1F ZINC000038212920 132346074 /nfs/dbraw/zinc/34/60/74/132346074.db2.gz PZZWVJFHCCPXCR-QMMMGPOBSA-N 1 0 228.698 2.277 10 0 BEAERO Cc1ccc(N2CCC(C[NH+](C)C)CC2)c(N)c1 ZINC000042393004 132351077 /nfs/dbraw/zinc/35/10/77/132351077.db2.gz CHKOPWNDAWABCC-UHFFFAOYSA-N 1 0 247.386 2.355 10 0 BEAERO Fc1ccc(N2CC[NH2+]CC2)cc1C(F)(F)F ZINC000042371357 132351215 /nfs/dbraw/zinc/35/12/15/132351215.db2.gz GRMGTJHSIVCGEW-UHFFFAOYSA-N 1 0 248.223 2.254 10 0 BEAERO CC(C)COc1ccccc1N1CC[NH2+]CC1 ZINC000043461302 132353096 /nfs/dbraw/zinc/35/30/96/132353096.db2.gz PBPUQHQFMXRUIH-UHFFFAOYSA-N 1 0 234.343 2.131 10 0 BEAERO CCOc1ccccc1N1CCC[C@H]([NH3+])C1 ZINC000043470722 132353331 /nfs/dbraw/zinc/35/33/31/132353331.db2.gz LRGDRWUTVHAYSC-NSHDSACASA-N 1 0 220.316 2.013 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(F)c2)[C@@H](C)C1 ZINC000049693969 132356693 /nfs/dbraw/zinc/35/66/93/132356693.db2.gz VSVREHSAVKEKFE-JQWIXIFHSA-N 1 0 222.307 2.402 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1cccc(F)c1 ZINC000049693953 132356714 /nfs/dbraw/zinc/35/67/14/132356714.db2.gz OWOBPEFECWVNLW-MWLCHTKSSA-N 1 0 208.280 2.142 10 0 BEAERO C[NH2+][C@H]1CCN(c2cc(F)ccc2F)C[C@@H]1C ZINC000049707918 132356923 /nfs/dbraw/zinc/35/69/23/132356923.db2.gz OTXUWVFSRFEOEK-CABZTGNLSA-N 1 0 240.297 2.399 10 0 BEAERO COc1ccc(C)cc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049707763 132356953 /nfs/dbraw/zinc/35/69/53/132356953.db2.gz OZSHQUHOGNYXDX-NEPJUHHUSA-N 1 0 234.343 2.177 10 0 BEAERO COc1ccc(C)cc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049707777 132356984 /nfs/dbraw/zinc/35/69/84/132356984.db2.gz HZGIBZSDNWQUKE-NWDGAFQWSA-N 1 0 234.343 2.320 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2F)C[C@H]1C ZINC000049708717 132357217 /nfs/dbraw/zinc/35/72/17/132357217.db2.gz ZCCYFEFEMXLXBG-PWSUYJOCSA-N 1 0 222.307 2.260 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2F)[C@@H](C)C1 ZINC000049708741 132357232 /nfs/dbraw/zinc/35/72/32/132357232.db2.gz RNGVQQFLAAGULC-QWRGUYRKSA-N 1 0 222.307 2.402 10 0 BEAERO Cc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000049708861 132357274 /nfs/dbraw/zinc/35/72/74/132357274.db2.gz XRGIRHGRJAHJBX-QWRGUYRKSA-N 1 0 222.307 2.450 10 0 BEAERO Cc1cccc(N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049709796 132357407 /nfs/dbraw/zinc/35/74/07/132357407.db2.gz ZRQCDSRAZUMEGP-RYUDHWBXSA-N 1 0 204.317 2.311 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1c(F)cccc1F ZINC000049710262 132357652 /nfs/dbraw/zinc/35/76/52/132357652.db2.gz ZQPOUAMFQVXYCF-RKDXNWHRSA-N 1 0 226.270 2.281 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(N(C)C)cc1 ZINC000049711480 132357654 /nfs/dbraw/zinc/35/76/54/132357654.db2.gz QDBHHJFGTHCFNB-VXGBXAGGSA-N 1 0 233.359 2.069 10 0 BEAERO COCc1cccc(N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000049713777 132357877 /nfs/dbraw/zinc/35/78/77/132357877.db2.gz IGQZQBTXRAFRGH-YPMHNXCESA-N 1 0 234.343 2.149 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(COC)c2)[C@H](C)C1 ZINC000049713781 132357883 /nfs/dbraw/zinc/35/78/83/132357883.db2.gz SLZBFENQSHRRSY-OCCSQVGLSA-N 1 0 248.370 2.410 10 0 BEAERO Cc1cc(N2CC[NH+](C(C)C)CC2)ccc1CO ZINC000050582840 132359233 /nfs/dbraw/zinc/35/92/33/132359233.db2.gz HTCRUIYDLWUVMW-UHFFFAOYSA-N 1 0 248.370 2.018 10 0 BEAERO C[C@H]1CCCN(c2ncc(C[NH3+])cc2Cl)C1 ZINC000051396208 132360012 /nfs/dbraw/zinc/36/00/12/132360012.db2.gz OOZMLGYWNTXGIT-VIFPVBQESA-N 1 0 239.750 2.430 10 0 BEAERO C[C@H]1CCCN(c2ccc(Cl)c(C[NH3+])n2)C1 ZINC000051396202 132360047 /nfs/dbraw/zinc/36/00/47/132360047.db2.gz ILIAPUZDTAHFCM-VIFPVBQESA-N 1 0 239.750 2.430 10 0 BEAERO CC[C@H]1CCCCN1c1ccnc(C[NH3+])c1 ZINC000051396657 132360152 /nfs/dbraw/zinc/36/01/52/132360152.db2.gz DASWLLWOWBXEKR-LBPRGKRZSA-N 1 0 219.332 2.309 10 0 BEAERO CC[C@@H]1CCCN(c2cccc(C[NH3+])n2)C1 ZINC000051396971 132360480 /nfs/dbraw/zinc/36/04/80/132360480.db2.gz QZQBAPWKSQXOAL-LLVKDONJSA-N 1 0 219.332 2.167 10 0 BEAERO C[NH2+]C[C@H](C)N1c2ccccc2CC[C@@H]1C ZINC000052416972 132362212 /nfs/dbraw/zinc/36/22/12/132362212.db2.gz XSONBIUDUYLQPQ-RYUDHWBXSA-N 1 0 218.344 2.436 10 0 BEAERO C[NH2+]C[C@H](C)N1CCCc2ccccc21 ZINC000052421408 132362233 /nfs/dbraw/zinc/36/22/33/132362233.db2.gz FEZSADYDZNSWEJ-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCCN1c1ccccn1 ZINC000053699273 132363209 /nfs/dbraw/zinc/36/32/09/132363209.db2.gz DHSITIUPIMJKLI-ZDUSSCGKSA-N 1 0 233.359 2.439 10 0 BEAERO c1ccc(N2CCCC[C@@H]2C[NH2+]C2CC2)nc1 ZINC000053699794 132363238 /nfs/dbraw/zinc/36/32/38/132363238.db2.gz DWCYDICLOOBKRA-CYBMUJFWSA-N 1 0 231.343 2.193 10 0 BEAERO Fc1cccnc1N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000054701006 132364825 /nfs/dbraw/zinc/36/48/25/132364825.db2.gz YPSJKCZAHQKIFF-AAEUAGOBSA-N 1 0 249.333 2.189 10 0 BEAERO COc1ccc(C)cc1N1CC[NH2+]C(C)(C)C1 ZINC000058445782 132368171 /nfs/dbraw/zinc/36/81/71/132368171.db2.gz VUJJHVMLGXKGRW-UHFFFAOYSA-N 1 0 234.343 2.192 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1c1ccc(N(C)C)cc1 ZINC000058449485 132368257 /nfs/dbraw/zinc/36/82/57/132368257.db2.gz PXPSSDUWGDAPLP-GFCCVEGCSA-N 1 0 247.386 2.329 10 0 BEAERO CC1(C)CCN(c2cc[nH+]cc2N)CC1 ZINC000061819243 132387169 /nfs/dbraw/zinc/38/71/69/132387169.db2.gz SUYCPPVFPKLQPN-UHFFFAOYSA-N 1 0 205.305 2.290 10 0 BEAERO Cc1cc(C)cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000071520928 132393100 /nfs/dbraw/zinc/39/31/00/132393100.db2.gz GUWVSWDGYWYDMU-OLZOCXBDSA-N 1 0 218.344 2.490 10 0 BEAERO C[C@H]1CN(c2c(F)cccc2F)[C@@H](C)C[NH2+]1 ZINC000071532814 132393863 /nfs/dbraw/zinc/39/38/63/132393863.db2.gz OWGDIIQFZOJFFN-IUCAKERBSA-N 1 0 226.270 2.151 10 0 BEAERO Cc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c(F)c1 ZINC000083085277 132419960 /nfs/dbraw/zinc/41/99/60/132419960.db2.gz VMHZXTMRMZMMPM-QWRGUYRKSA-N 1 0 222.307 2.321 10 0 BEAERO CC(C)C[C@H]([NH3+])CN1CCN(C)c2ccccc21 ZINC000111464551 132450304 /nfs/dbraw/zinc/45/03/04/132450304.db2.gz BQARKSCJZUKIII-ZDUSSCGKSA-N 1 0 247.386 2.316 10 0 BEAERO CN1C[C@@H]([NH3+])Cc2c(Cl)ccc(Cl)c21 ZINC000083072651 132451910 /nfs/dbraw/zinc/45/19/10/132451910.db2.gz BCVOAFMBNZRUFL-LURJTMIESA-N 1 0 231.126 2.313 10 0 BEAERO CC(C)CC[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000034937573 166866449 /nfs/dbraw/zinc/86/64/49/166866449.db2.gz CKTFENSKDSLICV-CYBMUJFWSA-N 1 0 240.391 2.413 10 0 BEAERO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000082944057 133510959 /nfs/dbraw/zinc/51/09/59/133510959.db2.gz NHMZUALILPJGPG-KLHWPWHYSA-N 1 0 209.333 2.188 10 0 BEAERO Cc1nc(N2CCC[C@@H](C)[C@@H]2C[NH3+])sc1C ZINC000083533147 133526985 /nfs/dbraw/zinc/52/69/85/133526985.db2.gz UVXFREZZZYLDOC-KCJUWKMLSA-N 1 0 239.388 2.324 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CC=CC1 ZINC000336002531 134047799 /nfs/dbraw/zinc/04/77/99/134047799.db2.gz LBNCUEKFHYQLSD-OCCSQVGLSA-N 1 0 248.370 2.038 10 0 BEAERO C[C@H]1C[N@H+](CCC(C)(F)F)CCS1 ZINC000336187442 134121930 /nfs/dbraw/zinc/12/19/30/134121930.db2.gz AUQKVIINOAQSKH-QMMMGPOBSA-N 1 0 209.305 2.469 10 0 BEAERO O[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000217807454 134250756 /nfs/dbraw/zinc/25/07/56/134250756.db2.gz ZXUOUFJZPXLPDE-HZSPNIEDSA-N 1 0 217.312 2.177 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000170872503 134253893 /nfs/dbraw/zinc/25/38/93/134253893.db2.gz WCJSKVMNRNTEEE-ZDUSSCGKSA-N 1 0 248.374 2.371 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000170872502 134254295 /nfs/dbraw/zinc/25/42/95/134254295.db2.gz WCJSKVMNRNTEEE-CYBMUJFWSA-N 1 0 248.374 2.371 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(C)C ZINC000175048863 134284354 /nfs/dbraw/zinc/28/43/54/134284354.db2.gz NCRSKODIOFINOW-QWHCGFSZSA-N 1 0 238.375 2.118 10 0 BEAERO CC(C)=CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177767356 134300028 /nfs/dbraw/zinc/30/00/28/134300028.db2.gz PAGXCEORVJFZDY-CYBMUJFWSA-N 1 0 208.349 2.123 10 0 BEAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccco1)CC2 ZINC000220405417 134305366 /nfs/dbraw/zinc/30/53/66/134305366.db2.gz XKPRMTPTRLGDCI-JSGCOSHPSA-N 1 0 235.327 2.407 10 0 BEAERO Cc1noc([C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000178984859 134314058 /nfs/dbraw/zinc/31/40/58/134314058.db2.gz PRRNOATUGLUXRW-SNVBAGLBSA-N 1 0 221.304 2.110 10 0 BEAERO c1cc(C2CC[NH+](C3CCC3)CC2)n[nH]1 ZINC000178988616 134314061 /nfs/dbraw/zinc/31/40/61/134314061.db2.gz RLBCZJRUINKKLD-UHFFFAOYSA-N 1 0 205.305 2.142 10 0 BEAERO C1CC1c1nnc([C@@H]2CCC[N@@H+](C3CCC3)C2)[nH]1 ZINC000179587784 134322104 /nfs/dbraw/zinc/32/21/04/134322104.db2.gz LPQQENMAGFZDTI-LLVKDONJSA-N 1 0 246.358 2.414 10 0 BEAERO CC[C@@H]([NH3+])CNc1ncnc2c(C)csc21 ZINC000222337309 134328714 /nfs/dbraw/zinc/32/87/14/134328714.db2.gz OZEVLWUHWIHTLF-MRVPVSSYSA-N 1 0 236.344 2.149 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H]1CCSC1 ZINC000224377127 134346373 /nfs/dbraw/zinc/34/63/73/134346373.db2.gz WWMZDIYBTDJMJP-CHWSQXEVSA-N 1 0 244.448 2.305 10 0 BEAERO CC(C)[C@@H]1CC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000226252812 134362193 /nfs/dbraw/zinc/36/21/93/134362193.db2.gz NPINMEJOLINVQG-AGIUHOORSA-N 1 0 211.349 2.268 10 0 BEAERO Cc1cncc(NC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000226400088 134365354 /nfs/dbraw/zinc/36/53/54/134365354.db2.gz VSFNNINOQXFTFU-ZDUSSCGKSA-N 1 0 241.294 2.029 10 0 BEAERO CC(C)=CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000226642692 134368460 /nfs/dbraw/zinc/36/84/60/134368460.db2.gz FHBAIIFNTGAXPE-STQMWFEESA-N 1 0 208.349 2.121 10 0 BEAERO Cc1oncc1CN1CCC([NH+]2CCCC2)CC1 ZINC000185187541 134372523 /nfs/dbraw/zinc/37/25/23/134372523.db2.gz JPPMCJAASMVMGW-UHFFFAOYSA-N 1 0 249.358 2.043 10 0 BEAERO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000185589694 134381836 /nfs/dbraw/zinc/38/18/36/134381836.db2.gz QSLUOQLRIRVVCQ-CMPLNLGQSA-N 1 0 248.374 2.313 10 0 BEAERO Cc1cccc(OCC[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000227572216 134383058 /nfs/dbraw/zinc/38/30/58/134383058.db2.gz KDQLDKGPMHRTNT-CQSZACIVSA-N 1 0 249.354 2.078 10 0 BEAERO CCCn1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000233449417 134564089 /nfs/dbraw/zinc/56/40/89/134564089.db2.gz WKDXGWLJEXPHKB-OCCSQVGLSA-N 1 0 236.359 2.149 10 0 BEAERO CC(C)=CC[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000192314394 134583826 /nfs/dbraw/zinc/58/38/26/134583826.db2.gz KIYNDZKXPIROGP-KBPBESRZSA-N 1 0 217.312 2.201 10 0 BEAERO CSC[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000131538895 134631190 /nfs/dbraw/zinc/63/11/90/134631190.db2.gz UVXCWKYYIUYOLL-DTWKUNHWSA-N 1 0 205.392 2.223 10 0 BEAERO C[C@@H]([NH2+]Cc1cncnc1)c1cccc(O)c1 ZINC000054767837 134769664 /nfs/dbraw/zinc/76/96/64/134769664.db2.gz DUQGRNIKGAKDSH-SNVBAGLBSA-N 1 0 229.283 2.033 10 0 BEAERO CCCCCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000060894086 134795383 /nfs/dbraw/zinc/79/53/83/134795383.db2.gz IBXBALUHYMIFCZ-LBPRGKRZSA-N 1 0 243.395 2.206 10 0 BEAERO CCC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000195501484 134842802 /nfs/dbraw/zinc/84/28/02/134842802.db2.gz ZQMQXKVIMXXRPS-UHFFFAOYSA-N 1 0 221.348 2.492 10 0 BEAERO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c[nH]1 ZINC000245774273 134866494 /nfs/dbraw/zinc/86/64/94/134866494.db2.gz GXMHHDTXVTXYNV-YNEHKIRRSA-N 1 0 232.327 2.062 10 0 BEAERO Cn1cccc1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245987901 134873673 /nfs/dbraw/zinc/87/36/73/134873673.db2.gz FOHVUZPGEZELQT-BFHYXJOUSA-N 1 0 234.343 2.072 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ncnc2ccsc21 ZINC000070010476 134906275 /nfs/dbraw/zinc/90/62/75/134906275.db2.gz BGKZFVIPHPNQDK-QMMMGPOBSA-N 1 0 236.344 2.087 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cn2cccn2)C1 ZINC000070643249 134922252 /nfs/dbraw/zinc/92/22/52/134922252.db2.gz KVHRINWPUVAAKD-XQQFMLRXSA-N 1 0 221.348 2.440 10 0 BEAERO CC[C@H](C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000248374309 135000092 /nfs/dbraw/zinc/00/00/92/135000092.db2.gz PJEYCELSAPLFIZ-STQMWFEESA-N 1 0 248.374 2.176 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000070643461 135001177 /nfs/dbraw/zinc/00/11/77/135001177.db2.gz IQDMWKWRBCJLMN-ZYHUDNBSSA-N 1 0 207.321 2.386 10 0 BEAERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C1CCCC1 ZINC000248769916 135021696 /nfs/dbraw/zinc/02/16/96/135021696.db2.gz AFTXRHGFGDMMJV-UHTWSYAYSA-N 1 0 237.343 2.203 10 0 BEAERO CSC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000249434929 135038856 /nfs/dbraw/zinc/03/88/56/135038856.db2.gz ICSDNOPPHMSMBD-QWRGUYRKSA-N 1 0 241.356 2.140 10 0 BEAERO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000249492155 135040186 /nfs/dbraw/zinc/04/01/86/135040186.db2.gz ZVTFWQCZOGUEOU-YNEHKIRRSA-N 1 0 243.391 2.283 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccncc2)C1 ZINC000249612896 135042377 /nfs/dbraw/zinc/04/23/77/135042377.db2.gz GGYBWYPDJLFNRU-OCCSQVGLSA-N 1 0 233.359 2.217 10 0 BEAERO c1ccc2oc(N3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000249730335 135044205 /nfs/dbraw/zinc/04/42/05/135044205.db2.gz SPAYTAIOGBTFKG-NSHDSACASA-N 1 0 243.310 2.112 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1ncncc1Cl ZINC000163694175 135049121 /nfs/dbraw/zinc/04/91/21/135049121.db2.gz HYGQDLUGCUBGMV-MRVPVSSYSA-N 1 0 228.727 2.059 10 0 BEAERO CCC(CC)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000163694555 135049929 /nfs/dbraw/zinc/04/99/29/135049929.db2.gz CXPGJYUSVNFWMY-CYBMUJFWSA-N 1 0 226.364 2.071 10 0 BEAERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cn1 ZINC000250915381 135061272 /nfs/dbraw/zinc/06/12/72/135061272.db2.gz GQDRMGMLCNLDNG-HIFRSBDPSA-N 1 0 245.370 2.059 10 0 BEAERO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000251080481 135063188 /nfs/dbraw/zinc/06/31/88/135063188.db2.gz HPFQQJOAIZPGPX-AAEUAGOBSA-N 1 0 239.359 2.450 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nnc3n2CCC3)C1 ZINC000251772866 135077092 /nfs/dbraw/zinc/07/70/92/135077092.db2.gz WDNSBQPYMYLMRW-UTUOFQBUSA-N 1 0 248.374 2.454 10 0 BEAERO C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)(C)C ZINC000251755482 135077107 /nfs/dbraw/zinc/07/71/07/135077107.db2.gz LNGURUDCQJUIMV-GRYCIOLGSA-N 1 0 240.391 2.173 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(CC)C1 ZINC000251863873 135080216 /nfs/dbraw/zinc/08/02/16/135080216.db2.gz OUHDEXDCASUPAF-XQQFMLRXSA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@@H]([NH3+])CNc1ncc(Cl)cc1F ZINC000086711265 135094900 /nfs/dbraw/zinc/09/49/00/135094900.db2.gz GNERDGPLNLFUFZ-SSDOTTSWSA-N 1 0 217.675 2.023 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)C1 ZINC000252708745 135098035 /nfs/dbraw/zinc/09/80/35/135098035.db2.gz AZKADPNLHIDCJF-UTUOFQBUSA-N 1 0 240.391 2.458 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)C1 ZINC000252708744 135098217 /nfs/dbraw/zinc/09/82/17/135098217.db2.gz AZKADPNLHIDCJF-IJLUTSLNSA-N 1 0 240.391 2.458 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000252705537 135098548 /nfs/dbraw/zinc/09/85/48/135098548.db2.gz QOFAYWOIHOVWLO-FVCCEPFGSA-N 1 0 209.333 2.022 10 0 BEAERO C[C@H](CCC1CCCCC1)NC(=O)C1C[NH2+]C1 ZINC000262275609 135118059 /nfs/dbraw/zinc/11/80/59/135118059.db2.gz UUJBBXSXHHCWPL-LLVKDONJSA-N 1 0 238.375 2.071 10 0 BEAERO COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253091485 135120928 /nfs/dbraw/zinc/12/09/28/135120928.db2.gz JSXXUANYUQVUPY-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253091483 135121087 /nfs/dbraw/zinc/12/10/87/135121087.db2.gz JSXXUANYUQVUPY-MCIONIFRSA-N 1 0 241.375 2.038 10 0 BEAERO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H]2CCCO)O1 ZINC000253123960 135122144 /nfs/dbraw/zinc/12/21/44/135122144.db2.gz PCYCPJVSBUBKPC-STQMWFEESA-N 1 0 241.375 2.181 10 0 BEAERO Cc1cnccc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000253174047 135123294 /nfs/dbraw/zinc/12/32/94/135123294.db2.gz CWZUFOHNLKJDDW-HIFRSBDPSA-N 1 0 245.370 2.059 10 0 BEAERO CC1(C)CN(Cc2ccccc2F)CC[C@@H]1[NH3+] ZINC000258795018 135133989 /nfs/dbraw/zinc/13/39/89/135133989.db2.gz MVEVIIHYXKTQES-ZDUSSCGKSA-N 1 0 236.334 2.385 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccccc1 ZINC000257692783 135139372 /nfs/dbraw/zinc/13/93/72/135139372.db2.gz MLOOQCSDXUFJRB-CYBMUJFWSA-N 1 0 246.354 2.083 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1C)C(N)=O ZINC000264898275 135141238 /nfs/dbraw/zinc/14/12/38/135141238.db2.gz VGTBPKKMYZCGST-AAEUAGOBSA-N 1 0 234.343 2.218 10 0 BEAERO Cc1ccccc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259272012 135142767 /nfs/dbraw/zinc/14/27/67/135142767.db2.gz USIMIBHFXZECJZ-CYBMUJFWSA-N 1 0 246.354 2.194 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)cs1 ZINC000261527971 135153039 /nfs/dbraw/zinc/15/30/39/135153039.db2.gz IGZKLFLHDQUMMP-XCBNKYQSSA-N 1 0 230.764 2.323 10 0 BEAERO C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538279 135175867 /nfs/dbraw/zinc/17/58/67/135175867.db2.gz VCIOJOMDSVQUED-NWDGAFQWSA-N 1 0 246.345 2.353 10 0 BEAERO C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000261538283 135175899 /nfs/dbraw/zinc/17/58/99/135175899.db2.gz VCIOJOMDSVQUED-VXGBXAGGSA-N 1 0 246.345 2.353 10 0 BEAERO C[C@H]1CCN(Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000261541941 135181593 /nfs/dbraw/zinc/18/15/93/135181593.db2.gz MTWYKUKJOALOHN-AAEUAGOBSA-N 1 0 236.334 2.385 10 0 BEAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000261543657 135184819 /nfs/dbraw/zinc/18/48/19/135184819.db2.gz DDPCMJAFYJYABG-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO CC[C@H](NCC(C)(C)[NH3+])c1ccccc1OC ZINC000261560769 135201972 /nfs/dbraw/zinc/20/19/72/135201972.db2.gz UVMOMIZITCLCEH-LBPRGKRZSA-N 1 0 236.359 2.473 10 0 BEAERO C[C@@H](C(=O)N(C)C1CCCCCC1)C1C[NH2+]C1 ZINC000163897650 135209454 /nfs/dbraw/zinc/20/94/54/135209454.db2.gz BIHMDRDDLROGDZ-LLVKDONJSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H](C(=O)N(C)C1CCCCCC1)C1C[NH2+]C1 ZINC000163897543 135209915 /nfs/dbraw/zinc/20/99/15/135209915.db2.gz BIHMDRDDLROGDZ-NSHDSACASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nccc(C(C)(C)C)n1 ZINC000261574184 135215804 /nfs/dbraw/zinc/21/58/04/135215804.db2.gz MMZSIGXFNUURDI-WDEREUQCSA-N 1 0 248.374 2.327 10 0 BEAERO C[C@H](C[S@](C)=O)[NH2+]CC1CCC(C)CC1 ZINC000164292932 135218136 /nfs/dbraw/zinc/21/81/36/135218136.db2.gz YPDDQYYSYWGIOD-KBMVZVDUSA-N 1 0 231.405 2.169 10 0 BEAERO CCC[C@@](C)([NH3+])C(=O)Nc1ccc2c(c1)COC2 ZINC000261577471 135218907 /nfs/dbraw/zinc/21/89/07/135218907.db2.gz OKBSVWACLIQDCS-CQSZACIVSA-N 1 0 248.326 2.173 10 0 BEAERO CC1(C)CN(c2nccc3occc32)CC[C@@H]1[NH3+] ZINC000261578818 135219554 /nfs/dbraw/zinc/21/95/54/135219554.db2.gz PDYNQDMLBHGACV-LBPRGKRZSA-N 1 0 245.326 2.391 10 0 BEAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC000261704414 135246735 /nfs/dbraw/zinc/24/67/35/135246735.db2.gz JLAZDILIHPZGAV-NEPJUHHUSA-N 1 0 240.391 2.317 10 0 BEAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C(C)(C)C1 ZINC000261763043 135250411 /nfs/dbraw/zinc/25/04/11/135250411.db2.gz NQYXUZFWZYJMKY-QJPTWQEYSA-N 1 0 238.375 2.008 10 0 BEAERO CC(C)N(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000261877399 135259274 /nfs/dbraw/zinc/25/92/74/135259274.db2.gz YQEJFHLHTBLJDX-DGCLKSJQSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)C(C)(C)C ZINC000262039136 135274805 /nfs/dbraw/zinc/27/48/05/135274805.db2.gz QAZLYKMGWNOMDI-MNOVXSKESA-N 1 0 240.391 2.254 10 0 BEAERO NC(=[NH2+])NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000262133615 135280627 /nfs/dbraw/zinc/28/06/27/135280627.db2.gz LCYQQFXBMCGRJE-UHFFFAOYSA-N 1 0 241.697 2.208 10 0 BEAERO CC(C)CCC[C@@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164436219 135287048 /nfs/dbraw/zinc/28/70/48/135287048.db2.gz CXYPWBUXHLVWBC-NEPJUHHUSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@H](CC1CC1)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263184213 135338008 /nfs/dbraw/zinc/33/80/08/135338008.db2.gz HDAVMIAIVVBPCR-OSMZGAPFSA-N 1 0 238.375 2.199 10 0 BEAERO CCCn1ccc(C[NH2+][C@H](C)C[C@H](C)O)c1 ZINC000164533107 135390963 /nfs/dbraw/zinc/39/09/63/135390963.db2.gz OOYONCBRRGRIDL-NEPJUHHUSA-N 1 0 224.348 2.147 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ccc(Cl)cn1 ZINC000087362293 135505507 /nfs/dbraw/zinc/50/55/07/135505507.db2.gz NBPQOJFCWNKDRT-QMMMGPOBSA-N 1 0 213.712 2.274 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089461258 135536010 /nfs/dbraw/zinc/53/60/10/135536010.db2.gz FUBDGFWVNOLVTM-TZMCWYRMSA-N 1 0 246.354 2.333 10 0 BEAERO CCC1CCC(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089747224 135540994 /nfs/dbraw/zinc/54/09/94/135540994.db2.gz SCECVOYPDHWPNX-OTTFEQOBSA-N 1 0 238.375 2.071 10 0 BEAERO COc1ccc2c(c1)[C@](O)(C[NH2+]C(C)C)CCC2 ZINC000092389194 135575158 /nfs/dbraw/zinc/57/51/58/135575158.db2.gz XKYWMIMFTCTVFM-OAHLLOKOSA-N 1 0 249.354 2.217 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000093963516 135609192 /nfs/dbraw/zinc/60/91/92/135609192.db2.gz CWDLLPFZFAAFOV-MWLCHTKSSA-N 1 0 221.348 2.216 10 0 BEAERO Cc1nc(C[NH2+]C2C3CC4CC(C3)CC2C4)no1 ZINC000231771595 135634721 /nfs/dbraw/zinc/63/47/21/135634721.db2.gz AGHLYGZTMUFZHM-UHFFFAOYSA-N 1 0 247.342 2.292 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1c1nc(C(C)(C)C)no1 ZINC000334817791 135832163 /nfs/dbraw/zinc/83/21/63/135832163.db2.gz JPCHNWMYTUMBDN-RKDXNWHRSA-N 1 0 223.320 2.223 10 0 BEAERO CC(C)c1cnc(N2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000335294148 136005621 /nfs/dbraw/zinc/00/56/21/136005621.db2.gz AGBIHFJDXSZGGE-NXEZZACHSA-N 1 0 239.388 2.440 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]CCCn2ccnc2C)o1 ZINC000348364492 136073103 /nfs/dbraw/zinc/07/31/03/136073103.db2.gz YNFRARAWWGPJJL-NSHDSACASA-N 1 0 248.330 2.229 10 0 BEAERO C[C@@H]1CCC[C@H](C)[N@H+](CCC2(O)CC2)C1 ZINC000335375037 136085231 /nfs/dbraw/zinc/08/52/31/136085231.db2.gz VPKARLOILRQOBE-NEPJUHHUSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)CCOC[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052624777 166877019 /nfs/dbraw/zinc/87/70/19/166877019.db2.gz BBCWMWCEUDGYOL-UONOGXRCSA-N 1 0 241.375 2.349 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC(c2ccccc2)CC1 ZINC000054074934 322855248 /nfs/dbraw/zinc/85/52/48/322855248.db2.gz GPVRQACHFRYLOD-GFCCVEGCSA-N 1 0 246.354 2.001 10 0 BEAERO CCCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+]C ZINC000054072514 322855303 /nfs/dbraw/zinc/85/53/03/322855303.db2.gz HFBFSZBNNBOPDE-GFCCVEGCSA-N 1 0 234.343 2.033 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000055421580 322857233 /nfs/dbraw/zinc/85/72/33/322857233.db2.gz GLRXTPKILLTTKZ-SSDOTTSWSA-N 1 0 246.232 2.252 10 0 BEAERO [NH3+]CCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000062152823 397734957 /nfs/dbraw/zinc/73/49/57/397734957.db2.gz RHGJMUALZRVXCO-UHFFFAOYSA-N 1 0 229.205 2.083 10 0 BEAERO CCOc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1 ZINC000295118448 397758270 /nfs/dbraw/zinc/75/82/70/397758270.db2.gz WZNLNGUIVHYVLL-IUODEOHRSA-N 1 0 249.354 2.431 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+]Cc1ncc[nH]1 ZINC000174619637 397765173 /nfs/dbraw/zinc/76/51/73/397765173.db2.gz ASJVOXMYVRMMIJ-GFCCVEGCSA-N 1 0 245.326 2.105 10 0 BEAERO COc1ccc([C@H](C)C[NH2+]CC(C)(C)O)cc1 ZINC000182216697 397861160 /nfs/dbraw/zinc/86/11/60/397861160.db2.gz USZHFCJVJZNUEA-LLVKDONJSA-N 1 0 237.343 2.159 10 0 BEAERO CC[C@H]([NH2+]CC(=O)N(CC)CC)C(C)(C)C ZINC000309846713 397869826 /nfs/dbraw/zinc/86/98/26/397869826.db2.gz GXHIRFCJOKEDEA-NSHDSACASA-N 1 0 228.380 2.269 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(O)c(F)c1 ZINC000020551074 397966754 /nfs/dbraw/zinc/96/67/54/397966754.db2.gz ZCXJXOMGGOGZHR-GXSJLCMTSA-N 1 0 239.290 2.361 10 0 BEAERO CCOC(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000259579148 397960250 /nfs/dbraw/zinc/96/02/50/397960250.db2.gz UGHPCBUMEPQBJR-ZDUSSCGKSA-N 1 0 233.311 2.330 10 0 BEAERO CC1(C)CC[C@H](C[N@@H+]2CCCC[C@@H](CO)C2)O1 ZINC000364316033 397892755 /nfs/dbraw/zinc/89/27/55/397892755.db2.gz QYXXXYZTLMALFT-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)[C@@H](c1nc(-c2cccnc2)no1)[C@H](C)[NH3+] ZINC000109495166 397897883 /nfs/dbraw/zinc/89/78/83/397897883.db2.gz MZJMGDDXQLIDDM-GXSJLCMTSA-N 1 0 246.314 2.218 10 0 BEAERO [NH3+]C1(Cc2ccsc2Cl)CSC1 ZINC000575467387 397992246 /nfs/dbraw/zinc/99/22/46/397992246.db2.gz RGCOQSDBPZCVSA-UHFFFAOYSA-N 1 0 219.762 2.388 10 0 BEAERO Cc1cc(C2([NH3+])CCC2)ncc1Br ZINC000307168454 397999604 /nfs/dbraw/zinc/99/96/04/397999604.db2.gz VCSRUBWPTWOXMX-UHFFFAOYSA-N 1 0 241.132 2.490 10 0 BEAERO C[C@@H]([NH2+]CCCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000564826236 398045641 /nfs/dbraw/zinc/04/56/41/398045641.db2.gz HPDUFYKOJLAGFN-DGCLKSJQSA-N 1 0 210.365 2.154 10 0 BEAERO Cc1c(Br)cccc1NCC[NH3+] ZINC000307175036 398005108 /nfs/dbraw/zinc/00/51/08/398005108.db2.gz VGKOJLSYHHIENB-UHFFFAOYSA-N 1 0 229.121 2.128 10 0 BEAERO CCOC[C@@]1(C)[NH2+]CCc2sccc21 ZINC000306662687 398016741 /nfs/dbraw/zinc/01/67/41/398016741.db2.gz UNKBNJFUHYXREE-LLVKDONJSA-N 1 0 211.330 2.146 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000054073313 398024965 /nfs/dbraw/zinc/02/49/65/398024965.db2.gz QAFTYVZAWSCIOB-YPMHNXCESA-N 1 0 234.343 2.108 10 0 BEAERO C[C@@H](CCc1ccco1)[NH2+]Cc1nccn1C ZINC000042225521 398030549 /nfs/dbraw/zinc/03/05/49/398030549.db2.gz CLVVSLNJESGAJQ-NSHDSACASA-N 1 0 233.315 2.124 10 0 BEAERO CCCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000334794657 398037006 /nfs/dbraw/zinc/03/70/06/398037006.db2.gz CRSIGNOZTXMFBB-NEPJUHHUSA-N 1 0 209.333 2.287 10 0 BEAERO Cn1c(Cl)ncc1[C@H]([NH3+])C(C)(C)C ZINC000575509344 397969572 /nfs/dbraw/zinc/96/95/72/397969572.db2.gz WYIOSJRRPYAESW-ZETCQYMHSA-N 1 0 201.701 2.119 10 0 BEAERO C[C@](F)(c1cncs1)[C@@H]1CCC[NH2+]1 ZINC000575518983 397975611 /nfs/dbraw/zinc/97/56/11/397975611.db2.gz XQLWSWXMZFACHG-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO Cc1cc(C(=O)[C@@H]2CCC[C@H]2C[NH3+])sn1 ZINC000307118190 397980272 /nfs/dbraw/zinc/98/02/72/397980272.db2.gz WJYLAQLRCLYEME-DTWKUNHWSA-N 1 0 224.329 2.009 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2ccc(Br)cc2)C1 ZINC000575466049 397987380 /nfs/dbraw/zinc/98/73/80/397987380.db2.gz YYIGKTXEHHLNOZ-UWVGGRQHSA-N 1 0 242.116 2.238 10 0 BEAERO C[NH2+][C@@H](C)C(=O)c1ccc(C)c(Cl)c1 ZINC000231995776 397988202 /nfs/dbraw/zinc/98/82/02/397988202.db2.gz JIFQPFSGWLLHPP-QMMMGPOBSA-N 1 0 211.692 2.439 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2ccn(C)c2)C[C@@H](C)O1 ZINC000282106416 398066131 /nfs/dbraw/zinc/06/61/31/398066131.db2.gz DMGRASQIYPIPAB-VXGBXAGGSA-N 1 0 236.359 2.318 10 0 BEAERO C[N@@H+]1CCC[C@H](COC(=O)c2cccs2)C1 ZINC000584659807 398083279 /nfs/dbraw/zinc/08/32/79/398083279.db2.gz XTLQCXVJLZYRCJ-JTQLQIEISA-N 1 0 239.340 2.247 10 0 BEAERO c1cnn(CC[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116291733 398090197 /nfs/dbraw/zinc/09/01/97/398090197.db2.gz OTAOOEFELKNKAX-LBPRGKRZSA-N 1 0 231.299 2.313 10 0 BEAERO CC(C)=CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052489 398100379 /nfs/dbraw/zinc/10/03/79/398100379.db2.gz RQQZEMRYZNQKAX-UHFFFAOYSA-N 1 0 230.311 2.237 10 0 BEAERO CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000122073634 171274827 /nfs/dbraw/zinc/27/48/27/171274827.db2.gz CZETXKOTKWDPAU-YNEHKIRRSA-N 1 0 212.381 2.447 10 0 BEAERO CNC(=[NH2+])c1ccc(C)cc1Br ZINC000234350838 398124313 /nfs/dbraw/zinc/12/43/13/398124313.db2.gz JMPSASBGWCJULD-UHFFFAOYSA-N 1 0 227.105 2.302 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc(OC)s1 ZINC000389738862 398131073 /nfs/dbraw/zinc/13/10/73/398131073.db2.gz VFNILYXJJLULSH-WPRPVWTQSA-N 1 0 226.345 2.430 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCC1(O)CCC1 ZINC000397730531 398122101 /nfs/dbraw/zinc/12/21/01/398122101.db2.gz FICAYPOAIHONLJ-ZDUSSCGKSA-N 1 0 247.338 2.274 10 0 BEAERO CC(C)C[NH2+]C[C@H](Cc1cnn(C)c1)C(C)C ZINC000052972763 167006199 /nfs/dbraw/zinc/00/61/99/167006199.db2.gz SQQFRIRIWYDHNP-AWEZNQCLSA-N 1 0 237.391 2.480 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCc2ccccc2)C1 ZINC000401970748 533674728 /nfs/dbraw/zinc/67/47/28/533674728.db2.gz ZIUTZZINTNOHSZ-UKRRQHHQSA-N 1 0 233.355 2.322 10 0 BEAERO CC(C)COC(=O)N(C)CCC1CC[NH2+]CC1 ZINC000048259924 167020167 /nfs/dbraw/zinc/02/01/67/167020167.db2.gz KKGZTKDYVMAHTL-UHFFFAOYSA-N 1 0 242.363 2.101 10 0 BEAERO Cc1c(C[NH2+]C(C)(C)C2CCC2)cnn1C ZINC000398123187 322864954 /nfs/dbraw/zinc/86/49/54/322864954.db2.gz RTXPIBZGUSUZAV-UHFFFAOYSA-N 1 0 221.348 2.397 10 0 BEAERO CC(C)NC(=O)[C@H](CCC[NH3+])C1CCCCC1 ZINC000076622484 167084327 /nfs/dbraw/zinc/08/43/27/167084327.db2.gz OOJZYFNEJSNPQD-CYBMUJFWSA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)[NH2+]CCCC(=O)Nc1ccc(O)cc1 ZINC000037634673 167103171 /nfs/dbraw/zinc/10/31/71/167103171.db2.gz OOXOAKIEAVWDHX-UHFFFAOYSA-N 1 0 236.315 2.109 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCCN1C(F)(F)F ZINC000095088484 167115451 /nfs/dbraw/zinc/11/54/51/167115451.db2.gz HRKLIQHQVQHJAE-SECBINFHSA-N 1 0 224.270 2.359 10 0 BEAERO CC(C)[NH2+][C@@H](C)[C@@H](O)c1ccc(F)c(F)c1 ZINC000071533962 167131437 /nfs/dbraw/zinc/13/14/37/167131437.db2.gz PHFNDPNHOQNOKS-QPUJVOFHSA-N 1 0 229.270 2.385 10 0 BEAERO CC(C)[NH2+][C@@H](CN)c1ccc(OC(F)F)cc1 ZINC000050270786 167133018 /nfs/dbraw/zinc/13/30/18/167133018.db2.gz HIFNDHOONVHYAO-NSHDSACASA-N 1 0 244.285 2.286 10 0 BEAERO CC(C)[NH2+][C@H](C)[C@H](O)c1ccc(F)c(F)c1 ZINC000071533961 167138533 /nfs/dbraw/zinc/13/85/33/167138533.db2.gz PHFNDPNHOQNOKS-PELKAZGASA-N 1 0 229.270 2.385 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CC=CCC1 ZINC000227891555 487562494 /nfs/dbraw/zinc/56/24/94/487562494.db2.gz WEXVMMWWWJKOII-KBPBESRZSA-N 1 0 241.375 2.110 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CC)[C@@H](C)CC ZINC000227905442 487564634 /nfs/dbraw/zinc/56/46/34/487564634.db2.gz XELFYEMNPINLHV-QWHCGFSZSA-N 1 0 231.380 2.284 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ncnc2ccccc21 ZINC000094948148 487565255 /nfs/dbraw/zinc/56/52/55/487565255.db2.gz ZFFZGWCZTKRHCJ-JTQLQIEISA-N 1 0 230.315 2.169 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122220 487609973 /nfs/dbraw/zinc/60/99/73/487609973.db2.gz KHJPYHQMQMKJGL-TUAOUCFPSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@H]1CC(C)(C)C[C@]1([NH3+])C(=O)OC(C)(C)C ZINC000521400302 487611008 /nfs/dbraw/zinc/61/10/08/487611008.db2.gz DTLQHSDBHQTSBR-TVQRCGJNSA-N 1 0 227.348 2.482 10 0 BEAERO CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000660758626 409718098 /nfs/dbraw/zinc/71/80/98/409718098.db2.gz UYHVWFPDPVOZDC-MXWKQRLJSA-N 1 0 235.318 2.371 10 0 BEAERO CNC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000044988250 409871859 /nfs/dbraw/zinc/87/18/59/409871859.db2.gz RVSSSEFYTAQJLE-LBPRGKRZSA-N 1 0 234.343 2.090 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000308946167 409965402 /nfs/dbraw/zinc/96/54/02/409965402.db2.gz WFXIMQAVEXQWHZ-AGIUHOORSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000308946169 409966336 /nfs/dbraw/zinc/96/63/36/409966336.db2.gz WFXIMQAVEXQWHZ-JHJVBQTASA-N 1 0 211.349 2.412 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](CC)CC[C@@H]1C ZINC000662890612 409968351 /nfs/dbraw/zinc/96/83/51/409968351.db2.gz YDOTVHLITQLLHZ-ZDEQEGDKSA-N 1 0 240.391 2.397 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000082413868 487612558 /nfs/dbraw/zinc/61/25/58/487612558.db2.gz XEMWEZRUPFQHHY-IVZWLZJFSA-N 1 0 237.265 2.174 10 0 BEAERO C1CC1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CO1 ZINC000668277377 487613180 /nfs/dbraw/zinc/61/31/80/487613180.db2.gz GEDIJFFXCLITPT-HTOAHKCRSA-N 1 0 221.344 2.332 10 0 BEAERO Brc1cc([C@@H]2CCC[NH2+]2)ccn1 ZINC000072193277 166096638 /nfs/dbraw/zinc/09/66/38/166096638.db2.gz BBKBTYYOQXHMRU-QMMMGPOBSA-N 1 0 227.105 2.269 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1ncnc2c(C)csc21 ZINC000663278825 410094412 /nfs/dbraw/zinc/09/44/12/410094412.db2.gz MKXXORVXMXPACU-MRVPVSSYSA-N 1 0 236.344 2.020 10 0 BEAERO Brc1ccc(C2C[NH2+]C2)s1 ZINC000071520400 166097445 /nfs/dbraw/zinc/09/74/45/166097445.db2.gz ONAIRDFWRYNKCO-UHFFFAOYSA-N 1 0 218.119 2.197 10 0 BEAERO Brc1ccc([C@H]2CC[NH2+]2)cc1 ZINC000083967872 166099390 /nfs/dbraw/zinc/09/93/90/166099390.db2.gz KJWNZTPBMDNIPA-SECBINFHSA-N 1 0 212.090 2.484 10 0 BEAERO Brc1ccc([C@@H]2CCC[NH2+]C2)cn1 ZINC000095828447 166100349 /nfs/dbraw/zinc/10/03/49/166100349.db2.gz MUFMSXWQFMBZST-MRVPVSSYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000072193311 166100721 /nfs/dbraw/zinc/10/07/21/166100721.db2.gz OXMSTXNPMORHBL-ZETCQYMHSA-N 1 0 227.105 2.269 10 0 BEAERO Brc1cccc([C@@H]2C[NH2+]CO2)c1 ZINC000071533574 166101646 /nfs/dbraw/zinc/10/16/46/166101646.db2.gz JKIVUDSWBZXIJR-VIFPVBQESA-N 1 0 228.089 2.068 10 0 BEAERO Brc1cnccc1[C@H]1CCC[NH2+]1 ZINC000095935300 166105938 /nfs/dbraw/zinc/10/59/38/166105938.db2.gz VWPGNPBOZYYNOW-SECBINFHSA-N 1 0 227.105 2.269 10 0 BEAERO Brc1csc([C@H]2C[NH2+]CCO2)c1 ZINC000071562665 166106898 /nfs/dbraw/zinc/10/68/98/166106898.db2.gz SHDVYRHLIPBJQY-SSDOTTSWSA-N 1 0 248.145 2.172 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661204314 410341330 /nfs/dbraw/zinc/34/13/30/410341330.db2.gz HYATVBPRSMDOAP-XQHKEYJVSA-N 1 0 211.349 2.124 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000128876985 410364853 /nfs/dbraw/zinc/36/48/53/410364853.db2.gz HEUJRHWINFYUQD-TUAOUCFPSA-N 1 0 226.364 2.149 10 0 BEAERO CCN(CC)C(=O)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000037752331 169746379 /nfs/dbraw/zinc/74/63/79/169746379.db2.gz IPCFMKLWYDABNP-OLZOCXBDSA-N 1 0 240.391 2.413 10 0 BEAERO CCN(CC)C(=[NH2+])c1ccc(OC)c(OC)c1 ZINC000062995296 169744288 /nfs/dbraw/zinc/74/42/88/169744288.db2.gz YUPGMTZXERWTRT-UHFFFAOYSA-N 1 0 236.315 2.371 10 0 BEAERO CCN(CC)C(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339509664 169755833 /nfs/dbraw/zinc/75/58/33/169755833.db2.gz UDEFXAQYGUWSCZ-LLVKDONJSA-N 1 0 226.364 2.022 10 0 BEAERO CC(C)(C)C(=O)N(CCC[NH3+])c1ccccc1 ZINC000020232288 166524532 /nfs/dbraw/zinc/52/45/32/166524532.db2.gz XZFGDQOFBJPKDG-UHFFFAOYSA-N 1 0 234.343 2.415 10 0 BEAERO CC(C)(C)C1CCN(C(=[NH2+])NC2CC2)CC1 ZINC000052040278 166544212 /nfs/dbraw/zinc/54/42/12/166544212.db2.gz WRCJMQGKTVGVLC-UHFFFAOYSA-N 1 0 223.364 2.431 10 0 BEAERO CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000037044432 166552502 /nfs/dbraw/zinc/55/25/02/166552502.db2.gz SMUXHEZAADHMCI-JTQLQIEISA-N 1 0 226.364 2.069 10 0 BEAERO CC(C)(C)CC[NH2+][C@@H]1CCc2nccn2C1 ZINC000372468347 166572241 /nfs/dbraw/zinc/57/22/41/166572241.db2.gz FWPCHIAMRHIVKM-LLVKDONJSA-N 1 0 221.348 2.224 10 0 BEAERO CC(C)(C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2C[NH2+]1 ZINC000004977585 166626367 /nfs/dbraw/zinc/62/63/67/166626367.db2.gz UPZBXVBPICTBDP-QJPTWQEYSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)(C)OC(=O)Nc1cccc(C(N)=[NH2+])c1 ZINC000070660008 166669789 /nfs/dbraw/zinc/66/97/89/166669789.db2.gz ILIIYSKVNCKUKU-UHFFFAOYSA-N 1 0 235.287 2.318 10 0 BEAERO CC(C)C(=O)N(CCC[NH3+])C1CCCCC1 ZINC000036883428 166704934 /nfs/dbraw/zinc/70/49/34/166704934.db2.gz OFEFJLCKOCCEDG-UHFFFAOYSA-N 1 0 226.364 2.153 10 0 BEAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000037142646 166706790 /nfs/dbraw/zinc/70/67/90/166706790.db2.gz HKVYWJVQWRFURL-NSHDSACASA-N 1 0 238.375 2.022 10 0 BEAERO CC(C)C(=O)N1c2cc(C[NH3+])ccc2C[C@@H]1C ZINC000049456046 166714422 /nfs/dbraw/zinc/71/44/22/166714422.db2.gz HPACKABCUGPEHK-JTQLQIEISA-N 1 0 232.327 2.079 10 0 BEAERO CC(C)CCCNC(=O)[C@@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000062098546 166809611 /nfs/dbraw/zinc/80/96/11/166809611.db2.gz MCZHRDVSZDVEOF-XQQFMLRXSA-N 1 0 240.391 2.302 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCCC2(F)F)C[C@H]1[NH3+] ZINC000394497168 410803144 /nfs/dbraw/zinc/80/31/44/410803144.db2.gz INFLILMPIHKFKI-GMTAPVOTSA-N 1 0 232.318 2.091 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCCC2(F)F)C[C@@H]1[NH3+] ZINC000394497171 410803239 /nfs/dbraw/zinc/80/32/39/410803239.db2.gz INFLILMPIHKFKI-MXWKQRLJSA-N 1 0 232.318 2.091 10 0 BEAERO C[NH2+][C@@H]1CCCN(C[C@H]2CCCCC2(F)F)C1 ZINC000394512569 410805941 /nfs/dbraw/zinc/80/59/41/410805941.db2.gz OXTMPAMNCWSEQY-VXGBXAGGSA-N 1 0 246.345 2.496 10 0 BEAERO CC(C)CCNC(=O)CC[NH+]1CCCCC1 ZINC000001914754 166845222 /nfs/dbraw/zinc/84/52/22/166845222.db2.gz YCCWAIUWXIKPLU-UHFFFAOYSA-N 1 0 226.364 2.025 10 0 BEAERO CC(C)CN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000367386605 166926955 /nfs/dbraw/zinc/92/69/55/166926955.db2.gz VCUTYROAOKNMDS-DGCLKSJQSA-N 1 0 238.375 2.022 10 0 BEAERO CCN(CC)CC[N@@H+]1CCCC[C@H](C)C1 ZINC000022861957 169777104 /nfs/dbraw/zinc/77/71/04/169777104.db2.gz BSXIQTHNGLVIRW-ZDUSSCGKSA-N 1 0 212.381 2.450 10 0 BEAERO [NH3+]CC1(CCNc2ccc3ccccc3n2)CC1 ZINC000395866288 410866283 /nfs/dbraw/zinc/86/62/83/410866283.db2.gz HBKOWBITDVVLOZ-UHFFFAOYSA-N 1 0 241.338 2.198 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1C(C)C ZINC000395870748 410866437 /nfs/dbraw/zinc/86/64/37/410866437.db2.gz YHRZVEKSFTYPAO-CHWSQXEVSA-N 1 0 240.391 2.397 10 0 BEAERO [NH3+]CC1(CCNc2ncnc3sccc32)CC1 ZINC000395904190 410867000 /nfs/dbraw/zinc/86/70/00/410867000.db2.gz ZHOSXODGLHCNDA-UHFFFAOYSA-N 1 0 248.355 2.232 10 0 BEAERO CC(C)CN(CC[NH3+])c1nncc2ccccc21 ZINC000053705471 166955101 /nfs/dbraw/zinc/95/51/01/166955101.db2.gz CNNYMVBCAITFQR-UHFFFAOYSA-N 1 0 244.342 2.051 10 0 BEAERO CC[NH+](CC)CCN1CCC2(CC2)CC1 ZINC000371205071 169777858 /nfs/dbraw/zinc/77/78/58/169777858.db2.gz NMVSCUCNDAXLHI-UHFFFAOYSA-N 1 0 210.365 2.204 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN[C@H]1C ZINC000396590136 410888414 /nfs/dbraw/zinc/88/84/14/410888414.db2.gz JHBPOEZMYCVWSQ-LOWDOPEQSA-N 1 0 210.365 2.295 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN[C@@H]1C ZINC000396590139 410888983 /nfs/dbraw/zinc/88/89/83/410888983.db2.gz JHBPOEZMYCVWSQ-NDBYEHHHSA-N 1 0 210.365 2.295 10 0 BEAERO CC(C)C[NH2+]C[C@@H](C)N(C)Cc1cccnc1 ZINC000052479384 167004638 /nfs/dbraw/zinc/00/46/38/167004638.db2.gz BJVJJTVGCLKNTP-CYBMUJFWSA-N 1 0 235.375 2.148 10 0 BEAERO CC(C)C[NH2+]CC[C@@H](C)N1CCOC(C)(C)C1 ZINC000052481941 167004887 /nfs/dbraw/zinc/00/48/87/167004887.db2.gz FCGNWGANKISTBC-CYBMUJFWSA-N 1 0 242.407 2.121 10 0 BEAERO CC(C)C[NH2+]CC[C@@H](O)c1ccc(F)cc1 ZINC000049820134 167005432 /nfs/dbraw/zinc/00/54/32/167005432.db2.gz VAGVVWNWJPQBPH-CYBMUJFWSA-N 1 0 225.307 2.495 10 0 BEAERO CC(C)C[NH2+]C[C@@H](O)COC1CCC(C)CC1 ZINC000037852142 167006589 /nfs/dbraw/zinc/00/65/89/167006589.db2.gz UGLAYENDUSNOSQ-ROKHWSDSSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)C[NH2+]C[C@H]1CCc2ccc(O)cc2O1 ZINC000013775950 167008708 /nfs/dbraw/zinc/00/87/08/167008708.db2.gz SQAQEPLVGLAOHM-CYBMUJFWSA-N 1 0 235.327 2.331 10 0 BEAERO CC(C)C[NH2+]Cc1ccc(OC(C)(C)C)nn1 ZINC000051527215 167008807 /nfs/dbraw/zinc/00/88/07/167008807.db2.gz JDMMJCNUFWUXDI-UHFFFAOYSA-N 1 0 237.347 2.400 10 0 BEAERO CC(C)C[NH2+]Cc1nc2cc(F)ccc2[nH]1 ZINC000062742450 167009637 /nfs/dbraw/zinc/00/96/37/167009637.db2.gz CKOZFASFPWYOKB-UHFFFAOYSA-N 1 0 221.279 2.448 10 0 BEAERO CC(C)C[NH2+]Cc1cnc(-c2ccccn2)nc1 ZINC000054856578 167010814 /nfs/dbraw/zinc/01/08/14/167010814.db2.gz ZNCYHPUKDYOIJW-UHFFFAOYSA-N 1 0 242.326 2.284 10 0 BEAERO CC(C)C[NH2+][C@@]1(C(N)=O)C[C@@H](C)CC(C)(C)C1 ZINC000037946058 167013379 /nfs/dbraw/zinc/01/33/79/167013379.db2.gz WJRCVBXEUHVQAT-FZMZJTMJSA-N 1 0 240.391 2.302 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000151846251 167029105 /nfs/dbraw/zinc/02/91/05/167029105.db2.gz ZRIAZPDUBXZUCJ-IPYPFGDCSA-N 1 0 247.386 2.461 10 0 BEAERO CC(C)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188060359 167031710 /nfs/dbraw/zinc/03/17/10/167031710.db2.gz CTADECPKWHNEET-RYUDHWBXSA-N 1 0 225.357 2.164 10 0 BEAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691022 167034237 /nfs/dbraw/zinc/03/42/37/167034237.db2.gz WPIMPDDQSUFNKL-LOWDOPEQSA-N 1 0 242.432 2.056 10 0 BEAERO CC(C)[NH2+]CC(=O)c1ccc(F)c(F)c1F ZINC000082542702 167096945 /nfs/dbraw/zinc/09/69/45/167096945.db2.gz IIALAPFVHTUKRI-UHFFFAOYSA-N 1 0 231.217 2.285 10 0 BEAERO CC(C)[NH2+]CC(=O)c1c[nH]c2c1cccc2F ZINC000082605522 167098297 /nfs/dbraw/zinc/09/82/97/167098297.db2.gz KXOYLIXQASQGOD-UHFFFAOYSA-N 1 0 234.274 2.488 10 0 BEAERO CC(C)[NH2+]CCCc1nc(-c2ccccn2)c[nH]1 ZINC000037634970 167101320 /nfs/dbraw/zinc/10/13/20/167101320.db2.gz ADGGZBLMCMAJFA-UHFFFAOYSA-N 1 0 244.342 2.402 10 0 BEAERO CC(C)[NH2+]CCCC(=O)N[C@@H](C)c1ccncc1 ZINC000037633264 167102627 /nfs/dbraw/zinc/10/26/27/167102627.db2.gz FAHJFBXDHIBXBF-LBPRGKRZSA-N 1 0 249.358 2.037 10 0 BEAERO CC(C)[NH2+]CCN(C)Cc1cccc(F)c1F ZINC000042691164 167105599 /nfs/dbraw/zinc/10/55/99/167105599.db2.gz NQJFRTXDBJZRIQ-UHFFFAOYSA-N 1 0 242.313 2.395 10 0 BEAERO CC(C)[NH2+]CCN[C@@H](C)c1ccccc1 ZINC000039207839 167107154 /nfs/dbraw/zinc/10/71/54/167107154.db2.gz YSUSVZXIZYOTGX-LBPRGKRZSA-N 1 0 206.333 2.335 10 0 BEAERO CC(C)[NH2+]CCOc1ccc(F)cc1F ZINC000020525331 167108232 /nfs/dbraw/zinc/10/82/32/167108232.db2.gz SJGDKTXPXPPJCX-UHFFFAOYSA-N 1 0 215.243 2.342 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2ccoc21 ZINC000033902863 167110482 /nfs/dbraw/zinc/11/04/82/167110482.db2.gz JSBPDRDKVNCRIK-GFCCVEGCSA-N 1 0 249.310 2.171 10 0 BEAERO CC(C)[NH2+]C[C@H](C)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052573041 167112905 /nfs/dbraw/zinc/11/29/05/167112905.db2.gz LNSUGNGFDNGOOV-IHRRRGAJSA-N 1 0 240.391 2.016 10 0 BEAERO CC(C)[NH2+]C[C@H](C)n1cc(Br)cn1 ZINC000052577607 167113520 /nfs/dbraw/zinc/11/35/20/167113520.db2.gz MOFJPSGVJYAANR-QMMMGPOBSA-N 1 0 246.152 2.205 10 0 BEAERO CC(C)[NH2+]C[C@@](C)(O)c1ccc(F)c(F)c1 ZINC000055033157 167113845 /nfs/dbraw/zinc/11/38/45/167113845.db2.gz MXMNTDABAYBTFA-GFCCVEGCSA-N 1 0 229.270 2.170 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC000053031135 167114518 /nfs/dbraw/zinc/11/45/18/167114518.db2.gz NZYGWWJZGVVEKZ-UONOGXRCSA-N 1 0 247.386 2.463 10 0 BEAERO CC(C)[NH2+]C[C@H](O)COc1cccc2ccoc21 ZINC000033902862 167115683 /nfs/dbraw/zinc/11/56/83/167115683.db2.gz JSBPDRDKVNCRIK-LBPRGKRZSA-N 1 0 249.310 2.171 10 0 BEAERO CC(C)[NH2+]Cc1[nH]nc2c1CCCCC2 ZINC000050479526 167116545 /nfs/dbraw/zinc/11/65/45/167116545.db2.gz DQOKRSJCNDLLGM-UHFFFAOYSA-N 1 0 207.321 2.177 10 0 BEAERO CC(C)[NH2+]Cc1cc(C[N@@H+]2CC[C@H](C)C2)on1 ZINC000052484451 167117256 /nfs/dbraw/zinc/11/72/56/167117256.db2.gz HDMWISKKNSAFRP-NSHDSACASA-N 1 0 237.347 2.014 10 0 BEAERO CC(C)N[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711585 167133259 /nfs/dbraw/zinc/13/32/59/167133259.db2.gz TTXJRELZAYEQAN-JTQLQIEISA-N 1 0 232.249 2.102 10 0 BEAERO CC(C)[NH2+][C@@H]1CCc2c(O)cccc2C1 ZINC000169328030 167134855 /nfs/dbraw/zinc/13/48/55/167134855.db2.gz ZYPFHHJSPUKHEH-LLVKDONJSA-N 1 0 205.301 2.248 10 0 BEAERO CC(C)[NH2+][C@H]1CCc2c(O)cccc2C1 ZINC000169328031 167142851 /nfs/dbraw/zinc/14/28/51/167142851.db2.gz ZYPFHHJSPUKHEH-NSHDSACASA-N 1 0 205.301 2.248 10 0 BEAERO CC(C)Nc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788983 167143756 /nfs/dbraw/zinc/14/37/56/167143756.db2.gz KCQGRJMGGNIAHD-UHFFFAOYSA-N 1 0 211.696 2.444 10 0 BEAERO CC(C)Nc1cccc(Cl)c1C(N)=[NH2+] ZINC000052906306 167147598 /nfs/dbraw/zinc/14/75/98/167147598.db2.gz NVRNNKDHPQWXTQ-UHFFFAOYSA-N 1 0 211.696 2.444 10 0 BEAERO CC(C)OCCN1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000053652194 167231519 /nfs/dbraw/zinc/23/15/19/167231519.db2.gz QDDAMQBDBWYMAE-CQSZACIVSA-N 1 0 240.391 2.018 10 0 BEAERO CC(C)OCCN1C[C@@H](C)[NH2+]Cc2ccccc21 ZINC000062623425 167233879 /nfs/dbraw/zinc/23/38/79/167233879.db2.gz ZQQSIGVOJHXNQZ-CYBMUJFWSA-N 1 0 248.370 2.410 10 0 BEAERO CC(C)OCC[N@@H+]1Cc2cccc(N)c2C1 ZINC000049260251 167237223 /nfs/dbraw/zinc/23/72/23/167237223.db2.gz CHCIOEJPFJNQMU-UHFFFAOYSA-N 1 0 220.316 2.009 10 0 BEAERO CC(C)OCCOc1ccccc1C[C@H](C)[NH3+] ZINC000049261075 167248540 /nfs/dbraw/zinc/24/85/40/167248540.db2.gz OXFDTOOCCRKOCA-LBPRGKRZSA-N 1 0 237.343 2.380 10 0 BEAERO CC(C)OCCO[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000020262991 167249156 /nfs/dbraw/zinc/24/91/56/167249156.db2.gz MKTMYXTZJXBILS-GJZGRUSLSA-N 1 0 249.354 2.443 10 0 BEAERO CCN(CC[NH3+])C(=O)c1cccc2ccccc21 ZINC000041160286 410911670 /nfs/dbraw/zinc/91/16/70/410911670.db2.gz XNLSYMPZYJISHG-UHFFFAOYSA-N 1 0 242.322 2.261 10 0 BEAERO CC(C)Oc1cc2c(cc1C[C@H](C)[NH3+])OCO2 ZINC000042878053 167287777 /nfs/dbraw/zinc/28/77/77/167287777.db2.gz FIWMXGLBNKJDNY-VIFPVBQESA-N 1 0 237.299 2.092 10 0 BEAERO CC(C)Oc1cc(OC2CC2)ccc1C[NH3+] ZINC000095738045 167288513 /nfs/dbraw/zinc/28/85/13/167288513.db2.gz MOABYLRSCQEHGJ-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)Oc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000071548325 167299483 /nfs/dbraw/zinc/29/94/83/167299483.db2.gz LSYZRLRSKVCHNK-UONOGXRCSA-N 1 0 237.343 2.491 10 0 BEAERO CC(C)Oc1ccc([C@@H]2COCC[NH2+]2)cc1 ZINC000071523220 167299814 /nfs/dbraw/zinc/29/98/14/167299814.db2.gz VTUOYNGWGJLVTQ-ZDUSSCGKSA-N 1 0 221.300 2.135 10 0 BEAERO CC(C)Oc1ccc2[nH]cc(C[NH3+])c2c1 ZINC000082593160 167302472 /nfs/dbraw/zinc/30/24/72/167302472.db2.gz FKBRUKPNAXYEFC-UHFFFAOYSA-N 1 0 204.273 2.414 10 0 BEAERO CC(C)Oc1cccc(C[NH2+]CCN(C)C)c1 ZINC000032090189 167306303 /nfs/dbraw/zinc/30/63/03/167306303.db2.gz IUUSASSKQXWABB-UHFFFAOYSA-N 1 0 236.359 2.125 10 0 BEAERO CC(C)Oc1cccc(OC2CC2)c1C[NH3+] ZINC000095737880 167306654 /nfs/dbraw/zinc/30/66/54/167306654.db2.gz NKEQWNNWVPOGRA-UHFFFAOYSA-N 1 0 221.300 2.474 10 0 BEAERO CC(C)[C@@H](C)N(C)c1ncccc1C[NH3+] ZINC000036786383 167371335 /nfs/dbraw/zinc/37/13/35/167371335.db2.gz ZCFQPYBVZRMLEU-SNVBAGLBSA-N 1 0 207.321 2.021 10 0 BEAERO CC(C)[C@@H](CCC[NH3+])C(=O)NC1CCCC1 ZINC000076612337 167390077 /nfs/dbraw/zinc/39/00/77/167390077.db2.gz FEUIKQYSESBSCD-GFCCVEGCSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)[C@@H](C[NH3+])CCC(=O)NC1CCCC1 ZINC000076612388 167397612 /nfs/dbraw/zinc/39/76/12/167397612.db2.gz SXDCSFYDWZEUDH-LLVKDONJSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccco1)N(C)C ZINC000062769743 167399457 /nfs/dbraw/zinc/39/94/57/167399457.db2.gz YBWKLUMNEQEUHF-TZMCWYRMSA-N 1 0 238.375 2.386 10 0 BEAERO CC(C)[C@H]1CN(Cc2ccc(O)cc2)[C@@H](C)C[NH2+]1 ZINC000083379310 167487341 /nfs/dbraw/zinc/48/73/41/167487341.db2.gz UZWVQAGHMJTGGL-SWLSCSKDSA-N 1 0 248.370 2.211 10 0 BEAERO CC(C)[C@H]1CN(Cc2ccco2)[C@@H](C)C[NH2+]1 ZINC000083085098 167493481 /nfs/dbraw/zinc/49/34/81/167493481.db2.gz NPVQXEOWMYMHGM-WCQYABFASA-N 1 0 222.332 2.098 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000399724966 411060965 /nfs/dbraw/zinc/06/09/65/411060965.db2.gz GZPWZNCXXORWPK-NWDGAFQWSA-N 1 0 240.391 2.256 10 0 BEAERO CC(C)c1ccc(C[C@@H]2C[NH2+]CC[C@@H]2O)cc1 ZINC000071537093 167601914 /nfs/dbraw/zinc/60/19/14/167601914.db2.gz AJOUTTNJPUDTGY-CABCVRRESA-N 1 0 233.355 2.323 10 0 BEAERO CC(C)c1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC000037240473 167602909 /nfs/dbraw/zinc/60/29/09/167602909.db2.gz WIZJMLCLMBOCLX-LBPRGKRZSA-N 1 0 204.317 2.347 10 0 BEAERO FC(F)(F)c1cc[nH+]c(N2CCCCN2)c1 ZINC000400212830 411151810 /nfs/dbraw/zinc/15/18/10/411151810.db2.gz RCGSASKDGOHVRB-UHFFFAOYSA-N 1 0 231.221 2.205 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CCO1 ZINC000300735183 411126040 /nfs/dbraw/zinc/12/60/40/411126040.db2.gz QKFSMLGURLVMMC-REWJHTLYSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CCO1 ZINC000300735184 411126096 /nfs/dbraw/zinc/12/60/96/411126096.db2.gz QKFSMLGURLVMMC-SYQHCUMBSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)C(C)C ZINC000061612836 411169139 /nfs/dbraw/zinc/16/91/39/411169139.db2.gz NSJVHXJRBHKPAH-UONOGXRCSA-N 1 0 248.370 2.280 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000657935688 411173146 /nfs/dbraw/zinc/17/31/46/411173146.db2.gz NPNOAUOVFGNVFF-DCAQKATOSA-N 1 0 215.362 2.039 10 0 BEAERO CC(C)n1c([C@H]2CCC[NH2+]2)nc2cccnc21 ZINC000082542545 167740512 /nfs/dbraw/zinc/74/05/12/167740512.db2.gz ARPRPKVMBCWBRZ-SNVBAGLBSA-N 1 0 230.315 2.437 10 0 BEAERO C[C@H]1CCC[C@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000048221080 411180297 /nfs/dbraw/zinc/18/02/97/411180297.db2.gz ABWDGESTKKXMGX-ZSVAQUKISA-N 1 0 238.375 2.293 10 0 BEAERO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CCO1 ZINC000300728980 411189388 /nfs/dbraw/zinc/18/93/88/411189388.db2.gz KLEBJHOBLZCKJJ-XQQFMLRXSA-N 1 0 241.375 2.085 10 0 BEAERO CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1CCCC1 ZINC000128921052 411189502 /nfs/dbraw/zinc/18/95/02/411189502.db2.gz AASVCFZTSTUIBE-GFCCVEGCSA-N 1 0 226.364 2.151 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccsc1 ZINC000128916091 411189854 /nfs/dbraw/zinc/18/98/54/411189854.db2.gz JAZAMRNNYDDMAM-NSHDSACASA-N 1 0 240.372 2.080 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812871 411190491 /nfs/dbraw/zinc/19/04/91/411190491.db2.gz SAFNTOARYFPASM-KBPBESRZSA-N 1 0 241.375 2.181 10 0 BEAERO C[C@@H](O)C[N@H+](C[C@H]1Cc2ccccc21)C1CC1 ZINC000653901830 411215613 /nfs/dbraw/zinc/21/56/13/411215613.db2.gz FEAVCGMZLLVXRD-DGCLKSJQSA-N 1 0 231.339 2.172 10 0 BEAERO C[C@H](O)C[N@H+](C[C@@H]1Cc2ccccc21)C1CC1 ZINC000653901828 411215767 /nfs/dbraw/zinc/21/57/67/411215767.db2.gz FEAVCGMZLLVXRD-AAEUAGOBSA-N 1 0 231.339 2.172 10 0 BEAERO C[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CS1 ZINC000655683270 411224252 /nfs/dbraw/zinc/22/42/52/411224252.db2.gz BRNPHGSQRNCDSB-JQWIXIFHSA-N 1 0 222.357 2.455 10 0 BEAERO CC[C@@H](C)CN(CC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000129132098 411231756 /nfs/dbraw/zinc/23/17/56/411231756.db2.gz PNCWKPXDAXJPKW-VXGBXAGGSA-N 1 0 228.380 2.254 10 0 BEAERO Cc1ccsc1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129138394 411232882 /nfs/dbraw/zinc/23/28/82/411232882.db2.gz GVPHJXTTZFKDOX-SNVBAGLBSA-N 1 0 240.372 2.046 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nccc(C(C)(C)C)n1 ZINC000310337970 411233748 /nfs/dbraw/zinc/23/37/48/411233748.db2.gz NFOJDHXILGAITH-ZJUUUORDSA-N 1 0 236.363 2.312 10 0 BEAERO CO[C@@H]1CC[C@@H]2OCC[N@H+](C3CCCC3)[C@@H]2C1 ZINC000092097362 411268461 /nfs/dbraw/zinc/26/84/61/411268461.db2.gz DDVHQPVYZRFYQN-MCIONIFRSA-N 1 0 239.359 2.197 10 0 BEAERO COc1ccc2c(c1)[C@@](O)(C[NH2+]C(C)C)CCC2 ZINC000092389196 411268914 /nfs/dbraw/zinc/26/89/14/411268914.db2.gz XKYWMIMFTCTVFM-HNNXBMFYSA-N 1 0 249.354 2.217 10 0 BEAERO CC1(C)[C@H]([NH2+]CCc2ccoc2)[C@@H]2CCO[C@H]21 ZINC000658202955 411291818 /nfs/dbraw/zinc/29/18/18/411291818.db2.gz VYPDIMDETSAQCA-YNEHKIRRSA-N 1 0 235.327 2.225 10 0 BEAERO CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309514717 167895157 /nfs/dbraw/zinc/89/51/57/167895157.db2.gz YIHHYWLIPICLPY-FVCCEPFGSA-N 1 0 223.360 2.437 10 0 BEAERO OCC1CC([NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000658357135 411303464 /nfs/dbraw/zinc/30/34/64/411303464.db2.gz RUYQQJIQOWIZKC-UHFFFAOYSA-N 1 0 249.329 2.432 10 0 BEAERO CN(CC(C)(C)[NH3+])c1cc(C(F)(F)F)ccn1 ZINC000656608613 411307485 /nfs/dbraw/zinc/30/74/85/411307485.db2.gz GMTRAZOFYZMPFW-UHFFFAOYSA-N 1 0 247.264 2.274 10 0 BEAERO [NH3+]C1(CNc2nnc(C(F)F)s2)CCCC1 ZINC000656610673 411308567 /nfs/dbraw/zinc/30/85/67/411308567.db2.gz NMKXLNFZWHHMGU-UHFFFAOYSA-N 1 0 248.302 2.159 10 0 BEAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658239815 411309164 /nfs/dbraw/zinc/30/91/64/411309164.db2.gz FGZIDBMJOCMDEJ-DGCLKSJQSA-N 1 0 238.375 2.023 10 0 BEAERO CCC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658242196 411309167 /nfs/dbraw/zinc/30/91/67/411309167.db2.gz PQYVKYDTCDYLQK-DGCLKSJQSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000658243384 411309891 /nfs/dbraw/zinc/30/98/91/411309891.db2.gz CUEBQSVKRGGZTG-QWHCGFSZSA-N 1 0 246.354 2.124 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCCC1 ZINC000658245202 411310094 /nfs/dbraw/zinc/31/00/94/411310094.db2.gz PYYJHUOKRFDAAH-RYUDHWBXSA-N 1 0 238.375 2.023 10 0 BEAERO CN1C[C@H](C[NH2+][C@H]2CCCCC2(C)C)CC1=O ZINC000658244978 411310180 /nfs/dbraw/zinc/31/01/80/411310180.db2.gz VJGVEOXKTVLRQE-RYUDHWBXSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@](CN)(C1CC1)[NH+]1CCC(C)(C)CC1 ZINC000061818874 167922508 /nfs/dbraw/zinc/92/25/08/167922508.db2.gz ARYXWXKDLXWNKZ-ZDUSSCGKSA-N 1 0 210.365 2.236 10 0 BEAERO CCC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000660135008 411252587 /nfs/dbraw/zinc/25/25/87/411252587.db2.gz VHWWBDKCZDDZDU-HZSPNIEDSA-N 1 0 241.375 2.038 10 0 BEAERO Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000128872502 411261128 /nfs/dbraw/zinc/26/11/28/411261128.db2.gz KOCYFKWBCKCKDB-LBPRGKRZSA-N 1 0 220.316 2.307 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1cc(F)cc(F)c1 ZINC000658350601 411352605 /nfs/dbraw/zinc/35/26/05/411352605.db2.gz GOKXOOGMPYGNKX-BVDKZHGWSA-N 1 0 241.281 2.386 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@H]1CCCO1 ZINC000130514515 411357471 /nfs/dbraw/zinc/35/74/71/411357471.db2.gz BPNVGSVTGVWHMY-IUODEOHRSA-N 1 0 249.354 2.482 10 0 BEAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[C@@H]1CCCO1 ZINC000130513880 411358423 /nfs/dbraw/zinc/35/84/23/411358423.db2.gz BPNVGSVTGVWHMY-WFASDCNBSA-N 1 0 249.354 2.482 10 0 BEAERO CC(C)[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000130855108 411366623 /nfs/dbraw/zinc/36/66/23/411366623.db2.gz HFYCWXPCLCNSTA-NWDGAFQWSA-N 1 0 240.391 2.445 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000659341006 411369851 /nfs/dbraw/zinc/36/98/51/411369851.db2.gz XYCKNGFVGYZRCO-AXFHLTTASA-N 1 0 226.364 2.055 10 0 BEAERO CCC[C@H](C(=O)NCC1(C2CC2)CC1)[NH+](C)C ZINC000120512741 411333799 /nfs/dbraw/zinc/33/37/99/411333799.db2.gz NRHSJWIBBVNREV-GFCCVEGCSA-N 1 0 238.375 2.023 10 0 BEAERO CC1(C)[C@@H]([NH3+])C[C@@H]1OCc1ccccc1 ZINC000085520707 167995090 /nfs/dbraw/zinc/99/50/90/167995090.db2.gz CXYDSYBZISZBRQ-RYUDHWBXSA-N 1 0 205.301 2.329 10 0 BEAERO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000107242034 168000796 /nfs/dbraw/zinc/00/07/96/168000796.db2.gz RTPQOQBCLWOZLU-LBPRGKRZSA-N 1 0 205.301 2.032 10 0 BEAERO CC1(C)[C@H]([NH2+]CCCOC(F)F)[C@@H]2CCO[C@H]21 ZINC000374606511 168005638 /nfs/dbraw/zinc/00/56/38/168005638.db2.gz BVYATMGIVZEYBI-IVZWLZJFSA-N 1 0 249.301 2.019 10 0 BEAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]CCCO)C2 ZINC000058055377 168010934 /nfs/dbraw/zinc/01/09/34/168010934.db2.gz VBNALKJYFXTXIP-DMDPSCGWSA-N 1 0 211.349 2.173 10 0 BEAERO CC1(C)[C@H]([NH2+]Cc2ccoc2)[C@@H]2CCO[C@@H]21 ZINC000125926320 168014416 /nfs/dbraw/zinc/01/44/16/168014416.db2.gz GASOVSGVUSVZGY-TUAOUCFPSA-N 1 0 221.300 2.183 10 0 BEAERO CC1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000108941428 168036393 /nfs/dbraw/zinc/03/63/93/168036393.db2.gz JGUZERQGWHBIFR-NWDGAFQWSA-N 1 0 238.375 2.200 10 0 BEAERO CC1(C[C@@H]([NH3+])c2cccc(Cl)c2)OCCO1 ZINC000041285757 168051919 /nfs/dbraw/zinc/05/19/19/168051919.db2.gz XZTPEMVIBMJJBA-LLVKDONJSA-N 1 0 241.718 2.493 10 0 BEAERO CC1(NC(=O)[C@H](C[NH3+])c2ccccc2)CCCC1 ZINC000061612763 168059613 /nfs/dbraw/zinc/05/96/13/168059613.db2.gz BYNYTOMNRQMJFZ-CYBMUJFWSA-N 1 0 246.354 2.178 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCC2CCC2)C1 ZINC000659362008 411377286 /nfs/dbraw/zinc/37/72/86/411377286.db2.gz NJSIXZBGQDYBMB-QWHCGFSZSA-N 1 0 238.375 2.200 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000285154223 168117068 /nfs/dbraw/zinc/11/70/68/168117068.db2.gz MIFMADZQOAJSOO-CYBMUJFWSA-N 1 0 219.332 2.280 10 0 BEAERO CC1=CCOC[C@H]1[NH2+]Cc1ccccc1 ZINC000075603670 168117342 /nfs/dbraw/zinc/11/73/42/168117342.db2.gz JCCAPKKAFNRPAP-CYBMUJFWSA-N 1 0 203.285 2.121 10 0 BEAERO CC1CCC(C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000036775752 168154344 /nfs/dbraw/zinc/15/43/44/168154344.db2.gz OAXDKCMLNCKPIN-UHFFFAOYSA-N 1 0 247.386 2.421 10 0 BEAERO CC1CCC(C[NH3+])(OC2CCOCC2)CC1 ZINC000050485740 168154392 /nfs/dbraw/zinc/15/43/92/168154392.db2.gz KKYXPSBWOYQZSN-UHFFFAOYSA-N 1 0 227.348 2.090 10 0 BEAERO CC1CCC([NH2+]Cc2ccccc2)(C(N)=O)CC1 ZINC000037941265 168164195 /nfs/dbraw/zinc/16/41/95/168164195.db2.gz ZZMGPDLCAGJTIQ-UHFFFAOYSA-N 1 0 246.354 2.210 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=O)OC1CCC(C)CC1 ZINC000048633018 168167031 /nfs/dbraw/zinc/16/70/31/168167031.db2.gz SRAWSIGDLXNAHP-VQXHTEKXSA-N 1 0 213.321 2.092 10 0 BEAERO CC1CCC(c2nccc(CC[NH3+])n2)CC1 ZINC000054833564 168169258 /nfs/dbraw/zinc/16/92/58/168169258.db2.gz NPUDGOURFMXGCO-UHFFFAOYSA-N 1 0 219.332 2.272 10 0 BEAERO CC1CCC(c2ncc(C[NH3+])cn2)CC1 ZINC000054855401 168169448 /nfs/dbraw/zinc/16/94/48/168169448.db2.gz URHVPAZOMMSHKF-UHFFFAOYSA-N 1 0 205.305 2.229 10 0 BEAERO CC1CC[NH+](C[C@@H](O)c2ccco2)CC1 ZINC000032012292 168182764 /nfs/dbraw/zinc/18/27/64/168182764.db2.gz ZPWGMLQYKKWHKY-LLVKDONJSA-N 1 0 209.289 2.045 10 0 BEAERO C[C@@H](C[NH2+]C(C)(C)C)N1CCC(C)CC1 ZINC000052376863 168186550 /nfs/dbraw/zinc/18/65/50/168186550.db2.gz VRDJOQBVPKZWFA-LBPRGKRZSA-N 1 0 212.381 2.495 10 0 BEAERO CC1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000022175280 168187519 /nfs/dbraw/zinc/18/75/19/168187519.db2.gz PUBJOMJWVIUMEB-GFCCVEGCSA-N 1 0 224.373 2.480 10 0 BEAERO CC1CC[NH+]([C@H](CN)C2CCCC2)CC1 ZINC000050272022 168187595 /nfs/dbraw/zinc/18/75/95/168187595.db2.gz DDFIQISDMOKNIK-CYBMUJFWSA-N 1 0 210.365 2.236 10 0 BEAERO CC1CCN([C@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000019272112 168187688 /nfs/dbraw/zinc/18/76/88/168187688.db2.gz ODRLCXPWCDQCLZ-ZFWWWQNUSA-N 1 0 246.354 2.179 10 0 BEAERO C[C@H]([NH3+])[C@@H](c1ccco1)N1CCC(C)CC1 ZINC000043334296 168187816 /nfs/dbraw/zinc/18/78/16/168187816.db2.gz QVIUFXGLGQAOBF-AAEUAGOBSA-N 1 0 222.332 2.400 10 0 BEAERO CC1CC[NH+]([C@H]2C[C@@H](C)CC[C@@H]2N)CC1 ZINC000023069621 168187908 /nfs/dbraw/zinc/18/79/08/168187908.db2.gz VNHAAJAJYUQMII-AVGNSLFASA-N 1 0 210.365 2.234 10 0 BEAERO CCC(=O)CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000190266827 168203139 /nfs/dbraw/zinc/20/31/39/168203139.db2.gz UCBGWPQIUQYFFR-ZDUSSCGKSA-N 1 0 249.358 2.025 10 0 BEAERO C[C@H]1C[C@@H](C[NH3+])CN1c1nccc2ccccc21 ZINC000216238156 411384903 /nfs/dbraw/zinc/38/49/03/411384903.db2.gz DWAAZSAOXAGESW-RYUDHWBXSA-N 1 0 241.338 2.408 10 0 BEAERO CCC(=O)c1ccc(OCCC[NH3+])cc1 ZINC000041215765 168255906 /nfs/dbraw/zinc/25/59/06/168255906.db2.gz SCHFMXGOAQZALY-UHFFFAOYSA-N 1 0 207.273 2.007 10 0 BEAERO CCC(=O)c1ccccc1OCC[NH+](C)C ZINC000003621470 168259686 /nfs/dbraw/zinc/25/96/86/168259686.db2.gz HFTXHBKTFPQXAF-UHFFFAOYSA-N 1 0 221.300 2.220 10 0 BEAERO CCC(C)(C)C(=O)NC1(C[NH3+])CCC(C)CC1 ZINC000104311239 168262951 /nfs/dbraw/zinc/26/29/51/168262951.db2.gz MIJKNNLUBGDLTP-UHFFFAOYSA-N 1 0 240.391 2.446 10 0 BEAERO CCC(C)(C)NC(=O)C[N@@H+]1CCCC1(C)C ZINC000102930623 168290775 /nfs/dbraw/zinc/29/07/75/168290775.db2.gz UFKOYYQAICLVNG-UHFFFAOYSA-N 1 0 226.364 2.166 10 0 BEAERO CCC(C)(C)NC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055122880 168291508 /nfs/dbraw/zinc/29/15/08/168291508.db2.gz ZCCSZQCCMHYYKT-GHMZBOCLSA-N 1 0 226.364 2.199 10 0 BEAERO CCC(C)(C)NC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055122881 168291814 /nfs/dbraw/zinc/29/18/14/168291814.db2.gz ZCCSZQCCMHYYKT-WDEREUQCSA-N 1 0 226.364 2.199 10 0 BEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CC1CCCC1 ZINC000037251964 168293862 /nfs/dbraw/zinc/29/38/62/168293862.db2.gz DRLJWNBAXSUQED-LLVKDONJSA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019487982 168295688 /nfs/dbraw/zinc/29/56/88/168295688.db2.gz CEZCOBFOVZOIIZ-SRVKXCTJSA-N 1 0 238.375 2.212 10 0 BEAERO CC(C)CC1(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000659381618 411407633 /nfs/dbraw/zinc/40/76/33/411407633.db2.gz HURQNCVHZKPMJN-GFCCVEGCSA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)CC1(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000659384290 411409035 /nfs/dbraw/zinc/40/90/35/411409035.db2.gz WDZFBHWLXMIMOV-NWDGAFQWSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)CC1(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000659384287 411409143 /nfs/dbraw/zinc/40/91/43/411409143.db2.gz WDZFBHWLXMIMOV-NEPJUHHUSA-N 1 0 238.375 2.056 10 0 BEAERO Cc1nc([C@H](C)[NH2+]C2CC(CO)C2)c(C)s1 ZINC000658357557 411419027 /nfs/dbraw/zinc/41/90/27/411419027.db2.gz VUBYGKUKCLCYKB-ARTQYDKTSA-N 1 0 240.372 2.181 10 0 BEAERO Cc1cc(C(C)C)nc(NC2CC[NH2+]CC2)n1 ZINC000122547188 411433396 /nfs/dbraw/zinc/43/33/96/411433396.db2.gz RAAYYLUZNWACMO-UHFFFAOYSA-N 1 0 234.347 2.072 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000122750516 411435210 /nfs/dbraw/zinc/43/52/10/411435210.db2.gz CFCUGGXBOUYFHX-ZJUUUORDSA-N 1 0 236.363 2.446 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CCCn2ccnn2)CC1 ZINC000126487149 411439943 /nfs/dbraw/zinc/43/99/43/411439943.db2.gz BTGIOPAVELPKFX-OLZOCXBDSA-N 1 0 236.363 2.227 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]CCCn2ccnn2)CC1 ZINC000126487417 411440064 /nfs/dbraw/zinc/44/00/64/411440064.db2.gz BTGIOPAVELPKFX-STQMWFEESA-N 1 0 236.363 2.227 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000406069809 411451110 /nfs/dbraw/zinc/45/11/10/411451110.db2.gz QVCWCLKBVHVKHN-CMPLNLGQSA-N 1 0 238.375 2.069 10 0 BEAERO CC[NH+]1CCC2(CNc3ccccc32)CC1 ZINC000095616753 169958591 /nfs/dbraw/zinc/95/85/91/169958591.db2.gz UPXKDTHTHUIERA-UHFFFAOYSA-N 1 0 216.328 2.466 10 0 BEAERO Cc1c[nH]c(CN[C@H](C)c2cncc(F)c2)n1 ZINC000657432381 411505956 /nfs/dbraw/zinc/50/59/56/411505956.db2.gz MZJSLWOAOJMPON-SECBINFHSA-N 1 0 234.278 2.103 10 0 BEAERO CCN1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000056894769 170000872 /nfs/dbraw/zinc/00/08/72/170000872.db2.gz ULOKDMONFNPDPB-LBPRGKRZSA-N 1 0 224.735 2.306 10 0 BEAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccncc2)[C@H](C)C1 ZINC000125747820 170010199 /nfs/dbraw/zinc/01/01/99/170010199.db2.gz ULUGHOHUTWVTLP-UKRRQHHQSA-N 1 0 247.386 2.244 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000334578974 170013951 /nfs/dbraw/zinc/01/39/51/170013951.db2.gz MZSZOWFDNNGMKS-UKRRQHHQSA-N 1 0 248.345 2.497 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000328355343 170014368 /nfs/dbraw/zinc/01/43/68/170014368.db2.gz OTQWKQQFLALOQA-NWDGAFQWSA-N 1 0 222.332 2.333 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2ccc(C)cc2N)C1 ZINC000037643677 170016529 /nfs/dbraw/zinc/01/65/29/170016529.db2.gz NFRWOHGRGWQELG-GFCCVEGCSA-N 1 0 233.359 2.331 10 0 BEAERO CC[N@@H+]1CC[C@H](N(C)Cc2ccncc2)[C@H](C)C1 ZINC000125747552 170018414 /nfs/dbraw/zinc/01/84/14/170018414.db2.gz ULUGHOHUTWVTLP-HIFRSBDPSA-N 1 0 247.386 2.244 10 0 BEAERO CCN1CCc2nc([C@@H]([NH3+])C(C)C)sc2C1 ZINC000041059369 170025243 /nfs/dbraw/zinc/02/52/43/170025243.db2.gz ASBNXVMPSFMOHN-NSHDSACASA-N 1 0 239.388 2.177 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC000309065265 170032236 /nfs/dbraw/zinc/03/22/36/170032236.db2.gz YYBZOSXJDPEVFO-ZYHUDNBSSA-N 1 0 224.373 2.178 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000336778427 170039476 /nfs/dbraw/zinc/03/94/76/170039476.db2.gz LIMOKJHHXAGNLE-RWMBFGLXSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000309959773 170039934 /nfs/dbraw/zinc/03/99/34/170039934.db2.gz KKYDHBHGWKIHKH-OUCADQQQSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000336779664 170040223 /nfs/dbraw/zinc/04/02/23/170040223.db2.gz PCTCJRBLXIDJPX-IGQOVBAYSA-N 1 0 224.392 2.495 10 0 BEAERO CCNC(=[NH2+])N1CC[C@H](c2ccccc2)C1 ZINC000052040305 170041697 /nfs/dbraw/zinc/04/16/97/170041697.db2.gz PLQQLVISCYETIA-LBPRGKRZSA-N 1 0 217.316 2.020 10 0 BEAERO CCNC(=O)C[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000036780448 170065840 /nfs/dbraw/zinc/06/58/40/170065840.db2.gz ILZGTNZTRLQAPX-CYBMUJFWSA-N 1 0 248.370 2.399 10 0 BEAERO CCNC(=O)C[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000036780312 170066062 /nfs/dbraw/zinc/06/60/62/170066062.db2.gz UFILOMUKNKQZJT-CQSZACIVSA-N 1 0 248.370 2.426 10 0 BEAERO CCNC(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000035645693 170085353 /nfs/dbraw/zinc/08/53/53/170085353.db2.gz OVFSMKYBJCVNCT-SECBINFHSA-N 1 0 221.304 2.108 10 0 BEAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccc(C)cc1C ZINC000076634543 170089827 /nfs/dbraw/zinc/08/98/27/170089827.db2.gz WWQJDLVCOZLSAG-AWEZNQCLSA-N 1 0 248.370 2.262 10 0 BEAERO CC[NH2+]C(C)(C)CN1CCC[C@@H](C)[C@@H]1C ZINC000061299954 170107881 /nfs/dbraw/zinc/10/78/81/170107881.db2.gz XTHSRPBOXWTISB-NEPJUHHUSA-N 1 0 212.381 2.495 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCC(CC)CC1 ZINC000061296378 170106678 /nfs/dbraw/zinc/10/66/78/170106678.db2.gz IKHFBTNACYFLOM-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO CC[NH2+]C(C)(C)c1nc2ccccc2[nH]1 ZINC000061149766 170107049 /nfs/dbraw/zinc/10/70/49/170107049.db2.gz MBCZEQPHVZXXSB-UHFFFAOYSA-N 1 0 203.289 2.408 10 0 BEAERO CC[NH2+]C(C)(C)CN1Cc2ccccc2C1 ZINC000061299962 170107095 /nfs/dbraw/zinc/10/70/95/170107095.db2.gz NTBCBLBYEWDXOB-UHFFFAOYSA-N 1 0 218.344 2.390 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000061287931 170107363 /nfs/dbraw/zinc/10/73/63/170107363.db2.gz QIHWONAIVIEBKP-GHMZBOCLSA-N 1 0 226.364 2.164 10 0 BEAERO CC[NH2+]C1CCN([C@@H](C)c2ccco2)CC1 ZINC000035739389 170109680 /nfs/dbraw/zinc/10/96/80/170109680.db2.gz VMAVEIWXMANYTF-NSHDSACASA-N 1 0 222.332 2.415 10 0 BEAERO CC[NH2+]CC(=O)c1c[nH]c2c1cccc2C ZINC000082595978 170109891 /nfs/dbraw/zinc/10/98/91/170109891.db2.gz BGJKVJLMDNSYMO-UHFFFAOYSA-N 1 0 216.284 2.269 10 0 BEAERO CC[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000002033196 170109997 /nfs/dbraw/zinc/10/99/97/170109997.db2.gz LERRHFVVILLWHM-UHFFFAOYSA-N 1 0 226.707 2.196 10 0 BEAERO CC[NH2+]CCC(=O)N1CCCc2cc(C)ccc21 ZINC000061288033 170111801 /nfs/dbraw/zinc/11/18/01/170111801.db2.gz HKFBLIHORZFFBM-UHFFFAOYSA-N 1 0 246.354 2.274 10 0 BEAERO CC[NH2+]CCCNc1ncnc2sccc21 ZINC000038043387 170112830 /nfs/dbraw/zinc/11/28/30/170112830.db2.gz MUEIACIGCUBIEF-UHFFFAOYSA-N 1 0 236.344 2.103 10 0 BEAERO CC[NH2+]CCC[C@H](O)c1ccc(C)cc1 ZINC000076858513 170113222 /nfs/dbraw/zinc/11/32/22/170113222.db2.gz JZVFXVYFSDMBDN-ZDUSSCGKSA-N 1 0 207.317 2.418 10 0 BEAERO CC[NH2+]CCCn1nc(C)c(CC)c1C ZINC000042410527 170113443 /nfs/dbraw/zinc/11/34/43/170113443.db2.gz FNEVCQJVINMHBE-UHFFFAOYSA-N 1 0 209.337 2.062 10 0 BEAERO CC[NH2+]CCNc1ccc2ccccc2n1 ZINC000054267334 170116441 /nfs/dbraw/zinc/11/64/41/170116441.db2.gz QJKJGORYFWOKET-UHFFFAOYSA-N 1 0 215.300 2.256 10 0 BEAERO CC[NH2+]CC[C@@H](O)c1cc(Cl)ccc1OC ZINC000049831581 170117327 /nfs/dbraw/zinc/11/73/27/170117327.db2.gz WDKDLEZTAYNIGX-LLVKDONJSA-N 1 0 243.734 2.382 10 0 BEAERO CC[NH2+]CC[C@H](O)c1cc(C)c(OC)cc1C ZINC000049828987 170117549 /nfs/dbraw/zinc/11/75/49/170117549.db2.gz QWHYPODKMJITTO-ZDUSSCGKSA-N 1 0 237.343 2.345 10 0 BEAERO CC[NH2+]C[C@@H]1CCCCN1CCc1cccnc1 ZINC000104409043 170119698 /nfs/dbraw/zinc/11/96/98/170119698.db2.gz DCJVZTKUUJJPIM-HNNXBMFYSA-N 1 0 247.386 2.088 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000053012905 170119721 /nfs/dbraw/zinc/11/97/21/170119721.db2.gz OMMYVDLUHXSYLU-LBPRGKRZSA-N 1 0 234.343 2.131 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1OC ZINC000071548367 170119963 /nfs/dbraw/zinc/11/99/63/170119963.db2.gz YJCBRNNVSNWCAC-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1ccc(C)cc1C ZINC000055032901 170120781 /nfs/dbraw/zinc/12/07/81/170120781.db2.gz GJQODBQSABUJGW-CYBMUJFWSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCOC1 ZINC000054664180 170120783 /nfs/dbraw/zinc/12/07/83/170120783.db2.gz IAFUANKISFCEAA-AWEZNQCLSA-N 1 0 237.318 2.384 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc2c(c1)OCCO2 ZINC000054591227 170120785 /nfs/dbraw/zinc/12/07/85/170120785.db2.gz RFBQESDDOUTGCX-WFASDCNBSA-N 1 0 247.338 2.345 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1OC ZINC000054590636 170120881 /nfs/dbraw/zinc/12/08/81/170120881.db2.gz PNQJBMGNXRZCFT-CMPLNLGQSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000052419058 170121852 /nfs/dbraw/zinc/12/18/52/170121852.db2.gz ANEZKGDVJOGTQM-LBPRGKRZSA-N 1 0 218.344 2.043 10 0 BEAERO CC[NH2+]C[C@H](C)c1nc2c(cccc2F)[nH]1 ZINC000061219296 170121900 /nfs/dbraw/zinc/12/19/00/170121900.db2.gz FNWQLPVIKFVXOF-QMMMGPOBSA-N 1 0 221.279 2.415 10 0 BEAERO CC[NH2+]C[C@H](C)c1nc2ccc(F)cc2n1C ZINC000061219468 170122250 /nfs/dbraw/zinc/12/22/50/170122250.db2.gz QRTXHWZHGNCQIT-VIFPVBQESA-N 1 0 235.306 2.425 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000061230347 170122271 /nfs/dbraw/zinc/12/22/71/170122271.db2.gz WPUXFRVPFAFPFN-SMDDNHRTSA-N 1 0 246.354 2.036 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000055032789 170123488 /nfs/dbraw/zinc/12/34/88/170123488.db2.gz QQAAVHITQHCVNF-NSHDSACASA-N 1 0 213.708 2.157 10 0 BEAERO CC[NH2+]C[C@H](O)Cc1ccc(C(C)C)cc1 ZINC000071523491 170122810 /nfs/dbraw/zinc/12/28/10/170122810.db2.gz JRTQUJFYWQGOIS-CQSZACIVSA-N 1 0 221.344 2.323 10 0 BEAERO CC[NH2+]C[C@H]1CCCCN1c1nc(C)cs1 ZINC000053698218 170122831 /nfs/dbraw/zinc/12/28/31/170122831.db2.gz HRROJFIAEIMYDG-LLVKDONJSA-N 1 0 239.388 2.420 10 0 BEAERO CC[NH2+]C[C@H](O)c1cc(C)c(OCC)cc1C ZINC000049828927 170122901 /nfs/dbraw/zinc/12/29/01/170122901.db2.gz JLMWUPJPTTZPKL-ZDUSSCGKSA-N 1 0 237.343 2.345 10 0 BEAERO CC[NH2+]C[C@H](OCCc1ccccn1)C(C)C ZINC000052633610 170123131 /nfs/dbraw/zinc/12/31/31/170123131.db2.gz RZXFZGASPJKLMA-AWEZNQCLSA-N 1 0 236.359 2.275 10 0 BEAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000054590416 170123803 /nfs/dbraw/zinc/12/38/03/170123803.db2.gz SJEYCCXWIJDCES-VXGBXAGGSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037184570 170124065 /nfs/dbraw/zinc/12/40/65/170124065.db2.gz LYXIKWUZYMJVGL-UHFFFAOYSA-N 1 0 209.318 2.122 10 0 BEAERO CC[NH2+]Cc1c(N2CCCC2)nc2ccccn21 ZINC000035433851 170124310 /nfs/dbraw/zinc/12/43/10/170124310.db2.gz OTGNBYYPUAAVDQ-UHFFFAOYSA-N 1 0 244.342 2.044 10 0 BEAERO CC[NH2+]Cc1cc(OC)nc2ccccc12 ZINC000051523689 170125467 /nfs/dbraw/zinc/12/54/67/170125467.db2.gz KKBHOYCERHCIPH-UHFFFAOYSA-N 1 0 216.284 2.353 10 0 BEAERO CC[NH2+]Cc1ccc(CO[C@@H]2CCOC2)cc1 ZINC000110532894 170126163 /nfs/dbraw/zinc/12/61/63/170126163.db2.gz FUURCBDVZBUZHO-CQSZACIVSA-N 1 0 235.327 2.102 10 0 BEAERO CC[NH2+]Cc1ccc(CN2CCO[C@H](C)C2)cc1 ZINC000052382654 170126527 /nfs/dbraw/zinc/12/65/27/170126527.db2.gz XNSJPXPIPNTDKW-CYBMUJFWSA-N 1 0 248.370 2.017 10 0 BEAERO CC[NH2+]Cc1ccc(O)c(Br)c1 ZINC000032021560 170127362 /nfs/dbraw/zinc/12/73/62/170127362.db2.gz BFQKGGSXVHUQQY-UHFFFAOYSA-N 1 0 230.105 2.264 10 0 BEAERO CC[NH2+]Cc1cccnc1N1CC[C@H](C)C1 ZINC000051448266 170129011 /nfs/dbraw/zinc/12/90/11/170129011.db2.gz BYGAPFRJPWJOLP-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1cccnc1N(C)[C@@H](C)C1CC1 ZINC000051445407 170129128 /nfs/dbraw/zinc/12/91/28/170129128.db2.gz ICCDOSXOEXBUIS-NSHDSACASA-N 1 0 233.359 2.426 10 0 BEAERO CC[NH2+]Cc1cnc(-c2cccc(F)c2)nc1 ZINC000054855611 170129546 /nfs/dbraw/zinc/12/95/46/170129546.db2.gz MLIDFMAHXCGBRC-UHFFFAOYSA-N 1 0 231.274 2.392 10 0 BEAERO CC[NH2+]Cc1cn2cccc(Cl)c2n1 ZINC000076792806 170129610 /nfs/dbraw/zinc/12/96/10/170129610.db2.gz HETPOTHDNRGVAV-UHFFFAOYSA-N 1 0 209.680 2.097 10 0 BEAERO CC[NH2+]Cc1csc(C2CCOCC2)n1 ZINC000052176190 170130240 /nfs/dbraw/zinc/13/02/40/170130240.db2.gz OFTHMRJHTKPYRH-UHFFFAOYSA-N 1 0 226.345 2.147 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000040932313 170130413 /nfs/dbraw/zinc/13/04/13/170130413.db2.gz NGZXEALWAXAJDH-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1cnn(C)c1-c1ccccc1 ZINC000042188600 170130661 /nfs/dbraw/zinc/13/06/61/170130661.db2.gz HUHSSSNRWXAJDA-UHFFFAOYSA-N 1 0 215.300 2.197 10 0 BEAERO CC[NH2+]Cc1csc(N2CCC[C@H](C)C2)n1 ZINC000062214913 170131089 /nfs/dbraw/zinc/13/10/89/170131089.db2.gz WELOWIMEVBMICX-JTQLQIEISA-N 1 0 239.388 2.489 10 0 BEAERO CC[NH2+]Cc1nc2c(s1)CSCC2 ZINC000053294536 170131271 /nfs/dbraw/zinc/13/12/71/170131271.db2.gz SNJZNOPOZMOBPA-UHFFFAOYSA-N 1 0 214.359 2.042 10 0 BEAERO CC[NH2+]Cc1nc(N2CCCC2)ccc1Cl ZINC000051399094 170131647 /nfs/dbraw/zinc/13/16/47/170131647.db2.gz KAJDTRCEQWABRH-UHFFFAOYSA-N 1 0 239.750 2.445 10 0 BEAERO CC[NH2+]Cc1nccn1Cc1ccccc1F ZINC000035636813 170131679 /nfs/dbraw/zinc/13/16/79/170131679.db2.gz BHTUFUYSKOZGDY-UHFFFAOYSA-N 1 0 233.290 2.180 10 0 BEAERO CC[NH2+]Cc1sc(N2CC[C@H](C)C2)nc1C ZINC000054998419 170132546 /nfs/dbraw/zinc/13/25/46/170132546.db2.gz FRORFNOYEZBJGN-VIFPVBQESA-N 1 0 239.388 2.407 10 0 BEAERO CC[NH2+]Cc1sc(N(C)C)nc1C(C)C ZINC000082434666 170132819 /nfs/dbraw/zinc/13/28/19/170132819.db2.gz PISACDKJLMGUEE-UHFFFAOYSA-N 1 0 227.377 2.442 10 0 BEAERO CC[NH2+]Cc1sc(CN(C)C)nc1C(C)C ZINC000082431494 170133143 /nfs/dbraw/zinc/13/31/43/170133143.db2.gz RJNZNZWVUWMVGF-UHFFFAOYSA-N 1 0 241.404 2.438 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000061272545 170139012 /nfs/dbraw/zinc/13/90/12/170139012.db2.gz OLMBXGBAEOZKPG-WCQYABFASA-N 1 0 249.358 2.066 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000061272077 170139252 /nfs/dbraw/zinc/13/92/52/170139252.db2.gz NFFCXGYUQIEPIQ-NWDGAFQWSA-N 1 0 228.380 2.268 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000061269005 170139266 /nfs/dbraw/zinc/13/92/66/170139266.db2.gz ADUIKEXZBIJLCB-RYUDHWBXSA-N 1 0 246.354 2.352 10 0 BEAERO CC[NH2+][C@@H](C)CCN1CCOc2ccccc2C1 ZINC000063012602 170139388 /nfs/dbraw/zinc/13/93/88/170139388.db2.gz QYGHOJOONRBMQC-ZDUSSCGKSA-N 1 0 248.370 2.269 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N1CCCc2ccccc21 ZINC000061269156 170139434 /nfs/dbraw/zinc/13/94/34/170139434.db2.gz LYSXFBYQGDPIEZ-LBPRGKRZSA-N 1 0 246.354 2.354 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(C)c1cccc(C)c1 ZINC000061274546 170139438 /nfs/dbraw/zinc/13/94/38/170139438.db2.gz MFPBKSYOSUCSPC-LBPRGKRZSA-N 1 0 234.343 2.346 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc([C@H]2CCOC2)s1 ZINC000054160284 170142737 /nfs/dbraw/zinc/14/27/37/170142737.db2.gz JDLMJPCCHKUQMK-IUCAKERBSA-N 1 0 226.345 2.318 10 0 BEAERO CC[NH2+][C@@H](C)c1nc2c(cccc2F)n1C ZINC000062366384 170143303 /nfs/dbraw/zinc/14/33/03/170143303.db2.gz JGUIGDHKFQTJKS-QMMMGPOBSA-N 1 0 221.279 2.383 10 0 BEAERO CC[NH2+][C@@H](C)c1csc(CCOC)n1 ZINC000070841372 170143317 /nfs/dbraw/zinc/14/33/17/170143317.db2.gz LOOCSBDGZHYREC-QMMMGPOBSA-N 1 0 214.334 2.003 10 0 BEAERO CC[NH2+][C@@H](CO)c1cc(Cl)ccc1F ZINC000083264874 170144775 /nfs/dbraw/zinc/14/47/75/170144775.db2.gz CWIJQQMNOKFVCW-JTQLQIEISA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)Cc1ccc(C)cc1 ZINC000035570045 170146417 /nfs/dbraw/zinc/14/64/17/170146417.db2.gz RHMKSFCWRYIPAK-AWEZNQCLSA-N 1 0 243.354 2.481 10 0 BEAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1cnn(C)c1 ZINC000035555798 170146761 /nfs/dbraw/zinc/14/67/61/170146761.db2.gz CTAKVLPVTARLTM-AWEZNQCLSA-N 1 0 247.317 2.453 10 0 BEAERO CC[NH2+][C@@H](c1ccc(C)cc1C)[C@@H]1COCCO1 ZINC000055299975 170147658 /nfs/dbraw/zinc/14/76/58/170147658.db2.gz RKICHPIMUIPRSE-GJZGRUSLSA-N 1 0 249.354 2.369 10 0 BEAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000035542423 170148323 /nfs/dbraw/zinc/14/83/23/170148323.db2.gz WPOMMKNOIMVUGT-CABCVRRESA-N 1 0 247.338 2.451 10 0 BEAERO CC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@H]1C[C@@H]1C ZINC000035550139 170148390 /nfs/dbraw/zinc/14/83/90/170148390.db2.gz RHBXGMPDUQBKOB-FMSQNYNMSA-N 1 0 244.338 2.488 10 0 BEAERO CC[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000041048651 170148933 /nfs/dbraw/zinc/14/89/33/170148933.db2.gz CVXRPGANVFLDBN-LBPRGKRZSA-N 1 0 215.300 2.119 10 0 BEAERO CC[NH2+][C@@H](c1ncccn1)C1CCCC1 ZINC000037469183 170149751 /nfs/dbraw/zinc/14/97/51/170149751.db2.gz NIFCGIQDRLSQGL-LLVKDONJSA-N 1 0 205.305 2.317 10 0 BEAERO CC[NH2+][C@@H](c1cncnc1)c1ccccc1OC ZINC000052886894 170149948 /nfs/dbraw/zinc/14/99/48/170149948.db2.gz ICKQNVISORANNK-AWEZNQCLSA-N 1 0 243.310 2.184 10 0 BEAERO CC[NH2+][C@@H]1CCCCCC[C@H]1n1cncn1 ZINC000043991460 170150217 /nfs/dbraw/zinc/15/02/17/170150217.db2.gz RNCYKKHRMBUNBK-VXGBXAGGSA-N 1 0 222.336 2.152 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@@H]1n1cc(C)cn1 ZINC000043999511 170150477 /nfs/dbraw/zinc/15/04/77/170150477.db2.gz LHCCGVYXVQHIQC-NEPJUHHUSA-N 1 0 207.321 2.285 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1cnn(C)c1 ZINC000060715595 170151082 /nfs/dbraw/zinc/15/10/82/170151082.db2.gz QFCKFWGWKQITSD-VXGBXAGGSA-N 1 0 207.321 2.056 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2cccc(C)n2)C[C@@H]1C ZINC000051576617 170151392 /nfs/dbraw/zinc/15/13/92/170151392.db2.gz JBLUEGRQVQNNIL-SWLSCSKDSA-N 1 0 247.386 2.210 10 0 BEAERO CC[NH2+][C@@H]1CCN(C2CCCCCCC2)C1=O ZINC000049647321 170151726 /nfs/dbraw/zinc/15/17/26/170151726.db2.gz KXSHTWMHRSBTDS-CYBMUJFWSA-N 1 0 238.375 2.310 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(C)o2)C1 ZINC000049216749 170151836 /nfs/dbraw/zinc/15/18/36/170151836.db2.gz PGHHKURTCXPWIG-NWDGAFQWSA-N 1 0 222.332 2.333 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCc2ccco2)[C@H](C)C1 ZINC000049713517 170151997 /nfs/dbraw/zinc/15/19/97/170151997.db2.gz GXYSHBZAJNGNAB-CHWSQXEVSA-N 1 0 236.359 2.285 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCc2cccnc2)[C@H](C)C1 ZINC000049712949 170152067 /nfs/dbraw/zinc/15/20/67/170152067.db2.gz GZFZELIXOQRUHR-UKRRQHHQSA-N 1 0 247.386 2.087 10 0 BEAERO CC[NH2+][C@@H]1CCC[S@](=O)c2ccccc21 ZINC000040973540 170152104 /nfs/dbraw/zinc/15/21/04/170152104.db2.gz DPGLLIVATZYEFP-IAQYHMDHSA-N 1 0 223.341 2.239 10 0 BEAERO CC[NH2+][C@@H]1CCOc2c(OC)cc(C)cc21 ZINC000035652534 170152683 /nfs/dbraw/zinc/15/26/83/170152683.db2.gz JPDYRQRBKFLMJU-LLVKDONJSA-N 1 0 221.300 2.437 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2cccnc2)C[C@@H]1C ZINC000049712727 170152719 /nfs/dbraw/zinc/15/27/19/170152719.db2.gz SMMSFPONGPANEK-KCQAQPDRSA-N 1 0 247.386 2.463 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2F)C1 ZINC000037242211 170152771 /nfs/dbraw/zinc/15/27/71/170152771.db2.gz UOXDMRIJTYXIMR-LLVKDONJSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(OCC)c2)C1 ZINC000049568558 170152980 /nfs/dbraw/zinc/15/29/80/170152980.db2.gz BCBASUAPOKPFQJ-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(C)c(C)c2)C1 ZINC000037241785 170153080 /nfs/dbraw/zinc/15/30/80/170153080.db2.gz TWXNDZGMFPTCTN-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@@H]1CC[S@@](=O)c2ccc(C)cc21 ZINC000040974871 170153365 /nfs/dbraw/zinc/15/33/65/170153365.db2.gz IUMIFEIDZNCFKY-ABAIWWIYSA-N 1 0 223.341 2.157 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000061272548 170156723 /nfs/dbraw/zinc/15/67/23/170156723.db2.gz OLMBXGBAEOZKPG-YPMHNXCESA-N 1 0 249.358 2.066 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000061270454 170156856 /nfs/dbraw/zinc/15/68/56/170156856.db2.gz SYCGASHIBNADFE-KOLCDFICSA-N 1 0 238.331 2.153 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)Cc1ccccc1 ZINC000062188490 170156872 /nfs/dbraw/zinc/15/68/72/170156872.db2.gz LOPZWEWBQYBSIX-OLZOCXBDSA-N 1 0 248.370 2.122 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000061272063 170156938 /nfs/dbraw/zinc/15/69/38/170156938.db2.gz DWBYERDGLNWVNN-XQQFMLRXSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1F ZINC000061274553 170157216 /nfs/dbraw/zinc/15/72/16/170157216.db2.gz WRYHFWIMRZRXBN-SNVBAGLBSA-N 1 0 238.306 2.177 10 0 BEAERO CC[NH2+][C@H](C)C(=O)c1ccc(OC)c(CC)c1 ZINC000071545936 170157282 /nfs/dbraw/zinc/15/72/82/170157282.db2.gz MHCPFDURFGQVFW-SNVBAGLBSA-N 1 0 235.327 2.438 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2ccccc2[nH]1 ZINC000061181772 170158319 /nfs/dbraw/zinc/15/83/19/170158319.db2.gz AGDKJGKSHPNUHK-SECBINFHSA-N 1 0 203.289 2.103 10 0 BEAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OCC)c(F)c1 ZINC000071550634 170158456 /nfs/dbraw/zinc/15/84/56/170158456.db2.gz KLWCUENBXNWZOJ-RNCFNFMXSA-N 1 0 241.306 2.256 10 0 BEAERO CC[NH2+][C@H](C)[C@H](O)c1cc(CC)ccc1OC ZINC000071548281 170158746 /nfs/dbraw/zinc/15/87/46/170158746.db2.gz ZJAONYJPEPYEAO-YGRLFVJLSA-N 1 0 237.343 2.289 10 0 BEAERO CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1OC ZINC000036201044 170158976 /nfs/dbraw/zinc/15/89/76/170158976.db2.gz IZQVYIXFFCUBJN-SECBINFHSA-N 1 0 239.315 2.383 10 0 BEAERO CC[NH2+][C@H](C)c1nc2cc(F)ccc2[nH]1 ZINC000062366136 170160152 /nfs/dbraw/zinc/16/01/52/170160152.db2.gz NPULCHLQNBNVNR-SSDOTTSWSA-N 1 0 207.252 2.373 10 0 BEAERO CC[NH2+][C@H](C)c1csc(CCOC)n1 ZINC000070841380 170160307 /nfs/dbraw/zinc/16/03/07/170160307.db2.gz LOOCSBDGZHYREC-MRVPVSSYSA-N 1 0 214.334 2.003 10 0 BEAERO CC[NH2+][C@H](CC)C(=O)c1ccc(OC)cc1 ZINC000071523044 170160788 /nfs/dbraw/zinc/16/07/88/170160788.db2.gz SZBBAOZTUVSHKF-GFCCVEGCSA-N 1 0 221.300 2.266 10 0 BEAERO CC[NH2+][C@H](CCN1CCO[C@H](C)C1)C(C)(C)C ZINC000054027080 170161288 /nfs/dbraw/zinc/16/12/88/170161288.db2.gz DNXJXDZRDWBEIU-CHWSQXEVSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH2+][C@H](CO)c1ccc(OC(C)C)c(C)c1 ZINC000071548315 170162307 /nfs/dbraw/zinc/16/23/07/170162307.db2.gz RNGAGTCPZKIJHR-CYBMUJFWSA-N 1 0 237.343 2.425 10 0 BEAERO CC[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1COCCO1 ZINC000055300047 170162933 /nfs/dbraw/zinc/16/29/33/170162933.db2.gz DHHYXXNKXQERLW-LSDHHAIUSA-N 1 0 249.354 2.369 10 0 BEAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccccc1F ZINC000035570331 170163062 /nfs/dbraw/zinc/16/30/62/170163062.db2.gz YPIGKWXDNZJAFF-GFCCVEGCSA-N 1 0 233.290 2.442 10 0 BEAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H]1COCCO1 ZINC000055300108 170163097 /nfs/dbraw/zinc/16/30/97/170163097.db2.gz SYSMLQOFUFOBSH-LSDHHAIUSA-N 1 0 249.354 2.315 10 0 BEAERO CC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)[C@H]1C[C@@H]1C ZINC000035550141 170164179 /nfs/dbraw/zinc/16/41/79/170164179.db2.gz RHBXGMPDUQBKOB-ONENECBXSA-N 1 0 244.338 2.488 10 0 BEAERO CC[NH2+][C@H](c1ccco1)C1CCOCC1 ZINC000061672213 170165042 /nfs/dbraw/zinc/16/50/42/170165042.db2.gz IHFJTHWUEHECDG-LBPRGKRZSA-N 1 0 209.289 2.357 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@H]1Cc1cnn(C)c1 ZINC000050540755 170165963 /nfs/dbraw/zinc/16/59/63/170165963.db2.gz KHFMCAAFEGAGCS-STQMWFEESA-N 1 0 221.348 2.131 10 0 BEAERO CC[NH2+][C@H]1CCCCC[C@@H]1n1cccn1 ZINC000043989156 170166060 /nfs/dbraw/zinc/16/60/60/170166060.db2.gz IOXPSOOOFQNYIK-RYUDHWBXSA-N 1 0 207.321 2.366 10 0 BEAERO CC[NH2+][C@H]1CC(C)(C)Cc2nc(N)sc21 ZINC000050331394 170166118 /nfs/dbraw/zinc/16/61/18/170166118.db2.gz WUJORFQVYIINCF-ZETCQYMHSA-N 1 0 225.361 2.348 10 0 BEAERO CC[NH2+][C@H]1CCC[S@@](=O)c2ccc(F)cc21 ZINC000040974226 170166607 /nfs/dbraw/zinc/16/66/07/170166607.db2.gz KMKOGNQFSHIOJN-ZBEGNZNMSA-N 1 0 241.331 2.378 10 0 BEAERO CC[NH2+][C@H]1CCCc2nc(CC)ncc21 ZINC000050100848 170166886 /nfs/dbraw/zinc/16/68/86/170166886.db2.gz CIVNJEBCBQHZRD-JTQLQIEISA-N 1 0 205.305 2.026 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000049577870 170167484 /nfs/dbraw/zinc/16/74/84/170167484.db2.gz HQTWDHFGRKEUAY-NSHDSACASA-N 1 0 240.297 2.149 10 0 BEAERO CC[NH2+][C@H]1CCN([C@@H](C)c2cccs2)C1=O ZINC000049648756 170167495 /nfs/dbraw/zinc/16/74/95/170167495.db2.gz VZOADVKOOATAHI-UWVGGRQHSA-N 1 0 238.356 2.020 10 0 BEAERO CC[NH2+][C@H]1CCN(CCc2ccco2)[C@H](C)C1 ZINC000049713518 170167516 /nfs/dbraw/zinc/16/75/16/170167516.db2.gz GXYSHBZAJNGNAB-OLZOCXBDSA-N 1 0 236.359 2.285 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(F)ccc2C)C1 ZINC000037242027 170167549 /nfs/dbraw/zinc/16/75/49/170167549.db2.gz LBGYKZVKEULKQW-LBPRGKRZSA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccco2)C[C@@H]1C ZINC000049708496 170167702 /nfs/dbraw/zinc/16/77/02/170167702.db2.gz VDRJNZINHPNWCE-AAEUAGOBSA-N 1 0 222.332 2.100 10 0 BEAERO CC[NH2+][C@H]1CCN(CCc2ccco2)C[C@@H]1C ZINC000049713504 170168077 /nfs/dbraw/zinc/16/80/77/170168077.db2.gz FXBSLJWWLZNBQP-JSGCOSHPSA-N 1 0 236.359 2.142 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(COC)c2)C1 ZINC000049508967 170168246 /nfs/dbraw/zinc/16/82/46/170168246.db2.gz BAMYRSTVSUTTKO-ZDUSSCGKSA-N 1 0 234.343 2.021 10 0 BEAERO CC[NH2+][C@H]1CCc2c1cccc2O[C@H]1CCOC1 ZINC000070072004 170168551 /nfs/dbraw/zinc/16/85/51/170168551.db2.gz WXWARESXCTWQJF-FZMZJTMJSA-N 1 0 247.338 2.451 10 0 BEAERO CC[NH2+][C@H]1CCc2c(OC)ccc(OC)c2C1 ZINC000029215492 170168714 /nfs/dbraw/zinc/16/87/14/170168714.db2.gz ATLMFLUVUVFTEU-JTQLQIEISA-N 1 0 235.327 2.171 10 0 BEAERO CC[NH2+][C@H]1CCOc2c(F)cc(F)cc21 ZINC000035653387 170168715 /nfs/dbraw/zinc/16/87/15/170168715.db2.gz PJKJSTJNOBVYES-JTQLQIEISA-N 1 0 213.227 2.398 10 0 BEAERO CC[NH2+][C@H]1COc2c1cccc2OCC ZINC000035654359 170168762 /nfs/dbraw/zinc/16/87/62/170168762.db2.gz WFXLRXJSOHNRCE-JTQLQIEISA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1OCCOC ZINC000054556370 170168948 /nfs/dbraw/zinc/16/89/48/170168948.db2.gz KDNJTOVTFLELGM-RDBSUJKOSA-N 1 0 243.391 2.452 10 0 BEAERO CC[NH2+][C@H]1CCc2c1c(OC)ccc2OC ZINC000042405286 170169017 /nfs/dbraw/zinc/16/90/17/170169017.db2.gz YMLKJZVSTYQANL-JTQLQIEISA-N 1 0 221.300 2.301 10 0 BEAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1OC ZINC000044042814 170169334 /nfs/dbraw/zinc/16/93/34/170169334.db2.gz YWBYUFVKNKOEKS-OLZOCXBDSA-N 1 0 205.301 2.298 10 0 BEAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1OC ZINC000044042806 170169719 /nfs/dbraw/zinc/16/97/19/170169719.db2.gz YWBYUFVKNKOEKS-STQMWFEESA-N 1 0 205.301 2.298 10 0 BEAERO CC[NH2+][C@]1(c2nccs2)CCCSC1 ZINC000061590725 170170245 /nfs/dbraw/zinc/17/02/45/170170245.db2.gz JCRRIOZRRLVCSY-SNVBAGLBSA-N 1 0 228.386 2.475 10 0 BEAERO CC[NH2+][C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091422 170170779 /nfs/dbraw/zinc/17/07/79/170170779.db2.gz XIJOIAYXSDNCDG-CYBMUJFWSA-N 1 0 242.363 2.386 10 0 BEAERO CCNc1cc(C[N@@H+]2CC[C@H](C)C2)ccn1 ZINC000052723167 170172053 /nfs/dbraw/zinc/17/20/53/170172053.db2.gz UPZSKBWPXYCDJQ-NSHDSACASA-N 1 0 219.332 2.355 10 0 BEAERO CCNc1ccc(C[N@@H+]2CC[C@@H](C)C2)cn1 ZINC000050814676 170173589 /nfs/dbraw/zinc/17/35/89/170173589.db2.gz JHNCCABKCRECMP-LLVKDONJSA-N 1 0 219.332 2.355 10 0 BEAERO CCNc1ncccc1C[N@@H+]1CC[C@H](C)C1 ZINC000052723133 170178023 /nfs/dbraw/zinc/17/80/23/170178023.db2.gz XTTNQOQGRAKWEN-NSHDSACASA-N 1 0 219.332 2.355 10 0 BEAERO CCOC(=O)CC1CC[NH+](C(C)(C)C)CC1 ZINC000073653613 170198229 /nfs/dbraw/zinc/19/82/29/170198229.db2.gz KPXLVYANBXRMGP-UHFFFAOYSA-N 1 0 227.348 2.450 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCCC3(CC3)C2)C1 ZINC000660304679 411566462 /nfs/dbraw/zinc/56/64/62/411566462.db2.gz GUUZZVCUCAKIGH-QWHCGFSZSA-N 1 0 223.360 2.414 10 0 BEAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCCC3(CC3)C2)C1 ZINC000660304678 411566848 /nfs/dbraw/zinc/56/68/48/411566848.db2.gz GUUZZVCUCAKIGH-OLZOCXBDSA-N 1 0 223.360 2.414 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000002511941 170231234 /nfs/dbraw/zinc/23/12/34/170231234.db2.gz KVXLQQGXKDKPTI-SNVBAGLBSA-N 1 0 245.681 2.432 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(C)cc(C)c1 ZINC000003678321 170231286 /nfs/dbraw/zinc/23/12/86/170231286.db2.gz HLCCNLBRPAQXEI-GFCCVEGCSA-N 1 0 221.300 2.256 10 0 BEAERO CCOC(=O)C[C@@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000073653532 170232087 /nfs/dbraw/zinc/23/20/87/170232087.db2.gz FVZMRKYARCKNID-NSHDSACASA-N 1 0 227.348 2.450 10 0 BEAERO CCOC(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000019389358 170243693 /nfs/dbraw/zinc/24/36/93/170243693.db2.gz YONYADQHBWDEPF-MRVPVSSYSA-N 1 0 208.261 2.275 10 0 BEAERO CCOC(=O)[C@@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000037459917 170263592 /nfs/dbraw/zinc/26/35/92/170263592.db2.gz MXBISIMZUWCNIY-JOYOIKCWSA-N 1 0 213.321 2.093 10 0 BEAERO CCOC(=O)[C@@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037459851 170263604 /nfs/dbraw/zinc/26/36/04/170263604.db2.gz IQOZBAVSFTZLKZ-ZWNOBZJWSA-N 1 0 227.348 2.483 10 0 BEAERO CCOC(=O)[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037459852 170285737 /nfs/dbraw/zinc/28/57/37/170285737.db2.gz IQOZBAVSFTZLKZ-GWCFXTLKSA-N 1 0 227.348 2.483 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cnn1C ZINC000657655273 411571307 /nfs/dbraw/zinc/57/13/07/411571307.db2.gz CKLUEUMYPNSELW-SGMGOOAPSA-N 1 0 233.359 2.254 10 0 BEAERO CCOCCCC[NH2+]CCN1CCC[C@@H]1CC ZINC000053343094 170369757 /nfs/dbraw/zinc/36/97/57/170369757.db2.gz XODVQBGCUKCLFS-AWEZNQCLSA-N 1 0 242.407 2.267 10 0 BEAERO CCOCCC[NH2+]CCN(C)[C@@H](C)C(C)(C)C ZINC000053391046 170380285 /nfs/dbraw/zinc/38/02/85/170380285.db2.gz AMZRHOHRQUELBD-ZDUSSCGKSA-N 1 0 244.423 2.369 10 0 BEAERO CCOCCC[NH2+]C[C@H](C)n1ccnc1CC ZINC000053541189 170380579 /nfs/dbraw/zinc/38/05/79/170380579.db2.gz BKBGBYAIONLRHL-LBPRGKRZSA-N 1 0 239.363 2.023 10 0 BEAERO CCOCCC[NH2+]C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000035014730 170380749 /nfs/dbraw/zinc/38/07/49/170380749.db2.gz AUDJCRXUUJDOST-AGIUHOORSA-N 1 0 209.333 2.215 10 0 BEAERO CCOCCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H]1CC ZINC000053447997 170380852 /nfs/dbraw/zinc/38/08/52/170380852.db2.gz DGIPBEGVBUJWMS-KBPBESRZSA-N 1 0 242.407 2.266 10 0 BEAERO CCCc1nccnc1NC[C@@H]1CCC[N@@H+]1CC ZINC000663319349 411623801 /nfs/dbraw/zinc/62/38/01/411623801.db2.gz RVQKYDIMPAVUCO-LBPRGKRZSA-N 1 0 248.374 2.325 10 0 BEAERO CC(C)=CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000660805584 411639038 /nfs/dbraw/zinc/63/90/38/411639038.db2.gz DCPOTOSCEKZZHA-MELADBBJSA-N 1 0 223.360 2.436 10 0 BEAERO CCOCCO[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000019272761 170421703 /nfs/dbraw/zinc/42/17/03/170421703.db2.gz AVRFQUQMUOTXGY-CABCVRRESA-N 1 0 249.354 2.444 10 0 BEAERO CCOCCO[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043047389 170421799 /nfs/dbraw/zinc/42/17/99/170421799.db2.gz SDGQPRSTPGPSFY-GXFFZTMASA-N 1 0 241.306 2.267 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657697227 411582093 /nfs/dbraw/zinc/58/20/93/411582093.db2.gz NXYMKQCTRXVXHO-AGIUHOORSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]([NH2+]CC(O)(C1CC1)C1CC1)[C@H]1C[C@H]1C ZINC000657699706 411582518 /nfs/dbraw/zinc/58/25/18/411582518.db2.gz NYPZXDUBNHYSQH-NRUUGDAUSA-N 1 0 223.360 2.172 10 0 BEAERO CC[C@H](C[NH2+][C@@H](C)COC)CC(F)F ZINC000660485861 411593004 /nfs/dbraw/zinc/59/30/04/411593004.db2.gz XXORERWGEYMCPZ-IUCAKERBSA-N 1 0 209.280 2.292 10 0 BEAERO CCCOc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657808728 411601089 /nfs/dbraw/zinc/60/10/89/411601089.db2.gz NLAXQWVZJQPGKZ-UHFFFAOYSA-N 1 0 249.354 2.336 10 0 BEAERO CSc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657809022 411601466 /nfs/dbraw/zinc/60/14/66/411601466.db2.gz SHIUUEQIGQUURT-UHFFFAOYSA-N 1 0 237.368 2.269 10 0 BEAERO OCC1CC([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000657813429 411603439 /nfs/dbraw/zinc/60/34/39/411603439.db2.gz XHRFSIWTNZTUIO-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO OCC1CC([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000657811599 411603561 /nfs/dbraw/zinc/60/35/61/411603561.db2.gz XXUOYPSBMYKPAF-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO CCOC1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000657832278 411608702 /nfs/dbraw/zinc/60/87/02/411608702.db2.gz KGGOMELFOUGFAD-MOKVOYLWSA-N 1 0 241.375 2.493 10 0 BEAERO CCOC1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000657832785 411608752 /nfs/dbraw/zinc/60/87/52/411608752.db2.gz BKTSAYXWEPEADF-BLYZHGLHSA-N 1 0 241.375 2.491 10 0 BEAERO CCOc1cc2c(cc1[C@@H]1C[C@H]1[NH3+])O[C@H](C)C2 ZINC000037381387 170530563 /nfs/dbraw/zinc/53/05/63/170530563.db2.gz WSQZNUSPGAJJGI-UBHAPETDSA-N 1 0 233.311 2.223 10 0 BEAERO CCOc1ccc(C(=O)CC[NH2+]C2CC2)cc1 ZINC000049822923 170536105 /nfs/dbraw/zinc/53/61/05/170536105.db2.gz MTLBFPIIXBKLAN-UHFFFAOYSA-N 1 0 233.311 2.410 10 0 BEAERO CCOc1ccc([C@@H]([NH3+])[C@H]2CCOC2)cc1 ZINC000040942002 170559301 /nfs/dbraw/zinc/55/93/01/170559301.db2.gz JUSMYCKGUHCYBH-WCQYABFASA-N 1 0 221.300 2.122 10 0 BEAERO CCOc1ccc2c(c1)[C@@H]([NH3+])CCCN2 ZINC000095751337 170567555 /nfs/dbraw/zinc/56/75/55/170567555.db2.gz SYGDNHFVWSMVPU-NSHDSACASA-N 1 0 206.289 2.291 10 0 BEAERO CCOc1cccc(O[C@H]2CCC[C@H]2[NH3+])c1 ZINC000051846296 170583738 /nfs/dbraw/zinc/58/37/38/170583738.db2.gz VBCDYBUMSCAQSS-OLZOCXBDSA-N 1 0 221.300 2.344 10 0 BEAERO CCOc1ccccc1NC1CC[NH2+]CC1 ZINC000038040499 170595024 /nfs/dbraw/zinc/59/50/24/170595024.db2.gz RMRRYAWZEIGNDV-UHFFFAOYSA-N 1 0 220.316 2.249 10 0 BEAERO CCSCC[NH2+]C[C@H]1CCCN1CC(C)C ZINC000336780942 170636812 /nfs/dbraw/zinc/63/68/12/170636812.db2.gz SQEDSNRSTCRUNQ-CYBMUJFWSA-N 1 0 244.448 2.450 10 0 BEAERO CCSCC[NH2+]C[C@@H]1CCCS1 ZINC000129035771 170636820 /nfs/dbraw/zinc/63/68/20/170636820.db2.gz ZZSXOPAHRWGFLH-VIFPVBQESA-N 1 0 205.392 2.225 10 0 BEAERO CCSCC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000128889936 170637005 /nfs/dbraw/zinc/63/70/05/170637005.db2.gz SHSYBBZRTQVRFG-GFCCVEGCSA-N 1 0 237.368 2.333 10 0 BEAERO CC[C@@H](C)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120395640 170703998 /nfs/dbraw/zinc/70/39/98/170703998.db2.gz KLTJRFCQCCQGBH-GFCCVEGCSA-N 1 0 248.374 2.399 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@H](O)c1cc(F)ccc1OC ZINC000049830555 170752320 /nfs/dbraw/zinc/75/23/20/170752320.db2.gz ZMIGNYZNHCYLPH-SKDRFNHKSA-N 1 0 241.306 2.256 10 0 BEAERO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C ZINC000019864746 170806173 /nfs/dbraw/zinc/80/61/73/170806173.db2.gz JWBGIPWHGGJDJJ-NEPJUHHUSA-N 1 0 237.343 2.159 10 0 BEAERO CC[C@@H](CC[NH3+])n1cnc2ccccc21 ZINC000036677724 170817166 /nfs/dbraw/zinc/81/71/66/170817166.db2.gz ZVTWAFDJUQCRQA-JTQLQIEISA-N 1 0 203.289 2.336 10 0 BEAERO CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1OC ZINC000102419329 170839843 /nfs/dbraw/zinc/83/98/43/170839843.db2.gz VKEQIZLGEYGORW-CFNZNRNTSA-N 1 0 235.327 2.069 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000036779511 170867011 /nfs/dbraw/zinc/86/70/11/170867011.db2.gz OTYWOVALXLHKNO-ZJUUUORDSA-N 1 0 249.232 2.356 10 0 BEAERO CC[C@@H]([NH3+])c1c(C)nn(CC2CC2)c1C ZINC000054716674 170869253 /nfs/dbraw/zinc/86/92/53/170869253.db2.gz LCGPTHSQUPAIJU-LLVKDONJSA-N 1 0 207.321 2.320 10 0 BEAERO CC[C@@H]([NH2+]CCCS(=O)(=O)CC)C(C)(C)C ZINC000310039249 170894584 /nfs/dbraw/zinc/89/45/84/170894584.db2.gz WVWGDZVAYKWKBS-LLVKDONJSA-N 1 0 249.420 2.226 10 0 BEAERO CC[C@@H]([NH2+]C[C@@]1(O)CCSC1)C(C)(C)C ZINC000336744412 170899394 /nfs/dbraw/zinc/89/93/94/170899394.db2.gz ZIILJUPPSOTNMW-PWSUYJOCSA-N 1 0 231.405 2.269 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000124897186 170960582 /nfs/dbraw/zinc/96/05/82/170960582.db2.gz GIXREZWGTOHKIR-QWHCGFSZSA-N 1 0 238.375 2.167 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000310040781 170985517 /nfs/dbraw/zinc/98/55/17/170985517.db2.gz XWTPXRUEMNXUFR-KSTCHIGDSA-N 1 0 223.360 2.437 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000309164138 171044753 /nfs/dbraw/zinc/04/47/53/171044753.db2.gz IFBZJAZZPVYQFX-XQHKEYJVSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](Cc2cnn(C)c2)C1 ZINC000050540920 171056244 /nfs/dbraw/zinc/05/62/44/171056244.db2.gz HKEOYULQEAVXMW-XBFCOCLRSA-N 1 0 235.375 2.377 10 0 BEAERO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)[NH2+]1 ZINC000096987020 171067308 /nfs/dbraw/zinc/06/73/08/171067308.db2.gz AAHVZRVEWFTULP-SNVBAGLBSA-N 1 0 242.363 2.384 10 0 BEAERO CC[C@@H]1C[N@H+](C)[C@H](C2CCCCC2)CN1 ZINC000082936783 171075186 /nfs/dbraw/zinc/07/51/86/171075186.db2.gz VMQJLFNDPJONNY-OLZOCXBDSA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CN(C[C@H](C)c2ccccc2)CC[NH2+]1 ZINC000083359033 171085932 /nfs/dbraw/zinc/08/59/32/171085932.db2.gz QHICNESNJNAILM-DZGCQCFKSA-N 1 0 232.371 2.474 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000068692414 171087549 /nfs/dbraw/zinc/08/75/49/171087549.db2.gz RTQKEFAIAVFDDY-GFCCVEGCSA-N 1 0 240.297 2.149 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(C[NH2+]C)cc2)CCO1 ZINC000052477310 171087701 /nfs/dbraw/zinc/08/77/01/171087701.db2.gz ZMKAJLXYHBZAPD-OAHLLOKOSA-N 1 0 248.370 2.017 10 0 BEAERO CC[C@@H]1CN([C@@H](C)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000036769720 171093774 /nfs/dbraw/zinc/09/37/74/171093774.db2.gz DVODEXVWHHAHIY-CFVMTHIKSA-N 1 0 248.370 2.186 10 0 BEAERO CC[C@@H]1CN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000042901279 171094532 /nfs/dbraw/zinc/09/45/32/171094532.db2.gz PTXZEVSNNLSZJS-BPLDGKMQSA-N 1 0 248.370 2.186 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCF ZINC000375714873 171100085 /nfs/dbraw/zinc/10/00/85/171100085.db2.gz RZMHHYQNVMBZNC-OLZOCXBDSA-N 1 0 228.355 2.295 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccccn1 ZINC000068695184 171101957 /nfs/dbraw/zinc/10/19/57/171101957.db2.gz VXNLVUPUBHJNMU-CABCVRRESA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@@H]1CO[C@@H](c2cccc(F)c2)C[NH2+]1 ZINC000036672758 171110446 /nfs/dbraw/zinc/11/04/46/171110446.db2.gz ALYPCOPSVXIWIW-VXGBXAGGSA-N 1 0 209.264 2.265 10 0 BEAERO CC[C@@H]1CO[C@@H](c2ccc(OC)cc2)C[NH2+]1 ZINC000036672866 171110906 /nfs/dbraw/zinc/11/09/06/171110906.db2.gz SITSGZLMIKJUHX-DGCLKSJQSA-N 1 0 221.300 2.135 10 0 BEAERO CC[C@@](C)(C[NH3+])N(C)Cc1ccccc1 ZINC000019471143 171166025 /nfs/dbraw/zinc/16/60/25/171166025.db2.gz XCHVGOQLWJTTQY-ZDUSSCGKSA-N 1 0 206.333 2.246 10 0 BEAERO CC[C@@](C)(C[NH2+]C)CN(C)Cc1ccccn1 ZINC000051217478 171166158 /nfs/dbraw/zinc/16/61/58/171166158.db2.gz HUEJUGICOREVBW-AWEZNQCLSA-N 1 0 235.375 2.149 10 0 BEAERO CC[C@@](C)(C[NH3+])N1CCc2ccccc21 ZINC000019435743 171166724 /nfs/dbraw/zinc/16/67/24/171166724.db2.gz YXUFQRSVPKAFKP-ZDUSSCGKSA-N 1 0 204.317 2.177 10 0 BEAERO CC[C@@](C)(C[NH3+])CN1CCOc2ccccc2C1 ZINC000063013538 171167483 /nfs/dbraw/zinc/16/74/83/171167483.db2.gz ZUAKSNPNCKBPDN-HNNXBMFYSA-N 1 0 248.370 2.256 10 0 BEAERO CC[C@@](C)([NH3+])c1nc(-c2cnn(C)c2)cs1 ZINC000044495460 171172408 /nfs/dbraw/zinc/17/24/08/171172408.db2.gz KVJCKZPOXWWGIA-LLVKDONJSA-N 1 0 236.344 2.128 10 0 BEAERO CC[C@@](C)([NH2+]C)c1nc2c(s1)CCC2 ZINC000041060805 171173704 /nfs/dbraw/zinc/17/37/04/171173704.db2.gz XSOZAXNCJSHKBO-LLVKDONJSA-N 1 0 210.346 2.476 10 0 BEAERO CC[C@@](C)(O)C[NH2+]C/C=C/c1ccccc1OC ZINC000111384897 171182692 /nfs/dbraw/zinc/18/26/92/171182692.db2.gz MNCTWRVVYGKLQW-LOWQCSRCSA-N 1 0 249.354 2.459 10 0 BEAERO CC[C@@](C)(O)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000119433748 171182902 /nfs/dbraw/zinc/18/29/02/171182902.db2.gz WAPJUPNDUXWQHA-GFCCVEGCSA-N 1 0 242.388 2.437 10 0 BEAERO CC[C@@]([NH3+])(c1noc(C(C)C)n1)C(C)C ZINC000037755134 171193736 /nfs/dbraw/zinc/19/37/36/171193736.db2.gz VYEBKLWVHCEGTA-NSHDSACASA-N 1 0 211.309 2.413 10 0 BEAERO CC[C@H](C)C(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000037747700 171253337 /nfs/dbraw/zinc/25/33/37/171253337.db2.gz JCZRGQVFYILGCE-QWRGUYRKSA-N 1 0 234.343 2.369 10 0 BEAERO CC[C@H](C)C(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000037747702 171254082 /nfs/dbraw/zinc/25/40/82/171254082.db2.gz JCZRGQVFYILGCE-WDEREUQCSA-N 1 0 234.343 2.369 10 0 BEAERO CC[C@H](C)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037482000 171269212 /nfs/dbraw/zinc/26/92/12/171269212.db2.gz ARRAXYRROOHNBN-UNXYVOJBSA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@H](C)C[N@H+](C)CC(=O)Nc1cccc(N)c1 ZINC000037172349 171272246 /nfs/dbraw/zinc/27/22/46/171272246.db2.gz ONPVCVICOVXOEV-NSHDSACASA-N 1 0 249.358 2.185 10 0 BEAERO CC[C@H](C)CN(C)c1nc2ccccn2c1C[NH3+] ZINC000035449483 171275831 /nfs/dbraw/zinc/27/58/31/171275831.db2.gz PTOVYYRUVPTTNI-NSHDSACASA-N 1 0 246.358 2.275 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@@H]1CNc2ccccc2O1 ZINC000054475651 171284801 /nfs/dbraw/zinc/28/48/01/171284801.db2.gz HJNALOMCCIQJOS-NWDGAFQWSA-N 1 0 234.343 2.495 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@H]1CC12CCOCC2 ZINC000336738970 171285713 /nfs/dbraw/zinc/28/57/13/171285713.db2.gz RXURLWFQRMCXOU-NWDGAFQWSA-N 1 0 211.349 2.439 10 0 BEAERO CC[C@H](C)Cn1cccc1C[NH2+]CCOC ZINC000085584278 171300788 /nfs/dbraw/zinc/30/07/88/171300788.db2.gz SEWGFKPMXDZSFU-LBPRGKRZSA-N 1 0 224.348 2.270 10 0 BEAERO CC[C@H](C)[N@H+](C)C[C@H](N)c1ccccc1OC ZINC000037109947 171308856 /nfs/dbraw/zinc/30/88/56/171308856.db2.gz PDHNCCWIUITGIP-AAEUAGOBSA-N 1 0 236.359 2.425 10 0 BEAERO CC[C@H](C)[N@H+](CCO)C[C@H]1Cc2ccccc2O1 ZINC000377165820 171313857 /nfs/dbraw/zinc/31/38/57/171313857.db2.gz RUPBLCFBWNWDQA-GXTWGEPZSA-N 1 0 249.354 2.083 10 0 BEAERO CC[C@H](C)N(CCOC)[C@@H](C[NH3+])c1ccco1 ZINC000042578309 171315390 /nfs/dbraw/zinc/31/53/90/171315390.db2.gz AIGYIPRSUFOMEP-RYUDHWBXSA-N 1 0 240.347 2.026 10 0 BEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])C1CCCCC1 ZINC000076622410 171327271 /nfs/dbraw/zinc/32/72/71/171327271.db2.gz WFBYRDWKRYIAOM-AAEUAGOBSA-N 1 0 240.391 2.446 10 0 BEAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1cccs1 ZINC000057533472 171327412 /nfs/dbraw/zinc/32/74/12/171327412.db2.gz OTVPVEVWCDTJEC-UWVGGRQHSA-N 1 0 240.372 2.095 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000037617364 171338808 /nfs/dbraw/zinc/33/88/08/171338808.db2.gz CEIQBLIXCXOSCP-GXSJLCMTSA-N 1 0 238.331 2.153 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)c1cc(F)ccc1OC ZINC000049829660 171339011 /nfs/dbraw/zinc/33/90/11/171339011.db2.gz XDYMSDJWNKZXGL-VIFPVBQESA-N 1 0 239.290 2.405 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000020036633 171339265 /nfs/dbraw/zinc/33/92/65/171339265.db2.gz LPCCNIOHQOKMLP-NSHDSACASA-N 1 0 220.316 2.322 10 0 BEAERO CC[C@H](C)[NH2+]CCOc1ccccc1N ZINC000041217949 171340709 /nfs/dbraw/zinc/34/07/09/171340709.db2.gz HYTAHFHYEPBZSK-JTQLQIEISA-N 1 0 208.305 2.036 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H]1CNc2ccccc2O1 ZINC000040408035 171342384 /nfs/dbraw/zinc/34/23/84/171342384.db2.gz IEOAPYXBAQSXEW-QWRGUYRKSA-N 1 0 220.316 2.248 10 0 BEAERO CC[C@H](C)[NH2+]Cc1nc(-c2cccnc2)c[nH]1 ZINC000037618040 171344458 /nfs/dbraw/zinc/34/44/58/171344458.db2.gz IRJHIIOJOZLMOS-JTQLQIEISA-N 1 0 230.315 2.360 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](CC)[C@H](O)C(F)(F)F ZINC000336665346 171346436 /nfs/dbraw/zinc/34/64/36/171346436.db2.gz VAMNZKUAPODLFM-FXQIFTODSA-N 1 0 213.243 2.076 10 0 BEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(C)cc1 ZINC000038065683 171347211 /nfs/dbraw/zinc/34/72/11/171347211.db2.gz HVQVPVDLIMDLFS-SMDDNHRTSA-N 1 0 234.343 2.084 10 0 BEAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(C)c(C)c1 ZINC000038065751 171347472 /nfs/dbraw/zinc/34/74/72/171347472.db2.gz KQGQOBDJDQWFCS-SWLSCSKDSA-N 1 0 248.370 2.392 10 0 BEAERO CC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000037140710 171348295 /nfs/dbraw/zinc/34/82/95/171348295.db2.gz RICICBYIETXHDI-WDEREUQCSA-N 1 0 236.363 2.454 10 0 BEAERO CC[C@H](C)OC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC000038037217 171351003 /nfs/dbraw/zinc/35/10/03/171351003.db2.gz XNTGYWBKUMFLNX-ONGXEEELSA-N 1 0 213.321 2.236 10 0 BEAERO CC[C@H](C)Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC000041166523 171355898 /nfs/dbraw/zinc/35/58/98/171355898.db2.gz LUCXUPRKUSIEBP-ZDUSSCGKSA-N 1 0 248.370 2.269 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502542 171366322 /nfs/dbraw/zinc/36/63/22/171366322.db2.gz OUHDEXDCASUPAF-YNEHKIRRSA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037017809 171371247 /nfs/dbraw/zinc/37/12/47/171371247.db2.gz UYSUOJLEXCPYQR-PTOFAABTSA-N 1 0 238.331 2.139 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nc(C(F)(F)F)c[nH]1 ZINC000088249897 171372072 /nfs/dbraw/zinc/37/20/72/171372072.db2.gz KGPBINPYSJDWBC-CAHLUQPWSA-N 1 0 221.226 2.474 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1nnc2n1CCCCC2 ZINC000036896171 171372236 /nfs/dbraw/zinc/37/22/36/171372236.db2.gz RJDBVEMMCJBBOW-GXSJLCMTSA-N 1 0 222.336 2.050 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042689314 171372260 /nfs/dbraw/zinc/37/22/60/171372260.db2.gz NJCPRKJMLINQJM-OBJOEFQTSA-N 1 0 242.407 2.107 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(O)c(C)c1 ZINC000122662855 171372735 /nfs/dbraw/zinc/37/27/35/171372735.db2.gz CUHYICUZTVGKBR-QPUJVOFHSA-N 1 0 236.315 2.013 10 0 BEAERO CC[C@H](C)[C@@](C)([NH3+])c1noc(C2CC2)n1 ZINC000037745404 171381940 /nfs/dbraw/zinc/38/19/40/171381940.db2.gz BPMUVEFWILSULA-WRWORJQWSA-N 1 0 209.293 2.167 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366343685 171394029 /nfs/dbraw/zinc/39/40/29/171394029.db2.gz CEHFQASNCMDTQR-CYDGBPFRSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(Cl)cn1 ZINC000040459096 171396719 /nfs/dbraw/zinc/39/67/19/171396719.db2.gz OZETUAZHRHYOMV-XVKPBYJWSA-N 1 0 241.722 2.047 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nc(C(F)(F)F)c[nH]1 ZINC000036877353 171397451 /nfs/dbraw/zinc/39/74/51/171397451.db2.gz KGPBINPYSJDWBC-FSPLSTOPSA-N 1 0 221.226 2.474 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1noc(C(F)(F)F)n1 ZINC000041050418 171398188 /nfs/dbraw/zinc/39/81/88/171398188.db2.gz ZUYQUEAIWDLFDM-WHFBIAKZSA-N 1 0 223.198 2.134 10 0 BEAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CC(=O)N2 ZINC000035495773 171399219 /nfs/dbraw/zinc/39/92/19/171399219.db2.gz IZAPCUJAHLMFJR-XPTSAGLGSA-N 1 0 232.327 2.488 10 0 BEAERO CC[C@H](C[NH2+]C(C)C)N1C[C@H](C)OC(C)(C)C1 ZINC000052543396 171437113 /nfs/dbraw/zinc/43/71/13/171437113.db2.gz VQXKVFQZUWJYJC-QWHCGFSZSA-N 1 0 242.407 2.262 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)[C@@H](CC)[NH2+]C)cc1 ZINC000662344965 412113862 /nfs/dbraw/zinc/11/38/62/412113862.db2.gz UFCJJTVXARSOCG-SMDDNHRTSA-N 1 0 248.370 2.424 10 0 BEAERO CC[C@H]([NH3+])CC(=O)Nc1c(C)cccc1C ZINC000039245191 171483540 /nfs/dbraw/zinc/48/35/40/171483540.db2.gz HEMJMQBXGCZYQM-NSHDSACASA-N 1 0 220.316 2.369 10 0 BEAERO CC[C@H]([NH3+])Cc1noc(-c2cc(C)ccc2F)n1 ZINC000054184485 171486603 /nfs/dbraw/zinc/48/66/03/171486603.db2.gz VJAMYEDXSSKNDX-VIFPVBQESA-N 1 0 249.289 2.464 10 0 BEAERO CC[C@H]([NH3+])Cc1cnn(Cc2ccccc2F)c1 ZINC000054741555 171486761 /nfs/dbraw/zinc/48/67/61/171486761.db2.gz HPUKNZJFIPWQEP-ZDUSSCGKSA-N 1 0 247.317 2.350 10 0 BEAERO CC[C@H]([NH3+])[C@@H](c1ccsc1)n1cccn1 ZINC000043124090 171488447 /nfs/dbraw/zinc/48/84/47/171488447.db2.gz NCPMVGFKWHIBQJ-WDEREUQCSA-N 1 0 221.329 2.271 10 0 BEAERO CC[C@H]([NH3+])c1ccccc1OCCOC ZINC000019280888 171491987 /nfs/dbraw/zinc/49/19/87/171491987.db2.gz MZZFYRIKXGLPGA-NSHDSACASA-N 1 0 209.289 2.122 10 0 BEAERO CC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C ZINC000042592687 171504225 /nfs/dbraw/zinc/50/42/25/171504225.db2.gz BFBZNUKQMRCLCP-KBPBESRZSA-N 1 0 248.370 2.107 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662517109 412202609 /nfs/dbraw/zinc/20/26/09/412202609.db2.gz QVIHGFBVBBNTCY-IINYFYTJSA-N 1 0 244.338 2.208 10 0 BEAERO CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])c1cccs1 ZINC000248448969 171506883 /nfs/dbraw/zinc/50/68/83/171506883.db2.gz DWQMJGXJLISUDM-UTLUCORTSA-N 1 0 240.372 2.299 10 0 BEAERO CC[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(O)cc1 ZINC000038088549 171527043 /nfs/dbraw/zinc/52/70/43/171527043.db2.gz UNWSDQPKQFDQMI-FZMZJTMJSA-N 1 0 236.359 2.383 10 0 BEAERO CC[C@H]([NH2+][C@@H](CC)C1CC1)[C@@H](O)C(F)(F)F ZINC000309693398 171538960 /nfs/dbraw/zinc/53/89/60/171538960.db2.gz KGYYNRRZCGGWAO-LPEHRKFASA-N 1 0 239.281 2.466 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCC1CCC1 ZINC000662665274 412263203 /nfs/dbraw/zinc/26/32/03/412263203.db2.gz HKDXXCLLFZXEGJ-LBPRGKRZSA-N 1 0 226.364 2.056 10 0 BEAERO CC[C@H](c1ccccc1)[n+]1ccn(C)c1 ZINC000095934772 171600271 /nfs/dbraw/zinc/60/02/71/171600271.db2.gz OORRFNAAUXNLIG-CYBMUJFWSA-N 1 0 201.293 2.312 10 0 BEAERO CC[C@H]1CCN(c2ccccc2OC)CC[NH2+]1 ZINC000049660827 171633637 /nfs/dbraw/zinc/63/36/37/171633637.db2.gz HHFQBVSNNLXTRA-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO CC[C@@H](C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662628280 412244841 /nfs/dbraw/zinc/24/48/41/412244841.db2.gz XDHOCFLVBIQOQT-VXGBXAGGSA-N 1 0 226.364 2.071 10 0 BEAERO CC[C@H](C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000662628433 412246398 /nfs/dbraw/zinc/24/63/98/412246398.db2.gz ZRAQXFUEZXPAAS-AAEUAGOBSA-N 1 0 226.364 2.071 10 0 BEAERO CCC[C@H]([NH3+])C(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000662627234 412247722 /nfs/dbraw/zinc/24/77/22/412247722.db2.gz CQBREQHWQQDIEC-WZRBSPASSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@H]1C[N@H+](C2Cc3ccccc3C2)[C@H](C)CN1 ZINC000083373149 171654608 /nfs/dbraw/zinc/65/46/08/171654608.db2.gz UWXTZAZTRMZVLV-DOMZBBRYSA-N 1 0 244.382 2.226 10 0 BEAERO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(CC)(CC)CO ZINC000051295434 171672600 /nfs/dbraw/zinc/67/26/00/171672600.db2.gz GNEHJWDCVCXBFJ-STQMWFEESA-N 1 0 243.391 2.284 10 0 BEAERO CC[C@H]1C[C@H](C)CN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367281967 171678716 /nfs/dbraw/zinc/67/87/16/171678716.db2.gz FOSBTBDDSMPCAR-QNWHQSFQSA-N 1 0 238.375 2.022 10 0 BEAERO CC[C@](O)(C[NH2+]C)c1cccc(Cl)c1 ZINC000055032671 171710319 /nfs/dbraw/zinc/71/03/19/171710319.db2.gz GIRQGWGZLCKZDX-NSHDSACASA-N 1 0 213.708 2.157 10 0 BEAERO CCc1c(C)nn(CC2CC[NH2+]CC2)c1C ZINC000043497866 171741684 /nfs/dbraw/zinc/74/16/84/171741684.db2.gz PAMHUOIXQMQNJT-UHFFFAOYSA-N 1 0 221.348 2.062 10 0 BEAERO CCc1cc2c(cc1[C@@H](C)[NH3+])OCCO2 ZINC000039101220 171776041 /nfs/dbraw/zinc/77/60/41/171776041.db2.gz SBQWUFYPJRWCHO-MRVPVSSYSA-N 1 0 207.273 2.040 10 0 BEAERO CCc1ccc(C(=O)N(CC)C[C@H](C)C[NH3+])cc1 ZINC000042441675 171784273 /nfs/dbraw/zinc/78/42/73/171784273.db2.gz FLIGOKZPIWVASG-GFCCVEGCSA-N 1 0 248.370 2.306 10 0 BEAERO CCc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038049457 171787786 /nfs/dbraw/zinc/78/77/86/171787786.db2.gz QVIJCKIGQQBBLU-KGLIPLIRSA-N 1 0 246.354 2.249 10 0 BEAERO CCc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)s1 ZINC000019475123 171788611 /nfs/dbraw/zinc/78/86/11/171788611.db2.gz JVJJUNMDDLRTES-SECBINFHSA-N 1 0 223.341 2.493 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1nccnc1CCC ZINC000663271432 412403323 /nfs/dbraw/zinc/40/33/23/412403323.db2.gz AGMSFYIBMKIMFJ-LLVKDONJSA-N 1 0 236.363 2.359 10 0 BEAERO CCCc1nccnc1NC1CCC([NH3+])CC1 ZINC000663271038 412403507 /nfs/dbraw/zinc/40/35/07/412403507.db2.gz WDNMJOYXBSJKNI-UHFFFAOYSA-N 1 0 234.347 2.111 10 0 BEAERO CCCc1nccnc1NC[C@]1(C)CCC[NH2+]C1 ZINC000663272392 412404671 /nfs/dbraw/zinc/40/46/71/412404671.db2.gz NGUWUKBVWANFRZ-CQSZACIVSA-N 1 0 248.374 2.231 10 0 BEAERO Fc1cc(Cl)cnc1NCC12CC(C1)C[NH2+]2 ZINC000663274386 412404693 /nfs/dbraw/zinc/40/46/93/412404693.db2.gz NBOSKOMVADINAB-UHFFFAOYSA-N 1 0 241.697 2.038 10 0 BEAERO C[NH2+]C[C@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000663278528 412407183 /nfs/dbraw/zinc/40/71/83/412407183.db2.gz JEHQFIUSVXLCFI-ZETCQYMHSA-N 1 0 233.237 2.120 10 0 BEAERO CCc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000049660581 171816932 /nfs/dbraw/zinc/81/69/32/171816932.db2.gz FKNIRCUEYVHMFR-UHFFFAOYSA-N 1 0 204.317 2.049 10 0 BEAERO CCc1ccc([C@@H]([NH3+])[C@H]2CCOC2)s1 ZINC000048622759 171834647 /nfs/dbraw/zinc/83/46/47/171834647.db2.gz HKCYIBZTKPGXGR-KWQFWETISA-N 1 0 211.330 2.347 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC)cc1 ZINC000037977774 171840888 /nfs/dbraw/zinc/84/08/88/171840888.db2.gz VQYXWYUMCKXHOJ-WDEREUQCSA-N 1 0 234.343 2.034 10 0 BEAERO CCc1ccc2c(c1)[C@H]1C[NH2+]CC[C@H]1N2 ZINC000039242242 171850028 /nfs/dbraw/zinc/85/00/28/171850028.db2.gz LPJBTSDXUWITRR-DGCLKSJQSA-N 1 0 202.301 2.120 10 0 BEAERO CCc1cccc(OCC[C@H](O)[C@H]2CCC[NH2+]2)c1 ZINC000041304283 171865982 /nfs/dbraw/zinc/86/59/82/171865982.db2.gz NPPCVMPBJBTRMI-CABCVRRESA-N 1 0 249.354 2.131 10 0 BEAERO CCc1cccc(OC[C@H]2CC[C@@H](C[NH3+])O2)c1 ZINC000052647863 171866347 /nfs/dbraw/zinc/86/63/47/171866347.db2.gz HVHYTNGGSSGCIS-UONOGXRCSA-N 1 0 235.327 2.134 10 0 BEAERO CCc1cccc2c([C@@H](O)CC[NH3+])c[nH]c21 ZINC000082368276 171868385 /nfs/dbraw/zinc/86/83/85/171868385.db2.gz RPGYWRFVUOFFBV-LBPRGKRZSA-N 1 0 218.300 2.113 10 0 BEAERO CCc1ccccc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282393675 171882117 /nfs/dbraw/zinc/88/21/17/171882117.db2.gz PCVVPWQPPIOPBO-BXUZGUMPSA-N 1 0 246.354 2.006 10 0 BEAERO CCc1csc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000061895106 171933910 /nfs/dbraw/zinc/93/39/10/171933910.db2.gz KMUMYFLSKDMENJ-JTQLQIEISA-N 1 0 226.345 2.226 10 0 BEAERO CCc1nc(-c2ccncc2)sc1C[NH2+]C ZINC000082423032 171940351 /nfs/dbraw/zinc/94/03/51/171940351.db2.gz YATLDUWDHOWKHU-UHFFFAOYSA-N 1 0 233.340 2.487 10 0 BEAERO CCc1nc([C@@H]([NH3+])[C@@H]2CCOC2)sc1C ZINC000041060239 172004615 /nfs/dbraw/zinc/00/46/15/172004615.db2.gz OJJJUZPGIMPQRP-SCZZXKLOSA-N 1 0 226.345 2.050 10 0 BEAERO CCc1nc2c(cc(Br)cc2N)[nH]1 ZINC000082327989 172008897 /nfs/dbraw/zinc/00/88/97/172008897.db2.gz RXPQCXVUOQHAHK-UHFFFAOYSA-N 1 0 240.104 2.470 10 0 BEAERO CCc1nc2c(N)ccc(Cl)n2c1C ZINC000074374740 172008947 /nfs/dbraw/zinc/00/89/47/172008947.db2.gz KRCDOYBKZDYHNM-UHFFFAOYSA-N 1 0 209.680 2.441 10 0 BEAERO CCc1nc2ccccc2n1[C@@H](CC)C(N)=[NH2+] ZINC000062807751 172013979 /nfs/dbraw/zinc/01/39/79/172013979.db2.gz XXMVTCYMZDFIPV-JTQLQIEISA-N 1 0 230.315 2.486 10 0 BEAERO CCc1nccn1[C@H]1CCCC[C@@H]1[NH2+]C ZINC000044037463 172028731 /nfs/dbraw/zinc/02/87/31/172028731.db2.gz YJFRFDGJGUAAJU-QWRGUYRKSA-N 1 0 207.321 2.149 10 0 BEAERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000106217681 172028971 /nfs/dbraw/zinc/02/89/71/172028971.db2.gz NRUDSSFHPNHHAF-CYBMUJFWSA-N 1 0 249.358 2.062 10 0 BEAERO CCc1nccn1[C@@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043124268 172029677 /nfs/dbraw/zinc/02/96/77/172029677.db2.gz OIZROEMEJNARAH-JOYOIKCWSA-N 1 0 235.356 2.444 10 0 BEAERO CCc1nccn1[C@H]1CCCC[C@H]1[NH2+]C ZINC000044037469 172029794 /nfs/dbraw/zinc/02/97/94/172029794.db2.gz YJFRFDGJGUAAJU-MNOVXSKESA-N 1 0 207.321 2.149 10 0 BEAERO CCc1ncnc(N[C@@H](C)CCCC[NH3+])c1F ZINC000310123193 172033216 /nfs/dbraw/zinc/03/32/16/172033216.db2.gz AEBOJHRWJZCLOS-VIFPVBQESA-N 1 0 240.326 2.108 10 0 BEAERO CCc1noc(C2([NH3+])CCC(CC)CC2)n1 ZINC000041038592 172082613 /nfs/dbraw/zinc/08/26/13/172082613.db2.gz IDNGZSIFBICITM-UHFFFAOYSA-N 1 0 223.320 2.386 10 0 BEAERO CCc1noc(COc2cccc([C@H](C)[NH3+])c2)n1 ZINC000037698308 172084865 /nfs/dbraw/zinc/08/48/65/172084865.db2.gz RRWCHUJPRDLJAM-VIFPVBQESA-N 1 0 247.298 2.231 10 0 BEAERO CCc1nsc(N[C@H](C)CCCC[NH3+])n1 ZINC000308810009 172106930 /nfs/dbraw/zinc/10/69/30/172106930.db2.gz CBKZAVIECBCHDW-MRVPVSSYSA-N 1 0 228.365 2.030 10 0 BEAERO CCn1c2ccc([C@@H]([NH3+])C(C)C)cc2oc1=O ZINC000051363267 172133222 /nfs/dbraw/zinc/13/32/22/172133222.db2.gz ZTLGYQQAYPWGKY-LBPRGKRZSA-N 1 0 234.299 2.270 10 0 BEAERO CCn1c(C[NH2+]C)nc2ccc(Cl)cc21 ZINC000040417252 172145229 /nfs/dbraw/zinc/14/52/29/172145229.db2.gz PWOBXQWYIXVGAK-UHFFFAOYSA-N 1 0 223.707 2.429 10 0 BEAERO CCn1cc(CC2([NH3+])CCCCC2)cn1 ZINC000050541595 172158435 /nfs/dbraw/zinc/15/84/35/172158435.db2.gz CFBKGXMIXYBSBA-UHFFFAOYSA-N 1 0 207.321 2.107 10 0 BEAERO CCn1cc(C[NH2+]C[C@H](C)O)c2ccccc21 ZINC000040743884 172172979 /nfs/dbraw/zinc/17/29/79/172172979.db2.gz VYMKXHOFSQVHBI-NSHDSACASA-N 1 0 232.327 2.132 10 0 BEAERO CCn1cc(C[C@@H]([NH3+])c2cccc(F)c2)cn1 ZINC000050542340 172177087 /nfs/dbraw/zinc/17/70/87/172177087.db2.gz VVKWNODCJNWSNL-CYBMUJFWSA-N 1 0 233.290 2.285 10 0 BEAERO CCn1cc(C[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000050542423 172177420 /nfs/dbraw/zinc/17/74/20/172177420.db2.gz VWGNPXMLBBZGRO-CQSZACIVSA-N 1 0 229.327 2.016 10 0 BEAERO CCn1cc([C@H]([NH3+])c2cccc(F)c2)cn1 ZINC000043468955 172198952 /nfs/dbraw/zinc/19/89/52/172198952.db2.gz QEEYEEXKIWRIIW-GFCCVEGCSA-N 1 0 219.263 2.090 10 0 BEAERO CCn1cc([C@](C)([NH3+])c2ccccc2)cn1 ZINC000043467798 172199211 /nfs/dbraw/zinc/19/92/11/172199211.db2.gz XNDCHOHNQVQQLD-CYBMUJFWSA-N 1 0 215.300 2.125 10 0 BEAERO CCn1cccc1C[NH2+]CC(CC)(CC)CO ZINC000230221187 172207670 /nfs/dbraw/zinc/20/76/70/172207670.db2.gz DDIVJTQNZXUQJR-UHFFFAOYSA-N 1 0 238.375 2.396 10 0 BEAERO CCn1cccc1C[NH2+]Cc1cccnc1 ZINC000085608486 172207915 /nfs/dbraw/zinc/20/79/15/172207915.db2.gz KAUAITVKZYKSOD-UHFFFAOYSA-N 1 0 215.300 2.193 10 0 BEAERO CCn1cccc1C[NH2+]CCC[C@@H](C)CO ZINC000228302443 172208048 /nfs/dbraw/zinc/20/80/48/172208048.db2.gz MUDLJAOCHHDPPW-GFCCVEGCSA-N 1 0 224.348 2.006 10 0 BEAERO CCn1cccc1C[NH2+]CCN1CCC(C)CC1 ZINC000091127447 172208310 /nfs/dbraw/zinc/20/83/10/172208310.db2.gz YHJFIUFWOCVZEU-UHFFFAOYSA-N 1 0 249.402 2.330 10 0 BEAERO CCn1ccnc1C[C@@H]([NH3+])Cc1ccccc1 ZINC000061881040 172226746 /nfs/dbraw/zinc/22/67/46/172226746.db2.gz JDWNQGVCSZHIPD-ZDUSSCGKSA-N 1 0 229.327 2.016 10 0 BEAERO CCn1cc[nH+]c1NCc1ccccc1N ZINC000050614451 172227457 /nfs/dbraw/zinc/22/74/57/172227457.db2.gz DURKYASURZCIQQ-UHFFFAOYSA-N 1 0 216.288 2.097 10 0 BEAERO CCn1ccnc1[C@H]([NH3+])c1cccc(N(C)C)c1 ZINC000011735826 172229209 /nfs/dbraw/zinc/22/92/09/172229209.db2.gz YGRRKGBVIGVFAL-CYBMUJFWSA-N 1 0 244.342 2.017 10 0 BEAERO CCn1ccnc1[C@@H]([NH3+])c1ccccc1C ZINC000011735287 172229538 /nfs/dbraw/zinc/22/95/38/172229538.db2.gz ISGUMRYZGHFDOP-LBPRGKRZSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1cnnc1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000120175496 172239890 /nfs/dbraw/zinc/23/98/90/172239890.db2.gz STYVQAMPMUUPCJ-GFCCVEGCSA-N 1 0 248.374 2.420 10 0 BEAERO CN(C(=O)C(C)(C)[NH3+])c1ccc(Cl)s1 ZINC000077365086 172295436 /nfs/dbraw/zinc/29/54/36/172295436.db2.gz FHIVUPMNKYXWCT-UHFFFAOYSA-N 1 0 232.736 2.102 10 0 BEAERO CN(C(=O)C1([NH3+])CCCC1)C1CCCCCC1 ZINC000037616190 172296764 /nfs/dbraw/zinc/29/67/64/172296764.db2.gz GDIJUNWHKGMCRM-UHFFFAOYSA-N 1 0 238.375 2.439 10 0 BEAERO CN(C(=O)CC(F)(F)F)c1cccc(C[NH3+])c1 ZINC000061950061 172301407 /nfs/dbraw/zinc/30/14/07/172301407.db2.gz LFDQETLVKYBINA-UHFFFAOYSA-N 1 0 246.232 2.061 10 0 BEAERO CN(C(=O)c1ccccc1)c1cccc(C[NH3+])c1 ZINC000061950355 172341841 /nfs/dbraw/zinc/34/18/41/172341841.db2.gz JKCXKCSBAVOBOI-UHFFFAOYSA-N 1 0 240.306 2.422 10 0 BEAERO CN(C)C(=O)C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035012529 172371794 /nfs/dbraw/zinc/37/17/94/172371794.db2.gz WTGYMWQYWLUJDW-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO CN(C)C(=S)SC[NH+]1CCCCC1 ZINC000031719707 172393062 /nfs/dbraw/zinc/39/30/62/172393062.db2.gz ISLFJOPPIKIHHW-UHFFFAOYSA-N 1 0 218.391 2.010 10 0 BEAERO C[NH+](C)CCN1CCc2oc3ccccc3c2C1 ZINC000038540525 172456577 /nfs/dbraw/zinc/45/65/77/172456577.db2.gz DPDFOVUFSSVITC-UHFFFAOYSA-N 1 0 244.338 2.353 10 0 BEAERO CN(CC(C)(C)C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055090513 172621920 /nfs/dbraw/zinc/62/19/20/172621920.db2.gz OATFSOGOQZCAGJ-WDEREUQCSA-N 1 0 226.364 2.008 10 0 BEAERO C[N@H+](CC1CCOCC1)[C@H]1CCCCC[C@@H]1O ZINC000104198628 172661450 /nfs/dbraw/zinc/66/14/50/172661450.db2.gz QHELMOBHVDVHTE-KBPBESRZSA-N 1 0 241.375 2.038 10 0 BEAERO CN(C[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000049965125 172827580 /nfs/dbraw/zinc/82/75/80/172827580.db2.gz DZBLVQHMDBTGCR-GFCCVEGCSA-N 1 0 222.307 2.404 10 0 BEAERO CN(C[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000050004411 172828389 /nfs/dbraw/zinc/82/83/89/172828389.db2.gz QUTJNOGXACUNPV-NSHDSACASA-N 1 0 222.307 2.262 10 0 BEAERO CN(Cc1ccccc1F)c1ccc(C[NH3+])cn1 ZINC000036791917 172875250 /nfs/dbraw/zinc/87/52/50/172875250.db2.gz JLKNBJPHYFVSDH-UHFFFAOYSA-N 1 0 245.301 2.316 10 0 BEAERO CN(Cc1cccs1)C[C@H]1CCCC[NH2+]1 ZINC000035717803 172895242 /nfs/dbraw/zinc/89/52/42/172895242.db2.gz VWCBMERVQNEFRL-LLVKDONJSA-N 1 0 224.373 2.322 10 0 BEAERO CN(c1cccc(C(F)(F)F)n1)C1CC([NH3+])C1 ZINC000335661466 172949394 /nfs/dbraw/zinc/94/93/94/172949394.db2.gz SWZOLSDCOKIOEZ-UHFFFAOYSA-N 1 0 245.248 2.026 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2cnnc3ccccc32)C1 ZINC000104119452 173022093 /nfs/dbraw/zinc/02/20/93/173022093.db2.gz RVHNYBXFUKSZOU-LLVKDONJSA-N 1 0 242.326 2.136 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072187553 173022541 /nfs/dbraw/zinc/02/25/41/173022541.db2.gz AXWBMIPPHZLKTN-LLVKDONJSA-N 1 0 215.300 2.324 10 0 BEAERO C[N@@H+]1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355774 173036170 /nfs/dbraw/zinc/03/61/70/173036170.db2.gz AXPBIJQATGCDGD-CYBMUJFWSA-N 1 0 240.310 2.305 10 0 BEAERO CN1CCC[C@H](C[NH3+])[C@H]1c1ccc(F)cc1 ZINC000082363305 173042666 /nfs/dbraw/zinc/04/26/66/173042666.db2.gz LXOUXRZJIFLCRU-DGCLKSJQSA-N 1 0 222.307 2.167 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccc(F)cc2F)C1 ZINC000061984658 173125193 /nfs/dbraw/zinc/12/51/93/173125193.db2.gz WAACKVUESJHXJW-SECBINFHSA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccc(Cl)cc2)C1 ZINC000061984638 173125634 /nfs/dbraw/zinc/12/56/34/173125634.db2.gz LVFARQMBEKPLTC-LLVKDONJSA-N 1 0 210.708 2.456 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2cccc(Cl)c2)C1 ZINC000061984634 173126454 /nfs/dbraw/zinc/12/64/54/173126454.db2.gz HKEUUDWVPNNXIJ-LLVKDONJSA-N 1 0 210.708 2.456 10 0 BEAERO C[N@@H+]1CC[C@@H](Oc2cc(N)ccc2Cl)C1 ZINC000066347700 173127574 /nfs/dbraw/zinc/12/75/74/173127574.db2.gz SXOQPNTZRMVGBT-SECBINFHSA-N 1 0 226.707 2.005 10 0 BEAERO C[N@@H+]1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1 ZINC000000016077 173133292 /nfs/dbraw/zinc/13/32/92/173133292.db2.gz YASBOGFWAMXINH-TZMCWYRMSA-N 1 0 228.339 2.098 10 0 in-vitro BEAERO C[N@@H+]1CC[C@](O)(c2cccc3ccccc32)C1 ZINC000061987198 173166093 /nfs/dbraw/zinc/16/60/93/173166093.db2.gz HBMKNIIYEZHSLK-OAHLLOKOSA-N 1 0 227.307 2.363 10 0 BEAERO CN1CCc2nc([C@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059682 173172865 /nfs/dbraw/zinc/17/28/65/173172865.db2.gz WNHFODHAXFTTMI-JTQLQIEISA-N 1 0 239.388 2.177 10 0 BEAERO C[N@@H+]1CCc2nc(-c3cccc(N)c3)sc2C1 ZINC000036912354 173174940 /nfs/dbraw/zinc/17/49/40/173174940.db2.gz ZFDLAHKCUDGEAT-UHFFFAOYSA-N 1 0 245.351 2.380 10 0 BEAERO C[N@@H+]1C[C@@H]2C[C@]2(c2ccc(F)c(F)c2)C1 ZINC000034894426 173189790 /nfs/dbraw/zinc/18/97/90/173189790.db2.gz WXIVKHRXEAQSCE-JOYOIKCWSA-N 1 0 209.239 2.168 10 0 BEAERO CN1C[C@H]([NH2+]CCC2CCCCC2)CCC1=O ZINC000125103816 173194745 /nfs/dbraw/zinc/19/47/45/173194745.db2.gz CLUKBYVDYIUEFK-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO C[N@@H+]1Cc2ccccc2[C@@](O)(c2ccccc2)C1 ZINC000026378478 173202723 /nfs/dbraw/zinc/20/27/23/173202723.db2.gz KEVNEIPRCIYVOT-INIZCTEOSA-N 1 0 239.318 2.368 10 0 BEAERO CNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000037207590 173277911 /nfs/dbraw/zinc/27/79/11/173277911.db2.gz JKBUEZMPXWYBAF-NSHDSACASA-N 1 0 242.322 2.236 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000061300566 173317835 /nfs/dbraw/zinc/31/78/35/173317835.db2.gz BIRQCFHFXKBNEX-RYUDHWBXSA-N 1 0 238.375 2.166 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000061319285 173318426 /nfs/dbraw/zinc/31/84/26/173318426.db2.gz BPRSJAGFDJCFRO-JTQLQIEISA-N 1 0 226.364 2.069 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(F)cc(F)c1F ZINC000061319382 173318451 /nfs/dbraw/zinc/31/84/51/173318451.db2.gz HTAUIPNTLOOWFA-UHFFFAOYSA-N 1 0 246.232 2.040 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(Cl)ccc1F ZINC000061300415 173318537 /nfs/dbraw/zinc/31/85/37/173318537.db2.gz AIPJAHCSWYDCMD-UHFFFAOYSA-N 1 0 244.697 2.416 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000061318869 173318617 /nfs/dbraw/zinc/31/86/17/173318617.db2.gz GNMJTAFYGYJMMK-VIFPVBQESA-N 1 0 240.372 2.232 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1Cl ZINC000061300200 173319065 /nfs/dbraw/zinc/31/90/65/173319065.db2.gz ZCCMTKWQNVIERE-UHFFFAOYSA-N 1 0 226.707 2.277 10 0 BEAERO C[NH2+]C(C)(C)CN(C)[C@@H]1CCCC[C@H]1C ZINC000061319751 173319711 /nfs/dbraw/zinc/31/97/11/173319711.db2.gz KXWAYMHUBREZGN-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000061149775 173320695 /nfs/dbraw/zinc/32/06/95/173320695.db2.gz GNPXQLFNGNMWEL-UHFFFAOYSA-N 1 0 203.289 2.028 10 0 BEAERO C[NH2+]C(C)(C)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000061149863 173321368 /nfs/dbraw/zinc/32/13/68/173321368.db2.gz SLQXSEHZUZWQHP-UHFFFAOYSA-N 1 0 249.314 2.035 10 0 BEAERO C[NH2+]C1(CN)CCC(c2ccccc2)CC1 ZINC000050269762 173321380 /nfs/dbraw/zinc/32/13/80/173321380.db2.gz FUXPDOLGSZVSNZ-UHFFFAOYSA-N 1 0 218.344 2.261 10 0 BEAERO C[NH2+]C1CCN([C@@H](C)c2ccsc2)CC1 ZINC000061363793 173323942 /nfs/dbraw/zinc/32/39/42/173323942.db2.gz KWPJVQAETLAKJG-JTQLQIEISA-N 1 0 224.373 2.493 10 0 BEAERO C[NH2+]C1CCN([C@H](C)c2ccsc2)CC1 ZINC000061363795 173324241 /nfs/dbraw/zinc/32/42/41/173324241.db2.gz KWPJVQAETLAKJG-SNVBAGLBSA-N 1 0 224.373 2.493 10 0 BEAERO C[NH2+]C1CCN([C@@H](C)c2ccc(C)o2)CC1 ZINC000049216725 173324268 /nfs/dbraw/zinc/32/42/68/173324268.db2.gz YXVQILHLVUMFTF-NSHDSACASA-N 1 0 222.332 2.333 10 0 BEAERO C[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000054934438 173337214 /nfs/dbraw/zinc/33/72/14/173337214.db2.gz JWTOXTAQVYCPLJ-UHFFFAOYSA-N 1 0 215.243 2.342 10 0 BEAERO C[NH2+]CC1(c2cccc(F)c2)CCOCC1 ZINC000053738796 173337557 /nfs/dbraw/zinc/33/75/57/173337557.db2.gz FSGKRRHDDOIXQN-UHFFFAOYSA-N 1 0 223.291 2.093 10 0 BEAERO C[NH2+]CC1CCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC000237313113 173338924 /nfs/dbraw/zinc/33/89/24/173338924.db2.gz OLOLFCUFXOMZOE-LBPRGKRZSA-N 1 0 240.391 2.127 10 0 BEAERO C[NH2+]CCCCc1ccc(OC)cc1OC ZINC000036161327 173345658 /nfs/dbraw/zinc/34/56/58/173345658.db2.gz XAGSWZTZCFNVQU-UHFFFAOYSA-N 1 0 223.316 2.246 10 0 BEAERO C[NH2+]CCCc1nc2c(cccc2Cl)[nH]1 ZINC000037443851 173350763 /nfs/dbraw/zinc/35/07/63/173350763.db2.gz VAJAXZUOJLCHJT-UHFFFAOYSA-N 1 0 223.707 2.368 10 0 BEAERO C[NH2+]CCCc1nnc(Cc2ccc(C)cc2)o1 ZINC000050616793 173351105 /nfs/dbraw/zinc/35/11/05/173351105.db2.gz OZOFRMXSZAERJQ-UHFFFAOYSA-N 1 0 245.326 2.121 10 0 BEAERO C[NH2+]CCCc1nnc(-c2ccccc2C)o1 ZINC000050616623 173351247 /nfs/dbraw/zinc/35/12/47/173351247.db2.gz BKQUTMZVVYNHLY-UHFFFAOYSA-N 1 0 231.299 2.197 10 0 BEAERO C[NH2+]CCN(C)CCc1ccc(F)c(Cl)c1 ZINC000077397754 173352526 /nfs/dbraw/zinc/35/25/26/173352526.db2.gz PPTJJLLVWQLDFE-UHFFFAOYSA-N 1 0 244.741 2.173 10 0 BEAERO C[NH2+]CCOCCc1ccc(Cl)cc1 ZINC000077306147 173356658 /nfs/dbraw/zinc/35/66/58/173356658.db2.gz VIBUPZFSUINOIE-UHFFFAOYSA-N 1 0 213.708 2.119 10 0 BEAERO C[NH2+]CCOCc1ccc(OC)cc1Cl ZINC000077358836 173356757 /nfs/dbraw/zinc/35/67/57/173356757.db2.gz XPEJVJPLIBRSPW-UHFFFAOYSA-N 1 0 229.707 2.085 10 0 BEAERO C[NH2+]CCOCCc1ccc(C)cc1C ZINC000077300804 173356809 /nfs/dbraw/zinc/35/68/09/173356809.db2.gz VDIRHDHOYCOJGJ-UHFFFAOYSA-N 1 0 207.317 2.082 10 0 BEAERO C[NH2+]CCOCc1ccc2c(c1)ncn2C1CC1 ZINC000077399927 173356823 /nfs/dbraw/zinc/35/68/23/173356823.db2.gz BHDGGVHEDMNPGN-UHFFFAOYSA-N 1 0 245.326 2.107 10 0 BEAERO C[NH2+]CC[C@@H](C)Oc1ccccc1OC ZINC000041218705 173357369 /nfs/dbraw/zinc/35/73/69/173357369.db2.gz NKMLOLITGZKTNL-SNVBAGLBSA-N 1 0 209.289 2.072 10 0 BEAERO C[NH2+]CC[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000011630072 173357899 /nfs/dbraw/zinc/35/78/99/173357899.db2.gz AWCKQZYGJUINTG-SNVBAGLBSA-N 1 0 221.300 2.171 10 0 BEAERO C[NH2+]CCOc1ccc2ccccc2c1 ZINC000019777004 173357923 /nfs/dbraw/zinc/35/79/23/173357923.db2.gz VDPZWNRWSJFHSF-UHFFFAOYSA-N 1 0 201.269 2.438 10 0 BEAERO C[NH2+]CCOc1cc(C)nc2ccccc21 ZINC000051866658 173357960 /nfs/dbraw/zinc/35/79/60/173357960.db2.gz RZQDFGSGSYQHJE-UHFFFAOYSA-N 1 0 216.284 2.141 10 0 BEAERO C[NH2+]CC[C@H](C)Oc1cccc(OC)c1 ZINC000041218721 173358635 /nfs/dbraw/zinc/35/86/35/173358635.db2.gz CZCVTZGXGXSPTK-JTQLQIEISA-N 1 0 209.289 2.072 10 0 BEAERO C[NH2+]CCc1c(C)nc(C(C)(C)C)nc1C ZINC000054838045 173358868 /nfs/dbraw/zinc/35/88/68/173358868.db2.gz FTZOCOMDEFKMKK-UHFFFAOYSA-N 1 0 221.348 2.153 10 0 BEAERO C[NH2+]CC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000071531206 173358897 /nfs/dbraw/zinc/35/88/97/173358897.db2.gz PPYLGHUFJXZANK-ZDUSSCGKSA-N 1 0 223.316 2.117 10 0 BEAERO C[NH2+]CCc1ccc(OCC(C)C)cc1 ZINC000071510765 173359444 /nfs/dbraw/zinc/35/94/44/173359444.db2.gz CWDYMBFTAZCVES-UHFFFAOYSA-N 1 0 207.317 2.483 10 0 BEAERO C[NH2+]CCc1nc2c(s1)C[C@@H](C)CC2 ZINC000041225101 173361176 /nfs/dbraw/zinc/36/11/76/173361176.db2.gz BBBQEFCBFWJWBX-QMMMGPOBSA-N 1 0 210.346 2.030 10 0 BEAERO C[NH2+]CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000049455643 173361747 /nfs/dbraw/zinc/36/17/47/173361747.db2.gz QYRLZAIVGBFQIS-UHFFFAOYSA-N 1 0 237.690 2.152 10 0 BEAERO C[NH2+]CCc1nnc(-c2ccccc2Cl)o1 ZINC000050619544 173361924 /nfs/dbraw/zinc/36/19/24/173361924.db2.gz LVYLWFQPIZANNH-UHFFFAOYSA-N 1 0 237.690 2.152 10 0 BEAERO C[NH2+]C[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000053608436 173364753 /nfs/dbraw/zinc/36/47/53/173364753.db2.gz XTMRULUCRZOFFV-MRVPVSSYSA-N 1 0 221.329 2.263 10 0 BEAERO C[NH2+]C[C@@H](C)c1c(C)nc(C2CC2)nc1C ZINC000054854657 173365024 /nfs/dbraw/zinc/36/50/24/173365024.db2.gz WXWXJUVBQOCGTH-MRVPVSSYSA-N 1 0 219.332 2.294 10 0 BEAERO C[NH2+]C[C@@H](C)Oc1cccc2cccnc21 ZINC000052693724 173365068 /nfs/dbraw/zinc/36/50/68/173365068.db2.gz PRAVKUIJCJZBMC-SNVBAGLBSA-N 1 0 216.284 2.222 10 0 BEAERO C[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000055027454 173365643 /nfs/dbraw/zinc/36/56/43/173365643.db2.gz JKPDQHUALAHWOP-SECBINFHSA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)n1cc(C)cn1 ZINC000052577031 173367021 /nfs/dbraw/zinc/36/70/21/173367021.db2.gz PXCIFHQHDJJJRS-ZDUSSCGKSA-N 1 0 215.300 2.000 10 0 BEAERO C[NH2+]C[C@@H](O[C@H]1CCOC1)c1ccccc1C ZINC000104112496 173367048 /nfs/dbraw/zinc/36/70/48/173367048.db2.gz VCDPLYQKTOSFPL-GXTWGEPZSA-N 1 0 235.327 2.061 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)N1CC[C@H](C)C1 ZINC000052484709 173367090 /nfs/dbraw/zinc/36/70/90/173367090.db2.gz GHNFLXCTCOMSBC-JSGCOSHPSA-N 1 0 218.344 2.289 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2c(C)cccc2C)C1 ZINC000011892165 173370569 /nfs/dbraw/zinc/37/05/69/173370569.db2.gz ZCKJHLOFZCPCOY-ZDUSSCGKSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(C)cc2C)C1 ZINC000011892141 173370667 /nfs/dbraw/zinc/37/06/67/173370667.db2.gz DCGZKCVDEISXNU-ZDUSSCGKSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@@H]1CC[C@@H](COc2ccc(C)c(C)c2)O1 ZINC000052666114 173371609 /nfs/dbraw/zinc/37/16/09/173371609.db2.gz FDFSRWXXQCHXOV-GJZGRUSLSA-N 1 0 249.354 2.449 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@H](O)c2cccc(Cl)c21 ZINC000057939201 173371944 /nfs/dbraw/zinc/37/19/44/173371944.db2.gz CZZORTIBKZLNKG-OIBJUYFYSA-N 1 0 211.692 2.080 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@H](O)c2cc(Cl)ccc21 ZINC000057939197 173371984 /nfs/dbraw/zinc/37/19/84/173371984.db2.gz GYZGBMDGOBCTDW-WRWORJQWSA-N 1 0 211.692 2.080 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1cccc(OC)c1 ZINC000054589855 173372320 /nfs/dbraw/zinc/37/23/20/173372320.db2.gz YXAYDAFNPBMMMF-WCQYABFASA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000054588422 173372351 /nfs/dbraw/zinc/37/23/51/173372351.db2.gz GTJOJPVWCGMEHG-SMDDNHRTSA-N 1 0 227.311 2.195 10 0 BEAERO C[NH2+]C[C@@H]1C[C@H]1c1ccc(OC)c(C)c1 ZINC000054589045 173372490 /nfs/dbraw/zinc/37/24/90/173372490.db2.gz MAWAEXALROCXEW-RYUDHWBXSA-N 1 0 205.301 2.327 10 0 BEAERO C[NH2+]C[C@@H]1C[C@]1(C)c1ccc(OC)cc1 ZINC000054589657 173372563 /nfs/dbraw/zinc/37/25/63/173372563.db2.gz UCPZVZXSVHBXQL-WCQYABFASA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@H](C)COc1ccc(F)c(F)c1 ZINC000041228111 173375497 /nfs/dbraw/zinc/37/54/97/173375497.db2.gz YLTRIHCWDFJGHV-QMMMGPOBSA-N 1 0 215.243 2.199 10 0 BEAERO C[NH2+]C[C@H](C)COc1ccc(F)cc1F ZINC000041228087 173375630 /nfs/dbraw/zinc/37/56/30/173375630.db2.gz FEFKUXINCZVVIV-QMMMGPOBSA-N 1 0 215.243 2.199 10 0 BEAERO C[NH2+]C[C@H](c1ccccc1)n1ccnc1C ZINC000052576234 173377715 /nfs/dbraw/zinc/37/77/15/173377715.db2.gz XWZZRUGVWBFPQD-CYBMUJFWSA-N 1 0 215.300 2.000 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1CC1CCCC1 ZINC000044412635 173377795 /nfs/dbraw/zinc/37/77/95/173377795.db2.gz IWCGFUHEHHQPPK-CYBMUJFWSA-N 1 0 210.365 2.251 10 0 BEAERO C[NH2+]C[C@H](OCCCc1ccncc1)C(C)C ZINC000052643783 173378008 /nfs/dbraw/zinc/37/80/08/173378008.db2.gz AEJYBPUIYQYWNI-AWEZNQCLSA-N 1 0 236.359 2.275 10 0 BEAERO C[NH2+]C[C@H]1CCCN1c1ccc2ccccc2n1 ZINC000053703609 173380617 /nfs/dbraw/zinc/38/06/17/173380617.db2.gz CVBXGLKUDQJIQK-CYBMUJFWSA-N 1 0 241.338 2.423 10 0 BEAERO C[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)C(C)(C)C)C1 ZINC000111653144 173380853 /nfs/dbraw/zinc/38/08/53/173380853.db2.gz GGQGVUOQGXEJKM-VXGBXAGGSA-N 1 0 240.391 2.127 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cccc(SC)c2)C1 ZINC000053010584 173381365 /nfs/dbraw/zinc/38/13/65/173381365.db2.gz NCUPJXIJZZZKSQ-LLVKDONJSA-N 1 0 236.384 2.454 10 0 BEAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc(C)o2)C1 ZINC000053031951 173381465 /nfs/dbraw/zinc/38/14/65/173381465.db2.gz KMVKCQPUNKXPNI-NWDGAFQWSA-N 1 0 222.332 2.190 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cc(F)ccc2F)C1 ZINC000053011423 173381820 /nfs/dbraw/zinc/38/18/20/173381820.db2.gz WBOUINRJJAMOMP-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2ccc(F)c(C)c2)C1 ZINC000061118536 173381997 /nfs/dbraw/zinc/38/19/97/173381997.db2.gz CPVJMGIWRJRKSI-LLVKDONJSA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062720992 173382400 /nfs/dbraw/zinc/38/24/00/173382400.db2.gz FHGAICBITSRJLA-HTQZYQBOSA-N 1 0 215.218 2.427 10 0 BEAERO C[NH2+]C[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062720997 173382656 /nfs/dbraw/zinc/38/26/56/173382656.db2.gz FHGAICBITSRJLA-SFYZADRCSA-N 1 0 215.218 2.427 10 0 BEAERO C[NH2+]C[C@]1(Cc2cnc(C)s2)CCCOC1 ZINC000062337808 173383732 /nfs/dbraw/zinc/38/37/32/173383732.db2.gz VGRAEGZCQAHTBW-GFCCVEGCSA-N 1 0 240.372 2.010 10 0 BEAERO C[NH2+]C[C@]1(Cc2cc(C)ccc2OC)CCOC1 ZINC000054663909 173383806 /nfs/dbraw/zinc/38/38/06/173383806.db2.gz RHXOTOUOIAJEQW-OAHLLOKOSA-N 1 0 249.354 2.172 10 0 BEAERO C[NH2+]Cc1c(C)nc(CC(C)C)nc1C ZINC000054854036 173384254 /nfs/dbraw/zinc/38/42/54/173384254.db2.gz YHMVMUYOECJRDZ-UHFFFAOYSA-N 1 0 207.321 2.011 10 0 BEAERO C[NH2+]Cc1c(C)cc(C)nc1N1CC[C@@H](C)C1 ZINC000051448424 173384450 /nfs/dbraw/zinc/38/44/50/173384450.db2.gz NZDQJSPRKBWKMJ-SNVBAGLBSA-N 1 0 233.359 2.264 10 0 BEAERO C[NH2+]Cc1cc(C)nc(Cc2cccs2)n1 ZINC000054831009 173386373 /nfs/dbraw/zinc/38/63/73/173386373.db2.gz SFBSLDXHTOEMTD-UHFFFAOYSA-N 1 0 233.340 2.157 10 0 BEAERO C[NH2+]Cc1cc(F)ccc1N1CC[C@@H](C)C1 ZINC000040723633 173387041 /nfs/dbraw/zinc/38/70/41/173387041.db2.gz QTEVUQNQVRNLLM-SNVBAGLBSA-N 1 0 222.307 2.391 10 0 BEAERO C[NH2+]Cc1ccc(-c2cncnc2)cc1F ZINC000052886642 173388377 /nfs/dbraw/zinc/38/83/77/173388377.db2.gz OWIUHENEIFHSRC-UHFFFAOYSA-N 1 0 217.247 2.002 10 0 BEAERO C[NH2+]Cc1ccc(OC)c(OC(C)C)c1 ZINC000034817290 173388719 /nfs/dbraw/zinc/38/87/19/173388719.db2.gz XSPQDUFFXCYKRX-UHFFFAOYSA-N 1 0 209.289 2.202 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC1(C)C ZINC000124376491 173390185 /nfs/dbraw/zinc/39/01/85/173390185.db2.gz KWTQFLWHQWDWFB-NSHDSACASA-N 1 0 232.327 2.391 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)c1ccoc1 ZINC000036280571 173390307 /nfs/dbraw/zinc/39/03/07/173390307.db2.gz CSPCWDVBKQVOOD-UHFFFAOYSA-N 1 0 230.267 2.251 10 0 BEAERO C[NH2+]Cc1ccnc([C@@H]2CCC[C@H](C)C2)n1 ZINC000054791160 173391114 /nfs/dbraw/zinc/39/11/14/173391114.db2.gz ACFJDPRJKJCXQH-WDEREUQCSA-N 1 0 219.332 2.490 10 0 BEAERO C[NH2+]Cc1ccnc(N(CC(C)C)C2CC2)c1 ZINC000051484475 173391437 /nfs/dbraw/zinc/39/14/37/173391437.db2.gz FOSVFBFJPBOJIC-UHFFFAOYSA-N 1 0 233.359 2.426 10 0 BEAERO C[NH2+]Cc1cn2c(C(C)C)csc2n1 ZINC000076788389 173391852 /nfs/dbraw/zinc/39/18/52/173391852.db2.gz NGMGPUCBBFZXNS-UHFFFAOYSA-N 1 0 209.318 2.239 10 0 BEAERO C[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000040996921 173392376 /nfs/dbraw/zinc/39/23/76/173392376.db2.gz SXWYSQAXENAGKF-UHFFFAOYSA-N 1 0 208.286 2.431 10 0 BEAERO C[NH2+]Cc1nc(N2CC[C@H](C)C2)ccc1Cl ZINC000051448295 173394293 /nfs/dbraw/zinc/39/42/93/173394293.db2.gz HMEWURVWYBKXFO-VIFPVBQESA-N 1 0 239.750 2.301 10 0 BEAERO C[NH2+]Cc1nc(C(C)C)n2ccccc12 ZINC000020263382 173395893 /nfs/dbraw/zinc/39/58/93/173395893.db2.gz INJJRRFBXHRADL-UHFFFAOYSA-N 1 0 203.289 2.177 10 0 BEAERO C[NH2+]Cc1nc(-c2cc(F)ccc2F)c[nH]1 ZINC000036877306 173397165 /nfs/dbraw/zinc/39/71/65/173397165.db2.gz BBMIGRKXJWAZOP-UHFFFAOYSA-N 1 0 223.226 2.074 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccccc2OC)o1 ZINC000077325982 173397181 /nfs/dbraw/zinc/39/71/81/173397181.db2.gz FOEOMHUBGHNEKR-UHFFFAOYSA-N 1 0 218.256 2.070 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(C)cc2C)c[nH]1 ZINC000036877266 173397369 /nfs/dbraw/zinc/39/73/69/173397369.db2.gz HATHNYOIRVIISX-UHFFFAOYSA-N 1 0 215.300 2.413 10 0 BEAERO C[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000045944881 173397408 /nfs/dbraw/zinc/39/74/08/173397408.db2.gz FDMCJFSUFHFRGK-UHFFFAOYSA-N 1 0 230.315 2.245 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccc(F)cc2)o1 ZINC000033853291 173397467 /nfs/dbraw/zinc/39/74/67/173397467.db2.gz QPYKFYCGBJIASF-UHFFFAOYSA-N 1 0 206.220 2.200 10 0 BEAERO C[NH2+]Cc1ncc(-c2cc(OC)ccc2OC)o1 ZINC000077420114 173397677 /nfs/dbraw/zinc/39/76/77/173397677.db2.gz NAHHSPALRZGWPD-UHFFFAOYSA-N 1 0 248.282 2.078 10 0 BEAERO C[NH2+]Cc1oc(Cn2cc(Cl)cn2)cc1C ZINC000052577349 173399919 /nfs/dbraw/zinc/39/99/19/173399919.db2.gz ADIVARGJFXTYDL-UHFFFAOYSA-N 1 0 239.706 2.206 10 0 BEAERO C[NH2+]Cc1occc1Cn1ncc2ccccc21 ZINC000052574134 173399925 /nfs/dbraw/zinc/39/99/25/173399925.db2.gz HQKITTQLQAZPBD-UHFFFAOYSA-N 1 0 241.294 2.397 10 0 BEAERO C[NH2+][C@@H](C)c1c(F)cccc1-n1cccn1 ZINC000034665227 173417862 /nfs/dbraw/zinc/41/78/62/173417862.db2.gz NATHHPSUOMZGLE-VIFPVBQESA-N 1 0 219.263 2.292 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000034665239 173419224 /nfs/dbraw/zinc/41/92/24/173419224.db2.gz POIIBMDBPXYXJE-VIFPVBQESA-N 1 0 219.263 2.292 10 0 BEAERO C[NH2+][C@@H](COC)c1cccc2cnccc21 ZINC000061124331 173424396 /nfs/dbraw/zinc/42/43/96/173424396.db2.gz RMDHQCPFEIPRLO-ZDUSSCGKSA-N 1 0 216.284 2.142 10 0 BEAERO C[NH2+][C@H](c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000035500333 173427976 /nfs/dbraw/zinc/42/79/76/173427976.db2.gz OZNRCOBOKPYQNR-LBPRGKRZSA-N 1 0 235.718 2.382 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H]1Oc1ccc(F)cc1F ZINC000044047483 173434625 /nfs/dbraw/zinc/43/46/25/173434625.db2.gz CNVGKISJGVTSGV-PWSUYJOCSA-N 1 0 227.254 2.484 10 0 BEAERO C[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000049709459 173435791 /nfs/dbraw/zinc/43/57/91/173435791.db2.gz SPTVONHKJBNKBV-SMDDNHRTSA-N 1 0 236.334 2.398 10 0 BEAERO C[NH2+][C@@H]1CCN(c2c(C)cc(C)cc2C)C1 ZINC000070584746 173436199 /nfs/dbraw/zinc/43/61/99/173436199.db2.gz UPCXMUSQFYMJHV-CYBMUJFWSA-N 1 0 218.344 2.410 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000054071891 173445206 /nfs/dbraw/zinc/44/52/06/173445206.db2.gz KVTBLUJALZVBTR-SNVBAGLBSA-N 1 0 236.315 2.020 10 0 BEAERO C[NH2+][C@H](C)[C@@H](O)c1ccc(OCC(C)C)cc1 ZINC000071548177 173447643 /nfs/dbraw/zinc/44/76/43/173447643.db2.gz WYTKRTVWUWOOEU-BXUZGUMPSA-N 1 0 237.343 2.363 10 0 BEAERO C[NH2+][C@H](C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507153 173448078 /nfs/dbraw/zinc/44/80/78/173448078.db2.gz KXGIIOLTYNCFOW-ZCFIWIBFSA-N 1 0 224.691 2.115 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1CCCO1 ZINC000035505126 173457802 /nfs/dbraw/zinc/45/78/02/173457802.db2.gz WMKTXMYSVGQWMV-NZVBXONLSA-N 1 0 247.338 2.450 10 0 BEAERO C[NH2+][C@H](c1nc(C)cs1)C1CCOCC1 ZINC000052179422 173458994 /nfs/dbraw/zinc/45/89/94/173458994.db2.gz WVZPTDFEHLVOBS-JTQLQIEISA-N 1 0 226.345 2.139 10 0 BEAERO C[NH2+][C@H]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000055231759 173462868 /nfs/dbraw/zinc/46/28/68/173462868.db2.gz BOJGZIBQONHLEN-NEPJUHHUSA-N 1 0 233.311 2.313 10 0 BEAERO COC(=O)CCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000037416992 173544378 /nfs/dbraw/zinc/54/43/78/173544378.db2.gz XRFRBBVFFOIWOW-JTQLQIEISA-N 1 0 225.288 2.192 10 0 BEAERO COC(CCC[NH3+])(OC)c1ccc2c(c1)CCC2 ZINC000098128526 173957754 /nfs/dbraw/zinc/95/77/54/173957754.db2.gz DWCWUGMIGJIVKV-UHFFFAOYSA-N 1 0 249.354 2.360 10 0 BEAERO COC1(C[NH2+]C[C@@H](O)C(C)(C)C)CCCCC1 ZINC000319424482 174001749 /nfs/dbraw/zinc/00/17/49/174001749.db2.gz IWXYVASMFMEGQA-GFCCVEGCSA-N 1 0 243.391 2.332 10 0 BEAERO COC1(C[NH2+]C[C@H](O)C(C)(C)C)CCCCC1 ZINC000319424484 174001791 /nfs/dbraw/zinc/00/17/91/174001791.db2.gz IWXYVASMFMEGQA-LBPRGKRZSA-N 1 0 243.391 2.332 10 0 BEAERO COC1CC[NH+](C[C@H]2CCCCC[C@H]2O)CC1 ZINC000053883131 174028252 /nfs/dbraw/zinc/02/82/52/174028252.db2.gz PJRXQABFBHNCAH-TZMCWYRMSA-N 1 0 241.375 2.038 10 0 BEAERO COC1CC[NH+]([C@H](CN)C2CCCCC2)CC1 ZINC000037265808 174030736 /nfs/dbraw/zinc/03/07/36/174030736.db2.gz LQHYURFRURBICP-CQSZACIVSA-N 1 0 240.391 2.005 10 0 BEAERO COC1CC[NH+]([C@]2(CN)CCCC[C@@H]2C)CC1 ZINC000037265950 174032175 /nfs/dbraw/zinc/03/21/75/174032175.db2.gz XJSYQIDRUAJWIR-JSGCOSHPSA-N 1 0 240.391 2.005 10 0 BEAERO COCC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000336726338 174073930 /nfs/dbraw/zinc/07/39/30/174073930.db2.gz VKXJAOZRSSMNIY-IJLUTSLNSA-N 1 0 241.375 2.062 10 0 BEAERO COCC(C)(C)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000336767603 174074011 /nfs/dbraw/zinc/07/40/11/174074011.db2.gz PTOOLWJIINHTCV-JTQLQIEISA-N 1 0 226.320 2.306 10 0 BEAERO COCCC[NH2+]CCN(C)[C@H]1CCCC[C@@H]1C ZINC000053439027 174247559 /nfs/dbraw/zinc/24/75/59/174247559.db2.gz QUVNCWCYDVFQFP-KBPBESRZSA-N 1 0 242.407 2.123 10 0 BEAERO COCCCOC[C@H]([NH3+])c1ccc(C)cc1C ZINC000037747226 174255231 /nfs/dbraw/zinc/25/52/31/174255231.db2.gz DSFHVRNHEUDZIT-AWEZNQCLSA-N 1 0 237.343 2.356 10 0 BEAERO COCCC[C@]1([NH3+])CCc2ccccc21 ZINC000053754110 174264402 /nfs/dbraw/zinc/26/44/02/174264402.db2.gz WAVGQHWATYXCJH-ZDUSSCGKSA-N 1 0 205.301 2.213 10 0 BEAERO COCCCn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000036890092 174266722 /nfs/dbraw/zinc/26/67/22/174266722.db2.gz WXCOFYQIBMYMHF-UHFFFAOYSA-N 1 0 239.706 2.308 10 0 BEAERO COCC[N@H+]([C@H](C)c1cccc(N)c1)C1CC1 ZINC000042517321 174285291 /nfs/dbraw/zinc/28/52/91/174285291.db2.gz YIFLCUHLCOVRED-LLVKDONJSA-N 1 0 234.343 2.441 10 0 BEAERO COCC[N@H+](CC(C)C)C1(CN)CCCCC1 ZINC000042368271 174287715 /nfs/dbraw/zinc/28/77/15/174287715.db2.gz JODFNPQVHGPJHV-UHFFFAOYSA-N 1 0 242.407 2.252 10 0 BEAERO COCC[N@H+](CCCCC(C)=O)[C@H](C)C1CC1 ZINC000042680672 174291029 /nfs/dbraw/zinc/29/10/29/174291029.db2.gz SRFBAMKTNCNAIP-CYBMUJFWSA-N 1 0 241.375 2.493 10 0 BEAERO COCCN(C[C@H]([NH3+])c1ccc(C)cc1)C1CC1 ZINC000042518139 174297597 /nfs/dbraw/zinc/29/75/97/174297597.db2.gz OYZSGJBWPZHYNN-HNNXBMFYSA-N 1 0 248.370 2.106 10 0 BEAERO COCC[N@H+](Cc1cc(F)ccc1N)C1CC1 ZINC000042517314 174299104 /nfs/dbraw/zinc/29/91/04/174299104.db2.gz VACFTSWALLAHIG-UHFFFAOYSA-N 1 0 238.306 2.019 10 0 BEAERO COCC[N@H+]([C@@H](C)C1CC1)C1(CN)CCCC1 ZINC000042615436 174302810 /nfs/dbraw/zinc/30/28/10/174302810.db2.gz YSAZLOVEUJHCAJ-LBPRGKRZSA-N 1 0 240.391 2.005 10 0 BEAERO COCCN(c1ccccc1[C@H](C)[NH3+])C1CC1 ZINC000042518538 174302888 /nfs/dbraw/zinc/30/28/88/174302888.db2.gz YNTWTVSHRHCOMW-NSHDSACASA-N 1 0 234.343 2.322 10 0 BEAERO COCC[N@H+]1CC=C(c2cccs2)CC1 ZINC000117895704 174303814 /nfs/dbraw/zinc/30/38/14/174303814.db2.gz LDYIJCXYKUPDBE-UHFFFAOYSA-N 1 0 223.341 2.484 10 0 BEAERO COCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494693 174307492 /nfs/dbraw/zinc/30/74/92/174307492.db2.gz QIVJWYXLJPENSE-ZDUSSCGKSA-N 1 0 209.333 2.455 10 0 BEAERO COCCNC1=[NH+][C@@]2(CS1)CCC[C@@H](C)C2 ZINC000053098590 174330519 /nfs/dbraw/zinc/33/05/19/174330519.db2.gz YRHJNJSCQNSKQZ-PWSUYJOCSA-N 1 0 242.388 2.274 10 0 BEAERO COCC[NH2+]CCCOC[C@@H]1CC=CC[C@H]1C ZINC000053562165 174332101 /nfs/dbraw/zinc/33/21/01/174332101.db2.gz JIZUKQZMNMQKSR-KGLIPLIRSA-N 1 0 241.375 2.231 10 0 BEAERO COCC[NH2+]CCc1ccccc1C(F)(F)F ZINC000055234179 174333301 /nfs/dbraw/zinc/33/33/01/174333301.db2.gz QAAMEYFDLOEESW-UHFFFAOYSA-N 1 0 247.260 2.484 10 0 BEAERO COCC[NH2+]CCc1ccc2ccccc2n1 ZINC000053302862 174333410 /nfs/dbraw/zinc/33/34/10/174333410.db2.gz HYFMMKUYIHJZCX-UHFFFAOYSA-N 1 0 230.311 2.013 10 0 BEAERO COCC[NH2+]C[C@]1(CCC(C)(C)C)CCOC1 ZINC000054666644 174334244 /nfs/dbraw/zinc/33/42/44/174334244.db2.gz BSULIVYXMRBZJJ-AWEZNQCLSA-N 1 0 243.391 2.455 10 0 BEAERO COCC[NH2+]Cc1nc2c(s1)CCCCC2 ZINC000045205948 174337484 /nfs/dbraw/zinc/33/74/84/174337484.db2.gz LYQHURZBTNBTBE-UHFFFAOYSA-N 1 0 240.372 2.148 10 0 BEAERO COCCOc1c(C)cc(C[C@H](C)[NH3+])cc1C ZINC000037723271 174366969 /nfs/dbraw/zinc/36/69/69/174366969.db2.gz PWYIZFXVNSKIMW-LBPRGKRZSA-N 1 0 237.343 2.218 10 0 BEAERO COCC[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000043648861 174419566 /nfs/dbraw/zinc/41/95/66/174419566.db2.gz VJGCLIOQRUBRFI-DGCLKSJQSA-N 1 0 205.301 2.285 10 0 BEAERO Cc1nccn1CC[NH2+]CC1(C(C)C)CC1 ZINC000232667775 487628880 /nfs/dbraw/zinc/62/88/80/487628880.db2.gz AQYOVXRLXZERSE-UHFFFAOYSA-N 1 0 221.348 2.217 10 0 BEAERO CO[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C12CCC2 ZINC000334522340 174774117 /nfs/dbraw/zinc/77/41/17/174774117.db2.gz NMGPJEUBZZDTIM-NXEZZACHSA-N 1 0 231.286 2.331 10 0 BEAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)CSC)C1(C)C ZINC000308937071 174784977 /nfs/dbraw/zinc/78/49/77/174784977.db2.gz LDTYFBLSWWFBDX-ZRUFSTJUSA-N 1 0 231.405 2.387 10 0 BEAERO CO[C@H](C(C)C)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000082373416 174802265 /nfs/dbraw/zinc/80/22/65/174802265.db2.gz OKVKXCDBNYPMLN-NWDGAFQWSA-N 1 0 211.280 2.497 10 0 BEAERO CO[C@H](C(C)C)[C@H]([NH3+])c1ccc(F)cc1 ZINC000082373414 174802423 /nfs/dbraw/zinc/80/24/23/174802423.db2.gz OKVKXCDBNYPMLN-VXGBXAGGSA-N 1 0 211.280 2.497 10 0 BEAERO CO[C@](C)(C[NH3+])c1ccc(F)c(Cl)c1 ZINC000083264146 174909095 /nfs/dbraw/zinc/90/90/95/174909095.db2.gz GVWVDIBMVAUKOQ-SNVBAGLBSA-N 1 0 217.671 2.299 10 0 BEAERO COc1cc(C(C)C)c(OC)cc1NCC[NH3+] ZINC000096890057 174951813 /nfs/dbraw/zinc/95/18/13/174951813.db2.gz SSFFYIUXJLAWAF-UHFFFAOYSA-N 1 0 238.331 2.198 10 0 BEAERO COc1cc(OC)c2c(c1)OC(C)(C)C[C@@H]2[NH3+] ZINC000059315847 175009074 /nfs/dbraw/zinc/00/90/74/175009074.db2.gz GULJGIRKVRSGOB-VIFPVBQESA-N 1 0 237.299 2.265 10 0 BEAERO COc1cc(OC)c2c(c1)[C@H](C1CC1)[NH2+]CC2 ZINC000011599395 175009789 /nfs/dbraw/zinc/00/97/89/175009789.db2.gz BFLHSNHQEIEEBG-AWEZNQCLSA-N 1 0 233.311 2.301 10 0 BEAERO COc1cc(OC)cc([C@H]2[NH2+]CC[C@H]2C)c1 ZINC000003733625 175010867 /nfs/dbraw/zinc/01/08/67/175010867.db2.gz NTHVLEJLYWYEJT-RNCFNFMXSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc(Br)cc1[C@@H]1C[C@@H]1[NH3+] ZINC000037381711 175051278 /nfs/dbraw/zinc/05/12/78/175051278.db2.gz UGKJUJQEBHSVRC-CBAPKCEASA-N 1 0 242.116 2.272 10 0 BEAERO COc1cc2ccn(CCC[NH3+])c2cc1OC ZINC000059731520 175027629 /nfs/dbraw/zinc/02/76/29/175027629.db2.gz YXFFTFDRYDRQLG-UHFFFAOYSA-N 1 0 234.299 2.007 10 0 BEAERO COc1cc2nc([C@@H]3CCC[NH2+]3)[nH]c2cc1OC ZINC000042173007 175027908 /nfs/dbraw/zinc/02/79/08/175027908.db2.gz PMUBHVHMRXWUQC-QMMMGPOBSA-N 1 0 247.298 2.005 10 0 BEAERO COc1cc2nc([C@H]3CCC[NH2+]3)[nH]c2cc1OC ZINC000042173010 175028637 /nfs/dbraw/zinc/02/86/37/175028637.db2.gz PMUBHVHMRXWUQC-MRVPVSSYSA-N 1 0 247.298 2.005 10 0 BEAERO COc1ccc(-c2c[nH]c(C[C@@H](C)[NH3+])n2)cc1F ZINC000037608898 175036035 /nfs/dbraw/zinc/03/60/35/175036035.db2.gz QNVHAKFBRLTOBM-MRVPVSSYSA-N 1 0 249.289 2.114 10 0 BEAERO COc1ccc(-c2ccncc2)cc1C[NH3+] ZINC000040231728 175036392 /nfs/dbraw/zinc/03/63/92/175036392.db2.gz ABNBNMVXUYPEQJ-UHFFFAOYSA-N 1 0 214.268 2.216 10 0 BEAERO COc1ccc(C(=O)[C@@H](C)[NH2+]C2CC2)c(OC)c1 ZINC000077427782 175065395 /nfs/dbraw/zinc/06/53/95/175065395.db2.gz BCNPOIZVBMVWCV-SECBINFHSA-N 1 0 249.310 2.027 10 0 BEAERO COc1ccc(C(=O)[C@H](C)[NH2+]C2CC2)c(OC)c1 ZINC000077427779 175066091 /nfs/dbraw/zinc/06/60/91/175066091.db2.gz BCNPOIZVBMVWCV-VIFPVBQESA-N 1 0 249.310 2.027 10 0 BEAERO COc1ccc(C)cc1C(=O)C1([NH3+])CCCC1 ZINC000011630610 175072839 /nfs/dbraw/zinc/07/28/39/175072839.db2.gz LMOSQXNQVHRNCE-UHFFFAOYSA-N 1 0 233.311 2.458 10 0 BEAERO COc1ccc(C)cc1NC1CC[NH2+]CC1 ZINC000038040554 175078163 /nfs/dbraw/zinc/07/81/63/175078163.db2.gz SOFPLFTTXCBCFW-UHFFFAOYSA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(C)cc1NCC[C@@H](C)C[NH3+] ZINC000049818991 175078382 /nfs/dbraw/zinc/07/83/82/175078382.db2.gz PRURIAUJHCGTCZ-LLVKDONJSA-N 1 0 222.332 2.400 10 0 BEAERO COc1ccc(C)cc1N[C@@H]1CCC[NH2+]C1 ZINC000043324108 175078777 /nfs/dbraw/zinc/07/87/77/175078777.db2.gz ZDJSOSCAPQPCIN-LLVKDONJSA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)[C@H]1CCCC[NH2+]1 ZINC000070248606 175080111 /nfs/dbraw/zinc/08/01/11/175080111.db2.gz KVTDOGMVYYVNSC-TZMCWYRMSA-N 1 0 235.327 2.179 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]CC(C)C ZINC000037873190 175080139 /nfs/dbraw/zinc/08/01/39/175080139.db2.gz JYYHMUYFZRYSSL-ZDUSSCGKSA-N 1 0 237.343 2.283 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])[C@H]1CCCO1 ZINC000036822928 175080394 /nfs/dbraw/zinc/08/03/94/175080394.db2.gz AAHVLUMAVNOCJZ-CHWSQXEVSA-N 1 0 221.300 2.182 10 0 BEAERO COc1ccc(C)cc1[C@@H]([NH3+])[C@@H]1CCCO1 ZINC000036822926 175080459 /nfs/dbraw/zinc/08/04/59/175080459.db2.gz AAHVLUMAVNOCJZ-QWHCGFSZSA-N 1 0 221.300 2.182 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)CC[NH2+]C(C)C ZINC000049828956 175080569 /nfs/dbraw/zinc/08/05/69/175080569.db2.gz PCELMVFRUQHSCO-ZDUSSCGKSA-N 1 0 237.343 2.425 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])[C@H]1CCCO1 ZINC000036822927 175081945 /nfs/dbraw/zinc/08/19/45/175081945.db2.gz AAHVLUMAVNOCJZ-OLZOCXBDSA-N 1 0 221.300 2.182 10 0 BEAERO COc1ccc(C)cc1[C@H](O)C[NH2+][C@H](C)C1CC1 ZINC000037889617 175082204 /nfs/dbraw/zinc/08/22/04/175082204.db2.gz YDRTXXQDQKAWRA-BXUZGUMPSA-N 1 0 249.354 2.425 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])CN(C)C1CC1 ZINC000037080995 175082214 /nfs/dbraw/zinc/08/22/14/175082214.db2.gz MCAAMWNWJUJHHJ-CYBMUJFWSA-N 1 0 234.343 2.098 10 0 BEAERO COc1ccc(C)cc1[C@H]1C[NH2+]C[C@@H](C)O1 ZINC000036986397 175082444 /nfs/dbraw/zinc/08/24/44/175082444.db2.gz NMYBQXPYFLOTIC-ZWNOBZJWSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc(C)cc1[C@H]1C[NH2+]C[C@@H](C2CC2)O1 ZINC000071308785 175082461 /nfs/dbraw/zinc/08/24/61/175082461.db2.gz JSLYVZGIWCYUOP-LSDHHAIUSA-N 1 0 247.338 2.443 10 0 BEAERO COc1ccc(C2(C)CC[NH2+]CC2)cc1OC ZINC000057526148 175083748 /nfs/dbraw/zinc/08/37/48/175083748.db2.gz PKMGXMDSZMZSAO-UHFFFAOYSA-N 1 0 235.327 2.345 10 0 BEAERO COc1ccc(CCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000037927472 175089191 /nfs/dbraw/zinc/08/91/91/175089191.db2.gz NTSPHJDYEVHOPV-HNNXBMFYSA-N 1 0 249.354 2.396 10 0 BEAERO COc1ccc(CCC[NH3+])cc1Br ZINC000041289877 175089946 /nfs/dbraw/zinc/08/99/46/175089946.db2.gz GIDGULPIJXWTRH-UHFFFAOYSA-N 1 0 244.132 2.349 10 0 BEAERO COc1ccc(CC[NH2+]C2CC2)cc1F ZINC000053302463 175091752 /nfs/dbraw/zinc/09/17/52/175091752.db2.gz FCKKPENTRXZQLF-UHFFFAOYSA-N 1 0 209.264 2.129 10 0 BEAERO COc1ccc(CC[C@H]2CCC[NH2+]2)cc1 ZINC000003732309 175093441 /nfs/dbraw/zinc/09/34/41/175093441.db2.gz SFDVQIVTCDPHGN-GFCCVEGCSA-N 1 0 205.301 2.380 10 0 BEAERO COc1ccc(CCn2cccc2CC[NH3+])cc1 ZINC000071559151 175094294 /nfs/dbraw/zinc/09/42/94/175094294.db2.gz ICXJZBNPSKNQQH-UHFFFAOYSA-N 1 0 244.338 2.241 10 0 BEAERO COc1ccc(C[NH3+])cc1OCc1ccncc1 ZINC000034957161 175097605 /nfs/dbraw/zinc/09/76/05/175097605.db2.gz IDOYMBNUEBGNDY-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1ccc(C[NH3+])c(Cl)c1Cl ZINC000083158420 175097800 /nfs/dbraw/zinc/09/78/00/175097800.db2.gz KZLVYCVWVZGONT-UHFFFAOYSA-N 1 0 206.072 2.461 10 0 BEAERO COc1ccc(C[NH2+][C@H](C)C2(C)CC2)cn1 ZINC000037468435 175111128 /nfs/dbraw/zinc/11/11/28/175111128.db2.gz CLPVHILSBABZAA-SNVBAGLBSA-N 1 0 220.316 2.368 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])c2ccc[nH]2)cc1 ZINC000011848754 175115486 /nfs/dbraw/zinc/11/54/86/175115486.db2.gz MIFDGHDNPHCEID-GFCCVEGCSA-N 1 0 216.284 2.266 10 0 BEAERO COc1ccc(C[C@@H](C[NH3+])C[C@@H]2CCCO2)cc1 ZINC000053339286 175115773 /nfs/dbraw/zinc/11/57/73/175115773.db2.gz JZEQGYZTPHULGM-HIFRSBDPSA-N 1 0 249.354 2.382 10 0 BEAERO COc1ccc(C[C@@H](C[NH3+])C[C@H]2CCCO2)cc1 ZINC000053339292 175115915 /nfs/dbraw/zinc/11/59/15/175115915.db2.gz JZEQGYZTPHULGM-UKRRQHHQSA-N 1 0 249.354 2.382 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])C2CC2)cc1F ZINC000053818976 175116033 /nfs/dbraw/zinc/11/60/33/175116033.db2.gz ZWAZHKNJEUVMFR-LLVKDONJSA-N 1 0 209.264 2.114 10 0 BEAERO COc1ccc(C[C@H](C[NH3+])C[C@@H]2CCCO2)cc1 ZINC000053339283 175117026 /nfs/dbraw/zinc/11/70/26/175117026.db2.gz JZEQGYZTPHULGM-ZFWWWQNUSA-N 1 0 249.354 2.382 10 0 BEAERO COc1ccc(C[C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000134236919 175117055 /nfs/dbraw/zinc/11/70/55/175117055.db2.gz TUUQARVAMJHLRY-ZOWXZIJZSA-N 1 0 249.354 2.393 10 0 BEAERO COc1ccc(Cl)c(N[C@@H]2CC[N@H+](C)C2)c1 ZINC000061989675 175118392 /nfs/dbraw/zinc/11/83/92/175118392.db2.gz MFXNQILZKOWBLC-SECBINFHSA-N 1 0 240.734 2.465 10 0 BEAERO COc1ccc(Cl)c2[nH]cc(C[NH3+])c21 ZINC000082595096 175119008 /nfs/dbraw/zinc/11/90/08/175119008.db2.gz AGGJXRMWHAHNQI-UHFFFAOYSA-N 1 0 210.664 2.289 10 0 BEAERO COc1ccc(Cl)cc1[C@@H](O)CC[NH+](C)C ZINC000041146679 175121611 /nfs/dbraw/zinc/12/16/11/175121611.db2.gz RZZRHTXVFAWQIA-NSHDSACASA-N 1 0 243.734 2.334 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])[C@H]1CCCOC1 ZINC000062230753 175134714 /nfs/dbraw/zinc/13/47/14/175134714.db2.gz KROJTLYVVPAFCR-TVQRCGJNSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc(NC2CC[NH2+]CC2)cc1C ZINC000049528642 175149646 /nfs/dbraw/zinc/14/96/46/175149646.db2.gz PKMPHLFRXNITAF-UHFFFAOYSA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(NCc2c[nH]cn2)cc1 ZINC000054763387 175151737 /nfs/dbraw/zinc/15/17/37/175151737.db2.gz SHODQYQEOJAPAT-UHFFFAOYSA-N 1 0 203.245 2.030 10 0 BEAERO COc1ccc(OC)c(C(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000058327620 175164195 /nfs/dbraw/zinc/16/41/95/175164195.db2.gz MPVRDCUSGVJHQM-GFCCVEGCSA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(OC)c([C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000057513867 175167594 /nfs/dbraw/zinc/16/75/94/175167594.db2.gz LPCXIFKTIGHMOU-ZJUUUORDSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(OC)c([C@H]2C[NH2+][C@H](C)C2)c1 ZINC000070586840 175168994 /nfs/dbraw/zinc/16/89/94/175168994.db2.gz RBJOSJKDKSSKJQ-NXEZZACHSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2cccnc2)c(C)c1 ZINC000019972439 175180304 /nfs/dbraw/zinc/18/03/04/175180304.db2.gz JWHZPOFAOZEESF-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc([C@@H](O)C2CC[NH2+]CC2)cc1C ZINC000011630791 175180654 /nfs/dbraw/zinc/18/06/54/175180654.db2.gz JIABXQGSSUFVJS-AWEZNQCLSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000042244709 175180875 /nfs/dbraw/zinc/18/08/75/175180875.db2.gz KDWSGSIEVBYSHV-DOMZBBRYSA-N 1 0 249.354 2.461 10 0 BEAERO COc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[C@@H](C)C2)cc1 ZINC000042961391 175182225 /nfs/dbraw/zinc/18/22/25/175182225.db2.gz UVELWIDKJLFDCW-LALPHHSUSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccc([C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000055231091 175182673 /nfs/dbraw/zinc/18/26/73/175182673.db2.gz XJBZHAPXQHQLRB-QWRGUYRKSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@@H]2CCC[C@H]2[NH3+])c(OC)c1 ZINC000055233101 175183056 /nfs/dbraw/zinc/18/30/56/175183056.db2.gz YMBRJJRMUKALRH-CMPLNLGQSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]C(C)(C)CO2)cc1F ZINC000036673122 175183618 /nfs/dbraw/zinc/18/36/18/175183618.db2.gz DXHHVTXUEFGTPR-LBPRGKRZSA-N 1 0 239.290 2.274 10 0 BEAERO COc1ccc([C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000057513859 175183882 /nfs/dbraw/zinc/18/38/82/175183882.db2.gz IRUBPYBJRQOCFG-KOLCDFICSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C)C2)c(OC)c1 ZINC000083109974 175184166 /nfs/dbraw/zinc/18/41/66/175184166.db2.gz OLFPTIQCEKDFQX-MNOVXSKESA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc([C@@H]2CSCC[NH2+]2)c(OC)c1 ZINC000041282387 175184746 /nfs/dbraw/zinc/18/47/46/175184746.db2.gz HHDSZHZDCRZLJJ-NSHDSACASA-N 1 0 239.340 2.081 10 0 BEAERO COc1ccc([C@H](C)CC[NH3+])cc1OC ZINC000011629519 175187299 /nfs/dbraw/zinc/18/72/99/175187299.db2.gz XZGIXSLHJDKMKM-SECBINFHSA-N 1 0 209.289 2.156 10 0 BEAERO COc1ccc([C@H]([NH3+])C2CC2)c(OC)c1 ZINC000003739208 175190819 /nfs/dbraw/zinc/19/08/19/175190819.db2.gz QREIEGXDUITGEG-GFCCVEGCSA-N 1 0 207.273 2.114 10 0 BEAERO COc1ccc([C@H]([NH3+])C2CCOCC2)c(F)c1 ZINC000061672100 175191279 /nfs/dbraw/zinc/19/12/79/175191279.db2.gz AXOZKZQSOBECMB-CYBMUJFWSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCO2)cc1F ZINC000035424272 175191716 /nfs/dbraw/zinc/19/17/16/175191716.db2.gz KIIKSNFECOQMOC-RYUDHWBXSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc([C@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000057513860 175195532 /nfs/dbraw/zinc/19/55/32/175195532.db2.gz IRUBPYBJRQOCFG-ONGXEEELSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@H]2C[NH2+]CC(C)(C)O2)cc1 ZINC000011803129 175196081 /nfs/dbraw/zinc/19/60/81/175196081.db2.gz KREFRNFLNQTLSP-GFCCVEGCSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1C ZINC000070586846 175196703 /nfs/dbraw/zinc/19/67/03/175196703.db2.gz KLYFLTKKNMFEEU-CMPLNLGQSA-N 1 0 205.301 2.469 10 0 BEAERO COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1OC ZINC000003704344 175197288 /nfs/dbraw/zinc/19/72/88/175197288.db2.gz ILJAPFMCQKWPQI-MWLCHTKSSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc2[nH]c3c(c2c1)CC[NH+]=C3 ZINC000013587964 175201948 /nfs/dbraw/zinc/20/19/48/175201948.db2.gz BJODVFITWMPYMU-UHFFFAOYSA-N 1 0 200.241 2.152 10 0 in-vivo BEAERO COc1ccc2[nH]cc(CC[C@H](C)[NH3+])c2c1 ZINC000020269401 175202950 /nfs/dbraw/zinc/20/29/50/175202950.db2.gz AQFAYBAYLOSSTJ-VIFPVBQESA-N 1 0 218.300 2.456 10 0 BEAERO COc1ccc2[nH]cc(C[NH2+]C3CC3)c2c1 ZINC000045206661 175203091 /nfs/dbraw/zinc/20/30/91/175203091.db2.gz UQFKJVKLNWKPOQ-UHFFFAOYSA-N 1 0 216.284 2.429 10 0 BEAERO COc1ccc2[nH]cc([C@@H](C)C[NH3+])c2c1 ZINC000005735105 175203188 /nfs/dbraw/zinc/20/31/88/175203188.db2.gz PLKJXFPRSHOODN-QMMMGPOBSA-N 1 0 204.273 2.239 10 0 BEAERO COc1ccc2cc(C3=[NH+]CCN3)ccc2c1 ZINC000013805905 175224611 /nfs/dbraw/zinc/22/46/11/175224611.db2.gz PLLMNAUFJLXBDJ-UHFFFAOYSA-N 1 0 226.279 2.198 10 0 BEAERO COc1ccc2nc(C[C@@H](C)[NH3+])sc2c1 ZINC000045236773 175228295 /nfs/dbraw/zinc/22/82/95/175228295.db2.gz CSNBRFPRLGVWIB-SSDOTTSWSA-N 1 0 222.313 2.195 10 0 BEAERO COc1ccc2nc([C@H](C)[NH3+])sc2c1 ZINC000075403766 175229891 /nfs/dbraw/zinc/22/98/91/175229891.db2.gz GVLKGGOYAOTINC-LURJTMIESA-N 1 0 208.286 2.325 10 0 BEAERO COc1ccc2nc([C@H](C)C[NH3+])sc2c1 ZINC000083039526 175230072 /nfs/dbraw/zinc/23/00/72/175230072.db2.gz PPUZBCZJILJXJN-SSDOTTSWSA-N 1 0 222.313 2.367 10 0 BEAERO COc1ccc2occ(C[C@H](C)[NH3+])c2c1 ZINC000013650622 175232358 /nfs/dbraw/zinc/23/23/58/175232358.db2.gz PMAFEFSQHHKAKM-QMMMGPOBSA-N 1 0 205.257 2.331 10 0 BEAERO COc1cccc(-c2nc([C@H](C)[NH3+])c[nH]2)c1 ZINC000082369119 175236048 /nfs/dbraw/zinc/23/60/48/175236048.db2.gz WITHOMNMZMJIDU-QMMMGPOBSA-N 1 0 217.272 2.105 10 0 BEAERO COc1cccc(CC[NH2+]C2CCC2)c1 ZINC000076639749 175252484 /nfs/dbraw/zinc/25/24/84/175252484.db2.gz KKAIQUVFMVLLCI-UHFFFAOYSA-N 1 0 205.301 2.380 10 0 BEAERO COc1cccc(CC[C@H]2COC[C@@H](C)[NH2+]2)c1 ZINC000071545509 175253569 /nfs/dbraw/zinc/25/35/69/175253569.db2.gz DRQQIIYYXXWLIP-YPMHNXCESA-N 1 0 235.327 2.005 10 0 BEAERO COc1cccc(C[NH3+])c1OCc1ccncc1 ZINC000035413037 175257587 /nfs/dbraw/zinc/25/75/87/175257587.db2.gz TVACHLUQJIZTED-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1cccc(CN2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000234979683 175259675 /nfs/dbraw/zinc/25/96/75/175259675.db2.gz ZFGDCWQLGNSFSP-GXTWGEPZSA-N 1 0 248.370 2.254 10 0 BEAERO COc1cccc(C[NH2+]Cc2ccc(O)cc2)n1 ZINC000083372622 175266067 /nfs/dbraw/zinc/26/60/67/175266067.db2.gz NYHPSOXPPGOYQN-UHFFFAOYSA-N 1 0 244.294 2.086 10 0 BEAERO COc1cccc(N2CCC[NH2+][C@H](C)CC2)c1 ZINC000049665488 175275002 /nfs/dbraw/zinc/27/50/02/175275002.db2.gz ZVZPEJIXNWUESE-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO COc1cccc(N(C)CC[NH2+]CC(C)C)c1 ZINC000052516670 175275218 /nfs/dbraw/zinc/27/52/18/175275218.db2.gz YPGXLSJGMQQYEY-UHFFFAOYSA-N 1 0 236.359 2.377 10 0 BEAERO COc1cccc(N(CC[NH3+])CC(C)C)c1 ZINC000076611371 175275425 /nfs/dbraw/zinc/27/54/25/175275425.db2.gz RCMFTWCAURUDIJ-UHFFFAOYSA-N 1 0 222.332 2.116 10 0 BEAERO COc1cccc(N2C[C@@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049665511 175275722 /nfs/dbraw/zinc/27/57/22/175275722.db2.gz YEHIDZDMYKCASB-STQMWFEESA-N 1 0 248.370 2.377 10 0 BEAERO COc1cccc(NC(=O)[C@@H](C)CCC[NH3+])c1 ZINC000076619136 175277527 /nfs/dbraw/zinc/27/75/27/175277527.db2.gz AXOPXDSKWINCGA-JTQLQIEISA-N 1 0 236.315 2.009 10 0 BEAERO COc1cccc(NCC[NH+]2CCCC2)c1 ZINC000041234299 175277837 /nfs/dbraw/zinc/27/78/37/175277837.db2.gz DRSLQDFAKAHTGV-UHFFFAOYSA-N 1 0 220.316 2.203 10 0 BEAERO COc1cccc(NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000054239995 175279436 /nfs/dbraw/zinc/27/94/36/175279436.db2.gz DGCHYIUQNDHUEG-LBPRGKRZSA-N 1 0 234.343 2.449 10 0 BEAERO COc1cccc([C@@H](C[NH3+])n2nc(C)cc2C)c1 ZINC000043028795 175288198 /nfs/dbraw/zinc/28/81/98/175288198.db2.gz GSYHOQFQEHGKPY-CQSZACIVSA-N 1 0 245.326 2.057 10 0 BEAERO COc1cccc([C@@H]([NH3+])C[C@@H]2CCCO2)c1 ZINC000037466668 175288668 /nfs/dbraw/zinc/28/86/68/175288668.db2.gz WDACPBGQPGPWFQ-STQMWFEESA-N 1 0 221.300 2.264 10 0 BEAERO COc1cccc([C@@H](N)C[N@H+](C)CC2CC2)c1 ZINC000037925424 175289032 /nfs/dbraw/zinc/28/90/32/175289032.db2.gz ULFFFNDMHROAFF-AWEZNQCLSA-N 1 0 234.343 2.037 10 0 BEAERO COc1cccc([C@@H]([NH3+])Cc2nccs2)c1 ZINC000036279081 175289214 /nfs/dbraw/zinc/28/92/14/175289214.db2.gz JVBJSLIHSMQRDH-NSHDSACASA-N 1 0 234.324 2.394 10 0 BEAERO COc1cccc([C@@H](O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000054682511 175289815 /nfs/dbraw/zinc/28/98/15/175289815.db2.gz SBACAJZJLBCZAU-LSDHHAIUSA-N 1 0 243.306 2.429 10 0 BEAERO COc1cccc([C@@H]2C[NH2+][C@@H](C)C2)c1OC ZINC000070586779 175290940 /nfs/dbraw/zinc/29/09/40/175290940.db2.gz BWWSIXJYNHKROV-UWVGGRQHSA-N 1 0 221.300 2.169 10 0 BEAERO COc1cccc([C@@H]2[NH2+]CC[C@@H]2C)c1OC ZINC000003733756 175290986 /nfs/dbraw/zinc/29/09/86/175290986.db2.gz AZTOPYQOSAALLA-JOYOIKCWSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cccc([C@@H]2[C@H](C[NH3+])C2(C)C)c1OC ZINC000076682579 175291590 /nfs/dbraw/zinc/29/15/90/175291590.db2.gz LAFTVYQVSAFNOO-CMPLNLGQSA-N 1 0 235.327 2.402 10 0 BEAERO COc1cccc([C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000070627882 175293857 /nfs/dbraw/zinc/29/38/57/175293857.db2.gz FEWXZMIVEAKPBV-CMPLNLGQSA-N 1 0 205.301 2.408 10 0 BEAERO COc1cccc([C@H]([NH3+])c2ccncc2)c1F ZINC000075871360 175295131 /nfs/dbraw/zinc/29/51/31/175295131.db2.gz CMXVNIZPZLQLAY-CYBMUJFWSA-N 1 0 232.258 2.277 10 0 BEAERO COc1cccc([C@H](O)CC[NH2+]C(C)C)c1 ZINC000049819438 175295196 /nfs/dbraw/zinc/29/51/96/175295196.db2.gz NERGIRWOGDCQHY-CYBMUJFWSA-N 1 0 223.316 2.117 10 0 BEAERO COc1cccc([C@H]2C[NH2+]C[C@@H](C)C2)c1OC ZINC000083109987 175295672 /nfs/dbraw/zinc/29/56/72/175295672.db2.gz XWWLGEZPALXKDO-WDEREUQCSA-N 1 0 235.327 2.417 10 0 BEAERO COc1cccc([C@H](SC)[C@@H](C)[NH3+])c1 ZINC000043032982 175296333 /nfs/dbraw/zinc/29/63/33/175296333.db2.gz XEOKAUOVLDSSLV-LDYMZIIASA-N 1 0 211.330 2.447 10 0 BEAERO COc1cccc([C@](C)([NH3+])c2cccnc2)c1 ZINC000037761487 175296484 /nfs/dbraw/zinc/29/64/84/175296484.db2.gz LPONNOOKCDDMPA-AWEZNQCLSA-N 1 0 228.295 2.312 10 0 BEAERO COc1cccc([C@H]2C[C@@H](C)C[NH2+]2)c1OC ZINC000003705251 175297016 /nfs/dbraw/zinc/29/70/16/175297016.db2.gz DFWRMXSFFUYXGY-MWLCHTKSSA-N 1 0 221.300 2.374 10 0 BEAERO COc1cccc2c1CC[NH2+][C@@H]2C1CCOCC1 ZINC000083665567 175301163 /nfs/dbraw/zinc/30/11/63/175301163.db2.gz IKDWSLBNGTVIIF-OAHLLOKOSA-N 1 0 247.338 2.309 10 0 BEAERO COc1ccccc1-n1ncc(C[NH3+])c1C(C)C ZINC000071559997 175312684 /nfs/dbraw/zinc/31/26/84/175312684.db2.gz XMLMQPYQCWEGLW-UHFFFAOYSA-N 1 0 245.326 2.463 10 0 BEAERO COc1ccccc1/C=C\CN(C)CC[NH+](C)C ZINC000033394644 175315578 /nfs/dbraw/zinc/31/55/78/175315578.db2.gz VCKJOTCFUKWFLI-CLFYSBASSA-N 1 0 248.370 2.202 10 0 BEAERO COc1ccccc1CC(=O)C[NH2+]C(C)(C)C ZINC000077008966 175321015 /nfs/dbraw/zinc/32/10/15/175321015.db2.gz XMWUDLTUNBNWFZ-UHFFFAOYSA-N 1 0 235.327 2.195 10 0 BEAERO COc1ccccc1CC[NH2+]Cc1ccc[nH]1 ZINC000083357532 175323821 /nfs/dbraw/zinc/32/38/21/175323821.db2.gz GPFFOXYOCVQHDW-UHFFFAOYSA-N 1 0 230.311 2.356 10 0 BEAERO COc1ccccc1CCn1ccc(CC[NH3+])c1 ZINC000071559148 175324485 /nfs/dbraw/zinc/32/44/85/175324485.db2.gz XXQWAZPHHDHCEE-UHFFFAOYSA-N 1 0 244.338 2.241 10 0 BEAERO COc1ccccc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000378353019 175326599 /nfs/dbraw/zinc/32/65/99/175326599.db2.gz ZSCLTOMQQWHYAU-CYBMUJFWSA-N 1 0 249.354 2.290 10 0 BEAERO COc1ccccc1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000294930703 175326877 /nfs/dbraw/zinc/32/68/77/175326877.db2.gz GFJMSGGDEGSOQI-DGCLKSJQSA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccccc1CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234875260 175327453 /nfs/dbraw/zinc/32/74/53/175327453.db2.gz WNJCGXLIEFXPBA-GXTWGEPZSA-N 1 0 248.370 2.254 10 0 BEAERO COc1ccccc1C[NH2+]Cc1ccc[nH]1 ZINC000048409018 175330476 /nfs/dbraw/zinc/33/04/76/175330476.db2.gz APOZOIOZUCRORC-UHFFFAOYSA-N 1 0 216.284 2.313 10 0 BEAERO COc1ccccc1C[C@@H]1CCC[C@H]1[NH3+] ZINC000043457493 175332792 /nfs/dbraw/zinc/33/27/92/175332792.db2.gz OVKNASVDCAGKLZ-CMPLNLGQSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccccc1C[C@H]([NH3+])C1CCC1 ZINC000038129641 175333915 /nfs/dbraw/zinc/33/39/15/175333915.db2.gz RRAYHANDOYBJCV-LBPRGKRZSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccccc1C[C@](C)(C[NH3+])N1CCCC1 ZINC000037734849 175333984 /nfs/dbraw/zinc/33/39/84/175333984.db2.gz BYGLAMPJOYMKKL-OAHLLOKOSA-N 1 0 248.370 2.051 10 0 BEAERO COc1ccccc1N(CC[NH3+])Cc1ccco1 ZINC000020238594 175335637 /nfs/dbraw/zinc/33/56/37/175335637.db2.gz WSJRDDAJNOIRLF-UHFFFAOYSA-N 1 0 246.310 2.254 10 0 BEAERO COc1ccccc1N1CCC[NH2+][C@@H](C)CC1 ZINC000049663091 175336189 /nfs/dbraw/zinc/33/61/89/175336189.db2.gz LAFFGSVTYJZMEV-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO COc1ccccc1NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019430436 175336539 /nfs/dbraw/zinc/33/65/39/175336539.db2.gz YYXFZCNXRFNKQD-QWRGUYRKSA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccccc1OCCCCC[NH3+] ZINC000041218711 175340544 /nfs/dbraw/zinc/34/05/44/175340544.db2.gz VEXTYQUMSKIBBK-UHFFFAOYSA-N 1 0 209.289 2.203 10 0 BEAERO COc1ccccc1[C@@H](C)N1CCC([NH3+])CC1 ZINC000020521567 175344217 /nfs/dbraw/zinc/34/42/17/175344217.db2.gz LHFQZJUYORBTPC-LLVKDONJSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])[C@H]1CCSC1 ZINC000082362127 175347357 /nfs/dbraw/zinc/34/73/57/175347357.db2.gz KXIYBQYQQQIUPM-CABZTGNLSA-N 1 0 223.341 2.448 10 0 BEAERO COc1ccccc1[C@H](O)C[NH+]1CCC(C)CC1 ZINC000032104754 175354086 /nfs/dbraw/zinc/35/40/86/175354086.db2.gz NHWZREJTIFSZAJ-CQSZACIVSA-N 1 0 249.354 2.461 10 0 BEAERO COc1ccccc1[C@H](O)CC[NH2+]C(C)C ZINC000049819434 175354266 /nfs/dbraw/zinc/35/42/66/175354266.db2.gz SPBJOFFABWOYQU-GFCCVEGCSA-N 1 0 223.316 2.117 10 0 BEAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])n1cc(C)cn1 ZINC000043098766 175354596 /nfs/dbraw/zinc/35/45/96/175354596.db2.gz DWEQTROJRABNKD-RISCZKNCSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccccc1[C@H]1C[NH2+]CC(C)(C)O1 ZINC000011803121 175354983 /nfs/dbraw/zinc/35/49/83/175354983.db2.gz IHUTXWDIXVHILB-GFCCVEGCSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccccc1[C@H]1C[NH2+]CCS1 ZINC000041218899 175355432 /nfs/dbraw/zinc/35/54/32/175355432.db2.gz CITYJMJUDUIQRJ-LLVKDONJSA-N 1 0 209.314 2.073 10 0 BEAERO COc1nc(Cl)c(C[NH2+]C(C)C)s1 ZINC000045206326 175392158 /nfs/dbraw/zinc/39/21/58/175392158.db2.gz CYPQZSSTNRCURM-UHFFFAOYSA-N 1 0 220.725 2.303 10 0 BEAERO OC1CC(C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091525423 322931375 /nfs/dbraw/zinc/93/13/75/322931375.db2.gz VMHNSUPIKITGEV-KWCHVYNWSA-N 1 0 231.339 2.498 10 0 BEAERO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCF ZINC000336662038 175567399 /nfs/dbraw/zinc/56/73/99/175567399.db2.gz CVZLQBOEHUTFFX-FIQHERPVSA-N 1 0 249.395 2.217 10 0 BEAERO C[C@@H](CC(=O)N[C@H]1CCC[C@@H]1[NH3+])CC(C)(C)C ZINC000063173398 175642480 /nfs/dbraw/zinc/64/24/80/175642480.db2.gz WQMDYCGPUPNWDB-SRVKXCTJSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H](CCC[NH3+])C(=O)N(C)c1ccccc1 ZINC000076610283 175664879 /nfs/dbraw/zinc/66/48/79/175664879.db2.gz JXIWZHBSMKTURV-NSHDSACASA-N 1 0 220.316 2.024 10 0 BEAERO C[C@@H](C[NH3+])N(C)c1ccccc1Br ZINC000020260937 175709620 /nfs/dbraw/zinc/70/96/20/175709620.db2.gz QXUJCTWRNBUYJB-QMMMGPOBSA-N 1 0 243.148 2.233 10 0 BEAERO C[C@@H](C[NH3+])N(C)c1ccc(C(F)(F)F)cc1 ZINC000077362630 175710071 /nfs/dbraw/zinc/71/00/71/175710071.db2.gz SZFNAVPKWRUXSB-QMMMGPOBSA-N 1 0 232.249 2.489 10 0 BEAERO C[C@@H](Cc1ccco1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000062772254 175774629 /nfs/dbraw/zinc/77/46/29/175774629.db2.gz MQWWTHIJRCVEDQ-AEGPPILISA-N 1 0 248.370 2.427 10 0 BEAERO C[C@@H]([NH3+])Cc1nc2cc(Cl)ccc2o1 ZINC000036978565 175807865 /nfs/dbraw/zinc/80/78/65/175807865.db2.gz WLHVDCZSGXCYII-ZCFIWIBFSA-N 1 0 210.664 2.371 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1ccccc1F)N1CCCC1 ZINC000043042133 175809969 /nfs/dbraw/zinc/80/99/69/175809969.db2.gz CZSULODCYWJBAD-MFKMUULPSA-N 1 0 222.307 2.310 10 0 BEAERO C[C@@H]([NH3+])c1c(F)cccc1OC[C@@H]1CCCO1 ZINC000019873230 175815995 /nfs/dbraw/zinc/81/59/95/175815995.db2.gz SBNNQEFXWRHDLY-ZJUUUORDSA-N 1 0 239.290 2.403 10 0 BEAERO C[C@@H]([NH2+]CC1CCC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000037179494 175869544 /nfs/dbraw/zinc/86/95/44/175869544.db2.gz BLGJENOSGYEQGF-SECBINFHSA-N 1 0 245.326 2.307 10 0 BEAERO C[C@@H]([NH2+]CC1CCCC1)C(=O)N1CCCCC1 ZINC000037258449 175870147 /nfs/dbraw/zinc/87/01/47/175870147.db2.gz DWSIFCHWNKGMHI-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO C[C@@H](O)c1ccccc1N(C)CC[NH+]1CCCC1 ZINC000063052341 176000135 /nfs/dbraw/zinc/00/01/35/176000135.db2.gz XZUVGYAPJNROPY-CYBMUJFWSA-N 1 0 248.370 2.272 10 0 BEAERO C[C@@H](OCCC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068667 176002390 /nfs/dbraw/zinc/00/23/90/176002390.db2.gz KYXOMBJKPUAZNJ-CHWSQXEVSA-N 1 0 249.358 2.334 10 0 BEAERO C[C@@H](OCCC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095068613 176002719 /nfs/dbraw/zinc/00/27/19/176002719.db2.gz CNZLTYDXPBFZPX-LLVKDONJSA-N 1 0 222.332 2.482 10 0 BEAERO C[C@@H](OC[C@@H]1CCOC1)[C@@H]([NH3+])c1ccccc1 ZINC000049689427 176003047 /nfs/dbraw/zinc/00/30/47/176003047.db2.gz UWRUGRXSBGHAIN-YRGRVCCFSA-N 1 0 235.327 2.128 10 0 BEAERO C[C@@H](Oc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000118583786 176003998 /nfs/dbraw/zinc/00/39/98/176003998.db2.gz PEGVPEBDTPLPRH-MRVPVSSYSA-N 1 0 211.692 2.327 10 0 BEAERO C[C@@H](c1ccc(O)cc1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000104358646 176017224 /nfs/dbraw/zinc/01/72/24/176017224.db2.gz UPXGGXKMMGXPTI-WCQYABFASA-N 1 0 234.343 2.137 10 0 BEAERO C[C@@H](c1cccc(N)n1)[NH+]1CCCCC1 ZINC000238452479 176017578 /nfs/dbraw/zinc/01/75/78/176017578.db2.gz UIDNNDPXZAFZCK-JTQLQIEISA-N 1 0 205.305 2.211 10 0 BEAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCOC[C@H]1C ZINC000040908164 176017645 /nfs/dbraw/zinc/01/76/45/176017645.db2.gz KOMSFGSCYBWTOK-MNOVXSKESA-N 1 0 220.316 2.051 10 0 BEAERO C[C@@H](c1ccccc1)N1CC[C@]2(CCC[NH2+]2)C1=O ZINC000095936742 176022079 /nfs/dbraw/zinc/02/20/79/176022079.db2.gz QMWOZZGFRDKLFO-SWLSCSKDSA-N 1 0 244.338 2.102 10 0 BEAERO C[C@@H]([NH3+])[C@H]1CCCCN1[C@@H](C)c1cccnc1 ZINC000063191232 176029483 /nfs/dbraw/zinc/02/94/83/176029483.db2.gz DOJTUUZOJJMLKI-MBNYWOFBSA-N 1 0 233.359 2.344 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2ncon2)C1 ZINC000036762103 176052438 /nfs/dbraw/zinc/05/24/38/176052438.db2.gz VSWUSITZJMVUPS-LDYMZIIASA-N 1 0 209.293 2.070 10 0 BEAERO C[C@H]1CC([NH2+]CCC[NH+](C)C)C[C@@H](C)C1 ZINC000082829454 176055467 /nfs/dbraw/zinc/05/54/67/176055467.db2.gz CWHACVBARSMTPG-FUNVUKJBSA-N 1 0 212.381 2.352 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1N ZINC000022152043 176069090 /nfs/dbraw/zinc/06/90/90/176069090.db2.gz WMBHPABDWBBKSX-LLVKDONJSA-N 1 0 247.342 2.082 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309367947 176077298 /nfs/dbraw/zinc/07/72/98/176077298.db2.gz BNLVZVPNLNYYKJ-KSTCHIGDSA-N 1 0 223.360 2.295 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nccn1C ZINC000042862407 176077630 /nfs/dbraw/zinc/07/76/30/176077630.db2.gz DUKNSLJYPYHOGU-VXGBXAGGSA-N 1 0 221.348 2.336 10 0 BEAERO C[C@@H]1CCCC[C@@H]1Oc1cc(C[NH3+])ccn1 ZINC000019398764 176082687 /nfs/dbraw/zinc/08/26/87/176082687.db2.gz JVKIQMWYPRUHMY-PWSUYJOCSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCC[C@H]1[NH2+]CCc1nccn1C ZINC000040638578 176088479 /nfs/dbraw/zinc/08/84/79/176088479.db2.gz NOYVIULOYKGVDQ-VXGBXAGGSA-N 1 0 221.348 2.131 10 0 BEAERO C[C@@H]1CCCC[C@H]1Oc1ncccc1C[NH3+] ZINC000019280158 176090171 /nfs/dbraw/zinc/09/01/71/176090171.db2.gz LEARJVQTAZHKKP-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000055122570 176092082 /nfs/dbraw/zinc/09/20/82/176092082.db2.gz ZROQCTUMKORRPG-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCC[N@H+](CC2(N)CCCCC2)C1 ZINC000020071957 176096309 /nfs/dbraw/zinc/09/63/09/176096309.db2.gz SVXMRRIHRIRPGX-GFCCVEGCSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1CCC[N@H+](CCOc2ccccc2N)C1 ZINC000033465255 176097579 /nfs/dbraw/zinc/09/75/79/176097579.db2.gz BIUAFGVQHOEPMF-GFCCVEGCSA-N 1 0 234.343 2.380 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@H](CN)CC(C)(C)C)C1 ZINC000061839647 176103095 /nfs/dbraw/zinc/10/30/95/176103095.db2.gz XFRGJMKTGWRBIF-NEPJUHHUSA-N 1 0 212.381 2.482 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000037910295 176109652 /nfs/dbraw/zinc/10/96/52/176109652.db2.gz ULCUJAXFFDEHGY-RNCFNFMXSA-N 1 0 240.297 2.449 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000037910443 176109945 /nfs/dbraw/zinc/10/99/45/176109945.db2.gz GMMCSGFNTMGBOJ-MFKMUULPSA-N 1 0 222.307 2.310 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccccc2)[NH2+]1 ZINC000019479799 176113000 /nfs/dbraw/zinc/11/30/00/176113000.db2.gz ULIPTJZIMZIANI-OCCSQVGLSA-N 1 0 246.354 2.176 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2F)[NH2+]1 ZINC000019509169 176113369 /nfs/dbraw/zinc/11/33/69/176113369.db2.gz NPZYWUWVHUZOLS-SKDRFNHKSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[N@@H+]1CCCNCC1 ZINC000038086876 176113549 /nfs/dbraw/zinc/11/35/49/176113549.db2.gz INYKWAIEHFIAJY-VXGBXAGGSA-N 1 0 210.365 2.106 10 0 BEAERO C[C@@H]1CCC[C@@H](N(C)C(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000042495037 176119928 /nfs/dbraw/zinc/11/99/28/176119928.db2.gz AXAMRHGNHTVROJ-MPKXVKKWSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)c2ccccc2)C1 ZINC000104322325 176133816 /nfs/dbraw/zinc/13/38/16/176133816.db2.gz NHNVYOYYGKTZON-IUODEOHRSA-N 1 0 246.354 2.324 10 0 BEAERO C[C@@H]1CCC[C@@](CO)([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000053117240 176134144 /nfs/dbraw/zinc/13/41/44/176134144.db2.gz CIHNNBLTFGIWTR-HZSPNIEDSA-N 1 0 239.359 2.210 10 0 BEAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1ccc2c(c1)OCCO2 ZINC000077417487 176134330 /nfs/dbraw/zinc/13/43/30/176134330.db2.gz SZXGZEORLPMDJW-ABAIWWIYSA-N 1 0 247.338 2.474 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000042494806 176140931 /nfs/dbraw/zinc/14/09/31/176140931.db2.gz AJKCBCMNYSOEAS-AGIUHOORSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000238852419 176145551 /nfs/dbraw/zinc/14/55/51/176145551.db2.gz FWLYDNZTZDRXHT-MROQNXINSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]1CCC[C@](CN)([NH+]2CCCCC2)C1 ZINC000019436241 176151355 /nfs/dbraw/zinc/15/13/55/176151355.db2.gz CBTZRGDTKZXRRG-OLZOCXBDSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@@H]1CCC[C@]([NH2+]C2CCCCC2)(C(N)=O)C1 ZINC000037969662 176152473 /nfs/dbraw/zinc/15/24/73/176152473.db2.gz PDQJSWKTFPWRIF-BXUZGUMPSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccc2c(c1)OCO2 ZINC000077366245 176152505 /nfs/dbraw/zinc/15/25/05/176152505.db2.gz SZQNVOXIHLIZHF-QMTHXVAHSA-N 1 0 233.311 2.432 10 0 BEAERO C[C@@H]1CCN(Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000235335962 176175445 /nfs/dbraw/zinc/17/54/45/176175445.db2.gz UWNJFJQWNQPCLB-BXUZGUMPSA-N 1 0 236.334 2.385 10 0 BEAERO C[C@@H]1CCN(c2cc(F)cc(F)c2)CC[NH2+]1 ZINC000049661699 176179867 /nfs/dbraw/zinc/17/98/67/176179867.db2.gz LWMJAODPWWWDGZ-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H](CN)c2ccccc2)C1 ZINC000042278819 176180330 /nfs/dbraw/zinc/18/03/30/176180330.db2.gz GLBLILZAPAZPKL-YPMHNXCESA-N 1 0 204.317 2.028 10 0 BEAERO C[C@@H]1CCN(c2ccc(Cl)c(C[NH3+])n2)C1 ZINC000051397174 176181896 /nfs/dbraw/zinc/18/18/96/176181896.db2.gz NXAWGVXKRBNFQA-MRVPVSSYSA-N 1 0 225.723 2.040 10 0 BEAERO C[C@@H]([NH3+])c1cnc(N2CC[C@@H](C)C2)s1 ZINC000054896475 176182294 /nfs/dbraw/zinc/18/22/94/176182294.db2.gz VJUJANIUYUBZPW-HTQZYQBOSA-N 1 0 211.334 2.009 10 0 BEAERO C[C@@H]1CCN(c2nc3ccccc3o2)[C@@H](C[NH3+])C1 ZINC000235395333 176182661 /nfs/dbraw/zinc/18/26/61/176182661.db2.gz XGFRVQBWPOYMCZ-GHMZBOCLSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H]1c1ccc2c(c1)OCCO2 ZINC000082786293 176186352 /nfs/dbraw/zinc/18/63/52/176186352.db2.gz OYTQCNBPZYHZAU-RNCFNFMXSA-N 1 0 219.284 2.128 10 0 BEAERO C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000104436959 176186488 /nfs/dbraw/zinc/18/64/88/176186488.db2.gz ADKURJMFOWIJOR-IJLUTSLNSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)N(C)c2ccccc2)C[NH2+]1 ZINC000019477491 176194401 /nfs/dbraw/zinc/19/44/01/176194401.db2.gz ISPMTFLXHLFOJB-VXGBXAGGSA-N 1 0 232.327 2.038 10 0 BEAERO C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C)c2ccccc21 ZINC000124829427 176210227 /nfs/dbraw/zinc/21/02/27/176210227.db2.gz DJHRVXPZNRMBMQ-BXUZGUMPSA-N 1 0 246.354 2.303 10 0 BEAERO C[C@@H]1CC[C@H](CNC(=O)C2CCCCC2)C[NH2+]1 ZINC000062036581 176225145 /nfs/dbraw/zinc/22/51/45/176225145.db2.gz KAFFHHAJEPGRCD-NEPJUHHUSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](N(C)CCc2ccccn2)C1 ZINC000034679441 176228467 /nfs/dbraw/zinc/22/84/67/176228467.db2.gz PWUAPXBRNYIAMH-VHDGCEQUSA-N 1 0 247.386 2.072 10 0 BEAERO C[C@@H]1CC[C@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C1 ZINC000294018880 176231543 /nfs/dbraw/zinc/23/15/43/176231543.db2.gz HFCZIAJOQQASIY-PWSUYJOCSA-N 1 0 232.327 2.334 10 0 BEAERO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH+](C)C ZINC000073654814 176253359 /nfs/dbraw/zinc/25/33/59/176253359.db2.gz QJNAZWOBMLIBOB-MNOVXSKESA-N 1 0 242.363 2.194 10 0 BEAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000358091785 176274006 /nfs/dbraw/zinc/27/40/06/176274006.db2.gz VWIROWHZCDCPTK-XBFCOCLRSA-N 1 0 246.354 2.050 10 0 BEAERO C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000358003013 176279174 /nfs/dbraw/zinc/27/91/74/176279174.db2.gz IFQGRSBOCQIAND-BYCMXARLSA-N 1 0 230.355 2.214 10 0 BEAERO C[C@@H]1C[N@H+](CCc2ccccc2N)CC(C)(C)O1 ZINC000052918696 176293649 /nfs/dbraw/zinc/29/36/49/176293649.db2.gz DHSFLOMWOLDDKU-GFCCVEGCSA-N 1 0 248.370 2.311 10 0 BEAERO C[C@H]1[C@@H]([NH3+])CN(Cc2ccccc2)C[C@H]1C ZINC000068592930 176305316 /nfs/dbraw/zinc/30/53/16/176305316.db2.gz NMWRIHNNQCIKCJ-BZPMIXESSA-N 1 0 218.344 2.102 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+](C)C ZINC000073654497 176306665 /nfs/dbraw/zinc/30/66/65/176306665.db2.gz KAKCSWWQYPXOFQ-HIFRSBDPSA-N 1 0 232.371 2.459 10 0 BEAERO C[C@@H]1C[NH+]([C@H]2CNc3ccccc3C2)C[C@@H](C)O1 ZINC000037761074 176317651 /nfs/dbraw/zinc/31/76/51/176317651.db2.gz HEOWVDLDMRJWBO-YRGRVCCFSA-N 1 0 246.354 2.132 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccc(F)cc1 ZINC000041271405 176324748 /nfs/dbraw/zinc/32/47/48/176324748.db2.gz OGJDIQAAUSUNRM-LLVKDONJSA-N 1 0 236.334 2.398 10 0 BEAERO C[C@@H]1CNCC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046679 176326040 /nfs/dbraw/zinc/32/60/40/176326040.db2.gz NMZHWCNDTDUUQU-GFCCVEGCSA-N 1 0 210.365 2.251 10 0 BEAERO C[C@@H]1C[NH2+]CCN1CC/C=C/c1ccccc1 ZINC000085340203 176326969 /nfs/dbraw/zinc/32/69/69/176326969.db2.gz KWGVGUOIYXQNRS-VZUFXWRPSA-N 1 0 230.355 2.384 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(F)c(F)c2)O1 ZINC000036673242 176328661 /nfs/dbraw/zinc/32/86/61/176328661.db2.gz FMLIRMVDZSOXDW-HQJQHLMTSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@@H]1COC[C@@H](C)[NH+]1CC[C@H](O)c1ccccc1 ZINC000290540466 176347151 /nfs/dbraw/zinc/34/71/51/176347151.db2.gz ZVTIDFMWJBKAJM-NFAWXSAZSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](C2(CN)CCCC2)C1 ZINC000019433479 176360431 /nfs/dbraw/zinc/36/04/31/176360431.db2.gz BPRNPKIVYQYIKB-VXGBXAGGSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCC[C@@H]2N)C1 ZINC000019390121 176362119 /nfs/dbraw/zinc/36/21/19/176362119.db2.gz XBCBFSSRCVGIEN-FVCCEPFGSA-N 1 0 210.365 2.234 10 0 BEAERO C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068593022 176362497 /nfs/dbraw/zinc/36/24/97/176362497.db2.gz JZDOXTQRTHHGOG-BZPMIXESSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@H](CC(=O)N1C[C@H](C[NH3+])C[C@H]1C)C(C)(C)C ZINC000131891007 176367314 /nfs/dbraw/zinc/36/73/14/176367314.db2.gz ICWVLPADVNPTRK-UTUOFQBUSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)CC(C)(C)C1 ZINC000037998162 176376375 /nfs/dbraw/zinc/37/63/75/176376375.db2.gz PTYGRLVLEZAHCK-JHJVBQTASA-N 1 0 241.375 2.206 10 0 BEAERO C[C@@H]1C[C@@H](OC(=O)CC[NH3+])CC(C)(C)C1 ZINC000040410909 176382499 /nfs/dbraw/zinc/38/24/99/176382499.db2.gz ZNYPJDHEAFFIRF-NXEZZACHSA-N 1 0 213.321 2.093 10 0 BEAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336761140 176396487 /nfs/dbraw/zinc/39/64/87/176396487.db2.gz MWNUSRLTNOVHFE-UTUOFQBUSA-N 1 0 209.333 2.049 10 0 BEAERO C[C@@H]1C[C@H]1CN(C)c1ccc(F)cc1CC[NH3+] ZINC000104409593 176435500 /nfs/dbraw/zinc/43/55/00/176435500.db2.gz TXZDNPUKYSUSPO-PWSUYJOCSA-N 1 0 236.334 2.419 10 0 BEAERO C[C@@](O)(c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000071550470 176520116 /nfs/dbraw/zinc/52/01/16/176520116.db2.gz MRBJTNLQGHGRKY-GXFFZTMASA-N 1 0 241.281 2.172 10 0 BEAERO C[C@H](C1CC1)N(C)c1ccc(Cl)c(C[NH3+])n1 ZINC000051396947 176593194 /nfs/dbraw/zinc/59/31/94/176593194.db2.gz UQXLNMOZBHLGHV-MRVPVSSYSA-N 1 0 239.750 2.428 10 0 BEAERO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1CCF)[S@@](C)=O ZINC000309762250 176629917 /nfs/dbraw/zinc/62/99/17/176629917.db2.gz MVRVOMNAKMQXQB-AZKPJATDSA-N 1 0 249.395 2.261 10 0 BEAERO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309599097 176639484 /nfs/dbraw/zinc/63/94/84/176639484.db2.gz XDEHWCNQUQWVAF-QHSOUUPTSA-N 1 0 249.395 2.261 10 0 BEAERO C[C@H](C[NH3+])Sc1ccc(F)cc1F ZINC000043514578 176661892 /nfs/dbraw/zinc/66/18/92/176661892.db2.gz RDIOBDJNSPAQAV-ZCFIWIBFSA-N 1 0 203.257 2.404 10 0 BEAERO C[C@H](C[NH3+])Sc1ccc(F)c(F)c1 ZINC000043514582 176662426 /nfs/dbraw/zinc/66/24/26/176662426.db2.gz JLGYHOGWIKYALC-ZCFIWIBFSA-N 1 0 203.257 2.404 10 0 BEAERO C[C@H](CNc1ccc(N)cc1Cl)[NH+](C)C ZINC000045105837 176686352 /nfs/dbraw/zinc/68/63/52/176686352.db2.gz LNGZTNXWXBREIJ-MRVPVSSYSA-N 1 0 227.739 2.284 10 0 BEAERO C[C@H]([NH3+])CC(=O)Nc1cccc(-c2cnco2)c1 ZINC000037768130 176757192 /nfs/dbraw/zinc/75/71/92/176757192.db2.gz WZJJUMLGRDMYNU-VIFPVBQESA-N 1 0 245.282 2.017 10 0 BEAERO C[C@H]([NH3+])CCc1ccc2c(c1)OCCCO2 ZINC000070636266 176760148 /nfs/dbraw/zinc/76/01/48/176760148.db2.gz JSKALEVXNSABJB-JTQLQIEISA-N 1 0 221.300 2.128 10 0 BEAERO C[C@H]([NH3+])COc1ccc(F)cc1Br ZINC000075881390 176760857 /nfs/dbraw/zinc/76/08/57/176760857.db2.gz LZOHXKHVOIIPKM-LURJTMIESA-N 1 0 248.095 2.314 10 0 BEAERO C[C@H]([NH3+])c1cn2c(cccc2Br)n1 ZINC000076792310 176778189 /nfs/dbraw/zinc/77/81/89/176778189.db2.gz VLGFPESJCQZCNM-LURJTMIESA-N 1 0 240.104 2.117 10 0 BEAERO C[C@H]([NH2+]CC1CCOCC1)c1ccc(O)cc1 ZINC000104204467 176839179 /nfs/dbraw/zinc/83/91/79/176839179.db2.gz SJYBKZBKULJUHG-NSHDSACASA-N 1 0 235.327 2.469 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1F ZINC000368496034 176870826 /nfs/dbraw/zinc/87/08/26/176870826.db2.gz LXPQLMPBNUBIAG-XYJRDEOASA-N 1 0 235.302 2.369 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000134174099 176912047 /nfs/dbraw/zinc/91/20/47/176912047.db2.gz YHBGLBVLSJZXJN-AXFHLTTASA-N 1 0 225.307 2.493 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2c(c1)OCO2 ZINC000052271186 176930519 /nfs/dbraw/zinc/93/05/19/176930519.db2.gz BUSDPICUPVRNAF-YWVKMMECSA-N 1 0 219.284 2.474 10 0 BEAERO C[C@H](O)c1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000041289611 177017277 /nfs/dbraw/zinc/01/72/77/177017277.db2.gz JADHFBDMIJDADU-VIFPVBQESA-N 1 0 243.734 2.334 10 0 BEAERO C[C@H](O)c1ccccc1N(C)CCC[NH+](C)C ZINC000104195789 177018167 /nfs/dbraw/zinc/01/81/67/177018167.db2.gz RGRCHRYYXDPOKP-LBPRGKRZSA-N 1 0 236.359 2.128 10 0 BEAERO C[C@H](OC[C@@H]1CCOC1)[C@H]([NH3+])c1ccccc1 ZINC000049689424 177021260 /nfs/dbraw/zinc/02/12/60/177021260.db2.gz UWRUGRXSBGHAIN-SCRDCRAPSA-N 1 0 235.327 2.128 10 0 BEAERO C[C@H](OC[C@H]1CC[NH2+]C1)c1cccs1 ZINC000095068538 177021612 /nfs/dbraw/zinc/02/16/12/177021612.db2.gz NWCRSJZHLGRVBF-UWVGGRQHSA-N 1 0 211.330 2.435 10 0 BEAERO C[C@H](c1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000079902919 177035746 /nfs/dbraw/zinc/03/57/46/177035746.db2.gz PUHUMLDHCOHCNK-ZYHUDNBSSA-N 1 0 233.311 2.171 10 0 BEAERO C[C@H](c1ccccc1)N1CC[NH2+]C(C)(C)C1 ZINC000041232104 177040556 /nfs/dbraw/zinc/04/05/56/177040556.db2.gz IFEYBLOFTGJHSZ-GFCCVEGCSA-N 1 0 218.344 2.431 10 0 BEAERO C[C@H](c1cccnc1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602000 177045959 /nfs/dbraw/zinc/04/59/59/177045959.db2.gz GWGPXBLIJNURQP-JZIBPQBNSA-N 1 0 245.370 2.487 10 0 BEAERO C[C@H]1CC(C)(C)C[C@]([NH2+]CC2CC2)(C(N)=O)C1 ZINC000037947022 177064180 /nfs/dbraw/zinc/06/41/80/177064180.db2.gz NAROAVTZINAWIM-HZMBPMFUSA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1CC([NH2+]Cc2ccco2)C[C@H](C)O1 ZINC000096033678 177065124 /nfs/dbraw/zinc/06/51/24/177065124.db2.gz YHYBEANUFDMSJO-ZACCUICWSA-N 1 0 209.289 2.325 10 0 BEAERO C[C@H]1CC([NH2+]CCCn2ccnn2)C[C@H](C)C1 ZINC000126439419 177065520 /nfs/dbraw/zinc/06/55/20/177065520.db2.gz DGAREVMIWDDQJF-VXGBXAGGSA-N 1 0 236.363 2.083 10 0 BEAERO C[C@H]1CCC(=O)[C@@H](C[N@@H+]2CCOCC2(C)C)C1 ZINC000053929952 177068706 /nfs/dbraw/zinc/06/87/06/177068706.db2.gz GUKIQYXEPATGTN-NWDGAFQWSA-N 1 0 239.359 2.103 10 0 BEAERO C[C@H]1CCC(=O)[C@H](C[N@@H+]2CCOCC2(C)C)C1 ZINC000053929948 177068823 /nfs/dbraw/zinc/06/88/23/177068823.db2.gz GUKIQYXEPATGTN-RYUDHWBXSA-N 1 0 239.359 2.103 10 0 BEAERO C[C@H]1CCCCN1C(=O)C1CCC(C[NH3+])CC1 ZINC000055145212 177072267 /nfs/dbraw/zinc/07/22/67/177072267.db2.gz AKCQGGHRQSHFOC-HIFPTAJRSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042868012 177079941 /nfs/dbraw/zinc/07/99/41/177079941.db2.gz VLLGJGAXGZLLTG-XQQFMLRXSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCCNC1=O ZINC000042863165 177080229 /nfs/dbraw/zinc/08/02/29/177080229.db2.gz OQACUQLEVRDYJN-YNEHKIRRSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCCC[C@@H]1N(C)Cc1nnsc1N ZINC000050816843 177080343 /nfs/dbraw/zinc/08/03/43/177080343.db2.gz MVSYBFUBZOAUBP-WPRPVWTQSA-N 1 0 240.376 2.131 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037490846 177083704 /nfs/dbraw/zinc/08/37/04/177083704.db2.gz WPWNYIQXBGKSKO-RVMXOQNASA-N 1 0 211.349 2.458 10 0 BEAERO C[C@H]1CCCC[C@@H]1Oc1ncccc1C[NH3+] ZINC000019280156 177084326 /nfs/dbraw/zinc/08/43/26/177084326.db2.gz LEARJVQTAZHKKP-JQWIXIFHSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCCC[C@@H]1Oc1ccnc(C[NH3+])c1 ZINC000051524783 177084475 /nfs/dbraw/zinc/08/44/75/177084475.db2.gz RBMSLZATAMUSSX-GWCFXTLKSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+]CCC(=O)NC1CC1 ZINC000054049776 177086342 /nfs/dbraw/zinc/08/63/42/177086342.db2.gz OPNGPKNTOSSWDM-RYUDHWBXSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCCC[C@]1([NH3+])C(=O)OC(C)(C)C ZINC000041038357 177090251 /nfs/dbraw/zinc/09/02/51/177090251.db2.gz QQMSPLHHUQXYNS-JOYOIKCWSA-N 1 0 213.321 2.236 10 0 BEAERO C[C@H]1CCCC[C@H]1Oc1ccnc(C[NH3+])c1 ZINC000051524786 177090771 /nfs/dbraw/zinc/09/07/71/177090771.db2.gz RBMSLZATAMUSSX-GXFFZTMASA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1ccncc1 ZINC000036775729 177090782 /nfs/dbraw/zinc/09/07/82/177090782.db2.gz ZZDBJKTZMIKCAJ-DZGCQCFKSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2N)C1 ZINC000023071850 177104510 /nfs/dbraw/zinc/10/45/10/177104510.db2.gz IWBFIUDYUWGFOR-RWMBFGLXSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@H]1CCCN(c2nc3ccccn3c2C[NH3+])C1 ZINC000035433966 177105334 /nfs/dbraw/zinc/10/53/34/177105334.db2.gz FMBPITMPURTXRR-NSHDSACASA-N 1 0 244.342 2.029 10 0 BEAERO C[C@H]1CCCN1c1ncc(C[NH3+])cc1Cl ZINC000051396087 177113093 /nfs/dbraw/zinc/11/30/93/177113093.db2.gz HYHGDMKHCVRJPO-QMMMGPOBSA-N 1 0 225.723 2.182 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N2[C@H](C)CCC[C@@H]2C)[NH2+]1 ZINC000034651216 177115732 /nfs/dbraw/zinc/11/57/32/177115732.db2.gz YFGLFHHNUMDIQB-NDBYEHHHSA-N 1 0 238.375 2.307 10 0 BEAERO C[C@H]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042494765 177120829 /nfs/dbraw/zinc/12/08/29/177120829.db2.gz LYQLBIGJOKVHIC-RWMBFGLXSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]1[C@H](NC(=O)CCCCC[NH3+])CCC[C@@H]1C ZINC000019517023 177121290 /nfs/dbraw/zinc/12/12/90/177121290.db2.gz OZNFIYCFIPUQBM-YNEHKIRRSA-N 1 0 240.391 2.446 10 0 BEAERO C[C@H]1[C@H]([NH2+]C2CCN(C)CC2)CCC[C@@H]1C ZINC000019963158 177122921 /nfs/dbraw/zinc/12/29/21/177122921.db2.gz OCXYJURIFZNPON-OUCADQQQSA-N 1 0 224.392 2.495 10 0 BEAERO C[C@H]1CCC[C@@H](c2nccc(CC[NH3+])n2)C1 ZINC000054833587 177123428 /nfs/dbraw/zinc/12/34/28/177123428.db2.gz YOOGSXKKHJRWHQ-WDEREUQCSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@H]1CCC[C@H](C[NH2+]CCCn2ccnn2)C1 ZINC000126489339 177133052 /nfs/dbraw/zinc/13/30/52/177133052.db2.gz YFUWPEREYWYXSJ-STQMWFEESA-N 1 0 236.363 2.084 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000019963160 177136563 /nfs/dbraw/zinc/13/65/63/177136563.db2.gz OCXYJURIFZNPON-SCRDCRAPSA-N 1 0 224.392 2.495 10 0 BEAERO C[C@H]1CCC[C@H](c2ncc(CC[NH3+])cn2)C1 ZINC000054857381 177138879 /nfs/dbraw/zinc/13/88/79/177138879.db2.gz PSOMQYKOWMXHLW-JQWIXIFHSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@H]1CCC[C@H](c2ncc(C[NH3+])cn2)C1 ZINC000054855303 177139223 /nfs/dbraw/zinc/13/92/23/177139223.db2.gz IRMNLMIQENOPMT-ONGXEEELSA-N 1 0 205.305 2.229 10 0 BEAERO C[C@H]1CCC[C@]([NH2+]C2CCCCC2)(C(N)=O)C1 ZINC000037969663 177143396 /nfs/dbraw/zinc/14/33/96/177143396.db2.gz PDQJSWKTFPWRIF-SMDDNHRTSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@H]1CCC[C@]([NH2+]Cc2ccccc2)(C(N)=O)C1 ZINC000037941237 177143678 /nfs/dbraw/zinc/14/36/78/177143678.db2.gz XGDBVUADWFMIDR-SWLSCSKDSA-N 1 0 246.354 2.210 10 0 BEAERO C[C@H]1CC[N@@H+](C2(C)CCCCC2)CCN1 ZINC000045046691 177157605 /nfs/dbraw/zinc/15/76/05/177157605.db2.gz SNFMHMRMCCDLTH-LBPRGKRZSA-N 1 0 210.365 2.393 10 0 BEAERO C[C@H]1CCN(Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000235614126 177166636 /nfs/dbraw/zinc/16/66/36/177166636.db2.gz WUUKSFPUNMSPMU-CMPLNLGQSA-N 1 0 224.373 2.307 10 0 BEAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccoc1CN ZINC000052510019 177167073 /nfs/dbraw/zinc/16/70/73/177167073.db2.gz BYRAVZDZCLJHLC-WDEREUQCSA-N 1 0 222.332 2.359 10 0 BEAERO C[C@H]1CCN(c2nc3ccccc3o2)[C@@H](C[NH3+])C1 ZINC000235690821 177172122 /nfs/dbraw/zinc/17/21/22/177172122.db2.gz XGFRVQBWPOYMCZ-WDEREUQCSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@H]1CC[NH2+]CCN1CCCc1ccccc1 ZINC000062615888 177174565 /nfs/dbraw/zinc/17/45/65/177174565.db2.gz SEJVQZDYNYPPIJ-AWEZNQCLSA-N 1 0 232.371 2.303 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncc(Cl)cc1F ZINC000335657210 177174772 /nfs/dbraw/zinc/17/47/72/177174772.db2.gz OIXLFBVYFHDXLP-XVKPBYJWSA-N 1 0 243.713 2.284 10 0 BEAERO C[C@H]1CC[NH2+][C@H](C(=O)NCCC2CCCC2)C1 ZINC000126478251 177175325 /nfs/dbraw/zinc/17/53/25/177175325.db2.gz XNCYOGVNXISGAT-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[NH2+][C@H](C(=O)NCC2CCCCC2)C1 ZINC000126108362 177175603 /nfs/dbraw/zinc/17/56/03/177175603.db2.gz UZULDVZGGXHSNY-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000104436962 177175737 /nfs/dbraw/zinc/17/57/37/177175737.db2.gz ADKURJMFOWIJOR-QJPTWQEYSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)N(C)CC(C)(C)C)C[C@@H]1[NH3+] ZINC000055140752 177180244 /nfs/dbraw/zinc/18/02/44/177180244.db2.gz AVOKLOKYADMRQM-TUAOUCFPSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@H]1CC[C@@H]([NH2+]Cc2cncnc2)CC1 ZINC000106193272 177193359 /nfs/dbraw/zinc/19/33/59/177193359.db2.gz LNCPSGZKRYNOPQ-UMSPYCQHSA-N 1 0 205.305 2.145 10 0 BEAERO C[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2)C[NH2+]1 ZINC000019802779 177196987 /nfs/dbraw/zinc/19/69/87/177196987.db2.gz WHAXYXURPMGGSF-UWVGGRQHSA-N 1 0 236.290 2.152 10 0 BEAERO C[C@H]1CC[C@H](C[NH+]2CCC(c3cc[nH]n3)CC2)O1 ZINC000188579666 177202030 /nfs/dbraw/zinc/20/20/30/177202030.db2.gz GMJQRLGZOMEXHW-WCQYABFASA-N 1 0 249.358 2.157 10 0 BEAERO C[C@H](C[NH3+])c1nc2c(s1)C[C@@H](C)CC2 ZINC000011883552 177209997 /nfs/dbraw/zinc/20/99/97/177209997.db2.gz RDSNCAZREJSWBF-JGVFFNPUSA-N 1 0 210.346 2.330 10 0 BEAERO C[C@@H]([NH3+])Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000011883677 177210281 /nfs/dbraw/zinc/21/02/81/177210281.db2.gz GYEXSCNUZQSGJM-JGVFFNPUSA-N 1 0 210.346 2.158 10 0 BEAERO C[C@@H](CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C(C)(C)C ZINC000225167098 177217716 /nfs/dbraw/zinc/21/77/16/177217716.db2.gz WDIXRAPXDIIKIX-SDDRHHMPSA-N 1 0 240.391 2.268 10 0 BEAERO C[C@H]1C[N@H+](CCc2ccccc2N)CC(C)(C)O1 ZINC000052918697 177254272 /nfs/dbraw/zinc/25/42/72/177254272.db2.gz DHSFLOMWOLDDKU-LBPRGKRZSA-N 1 0 248.370 2.311 10 0 BEAERO C[C@H]1C[N@H+](C[C@H]2CCSC2)CCS1 ZINC000307029611 177258757 /nfs/dbraw/zinc/25/87/57/177258757.db2.gz MQOSYPSHXWSKJZ-VHSXEESVSA-N 1 0 217.403 2.177 10 0 BEAERO C[C@H]1C[N@H+](C[C@H](O)c2ccccc2)CCS1 ZINC000122516929 177259742 /nfs/dbraw/zinc/25/97/42/177259742.db2.gz LQDHDQHYTSDRQJ-AAEUAGOBSA-N 1 0 237.368 2.157 10 0 BEAERO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+](C)C ZINC000073654501 177264474 /nfs/dbraw/zinc/26/44/74/177264474.db2.gz KAKCSWWQYPXOFQ-ZFWWWQNUSA-N 1 0 232.371 2.459 10 0 BEAERO C[C@H]1C[NH+](Cc2cccc3c2NCC3)C[C@H](C)O1 ZINC000130464066 177265311 /nfs/dbraw/zinc/26/53/11/177265311.db2.gz USNYHOKYPURHIL-RYUDHWBXSA-N 1 0 246.354 2.264 10 0 BEAERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1O ZINC000095090646 177265940 /nfs/dbraw/zinc/26/59/40/177265940.db2.gz UDYDEKZXNWJGHP-ONXXMXGDSA-N 1 0 219.328 2.135 10 0 BEAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCO[C@@H](C)C1 ZINC000040908046 177273441 /nfs/dbraw/zinc/27/34/41/177273441.db2.gz WQSHQYYYYAXGRT-QWRGUYRKSA-N 1 0 220.316 2.051 10 0 BEAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000042900629 177274988 /nfs/dbraw/zinc/27/49/88/177274988.db2.gz RBEZPCYKQAGDDV-QVHKTLOISA-N 1 0 248.370 2.184 10 0 BEAERO C[C@H]1C[N@@H+]([C@H]2CNc3ccccc3C2)CCCO1 ZINC000061919028 177276516 /nfs/dbraw/zinc/27/65/16/177276516.db2.gz MJEGTJRZDLVVDW-GXTWGEPZSA-N 1 0 246.354 2.134 10 0 BEAERO C[C@H](Cc1ccco1)NC1=[NH+]C[C@H](C)S1 ZINC000042592115 177281969 /nfs/dbraw/zinc/28/19/69/177281969.db2.gz AQKHSUCCMLCCJA-BDAKNGLRSA-N 1 0 224.329 2.292 10 0 BEAERO C[C@H]1C[NH2+]CCN(c2cccc3ncccc32)C1 ZINC000049660947 177282390 /nfs/dbraw/zinc/28/23/90/177282390.db2.gz RAMZNAYJYNENAY-LBPRGKRZSA-N 1 0 241.338 2.281 10 0 BEAERO C[C@H]1CNCC[N@@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000059955282 177284122 /nfs/dbraw/zinc/28/41/22/177284122.db2.gz MKOBFWFLNNCIPV-DYQPHDICSA-N 1 0 234.387 2.249 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H](c2c(F)cccc2F)O1 ZINC000036673309 177286044 /nfs/dbraw/zinc/28/60/44/177286044.db2.gz FGNSIBYOQDJJOR-XVKPBYJWSA-N 1 0 213.227 2.014 10 0 BEAERO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000118760120 177295360 /nfs/dbraw/zinc/29/53/60/177295360.db2.gz UAIXEOIQIOOYES-AAEUAGOBSA-N 1 0 205.301 2.201 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1CCc1ccccc1 ZINC000120918024 177298482 /nfs/dbraw/zinc/29/84/82/177298482.db2.gz KJTUVJMVEZQKJO-BETUJISGSA-N 1 0 219.328 2.338 10 0 BEAERO C[C@@H]1C[C@H](C)CN(C(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000020597406 177310467 /nfs/dbraw/zinc/31/04/67/177310467.db2.gz GWYDYDOEELOGKO-XQQFMLRXSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)C1 ZINC000019485749 177311254 /nfs/dbraw/zinc/31/12/54/177311254.db2.gz LNLBJODJZWUGJB-XQHKEYJVSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CCC[C@@H](C)[NH2+]2)C1 ZINC000034689364 177312262 /nfs/dbraw/zinc/31/22/62/177312262.db2.gz LNLBJODJZWUGJB-YVECIDJPSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000133374507 177316204 /nfs/dbraw/zinc/31/62/04/177316204.db2.gz AICVPMAFWPKVIZ-MNOVXSKESA-N 1 0 232.327 2.016 10 0 BEAERO C[C@@H]1C[C@H](C)[NH2+]CCCN1C(=O)OC(C)(C)C ZINC000096987011 177318750 /nfs/dbraw/zinc/31/87/50/177318750.db2.gz SIUFTHGFIOZWAI-WDEREUQCSA-N 1 0 242.363 2.384 10 0 BEAERO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2)CC[N@@H+]1C ZINC000123690730 177325293 /nfs/dbraw/zinc/32/52/93/177325293.db2.gz FBTHMODTKCNMGZ-JSGCOSHPSA-N 1 0 246.354 2.241 10 0 BEAERO C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)C)CC[N@@H+]1C ZINC000123943425 177325526 /nfs/dbraw/zinc/32/55/26/177325526.db2.gz VCHGUWOUJUHHKI-RYUDHWBXSA-N 1 0 240.391 2.364 10 0 BEAERO C[C@H]1C[C@@H]([N@H+](C)CCOC(C)(C)C)CCN1C ZINC000123661505 177327333 /nfs/dbraw/zinc/32/73/33/177327333.db2.gz ZRDTXMRCKUHXIB-STQMWFEESA-N 1 0 242.407 2.216 10 0 BEAERO C[C@H]1C[C@@H](OC(=O)C(C)(C)[NH3+])CC(C)(C)C1 ZINC000040951796 177338272 /nfs/dbraw/zinc/33/82/72/177338272.db2.gz FWUUHWLEPDUNRY-VHSXEESVSA-N 1 0 227.348 2.482 10 0 BEAERO C[C@H]1C[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000075958453 177347799 /nfs/dbraw/zinc/34/77/99/177347799.db2.gz YBAZPPUSQPOERJ-GWCFXTLKSA-N 1 0 247.342 2.278 10 0 BEAERO C[C@H]1C[C@H](C(=O)N2CCCCCC2)CC[C@@H]1[NH3+] ZINC000055122657 177353431 /nfs/dbraw/zinc/35/34/31/177353431.db2.gz HGTWIIQKDNCVNK-XQQFMLRXSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019274127 177358141 /nfs/dbraw/zinc/35/81/41/177358141.db2.gz ZUZBGWZLYDNQII-OBJOEFQTSA-N 1 0 233.359 2.059 10 0 BEAERO C[C@H]1C[C@H](C)CN(C[C@@H]2CCCC[NH2+]2)C1 ZINC000019488638 177358489 /nfs/dbraw/zinc/35/84/89/177358489.db2.gz YPUSYEIGJPDTBG-AVGNSLFASA-N 1 0 210.365 2.106 10 0 BEAERO C[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)CCC[NH2+]1 ZINC000096987009 177359463 /nfs/dbraw/zinc/35/94/63/177359463.db2.gz SIUFTHGFIOZWAI-QWRGUYRKSA-N 1 0 242.363 2.384 10 0 BEAERO C[C@H]1C[C@H](OC(=O)C(C)(C)[NH3+])CC(C)(C)C1 ZINC000040951792 177374370 /nfs/dbraw/zinc/37/43/70/177374370.db2.gz FWUUHWLEPDUNRY-UWVGGRQHSA-N 1 0 227.348 2.482 10 0 BEAERO C[C@H]1C[C@H]1CN(C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111823822 177379550 /nfs/dbraw/zinc/37/95/50/177379550.db2.gz DVDXTUCUYIUGFK-JKOKRWQUSA-N 1 0 236.334 2.413 10 0 BEAERO C[C@H]1C[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000052272759 177386142 /nfs/dbraw/zinc/38/61/42/177386142.db2.gz RNOUNNWBIASXJT-NWANDNLSSA-N 1 0 230.355 2.259 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000052274757 177386368 /nfs/dbraw/zinc/38/63/68/177386368.db2.gz OAUUHIYPGBQYHF-GXSJLCMTSA-N 1 0 207.321 2.136 10 0 BEAERO C[C@](O)(C[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000032015122 177449769 /nfs/dbraw/zinc/44/97/69/177449769.db2.gz UQDJCHIIGAPZAE-LBPRGKRZSA-N 1 0 225.719 2.300 10 0 BEAERO C[C@]1(CO)CCCC[N@@H+]1CC1CC(F)(F)C1 ZINC000336268086 177463916 /nfs/dbraw/zinc/46/39/16/177463916.db2.gz SMNIDUDDDVZSTL-LLVKDONJSA-N 1 0 233.302 2.269 10 0 BEAERO Cc1c(C[NH2+]CCCC(C)(F)F)cnn1C ZINC000295573984 177590341 /nfs/dbraw/zinc/59/03/41/177590341.db2.gz AVPBQXPVNJYENO-UHFFFAOYSA-N 1 0 231.290 2.254 10 0 BEAERO Cc1c2c(ccc1Cl)[C@@H](C[NH3+])N(C)C2 ZINC000082702171 177597508 /nfs/dbraw/zinc/59/75/08/177597508.db2.gz JFLLFWFBQNXSRA-LLVKDONJSA-N 1 0 210.708 2.094 10 0 BEAERO O[C@@H]1CCC[C@H]1[NH+]1CCc2ccccc2CC1 ZINC000079574310 487642350 /nfs/dbraw/zinc/64/23/50/487642350.db2.gz WKYBDLCYAKXJIU-HUUCEWRRSA-N 1 0 231.339 2.001 10 0 BEAERO C[NH+](C)/C=C/c1ccncc1Br ZINC000498051116 226330430 /nfs/dbraw/zinc/33/04/30/226330430.db2.gz TVJKEAUSTLSWRY-GQCTYLIASA-N 1 0 227.105 2.376 10 0 BEAERO C[C@H](N[C@@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400443406 226343632 /nfs/dbraw/zinc/34/36/32/226343632.db2.gz OWJPPHQJXHGZSZ-IACUBPJLSA-N 1 0 246.354 2.240 10 0 BEAERO Cc1csc([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000400561883 226346232 /nfs/dbraw/zinc/34/62/32/226346232.db2.gz HYNXUHWOZDECCA-DCAQKATOSA-N 1 0 239.388 2.100 10 0 BEAERO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000400619282 226348052 /nfs/dbraw/zinc/34/80/52/226348052.db2.gz JEAMNIWRQNKVPL-SDDRHHMPSA-N 1 0 222.332 2.379 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@H]1CC[NH2+]C1 ZINC000400748854 226351006 /nfs/dbraw/zinc/35/10/06/226351006.db2.gz MJKVHNAHCGDSMW-GMXVVIOVSA-N 1 0 234.343 2.245 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1CC[NH2+]C1 ZINC000400748853 226351130 /nfs/dbraw/zinc/35/11/30/226351130.db2.gz MJKVHNAHCGDSMW-DMDPSCGWSA-N 1 0 234.343 2.245 10 0 BEAERO CCOc1ccccc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401571644 226359624 /nfs/dbraw/zinc/35/96/24/226359624.db2.gz FLYRIEMIXZZYBR-TZMCWYRMSA-N 1 0 249.354 2.288 10 0 BEAERO CCC[C@@H](C(=O)N1CCC[C@@H](C)CC1)[NH+](C)C ZINC000179700031 262712349 /nfs/dbraw/zinc/71/23/49/262712349.db2.gz GSQHHVOVLJWHCE-OLZOCXBDSA-N 1 0 240.391 2.365 10 0 BEAERO COCC[N@H+](CC(C)C)C[C@H]1CCC[C@@H](O)C1 ZINC000383663404 487658703 /nfs/dbraw/zinc/65/87/03/487658703.db2.gz JZKPANAGXHHOPZ-UONOGXRCSA-N 1 0 243.391 2.142 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000228489201 487661986 /nfs/dbraw/zinc/66/19/86/487661986.db2.gz VWLNHUCSNJGRKV-SDDRHHMPSA-N 1 0 226.364 2.007 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)Cc2cccs2)C1 ZINC000328367624 487670562 /nfs/dbraw/zinc/67/05/62/487670562.db2.gz RIIGIGGMUQYKGQ-VXGBXAGGSA-N 1 0 238.400 2.363 10 0 BEAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC[C@H](O)C1 ZINC000383923942 487680547 /nfs/dbraw/zinc/68/05/47/487680547.db2.gz RKJQZNPOIVSSAI-OCCSQVGLSA-N 1 0 234.343 2.065 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1Cl ZINC000054076397 487683517 /nfs/dbraw/zinc/68/35/17/487683517.db2.gz ABADRQMBLOWTKL-IUCAKERBSA-N 1 0 240.734 2.125 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CCC2)CC1 ZINC000308703097 487684248 /nfs/dbraw/zinc/68/42/48/487684248.db2.gz VKOLFCSKUNKSSN-NWDGAFQWSA-N 1 0 238.375 2.153 10 0 BEAERO CCN(CC[NH3+])c1ccc2ccccc2n1 ZINC000082591949 487686166 /nfs/dbraw/zinc/68/61/66/487686166.db2.gz YSMRETHEKBJRMF-UHFFFAOYSA-N 1 0 215.300 2.020 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324958935 262798222 /nfs/dbraw/zinc/79/82/22/262798222.db2.gz JJWZPGMDILWRRK-CQSZACIVSA-N 1 0 233.359 2.360 10 0 BEAERO CCC[C@H]([NH2+][C@@H]1CCCNC1=O)[C@@H]1CC1(C)C ZINC000397754615 262932253 /nfs/dbraw/zinc/93/22/53/262932253.db2.gz CQXUPZHNPNNOFB-SDDRHHMPSA-N 1 0 238.375 2.069 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000226284045 487706997 /nfs/dbraw/zinc/70/69/97/487706997.db2.gz HMUWCRUHWGMCJX-RRFJBIMHSA-N 1 0 231.339 2.389 10 0 BEAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290224 487708668 /nfs/dbraw/zinc/70/86/68/487708668.db2.gz CASQEVMTRSDYFV-QWHCGFSZSA-N 1 0 246.354 2.254 10 0 BEAERO CCCCN(CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290012 487708710 /nfs/dbraw/zinc/70/87/10/487708710.db2.gz FZOJUBNWASHBPB-LBPRGKRZSA-N 1 0 226.364 2.025 10 0 BEAERO C[C@@H](N(C)C(=O)C[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000054292052 487709180 /nfs/dbraw/zinc/70/91/80/487709180.db2.gz KVFKVVYTKREBSA-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000233378842 487713281 /nfs/dbraw/zinc/71/32/81/487713281.db2.gz ZLRAISBCGPSHIN-WCQYABFASA-N 1 0 247.342 2.455 10 0 BEAERO CC(C)[NH2+]CC(=O)N1CCC(C(C)(C)C)CC1 ZINC000050348683 487719911 /nfs/dbraw/zinc/71/99/11/487719911.db2.gz GTCJLSVRBBZNPS-UHFFFAOYSA-N 1 0 240.391 2.269 10 0 BEAERO C1[C@@H]2C[C@@H](c3nc([C@@H]4CCC[NH2+]4)no3)C[C@H]12 ZINC000251208497 487750033 /nfs/dbraw/zinc/75/00/33/487750033.db2.gz LBLXQAQYULCOCA-JXUBOQSCSA-N 1 0 219.288 2.008 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000399753678 487751982 /nfs/dbraw/zinc/75/19/82/487751982.db2.gz OUWSSDMTKFTCTO-CQSZACIVSA-N 1 0 240.391 2.413 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CC1=CCCCC1 ZINC000089091283 487761176 /nfs/dbraw/zinc/76/11/76/487761176.db2.gz SRHKUEQLTKXZDA-CHWSQXEVSA-N 1 0 236.359 2.121 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000251585107 487772134 /nfs/dbraw/zinc/77/21/34/487772134.db2.gz CMJJXNSORNDDOW-FRRDWIJNSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H](CCC(C)(C)C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000120848207 487775469 /nfs/dbraw/zinc/77/54/69/487775469.db2.gz HCFDDBBECQDJLQ-FZMZJTMJSA-N 1 0 240.391 2.460 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313249391 487799929 /nfs/dbraw/zinc/79/99/29/487799929.db2.gz AEWVQHATDZMKJH-ZIAGYGMSSA-N 1 0 241.375 2.086 10 0 BEAERO CC[C@H]1CN(c2ccc(Cl)cn2)CC[C@H]1[NH3+] ZINC000251842055 487801393 /nfs/dbraw/zinc/80/13/93/487801393.db2.gz QXXBSFZPUCWUAW-GXSJLCMTSA-N 1 0 239.750 2.299 10 0 BEAERO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089449418 487816370 /nfs/dbraw/zinc/81/63/70/487816370.db2.gz ZIRWPLYJXILNMT-YPMHNXCESA-N 1 0 238.375 2.153 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1F ZINC000089449571 487816437 /nfs/dbraw/zinc/81/64/37/487816437.db2.gz NTZHQVVAVNJAJB-VHSXEESVSA-N 1 0 236.290 2.139 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089449767 487816764 /nfs/dbraw/zinc/81/67/64/487816764.db2.gz PYTBRZXSBZKZMM-AAEUAGOBSA-N 1 0 232.327 2.309 10 0 BEAERO Cc1ccccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089449862 487816977 /nfs/dbraw/zinc/81/69/77/487816977.db2.gz XOQQDTXANQJAQK-NEPJUHHUSA-N 1 0 232.327 2.309 10 0 BEAERO CCN(C(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089449744 487816991 /nfs/dbraw/zinc/81/69/91/487816991.db2.gz UTXKPKDRYWPUET-JSGCOSHPSA-N 1 0 246.354 2.415 10 0 BEAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089448546 487818467 /nfs/dbraw/zinc/81/84/67/487818467.db2.gz IQVWAYVZUCDMQN-GWCFXTLKSA-N 1 0 248.326 2.009 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000089456252 487819770 /nfs/dbraw/zinc/81/97/70/487819770.db2.gz MBXSVDFLMNXZRO-TUAOUCFPSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462889 487823071 /nfs/dbraw/zinc/82/30/71/487823071.db2.gz PAPSMKOJMWBYFL-JHJVBQTASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000089461524 487824001 /nfs/dbraw/zinc/82/40/01/487824001.db2.gz OPTRKLJIUIELSI-FDYHWXHSSA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@@H]([NH3+])C(C)C ZINC000224189967 487825271 /nfs/dbraw/zinc/82/52/71/487825271.db2.gz JFZFSGPCQKZXIJ-IJLUTSLNSA-N 1 0 226.364 2.149 10 0 BEAERO CC(C)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089482561 487825842 /nfs/dbraw/zinc/82/58/42/487825842.db2.gz QOCGAGIEZKCYQP-UPJWGTAASA-N 1 0 238.375 2.008 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000252684529 487829740 /nfs/dbraw/zinc/82/97/40/487829740.db2.gz GLWJLLBAKLIOBD-FDYHWXHSSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000252725539 487831175 /nfs/dbraw/zinc/83/11/75/487831175.db2.gz NUCVPBDIFHYXFY-IJLUTSLNSA-N 1 0 226.364 2.007 10 0 BEAERO c1cnn(C2C[NH+](CC3CCCCC3)C2)c1 ZINC000371572391 487840461 /nfs/dbraw/zinc/84/04/61/487840461.db2.gz XSXINYQMJZVSPE-UHFFFAOYSA-N 1 0 219.332 2.320 10 0 BEAERO CCC1CCC(NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000089747221 487851712 /nfs/dbraw/zinc/85/17/12/487851712.db2.gz SCECVOYPDHWPNX-CPCZMJQVSA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)[C@@H](C)[NH2+]Cc1nc(Br)c[nH]1 ZINC000308136796 642406512 /nfs/dbraw/zinc/40/65/12/642406512.db2.gz OVCZLQACRIXCRH-SSDOTTSWSA-N 1 0 246.152 2.306 10 0 BEAERO C[C@@H]([NH3+])c1cnn(CC2CCCCC2)c1 ZINC000054716900 487883222 /nfs/dbraw/zinc/88/32/22/487883222.db2.gz HCKGTNUPDXSAPK-SNVBAGLBSA-N 1 0 207.321 2.483 10 0 BEAERO CC(C)(C)CC[NH2+][C@@H]1CCCn2ncnc21 ZINC000188082303 487890445 /nfs/dbraw/zinc/89/04/45/487890445.db2.gz RRTMWMBNBGCVFP-SNVBAGLBSA-N 1 0 222.336 2.139 10 0 BEAERO CCCC1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000227432115 487899653 /nfs/dbraw/zinc/89/96/53/487899653.db2.gz QIFVQDIFZPUJNA-NWDGAFQWSA-N 1 0 238.375 2.058 10 0 BEAERO CCCn1nccc1C[NH2+][C@H](C)C(C)C ZINC000164829405 487900565 /nfs/dbraw/zinc/90/05/65/487900565.db2.gz VLNZGXMCSPPVCQ-LLVKDONJSA-N 1 0 209.337 2.427 10 0 BEAERO Cc1nc(NC[C@@H]2CCCC[NH2+]2)sc1C ZINC000083533066 487918804 /nfs/dbraw/zinc/91/88/04/487918804.db2.gz HLSUWALTEQIGAH-JTQLQIEISA-N 1 0 225.361 2.314 10 0 BEAERO CCc1nsc(Oc2ccc(C[NH3+])cc2)n1 ZINC000083671938 487927240 /nfs/dbraw/zinc/92/72/40/487927240.db2.gz ZORUANIKSIEFBB-UHFFFAOYSA-N 1 0 235.312 2.352 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccsc1 ZINC000050344429 487944522 /nfs/dbraw/zinc/94/45/22/487944522.db2.gz PSVSZUITJZZSOU-PWSUYJOCSA-N 1 0 224.373 2.493 10 0 BEAERO Cc1cc2ccccc2nc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235423331 487954600 /nfs/dbraw/zinc/95/46/00/487954600.db2.gz VWCCHSSBQADHIX-YPMHNXCESA-N 1 0 241.338 2.327 10 0 BEAERO CCC[C@H](C(=O)N(CC)CC(C)C)[NH+](C)C ZINC000135787801 323030302 /nfs/dbraw/zinc/03/03/02/323030302.db2.gz UNGSNNPJUDUUJO-GFCCVEGCSA-N 1 0 228.380 2.221 10 0 BEAERO CC(C)CSCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562959591 323035296 /nfs/dbraw/zinc/03/52/96/323035296.db2.gz KUAHTPVJSGXZOO-QWHCGFSZSA-N 1 0 244.448 2.353 10 0 BEAERO [NH3+]CC[C@H](Nc1ccc(Cl)cn1)C(F)F ZINC000394829592 323085914 /nfs/dbraw/zinc/08/59/14/323085914.db2.gz ZAQZRRNIHQZLNE-ZETCQYMHSA-N 1 0 235.665 2.129 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229659408 323100715 /nfs/dbraw/zinc/10/07/15/323100715.db2.gz IZGAMVNVDIDSEF-UKRRQHHQSA-N 1 0 244.338 2.419 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)nc1C ZINC000313848046 323101094 /nfs/dbraw/zinc/10/10/94/323101094.db2.gz RRUSLHJIIOSMGB-ZIAGYGMSSA-N 1 0 234.343 2.092 10 0 BEAERO C[C@H](Nc1ccc2n[nH]cc2c1)[C@H]1CCC[NH2+]C1 ZINC000571178276 323137173 /nfs/dbraw/zinc/13/71/73/323137173.db2.gz RTSIENOICOWULB-QWRGUYRKSA-N 1 0 244.342 2.363 10 0 BEAERO CCC(C)(C)OCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000308693661 323176922 /nfs/dbraw/zinc/17/69/22/323176922.db2.gz NJVRTWNZCLFHIR-VXGBXAGGSA-N 1 0 229.364 2.085 10 0 BEAERO Cc1ccc([C@H](C)NC(=O)C2(C)C[NH2+]C2)c(C)c1 ZINC000399288452 323202761 /nfs/dbraw/zinc/20/27/61/323202761.db2.gz QUFHRRVGEQOMDD-LBPRGKRZSA-N 1 0 246.354 2.090 10 0 BEAERO C[C@H](C1CC1)[N@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC000042123190 323242591 /nfs/dbraw/zinc/24/25/91/323242591.db2.gz HUUMOIHMHPTBOW-SNVBAGLBSA-N 1 0 238.375 2.164 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)C1CCC1 ZINC000396687430 323652448 /nfs/dbraw/zinc/65/24/48/323652448.db2.gz YXPZYEATHKVIPP-KGYLQXTDSA-N 1 0 210.365 2.295 10 0 BEAERO COc1cccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396728748 323656290 /nfs/dbraw/zinc/65/62/90/323656290.db2.gz ZYCYYLCFKYSNOB-ZOWXZIJZSA-N 1 0 248.370 2.486 10 0 BEAERO O[C@@H]1CCC[C@H]1[NH+]1CCC(C(F)(F)F)CC1 ZINC000083890163 487960641 /nfs/dbraw/zinc/96/06/41/487960641.db2.gz KSAQYXHGNLOAIF-NXEZZACHSA-N 1 0 237.265 2.174 10 0 BEAERO Fc1ccc2cc([C@@H]3CC[NH2+]C3)[nH]c2c1 ZINC000082927877 323939650 /nfs/dbraw/zinc/93/96/50/323939650.db2.gz NCKCTUHFEYMIGH-SECBINFHSA-N 1 0 204.248 2.384 10 0 BEAERO CC[C@H]1C[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000238313578 323946582 /nfs/dbraw/zinc/94/65/82/323946582.db2.gz QOHJMMANTRSXCD-GWCFXTLKSA-N 1 0 205.301 2.408 10 0 BEAERO Oc1cccc([C@H]2C[NH2+]CC23CCC3)c1 ZINC000536951798 323957513 /nfs/dbraw/zinc/95/75/13/323957513.db2.gz WWTJZHIBWJYUMO-GFCCVEGCSA-N 1 0 203.285 2.249 10 0 BEAERO [NH3+]C[C@@H](c1ccc(F)cc1)C1(CO)CCCC1 ZINC000536954572 323963582 /nfs/dbraw/zinc/96/35/82/323963582.db2.gz QKYIYFNQIGRSMH-ZDUSSCGKSA-N 1 0 237.318 2.421 10 0 BEAERO CC(C)N(c1nc2c(s1)C[NH2+]CC2)C(C)C ZINC000536958786 323970457 /nfs/dbraw/zinc/97/04/57/323970457.db2.gz IEZNQJMCOLJDFG-UHFFFAOYSA-N 1 0 239.388 2.412 10 0 BEAERO C[C@@H]1CCCN(c2nc3c(s2)C[NH2+]CC3)C1 ZINC000536961283 323974908 /nfs/dbraw/zinc/97/49/08/323974908.db2.gz YSOYRIDUERLSBZ-SECBINFHSA-N 1 0 237.372 2.025 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)C1(C)CC1 ZINC000122802007 324058659 /nfs/dbraw/zinc/05/86/59/324058659.db2.gz BFJVONPXPVDOGQ-WOPDTQHZSA-N 1 0 222.376 2.390 10 0 BEAERO C[NH+](C)CC1CCC(NC(=O)C2CCC2)CC1 ZINC000130254601 325030202 /nfs/dbraw/zinc/03/02/02/325030202.db2.gz SSABYBKZHVWSGP-UHFFFAOYSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccoc1 ZINC000130982971 325106033 /nfs/dbraw/zinc/10/60/33/325106033.db2.gz CKWRXXPGSNFDCG-LLVKDONJSA-N 1 0 223.316 2.483 10 0 BEAERO COC[C@@H](C)CNc1ccc(C[NH+](C)C)cc1 ZINC000131850520 325187514 /nfs/dbraw/zinc/18/75/14/325187514.db2.gz RQSKTBBFBBVAPS-LBPRGKRZSA-N 1 0 236.359 2.443 10 0 BEAERO CCC[C@@H](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000132579535 325226227 /nfs/dbraw/zinc/22/62/27/325226227.db2.gz SMLOAMJNKFTSIR-GFCCVEGCSA-N 1 0 240.391 2.365 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC(O)C1 ZINC000235290448 325257631 /nfs/dbraw/zinc/25/76/31/325257631.db2.gz FIWKEODOPKQLSL-YYJSSNLHSA-N 1 0 211.349 2.172 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH+]1CCc2ccccc2CC1 ZINC000079574319 325459606 /nfs/dbraw/zinc/45/96/06/325459606.db2.gz MHIGNHZYBBQYNK-HOTGVXAUSA-N 1 0 245.366 2.391 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548999467 325494463 /nfs/dbraw/zinc/49/44/63/325494463.db2.gz ZCOGODNEZLADTD-JZRPKSSGSA-N 1 0 238.375 2.068 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000084445890 325582936 /nfs/dbraw/zinc/58/29/36/325582936.db2.gz SYERPOALUJFSNZ-UHFFFAOYSA-N 1 0 225.719 2.201 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000252716357 325692576 /nfs/dbraw/zinc/69/25/76/325692576.db2.gz YGEIZISVEKTMMO-NDBYEHHHSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]2CO)c(C)c1 ZINC000309927696 326175422 /nfs/dbraw/zinc/17/54/22/326175422.db2.gz WDRREBOTFUWTHY-GXTWGEPZSA-N 1 0 219.328 2.082 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1ncc(Cl)cc1F ZINC000165725920 326426121 /nfs/dbraw/zinc/42/61/21/326426121.db2.gz UIZMVSHXBQAJRC-NKWVEPMBSA-N 1 0 231.702 2.412 10 0 BEAERO CC(C)[C@H](NC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000083957783 487972733 /nfs/dbraw/zinc/97/27/33/487972733.db2.gz ZHERTTVFBXWCOX-BPCQOVAHSA-N 1 0 238.375 2.055 10 0 BEAERO C[C@@H]1CCCCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134569838 487986717 /nfs/dbraw/zinc/98/67/17/487986717.db2.gz JLORRAGHCALHBX-OLZOCXBDSA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)C[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000307849415 487997968 /nfs/dbraw/zinc/99/79/68/487997968.db2.gz XQCWBHTYWXUVBC-JHJVBQTASA-N 1 0 211.349 2.268 10 0 BEAERO C[C@H]1CN(Cc2ccnc3ccccc23)C[C@@H]1[NH3+] ZINC000235717438 488009360 /nfs/dbraw/zinc/00/93/60/488009360.db2.gz BJVHNMQVPDOMAZ-FZMZJTMJSA-N 1 0 241.338 2.014 10 0 BEAERO C[C@H]1CN(Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000235716672 488010129 /nfs/dbraw/zinc/01/01/29/488010129.db2.gz AAAOWOQWINYTIO-NHYWBVRUSA-N 1 0 230.355 2.343 10 0 BEAERO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000090940878 488013385 /nfs/dbraw/zinc/01/33/85/488013385.db2.gz TXHXLTMLZFNOMP-NQMVMOMDSA-N 1 0 226.345 2.280 10 0 BEAERO C[N@@H+](Cc1ccccn1)C[C@H]1CCC[C@@H](O)C1 ZINC000310463901 488028734 /nfs/dbraw/zinc/02/87/34/488028734.db2.gz YTMUTYRLVPSWKC-GXTWGEPZSA-N 1 0 234.343 2.065 10 0 BEAERO [NH3+][C@@H](CNc1nccc2ccccc21)C1CC1 ZINC000135376449 488033998 /nfs/dbraw/zinc/03/39/98/488033998.db2.gz ILYHKIYPGIZJHJ-ZDUSSCGKSA-N 1 0 227.311 2.384 10 0 BEAERO CC(C)c1nsc(N[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084212834 488037507 /nfs/dbraw/zinc/03/75/07/488037507.db2.gz DCTARCQCFGUFAV-BDAKNGLRSA-N 1 0 240.376 2.201 10 0 BEAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000084308435 488042212 /nfs/dbraw/zinc/04/22/12/488042212.db2.gz HKGLKKYCQSVKGV-ZYHUDNBSSA-N 1 0 218.300 2.000 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+]C)cc1 ZINC000052395685 488055284 /nfs/dbraw/zinc/05/52/84/488055284.db2.gz XPFXLFUUKITHGT-QWRGUYRKSA-N 1 0 234.343 2.034 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(F)c1F ZINC000136413271 488101460 /nfs/dbraw/zinc/10/14/60/488101460.db2.gz AXWHLVXVVWWXOY-SECBINFHSA-N 1 0 242.269 2.277 10 0 BEAERO Cc1cccc(CN(C)C(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136387457 488101558 /nfs/dbraw/zinc/10/15/58/488101558.db2.gz KESPHIOXTDMIQD-AWEZNQCLSA-N 1 0 248.370 2.327 10 0 BEAERO CCC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000389610902 488103111 /nfs/dbraw/zinc/10/31/11/488103111.db2.gz AZMYFQVIBPSVBG-AAEUAGOBSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C1CCCCC1 ZINC000136451539 488103198 /nfs/dbraw/zinc/10/31/98/488103198.db2.gz RGYVHQSKLFOWPB-AAEUAGOBSA-N 1 0 240.391 2.445 10 0 BEAERO Cc1cc(NC(=O)C[C@H]([NH3+])C(C)C)ccc1F ZINC000136453847 488103549 /nfs/dbraw/zinc/10/35/49/488103549.db2.gz HMXNFXWXZHJJEJ-LBPRGKRZSA-N 1 0 238.306 2.446 10 0 BEAERO CCC1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000092956170 488104927 /nfs/dbraw/zinc/10/49/27/488104927.db2.gz VTKGCZHGDOQVPA-XVSSEFHLSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000092956543 488105138 /nfs/dbraw/zinc/10/51/38/488105138.db2.gz HABZZHHHACLWQR-XBFCOCLRSA-N 1 0 246.354 2.252 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCCC1(C)C ZINC000136487924 488105758 /nfs/dbraw/zinc/10/57/58/488105758.db2.gz HIOOGSQKWINQRR-RYUDHWBXSA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000084856337 488107806 /nfs/dbraw/zinc/10/78/06/488107806.db2.gz MMHKYZBWIPGDBI-BBBLOLIVSA-N 1 0 238.356 2.053 10 0 BEAERO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000389732337 488109744 /nfs/dbraw/zinc/10/97/44/488109744.db2.gz STVDOKMFVAJMDO-NQBHXWOUSA-N 1 0 211.349 2.268 10 0 BEAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000324125505 487536603 /nfs/dbraw/zinc/53/66/03/487536603.db2.gz OJURPCKGNSIYFX-XQQFMLRXSA-N 1 0 238.375 2.055 10 0 BEAERO CN(CCC(C)(C)C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000399753677 487542254 /nfs/dbraw/zinc/54/22/54/487542254.db2.gz OUWSSDMTKFTCTO-AWEZNQCLSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1cc(C)c(O)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000094574598 487547043 /nfs/dbraw/zinc/54/70/43/487547043.db2.gz GPKAFNRXUISONA-MNOVXSKESA-N 1 0 248.326 2.075 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c(C)n1 ZINC000094665927 487549946 /nfs/dbraw/zinc/54/99/46/487549946.db2.gz QMUMBJXIIRCXGU-RYUDHWBXSA-N 1 0 247.342 2.012 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c(C)n1 ZINC000094665925 487550098 /nfs/dbraw/zinc/55/00/98/487550098.db2.gz QMUMBJXIIRCXGU-NEPJUHHUSA-N 1 0 247.342 2.012 10 0 BEAERO CC(C)CC[NH+]1CCN(CCCF)CC1 ZINC000121358686 490083435 /nfs/dbraw/zinc/08/34/35/490083435.db2.gz RBKSTBADNZWCHD-UHFFFAOYSA-N 1 0 216.344 2.010 10 0 BEAERO C[C@H](CCCCO)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000684963521 487475833 /nfs/dbraw/zinc/47/58/33/487475833.db2.gz SFSQLUUVDIOQIO-YIYPIFLZSA-N 1 0 243.391 2.331 10 0 BEAERO C[C@H](CCCCO)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000684963518 487475992 /nfs/dbraw/zinc/47/59/92/487475992.db2.gz SFSQLUUVDIOQIO-AGIUHOORSA-N 1 0 243.391 2.331 10 0 BEAERO CO[C@]1(C)CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000380036189 488168303 /nfs/dbraw/zinc/16/83/03/488168303.db2.gz HVHWZVMAOUAQNF-MELADBBJSA-N 1 0 241.375 2.038 10 0 BEAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000310527480 487743019 /nfs/dbraw/zinc/74/30/19/487743019.db2.gz PCOXFJCFORRWMG-SYQHCUMBSA-N 1 0 241.375 2.037 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000229602405 487930461 /nfs/dbraw/zinc/93/04/61/487930461.db2.gz STTGRULAUVENMC-RYUDHWBXSA-N 1 0 248.374 2.461 10 0 BEAERO [NH3+]Cc1cccc(NC(=O)CC(F)(F)F)c1 ZINC000021964060 488153038 /nfs/dbraw/zinc/15/30/38/488153038.db2.gz UNHHNXVUWYFRLD-UHFFFAOYSA-N 1 0 232.205 2.036 10 0 BEAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000054073535 488205524 /nfs/dbraw/zinc/20/55/24/488205524.db2.gz YNNZCHADZHXWMJ-BQBZGAKWSA-N 1 0 246.763 2.187 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)CC2([NH3+])CC2)cc1 ZINC000398125804 488212189 /nfs/dbraw/zinc/21/21/89/488212189.db2.gz STFVBGMGFQODIE-LLVKDONJSA-N 1 0 246.354 2.308 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]2C1 ZINC000398758443 488223752 /nfs/dbraw/zinc/22/37/52/488223752.db2.gz GRIOEMOWMCRRAY-DMDPSCGWSA-N 1 0 209.333 2.022 10 0 BEAERO CC[C@@H]1C[C@H](C)CN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000399287321 488228517 /nfs/dbraw/zinc/22/85/17/488228517.db2.gz WATMRYUVNWYMOA-RWMBFGLXSA-N 1 0 238.375 2.023 10 0 BEAERO C[N@H+](C[C@@H](O)C1CC1)C[C@@H]1Cc2ccccc21 ZINC000672545233 488258796 /nfs/dbraw/zinc/25/87/96/488258796.db2.gz CRZKUBCOVORNFP-DZGCQCFKSA-N 1 0 231.339 2.029 10 0 BEAERO C[N@H+](C[C@H](O)C1CC1)C[C@H]1Cc2ccccc21 ZINC000672545234 488259096 /nfs/dbraw/zinc/25/90/96/488259096.db2.gz CRZKUBCOVORNFP-HIFRSBDPSA-N 1 0 231.339 2.029 10 0 BEAERO CN1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000129296447 490058799 /nfs/dbraw/zinc/05/87/99/490058799.db2.gz NALQMLJHVRARCP-DZGCQCFKSA-N 1 0 248.345 2.497 10 0 BEAERO C[N@H+](CCCc1ccccc1)[C@@H]1CCC[C@@H]1O ZINC000352659673 490099091 /nfs/dbraw/zinc/09/90/91/490099091.db2.gz KKUKZGBUUAUNDJ-CABCVRRESA-N 1 0 233.355 2.464 10 0 BEAERO Cc1ccc(CN(C)[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000037169552 490120936 /nfs/dbraw/zinc/12/09/36/490120936.db2.gz WGALAILTMBYCPU-NSHDSACASA-N 1 0 246.276 2.316 10 0 BEAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)CC(C)(C)C1 ZINC000079929036 490128158 /nfs/dbraw/zinc/12/81/58/490128158.db2.gz ZKMBYTQHEINJPA-SDDRHHMPSA-N 1 0 238.375 2.069 10 0 BEAERO CCC1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000227427578 490169157 /nfs/dbraw/zinc/16/91/57/490169157.db2.gz OLTHGJRCNNDLHG-RYUDHWBXSA-N 1 0 238.375 2.058 10 0 BEAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2cncnc2)C1(C)C ZINC000129949044 490183672 /nfs/dbraw/zinc/18/36/72/490183672.db2.gz XMKLHAIQMQRHAH-STQMWFEESA-N 1 0 249.358 2.112 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000227154899 490241534 /nfs/dbraw/zinc/24/15/34/490241534.db2.gz WLIZHOTUOYASEO-RNJOBUHISA-N 1 0 238.375 2.022 10 0 BEAERO Cc1c(-c2ccc3c(c2)CC[C@@H]3[NH3+])cnn1C ZINC000235975372 490253837 /nfs/dbraw/zinc/25/38/37/490253837.db2.gz MMMCSGFRTQIFBW-AWEZNQCLSA-N 1 0 227.311 2.342 10 0 BEAERO CC(C)C[C@H]1CC[N@H+](Cc2cncnc2)C1 ZINC000124781937 490403118 /nfs/dbraw/zinc/40/31/18/490403118.db2.gz GQNIOFUENQTYAD-GFCCVEGCSA-N 1 0 219.332 2.345 10 0 BEAERO c1ncc(C[NH+](CC2CC2)CC2CC2)cn1 ZINC000127608932 490550900 /nfs/dbraw/zinc/55/09/00/490550900.db2.gz OCQMVWKUSAZRQL-UHFFFAOYSA-N 1 0 217.316 2.099 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cncc(F)c1 ZINC000300412253 490560311 /nfs/dbraw/zinc/56/03/11/490560311.db2.gz SKILEEPJFKPODK-XDTLVQLUSA-N 1 0 238.306 2.175 10 0 BEAERO CN1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2O ZINC000300409556 490560325 /nfs/dbraw/zinc/56/03/25/490560325.db2.gz GUIJFNHRAFCODD-RISCZKNCSA-N 1 0 246.354 2.063 10 0 BEAERO C[C@H]1CCC[C@H](C)[N@H+](Cc2cncnc2)C1 ZINC000128188950 490575070 /nfs/dbraw/zinc/57/50/70/490575070.db2.gz APGWNHIOGYGCNL-RYUDHWBXSA-N 1 0 219.332 2.487 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C ZINC000251764413 491080136 /nfs/dbraw/zinc/08/01/36/491080136.db2.gz DTVCJQOYAAFIJF-LPWJVIDDSA-N 1 0 240.391 2.301 10 0 BEAERO COc1ccc2c(c1)[C@H]1C[C@H](C[N@H+]1C)C2 ZINC000584615478 491069948 /nfs/dbraw/zinc/06/99/48/491069948.db2.gz JRHIXYSFAGAWCF-NOZJJQNGSA-N 1 0 203.285 2.244 10 0 BEAERO OCC1(C[NH2+]Cc2cccc3cnccc32)CC1 ZINC000122325223 491112024 /nfs/dbraw/zinc/11/20/24/491112024.db2.gz ZBMBJNDGJKIWCV-UHFFFAOYSA-N 1 0 242.322 2.097 10 0 BEAERO C[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC1CC1 ZINC000123910770 491121141 /nfs/dbraw/zinc/12/11/41/491121141.db2.gz ZSYGPKPZGFCUES-UHFFFAOYSA-N 1 0 230.355 2.174 10 0 BEAERO OCC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090981447 491130289 /nfs/dbraw/zinc/13/02/89/491130289.db2.gz DKLVWUZEGOAMKC-HIFRSBDPSA-N 1 0 245.366 2.421 10 0 BEAERO c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]C2CC2)cc1 ZINC000307653503 491134127 /nfs/dbraw/zinc/13/41/27/491134127.db2.gz LINHOEYITJZCRO-MZBDJJRSSA-N 1 0 242.366 2.259 10 0 BEAERO CCCC[C@H](COC)[NH2+]CC[C@@H]1CCCO1 ZINC000131976553 491134415 /nfs/dbraw/zinc/13/44/15/491134415.db2.gz HXVPLFMJDVBPTB-OLZOCXBDSA-N 1 0 229.364 2.350 10 0 BEAERO C[C@@H](N1CCCC12CC[NH2+]CC2)C(F)(F)F ZINC000757130934 582504661 /nfs/dbraw/zinc/50/46/61/582504661.db2.gz OQZCQLKHTDNOFQ-SECBINFHSA-N 1 0 236.281 2.155 10 0 BEAERO CC[C@@H]1CC[NH2+]C2(CC(CF)(CF)C2)O1 ZINC000757138343 582517418 /nfs/dbraw/zinc/51/74/18/582517418.db2.gz BUIFEYBHURVOHP-SECBINFHSA-N 1 0 219.275 2.190 10 0 BEAERO CC1(C)C[NH2+]C2(CCCCC2)O[C@@]12CCOC2 ZINC000757138938 582518272 /nfs/dbraw/zinc/51/82/72/582518272.db2.gz FDYZKCWLIRJKBQ-CYBMUJFWSA-N 1 0 239.359 2.452 10 0 BEAERO C[C@@H](c1nc([C@H]2CC2(C)C)no1)[C@H](C)[NH3+] ZINC000300343179 582518344 /nfs/dbraw/zinc/51/83/44/582518344.db2.gz ASGLLDPBPOOELG-GJMOJQLCSA-N 1 0 209.293 2.034 10 0 BEAERO CC1(C)C[NH2+][C@@]2(CCSC2)OC1(C)C ZINC000757140040 582520442 /nfs/dbraw/zinc/52/04/42/582520442.db2.gz IFQNFBWFSQCLAA-NSHDSACASA-N 1 0 215.362 2.244 10 0 BEAERO C1CC[C@@H]2COC3(CCSCC3)[NH2+][C@@H]2C1 ZINC000757146796 582530145 /nfs/dbraw/zinc/53/01/45/582530145.db2.gz RLWOXQLOSWVSIO-GHMZBOCLSA-N 1 0 227.373 2.388 10 0 BEAERO CCC1(CC)OC2(CC[NH2+]CC2)NCC1(C)C ZINC000757147662 582531537 /nfs/dbraw/zinc/53/15/37/582531537.db2.gz SNZDSAHRAUMOFE-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO CCC1(CC)O[C@@]2(CCN(C)C2)[NH2+]CC1(C)C ZINC000757151141 582535250 /nfs/dbraw/zinc/53/52/50/582535250.db2.gz YYPBHYNUPXJCEP-CQSZACIVSA-N 1 0 240.391 2.223 10 0 BEAERO Cc1cc(C[S@@](=O)[C@H](C)C[NH3+])ccc1Cl ZINC000757155476 582539746 /nfs/dbraw/zinc/53/97/46/582539746.db2.gz CZZVWYKXCUCPNJ-RFAUZJTJSA-N 1 0 245.775 2.244 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+][C@@]2(CCSC2)OC1 ZINC000757153831 582538891 /nfs/dbraw/zinc/53/88/91/582538891.db2.gz XWRRCTZSSGLIGK-ONGXEEELSA-N 1 0 215.362 2.102 10 0 BEAERO COCC[NH2+]CCSCc1ccc(Cl)o1 ZINC000757169812 582550319 /nfs/dbraw/zinc/55/03/19/582550319.db2.gz MJXCYWRRPKYHPM-UHFFFAOYSA-N 1 0 249.763 2.402 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000488346295 533721081 /nfs/dbraw/zinc/72/10/81/533721081.db2.gz IZPAGJXUKZAYJD-SYQHCUMBSA-N 1 0 223.360 2.269 10 0 BEAERO C[C@H](NCc1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000400357280 533918699 /nfs/dbraw/zinc/91/86/99/533918699.db2.gz OUUFWOHNMJFTQP-VHSXEESVSA-N 1 0 240.297 2.052 10 0 BEAERO [NH3+][C@@H](Cc1ccsc1)[C@@H]1CCCOC1 ZINC000062236885 518197625 /nfs/dbraw/zinc/19/76/25/518197625.db2.gz OJXUXOFCGSELQJ-MNOVXSKESA-N 1 0 211.330 2.045 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccsc2)no1 ZINC000071001503 519817833 /nfs/dbraw/zinc/81/78/33/519817833.db2.gz ZPFMAASHAXEPNS-SECBINFHSA-N 1 0 237.328 2.324 10 0 BEAERO CCCCCn1cc(SCC[NH3+])cn1 ZINC000095095589 520332420 /nfs/dbraw/zinc/33/24/20/520332420.db2.gz WMTXQVMFZKGQJC-UHFFFAOYSA-N 1 0 213.350 2.124 10 0 BEAERO CCOC(=O)C[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000252474674 520897303 /nfs/dbraw/zinc/89/73/03/520897303.db2.gz JUDXOJUKZVXYSC-MNOVXSKESA-N 1 0 213.321 2.060 10 0 BEAERO CCC[C@H]([NH3+])c1noc(C(F)(F)Cl)n1 ZINC000095532814 521122055 /nfs/dbraw/zinc/12/20/55/521122055.db2.gz BZQUUPMIBGWJCU-BYPYZUCNSA-N 1 0 225.626 2.158 10 0 BEAERO CC(C)(C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259125632 534564932 /nfs/dbraw/zinc/56/49/32/534564932.db2.gz ULTUWIIOARRNPX-SNVBAGLBSA-N 1 0 226.364 2.008 10 0 BEAERO C[NH+](C)[C@@H](CO)c1ccc(Cl)c(F)c1 ZINC000095532642 522034077 /nfs/dbraw/zinc/03/40/77/522034077.db2.gz MYQUDYWMZDVYEL-JTQLQIEISA-N 1 0 217.671 2.074 10 0 BEAERO Cc1cccc(C[N@H+]2CC[C@@H]3C[C@@H](C)O[C@@H]3C2)n1 ZINC000503718564 534711490 /nfs/dbraw/zinc/71/14/90/534711490.db2.gz GDUVXQZJDDWPBZ-UMVBOHGHSA-N 1 0 246.354 2.389 10 0 BEAERO C[NH2+][C@@H]1CCN(c2ccccc2COC)[C@H](C)C1 ZINC000049713803 536378281 /nfs/dbraw/zinc/37/82/81/536378281.db2.gz XXHKGABVSVYIJD-TZMCWYRMSA-N 1 0 248.370 2.410 10 0 BEAERO Cc1cccc(-c2noc(NCC[NH+](C)C)n2)c1 ZINC000057354062 524133414 /nfs/dbraw/zinc/13/34/14/524133414.db2.gz NKKBEQJBHSYZSP-UHFFFAOYSA-N 1 0 246.314 2.019 10 0 BEAERO C[C@@H]1CCN(Cc2ccccc2)[C@@H](C)[C@H]1[NH3+] ZINC000238860550 524513721 /nfs/dbraw/zinc/51/37/21/524513721.db2.gz ZWBZAXCNTIOTLB-DYEKYZERSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C ZINC000306273988 524593853 /nfs/dbraw/zinc/59/38/53/524593853.db2.gz JRWSHTPBPKDBAQ-MXWKQRLJSA-N 1 0 242.363 2.288 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH+](C)C ZINC000242543455 525008213 /nfs/dbraw/zinc/00/82/13/525008213.db2.gz KAKCSWWQYPXOFQ-UKRRQHHQSA-N 1 0 232.371 2.459 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])[C@@H](C)[C@H](C)CN1Cc1ccccc1 ZINC000238854021 525663573 /nfs/dbraw/zinc/66/35/73/525663573.db2.gz MCYADVOUXKSBRH-COMQUAJESA-N 1 0 232.371 2.490 10 0 BEAERO C[C@@H]1CC(CNC(=O)OC(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000306378433 526227922 /nfs/dbraw/zinc/22/79/22/526227922.db2.gz GJFLAZAAQXIUNF-NXEZZACHSA-N 1 0 242.363 2.288 10 0 BEAERO c1ccc(COCCCC2CC[NH2+]CC2)nc1 ZINC000095092571 526473517 /nfs/dbraw/zinc/47/35/17/526473517.db2.gz OIPUKOMWBDUWPZ-UHFFFAOYSA-N 1 0 234.343 2.378 10 0 BEAERO CC(=O)Nc1cccc(N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400562578 527071373 /nfs/dbraw/zinc/07/13/73/527071373.db2.gz IDHFWOQJLNVKIA-JQWIXIFHSA-N 1 0 247.342 2.055 10 0 BEAERO C([NH2+][C@H]1CCC12CCCC2)[C@@H]1[C@H]2COC[C@H]21 ZINC000367682264 527490628 /nfs/dbraw/zinc/49/06/28/527490628.db2.gz ARMNWKWLLCKHIR-RVMXOQNASA-N 1 0 221.344 2.191 10 0 BEAERO Cc1nn(C(C)(C)C)cc1C[NH2+]C(C)C ZINC000057354258 527581175 /nfs/dbraw/zinc/58/11/75/527581175.db2.gz NFXHBWOQSLOCFP-UHFFFAOYSA-N 1 0 209.337 2.445 10 0 BEAERO CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1 ZINC000401600015 528436057 /nfs/dbraw/zinc/43/60/57/528436057.db2.gz ZCQUQDYADNZWHL-OCCSQVGLSA-N 1 0 249.354 2.288 10 0 BEAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000300292794 528618413 /nfs/dbraw/zinc/61/84/13/528618413.db2.gz DXKXUENIYBMKEA-KBPBESRZSA-N 1 0 243.391 2.142 10 0 BEAERO CC(C)[C@H](C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262584063 534928322 /nfs/dbraw/zinc/92/83/22/534928322.db2.gz MSAZECPHEMZJTH-LLVKDONJSA-N 1 0 228.380 2.112 10 0 BEAERO CCCCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185124324 534977328 /nfs/dbraw/zinc/97/73/28/534977328.db2.gz GLQJLXUXIRSFMA-XQQFMLRXSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000262593434 535050215 /nfs/dbraw/zinc/05/02/15/535050215.db2.gz VREHTBHPBFBHMP-NEPJUHHUSA-N 1 0 238.375 2.008 10 0 BEAERO CCCNC(=O)CC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000070762289 535050378 /nfs/dbraw/zinc/05/03/78/535050378.db2.gz GBQMZZRQFNWZIP-NEPJUHHUSA-N 1 0 226.364 2.071 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(Cl)o1 ZINC000164026743 535066466 /nfs/dbraw/zinc/06/64/66/535066466.db2.gz WAZMHYLTZFRZMR-VIFPVBQESA-N 1 0 231.723 2.430 10 0 BEAERO CC1(C)[C@H]([NH2+]CCc2ccco2)[C@H]2CCO[C@@H]21 ZINC000085631517 535071424 /nfs/dbraw/zinc/07/14/24/535071424.db2.gz XRKYGLHRWKHJPG-UPJWGTAASA-N 1 0 235.327 2.225 10 0 BEAERO CCCN(C(=O)C[C@@H](C)C(C)C)[C@H]1CC[NH2+]C1 ZINC000178935182 535207229 /nfs/dbraw/zinc/20/72/29/535207229.db2.gz HDZVBSRUMZVRJA-OLZOCXBDSA-N 1 0 240.391 2.269 10 0 BEAERO CCC(C)(C)[NH2+]Cc1ccc(OCCO)cc1 ZINC000013725206 535360631 /nfs/dbraw/zinc/36/06/31/535360631.db2.gz WVWYQINQERQVCY-UHFFFAOYSA-N 1 0 237.343 2.336 10 0 BEAERO CCOc1cccc(N2CCC([NH2+]C)CC2)c1 ZINC000049568553 535467389 /nfs/dbraw/zinc/46/73/89/535467389.db2.gz YEQUXRIMQFOKIZ-UHFFFAOYSA-N 1 0 234.343 2.274 10 0 BEAERO CC[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000051436136 535478243 /nfs/dbraw/zinc/47/82/43/535478243.db2.gz WMMKKJYPHCHTEN-UHFFFAOYSA-N 1 0 219.332 2.181 10 0 BEAERO CCOCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220883168 535550032 /nfs/dbraw/zinc/55/00/32/535550032.db2.gz BGOYOGMXORZZEP-JTQLQIEISA-N 1 0 212.293 2.060 10 0 BEAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000227199512 535573977 /nfs/dbraw/zinc/57/39/77/535573977.db2.gz CGMWDRFFZXOCHO-UPJWGTAASA-N 1 0 240.391 2.460 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC1CCC1 ZINC000177010656 535585094 /nfs/dbraw/zinc/58/50/94/535585094.db2.gz JGISCTTWFTUARF-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO CCO[C@H]1CCCN(c2ccccc2C[NH2+]C)C1 ZINC000042424217 535621613 /nfs/dbraw/zinc/62/16/13/535621613.db2.gz GJWHBLTUCKRAAM-AWEZNQCLSA-N 1 0 248.370 2.411 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1cccc(C)c1C ZINC000016945109 535825321 /nfs/dbraw/zinc/82/53/21/535825321.db2.gz ZQWZDWRMDJAQJU-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1ccccc1C ZINC000016945018 535825368 /nfs/dbraw/zinc/82/53/68/535825368.db2.gz NUPSGWHFCILDJS-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO CCc1cccc(N2CC[NH2+]C[C@@H]2C)c1 ZINC000016944936 535892564 /nfs/dbraw/zinc/89/25/64/535892564.db2.gz JEPKVRMUHUTYRY-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO CCc1ccc(N2CC[NH2+]C[C@@H]2C)cc1 ZINC000016944942 536184870 /nfs/dbraw/zinc/18/48/70/536184870.db2.gz GPLHXSQLGHQGQX-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO C[NH2+][C@H](C)c1ccccc1N1CCOC[C@@H]1C ZINC000035776716 536406662 /nfs/dbraw/zinc/40/66/62/536406662.db2.gz XBGPTTDPSXOVGH-NWDGAFQWSA-N 1 0 234.343 2.192 10 0 BEAERO C[NH2+][C@H](C)c1ccccc1N1CCOC[C@H]1C ZINC000035776713 536406665 /nfs/dbraw/zinc/40/66/65/536406665.db2.gz XBGPTTDPSXOVGH-VXGBXAGGSA-N 1 0 234.343 2.192 10 0 BEAERO C[N@H+](C[C@H]1CCCC(F)(F)C1)[C@H](CN)C1CC1 ZINC000261538143 536444004 /nfs/dbraw/zinc/44/40/04/536444004.db2.gz IRSJDDXFEIPUBV-CMPLNLGQSA-N 1 0 246.345 2.481 10 0 BEAERO CO[C@@H]1COC[C@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000336188773 536757710 /nfs/dbraw/zinc/75/77/10/536757710.db2.gz ALGVPAIDXYGIMC-CHWSQXEVSA-N 1 0 239.359 2.056 10 0 BEAERO CCCC[C@H](C)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000380211920 566341248 /nfs/dbraw/zinc/34/12/48/566341248.db2.gz ZJUGKILWNOMTLP-FRRDWIJNSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H]1CNCC[N@@H+]1[C@H]1CCCC(C)(C)C1 ZINC000251842738 566434891 /nfs/dbraw/zinc/43/48/91/566434891.db2.gz QQESJMNFQLXOOG-NEPJUHHUSA-N 1 0 210.365 2.249 10 0 BEAERO O[C@@H](C[NH2+]C[C@@H]1CCCc2ccccc21)C1CC1 ZINC000111342702 588744345 /nfs/dbraw/zinc/74/43/45/588744345.db2.gz FAWGQVGCDJOCBW-HOCLYGCPSA-N 1 0 245.366 2.467 10 0 BEAERO CCCC[NH2+]Cc1nccn1CC(F)(F)F ZINC000113311581 588831211 /nfs/dbraw/zinc/83/12/11/588831211.db2.gz IGEAIGMTWYQMRB-UHFFFAOYSA-N 1 0 235.253 2.335 10 0 BEAERO COc1ccc(C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000757128590 582502961 /nfs/dbraw/zinc/50/29/61/582502961.db2.gz RAVMDWMKIIYTST-ZYHUDNBSSA-N 1 0 205.301 2.093 10 0 BEAERO CCCC[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757129424 582503924 /nfs/dbraw/zinc/50/39/24/582503924.db2.gz LNMPZGXVOHDALU-AWEZNQCLSA-N 1 0 222.376 2.347 10 0 BEAERO COc1cc(OC)c([C@H]([NH3+])CF)cc1Cl ZINC000757133569 582509513 /nfs/dbraw/zinc/50/95/13/582509513.db2.gz JXWNPSZLCJLHKS-MRVPVSSYSA-N 1 0 233.670 2.327 10 0 BEAERO COc1cc(OC)c([C@@H]([NH3+])CF)cc1Cl ZINC000757133573 582509681 /nfs/dbraw/zinc/50/96/81/582509681.db2.gz JXWNPSZLCJLHKS-QMMMGPOBSA-N 1 0 233.670 2.327 10 0 BEAERO CCC1(CC)[NH2+]CC(C)(C)[C@]2(CCOC2)O1 ZINC000757138352 582517271 /nfs/dbraw/zinc/51/72/71/582517271.db2.gz BKOOCWLVPNHFGE-GFCCVEGCSA-N 1 0 227.348 2.308 10 0 BEAERO CC[S@](=O)CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000217328967 582519212 /nfs/dbraw/zinc/51/92/12/582519212.db2.gz VEEJGVNYVODIPQ-XUJVJEKNSA-N 1 0 231.405 2.313 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757139188 582519739 /nfs/dbraw/zinc/51/97/39/582519739.db2.gz FRRTVLDELLINNE-VHSXEESVSA-N 1 0 231.286 2.190 10 0 BEAERO CC(C)[C@H]1O[C@@]2(COC(C)(C)C2)[NH2+]CC12CC2 ZINC000757141159 582521669 /nfs/dbraw/zinc/52/16/69/582521669.db2.gz JJFDEMSLZHTIBY-RISCZKNCSA-N 1 0 239.359 2.306 10 0 BEAERO [NH3+]C[C@H]1CCN1Cc1cc(Cl)ccc1F ZINC000757143086 582523008 /nfs/dbraw/zinc/52/30/08/582523008.db2.gz GCBPGDKNJDKQBQ-SNVBAGLBSA-N 1 0 228.698 2.012 10 0 BEAERO c1ccc([C@H]2CCOC3(CCOCC3)[NH2+]2)cc1 ZINC000757143029 582523289 /nfs/dbraw/zinc/52/32/89/582523289.db2.gz VAFZKFYRTSRKEE-CYBMUJFWSA-N 1 0 233.311 2.244 10 0 BEAERO c1ccc([C@H]2CCO[C@]3(CCCOC3)[NH2+]2)cc1 ZINC000757143277 582523296 /nfs/dbraw/zinc/52/32/96/582523296.db2.gz VUORFAGZNIMXQU-KGLIPLIRSA-N 1 0 233.311 2.244 10 0 BEAERO CC(C)[C@H]1OC2(CCOCC2)[NH2+]CC1(C)C ZINC000757144331 582525098 /nfs/dbraw/zinc/52/50/98/582525098.db2.gz GKJNDRUWOYEYHO-LLVKDONJSA-N 1 0 227.348 2.164 10 0 BEAERO CC1(C)CC2(C1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757146069 582529308 /nfs/dbraw/zinc/52/93/08/582529308.db2.gz QDKIQHJDROVSQR-SSDOTTSWSA-N 1 0 205.248 2.146 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+][C@@]2(COC(C)(C)C2)OC1 ZINC000757148866 582533216 /nfs/dbraw/zinc/53/32/16/582533216.db2.gz OBKPNQBZWLFAFL-GXFFZTMASA-N 1 0 227.348 2.164 10 0 BEAERO COC[C@H]1CCO[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757149991 582533662 /nfs/dbraw/zinc/53/36/62/582533662.db2.gz PRTBIJCYPUJGAT-YPMHNXCESA-N 1 0 227.348 2.308 10 0 BEAERO CC1(C)C[C@@]2(CO1)[NH2+]CC1(CCCC1)CO2 ZINC000757151038 582535310 /nfs/dbraw/zinc/53/53/10/582535310.db2.gz ZZSWTWHLNOUXTO-CYBMUJFWSA-N 1 0 225.332 2.062 10 0 BEAERO C1CCC2(CC1)C[NH2+][C@]1(CCCOC1)OC2 ZINC000757151968 582536078 /nfs/dbraw/zinc/53/60/78/582536078.db2.gz UKUHEGYUNXKJTL-CYBMUJFWSA-N 1 0 225.332 2.063 10 0 BEAERO C[C@@H]1CCOC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757151545 582536166 /nfs/dbraw/zinc/53/61/66/582536166.db2.gz SQVDMGUOZOJFDT-MRVPVSSYSA-N 1 0 205.248 2.290 10 0 BEAERO CC[C@@]1(C)CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757151876 582536297 /nfs/dbraw/zinc/53/62/97/582536297.db2.gz RSXCBPCYWROXST-NWDGAFQWSA-N 1 0 213.321 2.062 10 0 BEAERO C[NH2+][C@@H](C)C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757152419 582536654 /nfs/dbraw/zinc/53/66/54/582536654.db2.gz LWYZXENMIFIETO-VIFPVBQESA-N 1 0 225.719 2.368 10 0 BEAERO CC(C)[C@@H]1CCC[C@@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757152608 582537446 /nfs/dbraw/zinc/53/74/46/582537446.db2.gz UTYAVWVNLTYSSW-TZMCWYRMSA-N 1 0 239.359 2.308 10 0 BEAERO CC1(C)[NH2+][C@H](Cc2ccccc2)CCO1 ZINC000757153766 582539272 /nfs/dbraw/zinc/53/92/72/582539272.db2.gz XLBODPIUWNAAGN-LBPRGKRZSA-N 1 0 205.301 2.344 10 0 BEAERO CCc1ccc(CSCCOCC[NH3+])o1 ZINC000757165573 582546973 /nfs/dbraw/zinc/54/69/73/582546973.db2.gz MNBLKTLCUCBTGX-UHFFFAOYSA-N 1 0 229.345 2.051 10 0 BEAERO C[NH2+][C@@H](COC)CSCc1occc1C ZINC000757167889 582549280 /nfs/dbraw/zinc/54/92/80/582549280.db2.gz ZDZBOCYPYBRHOT-JTQLQIEISA-N 1 0 229.345 2.056 10 0 BEAERO COC[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757172457 582551760 /nfs/dbraw/zinc/55/17/60/582551760.db2.gz XQJKRCAOHPIOLM-ZETCQYMHSA-N 1 0 235.736 2.140 10 0 BEAERO [NH3+]C[C@@H](O)CCCSCc1ccc(Cl)o1 ZINC000757172743 582551921 /nfs/dbraw/zinc/55/19/21/582551921.db2.gz YXVZSBDMGFVNQV-QMMMGPOBSA-N 1 0 249.763 2.266 10 0 BEAERO Cc1ccc(Cl)c2c1[C@@H](C[NH3+])CC(=O)N2 ZINC000757175957 582552837 /nfs/dbraw/zinc/55/28/37/582552837.db2.gz PFVACDMVCYXYEN-SSDOTTSWSA-N 1 0 224.691 2.033 10 0 BEAERO CC(C)C(c1nn(C)cc1C[NH3+])C(C)C ZINC000757175969 582553248 /nfs/dbraw/zinc/55/32/48/582553248.db2.gz QSBLDZUEYZUUGF-UHFFFAOYSA-N 1 0 209.337 2.274 10 0 BEAERO CCOC(=O)/C=C1/CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000757191602 582556667 /nfs/dbraw/zinc/55/66/67/582556667.db2.gz PWTKGSUFKJHZAQ-QMZLHQMTSA-N 1 0 223.316 2.028 10 0 BEAERO CC1(C)CC([C@@H](C[NH3+])CO)CC(C)(C)C1 ZINC000757193521 582557238 /nfs/dbraw/zinc/55/72/38/582557238.db2.gz VYJFWRBSSGRUQW-NSHDSACASA-N 1 0 213.365 2.406 10 0 BEAERO CC[C@@H]1CCC[C@]2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000757217869 582562670 /nfs/dbraw/zinc/56/26/70/582562670.db2.gz KMGSTOHHLRMDPN-NTZNESFSSA-N 1 0 225.332 2.237 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](c2cccc3cc[nH]c32)[C@@H](N)C1 ZINC000757220319 582563816 /nfs/dbraw/zinc/56/38/16/582563816.db2.gz YOXMHWNDIJVXBE-WFBYXXMGSA-N 1 0 229.327 2.166 10 0 BEAERO CCCC[C@@]1(CC)[NH2+]CCc2nc[nH]c21 ZINC000400486407 582579414 /nfs/dbraw/zinc/57/94/14/582579414.db2.gz ZDDDBVRIAPPGQZ-GFCCVEGCSA-N 1 0 207.321 2.351 10 0 BEAERO Cc1ccsc1[C@H]1CC[NH+]=C2N[C@@H](C)CN21 ZINC000235694740 582603028 /nfs/dbraw/zinc/60/30/28/582603028.db2.gz HMIGVBXZYRENPR-VHSXEESVSA-N 1 0 235.356 2.151 10 0 BEAERO Cc1cn2c([nH+]1)NC[C@H](c1ccccc1)C2 ZINC000236044942 582637141 /nfs/dbraw/zinc/63/71/41/582637141.db2.gz CZCIJUONZSGUPV-LBPRGKRZSA-N 1 0 213.284 2.401 10 0 BEAERO Nc1[nH+]ccn1CCSc1ccccc1 ZINC000702430651 582926128 /nfs/dbraw/zinc/92/61/28/582926128.db2.gz FLYYEIVTDPZKRA-UHFFFAOYSA-N 1 0 219.313 2.258 10 0 BEAERO CCn1cc([C@H]2[NH2+]CCc3sccc32)cn1 ZINC000397162292 583098560 /nfs/dbraw/zinc/09/85/60/583098560.db2.gz WDDKNUPCPIDMOH-GFCCVEGCSA-N 1 0 233.340 2.200 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc(O)c1 ZINC000051991991 583162168 /nfs/dbraw/zinc/16/21/68/583162168.db2.gz WTOBAWICTHFKPD-GDLCADMTSA-N 1 0 235.327 2.346 10 0 BEAERO C[C@@H](C[NH3+])c1noc(C2CCC(F)(F)CC2)n1 ZINC000216527603 583170161 /nfs/dbraw/zinc/17/01/61/583170161.db2.gz PNLHVKZYCFQBAB-ZETCQYMHSA-N 1 0 245.273 2.425 10 0 BEAERO CC[C@H](C)N(C)CC[NH2+]CC1(O)CCCCC1 ZINC000219539636 583174768 /nfs/dbraw/zinc/17/47/68/583174768.db2.gz RXYKRMUVSZICFJ-ZDUSSCGKSA-N 1 0 242.407 2.002 10 0 BEAERO CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000219382891 583175118 /nfs/dbraw/zinc/17/51/18/583175118.db2.gz WCFRLWGNJFPOEI-RDBSUJKOSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)[C@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)[NH3+] ZINC000122152519 583583710 /nfs/dbraw/zinc/58/37/10/583583710.db2.gz FBQSKIHZNQGCQA-UTUOFQBUSA-N 1 0 226.364 2.055 10 0 BEAERO Cc1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000334996340 583598934 /nfs/dbraw/zinc/59/89/34/583598934.db2.gz RJZKHLPIIKHKHT-LBPRGKRZSA-N 1 0 237.372 2.031 10 0 BEAERO C[C@H](CNc1ccc2c(c1)CCN2C)[NH+](C)C ZINC000757129193 586426023 /nfs/dbraw/zinc/42/60/23/586426023.db2.gz KXIOFDZNHSHQTI-LLVKDONJSA-N 1 0 233.359 2.041 10 0 BEAERO CCC[C@H]1CC[NH2+][C@@]2(CCCOCC2)O1 ZINC000757147335 586428846 /nfs/dbraw/zinc/42/88/46/586428846.db2.gz MDPVVNPGUTZSTF-RYUDHWBXSA-N 1 0 213.321 2.062 10 0 BEAERO Cc1cc(C[C@H]([NH3+])CN(C)C)ccc1Cl ZINC000757154406 586430084 /nfs/dbraw/zinc/43/00/84/586430084.db2.gz YNQUPWRXUJUHEX-NSHDSACASA-N 1 0 226.751 2.080 10 0 BEAERO Cc1cc(CC(=O)[C@H](C)[NH3+])ccc1Cl ZINC000757161495 586432031 /nfs/dbraw/zinc/43/20/31/586432031.db2.gz VXWMAZSYFMATFL-QMMMGPOBSA-N 1 0 211.692 2.107 10 0 BEAERO CC(C)c1cccc2c1NC(=O)C[C@H]2C[NH3+] ZINC000757175935 586433125 /nfs/dbraw/zinc/43/31/25/586433125.db2.gz NKPXTNKLHNBWRL-VIFPVBQESA-N 1 0 218.300 2.195 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])[C@@](F)(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000757182467 586433419 /nfs/dbraw/zinc/43/34/19/586433419.db2.gz JIIRQWJMCSLJOP-BSTOTGJRSA-N 1 0 245.338 2.430 10 0 BEAERO CC1(c2ccc([C@H]3C[C@H]([NH3+])CC[NH2+]3)cc2)CC1 ZINC000757206846 586437151 /nfs/dbraw/zinc/43/71/51/586437151.db2.gz APUZASJUJHXWRQ-ZIAGYGMSSA-N 1 0 230.355 2.490 10 0 BEAERO [NH3+]C[C@@H]1OCC[C@@]12CCC[C@H](C(F)(F)F)C2 ZINC000757206751 586437169 /nfs/dbraw/zinc/43/71/69/586437169.db2.gz BMZFLCBHUNHDRF-LPEHRKFASA-N 1 0 237.265 2.473 10 0 BEAERO CCCC[C@H]1[NH2+]CCC[C@@H]1C(=O)OCC ZINC000757208635 586437831 /nfs/dbraw/zinc/43/78/31/586437831.db2.gz AFNDPLHARKADIR-WDEREUQCSA-N 1 0 213.321 2.108 10 0 BEAERO CC1(c2ccc([C@H]3NCCC[C@H]3[NH3+])cc2)CC1 ZINC000757208392 586437924 /nfs/dbraw/zinc/43/79/24/586437924.db2.gz CLSXFGSEKGYGBD-ZIAGYGMSSA-N 1 0 230.355 2.490 10 0 BEAERO CC1(c2ccc([C@H]3NCCC[C@@H]3[NH3+])cc2)CC1 ZINC000757208388 586438034 /nfs/dbraw/zinc/43/80/34/586438034.db2.gz CLSXFGSEKGYGBD-UONOGXRCSA-N 1 0 230.355 2.490 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000757210080 586438353 /nfs/dbraw/zinc/43/83/53/586438353.db2.gz AHVQEQYFZPWCEJ-GHMZBOCLSA-N 1 0 204.317 2.433 10 0 BEAERO CC[C@H]1C[C@@H](C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000757215212 586440275 /nfs/dbraw/zinc/44/02/75/586440275.db2.gz NKNFOFGCBLVOHV-UWVGGRQHSA-N 1 0 213.321 2.106 10 0 BEAERO CC(=O)c1ccc([C@@H]2N[C@@H](C)CC[C@H]2[NH3+])cc1 ZINC000757215926 586440681 /nfs/dbraw/zinc/44/06/81/586440681.db2.gz OCKHJBZSFFHYBN-FZZIBODNSA-N 1 0 232.327 2.030 10 0 BEAERO C[C@@H]1N[C@H](c2cccc3cc[nH]c32)CC[C@H]1[NH3+] ZINC000757218273 586441568 /nfs/dbraw/zinc/44/15/68/586441568.db2.gz UUIAZCQENYZUNX-BIMULSAOSA-N 1 0 229.327 2.308 10 0 BEAERO CC1(C)CCC[C@@]2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000757217989 586441681 /nfs/dbraw/zinc/44/16/81/586441681.db2.gz LVHUSVKIYXAGNU-GWCFXTLKSA-N 1 0 225.332 2.237 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CN[C@@H]1c1cccc2cc[nH]c21 ZINC000757218284 586441919 /nfs/dbraw/zinc/44/19/19/586441919.db2.gz UVPNDTQWTUYJTK-XWIASGKRSA-N 1 0 229.327 2.166 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@H]1c1cnn(C(C)(C)C)c1 ZINC000757228164 586442745 /nfs/dbraw/zinc/44/27/45/586442745.db2.gz BXGBPFCVLFCLME-CMPLNLGQSA-N 1 0 221.348 2.494 10 0 BEAERO Cc1ccc(N)cc1[C@H]1C[NH2+]CC[C@H]1C ZINC000757234478 586443329 /nfs/dbraw/zinc/44/33/29/586443329.db2.gz KMTFMSZPQZBRBK-MFKMUULPSA-N 1 0 204.317 2.290 10 0 BEAERO [NH3+]Cc1cccc(-c2ccc(C=O)o2)c1 ZINC000757568583 586462140 /nfs/dbraw/zinc/46/21/40/586462140.db2.gz NCSRDSRZXQNBSG-UHFFFAOYSA-N 1 0 201.225 2.218 10 0 BEAERO CCC[N@@H+]1CCC=C(c2ccc(C(N)=O)cc2)C1 ZINC000757571589 586462759 /nfs/dbraw/zinc/46/27/59/586462759.db2.gz LMVQFCNKGYETBT-UHFFFAOYSA-N 1 0 244.338 2.285 10 0 BEAERO COC(=O)c1cc(-c2cccc(C[NH3+])c2)sn1 ZINC000757573585 586463156 /nfs/dbraw/zinc/46/31/56/586463156.db2.gz XUTJGOILQOIAMY-UHFFFAOYSA-N 1 0 248.307 2.055 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1cccc(Cl)n1 ZINC000122915310 589643620 /nfs/dbraw/zinc/64/36/20/589643620.db2.gz OBIPGCYDAJWLPW-IUCAKERBSA-N 1 0 225.723 2.274 10 0 BEAERO C[C@@H]1C[N@H+](CCC(=O)C(C)(C)C)CCS1 ZINC000123707898 589773448 /nfs/dbraw/zinc/77/34/48/589773448.db2.gz YMJQHVIOIYFKCQ-SNVBAGLBSA-N 1 0 229.389 2.429 10 0 BEAERO Cc1cc(C)c(C[NH2+]C(C)(C)CO)c(C)c1 ZINC000020196215 590081600 /nfs/dbraw/zinc/08/16/00/590081600.db2.gz DLNMXIHZWQGHEB-UHFFFAOYSA-N 1 0 221.344 2.472 10 0 BEAERO CC[C@H]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000128045443 590884536 /nfs/dbraw/zinc/88/45/36/590884536.db2.gz GXLXTGZXJUZONS-WDEREUQCSA-N 1 0 247.342 2.362 10 0 BEAERO CCCCC[N@H+](CCO)Cc1ccoc1 ZINC000128103761 590893220 /nfs/dbraw/zinc/89/32/20/590893220.db2.gz RQIQHPHJGDOESE-UHFFFAOYSA-N 1 0 211.305 2.264 10 0 BEAERO C[C@H]1CCc2n[nH]c([C@H]3CCC[NH2+]C3)c2C1 ZINC000211361712 591162472 /nfs/dbraw/zinc/16/24/72/591162472.db2.gz KUSHBPLGFDOQNP-UWVGGRQHSA-N 1 0 219.332 2.002 10 0 BEAERO C[C@@H]1C[C@@H](CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC000211603501 591207662 /nfs/dbraw/zinc/20/76/62/591207662.db2.gz SEDVWISXOJNMEA-MNOVXSKESA-N 1 0 242.363 2.371 10 0 BEAERO C[C@@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000129329819 591279199 /nfs/dbraw/zinc/27/91/99/591279199.db2.gz HPJQPKMRPDPGQS-GARJFASQSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)(C)Cc1noc(-c2ccnc(C[NH3+])c2)n1 ZINC000129711673 591380300 /nfs/dbraw/zinc/38/03/00/591380300.db2.gz YZUVNQOPPBEROP-UHFFFAOYSA-N 1 0 246.314 2.179 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)COCCOC)C(C)C ZINC000130272096 591453711 /nfs/dbraw/zinc/45/37/11/591453711.db2.gz BCZNSUZBGNEABR-NWDGAFQWSA-N 1 0 217.353 2.062 10 0 BEAERO CC[C@@H]1CCCCC[N@@H+]1CC(OC)OC ZINC000131149694 591559080 /nfs/dbraw/zinc/55/90/80/591559080.db2.gz MONGSYWXBQZQFF-LLVKDONJSA-N 1 0 215.337 2.260 10 0 BEAERO Cc1ccc(CC[NH2+][C@@H]2CCCSC2)cn1 ZINC000131454208 591610582 /nfs/dbraw/zinc/61/05/82/591610582.db2.gz DFMRHGXXNIBASR-CYBMUJFWSA-N 1 0 236.384 2.418 10 0 BEAERO Cc1ccc(CC[NH2+][C@H]2CCCSC2)cn1 ZINC000131454455 591611201 /nfs/dbraw/zinc/61/12/01/591611201.db2.gz DFMRHGXXNIBASR-ZDUSSCGKSA-N 1 0 236.384 2.418 10 0 BEAERO C([NH2+][C@@H]1CCCSC1)[C@@H]1CSCCS1 ZINC000131700481 591642375 /nfs/dbraw/zinc/64/23/75/591642375.db2.gz PYBDOTMYGSILOB-NXEZZACHSA-N 1 0 249.470 2.320 10 0 BEAERO CCC[C@@H](OC)c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000131978898 591681746 /nfs/dbraw/zinc/68/17/46/591681746.db2.gz PVYRLQOIHMOBMU-VHSXEESVSA-N 1 0 239.319 2.024 10 0 BEAERO O[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000214665278 591701913 /nfs/dbraw/zinc/70/19/13/591701913.db2.gz YHPZSABRPMSIBK-KBPBESRZSA-N 1 0 235.302 2.174 10 0 BEAERO OC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000132426535 591708876 /nfs/dbraw/zinc/70/88/76/591708876.db2.gz QMRKSHJNXLGVTF-LSDHHAIUSA-N 1 0 233.355 2.370 10 0 BEAERO FC(F)(F)SCC[NH2+][C@H]1CCCOC1 ZINC000132471450 591711888 /nfs/dbraw/zinc/71/18/88/591711888.db2.gz LBEOBQYUIAJCQP-ZETCQYMHSA-N 1 0 229.267 2.008 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000132982762 591754448 /nfs/dbraw/zinc/75/44/48/591754448.db2.gz ZNYFBEAZWTUVOT-KCJUWKMLSA-N 1 0 226.707 2.002 10 0 BEAERO CCCCCCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000133698148 591848693 /nfs/dbraw/zinc/84/86/93/591848693.db2.gz XCMPZLWUOHRRQN-RYUDHWBXSA-N 1 0 226.364 2.214 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC[S@@](C)=O)cc1F ZINC000133802666 591860107 /nfs/dbraw/zinc/86/01/07/591860107.db2.gz DIKLNNGRBZWHOA-HWPZZCPQSA-N 1 0 243.347 2.163 10 0 BEAERO Cc1cc(C)n(CCC[NH2+]Cc2ccoc2)n1 ZINC000134282467 591911387 /nfs/dbraw/zinc/91/13/87/591911387.db2.gz QGJXJRARUOSJAJ-UHFFFAOYSA-N 1 0 233.315 2.273 10 0 BEAERO C[NH+](C)[C@@H]1CCN(C(=S)Nc2ccccc2)C1 ZINC000134320421 591915512 /nfs/dbraw/zinc/91/55/12/591915512.db2.gz GQVVNCJROTYTNT-GFCCVEGCSA-N 1 0 249.383 2.019 10 0 BEAERO CC[C@H](CCO)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000134394425 591923149 /nfs/dbraw/zinc/92/31/49/591923149.db2.gz IWUCATQYSMCHPX-OLZOCXBDSA-N 1 0 241.375 2.229 10 0 BEAERO CCC[C@@H](O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000134410649 591925401 /nfs/dbraw/zinc/92/54/01/591925401.db2.gz FVPIVTKWCCUZSY-QWHCGFSZSA-N 1 0 241.375 2.229 10 0 BEAERO CC(C)(CO)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000134460359 591929257 /nfs/dbraw/zinc/92/92/57/591929257.db2.gz ZLGWCRTZWJNSRD-LBPRGKRZSA-N 1 0 223.291 2.174 10 0 BEAERO CC(C)(C)NC(=O)CC[NH2+]CCc1ccccc1 ZINC000134501953 591931855 /nfs/dbraw/zinc/93/18/55/591931855.db2.gz UYACCVPGQILHGC-UHFFFAOYSA-N 1 0 248.370 2.124 10 0 BEAERO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCSC1 ZINC000134812658 591951780 /nfs/dbraw/zinc/95/17/80/591951780.db2.gz VBSDXBMCIBMSCX-QWRGUYRKSA-N 1 0 231.405 2.269 10 0 BEAERO Cc1nnc([C@H](C)[NH2+][C@H]2CCCSC2)s1 ZINC000135009752 591972135 /nfs/dbraw/zinc/97/21/35/591972135.db2.gz LAVGHVCSDPQBLS-CBAPKCEASA-N 1 0 243.401 2.393 10 0 BEAERO CC[C@@H](O)CC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000135045015 591979135 /nfs/dbraw/zinc/97/91/35/591979135.db2.gz KTHPANNCHAHBCT-CHWSQXEVSA-N 1 0 241.375 2.229 10 0 BEAERO c1ccc2c(c1)cncc2C[NH2+]C[C@H]1CCOC1 ZINC000135373659 592009790 /nfs/dbraw/zinc/00/97/90/592009790.db2.gz HTWHRKNPGZDTNR-GFCCVEGCSA-N 1 0 242.322 2.361 10 0 BEAERO C[C@H](CCO)C[NH2+]Cc1cncc2ccccc21 ZINC000135380555 592010966 /nfs/dbraw/zinc/01/09/66/592010966.db2.gz HMJPHYLAHODJNP-GFCCVEGCSA-N 1 0 244.338 2.343 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CC(C)(C)C[C@H]2C ZINC000300128766 592503311 /nfs/dbraw/zinc/50/33/11/592503311.db2.gz CGGJEOJHWBVSAN-SUNKGSAMSA-N 1 0 239.359 2.211 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cncc(F)c1 ZINC000300412366 592511733 /nfs/dbraw/zinc/51/17/33/592511733.db2.gz SNDRIWOUPZTNFV-JIMOISOXSA-N 1 0 238.306 2.439 10 0 BEAERO O[C@H](CC[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000302654248 592551695 /nfs/dbraw/zinc/55/16/95/592551695.db2.gz WPSMWGJDJOTCSQ-RBSFLKMASA-N 1 0 249.354 2.003 10 0 BEAERO CC1(C)COC[C@@H]1[NH2+][C@H]1COc2ccccc21 ZINC000313020096 634439835 /nfs/dbraw/zinc/43/98/35/634439835.db2.gz ZZUSAORJZNNUNC-AAEUAGOBSA-N 1 0 233.311 2.135 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CN1CCCc2ccccc21 ZINC000104211642 634460472 /nfs/dbraw/zinc/46/04/72/634460472.db2.gz JXGFWQZQIZYXTB-OCCSQVGLSA-N 1 0 230.355 2.295 10 0 BEAERO Clc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)o1 ZINC000257930412 634526709 /nfs/dbraw/zinc/52/67/09/634526709.db2.gz GZDUCRXREAMLJA-ZCFIWIBFSA-N 1 0 239.662 2.408 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+]C(C1CC1)C1CC1 ZINC000038095483 634572345 /nfs/dbraw/zinc/57/23/45/634572345.db2.gz FUXUBYSCAKXZBR-LBPRGKRZSA-N 1 0 209.333 2.334 10 0 BEAERO C[NH2+][C@H](C)c1nc(-c2ccc(C)s2)no1 ZINC000258154106 634580248 /nfs/dbraw/zinc/58/02/48/634580248.db2.gz WKLUGPLRCGVILQ-SSDOTTSWSA-N 1 0 223.301 2.387 10 0 BEAERO CCc1cccc(F)c1C[NH2+][C@@H](C)[C@@H](C)O ZINC000336765933 635284318 /nfs/dbraw/zinc/28/43/18/635284318.db2.gz OQAABOZPELNCQY-VHSXEESVSA-N 1 0 225.307 2.247 10 0 BEAERO CC(C)(C)C(=O)CC[NH+]1CCSCC1 ZINC000054026373 635326994 /nfs/dbraw/zinc/32/69/94/635326994.db2.gz DCYOQHXEKHDPLR-UHFFFAOYSA-N 1 0 215.362 2.041 10 0 BEAERO CC1(C)C[C@@H]1c1noc(C2(C[NH3+])CCCC2)n1 ZINC000225475074 635408417 /nfs/dbraw/zinc/40/84/17/635408417.db2.gz AFKSYUGRQZZAOG-SECBINFHSA-N 1 0 235.331 2.354 10 0 BEAERO CCC[C@@H](OC)c1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000227311789 635449596 /nfs/dbraw/zinc/44/95/96/635449596.db2.gz LZNNZYNWQSRNMV-NXEZZACHSA-N 1 0 241.335 2.083 10 0 BEAERO CCC1(c2nc(C[C@@H]3CCC[NH2+]C3)no2)CC1 ZINC000310294498 635516584 /nfs/dbraw/zinc/51/65/84/635516584.db2.gz OONJAZWPEDJLJL-JTQLQIEISA-N 1 0 235.331 2.053 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000233371398 635531328 /nfs/dbraw/zinc/53/13/28/635531328.db2.gz CMUDDHPKWJTWEP-WDEREUQCSA-N 1 0 226.364 2.069 10 0 BEAERO Cc1cc(NC[C@@H]2Cc3ccccc32)nc(N)[nH+]1 ZINC000108094816 635542485 /nfs/dbraw/zinc/54/24/85/635542485.db2.gz SSLBEEPSTJFBNJ-NSHDSACASA-N 1 0 240.310 2.119 10 0 BEAERO Cc1ccncc1NC1CC[NH+](C2CC2)CC1 ZINC000297718555 631245548 /nfs/dbraw/zinc/24/55/48/631245548.db2.gz RQCOTXZGAOCGJC-UHFFFAOYSA-N 1 0 231.343 2.429 10 0 BEAERO CSCC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308540099 631421556 /nfs/dbraw/zinc/42/15/56/631421556.db2.gz MKYMWFVPUNEEJL-VHSXEESVSA-N 1 0 219.394 2.125 10 0 BEAERO C[C@H](Cc1ccccc1Cl)N[C@@H]1CC[NH2+]C1 ZINC000086726780 631471640 /nfs/dbraw/zinc/47/16/40/631471640.db2.gz SZDLGWSWJSWCRM-ZYHUDNBSSA-N 1 0 238.762 2.223 10 0 BEAERO C[NH2+][C@H](C)CNC(=O)C1CCCCCCC1 ZINC000234425709 631512850 /nfs/dbraw/zinc/51/28/50/631512850.db2.gz TZEXCUUORLERJC-LLVKDONJSA-N 1 0 226.364 2.071 10 0 BEAERO CC(C)c1ccc(NC(=O)C2CC([NH3+])C2)cc1 ZINC000258669133 631577060 /nfs/dbraw/zinc/57/70/60/631577060.db2.gz HJTMOVYUARXZHR-UHFFFAOYSA-N 1 0 232.327 2.486 10 0 BEAERO CCO[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043254692 631755821 /nfs/dbraw/zinc/75/58/21/631755821.db2.gz FYWVSYYXQUFOGQ-LURJTMIESA-N 1 0 205.710 2.438 10 0 BEAERO COC1CC([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000308960432 631770041 /nfs/dbraw/zinc/77/00/41/631770041.db2.gz RUNUSWWIZDTYDJ-TYUFSLCMSA-N 1 0 209.333 2.332 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]C1CC(C(F)F)C1 ZINC000309018890 631801615 /nfs/dbraw/zinc/80/16/15/631801615.db2.gz VTCBSKNSFXQBKX-HACHORDNSA-N 1 0 221.291 2.027 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H](C)O)c1 ZINC000309036903 631807682 /nfs/dbraw/zinc/80/76/82/631807682.db2.gz IQKUCDNNUBPOJQ-VXGBXAGGSA-N 1 0 207.317 2.162 10 0 BEAERO Cc1nc(-c2ccc(N)cc2F)[nH]c1C ZINC000043571257 631809263 /nfs/dbraw/zinc/80/92/63/631809263.db2.gz IKGMLBLKKDRLMH-UHFFFAOYSA-N 1 0 205.236 2.415 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000309046443 631823209 /nfs/dbraw/zinc/82/32/09/631823209.db2.gz OXSHZINCQYBCAK-DJIHRAIXSA-N 1 0 211.349 2.314 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000309058022 631832251 /nfs/dbraw/zinc/83/22/51/631832251.db2.gz VGPZHLHMPZQXRM-JGVFFNPUSA-N 1 0 231.698 2.338 10 0 BEAERO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc2c(c1)CCO2 ZINC000112344677 631883326 /nfs/dbraw/zinc/88/33/26/631883326.db2.gz FQMFQYMLIBMFLI-SNVBAGLBSA-N 1 0 243.310 2.195 10 0 BEAERO CSCCCCCC[NH2+]CC(C)(C)O ZINC000235107056 631963978 /nfs/dbraw/zinc/96/39/78/631963978.db2.gz PLNICHIBXFRWTO-UHFFFAOYSA-N 1 0 219.394 2.270 10 0 BEAERO CCCNC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000052044019 632052134 /nfs/dbraw/zinc/05/21/34/632052134.db2.gz FIVOPNQDQCGNSB-VXGBXAGGSA-N 1 0 217.316 2.066 10 0 BEAERO CC[C@H](C)c1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000251330182 635702952 /nfs/dbraw/zinc/70/29/52/635702952.db2.gz IJQOKYWKBFYRIE-LPEHRKFASA-N 1 0 223.320 2.426 10 0 BEAERO Cl/C=C(\Cl)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248161296 632104306 /nfs/dbraw/zinc/10/43/06/632104306.db2.gz GKJXAZVUWGYQMC-ZJRUKIMVSA-N 1 0 249.185 2.476 10 0 BEAERO CCC(CC)CNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000125061960 632104956 /nfs/dbraw/zinc/10/49/56/632104956.db2.gz OBIJISHORUCGQR-OLZOCXBDSA-N 1 0 240.391 2.304 10 0 BEAERO [NH3+]CC[C@H]1CCN(c2nccc3ccccc32)C1 ZINC000125508368 632106738 /nfs/dbraw/zinc/10/67/38/632106738.db2.gz MPJZWXWTRYPMCH-LBPRGKRZSA-N 1 0 241.338 2.410 10 0 BEAERO CCOc1ccccc1-c1nc([C@H](C)C[NH3+])no1 ZINC000054158760 635775999 /nfs/dbraw/zinc/77/59/99/635775999.db2.gz NPSFPBBNYVXUPI-SECBINFHSA-N 1 0 247.298 2.198 10 0 BEAERO COC[C@H](C)[NH2+][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000309486016 632418341 /nfs/dbraw/zinc/41/83/41/632418341.db2.gz VMIZHUBQDBPYPY-TVYUQYBPSA-N 1 0 223.291 2.306 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000309031376 632619513 /nfs/dbraw/zinc/61/95/13/632619513.db2.gz DZJMOEWAYGVFQZ-HTQZYQBOSA-N 1 0 231.698 2.338 10 0 BEAERO C[C@]1(C[NH2+]CCc2ccccc2)CCOC1 ZINC000309743022 632662610 /nfs/dbraw/zinc/66/26/10/632662610.db2.gz DRVMLDNAECPVSH-CQSZACIVSA-N 1 0 219.328 2.245 10 0 BEAERO Cc1cnn(CC[NH2+]C2[C@@H](C)CC[C@@H]2C)c1 ZINC000309767959 632667813 /nfs/dbraw/zinc/66/78/13/632667813.db2.gz JWBBOJKMZNCMSY-RYUDHWBXSA-N 1 0 221.348 2.216 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000309942750 632685758 /nfs/dbraw/zinc/68/57/58/632685758.db2.gz CDDWXJLZFYLSPQ-RKDXNWHRSA-N 1 0 242.388 2.300 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)cnc1Cl ZINC000309962666 632687660 /nfs/dbraw/zinc/68/76/60/632687660.db2.gz MAUNGTVNDCJOEI-MWLCHTKSSA-N 1 0 240.734 2.310 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C/C=C\Cl ZINC000255899226 633009731 /nfs/dbraw/zinc/00/97/31/633009731.db2.gz WZPVQBZLSAUFHM-XOIDGJRKSA-N 1 0 216.756 2.155 10 0 BEAERO COC[C@H](C)C[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309405639 633021986 /nfs/dbraw/zinc/02/19/86/633021986.db2.gz AVPDPONBRSZRDO-MFKMUULPSA-N 1 0 222.332 2.264 10 0 BEAERO CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H]1O ZINC000704029447 633045901 /nfs/dbraw/zinc/04/59/01/633045901.db2.gz DCKBNBWCNIHSPS-CHWSQXEVSA-N 1 0 205.301 2.032 10 0 BEAERO Cc1occc1-c1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000165592349 633094681 /nfs/dbraw/zinc/09/46/81/633094681.db2.gz CWQMWPMSZVYFLJ-RKDXNWHRSA-N 1 0 233.271 2.233 10 0 BEAERO COC(=O)[C@H]1C[NH2+]CC12CCC(C(C)C)CC2 ZINC000166460130 633113297 /nfs/dbraw/zinc/11/32/97/633113297.db2.gz AHFRVYZMVOCKGJ-MBHSVXNSSA-N 1 0 239.359 2.211 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCCC(C)(C)C2 ZINC000166592041 633116828 /nfs/dbraw/zinc/11/68/28/633116828.db2.gz ZKJANWCRSSDTOK-SMDDNHRTSA-N 1 0 239.359 2.356 10 0 BEAERO CC[C@@H](C)Cc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000167771708 633132636 /nfs/dbraw/zinc/13/26/36/633132636.db2.gz UUQKCDOXOKHOEA-MNOVXSKESA-N 1 0 237.347 2.200 10 0 BEAERO C[NH2+]CCc1noc(CSc2ccccc2)n1 ZINC000092234111 633235047 /nfs/dbraw/zinc/23/50/47/633235047.db2.gz WONJFUGVIMRDIA-UHFFFAOYSA-N 1 0 249.339 2.124 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000328191767 633739509 /nfs/dbraw/zinc/73/95/09/633739509.db2.gz PQVOSYUUONUAJX-HOAMVYINSA-N 1 0 222.376 2.249 10 0 BEAERO CCC[N@@H+]1CC[C@]2(C1)C[C@@H](O)c1ccccc1O2 ZINC000328158504 633740924 /nfs/dbraw/zinc/74/09/24/633740924.db2.gz GRPNRQRJVNGZIX-UKRRQHHQSA-N 1 0 247.338 2.357 10 0 BEAERO CC[C@H]1CC[C@H](C(=O)NCC2CC([NH3+])C2)CC1 ZINC000328332280 633754877 /nfs/dbraw/zinc/75/48/77/633754877.db2.gz IVBDCZDCYBFPQG-RUXNMCCTSA-N 1 0 238.375 2.056 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC2(CCCC2)C1 ZINC000328410913 633763276 /nfs/dbraw/zinc/76/32/76/633763276.db2.gz VCVSZLRMGLJXJR-VXGBXAGGSA-N 1 0 209.333 2.166 10 0 BEAERO C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cccs1 ZINC000328417118 633764320 /nfs/dbraw/zinc/76/43/20/633764320.db2.gz IPZSRTOWWMBTJY-UCZLSJFXSA-N 1 0 248.395 2.395 10 0 BEAERO OCCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000175748289 633792095 /nfs/dbraw/zinc/79/20/95/633792095.db2.gz HTXUYADBLZXVCY-ZIAGYGMSSA-N 1 0 241.375 2.183 10 0 BEAERO CC(=O)CC[NH+]1CCC(OCC(C)C)CC1 ZINC000122787923 633857601 /nfs/dbraw/zinc/85/76/01/633857601.db2.gz NNJZOVMOTAFESS-UHFFFAOYSA-N 1 0 227.348 2.103 10 0 BEAERO C[C@H](C[NH2+][C@@H](C)[C@H](C)O)Cc1ccccc1 ZINC000309894075 633910745 /nfs/dbraw/zinc/91/07/45/633910745.db2.gz FCUYWQNURIWFPB-AVGNSLFASA-N 1 0 221.344 2.224 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000309903120 633921118 /nfs/dbraw/zinc/92/11/18/633921118.db2.gz ITQGUYMAASVVEV-XDQVBPFNSA-N 1 0 224.392 2.351 10 0 BEAERO COc1cccc([C@H](CO)[NH2+]C/C=C\Cl)c1 ZINC000309916583 633935730 /nfs/dbraw/zinc/93/57/30/633935730.db2.gz PRCVRDPEEZDXFC-RYBZSIHZSA-N 1 0 241.718 2.071 10 0 BEAERO CC[C@@H](C)c1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000309538210 633947278 /nfs/dbraw/zinc/94/72/78/633947278.db2.gz FLTJEVAHJGMXLY-NXEZZACHSA-N 1 0 223.320 2.268 10 0 BEAERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC000309941505 633965284 /nfs/dbraw/zinc/96/52/84/633965284.db2.gz BUESIIWGWMIWLY-HBNTYKKESA-N 1 0 224.304 2.201 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000053534462 634227709 /nfs/dbraw/zinc/22/77/09/634227709.db2.gz ONEYDZJHTXHULK-OLZOCXBDSA-N 1 0 221.348 2.360 10 0 BEAERO CC(C)CCOCC[NH2+]Cc1ccoc1 ZINC000053551448 634236115 /nfs/dbraw/zinc/23/61/15/634236115.db2.gz PIXHSMFXKAKYME-UHFFFAOYSA-N 1 0 211.305 2.432 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123598482 634249872 /nfs/dbraw/zinc/24/98/72/634249872.db2.gz PJHMQCZGJRRINP-BDAKNGLRSA-N 1 0 225.254 2.486 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CCOC2CCOCC2)C1 ZINC000053590975 634255752 /nfs/dbraw/zinc/25/57/52/634255752.db2.gz YSRJSHQHIBBUGI-OLZOCXBDSA-N 1 0 241.375 2.350 10 0 BEAERO C(COC1CCOCC1)[NH2+]C1CCCCC1 ZINC000053591109 634257039 /nfs/dbraw/zinc/25/70/39/634257039.db2.gz PQTOZKVVKUJFQN-UHFFFAOYSA-N 1 0 227.348 2.104 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C(C)(C)C ZINC000162746149 634333020 /nfs/dbraw/zinc/33/30/20/634333020.db2.gz KRQWSHHYSYGRQD-MNOVXSKESA-N 1 0 228.380 2.158 10 0 BEAERO CC(C)Oc1ccc(NC(=O)C2CC([NH3+])C2)cc1 ZINC000258763988 635196618 /nfs/dbraw/zinc/19/66/18/635196618.db2.gz PBCMIJPSVXJAQV-UHFFFAOYSA-N 1 0 248.326 2.150 10 0 BEAERO [NH3+]C1CC(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000258810415 635206780 /nfs/dbraw/zinc/20/67/80/635206780.db2.gz UFPJBRCBZHNGOY-UHFFFAOYSA-N 1 0 242.681 2.155 10 0 BEAERO C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@H](C)O ZINC000336782471 635281132 /nfs/dbraw/zinc/28/11/32/635281132.db2.gz XTNHCRDYOTXKJH-CJOPTALJSA-N 1 0 223.291 2.198 10 0 BEAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@H](C)O)s1 ZINC000336783173 635281433 /nfs/dbraw/zinc/28/14/33/635281433.db2.gz ZQDUKPBPJCKUMM-NRPADANISA-N 1 0 242.388 2.434 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)oc1C ZINC000336756637 635282605 /nfs/dbraw/zinc/28/26/05/635282605.db2.gz IWPFZAWNWGKLRB-KXUCPTDWSA-N 1 0 211.305 2.316 10 0 BEAERO CC(C)c1cnc(C[NH2+][C@H](C)[C@@H](C)O)s1 ZINC000336773581 635288432 /nfs/dbraw/zinc/28/84/32/635288432.db2.gz YZCVCNZRDLEJIA-RKDXNWHRSA-N 1 0 228.361 2.125 10 0 BEAERO C[C@@H]([NH2+]CCC(=O)N1CCCC1)C1CCCC1 ZINC000054077606 635345041 /nfs/dbraw/zinc/34/50/41/635345041.db2.gz ARFVTPFODSBRQH-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1ccccc1Cc1nc([C@H](C)C[NH3+])no1 ZINC000054158568 635774789 /nfs/dbraw/zinc/77/47/89/635774789.db2.gz AZQMJGCRMZBGDJ-SNVBAGLBSA-N 1 0 231.299 2.031 10 0 BEAERO COC1(CC[N@@H+]2CCC[C@H](C(C)=O)C2)CCC1 ZINC000310534307 636265227 /nfs/dbraw/zinc/26/52/27/636265227.db2.gz AGVUSYLEJHLXJI-ZDUSSCGKSA-N 1 0 239.359 2.247 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@H]1c1cc(F)ccc1F ZINC000250565402 636542461 /nfs/dbraw/zinc/54/24/61/636542461.db2.gz DECBJGFGSJTVLI-CABZTGNLSA-N 1 0 226.270 2.059 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])Cc1nc(-c2cccnc2)no1 ZINC000109495144 636619397 /nfs/dbraw/zinc/61/93/97/636619397.db2.gz VMNZRPCPKQMSHB-JTQLQIEISA-N 1 0 246.314 2.048 10 0 BEAERO Cl/C=C(/Cl)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000263635036 636734848 /nfs/dbraw/zinc/73/48/48/636734848.db2.gz GKJXAZVUWGYQMC-PFEDMVJOSA-N 1 0 249.185 2.476 10 0 BEAERO COCC[NH2+]C[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000054598567 637036069 /nfs/dbraw/zinc/03/60/69/637036069.db2.gz BMTWWQFGWVKKTF-AAEUAGOBSA-N 1 0 223.291 2.165 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000042407805 637229685 /nfs/dbraw/zinc/22/96/85/637229685.db2.gz LMDXOYQGPCVCKI-AWEZNQCLSA-N 1 0 236.334 2.400 10 0 BEAERO COc1cccc(CN(C)CCC[NH2+]C2CC2)c1 ZINC000042442192 637251407 /nfs/dbraw/zinc/25/14/07/637251407.db2.gz OMXWEWXDTXGZTC-UHFFFAOYSA-N 1 0 248.370 2.269 10 0 BEAERO CCC(CC)[N@H+](CCOC)CCC(C)=O ZINC000042680628 637357121 /nfs/dbraw/zinc/35/71/21/637357121.db2.gz CCFAXWHPBJVTPU-UHFFFAOYSA-N 1 0 215.337 2.103 10 0 BEAERO Cc1cc(NCCc2ccccc2)nc(N)[nH+]1 ZINC000043531917 638522355 /nfs/dbraw/zinc/52/23/55/638522355.db2.gz AOXDCECENDPBQY-UHFFFAOYSA-N 1 0 228.299 2.022 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000348398827 639140373 /nfs/dbraw/zinc/14/03/73/639140373.db2.gz KDAQFLMHSXEMTD-QKEORKQXSA-N 1 0 237.318 2.431 10 0 BEAERO CC(C)C[C@@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698751 640304722 /nfs/dbraw/zinc/30/47/22/640304722.db2.gz VHYODLYUGMVTEU-SECBINFHSA-N 1 0 224.352 2.159 10 0 BEAERO C[NH2+][C@@H](C)c1nc(C2CCCCC2)nn1C ZINC000054699325 640321680 /nfs/dbraw/zinc/32/16/80/640321680.db2.gz KJIJQYILGYRGIG-VIFPVBQESA-N 1 0 222.336 2.143 10 0 BEAERO C[NH2+][C@H](C)c1nc(C2CCCCC2)nn1C ZINC000054699326 640322132 /nfs/dbraw/zinc/32/21/32/640322132.db2.gz KJIJQYILGYRGIG-SECBINFHSA-N 1 0 222.336 2.143 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cc1C ZINC000166575979 640650964 /nfs/dbraw/zinc/65/09/64/640650964.db2.gz TWMUYELBQXWKIV-UONOGXRCSA-N 1 0 247.338 2.170 10 0 BEAERO Cc1cc(NCc2cccs2)nc(N)[nH+]1 ZINC000045723881 640652793 /nfs/dbraw/zinc/65/27/93/640652793.db2.gz XPWLYYOEGSTBQQ-UHFFFAOYSA-N 1 0 220.301 2.041 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC000226816082 640794008 /nfs/dbraw/zinc/79/40/08/640794008.db2.gz DJWZYRWAMKQSIS-UONOGXRCSA-N 1 0 245.370 2.143 10 0 BEAERO [NH3+][C@@H]1CC[C@@H](c2nc([C@@H]3CCCS3)no2)C1 ZINC000227082690 640814480 /nfs/dbraw/zinc/81/44/80/640814480.db2.gz MAOMURUUJUBJKA-HLTSFMKQSA-N 1 0 239.344 2.233 10 0 BEAERO Cc1cccc(N2CC3(CC[NH2+]CC3)OC2=O)c1 ZINC000059736055 640827781 /nfs/dbraw/zinc/82/77/81/640827781.db2.gz IYFGNTUQYZQZAK-UHFFFAOYSA-N 1 0 246.310 2.074 10 0 BEAERO CCC[C@H](OC)c1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000227312541 640827797 /nfs/dbraw/zinc/82/77/97/640827797.db2.gz UIGJYUIHZXNVCG-AEJSXWLSSA-N 1 0 239.319 2.152 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2ncnc3sccc32)C1 ZINC000227647924 640843109 /nfs/dbraw/zinc/84/31/09/640843109.db2.gz ZYSZUEPRDVEHEF-DTWKUNHWSA-N 1 0 248.355 2.231 10 0 BEAERO Cc1cc(N[C@H](C)Cc2ccsc2)nc(N)[nH+]1 ZINC000060451981 640861815 /nfs/dbraw/zinc/86/18/15/640861815.db2.gz IDBWTHRBERTNMK-MRVPVSSYSA-N 1 0 248.355 2.472 10 0 BEAERO C[NH2+][C@H](CCCc1ccccc1)COC ZINC000060697427 640880024 /nfs/dbraw/zinc/88/00/24/640880024.db2.gz HFHCEOJFMGQPMG-CYBMUJFWSA-N 1 0 207.317 2.244 10 0 BEAERO CCCCCC(C)(C)CNC(=O)[C@@H](C)[NH2+]C ZINC000087399643 640883478 /nfs/dbraw/zinc/88/34/78/640883478.db2.gz NTWBBRBDXWQCOL-LLVKDONJSA-N 1 0 228.380 2.317 10 0 BEAERO CC[C@H](C)c1noc(C[C@H]([NH3+])CC(C)C)n1 ZINC000087527033 640909901 /nfs/dbraw/zinc/90/99/01/640909901.db2.gz YGVFBJBWPSQBFY-VHSXEESVSA-N 1 0 225.336 2.499 10 0 BEAERO COC(=O)[C@H]1C[NH2+]CC12CCCCCCC2 ZINC000229203797 640932901 /nfs/dbraw/zinc/93/29/01/640932901.db2.gz NTUIYRAYDAVBGL-LLVKDONJSA-N 1 0 225.332 2.110 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@@H](C)CC2 ZINC000229213554 640934502 /nfs/dbraw/zinc/93/45/02/640934502.db2.gz YFKLWSTXJOHDLV-MBNYWOFBSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCCC[C@@H]2CC ZINC000229219467 640934761 /nfs/dbraw/zinc/93/47/61/640934761.db2.gz AGBMEYGCEXBIEU-SGMGOOAPSA-N 1 0 239.359 2.356 10 0 BEAERO CCc1cccc2c1OC[C@H]([C@H](C)[NH3+])C2 ZINC000675063933 640960390 /nfs/dbraw/zinc/96/03/90/640960390.db2.gz UIKUHXWFMLJQFR-JOYOIKCWSA-N 1 0 205.301 2.147 10 0 BEAERO Cc1ccc(F)c2c1C[C@@H]([C@@H](C)[NH3+])CO2 ZINC000675064120 640960639 /nfs/dbraw/zinc/96/06/39/640960639.db2.gz VXVMCUMKNFKDHL-RKDXNWHRSA-N 1 0 209.264 2.032 10 0 BEAERO C1C[NH2+][C@H](c2nc([C@H]3CCCCS3)no2)C1 ZINC000087700231 640978871 /nfs/dbraw/zinc/97/88/71/640978871.db2.gz CSANAKNVIQRWEK-DTWKUNHWSA-N 1 0 239.344 2.452 10 0 BEAERO CCc1csc(N2CCC(C[NH2+]C)CC2)n1 ZINC000061895121 641006278 /nfs/dbraw/zinc/00/62/78/641006278.db2.gz JMYMIMMQUGIRFL-UHFFFAOYSA-N 1 0 239.388 2.141 10 0 BEAERO c1cc(C[NH2+]CCc2ccccn2)co1 ZINC000062103299 641019113 /nfs/dbraw/zinc/01/91/13/641019113.db2.gz JNWNLEFWJPQESR-UHFFFAOYSA-N 1 0 202.257 2.007 10 0 BEAERO c1csc(CC[NH2+]Cc2ccoc2)n1 ZINC000062103847 641021617 /nfs/dbraw/zinc/02/16/17/641021617.db2.gz JYEQWEORMBBAJO-UHFFFAOYSA-N 1 0 208.286 2.068 10 0 BEAERO C[C@H](CN1CCCCC1)[NH2+]Cc1ccoc1 ZINC000062103599 641022251 /nfs/dbraw/zinc/02/22/51/641022251.db2.gz JSWJWRPOKAGVJP-GFCCVEGCSA-N 1 0 222.332 2.244 10 0 BEAERO Cc1cccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000062119740 641023301 /nfs/dbraw/zinc/02/33/01/641023301.db2.gz XBHKFYNPTBVLLZ-GFCCVEGCSA-N 1 0 243.310 2.046 10 0 BEAERO Cc1cc2sc(NCC[NH3+])nc2c(C)c1 ZINC000062201954 641025307 /nfs/dbraw/zinc/02/53/07/641025307.db2.gz JXDQGPMUAMUYQI-UHFFFAOYSA-N 1 0 221.329 2.284 10 0 BEAERO COC1CC([NH2+]Cc2cc(F)ccc2C)C1 ZINC000230690152 641086522 /nfs/dbraw/zinc/08/65/22/641086522.db2.gz CCVDGBKALSAIRT-UHFFFAOYSA-N 1 0 223.291 2.401 10 0 BEAERO COC1CC([NH2+]Cc2ccc(F)cc2C)C1 ZINC000230690012 641087814 /nfs/dbraw/zinc/08/78/14/641087814.db2.gz DPDASINENRSYQP-UHFFFAOYSA-N 1 0 223.291 2.401 10 0 BEAERO CC[C@@H](C)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084480 641126943 /nfs/dbraw/zinc/12/69/43/641126943.db2.gz IIQZGTPKBOBZQG-NXEZZACHSA-N 1 0 223.320 2.125 10 0 BEAERO Cc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)o1 ZINC000063084665 641127979 /nfs/dbraw/zinc/12/79/79/641127979.db2.gz NNQIQQLMJNMEEX-SNVBAGLBSA-N 1 0 247.298 2.180 10 0 BEAERO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCCSC1 ZINC000061588067 641182690 /nfs/dbraw/zinc/18/26/90/641182690.db2.gz UDLHJVDYUBVQLM-QWHCGFSZSA-N 1 0 242.432 2.346 10 0 BEAERO Oc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1F ZINC000232349177 641266054 /nfs/dbraw/zinc/26/60/54/641266054.db2.gz LSTVFKRROSVLLI-VIFPVBQESA-N 1 0 249.245 2.006 10 0 BEAERO CC(C)[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675080192 641341969 /nfs/dbraw/zinc/34/19/69/641341969.db2.gz OIKCJBVJZUVRGE-SWHYSGLUSA-N 1 0 246.354 2.019 10 0 BEAERO c1cc2c(s1)[C@@H](c1ccccn1)[NH2+]CC2 ZINC000084483327 641359207 /nfs/dbraw/zinc/35/92/07/641359207.db2.gz IWZXWOZLIZBWKD-LLVKDONJSA-N 1 0 216.309 2.378 10 0 BEAERO CC(C)Oc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000040640652 641535023 /nfs/dbraw/zinc/53/50/23/641535023.db2.gz UCZMNMWDBQLHEU-UHFFFAOYSA-N 1 0 245.326 2.487 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1CCOCCC(C)C ZINC000042407939 641552655 /nfs/dbraw/zinc/55/26/55/641552655.db2.gz CFXSAWWLNCOPCE-CQSZACIVSA-N 1 0 242.407 2.123 10 0 BEAERO Cc1cc(N(C)Cc2ccccc2F)nc(N)[nH+]1 ZINC000043532638 641565213 /nfs/dbraw/zinc/56/52/13/641565213.db2.gz PUTPTNJHAWXSKB-UHFFFAOYSA-N 1 0 246.289 2.143 10 0 BEAERO Cc1cc(N[C@@H]2CCc3ccccc32)nc(N)[nH+]1 ZINC000043533782 641566546 /nfs/dbraw/zinc/56/65/46/641566546.db2.gz DQKILULKWBRLEF-GFCCVEGCSA-N 1 0 240.310 2.467 10 0 BEAERO Cc1ccccc1[C@@H](O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000044171109 641587389 /nfs/dbraw/zinc/58/73/89/641587389.db2.gz QASIPKFYLXKUBS-ZFWWWQNUSA-N 1 0 249.354 2.139 10 0 BEAERO CC1(C)C[C@@H]1[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000044369019 641598389 /nfs/dbraw/zinc/59/83/89/641598389.db2.gz CMIVFVZIXYUGIH-NEPJUHHUSA-N 1 0 241.281 2.386 10 0 BEAERO CC1(c2noc([C@@H]3CCCC[C@@H]3C[NH3+])n2)CC1 ZINC000156311299 641605282 /nfs/dbraw/zinc/60/52/82/641605282.db2.gz YGXNBUJUFGVAMW-NXEZZACHSA-N 1 0 235.331 2.354 10 0 BEAERO Clc1cccc(NCC2CC[NH2+]CC2)n1 ZINC000045949588 641620991 /nfs/dbraw/zinc/62/09/91/641620991.db2.gz SJEBNRUHXGUDEN-UHFFFAOYSA-N 1 0 225.723 2.147 10 0 BEAERO CC1CCN(C(=O)[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089385503 641674731 /nfs/dbraw/zinc/67/47/31/641674731.db2.gz JCHKEHIYZYCIHN-STQMWFEESA-N 1 0 238.375 2.010 10 0 BEAERO CC(=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000075904881 641778480 /nfs/dbraw/zinc/77/84/80/641778480.db2.gz YBWZKNDCRUAGQJ-UHFFFAOYSA-N 1 0 203.285 2.356 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000324413601 641831516 /nfs/dbraw/zinc/83/15/16/641831516.db2.gz QTSQVBXGDRAYPP-STQMWFEESA-N 1 0 224.392 2.495 10 0 BEAERO COC(=O)[C@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC000723557231 711516688 /nfs/dbraw/zinc/51/66/88/711516688.db2.gz KUUPKUGTMKXVSX-PWSUYJOCSA-N 1 0 239.359 2.164 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000233403919 642667217 /nfs/dbraw/zinc/66/72/17/642667217.db2.gz BMWCUJRJTIRAFO-BFHYXJOUSA-N 1 0 219.328 2.498 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CC(C)(C)C[C@@H]2C ZINC000233706912 642689544 /nfs/dbraw/zinc/68/95/44/642689544.db2.gz CGGJEOJHWBVSAN-MJVIPROJSA-N 1 0 239.359 2.211 10 0 BEAERO CC(=O)[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000070045992 642964237 /nfs/dbraw/zinc/96/42/37/642964237.db2.gz IVMAZOFDELBTEH-LBPRGKRZSA-N 1 0 218.300 2.195 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2=O)o1 ZINC000182579144 643030397 /nfs/dbraw/zinc/03/03/97/643030397.db2.gz PGUCFCBOHRUQNW-WDEREUQCSA-N 1 0 237.299 2.192 10 0 BEAERO CCC[C@@H]([NH3+])c1ncc(Br)cn1 ZINC000070948064 643086502 /nfs/dbraw/zinc/08/65/02/643086502.db2.gz ZKQBQNSHBBIIFX-SSDOTTSWSA-N 1 0 230.109 2.039 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccoc1 ZINC000252738533 643106888 /nfs/dbraw/zinc/10/68/88/643106888.db2.gz BVSANWJYIKVISR-OCCSQVGLSA-N 1 0 234.343 2.338 10 0 BEAERO C[C@H](C[NH2+]CC1CC1)N(C)C(=O)OC(C)(C)C ZINC000306615982 643197742 /nfs/dbraw/zinc/19/77/42/643197742.db2.gz BVTGHCROIMKPME-SNVBAGLBSA-N 1 0 242.363 2.241 10 0 BEAERO [NH3+][C@@H](CF)c1ccc(F)cc1OC(F)F ZINC000757136025 643277671 /nfs/dbraw/zinc/27/76/71/643277671.db2.gz YCLGKFZCOHWCSU-ZETCQYMHSA-N 1 0 223.169 2.396 10 0 BEAERO CC1(C)CCC[C@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757149076 643332798 /nfs/dbraw/zinc/33/27/98/643332798.db2.gz WFLCCVNJBZEJHH-AWEZNQCLSA-N 1 0 239.359 2.309 10 0 BEAERO CC1(C)C[C@@]2(CO1)[NH2+]CC1(CCCCC1)CO2 ZINC000757151979 643344121 /nfs/dbraw/zinc/34/41/21/643344121.db2.gz UMOSALUQYJYCFE-CQSZACIVSA-N 1 0 239.359 2.452 10 0 BEAERO COC(=O)/C=C1/C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000757190701 643363207 /nfs/dbraw/zinc/36/32/07/643363207.db2.gz BVIYJUYHSUABAO-UGMNDJHYSA-N 1 0 245.322 2.238 10 0 BEAERO CC(C)[C@@H]([NH3+])Cc1nc(CC(C)(C)C)no1 ZINC000082675334 643365196 /nfs/dbraw/zinc/36/51/96/643365196.db2.gz FOOMVOSOZSQUNK-VIFPVBQESA-N 1 0 225.336 2.184 10 0 BEAERO CCOC(=O)[C@@H]1CCC[NH2+][C@H]1c1ccsc1 ZINC000757211037 643370994 /nfs/dbraw/zinc/37/09/94/643370994.db2.gz FRMOFKRCLOPVPK-MNOVXSKESA-N 1 0 239.340 2.352 10 0 BEAERO CN(CCC[NH2+]C1CC1)Cc1ccccc1F ZINC000042436857 643507419 /nfs/dbraw/zinc/50/74/19/643507419.db2.gz AJEGOMQBFDIDFL-UHFFFAOYSA-N 1 0 236.334 2.400 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)c1nc(CC(C)(C)C)no1 ZINC000082675375 643522002 /nfs/dbraw/zinc/52/20/02/643522002.db2.gz WQYFBOCFIJMHBY-JGVFFNPUSA-N 1 0 211.309 2.109 10 0 BEAERO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2OC)c1 ZINC000049949001 643563999 /nfs/dbraw/zinc/56/39/99/643563999.db2.gz MEOOIAARTOASMB-KBPBESRZSA-N 1 0 235.327 2.352 10 0 BEAERO CCc1nc(C[NH2+][C@H]2CCC[C@@H]2OC)cs1 ZINC000049948601 643564965 /nfs/dbraw/zinc/56/49/65/643564965.db2.gz KCBJUIAGSXECAA-QWRGUYRKSA-N 1 0 240.372 2.363 10 0 BEAERO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CSC1 ZINC000307673683 643566555 /nfs/dbraw/zinc/56/65/55/643566555.db2.gz BECGZYSIFYLEFP-LBPRGKRZSA-N 1 0 205.326 2.379 10 0 BEAERO CC(C)OCCN(C)C1(C[NH3+])CCCCC1 ZINC000050088056 643590548 /nfs/dbraw/zinc/59/05/48/643590548.db2.gz YLMROABYSMDAPP-UHFFFAOYSA-N 1 0 228.380 2.005 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000049948944 643626077 /nfs/dbraw/zinc/62/60/77/643626077.db2.gz AOOZRLBONFLWIS-QWHCGFSZSA-N 1 0 223.291 2.483 10 0 BEAERO CC[C@H](C)c1noc(CC2([NH3+])CCC2)n1 ZINC000086852525 643640500 /nfs/dbraw/zinc/64/05/00/643640500.db2.gz BGXXUMWOANVTOK-QMMMGPOBSA-N 1 0 209.293 2.007 10 0 BEAERO CCc1cc(NC2CC(OC)C2)cc[nH+]1 ZINC000307779812 643648397 /nfs/dbraw/zinc/64/83/97/643648397.db2.gz XQJZJLDTRXABOA-UHFFFAOYSA-N 1 0 206.289 2.233 10 0 BEAERO CC[C@H](C)c1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305553 643658508 /nfs/dbraw/zinc/65/85/08/643658508.db2.gz IJQOKYWKBFYRIE-IVZWLZJFSA-N 1 0 223.320 2.426 10 0 BEAERO CCC(CC)NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301219 643658548 /nfs/dbraw/zinc/65/85/48/643658548.db2.gz ICKCQACGOHWOTG-PWSUYJOCSA-N 1 0 226.364 2.056 10 0 BEAERO CCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2OC)cn1 ZINC000050372273 643691064 /nfs/dbraw/zinc/69/10/64/643691064.db2.gz IRASWOMGXXDWSH-UHTWSYAYSA-N 1 0 237.347 2.121 10 0 BEAERO CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2OC)cn1 ZINC000050372275 643691638 /nfs/dbraw/zinc/69/16/38/643691638.db2.gz IRASWOMGXXDWSH-DRZSPHRISA-N 1 0 237.347 2.121 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCc1scnc1C ZINC000050372627 643692247 /nfs/dbraw/zinc/69/22/47/643692247.db2.gz ZYHBQIUEBACBFI-WDEREUQCSA-N 1 0 240.372 2.151 10 0 BEAERO CC[C@H](C)c1noc([C@@H]2CC[NH2+][C@@H]2C)n1 ZINC000086258825 643975605 /nfs/dbraw/zinc/97/56/05/643975605.db2.gz KMBHDOSTHQFRRD-DJLDLDEBSA-N 1 0 209.293 2.049 10 0 BEAERO CC(C)(C)Cc1noc(CC2([NH3+])CCC2)n1 ZINC000086852526 644191816 /nfs/dbraw/zinc/19/18/16/644191816.db2.gz UHUGARONICAYEE-UHFFFAOYSA-N 1 0 223.320 2.082 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H]1CCC=CO1 ZINC000193922944 644288447 /nfs/dbraw/zinc/28/84/47/644288447.db2.gz OLXKYYZDECEPKG-KGLIPLIRSA-N 1 0 238.375 2.095 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]1CCC=CO1 ZINC000193922995 644288554 /nfs/dbraw/zinc/28/85/54/644288554.db2.gz OLXKYYZDECEPKG-KBPBESRZSA-N 1 0 238.375 2.095 10 0 BEAERO CCc1nnc(C[NH+]2CCCCCCC2)n1C ZINC000195011676 644355872 /nfs/dbraw/zinc/35/58/72/644355872.db2.gz NFGWFVPWJQMBAB-UHFFFAOYSA-N 1 0 236.363 2.144 10 0 BEAERO CCCc1noc([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000084300345 644422681 /nfs/dbraw/zinc/42/26/81/644422681.db2.gz AVLXFZSUDBPBTA-NXEZZACHSA-N 1 0 223.320 2.255 10 0 BEAERO Cc1cscc1-c1nc([C@H](C)C[NH3+])no1 ZINC000086816893 644471254 /nfs/dbraw/zinc/47/12/54/644471254.db2.gz DJKVEZJTMYURFZ-ZCFIWIBFSA-N 1 0 223.301 2.169 10 0 BEAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2O)sc1C ZINC000087375894 644492749 /nfs/dbraw/zinc/49/27/49/644492749.db2.gz KSQNVUNULMYVCV-MNOVXSKESA-N 1 0 240.372 2.153 10 0 BEAERO CCCc1noc([C@H]2C[NH2+]Cc3ccccc32)n1 ZINC000087611711 644498414 /nfs/dbraw/zinc/49/84/14/644498414.db2.gz KCXAKZHDVGKKBP-LBPRGKRZSA-N 1 0 243.310 2.257 10 0 BEAERO CCOC(=O)/C=C/C[NH+](C(C)C)C(C)C ZINC000685946248 644517821 /nfs/dbraw/zinc/51/78/21/644517821.db2.gz GZJCVDSKTNBNEJ-BQYQJAHWSA-N 1 0 213.321 2.225 10 0 BEAERO C/C=C(\CC)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249115897 644715140 /nfs/dbraw/zinc/71/51/40/644715140.db2.gz RWMKVKZMMBBHDD-URFGDBDFSA-N 1 0 238.375 2.188 10 0 BEAERO FC(F)(F)CCc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000094492157 644719017 /nfs/dbraw/zinc/71/90/17/644719017.db2.gz IWPOBDKPVFXITD-ZETCQYMHSA-N 1 0 249.236 2.032 10 0 BEAERO COC(C[NH2+][C@@H](C)c1ccc(C)c(F)c1)OC ZINC000094837420 644731238 /nfs/dbraw/zinc/73/12/38/644731238.db2.gz FSLHQOUBWVFKQP-JTQLQIEISA-N 1 0 241.306 2.404 10 0 BEAERO CC(C)CC1(c2nc(CC[NH3+])no2)CCCC1 ZINC000094908507 644733364 /nfs/dbraw/zinc/73/33/64/644733364.db2.gz HIKTYJUAJVNCGP-UHFFFAOYSA-N 1 0 237.347 2.429 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1C ZINC000094996565 644735173 /nfs/dbraw/zinc/73/51/73/644735173.db2.gz TYFAFSRZMGIZIQ-GXTWGEPZSA-N 1 0 247.338 2.236 10 0 BEAERO C[C@@H](C[NH3+])c1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000251142307 644794806 /nfs/dbraw/zinc/79/48/06/644794806.db2.gz WNPUKNKMSRWZGX-AXTSPUMRSA-N 1 0 221.304 2.035 10 0 BEAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C ZINC000251183615 644797026 /nfs/dbraw/zinc/79/70/26/644797026.db2.gz WVISGEPPIIOBFH-OCCSQVGLSA-N 1 0 247.338 2.236 10 0 BEAERO C[C@H](C(N)=O)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000251526753 644807786 /nfs/dbraw/zinc/80/77/86/644807786.db2.gz LZERGYSUKJRHIJ-RKDXNWHRSA-N 1 0 240.734 2.207 10 0 BEAERO C[NH2+][C@H](C)CNc1ncnc2sc(C)cc21 ZINC000304250845 644882974 /nfs/dbraw/zinc/88/29/74/644882974.db2.gz HEGCAZODYVEUNT-SSDOTTSWSA-N 1 0 236.344 2.020 10 0 BEAERO C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCCSC1 ZINC000061588068 711839008 /nfs/dbraw/zinc/83/90/08/711839008.db2.gz UDLHJVDYUBVQLM-CHWSQXEVSA-N 1 0 242.432 2.346 10 0 BEAERO CC[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000128937310 711943737 /nfs/dbraw/zinc/94/37/37/711943737.db2.gz JGQICMOBSYYPSJ-NEPJUHHUSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1CCN(c2cc[nH+]cc2CO)C[C@@H]1C ZINC000132073559 711954708 /nfs/dbraw/zinc/95/47/08/711954708.db2.gz YYFLYPKAHCNZBR-MNOVXSKESA-N 1 0 220.316 2.056 10 0 BEAERO CC(C)(C)[C@@H]([NH3+])Cc1nc([C@@H]2CC23CC3)no1 ZINC000700429163 711994049 /nfs/dbraw/zinc/99/40/49/711994049.db2.gz RDBJSTUKPIWQHT-IUCAKERBSA-N 1 0 235.331 2.253 10 0 BEAERO Cc1cccc([C@H](O)C[N@@H+]2CC[C@H](F)C2)c1 ZINC000701713950 712027871 /nfs/dbraw/zinc/02/78/71/712027871.db2.gz RKVBDEBMYBPTGT-QWHCGFSZSA-N 1 0 223.291 2.072 10 0 BEAERO CC[C@@H](C[NH2+]C(C)(C)CO)CC(F)F ZINC000701468246 712024350 /nfs/dbraw/zinc/02/43/50/712024350.db2.gz PRQMNHNJFFJKHU-MRVPVSSYSA-N 1 0 209.280 2.028 10 0 BEAERO CSC1CC([NH2+]Cc2ccncc2C)C1 ZINC000706825213 712156715 /nfs/dbraw/zinc/15/67/15/712156715.db2.gz IKPPYEBCWRQCHQ-UHFFFAOYSA-N 1 0 222.357 2.374 10 0 BEAERO CCCn1nccc1C[NH2+]C1CC(SC)C1 ZINC000708299873 712185437 /nfs/dbraw/zinc/18/54/37/712185437.db2.gz HNFFGPAEUFJQIJ-UHFFFAOYSA-N 1 0 239.388 2.277 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709988428 712238140 /nfs/dbraw/zinc/23/81/40/712238140.db2.gz YXRCNGDRVYFPQC-HBNTYKKESA-N 1 0 207.321 2.259 10 0 BEAERO COc1cccnc1N(C)CCCCCC[NH3+] ZINC000710796970 712257599 /nfs/dbraw/zinc/25/75/99/712257599.db2.gz FABPRCMXCQRHGN-UHFFFAOYSA-N 1 0 237.347 2.046 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000714322061 712482002 /nfs/dbraw/zinc/48/20/02/712482002.db2.gz ZESMHKAMXZPXEV-AGIUHOORSA-N 1 0 241.375 2.179 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000714346293 712483491 /nfs/dbraw/zinc/48/34/91/712483491.db2.gz XRMVKIIMDSTLTR-VXGBXAGGSA-N 1 0 243.391 2.331 10 0 BEAERO CCC[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715482674 712520737 /nfs/dbraw/zinc/52/07/37/712520737.db2.gz IGTAPWJTHAFTQL-OUCADQQQSA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@@H]1CCCS1 ZINC000715832353 712533977 /nfs/dbraw/zinc/53/39/77/712533977.db2.gz KRUXGWZWGICXBJ-QWRGUYRKSA-N 1 0 231.405 2.269 10 0 BEAERO [NH3+]CCCCCC(=O)NCC1CCCCC1 ZINC000037259874 712560681 /nfs/dbraw/zinc/56/06/81/712560681.db2.gz PEFBQWLBYBFAEJ-UHFFFAOYSA-N 1 0 226.364 2.202 10 0 BEAERO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716686258 712570082 /nfs/dbraw/zinc/57/00/82/712570082.db2.gz WNEHRAXTDMDHKX-XKGSQUFQSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716685216 712570088 /nfs/dbraw/zinc/57/00/88/712570088.db2.gz RUEPUFJNBYPIOE-IGJPJIBNSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716685217 712570090 /nfs/dbraw/zinc/57/00/90/712570090.db2.gz RUEPUFJNBYPIOE-QCXCNERSSA-N 1 0 238.375 2.199 10 0 BEAERO CC1(C[N@@H+]2CC[C@@H](CCO)C2)CCCC1 ZINC000379855599 712617135 /nfs/dbraw/zinc/61/71/35/712617135.db2.gz BXNLDYXEUBDVDC-LBPRGKRZSA-N 1 0 211.349 2.271 10 0 BEAERO CC1(C[N@@H+]2CC[C@H](CCO)C2)CCCC1 ZINC000379855598 712617163 /nfs/dbraw/zinc/61/71/63/712617163.db2.gz BXNLDYXEUBDVDC-GFCCVEGCSA-N 1 0 211.349 2.271 10 0 BEAERO COC1CC([NH2+]Cc2cccnc2Cl)C1 ZINC000380155086 712700755 /nfs/dbraw/zinc/70/07/55/712700755.db2.gz YUIOAJNELXWLKS-UHFFFAOYSA-N 1 0 226.707 2.002 10 0 BEAERO C[C@H]1C[C@@H](O)C[N@H+](CCCC(C)(F)F)C1 ZINC000718704689 712777925 /nfs/dbraw/zinc/77/79/25/712777925.db2.gz ROJWRKNMGOWPAI-VHSXEESVSA-N 1 0 221.291 2.125 10 0 BEAERO COCC1CC([NH2+][C@H]2CCC[C@@H](OC)CC2)C1 ZINC000718811795 712783403 /nfs/dbraw/zinc/78/34/03/712783403.db2.gz PKQQBEMGRMNICL-GNRIBBGQSA-N 1 0 241.375 2.349 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000718861852 712786593 /nfs/dbraw/zinc/78/65/93/712786593.db2.gz TWLMSKISEPGSFG-RVMXOQNASA-N 1 0 227.348 2.101 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C[C@@H]1CNC(=O)C1 ZINC000719235952 712800562 /nfs/dbraw/zinc/80/05/62/712800562.db2.gz INQZWRCBWUYULL-VXGBXAGGSA-N 1 0 238.375 2.071 10 0 BEAERO CC(C)(C[NH2+][C@H]1CCCCCC1(C)C)C(N)=O ZINC000719223347 712800785 /nfs/dbraw/zinc/80/07/85/712800785.db2.gz QRJHWLNIRBDDHQ-NSHDSACASA-N 1 0 240.391 2.446 10 0 BEAERO CC(C)(C[NH2+][C@@H]1CCCCCC1(C)C)C(N)=O ZINC000719223345 712800828 /nfs/dbraw/zinc/80/08/28/712800828.db2.gz QRJHWLNIRBDDHQ-LLVKDONJSA-N 1 0 240.391 2.446 10 0 BEAERO CC1(C)CCCCC[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000719222818 712800902 /nfs/dbraw/zinc/80/09/02/712800902.db2.gz DGIPBTCXDQDYBO-TZMCWYRMSA-N 1 0 241.375 2.086 10 0 BEAERO Cc1cc(C[NH2+]C2(C(C)C)CC2)c(C)nn1 ZINC000720565735 712851424 /nfs/dbraw/zinc/85/14/24/712851424.db2.gz DLNBUFUDCKCQOP-UHFFFAOYSA-N 1 0 219.332 2.372 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1Nc1ncc(Cl)cc1F ZINC000721935997 710694603 /nfs/dbraw/zinc/69/46/03/710694603.db2.gz WHDYTFLXIAXIOP-SECBINFHSA-N 1 0 243.713 2.284 10 0 BEAERO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1CCCO ZINC000723116925 710726165 /nfs/dbraw/zinc/72/61/65/710726165.db2.gz WQFKEYKXQNUTHU-FRRDWIJNSA-N 1 0 211.349 2.269 10 0 BEAERO Cc1cnc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000724084991 710736241 /nfs/dbraw/zinc/73/62/41/710736241.db2.gz GSWBKRIFIQWGCF-ZIAGYGMSSA-N 1 0 247.386 2.176 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1Nc1ncccc1Cl ZINC000721900047 710691128 /nfs/dbraw/zinc/69/11/28/710691128.db2.gz SPWYPUOPEGRIJL-VIFPVBQESA-N 1 0 225.723 2.145 10 0 BEAERO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000134290145 711498444 /nfs/dbraw/zinc/49/84/44/711498444.db2.gz IYTZMLJZRSCLNN-BXKDBHETSA-N 1 0 237.347 2.036 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1C ZINC000723557229 711516889 /nfs/dbraw/zinc/51/68/89/711516889.db2.gz KUUPKUGTMKXVSX-CMPLNLGQSA-N 1 0 239.359 2.164 10 0 BEAERO Cc1c[nH+]ccc1N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723870045 711541131 /nfs/dbraw/zinc/54/11/31/711541131.db2.gz XBILHJZVWJJPDY-HIFRSBDPSA-N 1 0 246.354 2.429 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@H]1CCCOC1 ZINC000723991830 711551753 /nfs/dbraw/zinc/55/17/53/711551753.db2.gz BDLSAKGYTLYXGI-FQUUOJAGSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2CCCOCC2)c(C)c1 ZINC000724042101 711557588 /nfs/dbraw/zinc/55/75/88/711557588.db2.gz HUFGDOSUDBGRAA-CYBMUJFWSA-N 1 0 234.343 2.357 10 0 BEAERO Cc1cnc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)c(C)c1 ZINC000724071875 711559115 /nfs/dbraw/zinc/55/91/15/711559115.db2.gz FBPYDDUBKYUGII-ZIAGYGMSSA-N 1 0 245.370 2.058 10 0 BEAERO Cc1cnc(C[NH2+][C@H]2COCC2(C)C)c(C)c1 ZINC000724074399 711559178 /nfs/dbraw/zinc/55/91/78/711559178.db2.gz YOVRSSMPXOMXFE-ZDUSSCGKSA-N 1 0 234.343 2.213 10 0 BEAERO CC[C@@H]1C[C@@H]([NH2+]Cc2ncc(C)cc2C)CO1 ZINC000724098706 711560478 /nfs/dbraw/zinc/56/04/78/711560478.db2.gz UMAPZKOACBITCS-CHWSQXEVSA-N 1 0 234.343 2.356 10 0 BEAERO Cc1cnc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(C)c1 ZINC000724094892 711560543 /nfs/dbraw/zinc/56/05/43/711560543.db2.gz CQVBSEOWAMUISB-UKRRQHHQSA-N 1 0 246.354 2.356 10 0 BEAERO CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724305222 711573916 /nfs/dbraw/zinc/57/39/16/711573916.db2.gz WLFUWUAYMRODHY-ITGHMWBKSA-N 1 0 241.375 2.205 10 0 BEAERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ncc(C)o2)C1 ZINC000309941504 711701547 /nfs/dbraw/zinc/70/15/47/711701547.db2.gz BUESIIWGWMIWLY-GMTAPVOTSA-N 1 0 224.304 2.201 10 0 BEAERO Cc1cccc(Cc2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158530 711766224 /nfs/dbraw/zinc/76/62/24/711766224.db2.gz HCGTXEVZADBJPJ-SNVBAGLBSA-N 1 0 231.299 2.031 10 0 BEAERO Cc1cc2c(ncnc2N[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000721859242 711791763 /nfs/dbraw/zinc/79/17/63/711791763.db2.gz GNOAJLLARGFKBZ-GMSGAONNSA-N 1 0 248.355 2.020 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000721859127 711791795 /nfs/dbraw/zinc/79/17/95/711791795.db2.gz SKOVWXUOBIEKQV-VXNVDRBHSA-N 1 0 245.248 2.120 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1cccc(C(F)(F)F)n1 ZINC000721859189 711791806 /nfs/dbraw/zinc/79/18/06/711791806.db2.gz ULGHEYPNXZLPEL-HTQZYQBOSA-N 1 0 245.248 2.120 10 0 BEAERO [NH3+]CC[C@@H]1CCN(c2ccc3ccccc3n2)C1 ZINC000125456495 711794299 /nfs/dbraw/zinc/79/42/99/711794299.db2.gz GOORQMCTZHWXFY-GFCCVEGCSA-N 1 0 241.338 2.410 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2ccoc2)C1 ZINC000228277475 711834433 /nfs/dbraw/zinc/83/44/33/711834433.db2.gz YWZJFIGLAITSNQ-WCQYABFASA-N 1 0 222.332 2.098 10 0 BEAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCCSC1 ZINC000061588147 711839127 /nfs/dbraw/zinc/83/91/27/711839127.db2.gz MJZAIMVKMCPHAS-OLZOCXBDSA-N 1 0 244.448 2.448 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1Nc1nc2ccccc2s1 ZINC000721979776 711856367 /nfs/dbraw/zinc/85/63/67/711856367.db2.gz BQIVTRWSYKVMHS-PSASIEDQSA-N 1 0 233.340 2.316 10 0 BEAERO C[C@H]1CN(c2cc[nH+]cc2CO)CC[C@@H]1C ZINC000132073698 711954742 /nfs/dbraw/zinc/95/47/42/711954742.db2.gz YYFLYPKAHCNZBR-QWRGUYRKSA-N 1 0 220.316 2.056 10 0 BEAERO C[C@@]1(C(F)(F)F)CC[N@H+](CC2(O)CCC2)C1 ZINC000709024960 711976576 /nfs/dbraw/zinc/97/65/76/711976576.db2.gz DFNPVLULSLFQJZ-SECBINFHSA-N 1 0 237.265 2.176 10 0 BEAERO CSc1ccc(-c2cnn(CC[NH3+])c2)cc1 ZINC000701036752 712013038 /nfs/dbraw/zinc/01/30/38/712013038.db2.gz BVIMTUIDKIVPHS-UHFFFAOYSA-N 1 0 233.340 2.231 10 0 BEAERO Cc1cccc([C@H](O)C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000701713948 712027738 /nfs/dbraw/zinc/02/77/38/712027738.db2.gz RKVBDEBMYBPTGT-CHWSQXEVSA-N 1 0 223.291 2.072 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCSC(C)(C)C ZINC000705331307 712129069 /nfs/dbraw/zinc/12/90/69/712129069.db2.gz IAGLAVBLWPYFQG-GHMZBOCLSA-N 1 0 231.405 2.363 10 0 BEAERO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCCC12CC2 ZINC000706613757 712151230 /nfs/dbraw/zinc/15/12/30/712151230.db2.gz HCLPOHIAKMTXHF-NWDGAFQWSA-N 1 0 211.349 2.316 10 0 BEAERO CSC1CC([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000706926834 712161425 /nfs/dbraw/zinc/16/14/25/712161425.db2.gz CQACAYZNGXIUSA-XKGSQUFQSA-N 1 0 229.389 2.428 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000708426687 712193953 /nfs/dbraw/zinc/19/39/53/712193953.db2.gz NMNUYFUQJLFPMF-CHWSQXEVSA-N 1 0 239.359 2.103 10 0 BEAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1Cl)C2 ZINC000709798279 712227365 /nfs/dbraw/zinc/22/73/65/712227365.db2.gz HAMDCYNPBQJIJJ-AEJSXWLSSA-N 1 0 237.734 2.051 10 0 BEAERO Cc1cnc(C)c(N(C)CCCCCC[NH3+])n1 ZINC000710798708 712257524 /nfs/dbraw/zinc/25/75/24/712257524.db2.gz NOJQHBVNZUGMLF-UHFFFAOYSA-N 1 0 236.363 2.049 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710670321 712265698 /nfs/dbraw/zinc/26/56/98/712265698.db2.gz KTNFCNLVGVJTTJ-PWSUYJOCSA-N 1 0 240.372 2.093 10 0 BEAERO CC1(C)C[NH2+]C[C@@H]1c1nc(CC2CCC2)no1 ZINC000711091359 712279736 /nfs/dbraw/zinc/27/97/36/712279736.db2.gz TWMABNRKWBZKAS-SNVBAGLBSA-N 1 0 235.331 2.125 10 0 BEAERO CCN(CC)c1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000060481708 712282422 /nfs/dbraw/zinc/28/24/22/712282422.db2.gz IYLBJRGFKPEQOA-LLVKDONJSA-N 1 0 249.358 2.079 10 0 BEAERO C[C@](O)(C[N@@H+]1CC[C@H](CF)C1)c1ccccc1 ZINC000711466156 712302197 /nfs/dbraw/zinc/30/21/97/712302197.db2.gz DYSBBPQKKXPZSO-OCCSQVGLSA-N 1 0 237.318 2.186 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC000378710435 712358351 /nfs/dbraw/zinc/35/83/51/712358351.db2.gz SUCGGMPTQBNURV-ZWNOBZJWSA-N 1 0 223.291 2.423 10 0 BEAERO CC(C)[C@H]([NH3+])Cc1nc(CC2CCCC2)no1 ZINC000379112473 712369732 /nfs/dbraw/zinc/36/97/32/712369732.db2.gz VLWQXHAYKULLOJ-LLVKDONJSA-N 1 0 237.347 2.328 10 0 BEAERO CC(C)c1nn(C)cc1-c1ncc(C[NH3+])s1 ZINC000718821679 712387734 /nfs/dbraw/zinc/38/77/34/712387734.db2.gz ACDWKGYARKALBC-UHFFFAOYSA-N 1 0 236.344 2.126 10 0 BEAERO C[C@H]([NH2+][C@H]1COc2ccccc21)[C@@H]1CCCO1 ZINC000379765558 712398081 /nfs/dbraw/zinc/39/80/81/712398081.db2.gz IHNWKWIMOKRYGR-DRZSPHRISA-N 1 0 233.311 2.277 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C)CC(C)(C)C1 ZINC000712556774 712445017 /nfs/dbraw/zinc/44/50/17/712445017.db2.gz KRVGKNAEKJULEO-JHJVBQTASA-N 1 0 224.392 2.495 10 0 BEAERO Cc1ccnc(N(C)C2(C[NH3+])CCCCC2)c1 ZINC000713370030 712459494 /nfs/dbraw/zinc/45/94/94/712459494.db2.gz FBWTUOKIMHMCGC-UHFFFAOYSA-N 1 0 233.359 2.488 10 0 BEAERO C=C/C=C\CC[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000713748920 712471089 /nfs/dbraw/zinc/47/10/89/712471089.db2.gz SPAMVGNHRFMPCW-RXNFCKPNSA-N 1 0 223.316 2.004 10 0 BEAERO CCc1nc(C[NH2+]C2CC(COC)C2)cs1 ZINC000713931994 712473727 /nfs/dbraw/zinc/47/37/27/712473727.db2.gz WJMXOHIENCTKNL-UHFFFAOYSA-N 1 0 240.372 2.220 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000713936236 712474096 /nfs/dbraw/zinc/47/40/96/712474096.db2.gz VYTIJMVTYZMZEN-ZBOXLXRLSA-N 1 0 235.327 2.468 10 0 BEAERO COCC1CC([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000713953817 712474796 /nfs/dbraw/zinc/47/47/96/712474796.db2.gz UPXBOYMQPMCEEY-UHFFFAOYSA-N 1 0 239.290 2.046 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(COC)C2)C1(C)C ZINC000713959528 712475040 /nfs/dbraw/zinc/47/50/40/712475040.db2.gz MUVYCWPPYOQAAG-IFWUJCSASA-N 1 0 241.375 2.205 10 0 BEAERO CCO[C@H]1C[C@H]([NH2+]C2CC(COC)C2)C1(C)C ZINC000713959533 712475060 /nfs/dbraw/zinc/47/50/60/712475060.db2.gz MUVYCWPPYOQAAG-TYUFSLCMSA-N 1 0 241.375 2.205 10 0 BEAERO COCC1CC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000713983912 712476063 /nfs/dbraw/zinc/47/60/63/712476063.db2.gz GYAIZUOIZMNNCJ-VNAIHZQWSA-N 1 0 209.333 2.047 10 0 BEAERO COCC1CC([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000713984604 712476119 /nfs/dbraw/zinc/47/61/19/712476119.db2.gz JURWHBIQUVZGGV-UHFFFAOYSA-N 1 0 245.326 2.078 10 0 BEAERO COCC1CC([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000713978852 712476154 /nfs/dbraw/zinc/47/61/54/712476154.db2.gz OAGNYVCOSOEIHF-UBHUBRDASA-N 1 0 246.354 2.474 10 0 BEAERO COCC1CC([NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000713985455 712476585 /nfs/dbraw/zinc/47/65/85/712476585.db2.gz PDMUFZWSBSGVPJ-XNWIYYODSA-N 1 0 217.740 2.161 10 0 BEAERO COCC1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000713996305 712476871 /nfs/dbraw/zinc/47/68/71/712476871.db2.gz RYTYZMGZYZZHEU-UHFFFAOYSA-N 1 0 240.734 2.250 10 0 BEAERO COCC1CC([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000714005531 712477135 /nfs/dbraw/zinc/47/71/35/712477135.db2.gz DBZQEJVFBXDULW-HTAVTVPLSA-N 1 0 229.389 2.287 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2cncs2)C1 ZINC000714007741 712477509 /nfs/dbraw/zinc/47/75/09/712477509.db2.gz OEJUNHWUUMLCAB-IDKOKCKLSA-N 1 0 226.345 2.219 10 0 BEAERO CCC1([NH3+])CCN([C@@H](C)c2cncs2)CC1 ZINC000714759582 712497685 /nfs/dbraw/zinc/49/76/85/712497685.db2.gz VBKUUGQUOOURIO-JTQLQIEISA-N 1 0 239.388 2.407 10 0 BEAERO CCC1([NH3+])CCN([C@@H](C)c2cccnc2)CC1 ZINC000714756197 712498007 /nfs/dbraw/zinc/49/80/07/712498007.db2.gz BCISUPQFWPDPJP-LBPRGKRZSA-N 1 0 233.359 2.346 10 0 BEAERO Cc1cc(C(C)C)nc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715094474 712508527 /nfs/dbraw/zinc/50/85/27/712508527.db2.gz VWMDWZJPQCTOFR-XYPYZODXSA-N 1 0 234.347 2.058 10 0 BEAERO Cc1cc2c(ncnc2NC[C@H]2C[C@H]([NH3+])C2)s1 ZINC000715108488 712509575 /nfs/dbraw/zinc/50/95/75/712509575.db2.gz FWSAQMGHXJSILS-KYZUINATSA-N 1 0 248.355 2.149 10 0 BEAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715535694 712526729 /nfs/dbraw/zinc/52/67/29/712526729.db2.gz QVQCNOSAPNEUOB-ASEORRQLSA-N 1 0 223.360 2.268 10 0 BEAERO CCCC[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715841221 712532911 /nfs/dbraw/zinc/53/29/11/712532911.db2.gz HVSUKOPBLYORNP-UWVGGRQHSA-N 1 0 210.325 2.044 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)CC1CCCC1)c1cn(C)nn1 ZINC000715874238 712537967 /nfs/dbraw/zinc/53/79/67/712537967.db2.gz DWMDEXUOLXPVAD-WDEREUQCSA-N 1 0 236.363 2.435 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876953 712538620 /nfs/dbraw/zinc/53/86/20/712538620.db2.gz JBWUSDJZVOKVRG-GXSJLCMTSA-N 1 0 222.336 2.044 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1cn(C)nn1 ZINC000715921442 712542591 /nfs/dbraw/zinc/54/25/91/712542591.db2.gz LHIGZQLOMHSYLX-WCFLWFBJSA-N 1 0 242.326 2.022 10 0 BEAERO Cc1cc(C)cc([C@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716722406 712570758 /nfs/dbraw/zinc/57/07/58/712570758.db2.gz JCOCJWYNMKBFFA-XGNXJENSSA-N 1 0 246.354 2.218 10 0 BEAERO CC(C)c1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716724217 712571167 /nfs/dbraw/zinc/57/11/67/712571167.db2.gz TVTZAANETZCZKV-UHFFFAOYSA-N 1 0 246.354 2.164 10 0 BEAERO C[C@@H](CCCC[NH3+])Nc1cncc(Cl)n1 ZINC000379817048 712611633 /nfs/dbraw/zinc/61/16/33/712611633.db2.gz RVKUTYSEPYWNFL-QMMMGPOBSA-N 1 0 228.727 2.059 10 0 BEAERO Cc1c(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cnn1C ZINC000717087571 712630234 /nfs/dbraw/zinc/63/02/34/712630234.db2.gz GOHLHIBCDMQEIN-OBJOEFQTSA-N 1 0 233.359 2.254 10 0 BEAERO COC(C[NH2+][C@@H](C)c1cccc(C)c1)OC ZINC000037473131 712644300 /nfs/dbraw/zinc/64/43/00/712644300.db2.gz YSZGBMHSTGKUJP-NSHDSACASA-N 1 0 223.316 2.265 10 0 BEAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000380063443 712684458 /nfs/dbraw/zinc/68/44/58/712684458.db2.gz BJUHHCLIEZZDQA-UTUOFQBUSA-N 1 0 209.333 2.191 10 0 BEAERO [NH3+]C[C@H]1CCCCN1CCSC(F)(F)F ZINC000123491767 712693792 /nfs/dbraw/zinc/69/37/92/712693792.db2.gz RBJGAFYJRPKEBD-MRVPVSSYSA-N 1 0 242.310 2.053 10 0 BEAERO C(COC1CC1)[NH2+]C1(C2CCC2)CCC1 ZINC000717885352 712731442 /nfs/dbraw/zinc/73/14/42/712731442.db2.gz PVSJJWFRBUJGRP-UHFFFAOYSA-N 1 0 209.333 2.478 10 0 BEAERO O[C@H]1CCC[C@@H](C[NH2+]C2(C3CC3)CCC2)C1 ZINC000717885783 712731482 /nfs/dbraw/zinc/73/14/82/712731482.db2.gz XMDDPYOUMSFWHS-YPMHNXCESA-N 1 0 223.360 2.460 10 0 BEAERO Cc1c(C[NH2+]C2CCC=CCC2)cnn1C ZINC000718080272 712741482 /nfs/dbraw/zinc/74/14/82/712741482.db2.gz YVYHTEJJXJRULW-UHFFFAOYSA-N 1 0 219.332 2.317 10 0 BEAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCC(C)(F)F ZINC000718686602 712777261 /nfs/dbraw/zinc/77/72/61/712777261.db2.gz IAGVCMDBXFOCBJ-UWVGGRQHSA-N 1 0 221.291 2.267 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000718786745 712783153 /nfs/dbraw/zinc/78/31/53/712783153.db2.gz HFTDMZJTUXBXKG-REWJHTLYSA-N 1 0 241.375 2.227 10 0 BEAERO C[C@H](CCC[NH3+])Nc1ccnc2ncccc12 ZINC000718931649 712788614 /nfs/dbraw/zinc/78/86/14/712788614.db2.gz ZVBHAUOEVJHNCT-SNVBAGLBSA-N 1 0 230.315 2.169 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccnc2ncccc12 ZINC000718981384 712790925 /nfs/dbraw/zinc/79/09/25/712790925.db2.gz JDSVMILPNWJWHS-JQWIXIFHSA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCC=CCCC1 ZINC000718973434 712791170 /nfs/dbraw/zinc/79/11/70/712791170.db2.gz WEHVXRWPEFAKPF-STQMWFEESA-N 1 0 236.359 2.073 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccnc2ncccc12 ZINC000718989840 712792988 /nfs/dbraw/zinc/79/29/88/712792988.db2.gz PQVHSUFJVMUMEF-ZJUUUORDSA-N 1 0 230.315 2.168 10 0 BEAERO CC(C)(CO)[NH2+]Cc1nc2ccccc2s1 ZINC000037977670 712793726 /nfs/dbraw/zinc/79/37/26/712793726.db2.gz CKFDBNVYCKHTIY-UHFFFAOYSA-N 1 0 236.340 2.157 10 0 BEAERO Cc1ncc(C[NH2+]CC[C@H]2CCCO2)s1 ZINC000037991372 712796396 /nfs/dbraw/zinc/79/63/96/712796396.db2.gz UKHIXVMMSJZIBM-SNVBAGLBSA-N 1 0 226.345 2.110 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000719224410 712800892 /nfs/dbraw/zinc/80/08/92/712800892.db2.gz HLTGRUUNAQQKTD-OLZOCXBDSA-N 1 0 241.375 2.350 10 0 BEAERO CC(=O)NCCC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719278247 712803134 /nfs/dbraw/zinc/80/31/34/712803134.db2.gz XPRNRJWKPSZWEM-CYBMUJFWSA-N 1 0 240.391 2.461 10 0 BEAERO OC[C@@H]([NH2+]CCc1ccns1)c1ccccc1 ZINC000719894019 712826792 /nfs/dbraw/zinc/82/67/92/712826792.db2.gz AVMJHQJZKGHECA-CYBMUJFWSA-N 1 0 248.351 2.009 10 0 BEAERO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)c1cn(C)nn1 ZINC000720591571 712855839 /nfs/dbraw/zinc/85/58/39/712855839.db2.gz PHFLAFQBWKVFEO-RHYQMDGZSA-N 1 0 236.363 2.290 10 0 BEAERO C[C@H]([NH2+][C@@H]1C=CCCCCC1)c1cn(C)nn1 ZINC000720595221 712856666 /nfs/dbraw/zinc/85/66/66/712856666.db2.gz JUIUYZXMRBPONE-NWDGAFQWSA-N 1 0 234.347 2.355 10 0 BEAERO CC(C)c1noc([C@@H]2C[NH2+]C[C@H]2C(F)(F)F)n1 ZINC000720664443 712860834 /nfs/dbraw/zinc/86/08/34/712860834.db2.gz AYKRCRSAULYDFV-RNFRBKRXSA-N 1 0 249.236 2.058 10 0 BEAERO C[NH2+]CCN(c1nc2ccccc2n1C)C(C)C ZINC000720801429 712866442 /nfs/dbraw/zinc/86/64/42/712866442.db2.gz UOKZWQCHLFGFMJ-UHFFFAOYSA-N 1 0 246.358 2.008 10 0 BEAERO CC[C@H](C)c1noc(CC(C)(C)C[NH3+])n1 ZINC000720854302 712870497 /nfs/dbraw/zinc/87/04/97/712870497.db2.gz YZPNVEBKHCQOIG-QMMMGPOBSA-N 1 0 211.309 2.111 10 0 BEAERO C[C@H](C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)C(C)(C)C ZINC000720932641 712880177 /nfs/dbraw/zinc/88/01/77/712880177.db2.gz WPTAARIXFWXDNM-UPJWGTAASA-N 1 0 224.392 2.495 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1nccc2occc21 ZINC000721026760 712887095 /nfs/dbraw/zinc/88/70/95/712887095.db2.gz HKOUWBZOAGCVNB-GHMZBOCLSA-N 1 0 245.326 2.485 10 0 BEAERO OCC1([NH2+]CCSC(F)(F)F)CCCC1 ZINC000123363469 962337241 /nfs/dbraw/zinc/33/72/41/962337241.db2.gz PTGBMCMZWOVKOD-UHFFFAOYSA-N 1 0 243.294 2.134 10 0 BEAERO CCOCCCC[NH2+]Cc1ccc(C)cn1 ZINC000134092136 1167827008 /nfs/dbraw/zinc/82/70/08/1167827008.db2.gz ARYQGMXHJSXHLR-UHFFFAOYSA-N 1 0 222.332 2.296 10 0 BEAERO CC(=O)NCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000135841024 1168769746 /nfs/dbraw/zinc/76/97/46/1168769746.db2.gz UBSXCKLUHLYOJI-LBPRGKRZSA-N 1 0 226.364 2.071 10 0 BEAERO C[NH2+]CCCCC(=O)Nc1ccccc1F ZINC000204962286 970807900 /nfs/dbraw/zinc/80/79/00/970807900.db2.gz HHMIJSNWFWKYBP-UHFFFAOYSA-N 1 0 224.279 2.154 10 0 BEAERO C[C@H]1CCC[C@@H]([N@H+](C)CN2CCOC2=S)C1 ZINC000124599071 960746718 /nfs/dbraw/zinc/74/67/18/960746718.db2.gz BFOPEMZMJMBCAG-WDEREUQCSA-N 1 0 242.388 2.072 10 0 BEAERO Fc1ccc(CC[NH2+]CCN2CCCC2)cc1 ZINC000041626075 1171189680 /nfs/dbraw/zinc/18/96/80/1171189680.db2.gz CDQACBPFGWNQCT-UHFFFAOYSA-N 1 0 236.334 2.054 10 0 BEAERO COc1ccccc1C[NH2+]C[C@H]1CCCCN1C ZINC000044561933 1171393370 /nfs/dbraw/zinc/39/33/70/1171393370.db2.gz IZZPCQATYGBOLA-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO COc1cccc(C[NH2+]C[C@H]2CCCCN2C)c1 ZINC000044562184 1171399330 /nfs/dbraw/zinc/39/93/30/1171399330.db2.gz MNTSUELPSZBJCD-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CC[C@H]1CCCC[N@@H+]1Cc1cccnc1N ZINC000052719331 1171983319 /nfs/dbraw/zinc/98/33/19/1171983319.db2.gz JJJYRXWRNMNCDU-LBPRGKRZSA-N 1 0 219.332 2.428 10 0 BEAERO Cc1cc(C)cc(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000041303752 177912806 /nfs/dbraw/zinc/91/28/06/177912806.db2.gz MDLZGJHTKURSPA-AWEZNQCLSA-N 1 0 249.354 2.451 10 0 BEAERO CC[N@@H+]1CCC(=O)[C@]12C[C@H](C)CC[C@@H]2C ZINC000685955094 538900242 /nfs/dbraw/zinc/90/02/42/538900242.db2.gz SUYQGVMPHXQSPK-NTZNESFSSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H](COCC(F)(F)C[NH3+])C1CCC1 ZINC000685955390 538901179 /nfs/dbraw/zinc/90/11/79/538901179.db2.gz DAJPTDDOHAHNOC-QMMMGPOBSA-N 1 0 207.264 2.033 10 0 BEAERO C[C@@H]1CCCC[C@H]1OCC(F)(F)C[NH3+] ZINC000685956498 538902631 /nfs/dbraw/zinc/90/26/31/538902631.db2.gz VOGUYJIVHGPBRE-RKDXNWHRSA-N 1 0 207.264 2.176 10 0 BEAERO Cc1nc(C(Cl)(Cl)Cl)ncc1C[NH3+] ZINC000685959206 538906750 /nfs/dbraw/zinc/90/67/50/538906750.db2.gz KSSSXZHANVVVMK-UHFFFAOYSA-N 1 0 240.521 2.070 10 0 BEAERO CC(C)[C@@]1(CO)C[C@H]1C[NH+]1CCCCC1 ZINC000685961340 538907967 /nfs/dbraw/zinc/90/79/67/538907967.db2.gz QRKBBUAEFZICFX-STQMWFEESA-N 1 0 211.349 2.127 10 0 BEAERO CC(C)[C@@]1(CO)C[C@@H]1C[NH+]1CCC(C)CC1 ZINC000685961175 538908254 /nfs/dbraw/zinc/90/82/54/538908254.db2.gz PBTMDGMUVIUFLM-KGLIPLIRSA-N 1 0 225.376 2.373 10 0 BEAERO CCCC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685961365 538908600 /nfs/dbraw/zinc/90/86/00/538908600.db2.gz HDHRTZUEDDHLJU-SMDDNHRTSA-N 1 0 235.327 2.288 10 0 BEAERO OC[C@@H](CC[NH2+]Cc1ccccc1)C1CC1 ZINC000685963561 538910372 /nfs/dbraw/zinc/91/03/72/538910372.db2.gz SGPVPNHGWYKCBQ-CQSZACIVSA-N 1 0 219.328 2.185 10 0 BEAERO C=C(OCC)c1ccc([C@@H](C)[NH2+]C)nc1 ZINC000685965094 538911329 /nfs/dbraw/zinc/91/13/29/538911329.db2.gz OTOKRPBAHPSIOX-SECBINFHSA-N 1 0 206.289 2.369 10 0 BEAERO CC(C)c1cccc([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965364 538911701 /nfs/dbraw/zinc/91/17/01/538911701.db2.gz BDRAOLJIMOXIGA-KGLIPLIRSA-N 1 0 218.344 2.214 10 0 BEAERO CC(C)c1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685965886 538912455 /nfs/dbraw/zinc/91/24/55/538912455.db2.gz XXUKHTJOCHAUOP-KGLIPLIRSA-N 1 0 218.344 2.214 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000378693995 346809417 /nfs/dbraw/zinc/80/94/17/346809417.db2.gz KDASVDATUQJTTP-UNJBNNCHSA-N 1 0 222.376 2.247 10 0 BEAERO CCC(CC)(C[NH3+])C[N@H+](CCOC)CC(C)C ZINC000051251277 168323019 /nfs/dbraw/zinc/32/30/19/168323019.db2.gz ZYVZZLPWFZGJQV-UHFFFAOYSA-N 1 0 244.423 2.356 10 0 BEAERO CCC(CC)(C[NH3+])C(=O)N[C@H](C)CC1CC1 ZINC000069666008 168323512 /nfs/dbraw/zinc/32/35/12/168323512.db2.gz VYOAVRXEZJGYMS-SNVBAGLBSA-N 1 0 226.364 2.056 10 0 BEAERO CCC(CC)(C[NH3+])NC(=O)C[C@@H](C)C(C)C ZINC000236753277 168324723 /nfs/dbraw/zinc/32/47/23/168324723.db2.gz PJVBLKZJIFRKAZ-LLVKDONJSA-N 1 0 228.380 2.302 10 0 BEAERO C[NH2+]C[C@H](F)Cc1cccc(Cl)c1 ZINC000257894000 349487240 /nfs/dbraw/zinc/48/72/40/349487240.db2.gz UXDHQMXBQJUAQN-SNVBAGLBSA-N 1 0 201.672 2.440 10 0 BEAERO c1n[nH]cc1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000616612178 349476628 /nfs/dbraw/zinc/47/66/28/349476628.db2.gz UZKRTWMGIUCCJM-CYBMUJFWSA-N 1 0 227.311 2.399 10 0 BEAERO CCC(CC)(CO)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000116347788 168329650 /nfs/dbraw/zinc/32/96/50/168329650.db2.gz UEBPZEWLSNFGEK-UHFFFAOYSA-N 1 0 247.342 2.204 10 0 BEAERO Cc1cc(C[NH2+]CCc2c[nH]cn2)ccc1F ZINC000083359986 178021885 /nfs/dbraw/zinc/02/18/85/178021885.db2.gz DJAJSMMHLPPXGW-UHFFFAOYSA-N 1 0 233.290 2.190 10 0 BEAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)ccc1F ZINC000089160707 178022155 /nfs/dbraw/zinc/02/21/55/178022155.db2.gz IZMPZBWWAHWMKQ-JSGCOSHPSA-N 1 0 237.318 2.385 10 0 BEAERO Cc1cc(C[NH2+]Cc2ccco2)ccc1N ZINC000040407632 178026486 /nfs/dbraw/zinc/02/64/86/178026486.db2.gz ZIVUEQDNPSTXFR-UHFFFAOYSA-N 1 0 216.284 2.460 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2O)cs1 ZINC000294083586 178033387 /nfs/dbraw/zinc/03/33/87/178033387.db2.gz ALWJXWJGJUWCQI-MNOVXSKESA-N 1 0 211.330 2.060 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCO[C@H]2C)cs1 ZINC000285817400 178040666 /nfs/dbraw/zinc/04/06/66/178040666.db2.gz HTYKYMDNYLVUTJ-ONGXEEELSA-N 1 0 211.330 2.324 10 0 BEAERO [NH3+][C@@]1(c2nccs2)CCCSCC1 ZINC000575517345 398177452 /nfs/dbraw/zinc/17/74/52/398177452.db2.gz DTKKFFJCBDGMJR-VIFPVBQESA-N 1 0 214.359 2.214 10 0 BEAERO Cc1cc(COc2cccc(C[C@H](C)[NH3+])c2)on1 ZINC000037726569 178049081 /nfs/dbraw/zinc/04/90/81/178049081.db2.gz IEDPPUOSIULLFB-JTQLQIEISA-N 1 0 246.310 2.452 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000301012732 349515879 /nfs/dbraw/zinc/51/58/79/349515879.db2.gz XYLNBSYGJPXAQM-GMTAPVOTSA-N 1 0 233.302 2.315 10 0 BEAERO Cc1cc(Cl)cc(C)c1OCC(N)=[NH2+] ZINC000055364112 178063954 /nfs/dbraw/zinc/06/39/54/178063954.db2.gz POVQIRDKUDYCFP-UHFFFAOYSA-N 1 0 212.680 2.272 10 0 BEAERO Cc1cc(Cl)cc2c1OC[C@@H](C[NH3+])C2 ZINC000082964528 178065043 /nfs/dbraw/zinc/06/50/43/178065043.db2.gz WVXRRUHDHQDSJK-MRVPVSSYSA-N 1 0 211.692 2.158 10 0 BEAERO Cc1cc(Cl)cc2c1OC[C@H](C[NH3+])C2 ZINC000096870302 178065317 /nfs/dbraw/zinc/06/53/17/178065317.db2.gz WVXRRUHDHQDSJK-QMMMGPOBSA-N 1 0 211.692 2.158 10 0 BEAERO Cc1cc(Cl)cn2cc([C@@H](C)[NH3+])nc12 ZINC000076793167 178070605 /nfs/dbraw/zinc/07/06/05/178070605.db2.gz BKEZQOVHYSSDDA-SSDOTTSWSA-N 1 0 209.680 2.316 10 0 BEAERO Cc1cc(Cl)nc(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000095068929 178070927 /nfs/dbraw/zinc/07/09/27/178070927.db2.gz VAYSACOMRISDFR-BDAKNGLRSA-N 1 0 240.738 2.120 10 0 BEAERO CCC(CC)C(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019482461 168337776 /nfs/dbraw/zinc/33/77/76/168337776.db2.gz OROOEAZCDMJLHE-GFCCVEGCSA-N 1 0 226.364 2.071 10 0 BEAERO CC1CCC(Cn2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000380108826 398187194 /nfs/dbraw/zinc/18/71/94/398187194.db2.gz ZARJWOCSVLHWRX-UHFFFAOYSA-N 1 0 236.363 2.298 10 0 BEAERO Cc1nn(-c2ccc(F)cc2C)c(C)c1C[NH3+] ZINC000104423889 178080601 /nfs/dbraw/zinc/08/06/01/178080601.db2.gz UDBARHORJDHVBL-UHFFFAOYSA-N 1 0 233.290 2.395 10 0 BEAERO Cc1cc(F)ccc1O[C@@H](C[NH3+])C(F)(F)F ZINC000095751183 178090742 /nfs/dbraw/zinc/09/07/42/178090742.db2.gz FRYFIAJURZHJFN-VIFPVBQESA-N 1 0 237.196 2.403 10 0 BEAERO Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)C1CC1 ZINC000050578403 178092252 /nfs/dbraw/zinc/09/22/52/178092252.db2.gz ULCMZRXQXPPMAX-CYBMUJFWSA-N 1 0 222.307 2.228 10 0 BEAERO Cc1cc(N2CCCOCC2)ccc1C[C@H](C)[NH3+] ZINC000104265691 178115040 /nfs/dbraw/zinc/11/50/40/178115040.db2.gz RCTBXALDMLBYRP-ZDUSSCGKSA-N 1 0 248.370 2.111 10 0 BEAERO Cc1cc(N(C)C)ccc1N[C@H]1CC[N@H+](C)C1 ZINC000061985060 178095998 /nfs/dbraw/zinc/09/59/98/178095998.db2.gz XYVMZEUJMLIHIM-LBPRGKRZSA-N 1 0 233.359 2.177 10 0 BEAERO Cc1cc(N(C)[C@@H]2CCC[NH2+]C2)nc(C(C)C)n1 ZINC000104362852 178100330 /nfs/dbraw/zinc/10/03/30/178100330.db2.gz RLJPQUYQQNAEJN-GFCCVEGCSA-N 1 0 248.374 2.097 10 0 BEAERO CC(C)Cn1ccc([C@@H]2[NH2+]C[C@@]23CCOC3)c1 ZINC000536961361 398199928 /nfs/dbraw/zinc/19/99/28/398199928.db2.gz ZOZMXYBQIFZRHL-UONOGXRCSA-N 1 0 234.343 2.195 10 0 BEAERO Cc1cc(N)ccc1N(C)C1CC[NH+](C)CC1 ZINC000036950061 178104916 /nfs/dbraw/zinc/10/49/16/178104916.db2.gz FBIPDGBKEHXGMX-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO Cc1cc(N)ccc1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000037909682 178105278 /nfs/dbraw/zinc/10/52/78/178105278.db2.gz DIGZPIWTUCIOTM-LLVKDONJSA-N 1 0 247.342 2.000 10 0 BEAERO Cc1cc(N)ccc1NC(=O)[C@H](C)[NH+]1CCCC1 ZINC000022153272 178105608 /nfs/dbraw/zinc/10/56/08/178105608.db2.gz KQGKJHKVGKOGJX-NSHDSACASA-N 1 0 247.342 2.000 10 0 BEAERO [NH3+]C[C@H](c1ccccc1F)C1(CO)CCC1 ZINC000536954026 398197901 /nfs/dbraw/zinc/19/79/01/398197901.db2.gz NDTNVUMVHICTMQ-LLVKDONJSA-N 1 0 223.291 2.031 10 0 BEAERO CC(C)(C)OC(=O)c1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC000536954433 398197959 /nfs/dbraw/zinc/19/79/59/398197959.db2.gz UPKBMFUMVLWEAC-LBPRGKRZSA-N 1 0 233.311 2.068 10 0 BEAERO Cc1cc(N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1F ZINC000061118425 178117532 /nfs/dbraw/zinc/11/75/32/178117532.db2.gz OPFWKOGCJQIIFY-WDEREUQCSA-N 1 0 222.307 2.450 10 0 BEAERO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)ccc1F ZINC000061118407 178119641 /nfs/dbraw/zinc/11/96/41/178119641.db2.gz UJDOBHYVIXWIRC-MFKMUULPSA-N 1 0 222.307 2.308 10 0 BEAERO [NH3+]Cc1cc(F)cc(C[NH+]2CCCCC2)c1 ZINC000162815360 538925102 /nfs/dbraw/zinc/92/51/02/538925102.db2.gz AQKIPJHEXZWDPM-UHFFFAOYSA-N 1 0 222.307 2.270 10 0 BEAERO COc1csc([C@H]([NH3+])c2ccc[nH]2)c1 ZINC000306815644 398206371 /nfs/dbraw/zinc/20/63/71/398206371.db2.gz CWKVNIKBFICTTK-SNVBAGLBSA-N 1 0 208.286 2.133 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000380774520 398207997 /nfs/dbraw/zinc/20/79/97/398207997.db2.gz ZSFGUHZPQBMSPA-RYUDHWBXSA-N 1 0 226.364 2.008 10 0 BEAERO Cc1cc(NC2CC[NH2+]CC2)ccc1F ZINC000061116860 178154656 /nfs/dbraw/zinc/15/46/56/178154656.db2.gz CPJBGJIENKBFMD-UHFFFAOYSA-N 1 0 208.280 2.298 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC12CCCCC2 ZINC000387103816 398225713 /nfs/dbraw/zinc/22/57/13/398225713.db2.gz GAOBDLHOCCBOGY-VXGBXAGGSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H]1Cc2ncn(C[C@@H]3CCC[N@@H+]3C)c2C[C@H]1C ZINC000386808677 398220320 /nfs/dbraw/zinc/22/03/20/398220320.db2.gz DDDWXXUPXSWYMI-UPJWGTAASA-N 1 0 247.386 2.348 10 0 BEAERO Cc1cn2c(n1)CC[C@@H](Nc1cc[nH+]c(C)c1)C2 ZINC000302772400 178183426 /nfs/dbraw/zinc/18/34/26/178183426.db2.gz NLGGAXFHOHTQQM-CYBMUJFWSA-N 1 0 242.326 2.322 10 0 BEAERO Cc1cc(O[C@H](C)C[NH3+])ccc1Br ZINC000011946878 178213674 /nfs/dbraw/zinc/21/36/74/178213674.db2.gz VRGYUOIUXWDCRV-MRVPVSSYSA-N 1 0 244.132 2.484 10 0 BEAERO Cc1cc(Oc2ccc(C[NH3+])cc2)ncn1 ZINC000011849407 178214074 /nfs/dbraw/zinc/21/40/74/178214074.db2.gz HXCJARABHOVJJO-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1cc(OCC[NH3+])cc(C)c1Br ZINC000011945860 178211007 /nfs/dbraw/zinc/21/10/07/178211007.db2.gz JQYBSJIYMTZMKC-UHFFFAOYSA-N 1 0 244.132 2.403 10 0 BEAERO C[C@@H]1Cc2c(Br)cccc2C[NH2+]1 ZINC000070821221 361772889 /nfs/dbraw/zinc/77/28/89/361772889.db2.gz ZKJLUSRXAJZBBM-SSDOTTSWSA-N 1 0 226.117 2.483 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@H]1c1ncc(Cl)s1 ZINC000223244843 398232782 /nfs/dbraw/zinc/23/27/82/398232782.db2.gz VFMPBQKSYPOQCO-WDSKDSINSA-N 1 0 202.710 2.119 10 0 BEAERO CCC(CC)CNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000083379060 168354361 /nfs/dbraw/zinc/35/43/61/168354361.db2.gz FIVZDWABZUSHSY-UHFFFAOYSA-N 1 0 248.370 2.240 10 0 BEAERO Cc1cc([C@@H](C)[NH2+]CCCn2ccnn2)c(C)o1 ZINC000126466903 178225290 /nfs/dbraw/zinc/22/52/90/178225290.db2.gz UGLHNPBIUBMZQV-LLVKDONJSA-N 1 0 248.330 2.229 10 0 BEAERO [NH3+]Cc1cc(F)ccc1OCC(F)(F)F ZINC000037237045 361763147 /nfs/dbraw/zinc/76/31/47/361763147.db2.gz PXKNKLLTNUFMPS-UHFFFAOYSA-N 1 0 223.169 2.226 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)no1 ZINC000279555601 178253592 /nfs/dbraw/zinc/25/35/92/178253592.db2.gz JSVSHTWPZAVFRZ-JBLDHEPKSA-N 1 0 224.304 2.201 10 0 BEAERO Cc1cc([C@@H](C[NH3+])N(C)C2CC2)ccc1F ZINC000050545968 178236106 /nfs/dbraw/zinc/23/61/06/178236106.db2.gz IYZIEGFCHDLFDA-CYBMUJFWSA-N 1 0 222.307 2.228 10 0 BEAERO Cc1ccc(NC2=[NH+]CCN2)cc1Cl ZINC000165682949 538936785 /nfs/dbraw/zinc/93/67/85/538936785.db2.gz OAECVLYURDCEQO-UHFFFAOYSA-N 1 0 209.680 2.020 10 0 BEAERO Cc1cc([C@@H]2C[C@H]([NH3+])CCO2)ccc1F ZINC000069851111 178242638 /nfs/dbraw/zinc/24/26/38/178242638.db2.gz UAXHVPSUMCBJSS-PWSUYJOCSA-N 1 0 209.264 2.313 10 0 BEAERO COC(=O)CCC[NH2+]Cc1ccc(Cl)cc1 ZINC000037249880 361787137 /nfs/dbraw/zinc/78/71/37/361787137.db2.gz BYVGMKBVDILTJU-UHFFFAOYSA-N 1 0 241.718 2.383 10 0 BEAERO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)no1 ZINC000279555600 178258105 /nfs/dbraw/zinc/25/81/05/178258105.db2.gz JSVSHTWPZAVFRZ-HOSYDEDBSA-N 1 0 224.304 2.201 10 0 BEAERO Cc1cc([C@H](C[NH3+])N(C)C(C)C)ccc1F ZINC000050545837 178261495 /nfs/dbraw/zinc/26/14/95/178261495.db2.gz GXMSSENEPBCPHC-ZDUSSCGKSA-N 1 0 224.323 2.474 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000336775721 398237979 /nfs/dbraw/zinc/23/79/79/398237979.db2.gz ZUJBQMXSZWRNJF-AGIUHOORSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1cc([C@H](O)C[NH2+]C(C)C)ccc1F ZINC000049814984 178264587 /nfs/dbraw/zinc/26/45/87/178264587.db2.gz ASPYOLGHBRUEJU-GFCCVEGCSA-N 1 0 211.280 2.166 10 0 BEAERO CCC(CC)C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000125038546 168360779 /nfs/dbraw/zinc/36/07/79/168360779.db2.gz SMZWXWLHANZNTQ-YGRLFVJLSA-N 1 0 219.394 2.169 10 0 BEAERO Cc1cc([C@H]2C[NH2+]C[C@@H](C)O2)ccc1F ZINC000071511631 178269089 /nfs/dbraw/zinc/26/90/89/178269089.db2.gz BCCVFHCMWPWVCT-BXKDBHETSA-N 1 0 209.264 2.184 10 0 BEAERO Cc1cc2c(ncnc2NC[C@@H]([NH3+])C2CC2)s1 ZINC000104317010 178280920 /nfs/dbraw/zinc/28/09/20/178280920.db2.gz VWVXVDYQSXWBKM-SNVBAGLBSA-N 1 0 248.355 2.149 10 0 BEAERO CC1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000138403866 538940112 /nfs/dbraw/zinc/94/01/12/538940112.db2.gz PXCARINTRZVKOQ-UHFFFAOYSA-N 1 0 227.348 2.483 10 0 BEAERO C[C@@H]1CNCC[N@@H+]1[C@@H]1CCCC(C)(C)C1 ZINC000167030292 538940245 /nfs/dbraw/zinc/94/02/45/538940245.db2.gz QQESJMNFQLXOOG-VXGBXAGGSA-N 1 0 210.365 2.249 10 0 BEAERO Cc1cc2ccccc2nc1N1CCC[NH2+]CC1 ZINC000063105167 178299430 /nfs/dbraw/zinc/29/94/30/178299430.db2.gz TXLPGEAJGRBHJE-UHFFFAOYSA-N 1 0 241.338 2.343 10 0 BEAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3C[C@@H]3C)c(C)n2n1 ZINC000052272212 178303934 /nfs/dbraw/zinc/30/39/34/178303934.db2.gz ADFDGYDYQJDGJJ-GMOODISLSA-N 1 0 244.342 2.405 10 0 BEAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3C[C@H]3C)c(C)n2n1 ZINC000249800827 178303980 /nfs/dbraw/zinc/30/39/80/178303980.db2.gz ADFDGYDYQJDGJJ-DFAYQTQMSA-N 1 0 244.342 2.405 10 0 BEAERO Cc1ccc(-c2c[nH]c([C@@H](C)[NH3+])n2)s1 ZINC000036872135 178317360 /nfs/dbraw/zinc/31/73/60/178317360.db2.gz RCAIBIZDCJZOJQ-SSDOTTSWSA-N 1 0 207.302 2.466 10 0 BEAERO CC[C@H](C)[C@H](C[NH2+]CC[C@@H]1CCCO1)OC ZINC000381282520 398253143 /nfs/dbraw/zinc/25/31/43/398253143.db2.gz LMROPJQFOUBIAS-AVGNSLFASA-N 1 0 229.364 2.206 10 0 BEAERO CCC(CC)N(C)C(=O)C[NH2+]C1CCCC1 ZINC000037482235 168367518 /nfs/dbraw/zinc/36/75/18/168367518.db2.gz MVBIHMMVUCARIP-UHFFFAOYSA-N 1 0 226.364 2.166 10 0 BEAERO Cc1[nH]c(C[NH3+])nc1-c1ccc(C)cc1 ZINC000036870958 178334505 /nfs/dbraw/zinc/33/45/05/178334505.db2.gz UQGDDYBREKRDBN-UHFFFAOYSA-N 1 0 201.273 2.152 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000040502174 343996487 /nfs/dbraw/zinc/99/64/87/343996487.db2.gz NBMFTUNBKDOAIX-QWHCGFSZSA-N 1 0 212.381 2.495 10 0 BEAERO Cc1ccc(Br)cc1NCC[NH3+] ZINC000083256472 178362346 /nfs/dbraw/zinc/36/23/46/178362346.db2.gz PQECHZLSAIUBAQ-UHFFFAOYSA-N 1 0 229.121 2.128 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)C(C)C ZINC000040502847 343999047 /nfs/dbraw/zinc/99/90/47/343999047.db2.gz ODMVJBNCHUGKBC-OLZOCXBDSA-N 1 0 212.381 2.495 10 0 BEAERO CCC(CC)[N@H+](CCO)[C@@H]1CCCCC[C@@H]1O ZINC000088764437 168374000 /nfs/dbraw/zinc/37/40/00/168374000.db2.gz YMMWYCHCPADXIK-KGLIPLIRSA-N 1 0 243.391 2.163 10 0 BEAERO C[N@H+](C[C@@H]1CCCCC1(F)F)C1CC[NH2+]CC1 ZINC000381667195 398269260 /nfs/dbraw/zinc/26/92/60/398269260.db2.gz KPCPQYSMBQCZSQ-NSHDSACASA-N 1 0 246.345 2.496 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@H](CN)CC(C)C ZINC000042615055 168376469 /nfs/dbraw/zinc/37/64/69/168376469.db2.gz IHYQESSMKZMEEO-AWEZNQCLSA-N 1 0 244.423 2.497 10 0 BEAERO COC(=O)c1csc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000602538831 349604661 /nfs/dbraw/zinc/60/46/61/349604661.db2.gz COSBMMKXVXBKII-OIBJUYFYSA-N 1 0 225.313 2.033 10 0 BEAERO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000035690586 178421519 /nfs/dbraw/zinc/42/15/19/178421519.db2.gz IIEYMPWXWXYYEY-JSGCOSHPSA-N 1 0 246.354 2.255 10 0 BEAERO CCC(CC)NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000049285532 168377485 /nfs/dbraw/zinc/37/74/85/168377485.db2.gz NDQMZWTYKAEZLB-DGCLKSJQSA-N 1 0 240.391 2.460 10 0 BEAERO C[NH2+][C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381769527 398271448 /nfs/dbraw/zinc/27/14/48/398271448.db2.gz YEWGKMSTPHZLEB-QWRGUYRKSA-N 1 0 232.318 2.106 10 0 BEAERO CCC(CC)(C[NH2+][C@@H]1CCCC[C@H]1O)OC ZINC000378909992 346858195 /nfs/dbraw/zinc/85/81/95/346858195.db2.gz PWWGCBRSJYJYOL-VXGBXAGGSA-N 1 0 229.364 2.085 10 0 BEAERO COc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2n1 ZINC000000007594 342669729 /nfs/dbraw/zinc/66/97/29/342669729.db2.gz QKCLEYVZSSGGTD-UHFFFAOYSA-N 1 0 245.326 2.381 10 0 BEAERO CO[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022374 342693645 /nfs/dbraw/zinc/69/36/45/342693645.db2.gz JYDRVHZVBOYBFQ-OIBJUYFYSA-N 1 0 244.132 2.484 10 0 BEAERO Cc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000083372510 398278235 /nfs/dbraw/zinc/27/82/35/398278235.db2.gz QVGZQHBGPGWPHG-UHFFFAOYSA-N 1 0 244.260 2.423 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccnc1 ZINC000037165868 538961830 /nfs/dbraw/zinc/96/18/30/538961830.db2.gz FMSCPHGAKLLGHZ-UHTWSYAYSA-N 1 0 220.316 2.036 10 0 BEAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccncc1 ZINC000038095447 538964607 /nfs/dbraw/zinc/96/46/07/538964607.db2.gz XRXBRUZHESUUMI-DGCLKSJQSA-N 1 0 220.316 2.301 10 0 BEAERO Clc1ccc2c(c1N1CCC1)CC[NH2+]CC2 ZINC000118293213 342737733 /nfs/dbraw/zinc/73/77/33/342737733.db2.gz FMSWWXKEWQHWFI-UHFFFAOYSA-N 1 0 236.746 2.238 10 0 BEAERO Cc1ccc2c(c1)C(=O)[C@H](CC[NH+](C)C)C2 ZINC000138095420 342756649 /nfs/dbraw/zinc/75/66/49/342756649.db2.gz JGJKXBUEWCJKFK-GFCCVEGCSA-N 1 0 217.312 2.302 10 0 BEAERO [NH3+]CC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000083557782 398284029 /nfs/dbraw/zinc/28/40/29/398284029.db2.gz LYFUIXHKEAPARI-SECBINFHSA-N 1 0 219.206 2.088 10 0 BEAERO CCc1ccc(-c2cc(N)[nH+]c(N)c2)cc1 ZINC000146230338 342768056 /nfs/dbraw/zinc/76/80/56/342768056.db2.gz MIFMREOWZGRROJ-UHFFFAOYSA-N 1 0 213.284 2.475 10 0 BEAERO CC[C@H]([NH3+])C(=O)c1ccc(Cl)cc1F ZINC000226542753 342773124 /nfs/dbraw/zinc/77/31/24/342773124.db2.gz WKPRHJMJEGJGNF-VIFPVBQESA-N 1 0 215.655 2.399 10 0 BEAERO [NH3+][C@@H](CCC(F)(F)F)c1ccncc1 ZINC000070917663 361885252 /nfs/dbraw/zinc/88/52/52/361885252.db2.gz MRXDGEQTPDEAAJ-QMMMGPOBSA-N 1 0 204.195 2.424 10 0 BEAERO [NH3+][C@@H](CCC(F)(F)F)c1cccnc1 ZINC000070917655 361885368 /nfs/dbraw/zinc/88/53/68/361885368.db2.gz KFRLVSGLEPKNEB-QMMMGPOBSA-N 1 0 204.195 2.424 10 0 BEAERO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[NH2+]2 ZINC000002534402 342784290 /nfs/dbraw/zinc/78/42/90/342784290.db2.gz DXESFJJJWBHLJX-OWYVNGRQSA-N 1 0 217.312 2.204 10 0 in-vitro BEAERO Cc1[nH]c(N)[nH+]c1-c1ccc(C(F)F)nc1 ZINC000148071108 342786830 /nfs/dbraw/zinc/78/68/30/342786830.db2.gz AQOMBFSBXXIXOI-UHFFFAOYSA-N 1 0 224.214 2.300 10 0 BEAERO C[C@H]1c2ccccc2C[C@@H]1[NH+]1CCOCC1 ZINC000150153942 342797675 /nfs/dbraw/zinc/79/76/75/342797675.db2.gz KPJZLIJJCUHHGC-FZMZJTMJSA-N 1 0 217.312 2.047 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cc(C)ccc1Cl ZINC000232211607 342799168 /nfs/dbraw/zinc/79/91/68/342799168.db2.gz ZOBGAAAKLVDYOS-MRVPVSSYSA-N 1 0 226.707 2.195 10 0 BEAERO Cc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)cc1C ZINC000011630729 178445866 /nfs/dbraw/zinc/44/58/66/178445866.db2.gz SYRFPAVWCVVIFQ-CYBMUJFWSA-N 1 0 217.312 2.486 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)o1 ZINC000040671995 538972910 /nfs/dbraw/zinc/97/29/10/538972910.db2.gz WHWCZUQIGAHLJN-VXGBXAGGSA-N 1 0 222.332 2.333 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccsc1 ZINC000085535172 488181772 /nfs/dbraw/zinc/18/17/72/488181772.db2.gz CMXQRYFIAXCEAU-SCZZXKLOSA-N 1 0 224.329 2.062 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000378798942 538974201 /nfs/dbraw/zinc/97/42/01/538974201.db2.gz SCGAWAVYBCHGSI-YVECIDJPSA-N 1 0 229.339 2.408 10 0 BEAERO CCC(CC)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000308905638 168394363 /nfs/dbraw/zinc/39/43/63/168394363.db2.gz CKPMHOVWQJNDKM-JTQLQIEISA-N 1 0 207.321 2.045 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCCN(C)C1)C(C)(C)C ZINC000380324020 538988963 /nfs/dbraw/zinc/98/89/63/538988963.db2.gz LJJMPVWVPSVXTL-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCN(C)C1)C(C)(C)C ZINC000380324019 538988975 /nfs/dbraw/zinc/98/89/75/538988975.db2.gz LJJMPVWVPSVXTL-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO C[N@@H+]1CCC=C[C@H]1C[C@@H](O)c1ccccc1 ZINC000138415801 342839276 /nfs/dbraw/zinc/83/92/76/342839276.db2.gz GWPTZCOGIWPPRH-UONOGXRCSA-N 1 0 217.312 2.370 10 0 BEAERO CC[C@]1([NH2+]C[C@H]2Cc3ccccc32)CCOC1 ZINC000383244709 539011490 /nfs/dbraw/zinc/01/14/90/539011490.db2.gz PVEXENULSBHTQK-HIFRSBDPSA-N 1 0 231.339 2.485 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192547768 538995590 /nfs/dbraw/zinc/99/55/90/538995590.db2.gz CSBNUAKHAAXIRB-WCBMZHEXSA-N 1 0 248.351 2.098 10 0 BEAERO Cc1ccsc1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000226587934 342843305 /nfs/dbraw/zinc/84/33/05/342843305.db2.gz RXQLRRCYGBSEGW-VIFPVBQESA-N 1 0 241.381 2.334 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000390642057 539026714 /nfs/dbraw/zinc/02/67/14/539026714.db2.gz NCZPFQDKRYSXLR-RNWYCLNJSA-N 1 0 241.400 2.284 10 0 BEAERO C[C@H]1CSCC[N@@H+]1[C@@H]1CCCCCC1=O ZINC000069761251 342839716 /nfs/dbraw/zinc/83/97/16/342839716.db2.gz PTDABVQXBKVNPG-WDEREUQCSA-N 1 0 227.373 2.326 10 0 BEAERO NC(=[NH2+])Sc1cccc(Br)c1 ZINC000069763823 342839749 /nfs/dbraw/zinc/83/97/49/342839749.db2.gz YMSPYYBMDKXEJQ-UHFFFAOYSA-N 1 0 231.118 2.435 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000389600850 539016857 /nfs/dbraw/zinc/01/68/57/539016857.db2.gz UKUFMJMILKFGGC-HZMBPMFUSA-N 1 0 201.313 2.399 10 0 BEAERO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000390000888 539019730 /nfs/dbraw/zinc/01/97/30/539019730.db2.gz SUKZYLFVWOIXJK-UPJWGTAASA-N 1 0 211.349 2.314 10 0 BEAERO CC(C)CC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000392021201 398300994 /nfs/dbraw/zinc/30/09/94/398300994.db2.gz XTRKUSILQBVBHA-GFCCVEGCSA-N 1 0 240.391 2.302 10 0 BEAERO CCNC(=[NH2+])[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000233492050 342868391 /nfs/dbraw/zinc/86/83/91/342868391.db2.gz GJVNEHWJKZAJDN-RNJXMRFFSA-N 1 0 218.391 2.199 10 0 BEAERO C[C@@H](CC[NH2+]Cc1ccc(Cl)o1)[S@@](C)=O ZINC000132555324 398306570 /nfs/dbraw/zinc/30/65/70/398306570.db2.gz GELIQLGGVLODBO-AYVTZFPOSA-N 1 0 249.763 2.180 10 0 BEAERO C[C@@H]1C[C@H](C)SC(NCC(F)F)=[NH+]1 ZINC000165036947 342871121 /nfs/dbraw/zinc/87/11/21/342871121.db2.gz CLMUOGVXBDPENI-RITPCOANSA-N 1 0 208.277 2.111 10 0 BEAERO [NH3+][C@@H]1CCCN(c2sccc2Cl)C1 ZINC000229947152 342858379 /nfs/dbraw/zinc/85/83/79/342858379.db2.gz IYYJOMRSRCZWSC-SSDOTTSWSA-N 1 0 216.737 2.329 10 0 BEAERO [NH3+][C@@H]1CC=C(C(=O)c2sccc2Cl)C1 ZINC000229957667 342860349 /nfs/dbraw/zinc/86/03/49/342860349.db2.gz DLDZFYCTEBOGGC-RNFRBKRXSA-N 1 0 227.716 2.488 10 0 BEAERO C[C@H]1CCN(Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000038812869 342894462 /nfs/dbraw/zinc/89/44/62/342894462.db2.gz MRPBFWSFSJAPRS-JSGCOSHPSA-N 1 0 218.344 2.246 10 0 BEAERO CCS[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000233858844 342891743 /nfs/dbraw/zinc/89/17/43/342891743.db2.gz CBSRFJITOTVQQK-KKOKHZNYSA-N 1 0 229.389 2.164 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000233390190 342901529 /nfs/dbraw/zinc/90/15/29/342901529.db2.gz GFEYTXOHENWTLC-GXTWGEPZSA-N 1 0 246.354 2.106 10 0 BEAERO CC[C@@]([NH3+])(CO)c1cccc(Br)c1 ZINC000233962166 342914748 /nfs/dbraw/zinc/91/47/48/342914748.db2.gz KTGDULBUGCBYHX-SNVBAGLBSA-N 1 0 244.132 2.005 10 0 BEAERO CC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000173757772 346873084 /nfs/dbraw/zinc/87/30/84/346873084.db2.gz BEMXGWBWSVXCLE-MNOVXSKESA-N 1 0 240.372 2.441 10 0 BEAERO CCc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000234160075 342917209 /nfs/dbraw/zinc/91/72/09/342917209.db2.gz BDHYIKXLRKRZQV-CABZTGNLSA-N 1 0 224.373 2.090 10 0 BEAERO CCC(CC)[C@H](CN)[N@H+](CCOC)CC(C)C ZINC000042368151 168407250 /nfs/dbraw/zinc/40/72/50/168407250.db2.gz DCOLHDHBBZLFSB-AWEZNQCLSA-N 1 0 244.423 2.354 10 0 BEAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)CO ZINC000222876951 259330446 /nfs/dbraw/zinc/33/04/46/259330446.db2.gz OVEVDEOBJBFKSD-VOAKCMCISA-N 1 0 213.365 2.418 10 0 BEAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000162351674 349653324 /nfs/dbraw/zinc/65/33/24/349653324.db2.gz QLVZRKKPHBFAPF-ZYHUDNBSSA-N 1 0 236.363 2.275 10 0 BEAERO CCCCSC[C@@H](O)C[NH+](CC)CC ZINC000196063428 346882045 /nfs/dbraw/zinc/88/20/45/346882045.db2.gz MTEDLOKDRBEAQR-NSHDSACASA-N 1 0 219.394 2.222 10 0 BEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000392950146 398336333 /nfs/dbraw/zinc/33/63/33/398336333.db2.gz UKNHGNGDQHXWAU-NDBYEHHHSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@@H]([NH3+])c1cnc(-c2ccccn2)s1 ZINC000011760733 398338268 /nfs/dbraw/zinc/33/82/68/398338268.db2.gz KUKAKSPTAZEROC-SSDOTTSWSA-N 1 0 205.286 2.225 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)CCc2ccco2)c1 ZINC000123954910 398338634 /nfs/dbraw/zinc/33/86/34/398338634.db2.gz VTTNFDZXORNFFA-CYBMUJFWSA-N 1 0 247.342 2.395 10 0 BEAERO CC(C)(C)c1ccc(C[C@H]2C[NH2+]CCN2)cc1 ZINC000071536508 259331946 /nfs/dbraw/zinc/33/19/46/259331946.db2.gz OUDGNZXSKMKMNO-AWEZNQCLSA-N 1 0 232.371 2.088 10 0 BEAERO O=c1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc[nH]1 ZINC000392802254 398335384 /nfs/dbraw/zinc/33/53/84/398335384.db2.gz RTKPOLRSLQTMAS-QJPTWQEYSA-N 1 0 218.300 2.065 10 0 BEAERO COc1cccc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000037988573 398335529 /nfs/dbraw/zinc/33/55/29/398335529.db2.gz HSNNRHYTJQCILF-CYBMUJFWSA-N 1 0 235.327 2.354 10 0 BEAERO CCC1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000335803673 398342816 /nfs/dbraw/zinc/34/28/16/398342816.db2.gz WJZWFBOHOASTLB-YWPUVAFDSA-N 1 0 238.375 2.212 10 0 BEAERO C[C@H]([NH3+])c1ccc(-c2cnn(C)c2)cc1F ZINC000142105228 398343755 /nfs/dbraw/zinc/34/37/55/398343755.db2.gz UTMUBOCMTDZOJA-QMMMGPOBSA-N 1 0 219.263 2.246 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1C ZINC000300308535 398344729 /nfs/dbraw/zinc/34/47/29/398344729.db2.gz MIDXFUSDXUQSQY-HZSPNIEDSA-N 1 0 243.391 2.190 10 0 BEAERO [NH3+][C@@H]1CCc2cc(Cl)cc(Cl)c2[C@@H]1O ZINC000019795451 342957964 /nfs/dbraw/zinc/95/79/64/342957964.db2.gz PUWWJJCITBSBLX-PSASIEDQSA-N 1 0 232.110 2.300 10 0 BEAERO Cc1ccc(C)c(COC[C@H]2CC[NH2+]C2)c1 ZINC000051888523 178475941 /nfs/dbraw/zinc/47/59/41/178475941.db2.gz ZCEZRAHTNOWVLE-ZDUSSCGKSA-N 1 0 219.328 2.430 10 0 BEAERO Cc1c([C@@H](C)[NH3+])cnn1Cc1ccccc1 ZINC000020216610 342977532 /nfs/dbraw/zinc/97/75/32/342977532.db2.gz MXEJTQKVWQUKPU-SNVBAGLBSA-N 1 0 215.300 2.260 10 0 BEAERO Clc1csc(OCC2CC[NH2+]CC2)n1 ZINC000165380440 342990173 /nfs/dbraw/zinc/99/01/73/342990173.db2.gz IYFISFCATILTMD-UHFFFAOYSA-N 1 0 232.736 2.175 10 0 BEAERO COc1ccc2c(c1)[C@H](CCC[NH3+])CC2 ZINC000036404988 342992135 /nfs/dbraw/zinc/99/21/35/342992135.db2.gz LNDQKZFRUXQGLH-SNVBAGLBSA-N 1 0 205.301 2.464 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000042579475 343000210 /nfs/dbraw/zinc/00/02/10/343000210.db2.gz UOTSBMJNWFOBOV-VXGBXAGGSA-N 1 0 240.391 2.460 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000019424394 343073051 /nfs/dbraw/zinc/07/30/51/343073051.db2.gz NYJBZGDIBRHACS-NTZNESFSSA-N 1 0 234.343 2.237 10 0 BEAERO C[C@@H](O)CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000119003327 343065654 /nfs/dbraw/zinc/06/56/54/343065654.db2.gz UTGRKRDAOUNQRP-VHSXEESVSA-N 1 0 213.346 2.040 10 0 BEAERO Nc1ccc2cc(C[NH+]3CCCC3)cnc2c1 ZINC000139719259 343066969 /nfs/dbraw/zinc/06/69/69/343066969.db2.gz KWGYVDVOBSJZMR-UHFFFAOYSA-N 1 0 227.311 2.413 10 0 BEAERO Cc1ccc([C@H]([NH3+])CO)c2ccccc12 ZINC000072197898 343068528 /nfs/dbraw/zinc/06/85/28/343068528.db2.gz ZUFNUADQSMXNHT-CYBMUJFWSA-N 1 0 201.269 2.140 10 0 BEAERO CC1(C)CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400515010 343078965 /nfs/dbraw/zinc/07/89/65/343078965.db2.gz VHLJMELUPZNHJO-UHFFFAOYSA-N 1 0 219.332 2.351 10 0 BEAERO Cc1ccc(C)c(OC[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000052665617 178490511 /nfs/dbraw/zinc/49/05/11/178490511.db2.gz BMPLRQFKUAINEC-OLZOCXBDSA-N 1 0 235.327 2.189 10 0 BEAERO CNc1c(N)c[nH+]c2c(C)c(Cl)ccc12 ZINC000584881835 343083240 /nfs/dbraw/zinc/08/32/40/343083240.db2.gz CWYSZORMJVWKEF-UHFFFAOYSA-N 1 0 221.691 2.242 10 0 BEAERO CC(C)c1nc2c(ccc(F)c2C[NH3+])[nH]1 ZINC000584882021 343083299 /nfs/dbraw/zinc/08/32/99/343083299.db2.gz XRNPVBHSSRQOJM-UHFFFAOYSA-N 1 0 207.252 2.284 10 0 BEAERO CNc1c(N)c[nH+]c2ccc(C3CC3)cc21 ZINC000584882129 343084213 /nfs/dbraw/zinc/08/42/13/343084213.db2.gz ODIBBFHIWRFOOJ-UHFFFAOYSA-N 1 0 213.284 2.158 10 0 BEAERO CCN(CC)c1ccc2[nH+]cc(N)c(N)c2c1 ZINC000584882141 343084248 /nfs/dbraw/zinc/08/42/48/343084248.db2.gz OUACWHAZGBVEJH-UHFFFAOYSA-N 1 0 230.315 2.076 10 0 BEAERO CCC1([NH+]2CCNCC2)CCC2(CC2)CC1 ZINC000584882602 343085146 /nfs/dbraw/zinc/08/51/46/343085146.db2.gz PZCQEYKHUGLWRK-UHFFFAOYSA-N 1 0 222.376 2.395 10 0 BEAERO CCC1([NH+]2CCNCC2)CCC(F)(F)CC1 ZINC000584882522 343085226 /nfs/dbraw/zinc/08/52/26/343085226.db2.gz MTULBXFWCDNSAZ-UHFFFAOYSA-N 1 0 232.318 2.250 10 0 BEAERO CCNc1c(N)c[nH+]c2c(C)c(C)ccc12 ZINC000584882768 343085341 /nfs/dbraw/zinc/08/53/41/343085341.db2.gz QEZUBPOGNGOJTM-UHFFFAOYSA-N 1 0 215.300 2.288 10 0 BEAERO CCCc1cccc2c(NC)c(N)c[nH+]c12 ZINC000584882757 343085378 /nfs/dbraw/zinc/08/53/78/343085378.db2.gz PNFMNHFOAKKORA-UHFFFAOYSA-N 1 0 215.300 2.233 10 0 BEAERO CC(C)n1ccnc1[C@H]1CC[C@H]([NH3+])CC1 ZINC000584883080 343085920 /nfs/dbraw/zinc/08/59/20/343085920.db2.gz GKKLQDBIJLOCAE-XYPYZODXSA-N 1 0 207.321 2.449 10 0 BEAERO Nc1[nH+]c2c(cc1-c1ccc(F)cc1)CCCN2 ZINC000584883361 343086194 /nfs/dbraw/zinc/08/61/94/343086194.db2.gz QXXJOIIKIGNERF-UHFFFAOYSA-N 1 0 243.285 2.175 10 0 BEAERO CCOC(=O)C[C@@H](C[NH3+])C1CCCCC1 ZINC000260639591 343077522 /nfs/dbraw/zinc/07/75/22/343077522.db2.gz ZJMXWVKFECOFQL-NSHDSACASA-N 1 0 213.321 2.095 10 0 BEAERO CCOC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1F ZINC000142142013 343105213 /nfs/dbraw/zinc/10/52/13/343105213.db2.gz SUGMUMZTIYEMGM-NSHDSACASA-N 1 0 239.290 2.415 10 0 BEAERO Fc1cc2c(cc1F)CC(C[C@H]1C[NH+]=CN1)C2 ZINC000013862122 343107506 /nfs/dbraw/zinc/10/75/06/343107506.db2.gz AFODDVAUCQPPQC-NSHDSACASA-N 1 0 236.265 2.070 10 0 BEAERO C[C@H](Oc1ccc(Br)cc1)C(N)=[NH2+] ZINC000043515638 343116133 /nfs/dbraw/zinc/11/61/33/343116133.db2.gz GQCZNQWNSKRDOG-LURJTMIESA-N 1 0 243.104 2.152 10 0 BEAERO Cc1ccc(Cl)c(O[C@@H](C)C(N)=[NH2+])c1 ZINC000043516015 343116150 /nfs/dbraw/zinc/11/61/50/343116150.db2.gz NYCKYIAUELXWAY-ZETCQYMHSA-N 1 0 212.680 2.352 10 0 BEAERO CC(C)CC(C)(C)C[NH2+]CC(C)(C)O ZINC000258951848 343128807 /nfs/dbraw/zinc/12/88/07/343128807.db2.gz XBFPTQZFIVAHOD-UHFFFAOYSA-N 1 0 201.354 2.419 10 0 BEAERO CC[C@H](C(N)=S)[N@H+](C)Cc1ccccc1 ZINC000043539419 343131989 /nfs/dbraw/zinc/13/19/89/343131989.db2.gz IIBRYVHKQWIWKG-LLVKDONJSA-N 1 0 222.357 2.183 10 0 BEAERO CC(C)[NH2+][C@H]1CCC[C@H]2CCCC[C@@]21O ZINC000144462954 343135380 /nfs/dbraw/zinc/13/53/80/343135380.db2.gz KNUTZXOJTSJYKF-FRRDWIJNSA-N 1 0 211.349 2.458 10 0 BEAERO Nc1c2ccc(F)cc2[nH+]c2c1[C@H](O)CCC2 ZINC000014946468 343135959 /nfs/dbraw/zinc/13/59/59/343135959.db2.gz GHPCZOLZFWUXCH-LLVKDONJSA-N 1 0 232.258 2.326 10 0 BEAERO COC[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000020262396 343140245 /nfs/dbraw/zinc/14/02/45/343140245.db2.gz WLMBKVSXSGKGKY-SECBINFHSA-N 1 0 235.205 2.231 10 0 BEAERO COc1cccc([C@@]2(C)CCC[NH2+]C2)c1 ZINC000034108135 343142008 /nfs/dbraw/zinc/14/20/08/343142008.db2.gz LOEKCSCZZUHSAZ-ZDUSSCGKSA-N 1 0 205.301 2.336 10 0 BEAERO [NH3+][C@@H](Cc1cccc(F)c1)c1cccnc1 ZINC000037992504 343143460 /nfs/dbraw/zinc/14/34/60/343143460.db2.gz AFZKKDDDGXYOMO-ZDUSSCGKSA-N 1 0 216.259 2.463 10 0 BEAERO CCC1(C(=O)N(C)CCC(C)C)CC[NH2+]CC1 ZINC000062849166 168427679 /nfs/dbraw/zinc/42/76/79/168427679.db2.gz IDDWETZCSYIGBT-UHFFFAOYSA-N 1 0 240.391 2.271 10 0 BEAERO CC(C)C[C@@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000406691501 343159038 /nfs/dbraw/zinc/15/90/38/343159038.db2.gz ZSSLQOYBZYTGAG-LLVKDONJSA-N 1 0 242.363 2.227 10 0 BEAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)C1CC1 ZINC000237533779 136272303 /nfs/dbraw/zinc/27/23/03/136272303.db2.gz PYJKVHZYYRADFY-HERUPUMHSA-N 1 0 217.312 2.033 10 0 BEAERO CCCC(C)(C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000126156082 343168919 /nfs/dbraw/zinc/16/89/19/343168919.db2.gz BYMYXWKAAHOODW-LLVKDONJSA-N 1 0 226.364 2.071 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncccc1Cl ZINC000165756877 343212306 /nfs/dbraw/zinc/21/23/06/343212306.db2.gz QJLMCJPXUUIZKY-HTQZYQBOSA-N 1 0 213.712 2.273 10 0 BEAERO CC(C)(C)OC(=O)N1CC([C@H]([NH3+])C(C)(C)C)C1 ZINC000406708762 343226466 /nfs/dbraw/zinc/22/64/66/343226466.db2.gz KZEONNVJDQYDJO-JTQLQIEISA-N 1 0 242.363 2.227 10 0 BEAERO CC[NH2+][C@H]1CCc2c(ccc(C)c2OC)C1 ZINC000238264746 343252626 /nfs/dbraw/zinc/25/26/26/343252626.db2.gz KMPXBJHMWDCZDJ-LBPRGKRZSA-N 1 0 219.328 2.470 10 0 BEAERO [NH3+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000033426905 343253965 /nfs/dbraw/zinc/25/39/65/343253965.db2.gz NBOULRXVDQMSTM-SSDOTTSWSA-N 1 0 214.671 2.017 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(N)=O ZINC000035138726 343286378 /nfs/dbraw/zinc/28/63/78/343286378.db2.gz KYZODSVXKZPITE-WDEREUQCSA-N 1 0 242.322 2.364 10 0 BEAERO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000035136715 343286382 /nfs/dbraw/zinc/28/63/82/343286382.db2.gz UFXSKKYCWVRASO-LLVKDONJSA-N 1 0 242.326 2.155 10 0 BEAERO COc1cccc(C[NH2+][C@@H](C)C(C)C)n1 ZINC000069637538 343287599 /nfs/dbraw/zinc/28/75/99/343287599.db2.gz HMDJKTBUQYXOMT-JTQLQIEISA-N 1 0 208.305 2.224 10 0 BEAERO C[C@@H]([NH3+])c1cccc(-c2ccnn2C)c1 ZINC000069019926 343256614 /nfs/dbraw/zinc/25/66/14/343256614.db2.gz NMNGHFKQGPMJCH-SECBINFHSA-N 1 0 201.273 2.107 10 0 BEAERO CCN(C(=O)[C@@H](C)C1C[NH2+]C1)c1cccc(C)c1 ZINC000164322586 136292245 /nfs/dbraw/zinc/29/22/45/136292245.db2.gz VLKRWALXRQORGW-LBPRGKRZSA-N 1 0 246.354 2.203 10 0 BEAERO COC(=O)CC[NH2+][C@@H](C)c1ccccc1C ZINC000036803952 343324260 /nfs/dbraw/zinc/32/42/60/343324260.db2.gz ZWISPTWTKSPDJO-NSHDSACASA-N 1 0 221.300 2.209 10 0 BEAERO CC(C)Oc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038006231 343365241 /nfs/dbraw/zinc/36/52/41/343365241.db2.gz MWZPJSPNFPVMNU-UHFFFAOYSA-N 1 0 245.326 2.487 10 0 BEAERO C[C@H](CO)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037258820 343341822 /nfs/dbraw/zinc/34/18/22/343341822.db2.gz YUCAVXDTIIQVIC-NOZJJQNGSA-N 1 0 223.291 2.247 10 0 BEAERO C[C@H](CN1CC[N@H+](C)CC1(C)C)C(F)(F)F ZINC000335643481 136303716 /nfs/dbraw/zinc/30/37/16/136303716.db2.gz FZYLWDMXOKAXSB-SECBINFHSA-N 1 0 238.297 2.211 10 0 BEAERO C[NH+]1CCC(Nc2ncnc3ccccc32)CC1 ZINC000037488392 343347343 /nfs/dbraw/zinc/34/73/43/343347343.db2.gz YSTDTRPIYRWUNZ-UHFFFAOYSA-N 1 0 242.326 2.136 10 0 BEAERO CCC(=O)N(c1ccccc1)[C@@H]1CC[NH2+]C[C@H]1C ZINC000038919195 343380287 /nfs/dbraw/zinc/38/02/87/343380287.db2.gz REORAZISQPSCHR-TZMCWYRMSA-N 1 0 246.354 2.428 10 0 BEAERO CC(=O)Nc1c(C)cccc1C[NH+](C)C ZINC000039105549 343384987 /nfs/dbraw/zinc/38/49/87/343384987.db2.gz AMLDHETTWFICPU-UHFFFAOYSA-N 1 0 206.289 2.015 10 0 BEAERO CO[C@H]1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000201869845 343391731 /nfs/dbraw/zinc/39/17/31/343391731.db2.gz YPGXFZXEZBGZLM-RYUDHWBXSA-N 1 0 209.264 2.265 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH3+])CN2CC(C)C ZINC000039941598 343393582 /nfs/dbraw/zinc/39/35/82/343393582.db2.gz GGSDPKPRHDFNLG-GFCCVEGCSA-N 1 0 204.317 2.471 10 0 BEAERO C[C@@H]1CCN(CC(=O)c2cccs2)C1 ZINC000040719131 343408286 /nfs/dbraw/zinc/40/82/86/343408286.db2.gz MQBJRCCEPUPFNP-SECBINFHSA-N 1 0 209.314 2.273 10 0 BEAERO COC(=O)c1ccc2c(c1)[C@H]([NH3+])CC2(C)C ZINC000113930645 346937699 /nfs/dbraw/zinc/93/76/99/346937699.db2.gz MKPKXRCEKRISGU-LLVKDONJSA-N 1 0 219.284 2.154 10 0 BEAERO C[C@H](CCCC(F)(F)F)[NH2+]C1COC1 ZINC000166686481 136362733 /nfs/dbraw/zinc/36/27/33/136362733.db2.gz YTKUHAZKTHOITA-SSDOTTSWSA-N 1 0 211.227 2.096 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000083390738 343480031 /nfs/dbraw/zinc/48/00/31/343480031.db2.gz ADNFHRWJRVBGCC-RWMBFGLXSA-N 1 0 210.365 2.249 10 0 BEAERO CC[N@H+](CC(=O)NC(C)(C)C)Cc1ccccc1 ZINC000042976214 343461107 /nfs/dbraw/zinc/46/11/07/343461107.db2.gz DBMPGDVQKVZHAR-UHFFFAOYSA-N 1 0 248.370 2.423 10 0 BEAERO Nc1ccc2[nH]c(CCc3cccnc3)[nH+]c2c1 ZINC000044556814 343507018 /nfs/dbraw/zinc/50/70/18/343507018.db2.gz HQXIQGBGHBUYSF-UHFFFAOYSA-N 1 0 238.294 2.325 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1c1ccccc1CCO ZINC000616633605 343528559 /nfs/dbraw/zinc/52/85/59/343528559.db2.gz OAUCQBAVKIKYBW-CQSZACIVSA-N 1 0 219.328 2.378 10 0 BEAERO CCn1nc(C[NH2+]C(C)C)c(-c2ccccc2)n1 ZINC000045944854 343536048 /nfs/dbraw/zinc/53/60/48/343536048.db2.gz WWEUNRWFOXXFIB-UHFFFAOYSA-N 1 0 244.342 2.463 10 0 BEAERO COC(=O)c1ccc2cc(CC[NH3+])ccc2c1 ZINC000044371802 343498527 /nfs/dbraw/zinc/49/85/27/343498527.db2.gz KUUFZNLFJVRSHZ-UHFFFAOYSA-N 1 0 229.279 2.128 10 0 BEAERO [NH3+]CCc1cscc1Br ZINC000044399133 343499832 /nfs/dbraw/zinc/49/98/32/343499832.db2.gz CVXOCCNHWBCQBC-UHFFFAOYSA-N 1 0 206.108 2.012 10 0 BEAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000624235269 343574852 /nfs/dbraw/zinc/57/48/52/343574852.db2.gz HORSSBZVUKABGA-CFVMTHIKSA-N 1 0 249.354 2.104 10 0 BEAERO CCN(C)CC[NH2+][C@@H](C)CCC(C)C ZINC000053378992 1172029843 /nfs/dbraw/zinc/02/98/43/1172029843.db2.gz VUOAPWQEPCUFQL-LBPRGKRZSA-N 1 0 200.370 2.352 10 0 BEAERO c1[nH]c2cnccc2c1C1CC[NH2+]CC1 ZINC000083283806 343569661 /nfs/dbraw/zinc/56/96/61/343569661.db2.gz BESGNGHOVVYHFJ-UHFFFAOYSA-N 1 0 201.273 2.030 10 0 BEAERO COCC[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712526222 537788710 /nfs/dbraw/zinc/78/87/10/537788710.db2.gz HNDDCKCPLQBQCX-NSHDSACASA-N 1 0 211.330 2.146 10 0 BEAERO CCn1cc([C@H]2[NH2+]CCc3ccsc32)cn1 ZINC000712536734 537788761 /nfs/dbraw/zinc/78/87/61/537788761.db2.gz KCQHKYCXEDGCBX-LLVKDONJSA-N 1 0 233.340 2.200 10 0 BEAERO C[NH2+]Cc1ccc(C(=O)OC)cc1C(F)(F)F ZINC000168850948 343620439 /nfs/dbraw/zinc/62/04/39/343620439.db2.gz WSDYBSPVOKSYIE-UHFFFAOYSA-N 1 0 247.216 2.211 10 0 BEAERO CC[C@]1(COC)[NH2+]CCc2ccsc21 ZINC000712545337 537792492 /nfs/dbraw/zinc/79/24/92/537792492.db2.gz NLXKSZZPDWBRFD-LLVKDONJSA-N 1 0 211.330 2.146 10 0 BEAERO CO[C@@H](C)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712553277 537792508 /nfs/dbraw/zinc/79/25/08/537792508.db2.gz QNGKNLHYZHEMHY-GZMMTYOYSA-N 1 0 211.330 2.144 10 0 BEAERO COC[C@@H](C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712553167 537792782 /nfs/dbraw/zinc/79/27/82/537792782.db2.gz CGAALFKKXZJNHU-PSASIEDQSA-N 1 0 211.330 2.217 10 0 BEAERO CC(C)CO[C@H]1C[NH2+]CC[C@H]1c1ccoc1 ZINC000167872626 343607880 /nfs/dbraw/zinc/60/78/80/343607880.db2.gz TWHJDBMNIPWRRW-STQMWFEESA-N 1 0 223.316 2.398 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])C1(C)CCCCC1 ZINC000205046184 343613673 /nfs/dbraw/zinc/61/36/73/343613673.db2.gz NJSUQYUWIDWRJS-JTQLQIEISA-N 1 0 213.321 2.237 10 0 BEAERO CC[C@H]1C[C@@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712522518 537790268 /nfs/dbraw/zinc/79/02/68/537790268.db2.gz KBFUDUANZCTCLQ-JQWIXIFHSA-N 1 0 223.341 2.288 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CC[C@H](C)C2)c1 ZINC000051579225 178562019 /nfs/dbraw/zinc/56/20/19/178562019.db2.gz JGQPUPVUXOZYIC-NSHDSACASA-N 1 0 204.317 2.300 10 0 BEAERO OCC[N@@H+]1CC[C@H](c2cnc3ccccc3c2)C1 ZINC000616613414 349825180 /nfs/dbraw/zinc/82/51/80/349825180.db2.gz ISVMZSYCCINIHE-ZDUSSCGKSA-N 1 0 242.322 2.016 10 0 BEAERO C[C@@H]1C[N@H+](C)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000199779748 343705793 /nfs/dbraw/zinc/70/57/93/343705793.db2.gz WFNALLOMRMDNSP-ZWNOBZJWSA-N 1 0 239.746 2.499 10 0 BEAERO CC1(C)OCC(C[NH2+]Cc2ccccc2)CO1 ZINC000059129950 343706244 /nfs/dbraw/zinc/70/62/44/343706244.db2.gz ZWPWWHTYIUIGHR-UHFFFAOYSA-N 1 0 235.327 2.175 10 0 BEAERO CCC[NH2+][C@H](C)c1cn(C(C)(C)C)nn1 ZINC000309117260 346967939 /nfs/dbraw/zinc/96/79/39/346967939.db2.gz RLMXHHXJVINQQG-SECBINFHSA-N 1 0 210.325 2.094 10 0 BEAERO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](O)C2)CC(C)(C)C1 ZINC000092901895 343785135 /nfs/dbraw/zinc/78/51/35/343785135.db2.gz BZYBUSBTRXBPGF-WOPDTQHZSA-N 1 0 211.349 2.268 10 0 BEAERO CNc1cc(NCc2ccccc2)nc(C)[nH+]1 ZINC000128357273 343787833 /nfs/dbraw/zinc/78/78/33/343787833.db2.gz WYPIYCDLWFWJTB-UHFFFAOYSA-N 1 0 228.299 2.439 10 0 BEAERO CCc1cc(CC)n(C[C@H]2CCCC[NH2+]2)n1 ZINC000132498877 343788216 /nfs/dbraw/zinc/78/82/16/343788216.db2.gz AHPZEEDZXUFWDN-GFCCVEGCSA-N 1 0 221.348 2.150 10 0 BEAERO C[C@@H]([NH3+])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000204760376 343791720 /nfs/dbraw/zinc/79/17/20/343791720.db2.gz YXYQDYQALJVGBP-SNVBAGLBSA-N 1 0 242.363 2.371 10 0 BEAERO C1C[C@@H](c2noc(C3CCCCC3)n2)C[NH2+]1 ZINC000215897380 343792261 /nfs/dbraw/zinc/79/22/61/343792261.db2.gz BUKZAWZUMGEUEI-SNVBAGLBSA-N 1 0 221.304 2.194 10 0 BEAERO Cc1nc(N2[C@H](C)CCC[C@@H]2C)cc(N)[nH+]1 ZINC000409431363 343823074 /nfs/dbraw/zinc/82/30/74/343823074.db2.gz POUITQNBOMVVCO-DTORHVGOSA-N 1 0 220.320 2.135 10 0 BEAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@H]1C(C)(C)C ZINC000409429360 343805759 /nfs/dbraw/zinc/80/57/59/343805759.db2.gz CHPYTXSNANRHCY-NXEZZACHSA-N 1 0 242.363 2.145 10 0 BEAERO CC(F)(F)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000409429888 343806658 /nfs/dbraw/zinc/80/66/58/343806658.db2.gz PQUAMANBVGTRKV-UHFFFAOYSA-N 1 0 232.318 2.106 10 0 BEAERO CCN(C(=O)OC(C)(C)C)[C@H]1CCC[C@H]1[NH3+] ZINC000409440673 343852972 /nfs/dbraw/zinc/85/29/72/343852972.db2.gz LZACQZFRYLFSDK-ZJUUUORDSA-N 1 0 228.336 2.123 10 0 BEAERO CC(C)c1[nH]nc(C(F)(F)F)c1CCC(N)=[NH2+] ZINC000409436760 343837457 /nfs/dbraw/zinc/83/74/57/343837457.db2.gz AECYWKVTVCIDPB-UHFFFAOYSA-N 1 0 248.252 2.420 10 0 BEAERO [NH3+]Cc1cc(CCCc2ccccc2)ncn1 ZINC000409436519 343837924 /nfs/dbraw/zinc/83/79/24/343837924.db2.gz DSCJBENCFHHXPH-UHFFFAOYSA-N 1 0 227.311 2.111 10 0 BEAERO c1cc(-c2cnn(C[C@@H]3CCCC[NH2+]3)c2)co1 ZINC000409436883 343841315 /nfs/dbraw/zinc/84/13/15/343841315.db2.gz BXNYHXVTJMOCEI-ZDUSSCGKSA-N 1 0 231.299 2.285 10 0 BEAERO CC(C)c1[nH]nc(C(F)(F)F)c1C[NH3+] ZINC000409442052 343856935 /nfs/dbraw/zinc/85/69/35/343856935.db2.gz WFYUCUGRHLPTTK-UHFFFAOYSA-N 1 0 207.199 2.011 10 0 BEAERO Cc1[nH]nc(C2CCCC2)c1CCC(N)=[NH2+] ZINC000409438681 343844885 /nfs/dbraw/zinc/84/48/85/343844885.db2.gz FCNPHRCIQZHDNN-UHFFFAOYSA-N 1 0 220.320 2.244 10 0 BEAERO CC(C)c1cc(-c2cccnc2)nn1CC[NH3+] ZINC000409439056 343846605 /nfs/dbraw/zinc/84/66/05/343846605.db2.gz GGQXFIDICHNDEY-UHFFFAOYSA-N 1 0 230.315 2.027 10 0 BEAERO CCc1[nH]nc(C2CCCC2)c1CCC(N)=[NH2+] ZINC000409439240 343847058 /nfs/dbraw/zinc/84/70/58/343847058.db2.gz HQONHQZGAAHIHS-UHFFFAOYSA-N 1 0 234.347 2.498 10 0 BEAERO [NH3+]Cc1c(-c2ccoc2)n[nH]c1C1CC1 ZINC000409439486 343847490 /nfs/dbraw/zinc/84/74/90/343847490.db2.gz IMOJBYBHBFAEIO-UHFFFAOYSA-N 1 0 203.245 2.006 10 0 BEAERO CCc1n[nH]c(CC(C)C)c1CCC(N)=[NH2+] ZINC000409439496 343847507 /nfs/dbraw/zinc/84/75/07/343847507.db2.gz IPXHUJCGECAQCQ-UHFFFAOYSA-N 1 0 222.336 2.039 10 0 BEAERO CCc1[nH]nc(C2CCCC2)c1C[NH2+]C ZINC000409437938 343849397 /nfs/dbraw/zinc/84/93/97/343849397.db2.gz BEACTPZFKQJKPS-UHFFFAOYSA-N 1 0 207.321 2.349 10 0 BEAERO [NH3+]Cc1c(-c2ccco2)n[nH]c1C1CCC1 ZINC000409438355 343850759 /nfs/dbraw/zinc/85/07/59/343850759.db2.gz DAVWUJDOKFYYBD-UHFFFAOYSA-N 1 0 217.272 2.396 10 0 BEAERO C[NH2+][C@H]1CCC[C@@H]1c1noc(C(C)(C)C)n1 ZINC000409440527 343852359 /nfs/dbraw/zinc/85/23/59/343852359.db2.gz LKIOXOHNCDVWTQ-IUCAKERBSA-N 1 0 223.320 2.223 10 0 BEAERO C[NH2+][C@@H]1CCC[C@H]1c1noc(C(C)(C)C)n1 ZINC000409440528 343852455 /nfs/dbraw/zinc/85/24/55/343852455.db2.gz LKIOXOHNCDVWTQ-RKDXNWHRSA-N 1 0 223.320 2.223 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC1CC(C)(C)C1 ZINC000625481836 343881493 /nfs/dbraw/zinc/88/14/93/343881493.db2.gz JSRJQDXIRBKKMC-JQWIXIFHSA-N 1 0 211.349 2.268 10 0 BEAERO CCc1[nH]nc(-c2ccsc2)c1C[NH3+] ZINC000409442240 343857646 /nfs/dbraw/zinc/85/76/46/343857646.db2.gz XZVJRWWFWFWRSM-UHFFFAOYSA-N 1 0 207.302 2.159 10 0 BEAERO [NH3+][C@@H]1CSc2[nH]c3ccccc3c2C1 ZINC000000012148 343859621 /nfs/dbraw/zinc/85/96/21/343859621.db2.gz CFPJQXTVBNJZRR-ZETCQYMHSA-N 1 0 204.298 2.143 10 0 BEAERO CCc1cc(C(F)(F)F)nn1C1CC[NH2+]CC1 ZINC000409443969 343863711 /nfs/dbraw/zinc/86/37/11/343863711.db2.gz XOHCDNBGRMDCME-UHFFFAOYSA-N 1 0 247.264 2.389 10 0 BEAERO CC(C)n1nc(-c2cccnc2)cc1CC[NH3+] ZINC000409443456 343867145 /nfs/dbraw/zinc/86/71/45/343867145.db2.gz NHGRZTHBFKCIQA-UHFFFAOYSA-N 1 0 230.315 2.027 10 0 BEAERO CC(C)n1nc(-c2ccccc2)cc1C(N)=[NH2+] ZINC000409443570 343867657 /nfs/dbraw/zinc/86/76/57/343867657.db2.gz PSRBUAANAZOHNR-UHFFFAOYSA-N 1 0 228.299 2.415 10 0 BEAERO [NH3+]Cc1cc(-c2ccccc2)nc(C2CC2)n1 ZINC000575622132 343868918 /nfs/dbraw/zinc/86/89/18/343868918.db2.gz GQXWETXHXWCEEP-UHFFFAOYSA-N 1 0 225.295 2.480 10 0 BEAERO [NH3+]Cc1cnn(C/C=C/c2ccccc2)c1 ZINC000575623231 343875536 /nfs/dbraw/zinc/87/55/36/343875536.db2.gz ANLPROSYUHSAMO-QPJJXVBHSA-N 1 0 213.284 2.055 10 0 BEAERO NC(=[NH2+])Nc1ccc(Br)c(Cl)c1 ZINC000141678513 343890528 /nfs/dbraw/zinc/89/05/28/343890528.db2.gz ZRURDMWZMRGKNL-UHFFFAOYSA-N 1 0 248.511 2.408 10 0 BEAERO CC[NH2+][C@H](C)CNc1nc2ccccc2cc1C ZINC000387677681 347005270 /nfs/dbraw/zinc/00/52/70/347005270.db2.gz RKCRMKZCTKPEPM-GFCCVEGCSA-N 1 0 243.354 2.375 10 0 BEAERO C[C@@H]([NH3+])Cc1csc(-c2ccoc2)n1 ZINC000165629578 343940327 /nfs/dbraw/zinc/94/03/27/343940327.db2.gz NRUSCKCMEALEOS-SSDOTTSWSA-N 1 0 208.286 2.293 10 0 BEAERO Nc1cc[nH+]cc1CC(=O)c1ccsc1 ZINC000069941365 343944463 /nfs/dbraw/zinc/94/44/63/343944463.db2.gz BTOPAASRXQNVFB-UHFFFAOYSA-N 1 0 218.281 2.151 10 0 BEAERO CC(C)[N@@H+]1CC[C@@H](c2cccc(N)c2)C1 ZINC000220073877 343918310 /nfs/dbraw/zinc/91/83/10/343918310.db2.gz MNGHMARFACJPIY-GFCCVEGCSA-N 1 0 204.317 2.467 10 0 BEAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000634724461 343932598 /nfs/dbraw/zinc/93/25/98/343932598.db2.gz QMIWWEHYQBMZJA-QWHCGFSZSA-N 1 0 241.375 2.086 10 0 BEAERO CN(C)c1nc([C@@H]2CCCC[NH2+]2)cs1 ZINC000165733319 343970720 /nfs/dbraw/zinc/97/07/20/343970720.db2.gz YILIWMXEEGXMGM-QMMMGPOBSA-N 1 0 211.334 2.024 10 0 BEAERO C[NH2+][C@H]1CC[C@@H](Sc2nc(C)co2)C1 ZINC000234490281 343974404 /nfs/dbraw/zinc/97/44/04/343974404.db2.gz GYRZCKRSPYDFDY-DTWKUNHWSA-N 1 0 212.318 2.216 10 0 BEAERO C[C@H]1SCC[C@]12[NH2+]CC[C@@H](C)S2 ZINC000235332755 343955595 /nfs/dbraw/zinc/95/55/95/343955595.db2.gz RFAIRHLRQXDYIU-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO C[NH2+][C@H]1CCC[C@H]1c1nc(C(C)C)no1 ZINC000071000876 343958818 /nfs/dbraw/zinc/95/88/18/343958818.db2.gz KCDGCTAOJANRDK-BDAKNGLRSA-N 1 0 209.293 2.049 10 0 BEAERO C[NH2+][C@@]1(c2nccs2)CCS[C@H]1C ZINC000234443722 343966450 /nfs/dbraw/zinc/96/64/50/343966450.db2.gz VRMOKNWSYUUGBK-CBAPKCEASA-N 1 0 214.359 2.083 10 0 BEAERO CC1(C)C[N@@H+]([C@H]2CCCCC2=O)CCS1 ZINC000135214945 343968687 /nfs/dbraw/zinc/96/86/87/343968687.db2.gz GDQBUFLMEXYMRU-JTQLQIEISA-N 1 0 227.373 2.326 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037164474 178623911 /nfs/dbraw/zinc/62/39/11/178623911.db2.gz DTKGYLWDKYDYGZ-ZIAGYGMSSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037164470 178623975 /nfs/dbraw/zinc/62/39/75/178623975.db2.gz DTKGYLWDKYDYGZ-KGLIPLIRSA-N 1 0 219.328 2.388 10 0 BEAERO C[C@H]1C[C@@H](C(F)(F)F)n2cc[nH+]c2N1 ZINC000235713902 344064658 /nfs/dbraw/zinc/06/46/58/344064658.db2.gz GQXRHBQJLRNERR-WDSKDSINSA-N 1 0 205.183 2.191 10 0 BEAERO CSC[C@@H](C)Nc1ccc(N)c(C)[nH+]1 ZINC000127241802 344064726 /nfs/dbraw/zinc/06/47/26/344064726.db2.gz WZDKRWQJMRSTDI-SSDOTTSWSA-N 1 0 211.334 2.136 10 0 BEAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1ccccc1 ZINC000634735261 344122378 /nfs/dbraw/zinc/12/23/78/344122378.db2.gz ALNRYXULUXDXOM-WFASDCNBSA-N 1 0 244.338 2.039 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC000634736859 344133286 /nfs/dbraw/zinc/13/32/86/344133286.db2.gz CBYAVPNPVRAOAN-NXEZZACHSA-N 1 0 248.317 2.008 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)C1CC1 ZINC000130630483 344222971 /nfs/dbraw/zinc/22/29/71/344222971.db2.gz QXYSBOCPFXSAQP-AVGNSLFASA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)C[C@H]1CCN(C(=O)C2CCC2)C[C@H]1[NH3+] ZINC000616571826 344182085 /nfs/dbraw/zinc/18/20/85/344182085.db2.gz SHLCBWVIIZYOIH-CHWSQXEVSA-N 1 0 238.375 2.008 10 0 BEAERO CCC[C@H](CC)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634748163 344182435 /nfs/dbraw/zinc/18/24/35/344182435.db2.gz OSPWTUIBGVUMDI-OBJOEFQTSA-N 1 0 238.375 2.071 10 0 BEAERO [NH3+]C[C@@H](CCC(F)(F)F)C(F)(F)F ZINC000616572052 344182934 /nfs/dbraw/zinc/18/29/34/344182934.db2.gz JEVZGXNCPYWCTH-SCSAIBSYSA-N 1 0 209.133 2.466 10 0 BEAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2=O)C1 ZINC000060719898 344197908 /nfs/dbraw/zinc/19/79/08/344197908.db2.gz OUWGDFAKIPYQCJ-NEPJUHHUSA-N 1 0 209.333 2.478 10 0 BEAERO O=C1CCCC[C@@H]1C[N@@H+]1CCCSCC1 ZINC000060720477 344198861 /nfs/dbraw/zinc/19/88/61/344198861.db2.gz HXKDGCGRJLGTEK-LLVKDONJSA-N 1 0 227.373 2.185 10 0 BEAERO CCC1(CNC(=O)[C@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000226376214 168473996 /nfs/dbraw/zinc/47/39/96/168473996.db2.gz PFCYJFAYVZXZDG-NWDGAFQWSA-N 1 0 238.375 2.200 10 0 BEAERO Cc1ccc(C[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000062193152 178649634 /nfs/dbraw/zinc/64/96/34/178649634.db2.gz MNRWISLYFIHNQW-CQSZACIVSA-N 1 0 219.328 2.293 10 0 BEAERO Cc1ccc(C[C@H]([NH3+])[C@H]2CCOC2)cc1C ZINC000053139115 178652799 /nfs/dbraw/zinc/65/27/99/178652799.db2.gz KLGDJYRXIHFSTK-KBPBESRZSA-N 1 0 219.328 2.210 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc2ccccc2n1 ZINC000385185708 344366060 /nfs/dbraw/zinc/36/60/60/344366060.db2.gz KUEOFSMVHKTMGO-CMPLNLGQSA-N 1 0 227.311 2.161 10 0 BEAERO CCN1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000095937438 344358151 /nfs/dbraw/zinc/35/81/51/344358151.db2.gz VIYYRTSAIOEXEZ-UHFFFAOYSA-N 1 0 230.355 2.214 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CN1c1cc(C(F)(F)F)ccn1 ZINC000385177702 344360146 /nfs/dbraw/zinc/36/01/46/344360146.db2.gz WBPVTJKFSIMZIU-CBAPKCEASA-N 1 0 245.248 2.026 10 0 BEAERO Cc1ccc(F)c(CC[NH3+])c1Br ZINC000075925749 178671005 /nfs/dbraw/zinc/67/10/05/178671005.db2.gz ZRKAPOMAUDIIKT-UHFFFAOYSA-N 1 0 232.096 2.398 10 0 BEAERO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000102930748 344440757 /nfs/dbraw/zinc/44/07/57/344440757.db2.gz VVISYNBWMHCHQD-UHFFFAOYSA-N 1 0 232.327 2.500 10 0 BEAERO C[N@H+](CC1CCCCC1)[C@@H]1CCC[C@@H]1O ZINC000042494076 344455274 /nfs/dbraw/zinc/45/52/74/344455274.db2.gz KHVFSADZXSPUFE-OLZOCXBDSA-N 1 0 211.349 2.412 10 0 BEAERO c1c[nH]c([C@H]2CCCC[N@H+]2CC2CCOCC2)n1 ZINC000152034672 344475907 /nfs/dbraw/zinc/47/59/07/344475907.db2.gz NXAIPKHPTZIKLO-CYBMUJFWSA-N 1 0 249.358 2.363 10 0 BEAERO CC(C)CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037108589 344488364 /nfs/dbraw/zinc/48/83/64/344488364.db2.gz WLKIOZFEIPSCLP-AVGNSLFASA-N 1 0 238.375 2.022 10 0 BEAERO [NH3+][C@H](CCO)c1ccc(C(F)(F)F)c(F)c1 ZINC000044233313 344536417 /nfs/dbraw/zinc/53/64/17/344536417.db2.gz IYNLFXHJQWYZOH-SECBINFHSA-N 1 0 237.196 2.227 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000330268354 537847890 /nfs/dbraw/zinc/84/78/90/537847890.db2.gz RCVJWXRCFCWNFE-YUSALJHKSA-N 1 0 234.347 2.424 10 0 BEAERO [NH3+][C@H](CC=Cc1ccccc1)Cc1c[nH]cn1 ZINC000029401868 344595573 /nfs/dbraw/zinc/59/55/73/344595573.db2.gz JQCKGYNRROHKNT-WXJAXGNASA-N 1 0 227.311 2.383 10 0 BEAERO CC1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000111622280 344596426 /nfs/dbraw/zinc/59/64/26/344596426.db2.gz KEQSWBULOSYVGW-LBPRGKRZSA-N 1 0 238.375 2.073 10 0 BEAERO CC(=O)CC[N@@H+](C)Cc1ccccc1C ZINC000047979728 344581327 /nfs/dbraw/zinc/58/13/27/344581327.db2.gz NYXQJNNYOIVJOK-UHFFFAOYSA-N 1 0 205.301 2.406 10 0 BEAERO CC1CC([NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000158292213 344584018 /nfs/dbraw/zinc/58/40/18/344584018.db2.gz OFFRVRHSZXEVFW-UHFFFAOYSA-N 1 0 242.363 2.289 10 0 BEAERO C[C@@H]1CCC[C@H](n2cnc(C[NH3+])c2)[C@H]1C ZINC000300720928 537853558 /nfs/dbraw/zinc/85/35/58/537853558.db2.gz CKWOTZLRTMXXQP-SCVCMEIPSA-N 1 0 207.321 2.339 10 0 BEAERO C[C@@H]1CCC[C@@H](n2cnc(C[NH3+])c2)[C@@H]1C ZINC000300720923 537853376 /nfs/dbraw/zinc/85/33/76/537853376.db2.gz CKWOTZLRTMXXQP-CKYFFXLPSA-N 1 0 207.321 2.339 10 0 BEAERO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000129086270 178686816 /nfs/dbraw/zinc/68/68/16/178686816.db2.gz XHRFFYCUUOWBHI-BXUZGUMPSA-N 1 0 237.318 2.385 10 0 BEAERO CN(C)c1cc(C[NH3+])ccc1OC(F)(F)F ZINC000396120481 344608422 /nfs/dbraw/zinc/60/84/22/344608422.db2.gz NIYUFSJKRUKNOY-UHFFFAOYSA-N 1 0 234.221 2.110 10 0 BEAERO C[N@H+](C[C@H]1CCC(C)(C)C1=O)C1CCC1 ZINC000127817696 344659774 /nfs/dbraw/zinc/65/97/74/344659774.db2.gz IWACAWCDBYEHEZ-SNVBAGLBSA-N 1 0 209.333 2.476 10 0 BEAERO CC(C)c1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000050242533 344660440 /nfs/dbraw/zinc/66/04/40/344660440.db2.gz ZKVTXKZLQXFXPN-CQSZACIVSA-N 1 0 246.354 2.026 10 0 BEAERO Cc1ccc(I)cc1C[NH3+] ZINC000098096524 178693509 /nfs/dbraw/zinc/69/35/09/178693509.db2.gz PZHKTGMAQQHULU-UHFFFAOYSA-N 1 0 247.079 2.058 10 0 BEAERO C[C@@H]1CCC[C@H]([C@@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000400389291 537854409 /nfs/dbraw/zinc/85/44/09/537854409.db2.gz JURBAHRKGDTISC-SCVCMEIPSA-N 1 0 219.332 2.423 10 0 BEAERO CC(C)[C@](F)(C[NH3+])c1cncc(F)c1 ZINC000158391608 344639590 /nfs/dbraw/zinc/63/95/90/344639590.db2.gz SFOVMFLIBVAEER-SNVBAGLBSA-N 1 0 200.232 2.000 10 0 BEAERO Cc1ccc(N(C)C[C@H](C)C[NH3+])c(C)c1 ZINC000049813588 178697780 /nfs/dbraw/zinc/69/77/80/178697780.db2.gz ARFUBIBNWJTMJH-LLVKDONJSA-N 1 0 206.333 2.334 10 0 BEAERO CC[C@H](C(N)=S)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000221294642 344724296 /nfs/dbraw/zinc/72/42/96/344724296.db2.gz DKKLYRIJNMYRFW-OPRDCNLKSA-N 1 0 214.378 2.029 10 0 BEAERO CC[C@H]1CCN(Cc2nnc(Cl)s2)C1 ZINC000166113647 344741546 /nfs/dbraw/zinc/74/15/46/344741546.db2.gz GVDIPQSNBNQWEQ-ZETCQYMHSA-N 1 0 231.752 2.423 10 0 BEAERO Oc1ccc([C@@H]2[NH2+]CCS2)cc1Cl ZINC000050522979 344706371 /nfs/dbraw/zinc/70/63/71/344706371.db2.gz VQCINHIXIHFANQ-SECBINFHSA-N 1 0 215.705 2.381 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1ccc(F)cc1C ZINC000050568793 344711868 /nfs/dbraw/zinc/71/18/68/344711868.db2.gz TVRRLBXSOWJART-NSHDSACASA-N 1 0 225.263 2.087 10 0 BEAERO Cc1ccc([C@](C)(O)[C@@H]2CCC[NH2+]2)s1 ZINC000166194015 344779788 /nfs/dbraw/zinc/77/97/88/344779788.db2.gz PHLRTGXPJJUACN-GXSJLCMTSA-N 1 0 211.330 2.016 10 0 BEAERO Cc1cc([C@@H]2[NH2+]CCc3nc[nH]c32)cs1 ZINC000400570645 537861005 /nfs/dbraw/zinc/86/10/05/537861005.db2.gz QFQTUJPHECVMRG-JTQLQIEISA-N 1 0 219.313 2.015 10 0 BEAERO C[NH+](C)CC[C@]1(C)NCCc2sccc21 ZINC000715208735 537868094 /nfs/dbraw/zinc/86/80/94/537868094.db2.gz POAVOHYAHGOMQY-LBPRGKRZSA-N 1 0 224.373 2.061 10 0 BEAERO C[C@@H]1C[C@H](C(F)(F)F)n2cc[nH+]c2N1 ZINC000235395637 344901442 /nfs/dbraw/zinc/90/14/42/344901442.db2.gz GQXRHBQJLRNERR-PHDIDXHHSA-N 1 0 205.183 2.191 10 0 BEAERO C[C@H](CC(F)(F)F)NC1=[NH+]CCCS1 ZINC000235443540 344916330 /nfs/dbraw/zinc/91/63/30/344916330.db2.gz RBVAYQMUCAGNCA-ZCFIWIBFSA-N 1 0 226.267 2.410 10 0 BEAERO C[C@@H]1CCN(Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000166632585 344947945 /nfs/dbraw/zinc/94/79/45/344947945.db2.gz MRPBFWSFSJAPRS-TZMCWYRMSA-N 1 0 218.344 2.246 10 0 BEAERO Clc1ccncc1NCc1c[nH]cn1 ZINC000166635043 344948032 /nfs/dbraw/zinc/94/80/32/344948032.db2.gz UVOOKPGRFJUPDL-UHFFFAOYSA-N 1 0 208.652 2.070 10 0 BEAERO [NH3+][C@@H](CCO)c1c(F)cc(Cl)cc1F ZINC000044235617 344987211 /nfs/dbraw/zinc/98/72/11/344987211.db2.gz MSXSLNRMZFSKNK-QMMMGPOBSA-N 1 0 221.634 2.000 10 0 BEAERO [NH3+][C@H](CCO)c1cc(C(F)(F)F)ccc1F ZINC000044233036 344988350 /nfs/dbraw/zinc/98/83/50/344988350.db2.gz DYDIKPRGOWETNN-SECBINFHSA-N 1 0 237.196 2.227 10 0 BEAERO [NH3+][C@@H](CCO)c1ccccc1C(F)(F)F ZINC000044232193 344988625 /nfs/dbraw/zinc/98/86/25/344988625.db2.gz SZDSETNDCNRZBB-VIFPVBQESA-N 1 0 219.206 2.088 10 0 BEAERO Cc1ccc(Cl)c([C@H]([NH3+])CCO)c1F ZINC000044233457 344988957 /nfs/dbraw/zinc/98/89/57/344988957.db2.gz DRDMBMKKHYQRNE-MRVPVSSYSA-N 1 0 217.671 2.170 10 0 BEAERO C[C@H](c1cccs1)N1CC[NH2+][C@H](C)C1 ZINC000247960353 344990988 /nfs/dbraw/zinc/99/09/88/344990988.db2.gz DGDZSAJTUFJHIH-NXEZZACHSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@H](c1nccs1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000247961269 344991483 /nfs/dbraw/zinc/99/14/83/344991483.db2.gz DYZSHSZRQHOMEM-GHMZBOCLSA-N 1 0 239.388 2.278 10 0 BEAERO Brc1ccc([C@H]2CC[NH2+]2)o1 ZINC000044257477 344996760 /nfs/dbraw/zinc/99/67/60/344996760.db2.gz PGFVFTGJTUZWMS-RXMQYKEDSA-N 1 0 202.051 2.077 10 0 BEAERO CCC(CC)C[NH+]1CCC(n2cncn2)CC1 ZINC000153907287 345000785 /nfs/dbraw/zinc/00/07/85/345000785.db2.gz XUMDBHMVHDFOSR-UHFFFAOYSA-N 1 0 236.363 2.351 10 0 BEAERO CC[NH2+]Cc1ncc(Cl)cc1Cl ZINC000238267749 345005139 /nfs/dbraw/zinc/00/51/39/345005139.db2.gz UWCBEFPVLFAJJS-UHFFFAOYSA-N 1 0 205.088 2.498 10 0 BEAERO COc1cc([C@H]([NH3+])CF)cc(Cl)c1O ZINC000238424760 345046577 /nfs/dbraw/zinc/04/65/77/345046577.db2.gz ITJRVYVIALYEMG-SSDOTTSWSA-N 1 0 219.643 2.024 10 0 BEAERO C[C@H](C[NH3+])c1nc2c(s1)CCCCC2 ZINC000011886870 345051315 /nfs/dbraw/zinc/05/13/15/345051315.db2.gz QUDLUWZBALNVSJ-MRVPVSSYSA-N 1 0 210.346 2.474 10 0 BEAERO Cc1cc(C[NH2+]CCc2ccccc2)on1 ZINC000044300910 345015310 /nfs/dbraw/zinc/01/53/10/345015310.db2.gz ONNRLRAVRKFBQK-UHFFFAOYSA-N 1 0 216.284 2.315 10 0 BEAERO C[C@H]1CCC[C@@H](C[NH+]2CCC(=O)CC2)C1 ZINC000235678133 345029228 /nfs/dbraw/zinc/02/92/28/345029228.db2.gz FVEYWUUVLZVRRH-NWDGAFQWSA-N 1 0 209.333 2.478 10 0 BEAERO CC(=O)Nc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH3+] ZINC000011848994 345033857 /nfs/dbraw/zinc/03/38/57/345033857.db2.gz ZWTJPCCFUNGMQI-NSHDSACASA-N 1 0 234.299 2.206 10 0 BEAERO [NH3+]Cc1nc(Cl)ccc1OC(F)(F)F ZINC000238587118 345083035 /nfs/dbraw/zinc/08/30/35/345083035.db2.gz VZDLETMUZUQESP-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO FC(F)(F)c1ccc(C2C[NH2+]C2)s1 ZINC000238588086 345083754 /nfs/dbraw/zinc/08/37/54/345083754.db2.gz KVMWFGIFJUJEEP-UHFFFAOYSA-N 1 0 207.220 2.454 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1nn(C)c2ccccc12 ZINC000082432806 345060587 /nfs/dbraw/zinc/06/05/87/345060587.db2.gz KZDFSZQRCXODTG-GXSJLCMTSA-N 1 0 215.300 2.071 10 0 BEAERO COc1ccc(CC[NH2+]C2CCC2)cc1OC ZINC000044479886 345092205 /nfs/dbraw/zinc/09/22/05/345092205.db2.gz VCIGTRCLGQSNHN-UHFFFAOYSA-N 1 0 235.327 2.388 10 0 BEAERO CC(C)C[NH2+]C[C@H](O)CO[C@@H]1CCC[C@H](C)C1 ZINC000248266551 345097777 /nfs/dbraw/zinc/09/77/77/345097777.db2.gz YALLUAIJXIJKPE-MELADBBJSA-N 1 0 243.391 2.188 10 0 BEAERO [NH3+]Cc1cc(OC(F)(F)F)cnc1Cl ZINC000238675351 345106887 /nfs/dbraw/zinc/10/68/87/345106887.db2.gz WXJPQLQGXYFRBD-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)[C@@H]1CCCO1 ZINC000188781100 259382889 /nfs/dbraw/zinc/38/28/89/259382889.db2.gz CKQZXRSNMMWANF-IHRRRGAJSA-N 1 0 239.359 2.199 10 0 BEAERO Cc1cnn([C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000156231824 345140586 /nfs/dbraw/zinc/14/05/86/345140586.db2.gz BEXIJEGIEVVETC-CYBMUJFWSA-N 1 0 219.332 2.238 10 0 BEAERO C[C@@H]1SCCS[C@H]1[C@@H]([NH3+])C1CCC1 ZINC000225535550 345159619 /nfs/dbraw/zinc/15/96/19/345159619.db2.gz BOXVJSWYJTZBQF-UJNFCWOMSA-N 1 0 217.403 2.351 10 0 BEAERO Cc1ccc(C(=O)C2(C[NH3+])CCC2)cc1 ZINC000226790612 345226667 /nfs/dbraw/zinc/22/66/67/345226667.db2.gz LGCQPOQWWHWQJM-UHFFFAOYSA-N 1 0 203.285 2.307 10 0 BEAERO Cc1ccc2c(ccc(F)c2N2CC[NH2+]CC2)n1 ZINC000167261657 345251121 /nfs/dbraw/zinc/25/11/21/345251121.db2.gz YQAWQPMXJGUDFU-UHFFFAOYSA-N 1 0 245.301 2.092 10 0 BEAERO C[C@@]1(C[NH3+])CCN(c2nccc3ccccc32)C1 ZINC000235416637 537892298 /nfs/dbraw/zinc/89/22/98/537892298.db2.gz ZNQXCQZSABHZDW-HNNXBMFYSA-N 1 0 241.338 2.410 10 0 BEAERO Nc1ccc2c(c1)CC[N@H+](C1CCC1)CC2 ZINC000139811792 345202938 /nfs/dbraw/zinc/20/29/38/345202938.db2.gz CRSFNXWYTLCSFD-UHFFFAOYSA-N 1 0 216.328 2.222 10 0 BEAERO Cc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000635010952 345212928 /nfs/dbraw/zinc/21/29/28/345212928.db2.gz WTIOIFBRYAAMCN-VXGBXAGGSA-N 1 0 222.332 2.066 10 0 BEAERO Cc1ccc([C@@H](C)[NH3+])c(O[C@H]2CCC[C@@H]2O)c1 ZINC000110958671 178835158 /nfs/dbraw/zinc/83/51/58/178835158.db2.gz NBJUPJRLHJDHGV-WXHSDQCUSA-N 1 0 235.327 2.307 10 0 BEAERO C=C(C)CO[C@H]1C[NH2+]CC[C@H]1c1ccoc1 ZINC000139955212 345313242 /nfs/dbraw/zinc/31/32/42/345313242.db2.gz PIAUAAWDLXYKAZ-STQMWFEESA-N 1 0 221.300 2.318 10 0 BEAERO CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC1 ZINC000227728875 345355103 /nfs/dbraw/zinc/35/51/03/345355103.db2.gz IFQNVLQLZVJXSZ-VIFPVBQESA-N 1 0 228.336 2.042 10 0 BEAERO CC[NH+]1CCC(NOCc2ccccc2)CC1 ZINC000133568654 345379759 /nfs/dbraw/zinc/37/97/59/345379759.db2.gz NWCOJIALEVSDTK-UHFFFAOYSA-N 1 0 234.343 2.192 10 0 BEAERO Cc1ccc([C@@H]([NH3+])[C@H]2CCCO2)c(C)c1 ZINC000019971378 178858793 /nfs/dbraw/zinc/85/87/93/178858793.db2.gz URAUUURPAMIQDF-CHWSQXEVSA-N 1 0 205.301 2.482 10 0 BEAERO CCOC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000159206120 345415082 /nfs/dbraw/zinc/41/50/82/345415082.db2.gz GHZTUFJFKORUPR-UTUOFQBUSA-N 1 0 241.375 2.205 10 0 BEAERO C[NH2+][C@@H]1CSC[C@H]1Cc1ccsc1 ZINC000134585630 345416080 /nfs/dbraw/zinc/41/60/80/345416080.db2.gz VPAPMHXFQYPUBC-NXEZZACHSA-N 1 0 213.371 2.242 10 0 BEAERO CCC1CC[NH+]([C@@](C)(CN)C2CC2)CC1 ZINC000042446306 168530738 /nfs/dbraw/zinc/53/07/38/168530738.db2.gz SEVIPBGLFARHLT-ZDUSSCGKSA-N 1 0 210.365 2.236 10 0 BEAERO c1cc(SC2C[NH2+]C2)cc2c1CCC2 ZINC000054931788 345561492 /nfs/dbraw/zinc/56/14/92/345561492.db2.gz PYKXDWIJSMKZLX-UHFFFAOYSA-N 1 0 205.326 2.239 10 0 BEAERO COc1cccc([C@@H](O)[C@H]([NH3+])CC(C)C)c1 ZINC000054929596 345561839 /nfs/dbraw/zinc/56/18/39/345561839.db2.gz JSVJYTXIPHCJMM-CHWSQXEVSA-N 1 0 223.316 2.102 10 0 BEAERO COc1cccc([C@H](O)[C@H]([NH3+])CC(C)C)c1 ZINC000054929598 345562195 /nfs/dbraw/zinc/56/21/95/345562195.db2.gz JSVJYTXIPHCJMM-OLZOCXBDSA-N 1 0 223.316 2.102 10 0 BEAERO CCOC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000053884567 1172061837 /nfs/dbraw/zinc/06/18/37/1172061837.db2.gz ARVNRONGICIVHT-JSGCOSHPSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@@H]1Oc2cc(Br)c(F)cc2[C@@H]1[NH3+] ZINC000137656264 345669328 /nfs/dbraw/zinc/66/93/28/345669328.db2.gz HWDIASYDIKRVTK-AJAUBTJJSA-N 1 0 246.079 2.369 10 0 BEAERO Cc1ccc([C@H](C[NH3+])n2cc(Cl)cn2)cc1 ZINC000042906783 178905824 /nfs/dbraw/zinc/90/58/24/178905824.db2.gz RKUXUFCDGARJQE-LBPRGKRZSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1cccc([C@H](C)CN[C@@H]2CC[NH2+]C2)c1 ZINC000215652085 345742344 /nfs/dbraw/zinc/74/23/44/345742344.db2.gz MXELIPCCEYLUOI-TZMCWYRMSA-N 1 0 218.344 2.050 10 0 BEAERO c1ccc2c(c1)CC[C@@H](C[NH+]1CCOCC1)C2 ZINC000218910748 345744806 /nfs/dbraw/zinc/74/48/06/345744806.db2.gz VMYRIMCARBJRFR-CYBMUJFWSA-N 1 0 231.339 2.124 10 0 BEAERO Cc1ccc([C@H]([NH3+])Cc2ncc[nH]2)c(C)c1 ZINC000036946845 178908885 /nfs/dbraw/zinc/90/88/85/178908885.db2.gz SURBLHCTKRFHEZ-GFCCVEGCSA-N 1 0 215.300 2.269 10 0 BEAERO Clc1cccc2ccnc(N3CC[NH2+]CC3)c12 ZINC000082766303 345726879 /nfs/dbraw/zinc/72/68/79/345726879.db2.gz MIOKJOZKEAKZIE-UHFFFAOYSA-N 1 0 247.729 2.298 10 0 BEAERO Cc1ccc([C@H](O)C2CC[NH2+]CC2)cc1C ZINC000011630780 178911180 /nfs/dbraw/zinc/91/11/80/178911180.db2.gz UUYYMCTVTFFGCG-CQSZACIVSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1ccc([C@H](O)C(C)(C)C[NH3+])cc1C ZINC000082640504 178911312 /nfs/dbraw/zinc/91/13/12/178911312.db2.gz VDTSKJZKXBCHDM-LBPRGKRZSA-N 1 0 207.317 2.322 10 0 BEAERO C=Cn1c(CO)cc2c1[C@H](C)C[N@H+](C)[C@H]2C ZINC000257354045 345774414 /nfs/dbraw/zinc/77/44/14/345774414.db2.gz VJWGFAWQJOZHCK-ZJUUUORDSA-N 1 0 220.316 2.191 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@@H]1c1cc(F)cc(F)c1 ZINC000074001590 537910626 /nfs/dbraw/zinc/91/06/26/537910626.db2.gz PDEPJIGNWGLTQI-NWDGAFQWSA-N 1 0 226.270 2.059 10 0 BEAERO C[C@H]1CCCc2nc([C@H]3CCC[NH2+]C3)cn21 ZINC000258246661 345782545 /nfs/dbraw/zinc/78/25/45/345782545.db2.gz HMLPXJGJQGOZAD-QWRGUYRKSA-N 1 0 219.332 2.247 10 0 BEAERO C[C@H]1CCCc2nc([C@@H]3CCC[NH2+]C3)cn21 ZINC000258246665 345782798 /nfs/dbraw/zinc/78/27/98/345782798.db2.gz HMLPXJGJQGOZAD-WDEREUQCSA-N 1 0 219.332 2.247 10 0 BEAERO C[C@@H]1CCc2nc([C@@H]3CCCC[NH2+]3)cn2C1 ZINC000258487925 345784483 /nfs/dbraw/zinc/78/44/83/345784483.db2.gz QUCSTXBJJMZJDV-MNOVXSKESA-N 1 0 219.332 2.280 10 0 BEAERO C[NH+](C)CCOc1cccc2[nH]ccc21 ZINC000168749624 345822143 /nfs/dbraw/zinc/82/21/43/345822143.db2.gz YSRPCFRYXCITGL-UHFFFAOYSA-N 1 0 204.273 2.108 10 0 BEAERO [NH3+]CCN1c2ccccc2[C@@H]2CCC[C@@H]21 ZINC000137673718 345848297 /nfs/dbraw/zinc/84/82/97/345848297.db2.gz BPDJHMJWBAUWOX-AAEUAGOBSA-N 1 0 202.301 2.101 10 0 BEAERO CCCC[C@H](CC)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000251286753 535009387 /nfs/dbraw/zinc/00/93/87/535009387.db2.gz FQCMWVXOUKEKSH-FRRDWIJNSA-N 1 0 240.391 2.175 10 0 BEAERO Nc1ccc(-c2c[nH]c3cc[nH+]c(N)c32)cc1 ZINC000140607039 345855672 /nfs/dbraw/zinc/85/56/72/345855672.db2.gz QZAOLJGOUWBOCM-UHFFFAOYSA-N 1 0 224.267 2.394 10 0 BEAERO COC(=O)c1ccc([C@H](C)[NH3+])c(Cl)c1 ZINC000142968562 345864518 /nfs/dbraw/zinc/86/45/18/345864518.db2.gz VMMKBSSYZZSQBJ-LURJTMIESA-N 1 0 213.664 2.146 10 0 BEAERO OCCC1CC[NH+](CCCc2cccnc2)CC1 ZINC000034435478 345833571 /nfs/dbraw/zinc/83/35/71/345833571.db2.gz AUFKRODKGKQYEN-UHFFFAOYSA-N 1 0 248.370 2.109 10 0 BEAERO NC(=[NH2+])[C@H](O[C@H]1CCCCO1)c1ccccc1 ZINC000137331703 345840874 /nfs/dbraw/zinc/84/08/74/345840874.db2.gz YCRRNSOBYPJWGY-NWDGAFQWSA-N 1 0 234.299 2.207 10 0 BEAERO Cc1ccc([S@](=O)C[C@H]2CC[NH2+]C2)c(C)c1 ZINC000083309231 178934178 /nfs/dbraw/zinc/93/41/78/178934178.db2.gz HHWKKWUCMYKQND-LRDDRELGSA-N 1 0 237.368 2.021 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000252429055 345902259 /nfs/dbraw/zinc/90/22/59/345902259.db2.gz NVSCTBZAOHAOMG-VOAKCMCISA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(N)cc(Cl)c1 ZINC000148031244 346032348 /nfs/dbraw/zinc/03/23/48/346032348.db2.gz FDVANGJZRUXAGM-HQJQHLMTSA-N 1 0 210.708 2.420 10 0 BEAERO C[C@]1(C[NH3+])CCN(c2nccc3ccccc32)C1 ZINC000235735494 537939198 /nfs/dbraw/zinc/93/91/98/537939198.db2.gz ZNQXCQZSABHZDW-OAHLLOKOSA-N 1 0 241.338 2.410 10 0 BEAERO C[C@@H]1Oc2cc(F)c(Br)cc2[C@H]1[NH3+] ZINC000148400891 346087611 /nfs/dbraw/zinc/08/76/11/346087611.db2.gz FPSKEIWZXGUYPV-IGJIYHIXSA-N 1 0 246.079 2.369 10 0 BEAERO Cc1nc(C[C@H](F)[C@H]2CCC[NH2+]2)cs1 ZINC000235941451 346173317 /nfs/dbraw/zinc/17/33/17/346173317.db2.gz NWUCMVURZJNOQZ-VHSXEESVSA-N 1 0 214.309 2.084 10 0 BEAERO [NH3+]CC1(c2cccc(Cl)c2Cl)OCCO1 ZINC000236173906 346204933 /nfs/dbraw/zinc/20/49/33/346204933.db2.gz LZBPSFCZOPLORF-UHFFFAOYSA-N 1 0 248.109 2.152 10 0 BEAERO Cc1cccc(-n2ncc(C[NH2+]C(C)C)n2)c1 ZINC000051174758 179002098 /nfs/dbraw/zinc/00/20/98/179002098.db2.gz FSOIQKRVPSCLOM-UHFFFAOYSA-N 1 0 230.315 2.074 10 0 BEAERO Cc1cccc(=O)n1CC[NH2+]Cc1cccs1 ZINC000053534055 179003285 /nfs/dbraw/zinc/00/32/85/179003285.db2.gz BYBWSQMMFPXSKC-UHFFFAOYSA-N 1 0 248.351 2.008 10 0 BEAERO Cc1cccc(=O)n1CCCC[NH2+]CC(C)C ZINC000053534126 179003339 /nfs/dbraw/zinc/00/33/39/179003339.db2.gz DNMLXJJSFXTCIW-UHFFFAOYSA-N 1 0 236.359 2.183 10 0 BEAERO [NH3+][C@H](CC1OCCO1)c1ccc(Cl)s1 ZINC000236317186 346224912 /nfs/dbraw/zinc/22/49/12/346224912.db2.gz IRRLSCTYFGCXPV-ZCFIWIBFSA-N 1 0 233.720 2.164 10 0 BEAERO [NH3+][C@@H](CC1OCCO1)c1ccc(Cl)cc1F ZINC000236303255 346225572 /nfs/dbraw/zinc/22/55/72/346225572.db2.gz CBZUIZJOHKEKFK-JTQLQIEISA-N 1 0 245.681 2.242 10 0 BEAERO C[NH2+]C[C@H](C)c1ncc(Br)s1 ZINC000167376731 346241997 /nfs/dbraw/zinc/24/19/97/346241997.db2.gz ROTSKCDOPUGOJQ-YFKPBYRVSA-N 1 0 235.150 2.229 10 0 BEAERO Cc1cccc(C(=O)NC[C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000051573006 179018456 /nfs/dbraw/zinc/01/84/56/179018456.db2.gz FUAQBNQJPGYHML-GXTWGEPZSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1cccc(C(=O)N[C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000035690728 179020746 /nfs/dbraw/zinc/02/07/46/179020746.db2.gz VWLKWIKPZWUPJN-JSGCOSHPSA-N 1 0 246.354 2.255 10 0 BEAERO Cc1cccc(C)c1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282062015 179038464 /nfs/dbraw/zinc/03/84/64/179038464.db2.gz BNNBJPRSRWEPKP-JSGCOSHPSA-N 1 0 246.354 2.060 10 0 BEAERO Cc1cccc(C)c1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889477 179041867 /nfs/dbraw/zinc/04/18/67/179041867.db2.gz MKJNWIIFIUARQE-CQSZACIVSA-N 1 0 232.327 2.242 10 0 BEAERO Cc1cccc(C)c1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062889478 179042146 /nfs/dbraw/zinc/04/21/46/179042146.db2.gz MKJNWIIFIUARQE-AWEZNQCLSA-N 1 0 232.327 2.242 10 0 BEAERO Cc1cccc(C)c1NC(=O)[C@H]([NH3+])C(C)C ZINC000028636544 179042643 /nfs/dbraw/zinc/04/26/43/179042643.db2.gz PBFGPILOIKNDPQ-LLVKDONJSA-N 1 0 220.316 2.225 10 0 BEAERO Cc1cccc(C)c1OCC[NH2+]C1CC1 ZINC000020361150 179046394 /nfs/dbraw/zinc/04/63/94/179046394.db2.gz BPFWSIUVOIBLEK-UHFFFAOYSA-N 1 0 205.301 2.434 10 0 BEAERO Cc1cccc(C)c1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282062011 179036541 /nfs/dbraw/zinc/03/65/41/179036541.db2.gz BNNBJPRSRWEPKP-GXTWGEPZSA-N 1 0 246.354 2.060 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)CC1 ZINC000641771727 362710355 /nfs/dbraw/zinc/71/03/55/362710355.db2.gz BQTCJLNLNJPVAU-CQLXCSJHSA-N 1 0 211.349 2.316 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000052761997 346373229 /nfs/dbraw/zinc/37/32/29/346373229.db2.gz FUIPJLAPXUKRHH-LLVKDONJSA-N 1 0 209.289 2.017 10 0 BEAERO C[N@@H+]1Cc2ccc(NC[C@@H](O)C(C)(C)C)cc2C1 ZINC000574912379 346410096 /nfs/dbraw/zinc/41/00/96/346410096.db2.gz AFEPNULPNDYEKH-CQSZACIVSA-N 1 0 248.370 2.451 10 0 BEAERO C[C@](F)(C[NH3+])Cc1cccc(F)c1F ZINC000158254816 346391786 /nfs/dbraw/zinc/39/17/86/346391786.db2.gz RVTWKBVTFOBHDJ-SNVBAGLBSA-N 1 0 203.207 2.194 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CC1 ZINC000641790184 362724981 /nfs/dbraw/zinc/72/49/81/362724981.db2.gz UYKVQCNBNLONJY-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO Cc1cccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000294718538 179077436 /nfs/dbraw/zinc/07/74/36/179077436.db2.gz CJKBQUBQJLILNA-GXTWGEPZSA-N 1 0 219.328 2.340 10 0 BEAERO Cc1cccc(C[N@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000294718545 179077776 /nfs/dbraw/zinc/07/77/76/179077776.db2.gz CJKBQUBQJLILNA-OCCSQVGLSA-N 1 0 219.328 2.340 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)s1 ZINC000252725395 537980442 /nfs/dbraw/zinc/98/04/42/537980442.db2.gz DBXKTMQCMPZWAZ-INTQDDNPSA-N 1 0 240.372 2.406 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])C[C@H]1CCOC1 ZINC000160860509 346467770 /nfs/dbraw/zinc/46/77/70/346467770.db2.gz KHKFTSNGRCEVDH-NXEZZACHSA-N 1 0 211.330 2.483 10 0 BEAERO [NH3+]Cc1ccc(Br)c2cccnc12 ZINC000159285706 349963684 /nfs/dbraw/zinc/96/36/84/349963684.db2.gz MFZRBRDGFUUSGO-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO Cc1cccc(C[C@](C)(O)[C@@H]2CCC[NH2+]C2)c1 ZINC000104120953 179106699 /nfs/dbraw/zinc/10/66/99/179106699.db2.gz UXALIBDFYXRQEX-CABCVRRESA-N 1 0 233.355 2.288 10 0 BEAERO CC1(C)CCC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000102930813 346514021 /nfs/dbraw/zinc/51/40/21/346514021.db2.gz CJQQPOHISDSYPC-UHFFFAOYSA-N 1 0 238.375 2.263 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000037859924 179101769 /nfs/dbraw/zinc/10/17/69/179101769.db2.gz MSBVASQFWQWFMT-UONOGXRCSA-N 1 0 219.328 2.388 10 0 BEAERO COc1cc([C@@H]2CCC[C@@H](C)[NH2+]2)ccn1 ZINC000725242410 537983553 /nfs/dbraw/zinc/98/35/53/537983553.db2.gz ANKJOFURSWKHAT-KOLCDFICSA-N 1 0 206.289 2.293 10 0 BEAERO Cc1cccc(N(C)Cc2ccc(C[NH3+])cc2)n1 ZINC000037757939 179117429 /nfs/dbraw/zinc/11/74/29/179117429.db2.gz YZUVVBIZHUCYFP-UHFFFAOYSA-N 1 0 241.338 2.485 10 0 BEAERO Cc1cccc(N(C)[C@H](C[NH3+])[C@@H]2CCCOC2)c1 ZINC000104313153 179117504 /nfs/dbraw/zinc/11/75/04/179117504.db2.gz VBJGRGUQSCJLPL-UKRRQHHQSA-N 1 0 248.370 2.185 10 0 BEAERO O=C1CCC2(CC1)[NH2+]CCc1sccc12 ZINC000725242216 537984486 /nfs/dbraw/zinc/98/44/86/537984486.db2.gz MIBDECFHTQMKFF-UHFFFAOYSA-N 1 0 221.325 2.232 10 0 BEAERO Cc1cccc(N2CC[NH2+][C@@H](C)CC2)c1C ZINC000049661620 179121908 /nfs/dbraw/zinc/12/19/08/179121908.db2.gz ABIZOCOTHPHOJM-LBPRGKRZSA-N 1 0 218.344 2.492 10 0 BEAERO Cc1cccc(N2CC[NH2+]C[C@@H](C)C2)c1 ZINC000049661749 179122799 /nfs/dbraw/zinc/12/27/99/179122799.db2.gz ZTTYQUWQHDVMKK-GFCCVEGCSA-N 1 0 204.317 2.041 10 0 BEAERO Cc1cccc(N2CCC[C@H]2C[NH3+])c1C ZINC000033893028 179122838 /nfs/dbraw/zinc/12/28/38/179122838.db2.gz TZLPUKGAHQULMF-LBPRGKRZSA-N 1 0 204.317 2.231 10 0 BEAERO CCN(CCC[NH3+])c1cccc(C)c1C ZINC000020240165 259392286 /nfs/dbraw/zinc/39/22/86/259392286.db2.gz DGAGKORRJNUMAA-UHFFFAOYSA-N 1 0 206.333 2.479 10 0 BEAERO C[C@H]([NH3+])C[C@@H](O)c1ccc(Br)cc1 ZINC000164142548 346592612 /nfs/dbraw/zinc/59/26/12/346592612.db2.gz NAVJDCUCIUEXMA-OIBJUYFYSA-N 1 0 244.132 2.220 10 0 BEAERO CCC[NH2+][C@@H]1CCCc2[nH]c(=O)sc21 ZINC000164275745 346598201 /nfs/dbraw/zinc/59/82/01/346598201.db2.gz NQYOPYYVPXOKDS-SSDOTTSWSA-N 1 0 212.318 2.226 10 0 BEAERO Cc1cccc(NC(=O)CC[C@H]2CCCC[NH2+]2)n1 ZINC000050940729 179127748 /nfs/dbraw/zinc/12/77/48/179127748.db2.gz NHPVYXSZNXGLLX-GFCCVEGCSA-N 1 0 247.342 2.251 10 0 BEAERO Cc1cccc(N(CC[NH3+])Cc2ccccc2)n1 ZINC000038033119 179119709 /nfs/dbraw/zinc/11/97/09/179119709.db2.gz KMOYSPSAOAWCFB-UHFFFAOYSA-N 1 0 241.338 2.355 10 0 BEAERO Cc1cccc(NC(=O)NCC[NH2+]C(C)C)c1 ZINC000054266104 179135041 /nfs/dbraw/zinc/13/50/41/179135041.db2.gz OAXFLRDQRKAOCM-UHFFFAOYSA-N 1 0 235.331 2.115 10 0 BEAERO Fc1cc(N2CCC3(CC[NH2+]CC3)CC2)ccn1 ZINC000585681356 346654264 /nfs/dbraw/zinc/65/42/64/346654264.db2.gz SIGHRECOOXCUGD-UHFFFAOYSA-N 1 0 249.333 2.191 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])Cc1ccco1 ZINC000164878423 346630535 /nfs/dbraw/zinc/63/05/35/346630535.db2.gz PMMORIRJDDGDRP-SECBINFHSA-N 1 0 208.286 2.287 10 0 BEAERO Cc1ccc([C@H](O)[C@@H](C)[NH3+])cc1Br ZINC000164893952 346632509 /nfs/dbraw/zinc/63/25/09/346632509.db2.gz UCGWIPMXQRUODB-GMSGAONNSA-N 1 0 244.132 2.138 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000019488083 179139337 /nfs/dbraw/zinc/13/93/37/179139337.db2.gz ARBOOHRKBAEREK-YPMHNXCESA-N 1 0 232.327 2.464 10 0 BEAERO Cc1cccc(NC(=O)[C@@](C)([NH3+])C2CC2)c1C ZINC000037614345 179140644 /nfs/dbraw/zinc/14/06/44/179140644.db2.gz GACBXZOXPQUTFV-AWEZNQCLSA-N 1 0 232.327 2.369 10 0 BEAERO c1ccc2c(c1)n[nH]c2C[NH2+]CC[C@@H]1CCCO1 ZINC000589639680 346721384 /nfs/dbraw/zinc/72/13/84/346721384.db2.gz BSRJABSPKBOQAO-NSHDSACASA-N 1 0 245.326 2.222 10 0 BEAERO Cc1cc([C@H](O)[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000168002490 346724278 /nfs/dbraw/zinc/72/42/78/346724278.db2.gz GIAQYRWISNZHGT-QWRGUYRKSA-N 1 0 213.346 2.382 10 0 BEAERO Cc1cccc(NCCN(C)CCC[NH+](C)C)c1 ZINC000104192423 179145600 /nfs/dbraw/zinc/14/56/00/179145600.db2.gz FVGYSXAEOYZNGH-UHFFFAOYSA-N 1 0 249.402 2.290 10 0 BEAERO CCC[C@@H](C)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242752 537985592 /nfs/dbraw/zinc/98/55/92/537985592.db2.gz QAWMGLHVVCDMLS-KOLCDFICSA-N 1 0 207.321 2.043 10 0 BEAERO [NH3+]C[C@]1(c2ccccc2)CCCC2(C1)OCCO2 ZINC000168541593 346737362 /nfs/dbraw/zinc/73/73/62/346737362.db2.gz LMJFAXJCZHHOSP-AWEZNQCLSA-N 1 0 247.338 2.200 10 0 BEAERO Cc1cccc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000034475169 179154647 /nfs/dbraw/zinc/15/46/47/179154647.db2.gz RKJYKVWSSDQQNI-GFCCVEGCSA-N 1 0 204.317 2.467 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@H](C)CO ZINC000382059015 347120441 /nfs/dbraw/zinc/12/04/41/347120441.db2.gz GHBJUHQXECISAV-MXWKQRLJSA-N 1 0 235.318 2.418 10 0 BEAERO Cc1csc(O[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000299892178 347150088 /nfs/dbraw/zinc/15/00/88/347150088.db2.gz QDJCGZMGELHDEC-KYZUINATSA-N 1 0 212.318 2.100 10 0 BEAERO CC(C)(C)C1CCC2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000675055149 537986993 /nfs/dbraw/zinc/98/69/93/537986993.db2.gz YTXQJYQETKLSLI-IQLKVPPVSA-N 1 0 239.359 2.483 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000133044804 179183187 /nfs/dbraw/zinc/18/31/87/179183187.db2.gz XYKUUYKVFSWHSL-OCCSQVGLSA-N 1 0 246.354 2.266 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])OC[C@@H]2CCOC2)c1 ZINC000042969464 179184530 /nfs/dbraw/zinc/18/45/30/179184530.db2.gz GTMMXBDUKQKZMJ-TZMCWYRMSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1cccc([C@@H](CN)[N@@H+](C)C(C)C)c1 ZINC000022212872 179185482 /nfs/dbraw/zinc/18/54/82/179185482.db2.gz KVXJJOQQQNRCCM-CYBMUJFWSA-N 1 0 206.333 2.335 10 0 BEAERO Cc1cccc([C@@H]([NH3+])c2nccn2C)c1C ZINC000041042405 179186068 /nfs/dbraw/zinc/18/60/68/179186068.db2.gz FLGSXXFADCSEBN-GFCCVEGCSA-N 1 0 215.300 2.085 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000382100728 347171197 /nfs/dbraw/zinc/17/11/97/347171197.db2.gz GLDSCMYJYQBWQM-KZVDOYCCSA-N 1 0 222.376 2.390 10 0 BEAERO CCC[NH2+]C[C@@H]1CCc2ccc(OC)cc2O1 ZINC000038998286 347172291 /nfs/dbraw/zinc/17/22/91/347172291.db2.gz XDNDBBOVXOLMIV-ZDUSSCGKSA-N 1 0 235.327 2.388 10 0 BEAERO Cc1cccc([C@@H](O)[C@H]2CCCC[NH2+]2)c1 ZINC000041213747 179187685 /nfs/dbraw/zinc/18/76/85/179187685.db2.gz RYJUTEUDPAZKGE-CHWSQXEVSA-N 1 0 205.301 2.171 10 0 BEAERO C1=C(CC[NH+]2CCOCC2)c2ccccc2C1 ZINC000039170443 347182658 /nfs/dbraw/zinc/18/26/58/347182658.db2.gz TWCPUZDOUYMPKA-UHFFFAOYSA-N 1 0 229.323 2.348 10 0 BEAERO Cc1cccc([C@@H](O)[C@@H]2CCC[NH2+]2)c1C ZINC000041214061 179187767 /nfs/dbraw/zinc/18/77/67/179187767.db2.gz WGZIOTAVWHYBBX-QWHCGFSZSA-N 1 0 205.301 2.089 10 0 BEAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000034597926 347185637 /nfs/dbraw/zinc/18/56/37/347185637.db2.gz PAMGSSLIZHRTEC-SNVBAGLBSA-N 1 0 230.352 2.097 10 0 BEAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000382257323 347251094 /nfs/dbraw/zinc/25/10/94/347251094.db2.gz WLBALPCFNUYWIR-UMSGYPCISA-N 1 0 211.349 2.293 10 0 BEAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)C2CC2)c1 ZINC000042965925 179188433 /nfs/dbraw/zinc/18/84/33/179188433.db2.gz UUAIIOZRZXDUCU-SMDDNHRTSA-N 1 0 218.344 2.478 10 0 BEAERO CCN1CCC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250329569 362799965 /nfs/dbraw/zinc/79/99/65/362799965.db2.gz OHWMLHVCDQOEQZ-GHMZBOCLSA-N 1 0 210.346 2.232 10 0 BEAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282443810 179197009 /nfs/dbraw/zinc/19/70/09/179197009.db2.gz SBKATQWJQKWORV-OUCADQQQSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1cccc([S@@](=O)C2CCC([NH3+])CC2)c1 ZINC000055144903 179206938 /nfs/dbraw/zinc/20/69/38/179206938.db2.gz IAENTSBOUWDAFE-ZEPSKSRBSA-N 1 0 237.368 2.373 10 0 BEAERO CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC1=O ZINC000250507560 362807095 /nfs/dbraw/zinc/80/70/95/362807095.db2.gz ACSPJVMTHJDCIG-VXGBXAGGSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1cccc([C@H](O)C[NH2+]C(C)C)c1C ZINC000055028947 179202617 /nfs/dbraw/zinc/20/26/17/179202617.db2.gz IHFZCVKLFVDZMD-CYBMUJFWSA-N 1 0 207.317 2.335 10 0 BEAERO Cc1cccc([C@H]([NH2+]C2CCCCC2)C(N)=O)c1 ZINC000037969633 179202771 /nfs/dbraw/zinc/20/27/71/179202771.db2.gz LDULLSYQXDUAQZ-AWEZNQCLSA-N 1 0 246.354 2.444 10 0 BEAERO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)C2CC2)c1 ZINC000042965927 179203128 /nfs/dbraw/zinc/20/31/28/179203128.db2.gz UUAIIOZRZXDUCU-FZMZJTMJSA-N 1 0 218.344 2.478 10 0 BEAERO Cc1cccc([C@H]([C@@H](C)[NH3+])n2ccnc2)c1 ZINC000042967744 179203262 /nfs/dbraw/zinc/20/32/62/179203262.db2.gz NBIAEIWHRBCQGN-YPMHNXCESA-N 1 0 215.300 2.128 10 0 BEAERO Cn1cnc2c1[C@H](C1(C)CCCC1)[NH2+]CC2 ZINC000725242784 537989287 /nfs/dbraw/zinc/98/92/87/537989287.db2.gz TZVPJNUPAUSKOA-GFCCVEGCSA-N 1 0 219.332 2.187 10 0 BEAERO CC(C)C[C@H](N)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020073494 347403999 /nfs/dbraw/zinc/40/39/99/347403999.db2.gz PFEXFQONOYGOKR-UPJWGTAASA-N 1 0 212.381 2.338 10 0 BEAERO Clc1csc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250781918 362821019 /nfs/dbraw/zinc/82/10/19/362821019.db2.gz SBANEINHHJBXBI-QMMMGPOBSA-N 1 0 243.763 2.081 10 0 BEAERO [NH3+]C[C@](O)(C1CCCCCC1)C(F)(F)F ZINC000258969809 537989435 /nfs/dbraw/zinc/98/94/35/537989435.db2.gz UOYZADVKYDKRQB-VIFPVBQESA-N 1 0 225.254 2.209 10 0 BEAERO c1cc2c(o1)CC[NH2+][C@@]21C[C@@H]2CCC[C@@H]21 ZINC000725242869 537989540 /nfs/dbraw/zinc/98/95/40/537989540.db2.gz HIBWAUBCRGTXDN-OUJBWJOFSA-N 1 0 203.285 2.441 10 0 BEAERO CCCCOC[C@H](O)C[N@H+](CCC)C1CC1 ZINC000193246986 347393076 /nfs/dbraw/zinc/39/30/76/347393076.db2.gz YCBOGFCQCZEGSQ-CYBMUJFWSA-N 1 0 229.364 2.038 10 0 BEAERO c1cc2c(o1)CC[NH2+][C@@]21C[C@@H]2CCC[C@H]21 ZINC000725242868 537989780 /nfs/dbraw/zinc/98/97/80/537989780.db2.gz HIBWAUBCRGTXDN-OPQQBVKSSA-N 1 0 203.285 2.441 10 0 BEAERO Cc1cccc2oc(C[NH2+]C3CC3)nc21 ZINC000038052715 179232916 /nfs/dbraw/zinc/23/29/16/179232916.db2.gz HNLRQHGCPGJHDQ-UHFFFAOYSA-N 1 0 202.257 2.388 10 0 BEAERO Cc1cccc2sc([C@@H]3C[NH2+]CCO3)nc21 ZINC000083105550 179234251 /nfs/dbraw/zinc/23/42/51/179234251.db2.gz JXDUDGONQMUDER-VIFPVBQESA-N 1 0 234.324 2.266 10 0 BEAERO c1ccc2cc(OCC3C[NH2+]C3)ccc2c1 ZINC000204861292 347442528 /nfs/dbraw/zinc/44/25/28/347442528.db2.gz BWLWMKTYGGGQGT-UHFFFAOYSA-N 1 0 213.280 2.438 10 0 BEAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCCCC1 ZINC000616568333 347446807 /nfs/dbraw/zinc/44/68/07/347446807.db2.gz ATMWQHRGNJXOCW-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccccc1CN(C)c1ncccc1C[NH3+] ZINC000036791906 179271192 /nfs/dbraw/zinc/27/11/92/179271192.db2.gz YUIGAVOYPYQACQ-UHFFFAOYSA-N 1 0 241.338 2.485 10 0 BEAERO CCCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569362 347649354 /nfs/dbraw/zinc/64/93/54/347649354.db2.gz IRYINHMPXWHZOV-KBPBESRZSA-N 1 0 246.354 2.048 10 0 BEAERO CCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569365 347694116 /nfs/dbraw/zinc/69/41/16/347694116.db2.gz IRYINHMPXWHZOV-UONOGXRCSA-N 1 0 246.354 2.048 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000591835159 347703108 /nfs/dbraw/zinc/70/31/08/347703108.db2.gz CEIKKTVAYKDOKX-GARJFASQSA-N 1 0 215.362 2.039 10 0 BEAERO CCCCSC[C@H](O)C[NH+](CC)CC ZINC000196063421 347777933 /nfs/dbraw/zinc/77/79/33/347777933.db2.gz MTEDLOKDRBEAQR-LLVKDONJSA-N 1 0 219.394 2.222 10 0 BEAERO Cc1ccccc1C[C@@H](C)[NH2+]Cc1nccn1C ZINC000051923722 179289082 /nfs/dbraw/zinc/28/90/82/179289082.db2.gz LJNSGITWIIRWNB-CYBMUJFWSA-N 1 0 243.354 2.449 10 0 BEAERO Cc1ccccc1Cn1cc([C@@H](C)[NH3+])cn1 ZINC000054716875 179294251 /nfs/dbraw/zinc/29/42/51/179294251.db2.gz QTJUMHSUNDQBOY-LLVKDONJSA-N 1 0 215.300 2.260 10 0 BEAERO Cc1ccccc1N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070578038 179294406 /nfs/dbraw/zinc/29/44/06/179294406.db2.gz KQBBYMKRPVWDCL-STQMWFEESA-N 1 0 246.354 2.475 10 0 BEAERO Cc1ccccc1N(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070578039 179294414 /nfs/dbraw/zinc/29/44/14/179294414.db2.gz KQBBYMKRPVWDCL-CHWSQXEVSA-N 1 0 246.354 2.475 10 0 BEAERO Cc1ccccc1C[C@@H]1C[NH2+]CCS1 ZINC000071510911 179289835 /nfs/dbraw/zinc/28/98/35/179289835.db2.gz GDFBORBQLIRKSC-GFCCVEGCSA-N 1 0 207.342 2.243 10 0 BEAERO Cc1ccccc1C[C@H]([NH3+])C[C@@H]1CCCO1 ZINC000037466745 179292359 /nfs/dbraw/zinc/29/23/59/179292359.db2.gz XTFWFJLAZXCBFG-KBPBESRZSA-N 1 0 219.328 2.434 10 0 BEAERO Cc1ccccc1Cn1cc(C[C@H](C)[NH3+])cn1 ZINC000054741356 179292887 /nfs/dbraw/zinc/29/28/87/179292887.db2.gz PQWXMFKCKYSHHL-LBPRGKRZSA-N 1 0 229.327 2.130 10 0 BEAERO CC(C)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000171599993 535066287 /nfs/dbraw/zinc/06/62/87/535066287.db2.gz BHIYFKXXVZXVSV-UHFFFAOYSA-N 1 0 235.375 2.331 10 0 BEAERO Cc1ccccc1NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000019435336 179301998 /nfs/dbraw/zinc/30/19/98/179301998.db2.gz PPLMSTITAAIYEB-NWDGAFQWSA-N 1 0 232.327 2.322 10 0 BEAERO CC[C@@H]([NH3+])CNc1cccc(C(F)(F)F)n1 ZINC000082579389 347859467 /nfs/dbraw/zinc/85/94/67/347859467.db2.gz ONCLZFUIVBNFSU-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO Cc1ccccc1NC(=O)C1(C)CC[NH2+]CC1 ZINC000062839649 179297153 /nfs/dbraw/zinc/29/71/53/179297153.db2.gz KQGLSXJAUZUGNU-UHFFFAOYSA-N 1 0 232.327 2.323 10 0 BEAERO CC[C@@H]([NH3+])CNc1ncccc1C(F)(F)F ZINC000082579351 347858717 /nfs/dbraw/zinc/85/87/17/347858717.db2.gz BTLNUTBEUQUQKA-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO CC(C)C[NH2+]CCn1ccc(C2CC2)n1 ZINC000725243704 537993838 /nfs/dbraw/zinc/99/38/38/537993838.db2.gz DEQHRFLOSNHUMR-UHFFFAOYSA-N 1 0 207.321 2.006 10 0 BEAERO Cc1ccccc1[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC000041027774 179318195 /nfs/dbraw/zinc/31/81/95/179318195.db2.gz MXQPEBRPOJXIHA-OLZOCXBDSA-N 1 0 218.344 2.479 10 0 BEAERO CC(C)=CC(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616570156 347914392 /nfs/dbraw/zinc/91/43/92/347914392.db2.gz FHHWYFQCDYQMPK-UHFFFAOYSA-N 1 0 238.375 2.095 10 0 BEAERO Cc1ccccc1[C@@H]([NH2+]C1CCCC1)C(N)=O ZINC000037968867 179324467 /nfs/dbraw/zinc/32/44/67/179324467.db2.gz HVHGIIMCQLBBGR-CYBMUJFWSA-N 1 0 232.327 2.054 10 0 BEAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C1CC1 ZINC000043034388 179329054 /nfs/dbraw/zinc/32/90/54/179329054.db2.gz LNZZAWSMPRXVOB-SMDDNHRTSA-N 1 0 218.344 2.478 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]CCC1OCCO1 ZINC000125349912 179337422 /nfs/dbraw/zinc/33/74/22/179337422.db2.gz HVKYXSNOMMIJPO-LBPRGKRZSA-N 1 0 235.327 2.409 10 0 BEAERO CN(c1cccc(Cl)c1C[NH3+])C1CC1 ZINC000037081386 348016887 /nfs/dbraw/zinc/01/68/87/348016887.db2.gz HKPIEKYKQDILHM-UHFFFAOYSA-N 1 0 210.708 2.397 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CC2CCC1CC2 ZINC000725244040 537996119 /nfs/dbraw/zinc/99/61/19/537996119.db2.gz CZPJRTNYBIPNIF-MGULZYLOSA-N 1 0 239.359 2.483 10 0 BEAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCOC[C@@H]1C ZINC000043034884 179347413 /nfs/dbraw/zinc/34/74/13/179347413.db2.gz XRXJKDZDBYVLKF-YDHLFZDLSA-N 1 0 248.370 2.104 10 0 BEAERO CC(C)CC(=O)N1CC[C@@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616570570 348069003 /nfs/dbraw/zinc/06/90/03/348069003.db2.gz NIASOFOEXFHRMX-QWHCGFSZSA-N 1 0 240.391 2.254 10 0 BEAERO C[NH2+][C@H](c1ccccc1)[C@H]1CCC[C@H]1O ZINC000308696792 348074979 /nfs/dbraw/zinc/07/49/79/348074979.db2.gz MADZUUMZBFVKIY-YNEHKIRRSA-N 1 0 205.301 2.108 10 0 BEAERO Cc1ccccc1[C@H](CCC[NH3+])C(=O)NC(C)C ZINC000076634562 179340041 /nfs/dbraw/zinc/34/00/41/179340041.db2.gz JIBRWYMPEPBTKD-AWEZNQCLSA-N 1 0 248.370 2.342 10 0 BEAERO Cc1ccccc1[C@H](CC[NH3+])C(=O)NCC(C)C ZINC000076634102 179340104 /nfs/dbraw/zinc/34/01/04/179340104.db2.gz FDBAANBUJQJARU-AWEZNQCLSA-N 1 0 248.370 2.200 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])n1cc(Cl)cn1 ZINC000043037901 179341332 /nfs/dbraw/zinc/34/13/32/179341332.db2.gz KCXPPMNKVIXUPW-LBPRGKRZSA-N 1 0 235.718 2.393 10 0 BEAERO Cc1ccccc1[C@H](C[NH3+])OC[C@@H]1CCOC1 ZINC000043040560 179342194 /nfs/dbraw/zinc/34/21/94/179342194.db2.gz SLLIHGUCPWLPQV-OCCSQVGLSA-N 1 0 235.327 2.048 10 0 BEAERO Cc1cccnc1-c1cccc2c1O[C@H](C[NH3+])C2 ZINC000299763648 179357639 /nfs/dbraw/zinc/35/76/39/179357639.db2.gz QDXBHDJVALBRCB-LBPRGKRZSA-N 1 0 240.306 2.319 10 0 BEAERO Cc1ccccc1[S@@](=O)C[C@H]1CCC[NH2+]C1 ZINC000083296202 179352462 /nfs/dbraw/zinc/35/24/62/179352462.db2.gz YAXUWEAJDSDQSQ-BLLLJJGKSA-N 1 0 237.368 2.102 10 0 BEAERO CC[C@@H](C)[NH2+]C[C@H](O)C(Cl)(Cl)Cl ZINC000669381950 537999870 /nfs/dbraw/zinc/99/98/70/537999870.db2.gz BMEHLAYRRXAJGD-RITPCOANSA-N 1 0 234.554 2.106 10 0 BEAERO CCCC[C@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000306046747 187389137 /nfs/dbraw/zinc/38/91/37/187389137.db2.gz RFCBPCJWEPHMOP-NWDGAFQWSA-N 1 0 240.391 2.399 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2ccccc2CCO)C1 ZINC000616613553 349983629 /nfs/dbraw/zinc/98/36/29/349983629.db2.gz WFQRQCUSXVFWNX-CYBMUJFWSA-N 1 0 219.328 2.031 10 0 BEAERO CCC(CC)[NH2+]C[C@@H](O)C(Cl)(Cl)Cl ZINC000669382296 538000105 /nfs/dbraw/zinc/00/01/05/538000105.db2.gz JSEPAAKAQYNKRO-SSDOTTSWSA-N 1 0 248.581 2.496 10 0 BEAERO Cc1cccnc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000161797119 179382110 /nfs/dbraw/zinc/38/21/10/179382110.db2.gz RLPILNWNZXBFEB-AAEUAGOBSA-N 1 0 220.316 2.047 10 0 BEAERO CC[C@@H]1CS[C@]2(CS[C@H](C)C2)[NH2+]1 ZINC000251378713 362867981 /nfs/dbraw/zinc/86/79/81/362867981.db2.gz VROQSYYGOIRWRC-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO CC(C)[C@@H]1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245015 538000595 /nfs/dbraw/zinc/00/05/95/538000595.db2.gz CZZYZVPHLUIAOW-WZRBSPASSA-N 1 0 209.333 2.237 10 0 BEAERO C[NH2+]CCCc1cnn(C2CCCC2)c1 ZINC000054680830 348269195 /nfs/dbraw/zinc/26/91/95/348269195.db2.gz WAJKQDZTJJXXFC-UHFFFAOYSA-N 1 0 207.321 2.150 10 0 BEAERO Cc1cccnc1N[C@@H](C)C[NH+]1CCCC1 ZINC000051041089 179395067 /nfs/dbraw/zinc/39/50/67/179395067.db2.gz BPKBBEIUWZJQQE-LBPRGKRZSA-N 1 0 219.332 2.286 10 0 BEAERO OCC[C@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000336717931 187393372 /nfs/dbraw/zinc/39/33/72/187393372.db2.gz UUEOQMHUPFTMCD-ZIAGYGMSSA-N 1 0 231.339 2.173 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])[C@H]1CSCCS1 ZINC000251667712 362896180 /nfs/dbraw/zinc/89/61/80/362896180.db2.gz CGCCEGLXWRCDGM-YIZRAAEISA-N 1 0 205.392 2.208 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])[C@H]1CSCCS1 ZINC000251667708 362896357 /nfs/dbraw/zinc/89/63/57/362896357.db2.gz CGCCEGLXWRCDGM-DJLDLDEBSA-N 1 0 205.392 2.208 10 0 BEAERO C[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)C2=O)C1 ZINC000251701608 362899193 /nfs/dbraw/zinc/89/91/93/362899193.db2.gz ODLJUZYOGJJHAK-WDEREUQCSA-N 1 0 209.333 2.334 10 0 BEAERO Cc1ccnc(-c2nc(C)cc(C[C@H](C)[NH3+])n2)c1 ZINC000104427514 179415810 /nfs/dbraw/zinc/41/58/10/179415810.db2.gz KVDXQWRCVRPMBJ-JTQLQIEISA-N 1 0 242.326 2.045 10 0 BEAERO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccccn1 ZINC000127544624 187395051 /nfs/dbraw/zinc/39/50/51/187395051.db2.gz VWLMFORMOTUGEP-WCQYABFASA-N 1 0 222.332 2.139 10 0 BEAERO CC(C)([NH3+])CN1Cc2ccc(Cl)cc2C1 ZINC000058012160 187395074 /nfs/dbraw/zinc/39/50/74/187395074.db2.gz ZFMQBBJMGJBFNE-UHFFFAOYSA-N 1 0 224.735 2.393 10 0 BEAERO C[C@@H]1C[N@@H+]([C@H]2CCCC2(C)C)CCC1=O ZINC000251792783 362920537 /nfs/dbraw/zinc/92/05/37/362920537.db2.gz NNOCYVCTNKPCRO-PWSUYJOCSA-N 1 0 209.333 2.476 10 0 BEAERO Cc1ccnc(N(CC[NH3+])C2CCCCC2)c1 ZINC000104320703 179428778 /nfs/dbraw/zinc/42/87/78/179428778.db2.gz OCKNHXLFLJQHTO-UHFFFAOYSA-N 1 0 233.359 2.488 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1cc(Br)ccc1F ZINC000037381323 348394745 /nfs/dbraw/zinc/39/47/45/348394745.db2.gz JBBSYADOBQRXPS-CBAPKCEASA-N 1 0 230.080 2.403 10 0 BEAERO CC[C@H](C)c1nc([C@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669382889 538004410 /nfs/dbraw/zinc/00/44/10/538004410.db2.gz NHHYARQSCFKOAX-DTWKUNHWSA-N 1 0 221.304 2.120 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)C[NH2+]C2CC2)cc1 ZINC000037390223 348404321 /nfs/dbraw/zinc/40/43/21/348404321.db2.gz WXNZOBCSWQJZPS-LLVKDONJSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@H]([NH3+])[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000037424346 348431226 /nfs/dbraw/zinc/43/12/26/348431226.db2.gz AKRXMKWOOWJQHB-SSDLBLMSSA-N 1 0 220.099 2.374 10 0 BEAERO Cc1ccnc(N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000043561769 179461122 /nfs/dbraw/zinc/46/11/22/179461122.db2.gz ARNYPIIGCUGXJG-MNOVXSKESA-N 1 0 205.305 2.072 10 0 BEAERO Cc1ccnc(SC2CC[NH2+]CC2)c1 ZINC000095069302 179464077 /nfs/dbraw/zinc/46/40/77/179464077.db2.gz SYGSIAIMOKKLAR-UHFFFAOYSA-N 1 0 208.330 2.234 10 0 BEAERO CC[C@H](C)c1nc([C@@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669382890 538005617 /nfs/dbraw/zinc/00/56/17/538005617.db2.gz NHHYARQSCFKOAX-IUCAKERBSA-N 1 0 221.304 2.120 10 0 BEAERO [NH3+][C@H]1C[C@@]12CNc1c2cccc1C(F)(F)F ZINC000725246909 538009056 /nfs/dbraw/zinc/00/90/56/538009056.db2.gz APCKXFZRSPXWKV-WPRPVWTQSA-N 1 0 228.217 2.100 10 0 BEAERO Cc1cnc(C[NH2+][C@@H](C)C2(C)CC2)cn1 ZINC000061320420 179605561 /nfs/dbraw/zinc/60/55/61/179605561.db2.gz PHTGAGJWLXRPDC-JTQLQIEISA-N 1 0 205.305 2.063 10 0 BEAERO CC[N@H+](C)Cc1ccc(N)cc1Br ZINC000037460464 348615020 /nfs/dbraw/zinc/61/50/20/348615020.db2.gz ZUEWXBNQEGEERQ-UHFFFAOYSA-N 1 0 243.148 2.483 10 0 BEAERO CCCN1C[C@]2(C[C@H]2[NH3+])c2cc(C)ccc21 ZINC000725246945 538009529 /nfs/dbraw/zinc/00/95/29/538009529.db2.gz BJWJKNXVHFYOCV-ZIAGYGMSSA-N 1 0 216.328 2.194 10 0 BEAERO Cc1ccc2c(c1Cl)NC[C@@]21C[C@H]1[NH3+] ZINC000725246899 538009632 /nfs/dbraw/zinc/00/96/32/538009632.db2.gz ADUCDHONSHYVOH-KCJUWKMLSA-N 1 0 208.692 2.043 10 0 BEAERO [NH3+][C@@H]1C[C@]12CNc1cc(Cl)cc(Cl)c12 ZINC000725247075 538011300 /nfs/dbraw/zinc/01/13/00/538011300.db2.gz GQXAMYOAPLVECT-SCZZXKLOSA-N 1 0 229.110 2.388 10 0 BEAERO Cc1c2c(ccc1Cl)[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725247087 538012257 /nfs/dbraw/zinc/01/22/57/538012257.db2.gz GUUNLCLDKACBFW-ONGXEEELSA-N 1 0 208.692 2.043 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000054075030 348876906 /nfs/dbraw/zinc/87/69/06/348876906.db2.gz GGHAEFZTUINDCO-NEPJUHHUSA-N 1 0 234.343 2.122 10 0 BEAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000054075029 348877184 /nfs/dbraw/zinc/87/71/84/348877184.db2.gz GGHAEFZTUINDCO-VXGBXAGGSA-N 1 0 234.343 2.122 10 0 BEAERO CC(C)(C)COC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000669384800 538018252 /nfs/dbraw/zinc/01/82/52/538018252.db2.gz GTVOWFJKVBLHNL-VIFPVBQESA-N 1 0 215.337 2.339 10 0 BEAERO CCN(C)C[C@H]1CCC2(CCCC2)C[NH2+]1 ZINC000669385103 538019164 /nfs/dbraw/zinc/01/91/64/538019164.db2.gz YCPMULDNYKNAGC-GFCCVEGCSA-N 1 0 210.365 2.251 10 0 BEAERO COc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054289946 348961803 /nfs/dbraw/zinc/96/18/03/348961803.db2.gz RVIUHAVTUZBVDI-LLVKDONJSA-N 1 0 248.326 2.023 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290279 348962100 /nfs/dbraw/zinc/96/21/00/348962100.db2.gz FYIAMSFWFSFEIF-AGIUHOORSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290558 348962170 /nfs/dbraw/zinc/96/21/70/348962170.db2.gz GAHRAOAQTOPGNJ-LBPRGKRZSA-N 1 0 232.327 2.323 10 0 BEAERO CCN(C(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054290219 348962261 /nfs/dbraw/zinc/96/22/61/348962261.db2.gz NNSNYNKQVRACFV-ZDUSSCGKSA-N 1 0 246.354 2.429 10 0 BEAERO CCN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000054290828 348962780 /nfs/dbraw/zinc/96/27/80/348962780.db2.gz XGDQCSRPQHAASA-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1cnn([C@H](c2ccc(C)o2)[C@H](C)[NH3+])c1 ZINC000043365521 179748249 /nfs/dbraw/zinc/74/82/49/179748249.db2.gz YTHCVRVQINNHKY-JQWIXIFHSA-N 1 0 219.288 2.030 10 0 BEAERO CC(C)Cc1ccc([C@](C)([NH3+])CO)cc1 ZINC000038124475 187420508 /nfs/dbraw/zinc/42/05/08/187420508.db2.gz UWEWKWUIFNNQNI-CYBMUJFWSA-N 1 0 207.317 2.051 10 0 BEAERO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)C1CC1 ZINC000037889350 187425142 /nfs/dbraw/zinc/42/51/42/187425142.db2.gz XLJYKDMOIMTBFG-OCCSQVGLSA-N 1 0 249.354 2.123 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000308881627 349017944 /nfs/dbraw/zinc/01/79/44/349017944.db2.gz QNCJLYODXVEFJF-MWLCHTKSSA-N 1 0 211.284 2.028 10 0 BEAERO Cc1cnn([C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042902816 179745221 /nfs/dbraw/zinc/74/52/21/179745221.db2.gz HXLXKWQPTDDOMA-DGCLKSJQSA-N 1 0 215.300 2.128 10 0 BEAERO CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000082917912 349082872 /nfs/dbraw/zinc/08/28/72/349082872.db2.gz DNQXICUIHJSVPX-TZMCWYRMSA-N 1 0 219.328 2.282 10 0 BEAERO COc1ccc(F)cc1C(=O)c1ccc(C[NH3+])o1 ZINC000041302747 187429045 /nfs/dbraw/zinc/42/90/45/187429045.db2.gz QUKVRCGJNPYABH-UHFFFAOYSA-N 1 0 249.241 2.117 10 0 BEAERO CC(C)(C)C(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616571779 349060473 /nfs/dbraw/zinc/06/04/73/349060473.db2.gz NEUMJUPCSFMRCI-UHFFFAOYSA-N 1 0 240.391 2.175 10 0 BEAERO O=c1oc2ccccc2n1CC[C@@H]1CCCC[NH2+]1 ZINC000041650134 187429381 /nfs/dbraw/zinc/42/93/81/187429381.db2.gz KMEGYIMNVRWAKD-NSHDSACASA-N 1 0 246.310 2.127 10 0 BEAERO C/C=C/C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000616572614 349062206 /nfs/dbraw/zinc/06/22/06/349062206.db2.gz SVKOWMINNYHJHH-XGQHYKRYSA-N 1 0 230.311 2.042 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000616577049 349112220 /nfs/dbraw/zinc/11/22/20/349112220.db2.gz HPORROZHUSQXEC-BBBLOLIVSA-N 1 0 213.321 2.092 10 0 BEAERO CC(=O)c1cccc(-c2cnc(C[NH3+])s2)c1 ZINC000616579142 349131361 /nfs/dbraw/zinc/13/13/61/349131361.db2.gz RCBVKBLONHTIFX-UHFFFAOYSA-N 1 0 232.308 2.471 10 0 BEAERO CCOC(=O)[C@@H](C)[N@H+](C)CC1CC(C)(C)C1 ZINC000599328301 349156656 /nfs/dbraw/zinc/15/66/56/349156656.db2.gz XDHCQJNIDPPTCO-SNVBAGLBSA-N 1 0 227.348 2.306 10 0 BEAERO O[C@H]1CCC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000599516512 349205218 /nfs/dbraw/zinc/20/52/18/349205218.db2.gz HSABMUJLFBWOIL-NEPJUHHUSA-N 1 0 242.322 2.372 10 0 BEAERO CCNc1ccc2[nH]c3c(c2c1)CC[NH2+]C3 ZINC000725253630 538037870 /nfs/dbraw/zinc/03/78/70/538037870.db2.gz CDZVZXQVVKEIDV-UHFFFAOYSA-N 1 0 215.300 2.245 10 0 BEAERO CC(C)(C)[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616580576 349258120 /nfs/dbraw/zinc/25/81/20/349258120.db2.gz YKAQCSQOULIHNO-NSHDSACASA-N 1 0 208.349 2.001 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(CC)C1 ZINC000388620856 349275110 /nfs/dbraw/zinc/27/51/10/349275110.db2.gz HCWNRHXJBMQZQL-JHJVBQTASA-N 1 0 210.365 2.249 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(CC)C1 ZINC000388620854 349275563 /nfs/dbraw/zinc/27/55/63/349275563.db2.gz HCWNRHXJBMQZQL-AGIUHOORSA-N 1 0 210.365 2.249 10 0 BEAERO O=C1CCCC[C@@H]1[C@@H]1[NH2+]C[C@H]2CCC[C@@H]12 ZINC000299895438 349277374 /nfs/dbraw/zinc/27/73/74/349277374.db2.gz HDGHIIMJQRNEFX-HNCHTBHHSA-N 1 0 207.317 2.134 10 0 BEAERO Fc1cc2c3c([nH]c2c(F)c1F)C[NH2+]CC3 ZINC000725253781 538039587 /nfs/dbraw/zinc/03/95/87/538039587.db2.gz LNCZAGQGYLCYHI-UHFFFAOYSA-N 1 0 226.201 2.231 10 0 BEAERO [NH3+]Cc1nsc2c1c(F)c(F)c(F)c2F ZINC000725254054 538043110 /nfs/dbraw/zinc/04/31/10/538043110.db2.gz DBPWASNCGLPTEL-UHFFFAOYSA-N 1 0 236.193 2.311 10 0 BEAERO Cc1nc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])cs1 ZINC000044609616 179949102 /nfs/dbraw/zinc/94/91/02/179949102.db2.gz BMHBIQOMHFBPMA-NWDGAFQWSA-N 1 0 239.388 2.153 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ncnc2ccccc21 ZINC000070463624 350014411 /nfs/dbraw/zinc/01/44/11/350014411.db2.gz DOLQJCBBRVXEIL-NSHDSACASA-N 1 0 230.315 2.025 10 0 BEAERO CC(C)C[C@H]([NH3+])CNCc1cccs1 ZINC000040397566 191001514 /nfs/dbraw/zinc/00/15/14/191001514.db2.gz DXHKHZDEPZBIJT-JTQLQIEISA-N 1 0 212.362 2.211 10 0 BEAERO C[C@H]1CCCN(Cc2csc(C[NH3+])n2)[C@H]1C ZINC000251557329 538046115 /nfs/dbraw/zinc/04/61/15/538046115.db2.gz AEEQRUVKWMIWGF-UWVGGRQHSA-N 1 0 239.388 2.222 10 0 BEAERO Fc1ccc(F)c(C2C[NH2+]C2)c1Br ZINC000403181001 350082212 /nfs/dbraw/zinc/08/22/12/350082212.db2.gz PMOYOGWTDCNSNC-UHFFFAOYSA-N 1 0 248.070 2.414 10 0 BEAERO Cc1ccc(C[C@@H](C)[NH2+]CC(C)(C)O)s1 ZINC000070716573 350052227 /nfs/dbraw/zinc/05/22/27/350052227.db2.gz PXEPRNQTBVZHAU-SECBINFHSA-N 1 0 227.373 2.348 10 0 BEAERO Cc1nc(C[C@@H]([NH3+])c2ccccn2)sc1C ZINC000036279616 179981971 /nfs/dbraw/zinc/98/19/71/179981971.db2.gz WDHQLRYFNOTVRO-SNVBAGLBSA-N 1 0 233.340 2.397 10 0 BEAERO Cc1nc(Cc2ncc([C@@H](C)[NH3+])c(C)n2)cs1 ZINC000055296857 179985216 /nfs/dbraw/zinc/98/52/16/179985216.db2.gz RFIKFDSXBUHEEZ-SSDOTTSWSA-N 1 0 248.355 2.160 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ncccn1 ZINC000616613826 350067919 /nfs/dbraw/zinc/06/79/19/350067919.db2.gz BRRSHXUWLGBYHA-LLVKDONJSA-N 1 0 205.305 2.412 10 0 BEAERO Cc1csc(CC(=[NH2+])NC(C)(C)C)n1 ZINC000062994860 350111704 /nfs/dbraw/zinc/11/17/04/350111704.db2.gz JSDKEXYKEUJERW-UHFFFAOYSA-N 1 0 211.334 2.359 10 0 BEAERO Cc1nc(N2Cc3ccccc3C2)sc1C[NH3+] ZINC000054998252 180004855 /nfs/dbraw/zinc/00/48/55/180004855.db2.gz WPJSNKJGKSMSAO-UHFFFAOYSA-N 1 0 245.351 2.430 10 0 BEAERO Cc1nc(NC(C)(C)C)sc1CC[NH3+] ZINC000057496922 180016413 /nfs/dbraw/zinc/01/64/13/180016413.db2.gz NVFPDUIVPRNQLX-UHFFFAOYSA-N 1 0 213.350 2.163 10 0 BEAERO Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000335577375 180021952 /nfs/dbraw/zinc/02/19/52/180021952.db2.gz DGCNQAUFIXHJHS-VHSXEESVSA-N 1 0 225.361 2.442 10 0 BEAERO Cc1nc([C@@H]([NH3+])Cc2ccco2)cs1 ZINC000082376878 180038996 /nfs/dbraw/zinc/03/89/96/180038996.db2.gz SMIQQQQLOSYFLD-VIFPVBQESA-N 1 0 208.286 2.287 10 0 BEAERO Cc1[nH+]c([C@H](C)c2ccccc2)c(N)n1C ZINC000104912096 180052881 /nfs/dbraw/zinc/05/28/81/180052881.db2.gz RWLQIDMTWSFBSF-SECBINFHSA-N 1 0 215.300 2.463 10 0 BEAERO Cc1nc([C@H]([NH3+])Cc2ccccn2)cs1 ZINC000082366340 180053433 /nfs/dbraw/zinc/05/34/33/180053433.db2.gz GDYJJSORCSIIIP-SNVBAGLBSA-N 1 0 219.313 2.089 10 0 BEAERO Cc1nc([C@H]2CCCO2)sc1[C@H](C)[NH3+] ZINC000082420718 180056868 /nfs/dbraw/zinc/05/68/68/180056868.db2.gz NEMSDFLEDKFITB-POYBYMJQSA-N 1 0 212.318 2.323 10 0 BEAERO Cc1nc([C@H]2CCC[NH2+]C2)nc2c1CCCC2 ZINC000082546192 180058045 /nfs/dbraw/zinc/05/80/45/180058045.db2.gz IQPFWISMVWNBRA-NSHDSACASA-N 1 0 231.343 2.131 10 0 BEAERO Cc1nc([C@](C)([NH3+])C2CCCCC2)no1 ZINC000037367377 180058132 /nfs/dbraw/zinc/05/81/32/180058132.db2.gz QCPCTBMPTTWZPW-LLVKDONJSA-N 1 0 209.293 2.132 10 0 BEAERO Cc1nc([C@]2([NH3+])C[C@@H](C)CC(C)(C)C2)no1 ZINC000036762413 180060552 /nfs/dbraw/zinc/06/05/52/180060552.db2.gz QRCKZJUMXYBVQZ-UFBFGSQYSA-N 1 0 223.320 2.378 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000132519801 191032676 /nfs/dbraw/zinc/03/26/76/191032676.db2.gz SFJDCKIOEJWCOY-QWRGUYRKSA-N 1 0 239.388 2.278 10 0 BEAERO Cc1cccc(C[NH2+]CC[C@H](C)[S@@](C)=O)c1 ZINC000132568652 191034723 /nfs/dbraw/zinc/03/47/23/191034723.db2.gz BMKDOULFJJPOEN-LRDDRELGSA-N 1 0 239.384 2.242 10 0 BEAERO Cc1[nH]c2ccc(N[C@@H]3CCCOC3)cc2[nH+]1 ZINC000070464645 180096872 /nfs/dbraw/zinc/09/68/72/180096872.db2.gz PXCGNDSODZECDA-LLVKDONJSA-N 1 0 231.299 2.462 10 0 BEAERO Cc1nc2ccccc2nc1N(C)[C@H](C)CC[NH3+] ZINC000063086423 180106077 /nfs/dbraw/zinc/10/60/77/180106077.db2.gz KRPZNLRKWWBXGW-SNVBAGLBSA-N 1 0 244.342 2.112 10 0 BEAERO Cc1nc2ccccc2nc1N[C@H]1CCC[C@H]1[NH3+] ZINC000063177237 180106100 /nfs/dbraw/zinc/10/61/00/180106100.db2.gz UVBIFFAXCLCHTH-MNOVXSKESA-N 1 0 242.326 2.230 10 0 BEAERO C[C@H](C[NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000083021607 538062567 /nfs/dbraw/zinc/06/25/67/538062567.db2.gz HOQPOWQDHWWGMD-GMSGAONNSA-N 1 0 244.132 2.077 10 0 BEAERO C[C@@H](C[NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000083021539 538062091 /nfs/dbraw/zinc/06/20/91/538062091.db2.gz MUPRBTBUCCHHTQ-YLWLKBPMSA-N 1 0 205.710 2.030 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000133059500 191036442 /nfs/dbraw/zinc/03/64/42/191036442.db2.gz IJILVFAXLKUUSO-NEPJUHHUSA-N 1 0 211.349 2.317 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CC2)o1 ZINC000133152123 191038288 /nfs/dbraw/zinc/03/82/88/191038288.db2.gz HBLQCGWUZRGSAC-LLVKDONJSA-N 1 0 223.316 2.401 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000124458002 180110986 /nfs/dbraw/zinc/11/09/86/180110986.db2.gz CESHWXKIGUVWNQ-OLZOCXBDSA-N 1 0 246.358 2.367 10 0 BEAERO CSCCCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000133606135 191041861 /nfs/dbraw/zinc/04/18/61/191041861.db2.gz XNSMVUABDHZBHI-MNOVXSKESA-N 1 0 217.378 2.144 10 0 BEAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000083021603 538062293 /nfs/dbraw/zinc/06/22/93/538062293.db2.gz HOQPOWQDHWWGMD-XVKPBYJWSA-N 1 0 244.132 2.077 10 0 BEAERO CC[C@H](COC)[NH2+]CCCCSC ZINC000133717739 191043302 /nfs/dbraw/zinc/04/33/02/191043302.db2.gz AURKSLZARCIBJX-SNVBAGLBSA-N 1 0 205.367 2.144 10 0 BEAERO Cc1cc(N[C@@H]2CCCC[C@@H]2[NH3+])nc(Cl)n1 ZINC000095068965 191053809 /nfs/dbraw/zinc/05/38/09/191053809.db2.gz KTWYUVZZNUIAEI-DTWKUNHWSA-N 1 0 240.738 2.120 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000309676650 191065251 /nfs/dbraw/zinc/06/52/51/191065251.db2.gz LXRYRLNODVBXEC-NWDGAFQWSA-N 1 0 221.348 2.080 10 0 BEAERO Cc1nccc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000104236164 180189984 /nfs/dbraw/zinc/18/99/84/180189984.db2.gz WJFJSYVEOQXVCD-XQQFMLRXSA-N 1 0 231.343 2.311 10 0 BEAERO Cc1nccc(C[NH2+][C@@H](C)C2(C)CC2)n1 ZINC000038037579 180190829 /nfs/dbraw/zinc/19/08/29/180190829.db2.gz LQPGXZGWPJUOMW-VIFPVBQESA-N 1 0 205.305 2.063 10 0 BEAERO CCC[C@@](C[NH3+])(c1ccccc1)[C@@H](C)CO ZINC000309220443 350203399 /nfs/dbraw/zinc/20/33/99/350203399.db2.gz OITZMAMFOBDLDE-JSGCOSHPSA-N 1 0 221.344 2.312 10 0 BEAERO [NH3+]C[C@H]1CCc2ccc(C(F)(F)F)cc2O1 ZINC000221272071 350203808 /nfs/dbraw/zinc/20/38/08/350203808.db2.gz VLXNVAFXXNUPDV-SECBINFHSA-N 1 0 231.217 2.358 10 0 BEAERO Cc1nccc(NC2(C[NH3+])CCC(C)CC2)n1 ZINC000104310023 180198273 /nfs/dbraw/zinc/19/82/73/180198273.db2.gz VYOJXAMDVGRTOA-UHFFFAOYSA-N 1 0 234.347 2.105 10 0 BEAERO Cc1nccc(Oc2ccccc2C[NH3+])n1 ZINC000054937306 180207856 /nfs/dbraw/zinc/20/78/56/180207856.db2.gz XLQXNTGGBJGNKA-UHFFFAOYSA-N 1 0 215.256 2.036 10 0 BEAERO Cc1nccc(C[NH2+]C[C@H]2CC=CCC2)n1 ZINC000037997775 180189768 /nfs/dbraw/zinc/18/97/68/180189768.db2.gz WJULZOIGPMEYGM-LBPRGKRZSA-N 1 0 217.316 2.231 10 0 BEAERO Cc1nccn1[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042947337 180272590 /nfs/dbraw/zinc/27/25/90/180272590.db2.gz JRIPKQKPRWIJDL-GFCCVEGCSA-N 1 0 235.718 2.393 10 0 BEAERO CCCC1CCC([NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000309100540 323316819 /nfs/dbraw/zinc/31/68/19/323316819.db2.gz GMXOHECHIKLGSR-PYNQCMFNSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1nccn1CCOc1ccc([C@@H](C)[NH3+])cc1 ZINC000049329342 180262341 /nfs/dbraw/zinc/26/23/41/180262341.db2.gz QOHLTPSSOXSALQ-LLVKDONJSA-N 1 0 245.326 2.290 10 0 BEAERO Cc1nccn1CCOc1cccc([C@@H](C)[NH3+])c1 ZINC000049329356 180262478 /nfs/dbraw/zinc/26/24/78/180262478.db2.gz HUNJSPPQAHAQTP-LLVKDONJSA-N 1 0 245.326 2.290 10 0 BEAERO Cc1nccn1[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973153 180270871 /nfs/dbraw/zinc/27/08/71/180270871.db2.gz MQCRFLSXJNETHD-NOZJJQNGSA-N 1 0 233.290 2.267 10 0 BEAERO CC(C)[C@@H]1CCc2nc(C[NH3+])sc2C1 ZINC000054556828 350279584 /nfs/dbraw/zinc/27/95/84/350279584.db2.gz SYRMYHVNVPXVPH-MRVPVSSYSA-N 1 0 210.346 2.363 10 0 BEAERO Cc1nccn1[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915856 180271978 /nfs/dbraw/zinc/27/19/78/180271978.db2.gz MLJBYISACZGJDJ-ZANVPECISA-N 1 0 233.290 2.267 10 0 BEAERO Cc1nccn1[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000023069055 180272136 /nfs/dbraw/zinc/27/21/36/180272136.db2.gz KORPKIZVVPVRJG-VXGBXAGGSA-N 1 0 207.321 2.414 10 0 BEAERO Cc1ncn(CC[C@H]2CCCC[NH2+]2)c1C ZINC000051927090 180288356 /nfs/dbraw/zinc/28/83/56/180288356.db2.gz IFNDBKBVIOLAOR-GFCCVEGCSA-N 1 0 207.321 2.032 10 0 BEAERO Cc1ncn([C@@H]2COc3ccccc3[C@H]2[NH3+])c1C ZINC000051926485 180288697 /nfs/dbraw/zinc/28/86/97/180288697.db2.gz OWPDHQGHSRHIOS-TZMCWYRMSA-N 1 0 243.310 2.133 10 0 BEAERO Cc1ncn([C@H]2COc3ccccc3[C@H]2[NH3+])c1C ZINC000051926486 180288941 /nfs/dbraw/zinc/28/89/41/180288941.db2.gz OWPDHQGHSRHIOS-GXTWGEPZSA-N 1 0 243.310 2.133 10 0 BEAERO Cc1ncn([C@@H](C[NH3+])c2ccsc2)c1C ZINC000051925753 180289181 /nfs/dbraw/zinc/28/91/81/180289181.db2.gz RHPUDDKWOGQJED-NSHDSACASA-N 1 0 221.329 2.110 10 0 BEAERO Cc1ncn([C@H]2CCCCC[C@H]2[NH3+])c1C ZINC000051926506 180289698 /nfs/dbraw/zinc/28/96/98/180289698.db2.gz VXNNSWQIHMITJY-NEPJUHHUSA-N 1 0 207.321 2.332 10 0 BEAERO CCCC(=O)N1c2ccccc2CCC[C@@H]1C[NH3+] ZINC000725262873 538088960 /nfs/dbraw/zinc/08/89/60/538088960.db2.gz QCWVKJFVRRHFJV-CYBMUJFWSA-N 1 0 246.354 2.483 10 0 BEAERO Cc1ncsc1CCOC1CCC([NH3+])CC1 ZINC000055143215 180310560 /nfs/dbraw/zinc/31/05/60/180310560.db2.gz HNPPAJRLYLVCIP-UHFFFAOYSA-N 1 0 240.372 2.281 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]Cc1cn[nH]c1 ZINC000038006402 180326785 /nfs/dbraw/zinc/32/67/85/180326785.db2.gz ODZZQLGJXJWDMT-ZETCQYMHSA-N 1 0 222.317 2.025 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000037201952 180327362 /nfs/dbraw/zinc/32/73/62/180327362.db2.gz AVOQENHVEMWRIY-WHXUTIOJSA-N 1 0 240.372 2.406 10 0 BEAERO Cc1nn(-c2cccc(F)c2)c(C)c1CC[NH3+] ZINC000041260628 180329589 /nfs/dbraw/zinc/32/95/89/180329589.db2.gz UMYUGEYHSPRKCE-UHFFFAOYSA-N 1 0 233.290 2.129 10 0 BEAERO Cc1nn(-c2ccc(F)cc2)c(C)c1CC[NH3+] ZINC000041260620 180329695 /nfs/dbraw/zinc/32/96/95/180329695.db2.gz HLKWMNLEQNNMHL-UHFFFAOYSA-N 1 0 233.290 2.129 10 0 BEAERO Cc1nn(C)c(C)c1[C@H]([NH3+])c1ccccc1F ZINC000075872397 180350102 /nfs/dbraw/zinc/35/01/02/180350102.db2.gz ZIVXAHIXVANNIR-CYBMUJFWSA-N 1 0 233.290 2.224 10 0 BEAERO Cc1c(N)cncc1C1=CC[C@]2(C[C@@H]2[NH3+])CC1 ZINC000725265119 538093068 /nfs/dbraw/zinc/09/30/68/538093068.db2.gz GXTHDMZKUGOETO-UONOGXRCSA-N 1 0 229.327 2.257 10 0 BEAERO CC[C@@H]1CCc2[nH]nc(C3=CC[NH2+]CC3)c2C1 ZINC000725265632 538093423 /nfs/dbraw/zinc/09/34/23/538093423.db2.gz QOEOJWYOAJRJSC-SNVBAGLBSA-N 1 0 231.343 2.301 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2cccc3nnccc32)CC1 ZINC000616592699 350469275 /nfs/dbraw/zinc/46/92/75/350469275.db2.gz GAHNTHYPGQUFND-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CCOc1cccc([C@@H]2C[NH2+]C[C@H]2CF)c1 ZINC000409423710 350474901 /nfs/dbraw/zinc/47/49/01/350474901.db2.gz UIWLSRHZLVRUGQ-YPMHNXCESA-N 1 0 223.291 2.358 10 0 BEAERO C[C@H]1C[C@H](n2cc(C[NH3+])nn2)CC(C)(C)C1 ZINC000409424846 350475908 /nfs/dbraw/zinc/47/59/08/350475908.db2.gz YTNQRUFEROSFOQ-ONGXEEELSA-N 1 0 222.336 2.124 10 0 BEAERO [NH3+]Cc1cc(CCC2CCCC2)ncn1 ZINC000409436627 350479686 /nfs/dbraw/zinc/47/96/86/350479686.db2.gz OAQYNXQXYSFAPF-UHFFFAOYSA-N 1 0 205.305 2.058 10 0 BEAERO [NH3+]Cc1cnc(-c2ccoc2)c(Cl)c1 ZINC000409436643 350479697 /nfs/dbraw/zinc/47/96/97/350479697.db2.gz PPQCALVMPFQRJC-UHFFFAOYSA-N 1 0 208.648 2.454 10 0 BEAERO NC(=[NH2+])c1cn(CC2CC2)nc1-c1cccs1 ZINC000409437103 350480333 /nfs/dbraw/zinc/48/03/33/350480333.db2.gz DOCCRNBDZQCGHX-UHFFFAOYSA-N 1 0 246.339 2.306 10 0 BEAERO CCc1[nH]nc(-c2cccs2)c1CC[NH3+] ZINC000409441899 350482046 /nfs/dbraw/zinc/48/20/46/350482046.db2.gz UOJQDOKJSIPCDR-UHFFFAOYSA-N 1 0 221.329 2.202 10 0 BEAERO Cc1nn([C@@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC000040729361 180391895 /nfs/dbraw/zinc/39/18/95/180391895.db2.gz QZIIERGKPKJILM-NWDGAFQWSA-N 1 0 207.321 2.251 10 0 BEAERO Cc1nn([C@@H]2CCC[C@@H]2C[NH3+])c(C)c1C ZINC000040729111 180392225 /nfs/dbraw/zinc/39/22/25/180392225.db2.gz GFBLZJUMMOGNOW-VXGBXAGGSA-N 1 0 207.321 2.108 10 0 BEAERO Cc1nn([C@H](C[NH3+])c2ccccc2F)c(C)c1C ZINC000043046351 180393037 /nfs/dbraw/zinc/39/30/37/180393037.db2.gz SENHEZUPTSWBJP-CQSZACIVSA-N 1 0 247.317 2.496 10 0 BEAERO c1coc([C@@H]2CCC[N@H+]2CCn2ccnc2)c1 ZINC000163038195 350495551 /nfs/dbraw/zinc/49/55/51/350495551.db2.gz FUGPEITYKTUQNL-LBPRGKRZSA-N 1 0 231.299 2.313 10 0 BEAERO c1coc([C@H]2CCC[N@H+]2CCn2ccnc2)c1 ZINC000163038274 350496121 /nfs/dbraw/zinc/49/61/21/350496121.db2.gz FUGPEITYKTUQNL-GFCCVEGCSA-N 1 0 231.299 2.313 10 0 BEAERO Cc1nn(CCC[C@@H]2CCC[NH2+]2)c(C)c1C ZINC000052764884 180387510 /nfs/dbraw/zinc/38/75/10/180387510.db2.gz FEGBSCCAJQEGDU-ZDUSSCGKSA-N 1 0 221.348 2.341 10 0 BEAERO Cc1nn(C[C@@H]2CCCCO2)c(C)c1[C@H](C)[NH3+] ZINC000054716489 180390659 /nfs/dbraw/zinc/39/06/59/180390659.db2.gz SONWFZJNTAPISA-CABZTGNLSA-N 1 0 237.347 2.089 10 0 BEAERO Cc1nn(C[C@@H]([NH3+])C(C)(C)C)c(C)c1C ZINC000040729695 180390942 /nfs/dbraw/zinc/39/09/42/180390942.db2.gz DFGCPFQQNOQYFU-LLVKDONJSA-N 1 0 209.337 2.182 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000063145631 350573472 /nfs/dbraw/zinc/57/34/72/350573472.db2.gz AULFHLDQQQBNHF-TYUFSLCMSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)CN1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000336650159 350575210 /nfs/dbraw/zinc/57/52/10/350575210.db2.gz DPEWTJHYRJYMND-MGPQQGTHSA-N 1 0 224.392 2.352 10 0 BEAERO CC(C)(C)OC(=O)[C@]1(C)C[C@H](C2CC2)C[C@H]1[NH3+] ZINC000725266660 538096381 /nfs/dbraw/zinc/09/63/81/538096381.db2.gz SBOOSJQMAIPIBT-JTNHKYCSSA-N 1 0 239.359 2.482 10 0 BEAERO Cc1nnc(OC[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000051865879 180437776 /nfs/dbraw/zinc/43/77/76/180437776.db2.gz ZOIRILDMOXNZKT-LLVKDONJSA-N 1 0 243.310 2.069 10 0 BEAERO CC(C)=CCC[C@@H](C)[NH2+]CCc1nnc[nH]1 ZINC000090222515 187454109 /nfs/dbraw/zinc/45/41/09/187454109.db2.gz XRVZLNBYIDHFQI-LLVKDONJSA-N 1 0 222.336 2.072 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]CCc2nnc[nH]2)CC(C)(C)C1 ZINC000080577196 490644839 /nfs/dbraw/zinc/64/48/39/490644839.db2.gz AKCCIYHJXLCKIS-GHMZBOCLSA-N 1 0 236.363 2.152 10 0 BEAERO Cc1nnc([C@H]([NH3+])C(C)(C)C)n1C(C)C ZINC000042031058 180446045 /nfs/dbraw/zinc/44/60/45/180446045.db2.gz KYQCLMDTLXCSNF-VIFPVBQESA-N 1 0 210.325 2.213 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2cccc(CCO)c2)CC1 ZINC000616595655 350609732 /nfs/dbraw/zinc/60/97/32/350609732.db2.gz XFHSWMOSNNXUST-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2cnnc3ccccc32)CC1 ZINC000616595715 350610991 /nfs/dbraw/zinc/61/09/91/350610991.db2.gz YCIAFPVLYJDWDX-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccc(N)cc2)C1 ZINC000616596799 350637834 /nfs/dbraw/zinc/63/78/34/350637834.db2.gz CBUZPLYCZSYNEC-ZDUSSCGKSA-N 1 0 248.370 2.483 10 0 BEAERO COc1cccc([C@@H]2COCCC[N@@H+]2C)c1 ZINC000616597134 350640707 /nfs/dbraw/zinc/64/07/07/350640707.db2.gz NPYWVOMEDBRXIL-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1ccccc1N ZINC000616597416 350652349 /nfs/dbraw/zinc/65/23/49/350652349.db2.gz FFYUIZJLGZORGO-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1cnnc2ccccc21 ZINC000616597744 350653182 /nfs/dbraw/zinc/65/31/82/350653182.db2.gz JQUVIMXRSHZDNV-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccccc1N ZINC000616597761 350653681 /nfs/dbraw/zinc/65/36/81/350653681.db2.gz KFZVHOUMXVGQGD-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO COC(=O)c1ccc([C@H]([NH3+])C(C)C)cc1 ZINC000095659876 350660922 /nfs/dbraw/zinc/66/09/22/350660922.db2.gz VEBWSSNYIIVKMA-LLVKDONJSA-N 1 0 207.273 2.129 10 0 BEAERO C[C@H](O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000095659329 350661208 /nfs/dbraw/zinc/66/12/08/350661208.db2.gz RHMFFVGFZDRSPL-IMTBSYHQSA-N 1 0 219.206 2.086 10 0 BEAERO Cc1noc(C[NH2+][C@@H](C)CCc2ccccc2)n1 ZINC000037980883 180489264 /nfs/dbraw/zinc/48/92/64/180489264.db2.gz VKFNLSDBHZEPQU-NSHDSACASA-N 1 0 245.326 2.489 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1cccc2nnccc21 ZINC000616598868 350687469 /nfs/dbraw/zinc/68/74/69/350687469.db2.gz UBMGHZOMVABIKK-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO CC[N@@H+]1CCOCC[C@H]1c1ccc(N)cc1 ZINC000616598797 350689059 /nfs/dbraw/zinc/68/90/59/350689059.db2.gz RNRIBVOCOLNFPT-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC(=O)Nc1ccccc1[C@H]1COCCC[N@H+]1C ZINC000616599692 350754877 /nfs/dbraw/zinc/75/48/77/350754877.db2.gz NGXQSKPYSQZZJS-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1ccc2nnccc2c1 ZINC000616599647 350755113 /nfs/dbraw/zinc/75/51/13/350755113.db2.gz MVOKXYSKVZSWRS-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(=O)Nc1ccc([C@H]2CCOCC[N@H+]2C)cc1 ZINC000616599751 350757586 /nfs/dbraw/zinc/75/75/86/350757586.db2.gz VYGPSBKIGWDUTA-CQSZACIVSA-N 1 0 248.326 2.038 10 0 BEAERO CCC(C)(C)[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000725267817 538099150 /nfs/dbraw/zinc/09/91/50/538099150.db2.gz ZWNGVOSGXVOVNK-OLZOCXBDSA-N 1 0 243.391 2.190 10 0 BEAERO Cc1ccc([C@@H]([NH3+])CC2OCCO2)cc1C ZINC000235895504 350725392 /nfs/dbraw/zinc/72/53/92/350725392.db2.gz SNXZRJWATHZFFL-LBPRGKRZSA-N 1 0 221.300 2.066 10 0 BEAERO CN1CCOC[C@@H]1c1nccc2ccccc21 ZINC000616600362 350778983 /nfs/dbraw/zinc/77/89/83/350778983.db2.gz FSDYGWGDNJOGMQ-CYBMUJFWSA-N 1 0 228.295 2.238 10 0 BEAERO CCN1CC[NH2+][C@@H](c2cccc3ccncc32)C1 ZINC000616600395 350779375 /nfs/dbraw/zinc/77/93/75/350779375.db2.gz IOYXLMAMSJEWJQ-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO c1cc2nnccc2c([C@@H]2CCC[NH2+]CC2)c1 ZINC000616600767 350780629 /nfs/dbraw/zinc/78/06/29/350780629.db2.gz CXZUIEBTNSTECP-LLVKDONJSA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2nnc[nH]2)CC1 ZINC000616601436 350782563 /nfs/dbraw/zinc/78/25/63/350782563.db2.gz PBOKOFVBQDAJHP-SNVBAGLBSA-N 1 0 222.336 2.173 10 0 BEAERO c1cc2ccc([C@H]3CCC[NH2+]CC3)cc2nn1 ZINC000616602906 350788105 /nfs/dbraw/zinc/78/81/05/350788105.db2.gz UFXJBUKNHFKZSJ-NSHDSACASA-N 1 0 227.311 2.487 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cn[nH]n2)CC1 ZINC000616602901 350788172 /nfs/dbraw/zinc/78/81/72/350788172.db2.gz UFHASQZPZHRMAI-JTQLQIEISA-N 1 0 222.336 2.173 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2ccnc(N)c2)C1 ZINC000616603198 350789323 /nfs/dbraw/zinc/78/93/23/350789323.db2.gz CMTJAMSJRYYZLS-ZDUSSCGKSA-N 1 0 233.359 2.472 10 0 BEAERO C[N@@H+]1CCCC[C@H](c2cccc(CO)c2)C1 ZINC000616603433 350789977 /nfs/dbraw/zinc/78/99/77/350789977.db2.gz UNYGVDIKWCGRGJ-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2cc[nH]n2)C1 ZINC000616603771 350790030 /nfs/dbraw/zinc/79/00/30/350790030.db2.gz IECPKPRVIIGYHH-NSHDSACASA-N 1 0 207.321 2.388 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2cccc(CCO)c2)C1 ZINC000616604338 350793273 /nfs/dbraw/zinc/79/32/73/350793273.db2.gz CSHJPNSCOIJMPH-OAHLLOKOSA-N 1 0 233.355 2.421 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616605647 350794858 /nfs/dbraw/zinc/79/48/58/350794858.db2.gz SKHXEFXIFMAFDV-OAHLLOKOSA-N 1 0 233.355 2.421 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616606168 350796535 /nfs/dbraw/zinc/79/65/35/350796535.db2.gz AJEHBFZTRKGPKQ-ZDUSSCGKSA-N 1 0 232.327 2.331 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1ccc2cccnc2c1 ZINC000616606622 350798199 /nfs/dbraw/zinc/79/81/99/350798199.db2.gz CYKXLAWYQKTIBF-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccc(N)nc1 ZINC000616607056 350799624 /nfs/dbraw/zinc/79/96/24/350799624.db2.gz CZFRSXISIAAMAB-NSHDSACASA-N 1 0 219.332 2.430 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1ccc2ccccc2n1 ZINC000616607546 350800913 /nfs/dbraw/zinc/80/09/13/350800913.db2.gz JYBHJXUYAWIKSU-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H]1c1ccccc1C(N)=O ZINC000616607904 350801894 /nfs/dbraw/zinc/80/18/94/350801894.db2.gz WQWPRRMZZLEBOD-ZDUSSCGKSA-N 1 0 232.327 2.331 10 0 BEAERO C[NH+]1CCC(c2cccc3nnccc32)CC1 ZINC000616609329 350805557 /nfs/dbraw/zinc/80/55/57/350805557.db2.gz QRRCJVRGGDUGLJ-UHFFFAOYSA-N 1 0 227.311 2.439 10 0 BEAERO [NH3+]CCN1CCC[C@@H]1c1ccnc2ccccc21 ZINC000616608699 350805636 /nfs/dbraw/zinc/80/56/36/350805636.db2.gz ZYLVXUGAUGJSJU-OAHLLOKOSA-N 1 0 241.338 2.330 10 0 BEAERO CC(=O)Nc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC000616610390 350808593 /nfs/dbraw/zinc/80/85/93/350808593.db2.gz PUFHGYZARKZONK-LBPRGKRZSA-N 1 0 218.300 2.064 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC000616614351 350832091 /nfs/dbraw/zinc/83/20/91/350832091.db2.gz KFXMTHGBGWFDPA-SNVBAGLBSA-N 1 0 205.305 2.064 10 0 BEAERO Cc1sc(N(C)C2CC2)nc1[C@H](C)[NH3+] ZINC000306683529 350841381 /nfs/dbraw/zinc/84/13/81/350841381.db2.gz WDFSPKJCSSULJM-LURJTMIESA-N 1 0 211.334 2.070 10 0 BEAERO C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000306696091 350846483 /nfs/dbraw/zinc/84/64/83/350846483.db2.gz WVNOLAGAFAOEDE-YFKPBYRVSA-N 1 0 233.084 2.264 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616617086 350861174 /nfs/dbraw/zinc/86/11/74/350861174.db2.gz IANZQMVFBBZQOO-OAHLLOKOSA-N 1 0 233.355 2.421 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccncn2)C1 ZINC000616614138 350827079 /nfs/dbraw/zinc/82/70/79/350827079.db2.gz DXTLOPIACCDKOJ-SNVBAGLBSA-N 1 0 205.305 2.064 10 0 BEAERO CSC1([C@@H]2[NH2+]C[C@@H](C)S2)CCC1 ZINC000306727415 350898364 /nfs/dbraw/zinc/89/83/64/350898364.db2.gz AUJWGUWYJXNTLI-HTQZYQBOSA-N 1 0 203.376 2.323 10 0 BEAERO CNC(=[NH2+])Nc1ccc(Br)c(C)c1 ZINC000052069414 350901723 /nfs/dbraw/zinc/90/17/23/350901723.db2.gz HLPQZGPGIQBISX-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO CNC(=[NH2+])Nc1ccc(Cl)cc1F ZINC000052091823 350917332 /nfs/dbraw/zinc/91/73/32/350917332.db2.gz UNRBGVIZIQOEAE-UHFFFAOYSA-N 1 0 201.632 2.045 10 0 BEAERO [NH3+]CCN1CCC[C@@H](c2ccccc2Cl)C1 ZINC000616619953 350928286 /nfs/dbraw/zinc/92/82/86/350928286.db2.gz CWPAUUSSZCETPN-LLVKDONJSA-N 1 0 238.762 2.478 10 0 BEAERO CC(C)(C)[NH+]1CCC(c2cnno2)CC1 ZINC000616619779 350928318 /nfs/dbraw/zinc/92/83/18/350928318.db2.gz QYIYKQFCOWYHOT-UHFFFAOYSA-N 1 0 209.293 2.048 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccc(N)nc2)C1 ZINC000616620180 350934800 /nfs/dbraw/zinc/93/48/00/350934800.db2.gz HFWCJCIFVWPLDE-GFCCVEGCSA-N 1 0 233.359 2.472 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+]CC1(F)CCC1 ZINC000306715378 350876712 /nfs/dbraw/zinc/87/67/12/350876712.db2.gz SHSCMTZHEGMVPN-IUCAKERBSA-N 1 0 203.326 2.362 10 0 BEAERO CC(C)(C)[C@H]1C[NH+]=C(NCC(F)F)S1 ZINC000306715105 350876810 /nfs/dbraw/zinc/87/68/10/350876810.db2.gz YGKAAUJFLWQYSS-ZCFIWIBFSA-N 1 0 222.304 2.359 10 0 BEAERO c1n[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000616617939 350880648 /nfs/dbraw/zinc/88/06/48/350880648.db2.gz FQNZQEYCYNABIE-CYBMUJFWSA-N 1 0 242.326 2.184 10 0 BEAERO N[C@@H](C[NH3+])c1cc(Cl)sc1Cl ZINC000306750896 350959751 /nfs/dbraw/zinc/95/97/51/350959751.db2.gz JRBZTGXORCABAO-BYPYZUCNSA-N 1 0 211.117 2.013 10 0 BEAERO CC(C)([NH3+])C[S@](=O)C1CCCCCC1 ZINC000129041492 350970993 /nfs/dbraw/zinc/97/09/93/350970993.db2.gz MHBZBENKEMSUMF-CQSZACIVSA-N 1 0 217.378 2.195 10 0 BEAERO [NH3+][C@@H](Cc1cncs1)c1cccs1 ZINC000159708046 350980377 /nfs/dbraw/zinc/98/03/77/350980377.db2.gz XQDBDJWFOBVVCQ-QMMMGPOBSA-N 1 0 210.327 2.447 10 0 BEAERO CO[C@H](C(C)C)[C@H]1[NH2+]CC[C@@H](C)S1 ZINC000306761848 350987797 /nfs/dbraw/zinc/98/77/97/350987797.db2.gz DFAGZPFHFAOTRM-BBBLOLIVSA-N 1 0 203.351 2.099 10 0 BEAERO C[C@H]([NH3+])C(=O)c1ccc(C(F)(F)F)cc1 ZINC000159733937 350990241 /nfs/dbraw/zinc/99/02/41/350990241.db2.gz IJXQZKCAPFXHPJ-LURJTMIESA-N 1 0 217.190 2.235 10 0 BEAERO CC[C@@H]1CC[NH2+][C@@H](Cc2cncs2)C1 ZINC000159781068 351001445 /nfs/dbraw/zinc/00/14/45/351001445.db2.gz GLNNGMUYRMBLQM-NXEZZACHSA-N 1 0 210.346 2.464 10 0 BEAERO CC[NH2+]CCCN(CC)C(=O)OC(C)(C)C ZINC000222421550 350956217 /nfs/dbraw/zinc/95/62/17/350956217.db2.gz PIPQIAFWYPXXCW-UHFFFAOYSA-N 1 0 230.352 2.243 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000616621318 351027458 /nfs/dbraw/zinc/02/74/58/351027458.db2.gz QWBXZSXDCJPRET-SNVBAGLBSA-N 1 0 207.321 2.388 10 0 BEAERO C[NH2+]CCSC/C(Cl)=C/Cl ZINC000306785744 351032876 /nfs/dbraw/zinc/03/28/76/351032876.db2.gz OIPMWVCBSGYOLT-XQRVVYSFSA-N 1 0 200.134 2.258 10 0 BEAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(F)cc1F ZINC000306791704 351040769 /nfs/dbraw/zinc/04/07/69/351040769.db2.gz YRYOKUPSJGZCQF-BQBZGAKWSA-N 1 0 200.232 2.112 10 0 BEAERO CC1(CC(=O)[C@H]2CSCC[NH2+]2)CCCC1 ZINC000306795562 351043501 /nfs/dbraw/zinc/04/35/01/351043501.db2.gz GPSLBKFQYXURLS-SNVBAGLBSA-N 1 0 227.373 2.231 10 0 BEAERO [NH3+][C@@H](c1nccs1)[C@@H]1CCCSC1 ZINC000306796646 351047233 /nfs/dbraw/zinc/04/72/33/351047233.db2.gz WVHHXVNHSOQDIF-HTQZYQBOSA-N 1 0 214.359 2.286 10 0 BEAERO [NH3+][C@@H](c1ccsc1)C1(CO)CCCC1 ZINC000306807306 351059320 /nfs/dbraw/zinc/05/93/20/351059320.db2.gz LXFRFCCFGOEEKE-JTQLQIEISA-N 1 0 211.330 2.301 10 0 BEAERO CC[C@@H]1CC[C@H]([C@@H]2[NH2+]C[C@@H]3CCC[C@H]32)O1 ZINC000306808532 351060906 /nfs/dbraw/zinc/06/09/06/351060906.db2.gz PJGLAWRTQMTWMB-ZOLYEBIHSA-N 1 0 209.333 2.332 10 0 BEAERO Cc1cocc1C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000306810215 351064202 /nfs/dbraw/zinc/06/42/02/351064202.db2.gz TXTKXPNBQFWIRT-LBPRGKRZSA-N 1 0 207.273 2.303 10 0 BEAERO [NH3+][C@H]1CCC[C@@](F)(Cc2cncs2)C1 ZINC000159843759 351013141 /nfs/dbraw/zinc/01/31/41/351013141.db2.gz YTJHNMBRPLDPNF-WPRPVWTQSA-N 1 0 214.309 2.295 10 0 BEAERO c1cc2ccnnc2c([C@H]2CCC[NH2+]CC2)c1 ZINC000616630188 351102354 /nfs/dbraw/zinc/10/23/54/351102354.db2.gz QVNUPKXSZNHXNY-NSHDSACASA-N 1 0 227.311 2.487 10 0 BEAERO [NH3+]CCN1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616631013 351104410 /nfs/dbraw/zinc/10/44/10/351104410.db2.gz XKXCHMIDSZJBGD-CYBMUJFWSA-N 1 0 236.334 2.354 10 0 BEAERO OCc1ccc([C@@H]2CCC[NH2+]CC2)cc1 ZINC000616631523 351105511 /nfs/dbraw/zinc/10/55/11/351105511.db2.gz ZFAJODZRZNOOLT-GFCCVEGCSA-N 1 0 205.301 2.036 10 0 BEAERO C[N@@H+]1CCCCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616626333 351106397 /nfs/dbraw/zinc/10/63/97/351106397.db2.gz FNYIDRMKXXNHFT-CYBMUJFWSA-N 1 0 232.327 2.332 10 0 BEAERO CC[N@@H+]1CCC[C@H](c2cccnc2N)CC1 ZINC000616626945 351106782 /nfs/dbraw/zinc/10/67/82/351106782.db2.gz GRXDKLMTQWOCRO-NSHDSACASA-N 1 0 219.332 2.253 10 0 BEAERO CCN1CC[NH2+][C@@H](c2cccc3ncccc32)C1 ZINC000616632118 351109964 /nfs/dbraw/zinc/10/99/64/351109964.db2.gz LTIKGWPBAGFHQK-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO CNc1cccc([C@H]2C[N@@H+](C(C)(C)C)CCN2)c1 ZINC000616632004 351110370 /nfs/dbraw/zinc/11/03/70/351110370.db2.gz JUOWZMDUTPRLRB-CQSZACIVSA-N 1 0 247.386 2.473 10 0 BEAERO CC[N@@H+]1CC[C@H](c2cccc(NC(C)=O)c2)C1 ZINC000616632154 351110976 /nfs/dbraw/zinc/11/09/76/351110976.db2.gz IISLJQPGLIXZQG-ZDUSSCGKSA-N 1 0 232.327 2.454 10 0 BEAERO CCN1CC[NH2+][C@H](c2ccc3cccnc3c2)C1 ZINC000616633042 351114549 /nfs/dbraw/zinc/11/45/49/351114549.db2.gz YEBBUGXNYMVXCU-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1nccc2ccccc21 ZINC000616633664 351116224 /nfs/dbraw/zinc/11/62/24/351116224.db2.gz RBKUONCKLXQNBN-CQSZACIVSA-N 1 0 242.322 2.364 10 0 BEAERO CCOc1ccccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079510166 351068012 /nfs/dbraw/zinc/06/80/12/351068012.db2.gz VEMRICORMWOPEM-CQSZACIVSA-N 1 0 248.326 2.166 10 0 BEAERO Nc1ccc([C@@H]2CCCCC[N@@H+]2CCO)cc1 ZINC000616625929 351087063 /nfs/dbraw/zinc/08/70/63/351087063.db2.gz YQUXFVOCJUZSMP-AWEZNQCLSA-N 1 0 234.343 2.178 10 0 BEAERO CC[N@@H+]1CCCCC[C@@H]1c1ccc(N)nc1 ZINC000616623575 351089611 /nfs/dbraw/zinc/08/96/11/351089611.db2.gz OAHMBPAHWNREFP-GFCCVEGCSA-N 1 0 219.332 2.431 10 0 BEAERO C[N@@H+]1CCCCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616624055 351090832 /nfs/dbraw/zinc/09/08/32/351090832.db2.gz VZQLCKOMJHWUCR-CYBMUJFWSA-N 1 0 232.327 2.332 10 0 BEAERO CCc1csc(N[C@@H](C)CCCC[NH3+])n1 ZINC000336714244 351091205 /nfs/dbraw/zinc/09/12/05/351091205.db2.gz WAJIDWPGTPMLFX-VIFPVBQESA-N 1 0 227.377 2.057 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1c[nH]nc1N ZINC000616623992 351091234 /nfs/dbraw/zinc/09/12/34/351091234.db2.gz SXOYKZDTAFWFQC-LLVKDONJSA-N 1 0 222.336 2.148 10 0 BEAERO OCC[N@@H+]1CCC[C@@H](c2ccccc2F)CC1 ZINC000616628343 351097878 /nfs/dbraw/zinc/09/78/78/351097878.db2.gz QBYIULLNRXZWAC-GFCCVEGCSA-N 1 0 237.318 2.388 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccccc1N ZINC000616644934 351165676 /nfs/dbraw/zinc/16/56/76/351165676.db2.gz JXSMADZXLATDAA-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccnc(N)c2)C1 ZINC000616653901 351195014 /nfs/dbraw/zinc/19/50/14/351195014.db2.gz YPCXMWHMMQXCEO-GFCCVEGCSA-N 1 0 249.358 2.056 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616645253 351167716 /nfs/dbraw/zinc/16/77/16/351167716.db2.gz OJLGAFVBMAFRJL-CQSZACIVSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](C(F)F)C1 ZINC000616650054 351173168 /nfs/dbraw/zinc/17/31/68/351173168.db2.gz RKLAUNAAPDLQQH-QMMMGPOBSA-N 1 0 207.264 2.141 10 0 BEAERO COc1ccccc1[C@H]1COCCC[N@@H+]1C ZINC000616647476 351173986 /nfs/dbraw/zinc/17/39/86/351173986.db2.gz LTGLUKAJVBWSIT-GFCCVEGCSA-N 1 0 221.300 2.088 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](C(F)(F)F)C1 ZINC000616649927 351180298 /nfs/dbraw/zinc/18/02/98/351180298.db2.gz QEHURPBPKXYHPH-QMMMGPOBSA-N 1 0 211.227 2.048 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](c2ccccc2CO)C1 ZINC000616649856 351180462 /nfs/dbraw/zinc/18/04/62/351180462.db2.gz LUPXZCMVRWHMCH-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO c1cnc2ccc([C@H]3C[NH2+]CCCO3)cc2c1 ZINC000616651578 351182591 /nfs/dbraw/zinc/18/25/91/351182591.db2.gz PIQOYJNVUSIKRW-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CCN1CC[NH2+]C[C@H]1c1ccc2ccncc2c1 ZINC000616636494 351127565 /nfs/dbraw/zinc/12/75/65/351127565.db2.gz BWZKTUKJTQNZSO-HNNXBMFYSA-N 1 0 241.338 2.201 10 0 BEAERO c1cnc2cc([C@@H]3C[NH2+]CCCO3)ccc2c1 ZINC000616652329 351190792 /nfs/dbraw/zinc/19/07/92/351190792.db2.gz KJUZERFVCLGRSK-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)(C)[N@@H+]1CCNC[C@H]1c1ccc(N)cc1 ZINC000616637158 351132903 /nfs/dbraw/zinc/13/29/03/351132903.db2.gz HGBBDXLBQGWSJJ-ZDUSSCGKSA-N 1 0 233.359 2.014 10 0 BEAERO O=C1CCC([N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000306826904 351136893 /nfs/dbraw/zinc/13/68/93/351136893.db2.gz AOMHJFGIKQMOMQ-LLVKDONJSA-N 1 0 207.317 2.230 10 0 BEAERO C[C@H]1CSC(NCCC(F)(F)F)=[NH+]1 ZINC000063100811 351140370 /nfs/dbraw/zinc/14/03/70/351140370.db2.gz NNNPSAPMMVHIDS-YFKPBYRVSA-N 1 0 212.240 2.020 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1ccon1 ZINC000616669317 351228826 /nfs/dbraw/zinc/22/88/26/351228826.db2.gz REYUDZNSMUVDEM-CQSZACIVSA-N 1 0 243.310 2.127 10 0 BEAERO CC(C)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000616673875 351238053 /nfs/dbraw/zinc/23/80/53/351238053.db2.gz SIXNRDMNHXCXNP-ZDUSSCGKSA-N 1 0 218.344 2.388 10 0 BEAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1cnno1 ZINC000616678440 351243681 /nfs/dbraw/zinc/24/36/81/351243681.db2.gz IEKRBLARBIKHNZ-CQSZACIVSA-N 1 0 243.310 2.426 10 0 BEAERO CN1CCc2ccccc2[C@@H]1c1cocn1 ZINC000616677546 351244609 /nfs/dbraw/zinc/24/46/09/351244609.db2.gz SHXMQHCBOGNTPD-CYBMUJFWSA-N 1 0 214.268 2.252 10 0 BEAERO Cc1csc(CCN2CCCC2=[NH2+])n1 ZINC000063134303 351247113 /nfs/dbraw/zinc/24/71/13/351247113.db2.gz UQAPAANLVSFJJV-UHFFFAOYSA-N 1 0 209.318 2.067 10 0 BEAERO Cc1cc([C@@H](O)[C@H]([NH3+])C(C)C)c(C)s1 ZINC000168002377 351250437 /nfs/dbraw/zinc/25/04/37/351250437.db2.gz GIAQYRWISNZHGT-GHMZBOCLSA-N 1 0 213.346 2.382 10 0 BEAERO C[N@@H+]1CCO[C@H](c2ccc3nnccc3c2)CC1 ZINC000616684116 351255078 /nfs/dbraw/zinc/25/50/78/351255078.db2.gz CNXGBGBXGKJQIH-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO COc1cccc([C@@H]2CC[N@H+](C)CCO2)c1 ZINC000616686932 351257348 /nfs/dbraw/zinc/25/73/48/351257348.db2.gz LUUJNYCBCFHTCG-ZDUSSCGKSA-N 1 0 221.300 2.088 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1cc2ccccc2nn1 ZINC000616655532 351196672 /nfs/dbraw/zinc/19/66/72/351196672.db2.gz GDENRAFZCGWLBR-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ccnnc1 ZINC000616656776 351197172 /nfs/dbraw/zinc/19/71/72/351197172.db2.gz NWEHBBYXSIYUEA-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ccno1 ZINC000616655831 351201646 /nfs/dbraw/zinc/20/16/46/351201646.db2.gz DXXWHXCWAUHEDC-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO CNc1ccc([C@@H]2CCOCC[N@@H+]2C)cc1 ZINC000616656140 351201829 /nfs/dbraw/zinc/20/18/29/351201829.db2.gz BKQNSCXAGIYNDT-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1cccc2nnccc21 ZINC000616656371 351202737 /nfs/dbraw/zinc/20/27/37/351202737.db2.gz UBMGHZOMVABIKK-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2cccc3cnccc32)C1 ZINC000616659387 351207408 /nfs/dbraw/zinc/20/74/08/351207408.db2.gz QXULQTDVTNZZEP-CYBMUJFWSA-N 1 0 242.322 2.280 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@H](C(F)(F)F)C1 ZINC000616661572 351210590 /nfs/dbraw/zinc/21/05/90/351210590.db2.gz UYFMEEUWKOEBNR-MRVPVSSYSA-N 1 0 225.254 2.296 10 0 BEAERO CC(C)[N@@H+]1CCOC[C@H](c2cccc(CO)c2)C1 ZINC000616660590 351212105 /nfs/dbraw/zinc/21/21/05/351212105.db2.gz NYXCJIKUXULWCR-OAHLLOKOSA-N 1 0 249.354 2.003 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccnc(N)c2)CC1 ZINC000616665265 351222443 /nfs/dbraw/zinc/22/24/43/351222443.db2.gz DYVPMGHQNSKSTG-LBPRGKRZSA-N 1 0 249.358 2.056 10 0 BEAERO CC[C@@H](Nc1ncccc1Cl)[C@H](C)[NH3+] ZINC000306884321 351290402 /nfs/dbraw/zinc/29/04/02/351290402.db2.gz QAZUPGRZCRJVIB-IONNQARKSA-N 1 0 213.712 2.273 10 0 BEAERO C[C@H]([NH3+])/C=C/c1c(Cl)nc2sccn12 ZINC000231751459 351302450 /nfs/dbraw/zinc/30/24/50/351302450.db2.gz OENIJRVHHKEWJQ-SZKDQXIBSA-N 1 0 227.720 2.410 10 0 BEAERO CC[C@@H]([NH3+])c1occc1Br ZINC000068982332 351320003 /nfs/dbraw/zinc/32/00/03/351320003.db2.gz PWXYFMVQLDWKLW-ZCFIWIBFSA-N 1 0 204.067 2.452 10 0 BEAERO Cc1ccc(C2=[NH+]CCN2)cc1Br ZINC000306877862 351270392 /nfs/dbraw/zinc/27/03/92/351270392.db2.gz CLXFAAXTBHLFGS-UHFFFAOYSA-N 1 0 239.116 2.107 10 0 BEAERO Cc1cc(C[NH3+])ccc1OC(F)(F)F ZINC000142222823 351375073 /nfs/dbraw/zinc/37/50/73/351375073.db2.gz LQVUJOTWLWYSKC-UHFFFAOYSA-N 1 0 205.179 2.352 10 0 BEAERO CC1(C)C[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306970443 351387868 /nfs/dbraw/zinc/38/78/68/351387868.db2.gz QTLLKYFQUFCWTL-NSHDSACASA-N 1 0 217.316 2.099 10 0 BEAERO [NH3+][C@@]1(Cc2sccc2Cl)CCOC1 ZINC000306926602 351344281 /nfs/dbraw/zinc/34/42/81/351344281.db2.gz QMSVQKMBYNZWQR-SECBINFHSA-N 1 0 217.721 2.062 10 0 BEAERO CC(C)C[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000034936808 351349836 /nfs/dbraw/zinc/34/98/36/351349836.db2.gz RBOZHHMLTPAOKQ-LLVKDONJSA-N 1 0 226.364 2.069 10 0 BEAERO CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000034937120 351351367 /nfs/dbraw/zinc/35/13/67/351351367.db2.gz YJMVCVQEWBFLQO-MNOVXSKESA-N 1 0 238.331 2.063 10 0 BEAERO CCCCCNC(=O)[C@@H](C)[NH2+]CCCC ZINC000034938695 351353239 /nfs/dbraw/zinc/35/32/39/351353239.db2.gz QEZFRGXPSOVPMY-LLVKDONJSA-N 1 0 214.353 2.071 10 0 BEAERO CCOc1ccc([C@H](F)C[NH3+])cc1OC ZINC000380106942 351356014 /nfs/dbraw/zinc/35/60/14/351356014.db2.gz QXVZZIBIOKHCAF-SECBINFHSA-N 1 0 213.252 2.063 10 0 BEAERO CC1(Cc2coc(Br)c2)C[NH2+]C1 ZINC000306938461 351359927 /nfs/dbraw/zinc/35/99/27/351359927.db2.gz JWVTYSCIJXUHHO-UHFFFAOYSA-N 1 0 230.105 2.194 10 0 BEAERO Cn1cc([C@@H]([NH3+])c2cc(Cl)ccc2F)cn1 ZINC000034957627 351362753 /nfs/dbraw/zinc/36/27/53/351362753.db2.gz LGPVAFWJRKEOHT-LLVKDONJSA-N 1 0 239.681 2.261 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1sccc1Cl ZINC000307031067 351432760 /nfs/dbraw/zinc/43/27/60/351432760.db2.gz OSHLGIFDKKFQDF-NKWVEPMBSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+][C@]1(Cc2csc(Cl)c2)CCOC1 ZINC000307040934 351443832 /nfs/dbraw/zinc/44/38/32/351443832.db2.gz JZPSUXKMYDFOLD-VIFPVBQESA-N 1 0 217.721 2.062 10 0 BEAERO C([NH2+][C@@H]1CCCSC1)[C@@H]1CC12CCOCC2 ZINC000309709511 187483969 /nfs/dbraw/zinc/48/39/69/187483969.db2.gz WOBFKIYIAMVQTK-NWDGAFQWSA-N 1 0 241.400 2.288 10 0 BEAERO NC(=[NH2+])c1ccc(F)c(F)c1Br ZINC000231856848 351412283 /nfs/dbraw/zinc/41/22/83/351412283.db2.gz PPOOMMBIXFRDHS-UHFFFAOYSA-N 1 0 235.031 2.011 10 0 BEAERO [NH3+]C[C@H](F)Cc1ccsc1Br ZINC000307009103 351416722 /nfs/dbraw/zinc/41/67/22/351416722.db2.gz HMKDCYXSHYGZMP-ZCFIWIBFSA-N 1 0 238.125 2.350 10 0 BEAERO CC(C)(C)c1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000725268219 538100366 /nfs/dbraw/zinc/10/03/66/538100366.db2.gz PDBZWBKHHSWGAZ-UKRRQHHQSA-N 1 0 232.371 2.388 10 0 BEAERO CC(C)(C)c1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000725268220 538100378 /nfs/dbraw/zinc/10/03/78/538100378.db2.gz PDBZWBKHHSWGAZ-ZFWWWQNUSA-N 1 0 232.371 2.388 10 0 BEAERO Clc1cnc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000051888653 180598229 /nfs/dbraw/zinc/59/82/29/180598229.db2.gz SHBBPHOJAPINDP-ZETCQYMHSA-N 1 0 247.125 2.377 10 0 BEAERO C[C@@H](C[NH3+])Oc1ccc(Cl)cc1F ZINC000307092366 351470733 /nfs/dbraw/zinc/47/07/33/351470733.db2.gz AYDGTCYPMJCQCY-LURJTMIESA-N 1 0 203.644 2.205 10 0 BEAERO [NH3+]Cc1nc2c(s1)[C@H]1CC[C@@H](C2)S1 ZINC000403551488 363044568 /nfs/dbraw/zinc/04/45/68/363044568.db2.gz HWAWBULZLJQWLV-CAHLUQPWSA-N 1 0 212.343 2.095 10 0 BEAERO C[C@](F)(c1cscn1)[C@H]1CCC[NH2+]1 ZINC000307186719 351586932 /nfs/dbraw/zinc/58/69/32/351586932.db2.gz VALBSHFVKRJRPO-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO C[NH2+]CC(=O)c1c(Cl)ccc(F)c1F ZINC000307188531 351590247 /nfs/dbraw/zinc/59/02/47/351590247.db2.gz BPOYYAUVWBFDRI-UHFFFAOYSA-N 1 0 219.618 2.020 10 0 BEAERO C[C@]1([C@@H]([NH3+])c2cnsc2)CCCS1 ZINC000404592644 351593278 /nfs/dbraw/zinc/59/32/78/351593278.db2.gz MHOIQYVSAHGBOQ-DTWKUNHWSA-N 1 0 214.359 2.429 10 0 BEAERO [NH3+][C@@H](c1cnsc1)[C@H]1CCCCS1 ZINC000404592657 351593294 /nfs/dbraw/zinc/59/32/94/351593294.db2.gz MIUJBLYJQKYFNB-BDAKNGLRSA-N 1 0 214.359 2.429 10 0 BEAERO [NH3+]CC[C@@H]1COc2cc3c(cc21)CCCC3 ZINC000606303739 351561262 /nfs/dbraw/zinc/56/12/62/351561262.db2.gz GSJINQCQHBAUKL-GFCCVEGCSA-N 1 0 217.312 2.390 10 0 BEAERO C[NH2+]Cc1cc(N)c(C)cc1Br ZINC000307213234 351616206 /nfs/dbraw/zinc/61/62/06/351616206.db2.gz XFORYYUTPZOYMB-UHFFFAOYSA-N 1 0 229.121 2.059 10 0 BEAERO CC[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000637860495 351721133 /nfs/dbraw/zinc/72/11/33/351721133.db2.gz ZGYFMMBMDJFNRH-RYUDHWBXSA-N 1 0 240.391 2.399 10 0 BEAERO C[C@]1([C@H]([NH3+])c2nccs2)CCCS1 ZINC000307247460 351752483 /nfs/dbraw/zinc/75/24/83/351752483.db2.gz MSMGXBNPIMDOEQ-VXNVDRBHSA-N 1 0 214.359 2.429 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637884656 351754363 /nfs/dbraw/zinc/75/43/63/351754363.db2.gz RMJLENNEGGIGSB-WCQYABFASA-N 1 0 244.338 2.220 10 0 BEAERO [NH3+][C@@H](c1ccns1)[C@H]1CCCCS1 ZINC000307275212 351832118 /nfs/dbraw/zinc/83/21/18/351832118.db2.gz PEFMLIXHEXTDCW-VXNVDRBHSA-N 1 0 214.359 2.429 10 0 BEAERO C[C@@H]([NH3+])c1nc(-c2ccns2)cs1 ZINC000307278038 351833783 /nfs/dbraw/zinc/83/37/83/351833783.db2.gz SVIIEGOWUWBSGN-RXMQYKEDSA-N 1 0 211.315 2.286 10 0 BEAERO CSC1CC[NH+]([C@H]2CCCC(=O)C2)CC1 ZINC000300888760 363098499 /nfs/dbraw/zinc/09/84/99/363098499.db2.gz UFSRUEVXXUMFQW-JTQLQIEISA-N 1 0 227.373 2.326 10 0 BEAERO CC[C@@H]([NH2+][C@H](C)Cc1cnccn1)C(C)C ZINC000336734990 351903722 /nfs/dbraw/zinc/90/37/22/351903722.db2.gz LJNCURSUBQHFDE-DGCLKSJQSA-N 1 0 221.348 2.432 10 0 BEAERO CC(C)C[NH2+]CCN(C)C1CCCCC1 ZINC000052419269 535168891 /nfs/dbraw/zinc/16/88/91/535168891.db2.gz OHBVKPXNGQYIDT-UHFFFAOYSA-N 1 0 212.381 2.497 10 0 BEAERO [NH3+][C@H]1CCCN(c2ccsc2Cl)C1 ZINC000307310994 351987552 /nfs/dbraw/zinc/98/75/52/351987552.db2.gz BSPNULHUVHCMER-ZETCQYMHSA-N 1 0 216.737 2.329 10 0 BEAERO Cn1cc(S[C@H](C[NH3+])c2ccsc2)cn1 ZINC000043126439 180664587 /nfs/dbraw/zinc/66/45/87/180664587.db2.gz IQUJPDHSBOQVQD-SNVBAGLBSA-N 1 0 239.369 2.274 10 0 BEAERO Cn1cc([C@H]2CC[NH2+][C@H]2c2ccccc2)cn1 ZINC000054683009 180673635 /nfs/dbraw/zinc/67/36/35/180673635.db2.gz HFTJJUICGMLZCL-KGLIPLIRSA-N 1 0 227.311 2.238 10 0 BEAERO Cc1nc(C2CSC2)sc1[C@H](C)[NH3+] ZINC000404745725 352024904 /nfs/dbraw/zinc/02/49/04/352024904.db2.gz ZLABRQPVVAQUQX-YFKPBYRVSA-N 1 0 214.359 2.302 10 0 BEAERO CC[C@H](CC(=O)NC[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000638164320 352031922 /nfs/dbraw/zinc/03/19/22/352031922.db2.gz HCLUBKWHEBFZAB-NWDGAFQWSA-N 1 0 240.391 2.175 10 0 BEAERO CC[C@H](CC(=O)N1CC[C@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000638236625 352089075 /nfs/dbraw/zinc/08/90/75/352089075.db2.gz ZIEDBPVCJJFSCN-UTUOFQBUSA-N 1 0 240.391 2.397 10 0 BEAERO Cc1cc(Br)cc2c1CC[NH2+]C2 ZINC000307342617 352091867 /nfs/dbraw/zinc/09/18/67/352091867.db2.gz VVSDOVQZYRMVFW-UHFFFAOYSA-N 1 0 226.117 2.403 10 0 BEAERO F[C@H](c1cscn1)[C@@H]1CCCC[NH2+]1 ZINC000307347903 352102905 /nfs/dbraw/zinc/10/29/05/352102905.db2.gz NKPAKBBAZAXTPV-CBAPKCEASA-N 1 0 200.282 2.296 10 0 BEAERO NN[C@H](C1CC1)[C@@H]1CCCC(F)(F)C1 ZINC000300917181 363119411 /nfs/dbraw/zinc/11/94/11/363119411.db2.gz PIIHNLPDHRSGSC-RKDXNWHRSA-N 1 0 204.264 2.054 10 0 BEAERO Cn1ccnc1C[NH2+]C/C=C\c1ccccc1 ZINC000214078701 363123220 /nfs/dbraw/zinc/12/32/20/363123220.db2.gz GTOLJDIEHUTABE-YVMONPNESA-N 1 0 227.311 2.223 10 0 BEAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000224700834 363178358 /nfs/dbraw/zinc/17/83/58/363178358.db2.gz AXZRQEOVCMXCDW-BBBLOLIVSA-N 1 0 214.378 2.172 10 0 BEAERO CCC(C)(C)NC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000725270282 538102735 /nfs/dbraw/zinc/10/27/35/538102735.db2.gz ZJROBSKFQUMWKC-NSHDSACASA-N 1 0 241.379 2.006 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1nc(C(C)C)ns1 ZINC000083670865 352304178 /nfs/dbraw/zinc/30/41/78/352304178.db2.gz QAHLJUYVCPTENY-SECBINFHSA-N 1 0 242.392 2.447 10 0 BEAERO CCCCCC[NH2+]CC(=O)NCc1ccccc1 ZINC000037853677 168666745 /nfs/dbraw/zinc/66/67/45/168666745.db2.gz BZMJLWWULCLEIC-UHFFFAOYSA-N 1 0 248.370 2.473 10 0 BEAERO CCCC[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271154 538103217 /nfs/dbraw/zinc/10/32/17/538103217.db2.gz IBLPAOKFRTVXMJ-LOWDOPEQSA-N 1 0 209.333 2.334 10 0 BEAERO CCn1cc(C(F)F)c(C2([NH3+])CCC2)n1 ZINC000725270933 538103091 /nfs/dbraw/zinc/10/30/91/538103091.db2.gz URXJOCXADPGCIQ-UHFFFAOYSA-N 1 0 215.247 2.179 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@](C)(O)C(F)(F)F ZINC000389716470 352409719 /nfs/dbraw/zinc/40/97/19/352409719.db2.gz OBEDAFRXRJZCMO-VGMNWLOBSA-N 1 0 225.254 2.078 10 0 BEAERO C[C@]1([C@H]([NH3+])c2cscn2)CCCS1 ZINC000307367789 352452766 /nfs/dbraw/zinc/45/27/66/352452766.db2.gz MKNCCARNULNNJD-RKDXNWHRSA-N 1 0 214.359 2.429 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(F)(F)C[C@H]1C ZINC000638630419 352470028 /nfs/dbraw/zinc/47/00/28/352470028.db2.gz MGAPFDRSTHMETL-NXEZZACHSA-N 1 0 248.317 2.006 10 0 BEAERO CC(C)[C@H]1C[C@H](N(C(C)C)C(C)C)C[NH2+]1 ZINC000725272373 538104090 /nfs/dbraw/zinc/10/40/90/538104090.db2.gz MDDNWZRIYFOHEM-QWHCGFSZSA-N 1 0 212.381 2.492 10 0 BEAERO C[NH2+][C@H](C)c1ccoc1Br ZINC000300206449 352556202 /nfs/dbraw/zinc/55/62/02/352556202.db2.gz WVNZNSDRLTXZMJ-RXMQYKEDSA-N 1 0 204.067 2.323 10 0 BEAERO C[C@H]1CCC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307414759 352588761 /nfs/dbraw/zinc/58/87/61/352588761.db2.gz MHBCOARUUKCLBM-WCQYABFASA-N 1 0 231.343 2.489 10 0 BEAERO N[C@@H](c1cnsc1)c1ccoc1Cl ZINC000404865351 352601155 /nfs/dbraw/zinc/60/11/55/352601155.db2.gz VLIHMIOJHVVPIH-ZETCQYMHSA-N 1 0 214.677 2.438 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](SC(C)(C)CO)C1 ZINC000307447353 352602915 /nfs/dbraw/zinc/60/29/15/352602915.db2.gz IYCNDVOCXNFMFY-UTLUCORTSA-N 1 0 217.378 2.006 10 0 BEAERO C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000307458112 352609828 /nfs/dbraw/zinc/60/98/28/352609828.db2.gz DGCRCGIQVGUWSS-BYPYZUCNSA-N 1 0 221.123 2.186 10 0 BEAERO C[C@@H]1CC[C@@H](c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000077366179 187753927 /nfs/dbraw/zinc/75/39/27/187753927.db2.gz XAANZIRVRQHCJE-ZYHUDNBSSA-N 1 0 233.311 2.313 10 0 BEAERO C[C@@H](C[NH3+])Nc1nccc2ccsc21 ZINC000307394854 352569151 /nfs/dbraw/zinc/56/91/51/352569151.db2.gz ODZPQJVCKGCODX-ZETCQYMHSA-N 1 0 207.302 2.055 10 0 BEAERO [NH3+]C1(C(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000307400006 352572223 /nfs/dbraw/zinc/57/22/23/352572223.db2.gz YHICFPFSNQULSI-MRVPVSSYSA-N 1 0 217.259 2.262 10 0 BEAERO Cc1cc([C@@H](C)N2CC[NH2+]CC2)cs1 ZINC000307399409 352572246 /nfs/dbraw/zinc/57/22/46/352572246.db2.gz WLZQDOJXRLSFBU-SNVBAGLBSA-N 1 0 210.346 2.023 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@H]1c1ncc(Cl)s1 ZINC000300763932 352573789 /nfs/dbraw/zinc/57/37/89/352573789.db2.gz NQOKDMCPXVUCSY-NTSWFWBYSA-N 1 0 202.710 2.247 10 0 BEAERO CC(C)[C@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000020309678 187762650 /nfs/dbraw/zinc/76/26/50/187762650.db2.gz HQPHMANTZFATNH-LBPRGKRZSA-N 1 0 226.364 2.023 10 0 BEAERO C[C@H](NC1=[NH+][C@H](C)CCS1)C(F)F ZINC000307540699 352644409 /nfs/dbraw/zinc/64/44/09/352644409.db2.gz AFEPBVUNJKERBY-RITPCOANSA-N 1 0 208.277 2.111 10 0 BEAERO C[C@@H]1CSC[C@H]1NC(=[NH2+])C(C)(C)C ZINC000307542472 352645729 /nfs/dbraw/zinc/64/57/29/352645729.db2.gz QCAFXXKMGIYEOY-HTQZYQBOSA-N 1 0 200.351 2.351 10 0 BEAERO CCc1ccc([C@@H](CC)[NH2+]CCC(N)=O)cc1 ZINC000036746760 187768278 /nfs/dbraw/zinc/76/82/78/187768278.db2.gz DINUCICTCOWEMK-CYBMUJFWSA-N 1 0 234.343 2.165 10 0 BEAERO Cc1cnc(S[C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000042404861 187775152 /nfs/dbraw/zinc/77/51/52/187775152.db2.gz IWWNJOWWGNHMOK-GHMZBOCLSA-N 1 0 237.372 2.395 10 0 BEAERO CC[NH2+]CCC(C)(C)NC(=O)OC(C)(C)C ZINC000307600341 352666278 /nfs/dbraw/zinc/66/62/78/352666278.db2.gz SLPLMQXZTTVAIB-UHFFFAOYSA-N 1 0 230.352 2.289 10 0 BEAERO COc1nc([C@@H]2C[C@H](C)CC[NH2+]2)cs1 ZINC000307608747 352667134 /nfs/dbraw/zinc/66/71/34/352667134.db2.gz DDWWXGGLUSATCL-SFYZADRCSA-N 1 0 212.318 2.212 10 0 BEAERO N#CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000307602842 352667786 /nfs/dbraw/zinc/66/77/86/352667786.db2.gz XTDXRFFOJBUXJT-GOOCMWNKSA-N 1 0 241.338 2.253 10 0 BEAERO [NH3+]C1(C(=O)Cc2sccc2Cl)CC1 ZINC000307607512 352668396 /nfs/dbraw/zinc/66/83/96/352668396.db2.gz CFFJXBUXUXIFHP-UHFFFAOYSA-N 1 0 215.705 2.004 10 0 BEAERO c1cc(CSC2=[NH+]CCCN2)cs1 ZINC000307484156 352620172 /nfs/dbraw/zinc/62/01/72/352620172.db2.gz AZJRTAHLRCOOFI-UHFFFAOYSA-N 1 0 212.343 2.331 10 0 BEAERO CCn1cc(NC(=[NH2+])NCc2ccccc2)cn1 ZINC000307514111 352632153 /nfs/dbraw/zinc/63/21/53/352632153.db2.gz GFQLYLYDYVPOKN-UHFFFAOYSA-N 1 0 243.314 2.039 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000638756821 352687095 /nfs/dbraw/zinc/68/70/95/352687095.db2.gz LQASCECMYWWIIJ-QWRGUYRKSA-N 1 0 248.326 2.157 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000638756822 352687296 /nfs/dbraw/zinc/68/72/96/352687296.db2.gz LQASCECMYWWIIJ-WDEREUQCSA-N 1 0 248.326 2.157 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)cc(O)c1 ZINC000638756678 352687375 /nfs/dbraw/zinc/68/73/75/352687375.db2.gz JVCXFZGWMORKMR-BXKDBHETSA-N 1 0 236.315 2.013 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638756899 352687428 /nfs/dbraw/zinc/68/74/28/352687428.db2.gz DYXWZPKZBCKQAI-SCRDCRAPSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCC2(CC2)CC1 ZINC000638755718 352689654 /nfs/dbraw/zinc/68/96/54/352689654.db2.gz FRSCKNPFLXADKQ-NWDGAFQWSA-N 1 0 238.375 2.153 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000638756332 352690038 /nfs/dbraw/zinc/69/00/38/352690038.db2.gz HHTYAFVJUSKKFT-GWCFXTLKSA-N 1 0 248.326 2.014 10 0 BEAERO COc1ccc(C[C@@H]2CSC[C@H]2[NH3+])cc1F ZINC000096988078 187802459 /nfs/dbraw/zinc/80/24/59/187802459.db2.gz WMIMHHJACUZKSW-MWLCHTKSSA-N 1 0 241.331 2.067 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000638758333 352693006 /nfs/dbraw/zinc/69/30/06/352693006.db2.gz ZCQPULUIYJTQGA-MFKMUULPSA-N 1 0 248.326 2.027 10 0 BEAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000134236876 187809967 /nfs/dbraw/zinc/80/99/67/187809967.db2.gz TUUQARVAMJHLRY-YWPYICTPSA-N 1 0 249.354 2.393 10 0 BEAERO [NH3+]Cc1cc(OC(F)F)cc(F)c1F ZINC000307651711 352741749 /nfs/dbraw/zinc/74/17/49/352741749.db2.gz MIDSODMIZMUBNM-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO F[C@@H](c1cnsc1)[C@@H]1CCC[NH2+]C1 ZINC000405066157 352749219 /nfs/dbraw/zinc/74/92/19/352749219.db2.gz DFDOIUSYRWPRGU-VXNVDRBHSA-N 1 0 200.282 2.153 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cccnc2)[C@H](C)C1 ZINC000049694162 535187161 /nfs/dbraw/zinc/18/71/61/535187161.db2.gz NDAWFLNQGFKGCL-CHWSQXEVSA-N 1 0 233.359 2.439 10 0 BEAERO F[C@@H](c1cnsc1)[C@H]1CCC[NH2+]C1 ZINC000405066154 352749483 /nfs/dbraw/zinc/74/94/83/352749483.db2.gz DFDOIUSYRWPRGU-IONNQARKSA-N 1 0 200.282 2.153 10 0 BEAERO CCC[C@@H](C(=O)NCC(CC)CC)[NH+](C)C ZINC000152708310 538105749 /nfs/dbraw/zinc/10/57/49/538105749.db2.gz LNKYICZHIWKQCZ-LBPRGKRZSA-N 1 0 228.380 2.269 10 0 BEAERO Cc1c[nH+]ccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000191976661 363197789 /nfs/dbraw/zinc/19/77/89/363197789.db2.gz ZAXZCCVYTQEVLL-QWRGUYRKSA-N 1 0 206.289 2.004 10 0 BEAERO Cc1cc(SC(C)C)cc(C(N)=[NH2+])n1 ZINC000306496379 353019623 /nfs/dbraw/zinc/01/96/23/353019623.db2.gz XNOMJAGMAPDMGR-UHFFFAOYSA-N 1 0 209.318 2.175 10 0 BEAERO [NH3+][C@H](c1ccsc1Cl)[C@@H]1CCOC1 ZINC000306348020 353006057 /nfs/dbraw/zinc/00/60/57/353006057.db2.gz FYHDENZXAITUDF-SVRRBLITSA-N 1 0 217.721 2.438 10 0 BEAERO COc1ccc([C@@H]2C[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC000197437898 323945026 /nfs/dbraw/zinc/94/50/26/323945026.db2.gz XQYZITZLEACFSW-WXHSDQCUSA-N 1 0 203.285 2.018 10 0 BEAERO CC[C@@](C)([NH3+])c1ncccc1Br ZINC000307387684 353072956 /nfs/dbraw/zinc/07/29/56/353072956.db2.gz DPVCVKQIUONOSC-SECBINFHSA-N 1 0 229.121 2.428 10 0 BEAERO CCC(C)(C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638865411 353038962 /nfs/dbraw/zinc/03/89/62/353038962.db2.gz GLBCEAXYFQSXNJ-GHMZBOCLSA-N 1 0 226.364 2.056 10 0 BEAERO CC[NH2+]Cc1cc(Br)oc1C ZINC000306837436 353042301 /nfs/dbraw/zinc/04/23/01/353042301.db2.gz VOBUYFYADNPXLU-UHFFFAOYSA-N 1 0 218.094 2.460 10 0 BEAERO Oc1cccc([C@@H]2C[NH2+]CC23CCC3)c1 ZINC000536951799 323957221 /nfs/dbraw/zinc/95/72/21/323957221.db2.gz WWTJZHIBWJYUMO-LBPRGKRZSA-N 1 0 203.285 2.249 10 0 BEAERO CC[N@H+](CCC(N)=S)Cc1ccccc1 ZINC000020486434 169820179 /nfs/dbraw/zinc/82/01/79/169820179.db2.gz OFMACUUBSGCYLQ-UHFFFAOYSA-N 1 0 222.357 2.185 10 0 BEAERO Cc1cccnc1[C@@]1(C[NH3+])CCCS1 ZINC000307723781 353112086 /nfs/dbraw/zinc/11/20/86/353112086.db2.gz WFFCXUBMRBDWOO-NSHDSACASA-N 1 0 208.330 2.071 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1N(C)Cc1ccccc1 ZINC000307727975 353115164 /nfs/dbraw/zinc/11/51/64/353115164.db2.gz GJQFDJZYVCMCTD-OCCSQVGLSA-N 1 0 218.344 2.259 10 0 BEAERO C[NH+]1CCC(c2ccc(CCO)cc2)CC1 ZINC000222985279 353094251 /nfs/dbraw/zinc/09/42/51/353094251.db2.gz NUZMJJLHBBYHCS-UHFFFAOYSA-N 1 0 219.328 2.031 10 0 BEAERO Cc1cccc2c1C=C(C[C@@H]([NH3+])CN)CC2 ZINC000140572111 353124643 /nfs/dbraw/zinc/12/46/43/353124643.db2.gz VOXVIFBXCZLKNB-CYBMUJFWSA-N 1 0 216.328 2.001 10 0 BEAERO CC(C)([NH3+])c1csc(C2CSC2)n1 ZINC000405173137 353137251 /nfs/dbraw/zinc/13/72/51/353137251.db2.gz CIGIECKLMRPTMC-UHFFFAOYSA-N 1 0 214.359 2.167 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ncc(Cl)s1 ZINC000223112130 353137519 /nfs/dbraw/zinc/13/75/19/353137519.db2.gz GMHWUVFYFNPFNG-ZLUOBGJFSA-N 1 0 202.710 2.247 10 0 BEAERO CC(C)C(=[NH2+])NCC1CCSCC1 ZINC000229395952 353145529 /nfs/dbraw/zinc/14/55/29/353145529.db2.gz LECMSHQJFRFEQP-UHFFFAOYSA-N 1 0 200.351 2.352 10 0 BEAERO CC(C)C[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000020072517 188073858 /nfs/dbraw/zinc/07/38/58/188073858.db2.gz OAFPENVDHGXWAW-CQSZACIVSA-N 1 0 220.360 2.492 10 0 BEAERO C([NH2+]C1CCCCCC1)[C@@H]1[C@H]2COC[C@H]21 ZINC000375745082 188082238 /nfs/dbraw/zinc/08/22/38/188082238.db2.gz PDAYQWPLPONWQR-XYYAHUGASA-N 1 0 209.333 2.191 10 0 BEAERO C[N@@H+]1CCc2cccc3c2[C@@H]1CCC3=O ZINC000143120255 353155759 /nfs/dbraw/zinc/15/57/59/353155759.db2.gz NJJFNNCHDSQZLW-NSHDSACASA-N 1 0 201.269 2.192 10 0 BEAERO CC(C)([NH3+])C(=O)Nc1cccc(-c2cnco2)c1 ZINC000040922876 188084614 /nfs/dbraw/zinc/08/46/14/188084614.db2.gz ZIWTUIDKLSNHTN-UHFFFAOYSA-N 1 0 245.282 2.017 10 0 BEAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@H](C)CC1 ZINC000252181873 363204590 /nfs/dbraw/zinc/20/45/90/363204590.db2.gz QDVNEVNRUGIALX-VHSXEESVSA-N 1 0 214.378 2.173 10 0 BEAERO Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[C@H]1C ZINC000281447865 188095602 /nfs/dbraw/zinc/09/56/02/188095602.db2.gz SPJUJMBVHFLUOC-BXKDBHETSA-N 1 0 207.321 2.270 10 0 BEAERO CC(C)(C)[C@@H](CO)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000287855601 188095777 /nfs/dbraw/zinc/09/57/77/188095777.db2.gz RMACDZMEUWXVBJ-GXTWGEPZSA-N 1 0 233.355 2.323 10 0 BEAERO Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000037182436 188098390 /nfs/dbraw/zinc/09/83/90/188098390.db2.gz WYFHOHUWGHPEGV-UHFFFAOYSA-N 1 0 222.357 2.457 10 0 BEAERO COc1ccc(C[C@H](C)[NH+](C)C)c(OC)c1 ZINC000006021009 188103157 /nfs/dbraw/zinc/10/31/57/188103157.db2.gz ZJXZIOOUNIATPP-JTQLQIEISA-N 1 0 223.316 2.196 10 0 BEAERO CC(C)(C)c1ccc(OC[C@@](C)(O)C[NH3+])cc1 ZINC000019668001 188107698 /nfs/dbraw/zinc/10/76/98/188107698.db2.gz KSCSDPYPKNRLBG-AWEZNQCLSA-N 1 0 237.343 2.073 10 0 BEAERO COc1ccc([C@H]([NH3+])c2ccoc2)cc1F ZINC000035424403 188111675 /nfs/dbraw/zinc/11/16/75/188111675.db2.gz STCLBAFIJBVJJU-LBPRGKRZSA-N 1 0 221.231 2.475 10 0 BEAERO CC(C)(C)n1c2ccccc2nc1CC[NH3+] ZINC000036896010 188113540 /nfs/dbraw/zinc/11/35/40/188113540.db2.gz USCLACZHAITTLL-UHFFFAOYSA-N 1 0 217.316 2.293 10 0 BEAERO CCc1nccn1-c1ccc(C[NH2+]C)cc1 ZINC000042420045 188119536 /nfs/dbraw/zinc/11/95/36/188119536.db2.gz XMYPFQWWNCDNLE-UHFFFAOYSA-N 1 0 215.300 2.154 10 0 BEAERO CC(C)C[C@H](C)N(C)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000042592465 188120270 /nfs/dbraw/zinc/12/02/70/188120270.db2.gz SMGUJCSLJCYSDR-FRRDWIJNSA-N 1 0 240.391 2.268 10 0 BEAERO Oc1ccc(SC[C@H]2CCC[NH2+]2)cc1 ZINC000043497449 188122084 /nfs/dbraw/zinc/12/20/84/188122084.db2.gz VEZFYFMPRKTKKS-SECBINFHSA-N 1 0 209.314 2.236 10 0 BEAERO OCC1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000095078442 188145378 /nfs/dbraw/zinc/14/53/78/188145378.db2.gz YYPTYNJVDRKKQG-UHFFFAOYSA-N 1 0 231.339 2.281 10 0 BEAERO CCCn1cccc1C[NH2+]C[C@H]1CCCO1 ZINC000045205843 188123395 /nfs/dbraw/zinc/12/33/95/188123395.db2.gz JTNJZXHMVQQSCU-CYBMUJFWSA-N 1 0 222.332 2.167 10 0 BEAERO CC(C)N(C)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044761601 188123630 /nfs/dbraw/zinc/12/36/30/188123630.db2.gz JISNXTLPWCGUKA-UHFFFAOYSA-N 1 0 226.364 2.153 10 0 BEAERO COc1ccc([C@@H]([NH3+])[C@H]2CCOC2)c(Cl)c1 ZINC000048626037 188124767 /nfs/dbraw/zinc/12/47/67/188124767.db2.gz IFXBBDBOPYNQTQ-UFBFGSQYSA-N 1 0 241.718 2.385 10 0 BEAERO CC(C)[C@@H]([NH3+])c1nc2ccc(F)cc2n1C ZINC000052124423 188126489 /nfs/dbraw/zinc/12/64/89/188126489.db2.gz SFSXOYMNXPVLKL-LLVKDONJSA-N 1 0 221.279 2.368 10 0 BEAERO Cc1cccc([S@](=O)C2CCC([NH3+])CC2)c1 ZINC000055144906 188127269 /nfs/dbraw/zinc/12/72/69/188127269.db2.gz IAENTSBOUWDAFE-PPUFBPAQSA-N 1 0 237.368 2.373 10 0 BEAERO Cc1nn(Cc2ccccc2F)c(C)c1CC[NH3+] ZINC000054740932 188127420 /nfs/dbraw/zinc/12/74/20/188127420.db2.gz OXOSYVKJCAXPGE-UHFFFAOYSA-N 1 0 247.317 2.189 10 0 BEAERO Cc1cccc([C@@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)c1 ZINC000072415294 188131496 /nfs/dbraw/zinc/13/14/96/188131496.db2.gz UYJLZFGNCCHEGR-AAEUAGOBSA-N 1 0 227.311 2.448 10 0 BEAERO Cc1ccc(Br)c(CC[NH3+])c1F ZINC000075845463 188132669 /nfs/dbraw/zinc/13/26/69/188132669.db2.gz XZLRDJFMGOOGKC-UHFFFAOYSA-N 1 0 232.096 2.398 10 0 BEAERO CC[C@H](CC[NH3+])C(=O)Nc1cccc(C(C)=O)c1 ZINC000076633756 188133927 /nfs/dbraw/zinc/13/39/27/188133927.db2.gz LBQUFTMRVIINNB-LLVKDONJSA-N 1 0 248.326 2.203 10 0 BEAERO CC[C@H](CC[NH3+])C(=O)N[C@H](C)c1ccccc1 ZINC000076616423 188133999 /nfs/dbraw/zinc/13/39/99/188133999.db2.gz LKMCUWCDJKIVMC-VXGBXAGGSA-N 1 0 234.343 2.239 10 0 BEAERO CC(C)C[C@@H](C[NH3+])CC(=O)N1CCC(C)CC1 ZINC000076622429 188134495 /nfs/dbraw/zinc/13/44/95/188134495.db2.gz XKRQEUQZVJWLDN-CYBMUJFWSA-N 1 0 240.391 2.256 10 0 BEAERO COc1ccc(O[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000076671598 188135545 /nfs/dbraw/zinc/13/55/45/188135545.db2.gz OAIAOYOKBAZSMF-GXFFZTMASA-N 1 0 221.300 2.344 10 0 BEAERO COc1ccc([C@@H](C)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000083361243 188141274 /nfs/dbraw/zinc/14/12/74/188141274.db2.gz MSTMSBUWNUWRSE-NWDGAFQWSA-N 1 0 234.343 2.050 10 0 BEAERO CC(=O)Nc1ccccc1C[NH2+][C@H]1C[C@@H]1C ZINC000085573334 188142957 /nfs/dbraw/zinc/14/29/57/188142957.db2.gz SVKZVZOFHPPKCU-ZANVPECISA-N 1 0 218.300 2.143 10 0 BEAERO C[C@H]1CCCN(C(=O)C[NH2+]C2CCCC2)CC1 ZINC000104360970 188151209 /nfs/dbraw/zinc/15/12/09/188151209.db2.gz HMRRJXXUZFLKLI-LBPRGKRZSA-N 1 0 238.375 2.167 10 0 BEAERO CC(C)(O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045086121 188152368 /nfs/dbraw/zinc/15/23/68/188152368.db2.gz HEVVHLRKEMHAJO-GFCCVEGCSA-N 1 0 211.349 2.412 10 0 BEAERO Cc1ccc(COC[C@H]2CCCC[NH2+]2)o1 ZINC000051815937 188157000 /nfs/dbraw/zinc/15/70/00/188157000.db2.gz QOBBKMAGJYSNMH-LLVKDONJSA-N 1 0 209.289 2.247 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000638996815 353237985 /nfs/dbraw/zinc/23/79/85/353237985.db2.gz OGRBFOWDWTXCAT-KGYLQXTDSA-N 1 0 238.375 2.056 10 0 BEAERO FC(F)(F)c1ccc(N[C@H]2CC[NH2+]C2)cc1 ZINC000054187050 180893422 /nfs/dbraw/zinc/89/34/22/180893422.db2.gz GXFRRVSARFZXLB-JTQLQIEISA-N 1 0 230.233 2.479 10 0 BEAERO CC(C)[C@H](C)[NH2+]CCN1CCCC[C@@H]1C ZINC000053343454 188164144 /nfs/dbraw/zinc/16/41/44/188164144.db2.gz SKBLASTUPTVFOX-STQMWFEESA-N 1 0 212.381 2.495 10 0 BEAERO C[C@@H](CC1CCC1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000638995819 353238715 /nfs/dbraw/zinc/23/87/15/353238715.db2.gz GGFSZKOFMZWNEE-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000638995743 353238307 /nfs/dbraw/zinc/23/83/07/353238307.db2.gz FRWBOBFBABGDIU-BXUZGUMPSA-N 1 0 238.375 2.214 10 0 BEAERO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cs1 ZINC000638994134 353225630 /nfs/dbraw/zinc/22/56/30/353225630.db2.gz JTSMCNDWIPTIEL-DTWKUNHWSA-N 1 0 224.329 2.122 10 0 BEAERO CC(C)Cc1scnc1[C@@H]1CC[NH2+]C1 ZINC000082374020 188174467 /nfs/dbraw/zinc/17/44/67/188174467.db2.gz JHPOHUCXRFUFRF-SECBINFHSA-N 1 0 210.346 2.419 10 0 BEAERO COc1cc(C)ccc1OC(C)(C)C[NH3+] ZINC000020398650 188175908 /nfs/dbraw/zinc/17/59/08/188175908.db2.gz FNLLEJNXWTUFKB-UHFFFAOYSA-N 1 0 209.289 2.120 10 0 BEAERO CC(C)([NH3+])CC(=O)Nc1cccc2c1OCCC2 ZINC000365047275 188177566 /nfs/dbraw/zinc/17/75/66/188177566.db2.gz WSBUSUHJUFUOCB-UHFFFAOYSA-N 1 0 248.326 2.078 10 0 BEAERO Cc1ccc(OCC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000027521454 188180497 /nfs/dbraw/zinc/18/04/97/188180497.db2.gz MDVGXAXBBJKBFM-CYBMUJFWSA-N 1 0 237.343 2.123 10 0 BEAERO COc1ccc2[nH]c(C)c(C[C@@H](C)[NH3+])c2c1 ZINC000032220296 188181291 /nfs/dbraw/zinc/18/12/91/188181291.db2.gz KQABRKIUSICDLA-MRVPVSSYSA-N 1 0 218.300 2.375 10 0 BEAERO CCOc1ccccc1-c1c[nH]c(N)[nH+]1 ZINC000031891150 188181513 /nfs/dbraw/zinc/18/15/13/188181513.db2.gz WUHJXRHPEOTYLR-UHFFFAOYSA-N 1 0 203.245 2.058 10 0 BEAERO [NH3+]Cc1ccc(Sc2nc[nH]n2)c(Cl)c1 ZINC000062793367 188185481 /nfs/dbraw/zinc/18/54/81/188185481.db2.gz MHQOEEKMKNQZJT-UHFFFAOYSA-N 1 0 240.719 2.068 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)CC1CCC1 ZINC000638997455 353243810 /nfs/dbraw/zinc/24/38/10/353243810.db2.gz QMJQTRXAQAQCHA-ZYHUDNBSSA-N 1 0 226.364 2.055 10 0 BEAERO C[C@@H](C[NH3+])c1csc(-c2cncs2)n1 ZINC000165261877 353270398 /nfs/dbraw/zinc/27/03/98/353270398.db2.gz AOJRDCNSFCGTTK-LURJTMIESA-N 1 0 225.342 2.329 10 0 BEAERO CC(C)[N@@H+]1CCN[C@H](c2cccs2)C1 ZINC000077304299 188222032 /nfs/dbraw/zinc/22/20/32/188222032.db2.gz DVVCZOWIHHBTDH-JTQLQIEISA-N 1 0 210.346 2.103 10 0 BEAERO CC(C)C[C@H](C[NH2+][C@@H]1CCCSC1)N(C)C ZINC000061572290 188223053 /nfs/dbraw/zinc/22/30/53/188223053.db2.gz UCQBRAJSNFFMGE-CHWSQXEVSA-N 1 0 244.448 2.448 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000336705869 180936037 /nfs/dbraw/zinc/93/60/37/180936037.db2.gz PPLHDALKNKTLTL-VHSXEESVSA-N 1 0 239.281 2.386 10 0 BEAERO Cc1ccncc1C[NH2+]CC[C@H]1CCCO1 ZINC000135454942 538115406 /nfs/dbraw/zinc/11/54/06/538115406.db2.gz ZHTFXWAMMZCZHW-CYBMUJFWSA-N 1 0 220.316 2.049 10 0 BEAERO C[C@H]([NH3+])[C@H](C)c1nc2cccnc2s1 ZINC000165692148 353458165 /nfs/dbraw/zinc/45/81/65/353458165.db2.gz IVVYJUFIHXPHSZ-BQBZGAKWSA-N 1 0 207.302 2.142 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)c1nc2cnccc2s1 ZINC000165692286 353458308 /nfs/dbraw/zinc/45/83/08/353458308.db2.gz ZNEVGRLCDCOICF-RNFRBKRXSA-N 1 0 207.302 2.142 10 0 BEAERO Fc1ccc(Cl)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000076676824 180972757 /nfs/dbraw/zinc/97/27/57/180972757.db2.gz AHBKQNKZINRPTA-SNVBAGLBSA-N 1 0 229.682 2.358 10 0 BEAERO c1ccc2c(c1)C[N@H+]([C@@H]1CCOC1)CC21CC1 ZINC000334515088 353590473 /nfs/dbraw/zinc/59/04/73/353590473.db2.gz NHUFHKMWUKXDIO-CYBMUJFWSA-N 1 0 229.323 2.323 10 0 BEAERO c1ccc2c(c1)C[N@H+]([C@H]1CCOC1)CC21CC1 ZINC000334515091 353590778 /nfs/dbraw/zinc/59/07/78/353590778.db2.gz NHUFHKMWUKXDIO-ZDUSSCGKSA-N 1 0 229.323 2.323 10 0 BEAERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(F)cc1Cl ZINC000020595448 188463153 /nfs/dbraw/zinc/46/31/53/188463153.db2.gz WFGGPBSDYWXVPP-JTQLQIEISA-N 1 0 244.697 2.401 10 0 BEAERO COc1ccc(OCC[C@H]([NH3+])C2CC2)cc1 ZINC000032013984 188466044 /nfs/dbraw/zinc/46/60/44/188466044.db2.gz YAMXPHNPEBWCJQ-ZDUSSCGKSA-N 1 0 221.300 2.201 10 0 BEAERO CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917280 358480101 /nfs/dbraw/zinc/48/01/01/358480101.db2.gz ADRODLQIYFQNKS-OLZOCXBDSA-N 1 0 238.375 2.167 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000393830409 353679617 /nfs/dbraw/zinc/67/96/17/353679617.db2.gz JTDANAYLGXJMHT-STQMWFEESA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917142 358480001 /nfs/dbraw/zinc/48/00/01/358480001.db2.gz IJRJQXDDGFQODY-VXGBXAGGSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)c1ccnc([C@@H]2CCC[NH2+]C2)n1 ZINC000070951562 188468968 /nfs/dbraw/zinc/46/89/68/188468968.db2.gz FKVNZNUIKXWQPZ-SNVBAGLBSA-N 1 0 205.305 2.067 10 0 BEAERO Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375607550 181005217 /nfs/dbraw/zinc/00/52/17/181005217.db2.gz UFGNUZFBTHZLQC-XPCVCDNBSA-N 1 0 247.313 2.295 10 0 BEAERO [NH3+][C@H](C1CC1)[C@@H]1Cc2ccccc2S1 ZINC000097239554 353714905 /nfs/dbraw/zinc/71/49/05/353714905.db2.gz CBZGLGRVEPMWKH-NWDGAFQWSA-N 1 0 205.326 2.441 10 0 BEAERO CC(C)[C@H](C)N(C)C(=O)C1(C[NH3+])CCCC1 ZINC000044762850 188480639 /nfs/dbraw/zinc/48/06/39/188480639.db2.gz DJUDJUMBRVMECA-NSHDSACASA-N 1 0 226.364 2.008 10 0 BEAERO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399028648 353715440 /nfs/dbraw/zinc/71/54/40/353715440.db2.gz KOSIINDILKXGRN-QWRGUYRKSA-N 1 0 249.314 2.456 10 0 BEAERO Fc1cccc(N[C@@H]2CCC[NH2+]C2)c1F ZINC000043327424 181001618 /nfs/dbraw/zinc/00/16/18/181001618.db2.gz QHVQYDDMYOKVOO-MRVPVSSYSA-N 1 0 212.243 2.129 10 0 BEAERO CN(C)c1ccc(NC(=[NH2+])NC(C)(C)C)cc1 ZINC000052069967 188482257 /nfs/dbraw/zinc/48/22/57/188482257.db2.gz KBHMSEXMUDNMLT-UHFFFAOYSA-N 1 0 234.347 2.487 10 0 BEAERO Fc1ccccc1C[NH2+]Cc1ccc[nH]1 ZINC000048436069 181012624 /nfs/dbraw/zinc/01/26/24/181012624.db2.gz OCZFRPDJGCBVIH-UHFFFAOYSA-N 1 0 204.248 2.444 10 0 BEAERO Nc1cccc(SC[C@H]2CCC[NH2+]2)c1 ZINC000083324053 188497925 /nfs/dbraw/zinc/49/79/25/188497925.db2.gz AGCZRRWVRUITPU-SNVBAGLBSA-N 1 0 208.330 2.113 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ccc(F)cc2C#N)C[NH2+]1 ZINC000399044816 353741560 /nfs/dbraw/zinc/74/15/60/353741560.db2.gz UCFLWQUMXJBQAV-SKDRFNHKSA-N 1 0 233.290 2.250 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)CO)c1cccc(OC)c1 ZINC000123303006 324221443 /nfs/dbraw/zinc/22/14/43/324221443.db2.gz AFFKXSOLEWMDRF-GWCFXTLKSA-N 1 0 223.316 2.117 10 0 BEAERO CCOC1CC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000343520480 353926382 /nfs/dbraw/zinc/92/63/82/353926382.db2.gz CNGXCMMBCBSPFK-NSQMUIRCSA-N 1 0 241.375 2.347 10 0 BEAERO COC[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000343530420 353929067 /nfs/dbraw/zinc/92/90/67/353929067.db2.gz JRCXFSVPYLMVJL-GYSYKLTISA-N 1 0 241.375 2.205 10 0 BEAERO CC(C)[N@H+](C)CCNc1ccccc1N ZINC000054111946 188535127 /nfs/dbraw/zinc/53/51/27/188535127.db2.gz DMMPYUGDBCCQDP-UHFFFAOYSA-N 1 0 207.321 2.021 10 0 BEAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1SC1CCOCC1 ZINC000252469703 363283409 /nfs/dbraw/zinc/28/34/09/363283409.db2.gz WSRNEYZJVREIEY-FBIMIBRVSA-N 1 0 215.362 2.024 10 0 BEAERO Cc1c[nH+]ccc1N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334645290 354403970 /nfs/dbraw/zinc/40/39/70/354403970.db2.gz OESZUUVPOXLLTL-TZMCWYRMSA-N 1 0 244.338 2.395 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000521401227 259455087 /nfs/dbraw/zinc/45/50/87/259455087.db2.gz ZSZACOUMQUPYON-NRUUGDAUSA-N 1 0 227.348 2.482 10 0 BEAERO CC(C)=CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334797903 354552586 /nfs/dbraw/zinc/55/25/86/354552586.db2.gz YFCWBCYAGRMWMP-STQMWFEESA-N 1 0 221.344 2.454 10 0 BEAERO Cc1cccc(C)c1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000335108189 354694009 /nfs/dbraw/zinc/69/40/09/354694009.db2.gz HLTWZOWPSNIEJJ-GFCCVEGCSA-N 1 0 247.342 2.129 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccoc1 ZINC000087289866 491067568 /nfs/dbraw/zinc/06/75/68/491067568.db2.gz ZOIJDNSPYHECRJ-WCQGTBRESA-N 1 0 209.289 2.234 10 0 BEAERO CC[C@](C)(O)c1cc([C@@H]2CC[C@@H](C)[NH2+]C2)no1 ZINC000584638643 491071074 /nfs/dbraw/zinc/07/10/74/491071074.db2.gz JPKREHJZJWPNSV-BREBYQMCSA-N 1 0 238.331 2.148 10 0 BEAERO NC(=[NH2+])CCOc1ccc(Br)cc1 ZINC000019488598 181186705 /nfs/dbraw/zinc/18/67/05/181186705.db2.gz RTMKCQFVRPLTLF-UHFFFAOYSA-N 1 0 243.104 2.154 10 0 BEAERO Nc1nc(CC(=[NH2+])NC2CCCCC2)cs1 ZINC000026470221 181185279 /nfs/dbraw/zinc/18/52/79/181185279.db2.gz AVWJPBTUQHXCLC-UHFFFAOYSA-N 1 0 238.360 2.167 10 0 BEAERO CC(C)Nc1ncc(Br)cc1C[NH3+] ZINC000166342725 355385621 /nfs/dbraw/zinc/38/56/21/355385621.db2.gz YOFOOSNIFRIZTK-UHFFFAOYSA-N 1 0 244.136 2.123 10 0 BEAERO NC(=[NH2+])c1cc(Cl)cc(Cl)c1F ZINC000075915131 181193521 /nfs/dbraw/zinc/19/35/21/181193521.db2.gz IYOFWJSAJCXPIO-UHFFFAOYSA-N 1 0 207.035 2.417 10 0 BEAERO NC(=[NH2+])c1ccc(-c2ccc(O)cc2)cc1 ZINC000001433256 181193539 /nfs/dbraw/zinc/19/35/39/181193539.db2.gz LYXGPCCFLYQXMQ-UHFFFAOYSA-N 1 0 212.252 2.343 10 0 BEAERO Cc1nc(C)c(C[C@@]2(C)CCC[NH2+]2)s1 ZINC000134343358 355397262 /nfs/dbraw/zinc/39/72/62/355397262.db2.gz TVVOLRVOQURYLU-LLVKDONJSA-N 1 0 210.346 2.445 10 0 BEAERO NC(=[NH2+])c1ccccc1-n1ccc(C2CC2)n1 ZINC000052884352 181196275 /nfs/dbraw/zinc/19/62/75/181196275.db2.gz RSTFTYNXFGGWLR-UHFFFAOYSA-N 1 0 226.283 2.034 10 0 BEAERO NC(=[NH2+])c1ccccc1CSc1ncccn1 ZINC000019870354 181195978 /nfs/dbraw/zinc/19/59/78/181195978.db2.gz GWTVHQOEJBMVOE-UHFFFAOYSA-N 1 0 244.323 2.053 10 0 BEAERO NC(=[NH2+])c1cccc(COCC(F)(F)F)c1 ZINC000019429642 181196145 /nfs/dbraw/zinc/19/61/45/181196145.db2.gz YLDDTLJSEFKOIZ-UHFFFAOYSA-N 1 0 232.205 2.050 10 0 BEAERO NC(=[NH2+])c1cccc(CSc2ncccn2)c1 ZINC000019870360 181196368 /nfs/dbraw/zinc/19/63/68/181196368.db2.gz MEXPRFPHFQTHFX-UHFFFAOYSA-N 1 0 244.323 2.053 10 0 BEAERO CC(C)(C)[C@H]1CC[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000166447630 355482431 /nfs/dbraw/zinc/48/24/31/355482431.db2.gz KZFOJQGXYGCYLM-WDEREUQCSA-N 1 0 209.333 2.476 10 0 BEAERO NC(=[NH2+])c1ccnc(N2CCc3ccccc32)c1 ZINC000019483020 181196951 /nfs/dbraw/zinc/19/69/51/181196951.db2.gz FCRSXKYBGYCSAY-UHFFFAOYSA-N 1 0 238.294 2.060 10 0 BEAERO NC(=[NH2+])c1ncccc1COc1ccc(F)cc1 ZINC000061658505 181197003 /nfs/dbraw/zinc/19/70/03/181197003.db2.gz SEXUMQUMLUULQX-UHFFFAOYSA-N 1 0 245.257 2.084 10 0 BEAERO NC(=[NH2+])c1nccc2c(Cl)cccc21 ZINC000082768613 181197050 /nfs/dbraw/zinc/19/70/50/181197050.db2.gz ZZNDCAJQZKFHHQ-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1ccnc(Oc2ccccc2F)c1 ZINC000019482997 181197728 /nfs/dbraw/zinc/19/77/28/181197728.db2.gz QNEIEUXTUNHJAO-UHFFFAOYSA-N 1 0 231.230 2.297 10 0 BEAERO C[C@H](C[NH3+])Sc1ccc(Cl)cc1N ZINC000160243510 355579620 /nfs/dbraw/zinc/57/96/20/355579620.db2.gz CANXGVSJRFAXOF-ZCFIWIBFSA-N 1 0 216.737 2.362 10 0 BEAERO [NH2+]=C1c2cc(F)ccc2CN1C[C@H]1CCCO1 ZINC000071268497 181208181 /nfs/dbraw/zinc/20/81/81/181208181.db2.gz NAHYQHGHQKWTGM-LLVKDONJSA-N 1 0 234.274 2.146 10 0 BEAERO CCN1CC[C@H]([NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000389188443 355778957 /nfs/dbraw/zinc/77/89/57/355778957.db2.gz TYFWBTQULKTCDL-AVGNSLFASA-N 1 0 224.392 2.495 10 0 BEAERO NC(=[NH2+])SC[C@@H]1CCC2(CCCCC2)O1 ZINC000191698133 355834024 /nfs/dbraw/zinc/83/40/24/355834024.db2.gz ZOBLWNXSIJJFOD-VIFPVBQESA-N 1 0 228.361 2.495 10 0 BEAERO [NH3+][C@@H]1[C@H](O)c2ccccc2[C@@H]2CCCC[C@@H]21 ZINC000383971257 355840264 /nfs/dbraw/zinc/84/02/64/355840264.db2.gz ODVVAFUODGOJKC-DTCNJJKHSA-N 1 0 217.312 2.335 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2)C[NH2+]1 ZINC000399202906 355852065 /nfs/dbraw/zinc/85/20/65/355852065.db2.gz UUVCWWRDTRPOCP-ZWNOBZJWSA-N 1 0 215.300 2.111 10 0 BEAERO CC[N@@H+]1CC[C@@H](N=c2[nH]c3ccccc3s2)C1 ZINC000389211627 355879583 /nfs/dbraw/zinc/87/95/83/355879583.db2.gz BZRLBTCHTRNJDY-SNVBAGLBSA-N 1 0 247.367 2.224 10 0 BEAERO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000389345592 355973159 /nfs/dbraw/zinc/97/31/59/355973159.db2.gz UJLWNMJACLXTDC-IJLUTSLNSA-N 1 0 213.365 2.419 10 0 BEAERO NC(=O)[C@@H]([NH2+]Cc1ccccc1)C1CCCCC1 ZINC000037941240 181265152 /nfs/dbraw/zinc/26/51/52/181265152.db2.gz LYOYGAUOKMFPMF-AWEZNQCLSA-N 1 0 246.354 2.210 10 0 BEAERO CCc1nc(C[NH2+]C[C@H]2CCCOC2)cs1 ZINC000049591331 356493274 /nfs/dbraw/zinc/49/32/74/356493274.db2.gz DUGCCQGFGZRXTE-SNVBAGLBSA-N 1 0 240.372 2.222 10 0 BEAERO CC1CCC(C[NH2+]CC(C)(C)CO)CC1 ZINC000088170727 491095158 /nfs/dbraw/zinc/09/51/58/491095158.db2.gz RRIXRJNLZTVWLL-UHFFFAOYSA-N 1 0 213.365 2.421 10 0 BEAERO CC[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)NC ZINC000449781837 202033679 /nfs/dbraw/zinc/03/36/79/202033679.db2.gz XDWDXMAGCQPLEQ-WOPDTQHZSA-N 1 0 240.391 2.315 10 0 BEAERO Cc1cc([C@@H]2C[C@@H]([NH3+])CCN2C)ccc1F ZINC000083307805 538467022 /nfs/dbraw/zinc/46/70/22/538467022.db2.gz LERJWVPZCZSJGP-AAEUAGOBSA-N 1 0 222.307 2.228 10 0 BEAERO c1ccc2c(c1)C=C[C@]1(CCC[NH2+]C1)O2 ZINC000675050657 538472723 /nfs/dbraw/zinc/47/27/23/538472723.db2.gz GKIZVAHZSDVYEW-ZDUSSCGKSA-N 1 0 201.269 2.214 10 0 BEAERO C[C@@]1(C(F)(F)C(F)(F)F)CC[C@@H](CC[NH3+])O1 ZINC000675056800 538479213 /nfs/dbraw/zinc/47/92/13/538479213.db2.gz PPRVONNKYJXZTI-BQBZGAKWSA-N 1 0 247.207 2.471 10 0 BEAERO O=Cc1ccc(C=C2CC[NH2+]CC2)cc1 ZINC000675051104 538473500 /nfs/dbraw/zinc/47/35/00/538473500.db2.gz AIJTURMZSZHZOM-UHFFFAOYSA-N 1 0 201.269 2.266 10 0 BEAERO CCN1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000675055732 538476508 /nfs/dbraw/zinc/47/65/08/538476508.db2.gz XCRZSIVFQRADFW-QWHCGFSZSA-N 1 0 222.307 2.310 10 0 BEAERO C[C@@H]1[C@@H](C)CCCN1CC12CCC(CC1)[NH2+]2 ZINC000675056026 538476958 /nfs/dbraw/zinc/47/69/58/538476958.db2.gz IJJZVLHCRWUGLT-MRFVTOPCSA-N 1 0 222.376 2.391 10 0 BEAERO CC1CCN(CC23CCC(CC2)[NH2+]3)CC1 ZINC000675055984 538477047 /nfs/dbraw/zinc/47/70/47/538477047.db2.gz GPBBCFXUSDUESZ-UHFFFAOYSA-N 1 0 208.349 2.003 10 0 BEAERO Cc1ccccc1[C@H]1CC[C@H](C[NH3+])OC1 ZINC000675060878 538487058 /nfs/dbraw/zinc/48/70/58/538487058.db2.gz QUOWYIJKMHRJPP-NWDGAFQWSA-N 1 0 205.301 2.216 10 0 BEAERO CCc1cn2c(n1)[C@@H](C(C)C)[NH2+]CCC2 ZINC000675067341 538493523 /nfs/dbraw/zinc/49/35/23/538493523.db2.gz AMEVDHZMTGFMFR-LLVKDONJSA-N 1 0 207.321 2.136 10 0 BEAERO CCON(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000675073453 538506146 /nfs/dbraw/zinc/50/61/46/538506146.db2.gz IZIFJSXYUKWNPI-CQSZACIVSA-N 1 0 234.343 2.192 10 0 BEAERO CCCc1ccc2c(c1)[C@H](C[NH3+])CCO2 ZINC000675073672 538506407 /nfs/dbraw/zinc/50/64/07/538506407.db2.gz MPWHIWLLEFPVGF-NSHDSACASA-N 1 0 205.301 2.464 10 0 BEAERO CCC(C)(C)[NH2+]Cc1c(OC)nsc1OC ZINC000675075658 538509502 /nfs/dbraw/zinc/50/95/02/538509502.db2.gz SZGVUMGHAFCMRV-UHFFFAOYSA-N 1 0 244.360 2.439 10 0 BEAERO [NH3+]CC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000083557702 538513812 /nfs/dbraw/zinc/51/38/12/538513812.db2.gz DWSACBLRYAIXOO-VIFPVBQESA-N 1 0 220.099 2.376 10 0 BEAERO CC(C)CC[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000220260348 538538385 /nfs/dbraw/zinc/53/83/85/538538385.db2.gz CSWBFTQKAKIGRX-LBPRGKRZSA-N 1 0 207.321 2.207 10 0 BEAERO C[C@@]1(C2CCCCC2)[NH2+]CCc2nc[nH]c21 ZINC000221392510 538560773 /nfs/dbraw/zinc/56/07/73/538560773.db2.gz IPIBEYISCKQWHX-ZDUSSCGKSA-N 1 0 219.332 2.351 10 0 BEAERO C[NH+](C)CC(=O)CCCc1ccccc1 ZINC000085792990 538546951 /nfs/dbraw/zinc/54/69/51/538546951.db2.gz UXWDJJHPJONWAG-UHFFFAOYSA-N 1 0 205.301 2.140 10 0 BEAERO C[C@H](C(=O)c1cccs1)[C@H]1CCC[NH2+]1 ZINC000086499579 538556323 /nfs/dbraw/zinc/55/63/23/538556323.db2.gz ZQSXXJIARFBZQA-DTWKUNHWSA-N 1 0 209.314 2.319 10 0 BEAERO Clc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000084054711 538527781 /nfs/dbraw/zinc/52/77/81/538527781.db2.gz PYIRLNBRDNQFER-SNVBAGLBSA-N 1 0 239.731 2.360 10 0 BEAERO CC[C@H](C[NH3+])[C@H](O)c1sccc1Cl ZINC000087723044 538569339 /nfs/dbraw/zinc/56/93/39/538569339.db2.gz UATHPIJMEMUKKQ-SVRRBLITSA-N 1 0 219.737 2.420 10 0 BEAERO C[C@H]1CCC[C@H](CC(=O)c2nccs2)[NH2+]1 ZINC000130356776 538588238 /nfs/dbraw/zinc/58/82/38/538588238.db2.gz UJQYTZTWDNKORB-DTWKUNHWSA-N 1 0 224.329 2.247 10 0 BEAERO C[C@@H]1CC[NH2+][C@H](CC(=O)c2cncs2)C1 ZINC000130390829 538589362 /nfs/dbraw/zinc/58/93/62/538589362.db2.gz SQFANLPOYKDDAY-BDAKNGLRSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@H]1CC[NH2+][C@H](CC(=O)c2ccco2)C1 ZINC000130297904 538590837 /nfs/dbraw/zinc/59/08/37/538590837.db2.gz OBZQRSYDKTWHHQ-UWVGGRQHSA-N 1 0 207.273 2.241 10 0 BEAERO CCC[C@@H](C)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000180086254 366372027 /nfs/dbraw/zinc/37/20/27/366372027.db2.gz LANBPBHNSJPDPC-ZIAGYGMSSA-N 1 0 242.407 2.075 10 0 BEAERO C/C=C\C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000384795679 356751648 /nfs/dbraw/zinc/75/16/48/356751648.db2.gz WQNQTHRFPMVZNT-GFVADAIESA-N 1 0 228.336 2.065 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@H]1c1cc(F)cc(F)c1 ZINC000257586728 538737147 /nfs/dbraw/zinc/73/71/47/538737147.db2.gz PDEPJIGNWGLTQI-RYUDHWBXSA-N 1 0 226.270 2.059 10 0 BEAERO CN1CC[C@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000257584136 538737308 /nfs/dbraw/zinc/73/73/08/538737308.db2.gz FHNAWGIPICODMB-RYUDHWBXSA-N 1 0 224.735 2.434 10 0 BEAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000623374090 356886222 /nfs/dbraw/zinc/88/62/22/356886222.db2.gz VTLOCKWHJPCFRZ-GHMZBOCLSA-N 1 0 240.734 2.128 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000117383646 356979233 /nfs/dbraw/zinc/97/92/33/356979233.db2.gz JOFHCUVLQOOJEJ-LLVKDONJSA-N 1 0 239.388 2.025 10 0 BEAERO C[C@H]1CN(Cc2ccccc2)[C@@H](C2CC2)C[NH2+]1 ZINC000223645750 356985088 /nfs/dbraw/zinc/98/50/88/356985088.db2.gz GGDXWYFAUSNXHO-SWLSCSKDSA-N 1 0 230.355 2.259 10 0 BEAERO C[NH2+]CCc1cc(Cl)cc2c1OCC2 ZINC000160478622 356991665 /nfs/dbraw/zinc/99/16/65/356991665.db2.gz DIDIARGOYIVGLV-UHFFFAOYSA-N 1 0 211.692 2.037 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000389586873 356995380 /nfs/dbraw/zinc/99/53/80/356995380.db2.gz ZCLLSMKBPCVGDQ-XDQVBPFNSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1cccc(CC[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000399736568 357033096 /nfs/dbraw/zinc/03/30/96/357033096.db2.gz UZBZSUHGJLVLDN-OAHLLOKOSA-N 1 0 248.370 2.169 10 0 BEAERO CC(C)OCCOCC[NH2+]Cc1ccccc1 ZINC000053556210 357043179 /nfs/dbraw/zinc/04/31/79/357043179.db2.gz KUWJWDARGALBEL-UHFFFAOYSA-N 1 0 237.343 2.218 10 0 BEAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncnc2ccccc21 ZINC000389693228 357015902 /nfs/dbraw/zinc/01/59/02/357015902.db2.gz AFBAEJJTAWKGHJ-MFKMUULPSA-N 1 0 242.326 2.040 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1nccc(C(C)(C)C)n1 ZINC000389706743 357017964 /nfs/dbraw/zinc/01/79/64/357017964.db2.gz ONGSBDAWSHRXLY-QWRGUYRKSA-N 1 0 248.374 2.184 10 0 BEAERO Cc1c(C[NH2+]C(C)(C)C(C)C)cnn1C ZINC000389900121 357064536 /nfs/dbraw/zinc/06/45/36/357064536.db2.gz CKUFNEXWOMYFKW-UHFFFAOYSA-N 1 0 209.337 2.253 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000053590852 357067248 /nfs/dbraw/zinc/06/72/48/357067248.db2.gz HUQVRJAMCDSPDP-JSGCOSHPSA-N 1 0 241.375 2.350 10 0 BEAERO [NH3+]CCCc1cc(Br)ccc1F ZINC000035321573 357070381 /nfs/dbraw/zinc/07/03/81/357070381.db2.gz NOFPUSMVCCTODO-UHFFFAOYSA-N 1 0 232.096 2.480 10 0 BEAERO Cc1csc(NC2(C)CC[NH2+]CC2)n1 ZINC000160585217 357092006 /nfs/dbraw/zinc/09/20/06/357092006.db2.gz TYFZMFOONCWCOS-UHFFFAOYSA-N 1 0 211.334 2.006 10 0 BEAERO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000156941799 538802666 /nfs/dbraw/zinc/80/26/66/538802666.db2.gz FTSWXTAMXSFUGV-WXHSDQCUSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCC[C@H]2O)C[C@@H](C)O1 ZINC000582431919 357147441 /nfs/dbraw/zinc/14/74/41/357147441.db2.gz VGYKGTWMBVFHTQ-HBJVGIJOSA-N 1 0 241.375 2.083 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000390771654 357116034 /nfs/dbraw/zinc/11/60/34/357116034.db2.gz WMNDPPMDIMRRAQ-YNEHKIRRSA-N 1 0 223.360 2.460 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389557920 538822940 /nfs/dbraw/zinc/82/29/40/538822940.db2.gz SKBYOKAGSLRSTF-DGCLKSJQSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1C[C@H]1CO ZINC000393195890 357278360 /nfs/dbraw/zinc/27/83/60/357278360.db2.gz ZVEDUNSQZBJNTH-NNYUYHANSA-N 1 0 211.349 2.172 10 0 BEAERO [NH3+][C@@H]1c2cc(Cl)ccc2CCC[C@H]1O ZINC000039941515 491110694 /nfs/dbraw/zinc/11/06/94/491110694.db2.gz LTOASGHNLCUQCF-GHMZBOCLSA-N 1 0 211.692 2.037 10 0 BEAERO CC[C@@](C)([C@H](N)c1ccccc1)[NH+](C)C ZINC000085745442 357400990 /nfs/dbraw/zinc/40/09/90/357400990.db2.gz NLNPTDUECXXCML-OLZOCXBDSA-N 1 0 206.333 2.417 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@@]1(C)C(C)C ZINC000397266836 357508995 /nfs/dbraw/zinc/50/89/95/357508995.db2.gz BQOYUIWYBJKDDW-RDBSUJKOSA-N 1 0 243.391 2.188 10 0 BEAERO CC1(C)CN(c2nc3ccccc3[nH]2)CC[C@@H]1[NH3+] ZINC000261557372 535359942 /nfs/dbraw/zinc/35/99/42/535359942.db2.gz COLWICIKSQVESG-LBPRGKRZSA-N 1 0 244.342 2.127 10 0 BEAERO Cc1nc2ccccc2nc1NCC[C@H](C)[NH3+] ZINC000063171575 357552569 /nfs/dbraw/zinc/55/25/69/357552569.db2.gz WGOABIWSVPHJBH-VIFPVBQESA-N 1 0 230.315 2.087 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)o1 ZINC000231532280 357609426 /nfs/dbraw/zinc/60/94/26/357609426.db2.gz IPTWHNYSROLRHJ-LSJOCFKGSA-N 1 0 224.304 2.201 10 0 BEAERO O=C(C[C@H]1CCCCC[NH2+]1)c1cscn1 ZINC000229142987 538881301 /nfs/dbraw/zinc/88/13/01/538881301.db2.gz RMOBNTMAAJTBIH-SECBINFHSA-N 1 0 224.329 2.248 10 0 BEAERO Cc1cnccc1CC[N@@H+]1CCC[C@H]1CCCO ZINC000397639049 357617700 /nfs/dbraw/zinc/61/77/00/357617700.db2.gz NDGQUMJJQQITAA-HNNXBMFYSA-N 1 0 248.370 2.169 10 0 BEAERO Cc1cnccc1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000397639050 357617748 /nfs/dbraw/zinc/61/77/48/357617748.db2.gz NDGQUMJJQQITAA-OAHLLOKOSA-N 1 0 248.370 2.169 10 0 BEAERO Cc1cccc([C@@H](N)C(=O)OC(C)(C)C)c1 ZINC000685939414 538886106 /nfs/dbraw/zinc/88/61/06/538886106.db2.gz XFZIGNDYHHYZAQ-LLVKDONJSA-N 1 0 221.300 2.337 10 0 BEAERO O[C@H](c1ccccc1)C12CCC(CC1)[NH2+]2 ZINC000685939352 538886300 /nfs/dbraw/zinc/88/63/00/538886300.db2.gz PJXCODZKIRVCRE-OTTFEQOBSA-N 1 0 203.285 2.005 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(OC)nc1 ZINC000232156057 357652778 /nfs/dbraw/zinc/65/27/78/357652778.db2.gz QCUCRJCDXRSCMU-NWDGAFQWSA-N 1 0 220.316 2.368 10 0 BEAERO CCC[C@H](C)C(=O)N[C@@]1(CC)CCC[NH2+]C1 ZINC000685947379 538889189 /nfs/dbraw/zinc/88/91/89/538889189.db2.gz MOLOUDPQESGDPL-AAEUAGOBSA-N 1 0 226.364 2.071 10 0 BEAERO CCC[C@H](C)C(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947905 538889758 /nfs/dbraw/zinc/88/97/58/538889758.db2.gz SSEMZWQJNLCDFH-ZBOXLXRLSA-N 1 0 226.364 2.199 10 0 BEAERO CC(C)[C@H](C)C(=O)NC1CCC(C)([NH3+])CC1 ZINC000685948117 538890475 /nfs/dbraw/zinc/89/04/75/538890475.db2.gz YCWHLIYKLXDWIR-ZBOXLXRLSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)(C)c1ccc2c(c1)OCC[NH2+]C2 ZINC000685948352 538890564 /nfs/dbraw/zinc/89/05/64/538890564.db2.gz JKOIJDLMDIOETA-UHFFFAOYSA-N 1 0 205.301 2.466 10 0 BEAERO CCC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000685949014 538891606 /nfs/dbraw/zinc/89/16/06/538891606.db2.gz IGRRCRPOSGHBON-UHFFFAOYSA-N 1 0 206.289 2.229 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000233307443 357711757 /nfs/dbraw/zinc/71/17/57/357711757.db2.gz CAMPTHSADHRBGJ-ZYHUDNBSSA-N 1 0 236.363 2.311 10 0 BEAERO CC[C@@H]([NH2+]CC1CC(O)C1)[C@@H]1CC1(C)C ZINC000397850633 357738036 /nfs/dbraw/zinc/73/80/36/357738036.db2.gz VZGWEXKYHDDXBQ-MMVSWEMESA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000191791919 357797696 /nfs/dbraw/zinc/79/76/96/357797696.db2.gz ROJIYODOWIGGLR-RWMBFGLXSA-N 1 0 238.375 2.118 10 0 BEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](C)COC)C1(C)C ZINC000132961628 325257284 /nfs/dbraw/zinc/25/72/84/325257284.db2.gz OKRAPTCBRLTGAY-JHJVBQTASA-N 1 0 243.391 2.404 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCSC ZINC000086194158 357872345 /nfs/dbraw/zinc/87/23/45/357872345.db2.gz CSEUYIWAEQJIQJ-QWHCGFSZSA-N 1 0 242.432 2.298 10 0 BEAERO C[C@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000399265776 357900396 /nfs/dbraw/zinc/90/03/96/357900396.db2.gz NXAGGSXLYSWSIN-NEPJUHHUSA-N 1 0 240.391 2.269 10 0 BEAERO F[C@]1(Cc2cncs2)CCC[NH2+]CC1 ZINC000160734239 357930715 /nfs/dbraw/zinc/93/07/15/357930715.db2.gz JAZGFCHKQJDNTN-SNVBAGLBSA-N 1 0 214.309 2.167 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000639938706 357943997 /nfs/dbraw/zinc/94/39/97/357943997.db2.gz IZKRJTYEJNOXIG-MRVWCRGKSA-N 1 0 231.339 2.172 10 0 BEAERO CC(C)(C[NH3+])CNc1ccc(Cl)cn1 ZINC000168944992 357998467 /nfs/dbraw/zinc/99/84/67/357998467.db2.gz UEMQJTXRLJQDDT-UHFFFAOYSA-N 1 0 213.712 2.132 10 0 BEAERO CS[C@@H](C)CNc1[nH+]ccc(C)c1N ZINC000169040406 358014048 /nfs/dbraw/zinc/01/40/48/358014048.db2.gz ZOBIWPFKRPJPAG-QMMMGPOBSA-N 1 0 211.334 2.136 10 0 BEAERO NC(=O)CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037262067 358060461 /nfs/dbraw/zinc/06/04/61/358060461.db2.gz XGQLYAGSNGMFKB-KBPBESRZSA-N 1 0 246.354 2.178 10 0 BEAERO CC(C)NC(=O)CC[N@H+](C1CC1)C1CCCC1 ZINC000103466221 358061389 /nfs/dbraw/zinc/06/13/89/358061389.db2.gz DRYDFIMSPGKNCP-UHFFFAOYSA-N 1 0 238.375 2.308 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000392867395 259477635 /nfs/dbraw/zinc/47/76/35/259477635.db2.gz NTYQOZGBTLJTHR-QJPTWQEYSA-N 1 0 238.375 2.212 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(C)[C@H](C)C(C)(C)C ZINC000037807173 358086665 /nfs/dbraw/zinc/08/66/65/358086665.db2.gz RJIDIYXASWHFPH-ZJUUUORDSA-N 1 0 214.353 2.007 10 0 BEAERO CC(C)[C@H](C)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000134116584 325344389 /nfs/dbraw/zinc/34/43/89/325344389.db2.gz SQRZWHLZUREQIZ-JHJVBQTASA-N 1 0 224.392 2.493 10 0 BEAERO CC[C@H](C)N(C)Cc1nnc(C(C)C)n1C ZINC000170916249 134255481 /nfs/dbraw/zinc/25/54/81/134255481.db2.gz HHQUDQARPNVVSS-JTQLQIEISA-N 1 0 224.352 2.169 10 0 BEAERO CC(C)[C@@H](C)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640046030 358131013 /nfs/dbraw/zinc/13/10/13/358131013.db2.gz RGAYXYCUAXPPOJ-KXUCPTDWSA-N 1 0 239.281 2.134 10 0 BEAERO Cc1cc2c[nH+]cn2cc1Br ZINC000222345417 358158600 /nfs/dbraw/zinc/15/86/00/358158600.db2.gz LVVNOAQUIYUOMQ-UHFFFAOYSA-N 1 0 211.062 2.405 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1[C@H]1C=CCCC1 ZINC000172081250 134261181 /nfs/dbraw/zinc/26/11/81/134261181.db2.gz OFKOJOMDAJAPBW-HZSPNIEDSA-N 1 0 220.360 2.264 10 0 BEAERO COc1ccc2cccc3c2c1C[C@@H]([NH3+])C3 ZINC000039149682 358221399 /nfs/dbraw/zinc/22/13/99/358221399.db2.gz YYUGNDNEYIWPEY-NSHDSACASA-N 1 0 213.280 2.274 10 0 BEAERO C#[N+]c1cc(OC)c(OC)cc1C(C)=O ZINC000584612827 358276357 /nfs/dbraw/zinc/27/63/57/358276357.db2.gz LTXDRIDHTQNADP-UHFFFAOYSA-N 1 0 205.213 2.457 10 0 BEAERO NC(=[NH2+])c1cccc(CCc2ccccn2)c1 ZINC000584594888 358252017 /nfs/dbraw/zinc/25/20/17/358252017.db2.gz AOOZFVNSDNKCGN-UHFFFAOYSA-N 1 0 225.295 2.151 10 0 BEAERO C[C@@H]1OC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000584615225 358279879 /nfs/dbraw/zinc/27/98/79/358279879.db2.gz TYZIYEJBPXZPLX-HIFRSBDPSA-N 1 0 247.338 2.414 10 0 BEAERO C[N@@H+](Cc1ccc[nH]1)C[C@@H](O)c1ccccc1 ZINC000584596191 358253889 /nfs/dbraw/zinc/25/38/89/358253889.db2.gz ZPTSDXLQVUMSRU-CQSZACIVSA-N 1 0 230.311 2.180 10 0 BEAERO CO[C@@H]1O[C@H](C2([NH3+])CCCCC2)[C@@H]2C=CC=C[C@H]21 ZINC000584600668 358257711 /nfs/dbraw/zinc/25/77/11/358257711.db2.gz SVJLGVKANKFEGS-YIYPIFLZSA-N 1 0 249.354 2.378 10 0 BEAERO C[C@]12CC[NH2+][C@H]1CN(Cc1ccccc1)CC2 ZINC000584620266 358286728 /nfs/dbraw/zinc/28/67/28/358286728.db2.gz XSKJBOIQSNMOAW-LSDHHAIUSA-N 1 0 230.355 2.261 10 0 BEAERO C[C@H]1c2ccccc2C(C)(C)CN1C(=[NH2+])NO ZINC000584621873 358289489 /nfs/dbraw/zinc/28/94/89/358289489.db2.gz QWBOMVIWJACJHC-VIFPVBQESA-N 1 0 233.315 2.254 10 0 BEAERO C[NH+](C)[C@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000584625405 358294064 /nfs/dbraw/zinc/29/40/64/358294064.db2.gz OBINUSWGLHKRHV-ZIAGYGMSSA-N 1 0 219.328 2.338 10 0 BEAERO COCC[NH2+][C@@H](Cc1ccccc1)[C@@H]1CCCO1 ZINC000584625591 358294797 /nfs/dbraw/zinc/29/47/97/358294797.db2.gz SPMMAOBZCOERFP-GJZGRUSLSA-N 1 0 249.354 2.013 10 0 BEAERO COCC[NH2+][C@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000584625593 358294803 /nfs/dbraw/zinc/29/48/03/358294803.db2.gz SPMMAOBZCOERFP-HUUCEWRRSA-N 1 0 249.354 2.013 10 0 BEAERO C[C@H](O)c1ccc2c(c1)[C@@]1(C)CCN(C)[C@H]1N2C ZINC000584650767 358301598 /nfs/dbraw/zinc/30/15/98/358301598.db2.gz MKSOESVDRVQKQV-NZVBXONLSA-N 1 0 246.354 2.109 10 0 BEAERO CCO[C@@H](c1ccccc1OC)C1=[NH+]CCCN1 ZINC000584650931 358305713 /nfs/dbraw/zinc/30/57/13/358305713.db2.gz XIOIOLWSOFEWEH-ZDUSSCGKSA-N 1 0 248.326 2.165 10 0 BEAERO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)Cc1ccccc1 ZINC000584650807 358305822 /nfs/dbraw/zinc/30/58/22/358305822.db2.gz YXUHUEJBLNZKJC-CHWSQXEVSA-N 1 0 249.354 2.359 10 0 BEAERO CCCCC1(c2ccccc2)CN(CC[NH3+])C1 ZINC000584616580 358281570 /nfs/dbraw/zinc/28/15/70/358281570.db2.gz GPQRQLYHDKDJAM-UHFFFAOYSA-N 1 0 232.371 2.389 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nccc(C(F)(F)F)n1 ZINC000228270202 358372383 /nfs/dbraw/zinc/37/23/83/358372383.db2.gz GCPOLKVLQSUWMS-RQJHMYQMSA-N 1 0 248.252 2.033 10 0 BEAERO C[NH2+][C@H](C)C(=O)NC(C)(C)CCc1ccccc1 ZINC000229298228 358376634 /nfs/dbraw/zinc/37/66/34/358376634.db2.gz DBISUPGZBFFQMW-GFCCVEGCSA-N 1 0 248.370 2.122 10 0 BEAERO Cc1nccnc1[C@@H](C)[NH2+]CCC(F)(F)F ZINC000219177505 134274722 /nfs/dbraw/zinc/27/47/22/134274722.db2.gz BOCHWYAAIVOYQZ-SSDOTTSWSA-N 1 0 233.237 2.388 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229665068 358406126 /nfs/dbraw/zinc/40/61/26/358406126.db2.gz ACOFQETUSDSVSA-ZWNOBZJWSA-N 1 0 230.311 2.435 10 0 BEAERO Clc1cccnc1NCC1CC[NH2+]CC1 ZINC000044509218 358388746 /nfs/dbraw/zinc/38/87/46/358388746.db2.gz RNJIKXWGXQSOJF-UHFFFAOYSA-N 1 0 225.723 2.147 10 0 BEAERO CSCCn1cc2c(c1)[C@H]([NH3+])CCC2 ZINC000130145282 358442760 /nfs/dbraw/zinc/44/27/60/358442760.db2.gz OUBQSFQCXNXFCU-LLVKDONJSA-N 1 0 210.346 2.187 10 0 BEAERO C[C@@H](O)CCC[N@H+](C)Cc1ccc(F)cc1 ZINC000045620662 358564122 /nfs/dbraw/zinc/56/41/22/358564122.db2.gz GBXQVGJVWMURDN-LLVKDONJSA-N 1 0 225.307 2.419 10 0 BEAERO CC[C@@H]1CCCC[N@@H+]1CCC(=O)NC(C)C ZINC000046502135 358578439 /nfs/dbraw/zinc/57/84/39/358578439.db2.gz IZLGEJJHOZHILW-GFCCVEGCSA-N 1 0 226.364 2.166 10 0 BEAERO COc1c(C[NH2+]CC2(C3CC3)CC2)c(C)nn1C ZINC000130699364 358640404 /nfs/dbraw/zinc/64/04/04/358640404.db2.gz DPCNCFIWTKGUDF-UHFFFAOYSA-N 1 0 249.358 2.017 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CCC1)c1ccco1 ZINC000130988103 358655496 /nfs/dbraw/zinc/65/54/96/358655496.db2.gz IZZGGMTYBSPTDU-LLVKDONJSA-N 1 0 223.316 2.483 10 0 BEAERO CC[C@@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000131147729 358663212 /nfs/dbraw/zinc/66/32/12/358663212.db2.gz UFJZQXIIDIRUCI-SNVBAGLBSA-N 1 0 232.327 2.317 10 0 BEAERO CC[C@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000131147976 358663473 /nfs/dbraw/zinc/66/34/73/358663473.db2.gz UFJZQXIIDIRUCI-JTQLQIEISA-N 1 0 232.327 2.317 10 0 BEAERO COC(=O)c1coc(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000131277351 358667476 /nfs/dbraw/zinc/66/74/76/358667476.db2.gz QDIUKKIPIGMVOJ-GXSJLCMTSA-N 1 0 237.299 2.344 10 0 BEAERO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCCN(C)C1 ZINC000132514664 491136458 /nfs/dbraw/zinc/13/64/58/491136458.db2.gz FPMXKPVTZMJGGO-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO CCCCOCC[N@@H+]1CCC[C@H]1CCCO ZINC000052762394 358792743 /nfs/dbraw/zinc/79/27/43/358792743.db2.gz GNXAQSIQFNKDMR-ZDUSSCGKSA-N 1 0 229.364 2.040 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134597541 358797599 /nfs/dbraw/zinc/79/75/99/358797599.db2.gz YFCYUBHVFUSVPT-YYJSSNLHSA-N 1 0 227.348 2.100 10 0 BEAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COC(C)C ZINC000134730182 358803656 /nfs/dbraw/zinc/80/36/56/358803656.db2.gz GPDRKUHNDAHKBL-KGLIPLIRSA-N 1 0 243.391 2.427 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccco2)c1 ZINC000053534887 358834517 /nfs/dbraw/zinc/83/45/17/358834517.db2.gz HURWHHMIXGODGT-NSHDSACASA-N 1 0 219.288 2.135 10 0 BEAERO Cc1cnn(CC[NH2+][C@H](C)c2ccco2)c1 ZINC000053534892 358834684 /nfs/dbraw/zinc/83/46/84/358834684.db2.gz HURWHHMIXGODGT-LLVKDONJSA-N 1 0 219.288 2.135 10 0 BEAERO CC[C@@H]([NH2+]CC(C)(C)CO)C(C)(C)C ZINC000308570654 491137102 /nfs/dbraw/zinc/13/71/02/491137102.db2.gz BWYWIYAWYUJYKF-SNVBAGLBSA-N 1 0 201.354 2.419 10 0 BEAERO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000135753674 358848464 /nfs/dbraw/zinc/84/84/64/358848464.db2.gz UWLMNTYMGNRQBZ-UTUOFQBUSA-N 1 0 237.343 2.363 10 0 BEAERO CC(C)CC[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000177100440 134297261 /nfs/dbraw/zinc/29/72/61/134297261.db2.gz HTLYCVISIKSQSL-CYBMUJFWSA-N 1 0 221.348 2.394 10 0 BEAERO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC1CCCC1 ZINC000640222582 358903737 /nfs/dbraw/zinc/90/37/37/358903737.db2.gz QKKFCQJSYNAOOZ-YPMHNXCESA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Sc2ncc[nH]2)C1 ZINC000300341275 358967715 /nfs/dbraw/zinc/96/77/15/358967715.db2.gz TYNRQNVKWNGNTK-VGMNWLOBSA-N 1 0 211.334 2.018 10 0 BEAERO C[C@H]1SCC[C@]12[NH2+][C@H](C)CCS2 ZINC000300353918 358971998 /nfs/dbraw/zinc/97/19/98/358971998.db2.gz ZOCHYJOOHQLBNQ-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO C[NH2+][C@H]1COc2c1c(F)ccc2Cl ZINC000306167939 358975802 /nfs/dbraw/zinc/97/58/02/358975802.db2.gz IHGNOMFPTZIFPO-ZETCQYMHSA-N 1 0 201.628 2.132 10 0 BEAERO C1CN2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000061576228 358934929 /nfs/dbraw/zinc/93/49/29/358934929.db2.gz KANUHZYSSMSOHQ-UPJWGTAASA-N 1 0 240.416 2.098 10 0 BEAERO c1coc(C[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC000061669964 358936206 /nfs/dbraw/zinc/93/62/06/358936206.db2.gz PTGQGRYQPNLCAV-UHFFFAOYSA-N 1 0 227.267 2.446 10 0 BEAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CC1)CC2 ZINC000177312443 134299624 /nfs/dbraw/zinc/29/96/24/134299624.db2.gz YKRSYYPONLQIGP-CMPLNLGQSA-N 1 0 248.374 2.104 10 0 BEAERO COc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000070144435 359042803 /nfs/dbraw/zinc/04/28/03/359042803.db2.gz BMMSZCLDVYOWTL-CQSZACIVSA-N 1 0 249.354 2.432 10 0 BEAERO COc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000070144438 359043143 /nfs/dbraw/zinc/04/31/43/359043143.db2.gz BMMSZCLDVYOWTL-AWEZNQCLSA-N 1 0 249.354 2.432 10 0 BEAERO CC[C@@H]1CN(C/C(C)=C/Cl)CC[C@H]1[NH3+] ZINC000300400909 358989858 /nfs/dbraw/zinc/98/98/58/358989858.db2.gz DXTSYTWHGGURPP-WHTZOINASA-N 1 0 216.756 2.188 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccccc1N(C)C ZINC000072685987 359088207 /nfs/dbraw/zinc/08/82/07/359088207.db2.gz COQOVUBRTRVHQB-BETUJISGSA-N 1 0 248.370 2.362 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1cccc(C(F)(F)F)n1 ZINC000070447932 359056948 /nfs/dbraw/zinc/05/69/48/359056948.db2.gz UXOUGQLPFFYUSF-MRVPVSSYSA-N 1 0 247.264 2.496 10 0 BEAERO O[C@H](C[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000070880831 359065056 /nfs/dbraw/zinc/06/50/56/359065056.db2.gz XMWODYYXPUHJNA-UONOGXRCSA-N 1 0 217.312 2.034 10 0 BEAERO CCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246977131 359180214 /nfs/dbraw/zinc/18/02/14/359180214.db2.gz NZNLSCTXRXXHJB-CHWSQXEVSA-N 1 0 238.375 2.262 10 0 BEAERO COCCC[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000247041326 359190122 /nfs/dbraw/zinc/19/01/22/359190122.db2.gz LUCBQZHJZQQRRA-NILFDRSVSA-N 1 0 249.354 2.049 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2nccs2)C1 ZINC000247078339 359192262 /nfs/dbraw/zinc/19/22/62/359192262.db2.gz UBMZEMYVHZNBEY-GHMZBOCLSA-N 1 0 239.388 2.278 10 0 BEAERO CC(C)CCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247497961 359226331 /nfs/dbraw/zinc/22/63/31/359226331.db2.gz XJCIKKGYAVTUPL-QWHCGFSZSA-N 1 0 240.391 2.268 10 0 BEAERO COCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247570036 359234987 /nfs/dbraw/zinc/23/49/87/359234987.db2.gz RQRPFITWNQVDNJ-LSDHHAIUSA-N 1 0 249.354 2.221 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000247699329 359242331 /nfs/dbraw/zinc/24/23/31/359242331.db2.gz XKDGKNCRQYLFIJ-WDEREUQCSA-N 1 0 236.363 2.227 10 0 BEAERO CCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248087882 359253002 /nfs/dbraw/zinc/25/30/02/359253002.db2.gz SYDDIGFZSNQYMV-HIFRSBDPSA-N 1 0 246.354 2.348 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1[C@H]1C=CCCC1 ZINC000247313714 359211900 /nfs/dbraw/zinc/21/19/00/359211900.db2.gz OFKOJOMDAJAPBW-RDBSUJKOSA-N 1 0 220.360 2.264 10 0 BEAERO CC[N@@H+]1CC[C@@H](Nc2cccc(Cl)n2)C1 ZINC000306204273 359294344 /nfs/dbraw/zinc/29/43/44/359294344.db2.gz NDRHWMDDIBHLPN-SECBINFHSA-N 1 0 225.723 2.241 10 0 BEAERO CCc1nc(C[C@@]2(C)CCC[NH2+]2)cs1 ZINC000306211334 359305479 /nfs/dbraw/zinc/30/54/79/359305479.db2.gz UWYLORONDBEWES-LLVKDONJSA-N 1 0 210.346 2.390 10 0 BEAERO CCNC(=O)CC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000248338659 359265952 /nfs/dbraw/zinc/26/59/52/359265952.db2.gz HWWAAKFGFGQFDV-DOMZBBRYSA-N 1 0 246.354 2.206 10 0 BEAERO CC(C)NC(=[NH2+])[C@H]1SCCS[C@@H]1C ZINC000228187288 359359520 /nfs/dbraw/zinc/35/95/20/359359520.db2.gz QOGUZDWVPDCVDZ-SFYZADRCSA-N 1 0 218.391 2.199 10 0 BEAERO CCNc1nc(C)c(C[NH2+]C)cc1Cl ZINC000306229326 359360327 /nfs/dbraw/zinc/36/03/27/359360327.db2.gz IEYYCBVRPFQOFM-UHFFFAOYSA-N 1 0 213.712 2.195 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@@H]1c1ccsc1Cl ZINC000306222826 359345583 /nfs/dbraw/zinc/34/55/83/359345583.db2.gz KVKIXQIVRZNSLJ-IUCAKERBSA-N 1 0 230.764 2.496 10 0 BEAERO C[C@@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)[C@@H]1C ZINC000306243976 359427147 /nfs/dbraw/zinc/42/71/47/359427147.db2.gz USNZKVXMMSPNEO-JMSVASOKSA-N 1 0 243.354 2.232 10 0 BEAERO CO[C@@](C)(C[NH3+])c1c(F)cccc1Cl ZINC000306262772 359483129 /nfs/dbraw/zinc/48/31/29/359483129.db2.gz XUHLJASBGDMWTO-JTQLQIEISA-N 1 0 217.671 2.299 10 0 BEAERO FC(F)(F)[C@@H]1CCC[C@@H]1[NH2+]C1CSC1 ZINC000306268542 359490094 /nfs/dbraw/zinc/49/00/94/359490094.db2.gz KARHIILJFOJMIE-SFYZADRCSA-N 1 0 225.279 2.422 10 0 BEAERO Cc1ccc(N[C@H](C)CCCCO)cn1 ZINC000309005409 491142201 /nfs/dbraw/zinc/14/22/01/491142201.db2.gz PQHQPZUGBCGRAQ-LLVKDONJSA-N 1 0 208.305 2.353 10 0 BEAERO [NH3+][C@@H](c1ccsc1Cl)[C@H]1CCOC1 ZINC000306348018 359667592 /nfs/dbraw/zinc/66/75/92/359667592.db2.gz FYHDENZXAITUDF-POYBYMJQSA-N 1 0 217.721 2.438 10 0 BEAERO C[C@@H]1CSC[C@@]12[NH2+]C[C@@H](C)CS2 ZINC000306349154 359669949 /nfs/dbraw/zinc/66/99/49/359669949.db2.gz JFALHFAUEYJNTO-HLTSFMKQSA-N 1 0 203.376 2.038 10 0 BEAERO [NH3+]C1CC(O)(c2ccc(Cl)cc2Cl)C1 ZINC000306351296 359677717 /nfs/dbraw/zinc/67/77/17/359677717.db2.gz XHNLGUMGVKWCQZ-UHFFFAOYSA-N 1 0 232.110 2.302 10 0 BEAERO CCN1CCC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000309058390 491143589 /nfs/dbraw/zinc/14/35/89/491143589.db2.gz VMWJJFVWWZJFLU-LBPRGKRZSA-N 1 0 210.365 2.251 10 0 BEAERO CSC1([C@H]2[NH2+]C(C)(C)CS2)CC1 ZINC000306378269 359718028 /nfs/dbraw/zinc/71/80/28/359718028.db2.gz OQOCOPRYTDISCA-ZETCQYMHSA-N 1 0 203.376 2.323 10 0 BEAERO C[NH2+]C(C)(C)C(=O)c1ccc(F)cc1F ZINC000169184558 359699767 /nfs/dbraw/zinc/69/97/67/359699767.db2.gz XIXLLEKTRBYWDX-UHFFFAOYSA-N 1 0 213.227 2.146 10 0 BEAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000380171604 359751332 /nfs/dbraw/zinc/75/13/32/359751332.db2.gz HLSPRHVCMVZHFJ-GZMMTYOYSA-N 1 0 246.137 2.464 10 0 BEAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC000306385595 359737920 /nfs/dbraw/zinc/73/79/20/359737920.db2.gz BOASNCYSTOFEPG-MNOVXSKESA-N 1 0 225.332 2.060 10 0 BEAERO CC(C)C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)C2)C1 ZINC000306402780 359785791 /nfs/dbraw/zinc/78/57/91/359785791.db2.gz FCOHXUYMPCUMBX-RYUDHWBXSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H]1SCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000231347181 359859900 /nfs/dbraw/zinc/85/99/00/359859900.db2.gz ZLSMFWBLMSFGQS-IVZWLZJFSA-N 1 0 217.403 2.366 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1nc(C2CC2)ns1 ZINC000087780267 359927218 /nfs/dbraw/zinc/92/72/18/359927218.db2.gz HBTBSUDGTWETJF-SECBINFHSA-N 1 0 240.376 2.345 10 0 BEAERO C[C@@H]1CC(CC[N@H+](C)CCO)C[C@@H](C)C1 ZINC000089103536 359989999 /nfs/dbraw/zinc/98/99/99/359989999.db2.gz KUEFWZOXYFHSMS-RYUDHWBXSA-N 1 0 213.365 2.373 10 0 BEAERO CSC1([C@@H]2[NH2+]CC[C@H](C)S2)CC1 ZINC000306449735 360018709 /nfs/dbraw/zinc/01/87/09/360018709.db2.gz NIWLOMCLCKRVLG-JGVFFNPUSA-N 1 0 203.376 2.323 10 0 BEAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C1CCC1 ZINC000090227141 360067105 /nfs/dbraw/zinc/06/71/05/360067105.db2.gz KOJUOGQFIDNDLE-BXKDBHETSA-N 1 0 234.347 2.200 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nc(Cl)cs1 ZINC000306463957 360076188 /nfs/dbraw/zinc/07/61/88/360076188.db2.gz AAQIYTOZEUTTOO-RITPCOANSA-N 1 0 219.741 2.334 10 0 BEAERO CC(C)C[C@H]1CC[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000306478866 360117208 /nfs/dbraw/zinc/11/72/08/360117208.db2.gz CWSYROWYSFQCAM-VXGBXAGGSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H]1CC[N@H+](Cc2cc[nH]c2)C[C@@H]1n1ccnc1 ZINC000091960647 360138336 /nfs/dbraw/zinc/13/83/36/360138336.db2.gz NDKNSLMEBJESOY-OCCSQVGLSA-N 1 0 244.342 2.294 10 0 BEAERO COc1ccc([C@@H]2CC[NH2+]2)c(Br)c1 ZINC000306490213 360197410 /nfs/dbraw/zinc/19/74/10/360197410.db2.gz YIWCYEBVJTZMFA-JTQLQIEISA-N 1 0 242.116 2.492 10 0 BEAERO Cn1cccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092811010 360201696 /nfs/dbraw/zinc/20/16/96/360201696.db2.gz LNPCLNJJTJKCDX-UHFFFAOYSA-N 1 0 244.342 2.128 10 0 BEAERO CC[C@]1(c2cnc(OC)s2)CCC[NH2+]1 ZINC000306489446 360177979 /nfs/dbraw/zinc/17/79/79/360177979.db2.gz LLOMTJVCZQPMGO-SNVBAGLBSA-N 1 0 212.318 2.140 10 0 BEAERO Cc1ccc(C[NH+]2CCC(n3cncn3)CC2)o1 ZINC000092647730 360187753 /nfs/dbraw/zinc/18/77/53/360187753.db2.gz ODTYFEHTBSEONU-UHFFFAOYSA-N 1 0 246.314 2.017 10 0 BEAERO c1cc(C[NH+]2CCC(n3cncn3)CC2)cs1 ZINC000092648220 360187795 /nfs/dbraw/zinc/18/77/95/360187795.db2.gz JWRQQCBXMUWTMW-UHFFFAOYSA-N 1 0 248.355 2.177 10 0 BEAERO CC[C@@H](C)C[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000093066663 360213541 /nfs/dbraw/zinc/21/35/41/360213541.db2.gz IEOQKEFEHSHTPG-PWSUYJOCSA-N 1 0 221.348 2.142 10 0 BEAERO CC[C@H](C)C[NH2+][C@@H]1CCCn2c(C)nnc21 ZINC000093079926 360215022 /nfs/dbraw/zinc/21/50/22/360215022.db2.gz UIZSFFBQYPWYGA-GXSJLCMTSA-N 1 0 222.336 2.057 10 0 BEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H](C)CC ZINC000093081599 360215026 /nfs/dbraw/zinc/21/50/26/360215026.db2.gz FHTFJOLUDPLPGR-MNOVXSKESA-N 1 0 236.363 2.311 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309440414 491148224 /nfs/dbraw/zinc/14/82/24/491148224.db2.gz IIDFVMYKBQJBBO-BFHYXJOUSA-N 1 0 222.376 2.249 10 0 BEAERO COc1ccccc1C1CC([NH2+][C@@H]2CCOC2)C1 ZINC000095015667 360330551 /nfs/dbraw/zinc/33/05/51/360330551.db2.gz IITCJJBOYCDYPO-OTTFEQOBSA-N 1 0 247.338 2.320 10 0 BEAERO COc1ccccc1C1CC([NH2+][C@H]2CCOC2)C1 ZINC000095015668 360331524 /nfs/dbraw/zinc/33/15/24/360331524.db2.gz IITCJJBOYCDYPO-CPCZMJQVSA-N 1 0 247.338 2.320 10 0 BEAERO C[C@@]1(F)CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000306517431 360344788 /nfs/dbraw/zinc/34/47/88/360344788.db2.gz BBEGOAHSDRRLSR-NXEZZACHSA-N 1 0 203.326 2.316 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000094687861 360316167 /nfs/dbraw/zinc/31/61/67/360316167.db2.gz LVPCFCFYLOLTLQ-CYBMUJFWSA-N 1 0 235.327 2.129 10 0 BEAERO CCC[NH2+][C@@H](C)c1cn(C2CCCC2)nn1 ZINC000380974629 360325104 /nfs/dbraw/zinc/32/51/04/360325104.db2.gz BENFFGDALPZOAR-JTQLQIEISA-N 1 0 222.336 2.454 10 0 BEAERO Cc1cc(Cl)nc(Cl)c1NCC[NH3+] ZINC000306522720 360363634 /nfs/dbraw/zinc/36/36/34/360363634.db2.gz MDYDHOXQNCTAQM-UHFFFAOYSA-N 1 0 220.103 2.067 10 0 BEAERO CNc1cc(N[C@@H]2CCSC2)cc[nH+]1 ZINC000231446665 360385700 /nfs/dbraw/zinc/38/57/00/360385700.db2.gz MZZVGZPCYNAWRJ-SECBINFHSA-N 1 0 209.318 2.041 10 0 BEAERO C[C@@H]([NH3+])CC(=O)c1cc(F)c(F)c(F)c1 ZINC000306533731 360396081 /nfs/dbraw/zinc/39/60/81/360396081.db2.gz DDRHOMCYNUAHGR-RXMQYKEDSA-N 1 0 217.190 2.024 10 0 BEAERO CSC[C@@H]([NH3+])c1c(F)cccc1F ZINC000069759096 360396142 /nfs/dbraw/zinc/39/61/42/360396142.db2.gz JIAKRENVCJUWBZ-MRVPVSSYSA-N 1 0 203.257 2.328 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)CS1 ZINC000306565016 360443798 /nfs/dbraw/zinc/44/37/98/360443798.db2.gz FDWYDUQHIKXCQL-WTPMCQDGSA-N 1 0 209.358 2.435 10 0 BEAERO C[NH2+][C@@H]1CC[C@@H](c2cc(OC)ns2)C1 ZINC000306542062 360412450 /nfs/dbraw/zinc/41/24/50/360412450.db2.gz QKMQXRGWXVKNLT-HTQZYQBOSA-N 1 0 212.318 2.007 10 0 BEAERO CC[C@H]1CCO[C@@](C)(C(F)(F)F)C[NH2+]1 ZINC000306545217 360414200 /nfs/dbraw/zinc/41/42/00/360414200.db2.gz APQUCEDJHMIODC-JGVFFNPUSA-N 1 0 211.227 2.096 10 0 BEAERO FCCCNC1=[NH+][C@@H]2CCC[C@@H]2CS1 ZINC000306545834 360414736 /nfs/dbraw/zinc/41/47/36/360414736.db2.gz WDSIOFDOKRRNEU-RKDXNWHRSA-N 1 0 216.325 2.207 10 0 BEAERO [NH3+][C@H](C[C@H]1CCOC1)c1sccc1F ZINC000306586404 360484860 /nfs/dbraw/zinc/48/48/60/360484860.db2.gz RIFZWSMFKXXUSQ-VXNVDRBHSA-N 1 0 215.293 2.314 10 0 BEAERO [NH3+][C@H]1CCC[C@](F)(c2ccns2)C1 ZINC000306589361 360494301 /nfs/dbraw/zinc/49/43/01/360494301.db2.gz UGQAKBYXBIBTPW-IONNQARKSA-N 1 0 200.282 2.209 10 0 BEAERO O=C(C[C@@H]1CCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000300799188 360504213 /nfs/dbraw/zinc/50/42/13/360504213.db2.gz AFSNBGHHMXYAIC-DTWKUNHWSA-N 1 0 217.259 2.133 10 0 BEAERO O=C(C[C@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000300799186 360504344 /nfs/dbraw/zinc/50/43/44/360504344.db2.gz AFSNBGHHMXYAIC-BDAKNGLRSA-N 1 0 217.259 2.133 10 0 BEAERO [NH3+][C@H](C[C@@H]1CCCCO1)c1ccns1 ZINC000306592126 360509880 /nfs/dbraw/zinc/50/98/80/360509880.db2.gz WBXCFXLXNIPESB-DTWKUNHWSA-N 1 0 212.318 2.102 10 0 BEAERO CC[C@@H](OC)[C@H]1[NH2+]CCc2sccc21 ZINC000306592273 360510509 /nfs/dbraw/zinc/51/05/09/360510509.db2.gz ZLKNDBSXPACHHP-KOLCDFICSA-N 1 0 211.330 2.360 10 0 BEAERO [NH3+][C@H](CO)c1cc(Cl)sc1Cl ZINC000306598426 360518247 /nfs/dbraw/zinc/51/82/47/360518247.db2.gz XPKNIRMWWUDDGK-SCSAIBSYSA-N 1 0 212.101 2.047 10 0 BEAERO CC1(C)CCC[N@H+](C[C@H]2CCCC2=O)C1 ZINC000069793872 360556086 /nfs/dbraw/zinc/55/60/86/360556086.db2.gz HFTFEKQGLDDUPE-LLVKDONJSA-N 1 0 209.333 2.478 10 0 BEAERO NC(=O)c1cccc(C[NH2+]CCC2=CCCC2)c1 ZINC000120131778 181303093 /nfs/dbraw/zinc/30/30/93/181303093.db2.gz AKBHPYXHRSZQGY-UHFFFAOYSA-N 1 0 244.338 2.376 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@H]1CO)C1CCC(F)(F)CC1 ZINC000309530984 491150366 /nfs/dbraw/zinc/15/03/66/491150366.db2.gz DHJALEAYYWTRAT-INTQDDNPSA-N 1 0 233.302 2.171 10 0 BEAERO [NH3+][C@H]1CCC[S@@](=O)c2c(Cl)cccc21 ZINC000040973850 360982985 /nfs/dbraw/zinc/98/29/85/360982985.db2.gz BASJHFHBNVWQNC-XPTSAGLGSA-N 1 0 229.732 2.241 10 0 BEAERO C[C@@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000238429076 361032706 /nfs/dbraw/zinc/03/27/06/361032706.db2.gz UYSVOTZBHSZKEP-MRVPVSSYSA-N 1 0 237.303 2.448 10 0 BEAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2cc(C)ccn2)C1 ZINC000309668618 491154225 /nfs/dbraw/zinc/15/42/25/491154225.db2.gz VEPFCSGTWUEDRY-NWDGAFQWSA-N 1 0 219.332 2.142 10 0 BEAERO [NH3+][C@H](c1ccncc1Br)C1CC1 ZINC000238579151 361157390 /nfs/dbraw/zinc/15/73/90/361157390.db2.gz DKPRAOOBDMPVHP-VIFPVBQESA-N 1 0 227.105 2.254 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000306617401 361173444 /nfs/dbraw/zinc/17/34/44/361173444.db2.gz QOGZDRMAFHGVOT-RKDXNWHRSA-N 1 0 211.334 2.206 10 0 BEAERO CC1(C)CN([C@H](C[NH3+])c2cccs2)C1 ZINC000306621039 361230714 /nfs/dbraw/zinc/23/07/14/361230714.db2.gz YSZQRRACVBPHMT-SECBINFHSA-N 1 0 210.346 2.090 10 0 BEAERO [NH3+]C1(c2nc3c(s2)CCCC3)CCC1 ZINC000041060196 361240707 /nfs/dbraw/zinc/24/07/07/361240707.db2.gz AXNRNKMXJHAPBQ-UHFFFAOYSA-N 1 0 208.330 2.360 10 0 BEAERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(=O)n(C)c1 ZINC000065285846 361375127 /nfs/dbraw/zinc/37/51/27/361375127.db2.gz CIENDJZRYBZVIL-CYBMUJFWSA-N 1 0 234.343 2.150 10 0 BEAERO [NH3+]C1(c2cccc(Br)n2)CCC1 ZINC000083323835 181333961 /nfs/dbraw/zinc/33/39/61/181333961.db2.gz INABNGYGXWYYHU-UHFFFAOYSA-N 1 0 227.105 2.182 10 0 BEAERO [NH3+]C1(c2nc3cc[nH]cc-3n2)CCCCC1 ZINC000070801463 181335218 /nfs/dbraw/zinc/33/52/18/181335218.db2.gz WJFAEBLRJAFWKB-UHFFFAOYSA-N 1 0 216.288 2.076 10 0 BEAERO [NH3+]C1(c2cccc3c2OCC3)CCCC1 ZINC000082925820 181335647 /nfs/dbraw/zinc/33/56/47/181335647.db2.gz BGTLDXRIMPRIML-UHFFFAOYSA-N 1 0 203.285 2.350 10 0 BEAERO CCC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)OCC ZINC000629600798 361492121 /nfs/dbraw/zinc/49/21/21/361492121.db2.gz QXVLNRPQKSSDFC-RYUDHWBXSA-N 1 0 231.380 2.188 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000629618172 361512976 /nfs/dbraw/zinc/51/29/76/361512976.db2.gz JEOWQRXUJGMYAD-YNEHKIRRSA-N 1 0 223.360 2.460 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000629618170 361513012 /nfs/dbraw/zinc/51/30/12/361513012.db2.gz JEOWQRXUJGMYAD-JHJVBQTASA-N 1 0 223.360 2.460 10 0 BEAERO [NH3+]C1CCC(C(=O)Nc2ccccc2)CC1 ZINC000037481564 181339948 /nfs/dbraw/zinc/33/99/48/181339948.db2.gz JGXOPYGPFFPNKL-UHFFFAOYSA-N 1 0 218.300 2.143 10 0 BEAERO C[NH+](C)Cc1ccc(N)c(Br)c1 ZINC000070602350 361587863 /nfs/dbraw/zinc/58/78/63/361587863.db2.gz WGDLZFNHPLCVSU-UHFFFAOYSA-N 1 0 229.121 2.093 10 0 BEAERO C[C@@H](c1ccc(F)cc1Cl)N1CC[NH2+]CC1 ZINC000070602690 361588840 /nfs/dbraw/zinc/58/88/40/361588840.db2.gz XLGOXXKLIHSNSH-VIFPVBQESA-N 1 0 242.725 2.445 10 0 BEAERO Clc1cccnc1SC[C@H]1CC[NH2+]C1 ZINC000070615604 361631570 /nfs/dbraw/zinc/63/15/70/361631570.db2.gz OKDKLPJMZIHIRA-QMMMGPOBSA-N 1 0 228.748 2.437 10 0 BEAERO [NH3+]C1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000071521245 181342217 /nfs/dbraw/zinc/34/22/17/181342217.db2.gz YLNVNBXPIIWSEC-UHFFFAOYSA-N 1 0 219.284 2.400 10 0 BEAERO [NH3+]C1CCC(Oc2ncnc3ccsc32)CC1 ZINC000055143575 181342069 /nfs/dbraw/zinc/34/20/69/181342069.db2.gz FDDBMVVMJFWIBQ-UHFFFAOYSA-N 1 0 249.339 2.340 10 0 BEAERO CCc1ccc([C@@H]2OCC[C@H]2C[NH3+])s1 ZINC000070627228 361680432 /nfs/dbraw/zinc/68/04/32/361680432.db2.gz JUINODXZCFSOSX-GZMMTYOYSA-N 1 0 211.330 2.347 10 0 BEAERO Cc1ccc([C@@H]2OCCC[C@H]2C[NH3+])s1 ZINC000070627340 361680785 /nfs/dbraw/zinc/68/07/85/361680785.db2.gz FXOLENPHVMMRHK-GXSJLCMTSA-N 1 0 211.330 2.483 10 0 BEAERO Cc1nn([C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000070630573 361683112 /nfs/dbraw/zinc/68/31/12/361683112.db2.gz AYUNDOTZJDMOMC-SECBINFHSA-N 1 0 213.712 2.160 10 0 BEAERO CC(C)[C@H](C)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000134261422 491162612 /nfs/dbraw/zinc/16/26/12/491162612.db2.gz NRPLICZAAMGXOE-JTQLQIEISA-N 1 0 209.337 2.289 10 0 BEAERO CO[C@H]1C[N@H+](CC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630362194 364082539 /nfs/dbraw/zinc/08/25/39/364082539.db2.gz OILDAAOGDVYHMR-KGLIPLIRSA-N 1 0 240.391 2.005 10 0 BEAERO CCC[C@H](C)C(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725264598 541337459 /nfs/dbraw/zinc/33/74/59/541337459.db2.gz XQANPNOAEVXKPY-SGMGOOAPSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H](C(=O)NC[C@@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000725268991 541338590 /nfs/dbraw/zinc/33/85/90/541338590.db2.gz AYVUMRHHUXGHGB-NEPJUHHUSA-N 1 0 240.391 2.317 10 0 BEAERO Cc1cc(C(C)C)nc(N(C)CC(C)(C)[NH3+])n1 ZINC000630517686 364203563 /nfs/dbraw/zinc/20/35/63/364203563.db2.gz UZGGLVXDQQBKES-UHFFFAOYSA-N 1 0 236.363 2.082 10 0 BEAERO C[C@@H]1CC[C@H](Nc2nccc3occc32)C[NH2+]1 ZINC000630531598 364218379 /nfs/dbraw/zinc/21/83/79/364218379.db2.gz BRMLJHUMATWUTI-ZJUUUORDSA-N 1 0 231.299 2.380 10 0 BEAERO C[C@@H]1CC[C@@H](N=c2[nH]c3ccccc3s2)C[NH2+]1 ZINC000630532050 364220415 /nfs/dbraw/zinc/22/04/15/364220415.db2.gz FIXYRHREXIVSJA-NXEZZACHSA-N 1 0 247.367 2.271 10 0 BEAERO [NH3+][C@@H]1CCCCCN(c2ncccc2Cl)C1 ZINC000630548732 364245141 /nfs/dbraw/zinc/24/51/41/364245141.db2.gz DOLXZPUHNGFATL-SNVBAGLBSA-N 1 0 239.750 2.443 10 0 BEAERO Cc1ccnc(N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000630548753 364246472 /nfs/dbraw/zinc/24/64/72/364246472.db2.gz FGNNQHQVUIEFEI-GFCCVEGCSA-N 1 0 219.332 2.098 10 0 BEAERO C[C@H]1CN(c2nccc3ccccc32)C[C@H]1C[NH3+] ZINC000630554559 364250313 /nfs/dbraw/zinc/25/03/13/364250313.db2.gz QJERJEYWHMVQFK-WCQYABFASA-N 1 0 241.338 2.266 10 0 BEAERO [NH3+]CC1(C(=O)NCC2CCCCC2)CCCC1 ZINC000044762573 181359270 /nfs/dbraw/zinc/35/92/70/181359270.db2.gz ZOIRBPCPFRWVQP-UHFFFAOYSA-N 1 0 238.375 2.202 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(Cl)cn2)CC1 ZINC000630556556 364256874 /nfs/dbraw/zinc/25/68/74/364256874.db2.gz ICWMVZANTLQUOJ-CZMCAQCFSA-N 1 0 240.738 2.059 10 0 BEAERO COc1cccnc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000630559289 364260418 /nfs/dbraw/zinc/26/04/18/364260418.db2.gz XKHLTYXXUDNITL-XYPYZODXSA-N 1 0 235.331 2.020 10 0 BEAERO [NH3+]CC1(NCc2ccccc2)CCCC1 ZINC000075605220 181359998 /nfs/dbraw/zinc/35/99/98/181359998.db2.gz ATSPLZSVDDOQEE-UHFFFAOYSA-N 1 0 204.317 2.048 10 0 BEAERO C[C@H]1CN(c2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000630574994 364272938 /nfs/dbraw/zinc/27/29/38/364272938.db2.gz WJHDHGKKPOJWPU-VHSXEESVSA-N 1 0 247.367 2.327 10 0 BEAERO C[C@@H]1CN(c2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000630574995 364273722 /nfs/dbraw/zinc/27/37/22/364273722.db2.gz WJHDHGKKPOJWPU-ZJUUUORDSA-N 1 0 247.367 2.327 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ncccc2Cl)C[NH2+]1 ZINC000630533802 364226350 /nfs/dbraw/zinc/22/63/50/364226350.db2.gz FRNKEWJRYAENQL-RKDXNWHRSA-N 1 0 225.723 2.287 10 0 BEAERO [NH3+]CC1(N2CCc3ccccc32)CCSCC1 ZINC000042334928 181360437 /nfs/dbraw/zinc/36/04/37/181360437.db2.gz HPKPXJSJZJQWBB-UHFFFAOYSA-N 1 0 248.395 2.274 10 0 BEAERO [NH3+]C1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000037623170 364339374 /nfs/dbraw/zinc/33/93/74/364339374.db2.gz MRPFGIJCQZNERJ-UHFFFAOYSA-N 1 0 244.338 2.093 10 0 BEAERO [NH3+]CC1(OCC2CCOCC2)CCCCCC1 ZINC000052150960 181361467 /nfs/dbraw/zinc/36/14/67/181361467.db2.gz LBTRRKXQNGKYID-UHFFFAOYSA-N 1 0 241.375 2.481 10 0 BEAERO CC[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000037626425 364354498 /nfs/dbraw/zinc/35/44/98/364354498.db2.gz KAAHEGVTRMXUAR-PNESKVBLSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@H](CC[NH3+])Nc1nc2ccccc2s1 ZINC000134272875 364397101 /nfs/dbraw/zinc/39/71/01/364397101.db2.gz GSPWOSNHNXSCGY-MRVPVSSYSA-N 1 0 221.329 2.446 10 0 BEAERO [NH3+]CC1(c2nc3ccccc3o2)CCC1 ZINC000082913716 181363771 /nfs/dbraw/zinc/36/37/71/181363771.db2.gz WOZANVKSVBUQNC-UHFFFAOYSA-N 1 0 202.257 2.208 10 0 BEAERO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)C(F)(F)F ZINC000136404445 364470103 /nfs/dbraw/zinc/47/01/03/364470103.db2.gz GANJIOAVRHWMLC-YIZRAAEISA-N 1 0 225.254 2.173 10 0 BEAERO CC(C)C[C@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868573 364546851 /nfs/dbraw/zinc/54/68/51/364546851.db2.gz DJFDXFVSDUOVMQ-STQMWFEESA-N 1 0 240.391 2.221 10 0 BEAERO COC(=O)C[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000037742818 364574293 /nfs/dbraw/zinc/57/42/93/364574293.db2.gz UQFMSNLYKARJDH-LBPRGKRZSA-N 1 0 237.299 2.037 10 0 BEAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(C)(C)C ZINC000252662459 364749684 /nfs/dbraw/zinc/74/96/84/364749684.db2.gz ZIGMPHJZDMKLLL-NEPJUHHUSA-N 1 0 238.375 2.118 10 0 BEAERO [NH3+]CCC(=O)c1sccc1Br ZINC000083333445 181370081 /nfs/dbraw/zinc/37/00/81/181370081.db2.gz INMGFJJSNTXFES-UHFFFAOYSA-N 1 0 234.118 2.042 10 0 BEAERO [NH3+]CCCN(C(=O)C1CCCC1)C1CCCC1 ZINC000036731491 181379176 /nfs/dbraw/zinc/37/91/76/181379176.db2.gz YKMAPQUEMKTFQO-UHFFFAOYSA-N 1 0 238.375 2.297 10 0 BEAERO CC1(C)CC=C([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675053886 541433324 /nfs/dbraw/zinc/43/33/24/541433324.db2.gz QUGQWPYASZDBQW-JTQLQIEISA-N 1 0 237.265 2.375 10 0 BEAERO [NH3+]CCCNc1ccc(O)c2ccccc12 ZINC000045299696 181383332 /nfs/dbraw/zinc/38/33/32/181383332.db2.gz UHSLWEGBEHZJCZ-UHFFFAOYSA-N 1 0 216.284 2.306 10 0 BEAERO [NH3+]CCC[S@@](=O)c1ccc2ccccc2c1 ZINC000040954916 181385518 /nfs/dbraw/zinc/38/55/18/181385518.db2.gz MBXKDUVJFMSPFQ-INIZCTEOSA-N 1 0 233.336 2.296 10 0 BEAERO [NH3+]CCCc1c(F)c(F)cc(F)c1F ZINC000044279727 181385979 /nfs/dbraw/zinc/38/59/79/181385979.db2.gz UVJGERDVDDJWKN-UHFFFAOYSA-N 1 0 207.170 2.134 10 0 BEAERO [NH3+]CCCc1nnc(-c2cccs2)s1 ZINC000040541860 181388295 /nfs/dbraw/zinc/38/82/95/181388295.db2.gz UTODXWJTBIXRNU-UHFFFAOYSA-N 1 0 225.342 2.158 10 0 BEAERO [NH3+]CCCc1nnc(-c2cccc(Cl)c2)o1 ZINC000011585926 181388515 /nfs/dbraw/zinc/38/85/15/181388515.db2.gz NFGNCIUDPZRPDH-UHFFFAOYSA-N 1 0 237.690 2.281 10 0 BEAERO [NH3+]CCN(Cc1cccs1)Cc1ccncc1 ZINC000076632851 181390743 /nfs/dbraw/zinc/39/07/43/181390743.db2.gz QZFINXMXUQPCKV-UHFFFAOYSA-N 1 0 247.367 2.104 10 0 BEAERO [NH3+]CCNCc1ccc(-c2ccccc2)cc1 ZINC000037712277 181398006 /nfs/dbraw/zinc/39/80/06/181398006.db2.gz XLTUBFXONWSWHC-UHFFFAOYSA-N 1 0 226.323 2.402 10 0 BEAERO [NH3+]CCNc1ccc(Cl)cc1Cl ZINC000019732759 181398501 /nfs/dbraw/zinc/39/85/01/181398501.db2.gz OJEHEIJJPOXPAP-UHFFFAOYSA-N 1 0 205.088 2.364 10 0 BEAERO [NH3+]CCOCc1ccc(OC2CCCC2)cc1 ZINC000077371331 181399226 /nfs/dbraw/zinc/39/92/26/181399226.db2.gz OBIVBWMBSTXBHM-UHFFFAOYSA-N 1 0 235.327 2.483 10 0 BEAERO [NH3+]CCOCCSc1cccc(Cl)c1 ZINC000057519986 181399608 /nfs/dbraw/zinc/39/96/08/181399608.db2.gz PCFNTKQLSAJHJC-UHFFFAOYSA-N 1 0 231.748 2.407 10 0 BEAERO [NH3+]CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000036897206 181411798 /nfs/dbraw/zinc/41/17/98/181411798.db2.gz IEAKSVLLBIFXJB-UHFFFAOYSA-N 1 0 227.691 2.003 10 0 BEAERO [NH3+]CCc1cccn1Cc1ccccc1F ZINC000071520544 181412785 /nfs/dbraw/zinc/41/27/85/181412785.db2.gz OSMWIYQVDATEKI-UHFFFAOYSA-N 1 0 218.275 2.177 10 0 BEAERO [NH3+]CCc1nccc(-c2ccc(Cl)cc2)n1 ZINC000082547287 181413959 /nfs/dbraw/zinc/41/39/59/181413959.db2.gz WGKWWKWGLKBSGE-UHFFFAOYSA-N 1 0 233.702 2.298 10 0 BEAERO [NH3+]C[C@@H](Oc1ccc(F)c(F)c1)C(F)(F)F ZINC000037170196 181423501 /nfs/dbraw/zinc/42/35/01/181423501.db2.gz AJEAUXZGUVTDOO-MRVPVSSYSA-N 1 0 241.159 2.233 10 0 BEAERO CCc1csc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000335658606 365297058 /nfs/dbraw/zinc/29/70/58/365297058.db2.gz VFOMACIVDQIIDY-PSASIEDQSA-N 1 0 225.361 2.115 10 0 BEAERO Cc1cc2c(cc1C)OC[C@H]([C@H](C)[NH3+])C2 ZINC000675063941 541465492 /nfs/dbraw/zinc/46/54/92/541465492.db2.gz UPDFUCRMOYYHAF-CMPLNLGQSA-N 1 0 205.301 2.202 10 0 BEAERO COc1ccccc1[C@]12C[C@H](CC1)[C@@H]2[NH3+] ZINC000675080371 541468331 /nfs/dbraw/zinc/46/83/31/541468331.db2.gz CQQVPWLDLRSQDX-TVYUQYBPSA-N 1 0 203.285 2.074 10 0 BEAERO Clc1ccc([C@]23CC[C@H]2CC[NH2+]3)cn1 ZINC000685947548 541496626 /nfs/dbraw/zinc/49/66/26/541496626.db2.gz PCGIOTZOWNWJCE-KWQFWETISA-N 1 0 208.692 2.334 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(C(C)C)n1C ZINC000183054756 366970647 /nfs/dbraw/zinc/97/06/47/366970647.db2.gz OUPKIYNUZZPZLC-QWRGUYRKSA-N 1 0 238.379 2.463 10 0 BEAERO CCC(C)(C)[NH2+]Cc1cnc2ccnn2c1 ZINC000381744354 367453417 /nfs/dbraw/zinc/45/34/17/367453417.db2.gz PSCFOGSSYUEHMH-UHFFFAOYSA-N 1 0 218.304 2.008 10 0 BEAERO CCc1csc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382449412 367525788 /nfs/dbraw/zinc/52/57/88/367525788.db2.gz CXWHLBGQMYYPTO-WPRPVWTQSA-N 1 0 225.361 2.245 10 0 BEAERO CCc1csc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382449406 367525971 /nfs/dbraw/zinc/52/59/71/367525971.db2.gz CXWHLBGQMYYPTO-PSASIEDQSA-N 1 0 225.361 2.245 10 0 BEAERO CCc1csc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382449409 367526232 /nfs/dbraw/zinc/52/62/32/367526232.db2.gz CXWHLBGQMYYPTO-SCZZXKLOSA-N 1 0 225.361 2.245 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](Nc2nccc3occc32)C1 ZINC000382477435 367529041 /nfs/dbraw/zinc/52/90/41/367529041.db2.gz UJPHRAJKYKTKDE-ZJUUUORDSA-N 1 0 231.299 2.367 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000382480155 367529090 /nfs/dbraw/zinc/52/90/90/367529090.db2.gz WFDMVUMEPOLADR-GHMZBOCLSA-N 1 0 242.326 2.169 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000382480561 367529815 /nfs/dbraw/zinc/52/98/15/367529815.db2.gz WFDMVUMEPOLADR-WDEREUQCSA-N 1 0 242.326 2.169 10 0 BEAERO CC(C)c1cc(N[C@H]2CC[C@@H](C[NH3+])C2)ncn1 ZINC000382488116 367530460 /nfs/dbraw/zinc/53/04/60/367530460.db2.gz HGDNSQBAIPIMGT-MNOVXSKESA-N 1 0 234.347 2.139 10 0 BEAERO COC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000382546544 367535667 /nfs/dbraw/zinc/53/56/67/367535667.db2.gz DGOIGHZDNJMVSW-MBNYWOFBSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)(C)c1ccnc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382431107 367522703 /nfs/dbraw/zinc/52/27/03/367522703.db2.gz QTXZVEXEJVTWFP-WDEREUQCSA-N 1 0 248.374 2.313 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000581595160 367622048 /nfs/dbraw/zinc/62/20/48/367622048.db2.gz SDBAULYHZFCJTH-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCC1CCCC1 ZINC000384850255 367742803 /nfs/dbraw/zinc/74/28/03/367742803.db2.gz KUEAYVNWLNCQCV-WCQYABFASA-N 1 0 211.349 2.412 10 0 BEAERO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385107649 367792307 /nfs/dbraw/zinc/79/23/07/367792307.db2.gz CJWNWCGHJUHALP-SMDDNHRTSA-N 1 0 237.318 2.479 10 0 BEAERO CC1CCC(CN2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000385385927 367824875 /nfs/dbraw/zinc/82/48/75/367824875.db2.gz QGFCMGLVJKALEH-PQAZSJQKSA-N 1 0 222.376 2.106 10 0 BEAERO Cc1cnc(N[C@@H](C)CCCC[NH3+])nc1C ZINC000386486108 367980529 /nfs/dbraw/zinc/98/05/29/367980529.db2.gz RHXJPDWZHJXNKI-JTQLQIEISA-N 1 0 222.336 2.023 10 0 BEAERO Cc1cnc(N[C@H](C)CCCC[NH3+])nc1C ZINC000386486109 367980816 /nfs/dbraw/zinc/98/08/16/367980816.db2.gz RHXJPDWZHJXNKI-SNVBAGLBSA-N 1 0 222.336 2.023 10 0 BEAERO CC(C)[C@H]1CC[N@H+](C[C@H]2CCCC2=O)C1 ZINC000252850255 368163154 /nfs/dbraw/zinc/16/31/54/368163154.db2.gz HNBLJIWPRKSHQA-NWDGAFQWSA-N 1 0 209.333 2.334 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000399512321 368170547 /nfs/dbraw/zinc/17/05/47/368170547.db2.gz LUJJCIBBFTXKJK-QWRGUYRKSA-N 1 0 228.380 2.254 10 0 BEAERO C[C@@H]1C[C@@H]1CNC1=[NH+][C@H](C)[C@@H](C)CS1 ZINC000252969713 368173628 /nfs/dbraw/zinc/17/36/28/368173628.db2.gz ZHEJXNPEGRNKLF-UTINFBMNSA-N 1 0 212.362 2.359 10 0 BEAERO CCOC(CC(=[NH2+])c1ccncc1)OCC ZINC000224947109 368368336 /nfs/dbraw/zinc/36/83/36/368368336.db2.gz OVNIIHHHUWQHRZ-UHFFFAOYSA-N 1 0 222.288 2.239 10 0 BEAERO CCCO[C@@H]1C[NH2+]C[C@H](COc2ccccc2)C1 ZINC000038476227 368326899 /nfs/dbraw/zinc/32/68/99/368326899.db2.gz MMWLQSMGSKLFKO-HIFRSBDPSA-N 1 0 249.354 2.470 10 0 BEAERO CCCC[NH2+][C@H](Cc1ccccc1)NC(C)=O ZINC000048564399 368379257 /nfs/dbraw/zinc/37/92/57/368379257.db2.gz LQYLBYHPYXOACN-AWEZNQCLSA-N 1 0 234.343 2.081 10 0 BEAERO C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1[NH3+] ZINC000101417851 368383591 /nfs/dbraw/zinc/38/35/91/368383591.db2.gz JZDOXTQRTHHGOG-YRGRVCCFSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@@H]1[C@H](C)SCC[N@H+]1[C@H]1CCCCC1=O ZINC000253069229 368444765 /nfs/dbraw/zinc/44/47/65/368444765.db2.gz LLLIYYDNPXRMSY-VWYCJHECSA-N 1 0 227.373 2.324 10 0 BEAERO CC(C)(C)OC(=O)N[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000105641727 368451867 /nfs/dbraw/zinc/45/18/67/368451867.db2.gz COJNHDCEWDUHMX-ZWNOBZJWSA-N 1 0 240.347 2.043 10 0 BEAERO COC(=O)[C@H](CC(C)C)[NH+]1CCCCC1 ZINC000059184664 368529942 /nfs/dbraw/zinc/52/99/42/368529942.db2.gz KHDRCDGTSVIVBG-NSHDSACASA-N 1 0 213.321 2.060 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000253167428 368581735 /nfs/dbraw/zinc/58/17/35/368581735.db2.gz WPLCBYYLSBLOPJ-RHYQMDGZSA-N 1 0 209.333 2.237 10 0 BEAERO CC(C)(C)OCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000065953795 368636448 /nfs/dbraw/zinc/63/64/48/368636448.db2.gz ZELAOBODSVZMGS-CHWSQXEVSA-N 1 0 241.375 2.445 10 0 BEAERO CCO[C@H](C1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000002010282 368734932 /nfs/dbraw/zinc/73/49/32/368734932.db2.gz QQBOGZMGQOAYOZ-JQWIXIFHSA-N 1 0 218.300 2.154 10 0 BEAERO C[NH2+][C@@H](Cc1cccc(C)c1)[C@@H]1CCCO1 ZINC000083713262 368807692 /nfs/dbraw/zinc/80/76/92/368807692.db2.gz VILPWTPEIBBXHY-KBPBESRZSA-N 1 0 219.328 2.305 10 0 BEAERO Fc1ccc(-c2ccn3c2C[NH2+]CC3)cc1 ZINC000083990899 368846208 /nfs/dbraw/zinc/84/62/08/368846208.db2.gz CFAMYWHCKWTKRP-UHFFFAOYSA-N 1 0 216.259 2.397 10 0 BEAERO COc1ccc(C(C)(C)[C@H](C)[NH3+])cc1OC ZINC000084422368 368855217 /nfs/dbraw/zinc/85/52/17/368855217.db2.gz LNOSRCMEHCUZEK-VIFPVBQESA-N 1 0 223.316 2.329 10 0 BEAERO C[NH+](C)C1([C@@H](N)Cc2ccccc2)CCCC1 ZINC000085751834 368869424 /nfs/dbraw/zinc/86/94/24/368869424.db2.gz KWOCLTDDNGSGQU-AWEZNQCLSA-N 1 0 232.371 2.431 10 0 BEAERO CCC(CC)(CC)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000086643100 368882766 /nfs/dbraw/zinc/88/27/66/368882766.db2.gz ZKHCOCJKQAGMIP-LBPRGKRZSA-N 1 0 240.391 2.461 10 0 BEAERO CCc1nsc(NCc2ccc(C[NH3+])cc2)n1 ZINC000087639653 368895864 /nfs/dbraw/zinc/89/58/64/368895864.db2.gz XWZVPONVFPIZDI-UHFFFAOYSA-N 1 0 248.355 2.171 10 0 BEAERO C[C@@H]([NH2+]CC(=O)NC1CCCCC1)C(C)(C)C ZINC000114475499 368942398 /nfs/dbraw/zinc/94/23/98/368942398.db2.gz CADBXYLRAUWXFD-LLVKDONJSA-N 1 0 240.391 2.460 10 0 BEAERO CCOC(=O)CCC[NH2+][C@H](C)C(C)(C)C ZINC000114475246 368942685 /nfs/dbraw/zinc/94/26/85/368942685.db2.gz NFXRZDOQYJPUJC-SNVBAGLBSA-N 1 0 215.337 2.354 10 0 BEAERO [NH3+][C@@H]1COc2cccc(-c3ccccn3)c2C1 ZINC000114690767 368946855 /nfs/dbraw/zinc/94/68/55/368946855.db2.gz NSQJZCPFHRKKHN-JTQLQIEISA-N 1 0 226.279 2.011 10 0 BEAERO [NH3+]C[C@H](OC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000042916514 181452935 /nfs/dbraw/zinc/45/29/35/181452935.db2.gz XYMCJWDTDDNSFM-STQMWFEESA-N 1 0 239.290 2.021 10 0 BEAERO Cc1cc(CN[C@H](CC(C)C)C[NH+](C)C)no1 ZINC000459418328 203278664 /nfs/dbraw/zinc/27/86/64/203278664.db2.gz ZVSLDOQMWVPHRT-CYBMUJFWSA-N 1 0 239.363 2.049 10 0 BEAERO C[C@@H]1C[C@](O)(c2cccs2)CC[N@@H+]1C ZINC000107151963 369310679 /nfs/dbraw/zinc/31/06/79/369310679.db2.gz XBHAEMOWEVBSCR-KOLCDFICSA-N 1 0 211.330 2.050 10 0 BEAERO [NH3+]Cc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000019865593 181485557 /nfs/dbraw/zinc/48/55/57/181485557.db2.gz YKDFYVSLDJNVLJ-ZDUSSCGKSA-N 1 0 221.300 2.093 10 0 BEAERO [NH3+]Cc1cnc2c(Br)cccc2c1 ZINC000062618307 181493535 /nfs/dbraw/zinc/49/35/35/181493535.db2.gz ZKEFOJVZMODIEB-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO [NH3+]Cc1cnc(C(F)(F)F)cc1Cl ZINC000095768371 181494199 /nfs/dbraw/zinc/49/41/99/181494199.db2.gz FKQCHXWHGJGGKO-UHFFFAOYSA-N 1 0 210.586 2.213 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2CO)ccn1 ZINC000621277522 370209509 /nfs/dbraw/zinc/20/95/09/370209509.db2.gz MRCZGUGDKPRMER-KBPBESRZSA-N 1 0 234.343 2.031 10 0 BEAERO C[C@H]([NH2+]Cc1cncc(Cl)c1)[C@H]1CCCO1 ZINC000621277314 370207670 /nfs/dbraw/zinc/20/76/70/370207670.db2.gz GWBHHIPNVUBFAQ-JOYOIKCWSA-N 1 0 240.734 2.392 10 0 BEAERO C[C@H]1CCN[C@@H](c2cncs2)S1 ZINC000161613804 370604544 /nfs/dbraw/zinc/60/45/44/370604544.db2.gz OEFJLVYJDDFLFL-POYBYMJQSA-N 1 0 200.332 2.257 10 0 BEAERO CC[C@H]1CS[C@H](c2cncs2)N1 ZINC000161614549 370605501 /nfs/dbraw/zinc/60/55/01/370605501.db2.gz VQOAMOSKTXZFTK-POYBYMJQSA-N 1 0 200.332 2.257 10 0 BEAERO CC(C)(C)CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000313247806 370574219 /nfs/dbraw/zinc/57/42/19/370574219.db2.gz UAMLFBMXGVFLLZ-NWDGAFQWSA-N 1 0 240.391 2.446 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)[C@H]1CCCCO1 ZINC000623896900 371145094 /nfs/dbraw/zinc/14/50/94/371145094.db2.gz BSLNVRSYVOYJTD-IGQOVBAYSA-N 1 0 241.375 2.085 10 0 BEAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000048627491 181554230 /nfs/dbraw/zinc/55/42/30/181554230.db2.gz QPVDRRGTXKCDKF-UFBFGSQYSA-N 1 0 243.709 2.385 10 0 BEAERO [NH3+][C@@H](Cc1cncs1)c1ccccc1 ZINC000054788501 181558563 /nfs/dbraw/zinc/55/85/63/181558563.db2.gz VFQMZTGRZHMFOK-NSHDSACASA-N 1 0 204.298 2.386 10 0 BEAERO [NH3+][C@@H]1CCCCC[C@H]1NC(=O)CC1CCCC1 ZINC000063212123 181573277 /nfs/dbraw/zinc/57/32/77/181573277.db2.gz CNJIAPFUHMMUHE-CHWSQXEVSA-N 1 0 238.375 2.343 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CCCCCC1 ZINC000055086858 181574652 /nfs/dbraw/zinc/57/46/52/181574652.db2.gz OZTSBNTXAQKWBL-CHWSQXEVSA-N 1 0 238.375 2.343 10 0 BEAERO [NH3+][C@@H]1CCC[C@H](c2nncn2C2CCCC2)C1 ZINC000070570267 181584403 /nfs/dbraw/zinc/58/44/03/181584403.db2.gz SOYXDJMJDRFWBF-WDEREUQCSA-N 1 0 234.347 2.378 10 0 BEAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1 ZINC000082360261 181590283 /nfs/dbraw/zinc/59/02/83/181590283.db2.gz YESKNPSBHPOEBT-CMPLNLGQSA-N 1 0 225.719 2.246 10 0 BEAERO [NH3+][C@@H]1CCSc2cc(F)c(F)cc21 ZINC000037380949 181590705 /nfs/dbraw/zinc/59/07/05/181590705.db2.gz OQZFEEAOFHNPES-MRVPVSSYSA-N 1 0 201.241 2.460 10 0 BEAERO [NH3+][C@H](Cc1cccc(F)c1)c1ccccn1 ZINC000037466350 181625548 /nfs/dbraw/zinc/62/55/48/181625548.db2.gz CHIQXUWVIFUMNG-GFCCVEGCSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@H]1CC=CC[C@H]1c1ccc2c(c1)OCO2 ZINC000001711674 181638970 /nfs/dbraw/zinc/63/89/70/181638970.db2.gz ZYDHIKVFSMROBY-QWRGUYRKSA-N 1 0 217.268 2.176 10 0 BEAERO [NH3+][C@H]1CCCCC[C@@H]1OCC1CCOCC1 ZINC000052150611 181639563 /nfs/dbraw/zinc/63/95/63/181639563.db2.gz BIYWWBADZCFQRT-STQMWFEESA-N 1 0 227.348 2.090 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)CCc1ccccc1 ZINC000038049272 181642758 /nfs/dbraw/zinc/64/27/58/181642758.db2.gz ZSNWEQAFYIAMCK-UONOGXRCSA-N 1 0 246.354 2.005 10 0 BEAERO [NH3+][C@H]1CCC[C@H](C(=O)NCC2CCCCC2)C1 ZINC000055087232 181647389 /nfs/dbraw/zinc/64/73/89/181647389.db2.gz FWJDSGYQAKEHTF-STQMWFEESA-N 1 0 238.375 2.200 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1Oc1ccc(F)cc1F ZINC000023069965 181647572 /nfs/dbraw/zinc/64/75/72/181647572.db2.gz KLHRPZLLECDYFE-ONGXEEELSA-N 1 0 213.227 2.223 10 0 BEAERO Nc1cc(F)ccc1S[C@H]1CCC[NH2+]C1 ZINC000043501740 181688176 /nfs/dbraw/zinc/68/81/76/181688176.db2.gz CQLKSSWKIBKCHV-VIFPVBQESA-N 1 0 226.320 2.252 10 0 BEAERO CC(C)(C)[C@H]1[NH2+][C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000021297873 371386560 /nfs/dbraw/zinc/38/65/60/371386560.db2.gz QEVWIWYBRGIBPE-BJDJZHNGSA-N 1 0 238.375 2.055 10 0 BEAERO Nc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1F ZINC000063011526 181706671 /nfs/dbraw/zinc/70/66/71/181706671.db2.gz KFYRHEIEQYLGLK-LLVKDONJSA-N 1 0 238.306 2.067 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(C)cc1 ZINC000624235014 371423005 /nfs/dbraw/zinc/42/30/05/371423005.db2.gz BMZIGUBQVXZCTA-KKUMJFAQSA-N 1 0 249.354 2.186 10 0 BEAERO Nc1c[nH+]ccc1N1CCC[C@@H]1c1cccnc1 ZINC000036132061 181769301 /nfs/dbraw/zinc/76/93/01/181769301.db2.gz HEMHCSHJDYNEOC-CYBMUJFWSA-N 1 0 240.310 2.400 10 0 BEAERO C[C@H]1Oc2c(c(Br)ccc2F)[C@@H]1[NH3+] ZINC000126647965 371541414 /nfs/dbraw/zinc/54/14/14/371541414.db2.gz QJQBPIKIGUJIRZ-SPGJFGJESA-N 1 0 246.079 2.369 10 0 BEAERO CC(C)[C@H]1C[NH2+]CC[C@@H]1c1cncs1 ZINC000161793664 371565938 /nfs/dbraw/zinc/56/59/38/371565938.db2.gz CAXDZBGKRWANRP-VHSXEESVSA-N 1 0 210.346 2.492 10 0 BEAERO Cc1ccc(COC[C@@H]2CCC[NH2+]2)cc1 ZINC000028521833 371610029 /nfs/dbraw/zinc/61/00/29/371610029.db2.gz CMEPFQSVHHGTSJ-ZDUSSCGKSA-N 1 0 205.301 2.264 10 0 BEAERO [NH3+]CCCNc1c(F)cc(F)cc1Cl ZINC000215740349 371623202 /nfs/dbraw/zinc/62/32/02/371623202.db2.gz HFSOSLCMDQSELI-UHFFFAOYSA-N 1 0 220.650 2.379 10 0 BEAERO CCCC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000226387739 371658433 /nfs/dbraw/zinc/65/84/33/371658433.db2.gz MXCGJXQPOWBQFU-GFCCVEGCSA-N 1 0 203.285 2.243 10 0 BEAERO [NH3+][C@H]1CC[C@@H](C(=O)c2cccc(F)c2)C1 ZINC000226602933 371704974 /nfs/dbraw/zinc/70/49/74/371704974.db2.gz KSRUUGJLLYHMPI-KOLCDFICSA-N 1 0 207.248 2.136 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])C[C@@H]1c1ccc(Br)o1 ZINC000131882310 371705310 /nfs/dbraw/zinc/70/53/10/371705310.db2.gz HEEKRKRYVBKTMK-ACZMJKKPSA-N 1 0 230.105 2.493 10 0 BEAERO CC[C@@](C)([NH3+])C(=O)c1ccc(F)cc1F ZINC000226662507 371719271 /nfs/dbraw/zinc/71/92/71/371719271.db2.gz AIGINSAGBAZROE-LLVKDONJSA-N 1 0 213.227 2.275 10 0 BEAERO Cc1cccc(C(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000226563603 371698293 /nfs/dbraw/zinc/69/82/93/371698293.db2.gz IXDXTYQJVHSIIV-NWDGAFQWSA-N 1 0 201.269 2.081 10 0 BEAERO C[NH2+][C@H](C)C(=O)c1cc2ccccc2o1 ZINC000132141222 371757606 /nfs/dbraw/zinc/75/76/06/371757606.db2.gz IQMHLPGGRACTOE-MRVPVSSYSA-N 1 0 203.241 2.223 10 0 BEAERO CC(C)(C)OC1CC([N@@H+]2CCOC(C)(C)C2)C1 ZINC000132218990 371768440 /nfs/dbraw/zinc/76/84/40/371768440.db2.gz MMVRBTNLKNBKCY-UHFFFAOYSA-N 1 0 241.375 2.443 10 0 BEAERO Cc1cc([C@H](O)[C@H](C)C[NH3+])ccc1Cl ZINC000132218171 371768696 /nfs/dbraw/zinc/76/86/96/371768696.db2.gz UFZLLETUMTXLLX-LDYMZIIASA-N 1 0 213.708 2.277 10 0 BEAERO C[C@H]1CC[NH2+]C[C@@H]1OCc1ccccc1 ZINC000230196974 371869665 /nfs/dbraw/zinc/86/96/65/371869665.db2.gz YBMOKITWBRYVCY-AAEUAGOBSA-N 1 0 205.301 2.201 10 0 BEAERO C[C@H](CO)S[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] ZINC000162869236 371870938 /nfs/dbraw/zinc/87/09/38/371870938.db2.gz ZNMLDGHSIQBJHV-OPRDCNLKSA-N 1 0 217.378 2.006 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000227556752 371890466 /nfs/dbraw/zinc/89/04/66/371890466.db2.gz CWHWUULYUCFIPA-DCAQKATOSA-N 1 0 242.363 2.288 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000163018059 371911489 /nfs/dbraw/zinc/91/14/89/371911489.db2.gz OGDRHNSAJJVVHU-JTQLQIEISA-N 1 0 245.681 2.432 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000306147896 371991404 /nfs/dbraw/zinc/99/14/04/371991404.db2.gz AFNDOSIJVONGNY-JLIMGVALSA-N 1 0 203.326 2.361 10 0 BEAERO COc1cc(NCC(F)(F)F)ccn1 ZINC000133164079 371998582 /nfs/dbraw/zinc/99/85/82/371998582.db2.gz IILVDJUPAUOCLP-UHFFFAOYSA-N 1 0 206.167 2.064 10 0 BEAERO Cc1sccc1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000227881016 371955140 /nfs/dbraw/zinc/95/51/40/371955140.db2.gz FWEYPPCXTBDHRT-NSHDSACASA-N 1 0 209.314 2.381 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])C(C)(C)C1 ZINC000217442162 371956825 /nfs/dbraw/zinc/95/68/25/371956825.db2.gz KILFTHXFTRTDPJ-SNVBAGLBSA-N 1 0 242.363 2.228 10 0 BEAERO Cc1ccc(Br)cc1O[C@H](C)C[NH3+] ZINC000228330079 372017661 /nfs/dbraw/zinc/01/76/61/372017661.db2.gz IJZCWZFQAVMCKE-MRVPVSSYSA-N 1 0 244.132 2.484 10 0 BEAERO C[C@@H]1C[C@@]1([NH3+])c1ncccc1Br ZINC000133346598 372027755 /nfs/dbraw/zinc/02/77/55/372027755.db2.gz DBOVGACUNPMBNY-MUWHJKNJSA-N 1 0 227.105 2.038 10 0 BEAERO Cc1cc(F)ccc1C(=O)[C@@H]([NH3+])C1CC1 ZINC000306559058 372035916 /nfs/dbraw/zinc/03/59/16/372035916.db2.gz AFUWMJFLXMVCPW-NSHDSACASA-N 1 0 207.248 2.054 10 0 BEAERO CCONC1CC[NH+](Cc2ccccc2)CC1 ZINC000133427768 372046849 /nfs/dbraw/zinc/04/68/49/372046849.db2.gz NPICUBKXUCLBDT-UHFFFAOYSA-N 1 0 234.343 2.192 10 0 BEAERO CC[C@@H]([NH3+])Cc1coc(Br)c1 ZINC000306676242 372054900 /nfs/dbraw/zinc/05/49/00/372054900.db2.gz VPJLGTWFHCXVMO-SSDOTTSWSA-N 1 0 218.094 2.322 10 0 BEAERO CSc1ccc(C(N)=[NH2+])c(Br)c1 ZINC000228256751 372008951 /nfs/dbraw/zinc/00/89/51/372008951.db2.gz UJGZZTPODYCISP-UHFFFAOYSA-N 1 0 245.145 2.455 10 0 BEAERO C[C@@H](C[NH3+])c1nc(-c2cncs2)cs1 ZINC000229140893 372122423 /nfs/dbraw/zinc/12/24/23/372122423.db2.gz ORTIKOFYCYTFMB-LURJTMIESA-N 1 0 225.342 2.329 10 0 BEAERO Cc1csc(C[C@H]2CCCC[NH2+]C2)n1 ZINC000134222347 372182913 /nfs/dbraw/zinc/18/29/13/372182913.db2.gz IWSCMRFRONDREH-SNVBAGLBSA-N 1 0 210.346 2.384 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CO[C@H](C)C2)cs1 ZINC000229451694 372152920 /nfs/dbraw/zinc/15/29/20/372152920.db2.gz UAYATSAUHPJZIT-POZPLHJXSA-N 1 0 211.330 2.481 10 0 BEAERO Cc1ncsc1CC[C@H]1CCC[NH2+]C1 ZINC000134209302 372181136 /nfs/dbraw/zinc/18/11/36/372181136.db2.gz ABSKGGKHSBLWHP-SNVBAGLBSA-N 1 0 210.346 2.384 10 0 BEAERO [NH3+][C@@H](c1cnsc1)[C@H]1CCCS1 ZINC000405010334 372130591 /nfs/dbraw/zinc/13/05/91/372130591.db2.gz OEYKLQBCWHFRRW-SFYZADRCSA-N 1 0 200.332 2.039 10 0 BEAERO CC(C)CNC1=[NH+][C@H](C)[C@@H](C)CS1 ZINC000229743935 372189882 /nfs/dbraw/zinc/18/98/82/372189882.db2.gz JGTYTSUSQMUXDZ-DTWKUNHWSA-N 1 0 200.351 2.359 10 0 BEAERO CCOc1cccc([C@@H](C[NH3+])N2CCCC2)c1 ZINC000038970638 372838169 /nfs/dbraw/zinc/83/81/69/372838169.db2.gz UDVDKZWKQHYDTB-CQSZACIVSA-N 1 0 234.343 2.181 10 0 BEAERO CCOc1cccc([C@H](C[NH3+])N2CCCC2)c1 ZINC000038970639 372839034 /nfs/dbraw/zinc/83/90/34/372839034.db2.gz UDVDKZWKQHYDTB-AWEZNQCLSA-N 1 0 234.343 2.181 10 0 BEAERO O=C(C[C@@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000020597441 182016445 /nfs/dbraw/zinc/01/64/45/182016445.db2.gz CINGBIIILSVSML-LBPRGKRZSA-N 1 0 218.300 2.157 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC000054301773 182019124 /nfs/dbraw/zinc/01/91/24/182019124.db2.gz DYQAWROOOATBLM-NSHDSACASA-N 1 0 225.332 2.252 10 0 BEAERO O=C(C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000039204364 182026901 /nfs/dbraw/zinc/02/69/01/182026901.db2.gz OTMIJRNUMNXFBO-GFCCVEGCSA-N 1 0 203.285 2.402 10 0 BEAERO CC(C)[NH2+]Cc1cc2cccc3c2n(c1=O)CC3 ZINC000039288563 372932056 /nfs/dbraw/zinc/93/20/56/372932056.db2.gz LWISLOLNHPKAGK-UHFFFAOYSA-N 1 0 242.322 2.056 10 0 BEAERO O=C(Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000041243577 182040646 /nfs/dbraw/zinc/04/06/46/182040646.db2.gz YAPWXSJQTYJHDW-NSHDSACASA-N 1 0 223.703 2.204 10 0 BEAERO CCn1nccc1[C@H]([NH3+])c1ccsc1 ZINC000069024986 373108384 /nfs/dbraw/zinc/10/83/84/373108384.db2.gz JWPRFKBPCWZJJB-SNVBAGLBSA-N 1 0 207.302 2.013 10 0 BEAERO NC(=[NH2+])Nc1cccc(Br)c1Cl ZINC000142236391 373114517 /nfs/dbraw/zinc/11/45/17/373114517.db2.gz HSKDSTOVMFEJBP-UHFFFAOYSA-N 1 0 248.511 2.408 10 0 BEAERO CCC[C@](C)([NH3+])CNCc1ccccc1 ZINC000040409848 373241304 /nfs/dbraw/zinc/24/13/04/373241304.db2.gz LLKFQUGOKPIDRT-ZDUSSCGKSA-N 1 0 206.333 2.294 10 0 BEAERO CCOc1cccc(C[NH2+][C@H]2CCCN(C)C2)c1 ZINC000040673184 373593284 /nfs/dbraw/zinc/59/32/84/373593284.db2.gz BEHDBQGVYWYIKI-AWEZNQCLSA-N 1 0 248.370 2.269 10 0 BEAERO Cc1ccsc1[C@H]1C[NH2+]C(C)(C)CO1 ZINC000069636492 373563516 /nfs/dbraw/zinc/56/35/16/373563516.db2.gz QROCJKQLKQCHJU-SECBINFHSA-N 1 0 211.330 2.496 10 0 BEAERO Cc1cc([C@H]2[C@@H]([NH3+])CCN2C)c(C)s1 ZINC000069799070 373807376 /nfs/dbraw/zinc/80/73/76/373807376.db2.gz CSXFVOZKOIPULA-QWRGUYRKSA-N 1 0 210.346 2.069 10 0 BEAERO CN1CC[C@@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000069799108 373807687 /nfs/dbraw/zinc/80/76/87/373807687.db2.gz DMDITPVFHVVNOB-MNOVXSKESA-N 1 0 210.708 2.044 10 0 BEAERO C[C@](O)(c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000069842927 373875130 /nfs/dbraw/zinc/87/51/30/373875130.db2.gz KVANKSDSTAZDDZ-GXSJLCMTSA-N 1 0 211.330 2.098 10 0 BEAERO O[C@H](c1cccs1)[C@@H]1CCCCC[NH2+]1 ZINC000069843340 373875451 /nfs/dbraw/zinc/87/54/51/373875451.db2.gz LEYSGLMZJUZZJY-ONGXEEELSA-N 1 0 211.330 2.314 10 0 BEAERO O=C(NCC[C@@H]1CCCC[NH2+]1)Oc1ccccc1 ZINC000019816386 182199767 /nfs/dbraw/zinc/19/97/67/182199767.db2.gz TYRDVILWAOPKTK-LBPRGKRZSA-N 1 0 248.326 2.307 10 0 BEAERO O=C(NCC[C@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000019472035 182200611 /nfs/dbraw/zinc/20/06/11/182200611.db2.gz IDDNFEXWVRYNIH-GFCCVEGCSA-N 1 0 247.342 2.340 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ccc(Cl)cn1 ZINC000070010692 374109903 /nfs/dbraw/zinc/10/99/03/374109903.db2.gz FQWXXKZYMGKQBK-SECBINFHSA-N 1 0 213.712 2.130 10 0 BEAERO Cc1csc([C@H](C)NC(=[NH2+])C2CC2)n1 ZINC000070735127 374181899 /nfs/dbraw/zinc/18/18/99/374181899.db2.gz MIBGTKGOIOMLEM-ZETCQYMHSA-N 1 0 209.318 2.489 10 0 BEAERO CCCCNC(=O)[C@H](C)[NH2+]C1CCCCC1 ZINC000026515209 168857863 /nfs/dbraw/zinc/85/78/63/168857863.db2.gz HEECGWLBGIGATM-NSHDSACASA-N 1 0 226.364 2.214 10 0 BEAERO C[C@H]([NH3+])c1csc([C@@H]2CCCOC2)n1 ZINC000070842461 374205059 /nfs/dbraw/zinc/20/50/59/374205059.db2.gz CXEWNTJOWDLQKO-JGVFFNPUSA-N 1 0 212.318 2.057 10 0 BEAERO Cc1cc(Br)cc([C@H](O)CC[NH3+])c1 ZINC000143686196 374242234 /nfs/dbraw/zinc/24/22/34/374242234.db2.gz KCWICYCWQXECHU-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO c1cc2n(c1)[C@@H]1CCCC[C@@H]1NC21CC[NH2+]CC1 ZINC000144315309 374284213 /nfs/dbraw/zinc/28/42/13/374284213.db2.gz VIIBZNSRDLMKHQ-QWHCGFSZSA-N 1 0 245.370 2.154 10 0 BEAERO CCCC[NH2+][C@H]1CC2=C(C1)C[C@@H](O)CC2 ZINC000075618490 168876743 /nfs/dbraw/zinc/87/67/43/168876743.db2.gz GKXNTSOCLRMPAY-STQMWFEESA-N 1 0 209.333 2.380 10 0 BEAERO CC(C)(C)Cc1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000096877085 166607239 /nfs/dbraw/zinc/60/72/39/166607239.db2.gz BTLGBPVPFYZRFV-JTQLQIEISA-N 1 0 237.347 2.200 10 0 BEAERO CCCCOc1cc2c(cc1CC[NH3+])OCO2 ZINC000042877486 168916952 /nfs/dbraw/zinc/91/69/52/168916952.db2.gz LEQCHDMVQGYJOP-UHFFFAOYSA-N 1 0 237.299 2.095 10 0 BEAERO OC1(C2CC2)C[NH+](C[C@@H]2CCCCC2(F)F)C1 ZINC000336144608 183015428 /nfs/dbraw/zinc/01/54/28/183015428.db2.gz HLIOTQVUJNYXPG-NSHDSACASA-N 1 0 245.313 2.269 10 0 BEAERO OC1(C[NH2+]CC2CCC2)CCCCCC1 ZINC000037863914 183018367 /nfs/dbraw/zinc/01/83/67/183018367.db2.gz YGTPRLWTFCSIGT-UHFFFAOYSA-N 1 0 211.349 2.461 10 0 BEAERO OC1([C@@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000064437059 183022801 /nfs/dbraw/zinc/02/28/01/183022801.db2.gz BZHUMCQXPNKZAT-BPHCLYMKSA-N 1 0 235.371 2.316 10 0 BEAERO OCC1CCC2(CC[N@@H+](C3CC3)C2)CC1 ZINC000095078458 183041582 /nfs/dbraw/zinc/04/15/82/183041582.db2.gz TZKUWHPGUJADGZ-UHFFFAOYSA-N 1 0 209.333 2.023 10 0 BEAERO OCCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308912555 183047758 /nfs/dbraw/zinc/04/77/58/183047758.db2.gz YJMZXPKISYGZBF-NWDGAFQWSA-N 1 0 217.328 2.267 10 0 BEAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnoc1C1CC1 ZINC000371451201 183031909 /nfs/dbraw/zinc/03/19/09/183031909.db2.gz QVIAGAPPTHXGTB-FUNVUKJBSA-N 1 0 248.326 2.040 10 0 BEAERO OCC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCC1 ZINC000309635592 183035878 /nfs/dbraw/zinc/03/58/78/183035878.db2.gz MIMPHPRSBFSZER-NWDGAFQWSA-N 1 0 229.339 2.267 10 0 BEAERO OCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494900 183054706 /nfs/dbraw/zinc/05/47/06/183054706.db2.gz TXKTWSDWZZLGCC-ZDUSSCGKSA-N 1 0 209.333 2.191 10 0 BEAERO OCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037236599 183060550 /nfs/dbraw/zinc/06/05/50/183060550.db2.gz JLHRFUDZMYHDSP-ZDUSSCGKSA-N 1 0 223.291 2.249 10 0 BEAERO OCCCSCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309611362 183061157 /nfs/dbraw/zinc/06/11/57/183061157.db2.gz ZOEDQUURCBVNNQ-RYUDHWBXSA-N 1 0 249.395 2.220 10 0 BEAERO OCCC[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000006117805 183064895 /nfs/dbraw/zinc/06/48/95/183064895.db2.gz XQJOQBSYNVJACP-CYBMUJFWSA-N 1 0 230.311 2.127 10 0 BEAERO OCC[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000336717918 183093016 /nfs/dbraw/zinc/09/30/16/183093016.db2.gz UUEOQMHUPFTMCD-KBPBESRZSA-N 1 0 231.339 2.173 10 0 BEAERO OCC[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000049137632 183093246 /nfs/dbraw/zinc/09/32/46/183093246.db2.gz WJNVZTZGSHZYPB-NSHDSACASA-N 1 0 225.357 2.485 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000128040456 183094360 /nfs/dbraw/zinc/09/43/60/183094360.db2.gz UDBFNSBFGACULS-JTQLQIEISA-N 1 0 241.281 2.169 10 0 BEAERO CCCC[C@H](C[NH3+])NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000132845455 169002605 /nfs/dbraw/zinc/00/26/05/169002605.db2.gz MJCCNTKSTIPKLT-FKJOKYEKSA-N 1 0 238.375 2.056 10 0 BEAERO OC[C@@H]1CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000377244102 183116509 /nfs/dbraw/zinc/11/65/09/183116509.db2.gz WIRUSMLYEUAGDH-ZIAGYGMSSA-N 1 0 223.360 2.437 10 0 BEAERO OCC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000300716701 183098494 /nfs/dbraw/zinc/09/84/94/183098494.db2.gz DPSVRICVTVIRQA-CYBMUJFWSA-N 1 0 211.349 2.271 10 0 BEAERO CCCCc1ccc([C@@H](C)[C@@H](O)C[NH3+])cc1 ZINC000041238455 169021692 /nfs/dbraw/zinc/02/16/92/169021692.db2.gz YFEAQHQTMYQTAB-RISCZKNCSA-N 1 0 221.344 2.452 10 0 BEAERO CCCCc1ccc([C@@H]([NH3+])CCC(N)=O)cc1 ZINC000037636250 169022177 /nfs/dbraw/zinc/02/21/77/169022177.db2.gz ZUBUCRWXHLZVRP-ZDUSSCGKSA-N 1 0 234.343 2.295 10 0 BEAERO CCCCc1ccc([C@H]([NH2+]C)C(=O)NC)cc1 ZINC000098125941 169022835 /nfs/dbraw/zinc/02/28/35/169022835.db2.gz REOWUULMGSMMEC-ZDUSSCGKSA-N 1 0 234.343 2.036 10 0 BEAERO CCCN(C(=O)[C@@H]1CCC[C@H](C)[NH2+]1)C(C)C ZINC000037096441 169045255 /nfs/dbraw/zinc/04/52/55/169045255.db2.gz BQOWKQABNGKELA-RYUDHWBXSA-N 1 0 226.364 2.164 10 0 BEAERO OC[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000104314754 183152637 /nfs/dbraw/zinc/15/26/37/183152637.db2.gz PWUMCJVZLCAEPF-DZGCQCFKSA-N 1 0 245.366 2.421 10 0 BEAERO CCCN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])C(C)C ZINC000055086975 169045005 /nfs/dbraw/zinc/04/50/05/169045005.db2.gz GJPLIKJRVAEXKS-RYUDHWBXSA-N 1 0 226.364 2.151 10 0 BEAERO CCCN(C(=O)C1CC1)c1ccc(C[NH3+])cc1 ZINC000034654221 169040920 /nfs/dbraw/zinc/04/09/20/169040920.db2.gz MNKHVSJUROQNMW-UHFFFAOYSA-N 1 0 232.327 2.298 10 0 BEAERO OCc1ccc(Cl)cc1[C@@H]1CCC[NH2+]1 ZINC000072202029 183165089 /nfs/dbraw/zinc/16/50/89/183165089.db2.gz FOMGDRHMEKJUPM-NSHDSACASA-N 1 0 211.692 2.257 10 0 BEAERO OC[C@H]1CCCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000374048564 183146083 /nfs/dbraw/zinc/14/60/83/183146083.db2.gz FSRHVZTWRUHBIT-ZDUSSCGKSA-N 1 0 237.318 2.420 10 0 BEAERO O[C@@H](C[NH2+]CCc1ccccc1)c1ccco1 ZINC000032016054 183179573 /nfs/dbraw/zinc/17/95/73/183179573.db2.gz VSCPVGXUWNZCPQ-ZDUSSCGKSA-N 1 0 231.295 2.145 10 0 BEAERO O[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000041292083 183184349 /nfs/dbraw/zinc/18/43/49/183184349.db2.gz XJRRCJRNGGFSCI-QWRGUYRKSA-N 1 0 245.244 2.491 10 0 BEAERO O[C@@H](c1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000036162540 183184635 /nfs/dbraw/zinc/18/46/35/183184635.db2.gz OJXFFKWTXGQWAU-OIBJUYFYSA-N 1 0 231.748 2.435 10 0 BEAERO OCc1cccc(OCCC[C@H]2CCC[NH2+]2)c1 ZINC000052765299 183168175 /nfs/dbraw/zinc/16/81/75/183168175.db2.gz YWRWPIMAVOYZIS-CYBMUJFWSA-N 1 0 235.327 2.090 10 0 BEAERO OCc1cn(CC[NH+]2CCCC2)c2ccccc12 ZINC000077009403 183169502 /nfs/dbraw/zinc/16/95/02/183169502.db2.gz GQJQDHDTCBFNRZ-UHFFFAOYSA-N 1 0 244.338 2.229 10 0 BEAERO O[C@@H](CCCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000041233403 183172657 /nfs/dbraw/zinc/17/26/57/183172657.db2.gz PVXGMXLBTOMAPB-KGLIPLIRSA-N 1 0 219.328 2.122 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000037164946 183197016 /nfs/dbraw/zinc/19/70/16/183197016.db2.gz OWCYDCTVYNJWPV-QWHCGFSZSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@@H]1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000041225892 183200786 /nfs/dbraw/zinc/20/07/86/183200786.db2.gz JIKYCLGMRKFQKM-GHMZBOCLSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000336711890 183203400 /nfs/dbraw/zinc/20/34/00/183203400.db2.gz SLAGFQDECPHPIJ-WUHRBBMRSA-N 1 0 229.339 2.265 10 0 BEAERO CCC[N@H+](C)CCC(=O)Nc1ccc(N)cc1C ZINC000037097796 169075197 /nfs/dbraw/zinc/07/51/97/169075197.db2.gz BSOGGOJPEDJLKX-UHFFFAOYSA-N 1 0 249.358 2.248 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCCC2)[C@@H]1CCC[NH2+]1 ZINC000032016090 183185370 /nfs/dbraw/zinc/18/53/70/183185370.db2.gz NFYYJJXCCOCBRQ-GJZGRUSLSA-N 1 0 231.339 2.351 10 0 BEAERO O[C@@H](c1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000041292035 183185400 /nfs/dbraw/zinc/18/54/00/183185400.db2.gz PBBJMOPBMAWFGO-QWRGUYRKSA-N 1 0 245.244 2.491 10 0 BEAERO O[C@@H](c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000041225886 183185531 /nfs/dbraw/zinc/18/55/31/183185531.db2.gz NULYGTQKFDJDFT-MNOVXSKESA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCC2(CCC2)C1 ZINC000305693705 183187707 /nfs/dbraw/zinc/18/77/07/183187707.db2.gz SOGJJHFVTAKOPL-NWDGAFQWSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000077204499 183188232 /nfs/dbraw/zinc/18/82/32/183188232.db2.gz VICISNXUQXRWDM-TZMCWYRMSA-N 1 0 237.318 2.466 10 0 BEAERO O[C@@H]1CCC[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000060114278 183193091 /nfs/dbraw/zinc/19/30/91/183193091.db2.gz FWZXKAJWPUSUIW-GHMZBOCLSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000084228082 183195594 /nfs/dbraw/zinc/19/55/94/183195594.db2.gz TUVUEMZVOJIBGG-DGCLKSJQSA-N 1 0 223.291 2.076 10 0 BEAERO O[C@@]1(c2cccc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000059955545 183217531 /nfs/dbraw/zinc/21/75/31/183217531.db2.gz ZQFAKMZALKUKLP-NSHDSACASA-N 1 0 245.244 2.276 10 0 BEAERO O[C@@]1(c2ccc(Cl)cc2)CCC[NH2+]CC1 ZINC000060015039 183218060 /nfs/dbraw/zinc/21/80/60/183218060.db2.gz GTZNLSKPIPZINF-LBPRGKRZSA-N 1 0 225.719 2.301 10 0 BEAERO O[C@H](CC1CCCC1)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000352857757 183219463 /nfs/dbraw/zinc/21/94/63/183219463.db2.gz JNKOXOIXMMPFTM-BFHYXJOUSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@H](C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000042444414 183219865 /nfs/dbraw/zinc/21/98/65/183219865.db2.gz FSWNAZVHAUJDLP-CYBMUJFWSA-N 1 0 237.368 2.159 10 0 BEAERO O[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)C(F)(F)F ZINC000309620337 183225294 /nfs/dbraw/zinc/22/52/94/183225294.db2.gz GZHROXOUCBIBBC-HRDYMLBCSA-N 1 0 243.244 2.028 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCc2c(F)cccc2C1 ZINC000119454106 183231235 /nfs/dbraw/zinc/23/12/35/183231235.db2.gz IOJNABXQWLBDSB-GJZGRUSLSA-N 1 0 249.329 2.487 10 0 BEAERO O[C@H](c1c[nH]c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000036906410 183228166 /nfs/dbraw/zinc/22/81/66/183228166.db2.gz AVYSGIUTMJEUER-HZMBPMFUSA-N 1 0 230.311 2.201 10 0 BEAERO O[C@H](c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000041225900 183229200 /nfs/dbraw/zinc/22/92/00/183229200.db2.gz DBNLVCOMVDGCDS-WDEREUQCSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H](c1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]C1 ZINC000036162446 183229268 /nfs/dbraw/zinc/22/92/68/183229268.db2.gz WQJYNBDNKQSQIX-LSDHHAIUSA-N 1 0 231.339 2.208 10 0 BEAERO O[C@H](c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000041225884 183229699 /nfs/dbraw/zinc/22/96/99/183229699.db2.gz NULYGTQKFDJDFT-WDEREUQCSA-N 1 0 211.692 2.125 10 0 BEAERO CCCN(C)c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054894968 169089975 /nfs/dbraw/zinc/08/99/75/169089975.db2.gz GZDIDHBNMKEBPU-SSDOTTSWSA-N 1 0 213.350 2.317 10 0 BEAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1ccco1 ZINC000037882856 183231722 /nfs/dbraw/zinc/23/17/22/183231722.db2.gz OKDIDOCYEGKMSY-NEPJUHHUSA-N 1 0 209.289 2.063 10 0 BEAERO O[C@@H]1C[C@@H]2CC[C@H]1[N@H+](Cc1ccccc1)C2 ZINC000004368220 183211499 /nfs/dbraw/zinc/21/14/99/183211499.db2.gz LSQZRPLAUOVRPZ-BFHYXJOUSA-N 1 0 217.312 2.032 10 0 BEAERO O[C@@H]1c2ccccc2OC[C@H]1[NH+]1CCCCCC1 ZINC000044118084 183214245 /nfs/dbraw/zinc/21/42/45/183214245.db2.gz XCDLIDGAXCYDRT-UKRRQHHQSA-N 1 0 247.338 2.357 10 0 BEAERO CCC[N@H+](CC(=O)Nc1cccc(N)c1)C1CC1 ZINC000037096712 169096391 /nfs/dbraw/zinc/09/63/91/169096391.db2.gz LRGOUDDMIDSOQZ-UHFFFAOYSA-N 1 0 247.342 2.082 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000084231585 183238034 /nfs/dbraw/zinc/23/80/34/183238034.db2.gz XQPZHUQZLRRDGK-AAEUAGOBSA-N 1 0 223.291 2.076 10 0 BEAERO O[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000070599983 183238232 /nfs/dbraw/zinc/23/82/32/183238232.db2.gz KGLZHZRUSWCCCQ-BDAKNGLRSA-N 1 0 231.748 2.405 10 0 BEAERO O[C@H]1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000041225878 183240908 /nfs/dbraw/zinc/24/09/08/183240908.db2.gz JPIKAVDNAZTEIW-KWQFWETISA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1CCc2c1cccc2OCC[NH+]1CCCC1 ZINC000062800432 183242069 /nfs/dbraw/zinc/24/20/69/183242069.db2.gz LAACCLJOUSSEKO-AWEZNQCLSA-N 1 0 247.338 2.141 10 0 BEAERO CCCN(CC)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037095101 169116287 /nfs/dbraw/zinc/11/62/87/169116287.db2.gz GGCUIJVFIOKMHE-AVGNSLFASA-N 1 0 238.375 2.166 10 0 BEAERO O[C@H]1C[NH2+]C[C@@H]1CSc1cccc(Cl)c1 ZINC000036375267 183245369 /nfs/dbraw/zinc/24/53/69/183245369.db2.gz OYDJKVOMYHSATN-KCJUWKMLSA-N 1 0 243.759 2.012 10 0 BEAERO O[C@]1(c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000104108238 183251400 /nfs/dbraw/zinc/25/14/00/183251400.db2.gz ABEXCXLWHPTKFT-OAHLLOKOSA-N 1 0 227.307 2.411 10 0 BEAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091893216 183232466 /nfs/dbraw/zinc/23/24/66/183232466.db2.gz JXISTLHYOWWFOK-CABCVRRESA-N 1 0 249.329 2.487 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(C(F)F)CC1 ZINC000336553669 183232484 /nfs/dbraw/zinc/23/24/84/183232484.db2.gz SDNKYCGQCJSBOV-MNOVXSKESA-N 1 0 233.302 2.267 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC000037741275 183232745 /nfs/dbraw/zinc/23/27/45/183232745.db2.gz OAUPAONWMJGLFO-OLZOCXBDSA-N 1 0 211.349 2.460 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000051996319 183233844 /nfs/dbraw/zinc/23/38/44/183233844.db2.gz XCEUODVXDNSYHI-ZJUUUORDSA-N 1 0 229.707 2.326 10 0 BEAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000037164278 183235585 /nfs/dbraw/zinc/23/55/85/183235585.db2.gz PFRHBWVCKXGDAM-OLZOCXBDSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000104238345 183236772 /nfs/dbraw/zinc/23/67/72/183236772.db2.gz UVBRAHASPKQPHQ-QWRGUYRKSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000089165489 183237766 /nfs/dbraw/zinc/23/77/66/183237766.db2.gz ZGFDPMCKXBVAGW-ZANVPECISA-N 1 0 241.281 2.215 10 0 BEAERO CCC[NH+](CCC)C[C@@H](O)c1cccc(N)c1 ZINC000041138492 169149707 /nfs/dbraw/zinc/14/97/07/169149707.db2.gz BNEMZHUZXGTVIQ-CQSZACIVSA-N 1 0 236.359 2.424 10 0 BEAERO CCCN(CCC)[C@@H](C[NH3+])c1cccnc1 ZINC000019257106 169150351 /nfs/dbraw/zinc/15/03/51/169150351.db2.gz LKVQXTGLQKJSOQ-ZDUSSCGKSA-N 1 0 221.348 2.203 10 0 BEAERO Oc1ccc(C2=CC[NH2+]CC2)cc1Cl ZINC000020578378 183267611 /nfs/dbraw/zinc/26/76/11/183267611.db2.gz KLJDDSFRPXODLO-UHFFFAOYSA-N 1 0 209.676 2.422 10 0 BEAERO Oc1ccc(Br)cc1[C@@H]1CC[NH2+]C1 ZINC000096877776 183268194 /nfs/dbraw/zinc/26/81/94/183268194.db2.gz JCUYTPSDLQEUHY-SSDOTTSWSA-N 1 0 242.116 2.232 10 0 BEAERO CCCN(CCC)[C@H](C[NH3+])c1cccnc1 ZINC000019257108 169151773 /nfs/dbraw/zinc/15/17/73/169151773.db2.gz LKVQXTGLQKJSOQ-CYBMUJFWSA-N 1 0 221.348 2.203 10 0 BEAERO Oc1ccc(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000043476951 183270282 /nfs/dbraw/zinc/27/02/82/183270282.db2.gz KLEPQEAOCDHQMY-SNVBAGLBSA-N 1 0 241.718 2.314 10 0 BEAERO Oc1ccc2c(c1)OCC[N@H+](C1CCC1)C2 ZINC000285348262 183280149 /nfs/dbraw/zinc/28/01/49/183280149.db2.gz ATHDZGLKECFJCC-UHFFFAOYSA-N 1 0 219.284 2.139 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000019432146 169143918 /nfs/dbraw/zinc/14/39/18/169143918.db2.gz HBHXGDJOWYECMX-RYUDHWBXSA-N 1 0 226.364 2.166 10 0 BEAERO CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H]1C ZINC000107352650 169147064 /nfs/dbraw/zinc/14/70/64/169147064.db2.gz MZOACACWSXLHAI-OLZOCXBDSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[NH+](CCC)[C@H]1CCc2c[nH]nc2C1 ZINC000027553789 169152908 /nfs/dbraw/zinc/15/29/08/169152908.db2.gz BEXFLNUPTHLMNQ-LBPRGKRZSA-N 1 0 221.348 2.389 10 0 BEAERO CCCN(CCC[NH3+])c1cccc(OCC)n1 ZINC000104117692 169155962 /nfs/dbraw/zinc/15/59/62/169155962.db2.gz ITEQOPMLVMKYKU-UHFFFAOYSA-N 1 0 237.347 2.046 10 0 BEAERO CCCN(CC[NH3+])c1ccccc1CC ZINC000076583877 169157662 /nfs/dbraw/zinc/15/76/62/169157662.db2.gz FEHHGWRIENFNJL-UHFFFAOYSA-N 1 0 206.333 2.424 10 0 BEAERO CCC[N@H+](CCNCc1ccccn1)C(C)C ZINC000053378390 169159280 /nfs/dbraw/zinc/15/92/80/169159280.db2.gz OUSKKPSCDWRMME-UHFFFAOYSA-N 1 0 235.375 2.292 10 0 BEAERO CCCN(Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000082500416 169180003 /nfs/dbraw/zinc/18/00/03/169180003.db2.gz STMYMMKOPRAAJP-LBPRGKRZSA-N 1 0 222.332 2.244 10 0 BEAERO c1c2c(sc1C1CC[NH2+]CC1)COC2 ZINC000082374874 183321090 /nfs/dbraw/zinc/32/10/90/183321090.db2.gz XSVRTJIAEYKNIS-UHFFFAOYSA-N 1 0 209.314 2.245 10 0 BEAERO c1c2c(cc3c1CC[NH2+][C@H]3C1CC1)OCO2 ZINC000011599143 183322004 /nfs/dbraw/zinc/32/20/04/183322004.db2.gz KYSIMBADOZUDMU-ZDUSSCGKSA-N 1 0 217.268 2.012 10 0 BEAERO c1c[nH]c(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000048436295 183325086 /nfs/dbraw/zinc/32/50/86/183325086.db2.gz CDCBWAWUVHULTC-UHFFFAOYSA-N 1 0 244.294 2.076 10 0 BEAERO CCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178330101 169198006 /nfs/dbraw/zinc/19/80/06/169198006.db2.gz BVEARDKCZNMTGI-GFCCVEGCSA-N 1 0 207.321 2.066 10 0 BEAERO CCC[N@@H+]1CCO[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000022064449 169204077 /nfs/dbraw/zinc/20/40/77/169204077.db2.gz JCSREICEMHWFAY-GJZGRUSLSA-N 1 0 247.338 2.490 10 0 in-vitro BEAERO CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121554373 169210500 /nfs/dbraw/zinc/21/05/00/169210500.db2.gz FTDAVDPQUTWOAC-GXFFZTMASA-N 1 0 241.281 2.483 10 0 BEAERO c1cc(-c2cccc(NC3CC[NH2+]CC3)c2)n[nH]1 ZINC000038041373 183357656 /nfs/dbraw/zinc/35/76/56/183357656.db2.gz DMWVNSZNPZTUDV-UHFFFAOYSA-N 1 0 242.326 2.241 10 0 BEAERO c1cc2cnccc2c(NC2CC[NH2+]CC2)c1 ZINC000038040968 183357800 /nfs/dbraw/zinc/35/78/00/183357800.db2.gz GVLRKKDKDFFLSL-UHFFFAOYSA-N 1 0 227.311 2.399 10 0 BEAERO CCC[NH2+]C1(c2nc(C)cs2)CCOCC1 ZINC000041061379 169254517 /nfs/dbraw/zinc/25/45/17/169254517.db2.gz LNTLETJTEHLKMQ-UHFFFAOYSA-N 1 0 240.372 2.457 10 0 BEAERO CCC[NH2+]C1CCN([C@@H](C)[C@H]2CCCO2)CC1 ZINC000035735965 169255911 /nfs/dbraw/zinc/25/59/11/169255911.db2.gz GPQKCPPKVJHLAN-GXTWGEPZSA-N 1 0 240.391 2.018 10 0 BEAERO CCC[NH2+]CC(=O)N1CCC2(CCCC2)CC1 ZINC000062958308 169256219 /nfs/dbraw/zinc/25/62/19/169256219.db2.gz DBWSCCVACQBCRS-UHFFFAOYSA-N 1 0 238.375 2.169 10 0 BEAERO c1cc2c(c([C@H]3CCC[NH2+]C3)c1)NCC2 ZINC000089210330 183366616 /nfs/dbraw/zinc/36/66/16/183366616.db2.gz BEXHRKJDIXZZOS-NSHDSACASA-N 1 0 202.301 2.122 10 0 BEAERO CCC[NH2+]CCN(C)c1cc(C(C)C)ncn1 ZINC000053692168 169258178 /nfs/dbraw/zinc/25/81/78/169258178.db2.gz WXEFIGQBNFPTSJ-UHFFFAOYSA-N 1 0 236.363 2.036 10 0 BEAERO c1cc(C[NH2+]CC[C@H]2CCCO2)cc2c1OCO2 ZINC000038096040 183367772 /nfs/dbraw/zinc/36/77/72/183367772.db2.gz HVKMWRJEYBQAMC-GFCCVEGCSA-N 1 0 249.310 2.074 10 0 BEAERO CCC[NH2+]CCOC(=O)NC1CCCCC1 ZINC000082691132 169260146 /nfs/dbraw/zinc/26/01/46/169260146.db2.gz FCVVEVNRMQZURQ-UHFFFAOYSA-N 1 0 228.336 2.045 10 0 BEAERO CCC[NH2+]CCOCc1ccc(OC)c(F)c1 ZINC000051844752 169260464 /nfs/dbraw/zinc/26/04/64/169260464.db2.gz NULLBLQNFSAWRV-UHFFFAOYSA-N 1 0 241.306 2.351 10 0 BEAERO CCC[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000020123132 169262410 /nfs/dbraw/zinc/26/24/10/169262410.db2.gz DBYJIFHFKOATQG-LBPRGKRZSA-N 1 0 222.332 2.416 10 0 BEAERO c1cc(OCC[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000051920076 183370830 /nfs/dbraw/zinc/37/08/30/183370830.db2.gz RZNLTQBSUOMLCP-LLVKDONJSA-N 1 0 249.310 2.184 10 0 BEAERO c1cc2c3c(n4c2c(c1)C[NH2+]CC4)CCC3 ZINC000026576077 183372890 /nfs/dbraw/zinc/37/28/90/183372890.db2.gz DPHFYUMHDPCCRU-UHFFFAOYSA-N 1 0 212.296 2.233 10 0 BEAERO c1cc2nc(C3CC[NH2+]CC3)ccc2[nH]1 ZINC000074211630 183376630 /nfs/dbraw/zinc/37/66/30/183376630.db2.gz GYIRBUADHVUWRT-UHFFFAOYSA-N 1 0 201.273 2.030 10 0 BEAERO c1cc2ncc([C@H]3CCC[NH2+]C3)cc2[nH]1 ZINC000089221048 183376710 /nfs/dbraw/zinc/37/67/10/183376710.db2.gz BFRSEROYGCNTGC-VIFPVBQESA-N 1 0 201.273 2.030 10 0 BEAERO c1cc2nc([C@@H]3CCCC[NH2+]3)ccc2[nH]1 ZINC000089220989 183376778 /nfs/dbraw/zinc/37/67/78/183376778.db2.gz WSQYWGOYKYQFQI-VIFPVBQESA-N 1 0 201.273 2.378 10 0 BEAERO c1cc(-c2ccccc2)[nH]c1C1=[NH+]CCN1 ZINC000035033794 183379384 /nfs/dbraw/zinc/37/93/84/183379384.db2.gz MAUGNHNAGACUJE-UHFFFAOYSA-N 1 0 211.268 2.032 10 0 BEAERO CCCNC(=O)[C@@H](CC[NH3+])c1cc(C)ccc1C ZINC000076634075 169243264 /nfs/dbraw/zinc/24/32/64/169243264.db2.gz UQHAOUXWGNMYNH-ZDUSSCGKSA-N 1 0 248.370 2.262 10 0 BEAERO c1nc(C[NH2+]C2CC2)sc1-c1ccccn1 ZINC000083243062 183380502 /nfs/dbraw/zinc/38/05/02/183380502.db2.gz ZBJNRWGMZQJTOF-UHFFFAOYSA-N 1 0 231.324 2.457 10 0 BEAERO c1nsc2c1cccc2[C@@H]1CC[NH2+]C1 ZINC000082380127 183362896 /nfs/dbraw/zinc/36/28/96/183362896.db2.gz LIIRRSXBRHZXIR-MRVPVSSYSA-N 1 0 204.298 2.373 10 0 BEAERO c1cn(C(c2ccccc2)n2ccnc2)cn1 ZINC000028766384 183388120 /nfs/dbraw/zinc/38/81/20/183388120.db2.gz CFUFQYGMVSPEFM-UHFFFAOYSA-N 1 0 224.267 2.175 10 0 BEAERO CCC[NH2+][C@H](C)c1nnc([C@@H]2CCCCO2)o1 ZINC000050973903 169288304 /nfs/dbraw/zinc/28/83/04/169288304.db2.gz QTRPEQHLOUIYBM-ZJUUUORDSA-N 1 0 239.319 2.372 10 0 BEAERO CCC[NH2+][C@H](C)c1csc(CN(C)C)n1 ZINC000070841861 169288410 /nfs/dbraw/zinc/28/84/10/169288410.db2.gz OZBVADCKLINRGH-SECBINFHSA-N 1 0 227.377 2.265 10 0 BEAERO c1nn(Cc2ccccc2)cc1[C@H]1CCC[NH2+]1 ZINC000075868083 183411964 /nfs/dbraw/zinc/41/19/64/183411964.db2.gz ACNFGLDFEMNVIV-CQSZACIVSA-N 1 0 227.311 2.356 10 0 BEAERO CCC[NH2+][C@H](CC1CCOCC1)c1cnccn1 ZINC000053828893 169289356 /nfs/dbraw/zinc/28/93/56/169289356.db2.gz CLNWTFHKUKSNFT-CYBMUJFWSA-N 1 0 249.358 2.334 10 0 BEAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@H]1COCCO1 ZINC000055300445 169290124 /nfs/dbraw/zinc/29/01/24/169290124.db2.gz ZBRJRJFEKGXEFH-HUUCEWRRSA-N 1 0 249.354 2.451 10 0 BEAERO CCC[NH2+]C[C@@](C)(O)c1ccc(OCC)cc1 ZINC000033466224 169263157 /nfs/dbraw/zinc/26/31/57/169263157.db2.gz CKRNWDIGNDTQFF-CQSZACIVSA-N 1 0 237.343 2.292 10 0 BEAERO c1ccc(C2CC([NH2+][C@@H]3CCSC3)C2)nc1 ZINC000309689268 183390819 /nfs/dbraw/zinc/39/08/19/183390819.db2.gz PDAMUTSNGRYLQD-MOENNCHZSA-N 1 0 234.368 2.423 10 0 BEAERO CCC[NH2+]C[C@@](C)(O)c1ccccc1OCC ZINC000033466236 169263695 /nfs/dbraw/zinc/26/36/95/169263695.db2.gz UQPSWSUNQPULGB-CQSZACIVSA-N 1 0 237.343 2.292 10 0 BEAERO CCC[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000033466175 169263711 /nfs/dbraw/zinc/26/37/11/169263711.db2.gz MMKFJAUSPKCCSA-ZDUSSCGKSA-N 1 0 237.343 2.043 10 0 BEAERO CCC[NH2+]C[C@H](C)c1c(C)ncnc1C ZINC000054854921 169263859 /nfs/dbraw/zinc/26/38/59/169263859.db2.gz GWTWJNPFIYVDLE-VIFPVBQESA-N 1 0 207.321 2.197 10 0 BEAERO CCC[NH2+]C[C@H](O)c1cccc(OCC)c1 ZINC000032014535 169264377 /nfs/dbraw/zinc/26/43/77/169264377.db2.gz PAOXXQAGVISRJZ-ZDUSSCGKSA-N 1 0 223.316 2.118 10 0 BEAERO CCC[NH2+]C[C@H](c1cccs1)N(C)C ZINC000020147676 169264474 /nfs/dbraw/zinc/26/44/74/169264474.db2.gz IBMAUBZHDLJFHA-SNVBAGLBSA-N 1 0 212.362 2.350 10 0 BEAERO CCC[NH2+]C[C@](C)(O)c1ccc(OCC)cc1 ZINC000033466225 169264700 /nfs/dbraw/zinc/26/47/00/169264700.db2.gz CKRNWDIGNDTQFF-AWEZNQCLSA-N 1 0 237.343 2.292 10 0 BEAERO CCC[NH2+]C[C@H](O)c1cc(Cl)ccc1OC ZINC000049831572 169264915 /nfs/dbraw/zinc/26/49/15/169264915.db2.gz ZSLFXGFZEOXVKX-NSHDSACASA-N 1 0 243.734 2.382 10 0 BEAERO CCC[NH2+]Cc1cccnc1N1CC[C@H](C)C1 ZINC000051448269 169268019 /nfs/dbraw/zinc/26/80/19/169268019.db2.gz MFIOBOUFSFAVSW-LBPRGKRZSA-N 1 0 233.359 2.427 10 0 BEAERO CCC[NH2+]Cc1ccnc(-c2ncccc2C)n1 ZINC000054791454 169268321 /nfs/dbraw/zinc/26/83/21/169268321.db2.gz GTBFWEHPIJJVAB-UHFFFAOYSA-N 1 0 242.326 2.347 10 0 BEAERO CCC[NH2+]Cc1ccnc(-n2ccnc2CC)c1 ZINC000051517967 169268534 /nfs/dbraw/zinc/26/85/34/169268534.db2.gz FNGFXAKBUQZXNM-UHFFFAOYSA-N 1 0 244.342 2.329 10 0 BEAERO CCC[NH2+]Cc1occc1COCCCOC ZINC000052597623 169268886 /nfs/dbraw/zinc/26/88/86/169268886.db2.gz YNPQZDSJQFBFLT-UHFFFAOYSA-N 1 0 241.331 2.332 10 0 BEAERO CCC[NH2+]Cc1sc(CC)nc1COC ZINC000082441311 169268963 /nfs/dbraw/zinc/26/89/63/169268963.db2.gz VIDMWPMIFLIZSA-UHFFFAOYSA-N 1 0 228.361 2.352 10 0 BEAERO CCC[NH2+]Cc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000044624167 169269795 /nfs/dbraw/zinc/26/97/95/169269795.db2.gz LTRADNCXMCMLOX-UHFFFAOYSA-N 1 0 249.314 2.080 10 0 BEAERO CCC[NH2+]Cc1cnn(-c2ccccn2)c1C ZINC000042355589 169269968 /nfs/dbraw/zinc/26/99/68/169269968.db2.gz CDOZAADNXAELGA-UHFFFAOYSA-N 1 0 230.315 2.075 10 0 BEAERO c1ccc(CN2CCCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000076677774 183397151 /nfs/dbraw/zinc/39/71/51/183397151.db2.gz MVQSUYJXDXHSTL-GJZGRUSLSA-N 1 0 230.355 2.403 10 0 BEAERO c1ccc(CN2CC3(C2)CCCC[NH2+]3)cc1 ZINC000082369521 183397552 /nfs/dbraw/zinc/39/75/52/183397552.db2.gz FKUWMCZADBIPQK-UHFFFAOYSA-N 1 0 216.328 2.015 10 0 BEAERO CCC[NH2+][C@@H](C)Cn1nc(C)c(CC)c1C ZINC000044033157 169276360 /nfs/dbraw/zinc/27/63/60/169276360.db2.gz RYVBDEYZRXRPHO-JTQLQIEISA-N 1 0 223.364 2.450 10 0 BEAERO CC(C)(C)[NH2+]CCc1nncn1C1CCCC1 ZINC000054526360 166631618 /nfs/dbraw/zinc/63/16/18/166631618.db2.gz HUHAHXKQFVNLCE-UHFFFAOYSA-N 1 0 236.363 2.324 10 0 BEAERO CCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000043988088 169282136 /nfs/dbraw/zinc/28/21/36/169282136.db2.gz BHDISSCSHSIICV-VXGBXAGGSA-N 1 0 207.321 2.366 10 0 BEAERO CCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000037241595 169282292 /nfs/dbraw/zinc/28/22/92/169282292.db2.gz CQMMMGCCPZRUGE-OAHLLOKOSA-N 1 0 232.371 2.303 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2cccc(OC)c2)C1 ZINC000038077987 169282369 /nfs/dbraw/zinc/28/23/69/169282369.db2.gz YASQKZBBWCGPCB-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2ccco2)C[C@@H]1C ZINC000049708497 169282935 /nfs/dbraw/zinc/28/29/35/169282935.db2.gz USRJVVGMPIKJAQ-GXTWGEPZSA-N 1 0 236.359 2.490 10 0 BEAERO CCC[NH2+][C@@H]1CCc2cccc(O)c2C1 ZINC000027560345 169283205 /nfs/dbraw/zinc/28/32/05/169283205.db2.gz PNYMUTZDLKGATA-LLVKDONJSA-N 1 0 205.301 2.249 10 0 BEAERO c1ccc(Cc2nc([C@H]3CCC[NH2+]C3)no2)cc1 ZINC000062257128 183412565 /nfs/dbraw/zinc/41/25/65/183412565.db2.gz GWXLYROKIGRMIH-LBPRGKRZSA-N 1 0 243.310 2.127 10 0 BEAERO c1ccc(OCCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095092514 183419188 /nfs/dbraw/zinc/41/91/88/183419188.db2.gz IKQUNAOXYALCBG-LBPRGKRZSA-N 1 0 220.316 2.240 10 0 BEAERO CCCO[C@@H]1CCC[N@H+](CC(=O)C(C)(C)C)C1 ZINC000042423750 169310913 /nfs/dbraw/zinc/31/09/13/169310913.db2.gz DXLVHTUIBLGLHU-GFCCVEGCSA-N 1 0 241.375 2.493 10 0 BEAERO CCCO[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000037024945 169311792 /nfs/dbraw/zinc/31/17/92/169311792.db2.gz JZNIIDPUPMUCPZ-CHWSQXEVSA-N 1 0 205.301 2.428 10 0 BEAERO CCCO[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000037024941 169312375 /nfs/dbraw/zinc/31/23/75/169312375.db2.gz JZNIIDPUPMUCPZ-OLZOCXBDSA-N 1 0 205.301 2.428 10 0 BEAERO CCCO[C@@H]1CCCN([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000042421904 169312394 /nfs/dbraw/zinc/31/23/94/169312394.db2.gz FKTDTYVEWWPDFK-HZSPNIEDSA-N 1 0 240.391 2.147 10 0 BEAERO CCCO[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000042424596 169312542 /nfs/dbraw/zinc/31/25/42/169312542.db2.gz OSIDSLGOTNQZDW-AWEZNQCLSA-N 1 0 240.391 2.020 10 0 BEAERO c1ccc([C@@H]2C[C@@H]3[NH2+]CCC[C@H]3O2)cc1 ZINC000319639079 183428626 /nfs/dbraw/zinc/42/86/26/183428626.db2.gz BYHKVRAIUQZFCW-XQQFMLRXSA-N 1 0 203.285 2.269 10 0 BEAERO CCCOc1c(C[NH3+])cnc2ccccc21 ZINC000036913756 169313668 /nfs/dbraw/zinc/31/36/68/169313668.db2.gz JFCKAUVCERPSAW-UHFFFAOYSA-N 1 0 216.284 2.482 10 0 BEAERO CCCOc1c(OC)cc(C[NH2+]C)cc1OC ZINC000035662987 169313892 /nfs/dbraw/zinc/31/38/92/169313892.db2.gz UXYVBTWXDJKQOK-UHFFFAOYSA-N 1 0 239.315 2.212 10 0 BEAERO CCCOc1ccc(-c2nc[nH]c2CC[NH3+])cc1 ZINC000071559917 169316138 /nfs/dbraw/zinc/31/61/38/169316138.db2.gz YPZYAGWKLQXIGV-UHFFFAOYSA-N 1 0 245.326 2.367 10 0 BEAERO CCCOc1ccc(-c2ccc(NN)[nH+]n2)cc1 ZINC000050194158 169316677 /nfs/dbraw/zinc/31/66/77/169316677.db2.gz FBXPRZMIEJPBDR-UHFFFAOYSA-N 1 0 244.298 2.218 10 0 BEAERO CCC[NH2+][C@H]1CCN(C2CCC(C)CC2)C1=O ZINC000049647904 169291349 /nfs/dbraw/zinc/29/13/49/169291349.db2.gz IFAMYHMWTOOBEE-BPCQOVAHSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[NH2+][C@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647800 169291402 /nfs/dbraw/zinc/29/14/02/169291402.db2.gz YEONQCPPXLGMSY-AWEZNQCLSA-N 1 0 246.354 2.408 10 0 BEAERO CCCOc1ccc(C(=O)[C@H](C)[NH2+]C)cc1 ZINC000041610350 169317046 /nfs/dbraw/zinc/31/70/46/169317046.db2.gz IDJVWUDZACURCL-JTQLQIEISA-N 1 0 221.300 2.266 10 0 BEAERO CCCNc1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040687506 169296674 /nfs/dbraw/zinc/29/66/74/169296674.db2.gz ZZWVEMHEPBCYKT-UHFFFAOYSA-N 1 0 244.302 2.019 10 0 BEAERO CCCSCc1ncc(C[NH3+])s1 ZINC000082416541 169340386 /nfs/dbraw/zinc/34/03/86/169340386.db2.gz HXHXYRLLQJKCEP-UHFFFAOYSA-N 1 0 202.348 2.245 10 0 BEAERO c1ccc2nc(SC[C@H]3CCC[NH2+]3)cnc2c1 ZINC000095092719 183459913 /nfs/dbraw/zinc/45/99/13/183459913.db2.gz IZIOZEQDOIGMBQ-SNVBAGLBSA-N 1 0 245.351 2.474 10 0 BEAERO CCCOc1ccc([C@@](C)(O)C[NH2+]CC)cc1 ZINC000033466248 169321329 /nfs/dbraw/zinc/32/13/29/169321329.db2.gz YEDSPFOXKXWXLQ-AWEZNQCLSA-N 1 0 237.343 2.292 10 0 BEAERO CCCOc1ccc([C@@H]([NH3+])Cn2cccn2)cc1 ZINC000019254896 169321446 /nfs/dbraw/zinc/32/14/46/169321446.db2.gz VKCNCBNHUZEWCA-AWEZNQCLSA-N 1 0 245.326 2.372 10 0 BEAERO CCCOc1ccc([C@H](O)CC[NH+](C)C)cc1 ZINC000041145962 169322395 /nfs/dbraw/zinc/32/23/95/169322395.db2.gz SXABRNRUEXPCLH-CQSZACIVSA-N 1 0 237.343 2.461 10 0 BEAERO CCCOc1ccc([C@H]([NH3+])Cn2cccn2)cc1 ZINC000019254898 169322568 /nfs/dbraw/zinc/32/25/68/169322568.db2.gz VKCNCBNHUZEWCA-CQSZACIVSA-N 1 0 245.326 2.372 10 0 BEAERO CCCOc1cccc(-c2nnc(CC[NH3+])o2)c1 ZINC000061668436 169324111 /nfs/dbraw/zinc/32/41/11/169324111.db2.gz KBNAMSNELLPGKJ-UHFFFAOYSA-N 1 0 247.298 2.027 10 0 BEAERO c1ccc2c(c1)ncnc2SC[C@@H]1CC[NH2+]C1 ZINC000051891057 183440536 /nfs/dbraw/zinc/44/05/36/183440536.db2.gz BAZRYIABEREZFU-SNVBAGLBSA-N 1 0 245.351 2.331 10 0 BEAERO CCCOc1cccc2c1O[C@@H](C)[C@@H]2[NH3+] ZINC000043635043 169326526 /nfs/dbraw/zinc/32/65/26/169326526.db2.gz VLOVKLORUIHLOS-KWQFWETISA-N 1 0 207.273 2.256 10 0 BEAERO CCCOc1cccc2c1OC[C@@H]2[NH2+]C ZINC000035655256 169326650 /nfs/dbraw/zinc/32/66/50/169326650.db2.gz CRAMDXIHUCVXIW-JTQLQIEISA-N 1 0 207.273 2.128 10 0 BEAERO c1ccc2c(c1)C[C@@H]([C@H]1CCC[NH2+]1)CN2 ZINC000012357051 183448493 /nfs/dbraw/zinc/44/84/93/183448493.db2.gz GGYJIOPBXKUYGC-DGCLKSJQSA-N 1 0 202.301 2.023 10 0 BEAERO CCC[C@@H](C)[N@H+](C)C[C@H](N)CC(C)C ZINC000036790984 169365839 /nfs/dbraw/zinc/36/58/39/169365839.db2.gz BEZDUEOCINTUGM-VXGBXAGGSA-N 1 0 200.370 2.480 10 0 BEAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339513775 169368731 /nfs/dbraw/zinc/36/87/31/169368731.db2.gz VQUVZDXHZVMHJJ-VXGBXAGGSA-N 1 0 240.391 2.458 10 0 BEAERO CCC[C@@H](C(=O)Nc1ccncc1C)[NH+](C)C ZINC000153519281 169346746 /nfs/dbraw/zinc/34/67/46/169346746.db2.gz ZJMZMYKMDFSWII-LBPRGKRZSA-N 1 0 235.331 2.059 10 0 BEAERO CCC[C@@H](C)C(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000020251994 169347537 /nfs/dbraw/zinc/34/75/37/169347537.db2.gz QDJZWGBBFZTKNV-OLZOCXBDSA-N 1 0 240.391 2.413 10 0 BEAERO CCC[C@@H](C)C[N@H+](C)CCCC(=O)OC ZINC000051323752 169358401 /nfs/dbraw/zinc/35/84/01/169358401.db2.gz JYISCFDUPOMVAB-LLVKDONJSA-N 1 0 215.337 2.308 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000336750780 169359701 /nfs/dbraw/zinc/35/97/01/169359701.db2.gz ZUJSOYFZAVYTEP-GHMZBOCLSA-N 1 0 221.348 2.293 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502507 169360020 /nfs/dbraw/zinc/36/00/20/169360020.db2.gz XVLQHBMVDIJLFA-CHWSQXEVSA-N 1 0 212.381 2.497 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@H](C)Cn1cccn1 ZINC000037154461 169360951 /nfs/dbraw/zinc/36/09/51/169360951.db2.gz TXVJFZHZTFGNCI-VXGBXAGGSA-N 1 0 209.337 2.297 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(C)[C@H](C)CC(C)C ZINC000037807332 169387240 /nfs/dbraw/zinc/38/72/40/169387240.db2.gz WYAHNZWIXDYMGM-GHMZBOCLSA-N 1 0 214.353 2.007 10 0 BEAERO CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000366519798 169371224 /nfs/dbraw/zinc/37/12/24/169371224.db2.gz OFFQJEOMWGRXSZ-IJLUTSLNSA-N 1 0 247.404 2.120 10 0 BEAERO CCC[C@@H](C)[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000328642930 169371562 /nfs/dbraw/zinc/37/15/62/169371562.db2.gz RFCRDRRIMFYAAX-WOPDTQHZSA-N 1 0 237.347 2.028 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700303 169394123 /nfs/dbraw/zinc/39/41/23/169394123.db2.gz AMXNXKFYSJOSGF-SSDOTTSWSA-N 1 0 222.317 2.333 10 0 BEAERO C[C@H](N[C@@H]1CC[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000222740872 134333910 /nfs/dbraw/zinc/33/39/10/134333910.db2.gz IPOXUOZTSRRLTI-QJPTWQEYSA-N 1 0 222.332 2.413 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1([S@@](C)=O)CC1 ZINC000309439183 169418147 /nfs/dbraw/zinc/41/81/47/169418147.db2.gz IADIXYPTGFUHIK-BFQNTYOBSA-N 1 0 243.416 2.456 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000336714497 169534959 /nfs/dbraw/zinc/53/49/59/169534959.db2.gz RYXAIYDLCSUGRW-QWRGUYRKSA-N 1 0 243.301 2.426 10 0 BEAERO CCCc1nc([C@]2([NH3+])CCCC[C@@H]2C)no1 ZINC000036763329 169593607 /nfs/dbraw/zinc/59/36/07/169593607.db2.gz FNTXJOJVFNOICU-CABZTGNLSA-N 1 0 223.320 2.386 10 0 BEAERO CCN(CC[NH2+]CCCOC)c1ccccc1 ZINC000053344590 169845027 /nfs/dbraw/zinc/84/50/27/169845027.db2.gz NMYRHZROHQAPCF-UHFFFAOYSA-N 1 0 236.359 2.139 10 0 BEAERO CCN(C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000055126416 169637621 /nfs/dbraw/zinc/63/76/21/169637621.db2.gz ONVDBOSNUHNLMO-VXGBXAGGSA-N 1 0 226.364 2.151 10 0 BEAERO CC[C@@H]1COCCN1[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901641 171107988 /nfs/dbraw/zinc/10/79/88/171107988.db2.gz LEJMURHPEZXTTM-BPLDGKMQSA-N 1 0 248.370 2.186 10 0 BEAERO CCN(C(=O)[C@@H](C)CCC[NH3+])c1ccccc1 ZINC000076616937 169647352 /nfs/dbraw/zinc/64/73/52/169647352.db2.gz ZIUIUQTWIZZVAY-LBPRGKRZSA-N 1 0 234.343 2.415 10 0 BEAERO COc1cc(F)ccc1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400479781 532951291 /nfs/dbraw/zinc/95/12/91/532951291.db2.gz FFRPUVGEKAXSSM-ZJUUUORDSA-N 1 0 238.306 2.244 10 0 BEAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCSC2)o1 ZINC000226402957 134365450 /nfs/dbraw/zinc/36/54/50/134365450.db2.gz UBQAAFKOXHYLQF-VHSXEESVSA-N 1 0 226.345 2.387 10 0 BEAERO COC1(C[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000336419622 383836552 /nfs/dbraw/zinc/83/65/52/383836552.db2.gz YBVTUAVIIPNWTJ-VXGBXAGGSA-N 1 0 227.348 2.055 10 0 BEAERO CC(C)[C@@H]([NH3+])COc1cc(F)cc(F)c1 ZINC000087534543 383848394 /nfs/dbraw/zinc/84/83/94/383848394.db2.gz CBXMJDWMMZKIAL-NSHDSACASA-N 1 0 215.243 2.327 10 0 BEAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)O ZINC000035112592 383830024 /nfs/dbraw/zinc/83/00/24/383830024.db2.gz YPLFTNWYFSSQHA-QNWHQSFQSA-N 1 0 213.365 2.418 10 0 BEAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC2)cc1 ZINC000035132983 383831219 /nfs/dbraw/zinc/83/12/19/383831219.db2.gz ZAUWMSONGPHYEO-LLVKDONJSA-N 1 0 246.354 2.178 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCOC1)c1c(C)noc1C ZINC000131559864 383833862 /nfs/dbraw/zinc/83/38/62/383833862.db2.gz LSMILFBMAWTRQK-QWRGUYRKSA-N 1 0 224.304 2.121 10 0 BEAERO [NH3+]Cc1cccc(NC(=O)N2CCCCC2)c1 ZINC000036720858 383907571 /nfs/dbraw/zinc/90/75/71/383907571.db2.gz VZKNMQDCOUZALW-UHFFFAOYSA-N 1 0 233.315 2.163 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CC2)cc1C ZINC000036782346 383911354 /nfs/dbraw/zinc/91/13/54/383911354.db2.gz GIZMVZZTWPMCIP-GFCCVEGCSA-N 1 0 246.354 2.233 10 0 BEAERO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(F)cc1 ZINC000036901156 383916874 /nfs/dbraw/zinc/91/68/74/383916874.db2.gz LUTVYSQUSUJAIG-JTQLQIEISA-N 1 0 233.290 2.410 10 0 BEAERO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000113364355 383980659 /nfs/dbraw/zinc/98/06/59/383980659.db2.gz AKOASRORRSOBSG-GFCCVEGCSA-N 1 0 247.342 2.102 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CC3=CCCC3)C[C@H]2C1 ZINC000401132544 383981236 /nfs/dbraw/zinc/98/12/36/383981236.db2.gz XJRKDTBYOXWHEN-BFHYXJOUSA-N 1 0 221.344 2.190 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089733351 383991332 /nfs/dbraw/zinc/99/13/32/383991332.db2.gz UVQYJOJRQLQJEI-OLZOCXBDSA-N 1 0 248.374 2.080 10 0 BEAERO COCc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000089161717 383939379 /nfs/dbraw/zinc/93/93/79/383939379.db2.gz HGBNHZXKTYOYMS-GJZGRUSLSA-N 1 0 249.354 2.084 10 0 BEAERO [NH3+]CCc1n[nH]c2cccc(C(F)(F)F)c21 ZINC000089195781 383940750 /nfs/dbraw/zinc/94/07/50/383940750.db2.gz VZTAANVFMDDSJK-UHFFFAOYSA-N 1 0 229.205 2.083 10 0 BEAERO [NH3+][C@@H](COC(F)(F)F)c1ccc(F)cc1 ZINC000068576565 384000000 /nfs/dbraw/zinc/00/00/00/384000000.db2.gz ATUOJAPWMKZKJZ-QMMMGPOBSA-N 1 0 223.169 2.362 10 0 BEAERO [NH3+][C@H](COC(F)(F)F)c1ccc(F)cc1 ZINC000068576563 384000156 /nfs/dbraw/zinc/00/01/56/384000156.db2.gz ATUOJAPWMKZKJZ-MRVPVSSYSA-N 1 0 223.169 2.362 10 0 BEAERO Cc1ccc(O)c(C[NH2+]CCc2ccsc2)n1 ZINC000112716486 383945118 /nfs/dbraw/zinc/94/51/18/383945118.db2.gz ULGYDKQVIZVTMV-UHFFFAOYSA-N 1 0 248.351 2.489 10 0 BEAERO FC(F)(F)c1cccc(C2=[NH+]CCN2)c1 ZINC000090397902 384044224 /nfs/dbraw/zinc/04/42/24/384044224.db2.gz QWEAIEORRUSCQV-UHFFFAOYSA-N 1 0 214.190 2.055 10 0 BEAERO [NH3+]Cc1ccc([C@H](O)c2ccsc2)s1 ZINC000090397629 384044435 /nfs/dbraw/zinc/04/44/35/384044435.db2.gz GEUUISKLTZNDTJ-SNVBAGLBSA-N 1 0 225.338 2.350 10 0 BEAERO FC(F)(F)c1ccnc(OC2CC[NH2+]CC2)c1 ZINC000090394383 384045746 /nfs/dbraw/zinc/04/57/46/384045746.db2.gz ZABINCNOQHWBJV-UHFFFAOYSA-N 1 0 246.232 2.231 10 0 BEAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000077204317 384053519 /nfs/dbraw/zinc/05/35/19/384053519.db2.gz DLZXIKZINKDVKN-VXGBXAGGSA-N 1 0 225.357 2.389 10 0 BEAERO CN(C)C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000090994270 384089516 /nfs/dbraw/zinc/08/95/16/384089516.db2.gz ASBUVUIGFNIVLE-OAHLLOKOSA-N 1 0 243.354 2.407 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)C)o1 ZINC000038097640 384071068 /nfs/dbraw/zinc/07/10/68/384071068.db2.gz BALNCZDQMVXALC-RYUDHWBXSA-N 1 0 241.331 2.025 10 0 BEAERO CCO[C@@]1(c2ccco2)CC[NH2+]C[C@H]1C ZINC000039099620 384103809 /nfs/dbraw/zinc/10/38/09/384103809.db2.gz HKOZBYYRUBFSPP-PWSUYJOCSA-N 1 0 209.289 2.141 10 0 BEAERO C[NH+](C)C[C@H]1c2cc(O)ccc2OC1(C)C ZINC000039110387 384105350 /nfs/dbraw/zinc/10/53/50/384105350.db2.gz CIGNZTOIDUDWON-NSHDSACASA-N 1 0 221.300 2.208 10 0 BEAERO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000091252262 384112046 /nfs/dbraw/zinc/11/20/46/384112046.db2.gz NYPPQRSVUJQKTO-UWVGGRQHSA-N 1 0 228.336 2.029 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)[C@H]1CCOC1 ZINC000310288818 384116643 /nfs/dbraw/zinc/11/66/43/384116643.db2.gz IBGBMMDGIVYJMS-FQUUOJAGSA-N 1 0 241.375 2.085 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)C(C)(C)CC ZINC000227907106 134398879 /nfs/dbraw/zinc/39/88/79/134398879.db2.gz JPXKROIRITYCAC-LBPRGKRZSA-N 1 0 231.380 2.284 10 0 BEAERO CCCCNC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000042213323 384207631 /nfs/dbraw/zinc/20/76/31/384207631.db2.gz BPOHITFLVLKNEN-JTQLQIEISA-N 1 0 240.372 2.315 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282316765 384234994 /nfs/dbraw/zinc/23/49/94/384234994.db2.gz KUJBVCHMJLBQOV-GXTWGEPZSA-N 1 0 246.354 2.060 10 0 BEAERO [NH3+]Cc1csc(CCc2ccccc2)n1 ZINC000042406968 384216908 /nfs/dbraw/zinc/21/69/08/384216908.db2.gz RDDFEYQFJDAJOD-UHFFFAOYSA-N 1 0 218.325 2.387 10 0 BEAERO C[C@@H](O)CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000118998901 384224083 /nfs/dbraw/zinc/22/40/83/384224083.db2.gz BAZVFHIHNMQVOS-NOZJJQNGSA-N 1 0 223.291 2.174 10 0 BEAERO C[C@@H](O)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000119053453 384227843 /nfs/dbraw/zinc/22/78/43/384227843.db2.gz XWIUBFDFGARWBT-RNCFNFMXSA-N 1 0 223.291 2.174 10 0 BEAERO FCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000132869073 384256991 /nfs/dbraw/zinc/25/69/91/384256991.db2.gz RIMLPJQAWQIFCJ-GFCCVEGCSA-N 1 0 237.322 2.175 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)cn1 ZINC000385089100 384258530 /nfs/dbraw/zinc/25/85/30/384258530.db2.gz JKWYQPVJOHCFNM-CBAPKCEASA-N 1 0 245.248 2.026 10 0 BEAERO CCCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082725895 384259850 /nfs/dbraw/zinc/25/98/50/384259850.db2.gz UINDLKHKOGOFOF-STQMWFEESA-N 1 0 210.365 2.345 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000304392235 384268504 /nfs/dbraw/zinc/26/85/04/384268504.db2.gz MTUOSQOCTKUKFB-GFCCVEGCSA-N 1 0 239.388 2.067 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000314715973 384280537 /nfs/dbraw/zinc/28/05/37/384280537.db2.gz NCZPNKKWUZIMAB-OLZOCXBDSA-N 1 0 221.348 2.131 10 0 BEAERO Cc1ccnc(N[C@H](C)CCCC[NH3+])c1 ZINC000308833969 384335704 /nfs/dbraw/zinc/33/57/04/384335704.db2.gz KLZBGAUJVYGMIJ-LLVKDONJSA-N 1 0 207.321 2.319 10 0 BEAERO Clc1cc(SCC2CC[NH2+]CC2)ncn1 ZINC000095070457 384337087 /nfs/dbraw/zinc/33/70/87/384337087.db2.gz HXJPWIMPWXQREB-UHFFFAOYSA-N 1 0 243.763 2.222 10 0 BEAERO Clc1nccc(SCC2CC[NH2+]CC2)n1 ZINC000095070187 384337266 /nfs/dbraw/zinc/33/72/66/384337266.db2.gz NQYJJSLAKJRPLB-UHFFFAOYSA-N 1 0 243.763 2.222 10 0 BEAERO Clc1nccc(SC[C@H]2CCCC[NH2+]2)n1 ZINC000095070180 384337387 /nfs/dbraw/zinc/33/73/87/384337387.db2.gz HYYISWWZPLFDFO-MRVPVSSYSA-N 1 0 243.763 2.364 10 0 BEAERO CN(C[C@H]1CC[NH2+]C1)c1nc2ccccc2s1 ZINC000095071265 384338443 /nfs/dbraw/zinc/33/84/43/384338443.db2.gz IBSMRRBDAHMHJO-JTQLQIEISA-N 1 0 247.367 2.342 10 0 BEAERO [NH3+]C[C@@H]1CCCN1c1nsc2ccccc21 ZINC000095072613 384343759 /nfs/dbraw/zinc/34/37/59/384343759.db2.gz IWSLBYDZBYJJLV-VIFPVBQESA-N 1 0 233.340 2.224 10 0 BEAERO [NH3+][C@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC000075882227 384345434 /nfs/dbraw/zinc/34/54/34/384345434.db2.gz ZWVVBZKECWRDKB-QMMMGPOBSA-N 1 0 233.189 2.368 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000335583391 384346257 /nfs/dbraw/zinc/34/62/57/384346257.db2.gz XCYRGRLRQMPTPA-WPRPVWTQSA-N 1 0 225.723 2.274 10 0 BEAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(C)cc1 ZINC000095075887 384351374 /nfs/dbraw/zinc/35/13/74/384351374.db2.gz AJJLKVPXIJBVJJ-KBPBESRZSA-N 1 0 219.328 2.162 10 0 BEAERO O=C1Nc2ccccc2CN1C[C@H]1CCCC[NH2+]1 ZINC000095077843 384353741 /nfs/dbraw/zinc/35/37/41/384353741.db2.gz GIBMUUCURRFUOQ-GFCCVEGCSA-N 1 0 245.326 2.176 10 0 BEAERO c1ccc2c(c1)CN([C@H]1CCC[NH2+]C1)N=N2 ZINC000095082679 384358834 /nfs/dbraw/zinc/35/88/34/384358834.db2.gz PKCXAXARBXZQFB-NSHDSACASA-N 1 0 216.288 2.253 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1CNC(F)(F)F ZINC000095088273 384361180 /nfs/dbraw/zinc/36/11/80/384361180.db2.gz RHLZBUPWYMQHMY-SECBINFHSA-N 1 0 224.270 2.359 10 0 BEAERO c1cncc(CSC[C@H]2CCC[NH2+]C2)c1 ZINC000095092750 384362996 /nfs/dbraw/zinc/36/29/96/384362996.db2.gz CTIVYBFOMMPFAH-LBPRGKRZSA-N 1 0 222.357 2.314 10 0 BEAERO c1ncc(CS[C@@H]2CCC[NH2+]C2)s1 ZINC000095092731 384363030 /nfs/dbraw/zinc/36/30/30/384363030.db2.gz DWJZGOOWJPEUMP-MRVPVSSYSA-N 1 0 214.359 2.128 10 0 BEAERO c1cncc(CSC2CC[NH2+]CC2)c1 ZINC000095092733 384363498 /nfs/dbraw/zinc/36/34/98/384363498.db2.gz MEVDKXKPOTWZNX-UHFFFAOYSA-N 1 0 208.330 2.067 10 0 BEAERO c1ncc(CSC[C@H]2CCC[NH2+]C2)s1 ZINC000095092767 384363942 /nfs/dbraw/zinc/36/39/42/384363942.db2.gz QNMAJVOLZPPITQ-VIFPVBQESA-N 1 0 228.386 2.376 10 0 BEAERO C[C@@H](N[C@H]1CCCC[C@@H]1[NH3+])c1nccs1 ZINC000095068327 384330727 /nfs/dbraw/zinc/33/07/27/384330727.db2.gz QFBAZHKNXKPXAC-UTLUCORTSA-N 1 0 225.361 2.064 10 0 BEAERO Cc1ccc(SC[C@@H]2CCCC[NH2+]2)nn1 ZINC000095069152 384331611 /nfs/dbraw/zinc/33/16/11/384331611.db2.gz LNKFZEAEPLJEKR-JTQLQIEISA-N 1 0 223.345 2.019 10 0 BEAERO Cc1ccc(SC[C@H]2CC[NH2+]C2)nc1 ZINC000095069163 384332189 /nfs/dbraw/zinc/33/21/89/384332189.db2.gz ODFPRHCMQIMSBG-JTQLQIEISA-N 1 0 208.330 2.092 10 0 BEAERO Clc1ccc(COC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095069851 384333654 /nfs/dbraw/zinc/33/36/54/384333654.db2.gz UGWUXAHBKBEBOS-NSHDSACASA-N 1 0 240.734 2.394 10 0 BEAERO Cc1ccnc(OCCC[C@H]2CCCC[NH2+]2)n1 ZINC000095069414 384334004 /nfs/dbraw/zinc/33/40/04/384334004.db2.gz SSJMPPOEDFJCAR-GFCCVEGCSA-N 1 0 235.331 2.086 10 0 BEAERO Clc1cnc(SCC2CC[NH2+]CC2)nc1 ZINC000095070077 384334136 /nfs/dbraw/zinc/33/41/36/384334136.db2.gz SOISXHFUHIMHMR-UHFFFAOYSA-N 1 0 243.763 2.222 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)[C@H](C)CO ZINC000134123305 384334706 /nfs/dbraw/zinc/33/47/06/384334706.db2.gz OLEZZXWKRHSMOL-MXWKQRLJSA-N 1 0 225.307 2.493 10 0 BEAERO Cc1cnc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)o1 ZINC000400528578 384409043 /nfs/dbraw/zinc/40/90/43/384409043.db2.gz GSPWZYLKDNRJAA-VXGBXAGGSA-N 1 0 238.331 2.450 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000084228585 384379255 /nfs/dbraw/zinc/37/92/55/384379255.db2.gz QUHRGDPTTLDBCR-JQWIXIFHSA-N 1 0 225.357 2.307 10 0 BEAERO CC(C)(C)OC(=O)N1CC[NH2+]CC12CCCC2 ZINC000095642297 384385807 /nfs/dbraw/zinc/38/58/07/384385807.db2.gz ZFRIOZGQSDKGRT-UHFFFAOYSA-N 1 0 240.347 2.140 10 0 BEAERO C[C@H](CO)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000135615387 384455766 /nfs/dbraw/zinc/45/57/66/384455766.db2.gz ABAKYZNVJONGSJ-LLVKDONJSA-N 1 0 230.311 2.047 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000135300525 384435173 /nfs/dbraw/zinc/43/51/73/384435173.db2.gz UBSCRJBEUIZFKU-HOSYDEDBSA-N 1 0 249.310 2.243 10 0 BEAERO CCSCC[NH2+]Cc1cn2c(n1)CCCC2 ZINC000276286376 384438988 /nfs/dbraw/zinc/43/89/88/384438988.db2.gz SKVDLWKXXCOCMG-UHFFFAOYSA-N 1 0 239.388 2.062 10 0 BEAERO CC(C)C[C@@H](N)C[N@H+](C)[C@@H](C)C(C)C ZINC000036787576 384459722 /nfs/dbraw/zinc/45/97/22/384459722.db2.gz IUDVKICZHWJTJD-NWDGAFQWSA-N 1 0 200.370 2.336 10 0 BEAERO COC(=O)CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114493631 384461394 /nfs/dbraw/zinc/46/13/94/384461394.db2.gz UCPQSRQMPMVFCV-CQSZACIVSA-N 1 0 237.343 2.372 10 0 BEAERO COC(=O)CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114493629 384461602 /nfs/dbraw/zinc/46/16/02/384461602.db2.gz UCPQSRQMPMVFCV-AWEZNQCLSA-N 1 0 237.343 2.372 10 0 BEAERO C[C@H]1SCC[N@H+](C2CCC(=O)CC2)[C@H]1C ZINC000157264090 384462755 /nfs/dbraw/zinc/46/27/55/384462755.db2.gz VWCZOFRGTBOMHX-VHSXEESVSA-N 1 0 227.373 2.324 10 0 BEAERO CCC[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000079062042 384483346 /nfs/dbraw/zinc/48/33/46/384483346.db2.gz BAMYGGQXKJSJMT-CQSZACIVSA-N 1 0 218.344 2.261 10 0 BEAERO CCC[C@H](C)C[NH2+][C@H](C)Cn1ccnc1 ZINC000037156843 384484676 /nfs/dbraw/zinc/48/46/76/384484676.db2.gz LMELOVQSELIKJT-NWDGAFQWSA-N 1 0 209.337 2.297 10 0 BEAERO CC[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097044661 384491355 /nfs/dbraw/zinc/49/13/55/384491355.db2.gz AYMTYFLCEWPTPS-OCCSQVGLSA-N 1 0 248.370 2.452 10 0 BEAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1 ZINC000054929481 384514441 /nfs/dbraw/zinc/51/44/41/384514441.db2.gz JJRAWPBAEDZOAD-RYUDHWBXSA-N 1 0 229.270 2.372 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(F)c2)C1 ZINC000334746000 384557934 /nfs/dbraw/zinc/55/79/34/384557934.db2.gz MQRFFHIJIGLGHS-ZWNOBZJWSA-N 1 0 223.291 2.028 10 0 BEAERO Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000123173963 384540127 /nfs/dbraw/zinc/54/01/27/384540127.db2.gz UYOFXDPWPNPQPT-QWHCGFSZSA-N 1 0 221.344 2.410 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000123685470 384579227 /nfs/dbraw/zinc/57/92/27/384579227.db2.gz PPHSXTAGSVWOHM-AWEZNQCLSA-N 1 0 237.318 2.345 10 0 BEAERO CC[C@]1(CNC(=O)OC(C)(C)C)CCC[NH2+]1 ZINC000238309994 384588034 /nfs/dbraw/zinc/58/80/34/384588034.db2.gz FSKFLEIFYFJLQF-GFCCVEGCSA-N 1 0 228.336 2.043 10 0 BEAERO Cc1cc(C)cc(CC[NH2+]Cc2ncc[nH]2)c1 ZINC000124056833 384611167 /nfs/dbraw/zinc/61/11/67/384611167.db2.gz BNBSJEMWCIHFJJ-UHFFFAOYSA-N 1 0 229.327 2.359 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000020306290 384613745 /nfs/dbraw/zinc/61/37/45/384613745.db2.gz YPOCQUYHRNOSLH-LBPRGKRZSA-N 1 0 244.342 2.401 10 0 BEAERO CC/C=C/CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000184556725 384617570 /nfs/dbraw/zinc/61/75/70/384617570.db2.gz ZMDOGQRAJGNCBB-XGACYXMMSA-N 1 0 248.374 2.346 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403324833 384633384 /nfs/dbraw/zinc/63/33/84/384633384.db2.gz BFUJCSMTHSVYJK-RQJABVFESA-N 1 0 222.376 2.106 10 0 BEAERO [NH3+]C[C@@H]1CCc2ccc(Br)cc21 ZINC000098181448 384600681 /nfs/dbraw/zinc/60/06/81/384600681.db2.gz FRZFLPHVIGEFPD-QMMMGPOBSA-N 1 0 226.117 2.438 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC2)c1 ZINC000160223913 384665762 /nfs/dbraw/zinc/66/57/62/384665762.db2.gz ZAYSTHHSEFVCPR-VXGBXAGGSA-N 1 0 246.354 2.313 10 0 BEAERO COc1ccc(C[C@@H](C)[NH+](C)C)cc1OC ZINC000169322876 384669802 /nfs/dbraw/zinc/66/98/02/384669802.db2.gz KRNRFVKFPWEACF-SNVBAGLBSA-N 1 0 223.316 2.196 10 0 BEAERO COC[C@H](COc1cccc(C)c1)[NH2+]C(C)C ZINC000169332486 384673854 /nfs/dbraw/zinc/67/38/54/384673854.db2.gz RHRUQMKLQAWIIV-CYBMUJFWSA-N 1 0 237.343 2.387 10 0 BEAERO c1ccc([C@H]2OC[C@@H]([C@H]3CCCC[NH2+]3)O2)cc1 ZINC000100381553 384638152 /nfs/dbraw/zinc/63/81/52/384638152.db2.gz XKGUUISNOPCNKA-RDBSUJKOSA-N 1 0 233.311 2.243 10 0 BEAERO c1[nH]c(Cc2ccccc2)nc1C1CC[NH2+]CC1 ZINC000082048222 384643604 /nfs/dbraw/zinc/64/36/04/384643604.db2.gz WKHLVNQRMVMRLG-UHFFFAOYSA-N 1 0 241.338 2.468 10 0 BEAERO CCc1ccc([C@@H]([NH3+])C2CCOCC2)o1 ZINC000061672293 384651769 /nfs/dbraw/zinc/65/17/69/384651769.db2.gz SPOCIDCEFGEMJV-LBPRGKRZSA-N 1 0 209.289 2.268 10 0 BEAERO CCC[NH2+]CCN(C)Cc1ccccc1 ZINC000044380455 384655718 /nfs/dbraw/zinc/65/57/18/384655718.db2.gz BUTZAYONVCADBH-UHFFFAOYSA-N 1 0 206.333 2.118 10 0 BEAERO C[C@H]([NH3+])c1ncccc1NC(=O)OC(C)(C)C ZINC000238437203 384658504 /nfs/dbraw/zinc/65/85/04/384658504.db2.gz LBHVZPGKBCQRMV-QMMMGPOBSA-N 1 0 237.303 2.448 10 0 BEAERO COc1ccc(N[C@@H](C)C[NH3+])cc1Cl ZINC000234874102 384678923 /nfs/dbraw/zinc/67/89/23/384678923.db2.gz ZLIHARPWNYONCM-ZETCQYMHSA-N 1 0 214.696 2.108 10 0 BEAERO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000053883627 384726809 /nfs/dbraw/zinc/72/68/09/384726809.db2.gz XFKXGZQCYZOUKG-WXHSDQCUSA-N 1 0 211.349 2.268 10 0 BEAERO Cc1nnsc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309895568 384698015 /nfs/dbraw/zinc/69/80/15/384698015.db2.gz FUEYCPUAXDRDGP-ZJUUUORDSA-N 1 0 243.351 2.464 10 0 BEAERO Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309895565 384698047 /nfs/dbraw/zinc/69/80/47/384698047.db2.gz FUEYCPUAXDRDGP-NXEZZACHSA-N 1 0 243.351 2.464 10 0 BEAERO CC(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000076647145 384698366 /nfs/dbraw/zinc/69/83/66/384698366.db2.gz GMILKAIXHXFOEF-KGLIPLIRSA-N 1 0 218.344 2.102 10 0 BEAERO CSCCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173650724 384707890 /nfs/dbraw/zinc/70/78/90/384707890.db2.gz IINJVQYAWYPBJC-GFCCVEGCSA-N 1 0 239.388 2.310 10 0 BEAERO C[C@H]([NH2+]CC(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000021961556 384709278 /nfs/dbraw/zinc/70/92/78/384709278.db2.gz RMJGMAXAQOEQNO-JTQLQIEISA-N 1 0 234.343 2.120 10 0 BEAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1cnc2ccccc2n1 ZINC000052017832 384709952 /nfs/dbraw/zinc/70/99/52/384709952.db2.gz YRZBEZNTCNWSDH-MNOVXSKESA-N 1 0 242.326 2.312 10 0 BEAERO C[NH2+][C@@H]1c2cc(OC)ccc2S[C@H]1C ZINC000043635777 384727698 /nfs/dbraw/zinc/72/76/98/384727698.db2.gz ZSUSJAPGVVAWIF-CPCISQLKSA-N 1 0 209.314 2.450 10 0 BEAERO C[C@H]1Oc2ccc(Br)cc2[C@@H]1[NH3+] ZINC000043635069 384720688 /nfs/dbraw/zinc/72/06/88/384720688.db2.gz UKVOIDKDARSJLE-MLUIRONXSA-N 1 0 228.089 2.230 10 0 BEAERO C[NH2+][C@@H]1c2cccc(Br)c2O[C@H]1C ZINC000043634685 384722043 /nfs/dbraw/zinc/72/20/43/384722043.db2.gz TVLOVFRBPVEHKO-RCOVLWMOSA-N 1 0 242.116 2.491 10 0 BEAERO C[C@H]1Oc2c(cc(F)cc2Br)[C@H]1[NH3+] ZINC000043635010 384722310 /nfs/dbraw/zinc/72/23/10/384722310.db2.gz DSSJDNLFGWUGSY-VHWMUFPASA-N 1 0 246.079 2.369 10 0 BEAERO C[NH2+][C@@H]1c2cc(Br)ccc2O[C@H]1C ZINC000043635073 384722484 /nfs/dbraw/zinc/72/24/84/384722484.db2.gz UMQWKRFDGMCMJB-WKEGUHRASA-N 1 0 242.116 2.491 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C1CCCC1 ZINC000086930671 384722704 /nfs/dbraw/zinc/72/27/04/384722704.db2.gz IBSXMLRMFKTHFE-WCQYABFASA-N 1 0 208.349 2.098 10 0 BEAERO C/C=C/[N@H+](C)CCC[C@@H](O)c1cccnc1 ZINC000103584006 384778943 /nfs/dbraw/zinc/77/89/43/384778943.db2.gz FXHQYUYOAGYBTE-XOUYHXJHSA-N 1 0 220.316 2.361 10 0 in-vitro BEAERO C[C@H]([NH3+])CCc1ccc(F)c(F)c1F ZINC000044463487 384734422 /nfs/dbraw/zinc/73/44/22/384734422.db2.gz XSNNAHJLUIFEOL-LURJTMIESA-N 1 0 203.207 2.384 10 0 BEAERO CCOC[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000309960847 384742073 /nfs/dbraw/zinc/74/20/73/384742073.db2.gz LBAXXAOIBYQOMJ-QJPTWQEYSA-N 1 0 229.364 2.205 10 0 BEAERO C[C@H]1C[C@H](O)C[N@H+](Cc2nc3ccccc3o2)C1 ZINC000334827495 384742589 /nfs/dbraw/zinc/74/25/89/384742589.db2.gz QRNYNJFDCZWSGO-QWRGUYRKSA-N 1 0 246.310 2.031 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)c(C)c1 ZINC000125766283 384748742 /nfs/dbraw/zinc/74/87/42/384748742.db2.gz ARDBVGSRGLPKMP-STQMWFEESA-N 1 0 221.344 2.410 10 0 BEAERO CC(C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052852866 384750225 /nfs/dbraw/zinc/75/02/25/384750225.db2.gz SDLUVJBMFMRGAJ-ZDUSSCGKSA-N 1 0 234.343 2.062 10 0 BEAERO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000083218362 384751605 /nfs/dbraw/zinc/75/16/05/384751605.db2.gz WIOTVJOXOPQTNT-BDAKNGLRSA-N 1 0 229.270 2.244 10 0 BEAERO C[C@@H](CO)C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000083215463 384752097 /nfs/dbraw/zinc/75/20/97/384752097.db2.gz DDAKQAVSPSANPX-RKDXNWHRSA-N 1 0 229.270 2.244 10 0 BEAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000163179265 384762919 /nfs/dbraw/zinc/76/29/19/384762919.db2.gz RUGNOGCTQBZGMN-MELADBBJSA-N 1 0 223.360 2.412 10 0 BEAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@@H]3CCCO3)C2)c1 ZINC000105900968 384815886 /nfs/dbraw/zinc/81/58/86/384815886.db2.gz UUFJOKAYXUBXFD-KGLIPLIRSA-N 1 0 249.358 2.007 10 0 BEAERO Cc1cnn([C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000105901178 384816755 /nfs/dbraw/zinc/81/67/55/384816755.db2.gz PILHJCCVMQHRBX-ZDUSSCGKSA-N 1 0 221.348 2.484 10 0 BEAERO c1ccc2c(c1)OC[C@@H]2[NH2+]CC1=CCCOC1 ZINC000127069591 384837671 /nfs/dbraw/zinc/83/76/71/384837671.db2.gz XGLBSCZEDXLRBF-ZDUSSCGKSA-N 1 0 231.295 2.056 10 0 BEAERO CCCC[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000310018628 384787354 /nfs/dbraw/zinc/78/73/54/384787354.db2.gz MBRBERACOFPLOY-RYUDHWBXSA-N 1 0 221.348 2.366 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1F ZINC000048775661 384787643 /nfs/dbraw/zinc/78/76/43/384787643.db2.gz CUGDAKOCBVWXAG-ZCFIWIBFSA-N 1 0 230.670 2.026 10 0 BEAERO CSC[C@@H]([NH3+])c1ccc(F)c(F)c1F ZINC000061838755 384790051 /nfs/dbraw/zinc/79/00/51/384790051.db2.gz OVNFQYFOAPRWOT-SSDOTTSWSA-N 1 0 221.247 2.467 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000310038294 384805224 /nfs/dbraw/zinc/80/52/24/384805224.db2.gz VYKLFGNBUGJACF-DGCLKSJQSA-N 1 0 221.348 2.479 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000310038295 384805422 /nfs/dbraw/zinc/80/54/22/384805422.db2.gz VYKLFGNBUGJACF-WCQYABFASA-N 1 0 221.348 2.479 10 0 BEAERO C[C@@H]1Sc2c(c(F)ccc2F)[C@@H]1[NH3+] ZINC000043641005 384808029 /nfs/dbraw/zinc/80/80/29/384808029.db2.gz ZPWJGQHUSPVZDI-RNHFCUEFSA-N 1 0 201.241 2.459 10 0 BEAERO CN(Cc1cscn1)C[C@@H]1CCCC[C@@H]1O ZINC000053884934 384811284 /nfs/dbraw/zinc/81/12/84/384811284.db2.gz AKDPIXAWLAWNAA-JQWIXIFHSA-N 1 0 240.372 2.126 10 0 BEAERO Cc1c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cnn1C ZINC000403827577 384873915 /nfs/dbraw/zinc/87/39/15/384873915.db2.gz MHXISXYIBHLRIH-GMXVVIOVSA-N 1 0 219.332 2.007 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCn1cccn1 ZINC000336672116 384841687 /nfs/dbraw/zinc/84/16/87/384841687.db2.gz HKZJHSOROMKXSK-NEPJUHHUSA-N 1 0 225.311 2.001 10 0 BEAERO C/C=C/C=C\C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000255572057 384857080 /nfs/dbraw/zinc/85/70/80/384857080.db2.gz LOMMUZCFKRPZQI-BEHUGTBISA-N 1 0 248.370 2.204 10 0 BEAERO CCC(C)(C)NC(=O)C[N@H+](C)C1CCCC1 ZINC000053436282 384858825 /nfs/dbraw/zinc/85/88/25/384858825.db2.gz QEKDRGRHEZCIOG-UHFFFAOYSA-N 1 0 226.364 2.166 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000127069920 384861401 /nfs/dbraw/zinc/86/14/01/384861401.db2.gz GBKOXFHYLSESOP-BNOWGMLFSA-N 1 0 219.328 2.293 10 0 BEAERO CCSCC[C@@H](C)[NH2+]Cc1cncnc1 ZINC000127488576 384865679 /nfs/dbraw/zinc/86/56/79/384865679.db2.gz SODUTZUNWWKYGL-SNVBAGLBSA-N 1 0 225.361 2.098 10 0 BEAERO Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2CO)n1 ZINC000164268021 384952325 /nfs/dbraw/zinc/95/23/25/384952325.db2.gz WBUPVUASEKFPGM-MNOVXSKESA-N 1 0 240.372 2.092 10 0 BEAERO c1c2ccccc2oc1CNC[C@H]1CC[NH2+]C1 ZINC000398290152 384891037 /nfs/dbraw/zinc/89/10/37/384891037.db2.gz LCPPTCMDIWYSDN-NSHDSACASA-N 1 0 230.311 2.132 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H](F)C1 ZINC000336262879 384892315 /nfs/dbraw/zinc/89/23/15/384892315.db2.gz HLURNQCHKNYJFM-QWHCGFSZSA-N 1 0 228.355 2.293 10 0 BEAERO CCOc1cc(C)c(C[NH3+])c(OCC)c1 ZINC000575720863 384896239 /nfs/dbraw/zinc/89/62/39/384896239.db2.gz BSAPIPQCLHEEPI-UHFFFAOYSA-N 1 0 209.289 2.251 10 0 BEAERO CCOc1cc(C[NH3+])c(F)c(OCC)c1 ZINC000575721785 384898831 /nfs/dbraw/zinc/89/88/31/384898831.db2.gz UHYCQFVLSGCJEZ-UHFFFAOYSA-N 1 0 213.252 2.082 10 0 BEAERO Cc1sccc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000306430671 384941259 /nfs/dbraw/zinc/94/12/59/384941259.db2.gz QKOBIMSAUODISO-GZMMTYOYSA-N 1 0 211.330 2.324 10 0 BEAERO Cc1cccc([C@H]2C[C@H]([NH2+]C3COC3)C2)c1 ZINC000367896855 384941331 /nfs/dbraw/zinc/94/13/31/384941331.db2.gz PGOLMGWBSSCWJK-JOCQHMNTSA-N 1 0 217.312 2.229 10 0 BEAERO C[C@@H](Cc1ccccc1)N1CCC[C@H]([NH3+])C1 ZINC000062179929 384982497 /nfs/dbraw/zinc/98/24/97/384982497.db2.gz CEVQEUCFYMODHT-JSGCOSHPSA-N 1 0 218.344 2.041 10 0 BEAERO CSCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000156819548 384983693 /nfs/dbraw/zinc/98/36/93/384983693.db2.gz AXFAHLQLVGPXOI-OLZOCXBDSA-N 1 0 243.416 2.367 10 0 BEAERO C[C@@H](COCc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000644579155 384984519 /nfs/dbraw/zinc/98/45/19/384984519.db2.gz OZQDGRBJFJXRGA-ZDUSSCGKSA-N 1 0 249.354 2.096 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cccs1 ZINC000307333558 384989833 /nfs/dbraw/zinc/98/98/33/384989833.db2.gz QKXRZVHEHRMLLT-UWVGGRQHSA-N 1 0 211.330 2.093 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@@H](C)CC(C)C)c1 ZINC000300856315 384999570 /nfs/dbraw/zinc/99/95/70/384999570.db2.gz FYCXBYSQFPFSCD-LBPRGKRZSA-N 1 0 223.364 2.463 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000086249720 385000321 /nfs/dbraw/zinc/00/03/21/385000321.db2.gz ILGZVSPVFCLHES-NXEZZACHSA-N 1 0 215.655 2.268 10 0 BEAERO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)sn1 ZINC000404460024 385003707 /nfs/dbraw/zinc/00/37/07/385003707.db2.gz NVEMVUVAMIJHEJ-ONGXEEELSA-N 1 0 226.345 2.109 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccns1 ZINC000404463833 385012656 /nfs/dbraw/zinc/01/26/56/385012656.db2.gz VRPVWQCKPOONOH-LLVKDONJSA-N 1 0 241.404 2.209 10 0 BEAERO Cc1[nH+]ccc(N[C@H](C)[C@H]2CCCO2)c1Cl ZINC000336646553 385049768 /nfs/dbraw/zinc/04/97/68/385049768.db2.gz DWINAFHUTXXGJV-LDYMZIIASA-N 1 0 240.734 2.445 10 0 BEAERO F[C@@]1(c2occc2Br)CC[NH2+]C1 ZINC000156420288 385054385 /nfs/dbraw/zinc/05/43/85/385054385.db2.gz DXSRVBJNRAJQPK-QMMMGPOBSA-N 1 0 234.068 2.200 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000087012052 385064074 /nfs/dbraw/zinc/06/40/74/385064074.db2.gz VMRSNQLNODYRSL-JSGCOSHPSA-N 1 0 235.327 2.130 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCNC(C)=O ZINC000310022074 385038636 /nfs/dbraw/zinc/03/86/36/385038636.db2.gz NWCITLALVRDKML-QWHCGFSZSA-N 1 0 226.364 2.071 10 0 BEAERO CC[C@H](C)C[N@H+](CC)Cc1nnc(C)n1CC ZINC000177854353 385129638 /nfs/dbraw/zinc/12/96/38/385129638.db2.gz VQAJVDCQOKECDZ-NSHDSACASA-N 1 0 238.379 2.474 10 0 BEAERO CC[C@@H](C)C[N@H+](CC)Cc1nnc(C)n1CC ZINC000177854344 385129719 /nfs/dbraw/zinc/12/97/19/385129719.db2.gz VQAJVDCQOKECDZ-LLVKDONJSA-N 1 0 238.379 2.474 10 0 BEAERO C[NH2+]CCCNc1ccc2ccccc2n1 ZINC000146294002 385137749 /nfs/dbraw/zinc/13/77/49/385137749.db2.gz NMLYYRCIJHMNPO-UHFFFAOYSA-N 1 0 215.300 2.256 10 0 BEAERO CC[C@](C)(O)C[N@@H+]1CCc2sccc2C1 ZINC000119399817 385089672 /nfs/dbraw/zinc/08/96/72/385089672.db2.gz WOVCJXCQNMXYFV-LBPRGKRZSA-N 1 0 225.357 2.267 10 0 BEAERO C[NH2+][C@@H](c1cccs1)[C@H]1CCCOC1 ZINC000062231320 385103998 /nfs/dbraw/zinc/10/39/98/385103998.db2.gz PZNGWKAFINJWKL-GXSJLCMTSA-N 1 0 211.330 2.435 10 0 BEAERO C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000062706487 385182756 /nfs/dbraw/zinc/18/27/56/385182756.db2.gz DJYBVXIZWSJAIN-SSDOTTSWSA-N 1 0 201.191 2.311 10 0 BEAERO CCO[C@H](C[NH2+]C)c1ccc(OC)c(F)c1 ZINC000062711590 385184082 /nfs/dbraw/zinc/18/40/82/385184082.db2.gz JNGKDMTVSHOYDI-GFCCVEGCSA-N 1 0 227.279 2.131 10 0 BEAERO CO[C@@H]1CCC12CC[NH+](Cc1ccccn1)CC2 ZINC000257177195 385202451 /nfs/dbraw/zinc/20/24/51/385202451.db2.gz DLGDEATZDDDOBY-CQSZACIVSA-N 1 0 246.354 2.473 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)C1CCC1 ZINC000336326608 385206164 /nfs/dbraw/zinc/20/61/64/385206164.db2.gz SOMJAEVNRGAJIC-MWLCHTKSSA-N 1 0 219.332 2.045 10 0 BEAERO CC(C)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107628647 385208146 /nfs/dbraw/zinc/20/81/46/385208146.db2.gz YLAQWFSQMLGYMW-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000044688727 385219455 /nfs/dbraw/zinc/21/94/55/385219455.db2.gz WIMVCRJRCHVJAW-MNOVXSKESA-N 1 0 208.305 2.157 10 0 BEAERO C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308860037 385223125 /nfs/dbraw/zinc/22/31/25/385223125.db2.gz RDSOYUFQOQSSCA-IJLUTSLNSA-N 1 0 217.328 2.123 10 0 BEAERO Nc1ccnc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000246863539 385248632 /nfs/dbraw/zinc/24/86/32/385248632.db2.gz PRDSWUPPKJOAAQ-NWDGAFQWSA-N 1 0 246.358 2.213 10 0 BEAERO Clc1cc2c(c3ncccc13)OCC[NH2+]C2 ZINC000096034723 385313737 /nfs/dbraw/zinc/31/37/37/385313737.db2.gz XYRSMTAIQBCXIJ-UHFFFAOYSA-N 1 0 234.686 2.370 10 0 BEAERO C[C@H]([NH3+])c1cnn(Cc2ccccc2F)c1 ZINC000054716887 385319841 /nfs/dbraw/zinc/31/98/41/385319841.db2.gz UZRXIUIZJYWIFS-VIFPVBQESA-N 1 0 219.263 2.090 10 0 BEAERO C[C@@H]([NH3+])c1cnn(Cc2ccc(F)cc2)c1 ZINC000054716872 385320144 /nfs/dbraw/zinc/32/01/44/385320144.db2.gz DBILFUQGZMSTIW-SECBINFHSA-N 1 0 219.263 2.090 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]CCn2cncn2)cc1F ZINC000310989501 385263090 /nfs/dbraw/zinc/26/30/90/385263090.db2.gz HLIUURROXVMKFQ-NSHDSACASA-N 1 0 248.305 2.076 10 0 BEAERO CCc1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000153610980 385268215 /nfs/dbraw/zinc/26/82/15/385268215.db2.gz SJAGCAJKWUFWIC-CYBMUJFWSA-N 1 0 246.354 2.025 10 0 BEAERO Cn1nccc1C[NH2+]CCC1=CCCC1 ZINC000120153713 385268782 /nfs/dbraw/zinc/26/87/82/385268782.db2.gz ZYCWXOBTAQJENO-UHFFFAOYSA-N 1 0 205.305 2.010 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000120115755 385269479 /nfs/dbraw/zinc/26/94/79/385269479.db2.gz GVPBUZVBFGGCSP-YUSALJHKSA-N 1 0 221.300 2.424 10 0 BEAERO Cc1n[nH]cc1C[NH2+]CCC1=CCCC1 ZINC000120166455 385270194 /nfs/dbraw/zinc/27/01/94/385270194.db2.gz NBOVSOQUEIQVBI-UHFFFAOYSA-N 1 0 205.305 2.308 10 0 BEAERO COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308911502 385287241 /nfs/dbraw/zinc/28/72/41/385287241.db2.gz DUWHPJQRVFJSPJ-GRYCIOLGSA-N 1 0 217.328 2.387 10 0 BEAERO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000308923697 385294887 /nfs/dbraw/zinc/29/48/87/385294887.db2.gz CTSDINPMSNXZQD-WXHSDQCUSA-N 1 0 211.349 2.316 10 0 BEAERO COc1ccc([C@H](C)C[NH2+]CCCCO)cc1 ZINC000193248929 385389417 /nfs/dbraw/zinc/38/94/17/385389417.db2.gz MWNNZQJGZVWCSU-GFCCVEGCSA-N 1 0 237.343 2.161 10 0 BEAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000336704139 385349970 /nfs/dbraw/zinc/34/99/70/385349970.db2.gz LVQZVKMSBSUIKM-QWHCGFSZSA-N 1 0 242.407 2.121 10 0 BEAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)[C@@H]1C ZINC000309016159 385370577 /nfs/dbraw/zinc/37/05/77/385370577.db2.gz ZPNVYKJNVQPBLQ-VEGXAWMVSA-N 1 0 211.349 2.172 10 0 BEAERO CCC[C@@H](C(=O)N[C@H](C)C1CCCC1)[NH+](C)C ZINC000179326788 385375475 /nfs/dbraw/zinc/37/54/75/385375475.db2.gz GRAHJBKLJOGPOR-YPMHNXCESA-N 1 0 240.391 2.412 10 0 BEAERO CC[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC000644016921 385378505 /nfs/dbraw/zinc/37/85/05/385378505.db2.gz MSKUMDKCEMPOPX-CHWSQXEVSA-N 1 0 246.354 2.252 10 0 BEAERO Cc1cnn(CC[NH2+][C@H]2CCCc3occc32)c1 ZINC000192969187 385378523 /nfs/dbraw/zinc/37/85/23/385378523.db2.gz DXUJOYJYUWWOBA-ZDUSSCGKSA-N 1 0 245.326 2.452 10 0 BEAERO COC[C@H]1CCCC[N@H+](C[C@](C)(O)C(C)C)C1 ZINC000364357352 385383136 /nfs/dbraw/zinc/38/31/36/385383136.db2.gz RLUUSMDZFQRTIR-KBPBESRZSA-N 1 0 243.391 2.142 10 0 BEAERO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1cccs1 ZINC000308973506 385328210 /nfs/dbraw/zinc/32/82/10/385328210.db2.gz FXBVJNLCVFOIQR-VWYCJHECSA-N 1 0 224.373 2.349 10 0 BEAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000309085177 385410591 /nfs/dbraw/zinc/41/05/91/385410591.db2.gz WLBALPCFNUYWIR-LOWDOPEQSA-N 1 0 211.349 2.293 10 0 BEAERO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309085973 385411158 /nfs/dbraw/zinc/41/11/58/385411158.db2.gz XPQAEFAWUVWSGU-LPWJVIDDSA-N 1 0 211.349 2.293 10 0 BEAERO CC(C)C[C@H](N)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020073489 385411691 /nfs/dbraw/zinc/41/16/91/385411691.db2.gz PFEXFQONOYGOKR-XQQFMLRXSA-N 1 0 212.381 2.338 10 0 BEAERO CCC1([NH2+]C[C@H](O)COC(C)(C)C)CCCC1 ZINC000394611282 385416747 /nfs/dbraw/zinc/41/67/47/385416747.db2.gz TVZJXLHDEYWZJO-LBPRGKRZSA-N 1 0 243.391 2.475 10 0 BEAERO C[C@H]([NH3+])c1noc(-c2ccc(Cl)s2)n1 ZINC000051173341 385445312 /nfs/dbraw/zinc/44/53/12/385445312.db2.gz LNYHELOBJLKYJK-BYPYZUCNSA-N 1 0 229.692 2.471 10 0 BEAERO c1cn2c(n1)CC[C@@H](C[NH2+]C[C@H]1CC=CCC1)C2 ZINC000275507407 385452195 /nfs/dbraw/zinc/45/21/95/385452195.db2.gz KCESEVGRFPUTBG-KBPBESRZSA-N 1 0 245.370 2.391 10 0 BEAERO CCOC(=O)c1ccc([C@H]2CC[N@H+](C)C2)cc1 ZINC000259411769 385428479 /nfs/dbraw/zinc/42/84/79/385428479.db2.gz IJJBURXJWOTGDD-ZDUSSCGKSA-N 1 0 233.311 2.282 10 0 BEAERO Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[C@H]1C ZINC000281447876 385435844 /nfs/dbraw/zinc/43/58/44/385435844.db2.gz SPJUJMBVHFLUOC-SKDRFNHKSA-N 1 0 207.321 2.270 10 0 BEAERO C1CC1c1noc([C@H]2C[NH2+]CC23CCCC3)n1 ZINC000328579752 385488376 /nfs/dbraw/zinc/48/83/76/385488376.db2.gz ZPOWELVUPBXBDO-SNVBAGLBSA-N 1 0 233.315 2.194 10 0 BEAERO C[C@H]1CC(C[NH2+]Cc2cscn2)C[C@H](C)O1 ZINC000282055816 385492878 /nfs/dbraw/zinc/49/28/78/385492878.db2.gz AZCYHSZIRQZYGD-UWVGGRQHSA-N 1 0 240.372 2.436 10 0 BEAERO OC[C@@H]1C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000257946659 385513033 /nfs/dbraw/zinc/51/30/33/385513033.db2.gz LOUBOAXENYADHJ-KWQFWETISA-N 1 0 245.244 2.348 10 0 BEAERO CC(C)N(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000172096142 385548684 /nfs/dbraw/zinc/54/86/84/385548684.db2.gz WCKVOTDOZPIHTQ-CQSZACIVSA-N 1 0 248.370 2.026 10 0 BEAERO C([NH2+]C[C@@H]1CCSC1)[C@H]1CC12CCOCC2 ZINC000309339262 385538565 /nfs/dbraw/zinc/53/85/65/385538565.db2.gz JSVQMZFOXYYQOU-NWDGAFQWSA-N 1 0 241.400 2.146 10 0 BEAERO C[N@@H+]1CCC[C@H](c2ccccc2CCO)CC1 ZINC000258134948 385543407 /nfs/dbraw/zinc/54/34/07/385543407.db2.gz IJHRIMSFAZCCIN-ZDUSSCGKSA-N 1 0 233.355 2.421 10 0 BEAERO Cn1cc([C@@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cn1 ZINC000172057699 385544239 /nfs/dbraw/zinc/54/42/39/385544239.db2.gz WSRVHQJUPLIXGZ-OCCSQVGLSA-N 1 0 231.343 2.318 10 0 BEAERO OCCc1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000259528178 385544224 /nfs/dbraw/zinc/54/42/24/385544224.db2.gz UBFACTXXMFAGTI-ZDUSSCGKSA-N 1 0 205.301 2.036 10 0 BEAERO CC1([NH3+])CCN(c2nc3ccccc3o2)CC1 ZINC000643029009 385524132 /nfs/dbraw/zinc/52/41/32/385524132.db2.gz GERKMAPINJBMNG-UHFFFAOYSA-N 1 0 231.299 2.145 10 0 BEAERO CC(C)(C)C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000309404888 385571485 /nfs/dbraw/zinc/57/14/85/385571485.db2.gz WXZGOFVPIGDIQU-LLVKDONJSA-N 1 0 221.348 2.081 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037164551 385596980 /nfs/dbraw/zinc/59/69/80/385596980.db2.gz FZAABRAAHNYLIW-WDEREUQCSA-N 1 0 241.281 2.358 10 0 BEAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000037164545 385597557 /nfs/dbraw/zinc/59/75/57/385597557.db2.gz FZAABRAAHNYLIW-QWRGUYRKSA-N 1 0 241.281 2.358 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309430249 385579135 /nfs/dbraw/zinc/57/91/35/385579135.db2.gz GBYACTOQWSCSDM-XGFWRYKXSA-N 1 0 223.360 2.437 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CC(F)(F)C2)C1(C)C ZINC000309444191 385583899 /nfs/dbraw/zinc/58/38/99/385583899.db2.gz JHPIDRJIWNSETF-UJNFCWOMSA-N 1 0 233.302 2.433 10 0 BEAERO CCCC(CCC)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309461097 385592426 /nfs/dbraw/zinc/59/24/26/385592426.db2.gz NWIGSYYGIFWFAF-CMPLNLGQSA-N 1 0 226.364 2.212 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000336678115 385617579 /nfs/dbraw/zinc/61/75/79/385617579.db2.gz CGBDVRLGXPZJGF-MNOVXSKESA-N 1 0 226.364 2.056 10 0 BEAERO c1nc(C[NH2+]C[C@@H]2CC23CCOCC3)cs1 ZINC000336650815 385618647 /nfs/dbraw/zinc/61/86/47/385618647.db2.gz DXIZOBHISFCNAY-JTQLQIEISA-N 1 0 238.356 2.049 10 0 BEAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cnccn1 ZINC000280931735 385620478 /nfs/dbraw/zinc/62/04/78/385620478.db2.gz DXGGQYBLTRSNFY-UTUOFQBUSA-N 1 0 249.358 2.331 10 0 BEAERO CC(C)(C)[C@@H]1CCc2n[nH]c(C[NH3+])c2C1 ZINC000082640512 385622081 /nfs/dbraw/zinc/62/20/81/385622081.db2.gz GBIIOSGZXGKWQN-MRVPVSSYSA-N 1 0 207.321 2.019 10 0 BEAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1C[C@H]1C ZINC000322219487 259673745 /nfs/dbraw/zinc/67/37/45/259673745.db2.gz WTKRZSYQBLVSST-RHYQMDGZSA-N 1 0 213.365 2.418 10 0 BEAERO COC(=O)[C@@H]1CCCCC[N@@H+]1C(C)(C)C ZINC000260019317 385648761 /nfs/dbraw/zinc/64/87/61/385648761.db2.gz JYDOLDNORDMGGB-JTQLQIEISA-N 1 0 213.321 2.203 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000309523369 385654733 /nfs/dbraw/zinc/65/47/33/385654733.db2.gz ACRWWNFYHNJKHO-QWHCGFSZSA-N 1 0 227.323 2.451 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccco1 ZINC000252709802 385658219 /nfs/dbraw/zinc/65/82/19/385658219.db2.gz DWJBXTWYWORZSJ-SDDRHHMPSA-N 1 0 223.316 2.481 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+]C1CCOCC1 ZINC000336734133 385658336 /nfs/dbraw/zinc/65/83/36/385658336.db2.gz MVPHVIQFCOVXRC-ZYHUDNBSSA-N 1 0 215.312 2.283 10 0 BEAERO Cn1ccc(C[NH2+][C@@H]2CCC[C@H]2CCF)n1 ZINC000309553252 385685974 /nfs/dbraw/zinc/68/59/74/385685974.db2.gz GRTTYHQXFWPVOD-CMPLNLGQSA-N 1 0 225.311 2.038 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2ccccn2)C[C@@H](C)O1 ZINC000282238904 385745244 /nfs/dbraw/zinc/74/52/44/385745244.db2.gz NWJXUHJDNMNRQV-VXGBXAGGSA-N 1 0 234.343 2.375 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cccn1 ZINC000336743289 385786349 /nfs/dbraw/zinc/78/63/49/385786349.db2.gz TTXHBUJBWLSEEM-OLZOCXBDSA-N 1 0 221.348 2.442 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2cccn2C)C[C@@H](C)O1 ZINC000282260013 385746280 /nfs/dbraw/zinc/74/62/80/385746280.db2.gz PCCPPAPPTZNYCK-VXGBXAGGSA-N 1 0 236.359 2.318 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000336697912 385755403 /nfs/dbraw/zinc/75/54/03/385755403.db2.gz JAPFNEWCROJBST-BFHYXJOUSA-N 1 0 242.407 2.120 10 0 BEAERO [NH3+]Cc1cnc(C2CCSCC2)s1 ZINC000258876289 385779311 /nfs/dbraw/zinc/77/93/11/385779311.db2.gz MGEGCTMAPCEKOE-UHFFFAOYSA-N 1 0 214.359 2.212 10 0 BEAERO CC[C@H]([NH2+]C[C@@H](C)N(C)C)C(C)(C)C ZINC000336654237 385721045 /nfs/dbraw/zinc/72/10/45/385721045.db2.gz MRPRYQLQMMHVRG-MNOVXSKESA-N 1 0 200.370 2.351 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c(N)c1 ZINC000052294172 385722206 /nfs/dbraw/zinc/72/22/06/385722206.db2.gz KROBGBWWUCMGLO-RDDDGLTNSA-N 1 0 210.708 2.420 10 0 BEAERO C[S@](=O)C1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000336714296 385808527 /nfs/dbraw/zinc/80/85/27/385808527.db2.gz UXDWKQWYLRCREV-USBNGQNGSA-N 1 0 247.379 2.015 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000336714500 385809124 /nfs/dbraw/zinc/80/91/24/385809124.db2.gz RYXAIYDLCSUGRW-WDEREUQCSA-N 1 0 243.301 2.426 10 0 BEAERO CCS[C@H]1CCCC[N@H+](CC(C)(C)O)C1 ZINC000112088203 385832287 /nfs/dbraw/zinc/83/22/87/385832287.db2.gz XELVASNOHIKXRV-NSHDSACASA-N 1 0 231.405 2.365 10 0 BEAERO CC(C)(C)CC[NH+]1CCC(n2cncn2)CC1 ZINC000112697342 385843260 /nfs/dbraw/zinc/84/32/60/385843260.db2.gz HIZKLOFCSKPTER-UHFFFAOYSA-N 1 0 236.363 2.351 10 0 BEAERO CC[C@@H]([NH2+]CCCC(=O)N(C)C)C(C)(C)C ZINC000309693420 385794765 /nfs/dbraw/zinc/79/47/65/385794765.db2.gz KHTQOXPIZUBUNW-LLVKDONJSA-N 1 0 228.380 2.269 10 0 BEAERO CC[C@@H]([NH2+][C@@H](CC)C1CC1)[C@@H](O)C(F)(F)F ZINC000309693397 385795034 /nfs/dbraw/zinc/79/50/34/385795034.db2.gz KGYYNRRZCGGWAO-IVZWLZJFSA-N 1 0 239.281 2.466 10 0 BEAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000112731888 385885697 /nfs/dbraw/zinc/88/56/97/385885697.db2.gz BDDUYFMGPXEMRB-GFCCVEGCSA-N 1 0 243.391 2.284 10 0 BEAERO Fc1ccc(S[C@@H]2CC[NH2+]C2)cc1F ZINC000051784081 385914639 /nfs/dbraw/zinc/91/46/39/385914639.db2.gz HAMYQQFGYXLBOB-MRVPVSSYSA-N 1 0 215.268 2.419 10 0 BEAERO Fc1ccc(F)c(CO[C@@H]2CCC[NH2+]C2)c1 ZINC000051787507 385919054 /nfs/dbraw/zinc/91/90/54/385919054.db2.gz RFHZCEBNVBRQGZ-LLVKDONJSA-N 1 0 227.254 2.233 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000336748838 385988682 /nfs/dbraw/zinc/98/86/82/385988682.db2.gz CZZJCCFOSGEFOD-NEPJUHHUSA-N 1 0 211.349 2.460 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)C1CC1 ZINC000334522323 385939930 /nfs/dbraw/zinc/93/99/30/385939930.db2.gz NCWAHHFJORVGEX-KWQFWETISA-N 1 0 205.305 2.175 10 0 BEAERO Fc1ccc(COC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000051816559 385942679 /nfs/dbraw/zinc/94/26/79/385942679.db2.gz JPZFSWKPRPLJQS-LLVKDONJSA-N 1 0 227.254 2.233 10 0 BEAERO Cc1ccnc(C2(C[NH3+])CC2)c1Br ZINC000306201676 385997394 /nfs/dbraw/zinc/99/73/94/385997394.db2.gz QORCWJLEYPCKTG-UHFFFAOYSA-N 1 0 241.132 2.143 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCn1ccnc1 ZINC000336721899 386001881 /nfs/dbraw/zinc/00/18/81/386001881.db2.gz DPYAAGAVNHFDAJ-QWHCGFSZSA-N 1 0 221.348 2.442 10 0 BEAERO FC(F)c1nnc(NC[C@H]2CCCC[NH2+]2)s1 ZINC000309435121 386009681 /nfs/dbraw/zinc/00/96/81/386009681.db2.gz MPIBKGBFGCRXNG-ZCFIWIBFSA-N 1 0 248.302 2.030 10 0 BEAERO C[C@H](CCCO)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336751900 386010454 /nfs/dbraw/zinc/01/04/54/386010454.db2.gz GSTAMTQELYPKQB-GRYCIOLGSA-N 1 0 217.328 2.265 10 0 BEAERO Cc1ccc(F)cc1C[NH2+]Cc1ccnn1C ZINC000129026221 386043373 /nfs/dbraw/zinc/04/33/73/386043373.db2.gz IMFOFEQFXJHVJQ-UHFFFAOYSA-N 1 0 233.290 2.157 10 0 BEAERO CC(C)(O)CC[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000366096299 386063110 /nfs/dbraw/zinc/06/31/10/386063110.db2.gz NTIZDBRKHVRGEJ-VXGBXAGGSA-N 1 0 211.349 2.412 10 0 BEAERO C[NH2+]CCc1c(Cl)ccc(F)c1F ZINC000307717645 386095260 /nfs/dbraw/zinc/09/52/60/386095260.db2.gz NLZRPGOYIWIUPR-UHFFFAOYSA-N 1 0 205.635 2.380 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCC2CCCC2)C1 ZINC000055087937 386154126 /nfs/dbraw/zinc/15/41/26/386154126.db2.gz KGPOEEVVAHASBQ-OLZOCXBDSA-N 1 0 238.375 2.200 10 0 BEAERO COc1cccnc1NCC1([NH3+])CCCCC1 ZINC000310430836 386184193 /nfs/dbraw/zinc/18/41/93/386184193.db2.gz QEGNESFMBQIKJO-UHFFFAOYSA-N 1 0 235.331 2.164 10 0 BEAERO CCCN(CC(C)C)C(=O)C1CCC([NH3+])CC1 ZINC000310471428 386188934 /nfs/dbraw/zinc/18/89/34/386188934.db2.gz ZCBARSOXUVFMGI-UHFFFAOYSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C)C[C@@H]2C)o1 ZINC000336742546 386201154 /nfs/dbraw/zinc/20/11/54/386201154.db2.gz OIXYXLXDKOOEFH-ZMLRMANQSA-N 1 0 222.332 2.189 10 0 BEAERO C[C@H]1CN[C@H](c2cncc(Cl)c2)S1 ZINC000575576254 386192250 /nfs/dbraw/zinc/19/22/50/386192250.db2.gz LNFWOJRBDXOZPB-RCOVLWMOSA-N 1 0 214.721 2.459 10 0 BEAERO CC[N@@H+]1CCCOC[C@@H]1c1ccc(N)cc1 ZINC000616599129 386192430 /nfs/dbraw/zinc/19/24/30/386192430.db2.gz HWULXWYOWBWEDF-CYBMUJFWSA-N 1 0 220.316 2.052 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000336730619 386281056 /nfs/dbraw/zinc/28/10/56/386281056.db2.gz KHJIQUINUBDBGU-QJPTWQEYSA-N 1 0 215.312 2.283 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)C1CCCC1 ZINC000164787969 386298548 /nfs/dbraw/zinc/29/85/48/386298548.db2.gz YPFCJDTZJWGBEP-PWSUYJOCSA-N 1 0 234.347 2.281 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@@H](C)N(CC)CC ZINC000133521273 386311983 /nfs/dbraw/zinc/31/19/83/386311983.db2.gz WGTJHKIPXMENRT-VXGBXAGGSA-N 1 0 200.370 2.352 10 0 BEAERO CO[C@H](C[NH3+])c1ccsc1Br ZINC000575592249 386345438 /nfs/dbraw/zinc/34/54/38/386345438.db2.gz PHWNLPRWCYXTHG-ZCFIWIBFSA-N 1 0 236.134 2.157 10 0 BEAERO Cc1cccc(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000335271556 386358582 /nfs/dbraw/zinc/35/85/82/386358582.db2.gz XRLGPWHDLIYASE-PWSUYJOCSA-N 1 0 247.342 2.114 10 0 BEAERO CCC[C@H]1CCC[C@H]1[NH2+]CCn1cccn1 ZINC000336743290 386365540 /nfs/dbraw/zinc/36/55/40/386365540.db2.gz TTXHBUJBWLSEEM-QWHCGFSZSA-N 1 0 221.348 2.442 10 0 BEAERO CC(=O)c1ccccc1[C@]1(C)CCC[NH2+]1 ZINC000238150600 386448286 /nfs/dbraw/zinc/44/82/86/386448286.db2.gz HHQSXAYJFARQFD-ZDUSSCGKSA-N 1 0 203.285 2.488 10 0 BEAERO C[C@H]1C[C@H](C)CC([NH3+])(C(=O)OC(C)(C)C)C1 ZINC000521401014 386449626 /nfs/dbraw/zinc/44/96/26/386449626.db2.gz VGXBIEBGSDJOHR-UWVGGRQHSA-N 1 0 227.348 2.482 10 0 BEAERO Cc1cn[nH]c1C[NH2+][C@H]1CCc2ccccc21 ZINC000290075290 386389985 /nfs/dbraw/zinc/38/99/85/386389985.db2.gz YNNWWNULXSHRPA-ZDUSSCGKSA-N 1 0 227.311 2.495 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1c(C)nn(C)c1C ZINC000165032102 386497098 /nfs/dbraw/zinc/49/70/98/386497098.db2.gz GMLUKWFFMOCGNS-YPMHNXCESA-N 1 0 221.348 2.315 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000190419940 386505032 /nfs/dbraw/zinc/50/50/32/386505032.db2.gz DAYQRXGNBZTSIR-LPWJVIDDSA-N 1 0 241.375 2.205 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccn1C ZINC000267227303 386515192 /nfs/dbraw/zinc/51/51/92/386515192.db2.gz FCNXDQPOAYVXDJ-JSGCOSHPSA-N 1 0 236.359 2.176 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCc1ccccc1 ZINC000399219399 386458618 /nfs/dbraw/zinc/45/86/18/386458618.db2.gz VRVPRGPQDOBQRT-ZFWWWQNUSA-N 1 0 233.355 2.464 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)C[S@@](C)=O)C(C)(C)C ZINC000336644148 386588325 /nfs/dbraw/zinc/58/83/25/386588325.db2.gz AEBZFTBYCVKSIV-PKFCDNJMSA-N 1 0 219.394 2.168 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000336644571 386594066 /nfs/dbraw/zinc/59/40/66/386594066.db2.gz CHOWTIBLUQBHTM-FZMZJTMJSA-N 1 0 222.376 2.391 10 0 BEAERO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@@H]1C ZINC000238854752 386536636 /nfs/dbraw/zinc/53/66/36/386536636.db2.gz PDHCNXVSTTUMHE-OUCADQQQSA-N 1 0 247.338 2.489 10 0 BEAERO O=C1C[C@H](C2CC2)N(Cc2ccccc2)C1 ZINC000238854288 386537374 /nfs/dbraw/zinc/53/73/74/386537374.db2.gz NIJDOHIJSQTSJD-CQSZACIVSA-N 1 0 215.296 2.240 10 0 BEAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cn[nH]c1 ZINC000287750521 386545413 /nfs/dbraw/zinc/54/54/13/386545413.db2.gz LPKSGUIQWAKESX-CMPLNLGQSA-N 1 0 227.311 2.400 10 0 BEAERO C[C@](O)(C[NH2+][C@H]1CCC[C@H]1CCF)C1CC1 ZINC000336780876 386565276 /nfs/dbraw/zinc/56/52/76/386565276.db2.gz SJCVCVCVUONBJQ-DRZSPHRISA-N 1 0 229.339 2.265 10 0 BEAERO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1CCF)C1CC1 ZINC000336780877 386567484 /nfs/dbraw/zinc/56/74/84/386567484.db2.gz SJCVCVCVUONBJQ-RTXFEEFZSA-N 1 0 229.339 2.265 10 0 BEAERO CCSCC[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000336756666 386571947 /nfs/dbraw/zinc/57/19/47/386571947.db2.gz IXOCXUCJYCPOMP-RYUDHWBXSA-N 1 0 230.421 2.058 10 0 BEAERO Cc1[nH+]ccc(N[C@@H](C)[C@@H]2CCCO2)c1Cl ZINC000336646552 386635612 /nfs/dbraw/zinc/63/56/12/386635612.db2.gz DWINAFHUTXXGJV-KWQFWETISA-N 1 0 240.734 2.445 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@@H]1c1cncnc1 ZINC000616614502 386646141 /nfs/dbraw/zinc/64/61/41/386646141.db2.gz RZUABZOOMHZXAU-GFCCVEGCSA-N 1 0 205.305 2.412 10 0 BEAERO Cc1sccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000293017342 386647703 /nfs/dbraw/zinc/64/77/03/386647703.db2.gz QKOBIMSAUODISO-LDYMZIIASA-N 1 0 211.330 2.324 10 0 BEAERO CC[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911258 386654758 /nfs/dbraw/zinc/65/47/58/386654758.db2.gz JQYHFVFSXOIBRJ-QWHCGFSZSA-N 1 0 210.365 2.108 10 0 BEAERO CC[C@@H]([NH2+][C@@H]1CCN(CC)C1)C1CCC1 ZINC000324882957 386676872 /nfs/dbraw/zinc/67/68/72/386676872.db2.gz DUIHIFDPPCDISI-CHWSQXEVSA-N 1 0 210.365 2.249 10 0 BEAERO Cc1nc([C@H]([NH3+])[C@@H]2CCSC2)cs1 ZINC000307496336 386690140 /nfs/dbraw/zinc/69/01/40/386690140.db2.gz RPEGVSIKKLCNOO-VXNVDRBHSA-N 1 0 214.359 2.204 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000520611993 386708531 /nfs/dbraw/zinc/70/85/31/386708531.db2.gz YETCYXXADNJTLP-GMTAPVOTSA-N 1 0 233.302 2.457 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000394946430 386732898 /nfs/dbraw/zinc/73/28/98/386732898.db2.gz IETPMPWLGOVLLU-LLVKDONJSA-N 1 0 233.302 2.269 10 0 BEAERO FC1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC000306705559 386741542 /nfs/dbraw/zinc/74/15/42/386741542.db2.gz IITNTECALRBGOI-VIFPVBQESA-N 1 0 203.326 2.364 10 0 BEAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396589032 386778907 /nfs/dbraw/zinc/77/89/07/386778907.db2.gz SLMLYLKXUWLUMH-OUCADQQQSA-N 1 0 218.344 2.478 10 0 BEAERO Cc1ccc([C@@H](N)C[NH3+])c2ccccc12 ZINC000044469687 386780333 /nfs/dbraw/zinc/78/03/33/386780333.db2.gz MCLHQSWECLRUSD-ZDUSSCGKSA-N 1 0 200.285 2.107 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](COC)OC ZINC000336671641 386819255 /nfs/dbraw/zinc/81/92/55/386819255.db2.gz APKPYZWGRGFIHF-FRRDWIJNSA-N 1 0 229.364 2.206 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCn1cccn1 ZINC000336672119 386823318 /nfs/dbraw/zinc/82/33/18/386823318.db2.gz HKZJHSOROMKXSK-NWDGAFQWSA-N 1 0 225.311 2.001 10 0 BEAERO Cc1ncc([C@H](F)[C@@H]2CCC[NH2+]2)s1 ZINC000575451742 386806179 /nfs/dbraw/zinc/80/61/79/386806179.db2.gz MZIFSSZCSANLLO-IONNQARKSA-N 1 0 200.282 2.214 10 0 BEAERO C[C@@H]1C[C@H](c2ccncc2Br)C[NH2+]1 ZINC000575454032 386829405 /nfs/dbraw/zinc/82/94/05/386829405.db2.gz ORPZAHBJXVDPTC-SFYZADRCSA-N 1 0 241.132 2.310 10 0 BEAERO C[C@@H](CCCC[NH3+])Nc1ncc(Cl)cn1 ZINC000336674117 386842927 /nfs/dbraw/zinc/84/29/27/386842927.db2.gz HBSCZSWJDVBJMP-QMMMGPOBSA-N 1 0 228.727 2.059 10 0 BEAERO c1cn([C@H]2CC[N@@H+](CC3CCCCC3)C2)nn1 ZINC000585380350 386852540 /nfs/dbraw/zinc/85/25/40/386852540.db2.gz WKUHFCLVQWDBHF-ZDUSSCGKSA-N 1 0 234.347 2.105 10 0 BEAERO C(C1CCC1)[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000334791638 386856562 /nfs/dbraw/zinc/85/65/62/386856562.db2.gz XZPBNWIXKGZDPK-STQMWFEESA-N 1 0 221.344 2.287 10 0 BEAERO C[C@H]([NH2+]CCC[S@](C)=O)C1C(C)(C)C1(C)C ZINC000336744272 386860679 /nfs/dbraw/zinc/86/06/79/386860679.db2.gz QAJXSKHYYVIAFB-QFYYESIMSA-N 1 0 245.432 2.415 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000341448556 386905819 /nfs/dbraw/zinc/90/58/19/386905819.db2.gz BPNDRHYNUQYLBT-HKUMRIAESA-N 1 0 241.375 2.347 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000082327524 386944977 /nfs/dbraw/zinc/94/49/77/386944977.db2.gz GQBQSJMZBRDDAB-GWCFXTLKSA-N 1 0 240.347 2.125 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000323994744 386955895 /nfs/dbraw/zinc/95/58/95/386955895.db2.gz LZRXAUNDRPSIMJ-STQMWFEESA-N 1 0 210.365 2.105 10 0 BEAERO CCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398849402 387008459 /nfs/dbraw/zinc/00/84/59/387008459.db2.gz MEVUVSJJXWAPIN-RWMBFGLXSA-N 1 0 211.349 2.269 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C1 ZINC000398805990 386999221 /nfs/dbraw/zinc/99/92/21/386999221.db2.gz TVHJHHIUQIJNAU-IVZWLZJFSA-N 1 0 237.265 2.032 10 0 BEAERO COc1ccc(Br)c([C@H]([NH3+])CF)c1 ZINC000238432731 387032634 /nfs/dbraw/zinc/03/26/34/387032634.db2.gz HKYQWNQYKAGBTD-SECBINFHSA-N 1 0 248.095 2.427 10 0 BEAERO Cc1cc(C[NH3+])cc(NC(=O)N2CC3(CC3)C2)c1 ZINC000333603403 387045492 /nfs/dbraw/zinc/04/54/92/387045492.db2.gz QUGYBJISULLAFX-UHFFFAOYSA-N 1 0 245.326 2.081 10 0 BEAERO Cc1nnc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000328766084 387053642 /nfs/dbraw/zinc/05/36/42/387053642.db2.gz HDARDNFTAVGTFQ-UHFFFAOYSA-N 1 0 247.342 2.292 10 0 BEAERO [NH3+]C1(Cc2ccncc2Br)CCC1 ZINC000575581481 387056648 /nfs/dbraw/zinc/05/66/48/387056648.db2.gz RMORALDJSMLUSJ-UHFFFAOYSA-N 1 0 241.132 2.268 10 0 BEAERO O[C@@H]1CCC[N@H+](CCC(F)(F)C(F)(F)F)C1 ZINC000575411064 387011264 /nfs/dbraw/zinc/01/12/64/387011264.db2.gz WHGFQYJYHLTXCN-SSDOTTSWSA-N 1 0 247.207 2.031 10 0 BEAERO BrC=C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575457981 387022207 /nfs/dbraw/zinc/02/22/07/387022207.db2.gz QSXYAAIBWZPZOY-OCAPTIKFSA-N 1 0 202.095 2.180 10 0 BEAERO CC(C)c1cnc(N[C@@H]2CC[NH2+]C2)s1 ZINC000334980879 387068746 /nfs/dbraw/zinc/06/87/46/387068746.db2.gz PNPQBFDGRFLJQF-MRVPVSSYSA-N 1 0 211.334 2.040 10 0 BEAERO COC[C@@H]([NH3+])c1ccsc1Br ZINC000575467107 387077155 /nfs/dbraw/zinc/07/71/55/387077155.db2.gz WXRVQZOETGURQS-ZCFIWIBFSA-N 1 0 236.134 2.157 10 0 BEAERO [NH3+][C@]1(c2cnsc2)CCCSCC1 ZINC000575466738 387080708 /nfs/dbraw/zinc/08/07/08/387080708.db2.gz FIMNUXSMSAIWIU-SECBINFHSA-N 1 0 214.359 2.214 10 0 BEAERO Cc1c(C[NH2+]CCCCOC(C)C)cnn1C ZINC000228563857 387101922 /nfs/dbraw/zinc/10/19/22/387101922.db2.gz FCXNNCDZTBVSFS-UHFFFAOYSA-N 1 0 239.363 2.023 10 0 BEAERO CC(C)CCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186520378 387106950 /nfs/dbraw/zinc/10/69/50/387106950.db2.gz FGSKSXXKJYOSJD-LBPRGKRZSA-N 1 0 238.375 2.166 10 0 BEAERO CCCCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518279 387107569 /nfs/dbraw/zinc/10/75/69/387107569.db2.gz AMCOQKCKGRCHSA-LBPRGKRZSA-N 1 0 238.375 2.310 10 0 BEAERO CC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119336997 387122471 /nfs/dbraw/zinc/12/24/71/387122471.db2.gz PAZBZWKQDLXCCI-CHWSQXEVSA-N 1 0 240.391 2.269 10 0 BEAERO COc1ccc([C@H]([NH3+])CCF)c(OC)c1 ZINC000575439425 387123079 /nfs/dbraw/zinc/12/30/79/387123079.db2.gz KIRIGUAZMDWKDV-SNVBAGLBSA-N 1 0 213.252 2.063 10 0 BEAERO [NH3+][C@H](CCF)c1cc(F)c(F)c(F)c1 ZINC000575439980 387128073 /nfs/dbraw/zinc/12/80/73/387128073.db2.gz QAYVJIVLGYMAFH-MRVPVSSYSA-N 1 0 207.170 2.463 10 0 BEAERO COCC[NH+](CCOC)[C@@H]1CCCC[C@@H]1C ZINC000120007340 387148526 /nfs/dbraw/zinc/14/85/26/387148526.db2.gz DVSBZUAKWISLKF-QWHCGFSZSA-N 1 0 229.364 2.160 10 0 BEAERO CC1(C)[C@H](c2ccncc2Br)[C@@H]1[NH3+] ZINC000575585997 387148970 /nfs/dbraw/zinc/14/89/70/387148970.db2.gz YVZQZURBMUGHQW-BDAKNGLRSA-N 1 0 241.132 2.295 10 0 BEAERO C[C@@H]1C[C@@H](c2cccs2)C[C@H](O)[N@@H+]1C ZINC000536949696 387160375 /nfs/dbraw/zinc/16/03/75/387160375.db2.gz DLPLKOFQAYXVOD-KKZNHRDASA-N 1 0 211.330 2.264 10 0 BEAERO CCC1(CC)C[NH2+]C[C@H]1c1cc(C)n[nH]1 ZINC000536951898 387163148 /nfs/dbraw/zinc/16/31/48/387163148.db2.gz ZRKUULLQHLMDPV-JTQLQIEISA-N 1 0 207.321 2.211 10 0 BEAERO CC[C@H]1C[NH2+]C[C@H]1c1ccccc1OC ZINC000536952101 387165733 /nfs/dbraw/zinc/16/57/33/387165733.db2.gz APVUPRFHLYVFIU-CMPLNLGQSA-N 1 0 205.301 2.408 10 0 BEAERO [NH3+]C[C@H](c1ccc(F)cc1)C1(CO)CCC1 ZINC000536953359 387166792 /nfs/dbraw/zinc/16/67/92/387166792.db2.gz JEDSSBQQAKMUJQ-GFCCVEGCSA-N 1 0 223.291 2.031 10 0 BEAERO Cc1ccncc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250863380 387175738 /nfs/dbraw/zinc/17/57/38/387175738.db2.gz FBPKKIOGQGLNBJ-OLZOCXBDSA-N 1 0 231.343 2.429 10 0 BEAERO CC(C)=C[C@H]([NH3+])c1c(Br)cnn1C ZINC000575482166 387181032 /nfs/dbraw/zinc/18/10/32/387181032.db2.gz JWYAGAKLGMJQMN-QMMMGPOBSA-N 1 0 244.136 2.149 10 0 BEAERO CC(C)[C@](C)(O)C[N@@H+]1CCCC2(CC2)C1 ZINC000187567839 387205688 /nfs/dbraw/zinc/20/56/88/387205688.db2.gz ZOYGZCPXRFABJP-GFCCVEGCSA-N 1 0 211.349 2.269 10 0 BEAERO CCC[C@H](C(=O)N[C@H](C)CC(C)C)[NH+](C)C ZINC000120315925 387231266 /nfs/dbraw/zinc/23/12/66/387231266.db2.gz JJDQVGWJFLGDFT-VXGBXAGGSA-N 1 0 228.380 2.268 10 0 BEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](C)O)C12CCCC2 ZINC000187723124 387231679 /nfs/dbraw/zinc/23/16/79/387231679.db2.gz PZAFICOGPLGYDL-FRRDWIJNSA-N 1 0 241.375 2.037 10 0 BEAERO c1n[nH]cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035763579 387232080 /nfs/dbraw/zinc/23/20/80/387232080.db2.gz IZDJLMNGALKYJU-CYBMUJFWSA-N 1 0 242.326 2.096 10 0 BEAERO [NH3+]C1CC(C(=O)c2ccsc2Cl)C1 ZINC000575488119 387256833 /nfs/dbraw/zinc/25/68/33/387256833.db2.gz ZLRYSKCBCSIMOR-UHFFFAOYSA-N 1 0 215.705 2.322 10 0 BEAERO CCCCCC(=O)N1CCC([NH+](C)C)CC1 ZINC000120653707 387259910 /nfs/dbraw/zinc/25/99/10/387259910.db2.gz XIDUCRCUZRISAR-UHFFFAOYSA-N 1 0 226.364 2.119 10 0 BEAERO Cc1ncc([C@@H]([NH3+])[C@H]2CCSC2)s1 ZINC000575491559 387277496 /nfs/dbraw/zinc/27/74/96/387277496.db2.gz XQHLUWLDVGSQSO-CBAPKCEASA-N 1 0 214.359 2.204 10 0 BEAERO COC(=O)c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000353896116 387291671 /nfs/dbraw/zinc/29/16/71/387291671.db2.gz DWODXIZWHYBWHC-ZIAGYGMSSA-N 1 0 245.322 2.458 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392889324 387297953 /nfs/dbraw/zinc/29/79/53/387297953.db2.gz YJCMWZPUDWZPJL-NDBYEHHHSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)[C@@H](C)C1 ZINC000392940381 387302790 /nfs/dbraw/zinc/30/27/90/387302790.db2.gz OXNOIBVHNLSUAC-QNWJLWSRSA-N 1 0 238.375 2.068 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2ccc(Br)s2)C1 ZINC000575507933 387367872 /nfs/dbraw/zinc/36/78/72/387367872.db2.gz JHCLPPWHFSSSCV-NTSWFWBYSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2csc(Br)c2)C1 ZINC000575507488 387374756 /nfs/dbraw/zinc/37/47/56/387374756.db2.gz HWNDEHNRRFRLAY-BQBZGAKWSA-N 1 0 248.145 2.299 10 0 BEAERO O[C@@H](c1sccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000575508274 387375068 /nfs/dbraw/zinc/37/50/68/387375068.db2.gz MGMZYNNSAAOTOB-HTRCEHHLSA-N 1 0 217.721 2.044 10 0 BEAERO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000286220692 387323673 /nfs/dbraw/zinc/32/36/73/387323673.db2.gz SILWRFCQJUKEQF-CMPLNLGQSA-N 1 0 225.311 2.336 10 0 BEAERO [NH3+]C1([C@@H](O)c2ccc(Cl)s2)CCC1 ZINC000575496907 387326395 /nfs/dbraw/zinc/32/63/95/387326395.db2.gz CCHWIAOAIVLQBU-QMMMGPOBSA-N 1 0 217.721 2.316 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1c(C)cnn1C ZINC000286587166 387332094 /nfs/dbraw/zinc/33/20/94/387332094.db2.gz QMORHTPBLQRCHZ-MNOVXSKESA-N 1 0 207.321 2.007 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@H]2CCCCC2=O)CCS1 ZINC000306555432 387343456 /nfs/dbraw/zinc/34/34/56/387343456.db2.gz LUHRFWCGSBLWLN-MNOVXSKESA-N 1 0 227.373 2.326 10 0 BEAERO CC[C@H]([NH2+]CCn1cc(C)cn1)[C@@H]1C[C@H]1C ZINC000321993770 387343896 /nfs/dbraw/zinc/34/38/96/387343896.db2.gz FMDMPGPIDCMQBO-UPJWGTAASA-N 1 0 221.348 2.216 10 0 BEAERO C[C@@]1(c2ccc(Br)cn2)C[C@@H]1C[NH3+] ZINC000575499143 387344345 /nfs/dbraw/zinc/34/43/45/387344345.db2.gz FXYBVZGUCZZJLW-GMSGAONNSA-N 1 0 241.132 2.080 10 0 BEAERO S=C(C[NH2+]Cc1ccccc1)N1CCCC1 ZINC000013611621 387349348 /nfs/dbraw/zinc/34/93/48/387349348.db2.gz ZAWCTEMWFTZVEC-UHFFFAOYSA-N 1 0 234.368 2.199 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000162562342 387423481 /nfs/dbraw/zinc/42/34/81/387423481.db2.gz QHKJQIZEYMYNRK-ASYNLNLVSA-N 1 0 235.302 2.174 10 0 BEAERO C1C[NH2+][C@]2(CCCSCC2)SC1 ZINC000575516984 387426407 /nfs/dbraw/zinc/42/64/07/387426407.db2.gz BWHVVFHRLADVFQ-SECBINFHSA-N 1 0 203.376 2.326 10 0 BEAERO N[C@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000035677031 387438521 /nfs/dbraw/zinc/43/85/21/387438521.db2.gz NDPPMYOFLQQIAG-MRVPVSSYSA-N 1 0 236.262 2.257 10 0 BEAERO C[C@@H]1C[NH2+][C@H]2CCC(F)(F)C[C@@H]2S1 ZINC000575520879 387450134 /nfs/dbraw/zinc/45/01/34/387450134.db2.gz UKIDPCNMIONHHH-CSMHCCOUSA-N 1 0 207.289 2.268 10 0 BEAERO CNC(=[NH2+])Nc1cccc(Br)c1F ZINC000575523698 387456329 /nfs/dbraw/zinc/45/63/29/387456329.db2.gz NCNKAOUFOAPZRS-UHFFFAOYSA-N 1 0 246.083 2.154 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2sccc2Br)C1 ZINC000575509327 387392628 /nfs/dbraw/zinc/39/26/28/387392628.db2.gz VHGQCJYXIVFBQX-IYSWYEEDSA-N 1 0 248.145 2.299 10 0 BEAERO CC(C)(C)OC(=O)NC[C@]1(C)CCCC[NH2+]1 ZINC000216550176 387406593 /nfs/dbraw/zinc/40/65/93/387406593.db2.gz XYTWZTMIUGTYFP-LBPRGKRZSA-N 1 0 228.336 2.043 10 0 BEAERO CCOC[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000122371419 387516232 /nfs/dbraw/zinc/51/62/32/387516232.db2.gz RQUHBKWTKCADBJ-JQWIXIFHSA-N 1 0 221.300 2.135 10 0 BEAERO CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122410390 387527862 /nfs/dbraw/zinc/52/78/62/387527862.db2.gz SKBCKEJFDZKKSL-FUNVUKJBSA-N 1 0 238.375 2.356 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN[C@H]1C)C1CCC1 ZINC000396687431 387482954 /nfs/dbraw/zinc/48/29/54/387482954.db2.gz YXPZYEATHKVIPP-WCFLWFBJSA-N 1 0 210.365 2.295 10 0 BEAERO COC[C@@](C)(CCO)[NH2+]CCCC1CCCC1 ZINC000123632685 387589594 /nfs/dbraw/zinc/58/95/94/387589594.db2.gz CUDOYNBXZFZASP-CQSZACIVSA-N 1 0 243.391 2.334 10 0 BEAERO Br/C=C1/CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000575543837 387591705 /nfs/dbraw/zinc/59/17/05/387591705.db2.gz BALBKHUDFDBXQW-JYUDYDOHSA-N 1 0 216.122 2.285 10 0 BEAERO c1coc([C@H]2CCC[N@H+]2CCC2OCCO2)c1 ZINC000124331283 387612516 /nfs/dbraw/zinc/61/25/16/387612516.db2.gz GIOQSBYSMHPUPI-LLVKDONJSA-N 1 0 237.299 2.180 10 0 BEAERO Cc1cc(C)n2c(C[N@H+]3CCC[C@H]3C)cnc2n1 ZINC000124342648 387613144 /nfs/dbraw/zinc/61/31/44/387613144.db2.gz NVLFXPSSOXSNDY-LLVKDONJSA-N 1 0 244.342 2.330 10 0 BEAERO Cc1nnc(C[N@H+]2[C@H](C)CC[C@@H]2C)n1C1CC1 ZINC000122924810 387615959 /nfs/dbraw/zinc/61/59/59/387615959.db2.gz MGNSBSJGEAJYQM-AOOOYVTPSA-N 1 0 234.347 2.294 10 0 BEAERO CCSCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000122926743 387617307 /nfs/dbraw/zinc/61/73/07/387617307.db2.gz ROPNMUIYZYGDFC-RYUDHWBXSA-N 1 0 229.389 2.383 10 0 BEAERO C[NH2+][C@@H]1COC[C@H]1c1ccc(Cl)s1 ZINC000575532537 387550805 /nfs/dbraw/zinc/55/08/05/387550805.db2.gz WJDSNLUNLRMHIB-RNFRBKRXSA-N 1 0 217.721 2.103 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000122581296 387551940 /nfs/dbraw/zinc/55/19/40/387551940.db2.gz UXQKSRPBQMKHOO-RNJOBUHISA-N 1 0 229.364 2.061 10 0 BEAERO CCOC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000122579597 387552130 /nfs/dbraw/zinc/55/21/30/387552130.db2.gz PCSAETZKFMTBEG-RWMBFGLXSA-N 1 0 229.364 2.062 10 0 BEAERO C[C@@H]1CS[C@@]2(CC[C@H](C)SC2)[NH2+]1 ZINC000575534359 387555390 /nfs/dbraw/zinc/55/53/90/387555390.db2.gz IWYMWHQZTYUXMF-HRDYMLBCSA-N 1 0 203.376 2.323 10 0 BEAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035139687 387555379 /nfs/dbraw/zinc/55/53/79/387555379.db2.gz GRTWSLPJXSNJBO-ZJUUUORDSA-N 1 0 240.372 2.313 10 0 BEAERO C[C@@H]1CS[C@@]2(CC[C@@H](C)SC2)[NH2+]1 ZINC000575534365 387556281 /nfs/dbraw/zinc/55/62/81/387556281.db2.gz IWYMWHQZTYUXMF-IWSPIJDZSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@@H]([NH2+]CC1CC1)c1nnc2n1CCCCC2 ZINC000037140770 387560063 /nfs/dbraw/zinc/56/00/63/387560063.db2.gz BTETWMLUGWPNFP-SNVBAGLBSA-N 1 0 234.347 2.065 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284198481 387576945 /nfs/dbraw/zinc/57/69/45/387576945.db2.gz BPJZJYPCCVRPDD-PWSUYJOCSA-N 1 0 249.358 2.041 10 0 BEAERO CC[C@@H](C(=O)N[C@H](C)c1ccc(C)o1)[NH+](C)C ZINC000124796342 387632003 /nfs/dbraw/zinc/63/20/03/387632003.db2.gz GAZZISYFTCJVRH-MNOVXSKESA-N 1 0 238.331 2.105 10 0 BEAERO COC[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124899239 387637272 /nfs/dbraw/zinc/63/72/72/387637272.db2.gz VBWBTSYUXJEEEA-FQUUOJAGSA-N 1 0 241.375 2.037 10 0 BEAERO [NH3+][C@H]1C/C(=C/Br)C12CCC2 ZINC000575547194 387638536 /nfs/dbraw/zinc/63/85/36/387638536.db2.gz YBJYMIRMYOKKNI-RBSILHGTSA-N 1 0 202.095 2.167 10 0 BEAERO C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000422731686 387640714 /nfs/dbraw/zinc/64/07/14/387640714.db2.gz OAGSXVRVOOXANM-DTWKUNHWSA-N 1 0 240.297 2.223 10 0 BEAERO COc1cc(C)nc(C[NH2+]CC2CCC2)c1 ZINC000125957441 387668848 /nfs/dbraw/zinc/66/88/48/387668848.db2.gz QSPMENQGJMABBM-UHFFFAOYSA-N 1 0 220.316 2.288 10 0 BEAERO Cn1cc([C@@H]2CC[N@H+](CC(C)(C)C)C2)cn1 ZINC000128544529 387749648 /nfs/dbraw/zinc/74/96/48/387749648.db2.gz QDYIFRCQDALHBY-LLVKDONJSA-N 1 0 221.348 2.256 10 0 BEAERO Cc1cc(C)cc(N(C)C2CC[NH2+]CC2)c1 ZINC000049986674 177905692 /nfs/dbraw/zinc/90/56/92/177905692.db2.gz SPZMWJLDOIJITA-UHFFFAOYSA-N 1 0 218.344 2.492 10 0 BEAERO CC[C@@]1([NH3+])CCN(Cc2ccccc2)[C@@H]1C ZINC000575562206 387700918 /nfs/dbraw/zinc/70/09/18/387700918.db2.gz ZHXPTTZXIIJRLF-TZMCWYRMSA-N 1 0 218.344 2.388 10 0 BEAERO C[C@@H]1CC[C@@]([NH3+])(c2cnsc2)CS1 ZINC000575573307 387754958 /nfs/dbraw/zinc/75/49/58/387754958.db2.gz XARUJMYOTWVSOO-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO C/C=C/[C@@H]([NH3+])c1ccncc1Br ZINC000575562668 387704267 /nfs/dbraw/zinc/70/42/67/387704267.db2.gz AWCFFWQRJRZVAB-GKQMSVHHSA-N 1 0 227.105 2.420 10 0 BEAERO Cc1ccc(C[N@@H+]2CCCC[C@@H](CO)C2)o1 ZINC000377236841 387705874 /nfs/dbraw/zinc/70/58/74/387705874.db2.gz GSNARFXNCPDEPI-GFCCVEGCSA-N 1 0 223.316 2.182 10 0 BEAERO C[C@H]1C[C@@]([NH3+])(c2ccsc2Cl)CO1 ZINC000575564597 387720651 /nfs/dbraw/zinc/72/06/51/387720651.db2.gz GKXMIKLAYPLGQU-RCOVLWMOSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H]1N(Cc2ccccc2)CC[C@]1([NH3+])C1CC1 ZINC000575568790 387730317 /nfs/dbraw/zinc/73/03/17/387730317.db2.gz OGUWHMQSYNAZPZ-IUODEOHRSA-N 1 0 230.355 2.388 10 0 BEAERO C[C@@H]1COC[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000575570550 387738322 /nfs/dbraw/zinc/73/83/22/387738322.db2.gz KOAFXEJPUSMCRN-MUWHJKNJSA-N 1 0 217.721 2.222 10 0 BEAERO C[C@@H]1SCCC[C@@]1([NH3+])c1ccsn1 ZINC000575571190 387740219 /nfs/dbraw/zinc/74/02/19/387740219.db2.gz IFRAPEHSRQLUPI-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO Cc1cc(C)cc(C(=O)N(CC[NH3+])C(C)C)c1 ZINC000041160377 177891689 /nfs/dbraw/zinc/89/16/89/177891689.db2.gz BBCJIYYNNRWRPA-UHFFFAOYSA-N 1 0 234.343 2.113 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000528019103 387825634 /nfs/dbraw/zinc/82/56/34/387825634.db2.gz QZNDMVZVPKCTGR-MCIGGMRASA-N 1 0 209.333 2.070 10 0 BEAERO C[C@@H](c1cccc(F)c1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193607300 387857578 /nfs/dbraw/zinc/85/75/78/387857578.db2.gz NANBYOXSXHPZJR-FPMFFAJLSA-N 1 0 248.345 2.380 10 0 BEAERO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C2CCC2)C1 ZINC000194869000 387898200 /nfs/dbraw/zinc/89/82/00/387898200.db2.gz YACZMYFVUTVQMZ-AWEZNQCLSA-N 1 0 239.359 2.450 10 0 BEAERO CCC(CC)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195061335 387902750 /nfs/dbraw/zinc/90/27/50/387902750.db2.gz DIGFMJBJRYDFTO-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO c1ccc2c(c1)ccnc2NC[C@@H]1CCC[NH2+]1 ZINC000168718530 387904800 /nfs/dbraw/zinc/90/48/00/387904800.db2.gz LDZQSNWADAGINB-LBPRGKRZSA-N 1 0 227.311 2.399 10 0 BEAERO [NH3+]C[C@@H](CO)Cc1ccc(-c2ccccc2)cc1 ZINC000019387366 387905093 /nfs/dbraw/zinc/90/50/93/387905093.db2.gz BTANOWRULBFTTO-AWEZNQCLSA-N 1 0 241.334 2.463 10 0 BEAERO Cc1cc(C)c(C)c(C2(C[NH3+])OCCO2)c1C ZINC000049827667 177852519 /nfs/dbraw/zinc/85/25/19/177852519.db2.gz JUJSAGUCAABMSA-UHFFFAOYSA-N 1 0 235.327 2.079 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)[C@H]1C[C@H]1C ZINC000321034238 387933772 /nfs/dbraw/zinc/93/37/72/387933772.db2.gz DGOVODOQKIDSAM-MQYQWHSLSA-N 1 0 224.392 2.495 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)[C@@H]1C[C@@H]1C ZINC000321034236 387934571 /nfs/dbraw/zinc/93/45/71/387934571.db2.gz DGOVODOQKIDSAM-DGAVXFQQSA-N 1 0 224.392 2.495 10 0 BEAERO COC[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000178066846 387920591 /nfs/dbraw/zinc/92/05/91/387920591.db2.gz UAZLNIGGHULWAO-OLZOCXBDSA-N 1 0 237.343 2.216 10 0 BEAERO C[N@H+](CC1CCC1)[C@H]1Cc2ccccc2[C@H]1O ZINC000245395259 387944219 /nfs/dbraw/zinc/94/42/19/387944219.db2.gz ZKZKVLMENCYWPD-LSDHHAIUSA-N 1 0 231.339 2.377 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000250320535 135051348 /nfs/dbraw/zinc/05/13/48/135051348.db2.gz NBMFTUNBKDOAIX-OLZOCXBDSA-N 1 0 212.381 2.495 10 0 BEAERO Fc1ccc(F)c([C@H]2CSCC[NH2+]2)c1 ZINC000070588017 387990141 /nfs/dbraw/zinc/99/01/41/387990141.db2.gz CXWDDMLJROGGQK-SNVBAGLBSA-N 1 0 215.268 2.342 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C1CCC1 ZINC000645923287 387983330 /nfs/dbraw/zinc/98/33/30/387983330.db2.gz PYTRUUBTXHWGIY-STQMWFEESA-N 1 0 238.375 2.151 10 0 BEAERO CC(C)OCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245842763 387986294 /nfs/dbraw/zinc/98/62/94/387986294.db2.gz HNDZHHUSYGBIDS-KGLIPLIRSA-N 1 0 241.375 2.445 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2CCn3ccnc32)C[C@@H](C)O1 ZINC000453204961 388010020 /nfs/dbraw/zinc/01/00/20/388010020.db2.gz CEPCUUDCXKPSLD-NQBHXWOUSA-N 1 0 249.358 2.121 10 0 BEAERO CCc1ccc([C@@H]2C[NH2+][C@H](C)CO2)s1 ZINC000041062363 388018279 /nfs/dbraw/zinc/01/82/79/388018279.db2.gz DJPFIRLDTDXPQH-SCZZXKLOSA-N 1 0 211.330 2.360 10 0 BEAERO c1coc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000246187055 388018474 /nfs/dbraw/zinc/01/84/74/388018474.db2.gz SVNSCYHANHXNSE-YNEHKIRRSA-N 1 0 233.311 2.327 10 0 BEAERO CCc1ccc([C@@H]2C[NH2+][C@@H](C)CO2)s1 ZINC000041062365 388018583 /nfs/dbraw/zinc/01/85/83/388018583.db2.gz DJPFIRLDTDXPQH-WPRPVWTQSA-N 1 0 211.330 2.360 10 0 BEAERO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000156821016 388036608 /nfs/dbraw/zinc/03/66/08/388036608.db2.gz BKBIKGNOLNQPHF-WXHSDQCUSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H](C[NH3+])Nc1ncc(Cl)cc1Cl ZINC000082576055 388036955 /nfs/dbraw/zinc/03/69/55/388036955.db2.gz PKLKZADNYZKYHR-RXMQYKEDSA-N 1 0 220.103 2.148 10 0 BEAERO CC[C@@H]([NH3+])CNc1ccc2ccccc2n1 ZINC000082579281 388036989 /nfs/dbraw/zinc/03/69/89/388036989.db2.gz ORHLKWHJVFKOHT-LLVKDONJSA-N 1 0 215.300 2.384 10 0 BEAERO Cc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084228105 388075282 /nfs/dbraw/zinc/07/52/82/388075282.db2.gz BPFWZANVUHDMJP-KBPBESRZSA-N 1 0 219.328 2.246 10 0 BEAERO CC[C@H]1CCCC[N@@H+]1Cc1nnc(C)n1CC ZINC000195007401 388081929 /nfs/dbraw/zinc/08/19/29/388081929.db2.gz AMYKAYPCWMLMAX-LBPRGKRZSA-N 1 0 236.363 2.371 10 0 BEAERO Clc1ccc2c(c1)N[C@@H]1CC[NH2+]C[C@H]21 ZINC000071484566 388095189 /nfs/dbraw/zinc/09/51/89/388095189.db2.gz WYZHKRBFEWYMLL-NXEZZACHSA-N 1 0 208.692 2.211 10 0 BEAERO C[C@@H]1CS[C@@H]([C@H]2CCCSC2)[NH2+]1 ZINC000306423127 388096685 /nfs/dbraw/zinc/09/66/85/388096685.db2.gz FDXOBJHBCMHHAE-VGMNWLOBSA-N 1 0 203.376 2.181 10 0 BEAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ccccc1Cl ZINC000071518909 388097160 /nfs/dbraw/zinc/09/71/60/388097160.db2.gz CLMNOGRTSYKAIK-GHMZBOCLSA-N 1 0 213.708 2.357 10 0 BEAERO Cc1[nH]c2ccccc2c1[C@H]1COCC[NH2+]1 ZINC000071519757 388097731 /nfs/dbraw/zinc/09/77/31/388097731.db2.gz CEJANMLRGVSCMM-GFCCVEGCSA-N 1 0 216.284 2.137 10 0 BEAERO c1csc([C@@H](C2CCC2)N2CC[NH2+]CC2)c1 ZINC000071547501 388098655 /nfs/dbraw/zinc/09/86/55/388098655.db2.gz CCDCKNHUPREZSD-CYBMUJFWSA-N 1 0 236.384 2.495 10 0 BEAERO c1n[nH]cc1C[NH2+][C@H]1CCc2ccccc21 ZINC000038005820 388099361 /nfs/dbraw/zinc/09/93/61/388099361.db2.gz RQFXHIVARGDJJK-ZDUSSCGKSA-N 1 0 213.284 2.187 10 0 BEAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CC1CC1 ZINC000086929425 388110993 /nfs/dbraw/zinc/11/09/93/388110993.db2.gz CMPTWQXDHNFCLT-ZIAGYGMSSA-N 1 0 222.376 2.345 10 0 BEAERO CCn1c(C)nnc1C[N@H+](CC)CC(C)C ZINC000195430853 388163544 /nfs/dbraw/zinc/16/35/44/388163544.db2.gz RLYGRVPFYXYVAM-UHFFFAOYSA-N 1 0 224.352 2.084 10 0 BEAERO CCc1nnc(C[N@@H+](CC)[C@H](C)C(C)C)n1C ZINC000195432684 388164041 /nfs/dbraw/zinc/16/40/41/388164041.db2.gz OSBJOQADLYFUHH-LLVKDONJSA-N 1 0 238.379 2.244 10 0 BEAERO CC[N@H+](Cc1nnnn1C(C)C)[C@@H](C)C(C)C ZINC000195432736 388164217 /nfs/dbraw/zinc/16/42/17/388164217.db2.gz YERXKVCTASVXHI-NSHDSACASA-N 1 0 239.367 2.120 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000165036332 388250369 /nfs/dbraw/zinc/25/03/69/388250369.db2.gz NBGGFFGTABLERX-BXKDBHETSA-N 1 0 209.289 2.050 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000165052089 388250383 /nfs/dbraw/zinc/25/03/83/388250383.db2.gz LQAULZROQFBQAF-GXSJLCMTSA-N 1 0 239.388 2.487 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000165051984 388250612 /nfs/dbraw/zinc/25/06/12/388250612.db2.gz LQAULZROQFBQAF-MWLCHTKSSA-N 1 0 239.388 2.487 10 0 BEAERO C[C@H]1CC(C[NH2+]CC2(O)CCCC2)C[C@H](C)O1 ZINC000518966281 256639528 /nfs/dbraw/zinc/63/95/28/256639528.db2.gz KAMLUZKMLQMXHG-RYUDHWBXSA-N 1 0 241.375 2.085 10 0 BEAERO C[C@@](F)(c1cncs1)[C@@H]1CCC[NH2+]1 ZINC000575518982 388355774 /nfs/dbraw/zinc/35/57/74/388355774.db2.gz XQLWSWXMZFACHG-CBAPKCEASA-N 1 0 200.282 2.080 10 0 BEAERO F[C@@H](c1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000575518687 388356243 /nfs/dbraw/zinc/35/62/43/388356243.db2.gz PXSPMWTXCOVOMF-VXNVDRBHSA-N 1 0 200.282 2.153 10 0 BEAERO C[C@@H]1CS[C@H]2CC(F)(F)CC[C@@H]2[NH2+]1 ZINC000575521179 388356789 /nfs/dbraw/zinc/35/67/89/388356789.db2.gz YARWSNZULMWZPT-CSMHCCOUSA-N 1 0 207.289 2.268 10 0 BEAERO C[C@H](C[NH3+])Nc1cccc(Br)c1F ZINC000575523224 388358896 /nfs/dbraw/zinc/35/88/96/388358896.db2.gz HAPYFIBIHFIHCJ-ZCFIWIBFSA-N 1 0 247.111 2.347 10 0 BEAERO Cc1c(C[NH2+]C2(C(C)C)CC2)cnn1C ZINC000292958805 388385249 /nfs/dbraw/zinc/38/52/49/388385249.db2.gz JGYZNECBAVMDOV-UHFFFAOYSA-N 1 0 207.321 2.007 10 0 BEAERO Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000294987018 388406185 /nfs/dbraw/zinc/40/61/85/388406185.db2.gz KJDXTWUCCJFWRD-GXTWGEPZSA-N 1 0 219.328 2.340 10 0 BEAERO Cc1nnc(C[NH2+][C@H]2CCC[C@H]2CCF)s1 ZINC000393788689 388441901 /nfs/dbraw/zinc/44/19/01/388441901.db2.gz BXYPOXVDJLZOSA-UWVGGRQHSA-N 1 0 243.351 2.464 10 0 BEAERO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000134176576 388474627 /nfs/dbraw/zinc/47/46/27/388474627.db2.gz YFOYIASKEULIOQ-AEJSXWLSSA-N 1 0 213.346 2.416 10 0 BEAERO C[C@H]1[C@H](O)CCCN1Cc1c(F)cccc1F ZINC000296334484 388421519 /nfs/dbraw/zinc/42/15/19/388421519.db2.gz QYEOKHYCDBYWAZ-TVQRCGJNSA-N 1 0 241.281 2.310 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000134746711 388479451 /nfs/dbraw/zinc/47/94/51/388479451.db2.gz COQVNNTWMXQORL-MWLCHTKSSA-N 1 0 237.372 2.110 10 0 BEAERO Cc1ccc([C@@H](C)NCc2cn[nH]n2)c(C)c1 ZINC000296348351 388422972 /nfs/dbraw/zinc/42/29/72/388422972.db2.gz QWLWTCONFAMPCB-LLVKDONJSA-N 1 0 230.315 2.272 10 0 BEAERO C[C@@H]1[C@@H](O)CCCN1Cc1ccnc(Cl)c1 ZINC000296464127 388424171 /nfs/dbraw/zinc/42/41/71/388424171.db2.gz XOHPMISYYBDSON-KOLCDFICSA-N 1 0 240.734 2.080 10 0 BEAERO Cc1cc(C)cc(C(=O)[C@H]2CCC[NH2+]2)c1 ZINC000041211911 388434019 /nfs/dbraw/zinc/43/40/19/388434019.db2.gz KWDMQEFOUXVLNS-GFCCVEGCSA-N 1 0 203.285 2.238 10 0 BEAERO CC[C@H]([NH2+][C@@H](CCOC)COC)[C@H]1CC1(C)C ZINC000397645100 388487257 /nfs/dbraw/zinc/48/72/57/388487257.db2.gz ZKJNNLMOUBBDGL-XQQFMLRXSA-N 1 0 243.391 2.452 10 0 BEAERO CC[C@H]([NH2+]C(COC)COC)[C@@H]1CC1(C)C ZINC000397689475 388490749 /nfs/dbraw/zinc/49/07/49/388490749.db2.gz MSQXYHUDVUHUSL-RYUDHWBXSA-N 1 0 229.364 2.062 10 0 BEAERO CCC[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CC1(C)C ZINC000397754613 388496297 /nfs/dbraw/zinc/49/62/97/388496297.db2.gz CQXUPZHNPNNOFB-GRYCIOLGSA-N 1 0 238.375 2.069 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCO[C@@H]21 ZINC000397760910 388497196 /nfs/dbraw/zinc/49/71/96/388497196.db2.gz VNSHGCXHKGFMOZ-JOGIVDDZSA-N 1 0 221.344 2.188 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000397801856 388500661 /nfs/dbraw/zinc/50/06/61/388500661.db2.gz MRTONOGBCPYHPC-SDDRHHMPSA-N 1 0 210.365 2.105 10 0 BEAERO CCC[C@@H](C(=O)N(C)C[C@@H](C)CC)[NH+](C)C ZINC000178658643 388503143 /nfs/dbraw/zinc/50/31/43/388503143.db2.gz UWICGRZRBHIKJF-RYUDHWBXSA-N 1 0 228.380 2.221 10 0 BEAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000344069127 388504629 /nfs/dbraw/zinc/50/46/29/388504629.db2.gz KVLVIYDIJJVSRW-JHJVBQTASA-N 1 0 238.375 2.071 10 0 BEAERO CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)nc1 ZINC000345102975 388511253 /nfs/dbraw/zinc/51/12/53/388511253.db2.gz OUTMESNILOSISL-RISCZKNCSA-N 1 0 234.343 2.301 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])[C@@H](OCC(F)F)[C@@H](C)C1 ZINC000130524730 388617341 /nfs/dbraw/zinc/61/73/41/388617341.db2.gz MZEOJXQFBNKBRC-JIOCBJNQSA-N 1 0 207.264 2.030 10 0 BEAERO [NH3+]C[C@H]1C[C@H]1c1ccc(Br)o1 ZINC000054561736 388594251 /nfs/dbraw/zinc/59/42/51/388594251.db2.gz RBVZHUIPZBFEJT-PHDIDXHHSA-N 1 0 216.078 2.104 10 0 BEAERO CCC[C@@H](C)[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000187682130 388610902 /nfs/dbraw/zinc/61/09/02/388610902.db2.gz YPXUAGDBBKIPMY-ZIAGYGMSSA-N 1 0 242.407 2.218 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@]1([NH3+])C(=O)OC(C)(C)C ZINC000521400303 256863452 /nfs/dbraw/zinc/86/34/52/256863452.db2.gz DTLQHSDBHQTSBR-ZANVPECISA-N 1 0 227.348 2.482 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1[C@H]3COC[C@H]31)CC2 ZINC000367710742 388567351 /nfs/dbraw/zinc/56/73/51/388567351.db2.gz YPCPHMMXEQXCDD-LVQVYYBASA-N 1 0 243.350 2.464 10 0 BEAERO CC(C)C1(C[NH2+]CC2=CCCOC2)CC1 ZINC000124809954 388665893 /nfs/dbraw/zinc/66/58/93/388665893.db2.gz NRDPIPKXAULFSL-UHFFFAOYSA-N 1 0 209.333 2.359 10 0 BEAERO CCc1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)n1C ZINC000247536753 388666242 /nfs/dbraw/zinc/66/62/42/388666242.db2.gz OSXGTXUDHQCHRN-NWDGAFQWSA-N 1 0 248.374 2.142 10 0 BEAERO CC[C@H]1CC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000125206479 388669721 /nfs/dbraw/zinc/66/97/21/388669721.db2.gz DSWWNBZPLUSTKY-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)OCC ZINC000530236905 388638236 /nfs/dbraw/zinc/63/82/36/388638236.db2.gz ZPSXQKJEYOJXIZ-JHJVBQTASA-N 1 0 229.364 2.085 10 0 BEAERO CCn1ccnc1C[S@@](=O)c1ccoc1C ZINC000189638551 388640723 /nfs/dbraw/zinc/64/07/23/388640723.db2.gz AGTXIRIKKBHTAQ-MRXNPFEDSA-N 1 0 238.312 2.112 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000246718959 388650101 /nfs/dbraw/zinc/65/01/01/388650101.db2.gz LOPFPMXYHWTZJZ-GHMZBOCLSA-N 1 0 236.363 2.227 10 0 BEAERO CCC[C@@H](CCO)C[NH2+][C@H]1CCCSC1 ZINC000128307387 388747007 /nfs/dbraw/zinc/74/70/07/388747007.db2.gz VFWOGYMKJGFKQV-RYUDHWBXSA-N 1 0 231.405 2.270 10 0 BEAERO CCCN(CC)CC[NH2+][C@@H]1CCCSC1 ZINC000128312399 388747285 /nfs/dbraw/zinc/74/72/85/388747285.db2.gz VDHGYDDEISDWHG-GFCCVEGCSA-N 1 0 230.421 2.204 10 0 BEAERO C[C@H]1SCCC[C@]1([NH3+])c1ccns1 ZINC000575453042 388748238 /nfs/dbraw/zinc/74/82/38/388748238.db2.gz DLSIZOFJAMYNHF-VXNVDRBHSA-N 1 0 214.359 2.213 10 0 BEAERO [NH3+][C@H](c1cncs1)C1CCSCC1 ZINC000575453467 388749691 /nfs/dbraw/zinc/74/96/91/388749691.db2.gz GMKDEDMPVFHHAF-VIFPVBQESA-N 1 0 214.359 2.286 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000248659962 388689622 /nfs/dbraw/zinc/68/96/22/388689622.db2.gz VRTDCOVKBRHVGQ-VXGBXAGGSA-N 1 0 236.363 2.276 10 0 BEAERO CCCC[C@H](CCC)NC(=O)[C@@H](C)[NH2+]C ZINC000226064654 388699839 /nfs/dbraw/zinc/69/98/39/388699839.db2.gz RUNHOQANRUKKHA-MNOVXSKESA-N 1 0 214.353 2.069 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000248989456 388703339 /nfs/dbraw/zinc/70/33/39/388703339.db2.gz FNCJCGMMNBIAMA-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+]CCc1csc(-c2cccs2)n1 ZINC000011956041 388712503 /nfs/dbraw/zinc/71/25/03/388712503.db2.gz VIDKLBMHEMFQMC-UHFFFAOYSA-N 1 0 210.327 2.373 10 0 in-vitro BEAERO Cc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)nc1 ZINC000127021220 388712520 /nfs/dbraw/zinc/71/25/20/388712520.db2.gz IEWQGKVZCLPXDE-OAHLLOKOSA-N 1 0 249.402 2.456 10 0 BEAERO COC[C@@H](C)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000249463384 388723158 /nfs/dbraw/zinc/72/31/58/388723158.db2.gz FZPSPAMIGXUFPH-AAEUAGOBSA-N 1 0 237.347 2.219 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1c(F)ccc(F)c1Cl ZINC000575457927 388794959 /nfs/dbraw/zinc/79/49/59/388794959.db2.gz MHTLCJWZQUAPOO-FBCQKBJTSA-N 1 0 203.619 2.433 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000227907912 388761096 /nfs/dbraw/zinc/76/10/96/388761096.db2.gz DXKXUENIYBMKEA-ZIAGYGMSSA-N 1 0 243.391 2.142 10 0 BEAERO COc1ccc([C@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091425299 388763911 /nfs/dbraw/zinc/76/39/11/388763911.db2.gz RDLMMYCOQMFWEH-ZBOXLXRLSA-N 1 0 235.327 2.117 10 0 BEAERO [NH3+]C1(c2ccc(Br)cc2)CSC1 ZINC000575463774 388831202 /nfs/dbraw/zinc/83/12/02/388831202.db2.gz YYUFZMJDQDKHNU-UHFFFAOYSA-N 1 0 244.157 2.350 10 0 BEAERO Cc1ncc([C@H]([NH3+])[C@@]2(C)C[C@@H]2F)s1 ZINC000575466692 388838014 /nfs/dbraw/zinc/83/80/14/388838014.db2.gz PWNLPTIZNDHVCB-CIUDSAMLSA-N 1 0 200.282 2.199 10 0 BEAERO CCC(CC)CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000129880869 388873209 /nfs/dbraw/zinc/87/32/09/388873209.db2.gz FUXLQYHCDHXQPJ-LBPRGKRZSA-N 1 0 226.364 2.023 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]1Cc1ccncc1Br ZINC000575470596 388847472 /nfs/dbraw/zinc/84/74/72/388847472.db2.gz KNHOHOSWQMXGSN-PSASIEDQSA-N 1 0 241.132 2.124 10 0 BEAERO Cc1cc(-c2nnc(CC[NH3+])s2)ccc1F ZINC000075430126 177693798 /nfs/dbraw/zinc/69/37/98/177693798.db2.gz TUFRDWSPEINGSX-UHFFFAOYSA-N 1 0 237.303 2.154 10 0 BEAERO C[NH2+][C@H]1CO[C@H](c2ccc(Cl)s2)C1 ZINC000575505983 388991405 /nfs/dbraw/zinc/99/14/05/388991405.db2.gz BJKWRWIFXBKFOW-RQJHMYQMSA-N 1 0 217.721 2.451 10 0 BEAERO C[NH2+][C@@H]1CO[C@@H](c2ccc(Cl)s2)C1 ZINC000575505978 388991906 /nfs/dbraw/zinc/99/19/06/388991906.db2.gz BJKWRWIFXBKFOW-NKWVEPMBSA-N 1 0 217.721 2.451 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2cc(Br)cs2)C1 ZINC000575507994 388992944 /nfs/dbraw/zinc/99/29/44/388992944.db2.gz JOKIEYNLXJGJTM-RNFRBKRXSA-N 1 0 248.145 2.299 10 0 BEAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000274326800 389046560 /nfs/dbraw/zinc/04/65/60/389046560.db2.gz AAIZHZBCYSWJTG-LOWVWBTDSA-N 1 0 220.316 2.218 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1ccc(C)cc1 ZINC000016945041 132323601 /nfs/dbraw/zinc/32/36/01/132323601.db2.gz GPJNXWUMJFMXQC-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO CC[C@H]1CN(c2ccc(C)cc2)CC[NH2+]1 ZINC000016944795 132323610 /nfs/dbraw/zinc/32/36/10/132323610.db2.gz JXSLAGMROSMLSV-LBPRGKRZSA-N 1 0 204.317 2.183 10 0 BEAERO C[NH2+]C1CCN(c2cc(F)ccc2C)CC1 ZINC000037242037 132343820 /nfs/dbraw/zinc/34/38/20/132343820.db2.gz LQDVGKBTQJNADG-UHFFFAOYSA-N 1 0 222.307 2.322 10 0 BEAERO Cc1cc(N2CCC([NH3+])CC2)ccc1F ZINC000043470559 132353414 /nfs/dbraw/zinc/35/34/14/132353414.db2.gz RHDSZLQRNKBGMT-UHFFFAOYSA-N 1 0 208.280 2.062 10 0 BEAERO C[C@@H]1COCCN1c1ccc(Cl)cc1C[NH3+] ZINC000052856748 132362685 /nfs/dbraw/zinc/36/26/85/132362685.db2.gz RXPCKSGYMRZTCD-SECBINFHSA-N 1 0 240.734 2.024 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(Cl)cn1 ZINC000053706541 132363325 /nfs/dbraw/zinc/36/33/25/132363325.db2.gz AGRIBXWYEQUHJE-NSHDSACASA-N 1 0 239.750 2.313 10 0 BEAERO C[C@@H](NCc1cc(F)ccc1F)[C@H]1CC[NH2+]C1 ZINC000400353149 533440568 /nfs/dbraw/zinc/44/05/68/533440568.db2.gz NNVFIACMRNNBEM-ZJUUUORDSA-N 1 0 240.297 2.052 10 0 BEAERO CC(C)CCN(C)C(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055141556 166831990 /nfs/dbraw/zinc/83/19/90/166831990.db2.gz KCKKJBQQSHTIFE-AGIUHOORSA-N 1 0 240.391 2.254 10 0 BEAERO CC(C)CCN(C)C(=O)[C@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000055141557 166832823 /nfs/dbraw/zinc/83/28/23/166832823.db2.gz KCKKJBQQSHTIFE-AVGNSLFASA-N 1 0 240.391 2.254 10 0 BEAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCO[C@@H](C)C1 ZINC000019872139 132328546 /nfs/dbraw/zinc/32/85/46/132328546.db2.gz BLWGSZVGANSYJO-VHSXEESVSA-N 1 0 238.306 2.071 10 0 BEAERO C[C@H]([NH3+])c1cc(F)ccc1N1CCSCC1 ZINC000020257410 132330432 /nfs/dbraw/zinc/33/04/32/132330432.db2.gz BCYMELDADVIYPX-VIFPVBQESA-N 1 0 240.347 2.399 10 0 BEAERO Cc1ccc(N2CCC([NH3+])CC2)c(F)c1 ZINC000020372454 132331503 /nfs/dbraw/zinc/33/15/03/132331503.db2.gz NWLONJLJTFJYKB-UHFFFAOYSA-N 1 0 208.280 2.062 10 0 BEAERO CC[C@@H](C[NH3+])N1CCCc2ccccc21 ZINC000022178525 132332664 /nfs/dbraw/zinc/33/26/64/132332664.db2.gz PVSJCJZSPCRCSF-LBPRGKRZSA-N 1 0 204.317 2.177 10 0 BEAERO [NH3+][C@H]1CCCN(c2ccc(Cl)cc2)C1 ZINC000033426952 132335735 /nfs/dbraw/zinc/33/57/35/132335735.db2.gz SRSANAAMPXYLRN-JTQLQIEISA-N 1 0 210.708 2.268 10 0 BEAERO CC(C)[NH+]1CCN(c2ccccc2C=O)CC1 ZINC000035543021 132338648 /nfs/dbraw/zinc/33/86/48/132338648.db2.gz AZRWVXJYDOKLAK-UHFFFAOYSA-N 1 0 232.327 2.030 10 0 BEAERO CCC[NH2+]Cc1ccccc1N1CCOC[C@@H]1C ZINC000035777775 132339479 /nfs/dbraw/zinc/33/94/79/132339479.db2.gz WIGBQIFIRIJUBU-ZDUSSCGKSA-N 1 0 248.370 2.411 10 0 BEAERO Cc1c(Cl)cccc1N1CC[NH2+]C[C@@H]1C ZINC000035904841 132339953 /nfs/dbraw/zinc/33/99/53/132339953.db2.gz JCFNGCGLBWBQHZ-VIFPVBQESA-N 1 0 224.735 2.447 10 0 BEAERO C[NH+](C)C1CCN(c2ccccc2C=O)CC1 ZINC000036192463 132340759 /nfs/dbraw/zinc/34/07/59/132340759.db2.gz LIEXDHKCDZKZCY-UHFFFAOYSA-N 1 0 232.327 2.030 10 0 BEAERO CC[C@H]([NH3+])CN1CCCc2ccccc21 ZINC000036871997 132342786 /nfs/dbraw/zinc/34/27/86/132342786.db2.gz ZSJGBFNGMOZCFG-LBPRGKRZSA-N 1 0 204.317 2.177 10 0 BEAERO CC[C@@H]([NH3+])CN1CCCc2ccccc21 ZINC000036871998 132342813 /nfs/dbraw/zinc/34/28/13/132342813.db2.gz ZSJGBFNGMOZCFG-GFCCVEGCSA-N 1 0 204.317 2.177 10 0 BEAERO CN1c2ccccc2[C@@H]([NH2+]CC2CCC2)CC1=O ZINC000037253899 132344221 /nfs/dbraw/zinc/34/42/21/132344221.db2.gz MIORZEQWTYBITF-ZDUSSCGKSA-N 1 0 244.338 2.484 10 0 BEAERO [NH3+]C1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000037483527 132344753 /nfs/dbraw/zinc/34/47/53/132344753.db2.gz JQKOMTFGMYEDAL-UHFFFAOYSA-N 1 0 228.698 2.407 10 0 BEAERO [NH3+]C1(C(=O)N2CCCc3ccccc32)CCCC1 ZINC000037616066 132345142 /nfs/dbraw/zinc/34/51/42/132345142.db2.gz QSLMIYHUPLNUDM-UHFFFAOYSA-N 1 0 244.338 2.237 10 0 BEAERO Nc1cccc2c1CCCN2CC[NH+]1CCCC1 ZINC000037906225 132345559 /nfs/dbraw/zinc/34/55/59/132345559.db2.gz RQANOZCRSIVWNM-UHFFFAOYSA-N 1 0 245.370 2.117 10 0 BEAERO CC(C)c1cc(C(C)C)nc(N2CC[NH2+]CC2)n1 ZINC000038284881 132346071 /nfs/dbraw/zinc/34/60/71/132346071.db2.gz CCNUCZUXSMNITE-UHFFFAOYSA-N 1 0 248.374 2.133 10 0 BEAERO C[NH+](C)CC1CCN(c2cccc(N)c2)CC1 ZINC000042392994 132351059 /nfs/dbraw/zinc/35/10/59/132351059.db2.gz DNXWRVAFJAKXDI-UHFFFAOYSA-N 1 0 233.359 2.047 10 0 BEAERO C[NH+](C)CC1CCN(c2ccccc2C=O)CC1 ZINC000042394410 132351121 /nfs/dbraw/zinc/35/11/21/132351121.db2.gz OKNSDLPAWPJSFX-UHFFFAOYSA-N 1 0 246.354 2.277 10 0 BEAERO CC[NH2+]CCN1c2ccccc2CC[C@H]1C ZINC000042409349 132351529 /nfs/dbraw/zinc/35/15/29/132351529.db2.gz QVZZDRZMTITVHY-GFCCVEGCSA-N 1 0 218.344 2.437 10 0 BEAERO CC[C@@H]([NH3+])Cc1ccc2c(c1)CCCN2C ZINC000044407052 132353982 /nfs/dbraw/zinc/35/39/82/132353982.db2.gz YBPGJURYSJDBQW-CYBMUJFWSA-N 1 0 218.344 2.349 10 0 BEAERO C[C@@H]1CN(c2cccc3ncccc32)CC[C@@H]1[NH3+] ZINC000049707481 132356705 /nfs/dbraw/zinc/35/67/05/132356705.db2.gz WRSKEXGQPLDQSR-YPMHNXCESA-N 1 0 241.338 2.408 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccccc2OC)C[C@H]1C ZINC000049694229 132356836 /nfs/dbraw/zinc/35/68/36/132356836.db2.gz YAXANNIALANOIN-NEPJUHHUSA-N 1 0 234.343 2.129 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(F)c(F)c1F ZINC000049707803 132356904 /nfs/dbraw/zinc/35/69/04/132356904.db2.gz TVRQOMDZUIUQQO-YUMQZZPRSA-N 1 0 244.260 2.420 10 0 BEAERO CCOc1ccccc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049708171 132356998 /nfs/dbraw/zinc/35/69/98/132356998.db2.gz XIYGATVLSCMJAV-NWDGAFQWSA-N 1 0 234.343 2.401 10 0 BEAERO Cc1ccc(F)cc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049709625 132357403 /nfs/dbraw/zinc/35/74/03/132357403.db2.gz BOAHNANVTRAITP-PWSUYJOCSA-N 1 0 222.307 2.308 10 0 BEAERO COc1cccc(N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049709838 132357518 /nfs/dbraw/zinc/35/75/18/132357518.db2.gz CZSHLKNYPFPVOZ-WDEREUQCSA-N 1 0 220.316 2.011 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(F)c2F)C[C@H]1C ZINC000049713145 132357916 /nfs/dbraw/zinc/35/79/16/132357916.db2.gz GUNYGAFLMQGIJJ-KOLCDFICSA-N 1 0 240.297 2.399 10 0 BEAERO C[NH2+][C@H]1CCN(c2cccc(F)c2F)C[C@@H]1C ZINC000049713146 132357920 /nfs/dbraw/zinc/35/79/20/132357920.db2.gz GUNYGAFLMQGIJJ-ONGXEEELSA-N 1 0 240.297 2.399 10 0 BEAERO CCCc1cc(N)nc(N2CCCCC2)[nH+]1 ZINC000050845806 132359546 /nfs/dbraw/zinc/35/95/46/132359546.db2.gz HFUHJDHZJMIYID-UHFFFAOYSA-N 1 0 220.320 2.002 10 0 BEAERO CC[C@@H]1CCCCN1c1cccc(C[NH3+])n1 ZINC000051396650 132360067 /nfs/dbraw/zinc/36/00/67/132360067.db2.gz MYPVRTSLACUODJ-GFCCVEGCSA-N 1 0 219.332 2.309 10 0 BEAERO [NH3+]Cc1ccc(N2CCCc3ccccc32)nn1 ZINC000051396467 132360147 /nfs/dbraw/zinc/36/01/47/132360147.db2.gz WGMWSDZAFWHANP-UHFFFAOYSA-N 1 0 240.310 2.020 10 0 BEAERO C[C@@H]1CCCCN1c1ccc(C[NH2+]C2CC2)nn1 ZINC000051399464 132360757 /nfs/dbraw/zinc/36/07/57/132360757.db2.gz AREDQFRQQFUQNO-LLVKDONJSA-N 1 0 246.358 2.107 10 0 BEAERO Cc1ccc(C[NH3+])c(N2CCOC(C)(C)C2)c1 ZINC000051579149 132361490 /nfs/dbraw/zinc/36/14/90/132361490.db2.gz PNPOAAYMGMBTSJ-UHFFFAOYSA-N 1 0 234.343 2.069 10 0 BEAERO Cc1nnc(N2CC[C@H](C)C[C@@H]2C)c(C[NH3+])c1C ZINC000051728469 132361591 /nfs/dbraw/zinc/36/15/91/132361591.db2.gz OOKVDTCZBMUQCD-UWVGGRQHSA-N 1 0 248.374 2.177 10 0 BEAERO C[NH2+]Cc1ccc(N2CC[C@@H](C)C[C@H]2C)nc1 ZINC000051748978 132361708 /nfs/dbraw/zinc/36/17/08/132361708.db2.gz HNYRLATVZQHNMF-VXGBXAGGSA-N 1 0 233.359 2.426 10 0 BEAERO CC(C)C[NH2+]C[C@@H]1CCCCN1c1cnccn1 ZINC000053700571 132363128 /nfs/dbraw/zinc/36/31/28/132363128.db2.gz ZPOADZRNBZXBGK-ZDUSSCGKSA-N 1 0 248.374 2.081 10 0 BEAERO c1ccc(N2CCCC[C@H]2C[NH2+]C2CC2)nc1 ZINC000053699799 132363163 /nfs/dbraw/zinc/36/31/63/132363163.db2.gz DWCYDICLOOBKRA-ZDUSSCGKSA-N 1 0 231.343 2.193 10 0 BEAERO [NH3+]CCC1CCN(c2ncccc2Cl)CC1 ZINC000053705699 132363462 /nfs/dbraw/zinc/36/34/62/132363462.db2.gz KDNJVXQZFRLSDW-UHFFFAOYSA-N 1 0 239.750 2.300 10 0 BEAERO Fc1cccnc1N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000054701007 132364845 /nfs/dbraw/zinc/36/48/45/132364845.db2.gz YPSJKCZAHQKIFF-YPMHNXCESA-N 1 0 249.333 2.189 10 0 BEAERO CCC[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000058111911 132367948 /nfs/dbraw/zinc/36/79/48/132367948.db2.gz VVJYXHOEYRZVIA-GFCCVEGCSA-N 1 0 232.327 2.396 10 0 BEAERO COc1ccccc1N1CC(C)(C)[NH2+]C[C@@H]1C ZINC000058445770 132368116 /nfs/dbraw/zinc/36/81/16/132368116.db2.gz MSADRYKIMUQWIK-NSHDSACASA-N 1 0 234.343 2.272 10 0 BEAERO CN1c2ccc([C@H]([NH3+])C3CC3)cc2CCC1=O ZINC000062806483 132388608 /nfs/dbraw/zinc/38/86/08/132388608.db2.gz GFHWBOQSVFLHHZ-CQSZACIVSA-N 1 0 230.311 2.005 10 0 BEAERO C[C@@H]1CN(c2ccc(F)cc2F)[C@H](C)C[NH2+]1 ZINC000071532800 132393471 /nfs/dbraw/zinc/39/34/71/132393471.db2.gz NCOLLMFYEJVOME-RKDXNWHRSA-N 1 0 226.270 2.151 10 0 BEAERO C[C@H]1CN(c2ccc(F)c(F)c2F)[C@@H](C)C[NH2+]1 ZINC000071558820 132394449 /nfs/dbraw/zinc/39/44/49/132394449.db2.gz ZGAOGSULGBGEAS-YUMQZZPRSA-N 1 0 244.260 2.291 10 0 BEAERO Cc1ccc(F)c(N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000083085280 132420240 /nfs/dbraw/zinc/42/02/40/132420240.db2.gz OCNKCOKDHWLCAB-MNOVXSKESA-N 1 0 222.307 2.321 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1ccc(F)cc1C ZINC000083086471 132420493 /nfs/dbraw/zinc/42/04/93/132420493.db2.gz KFUKQUHOABHRDN-LBPRGKRZSA-N 1 0 222.307 2.322 10 0 BEAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733349 132427483 /nfs/dbraw/zinc/42/74/83/132427483.db2.gz UVQYJOJRQLQJEI-CHWSQXEVSA-N 1 0 248.374 2.080 10 0 BEAERO COCC[C@@H]([NH3+])CN1C[C@H](C)Cc2ccccc21 ZINC000104169732 132435804 /nfs/dbraw/zinc/43/58/04/132435804.db2.gz NKVXXUPGHIJHOW-TZMCWYRMSA-N 1 0 248.370 2.049 10 0 BEAERO CC1CC([NH2+][C@H]2CC(=O)N(C)c3ccccc32)C1 ZINC000163394322 132445083 /nfs/dbraw/zinc/44/50/83/132445083.db2.gz VCAASQHFSBFBPO-XIVSLSHWSA-N 1 0 244.338 2.482 10 0 BEAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000165542283 133663184 /nfs/dbraw/zinc/66/31/84/133663184.db2.gz QOGFWWANQHJVHJ-DRZSPHRISA-N 1 0 211.349 2.436 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@H]2CCCOCC2)C[C@@H](C)O1 ZINC000343626429 133699863 /nfs/dbraw/zinc/69/98/63/133699863.db2.gz XECGMWGUDBBUKN-BZPMIXESSA-N 1 0 241.375 2.349 10 0 BEAERO C[C@H](C[N@@H+]1CCOCC2(CC2)C1)C(F)(F)F ZINC000335975407 134030737 /nfs/dbraw/zinc/03/07/37/134030737.db2.gz OYAQNXKHHWCXHA-SECBINFHSA-N 1 0 237.265 2.297 10 0 BEAERO OC1(CC[NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000336170478 134114647 /nfs/dbraw/zinc/11/46/47/134114647.db2.gz GKDHZJODNXVKHK-VXGBXAGGSA-N 1 0 209.333 2.023 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H]2CCCC2(F)F)CCO1 ZINC000336192432 134124199 /nfs/dbraw/zinc/12/41/99/134124199.db2.gz PLDQBSRMIPNWJH-UWVGGRQHSA-N 1 0 219.275 2.143 10 0 BEAERO CC(C)OCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000171499350 134258963 /nfs/dbraw/zinc/25/89/63/134258963.db2.gz HNDZHHUSYGBIDS-UONOGXRCSA-N 1 0 241.375 2.445 10 0 BEAERO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000219024648 134273455 /nfs/dbraw/zinc/27/34/55/134273455.db2.gz FNEXJZHNAKCNDI-HIFRSBDPSA-N 1 0 249.354 2.336 10 0 BEAERO CC[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000174970406 134283936 /nfs/dbraw/zinc/28/39/36/134283936.db2.gz TUSURIYFFDMRBX-YNEHKIRRSA-N 1 0 238.375 2.118 10 0 BEAERO CCC[C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177035819 134294357 /nfs/dbraw/zinc/29/43/57/134294357.db2.gz KMRGEGQVSRFYHO-OLZOCXBDSA-N 1 0 240.391 2.365 10 0 BEAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C1CCCCC1 ZINC000177311132 134299416 /nfs/dbraw/zinc/29/94/16/134299416.db2.gz ZAFBGVKMONASGN-AAEUAGOBSA-N 1 0 248.374 2.151 10 0 BEAERO O[C@]12CCCC[C@@H]1C[N@H+](CC1CCC1)CC2 ZINC000220382821 134305968 /nfs/dbraw/zinc/30/59/68/134305968.db2.gz GCXBFFXXMWWSRD-KGLIPLIRSA-N 1 0 223.360 2.414 10 0 BEAERO CC(C)=CC[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000178771666 134311412 /nfs/dbraw/zinc/31/14/12/134311412.db2.gz JLWWRBVRSPTWOV-UHFFFAOYSA-N 1 0 242.326 2.323 10 0 BEAERO c1cncc(O[C@@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC000178999197 134313955 /nfs/dbraw/zinc/31/39/55/134313955.db2.gz TXAGYMDFWAWOHX-CYBMUJFWSA-N 1 0 218.300 2.087 10 0 BEAERO Cc1noc(C2CC[NH+](C3CCC3)CC2)n1 ZINC000178984907 134314231 /nfs/dbraw/zinc/31/42/31/134314231.db2.gz LDZAGLSCDOMTJQ-UHFFFAOYSA-N 1 0 221.304 2.110 10 0 BEAERO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180596031 134330050 /nfs/dbraw/zinc/33/00/50/134330050.db2.gz OGHRXKVNJLRJPW-IJLUTSLNSA-N 1 0 248.374 2.007 10 0 BEAERO CN1c2ccccc2[C@H]([NH2+]CC2(C)CC2)CC1=O ZINC000222189316 134330092 /nfs/dbraw/zinc/33/00/92/134330092.db2.gz UTXNKCIRGCJLDS-GFCCVEGCSA-N 1 0 244.338 2.484 10 0 BEAERO COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000183276358 134352792 /nfs/dbraw/zinc/35/27/92/134352792.db2.gz LEGIIEZONVASSV-RFQIPJPRSA-N 1 0 243.391 2.044 10 0 BEAERO CCC[C@@H](C(=O)N1CCCC2(CC2)C1)[NH+](C)C ZINC000184129153 134359115 /nfs/dbraw/zinc/35/91/15/134359115.db2.gz ALFDZEZKFHYOJU-LBPRGKRZSA-N 1 0 238.375 2.119 10 0 BEAERO CCC[C@@H](C(=O)N1CCCC[C@H](C)C1)[NH+](C)C ZINC000184441550 134361243 /nfs/dbraw/zinc/36/12/43/134361243.db2.gz NXFAQASBJSTXNZ-STQMWFEESA-N 1 0 240.391 2.365 10 0 BEAERO CC(C)n1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)cn1 ZINC000226240987 134362078 /nfs/dbraw/zinc/36/20/78/134362078.db2.gz CSYMIXWSBXVSHQ-WCQYABFASA-N 1 0 237.347 2.121 10 0 BEAERO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nnc(C)n1CC ZINC000185596198 134382526 /nfs/dbraw/zinc/38/25/26/134382526.db2.gz ADJGEMJDIICIKG-ZYHUDNBSSA-N 1 0 236.363 2.227 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189942104 134554432 /nfs/dbraw/zinc/55/44/32/134554432.db2.gz RXXUUPBDYPRNKV-JTQLQIEISA-N 1 0 224.352 2.167 10 0 BEAERO CCC(CC)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000192389302 134584273 /nfs/dbraw/zinc/58/42/73/134584273.db2.gz RCDSIEMIGJXWEP-GFCCVEGCSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@H]([NH2+]CCOC1CCCCC1)[C@@H]1CCOC1 ZINC000129958199 134615366 /nfs/dbraw/zinc/61/53/66/134615366.db2.gz ODWRBBXSNPSLHQ-QWHCGFSZSA-N 1 0 241.375 2.350 10 0 BEAERO Cc1cccnc1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000051790499 134686771 /nfs/dbraw/zinc/68/67/71/134686771.db2.gz GTKJFFOPUOSSOT-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO CC(C)CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155402119 134689907 /nfs/dbraw/zinc/68/99/07/134689907.db2.gz XJCIKKGYAVTUPL-STQMWFEESA-N 1 0 240.391 2.268 10 0 BEAERO Cc1nc2ccccc2nc1N[C@H](C)CC[NH3+] ZINC000134272730 134705819 /nfs/dbraw/zinc/70/58/19/134705819.db2.gz DSLOUEFFQPHPKM-SECBINFHSA-N 1 0 230.315 2.087 10 0 BEAERO COCCC(C)(C)C[NH2+]CC1CCOCC1 ZINC000135004561 134730261 /nfs/dbraw/zinc/73/02/61/134730261.db2.gz PGFFYMJVUICQBW-UHFFFAOYSA-N 1 0 229.364 2.065 10 0 BEAERO CCC[C@@H](C)C[NH2+]C1(CC(=O)OC)CCC1 ZINC000134415224 134764357 /nfs/dbraw/zinc/76/43/57/134764357.db2.gz OJANBOOAXAJGGT-LLVKDONJSA-N 1 0 227.348 2.498 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccnc1 ZINC000245581161 134860403 /nfs/dbraw/zinc/86/04/03/134860403.db2.gz BMWILGRRLHXLQZ-FPMFFAJLSA-N 1 0 234.343 2.283 10 0 BEAERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000246611136 134956425 /nfs/dbraw/zinc/95/64/25/134956425.db2.gz LBZATFLIVBWNNZ-TUAOUCFPSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)NC(=O)CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000248369081 135000047 /nfs/dbraw/zinc/00/00/47/135000047.db2.gz VWPBANVBLVLADR-SWLSCSKDSA-N 1 0 246.354 2.204 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000070643459 135001129 /nfs/dbraw/zinc/00/11/29/135001129.db2.gz IQDMWKWRBCJLMN-PWSUYJOCSA-N 1 0 207.321 2.386 10 0 BEAERO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H]2c2cnn(C)c2)O1 ZINC000248883214 135025232 /nfs/dbraw/zinc/02/52/32/135025232.db2.gz GRUVHJDPCXUKDL-XBFCOCLRSA-N 1 0 249.358 2.125 10 0 BEAERO C[C@@H]1CC[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)O1 ZINC000248955718 135027200 /nfs/dbraw/zinc/02/72/00/135027200.db2.gz OLIOHSDDAJFBGD-AAVRWANBSA-N 1 0 239.359 2.197 10 0 BEAERO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](C)O)C12CCCC2 ZINC000249288105 135028042 /nfs/dbraw/zinc/02/80/42/135028042.db2.gz PZAFICOGPLGYDL-YNEHKIRRSA-N 1 0 241.375 2.037 10 0 BEAERO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](C)O)C12CCCC2 ZINC000249288101 135028782 /nfs/dbraw/zinc/02/87/82/135028782.db2.gz PZAFICOGPLGYDL-RWMBFGLXSA-N 1 0 241.375 2.037 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000249614942 135042329 /nfs/dbraw/zinc/04/23/29/135042329.db2.gz TYSUAUATUFGURP-NEPJUHHUSA-N 1 0 222.332 2.415 10 0 BEAERO C[C@@H]1CC([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[C@@H](C)O1 ZINC000249770174 135045394 /nfs/dbraw/zinc/04/53/94/135045394.db2.gz BPKHBFCVPVBNDL-HECBCWNYSA-N 1 0 239.359 2.100 10 0 BEAERO CCC(CC)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000163694448 135049874 /nfs/dbraw/zinc/04/98/74/135049874.db2.gz CXPGJYUSVNFWMY-ZDUSSCGKSA-N 1 0 226.364 2.071 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cn2ccnc2)C1 ZINC000251711533 135074473 /nfs/dbraw/zinc/07/44/73/135074473.db2.gz RIMSHCFHCJAUAK-UPJWGTAASA-N 1 0 221.348 2.440 10 0 BEAERO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](C)C(=O)OC ZINC000251800351 135077843 /nfs/dbraw/zinc/07/78/43/135077843.db2.gz YDACQRAQPPBTKT-GARJFASQSA-N 1 0 213.321 2.058 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000238851011 135078666 /nfs/dbraw/zinc/07/86/66/135078666.db2.gz DRLRFWDAPVSVSX-VXGBXAGGSA-N 1 0 226.270 2.059 10 0 BEAERO COC(=O)[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252112751 135083969 /nfs/dbraw/zinc/08/39/69/135083969.db2.gz HZURGLNHYMLOLV-WHOHXGKFSA-N 1 0 227.348 2.210 10 0 BEAERO COc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2O)c1 ZINC000252390840 135087605 /nfs/dbraw/zinc/08/76/05/135087605.db2.gz PAUHBRVYNYUYEQ-UONOGXRCSA-N 1 0 235.327 2.040 10 0 BEAERO COCC[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252715185 135101425 /nfs/dbraw/zinc/10/14/25/135101425.db2.gz UWAZCYUJTWCRCT-IHRRRGAJSA-N 1 0 241.375 2.038 10 0 BEAERO CS[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252744429 135106327 /nfs/dbraw/zinc/10/63/27/135106327.db2.gz RVZMPJREYOWZRP-GWOFURMSSA-N 1 0 229.389 2.141 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)C1 ZINC000252799016 135110693 /nfs/dbraw/zinc/11/06/93/135110693.db2.gz QRJLTQRXVOGYSQ-IJLUTSLNSA-N 1 0 226.364 2.068 10 0 BEAERO CCOC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000253206334 135124478 /nfs/dbraw/zinc/12/44/78/135124478.db2.gz GHZTUFJFKORUPR-IJLUTSLNSA-N 1 0 241.375 2.205 10 0 BEAERO C[C@@H](CCC[NH3+])Nc1ccncc1Cl ZINC000087362263 135126648 /nfs/dbraw/zinc/12/66/48/135126648.db2.gz AWTXASVBTRKYCR-QMMMGPOBSA-N 1 0 213.712 2.274 10 0 BEAERO [NH3+][C@H]1CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261533086 135164157 /nfs/dbraw/zinc/16/41/57/135164157.db2.gz KALUORYYDAPINQ-QWRGUYRKSA-N 1 0 232.318 2.235 10 0 BEAERO NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261533072 135164288 /nfs/dbraw/zinc/16/42/88/135164288.db2.gz FSBRYYUMRHERDW-MNOVXSKESA-N 1 0 232.318 2.235 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000261533101 135164361 /nfs/dbraw/zinc/16/43/61/135164361.db2.gz PXHODGAAXOXNAI-MXWKQRLJSA-N 1 0 232.318 2.091 10 0 BEAERO C[C@@H]1C[NH2+]CCN1C[C@H]1CCCC(F)(F)C1 ZINC000261533089 135164390 /nfs/dbraw/zinc/16/43/90/135164390.db2.gz MCVXOAYSZMDWRJ-MNOVXSKESA-N 1 0 232.318 2.106 10 0 BEAERO Cc1nc(CN2CC[C@H](C)C[C@H]2C[NH3+])cs1 ZINC000261534510 135166601 /nfs/dbraw/zinc/16/66/01/135166601.db2.gz RNKGMQVJVDDNOS-CABZTGNLSA-N 1 0 239.388 2.011 10 0 BEAERO CC(C)(C)CC[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261534370 135166717 /nfs/dbraw/zinc/16/67/17/135166717.db2.gz MCTDZFXENUJIFH-NSHDSACASA-N 1 0 212.381 2.482 10 0 BEAERO C[C@@H]1CCN(c2ccncc2Cl)[C@H](C[NH3+])C1 ZINC000261534452 135166863 /nfs/dbraw/zinc/16/68/63/135166863.db2.gz QJNKEXDNRSXBMN-ZJUUUORDSA-N 1 0 239.750 2.299 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1nc(C)cc(C)n1 ZINC000087780204 135169033 /nfs/dbraw/zinc/16/90/33/135169033.db2.gz ILNPAMCNSWWESM-NSHDSACASA-N 1 0 222.336 2.023 10 0 BEAERO CCc1csc(N2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000261535254 135169585 /nfs/dbraw/zinc/16/95/85/135169585.db2.gz XIVUCHBAEZYOTJ-KOLCDFICSA-N 1 0 239.388 2.269 10 0 BEAERO Cc1nccc(C[NH2+]C[C@]2(C)CCCS2)n1 ZINC000087793216 135172233 /nfs/dbraw/zinc/17/22/33/135172233.db2.gz QIYXCKLIYWQRLM-LBPRGKRZSA-N 1 0 237.372 2.160 10 0 BEAERO C[NH2+]C[C@H]1CCCN1C[C@H]1CCCC(F)(F)C1 ZINC000261538212 135175169 /nfs/dbraw/zinc/17/51/69/135175169.db2.gz SHSNVGWNJXGSBF-NWDGAFQWSA-N 1 0 246.345 2.496 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000261554874 135194769 /nfs/dbraw/zinc/19/47/69/135194769.db2.gz PGICCSZHWSDYDD-BZPMIXESSA-N 1 0 238.375 2.153 10 0 BEAERO CC(C)c1cc(N2CC[C@@H]([NH3+])C(C)(C)C2)ncn1 ZINC000261556352 135196243 /nfs/dbraw/zinc/19/62/43/135196243.db2.gz BXYNOFRUXFXCTD-GFCCVEGCSA-N 1 0 248.374 2.164 10 0 BEAERO C[C@H](c1cccnc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567048 135209726 /nfs/dbraw/zinc/20/97/26/135209726.db2.gz ZLBSUPRUOSSGTN-YPMHNXCESA-N 1 0 233.359 2.202 10 0 BEAERO CC1CCC(C[NH2+]CCN2CCCC2)CC1 ZINC000084330849 135211475 /nfs/dbraw/zinc/21/14/75/135211475.db2.gz JHIXXFARBFUMCW-UHFFFAOYSA-N 1 0 224.392 2.498 10 0 BEAERO C[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C1C[NH2+]C1 ZINC000164082363 135213028 /nfs/dbraw/zinc/21/30/28/135213028.db2.gz CLLBBAUOUICRFF-SNVBAGLBSA-N 1 0 240.391 2.173 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(Cl)o1 ZINC000164026623 135213431 /nfs/dbraw/zinc/21/34/31/135213431.db2.gz WAZMHYLTZFRZMR-SECBINFHSA-N 1 0 231.723 2.430 10 0 BEAERO CCCCCN(C(=O)[C@H](C)C1C[NH2+]C1)C(C)C ZINC000164215201 135216551 /nfs/dbraw/zinc/21/65/51/135216551.db2.gz XRZBYXQIPXDHSK-GFCCVEGCSA-N 1 0 240.391 2.269 10 0 BEAERO CCCCCN(C(=O)[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000164215103 135216654 /nfs/dbraw/zinc/21/66/54/135216654.db2.gz XRZBYXQIPXDHSK-LBPRGKRZSA-N 1 0 240.391 2.269 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)Nc1ccc2c(c1)COC2 ZINC000261577470 135218984 /nfs/dbraw/zinc/21/89/84/135218984.db2.gz OKBSVWACLIQDCS-AWEZNQCLSA-N 1 0 248.326 2.173 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCN1C/C=C/c1ccccc1 ZINC000261591089 135231661 /nfs/dbraw/zinc/23/16/61/135231661.db2.gz UYPYBGJOPXZSMI-BZDIYLISSA-N 1 0 216.328 2.121 10 0 BEAERO CC1(C)CN(c2ccc(Cl)cn2)CC[C@H]1[NH3+] ZINC000261591465 135231973 /nfs/dbraw/zinc/23/19/73/135231973.db2.gz VKWVGJGQEIREAV-SNVBAGLBSA-N 1 0 239.750 2.299 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000261745115 135248804 /nfs/dbraw/zinc/24/88/04/135248804.db2.gz MDXOPPXZIZXYHQ-UTUOFQBUSA-N 1 0 240.391 2.302 10 0 BEAERO C[NH2+][C@H](C)Cc1noc(/C=C/C2CCC2)n1 ZINC000261777005 135251609 /nfs/dbraw/zinc/25/16/09/135251609.db2.gz NOJBISBOLIEITB-XCODYQFDSA-N 1 0 221.304 2.033 10 0 BEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164424709 135256183 /nfs/dbraw/zinc/25/61/83/135256183.db2.gz RDSBOKZHTXZMQT-NWDGAFQWSA-N 1 0 246.354 2.028 10 0 BEAERO C[C@]1(CN2CCCc3c(N)cccc32)CC[NH2+]C1 ZINC000261891446 135260663 /nfs/dbraw/zinc/26/06/63/135260663.db2.gz TXABMJNNPRESNR-HNNXBMFYSA-N 1 0 245.370 2.021 10 0 BEAERO CC[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079025182 135266757 /nfs/dbraw/zinc/26/67/57/135266757.db2.gz DRZXOCINDOOOJH-NWDGAFQWSA-N 1 0 243.395 2.060 10 0 BEAERO C[C@H]1CN(C/C=C/c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000261985276 135269580 /nfs/dbraw/zinc/26/95/80/135269580.db2.gz JQRNDNFOJXRADY-ILUUYBRNSA-N 1 0 234.318 2.118 10 0 BEAERO CCC(CC)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262046522 135275724 /nfs/dbraw/zinc/27/57/24/135275724.db2.gz QQNIAKKVVIFQMB-LBPRGKRZSA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)N(C(=O)[C@@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000262221943 135285174 /nfs/dbraw/zinc/28/51/74/135285174.db2.gz PGCBFWABYADUTG-NSHDSACASA-N 1 0 238.375 2.022 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@H](C)C2C[NH2+]C2)cc1C ZINC000262294673 135291546 /nfs/dbraw/zinc/29/15/46/135291546.db2.gz ZBBJMQOSKOVDNF-GFCCVEGCSA-N 1 0 246.354 2.122 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262658478 135312126 /nfs/dbraw/zinc/31/21/26/135312126.db2.gz XVJSUPYPIHCXEF-XQQFMLRXSA-N 1 0 238.375 2.022 10 0 BEAERO OC1(C[N@@H+]2CCCc3ccccc3C2)CCC1 ZINC000334351282 135369034 /nfs/dbraw/zinc/36/90/34/135369034.db2.gz GILZONBRVRBDHK-UHFFFAOYSA-N 1 0 231.339 2.350 10 0 BEAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000078005550 135393241 /nfs/dbraw/zinc/39/32/41/135393241.db2.gz CGMWDRFFZXOCHO-XQQFMLRXSA-N 1 0 240.391 2.460 10 0 BEAERO C[C@H]([NH2+]Cc1ccncc1Cl)[C@@H]1CCCO1 ZINC000084084765 135464265 /nfs/dbraw/zinc/46/42/65/135464265.db2.gz FSXCKJDYDANUGC-CABZTGNLSA-N 1 0 240.734 2.392 10 0 BEAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000085356704 135481917 /nfs/dbraw/zinc/48/19/17/135481917.db2.gz DOEXPJHSIPZEJN-NWDGAFQWSA-N 1 0 232.327 2.369 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000085356894 135482028 /nfs/dbraw/zinc/48/20/28/135482028.db2.gz VKTJMHFVVXYNQV-PSASIEDQSA-N 1 0 240.253 2.031 10 0 BEAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000085356953 135482315 /nfs/dbraw/zinc/48/23/15/135482315.db2.gz RVNGPMUNPRIZHD-ZYHUDNBSSA-N 1 0 236.290 2.200 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCC1CCCCC1 ZINC000085365294 135482905 /nfs/dbraw/zinc/48/29/05/135482905.db2.gz OFJPZSUVNBILEF-STQMWFEESA-N 1 0 238.375 2.200 10 0 BEAERO Cc1cc(C)cc(N(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085373487 135483032 /nfs/dbraw/zinc/48/30/32/135483032.db2.gz QFPPXNCIJSUYCK-KBPBESRZSA-N 1 0 246.354 2.394 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1C/C=C/c1ccccc1 ZINC000086470671 135492644 /nfs/dbraw/zinc/49/26/44/135492644.db2.gz IDGZNZQZHNDNPY-YESVKVCSSA-N 1 0 230.355 2.382 10 0 BEAERO CC1(C)CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462861 135536196 /nfs/dbraw/zinc/53/61/96/135536196.db2.gz XLEVZPGZEYZZMT-VXGBXAGGSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H]1CC[C@H]([N@@H+]2CCOCC3(CC3)C2)C1 ZINC000335348813 136067789 /nfs/dbraw/zinc/06/77/89/136067789.db2.gz XIQVFQZUXQNPBF-RYUDHWBXSA-N 1 0 209.333 2.287 10 0 BEAERO Cc1cnc([C@@H](C)NCC[C@@H]2CCC[N@@H+]2C)o1 ZINC000348361553 136072350 /nfs/dbraw/zinc/07/23/50/136072350.db2.gz SXMRFDFKJJPDRD-NEPJUHHUSA-N 1 0 237.347 2.118 10 0 BEAERO Fc1ccc(CC[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000061980048 1172723283 /nfs/dbraw/zinc/72/32/83/1172723283.db2.gz PISKELXEYGULST-CQSZACIVSA-N 1 0 248.345 2.195 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000401928081 533673478 /nfs/dbraw/zinc/67/34/78/533673478.db2.gz ATGJDTSLAKKSKL-MRVWCRGKSA-N 1 0 231.339 2.029 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)NC1CCCCCC1 ZINC000054290693 322856075 /nfs/dbraw/zinc/85/60/75/322856075.db2.gz SLIBXPVUCSRJOM-GFCCVEGCSA-N 1 0 238.375 2.215 10 0 BEAERO CC(C)CN(c1cc(C(N)=[NH2+])ccn1)C(C)C ZINC000042583971 166962451 /nfs/dbraw/zinc/96/24/51/166962451.db2.gz VSLYGBAFPWKRCX-UHFFFAOYSA-N 1 0 234.347 2.236 10 0 BEAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000105919922 397786390 /nfs/dbraw/zinc/78/63/90/397786390.db2.gz WMNDIKJENGNMGC-CYBMUJFWSA-N 1 0 236.363 2.015 10 0 BEAERO CC[C@@H]1CCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000388710862 397846664 /nfs/dbraw/zinc/84/66/64/397846664.db2.gz REFXDBSMMKSVOR-IKWCTNDRSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@]1(C(=O)OCc2ccccc2)CCC[NH2+]C1 ZINC000062870989 397874013 /nfs/dbraw/zinc/87/40/13/397874013.db2.gz LCSOMAFPOXSTPG-AWEZNQCLSA-N 1 0 233.311 2.120 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2ccccc2N)CC1 ZINC000616687334 397929127 /nfs/dbraw/zinc/92/91/27/397929127.db2.gz VFVJWBWCVWONBW-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO C[C@H]1CSC(N[C@H]2CC23CCCC3)=[NH+]1 ZINC000306884127 397935602 /nfs/dbraw/zinc/93/56/02/397935602.db2.gz PZDUGKCBZDHOMZ-IUCAKERBSA-N 1 0 210.346 2.400 10 0 BEAERO [NH3+]Cc1cccc(OCc2cccnc2)c1 ZINC000020457173 397965600 /nfs/dbraw/zinc/96/56/00/397965600.db2.gz GQZHLFVVMCZVKS-UHFFFAOYSA-N 1 0 214.268 2.119 10 0 BEAERO F[C@H](c1ccns1)[C@H]1CCC[NH2+]C1 ZINC000306883691 397936014 /nfs/dbraw/zinc/93/60/14/397936014.db2.gz KRUNZPJUGHYING-CBAPKCEASA-N 1 0 200.282 2.153 10 0 BEAERO Clc1ccc(CNC2=[NH+]CCS2)o1 ZINC000575460539 397944080 /nfs/dbraw/zinc/94/40/80/397944080.db2.gz FGJDIDUWLNVYGM-UHFFFAOYSA-N 1 0 216.693 2.125 10 0 BEAERO [NH3+][C@@H]1Cc2cc(Cl)cc(Cl)c2C1 ZINC000199772552 397947308 /nfs/dbraw/zinc/94/73/08/397947308.db2.gz BIUZGUHAVKRSSA-SSDOTTSWSA-N 1 0 202.084 2.419 10 0 BEAERO [NH3+][C@H]1CCC[C@H](N=c2[nH]c3ccccc3s2)C1 ZINC000382415273 397947486 /nfs/dbraw/zinc/94/74/86/397947486.db2.gz HCDINXZPOQWKOL-UWVGGRQHSA-N 1 0 247.367 2.400 10 0 BEAERO C[C@H]1[NH+]=C(NCCCF)SC[C@H]1C ZINC000306917746 397951287 /nfs/dbraw/zinc/95/12/87/397951287.db2.gz YHWQJVFLFRYTKD-HTQZYQBOSA-N 1 0 204.314 2.063 10 0 BEAERO CC(C)(Cc1ccc(Cl)cc1)[NH2+]CCO ZINC000003623378 397920889 /nfs/dbraw/zinc/92/08/89/397920889.db2.gz DDKKBTHTVWQJQX-UHFFFAOYSA-N 1 0 227.735 2.243 10 0 in-man BEAERO FC(F)(F)c1cccc([C@@H]2CC[NH2+]C2)n1 ZINC000205162884 397997893 /nfs/dbraw/zinc/99/78/93/397997893.db2.gz VSBVFFHHDIMQNG-SSDOTTSWSA-N 1 0 216.206 2.177 10 0 BEAERO [NH3+]C[C@H]1CC[C@H](c2occc2Br)O1 ZINC000307185395 398015568 /nfs/dbraw/zinc/01/55/68/398015568.db2.gz IFXWLZBETVWZGS-HTRCEHHLSA-N 1 0 246.104 2.221 10 0 BEAERO CC(C)CCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037817944 398024007 /nfs/dbraw/zinc/02/40/07/398024007.db2.gz WFMIUMLLQZGQGS-UHFFFAOYSA-N 1 0 226.364 2.008 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2ccsc2Cl)C1 ZINC000575509605 397969291 /nfs/dbraw/zinc/96/92/91/397969291.db2.gz XYSLRRGRTDYKTK-CAHLUQPWSA-N 1 0 203.694 2.190 10 0 BEAERO C[C@@H]1C[NH2+][C@@]2(CCCSCC2)S1 ZINC000575518805 397974350 /nfs/dbraw/zinc/97/43/50/397974350.db2.gz VGKADGGJJUSHTR-BDAKNGLRSA-N 1 0 203.376 2.325 10 0 BEAERO C[C@@H]1C[C@@](F)(c2cncs2)CC[NH2+]1 ZINC000575518956 397976233 /nfs/dbraw/zinc/97/62/33/397976233.db2.gz XAPQEXHGWQGVEV-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO C[C@@]([NH3+])(c1cncc(Br)c1)C1CC1 ZINC000575558347 397981266 /nfs/dbraw/zinc/98/12/66/397981266.db2.gz CPSULRKWYJXUAF-JTQLQIEISA-N 1 0 241.132 2.428 10 0 BEAERO C/C(=C\Cl)COC1CCC([NH3+])CC1 ZINC000231996396 397989055 /nfs/dbraw/zinc/98/90/55/397989055.db2.gz HTMDCFFKVPKZIE-SOFGYWHQSA-N 1 0 203.713 2.416 10 0 BEAERO COC[C@H]([NH3+])c1ccsc1Br ZINC000575467104 397989097 /nfs/dbraw/zinc/98/90/97/397989097.db2.gz WXRVQZOETGURQS-LURJTMIESA-N 1 0 236.134 2.157 10 0 BEAERO CCOc1cc(C)c(OCC)c(C[NH3+])c1 ZINC000575721301 398067621 /nfs/dbraw/zinc/06/76/21/398067621.db2.gz JKMXYGWGJQBIBY-UHFFFAOYSA-N 1 0 209.289 2.251 10 0 BEAERO CC(C)[C@@H]1CCC(=O)[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251350754 398078481 /nfs/dbraw/zinc/07/84/81/398078481.db2.gz SGTWBAIHMXUZNB-GRYCIOLGSA-N 1 0 209.333 2.380 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000384226451 398079020 /nfs/dbraw/zinc/07/90/20/398079020.db2.gz ACWALQHUONGXNX-GHMZBOCLSA-N 1 0 248.326 2.027 10 0 BEAERO Cc1nc2ccccc2c(C(C)(C)[NH3+])n1 ZINC000083283829 398089158 /nfs/dbraw/zinc/08/91/58/398089158.db2.gz LNZMHSDPOCVSFN-UHFFFAOYSA-N 1 0 201.273 2.132 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)CC(C)(C)O1 ZINC000383873668 398090129 /nfs/dbraw/zinc/09/01/29/398090129.db2.gz IERASLWGERUXGX-AGIUHOORSA-N 1 0 241.375 2.037 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000649811175 398117770 /nfs/dbraw/zinc/11/77/70/398117770.db2.gz IITMNLRUJUECNO-CYBMUJFWSA-N 1 0 241.375 2.086 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389712729 398127433 /nfs/dbraw/zinc/12/74/33/398127433.db2.gz XOJPGCWEIOOOKL-MFKMUULPSA-N 1 0 248.374 2.318 10 0 BEAERO [NH3+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000070012819 398122313 /nfs/dbraw/zinc/12/23/13/398122313.db2.gz HWWBHTWGTFSJNX-LBPRGKRZSA-N 1 0 225.719 2.390 10 0 BEAERO C[NH2+]CC(=O)c1ccc(C)c(Br)c1 ZINC000082550311 173335684 /nfs/dbraw/zinc/33/56/84/173335684.db2.gz QBYMFRSZFBHRGK-UHFFFAOYSA-N 1 0 242.116 2.160 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000401963861 533675082 /nfs/dbraw/zinc/67/50/82/533675082.db2.gz RDUMFDWRXVLNML-OUAUKWLOSA-N 1 0 233.302 2.125 10 0 BEAERO COC[C@H]([NH3+])Cc1c(C)cc(C)cc1C ZINC000053301428 174575292 /nfs/dbraw/zinc/57/52/92/174575292.db2.gz UJAJQUSPPPFZEL-GFCCVEGCSA-N 1 0 207.317 2.128 10 0 BEAERO CC(C)[NH2+]CCn1ncc2ccccc21 ZINC000050525117 167108184 /nfs/dbraw/zinc/10/81/84/167108184.db2.gz YTLHZLUGBGWHGG-UHFFFAOYSA-N 1 0 203.289 2.034 10 0 BEAERO CC(C)[NH2+]C[C@@](C)(O)c1c(F)cccc1F ZINC000055033066 167113165 /nfs/dbraw/zinc/11/31/65/167113165.db2.gz YQYXBBVZBIWYSN-GFCCVEGCSA-N 1 0 229.270 2.170 10 0 BEAERO CC(C)[NH2+]Cc1nc(-c2cccs2)n[nH]1 ZINC000054700239 167120953 /nfs/dbraw/zinc/12/09/53/167120953.db2.gz FNFJHEVJFFHBOD-UHFFFAOYSA-N 1 0 222.317 2.031 10 0 BEAERO CC(C)[NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1 ZINC000062720346 167133243 /nfs/dbraw/zinc/13/32/43/167133243.db2.gz FJZCSQKKPBSNRN-JTQLQIEISA-N 1 0 233.233 2.135 10 0 BEAERO Clc1cnccc1NC[C@@H]1CCCC[NH2+]1 ZINC000086839746 487562339 /nfs/dbraw/zinc/56/23/39/487562339.db2.gz PHMCCOVEYZFTMF-VIFPVBQESA-N 1 0 225.723 2.289 10 0 BEAERO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000308860507 487565377 /nfs/dbraw/zinc/56/53/77/487565377.db2.gz VCQZYIGXMWTJGP-XQQFMLRXSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C1CC1 ZINC000324274498 487567151 /nfs/dbraw/zinc/56/71/51/487567151.db2.gz ONBSYVASRGJSKG-DRZSPHRISA-N 1 0 211.349 2.436 10 0 BEAERO CC(C)OCCC[NH2+]CCN(C)CC(C)(C)C ZINC000053440835 167220495 /nfs/dbraw/zinc/22/04/95/167220495.db2.gz SNDIHQNVSVCDLM-UHFFFAOYSA-N 1 0 244.423 2.369 10 0 BEAERO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000086907923 487584393 /nfs/dbraw/zinc/58/43/93/487584393.db2.gz XWETXAQKBJCJCV-VXGBXAGGSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H](C[NH3+])CNc1ccc2ccccc2n1 ZINC000083387626 487588388 /nfs/dbraw/zinc/58/83/88/487588388.db2.gz PHNJJMWSBFFMRU-SNVBAGLBSA-N 1 0 215.300 2.242 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(F)cc1F ZINC000658350116 487591851 /nfs/dbraw/zinc/59/18/51/487591851.db2.gz BFISABPZVWBSNI-SILCLGDVSA-N 1 0 241.281 2.386 10 0 BEAERO CC[C@H](NC(=O)c1cccc2c1C[NH2+]C2)C(C)C ZINC000662410388 409702120 /nfs/dbraw/zinc/70/21/20/409702120.db2.gz YZAKXEFYBLEBJZ-AWEZNQCLSA-N 1 0 246.354 2.454 10 0 BEAERO CCC(C)(C)[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000662627514 409796656 /nfs/dbraw/zinc/79/66/56/409796656.db2.gz ZUNVTJBMKZELLV-GHMZBOCLSA-N 1 0 228.380 2.301 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](CC)CC[C@@H]1C ZINC000662890610 409969078 /nfs/dbraw/zinc/96/90/78/409969078.db2.gz YDOTVHLITQLLHZ-MROQNXINSA-N 1 0 240.391 2.397 10 0 BEAERO CCOc1ccccc1[C@@H]1C[NH2+]C[C@H]1CF ZINC000409422708 409995651 /nfs/dbraw/zinc/99/56/51/409995651.db2.gz JWLCAAGRENMMDA-ZYHUDNBSSA-N 1 0 223.291 2.358 10 0 BEAERO CCOc1ccccc1[C@H]1C[NH2+]C[C@@H]1CF ZINC000409422706 409995730 /nfs/dbraw/zinc/99/57/30/409995730.db2.gz JWLCAAGRENMMDA-JQWIXIFHSA-N 1 0 223.291 2.358 10 0 BEAERO Brc1cc(C2CC[NH2+]CC2)ccn1 ZINC000044122001 166096090 /nfs/dbraw/zinc/09/60/90/166096090.db2.gz CHXXMGNVICOEPI-UHFFFAOYSA-N 1 0 241.132 2.311 10 0 BEAERO Brc1ccc(C[C@@H]2CCC[NH2+]2)o1 ZINC000083326759 166097113 /nfs/dbraw/zinc/09/71/13/166097113.db2.gz ALIHSXGJWTZARW-ZETCQYMHSA-N 1 0 230.105 2.337 10 0 BEAERO Brc1ccc([C@@H]2C[NH2+]CO2)s1 ZINC000082547304 166099530 /nfs/dbraw/zinc/09/95/30/166099530.db2.gz IUQWKMZCMQWQSU-YFKPBYRVSA-N 1 0 234.118 2.129 10 0 BEAERO Cc1sccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000309052441 410210863 /nfs/dbraw/zinc/21/08/63/410210863.db2.gz QODZZSXBYZKPFO-VXGBXAGGSA-N 1 0 225.357 2.450 10 0 BEAERO Cc1sccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000309052440 410211489 /nfs/dbraw/zinc/21/14/89/410211489.db2.gz QODZZSXBYZKPFO-RYUDHWBXSA-N 1 0 225.357 2.450 10 0 BEAERO CC(C)CC[N@H+](CCC(=O)NC(C)C)C1CC1 ZINC000046512361 410178375 /nfs/dbraw/zinc/17/83/75/410178375.db2.gz XIYAKXYGHPMFFP-UHFFFAOYSA-N 1 0 240.391 2.412 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(F)c1 ZINC000128865338 410365349 /nfs/dbraw/zinc/36/53/49/410365349.db2.gz HUCDRLSQOUHGAV-NSHDSACASA-N 1 0 224.279 2.138 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H](C)C(C)(C)C ZINC000128952685 410366050 /nfs/dbraw/zinc/36/60/50/410366050.db2.gz CTCMVBFZAMAXQH-GHMZBOCLSA-N 1 0 228.380 2.253 10 0 BEAERO CCN(CC)C(=O)C[NH2+]CCC1=CCCCC1 ZINC000049825278 169749828 /nfs/dbraw/zinc/74/98/28/169749828.db2.gz LFATWZHCWXITPA-UHFFFAOYSA-N 1 0 238.375 2.335 10 0 BEAERO CC(C)(C)[NH2+]CCn1ncc2ccccc21 ZINC000050525124 166632221 /nfs/dbraw/zinc/63/22/21/166632221.db2.gz HBRJDBPESAMJOZ-UHFFFAOYSA-N 1 0 217.316 2.424 10 0 BEAERO CC(C)(C)[NH2+]CCn1cc(Br)cn1 ZINC000042410479 166632330 /nfs/dbraw/zinc/63/23/30/166632330.db2.gz SQTVNOGZDVAGPV-UHFFFAOYSA-N 1 0 246.152 2.034 10 0 BEAERO CC(C)(C)OC(=O)N(CC[NH3+])C1CCCC1 ZINC000058040373 166643804 /nfs/dbraw/zinc/64/38/04/166643804.db2.gz PLGVKICJVCBSQF-UHFFFAOYSA-N 1 0 228.336 2.125 10 0 BEAERO CC(C)(C)OC(=O)N1CCC(=CCC[NH3+])CC1 ZINC000098090099 166645768 /nfs/dbraw/zinc/64/57/68/166645768.db2.gz KOYSZFLQFIIMDL-UHFFFAOYSA-N 1 0 240.347 2.293 10 0 BEAERO CC(C)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107530379 166706237 /nfs/dbraw/zinc/70/62/37/166706237.db2.gz SGDNTIPMOCAOTB-ZDUSSCGKSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C(C)C)c(C)c1 ZINC000037765416 487618385 /nfs/dbraw/zinc/61/83/85/487618385.db2.gz MSYZMLDVYSZXJQ-CYBMUJFWSA-N 1 0 248.370 2.479 10 0 BEAERO CC[NH+](CC)CCCC(=O)Nc1cccc(N)c1 ZINC000022153656 169769704 /nfs/dbraw/zinc/76/97/04/169769704.db2.gz SPWNWWPHGZRGPS-UHFFFAOYSA-N 1 0 249.358 2.329 10 0 BEAERO CC(C)C1CCC([NH3+])(c2cncnc2)CC1 ZINC000054557401 166757180 /nfs/dbraw/zinc/75/71/80/166757180.db2.gz UCBKPNAWPSXOPH-UHFFFAOYSA-N 1 0 219.332 2.477 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000655484611 410754840 /nfs/dbraw/zinc/75/48/40/410754840.db2.gz XVWZXANHUWDGEI-ZWNOBZJWSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])[C@H]1C ZINC000062098563 166809201 /nfs/dbraw/zinc/80/92/01/166809201.db2.gz ULEPYESOVWJELC-XQQFMLRXSA-N 1 0 240.391 2.302 10 0 BEAERO CC(C)CCCOC[C@H](O)C[NH2+][C@@H](C)C1CC1 ZINC000037889499 166818885 /nfs/dbraw/zinc/81/88/85/166818885.db2.gz CNXIAATUKIURLD-GXTWGEPZSA-N 1 0 243.391 2.188 10 0 BEAERO CC(C)CCN(C(=O)C1([NH3+])CCCC1)C1CC1 ZINC000037807068 166825468 /nfs/dbraw/zinc/82/54/68/166825468.db2.gz YOJQMSXFGREWJW-UHFFFAOYSA-N 1 0 238.375 2.295 10 0 BEAERO CC(C)CN(C)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055126490 166932440 /nfs/dbraw/zinc/93/24/40/166932440.db2.gz SWXGOWYDOJHLCY-NEPJUHHUSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)CN(c1ccc(C(N)=[NH2+])cn1)C(C)C ZINC000042583966 166962169 /nfs/dbraw/zinc/96/21/69/166962169.db2.gz AJYSTZFJMYAHRQ-UHFFFAOYSA-N 1 0 234.347 2.236 10 0 BEAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000040852360 410894614 /nfs/dbraw/zinc/89/46/14/410894614.db2.gz WOCIJGCOGUTDAX-GZMMTYOYSA-N 1 0 240.734 2.255 10 0 BEAERO CC(C)C[NH2+]C[C@H](C)CN(C)Cc1ccncc1 ZINC000052480905 167006818 /nfs/dbraw/zinc/00/68/18/167006818.db2.gz ZNBIRGAVWSMEAO-AWEZNQCLSA-N 1 0 249.402 2.395 10 0 BEAERO CC(C)C[NH2+]C[C@H]1C[C@H]1C1CCOCC1 ZINC000054598364 167007571 /nfs/dbraw/zinc/00/75/71/167007571.db2.gz HUYPYXPHRISBNZ-OLZOCXBDSA-N 1 0 211.349 2.295 10 0 BEAERO CC(C)C[NH2+]Cc1cnc(-c2cccnc2)[nH]1 ZINC000062821620 167008579 /nfs/dbraw/zinc/00/85/79/167008579.db2.gz ZILLDHREBGKAOF-UHFFFAOYSA-N 1 0 230.315 2.217 10 0 BEAERO CC(C)C[NH2+]Cc1ccc2nccnc2c1 ZINC000061415090 167009503 /nfs/dbraw/zinc/00/95/03/167009503.db2.gz YKNHLQCQIZLKOD-UHFFFAOYSA-N 1 0 215.300 2.375 10 0 BEAERO CC(C)C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000047889493 167009713 /nfs/dbraw/zinc/00/97/13/167009713.db2.gz VQNPKKOSFUVGTQ-UHFFFAOYSA-N 1 0 230.315 2.013 10 0 BEAERO CC(C)C[NH2+][C@H]1CCCN(C(C)(C)C)C1 ZINC000073653477 167014647 /nfs/dbraw/zinc/01/46/47/167014647.db2.gz HGBYUTGBCJBIAV-LBPRGKRZSA-N 1 0 212.381 2.495 10 0 BEAERO CC(C)C[NH2+][C@H]1CCC[C@H]1n1ccnc1 ZINC000037106654 167014847 /nfs/dbraw/zinc/01/48/47/167014847.db2.gz UWKYPMBVWIMYBR-NWDGAFQWSA-N 1 0 207.321 2.222 10 0 BEAERO CC(C)[N@@H+]1CC[C@H](Nc2cccc(O)c2)C1 ZINC000045651007 167024885 /nfs/dbraw/zinc/02/48/85/167024885.db2.gz VSMHRAPRCATGQZ-LBPRGKRZSA-N 1 0 220.316 2.287 10 0 BEAERO CC(C)NC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000052042610 167034994 /nfs/dbraw/zinc/03/49/94/167034994.db2.gz UYPCMNMPSLPQOZ-LLVKDONJSA-N 1 0 233.315 2.033 10 0 BEAERO CC(C)[NH2+]C1CCN(Cc2cncs2)CC1 ZINC000128364525 167094918 /nfs/dbraw/zinc/09/49/18/167094918.db2.gz UJIOFXMZJKXYJG-UHFFFAOYSA-N 1 0 239.388 2.106 10 0 BEAERO CC(C)[NH2+]CCN1CCC[C@@H]1c1nccs1 ZINC000309325875 167103643 /nfs/dbraw/zinc/10/36/43/167103643.db2.gz GOKZTWSBEVASNJ-LLVKDONJSA-N 1 0 239.388 2.278 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000309637121 167106270 /nfs/dbraw/zinc/10/62/70/167106270.db2.gz SYNKHLGBIOLEFL-KGLIPLIRSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)Cc1ccc(F)c(Cl)c1 ZINC000071560286 167111869 /nfs/dbraw/zinc/11/18/69/167111869.db2.gz NYRBSQBPAVHEGD-JTQLQIEISA-N 1 0 245.725 2.381 10 0 BEAERO CC(C)[NH2+]C[C@H]1CCCCN1Cc1ccno1 ZINC000104409073 167115563 /nfs/dbraw/zinc/11/55/63/167115563.db2.gz STFPQDYGRJYOET-GFCCVEGCSA-N 1 0 237.347 2.027 10 0 BEAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1ccccn1 ZINC000054594997 167117500 /nfs/dbraw/zinc/11/75/00/167117500.db2.gz LGVUEEFLQHUWCH-YPMHNXCESA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]Cc1ccnc(-c2ccco2)n1 ZINC000054791823 167120981 /nfs/dbraw/zinc/12/09/81/167120981.db2.gz WEKSVFOCSMZIGC-UHFFFAOYSA-N 1 0 217.272 2.235 10 0 BEAERO CC(C)[NH2+]Cc1ccnc(C(C)(C)C)n1 ZINC000054791753 167121983 /nfs/dbraw/zinc/12/19/83/167121983.db2.gz ZRQCTUWLBGRSNM-UHFFFAOYSA-N 1 0 207.321 2.272 10 0 BEAERO CC(C)[NH2+][C@@H](CCO)Cc1ccsc1 ZINC000095088367 167132337 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BEAERO C[C@H]1C[C@H](C[NH2+]CC(C)(C)O)C[C@@H](C)C1 ZINC000656682529 411321919 /nfs/dbraw/zinc/32/19/19/411321919.db2.gz UDICSBGLHSSGPW-GDNZZTSVSA-N 1 0 213.365 2.419 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)c1ccccc1 ZINC000128851687 411248875 /nfs/dbraw/zinc/24/88/75/411248875.db2.gz XZOSHSOWVDVWOG-LBPRGKRZSA-N 1 0 220.316 2.023 10 0 BEAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccsc1 ZINC000658350368 411352079 /nfs/dbraw/zinc/35/20/79/411352079.db2.gz CWYHXQDLFHPRFJ-FKTRJACZSA-N 1 0 211.330 2.170 10 0 BEAERO OCC1CC([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000658350963 411352722 /nfs/dbraw/zinc/35/27/22/411352722.db2.gz IXDPMFZSPKWRSM-UHFFFAOYSA-N 1 0 235.371 2.172 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]C2CC(CO)C2)c1 ZINC000658351849 411353597 /nfs/dbraw/zinc/35/35/97/411353597.db2.gz PZTGKLLCLOQTCF-DCBWTQNWSA-N 1 0 219.328 2.417 10 0 BEAERO OCC1CC([NH2+][C@H]2CCc3ccccc32)C1 ZINC000658351188 411353953 /nfs/dbraw/zinc/35/39/53/411353953.db2.gz KWNHLEKZOYICAX-OVGLSYRBSA-N 1 0 217.312 2.034 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]C2CC(CO)C2)c1 ZINC000658351852 411354077 /nfs/dbraw/zinc/35/40/77/411354077.db2.gz PZTGKLLCLOQTCF-LKSINWNRSA-N 1 0 219.328 2.417 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccccc1 ZINC000658351861 411354701 /nfs/dbraw/zinc/35/47/01/411354701.db2.gz QBVJVMADGGUJFB-ZBOXLXRLSA-N 1 0 205.301 2.108 10 0 BEAERO C[C@@H](CCc1ccccc1)[NH2+]C1CC(CO)C1 ZINC000658352502 411355280 /nfs/dbraw/zinc/35/52/80/411355280.db2.gz XUCOSIZWKQWZDQ-GRTSSRMGSA-N 1 0 233.355 2.368 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000130498574 411355285 /nfs/dbraw/zinc/35/52/85/411355285.db2.gz DOJOXTBUNBXSJV-KYOSRNDESA-N 1 0 249.354 2.216 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1cc(CC)nc(C)n1 ZINC000130525018 411357808 /nfs/dbraw/zinc/35/78/08/411357808.db2.gz MFMIFCXXFSIMTG-LBPRGKRZSA-N 1 0 236.363 2.277 10 0 BEAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@@]1(C)CO ZINC000662143037 411366224 /nfs/dbraw/zinc/36/62/24/411366224.db2.gz MSWQXDVVFOGSHA-INWMFGNUSA-N 1 0 245.366 2.277 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000659339620 411366934 /nfs/dbraw/zinc/36/69/34/411366934.db2.gz JXEZANDUCJLABA-TUAOUCFPSA-N 1 0 240.391 2.302 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000659341009 411369836 /nfs/dbraw/zinc/36/98/36/411369836.db2.gz XYCKNGFVGYZRCO-HBNTYKKESA-N 1 0 226.364 2.055 10 0 BEAERO Cc1cc2ccccc2nc1N1CC[C@H](C[NH3+])C1 ZINC000063106355 411341697 /nfs/dbraw/zinc/34/16/97/411341697.db2.gz AYMQOVUYEBFEED-GFCCVEGCSA-N 1 0 241.338 2.328 10 0 BEAERO CC1(C)[C@H](C[NH3+])[C@H]1c1ccc2c(c1)OCO2 ZINC000076647305 168004484 /nfs/dbraw/zinc/00/44/84/168004484.db2.gz YSUKWWXHRBXRKS-BXKDBHETSA-N 1 0 219.284 2.114 10 0 BEAERO CC1(C)[C@H](c2ccccc2)[N+](=O)C=CN1O ZINC000006394566 168009700 /nfs/dbraw/zinc/00/97/00/168009700.db2.gz PQLPCSUMCUOAJY-NSHDSACASA-N 1 0 219.264 2.461 10 0 BEAERO CC1(C)[C@H]2CC[C@]1(C)[C@@H]([NH+]1CCNCC1)C2 ZINC000215756160 168010559 /nfs/dbraw/zinc/01/05/59/168010559.db2.gz IICWXHFZZQZANF-SGMGOOAPSA-N 1 0 222.376 2.106 10 0 BEAERO CC1(C[N@@H+]2CCC[C@H]2CCCO)CCC1 ZINC000308997344 168024629 /nfs/dbraw/zinc/02/46/29/168024629.db2.gz QDTGAMRMAIXZKT-LBPRGKRZSA-N 1 0 211.349 2.414 10 0 BEAERO CC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000300359952 168045748 /nfs/dbraw/zinc/04/57/48/168045748.db2.gz SMCSFWIWJYVJKX-HBNTYKKESA-N 1 0 209.333 2.190 10 0 BEAERO CC1(C[NH2+][C@H]2CCOc3ccccc32)COC1 ZINC000079475274 168046141 /nfs/dbraw/zinc/04/61/41/168046141.db2.gz KJBIPXHLZFEBNR-LBPRGKRZSA-N 1 0 233.311 2.136 10 0 BEAERO CC1(C[NH2+][C@H]2CCC[C@@H]2CCF)COC1 ZINC000336753822 168046450 /nfs/dbraw/zinc/04/64/50/168046450.db2.gz HUJHVGSEMOKDSO-MNOVXSKESA-N 1 0 215.312 2.141 10 0 BEAERO CC1(O)CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000160851396 168067005 /nfs/dbraw/zinc/06/70/05/168067005.db2.gz NMTWNZRHOYVAJK-ZDUSSCGKSA-N 1 0 231.339 2.173 10 0 BEAERO CC1=C(C)C[N@@H+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000336088887 168086403 /nfs/dbraw/zinc/08/64/03/168086403.db2.gz OJVMNQYTGGEMCR-STQMWFEESA-N 1 0 209.333 2.332 10 0 BEAERO CC1CC([NH2+]C[C@H]2CCCn3ccnc32)C1 ZINC000334522336 168145056 /nfs/dbraw/zinc/14/50/56/168145056.db2.gz BHYWRABYKHIXRW-MOENNCHZSA-N 1 0 219.332 2.149 10 0 BEAERO CC1CCC(C[NH3+])(NC(=O)C2CCCC2)CC1 ZINC000104308300 168153801 /nfs/dbraw/zinc/15/38/01/168153801.db2.gz ZTVWCRLVMYDYJZ-UHFFFAOYSA-N 1 0 238.375 2.200 10 0 BEAERO CC1CCC(C[NH2+][C@@H](CO)CC(F)F)CC1 ZINC000309818641 168156736 /nfs/dbraw/zinc/15/67/36/168156736.db2.gz VWVIBJMFNJNMOZ-VQXHTEKXSA-N 1 0 235.318 2.418 10 0 BEAERO CC1CCC(CO)([NH2+]Cc2cncs2)CC1 ZINC000054788480 168157155 /nfs/dbraw/zinc/15/71/55/168157155.db2.gz KTPXATSADKLUGA-UHFFFAOYSA-N 1 0 240.372 2.174 10 0 BEAERO CC1CCC([N@H+](C)[C@]2(CN)CCSC2)CC1 ZINC000042472994 168159078 /nfs/dbraw/zinc/15/90/78/168159078.db2.gz VXKCTOUCONECRP-BPCQOVAHSA-N 1 0 242.432 2.331 10 0 BEAERO CC1CCC(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000019507609 168162590 /nfs/dbraw/zinc/16/25/90/168162590.db2.gz DDTRBPRBMHPMKU-QBHFIFKDSA-N 1 0 238.375 2.069 10 0 BEAERO CC1CCC(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000019506518 168163421 /nfs/dbraw/zinc/16/34/21/168163421.db2.gz HBGVDUCNWCTXBC-PYNQCMFNSA-N 1 0 238.375 2.212 10 0 BEAERO CC1CCC([NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC000019946134 168164014 /nfs/dbraw/zinc/16/40/14/168164014.db2.gz FHYYCDQSLBVNKT-UXUKBGGZSA-N 1 0 222.376 2.249 10 0 BEAERO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cn[nH]c1 ZINC000301905536 168167048 /nfs/dbraw/zinc/16/70/48/168167048.db2.gz SVCNNOMKDMLLDZ-QWKFWESOSA-N 1 0 237.347 2.002 10 0 BEAERO CC1CCC(OC[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052619324 168168125 /nfs/dbraw/zinc/16/81/25/168168125.db2.gz DQWIGOSUNMYJBM-IFWUJCSASA-N 1 0 227.348 2.088 10 0 BEAERO CC1CCC(OC[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052619314 168168160 /nfs/dbraw/zinc/16/81/60/168168160.db2.gz DQWIGOSUNMYJBM-TUUUFIMRSA-N 1 0 227.348 2.088 10 0 BEAERO C[C@@H]([NH3+])c1nnc(C2CCC(C)CC2)[nH]1 ZINC000061844032 168170110 /nfs/dbraw/zinc/17/01/10/168170110.db2.gz RDRBLDUEHDNFOJ-QJAFJHJLSA-N 1 0 208.309 2.118 10 0 BEAERO CC1CC[NH+](CC(=O)NCC2(C)CCC2)CC1 ZINC000122180658 168177898 /nfs/dbraw/zinc/17/78/98/168177898.db2.gz NGBWSMPJHQCRIJ-UHFFFAOYSA-N 1 0 238.375 2.025 10 0 BEAERO CC1CC[NH+]([C@@H](CO)c2ccccc2)CC1 ZINC000041232808 168185707 /nfs/dbraw/zinc/18/57/07/168185707.db2.gz APIBFERZPMLQHD-AWEZNQCLSA-N 1 0 219.328 2.452 10 0 BEAERO CC1CC[NH+]([C@H]2COc3ccccc3[C@H]2O)CC1 ZINC000044114843 168188139 /nfs/dbraw/zinc/18/81/39/168188139.db2.gz GEBPLKJJNJTQIB-DZGCQCFKSA-N 1 0 247.338 2.213 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCC1CCC1 ZINC000659362592 411384357 /nfs/dbraw/zinc/38/43/57/411384357.db2.gz RRUFSNFWZUXMPJ-CYBMUJFWSA-N 1 0 238.375 2.073 10 0 BEAERO CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000054402291 168266702 /nfs/dbraw/zinc/26/67/02/168266702.db2.gz RKZPJBLUPPPURH-GHMZBOCLSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336783214 168277311 /nfs/dbraw/zinc/27/73/11/168277311.db2.gz ZSTAAVBKYKOVJD-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339506391 168293569 /nfs/dbraw/zinc/29/35/69/168293569.db2.gz IIDMEENMOVHNKT-LLVKDONJSA-N 1 0 240.391 2.458 10 0 BEAERO CCC(C)(C)NC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055145498 168295015 /nfs/dbraw/zinc/29/50/15/168295015.db2.gz FDTQABAYCZPOEW-QWRGUYRKSA-N 1 0 226.364 2.056 10 0 BEAERO CCC(C)(C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000019476217 168296181 /nfs/dbraw/zinc/29/61/81/168296181.db2.gz UZZZADIWCWVLEJ-CYBMUJFWSA-N 1 0 246.354 2.006 10 0 BEAERO CCC(C)(C)[NH2+]CCN(C)Cc1cccnc1 ZINC000053383544 168298166 /nfs/dbraw/zinc/29/81/66/168298166.db2.gz KOKAXJPVJRCQCA-UHFFFAOYSA-N 1 0 235.375 2.292 10 0 BEAERO CCC(C)(C)OC[C@@H](O)c1ccc(C[NH3+])cc1 ZINC000035728117 168304843 /nfs/dbraw/zinc/30/48/43/168304843.db2.gz YFCVNLBZXAXCSJ-CYBMUJFWSA-N 1 0 237.343 2.384 10 0 BEAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000070307708 411402001 /nfs/dbraw/zinc/40/20/01/411402001.db2.gz MZMBNPONBKBGTP-NEPJUHHUSA-N 1 0 238.375 2.071 10 0 BEAERO CC[N@@H+]1CCCOC[C@H]1c1ccccc1CCO ZINC000616648201 411410920 /nfs/dbraw/zinc/41/09/20/411410920.db2.gz ATVCUXCHQWBQFJ-HNNXBMFYSA-N 1 0 249.354 2.005 10 0 BEAERO C[N@@H+]1CCCOC[C@H]1c1ccccc1F ZINC000616648328 411411697 /nfs/dbraw/zinc/41/16/97/411411697.db2.gz FKVBAEYZZPFCAY-LBPRGKRZSA-N 1 0 209.264 2.219 10 0 BEAERO Cc1cc(C(C)C)nc(NCC2CC[NH2+]CC2)n1 ZINC000122553512 411432593 /nfs/dbraw/zinc/43/25/93/411432593.db2.gz XDUNSKOXIBGPDK-UHFFFAOYSA-N 1 0 248.374 2.320 10 0 BEAERO Cc1cc(C(C)C)nc(N2CCCC[C@H]2C[NH3+])n1 ZINC000122554019 411433161 /nfs/dbraw/zinc/43/31/61/411433161.db2.gz HPAMJKHSMHGKQH-LBPRGKRZSA-N 1 0 248.374 2.226 10 0 BEAERO CC[C@@H]1CN(c2ccncc2Cl)CC[C@@H]1[NH3+] ZINC000122989052 411437260 /nfs/dbraw/zinc/43/72/60/411437260.db2.gz ZXAYPIRHSRDFIW-KOLCDFICSA-N 1 0 239.750 2.299 10 0 BEAERO CC[C@H]1CN(c2cc(C(C)C)ncn2)CC[C@@H]1[NH3+] ZINC000123052900 411437701 /nfs/dbraw/zinc/43/77/01/411437701.db2.gz DIKSJWABMXZYDW-RYUDHWBXSA-N 1 0 248.374 2.164 10 0 BEAERO CCCC[NH2+]C[C@H]1CCc2ccc(O)cc2O1 ZINC000001895570 411463413 /nfs/dbraw/zinc/46/34/13/411463413.db2.gz PLFNWLNAVFWLFO-CYBMUJFWSA-N 1 0 235.327 2.476 10 0 BEAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cccs1 ZINC000070618757 411440636 /nfs/dbraw/zinc/44/06/36/411440636.db2.gz HSUUAOIVERDKLW-CABZTGNLSA-N 1 0 238.356 2.067 10 0 BEAERO CCN(Cc1ccncc1)[C@@H](C[NH3+])c1ccoc1 ZINC000063047854 169925355 /nfs/dbraw/zinc/92/53/55/169925355.db2.gz GYPPKASHZRQSEL-AWEZNQCLSA-N 1 0 245.326 2.197 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657385880 411489540 /nfs/dbraw/zinc/48/95/40/411489540.db2.gz UPYPHWTYNSDWEY-JQWIXIFHSA-N 1 0 219.332 2.108 10 0 BEAERO CC[C@H]([NH2+]C1CC(CO)C1)c1ccc(F)cn1 ZINC000658357850 411500959 /nfs/dbraw/zinc/50/09/59/411500959.db2.gz XGBGCGWEBRNVBM-NHNAUAITSA-N 1 0 238.306 2.032 10 0 BEAERO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000659953898 411510239 /nfs/dbraw/zinc/51/02/39/411510239.db2.gz XRQBJEYXLAMJIY-QWRGUYRKSA-N 1 0 235.318 2.372 10 0 BEAERO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CO1 ZINC000657455027 411516267 /nfs/dbraw/zinc/51/62/67/411516267.db2.gz FVBXITCJRQLVBK-XVIXHAIJSA-N 1 0 241.375 2.347 10 0 BEAERO Cc1c[nH]c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000657456644 411517166 /nfs/dbraw/zinc/51/71/66/411517166.db2.gz WCVBLGLGVOAEGA-ZSBIGDGJSA-N 1 0 237.347 2.011 10 0 BEAERO CCN1CC[C@@H]([NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000070298970 170012989 /nfs/dbraw/zinc/01/29/89/170012989.db2.gz XNDXBESKWCDSDL-PWSUYJOCSA-N 1 0 244.260 2.198 10 0 BEAERO c1nc2n(c1C[NH2+][C@@H]1CCC[C@H]3C[C@H]31)CCC2 ZINC000657501572 411538490 /nfs/dbraw/zinc/53/84/90/411538490.db2.gz ZHQMTAHHCOJHCZ-CYZMBNFOSA-N 1 0 231.343 2.108 10 0 BEAERO CC[N@@H+]1CC[C@H](CNc2cc(C)ccn2)C1 ZINC000043561495 170017077 /nfs/dbraw/zinc/01/70/77/170017077.db2.gz KLKNHGJWPFRQSP-GFCCVEGCSA-N 1 0 219.332 2.144 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000336895517 170021438 /nfs/dbraw/zinc/02/14/38/170021438.db2.gz MZAGRJRUZNNMFA-RDBSUJKOSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328464201 170021584 /nfs/dbraw/zinc/02/15/84/170021584.db2.gz IOZYHDUGJQHWSX-OLZOCXBDSA-N 1 0 208.349 2.027 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000328199370 170022222 /nfs/dbraw/zinc/02/22/22/170022222.db2.gz RODLHYPMUOXWLJ-RFQIPJPRSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1CCc2cc(C[C@H](C)[NH3+])c(C)cc21 ZINC000029213882 170024008 /nfs/dbraw/zinc/02/40/08/170024008.db2.gz LRZMNFBWNOBYAQ-NSHDSACASA-N 1 0 218.344 2.267 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000309034841 170029594 /nfs/dbraw/zinc/02/95/94/170029594.db2.gz HOFOMBIJFSYNPG-NEPJUHHUSA-N 1 0 212.381 2.352 10 0 BEAERO CCN1C[C@H]([NH2+][C@H](C)CC2CC2)[C@@H](C)C1 ZINC000309066133 170036674 /nfs/dbraw/zinc/03/66/74/170036674.db2.gz ZNKRKHLHGCFOGM-LOWVWBTDSA-N 1 0 210.365 2.105 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336777156 170036699 /nfs/dbraw/zinc/03/66/99/170036699.db2.gz HOFINXAYNWHHNV-NWDGAFQWSA-N 1 0 242.432 2.202 10 0 BEAERO CCN1C[C@H]([NH2+][C@H](C)CC(C)C)[C@@H](C)C1 ZINC000309034594 170037166 /nfs/dbraw/zinc/03/71/66/170037166.db2.gz HJHCUHJFXFDRSM-XQQFMLRXSA-N 1 0 212.381 2.351 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]CC2CCSCC2)C1 ZINC000309419805 170037251 /nfs/dbraw/zinc/03/72/51/170037251.db2.gz AKRMCUOWZKSCLU-WCQYABFASA-N 1 0 242.432 2.059 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2occc2C)C1 ZINC000336782159 170037983 /nfs/dbraw/zinc/03/79/83/170037983.db2.gz WURMNDQWIGHFNY-NWDGAFQWSA-N 1 0 222.332 2.018 10 0 BEAERO CCNC(=[NH2+])N[C@H](C)CCc1ccccc1 ZINC000052044483 170041760 /nfs/dbraw/zinc/04/17/60/170041760.db2.gz HWDWYTMXBBYOGS-LLVKDONJSA-N 1 0 219.332 2.142 10 0 BEAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccccc1C ZINC000051759001 170053043 /nfs/dbraw/zinc/05/30/43/170053043.db2.gz ADKZFPPSMOZXOR-LBPRGKRZSA-N 1 0 234.343 2.172 10 0 BEAERO CCNC(=O)C[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000036780253 170064667 /nfs/dbraw/zinc/06/46/67/170064667.db2.gz HLTCGZXPXYWOHP-ZDUSSCGKSA-N 1 0 248.370 2.399 10 0 BEAERO CCNC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000035645455 170085217 /nfs/dbraw/zinc/08/52/17/170085217.db2.gz WQYXLNIAQMDOCG-SECBINFHSA-N 1 0 221.304 2.108 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000061294859 170106344 /nfs/dbraw/zinc/10/63/44/170106344.db2.gz OEYVZSUFXMBAQF-JTQLQIEISA-N 1 0 228.380 2.268 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H](CC)C1 ZINC000061289628 170106743 /nfs/dbraw/zinc/10/67/43/170106743.db2.gz AFAUAYXHYNICLZ-NSHDSACASA-N 1 0 226.364 2.023 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NC1CCCCCC1 ZINC000061288653 170107223 /nfs/dbraw/zinc/10/72/23/170107223.db2.gz ZPHIRAUMOSFSAS-UHFFFAOYSA-N 1 0 226.364 2.214 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(F)c1 ZINC000061287511 170107238 /nfs/dbraw/zinc/10/72/38/170107238.db2.gz MPICNICMKGVFAM-UHFFFAOYSA-N 1 0 224.279 2.152 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)NC1(C)CCCCC1 ZINC000061299260 170107335 /nfs/dbraw/zinc/10/73/35/170107335.db2.gz NDYIELLFVUNAQV-UHFFFAOYSA-N 1 0 226.364 2.214 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccc1F ZINC000061287586 170107903 /nfs/dbraw/zinc/10/79/03/170107903.db2.gz VNLHSQQPOXJRHY-UHFFFAOYSA-N 1 0 224.279 2.152 10 0 BEAERO CC[NH2+]CC1(O[C@@H]2CCOC2)CCC(C)CC1 ZINC000104122114 170110621 /nfs/dbraw/zinc/11/06/21/170110621.db2.gz RFSYKKFQZFFBPJ-ROKHWSDSSA-N 1 0 241.375 2.350 10 0 BEAERO CC[NH2+]CCC(=O)N1c2ccccc2CC[C@@H]1C ZINC000061278689 170111422 /nfs/dbraw/zinc/11/14/22/170111422.db2.gz AZZLXRJPWAOTGW-LBPRGKRZSA-N 1 0 246.354 2.354 10 0 BEAERO CC[NH2+]CCC(=O)c1ccc(OC)c(C)c1 ZINC000049818360 170111581 /nfs/dbraw/zinc/11/15/81/170111581.db2.gz VXLGHTFYULQTEJ-UHFFFAOYSA-N 1 0 221.300 2.186 10 0 BEAERO CC[NH2+]CCC(=O)c1cc(C)c(C)cc1OC ZINC000049827538 170112108 /nfs/dbraw/zinc/11/21/08/170112108.db2.gz IEOFUFPCXXYYOB-UHFFFAOYSA-N 1 0 235.327 2.494 10 0 BEAERO CC[NH2+]CCCCc1ccc2c(c1)CC(=O)N2C ZINC000098128285 170112655 /nfs/dbraw/zinc/11/26/55/170112655.db2.gz VRZKTEAXKZFJOS-UHFFFAOYSA-N 1 0 246.354 2.138 10 0 BEAERO CC[NH2+]CCCOc1ccc(OCC)cc1 ZINC000020525058 170112979 /nfs/dbraw/zinc/11/29/79/170112979.db2.gz VUNDSTSGUBOZAF-UHFFFAOYSA-N 1 0 223.316 2.464 10 0 BEAERO CC[NH2+]CCCNc1ncnc2ccccc21 ZINC000038043516 170113081 /nfs/dbraw/zinc/11/30/81/170113081.db2.gz PPEXSDYUDSPGHX-UHFFFAOYSA-N 1 0 230.315 2.041 10 0 BEAERO CC[NH2+]CCc1c[nH]c2c1cc(OC)cc2OC ZINC000107293758 170117062 /nfs/dbraw/zinc/11/70/62/170117062.db2.gz ZPOGRDOERLTHIJ-UHFFFAOYSA-N 1 0 248.326 2.337 10 0 BEAERO CC[NH2+]CCc1ccc(OC)c(CC)c1 ZINC000057495016 170117346 /nfs/dbraw/zinc/11/73/46/170117346.db2.gz UZZQVEJSHHTYIV-UHFFFAOYSA-N 1 0 207.317 2.410 10 0 BEAERO CC[NH2+]CC[C@@H](O)c1cc(C)ccc1OC ZINC000049819430 170117484 /nfs/dbraw/zinc/11/74/84/170117484.db2.gz DHHRXWFZYYKUBK-GFCCVEGCSA-N 1 0 223.316 2.037 10 0 BEAERO CC[NH2+]CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000051784423 170117902 /nfs/dbraw/zinc/11/79/02/170117902.db2.gz MGIMTYZXPWFGCW-UHFFFAOYSA-N 1 0 249.289 2.336 10 0 BEAERO CC[NH2+]CCc1ccc2ncccc2c1 ZINC000053302046 170118175 /nfs/dbraw/zinc/11/81/75/170118175.db2.gz FGHOLWBYMOIFFD-UHFFFAOYSA-N 1 0 200.285 2.387 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000061227165 170118744 /nfs/dbraw/zinc/11/87/44/170118744.db2.gz VMPDINSVYSYKCC-NEPJUHHUSA-N 1 0 234.343 2.109 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000061234539 170118827 /nfs/dbraw/zinc/11/88/27/170118827.db2.gz YGWXEYJMYGFVMD-OLZOCXBDSA-N 1 0 248.370 2.418 10 0 BEAERO CC[NH2+]C[C@@H](C)CN1CCOc2ccccc2C1 ZINC000063013436 170118832 /nfs/dbraw/zinc/11/88/32/170118832.db2.gz WKXRUIOJIGVFLP-CYBMUJFWSA-N 1 0 248.370 2.127 10 0 BEAERO CC[NH2+]C[C@@H](C)c1nc2ccccc2[nH]1 ZINC000061219035 170118858 /nfs/dbraw/zinc/11/88/58/170118858.db2.gz GTGYZUQRLKMXEJ-SECBINFHSA-N 1 0 203.289 2.276 10 0 BEAERO CC[NH2+]C[C@@H](C)CN(C)c1cccc(OC)c1 ZINC000060457979 170118915 /nfs/dbraw/zinc/11/89/15/170118915.db2.gz HWFDMTOVYJPDIG-GFCCVEGCSA-N 1 0 236.359 2.377 10 0 BEAERO CC[NH2+]C[C@@H](C)c1c(C)nc(C)nc1C ZINC000054854778 170119094 /nfs/dbraw/zinc/11/90/94/170119094.db2.gz UINREJXDFQWJDI-MRVPVSSYSA-N 1 0 207.321 2.115 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000061227758 170119405 /nfs/dbraw/zinc/11/94/05/170119405.db2.gz BQCLQRZKZFCKBX-VXGBXAGGSA-N 1 0 246.354 2.210 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000061227628 170119547 /nfs/dbraw/zinc/11/95/47/170119547.db2.gz NRCJMLLJGKENRU-LLVKDONJSA-N 1 0 246.354 2.359 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(C(C)C)c1 ZINC000049828910 170120247 /nfs/dbraw/zinc/12/02/47/170120247.db2.gz MCGUUWGFKNRACK-CYBMUJFWSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000047944516 170120330 /nfs/dbraw/zinc/12/03/30/170120330.db2.gz BTPJPCFZEXFITE-LBPRGKRZSA-N 1 0 204.317 2.122 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1ccccc1OC(C)C ZINC000033466208 170120758 /nfs/dbraw/zinc/12/07/58/170120758.db2.gz IVCDKCFASSJMJL-CQSZACIVSA-N 1 0 237.343 2.291 10 0 BEAERO CC[NH2+]C[C@@]1(CC2CCOCC2)CCCOC1 ZINC000062194101 170121249 /nfs/dbraw/zinc/12/12/49/170121249.db2.gz HIPKAUQPJHGSJM-AWEZNQCLSA-N 1 0 241.375 2.209 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1c(C)cc(C)cc1C ZINC000055032896 170121268 /nfs/dbraw/zinc/12/12/68/170121268.db2.gz LLMZNXISAZRTCJ-CQSZACIVSA-N 1 0 221.344 2.429 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000061268121 170121373 /nfs/dbraw/zinc/12/13/73/170121373.db2.gz HXKYXOKMXLARBP-LBPRGKRZSA-N 1 0 234.343 2.203 10 0 BEAERO CC[NH2+]C[C@H](C)N1Cc2ccccc2C1 ZINC000052374231 170121777 /nfs/dbraw/zinc/12/17/77/170121777.db2.gz FXLPAMPNTNDEBQ-NSHDSACASA-N 1 0 204.317 2.000 10 0 BEAERO CC[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000052420213 170121785 /nfs/dbraw/zinc/12/17/85/170121785.db2.gz VNERVNMFDLXXHJ-NSHDSACASA-N 1 0 204.317 2.047 10 0 BEAERO CC[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000052382871 170121791 /nfs/dbraw/zinc/12/17/91/170121791.db2.gz YLXXCKRTMZDJLV-JTQLQIEISA-N 1 0 224.373 2.104 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000061227815 170121821 /nfs/dbraw/zinc/12/18/21/170121821.db2.gz FSQHOZHCFRKFCB-LBPRGKRZSA-N 1 0 234.343 2.488 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1C ZINC000039110206 170121953 /nfs/dbraw/zinc/12/19/53/170121953.db2.gz ZLJWOAIZVSNYAJ-NSHDSACASA-N 1 0 220.316 2.179 10 0 BEAERO CC[NH2+]C[C@H](C)c1nc(-c2ccccc2)n[nH]1 ZINC000061221423 170122073 /nfs/dbraw/zinc/12/20/73/170122073.db2.gz LAUZRSWKTJGUAD-JTQLQIEISA-N 1 0 230.315 2.185 10 0 BEAERO CC[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000020096526 170122363 /nfs/dbraw/zinc/12/23/63/170122363.db2.gz IZMDRFWXHALJNR-CQSZACIVSA-N 1 0 218.344 2.433 10 0 BEAERO CC[NH2+]C[C@H]1CCCN1c1nc(C)cs1 ZINC000053696583 170122474 /nfs/dbraw/zinc/12/24/74/170122474.db2.gz CMZGQSCLLIMPMW-SNVBAGLBSA-N 1 0 225.361 2.030 10 0 BEAERO CC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000055027758 170122771 /nfs/dbraw/zinc/12/27/71/170122771.db2.gz FNMMWDSRCOLNJM-AWEZNQCLSA-N 1 0 215.296 2.483 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2cccc(F)c2)C1 ZINC000053010151 170123434 /nfs/dbraw/zinc/12/34/34/170123434.db2.gz JDMFDUFJDIAYPP-LLVKDONJSA-N 1 0 222.307 2.262 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000047944519 170123506 /nfs/dbraw/zinc/12/35/06/170123506.db2.gz BTPJPCFZEXFITE-GFCCVEGCSA-N 1 0 204.317 2.122 10 0 BEAERO CC[NH2+]C[C@]1(CCOCCC(C)C)CCOC1 ZINC000054664300 170123653 /nfs/dbraw/zinc/12/36/53/170123653.db2.gz HMPMTPQBQDUGTO-AWEZNQCLSA-N 1 0 243.391 2.455 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2cccc(C)c2)C1 ZINC000053012894 170123658 /nfs/dbraw/zinc/12/36/58/170123658.db2.gz UQTSYOIXGYSIDM-CYBMUJFWSA-N 1 0 218.344 2.431 10 0 BEAERO CC[NH2+]C[C@]1(Cc2ccccc2F)CCOC1 ZINC000054664085 170123723 /nfs/dbraw/zinc/12/37/23/170123723.db2.gz AKXZHHFFNDPUMY-CQSZACIVSA-N 1 0 237.318 2.384 10 0 BEAERO CC[NH2+]C[C@H]1C[C@H]1c1cccc(OC)c1OC ZINC000054590638 170123750 /nfs/dbraw/zinc/12/37/50/170123750.db2.gz PNQJBMGNXRZCFT-ZYHUDNBSSA-N 1 0 235.327 2.417 10 0 BEAERO CC[NH2+]Cc1cc(F)ccc1-n1ccnc1 ZINC000037236842 170125570 /nfs/dbraw/zinc/12/55/70/170125570.db2.gz FPSKIIZGHNEHFK-UHFFFAOYSA-N 1 0 219.263 2.121 10 0 BEAERO CC[NH2+]Cc1cc(N2CCC[C@@H]2C)ccn1 ZINC000051398840 170125809 /nfs/dbraw/zinc/12/58/09/170125809.db2.gz XHFLNWOHKOZQHD-NSHDSACASA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000034653465 170126210 /nfs/dbraw/zinc/12/62/10/170126210.db2.gz RMMJEYDTINGCGN-UHFFFAOYSA-N 1 0 219.263 2.121 10 0 BEAERO CC[NH2+]Cc1ccc(COCCOCC)cc1 ZINC000052604379 170126510 /nfs/dbraw/zinc/12/65/10/170126510.db2.gz ISXAOJVHRSDKBP-UHFFFAOYSA-N 1 0 237.343 2.349 10 0 BEAERO CC[NH2+]Cc1ccccc1-c1cncnc1 ZINC000052886627 170128175 /nfs/dbraw/zinc/12/81/75/170128175.db2.gz IKCDZIGWJPVXPR-UHFFFAOYSA-N 1 0 213.284 2.253 10 0 BEAERO CC[NH2+]Cc1ccccc1N1CCCOCC1 ZINC000061920334 170128605 /nfs/dbraw/zinc/12/86/05/170128605.db2.gz IEEOZHRCAHXYIE-UHFFFAOYSA-N 1 0 234.343 2.023 10 0 BEAERO CC[NH2+]Cc1cccc(CN2CCOC[C@H]2C)c1 ZINC000052475774 170128684 /nfs/dbraw/zinc/12/86/84/170128684.db2.gz FISRQKKVXRBPDS-CYBMUJFWSA-N 1 0 248.370 2.017 10 0 BEAERO CC[NH2+]Cc1cccnc1N(C)Cc1ccco1 ZINC000051443503 170129336 /nfs/dbraw/zinc/12/93/36/170129336.db2.gz STWSMARAPQCKQJ-UHFFFAOYSA-N 1 0 245.326 2.421 10 0 BEAERO CC[NH2+]Cc1cccnc1N1CCC[C@H]1C ZINC000051398761 170129353 /nfs/dbraw/zinc/12/93/53/170129353.db2.gz XIIZWEUUQGTTPA-LLVKDONJSA-N 1 0 219.332 2.180 10 0 BEAERO CC[NH2+]Cc1cnn(CCOCCC(C)C)c1 ZINC000054719370 170130394 /nfs/dbraw/zinc/13/03/94/170130394.db2.gz BNXWTVGBNGMHOC-UHFFFAOYSA-N 1 0 239.363 2.055 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1C ZINC000042355352 170130705 /nfs/dbraw/zinc/13/07/05/170130705.db2.gz KKZPUMBWDSNBJX-UHFFFAOYSA-N 1 0 233.290 2.429 10 0 BEAERO CC[NH2+]Cc1cnc(C2CCOCC2)s1 ZINC000052176100 170130785 /nfs/dbraw/zinc/13/07/85/170130785.db2.gz LNVJEFAIAJPBKJ-UHFFFAOYSA-N 1 0 226.345 2.147 10 0 BEAERO CC[NH2+]Cc1cnc(N2CCC[C@@H]2C)s1 ZINC000054899000 170130800 /nfs/dbraw/zinc/13/08/00/170130800.db2.gz NUJLOKQUDZFBAF-VIFPVBQESA-N 1 0 225.361 2.241 10 0 BEAERO CC[NH2+]Cc1ncc(-c2ccccc2)o1 ZINC000033853284 170131859 /nfs/dbraw/zinc/13/18/59/170131859.db2.gz FZAKGBJMKHBCJA-UHFFFAOYSA-N 1 0 202.257 2.451 10 0 BEAERO CC[NH2+]Cc1sc(OCC)nc1Cl ZINC000045206330 170132869 /nfs/dbraw/zinc/13/28/69/170132869.db2.gz MCMRIOYXSBDDKZ-UHFFFAOYSA-N 1 0 220.725 2.305 10 0 BEAERO CC[NH2+][C@@H](C)C(=O)c1ccc(OC)c(CC)c1 ZINC000071545937 170137782 /nfs/dbraw/zinc/13/77/82/170137782.db2.gz MHCPFDURFGQVFW-JTQLQIEISA-N 1 0 235.327 2.438 10 0 BEAERO CC[NH2+][C@@H](C(N)=O)c1ccc(C(C)(C)C)cc1 ZINC000037869606 170138309 /nfs/dbraw/zinc/13/83/09/170138309.db2.gz YZJIBYDRKJSBBW-GFCCVEGCSA-N 1 0 234.343 2.120 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000061272060 170138867 /nfs/dbraw/zinc/13/88/67/170138867.db2.gz DWBYERDGLNWVNN-RWMBFGLXSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)Cc1ccccc1 ZINC000062188491 170138975 /nfs/dbraw/zinc/13/89/75/170138975.db2.gz LOPZWEWBQYBSIX-QWHCGFSZSA-N 1 0 248.370 2.122 10 0 BEAERO CC[NH2+][C@@H](C)CN(C)Cc1cccc(OC)c1 ZINC000043911929 170139578 /nfs/dbraw/zinc/13/95/78/170139578.db2.gz GFORDLFJGPHIBC-LBPRGKRZSA-N 1 0 236.359 2.125 10 0 BEAERO CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1OC ZINC000036201042 170142099 /nfs/dbraw/zinc/14/20/99/170142099.db2.gz IZQVYIXFFCUBJN-VIFPVBQESA-N 1 0 239.315 2.383 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc(C2CC2)nc1C ZINC000054962954 170142541 /nfs/dbraw/zinc/14/25/41/170142541.db2.gz YCUZNEBWFUKGTQ-QMMMGPOBSA-N 1 0 205.305 2.333 10 0 BEAERO CC[NH2+][C@@H](C)c1cnc(-c2ncccn2)s1 ZINC000054159704 170142728 /nfs/dbraw/zinc/14/27/28/170142728.db2.gz ZHKNKIDATUTYPW-QMMMGPOBSA-N 1 0 234.328 2.271 10 0 BEAERO CC[NH2+][C@@H](C)c1cnn(C[C@H]2CCCCO2)c1 ZINC000054721254 170143077 /nfs/dbraw/zinc/14/30/77/170143077.db2.gz VKYGEAKLLMJJLF-WCQYABFASA-N 1 0 237.347 2.123 10 0 BEAERO CC[NH2+][C@@H](C)c1nnc(-c2ccoc2C)o1 ZINC000050618689 170143210 /nfs/dbraw/zinc/14/32/10/170143210.db2.gz IHGAENAGZUONDI-ZETCQYMHSA-N 1 0 221.260 2.309 10 0 BEAERO CC[NH2+][C@@H](CC)C(=O)c1ccccc1OC ZINC000071523112 170143611 /nfs/dbraw/zinc/14/36/11/170143611.db2.gz VXTCJBRVZUORLR-NSHDSACASA-N 1 0 221.300 2.266 10 0 BEAERO CC[NH2+][C@@H](CC)C(=O)c1cc(F)ccc1OC ZINC000071549341 170144255 /nfs/dbraw/zinc/14/42/55/170144255.db2.gz HYDOAYNXYKKDPS-NSHDSACASA-N 1 0 239.290 2.405 10 0 BEAERO CCN[C@@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000050270312 170144971 /nfs/dbraw/zinc/14/49/71/170144971.db2.gz FOCINLRJKZHJQV-ZDUSSCGKSA-N 1 0 244.338 2.458 10 0 BEAERO CC[NH2+][C@@H](CCc1ccccc1OC)COC ZINC000051695915 170145014 /nfs/dbraw/zinc/14/50/14/170145014.db2.gz YBRVBSDJQQZPKT-ZDUSSCGKSA-N 1 0 237.343 2.252 10 0 BEAERO CC[NH2+][C@@H](C[C@@H]1CCCO1)c1cncc(F)c1 ZINC000049576345 170146861 /nfs/dbraw/zinc/14/68/61/170146861.db2.gz YRBDTSWDKNQQBW-STQMWFEESA-N 1 0 238.306 2.440 10 0 BEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1C[C@@H]1C ZINC000035545936 170148246 /nfs/dbraw/zinc/14/82/46/170148246.db2.gz LZGLFDIRDAKMGY-FWDPORAESA-N 1 0 245.326 2.163 10 0 BEAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@@H]1C ZINC000035545933 170148550 /nfs/dbraw/zinc/14/85/50/170148550.db2.gz LZGLFDIRDAKMGY-PLMOITTCSA-N 1 0 245.326 2.163 10 0 BEAERO CC[NH2+][C@H]1c2ccc(SC)cc2NC1=O ZINC000103388098 170149644 /nfs/dbraw/zinc/14/96/44/170149644.db2.gz CFOAHMLJPDLOGI-JTQLQIEISA-N 1 0 222.313 2.011 10 0 BEAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cccs1 ZINC000035555513 170149739 /nfs/dbraw/zinc/14/97/39/170149739.db2.gz IDACQPWWXFFUAK-NSHDSACASA-N 1 0 221.329 2.181 10 0 BEAERO CC[NH2+][C@@H](c1sccc1C)[C@H]1COCCO1 ZINC000055301122 170149769 /nfs/dbraw/zinc/14/97/69/170149769.db2.gz ZNHNJNGNOADPBF-GHMZBOCLSA-N 1 0 241.356 2.123 10 0 BEAERO CC[NH2+][C@@H]1CCC[S@@](=O)c2ccccc21 ZINC000040973536 170151312 /nfs/dbraw/zinc/15/13/12/170151312.db2.gz DPGLLIVATZYEFP-ABAIWWIYSA-N 1 0 223.341 2.239 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCCc2ccccc2)C1 ZINC000037719613 170151606 /nfs/dbraw/zinc/15/16/06/170151606.db2.gz SJGYGBPISBAGSR-OAHLLOKOSA-N 1 0 232.371 2.303 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2ccco2)[C@H](C)C1 ZINC000049708516 170152006 /nfs/dbraw/zinc/15/20/06/170152006.db2.gz KFPHSRYQWOJOGK-VXGBXAGGSA-N 1 0 222.332 2.242 10 0 BEAERO CC[NH2+][C@@H]1CCN(C2CCC(CC)CC2)C1=O ZINC000049649044 170152135 /nfs/dbraw/zinc/15/21/35/170152135.db2.gz YQABQMOAWDUDTP-WXRRBKDZSA-N 1 0 238.375 2.166 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000049648329 170152439 /nfs/dbraw/zinc/15/24/39/170152439.db2.gz QYUYLHOIVFOSGS-LLVKDONJSA-N 1 0 238.718 2.055 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccsc2)C1=O ZINC000061363811 170152706 /nfs/dbraw/zinc/15/27/06/170152706.db2.gz APZSZIYYEXWFJD-GXSJLCMTSA-N 1 0 238.356 2.020 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(C)c2C)C1 ZINC000037241806 170152711 /nfs/dbraw/zinc/15/27/11/170152711.db2.gz ZDZBXCAHMFIHAJ-CYBMUJFWSA-N 1 0 218.344 2.492 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H]2CCc3ccccc3C2)C1 ZINC000051631923 170152789 /nfs/dbraw/zinc/15/27/89/170152789.db2.gz BTCMJYJQUUSQSG-HZPDHXFCSA-N 1 0 244.382 2.228 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000037241516 170152792 /nfs/dbraw/zinc/15/27/92/170152792.db2.gz PRWLBWZPPOGXGA-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccccc2OCC)C1 ZINC000037241091 170153096 /nfs/dbraw/zinc/15/30/96/170153096.db2.gz QJERDLBKAGMMJU-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1OCCOC ZINC000054556367 170153599 /nfs/dbraw/zinc/15/35/99/170153599.db2.gz KDNJTOVTFLELGM-MJBXVCDLSA-N 1 0 243.391 2.452 10 0 BEAERO CCN[C@@](C)(C(=O)OC)c1ccc(C)c(C)c1 ZINC000037446821 170154971 /nfs/dbraw/zinc/15/49/71/170154971.db2.gz SYDBVFOHTQDQOA-CQSZACIVSA-N 1 0 235.327 2.301 10 0 BEAERO O[C@H]1CCC[C@@H](C[NH+]2CCC3(CC3)CC2)C1 ZINC000660144566 411544643 /nfs/dbraw/zinc/54/46/43/411544643.db2.gz HEYJRWYKAPXGOL-OLZOCXBDSA-N 1 0 223.360 2.414 10 0 BEAERO CC[NH2+][C@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000037869552 170156367 /nfs/dbraw/zinc/15/63/67/170156367.db2.gz GMXUDTKCVOTIFT-VIFPVBQESA-N 1 0 247.125 2.129 10 0 BEAERO CC[NH2+][C@H](C)CCN1CCOc2ccccc2C1 ZINC000063012603 170156820 /nfs/dbraw/zinc/15/68/20/170156820.db2.gz QYGHOJOONRBMQC-CYBMUJFWSA-N 1 0 248.370 2.269 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000061272076 170156896 /nfs/dbraw/zinc/15/68/96/170156896.db2.gz NFFCXGYUQIEPIQ-NEPJUHHUSA-N 1 0 228.380 2.268 10 0 BEAERO CC[NH2+][C@H](C)CN1c2ccccc2CCCC1=O ZINC000043998922 170157035 /nfs/dbraw/zinc/15/70/35/170157035.db2.gz OJLDHHGOJFERSN-GFCCVEGCSA-N 1 0 246.354 2.354 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)N(CC)c1ccccc1 ZINC000061269126 170157037 /nfs/dbraw/zinc/15/70/37/170157037.db2.gz LFSUTWKGUVWCLL-GFCCVEGCSA-N 1 0 234.343 2.428 10 0 BEAERO CC[NH2+][C@H](C)Cc1nc2c(cccc2F)[nH]1 ZINC000061181942 170158265 /nfs/dbraw/zinc/15/82/65/170158265.db2.gz NPMJORWGYJEGAD-MRVPVSSYSA-N 1 0 221.279 2.243 10 0 BEAERO CC[NH2+][C@H](C)c1cnn(C[C@@H]2CCCCO2)c1 ZINC000054721252 170160335 /nfs/dbraw/zinc/16/03/35/170160335.db2.gz VKYGEAKLLMJJLF-YPMHNXCESA-N 1 0 237.347 2.123 10 0 BEAERO CC[NH2+][C@H](C1=CCCCCC1)[C@H]1COCCO1 ZINC000055301339 170160977 /nfs/dbraw/zinc/16/09/77/170160977.db2.gz FVLGDJCSDMUJDE-ZIAGYGMSSA-N 1 0 239.359 2.270 10 0 BEAERO CC[NH2+][C@H](CCO)c1nccc2ccccc21 ZINC000095091367 170161520 /nfs/dbraw/zinc/16/15/20/170161520.db2.gz BAQPCFOATWBPDS-CYBMUJFWSA-N 1 0 230.311 2.268 10 0 BEAERO CC[NH2+][C@H](CCc1ccccc1OC)COC ZINC000051695917 170162118 /nfs/dbraw/zinc/16/21/18/170162118.db2.gz YBRVBSDJQQZPKT-CYBMUJFWSA-N 1 0 237.343 2.252 10 0 BEAERO CC[NH2+][C@H](CO)c1cc(C)c(OCC)cc1C ZINC000071548157 170162441 /nfs/dbraw/zinc/16/24/41/170162441.db2.gz UPRCGEHSDCEELO-CYBMUJFWSA-N 1 0 237.343 2.345 10 0 BEAERO CC[NH2+][C@H](CO)c1c(F)cccc1Cl ZINC000038120395 170162473 /nfs/dbraw/zinc/16/24/73/170162473.db2.gz OFTALOMDVQAVET-SECBINFHSA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+][C@H](c1cncnc1)C1CCCC1 ZINC000052887268 170164785 /nfs/dbraw/zinc/16/47/85/170164785.db2.gz OXVNUNHALOOJOV-LBPRGKRZSA-N 1 0 205.305 2.317 10 0 BEAERO CC[NH2+][C@H](c1cncc(F)c1)c1ccccn1 ZINC000049576289 170164790 /nfs/dbraw/zinc/16/47/90/170164790.db2.gz OKHBEIHEWFDWDO-CYBMUJFWSA-N 1 0 231.274 2.315 10 0 BEAERO CC[NH2+][C@H](c1cccs1)[C@@H]1CCOC1 ZINC000048624695 170165052 /nfs/dbraw/zinc/16/50/52/170165052.db2.gz PXMOXVRVLITBDU-KOLCDFICSA-N 1 0 211.330 2.435 10 0 BEAERO CC[NH2+][C@H](c1cccs1)c1nccn1C ZINC000037184569 170165253 /nfs/dbraw/zinc/16/52/53/170165253.db2.gz SCZDSZAYTSLZJD-SNVBAGLBSA-N 1 0 221.329 2.181 10 0 BEAERO CC[NH2+][C@H](c1cnn(C)c1)C1CCCC1 ZINC000035556102 170165279 /nfs/dbraw/zinc/16/52/79/170165279.db2.gz WSKYXNVKFQGFBI-LBPRGKRZSA-N 1 0 207.321 2.261 10 0 BEAERO CC[NH2+][C@H](c1ccsc1)c1cnn(C)c1 ZINC000035555453 170165291 /nfs/dbraw/zinc/16/52/91/170165291.db2.gz BAZPMCHFQPFXLR-LLVKDONJSA-N 1 0 221.329 2.181 10 0 BEAERO CC[NH2+][C@@H](c1cccs1)c1cnccn1 ZINC000040237955 170165391 /nfs/dbraw/zinc/16/53/91/170165391.db2.gz DYNQASYYFLKPMC-LLVKDONJSA-N 1 0 219.313 2.237 10 0 BEAERO CC[NH2+][C@H]1CCC[C@@H]1c1cnn(CC)c1 ZINC000060716348 170166470 /nfs/dbraw/zinc/16/64/70/170166470.db2.gz ZEJBUISDJCMYIX-NEPJUHHUSA-N 1 0 207.321 2.149 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(F)ccc2F)C1 ZINC000037240914 170167584 /nfs/dbraw/zinc/16/75/84/170167584.db2.gz UCVLHPYHOZQXMF-JTQLQIEISA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(F)c2)C1 ZINC000037240152 170167677 /nfs/dbraw/zinc/16/76/77/170167677.db2.gz GBTOUIUCSUIJJQ-NSHDSACASA-N 1 0 208.280 2.014 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000049648330 170167752 /nfs/dbraw/zinc/16/77/52/170167752.db2.gz QYUYLHOIVFOSGS-NSHDSACASA-N 1 0 238.718 2.055 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccccc2COC)C1 ZINC000049508991 170167783 /nfs/dbraw/zinc/16/77/83/170167783.db2.gz KBCLBCDDGCQTOJ-ZDUSSCGKSA-N 1 0 234.343 2.021 10 0 BEAERO CC[NH2+][C@H]1CCN(CCc2ccc(F)cc2)C1 ZINC000037241128 170167963 /nfs/dbraw/zinc/16/79/63/170167963.db2.gz XBRSGOWUMJUFBR-AWEZNQCLSA-N 1 0 236.334 2.052 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(C)c2C)C1=O ZINC000049647806 170168049 /nfs/dbraw/zinc/16/80/49/170168049.db2.gz TVITXTMREFHYGO-LBPRGKRZSA-N 1 0 232.327 2.018 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000037241500 170168102 /nfs/dbraw/zinc/16/81/02/170168102.db2.gz JDUNHXCAKIALTF-JTQLQIEISA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000037241919 170168096 /nfs/dbraw/zinc/16/80/96/170168096.db2.gz HGGGFUXTKKSXCQ-ZDUSSCGKSA-N 1 0 222.307 2.010 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cc(C)ccc2F)C1 ZINC000037242235 170168157 /nfs/dbraw/zinc/16/81/57/170168157.db2.gz ODDPTIHKZQFAHL-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@H]1CC[S@](=O)c2c(F)cc(F)cc21 ZINC000040977141 170168576 /nfs/dbraw/zinc/16/85/76/170168576.db2.gz XOIMWNCQKHPCIR-MGPLVRAMSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@H]1CCOc2ccc(OC)cc21 ZINC000035652795 170168632 /nfs/dbraw/zinc/16/86/32/170168632.db2.gz LLNZWZFSUBBNCV-NSHDSACASA-N 1 0 207.273 2.128 10 0 BEAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(C(C)C)cc1 ZINC000037447687 170170545 /nfs/dbraw/zinc/17/05/45/170170545.db2.gz VJQPLHPRAIGWTL-AWEZNQCLSA-N 1 0 234.343 2.120 10 0 BEAERO CCNc1cc(C[N@@H+]2CCC[C@@H]2C)ccn1 ZINC000052709425 170172255 /nfs/dbraw/zinc/17/22/55/170172255.db2.gz MTZYOEJDVWYGKS-NSHDSACASA-N 1 0 219.332 2.498 10 0 BEAERO CC[C@]1(C)COCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000660150809 411547169 /nfs/dbraw/zinc/54/71/69/411547169.db2.gz ZWFUVOLGIBNWBI-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO CCNc1ncccc1C[N@@H+]1CCC[C@@H]1C ZINC000052709417 170178004 /nfs/dbraw/zinc/17/80/04/170178004.db2.gz SDOKMRPUHVSAEW-NSHDSACASA-N 1 0 219.332 2.498 10 0 BEAERO CCOC(=O)C(F)(F)C[C@@H]([NH3+])C1CCCCC1 ZINC000091691010 170188116 /nfs/dbraw/zinc/18/81/16/170188116.db2.gz KKTVFNRIANIOFB-SNVBAGLBSA-N 1 0 249.301 2.483 10 0 BEAERO O[C@H]1CCC[C@H](C[N@@H+]2CCCC3(CC3)C2)C1 ZINC000660304680 411566107 /nfs/dbraw/zinc/56/61/07/411566107.db2.gz GUUZZVCUCAKIGH-STQMWFEESA-N 1 0 223.360 2.414 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1ccccc1C ZINC000037853548 170209052 /nfs/dbraw/zinc/20/90/52/170209052.db2.gz WLQJAADJKVWPTI-UHFFFAOYSA-N 1 0 221.300 2.038 10 0 BEAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000038097821 170209871 /nfs/dbraw/zinc/20/98/71/170209871.db2.gz YEHJTVMVRMINCB-JTQLQIEISA-N 1 0 225.288 2.192 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C/C=C\CO)CC(C)(C)C1 ZINC000657592189 411556748 /nfs/dbraw/zinc/55/67/48/411556748.db2.gz FGGPLJSCFKMCSY-XLMCQVRKSA-N 1 0 211.349 2.339 10 0 BEAERO CCOC(=O)C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000073653172 170231867 /nfs/dbraw/zinc/23/18/67/170231867.db2.gz WAHYIYTWTYLYAK-NSHDSACASA-N 1 0 213.321 2.060 10 0 BEAERO CCOC(=O)N(CC[NH3+])[C@@H](C)c1ccccc1 ZINC000253565813 170238533 /nfs/dbraw/zinc/23/85/33/170238533.db2.gz IEOLJATUUYILMD-NSHDSACASA-N 1 0 236.315 2.165 10 0 BEAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000044544715 170251959 /nfs/dbraw/zinc/25/19/59/170251959.db2.gz GABUZLJRDRBCPL-SNVBAGLBSA-N 1 0 241.718 2.021 10 0 BEAERO CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000660245260 411558863 /nfs/dbraw/zinc/55/88/63/411558863.db2.gz NUUCXAIVMXWSHF-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO CCOC(=O)[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000037459915 170263433 /nfs/dbraw/zinc/26/34/33/170263433.db2.gz MXBISIMZUWCNIY-BXKDBHETSA-N 1 0 213.321 2.093 10 0 BEAERO CCOC(=O)c1ccc2c[nH+]cn2c1Cl ZINC000079062435 170298766 /nfs/dbraw/zinc/29/87/66/170298766.db2.gz IIYCGFMLOVBVHH-UHFFFAOYSA-N 1 0 224.647 2.164 10 0 BEAERO CCOC1(C)CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000310501233 170319557 /nfs/dbraw/zinc/31/95/57/170319557.db2.gz JIQUJJKRISVEAL-OLZOCXBDSA-N 1 0 241.375 2.181 10 0 BEAERO CCOC1CC([NH2+][C@@H]2COc3ccccc32)C1 ZINC000124491300 170329493 /nfs/dbraw/zinc/32/94/93/170329493.db2.gz MTHYKEHFHSKHHM-GCZXYKMCSA-N 1 0 233.311 2.277 10 0 BEAERO CCOCCCC[NH2+]CCOc1ccccc1 ZINC000053566820 170369142 /nfs/dbraw/zinc/36/91/42/170369142.db2.gz JMWYPABCNPEEKM-UHFFFAOYSA-N 1 0 237.343 2.472 10 0 BEAERO CCOCCC[NH2+]CCN(CC(C)C)C1CC1 ZINC000053429279 170380535 /nfs/dbraw/zinc/38/05/35/170380535.db2.gz SISGYCVMWYYOCO-UHFFFAOYSA-N 1 0 242.407 2.123 10 0 BEAERO CCOCCC[NH2+]CCN1CCC[C@@H](C)CC1 ZINC000104346315 170380635 /nfs/dbraw/zinc/38/06/35/170380635.db2.gz COGGJFJMSZPYBB-CQSZACIVSA-N 1 0 242.407 2.125 10 0 BEAERO CCOCCC[NH2+]CCN1CCC(C)(C)CC1 ZINC000061823437 170380702 /nfs/dbraw/zinc/38/07/02/170380702.db2.gz NUYYNINPDXYKCM-UHFFFAOYSA-N 1 0 242.407 2.125 10 0 BEAERO CCCc1nccnc1NC[C@H]1CCC[N@@H+]1CC ZINC000663319348 411623935 /nfs/dbraw/zinc/62/39/35/411623935.db2.gz RVQKYDIMPAVUCO-GFCCVEGCSA-N 1 0 248.374 2.325 10 0 BEAERO CO[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1CCCC1 ZINC000663366402 411638667 /nfs/dbraw/zinc/63/86/67/411638667.db2.gz IGNVJNVVEYDDPQ-QWHCGFSZSA-N 1 0 243.391 2.188 10 0 BEAERO CCOCCO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042916467 170421429 /nfs/dbraw/zinc/42/14/29/170421429.db2.gz GVGMOMIVBDICEY-ZWNOBZJWSA-N 1 0 241.306 2.267 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CC3CC=CC3)C[C@H]2C1 ZINC000660805947 411640296 /nfs/dbraw/zinc/64/02/96/411640296.db2.gz GZEFNECEFXREGZ-BFHYXJOUSA-N 1 0 221.344 2.045 10 0 BEAERO CCOC[C@@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000122370768 170433269 /nfs/dbraw/zinc/43/32/69/170433269.db2.gz RQUHBKWTKCADBJ-ZYHUDNBSSA-N 1 0 221.300 2.135 10 0 BEAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000657808995 411601652 /nfs/dbraw/zinc/60/16/52/411601652.db2.gz RPPTUIAXLLWNOS-HHISKICNSA-N 1 0 235.327 2.264 10 0 BEAERO OCC1CC([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000657810994 411602986 /nfs/dbraw/zinc/60/29/86/411602986.db2.gz QDVVHWIDERFEBL-UHFFFAOYSA-N 1 0 230.311 2.028 10 0 BEAERO CC[C@H]1CCC[C@H]([NH2+]C2CC(CO)C2)C1 ZINC000657812318 411603545 /nfs/dbraw/zinc/60/35/45/411603545.db2.gz HVBXTNZDRXILAB-QCXCNERSSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1nccc(C[NH2+][C@H](C)C(C)(C)C)n1 ZINC000133306401 411707416 /nfs/dbraw/zinc/70/74/16/411707416.db2.gz XTJMTXFRCOKTHZ-SECBINFHSA-N 1 0 207.321 2.309 10 0 BEAERO CCOc1ccc(OCC[NH2+]CC2CC2)cc1 ZINC000041266928 170556457 /nfs/dbraw/zinc/55/64/57/170556457.db2.gz PTEFEFCLIMDXMH-UHFFFAOYSA-N 1 0 235.327 2.464 10 0 BEAERO CCOc1ccc(O[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000019257609 170557031 /nfs/dbraw/zinc/55/70/31/170557031.db2.gz GNEGVDMUMWOXCN-STQMWFEESA-N 1 0 221.300 2.344 10 0 BEAERO CCOc1ccc([C@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000040941999 170562799 /nfs/dbraw/zinc/56/27/99/170562799.db2.gz JUSMYCKGUHCYBH-YPMHNXCESA-N 1 0 221.300 2.122 10 0 BEAERO CCOc1cccc(OCCC[NH2+]C)c1 ZINC000019669834 170582601 /nfs/dbraw/zinc/58/26/01/170582601.db2.gz SWIBLYPQJRVEEH-UHFFFAOYSA-N 1 0 209.289 2.074 10 0 BEAERO CCOc1cccc(OCC[C@H](C)[NH3+])c1 ZINC000032012302 170583527 /nfs/dbraw/zinc/58/35/27/170583527.db2.gz ICNWWCRKFBPDPA-JTQLQIEISA-N 1 0 209.289 2.201 10 0 BEAERO CCOc1cccc([C@@H](O)[C@H]2CCCC[NH2+]2)c1 ZINC000041265931 170584516 /nfs/dbraw/zinc/58/45/16/170584516.db2.gz UOVARVDGDADZMN-ZIAGYGMSSA-N 1 0 235.327 2.261 10 0 BEAERO CCOc1ncc(C[NH2+]C(C)C)s1 ZINC000045205448 170603698 /nfs/dbraw/zinc/60/36/98/170603698.db2.gz QOIVDFBYOFLCQM-UHFFFAOYSA-N 1 0 200.307 2.040 10 0 BEAERO CCSc1ccc([C@H](CCO)[NH2+]C)cc1 ZINC000096890927 170655008 /nfs/dbraw/zinc/65/50/08/170655008.db2.gz FHOMDZQAAPWYQB-LBPRGKRZSA-N 1 0 225.357 2.442 10 0 BEAERO CC[C@@H](C(=O)N(C)[C@H](C)CC[NH3+])c1ccccc1 ZINC000063085730 170660812 /nfs/dbraw/zinc/66/08/12/170660812.db2.gz OQFMEQKXHJHSGS-TZMCWYRMSA-N 1 0 248.370 2.376 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@@H](O)c1ccccc1OC ZINC000133535049 170707023 /nfs/dbraw/zinc/70/70/23/170707023.db2.gz ZRVBKBREHZOPSK-DGCLKSJQSA-N 1 0 237.343 2.364 10 0 BEAERO CC[C@@H](C)N(CCOC)c1ccccc1C(N)=[NH2+] ZINC000042583936 170730475 /nfs/dbraw/zinc/73/04/75/170730475.db2.gz PLGWJGFZPHHHPT-LLVKDONJSA-N 1 0 249.358 2.222 10 0 BEAERO CC[C@@H](C)OCCOc1ccc(CC[NH3+])cc1 ZINC000048264062 170764984 /nfs/dbraw/zinc/76/49/84/170764984.db2.gz LMFGOPKMCAAHBO-GFCCVEGCSA-N 1 0 237.343 2.382 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000020265817 170776740 /nfs/dbraw/zinc/77/67/40/170776740.db2.gz FLCRXCMVIFGXDZ-VXGBXAGGSA-N 1 0 226.364 2.153 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892124 170779265 /nfs/dbraw/zinc/77/92/65/170779265.db2.gz YWOSVEHZOGYMNB-RDDDGLTNSA-N 1 0 220.272 2.167 10 0 BEAERO CC[C@@H](C)[C@H](CN)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615231 170792849 /nfs/dbraw/zinc/79/28/49/170792849.db2.gz FKVVDBQSEQYHLP-DYEKYZERSA-N 1 0 242.407 2.107 10 0 BEAERO CC[C@@H](C[NH3+])C(=O)N[C@@H]1CCCc2ccccc21 ZINC000051631662 170822064 /nfs/dbraw/zinc/82/20/64/170822064.db2.gz SLHQUEVVBJVMHS-SMDDNHRTSA-N 1 0 246.354 2.165 10 0 BEAERO CC[C@@H]([NH3+])[C@H](c1ccccc1OC)n1ccnc1 ZINC000043098680 170869373 /nfs/dbraw/zinc/86/93/73/170869373.db2.gz WSTVICHWDUFXBQ-OCCSQVGLSA-N 1 0 245.326 2.218 10 0 BEAERO CC[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)OC ZINC000043623882 170871202 /nfs/dbraw/zinc/87/12/02/170871202.db2.gz WBJPBYWNZKNAAS-GXSJLCMTSA-N 1 0 237.299 2.037 10 0 BEAERO CC[C@@H](NC(=O)C1CCC([NH3+])CC1)C(C)C ZINC000042592827 170875654 /nfs/dbraw/zinc/87/56/54/170875654.db2.gz AFIZNIPMPKHXFQ-HTAVTVPLSA-N 1 0 226.364 2.055 10 0 BEAERO CC[C@@H]([NH2+]CCC(=O)NC(C)C)C(C)(C)C ZINC000336723537 170892943 /nfs/dbraw/zinc/89/29/43/170892943.db2.gz FALLVNVDTQISGR-LLVKDONJSA-N 1 0 228.380 2.315 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(O)cc1 ZINC000038088548 170897755 /nfs/dbraw/zinc/89/77/55/170897755.db2.gz UNWSDQPKQFDQMI-BXUZGUMPSA-N 1 0 236.359 2.383 10 0 BEAERO CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)C1CC1 ZINC000127663205 170898965 /nfs/dbraw/zinc/89/89/65/170898965.db2.gz COGKCRGXSMALCU-DGCLKSJQSA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(N)=O ZINC000061676855 170908855 /nfs/dbraw/zinc/90/88/55/170908855.db2.gz FZLAJAZMEOGKMC-GZMMTYOYSA-N 1 0 240.734 2.255 10 0 BEAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662041819 411957746 /nfs/dbraw/zinc/95/77/46/411957746.db2.gz CLAQFRHGASSKIN-MGPQQGTHSA-N 1 0 223.360 2.412 10 0 BEAERO CC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000055091071 170978957 /nfs/dbraw/zinc/97/89/57/170978957.db2.gz CZSFVGOYXSRYCF-UMSGYPCISA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@@H]1CCN(Cc2ccc(OC)cc2)CC[NH2+]1 ZINC000049660995 171010721 /nfs/dbraw/zinc/01/07/21/171010721.db2.gz LEUGXXFJMYTVBC-CQSZACIVSA-N 1 0 248.370 2.269 10 0 BEAERO CC[C@@H]1CCN(Cc2ccccn2)CCC[NH2+]1 ZINC000049666504 171012780 /nfs/dbraw/zinc/01/27/80/171012780.db2.gz RTLSYSXLWAOHOV-CYBMUJFWSA-N 1 0 233.359 2.046 10 0 BEAERO CC[C@@H]1CCN(c2cccc(OC)c2)CC[NH2+]1 ZINC000049661754 171014260 /nfs/dbraw/zinc/01/42/60/171014260.db2.gz VZHMCYJPGGNCTR-GFCCVEGCSA-N 1 0 234.343 2.274 10 0 BEAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](Cc2cnn(C)c2)C1 ZINC000050540922 171040718 /nfs/dbraw/zinc/04/07/18/171040718.db2.gz HKEOYULQEAVXMW-KWCYVHTRSA-N 1 0 235.375 2.377 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000309164135 171044634 /nfs/dbraw/zinc/04/46/34/171044634.db2.gz IFBZJAZZPVYQFX-LPWJVIDDSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000336680691 171045187 /nfs/dbraw/zinc/04/51/87/171045187.db2.gz CWCNAWPSOTUFDZ-YIYPIFLZSA-N 1 0 224.392 2.493 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000336680690 171045591 /nfs/dbraw/zinc/04/55/91/171045591.db2.gz CWCNAWPSOTUFDZ-RFQIPJPRSA-N 1 0 224.392 2.493 10 0 BEAERO CC[C@@H]1C[N@H+](CC(O)(CC)CC)CCCO1 ZINC000300938281 171076017 /nfs/dbraw/zinc/07/60/17/171076017.db2.gz RVIGGEBMBSGKKC-GFCCVEGCSA-N 1 0 229.364 2.038 10 0 BEAERO CC[C@@H]1CN(C[C@@H](C)C[NH2+]C(C)(C)C)CCO1 ZINC000052476970 171084605 /nfs/dbraw/zinc/08/46/05/171084605.db2.gz YYBBZTQMKWQVTD-QWHCGFSZSA-N 1 0 242.407 2.121 10 0 BEAERO CC[C@@H]1CN(Cc2ccc(C)c(N)c2)CC[N@@H+]1C ZINC000104357359 171089203 /nfs/dbraw/zinc/08/92/03/171089203.db2.gz WJKPTHQFDRHBCS-CQSZACIVSA-N 1 0 247.386 2.103 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccn1C ZINC000184055609 171098615 /nfs/dbraw/zinc/09/86/15/171098615.db2.gz SSYWWIFEDYSWOC-UKRRQHHQSA-N 1 0 247.386 2.084 10 0 BEAERO CC[C@@H]1CN[C@@H](C)C[N@@H+]1C1CCCCC1 ZINC000083085215 171101463 /nfs/dbraw/zinc/10/14/63/171101463.db2.gz RRVSLUMNQHHSPQ-NWDGAFQWSA-N 1 0 210.365 2.391 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1CCCOc1ccccc1 ZINC000104142525 171101988 /nfs/dbraw/zinc/10/19/88/171101988.db2.gz QMLQNZVAPWOHEP-CQSZACIVSA-N 1 0 248.370 2.139 10 0 BEAERO CC[C@@H]1COCC[N@@H+]1CC1(CO)CCCCC1 ZINC000051293686 171106932 /nfs/dbraw/zinc/10/69/32/171106932.db2.gz BPFJEOYFOSSJFH-CYBMUJFWSA-N 1 0 241.375 2.040 10 0 BEAERO CC[C@@H]1CO[C@H](c2ccc(F)c(F)c2)C[NH2+]1 ZINC000036986269 171114568 /nfs/dbraw/zinc/11/45/68/171114568.db2.gz COFZICYWGKROAT-SKDRFNHKSA-N 1 0 227.254 2.404 10 0 BEAERO CC[C@@H]1C[C@]1([NH3+])COCc1ccccc1 ZINC000211627276 171143022 /nfs/dbraw/zinc/14/30/22/171143022.db2.gz BWUCMBPEHJHZCB-OLZOCXBDSA-N 1 0 205.301 2.331 10 0 BEAERO CC[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccccc1 ZINC000082367975 171157700 /nfs/dbraw/zinc/15/77/00/171157700.db2.gz QYIOHZIVSUBXIY-UONOGXRCSA-N 1 0 218.344 2.388 10 0 BEAERO CC[C@@H]1c2[nH]cnc2CCN1Cc1ccccn1 ZINC000067803226 171162635 /nfs/dbraw/zinc/16/26/35/171162635.db2.gz RVESXZIXLXRJKV-CYBMUJFWSA-N 1 0 242.326 2.314 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)Cc1cccc(OC)c1 ZINC000168032546 171178536 /nfs/dbraw/zinc/17/85/36/171178536.db2.gz QXHNVUYPDPZKTQ-CQSZACIVSA-N 1 0 237.343 2.288 10 0 BEAERO CC[C@@](C)(O)C[N@@H+]1CCc2sccc2C1 ZINC000119399941 171179584 /nfs/dbraw/zinc/17/95/84/171179584.db2.gz WOVCJXCQNMXYFV-GFCCVEGCSA-N 1 0 225.357 2.267 10 0 BEAERO CC[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000087012050 171184568 /nfs/dbraw/zinc/18/45/68/171184568.db2.gz VMRSNQLNODYRSL-TZMCWYRMSA-N 1 0 235.327 2.130 10 0 BEAERO CC[C@@]([NH3+])(c1ccccc1)c1cncnc1 ZINC000052887700 171192924 /nfs/dbraw/zinc/19/29/24/171192924.db2.gz AJMLQRHQXBCRQI-CYBMUJFWSA-N 1 0 213.284 2.089 10 0 BEAERO CC[C@]([NH3+])(c1cnn(C)c1)c1ccccc1 ZINC000043462033 171193581 /nfs/dbraw/zinc/19/35/81/171193581.db2.gz IOEJNCQCMZAFGP-CYBMUJFWSA-N 1 0 215.300 2.032 10 0 BEAERO CC[C@@]([NH2+]C1CCCCC1)(C(N)=O)C(C)C ZINC000037969598 171194564 /nfs/dbraw/zinc/19/45/64/171194564.db2.gz WNPZPYFNSZGXGG-ZDUSSCGKSA-N 1 0 226.364 2.199 10 0 BEAERO CC[C@@]([NH2+]CC(C)C)(C(N)=O)c1ccc(C)cc1 ZINC000037951856 171194835 /nfs/dbraw/zinc/19/48/35/171194835.db2.gz IXMQCIKVQUNUBF-HNNXBMFYSA-N 1 0 248.370 2.331 10 0 BEAERO CC[C@H](C(=O)N(C)[C@H](C)CC[NH3+])c1ccccc1 ZINC000063085729 171222143 /nfs/dbraw/zinc/22/21/43/171222143.db2.gz OQFMEQKXHJHSGS-OCCSQVGLSA-N 1 0 248.370 2.376 10 0 BEAERO CC[C@H](C(=O)c1ccccc1)[N@@H+]1CCC[C@@H]1CO ZINC000050150139 171241878 /nfs/dbraw/zinc/24/18/78/171241878.db2.gz CFJCOQUWLNVVOB-ZIAGYGMSSA-N 1 0 247.338 2.105 10 0 BEAERO CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)c1cccs1 ZINC000061679248 171243238 /nfs/dbraw/zinc/24/32/38/171243238.db2.gz WQIWBXCNBKZLQP-DTWKUNHWSA-N 1 0 226.345 2.005 10 0 BEAERO CC[C@H](C)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000121183370 171283007 /nfs/dbraw/zinc/28/30/07/171283007.db2.gz CYFBZMUHLCLXQH-RYUDHWBXSA-N 1 0 221.348 2.256 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020138208 171285513 /nfs/dbraw/zinc/28/55/13/171285513.db2.gz GYWSYNCOQYSNOT-RYUDHWBXSA-N 1 0 235.327 2.462 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@H]1CNc2ccccc2O1 ZINC000054475658 171285766 /nfs/dbraw/zinc/28/57/66/171285766.db2.gz HJNALOMCCIQJOS-RYUDHWBXSA-N 1 0 234.343 2.495 10 0 BEAERO CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)[C@@H](C)COC ZINC000042517712 171296075 /nfs/dbraw/zinc/29/60/75/171296075.db2.gz HUWMYJKSJPFJAB-IHRRRGAJSA-N 1 0 244.423 2.497 10 0 BEAERO CC[C@H](C)N(C)C(=O)c1cccc(C[NH3+])c1 ZINC000037109135 171305129 /nfs/dbraw/zinc/30/51/29/171305129.db2.gz YOKOELWFDYJQQJ-JTQLQIEISA-N 1 0 220.316 2.016 10 0 BEAERO CC[C@H](C)N(C)c1ncc([C@@H](C)[NH3+])s1 ZINC000054895202 171309244 /nfs/dbraw/zinc/30/92/44/171309244.db2.gz MISQCGIBLQPUQC-JGVFFNPUSA-N 1 0 213.350 2.398 10 0 BEAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1ccccc1C ZINC000057537262 171327715 /nfs/dbraw/zinc/32/77/15/171327715.db2.gz KXHSVJLOIYEUKH-QWHCGFSZSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1ccc(C)cc1 ZINC000076634141 171335802 /nfs/dbraw/zinc/33/58/02/171335802.db2.gz YJPVNAVVLCRGIO-GXTWGEPZSA-N 1 0 248.370 2.342 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000037387006 171339430 /nfs/dbraw/zinc/33/94/30/171339430.db2.gz HCPNCHPPUUEFFP-ZDEQEGDKSA-N 1 0 240.391 2.315 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](O)c1ccc(OC)c(F)c1 ZINC000049830544 171341749 /nfs/dbraw/zinc/34/17/49/171341749.db2.gz KPKBDJGOJAEYFD-CABZTGNLSA-N 1 0 241.306 2.256 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037873103 171342371 /nfs/dbraw/zinc/34/23/71/171342371.db2.gz KALDFHPBKNRMPU-UFBFGSQYSA-N 1 0 229.270 2.386 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H](O)c1cc(C)ccc1OC ZINC000037873123 171342486 /nfs/dbraw/zinc/34/24/86/171342486.db2.gz DCFZHLKAIHKPMM-AAEUAGOBSA-N 1 0 237.343 2.425 10 0 BEAERO CC[C@H](C)[NH2+][C@@](C(N)=O)(c1ccccc1)C(C)C ZINC000038065793 171347099 /nfs/dbraw/zinc/34/70/99/171347099.db2.gz VLPGCNQNTWSSBQ-SWLSCSKDSA-N 1 0 248.370 2.411 10 0 BEAERO CC[C@H](C)Oc1nc(C)cc(C)c1C[NH3+] ZINC000040509791 171357427 /nfs/dbraw/zinc/35/74/27/171357427.db2.gz YLWUBUPGDYARDD-JTQLQIEISA-N 1 0 208.305 2.334 10 0 BEAERO CC[C@H](C)Sc1nnc(C)c(C)c1C[NH3+] ZINC000040290654 171358365 /nfs/dbraw/zinc/35/83/65/171358365.db2.gz INTWMGDJPGMYSV-ZETCQYMHSA-N 1 0 225.361 2.443 10 0 BEAERO CC[C@H](C)[C@@H](C[NH3+])N(CC)Cc1ccncc1 ZINC000042515331 171368436 /nfs/dbraw/zinc/36/84/36/171368436.db2.gz LDIRZSQQMSWKDR-GXTWGEPZSA-N 1 0 235.375 2.277 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])CN1CCc2ccccc21 ZINC000020073415 171372809 /nfs/dbraw/zinc/37/28/09/171372809.db2.gz RXBHUFGVNWLNCC-AAEUAGOBSA-N 1 0 218.344 2.423 10 0 BEAERO CC[C@H](C)[C@H](CN)[NH+]1CCC(C)(C)CC1 ZINC000061818871 171392586 /nfs/dbraw/zinc/39/25/86/171392586.db2.gz ASLWKHHRWHUOHZ-RYUDHWBXSA-N 1 0 212.381 2.482 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)Cc1ccccc1 ZINC000062188588 171395063 /nfs/dbraw/zinc/39/50/63/171395063.db2.gz QGKAQPITWJQPCQ-SCRDCRAPSA-N 1 0 248.370 2.107 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])c1nc2ccccc2n1CCO ZINC000037900716 171398200 /nfs/dbraw/zinc/39/82/00/171398200.db2.gz JRXTUPHJCYYELD-GWCFXTLKSA-N 1 0 247.342 2.075 10 0 BEAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)NC(=O)CO2 ZINC000035501740 171399254 /nfs/dbraw/zinc/39/92/54/171399254.db2.gz VGSXNUIAKKBSMN-XPTSAGLGSA-N 1 0 248.326 2.324 10 0 BEAERO CC[C@H](CCO)C[NH2+]Cc1cccn1CC ZINC000087362748 171425603 /nfs/dbraw/zinc/42/56/03/171425603.db2.gz SJLWHJGYONHKJN-GFCCVEGCSA-N 1 0 224.348 2.006 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)[NH2+]C)cc1 ZINC000662344961 412112855 /nfs/dbraw/zinc/11/28/55/412112855.db2.gz UFCJJTVXARSOCG-BXUZGUMPSA-N 1 0 248.370 2.424 10 0 BEAERO CC[C@H](C[NH2+]C)n1ncc2ccccc21 ZINC000052574305 171437682 /nfs/dbraw/zinc/43/76/82/171437682.db2.gz KMPZIPKEQNTADL-LLVKDONJSA-N 1 0 203.289 2.207 10 0 BEAERO CC[C@H](CO)[NH2+]Cc1cn(C)c2ccccc12 ZINC000045944985 171451806 /nfs/dbraw/zinc/45/18/06/171451806.db2.gz FSRPMYWFZWXVTN-GFCCVEGCSA-N 1 0 232.327 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@H](Nc2cc[nH]n2)CC1 ZINC000616600519 412202353 /nfs/dbraw/zinc/20/23/53/412202353.db2.gz CEGBJJYIUZLGKU-NSHDSACASA-N 1 0 236.363 2.475 10 0 BEAERO CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000055138175 171505527 /nfs/dbraw/zinc/50/55/27/171505527.db2.gz GVMLLUQFVIDZHC-RVMXOQNASA-N 1 0 240.391 2.301 10 0 BEAERO O=C(CC[C@H]1CCC[NH2+]1)NCCCC1CCC1 ZINC000662666478 412264329 /nfs/dbraw/zinc/26/43/29/412264329.db2.gz PMOLTUQRFQMDFW-CYBMUJFWSA-N 1 0 238.375 2.215 10 0 BEAERO CC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336732619 171703959 /nfs/dbraw/zinc/70/39/59/171703959.db2.gz LNVXGINSPONGPR-SRVKXCTJSA-N 1 0 217.328 2.265 10 0 BEAERO CC[C@]1(C(=O)NCC2CCCCC2)CC[NH2+]C1 ZINC000062890428 171711122 /nfs/dbraw/zinc/71/11/22/171711122.db2.gz OWPXSOXMXTYMKF-AWEZNQCLSA-N 1 0 238.375 2.073 10 0 BEAERO CC[C@]1([NH3+])CC=C(N)C=C1c1ccccc1 ZINC000100260244 171724082 /nfs/dbraw/zinc/72/40/82/171724082.db2.gz LBFMLNQGRLQAJP-AWEZNQCLSA-N 1 0 214.312 2.424 10 0 BEAERO CCc1c(C)nn(C[C@H]2CCC[NH2+]C2)c1C ZINC000043472192 171741399 /nfs/dbraw/zinc/74/13/99/171741399.db2.gz NKOMGFCCMMUZRK-LBPRGKRZSA-N 1 0 221.348 2.062 10 0 BEAERO CCc1ccc(-c2nnc(CC[NH2+]C)o2)cc1 ZINC000050619524 171779907 /nfs/dbraw/zinc/77/99/07/171779907.db2.gz CDFDHODPESRLAE-UHFFFAOYSA-N 1 0 231.299 2.061 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1nc2ccccc2s1 ZINC000663278869 412407348 /nfs/dbraw/zinc/40/73/48/412407348.db2.gz NIIFIONUUVYDIG-MRVPVSSYSA-N 1 0 221.329 2.316 10 0 BEAERO C[NH2+]C[C@H](C)Nc1ccc2ccccc2n1 ZINC000663280243 412408606 /nfs/dbraw/zinc/40/86/06/412408606.db2.gz FZVUMYRPVZSJMH-JTQLQIEISA-N 1 0 215.300 2.255 10 0 BEAERO CCc1ccc([C@@H](C)[NH2+]C[C@H](C)C(N)=O)cc1 ZINC000038012731 171829671 /nfs/dbraw/zinc/82/96/71/171829671.db2.gz SGURTIXEKYFJIC-WDEREUQCSA-N 1 0 234.343 2.021 10 0 BEAERO CCc1ccc([C@@H](CCC[NH3+])C(=O)N(C)C)cc1 ZINC000076634546 171833376 /nfs/dbraw/zinc/83/33/76/171833376.db2.gz PSFAEWUCJNQHGS-CQSZACIVSA-N 1 0 248.370 2.160 10 0 BEAERO CCc1cnc(CC[NH2+][C@H](C)CCOC)s1 ZINC000124644054 171909581 /nfs/dbraw/zinc/90/95/81/171909581.db2.gz YXTLVFVGHSEXIB-SNVBAGLBSA-N 1 0 242.388 2.263 10 0 BEAERO CCc1csc(N2CCC[C@@H](C[NH2+]C)C2)n1 ZINC000061894847 171930636 /nfs/dbraw/zinc/93/06/36/171930636.db2.gz JHQKYEQDXGVMLS-JTQLQIEISA-N 1 0 239.388 2.141 10 0 BEAERO CCc1nc2cccc([C@H]3C[C@H]3C[NH3+])c2o1 ZINC000145316152 172014071 /nfs/dbraw/zinc/01/40/71/172014071.db2.gz DGNSJDGKBFYVPO-WPRPVWTQSA-N 1 0 216.284 2.452 10 0 BEAERO CCc1nc2ccccc2n1CCCC(N)=[NH2+] ZINC000062807740 172014135 /nfs/dbraw/zinc/01/41/35/172014135.db2.gz HVSRXVFRRDFTOB-UHFFFAOYSA-N 1 0 230.315 2.315 10 0 BEAERO CCc1nccn1C[C@@H]([NH3+])c1ccccc1 ZINC000042419742 172024475 /nfs/dbraw/zinc/02/44/75/172024475.db2.gz FXBVTRZAUBZWNE-GFCCVEGCSA-N 1 0 215.300 2.146 10 0 BEAERO CCc1nccn1CC[NH2+]C(C1CC1)C1CC1 ZINC000053541282 172025210 /nfs/dbraw/zinc/02/52/10/172025210.db2.gz JIRMATDQXNJMGP-UHFFFAOYSA-N 1 0 233.359 2.224 10 0 BEAERO CCc1nccn1[C@@H](C[NH3+])c1sccc1C ZINC000043249258 172028865 /nfs/dbraw/zinc/02/88/65/172028865.db2.gz YVNOXANEXAADIJ-JTQLQIEISA-N 1 0 235.356 2.364 10 0 BEAERO CCc1nccn1[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902893 172029318 /nfs/dbraw/zinc/02/93/18/172029318.db2.gz RJHZDVUOYQXAOI-BXUZGUMPSA-N 1 0 229.327 2.382 10 0 BEAERO CCc1nccn1[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043107476 172029465 /nfs/dbraw/zinc/02/94/65/172029465.db2.gz ZSBGBWXDDSALRC-SKDRFNHKSA-N 1 0 235.356 2.444 10 0 BEAERO CCn1c(C)cc(C[C@H]2CCC[NH2+]2)c1C ZINC000082594058 172135970 /nfs/dbraw/zinc/13/59/70/172135970.db2.gz SOFDKNUCSQJERH-CYBMUJFWSA-N 1 0 206.333 2.419 10 0 BEAERO CCn1c(C)nnc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000108864119 172139300 /nfs/dbraw/zinc/13/93/00/172139300.db2.gz HFUDZAWWOWBGGT-QWRGUYRKSA-N 1 0 236.363 2.369 10 0 BEAERO CCn1c2cccc(F)c2nc1[C@@H](C)[NH3+] ZINC000037442612 172147947 /nfs/dbraw/zinc/14/79/47/172147947.db2.gz OOMKDSLZZKHXRZ-SSDOTTSWSA-N 1 0 207.252 2.215 10 0 BEAERO CCn1cc(C[C@]2([NH3+])CCc3ccccc32)cn1 ZINC000050541636 172176841 /nfs/dbraw/zinc/17/68/41/172176841.db2.gz QBEINPXRCXJHKX-OAHLLOKOSA-N 1 0 241.338 2.246 10 0 BEAERO CCn1cc(C[C@H]([NH3+])c2cccc(C)c2)cn1 ZINC000050542499 172176910 /nfs/dbraw/zinc/17/69/10/172176910.db2.gz QHWXCIVEFHYSQK-AWEZNQCLSA-N 1 0 229.327 2.454 10 0 BEAERO CCn1cc(C[C@]2([NH3+])CCCC[C@@H]2C)cn1 ZINC000050541616 172177231 /nfs/dbraw/zinc/17/72/31/172177231.db2.gz WFLLXEAOSKCKTL-WCQYABFASA-N 1 0 221.348 2.353 10 0 BEAERO CCn1cc([C@@H]([NH3+])C2CCCCC2)cn1 ZINC000043469296 172194142 /nfs/dbraw/zinc/19/41/42/172194142.db2.gz HHNOHENBGOTDEP-LBPRGKRZSA-N 1 0 207.321 2.483 10 0 BEAERO CCn1cc([C@@H]([NH3+])c2cccs2)cn1 ZINC000043469020 172195342 /nfs/dbraw/zinc/19/53/42/172195342.db2.gz KFFPYWAMCMMZLQ-SNVBAGLBSA-N 1 0 207.302 2.013 10 0 BEAERO CCn1cc([C@@]2([NH3+])CCC[C@H](C)C2)cn1 ZINC000043467632 172195652 /nfs/dbraw/zinc/19/56/52/172195652.db2.gz ZAZXCKVCILFMID-CMPLNLGQSA-N 1 0 207.321 2.267 10 0 BEAERO CCn1cc([C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000060714801 172196311 /nfs/dbraw/zinc/19/63/11/172196311.db2.gz SIVOVWGDCNBMIC-NWDGAFQWSA-N 1 0 207.321 2.278 10 0 BEAERO CCn1cc([C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000060714805 172198957 /nfs/dbraw/zinc/19/89/57/172198957.db2.gz SIVOVWGDCNBMIC-VXGBXAGGSA-N 1 0 207.321 2.278 10 0 BEAERO CCn1cccc1C[NH2+]CCCSC ZINC000085609707 172207256 /nfs/dbraw/zinc/20/72/56/172207256.db2.gz WGLYNRNHQAFNIR-UHFFFAOYSA-N 1 0 212.362 2.351 10 0 BEAERO CCn1cccc1C[NH2+]Cc1ccco1 ZINC000045205830 172207982 /nfs/dbraw/zinc/20/79/82/172207982.db2.gz YUKOUPKHQUMJRH-UHFFFAOYSA-N 1 0 204.273 2.391 10 0 BEAERO CCn1cccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000091127910 172208006 /nfs/dbraw/zinc/20/80/06/172208006.db2.gz RTAFXLQASJSDRQ-TZMCWYRMSA-N 1 0 236.359 2.149 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000091127909 172208315 /nfs/dbraw/zinc/20/83/15/172208315.db2.gz RTAFXLQASJSDRQ-GXTWGEPZSA-N 1 0 236.359 2.149 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](C)CN1CCCCC1 ZINC000091025240 172209514 /nfs/dbraw/zinc/20/95/14/172209514.db2.gz RFGNMLLHEHBWJB-AWEZNQCLSA-N 1 0 249.402 2.472 10 0 BEAERO CCn1ccnc1C[C@H]([NH3+])Cc1ccccc1 ZINC000061881038 172226647 /nfs/dbraw/zinc/22/66/47/172226647.db2.gz JDWNQGVCSZHIPD-CYBMUJFWSA-N 1 0 229.327 2.016 10 0 BEAERO CCn1ccnc1Oc1cccc(C[NH3+])c1 ZINC000050614534 172227155 /nfs/dbraw/zinc/22/71/55/172227155.db2.gz QRTMYJZWIVRNII-UHFFFAOYSA-N 1 0 217.272 2.154 10 0 BEAERO CCn1ccnc1[C@H]([NH2+]C)c1cccs1 ZINC000041048683 172230479 /nfs/dbraw/zinc/23/04/79/172230479.db2.gz OUTYYOXKWRSLPB-SNVBAGLBSA-N 1 0 221.329 2.273 10 0 BEAERO CN(C(=O)CC(F)(F)F)c1ccc(C[NH3+])cc1 ZINC000034653599 172301568 /nfs/dbraw/zinc/30/15/68/172301568.db2.gz VZDIJKYGIJYIOY-UHFFFAOYSA-N 1 0 246.232 2.061 10 0 BEAERO CN(C)c1ccc(C[C@H]2CCC[NH2+]2)cc1 ZINC000074368938 172554065 /nfs/dbraw/zinc/55/40/65/172554065.db2.gz OCCVZOIDCKDVEN-GFCCVEGCSA-N 1 0 204.317 2.047 10 0 BEAERO CN(CC[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000061992736 172747243 /nfs/dbraw/zinc/74/72/43/172747243.db2.gz JYUUIYJLGHWDQE-HNNXBMFYSA-N 1 0 230.355 2.358 10 0 BEAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)CC(C)(C)C ZINC000019843773 172778874 /nfs/dbraw/zinc/77/88/74/172778874.db2.gz PPAVRHUSUYHCBW-GFCCVEGCSA-N 1 0 240.391 2.413 10 0 BEAERO CN(c1nc2ccccc2o1)C1CC[NH2+]CC1 ZINC000034320612 172952302 /nfs/dbraw/zinc/95/23/02/172952302.db2.gz GUPVGZMYVKFAJU-UHFFFAOYSA-N 1 0 231.299 2.016 10 0 BEAERO C[NH+]1CCC([C@H]2Cc3ccccc3C2=O)CC1 ZINC000013449592 173000366 /nfs/dbraw/zinc/00/03/66/173000366.db2.gz MYHFJXQJXDZOAD-CQSZACIVSA-N 1 0 229.323 2.383 10 0 BEAERO CN1CCC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000084309891 173002846 /nfs/dbraw/zinc/00/28/46/173002846.db2.gz LEUCEWVWSFMQDT-UHFFFAOYSA-N 1 0 232.327 2.028 10 0 BEAERO C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000017299065 173009369 /nfs/dbraw/zinc/00/93/69/173009369.db2.gz JGAYLCZXGQAXQC-STQMWFEESA-N 1 0 205.301 2.204 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2ccc(Cl)cc2N)C1 ZINC000040715829 173020646 /nfs/dbraw/zinc/02/06/46/173020646.db2.gz HYQHLKOXJPPMLD-SNVBAGLBSA-N 1 0 239.750 2.428 10 0 BEAERO C[N@@H+]1CCC[C@@H](Nc2ncccc2Cl)C1 ZINC000040673514 173023968 /nfs/dbraw/zinc/02/39/68/173023968.db2.gz HBOVMRUVPVULED-SECBINFHSA-N 1 0 225.723 2.241 10 0 BEAERO C[N@@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC000003638700 173039920 /nfs/dbraw/zinc/03/99/20/173039920.db2.gz GKNNRYJKHVPYCJ-ZDUSSCGKSA-N 1 0 233.311 2.072 10 0 BEAERO CN1CCC[C@H](C[NH3+])[C@H]1c1cccc(F)c1 ZINC000082363307 173041949 /nfs/dbraw/zinc/04/19/49/173041949.db2.gz KXIWIWMASMGMSD-DGCLKSJQSA-N 1 0 222.307 2.167 10 0 BEAERO C[N@@H+]1CCC[C@H](CNOCc2ccccc2)C1 ZINC000083106286 173043066 /nfs/dbraw/zinc/04/30/66/173043066.db2.gz PNHLBOHOGXPOGT-CQSZACIVSA-N 1 0 234.343 2.050 10 0 BEAERO CN1CC[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068592620 173113313 /nfs/dbraw/zinc/11/33/13/173113313.db2.gz ZIENPKRHFNGHTN-JQWIXIFHSA-N 1 0 224.735 2.292 10 0 BEAERO C[N@@H+]1CC[C@@H](CNCc2ccc(Cl)s2)C1 ZINC000037484773 173115737 /nfs/dbraw/zinc/11/57/37/173115737.db2.gz PQPSGOKKSTUZJN-VIFPVBQESA-N 1 0 244.791 2.443 10 0 BEAERO C[N@@H+]1CC[C@@H](CNc2ncccc2Cl)C1 ZINC000037485176 173118293 /nfs/dbraw/zinc/11/82/93/173118293.db2.gz MINXIEMFVXWFRT-VIFPVBQESA-N 1 0 225.723 2.099 10 0 BEAERO C[N@@H+]1CC[C@@H](CNc2ccc(Cl)cn2)C1 ZINC000037485178 173118549 /nfs/dbraw/zinc/11/85/49/173118549.db2.gz LRUHBJIGHJLDNU-VIFPVBQESA-N 1 0 225.723 2.099 10 0 BEAERO CN1CC[C@H]([NH3+])Cc2cc(Cl)ccc21 ZINC000082952743 173148595 /nfs/dbraw/zinc/14/85/95/173148595.db2.gz GZWGVSUUOATWFT-JTQLQIEISA-N 1 0 210.708 2.050 10 0 BEAERO C[N@@H+]1CC[C@H](c2nc3ccccc3o2)C1 ZINC000049168873 173158218 /nfs/dbraw/zinc/15/82/18/173158218.db2.gz HNGIJUZVDGTUID-VIFPVBQESA-N 1 0 202.257 2.247 10 0 BEAERO C[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000028014085 173174482 /nfs/dbraw/zinc/17/44/82/173174482.db2.gz RRVAXYNIZVUICS-UHFFFAOYSA-N 1 0 213.284 2.065 10 0 BEAERO CN1C[C@@H](CC[NH3+])c2ccc(Cl)cc21 ZINC000071484002 173183648 /nfs/dbraw/zinc/18/36/48/173183648.db2.gz VCOBUVBGNOYTGC-MRVPVSSYSA-N 1 0 210.708 2.222 10 0 BEAERO CN1C[C@@H](c2c(Cl)cccc2Cl)NC1=[NH2+] ZINC000027707779 173188901 /nfs/dbraw/zinc/18/89/01/173188901.db2.gz NEBKNCKXVYRHIZ-QMMMGPOBSA-N 1 0 244.125 2.295 10 0 BEAERO C[N@@H+]1C[C@H](c2ccccc2)NCC1(C)C ZINC000082380072 173195764 /nfs/dbraw/zinc/19/57/64/173195764.db2.gz RHRQKIITHXHTPS-GFCCVEGCSA-N 1 0 204.317 2.041 10 0 BEAERO CNC(=O)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000044987559 173260853 /nfs/dbraw/zinc/26/08/53/173260853.db2.gz YAJSHTWTERKQBD-FRRDWIJNSA-N 1 0 240.391 2.173 10 0 BEAERO CNC(=O)Oc1cccc([C@@H](C)[NH+](C)C)c1 ZINC000000967935 173293299 /nfs/dbraw/zinc/29/32/99/173293299.db2.gz KQOUPMYYRQWZLI-SECBINFHSA-N 1 0 222.288 2.027 10 0 in-vitro BEAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000042560957 173295063 /nfs/dbraw/zinc/29/50/63/173295063.db2.gz NMKBFKTZOVMYMT-QWHCGFSZSA-N 1 0 248.370 2.397 10 0 BEAERO CNC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000042560572 173303601 /nfs/dbraw/zinc/30/36/01/173303601.db2.gz FPPDGPPGRCFVSU-OLZOCXBDSA-N 1 0 248.370 2.397 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C)ccc1C ZINC000061300179 173318199 /nfs/dbraw/zinc/31/81/99/173318199.db2.gz YAVCILDXNRTSQJ-UHFFFAOYSA-N 1 0 220.316 2.240 10 0 BEAERO C[NH2+]C(C)(C)CN(C)Cc1ccccc1OC ZINC000061319669 173318995 /nfs/dbraw/zinc/31/89/95/173318995.db2.gz QKXGXDZYRRDFPF-UHFFFAOYSA-N 1 0 236.359 2.125 10 0 BEAERO C[NH2+]C(C)(C)CN(C)c1ccc(F)cc1 ZINC000061319802 173319158 /nfs/dbraw/zinc/31/91/58/173319158.db2.gz HQLHJIQXIUYKPN-UHFFFAOYSA-N 1 0 210.296 2.260 10 0 BEAERO C[NH2+]C(C)(C)CN(C)[C@H]1CCCC[C@@H]1C ZINC000061319750 173319550 /nfs/dbraw/zinc/31/95/50/173319550.db2.gz KXWAYMHUBREZGN-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO C[NH2+]C1CCC(NC(=O)CC(C)(C)C)CC1 ZINC000036880536 173321776 /nfs/dbraw/zinc/32/17/76/173321776.db2.gz GBBDHDQUSWSTDD-UHFFFAOYSA-N 1 0 226.364 2.069 10 0 BEAERO C[NH2+]C1CCN(Cc2cccc(F)c2F)CC1 ZINC000037536882 173322588 /nfs/dbraw/zinc/32/25/88/173322588.db2.gz IGXXSCRNLUAJGO-UHFFFAOYSA-N 1 0 240.297 2.149 10 0 BEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cccnc1 ZINC000054601843 173323880 /nfs/dbraw/zinc/32/38/80/173323880.db2.gz MLKPSLKUGMRXKL-GOOCMWNKSA-N 1 0 245.370 2.187 10 0 BEAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(C)(C)C ZINC000054601569 173324551 /nfs/dbraw/zinc/32/45/51/173324551.db2.gz BLDAOAPMVNZDRW-YOGCLGLASA-N 1 0 210.365 2.390 10 0 BEAERO C[NH2+]C1CCN([C@H](C)c2ccc(C)o2)CC1 ZINC000049216721 173324590 /nfs/dbraw/zinc/32/45/90/173324590.db2.gz YXVQILHLVUMFTF-LLVKDONJSA-N 1 0 222.332 2.333 10 0 BEAERO C[NH2+]CC(=O)c1c[nH]c2c1cccc2Cl ZINC000082599758 173335422 /nfs/dbraw/zinc/33/54/22/173335422.db2.gz YOMBLARWAZYEJW-UHFFFAOYSA-N 1 0 222.675 2.223 10 0 BEAERO C[NH2+]CC(C)(C)CN1Cc2ccccc2C1 ZINC000051249412 173336258 /nfs/dbraw/zinc/33/62/58/173336258.db2.gz VGNJPSWBUIVVIY-UHFFFAOYSA-N 1 0 218.344 2.248 10 0 BEAERO C[NH2+]CC(=O)c1ccc(Cl)cc1Cl ZINC000041612344 173336375 /nfs/dbraw/zinc/33/63/75/173336375.db2.gz VIQWLSHNBWLTCC-UHFFFAOYSA-N 1 0 218.083 2.396 10 0 BEAERO C[NH2+]CC(C)(C)CN(C)c1ccccc1OC ZINC000051252844 173336823 /nfs/dbraw/zinc/33/68/23/173336823.db2.gz ARUJUIFIYJMJKK-UHFFFAOYSA-N 1 0 236.359 2.377 10 0 BEAERO C[NH2+]CC1(Cc2ccccc2)CCOCC1 ZINC000061674011 173337574 /nfs/dbraw/zinc/33/75/74/173337574.db2.gz NVBXAPIGPXCGKR-UHFFFAOYSA-N 1 0 219.328 2.245 10 0 BEAERO C[NH2+]CC1(OC2CCOCC2)CCCCC1 ZINC000050485673 173337601 /nfs/dbraw/zinc/33/76/01/173337601.db2.gz QPXNUJJUFCYZHL-UHFFFAOYSA-N 1 0 227.348 2.104 10 0 BEAERO C[NH2+]CC1(Cc2cccs2)CCOCC1 ZINC000061674021 173337725 /nfs/dbraw/zinc/33/77/25/173337725.db2.gz ITZGUESVBXPWDW-UHFFFAOYSA-N 1 0 225.357 2.307 10 0 BEAERO C[NH2+]CCC(=O)OCc1cc(C)c(C)cc1C ZINC000077371370 173342286 /nfs/dbraw/zinc/34/22/86/173342286.db2.gz ZOIHLWGLTUGTTD-UHFFFAOYSA-N 1 0 235.327 2.265 10 0 BEAERO C[NH2+]CCCCCOc1ccc2c(c1)OCO2 ZINC000052649057 173345120 /nfs/dbraw/zinc/34/51/20/173345120.db2.gz IGOODBQHZXQQKC-UHFFFAOYSA-N 1 0 237.299 2.184 10 0 BEAERO C[NH2+]CCCN(C)c1cccc(Cl)c1 ZINC000077305299 173347466 /nfs/dbraw/zinc/34/74/66/173347466.db2.gz WIHJFZBFUSCJTA-UHFFFAOYSA-N 1 0 212.724 2.386 10 0 BEAERO C[NH2+]CCCc1cc(OC)c(OC)cc1C ZINC000098124866 173350697 /nfs/dbraw/zinc/35/06/97/173350697.db2.gz ALAJLZWVEFCQRC-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO C[NH2+]CCCc1cc(OC)c(C)cc1OC ZINC000071531304 173350732 /nfs/dbraw/zinc/35/07/32/173350732.db2.gz RRETVFIFUQKYLK-UHFFFAOYSA-N 1 0 223.316 2.164 10 0 BEAERO C[NH2+]CCN(C)CCc1cc(Cl)ccc1F ZINC000077397756 173352913 /nfs/dbraw/zinc/35/29/13/173352913.db2.gz AVIOFZYHSOGICF-UHFFFAOYSA-N 1 0 244.741 2.173 10 0 BEAERO C[NH2+]CCN(C)CCc1c(C)cc(C)cc1C ZINC000077370029 173352953 /nfs/dbraw/zinc/35/29/53/173352953.db2.gz VRZLHAQWOOTHBY-UHFFFAOYSA-N 1 0 234.387 2.306 10 0 BEAERO C[NH2+]CCN(C)c1ccc(Cl)s1 ZINC000077298275 173353648 /nfs/dbraw/zinc/35/36/48/173353648.db2.gz UROLQLIFKDMKPC-UHFFFAOYSA-N 1 0 204.726 2.057 10 0 BEAERO C[NH2+]CCNc1ccccc1OC(C)C ZINC000066189911 173356966 /nfs/dbraw/zinc/35/69/66/173356966.db2.gz HJTCMGZKRURGTF-UHFFFAOYSA-N 1 0 208.305 2.105 10 0 BEAERO C[NH2+]CC[C@@H](C)Oc1cccc(OC)c1 ZINC000041218723 173357336 /nfs/dbraw/zinc/35/73/36/173357336.db2.gz CZCVTZGXGXSPTK-SNVBAGLBSA-N 1 0 209.289 2.072 10 0 BEAERO C[NH2+]CC[C@@H](C)c1cc(OC)ccc1OC ZINC000011630074 173357367 /nfs/dbraw/zinc/35/73/67/173357367.db2.gz HVFDDAHLBWVVSS-SNVBAGLBSA-N 1 0 223.316 2.417 10 0 BEAERO C[NH2+]CC[C@@H](C)Oc1ccc(C)cc1OC ZINC000041243145 173357534 /nfs/dbraw/zinc/35/75/34/173357534.db2.gz DIRGDTQQPANEPH-LLVKDONJSA-N 1 0 223.316 2.380 10 0 BEAERO C[NH2+]CCOc1ccc(F)cc1Br ZINC000019776820 173357559 /nfs/dbraw/zinc/35/75/59/173357559.db2.gz WSRMXWXXUDEZBB-UHFFFAOYSA-N 1 0 248.095 2.186 10 0 BEAERO C[NH2+]CC[C@@H](C)Cc1cccc(OC)c1 ZINC000041216379 173357628 /nfs/dbraw/zinc/35/76/28/173357628.db2.gz UHMXRFZQMKVZEB-LLVKDONJSA-N 1 0 207.317 2.483 10 0 BEAERO C[NH2+]CC[C@H](C)n1ncc2ccccc21 ZINC000052574128 173358629 /nfs/dbraw/zinc/35/86/29/173358629.db2.gz PPPQTXOOIUVSJR-JTQLQIEISA-N 1 0 203.289 2.207 10 0 BEAERO C[NH2+]CCc1ccc(F)cc1Br ZINC000053301897 173359977 /nfs/dbraw/zinc/35/99/77/173359977.db2.gz SOYRGAHYOIIQIT-UHFFFAOYSA-N 1 0 232.096 2.350 10 0 BEAERO C[NH2+]CCc1coc2c1cccc2OC ZINC000034200090 173360145 /nfs/dbraw/zinc/36/01/45/173360145.db2.gz UOEHTCFTLWSMCM-UHFFFAOYSA-N 1 0 205.257 2.203 10 0 BEAERO C[NH2+]CCc1ccc2cccc(OC)c2n1 ZINC000062572169 173360458 /nfs/dbraw/zinc/36/04/58/173360458.db2.gz GYJFHAIDYMXBCK-UHFFFAOYSA-N 1 0 216.284 2.005 10 0 BEAERO C[NH2+]CCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000076040084 173360986 /nfs/dbraw/zinc/36/09/86/173360986.db2.gz ZDULIFRQPDHMCV-UHFFFAOYSA-N 1 0 243.232 2.344 10 0 BEAERO C[NH2+]CCc1nc2c(s1)CCCCC2 ZINC000003708432 173361240 /nfs/dbraw/zinc/36/12/40/173361240.db2.gz OHLIMPBQGUBPEX-UHFFFAOYSA-N 1 0 210.346 2.174 10 0 BEAERO C[NH2+]CCc1nnc(-c2cccc(C)c2C)o1 ZINC000050619487 173362052 /nfs/dbraw/zinc/36/20/52/173362052.db2.gz JOPIGCXZAVBMEV-UHFFFAOYSA-N 1 0 231.299 2.115 10 0 BEAERO C[NH2+]C[C@@H](C)CCOc1ccc(F)cc1 ZINC000041225678 173364313 /nfs/dbraw/zinc/36/43/13/173364313.db2.gz CHSMVIYSPSJOCY-JTQLQIEISA-N 1 0 211.280 2.450 10 0 BEAERO C[NH2+]C[C@@H](C)n1ccnc1-c1ccccc1 ZINC000053539890 173364908 /nfs/dbraw/zinc/36/49/08/173364908.db2.gz SZRVGXGCBKIVAT-LLVKDONJSA-N 1 0 215.300 2.331 10 0 BEAERO C[NH2+]C[C@@H](C)c1c(OC)cc(OC)cc1OC ZINC000107291465 173365003 /nfs/dbraw/zinc/36/50/03/173365003.db2.gz YQECGIGJUIUOSK-SECBINFHSA-N 1 0 239.315 2.035 10 0 BEAERO C[NH2+]C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000037871872 173365703 /nfs/dbraw/zinc/36/57/03/173365703.db2.gz JRULXBAPPRWHLN-SECBINFHSA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@@H](OCCCc1ccncc1)C(C)C ZINC000052643780 173367041 /nfs/dbraw/zinc/36/70/41/173367041.db2.gz AEJYBPUIYQYWNI-CQSZACIVSA-N 1 0 236.359 2.275 10 0 BEAERO C[NH2+]C[C@@H]1CCCN1c1ccc2ccccc2n1 ZINC000053703604 173369714 /nfs/dbraw/zinc/36/97/14/173369714.db2.gz CVBXGLKUDQJIQK-ZDUSSCGKSA-N 1 0 241.338 2.423 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000011892233 173370890 /nfs/dbraw/zinc/37/08/90/173370890.db2.gz LWIODFBAEVJDDE-JTQLQIEISA-N 1 0 224.735 2.386 10 0 BEAERO C[NH2+]C[C@@H]1CC[C@H](COCC2CCCCC2)O1 ZINC000052708136 173371481 /nfs/dbraw/zinc/37/14/81/173371481.db2.gz MUZBBTYRSVXQEB-UONOGXRCSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000054590114 173371594 /nfs/dbraw/zinc/37/15/94/173371594.db2.gz DIUJWQHMGRSKEO-GXFFZTMASA-N 1 0 205.301 2.192 10 0 BEAERO C[NH2+]C[C@@]1(Cc2ccc(F)cc2F)CCOC1 ZINC000054663899 173372921 /nfs/dbraw/zinc/37/29/21/173372921.db2.gz NMESKXQBVXUORU-ZDUSSCGKSA-N 1 0 241.281 2.133 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1ccc2ccccc2c1 ZINC000055032699 173373596 /nfs/dbraw/zinc/37/35/96/173373596.db2.gz FIQITACCAAACRU-CQSZACIVSA-N 1 0 215.296 2.267 10 0 BEAERO C[NH2+]C[C@H](C)CCOc1ccccc1OC ZINC000041242909 173375132 /nfs/dbraw/zinc/37/51/32/173375132.db2.gz BFGOPHYQCHRHEE-LLVKDONJSA-N 1 0 223.316 2.320 10 0 BEAERO C[NH2+]C[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000041237562 173375950 /nfs/dbraw/zinc/37/59/50/173375950.db2.gz BZOKLFXRDKUIKL-JTQLQIEISA-N 1 0 221.300 2.171 10 0 BEAERO C[NH2+]C[C@H](C)c1cc(OC)ccc1OC ZINC000006020762 173375994 /nfs/dbraw/zinc/37/59/94/173375994.db2.gz JXKNRUIQUHGQRM-VIFPVBQESA-N 1 0 209.289 2.027 10 0 BEAERO CNC[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517390 173376298 /nfs/dbraw/zinc/37/62/98/173376298.db2.gz HSGDXEFLJURHHE-WCQYABFASA-N 1 0 210.365 2.249 10 0 BEAERO C[NH2+]C[C@H](O)Cc1ccc(Cl)cc1Cl ZINC000041262194 173376496 /nfs/dbraw/zinc/37/64/96/173376496.db2.gz MFPHBFINWRYHNN-SECBINFHSA-N 1 0 234.126 2.116 10 0 BEAERO C[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000037871871 173376708 /nfs/dbraw/zinc/37/67/08/173376708.db2.gz JRULXBAPPRWHLN-VIFPVBQESA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@H](OC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000050493958 173377897 /nfs/dbraw/zinc/37/78/97/173377897.db2.gz IYQCHEWSDOXYDE-CABCVRRESA-N 1 0 249.354 2.451 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cccc(F)c2F)C1 ZINC000053031511 173381725 /nfs/dbraw/zinc/38/17/25/173381725.db2.gz ZBCCTKHDOOVXGE-SECBINFHSA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cc(C)ccc2F)C1 ZINC000053013137 173381784 /nfs/dbraw/zinc/38/17/84/173381784.db2.gz HQIVRWVONJNLMQ-LLVKDONJSA-N 1 0 222.307 2.180 10 0 BEAERO C[NH2+]C[C@H]1CCN(c2cccc(C)c2C)C1 ZINC000011892175 173382251 /nfs/dbraw/zinc/38/22/51/173382251.db2.gz NIBRMJAHPVZDII-CYBMUJFWSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@](C)(O)c1cccc2ccccc21 ZINC000055032705 173383293 /nfs/dbraw/zinc/38/32/93/173383293.db2.gz XVGVUIHIHZPRGM-AWEZNQCLSA-N 1 0 215.296 2.267 10 0 BEAERO C[NH2+]C[C@]1(OC2CCOCC2)CCC[C@H](C)C1 ZINC000050503983 173383871 /nfs/dbraw/zinc/38/38/71/173383871.db2.gz PSYAHNRMTXETPO-JSGCOSHPSA-N 1 0 241.375 2.350 10 0 BEAERO C[NH2+]Cc1c(C)nc(-c2cccc(C)n2)nc1C ZINC000104162401 173383888 /nfs/dbraw/zinc/38/38/88/173383888.db2.gz CEOMTJJJLHFRRL-UHFFFAOYSA-N 1 0 242.326 2.183 10 0 BEAERO C[NH2+]Cc1c(C)nn(Cc2ccsc2)c1C ZINC000036868509 173384710 /nfs/dbraw/zinc/38/47/10/173384710.db2.gz AYAHABCYTGSCHN-UHFFFAOYSA-N 1 0 235.356 2.329 10 0 BEAERO C[NH2+]Cc1cc(-c2cccnc2)ccc1OC ZINC000038069940 173386413 /nfs/dbraw/zinc/38/64/13/173386413.db2.gz QPXIVIKAYNIZST-UHFFFAOYSA-N 1 0 228.295 2.477 10 0 BEAERO C[NH2+]Cc1cc2c(cc1OCC(C)C)OCO2 ZINC000044418036 173387356 /nfs/dbraw/zinc/38/73/56/173387356.db2.gz ZWTPLGJQWVFRMR-UHFFFAOYSA-N 1 0 237.299 2.170 10 0 BEAERO C[NH2+]Cc1cc2ccccc2c(N(C)C)n1 ZINC000051436754 173387874 /nfs/dbraw/zinc/38/78/74/173387874.db2.gz WDEBAXYYULGUFY-UHFFFAOYSA-N 1 0 215.300 2.020 10 0 BEAERO C[NH2+]Cc1ccccc1NC(=O)C=C(C)C ZINC000036281045 173390194 /nfs/dbraw/zinc/39/01/94/173390194.db2.gz YWYAOVOIVIWBLU-UHFFFAOYSA-N 1 0 218.300 2.311 10 0 BEAERO C[NH2+]Cc1ccccc1N1CC[C@H](C)C1 ZINC000040719250 173390833 /nfs/dbraw/zinc/39/08/33/173390833.db2.gz DHHYLRALDCSQDY-NSHDSACASA-N 1 0 204.317 2.252 10 0 BEAERO C[NH2+]Cc1ccnc(-c2cccc(C)c2)n1 ZINC000045206116 173391041 /nfs/dbraw/zinc/39/10/41/173391041.db2.gz BXIUVWHLVNQUEB-UHFFFAOYSA-N 1 0 213.284 2.171 10 0 BEAERO C[NH2+]Cc1ccnc(N(C)C2CCCC2)c1 ZINC000051439080 173391550 /nfs/dbraw/zinc/39/15/50/173391550.db2.gz GFBNXEAYBPOYGN-UHFFFAOYSA-N 1 0 219.332 2.180 10 0 BEAERO C[NH2+]Cc1cnc(Cc2ccc(OC)cc2)s1 ZINC000042390275 173392187 /nfs/dbraw/zinc/39/21/87/173392187.db2.gz ACKPFJFCLNKRCT-UHFFFAOYSA-N 1 0 248.351 2.462 10 0 BEAERO C[NH2+]Cc1cnc(N2CCC[C@@H](C)C2)s1 ZINC000054900615 173392392 /nfs/dbraw/zinc/39/23/92/173392392.db2.gz MYFYEJPUBSPDPL-SECBINFHSA-N 1 0 225.361 2.099 10 0 BEAERO C[NH2+]Cc1cnc(-c2ccccc2C)nc1 ZINC000054855519 173392566 /nfs/dbraw/zinc/39/25/66/173392566.db2.gz UXGUJHUHYFLCJG-UHFFFAOYSA-N 1 0 213.284 2.171 10 0 BEAERO C[NH2+]Cc1cnc(-c2cccc(F)c2)nc1 ZINC000054855424 173392717 /nfs/dbraw/zinc/39/27/17/173392717.db2.gz DYOWCMGWRCGJAD-UHFFFAOYSA-N 1 0 217.247 2.002 10 0 BEAERO C[NH2+]Cc1csc(-c2ncccc2C)n1 ZINC000043616979 173393255 /nfs/dbraw/zinc/39/32/55/173393255.db2.gz YHKQBQZPCZEHTD-UHFFFAOYSA-N 1 0 219.313 2.233 10 0 BEAERO C[NH2+]Cc1nc(N2CC[C@@H](C)C2)ccc1Cl ZINC000051448294 173395784 /nfs/dbraw/zinc/39/57/84/173395784.db2.gz HMEWURVWYBKXFO-SECBINFHSA-N 1 0 239.750 2.301 10 0 BEAERO C[NH2+]Cc1nc(-c2cccc(Cl)c2)c[nH]1 ZINC000036877316 173397373 /nfs/dbraw/zinc/39/73/73/173397373.db2.gz OHWVIZPRTCFKFE-UHFFFAOYSA-N 1 0 221.691 2.450 10 0 BEAERO C[NH2+]Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000077325987 173397456 /nfs/dbraw/zinc/39/74/56/173397456.db2.gz RBJKOJMBUFHXQF-UHFFFAOYSA-N 1 0 218.256 2.070 10 0 BEAERO C[NH2+]Cc1nnc(-c2ccc(C)c(C)c2)o1 ZINC000050615333 173398131 /nfs/dbraw/zinc/39/81/31/173398131.db2.gz YQQCBPIUXLSLPP-UHFFFAOYSA-N 1 0 217.272 2.073 10 0 BEAERO C[NH2+][C@@H](C)Cc1nc(-c2cccc(F)c2)no1 ZINC000109504324 173416171 /nfs/dbraw/zinc/41/61/71/173416171.db2.gz OWSBCZOYIADLOU-QMMMGPOBSA-N 1 0 235.262 2.026 10 0 BEAERO C[NH2+][C@@H](C)Cn1cc(-c2ccccc2)cn1 ZINC000054961134 173417040 /nfs/dbraw/zinc/41/70/40/173417040.db2.gz FXKAFVNTGJPBAJ-NSHDSACASA-N 1 0 215.300 2.158 10 0 BEAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1cncnc1 ZINC000060716849 173431961 /nfs/dbraw/zinc/43/19/61/173431961.db2.gz HVTPVJBWIYIRTR-VXGBXAGGSA-N 1 0 205.305 2.112 10 0 BEAERO C[NH2+][C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000053203717 173433266 /nfs/dbraw/zinc/43/32/66/173433266.db2.gz UZHSBPHBUUVEMU-LLVKDONJSA-N 1 0 245.326 2.012 10 0 BEAERO C[NH2+][C@H](C)c1cc(C)ccc1O[C@H]1CCOC1 ZINC000070071689 173448579 /nfs/dbraw/zinc/44/85/79/173448579.db2.gz WMIWTYUNVRJEMG-NEPJUHHUSA-N 1 0 235.327 2.443 10 0 BEAERO C[NH2+][C@H](C)c1ccc(-n2ccc(C)n2)cc1 ZINC000052884422 173448663 /nfs/dbraw/zinc/44/86/63/173448663.db2.gz FLEZIMZOYGQVAX-LLVKDONJSA-N 1 0 215.300 2.461 10 0 BEAERO C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000034665222 173449406 /nfs/dbraw/zinc/44/94/06/173449406.db2.gz GVRSVOFBDWPYQF-SNVBAGLBSA-N 1 0 201.273 2.153 10 0 BEAERO C[NH2+][C@H](COc1ccccc1)CC1CCOCC1 ZINC000054437476 173453003 /nfs/dbraw/zinc/45/30/03/173453003.db2.gz RRHLGGCJXCLQPL-AWEZNQCLSA-N 1 0 249.354 2.470 10 0 BEAERO C[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2)[C@H]1C[C@@H]1C ZINC000035490627 173456672 /nfs/dbraw/zinc/45/66/72/173456672.db2.gz DVMOKMCAMLIKHY-ONENECBXSA-N 1 0 244.338 2.488 10 0 BEAERO COC(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000049529922 173633432 /nfs/dbraw/zinc/63/34/32/173633432.db2.gz XUIIIZPJTJVJJB-VHSXEESVSA-N 1 0 239.290 2.428 10 0 BEAERO COC(=O)c1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000044135435 173897148 /nfs/dbraw/zinc/89/71/48/173897148.db2.gz SGQRPGAFXLWANY-LBPRGKRZSA-N 1 0 219.284 2.288 10 0 BEAERO COC1(C[NH2+]C[C@@H]2CCC[C@@H]2O)CCCCC1 ZINC000319519160 174002870 /nfs/dbraw/zinc/00/28/70/174002870.db2.gz YREFMIZJFNXBFR-STQMWFEESA-N 1 0 241.375 2.086 10 0 BEAERO COC1CC([NH2+][C@H](C)COCc2ccccc2)C1 ZINC000347418336 174018734 /nfs/dbraw/zinc/01/87/34/174018734.db2.gz LFBAVRUKSAQWSD-LRVUVFPRSA-N 1 0 249.354 2.359 10 0 BEAERO COC1CCN([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000037265848 174029825 /nfs/dbraw/zinc/02/98/25/174029825.db2.gz QJKZDHKSRXKUEO-HNNXBMFYSA-N 1 0 248.370 2.106 10 0 BEAERO COC1CC[NH+]([C@H]2CCCCCC[C@H]2N)CC1 ZINC000037266218 174030998 /nfs/dbraw/zinc/03/09/98/174030998.db2.gz DATWMZZAIDNYMS-KGLIPLIRSA-N 1 0 240.391 2.147 10 0 BEAERO COC1CC[NH+]([C@@]2(CN)CCCC[C@H]2C)CC1 ZINC000037265951 174031203 /nfs/dbraw/zinc/03/12/03/174031203.db2.gz XJSYQIDRUAJWIR-TZMCWYRMSA-N 1 0 240.391 2.005 10 0 BEAERO COCCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000103226628 174177550 /nfs/dbraw/zinc/17/75/50/174177550.db2.gz XCCGVGOTAFCVGT-KBPBESRZSA-N 1 0 241.375 2.447 10 0 BEAERO COCCCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000309962361 174182428 /nfs/dbraw/zinc/18/24/28/174182428.db2.gz LWSMTCUFCCOKLU-NSHDSACASA-N 1 0 226.320 2.450 10 0 BEAERO COCCC[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000134050240 174218115 /nfs/dbraw/zinc/21/81/15/174218115.db2.gz BWRANZHFKZGSRR-UHFFFAOYSA-N 1 0 237.343 2.477 10 0 BEAERO COCCC[NH2+]CCN(C)c1cccc(C)c1 ZINC000053427731 174246780 /nfs/dbraw/zinc/24/67/80/174246780.db2.gz GAQRKDIIEMNKHR-UHFFFAOYSA-N 1 0 236.359 2.057 10 0 BEAERO COCCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000020305123 174247067 /nfs/dbraw/zinc/24/70/67/174247067.db2.gz NHKQDCHSBCCNQT-UHFFFAOYSA-N 1 0 223.316 2.135 10 0 BEAERO COCCCO[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042911679 174256166 /nfs/dbraw/zinc/25/61/66/174256166.db2.gz JDDGIXHQNWIJEC-JSGCOSHPSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042911667 174256299 /nfs/dbraw/zinc/25/62/99/174256299.db2.gz JDDGIXHQNWIJEC-TZMCWYRMSA-N 1 0 237.343 2.436 10 0 BEAERO COCCCO[C@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000037747210 174257079 /nfs/dbraw/zinc/25/70/79/174257079.db2.gz UQBGBWCNBWCZCX-UONOGXRCSA-N 1 0 235.327 2.054 10 0 BEAERO COCCCOc1ccc([C@H](C)[NH3+])cc1OC ZINC000037753388 174257230 /nfs/dbraw/zinc/25/72/30/174257230.db2.gz YKAIUFDFDRDIJX-JTQLQIEISA-N 1 0 239.315 2.130 10 0 BEAERO COCCCOc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000037753384 174257332 /nfs/dbraw/zinc/25/73/32/174257332.db2.gz ZZYXLQZLSBQFTD-LBPRGKRZSA-N 1 0 237.343 2.382 10 0 BEAERO COCCCn1c(N)[nH+]c2cccc(Cl)c21 ZINC000036899685 174266459 /nfs/dbraw/zinc/26/64/59/174266459.db2.gz HZFFUCVJLCICES-UHFFFAOYSA-N 1 0 239.706 2.308 10 0 BEAERO COCCN([C@@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000042902222 174285606 /nfs/dbraw/zinc/28/56/06/174285606.db2.gz BSEQKBFUDFFABR-SWLSCSKDSA-N 1 0 248.370 2.186 10 0 BEAERO COCCN(CC(C)C)[C@H](C)C[NH2+]CC(C)C ZINC000052508409 174286961 /nfs/dbraw/zinc/28/69/61/174286961.db2.gz ARTLFXKDMOLXOC-CQSZACIVSA-N 1 0 244.423 2.225 10 0 BEAERO COCCN(CC[NH2+]C(C)(C)C)[C@H](C)C1CC1 ZINC000044415412 174292194 /nfs/dbraw/zinc/29/21/94/174292194.db2.gz ZWSBGPPVUUKOFF-GFCCVEGCSA-N 1 0 242.407 2.121 10 0 BEAERO COCC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)C1CC1 ZINC000042689389 174297207 /nfs/dbraw/zinc/29/72/07/174297207.db2.gz CDBXANRFZGCQCD-JSGCOSHPSA-N 1 0 242.407 2.107 10 0 BEAERO COCC[N@H+]([C@@H](C)C1CC1)[C@@](C)(CN)C(C)C ZINC000042615275 174302464 /nfs/dbraw/zinc/30/24/64/174302464.db2.gz YEDUPWHSBJCGED-JSGCOSHPSA-N 1 0 242.407 2.107 10 0 BEAERO COCCN1C[C@@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062623427 174316777 /nfs/dbraw/zinc/31/67/77/174316777.db2.gz ULICPXQDLWBTCI-AWEZNQCLSA-N 1 0 248.370 2.267 10 0 BEAERO COCCNC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000053098584 174330175 /nfs/dbraw/zinc/33/01/75/174330175.db2.gz PITFIMJKHWPGRN-UHFFFAOYSA-N 1 0 242.388 2.274 10 0 BEAERO COCC[NH2+]CCCc1ccccc1C ZINC000041216270 174332249 /nfs/dbraw/zinc/33/22/49/174332249.db2.gz FIPUBEVRQJFHGM-UHFFFAOYSA-N 1 0 207.317 2.164 10 0 BEAERO COCC[NH2+]CCCc1c[nH]c2ccccc12 ZINC000076287837 174332277 /nfs/dbraw/zinc/33/22/77/174332277.db2.gz DPZUVBJAMURYDE-UHFFFAOYSA-N 1 0 232.327 2.337 10 0 BEAERO COCC[NH2+]CC1(c2ccc(C)c(OC)c2)CC1 ZINC000053739172 174332319 /nfs/dbraw/zinc/33/23/19/174332319.db2.gz VUOMJHUKLJRIFZ-UHFFFAOYSA-N 1 0 249.354 2.271 10 0 BEAERO COCC[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000053738422 174332622 /nfs/dbraw/zinc/33/26/22/174332622.db2.gz GTUBVMWPBGVCIA-UHFFFAOYSA-N 1 0 237.318 2.483 10 0 BEAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(F)cc1C ZINC000054598809 174335002 /nfs/dbraw/zinc/33/50/02/174335002.db2.gz TZMPOLFQVXQRFJ-BXUZGUMPSA-N 1 0 237.318 2.474 10 0 BEAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(F)cc1C ZINC000054598812 174335108 /nfs/dbraw/zinc/33/51/08/174335108.db2.gz TZMPOLFQVXQRFJ-FZMZJTMJSA-N 1 0 237.318 2.474 10 0 BEAERO COCCOCc1cc(C[NH2+]CC(C)C)co1 ZINC000052628278 174364294 /nfs/dbraw/zinc/36/42/94/174364294.db2.gz QYGVMTGNMSWFSG-UHFFFAOYSA-N 1 0 241.331 2.188 10 0 BEAERO COCCOc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000071569956 174368522 /nfs/dbraw/zinc/36/85/22/174368522.db2.gz IBVQWFAPASKUQJ-CQSZACIVSA-N 1 0 249.354 2.254 10 0 BEAERO COCC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000053817345 174393344 /nfs/dbraw/zinc/39/33/44/174393344.db2.gz MMKDUVUWLDJSBD-SNVBAGLBSA-N 1 0 201.216 2.001 10 0 BEAERO COC[C@@](C)([NH3+])c1cc(C)c(OC)cc1C ZINC000077335991 174522122 /nfs/dbraw/zinc/52/21/22/174522122.db2.gz YIRAZUIHWBCNIY-CYBMUJFWSA-N 1 0 223.316 2.132 10 0 BEAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(C)(C)OC)C1(C)C ZINC000309411641 174781731 /nfs/dbraw/zinc/78/17/31/174781731.db2.gz BWROCSUQLHXHHV-HBNTYKKESA-N 1 0 229.364 2.061 10 0 BEAERO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042956384 174871637 /nfs/dbraw/zinc/87/16/37/174871637.db2.gz WMCBXGLHDYAABK-XVKPBYJWSA-N 1 0 244.132 2.484 10 0 BEAERO COc1cc(C)cc(C)c1[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000083266763 174965478 /nfs/dbraw/zinc/96/54/78/174965478.db2.gz MAKNPTPDYXCDSA-SMDDNHRTSA-N 1 0 235.327 2.097 10 0 BEAERO COc1cc(F)c(C(C)(C)[NH3+])cc1F ZINC000083255971 174991846 /nfs/dbraw/zinc/99/18/46/174991846.db2.gz VCXBOIBMCGMBSD-UHFFFAOYSA-N 1 0 201.216 2.167 10 0 BEAERO COc1cc(F)c([C@@H](C)C[NH3+])cc1F ZINC000083255997 174992720 /nfs/dbraw/zinc/99/27/20/174992720.db2.gz VMRMGWQHYCDKFV-LURJTMIESA-N 1 0 201.216 2.036 10 0 BEAERO COc1cc(OC)c([C@H]([NH3+])C(C)C)cc1OC ZINC000083256093 175008050 /nfs/dbraw/zinc/00/80/50/175008050.db2.gz WVEDUSGWNXYHCR-CYBMUJFWSA-N 1 0 239.315 2.368 10 0 BEAERO COc1cc(OC)cc(OCC(C)(C)C[NH3+])c1 ZINC000041282154 175010082 /nfs/dbraw/zinc/01/00/82/175010082.db2.gz XAHTYBVKANLDHQ-UHFFFAOYSA-N 1 0 239.315 2.068 10 0 BEAERO COc1cc(OC)cc([C@H]2CC[NH2+][C@H]2C)c1 ZINC000051954195 175011212 /nfs/dbraw/zinc/01/12/12/175011212.db2.gz NDRZOUMFNFSYEU-ZANVPECISA-N 1 0 221.300 2.169 10 0 BEAERO COc1cc([C@H](C)OCC[NH3+])c(OC)cc1C ZINC000071549503 175016271 /nfs/dbraw/zinc/01/62/71/175016271.db2.gz WTOMZGSWVVFQPM-JTQLQIEISA-N 1 0 239.315 2.049 10 0 BEAERO COc1cc2c(C[NH3+])c[nH]c2cc1Cl ZINC000082595094 175019159 /nfs/dbraw/zinc/01/91/59/175019159.db2.gz HMQCZKLJXWEBTG-UHFFFAOYSA-N 1 0 210.664 2.289 10 0 BEAERO COc1cc2c(c(C(C)(C)C)c1)OC[C@H]2[NH3+] ZINC000035652777 175019302 /nfs/dbraw/zinc/01/93/02/175019302.db2.gz MLQJKWZWQUVLQS-LLVKDONJSA-N 1 0 221.300 2.385 10 0 BEAERO COc1cc2c(cc1O)CC[N@@H+]1CCC[C@H]21 ZINC000169309103 175023420 /nfs/dbraw/zinc/02/34/20/175023420.db2.gz UPVYRZXWGMSCFU-LLVKDONJSA-N 1 0 219.284 2.094 10 0 BEAERO COc1ccc(-c2nc(C[C@@H](C)[NH3+])[nH]c2C)cc1 ZINC000037608970 175029218 /nfs/dbraw/zinc/02/92/18/175029218.db2.gz PUZXKODIUFQWND-SECBINFHSA-N 1 0 245.326 2.283 10 0 BEAERO COc1ccc(Br)cc1C1([NH3+])CC1 ZINC000071551271 175051053 /nfs/dbraw/zinc/05/10/53/175051053.db2.gz MJOODNWFDYMBOT-UHFFFAOYSA-N 1 0 242.116 2.406 10 0 BEAERO COc1ccc(C(C)C)cc1C[NH2+]C[C@@H](C)O ZINC000098126250 175069275 /nfs/dbraw/zinc/06/92/75/175069275.db2.gz YEGTWVKJFHGOSH-LLVKDONJSA-N 1 0 237.343 2.289 10 0 BEAERO COc1ccc(C)cc1C(=O)[C@@H]([NH3+])C(C)C ZINC000032013952 175073705 /nfs/dbraw/zinc/07/37/05/175073705.db2.gz HYZPPIYMCWIIDJ-LBPRGKRZSA-N 1 0 221.300 2.170 10 0 BEAERO COc1ccc(C)cc1CC(=O)[C@@H]1CCC[NH2+]C1 ZINC000041299215 175074088 /nfs/dbraw/zinc/07/40/88/175074088.db2.gz HYAJSGKMYUCFIZ-GFCCVEGCSA-N 1 0 247.338 2.115 10 0 BEAERO COc1ccc(C)cc1C[C@H]1CC[NH2+]C1 ZINC000057938264 175077131 /nfs/dbraw/zinc/07/71/31/175077131.db2.gz MWFYTFXRHIWZAG-LLVKDONJSA-N 1 0 205.301 2.156 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000033465513 175079967 /nfs/dbraw/zinc/07/99/67/175079967.db2.gz HCASEQGCXZLYQQ-RISCZKNCSA-N 1 0 235.327 2.037 10 0 BEAERO COc1ccc(C)cc1[C@@](C)(O)C[NH2+]C(C)C ZINC000033466284 175081188 /nfs/dbraw/zinc/08/11/88/175081188.db2.gz QLXIDQOZXKJATC-AWEZNQCLSA-N 1 0 237.343 2.209 10 0 BEAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccccn1 ZINC000011832354 175081786 /nfs/dbraw/zinc/08/17/86/175081786.db2.gz ZQXDDOPEHZLYRT-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1ccc(C)cc1[C@H](O)C[NH+]1CCCC1 ZINC000042244539 175082174 /nfs/dbraw/zinc/08/21/74/175082174.db2.gz ZSRWMKBCVIWBGX-CYBMUJFWSA-N 1 0 235.327 2.133 10 0 BEAERO COc1ccc(C)cc1[C@H](O)[C@H]1CCCC[NH2+]1 ZINC000070248605 175082302 /nfs/dbraw/zinc/08/23/02/175082302.db2.gz KVTDOGMVYYVNSC-OCCSQVGLSA-N 1 0 235.327 2.179 10 0 BEAERO COc1ccc(C)cc1[C@]1(C)C[C@@H]1C[NH3+] ZINC000054588028 175082743 /nfs/dbraw/zinc/08/27/43/175082743.db2.gz CKVCHVXMTWEODT-ZWNOBZJWSA-N 1 0 205.301 2.240 10 0 BEAERO COc1ccc(C2(C[NH3+])CC(C)C2)cc1OC ZINC000070527856 175084366 /nfs/dbraw/zinc/08/43/66/175084366.db2.gz GQNVYTZZCAUSGX-UHFFFAOYSA-N 1 0 235.327 2.330 10 0 BEAERO COc1ccc(CC2([NH3+])CCC2)cc1OC ZINC000016917573 175088115 /nfs/dbraw/zinc/08/81/15/175088115.db2.gz KDFNORCBDWHVBF-UHFFFAOYSA-N 1 0 221.300 2.128 10 0 BEAERO COc1ccc(CCC[NH2+]C2CC2)cc1 ZINC000036947960 175089852 /nfs/dbraw/zinc/08/98/52/175089852.db2.gz RGRVYRMUJVHHST-UHFFFAOYSA-N 1 0 205.301 2.380 10 0 BEAERO COc1ccc(CC[C@@]2(C)C[C@H]2[NH3+])cc1 ZINC000052126298 175093575 /nfs/dbraw/zinc/09/35/75/175093575.db2.gz UNABQZPCYCDAKE-OLZOCXBDSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccc(CC[C@@H]2CCC[NH2+]2)cc1OC ZINC000041266178 175093754 /nfs/dbraw/zinc/09/37/54/175093754.db2.gz BXGQHIUQNLFAOX-LBPRGKRZSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(CC[C@H]2CCC[NH2+]2)cc1OC ZINC000041266181 175093854 /nfs/dbraw/zinc/09/38/54/175093854.db2.gz BXGQHIUQNLFAOX-GFCCVEGCSA-N 1 0 235.327 2.388 10 0 BEAERO COc1ccc(CCn2ccc(CC[NH3+])c2)cc1 ZINC000071559152 175094281 /nfs/dbraw/zinc/09/42/81/175094281.db2.gz JSIBGNCJSFGHHO-UHFFFAOYSA-N 1 0 244.338 2.241 10 0 BEAERO COc1ccc(COCCC[NH3+])c(C)c1C ZINC000077336093 175113068 /nfs/dbraw/zinc/11/30/68/175113068.db2.gz IJLUDXIAKUJMAI-UHFFFAOYSA-N 1 0 223.316 2.177 10 0 BEAERO COc1ccc(COCC[NH3+])cc1C(C)C ZINC000057952723 175113082 /nfs/dbraw/zinc/11/30/82/175113082.db2.gz WCQMNYAGOQGCNG-UHFFFAOYSA-N 1 0 223.316 2.294 10 0 BEAERO COc1ccc(COc2ncccc2C[NH3+])cc1 ZINC000019965611 175114111 /nfs/dbraw/zinc/11/41/11/175114111.db2.gz YULZKJGQELBNQN-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1ccc(COc2cc(C[NH3+])ccn2)cc1 ZINC000019965609 175114528 /nfs/dbraw/zinc/11/45/28/175114528.db2.gz LFYPKNJVQRQALI-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1ccc(C[C@@H](C)[NH2+]Cc2cn[nH]c2)cc1 ZINC000038006156 175115624 /nfs/dbraw/zinc/11/56/24/175115624.db2.gz BVEUUBOBJFXHKR-LLVKDONJSA-N 1 0 245.326 2.139 10 0 BEAERO COc1ccc(C[C@H]([NH3+])c2ccc[nH]2)cc1 ZINC000011848755 175117268 /nfs/dbraw/zinc/11/72/68/175117268.db2.gz MIFDGHDNPHCEID-LBPRGKRZSA-N 1 0 216.284 2.266 10 0 BEAERO COc1ccc(C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000036163447 175117568 /nfs/dbraw/zinc/11/75/68/175117568.db2.gz IONFTQLZUNSSHQ-LLVKDONJSA-N 1 0 235.327 2.246 10 0 BEAERO COc1ccc(Cl)cc1N1CCC[NH2+]CC1 ZINC000043461280 175121063 /nfs/dbraw/zinc/12/10/63/175121063.db2.gz OHFHDBSCVQPCCA-UHFFFAOYSA-N 1 0 240.734 2.148 10 0 BEAERO COc1ccc(Cl)cc1[C@H](O)[C@H]([NH3+])C(C)C ZINC000071558233 175123385 /nfs/dbraw/zinc/12/33/85/175123385.db2.gz PFOOKDWRAHLAMD-NEPJUHHUSA-N 1 0 243.734 2.365 10 0 BEAERO COc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]1C ZINC000291290057 175129675 /nfs/dbraw/zinc/12/96/75/175129675.db2.gz VNFVLNUMTFVFBN-GZMMTYOYSA-N 1 0 209.264 2.332 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])[C@H]1CCCO1 ZINC000034957124 175132019 /nfs/dbraw/zinc/13/20/19/175132019.db2.gz YFNJZZIQNWWDQN-VXGBXAGGSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc(F)cc1[C@@H](O)CC[NH2+]C1CC1 ZINC000049829679 175133414 /nfs/dbraw/zinc/13/34/14/175133414.db2.gz PNXPRGDFVLCTEB-LBPRGKRZSA-N 1 0 239.290 2.010 10 0 BEAERO COc1ccc(F)cc1[C@H]1CC[C@H](C[NH3+])O1 ZINC000040393075 175134011 /nfs/dbraw/zinc/13/40/11/175134011.db2.gz AZMKBJHIXZCVNL-BXKDBHETSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc(NC(=O)C[NH2+]C2CCCC2)cc1 ZINC000020037052 175143031 /nfs/dbraw/zinc/14/30/31/175143031.db2.gz LCBJHRCDIXLUDU-UHFFFAOYSA-N 1 0 248.326 2.166 10 0 BEAERO COc1ccc(NC(=O)[C@@H]2[NH2+]CCC[C@H]2C)cc1 ZINC000051790690 175145785 /nfs/dbraw/zinc/14/57/85/175145785.db2.gz OROPGGHMJOUIMP-ZWNOBZJWSA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000019505810 175145860 /nfs/dbraw/zinc/14/58/60/175145860.db2.gz ODXQOPHQNYPDDB-MFKMUULPSA-N 1 0 248.326 2.164 10 0 BEAERO COc1ccc(NC(=O)[C@H]2[NH2+]CCC[C@@H]2C)cc1 ZINC000051790687 175147359 /nfs/dbraw/zinc/14/73/59/175147359.db2.gz OROPGGHMJOUIMP-GWCFXTLKSA-N 1 0 248.326 2.022 10 0 BEAERO COc1ccc(OC)c(C(=O)CC[NH2+]C2CC2)c1 ZINC000049836940 175164827 /nfs/dbraw/zinc/16/48/27/175164827.db2.gz JKSJYUFDJQCJJU-UHFFFAOYSA-N 1 0 249.310 2.029 10 0 BEAERO COc1ccc(OC)c(CC2CC[NH2+]CC2)c1 ZINC000011630924 175165174 /nfs/dbraw/zinc/16/51/74/175165174.db2.gz ARAZALDXNFRHGJ-UHFFFAOYSA-N 1 0 235.327 2.246 10 0 BEAERO COc1ccc(OC)c(CCC[C@@H](C)[NH3+])c1 ZINC000041242678 175165731 /nfs/dbraw/zinc/16/57/31/175165731.db2.gz PPSLMQFPXUBZLM-SNVBAGLBSA-N 1 0 223.316 2.374 10 0 BEAERO COc1ccc(OC)c(C[C@@H](C)[NH+](C)C)c1 ZINC000006036797 175166103 /nfs/dbraw/zinc/16/61/03/175166103.db2.gz AZSJYUNXTSRXEI-SNVBAGLBSA-N 1 0 223.316 2.196 10 0 BEAERO COc1ccc(OC)c(C[C@@H]([NH3+])C(C)C)c1 ZINC000071424738 175166181 /nfs/dbraw/zinc/16/61/81/175166181.db2.gz FMGKSYJWNFDZQX-GFCCVEGCSA-N 1 0 223.316 2.230 10 0 BEAERO COc1ccc(OC)c([C@H](C)CC[NH3+])c1 ZINC000011629523 175168911 /nfs/dbraw/zinc/16/89/11/175168911.db2.gz BPJVEDHDRFZPSZ-SECBINFHSA-N 1 0 209.289 2.156 10 0 BEAERO COc1ccc(OC)c([C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000079902848 175169025 /nfs/dbraw/zinc/16/90/25/175169025.db2.gz UAMNTFVOOIFRPQ-GHMZBOCLSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc([C@@H]([NH3+])C2CCOCC2)c(F)c1 ZINC000061672101 175179341 /nfs/dbraw/zinc/17/93/41/175179341.db2.gz AXOZKZQSOBECMB-ZDUSSCGKSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccoc2)c(OC)c1 ZINC000035379817 175180339 /nfs/dbraw/zinc/18/03/39/175180339.db2.gz XCYFVLLJFDFSGW-ZDUSSCGKSA-N 1 0 233.267 2.345 10 0 BEAERO COc1ccc([C@@H]2CCC[NH2+]2)c(OC)c1OC ZINC000036850392 175183010 /nfs/dbraw/zinc/18/30/10/175183010.db2.gz ZRKIAKZEEROPFR-JTQLQIEISA-N 1 0 237.299 2.137 10 0 BEAERO COc1ccc([C@@H]2CCC[NH2+]C2)c(F)c1F ZINC000216077312 175183098 /nfs/dbraw/zinc/18/30/98/175183098.db2.gz GBJKNXHNLCWFKG-MRVPVSSYSA-N 1 0 227.254 2.440 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C)O2)cc1C ZINC000071523075 175184232 /nfs/dbraw/zinc/18/42/32/175184232.db2.gz CMJLOXIOSXREED-MFKMUULPSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C)O2)cc1C ZINC000071523073 175184267 /nfs/dbraw/zinc/18/42/67/175184267.db2.gz CMJLOXIOSXREED-GWCFXTLKSA-N 1 0 221.300 2.053 10 0 BEAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1C ZINC000070586847 175184789 /nfs/dbraw/zinc/18/47/89/175184789.db2.gz KLYFLTKKNMFEEU-JQWIXIFHSA-N 1 0 205.301 2.469 10 0 BEAERO COc1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1F ZINC000071511553 175184792 /nfs/dbraw/zinc/18/47/92/175184792.db2.gz VVPURDLJNKCTBG-SCZZXKLOSA-N 1 0 209.264 2.300 10 0 BEAERO COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1OC ZINC000003704341 175185489 /nfs/dbraw/zinc/18/54/89/175185489.db2.gz ILJAPFMCQKWPQI-ONGXEEELSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@@H]2[NH2+]CC[C@H]2C)c(OC)c1 ZINC000003733555 175185629 /nfs/dbraw/zinc/18/56/29/175185629.db2.gz BORQHNYEIKZWJK-NOZJJQNGSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@@](C)(O)C[NH2+]C(C)(C)C)cc1 ZINC000033466190 175186614 /nfs/dbraw/zinc/18/66/14/175186614.db2.gz UWZJVRCVACSLIL-AWEZNQCLSA-N 1 0 237.343 2.291 10 0 BEAERO COc1ccc([C@H]([NH3+])C(C)C)c(OC)c1 ZINC000019967697 175191270 /nfs/dbraw/zinc/19/12/70/175191270.db2.gz HIGQQLWERNLEAR-GFCCVEGCSA-N 1 0 209.289 2.360 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCOC2)cc1 ZINC000062230381 175192312 /nfs/dbraw/zinc/19/23/12/175192312.db2.gz QGLOXWWHWPUPAJ-YPMHNXCESA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccc([C@H]([NH2+][C@H](C)CO)C2CC2)cc1 ZINC000037258550 175193298 /nfs/dbraw/zinc/19/32/98/175193298.db2.gz ZXQFNVYXZDAWQK-QMTHXVAHSA-N 1 0 235.327 2.117 10 0 BEAERO COc1ccc([C@H](O)CC[NH2+]C2CC2)cc1C ZINC000049827548 175193467 /nfs/dbraw/zinc/19/34/67/175193467.db2.gz DMCLQWQHDAIOKA-CYBMUJFWSA-N 1 0 235.327 2.179 10 0 BEAERO COc1ccc([C@H]([C@@H](C)[NH3+])N(C)CC2CC2)cc1 ZINC000042961355 175193786 /nfs/dbraw/zinc/19/37/86/175193786.db2.gz VGMHVIJEUPNUDS-ABAIWWIYSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccc([C@H]2C[NH2+]C(C)(C)CO2)cc1 ZINC000011803229 175195652 /nfs/dbraw/zinc/19/56/52/175195652.db2.gz HVORQVGDKYCERE-GFCCVEGCSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccc([C@H]2CC[NH2+][C@@H]2C)cc1OC ZINC000051954013 175196132 /nfs/dbraw/zinc/19/61/32/175196132.db2.gz DNADNFBLEFNPMS-KOLCDFICSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H]2C[NH2+][C@H](C)C2)c(OC)c1 ZINC000070586520 175196380 /nfs/dbraw/zinc/19/63/80/175196380.db2.gz REVMKZOMMGPMQL-NXEZZACHSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C)C2)c(OC)c1 ZINC000083109979 175196926 /nfs/dbraw/zinc/19/69/26/175196926.db2.gz OLFPTIQCEKDFQX-WDEREUQCSA-N 1 0 235.327 2.417 10 0 BEAERO COc1ccc2[nH]c(SC[C@H](C)[NH3+])nc2c1 ZINC000075954839 175202429 /nfs/dbraw/zinc/20/24/29/175202429.db2.gz JZEHWXMTRCRCAB-ZETCQYMHSA-N 1 0 237.328 2.011 10 0 BEAERO COc1ccc2c(c1)C1(CCC1)C(=[NH2+])N2 ZINC000103244972 175206685 /nfs/dbraw/zinc/20/66/85/175206685.db2.gz UGDJPZPXULLPFP-UHFFFAOYSA-N 1 0 202.257 2.119 10 0 BEAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2C ZINC000071508636 175206818 /nfs/dbraw/zinc/20/68/18/175206818.db2.gz UXERRNWJAJPMEO-VIFPVBQESA-N 1 0 203.285 2.391 10 0 BEAERO COc1ccc2c(c1)CC[C@@H](n1ccnc1)[C@@H]2[NH3+] ZINC000019264108 175209554 /nfs/dbraw/zinc/20/95/54/175209554.db2.gz ZXNARMDEXQMJAQ-ZIAGYGMSSA-N 1 0 243.310 2.079 10 0 BEAERO COc1ccc2c(c1)CC[C@@H](n1cccn1)[C@@H]2[NH3+] ZINC000019270988 175209587 /nfs/dbraw/zinc/20/95/87/175209587.db2.gz COYSHJQTPLECRV-ZIAGYGMSSA-N 1 0 243.310 2.079 10 0 BEAERO COc1ccc2c(c1)[C@@H](CC[NH+](C)C)CN2 ZINC000027752656 175213671 /nfs/dbraw/zinc/21/36/71/175213671.db2.gz KLJAXTVFYKOOCM-JTQLQIEISA-N 1 0 220.316 2.156 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH3+])CC1(CCOCC1)O2 ZINC000075761558 175214704 /nfs/dbraw/zinc/21/47/04/175214704.db2.gz QFARJQXLHARJGQ-LBPRGKRZSA-N 1 0 249.310 2.027 10 0 BEAERO COc1ccc2c(c1)[C@H](C1CC1)[NH2+]CC2 ZINC000011598343 175215328 /nfs/dbraw/zinc/21/53/28/175215328.db2.gz DRWRBRIARXODTL-ZDUSSCGKSA-N 1 0 203.285 2.292 10 0 BEAERO COc1ccc2c(c1)[C@@H]1CC[C@@]([NH3+])(C1)C2 ZINC000027550605 175215535 /nfs/dbraw/zinc/21/55/35/175215535.db2.gz YRCNLROYXCCGJM-MFKMUULPSA-N 1 0 203.285 2.216 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H]1C)CC2 ZINC000134245454 175215853 /nfs/dbraw/zinc/21/58/53/175215853.db2.gz PNIDSFKZXZKTEI-VCTAVGKDSA-N 1 0 247.338 2.450 10 0 BEAERO COc1ccc2c(c1)[C@H]1CCC[NH2+][C@@H]1CC2 ZINC000034213052 175217071 /nfs/dbraw/zinc/21/70/71/175217071.db2.gz RBZIBEPPCSRMRU-TZMCWYRMSA-N 1 0 217.312 2.477 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H]1C)CC2 ZINC000134245490 175217137 /nfs/dbraw/zinc/21/71/37/175217137.db2.gz PNIDSFKZXZKTEI-WKPIXPDZSA-N 1 0 247.338 2.450 10 0 BEAERO COc1ccc2c(c1)nc(CC[NH3+])n2C(C)C ZINC000074297555 175218457 /nfs/dbraw/zinc/21/84/57/175218457.db2.gz QJNSURHMDMGILI-UHFFFAOYSA-N 1 0 233.315 2.127 10 0 BEAERO COc1ccc2c(c1)nc(CC[NH2+]C(C)C)n2C ZINC000074298036 175218630 /nfs/dbraw/zinc/21/86/30/175218630.db2.gz KQGSLYIHGUPSPE-UHFFFAOYSA-N 1 0 247.342 2.122 10 0 BEAERO COc1ccc2c(c1)nc([C@H]([NH3+])C(C)C)n2C ZINC000075854250 175219919 /nfs/dbraw/zinc/21/99/19/175219919.db2.gz WHANWLKSPWMCBJ-GFCCVEGCSA-N 1 0 233.315 2.238 10 0 BEAERO COc1ccc2c(ccn2CC[NH+](C)C)c1 ZINC000013586847 175222821 /nfs/dbraw/zinc/22/28/21/175222821.db2.gz HRCTXPIFQNOZCQ-UHFFFAOYSA-N 1 0 218.300 2.212 10 0 BEAERO COc1ccc2c(c1OC)[C@@H](C)[N@@H+](C)CC2 ZINC000014723342 175222960 /nfs/dbraw/zinc/22/29/60/175222960.db2.gz PTJFNGNDALZPKH-SECBINFHSA-N 1 0 221.300 2.253 10 0 BEAERO COc1ccc2[nH]c(S[C@H](C)C[NH3+])nc2c1 ZINC000043514680 175228889 /nfs/dbraw/zinc/22/88/89/175228889.db2.gz RCQXUONOCBTVKS-SSDOTTSWSA-N 1 0 237.328 2.011 10 0 BEAERO COc1ccc2nc(C[C@H](C)[NH3+])sc2c1 ZINC000045236771 175228896 /nfs/dbraw/zinc/22/88/96/175228896.db2.gz CSNBRFPRLGVWIB-ZETCQYMHSA-N 1 0 222.313 2.195 10 0 BEAERO COc1ccc2oc(C3(C[NH3+])CCC3)nc2c1 ZINC000083076531 175231488 /nfs/dbraw/zinc/23/14/88/175231488.db2.gz LFXXZAZKGOPICK-UHFFFAOYSA-N 1 0 232.283 2.217 10 0 BEAERO COc1ccc2oc([C@]3(C)CCC[NH2+]3)nc2c1 ZINC000083076524 175231845 /nfs/dbraw/zinc/23/18/45/175231845.db2.gz OSANWXKQAARZBB-ZDUSSCGKSA-N 1 0 232.283 2.435 10 0 BEAERO COc1ccc2oc([C@H]3CCC[NH2+]3)nc2c1 ZINC000062526908 175232365 /nfs/dbraw/zinc/23/23/65/175232365.db2.gz IPZIGCCBKPYMOO-SECBINFHSA-N 1 0 218.256 2.261 10 0 BEAERO COc1ccc2sc([C@H](C)[NH3+])nc2c1 ZINC000074174274 175232406 /nfs/dbraw/zinc/23/24/06/175232406.db2.gz GFORNNHKFRCYLP-LURJTMIESA-N 1 0 208.286 2.325 10 0 BEAERO COc1cccc(-c2ccc(C[NH3+])cn2)c1 ZINC000096094094 175234427 /nfs/dbraw/zinc/23/44/27/175234427.db2.gz GGVXMTCZVXTJQC-UHFFFAOYSA-N 1 0 214.268 2.216 10 0 BEAERO COc1cccc(-c2n[nH]c3c2C[N@H+](C)CC3)c1 ZINC000082807635 175236392 /nfs/dbraw/zinc/23/63/92/175236392.db2.gz NSMFKLPKTIKWNL-UHFFFAOYSA-N 1 0 243.310 2.073 10 0 BEAERO COc1cccc(C(=O)CC[NH2+]C2CC2)c1 ZINC000049817164 175242404 /nfs/dbraw/zinc/24/24/04/175242404.db2.gz AGEAUAJKJWUICW-UHFFFAOYSA-N 1 0 219.284 2.020 10 0 BEAERO COc1cccc(C(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000071522938 175247005 /nfs/dbraw/zinc/24/70/05/175247005.db2.gz IMSFYWQPQOKYPC-LBPRGKRZSA-N 1 0 221.300 2.251 10 0 BEAERO COc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000077204293 175264040 /nfs/dbraw/zinc/26/40/40/175264040.db2.gz WLYYUJZYDYYCRN-ZFWWWQNUSA-N 1 0 249.354 2.336 10 0 BEAERO COc1cccc(C[NH2+]Cc2ccc[nH]2)c1 ZINC000048436101 175265478 /nfs/dbraw/zinc/26/54/78/175265478.db2.gz SAWYEEJSXLMQHR-UHFFFAOYSA-N 1 0 216.284 2.313 10 0 BEAERO COc1cccc(C[C@@H](C)[NH3+])c1OCC(F)F ZINC000037756463 175270592 /nfs/dbraw/zinc/27/05/92/175270592.db2.gz OPUDVVTWAQOBFD-MRVPVSSYSA-N 1 0 245.269 2.229 10 0 BEAERO COc1cccc(C[C@@H]([NH3+])c2ccnc(C)n2)c1 ZINC000096986406 175271520 /nfs/dbraw/zinc/27/15/20/175271520.db2.gz JVUGSZUMXSZXEX-CYBMUJFWSA-N 1 0 243.310 2.036 10 0 BEAERO COc1cccc(C[C@H]([NH3+])CC2CCOCC2)c1 ZINC000053831238 175272484 /nfs/dbraw/zinc/27/24/84/175272484.db2.gz CPLMBQWWFGDLBX-CQSZACIVSA-N 1 0 249.354 2.382 10 0 BEAERO COc1cccc(N(C)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000062948981 175274994 /nfs/dbraw/zinc/27/49/94/175274994.db2.gz XUXFTDSEZFFQPC-AAEUAGOBSA-N 1 0 234.343 2.272 10 0 BEAERO COc1cccc(N(C)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000049969196 175275349 /nfs/dbraw/zinc/27/53/49/175275349.db2.gz WRIPZCJOWNOOET-STQMWFEESA-N 1 0 220.316 2.011 10 0 BEAERO COc1cccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000019511018 175277647 /nfs/dbraw/zinc/27/76/47/175277647.db2.gz WSSUKRIIZLMRHS-MFKMUULPSA-N 1 0 248.326 2.164 10 0 BEAERO COc1cccc(NCCC[NH+](C)C)c1 ZINC000041217975 175277789 /nfs/dbraw/zinc/27/77/89/175277789.db2.gz ZDISKWUREFAXOV-UHFFFAOYSA-N 1 0 208.305 2.059 10 0 BEAERO COc1cccc(OC2CCC([NH3+])CC2)c1 ZINC000055143971 175282881 /nfs/dbraw/zinc/28/28/81/175282881.db2.gz PIRRQNKQGFDKHP-UHFFFAOYSA-N 1 0 221.300 2.344 10 0 BEAERO COc1cccc(OCC[NH2+][C@@H](C)C2CC2)c1 ZINC000053565662 175283229 /nfs/dbraw/zinc/28/32/29/175283229.db2.gz KIXUEIYGCHDSNT-NSHDSACASA-N 1 0 235.327 2.462 10 0 BEAERO COc1cccc(OCC[NH2+]C(C)C)c1 ZINC000020525147 175283386 /nfs/dbraw/zinc/28/33/86/175283386.db2.gz GYBKGXIRFSMCQD-UHFFFAOYSA-N 1 0 209.289 2.072 10 0 BEAERO COc1cccc(OC[C@@H](C)CC[NH3+])c1 ZINC000076584706 175283805 /nfs/dbraw/zinc/28/38/05/175283805.db2.gz FGKPRQXHSMUZRC-JTQLQIEISA-N 1 0 209.289 2.059 10 0 BEAERO COc1cccc(OC[C@@H](C[NH3+])c2ccc[nH]2)c1 ZINC000076631352 175284331 /nfs/dbraw/zinc/28/43/31/175284331.db2.gz YNBPUNIUZYFDMR-LLVKDONJSA-N 1 0 246.310 2.145 10 0 BEAERO COc1cccc(Oc2ccc(C[NH3+])cc2)n1 ZINC000104109449 175284792 /nfs/dbraw/zinc/28/47/92/175284792.db2.gz GFSLXPOONDJQGR-UHFFFAOYSA-N 1 0 230.267 2.341 10 0 BEAERO COc1cccc([C@@H](C)[NH2+]CCN(C)C2CC2)c1 ZINC000061992746 175286228 /nfs/dbraw/zinc/28/62/28/175286228.db2.gz UIGRDFXFKGNHAB-GFCCVEGCSA-N 1 0 248.370 2.440 10 0 BEAERO COc1cccc([C@@H](C[NH3+])C(F)(F)F)c1 ZINC000082719061 175287631 /nfs/dbraw/zinc/28/76/31/175287631.db2.gz LIUNIQLWIXSNHF-SECBINFHSA-N 1 0 219.206 2.300 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2cccn2C)c1 ZINC000011848701 175288635 /nfs/dbraw/zinc/28/86/35/175288635.db2.gz ODKJAZLAOBDMHB-CYBMUJFWSA-N 1 0 216.284 2.082 10 0 BEAERO COc1cccc([C@@H]2C[NH2+]C(C)(C)CO2)c1 ZINC000011803224 175290443 /nfs/dbraw/zinc/29/04/43/175290443.db2.gz FWXVHDIDKUFLFP-LBPRGKRZSA-N 1 0 221.300 2.135 10 0 BEAERO COc1cccc([C@@H]2C[NH2+]C[C@@H](C)C2)c1OC ZINC000083109983 175291178 /nfs/dbraw/zinc/29/11/78/175291178.db2.gz XWWLGEZPALXKDO-QWRGUYRKSA-N 1 0 235.327 2.417 10 0 BEAERO COc1cccc([C@H](C[NH3+])N2CC[C@H](C)C2)c1 ZINC000040717495 175294021 /nfs/dbraw/zinc/29/40/21/175294021.db2.gz ZOELWTMJKQLPRC-FZMZJTMJSA-N 1 0 234.343 2.037 10 0 BEAERO COc1cccc([C@H](O)[C@H](C)[NH2+]C(C)C)c1 ZINC000071525197 175294730 /nfs/dbraw/zinc/29/47/30/175294730.db2.gz ZFVOVOWAFUQXIL-GXFFZTMASA-N 1 0 223.316 2.115 10 0 BEAERO COc1cccc([C@H]([NH3+])[C@@H]2CCCOC2)c1 ZINC000082364247 175294877 /nfs/dbraw/zinc/29/48/77/175294877.db2.gz OTSLTZKQNJDQCB-YPMHNXCESA-N 1 0 221.300 2.122 10 0 BEAERO COc1cccc([C@H]([NH3+])c2cnccc2C)c1 ZINC000082350581 175294907 /nfs/dbraw/zinc/29/49/07/175294907.db2.gz RQSLOJUFIRQQQZ-AWEZNQCLSA-N 1 0 228.295 2.447 10 0 BEAERO COc1cccc([C@H]([C@H](C)[NH3+])N2CCCC2)c1 ZINC000043025404 175295883 /nfs/dbraw/zinc/29/58/83/175295883.db2.gz NUYDEGMHCVTPIO-FZMZJTMJSA-N 1 0 234.343 2.179 10 0 BEAERO COc1cccc([C@H]([C@H](C)[NH3+])N(C)C2CC2)c1 ZINC000043026198 175296091 /nfs/dbraw/zinc/29/60/91/175296091.db2.gz NXTLNWWUAFRGCE-HZMBPMFUSA-N 1 0 234.343 2.178 10 0 BEAERO COc1cccc([C@H]2C[N@@H+](C(C)C)CCN2)c1 ZINC000077369942 175296205 /nfs/dbraw/zinc/29/62/05/175296205.db2.gz JVGAJYDBWLHABG-CQSZACIVSA-N 1 0 234.343 2.050 10 0 BEAERO COc1cccc([C@H]([C@H](C)[NH3+])n2cc(C)cn2)c1 ZINC000043028870 175296240 /nfs/dbraw/zinc/29/62/40/175296240.db2.gz YZZQIYSXKNHZKC-FZMZJTMJSA-N 1 0 245.326 2.137 10 0 BEAERO COc1cccc2c1CCC1(CC[NH2+]CC1)O2 ZINC000036141553 175301438 /nfs/dbraw/zinc/30/14/38/175301438.db2.gz MDAZMQRQZVXAAY-UHFFFAOYSA-N 1 0 233.311 2.142 10 0 BEAERO COc1cccc2c1[C@H]1CCC[NH2+][C@@H]1CC2 ZINC000082286335 175305588 /nfs/dbraw/zinc/30/55/88/175305588.db2.gz BTORUPLYSBZCQJ-NWDGAFQWSA-N 1 0 217.312 2.477 10 0 BEAERO COc1cccc2c1[C@@H]1CCC[NH2+][C@@H]1CC2 ZINC000082286333 175306050 /nfs/dbraw/zinc/30/60/50/175306050.db2.gz BTORUPLYSBZCQJ-VXGBXAGGSA-N 1 0 217.312 2.477 10 0 BEAERO COc1cccc2ccc(C[C@@H](C)[NH3+])nc21 ZINC000062572188 175307135 /nfs/dbraw/zinc/30/71/35/175307135.db2.gz GJQJPRMXTPXACE-SECBINFHSA-N 1 0 216.284 2.133 10 0 BEAERO COc1ccccc1-c1cccc(C(N)=[NH2+])n1 ZINC000071186728 175309672 /nfs/dbraw/zinc/30/96/72/175309672.db2.gz USGGIJRJRNSKJV-UHFFFAOYSA-N 1 0 227.267 2.041 10 0 BEAERO COc1ccccc1CC[C@@H]1COC[C@@H](C)[NH2+]1 ZINC000071545503 175323180 /nfs/dbraw/zinc/32/31/80/175323180.db2.gz PTYIHTQDBBCHKQ-DGCLKSJQSA-N 1 0 235.327 2.005 10 0 BEAERO COc1ccccc1CCn1cccc1CC[NH3+] ZINC000071559147 175325241 /nfs/dbraw/zinc/32/52/41/175325241.db2.gz XGSSARSBFXLICX-UHFFFAOYSA-N 1 0 244.338 2.241 10 0 BEAERO COc1ccccc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000036102851 175326051 /nfs/dbraw/zinc/32/60/51/175326051.db2.gz YCIREIJVARIFSF-GFCCVEGCSA-N 1 0 237.343 2.286 10 0 BEAERO COc1ccccc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000226279763 175326396 /nfs/dbraw/zinc/32/63/96/175326396.db2.gz YRZGTTZBANNEMK-CHWSQXEVSA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccccc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000294930698 175327390 /nfs/dbraw/zinc/32/73/90/175327390.db2.gz GFJMSGGDEGSOQI-AAEUAGOBSA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccccc1CNC1=[NH+][C@H](C)CS1 ZINC000035294395 175329424 /nfs/dbraw/zinc/32/94/24/175329424.db2.gz GVIUATJDCOTHIT-SECBINFHSA-N 1 0 236.340 2.276 10 0 BEAERO COc1ccccc1C[C@@](C)(C[NH3+])N(C)C1CC1 ZINC000037734898 175332399 /nfs/dbraw/zinc/33/23/99/175332399.db2.gz MDEBHFMKLOXHCC-HNNXBMFYSA-N 1 0 248.370 2.049 10 0 BEAERO COc1ccccc1C[C@H]1C[NH2+][C@@H](C)C1 ZINC000082930999 175333654 /nfs/dbraw/zinc/33/36/54/175333654.db2.gz CFZUYQMPCUZSOX-QWRGUYRKSA-N 1 0 205.301 2.236 10 0 BEAERO COc1ccccc1C[C@H]1C[NH2+][C@H](C)C1 ZINC000082930998 175333926 /nfs/dbraw/zinc/33/39/26/175333926.db2.gz CFZUYQMPCUZSOX-MNOVXSKESA-N 1 0 205.301 2.236 10 0 BEAERO COc1ccccc1Cn1cccc1CC[NH3+] ZINC000071534751 175335173 /nfs/dbraw/zinc/33/51/73/175335173.db2.gz YUDZJHSGWOPVSP-UHFFFAOYSA-N 1 0 230.311 2.046 10 0 BEAERO COc1ccccc1N1CCC[NH2+]C[C@@H](C)C1 ZINC000049663107 175335957 /nfs/dbraw/zinc/33/59/57/175335957.db2.gz IVVSGTDBVIKPFJ-GFCCVEGCSA-N 1 0 234.343 2.131 10 0 BEAERO COc1ccccc1N(C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000049966571 175336236 /nfs/dbraw/zinc/33/62/36/175336236.db2.gz JCSSMTASEKDVJH-WDEREUQCSA-N 1 0 220.316 2.011 10 0 BEAERO COc1ccccc1OCCC(C)(C)[NH3+] ZINC000020398722 175340665 /nfs/dbraw/zinc/34/06/65/175340665.db2.gz XMQCSMSUEMBORM-UHFFFAOYSA-N 1 0 209.289 2.201 10 0 BEAERO COc1ccccc1Oc1ccc(C[NH3+])cn1 ZINC000022178162 175343029 /nfs/dbraw/zinc/34/30/29/175343029.db2.gz ADBMWNDZVRANHR-UHFFFAOYSA-N 1 0 230.267 2.341 10 0 BEAERO COc1ccccc1[C@@H](N)C[NH+]1CCCCC1 ZINC000023066660 175347340 /nfs/dbraw/zinc/34/73/40/175347340.db2.gz CSYGAOTYBWQVHO-ZDUSSCGKSA-N 1 0 234.343 2.181 10 0 BEAERO COc1ccccc1[C@@H]1C[NH2+]C(C)(C)CO1 ZINC000011803220 175349153 /nfs/dbraw/zinc/34/91/53/175349153.db2.gz DELZORBSUKCZJJ-LBPRGKRZSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccccc1[C@@H]1CSCC[NH2+]1 ZINC000041218913 175349171 /nfs/dbraw/zinc/34/91/71/175349171.db2.gz XDPKROPREPVSAB-JTQLQIEISA-N 1 0 209.314 2.073 10 0 BEAERO COc1ccccc1[C@@H]1Cc2n[nH]cc2[C@H]([NH3+])C1 ZINC000072415364 175350407 /nfs/dbraw/zinc/35/04/07/175350407.db2.gz ICDZRVFYHXWMQG-JOYOIKCWSA-N 1 0 243.310 2.148 10 0 BEAERO COc1ccccc1[C@H]([C@H](C)[NH3+])N1CCCC1 ZINC000043096596 175354297 /nfs/dbraw/zinc/35/42/97/175354297.db2.gz NDMSVXBADPAGEN-FZMZJTMJSA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccccc1[C@H]1C[NH2+]CCN1C(C)C ZINC000077369924 175355473 /nfs/dbraw/zinc/35/54/73/175355473.db2.gz ZKWFBHXEHCYSET-CYBMUJFWSA-N 1 0 234.343 2.050 10 0 BEAERO COc1ccccc1[C@](C)([NH3+])c1cncc(F)c1 ZINC000049576015 175356128 /nfs/dbraw/zinc/35/61/28/175356128.db2.gz UQXBTTQSESSPEF-CQSZACIVSA-N 1 0 246.285 2.452 10 0 BEAERO CSCCCC[NH2+]Cc1ccn(C)c1 ZINC000125694867 175476363 /nfs/dbraw/zinc/47/63/63/175476363.db2.gz ICTCMAPWNDTKPB-UHFFFAOYSA-N 1 0 212.362 2.258 10 0 BEAERO CSC[C@H]([NH3+])Cc1ccc(F)cc1F ZINC000054495123 175526831 /nfs/dbraw/zinc/52/68/31/175526831.db2.gz CSDLWBZNGGEAGJ-SECBINFHSA-N 1 0 217.284 2.198 10 0 BEAERO CS[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1[NH3+] ZINC000003976504 175571061 /nfs/dbraw/zinc/57/10/61/175571061.db2.gz YNJHXPKZSMEYTQ-NWDGAFQWSA-N 1 0 237.368 2.285 10 0 BEAERO C[C@@H](C1CC1)N(C)c1ccc(Cl)c(C[NH3+])n1 ZINC000051396946 175634472 /nfs/dbraw/zinc/63/44/72/175634472.db2.gz UQXLNMOZBHLGHV-QMMMGPOBSA-N 1 0 239.750 2.428 10 0 BEAERO C[C@@H](CCCC[NH3+])Nc1ncncc1Cl ZINC000336692025 175664594 /nfs/dbraw/zinc/66/45/94/175664594.db2.gz MXAMLMCNQQOJMA-QMMMGPOBSA-N 1 0 228.727 2.059 10 0 BEAERO C[C@@H](C[NH3+])CC(=O)Nc1cccc(Cl)c1 ZINC000076612484 175706073 /nfs/dbraw/zinc/70/60/73/175706073.db2.gz LLBYQYDIQZYHGC-MRVPVSSYSA-N 1 0 226.707 2.263 10 0 BEAERO C[C@@H](C[NH2+]C1CCCCC1)N1CCSCC1 ZINC000053488908 175730886 /nfs/dbraw/zinc/73/08/86/175730886.db2.gz YSTRJMFWMAITFN-LBPRGKRZSA-N 1 0 242.432 2.346 10 0 BEAERO C[C@@H]([NH3+])Cc1ccsc1Br ZINC000083303992 175807526 /nfs/dbraw/zinc/80/75/26/175807526.db2.gz GMJOCFSMMZLGAL-RXMQYKEDSA-N 1 0 220.135 2.400 10 0 BEAERO C[C@@H]([NH3+])Cc1csc(N2CCCCCC2)n1 ZINC000028509785 175808159 /nfs/dbraw/zinc/80/81/59/175808159.db2.gz HBFKETDSMXVFIJ-SNVBAGLBSA-N 1 0 239.388 2.413 10 0 BEAERO C[C@@H]([NH3+])[C@@H](C)Oc1cccc2cccnc21 ZINC000041054123 175809626 /nfs/dbraw/zinc/80/96/26/175809626.db2.gz GXTMFRPKOFPKLW-NXEZZACHSA-N 1 0 216.284 2.349 10 0 BEAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC000042947256 175809714 /nfs/dbraw/zinc/80/97/14/175809714.db2.gz RILCNHIRJVDURP-SKDRFNHKSA-N 1 0 235.718 2.473 10 0 BEAERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NC1CC1 ZINC000035138585 175921079 /nfs/dbraw/zinc/92/10/79/175921079.db2.gz VPZZWQRHJIPXLS-RKDXNWHRSA-N 1 0 238.356 2.066 10 0 BEAERO C[C@@H](OCCC[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068665 176002151 /nfs/dbraw/zinc/00/21/51/176002151.db2.gz KYXOMBJKPUAZNJ-OLZOCXBDSA-N 1 0 249.358 2.334 10 0 BEAERO C[C@@H](OC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000051890564 176003158 /nfs/dbraw/zinc/00/31/58/176003158.db2.gz CRLTUXRZHXWOOZ-VXGBXAGGSA-N 1 0 205.301 2.374 10 0 BEAERO C[C@@H](OC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000051890568 176003410 /nfs/dbraw/zinc/00/34/10/176003410.db2.gz CRLTUXRZHXWOOZ-NEPJUHHUSA-N 1 0 205.301 2.374 10 0 BEAERO C[C@@H](Oc1ccccc1C1CC1)C1=[NH+]CCN1 ZINC000064393121 176006001 /nfs/dbraw/zinc/00/60/01/176006001.db2.gz QYCJTZDZQXSXSC-SNVBAGLBSA-N 1 0 230.311 2.333 10 0 BEAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)n1ccnc1 ZINC000023070820 176011650 /nfs/dbraw/zinc/01/16/50/176011650.db2.gz DCHONAQTARXODU-CMPLNLGQSA-N 1 0 201.273 2.144 10 0 BEAERO C[C@@H]([C@H](O)c1ccccc1)[N@@H+]1CCCO[C@H](C)C1 ZINC000061932773 176012512 /nfs/dbraw/zinc/01/25/12/176012512.db2.gz ZJERXGPXQQUWGO-IPYPFGDCSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@@H](c1ccc(Cl)s1)N1C[C@H]([NH3+])CC1=O ZINC000042593116 176014251 /nfs/dbraw/zinc/01/42/51/176014251.db2.gz NBTWLIRMEMQKKE-NKWVEPMBSA-N 1 0 244.747 2.022 10 0 BEAERO C[C@@H](c1ccc(Cl)cc1)N(C)C1C[NH2+]C1 ZINC000062014419 176014469 /nfs/dbraw/zinc/01/44/69/176014469.db2.gz UHRYNAYPCYETGA-VIFPVBQESA-N 1 0 224.735 2.305 10 0 BEAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCCOCC1 ZINC000061914061 176015640 /nfs/dbraw/zinc/01/56/40/176015640.db2.gz ZNRUWZFLFSQIQU-NSHDSACASA-N 1 0 220.316 2.052 10 0 BEAERO C[C@H](c1nnc(CCC[NH3+])o1)c1ccccc1 ZINC000083358254 176023700 /nfs/dbraw/zinc/02/37/00/176023700.db2.gz KKQGAOCZQYCDSV-JTQLQIEISA-N 1 0 231.299 2.113 10 0 BEAERO C[C@H](c1[nH+]cn(C)c1N)c1ccccc1 ZINC000104902236 176024076 /nfs/dbraw/zinc/02/40/76/176024076.db2.gz RXKPFWNYRGTHFD-VIFPVBQESA-N 1 0 201.273 2.154 10 0 BEAERO C[C@@H](c1ccccc1F)N(C)[C@@H]1CC[NH2+]C1 ZINC000062014535 176025585 /nfs/dbraw/zinc/02/55/85/176025585.db2.gz NZQNEDZDHWEDIO-WDEREUQCSA-N 1 0 222.307 2.180 10 0 BEAERO C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100248611 176032777 /nfs/dbraw/zinc/03/27/77/176032777.db2.gz NCWYDXBZXZRAQK-WDEREUQCSA-N 1 0 209.289 2.045 10 0 BEAERO C[C@@H](c1cccs1)N1CCC[NH2+]CC1 ZINC000022108902 176034028 /nfs/dbraw/zinc/03/40/28/176034028.db2.gz VBBCBPZPSYXWIH-JTQLQIEISA-N 1 0 210.346 2.104 10 0 BEAERO C[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCOCC2(C)C)C1 ZINC000053929950 176060976 /nfs/dbraw/zinc/06/09/76/176060976.db2.gz GUKIQYXEPATGTN-VXGBXAGGSA-N 1 0 239.359 2.103 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CCNCc1ccco1 ZINC000048326819 176070267 /nfs/dbraw/zinc/07/02/67/176070267.db2.gz CBSLLBUIYTZLIE-GFCCVEGCSA-N 1 0 222.332 2.244 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1[C@@H](CN)C1CCCC1 ZINC000050272029 176075075 /nfs/dbraw/zinc/07/50/75/176075075.db2.gz YFNZHVCWNYYCPO-YPMHNXCESA-N 1 0 210.365 2.378 10 0 BEAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1O ZINC000042861863 176077908 /nfs/dbraw/zinc/07/79/08/176077908.db2.gz SSGRHWYXAIWYAN-LPWJVIDDSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCCC[C@@H]1N(C)c1cc(C(N)=[NH2+])ccn1 ZINC000042607909 176078928 /nfs/dbraw/zinc/07/89/28/176078928.db2.gz IZTSQNGURFDSLD-PWSUYJOCSA-N 1 0 246.358 2.381 10 0 BEAERO C[C@@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1ccncc1 ZINC000036775726 176083239 /nfs/dbraw/zinc/08/32/39/176083239.db2.gz ZZDBJKTZMIKCAJ-HIFRSBDPSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCCC[C@@]1(CN)[N@H+](C)CC1CC1 ZINC000037925262 176083548 /nfs/dbraw/zinc/08/35/48/176083548.db2.gz COXGYQIZLJDOFG-YPMHNXCESA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1CCCC[C@@]1([NH2+]Cc1ccccc1)C(N)=O ZINC000037941226 176083725 /nfs/dbraw/zinc/08/37/25/176083725.db2.gz PTJVKHBUKUARNV-DOMZBBRYSA-N 1 0 246.354 2.210 10 0 BEAERO C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CCCC1 ZINC000037388759 176086982 /nfs/dbraw/zinc/08/69/82/176086982.db2.gz RSCDHOLASDWMMI-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCCC[C@H]1OC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062871071 176089665 /nfs/dbraw/zinc/08/96/65/176089665.db2.gz OJZIBZYGQYRKEE-YRGRVCCFSA-N 1 0 239.359 2.498 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])[C@@H]2C)C1 ZINC000055122577 176093653 /nfs/dbraw/zinc/09/36/53/176093653.db2.gz LRCAEIIMIMAQTD-LPWJVIDDSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@@H]1CCCN(C(=O)c2cccc(CC[NH3+])c2)C1 ZINC000053661550 176095250 /nfs/dbraw/zinc/09/52/50/176095250.db2.gz YJPOQHIBOVFUSD-GFCCVEGCSA-N 1 0 246.354 2.060 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037910219 176110140 /nfs/dbraw/zinc/11/01/40/176110140.db2.gz LSAZRZVADYMZJG-RNCFNFMXSA-N 1 0 240.297 2.449 10 0 BEAERO C[C@@H]1CCC[N@@H+]1[C@@H](CN)C1CCCCC1 ZINC000037910317 176110674 /nfs/dbraw/zinc/11/06/74/176110674.db2.gz XUXBGIXZZHRACH-YPMHNXCESA-N 1 0 210.365 2.378 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3C2)[NH2+]1 ZINC000050912608 176112339 /nfs/dbraw/zinc/11/23/39/176112339.db2.gz WMRUMDZKXGIQII-RISCZKNCSA-N 1 0 244.338 2.059 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)N(C)c2ccccc2)[NH2+]1 ZINC000019480169 176112671 /nfs/dbraw/zinc/11/26/71/176112671.db2.gz RSCSVPBVYQWVLN-YPMHNXCESA-N 1 0 232.327 2.180 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2)[NH2+]1 ZINC000019431489 176113911 /nfs/dbraw/zinc/11/39/11/176113911.db2.gz AXBDMGYMFZZUTQ-SKDRFNHKSA-N 1 0 236.290 2.295 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)[C@@H]1C ZINC000126584248 176123225 /nfs/dbraw/zinc/12/32/25/176123225.db2.gz WATPWKAOBREJHG-JHJVBQTASA-N 1 0 236.363 2.083 10 0 BEAERO C[C@@H]1CCC[C@@H](c2ncc(C[NH3+])cn2)C1 ZINC000054855304 176126318 /nfs/dbraw/zinc/12/63/18/176126318.db2.gz IRMNLMIQENOPMT-MWLCHTKSSA-N 1 0 205.305 2.229 10 0 BEAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1ccc2c(c1)OCO2 ZINC000077366238 176133565 /nfs/dbraw/zinc/13/35/65/176133565.db2.gz SZQNVOXIHLIZHF-YGRLFVJLSA-N 1 0 233.311 2.432 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)NCCC2CCCC2)[NH2+]1 ZINC000037741556 176135525 /nfs/dbraw/zinc/13/55/25/176135525.db2.gz MHUPBVDKBLZGHY-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000120514817 176135598 /nfs/dbraw/zinc/13/55/98/176135598.db2.gz DUKUEAQWZXREPT-AGIUHOORSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)Cc2nnsc2N)C1 ZINC000050815455 176140394 /nfs/dbraw/zinc/14/03/94/176140394.db2.gz BOAUKDHGUFTXDG-BDAKNGLRSA-N 1 0 240.376 2.131 10 0 BEAERO C[C@@H]1CCC[C@H]([NH2+]CCn2ccc(=O)cc2)C1 ZINC000061628617 176144663 /nfs/dbraw/zinc/14/46/63/176144663.db2.gz QXGQLPAAUNKHTP-OLZOCXBDSA-N 1 0 234.343 2.017 10 0 BEAERO C[C@@H]1CCC[C@H](Oc2ncccc2C(N)=[NH2+])C1 ZINC000036915120 176146431 /nfs/dbraw/zinc/14/64/31/176146431.db2.gz BYDRCNREEBDIFJ-ZJUUUORDSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@@H]1CCC[C@](CN)([N@@H+]2CCCSCC2)C1 ZINC000042443558 176151072 /nfs/dbraw/zinc/15/10/72/176151072.db2.gz ZQURSAWNDIIHRF-OLZOCXBDSA-N 1 0 242.432 2.333 10 0 BEAERO C[C@@H]1CCN(C(=O)CC2CCC(C[NH3+])CC2)C1 ZINC000104123339 176154405 /nfs/dbraw/zinc/15/44/05/176154405.db2.gz SLCOUPNDJVFRNR-PNESKVBLSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1CC[N@H+](CCNCc2ccccn2)[C@H](C)C1 ZINC000053387134 176171370 /nfs/dbraw/zinc/17/13/70/176171370.db2.gz XFHSNPLKATUDMH-ZIAGYGMSSA-N 1 0 247.386 2.292 10 0 BEAERO C[C@@H]1CCN(Cc2cccc(F)c2)CC[NH2+]1 ZINC000049661835 176176328 /nfs/dbraw/zinc/17/63/28/176176328.db2.gz QGQCWLYOFSCTDO-LLVKDONJSA-N 1 0 222.307 2.010 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)[C@@H]1C ZINC000305780625 176180045 /nfs/dbraw/zinc/18/00/45/176180045.db2.gz OGTRPERLIVLFHB-YIKOMLBNSA-N 1 0 231.339 2.375 10 0 BEAERO C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)[C@@H]1C ZINC000305780624 176180076 /nfs/dbraw/zinc/18/00/76/176180076.db2.gz OGTRPERLIVLFHB-FKGLVLAHSA-N 1 0 231.339 2.375 10 0 BEAERO C[C@@H]1CCN(c2c(F)cccc2F)CC[NH2+]1 ZINC000049661855 176181048 /nfs/dbraw/zinc/18/10/48/176181048.db2.gz QJVBOYHPKGQZJV-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO C[C@@H]1CCN(c2ccc(F)cc2)CC[NH2+]1 ZINC000049661382 176181400 /nfs/dbraw/zinc/18/14/00/176181400.db2.gz XIRYRNZQHZVAPN-SNVBAGLBSA-N 1 0 208.280 2.014 10 0 BEAERO C[C@@H]1CCN(c2cccc(F)c2)CCC[NH2+]1 ZINC000049662816 176181451 /nfs/dbraw/zinc/18/14/51/176181451.db2.gz JPSPEDBQPXFZGH-LLVKDONJSA-N 1 0 222.307 2.404 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)NCC2(C)CCCC2)C[NH2+]1 ZINC000104430833 176220541 /nfs/dbraw/zinc/22/05/41/176220541.db2.gz IXUVSPVZRLBZPX-NEPJUHHUSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](C)N1Cc1ccccc1 ZINC000169616765 176228708 /nfs/dbraw/zinc/22/87/08/176228708.db2.gz ULXWOSFIBHNQLH-BZPMIXESSA-N 1 0 218.344 2.387 10 0 BEAERO C[C@@H]1CC[C@H]([NH3+])[C@H](N(C)CCc2ccncc2)C1 ZINC000048259971 176228968 /nfs/dbraw/zinc/22/89/68/176228968.db2.gz VVCKZKSTBMHRHR-VHDGCEQUSA-N 1 0 247.386 2.072 10 0 BEAERO C[C@@H]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059490 176239976 /nfs/dbraw/zinc/23/99/76/176239976.db2.gz VIRRXVRMQCLLSN-SSDOTTSWSA-N 1 0 210.346 2.462 10 0 BEAERO C[C@@H]1CCc2nc(C3([NH3+])CC3)sc2C1 ZINC000083345583 176240245 /nfs/dbraw/zinc/24/02/45/176240245.db2.gz ZWCBFTAFUZYUDL-SSDOTTSWSA-N 1 0 208.330 2.216 10 0 BEAERO C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000358091779 176278048 /nfs/dbraw/zinc/27/80/48/176278048.db2.gz VWIROWHZCDCPTK-KWCYVHTRSA-N 1 0 246.354 2.050 10 0 BEAERO C[C@@H]1CN(CCOc2ccccc2)C(C)(C)C[NH2+]1 ZINC000062623348 176292010 /nfs/dbraw/zinc/29/20/10/176292010.db2.gz LTCMVVJCSRPXOM-CYBMUJFWSA-N 1 0 248.370 2.138 10 0 BEAERO C[C@@H]1C[NH+](Cc2cccc3c2NCC3)C[C@@H](C)O1 ZINC000130464283 176306314 /nfs/dbraw/zinc/30/63/14/176306314.db2.gz USNYHOKYPURHIL-VXGBXAGGSA-N 1 0 246.354 2.264 10 0 BEAERO C[C@@H]1C[N@@H+]([C@H]2CNc3ccccc3C2)CCCO1 ZINC000061919027 176318241 /nfs/dbraw/zinc/31/82/41/176318241.db2.gz MJEGTJRZDLVVDW-TZMCWYRMSA-N 1 0 246.354 2.134 10 0 BEAERO C[C@@H]1C[N@@H+]([C@H]2CNc3ccccc3C2)[C@H](C)CO1 ZINC000037761130 176318411 /nfs/dbraw/zinc/31/84/11/176318411.db2.gz PAPGPRNYPJDXRF-YRGRVCCFSA-N 1 0 246.354 2.132 10 0 BEAERO C[C@@H]1C[NH+]=C(NCCc2cccs2)S1 ZINC000035294985 176323784 /nfs/dbraw/zinc/32/37/84/176323784.db2.gz AMKFCDMSCVBMJB-MRVPVSSYSA-N 1 0 226.370 2.372 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1 ZINC000247516164 176324278 /nfs/dbraw/zinc/32/42/78/176324278.db2.gz WHGZXGFIICZOAB-DOMZBBRYSA-N 1 0 248.345 2.494 10 0 BEAERO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000118760117 176341309 /nfs/dbraw/zinc/34/13/09/176341309.db2.gz UAIXEOIQIOOYES-YPMHNXCESA-N 1 0 205.301 2.201 10 0 BEAERO C[C@@H](NC1=[NH+][C@H](C)CS1)c1ccccn1 ZINC000035695354 176348774 /nfs/dbraw/zinc/34/87/74/176348774.db2.gz AHBLDYHQRPRKOX-RKDXNWHRSA-N 1 0 221.329 2.224 10 0 BEAERO C[C@@H]1CSC(NCc2ccc(F)cc2)=[NH+]1 ZINC000035294949 176349325 /nfs/dbraw/zinc/34/93/25/176349325.db2.gz XCSXRCJRXXRAQL-MRVPVSSYSA-N 1 0 224.304 2.407 10 0 BEAERO C[C@@H]1CSC[C@H]1[NH2+][C@H]1COc2ccccc21 ZINC000287455407 176355804 /nfs/dbraw/zinc/35/58/04/176355804.db2.gz LPHCRFXGGHDMPO-ADEWGFFLSA-N 1 0 235.352 2.461 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](C2(CN)CCSCC2)C1 ZINC000042334934 176360544 /nfs/dbraw/zinc/36/05/44/176360544.db2.gz KKYQCKGOMAFVQP-VXGBXAGGSA-N 1 0 242.432 2.189 10 0 BEAERO C[C@@H]1C[C@@H](C)C[NH+](CC2(N)CCCC2)C1 ZINC000037479584 176361177 /nfs/dbraw/zinc/36/11/77/176361177.db2.gz XQWRZUVXVDLOOQ-VXGBXAGGSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1cc(F)c(F)cc1F ZINC000061094253 176372130 /nfs/dbraw/zinc/37/21/30/176372130.db2.gz NJNQXPRGVVMTRZ-SFYZADRCSA-N 1 0 244.260 2.420 10 0 BEAERO C[C@@H]1C[C@H](C(=O)N2CCCCCC2)CC[C@@H]1[NH3+] ZINC000055122656 176410390 /nfs/dbraw/zinc/41/03/90/176410390.db2.gz HGTWIIQKDNCVNK-UPJWGTAASA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@]1(O)CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000163589622 176541053 /nfs/dbraw/zinc/54/10/53/176541053.db2.gz CSMJFWNRCOFKRJ-DZGCQCFKSA-N 1 0 231.339 2.173 10 0 BEAERO C[C@H](C(=O)Nc1ccccc1Cl)C1C[NH2+]C1 ZINC000129043658 176581032 /nfs/dbraw/zinc/58/10/32/176581032.db2.gz WEBQDRMRAZZUHG-QMMMGPOBSA-N 1 0 238.718 2.134 10 0 BEAERO C[C@H](CC[NH3+])Nc1ccnc(C(F)(F)F)c1 ZINC000304302388 176628469 /nfs/dbraw/zinc/62/84/69/176628469.db2.gz PEABTSAHKMGZGN-SSDOTTSWSA-N 1 0 233.237 2.250 10 0 BEAERO C[C@H](Cc1ccccc1)Nc1[nH+]ccn1C ZINC000062187908 176724441 /nfs/dbraw/zinc/72/44/41/176724441.db2.gz WRCCODIHGSHGJM-LLVKDONJSA-N 1 0 215.300 2.463 10 0 BEAERO C[C@H]([NH3+])CCc1cn(C)c2ccccc12 ZINC000024542478 176759819 /nfs/dbraw/zinc/75/98/19/176759819.db2.gz ZOARAUGBIPUCJR-JTQLQIEISA-N 1 0 202.301 2.458 10 0 BEAERO C[C@H]([NH3+])Cc1nc(-c2c(F)cccc2F)c[nH]1 ZINC000037608907 176762308 /nfs/dbraw/zinc/76/23/08/176762308.db2.gz YTEREJMQTMUDTM-ZETCQYMHSA-N 1 0 237.253 2.245 10 0 BEAERO C[C@H]([NH3+])[C@@H](OC[C@@H]1CCCO1)c1ccccc1 ZINC000042903552 176764941 /nfs/dbraw/zinc/76/49/41/176764941.db2.gz QTXXUYUXNPYFAA-FPMFFAJLSA-N 1 0 235.327 2.271 10 0 BEAERO C[C@H]([NH3+])[C@@H](Sc1cnccn1)c1cccnc1 ZINC000104357019 176765037 /nfs/dbraw/zinc/76/50/37/176765037.db2.gz KNJRIKIQOHOFPN-JOYOIKCWSA-N 1 0 246.339 2.052 10 0 BEAERO C[C@H]([NH3+])[C@H](O)c1cccc(Cl)c1Cl ZINC000020216721 176771640 /nfs/dbraw/zinc/77/16/40/176771640.db2.gz ZPQPZNIPSWDAAB-CDUCUWFYSA-N 1 0 220.099 2.374 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1CCCCN1C)c1ccncc1 ZINC000044561887 176859558 /nfs/dbraw/zinc/85/95/58/176859558.db2.gz HLUTXVYXSGAXCQ-JSGCOSHPSA-N 1 0 233.359 2.217 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000128688132 176887973 /nfs/dbraw/zinc/88/79/73/176887973.db2.gz JUOIJOCNBGFOMW-SRVKXCTJSA-N 1 0 207.317 2.354 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)[C@H](C)CO ZINC000134174302 176912533 /nfs/dbraw/zinc/91/25/33/176912533.db2.gz YHBGLBVLSJZXJN-MXWKQRLJSA-N 1 0 225.307 2.493 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@H]1O)c1ccccc1 ZINC000005808184 176922354 /nfs/dbraw/zinc/92/23/54/176922354.db2.gz XRTOQDRFDAUSLY-WCFLWFBJSA-N 1 0 205.301 2.251 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc(O)c1 ZINC000134057131 176924820 /nfs/dbraw/zinc/92/48/20/176924820.db2.gz MSNYANXPHBVKPX-CWSCBRNRSA-N 1 0 221.300 2.220 10 0 BEAERO C[C@H](OC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095068478 177020837 /nfs/dbraw/zinc/02/08/37/177020837.db2.gz UJTRIJYQNKRSJF-VHSXEESVSA-N 1 0 226.345 2.363 10 0 BEAERO C[C@H](OC[C@@H]1CCOC1)[C@@H]([NH3+])c1ccccc1 ZINC000049689426 177021302 /nfs/dbraw/zinc/02/13/02/177021302.db2.gz UWRUGRXSBGHAIN-OUCADQQQSA-N 1 0 235.327 2.128 10 0 BEAERO C[C@H](OC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000095068510 177021449 /nfs/dbraw/zinc/02/14/49/177021449.db2.gz OVSGJRFYTFWGPD-QWRGUYRKSA-N 1 0 209.289 2.357 10 0 BEAERO C[C@H](c1ccc(C[NH3+])cc1)N1CCCCC1=O ZINC000037748194 177032552 /nfs/dbraw/zinc/03/25/52/177032552.db2.gz GASCTEQHJXWNIC-LLVKDONJSA-N 1 0 232.327 2.219 10 0 BEAERO C[C@H](c1cccc(Cl)c1)N(C)C1C[NH2+]C1 ZINC000062014502 177035611 /nfs/dbraw/zinc/03/56/11/177035611.db2.gz XDLSJEYEXIIFLM-SECBINFHSA-N 1 0 224.735 2.305 10 0 BEAERO C[C@H](c1cccc(O)c1)N(C)CCC[NH+](C)C ZINC000168105114 177036268 /nfs/dbraw/zinc/03/62/68/177036268.db2.gz NHOPJOFSAYRHPZ-GFCCVEGCSA-N 1 0 236.359 2.337 10 0 BEAERO C[C@H](c1cccc(N)c1)[N@H+](C)C1CCN(C)CC1 ZINC000042288342 177036644 /nfs/dbraw/zinc/03/66/44/177036644.db2.gz WYKXXSIISAFAIZ-GFCCVEGCSA-N 1 0 247.386 2.356 10 0 BEAERO C[C@H](c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925500 177039837 /nfs/dbraw/zinc/03/98/37/177039837.db2.gz QBTIMEJJLHPLGP-UKRRQHHQSA-N 1 0 248.370 2.010 10 0 BEAERO C[C@H](c1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000095829959 177040171 /nfs/dbraw/zinc/04/01/71/177040171.db2.gz BYDOZJQQICNGSG-BNOWGMLFSA-N 1 0 216.328 2.041 10 0 BEAERO C[C@H](c1ccccc1F)N(C)[C@@H]1CC[NH2+]C1 ZINC000062014536 177042012 /nfs/dbraw/zinc/04/20/12/177042012.db2.gz NZQNEDZDHWEDIO-GHMZBOCLSA-N 1 0 222.307 2.180 10 0 BEAERO C[C@H]1CCCC[C@@H]1Oc1ccc(C(N)=[NH2+])cn1 ZINC000019511750 177084709 /nfs/dbraw/zinc/08/47/09/177084709.db2.gz RGZSNYLMSRTZSY-ONGXEEELSA-N 1 0 233.315 2.323 10 0 BEAERO C[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1ccccn1 ZINC000036777250 177090239 /nfs/dbraw/zinc/09/02/39/177090239.db2.gz LCWDEMFVTRXTJG-DZGCQCFKSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCCC[C@H]1Oc1ccc(C[NH3+])cn1 ZINC000019280543 177090274 /nfs/dbraw/zinc/09/02/74/177090274.db2.gz BUNFRNZKPAUJIK-CMPLNLGQSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCCN([C@@H](C[NH3+])c2ccsc2)C1 ZINC000022170224 177103401 /nfs/dbraw/zinc/10/34/01/177103401.db2.gz WMISBQCFSAKGPZ-JQWIXIFHSA-N 1 0 224.373 2.480 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000044117797 177103908 /nfs/dbraw/zinc/10/39/08/177103908.db2.gz RJKOXVFZDFDFQE-GLQYFDAESA-N 1 0 231.339 2.377 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2N)C1 ZINC000022565505 177104316 /nfs/dbraw/zinc/10/43/16/177104316.db2.gz GXJJLPXSGBPRLS-GLQYFDAESA-N 1 0 230.355 2.343 10 0 BEAERO C[C@H]1CCC[N@@H+]([C@@H]2COc3ccccc3[C@@H]2O)C1 ZINC000044117592 177104358 /nfs/dbraw/zinc/10/43/58/177104358.db2.gz GPRANTOFKJBPLY-LNSITVRQSA-N 1 0 247.338 2.213 10 0 BEAERO C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2CN1 ZINC000037911163 177108806 /nfs/dbraw/zinc/10/88/06/177108806.db2.gz JJHFBOBENBMCIX-WFASDCNBSA-N 1 0 230.355 2.185 10 0 BEAERO C[C@H]1CCC[N@@H+]1CCOc1cccc(N)c1 ZINC000038000060 177108958 /nfs/dbraw/zinc/10/89/58/177108958.db2.gz QARDBXQEVZUWRH-NSHDSACASA-N 1 0 220.316 2.132 10 0 BEAERO C[C@H]1CCC[N@@H+]1[C@@H](CN)c1cccs1 ZINC000037910260 177111968 /nfs/dbraw/zinc/11/19/68/177111968.db2.gz XROIELXLESQYES-UWVGGRQHSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C)[NH2+]1 ZINC000019513735 177113416 /nfs/dbraw/zinc/11/34/16/177113416.db2.gz VTIFPPPKPVGFGU-RVMXOQNASA-N 1 0 238.375 2.212 10 0 BEAERO C[C@H]1CCC[C@@H](CNC(=O)CC(C)(C)C)[NH2+]1 ZINC000051572889 177119647 /nfs/dbraw/zinc/11/96/47/177119647.db2.gz VAKBVCPUXSHNFR-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2cccnc2)C1 ZINC000036771018 177127344 /nfs/dbraw/zinc/12/73/44/177127344.db2.gz HLWLDTCGRVYMLR-DZGCQCFKSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2ccc(O)cc2)C1 ZINC000053114922 177127473 /nfs/dbraw/zinc/12/74/73/177127473.db2.gz YMAZSEYGFCKMNC-SWLSCSKDSA-N 1 0 249.354 2.423 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)N(C)c2ccccc2)[NH2+]1 ZINC000019480174 177129391 /nfs/dbraw/zinc/12/93/91/177129391.db2.gz RSCSVPBVYQWVLN-WCQYABFASA-N 1 0 232.327 2.180 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCCC(=O)N(C)C ZINC000047980031 177136812 /nfs/dbraw/zinc/13/68/12/177136812.db2.gz LLZXTENOGRHDJY-XQQFMLRXSA-N 1 0 240.391 2.269 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000049304633 177136866 /nfs/dbraw/zinc/13/68/66/177136866.db2.gz PQSYFYHUKBZOJX-LOWVWBTDSA-N 1 0 238.375 2.022 10 0 BEAERO C[C@H]1CCC[C@H](Oc2ncccc2C[NH3+])C1 ZINC000026514765 177138865 /nfs/dbraw/zinc/13/88/65/177138865.db2.gz HICORWTVYGLNKO-JQWIXIFHSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCC[C@H](c2nccc(C[NH3+])n2)C1 ZINC000054791064 177139410 /nfs/dbraw/zinc/13/94/10/177139410.db2.gz MJOUPGHWWBAVRX-UWVGGRQHSA-N 1 0 205.305 2.229 10 0 BEAERO C[C@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071209104 177140766 /nfs/dbraw/zinc/14/07/66/177140766.db2.gz RPCJUKPNYFOKQY-RWMBFGLXSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2ccc(O)cc2)C1 ZINC000053114927 177143437 /nfs/dbraw/zinc/14/34/37/177143437.db2.gz YMAZSEYGFCKMNC-WFASDCNBSA-N 1 0 249.354 2.423 10 0 BEAERO C[C@H]1CCC[C@](CO)([NH2+]Cc2ccco2)C1 ZINC000053115455 177143468 /nfs/dbraw/zinc/14/34/68/177143468.db2.gz FKIFQNVIQXVQSR-AAEUAGOBSA-N 1 0 223.316 2.310 10 0 BEAERO C[C@@H]1C[C@@H](C)CC[N@H+]1C1(CN)CCSCC1 ZINC000051730375 177156784 /nfs/dbraw/zinc/15/67/84/177156784.db2.gz WYDSVEPVRYIWOO-NWDGAFQWSA-N 1 0 242.432 2.331 10 0 BEAERO C[C@H]1CC[N@H+](CCC2(O)CC2)C[C@H](C)C1 ZINC000336561206 177158920 /nfs/dbraw/zinc/15/89/20/177158920.db2.gz CUSRLDYKDPQMFX-NWDGAFQWSA-N 1 0 211.349 2.269 10 0 BEAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccnc1N ZINC000052731754 177164921 /nfs/dbraw/zinc/16/49/21/177164921.db2.gz HKUCJJDBYPTXAX-WDEREUQCSA-N 1 0 219.332 2.284 10 0 BEAERO C[C@H]1CC[N@@H+]([C@@H](CN)c2cccs2)C1 ZINC000042278834 177170150 /nfs/dbraw/zinc/17/01/50/177170150.db2.gz YZGBRMQWPMUJNZ-UWVGGRQHSA-N 1 0 210.346 2.090 10 0 BEAERO C[C@H]1CCN(c2ccccc2F)CC[NH2+]1 ZINC000049661437 177172315 /nfs/dbraw/zinc/17/23/15/177172315.db2.gz JZFCHFZFMKSRBJ-JTQLQIEISA-N 1 0 208.280 2.014 10 0 BEAERO C[C@H]1CCN(c2ncccc2C[NH2+]C2CC2)C1 ZINC000051448276 177172740 /nfs/dbraw/zinc/17/27/40/177172740.db2.gz IISYFHWIJFUCNL-NSHDSACASA-N 1 0 231.343 2.180 10 0 BEAERO C[C@H]1CCNCC[N@@H+]1C1CCCCCC1 ZINC000071512335 177174387 /nfs/dbraw/zinc/17/43/87/177174387.db2.gz BHFSJZKYLQOXKZ-LBPRGKRZSA-N 1 0 210.365 2.393 10 0 BEAERO C[C@H]1CC[NH2+][C@@H](C(=O)NCC2CCCCC2)C1 ZINC000126108717 177175026 /nfs/dbraw/zinc/17/50/26/177175026.db2.gz UZULDVZGGXHSNY-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CC[NH2+][C@H]1c1ccc2c(c1)OCCO2 ZINC000082786297 177176260 /nfs/dbraw/zinc/17/62/60/177176260.db2.gz OYTQCNBPZYHZAU-TVQRCGJNSA-N 1 0 219.284 2.128 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C)[C@H]([NH3+])C2)C1 ZINC000055122562 177180788 /nfs/dbraw/zinc/18/07/88/177180788.db2.gz BJLMFDNJSDTJEG-YVECIDJPSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCC(C)(C)C ZINC000112697703 177181724 /nfs/dbraw/zinc/18/17/24/177181724.db2.gz WAOKBQYAGBDMQS-WDEREUQCSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CC[C@H](C)[NH2+]C1 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C[C@H]1C[C@@H]1c1ccc(CN2CCC[NH2+]CC2)o1 ZINC000038086889 177351390 /nfs/dbraw/zinc/35/13/90/177351390.db2.gz OUSACHXSARDGPX-AAEUAGOBSA-N 1 0 234.343 2.198 10 0 BEAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2(CO)CC2)o1 ZINC000120374319 177351641 /nfs/dbraw/zinc/35/16/41/177351641.db2.gz QVVSAZXXUIDOPH-ONGXEEELSA-N 1 0 221.300 2.018 10 0 BEAERO C[C@H]1C[C@H](C)C[NH+](CCNCc2cccnc2)C1 ZINC000053344487 177359029 /nfs/dbraw/zinc/35/90/29/177359029.db2.gz TUYURYGBLVOKMW-KBPBESRZSA-N 1 0 247.386 2.149 10 0 BEAERO C[C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000133374713 177359954 /nfs/dbraw/zinc/35/99/54/177359954.db2.gz AICVPMAFWPKVIZ-QWRGUYRKSA-N 1 0 232.327 2.016 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cscn2)C[C@H](C)O1 ZINC000282053699 177363716 /nfs/dbraw/zinc/36/37/16/177363716.db2.gz AZCYHSZIRQZYGD-JGPRNRPPSA-N 1 0 240.372 2.436 10 0 BEAERO C[C@H]1C[C@H]([N@H+](C)CCc2ccccn2)CCN1C ZINC000123143782 177364653 /nfs/dbraw/zinc/36/46/53/177364653.db2.gz PPMXLCSVSASEKN-DZGCQCFKSA-N 1 0 247.386 2.039 10 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C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000488346291 225381448 /nfs/dbraw/zinc/38/14/48/225381448.db2.gz IZPAGJXUKZAYJD-AAVRWANBSA-N 1 0 223.360 2.269 10 0 BEAERO C[C@H](Nc1cccc(CCCO)c1)[C@@H]1CC[NH2+]C1 ZINC000400503976 226345199 /nfs/dbraw/zinc/34/51/99/226345199.db2.gz CSJMDOQVTYTQTR-GXTWGEPZSA-N 1 0 248.370 2.021 10 0 BEAERO C[C@@H](Nc1cccc(CCCO)c1)[C@@H]1CC[NH2+]C1 ZINC000400503983 226345409 /nfs/dbraw/zinc/34/54/09/226345409.db2.gz CSJMDOQVTYTQTR-TZMCWYRMSA-N 1 0 248.370 2.021 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCc2occc21)[C@H]1CC[NH2+]C1 ZINC000400748855 226351069 /nfs/dbraw/zinc/35/10/69/226351069.db2.gz MJKVHNAHCGDSMW-GVXVVHGQSA-N 1 0 234.343 2.245 10 0 BEAERO CO[C@H](C[N@@H+]1C[C@H](C)C[C@@H](O)C1)c1ccccc1 ZINC000401569607 226359709 /nfs/dbraw/zinc/35/97/09/226359709.db2.gz DDZQCPAGGSKPIJ-BPLDGKMQSA-N 1 0 249.354 2.077 10 0 BEAERO Cc1cccc(OCC[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1 ZINC000401853128 226362272 /nfs/dbraw/zinc/36/22/72/226362272.db2.gz VSLUINKXPLMYSJ-KBPBESRZSA-N 1 0 249.354 2.077 10 0 BEAERO Cc1cc(F)ccc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401969750 226364134 /nfs/dbraw/zinc/36/41/34/226364134.db2.gz YFMXRMWTJKDENJ-QMTHXVAHSA-N 1 0 237.318 2.337 10 0 BEAERO CC1CC(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000568500556 322936105 /nfs/dbraw/zinc/93/61/05/322936105.db2.gz OJOJJQCNXFREMJ-UHFFFAOYSA-N 1 0 230.311 2.274 10 0 BEAERO CC(C)CC(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000391199453 262746832 /nfs/dbraw/zinc/74/68/32/262746832.db2.gz AWBAKZDZLIZXOJ-VXGBXAGGSA-N 1 0 240.391 2.030 10 0 BEAERO C[C@@H]1CC[C@@H](CNC(=O)OCc2ccccc2)[NH2+]1 ZINC000306918775 229398386 /nfs/dbraw/zinc/39/83/86/229398386.db2.gz AMKZCSVSSDCKNX-YPMHNXCESA-N 1 0 248.326 2.053 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC[C@H]1O ZINC000227246629 487672931 /nfs/dbraw/zinc/67/29/31/487672931.db2.gz QIELQZXJBSIDOD-UMVBOHGHSA-N 1 0 247.338 2.273 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000054074543 487680622 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ZINC000397631473 262928083 /nfs/dbraw/zinc/92/80/83/262928083.db2.gz URYMQSPSDDZWOC-WHOHXGKFSA-N 1 0 238.375 2.068 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cs1 ZINC000328567978 487715357 /nfs/dbraw/zinc/71/53/57/487715357.db2.gz OPGPEJICJDZSCY-VXGBXAGGSA-N 1 0 225.357 2.450 10 0 BEAERO COc1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136303750 487723591 /nfs/dbraw/zinc/72/35/91/487723591.db2.gz CCLZOUWTBDOZPW-GFCCVEGCSA-N 1 0 236.315 2.007 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000249847646 487724620 /nfs/dbraw/zinc/72/46/20/487724620.db2.gz GAURCQPHJDZQLG-CLLJXQQHSA-N 1 0 244.338 2.391 10 0 BEAERO CC[C@@H]1CCC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000136473300 487737060 /nfs/dbraw/zinc/73/70/60/487737060.db2.gz WOQIFUMCLMMOFU-UPJWGTAASA-N 1 0 240.391 2.445 10 0 BEAERO C[C@H](N(C)C(=O)[C@H]1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000251043449 487747105 /nfs/dbraw/zinc/74/71/05/487747105.db2.gz MBXSVDFLMNXZRO-SRVKXCTJSA-N 1 0 240.391 2.254 10 0 BEAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCOCc1ccccc1 ZINC000384953459 487755535 /nfs/dbraw/zinc/75/55/35/487755535.db2.gz VQEMYJNPSXDXBU-DZGCQCFKSA-N 1 0 249.354 2.048 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOCc1ccccc1 ZINC000384953460 487755424 /nfs/dbraw/zinc/75/54/24/487755424.db2.gz VQEMYJNPSXDXBU-HIFRSBDPSA-N 1 0 249.354 2.048 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000251564365 487769615 /nfs/dbraw/zinc/76/96/15/487769615.db2.gz BLYCZEJYSDCKEB-FDYHWXHSSA-N 1 0 240.391 2.301 10 0 BEAERO C[C@@H]1CCC[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000300215318 487772068 /nfs/dbraw/zinc/77/20/68/487772068.db2.gz ZHDNNRNPCWHUFQ-OPRDCNLKSA-N 1 0 221.304 2.398 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251695316 487790860 /nfs/dbraw/zinc/79/08/60/487790860.db2.gz AZZCHCGSEFWKJE-LOWDOPEQSA-N 1 0 240.391 2.301 10 0 BEAERO C[C@@H]1CC[C@@H](C)N(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000251804338 487800211 /nfs/dbraw/zinc/80/02/11/487800211.db2.gz MBYKHXYUBOBNBM-JHJVBQTASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000251907177 487806792 /nfs/dbraw/zinc/80/67/92/487806792.db2.gz SZJWPXIVYJXRNT-MROQNXINSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000564860610 322942741 /nfs/dbraw/zinc/94/27/41/322942741.db2.gz RYPUGJQBKPNOIY-SDDRHHMPSA-N 1 0 211.349 2.029 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252094374 487813678 /nfs/dbraw/zinc/81/36/78/487813678.db2.gz FEJUIPRXLUDKIR-VOAKCMCISA-N 1 0 238.375 2.056 10 0 BEAERO C[C@H]1CCCN(c2ccc(Cl)cn2)[C@H]1C[NH3+] ZINC000252111770 487816037 /nfs/dbraw/zinc/81/60/37/487816037.db2.gz HWKVIMQKGDLMJN-ONGXEEELSA-N 1 0 239.750 2.299 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1F ZINC000089449573 487816324 /nfs/dbraw/zinc/81/63/24/487816324.db2.gz NTZHQVVAVNJAJB-UWVGGRQHSA-N 1 0 236.290 2.139 10 0 BEAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000367602674 487816109 /nfs/dbraw/zinc/81/61/09/487816109.db2.gz VIMIXFZOKUEPTO-CLPYTZEMSA-N 1 0 227.323 2.424 10 0 BEAERO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089448553 487818469 /nfs/dbraw/zinc/81/84/69/487818469.db2.gz QEKSSYVJXBGHJP-YPMHNXCESA-N 1 0 232.327 2.024 10 0 BEAERO CCCN(CC1CC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089451118 487818479 /nfs/dbraw/zinc/81/84/79/487818479.db2.gz INWBEKQLLHPPEW-STQMWFEESA-N 1 0 238.375 2.010 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCC1CCCC1 ZINC000089454471 487819033 /nfs/dbraw/zinc/81/90/33/487819033.db2.gz WLUVSGWVUUWHBN-OLZOCXBDSA-N 1 0 238.375 2.058 10 0 BEAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCC1CCCC1 ZINC000089454478 487819261 /nfs/dbraw/zinc/81/92/61/487819261.db2.gz WLUVSGWVUUWHBN-STQMWFEESA-N 1 0 238.375 2.058 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000252209235 487822301 /nfs/dbraw/zinc/82/23/01/487822301.db2.gz VWLNHUCSNJGRKV-IJLUTSLNSA-N 1 0 226.364 2.007 10 0 BEAERO CC(C)N(CC1CC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089460717 487823023 /nfs/dbraw/zinc/82/30/23/487823023.db2.gz ZMHZFERZOGSJIF-STQMWFEESA-N 1 0 238.375 2.008 10 0 BEAERO Cc1cccc(N(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089461253 487823730 /nfs/dbraw/zinc/82/37/30/487823730.db2.gz QASJKFZPPMCJRU-GXTWGEPZSA-N 1 0 246.354 2.333 10 0 BEAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089461936 487823978 /nfs/dbraw/zinc/82/39/78/487823978.db2.gz PKWFAXRVSIEGOW-RYUDHWBXSA-N 1 0 238.375 2.010 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000089461405 487824037 /nfs/dbraw/zinc/82/40/37/487824037.db2.gz GMLFMOOCOSLTDB-YVECIDJPSA-N 1 0 238.375 2.008 10 0 BEAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]([NH3+])[C@H]1C ZINC000238854306 525010379 /nfs/dbraw/zinc/01/03/79/525010379.db2.gz NMWRIHNNQCIKCJ-DYEKYZERSA-N 1 0 218.344 2.102 10 0 BEAERO CC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000252594946 487827459 /nfs/dbraw/zinc/82/74/59/487827459.db2.gz HABZZHHHACLWQR-UBHSHLNASA-N 1 0 246.354 2.252 10 0 BEAERO C[NH2+][C@@]1(C)CCCN(Cc2ccccc2)C1 ZINC000076647053 487838505 /nfs/dbraw/zinc/83/85/05/487838505.db2.gz BNJRIWMGWFXOQI-AWEZNQCLSA-N 1 0 218.344 2.261 10 0 BEAERO CC1(c2ccc(Br)cc2)C[NH2+]C1 ZINC000071532730 322951858 /nfs/dbraw/zinc/95/18/58/322951858.db2.gz LNHGFXXOSYLMAF-UHFFFAOYSA-N 1 0 226.117 2.310 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+]CC(=O)N(C)CC)CC1 ZINC000217376948 487855091 /nfs/dbraw/zinc/85/50/91/487855091.db2.gz SMJZGMHXNUVWMC-OLZOCXBDSA-N 1 0 240.391 2.413 10 0 BEAERO C[C@H]([NH3+])[C@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000334163928 487859541 /nfs/dbraw/zinc/85/95/41/487859541.db2.gz ZJKHJBTXPVRQIP-IVZWLZJFSA-N 1 0 227.348 2.338 10 0 BEAERO C[C@H]([NH3+])[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C1(C)C ZINC000334163927 487859564 /nfs/dbraw/zinc/85/95/64/487859564.db2.gz ZJKHJBTXPVRQIP-GUBZILKMSA-N 1 0 227.348 2.338 10 0 BEAERO Cc1ccc(C)c(C[NH2+]CC2CC(O)C2)c1 ZINC000084446194 322960646 /nfs/dbraw/zinc/96/06/46/322960646.db2.gz BPKQMTTWTAVNOD-UHFFFAOYSA-N 1 0 219.328 2.164 10 0 BEAERO C[C@H](C1CC1)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000036782826 487876614 /nfs/dbraw/zinc/87/66/14/487876614.db2.gz TTZHVAWRRTYCQH-SNVBAGLBSA-N 1 0 232.327 2.016 10 0 BEAERO CCC(C)(CC)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000227428209 487879138 /nfs/dbraw/zinc/87/91/38/487879138.db2.gz FXESETTUWKKYDD-WDEREUQCSA-N 1 0 226.364 2.056 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+]CC1CCSCC1 ZINC000229255302 487899997 /nfs/dbraw/zinc/89/99/97/487899997.db2.gz KLTQICWHVCVYBL-LBPRGKRZSA-N 1 0 229.389 2.288 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CCN1c1ccc(Cl)cn1 ZINC000083367687 487904798 /nfs/dbraw/zinc/90/47/98/487904798.db2.gz AYEQQIAHUIBGGF-NSHDSACASA-N 1 0 239.750 2.169 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229659444 487935262 /nfs/dbraw/zinc/93/52/62/487935262.db2.gz XDWZLUJDOOYTCP-UKRRQHHQSA-N 1 0 244.338 2.419 10 0 BEAERO COc1ncccc1C[NH2+]Cc1ccc(O)cc1 ZINC000037408053 487950223 /nfs/dbraw/zinc/95/02/23/487950223.db2.gz BAWNMXISHYFCIB-UHFFFAOYSA-N 1 0 244.294 2.086 10 0 BEAERO C[S@@](=O)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000126759273 322975312 /nfs/dbraw/zinc/97/53/12/322975312.db2.gz YVMYZWYHYDFDMN-CJNGLKHVSA-N 1 0 237.368 2.032 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403435540 323002243 /nfs/dbraw/zinc/00/22/43/323002243.db2.gz YUZDTXDCGYSHJR-SYLRKERUSA-N 1 0 209.333 2.068 10 0 BEAERO C(C1CCOCC1)[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000098177158 323005619 /nfs/dbraw/zinc/00/56/19/323005619.db2.gz MTYUIYHPIGOFGP-KBPBESRZSA-N 1 0 239.359 2.056 10 0 BEAERO OC1CC(C[NH2+]Cc2ccsc2Cl)C1 ZINC000312634927 323043483 /nfs/dbraw/zinc/04/34/83/323043483.db2.gz XYRSIQFMCKTJSX-UHFFFAOYSA-N 1 0 231.748 2.262 10 0 BEAERO COC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000569942680 323045367 /nfs/dbraw/zinc/04/53/67/323045367.db2.gz WRWNIMNTIZGVHG-RBSFLKMASA-N 1 0 249.354 2.267 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000394739164 323096842 /nfs/dbraw/zinc/09/68/42/323096842.db2.gz WNFFLYZFIAFCFR-NSHDSACASA-N 1 0 239.388 2.025 10 0 BEAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(c2ncc[nH]2)C1 ZINC000521402112 323201047 /nfs/dbraw/zinc/20/10/47/323201047.db2.gz VLQQUOXDKUDNEY-SKDRFNHKSA-N 1 0 207.321 2.410 10 0 BEAERO CSCC1CCC([NH3+])(c2ncc[nH]2)CC1 ZINC000521402023 323201099 /nfs/dbraw/zinc/20/10/99/323201099.db2.gz SPOHEHZYVKBGLJ-UHFFFAOYSA-N 1 0 225.361 2.117 10 0 BEAERO Cc1ccc(C[N@H+]2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399253751 323202182 /nfs/dbraw/zinc/20/21/82/323202182.db2.gz NUCNSFRCNDBWLQ-GXTWGEPZSA-N 1 0 219.328 2.340 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000054081564 323202695 /nfs/dbraw/zinc/20/26/95/323202695.db2.gz OHSGFHWTEYISBU-RTXFEEFZSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccco1 ZINC000396731737 323657025 /nfs/dbraw/zinc/65/70/25/323657025.db2.gz YZFHNUFLWYDRBQ-OUAUKWLOSA-N 1 0 208.305 2.071 10 0 BEAERO [NH3+]C[C@H]1CCc2cc(Br)ccc21 ZINC000089064154 323942236 /nfs/dbraw/zinc/94/22/36/323942236.db2.gz VWQZJOMQTCXOCG-MRVPVSSYSA-N 1 0 226.117 2.438 10 0 BEAERO CC(C)n1ccc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000536951631 323956526 /nfs/dbraw/zinc/95/65/26/323956526.db2.gz UBNRPZBDQBDFKA-JTQLQIEISA-N 1 0 207.321 2.177 10 0 BEAERO Cc1ccccc1[C@H]1CC[C@@H](C[NH3+])OC1 ZINC000536958579 323970240 /nfs/dbraw/zinc/97/02/40/323970240.db2.gz QUOWYIJKMHRJPP-RYUDHWBXSA-N 1 0 205.301 2.216 10 0 BEAERO CCCN(CC)c1nc2c(s1)C[NH2+]CC2 ZINC000536959845 323972685 /nfs/dbraw/zinc/97/26/85/323972685.db2.gz MDKBPJDRXHXFLV-UHFFFAOYSA-N 1 0 225.361 2.025 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000162968104 324179953 /nfs/dbraw/zinc/17/99/53/324179953.db2.gz OZGRTQZUKQCEDX-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO C([NH2+]CC1(C2CC2)CC1)C1CCOCC1 ZINC000125851576 324659174 /nfs/dbraw/zinc/65/91/74/324659174.db2.gz BQOXVNAIODOJFH-UHFFFAOYSA-N 1 0 209.333 2.193 10 0 BEAERO CCC(CC)[C@@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000128264765 324817316 /nfs/dbraw/zinc/81/73/16/324817316.db2.gz UIDCUJCLZJHHCV-NEPJUHHUSA-N 1 0 231.405 2.269 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229665037 324971628 /nfs/dbraw/zinc/97/16/28/324971628.db2.gz ODMVXTCDHWTLFC-ZWNOBZJWSA-N 1 0 230.311 2.435 10 0 BEAERO OC1CC(C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229660035 324971673 /nfs/dbraw/zinc/97/16/73/324971673.db2.gz NFIMBVVXRWULDI-UHFFFAOYSA-N 1 0 230.311 2.028 10 0 BEAERO [NH3+]CCCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000070201704 324997662 /nfs/dbraw/zinc/99/76/62/324997662.db2.gz NZMBOOUBRSYZJG-AWEZNQCLSA-N 1 0 246.354 2.309 10 0 BEAERO COC[C@@H](C)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000131913387 325190366 /nfs/dbraw/zinc/19/03/66/325190366.db2.gz QKIKGQYEZWMXML-LBPRGKRZSA-N 1 0 237.343 2.410 10 0 BEAERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC1 ZINC000132552680 325224585 /nfs/dbraw/zinc/22/45/85/325224585.db2.gz LGBPARRCZKHWBP-NEPJUHHUSA-N 1 0 225.332 2.108 10 0 BEAERO C[C@@H]([NH2+]CCc1cscn1)c1cncs1 ZINC000134854164 325379251 /nfs/dbraw/zinc/37/92/51/325379251.db2.gz ILKKQTWGMIMEFG-MRVPVSSYSA-N 1 0 239.369 2.493 10 0 BEAERO CC[C@@H](CCO)[NH2+]Cc1ccnc2ccccc12 ZINC000134985959 325386342 /nfs/dbraw/zinc/38/63/42/325386342.db2.gz CQQJCNHJHYMIFI-ZDUSSCGKSA-N 1 0 244.338 2.485 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000245903530 325532943 /nfs/dbraw/zinc/53/29/43/325532943.db2.gz BPKCLDJBSAMWQB-UMVBOHGHSA-N 1 0 249.354 2.359 10 0 BEAERO OC1CC(C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000091524253 325687316 /nfs/dbraw/zinc/68/73/16/325687316.db2.gz IPLWEBAYUVZIGJ-UHFFFAOYSA-N 1 0 235.371 2.172 10 0 BEAERO C[NH2+][C@H]1CCCN(c2nc(C)cc(C(C)C)n2)C1 ZINC000122227567 487969375 /nfs/dbraw/zinc/96/93/75/487969375.db2.gz NIMFGEJHZLLRDT-LBPRGKRZSA-N 1 0 248.374 2.097 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CCn2ccccc2=O)o1 ZINC000211901993 487970130 /nfs/dbraw/zinc/97/01/30/487970130.db2.gz KWAZLFMNBIYZPK-GFCCVEGCSA-N 1 0 246.310 2.101 10 0 BEAERO CCc1nnc(C[NH2+][C@@H](C)C2CCCC2)n1C ZINC000184646784 487970614 /nfs/dbraw/zinc/97/06/14/487970614.db2.gz VFPDJGHVGYNZFF-JTQLQIEISA-N 1 0 236.363 2.046 10 0 BEAERO CC1CC[NH+](CCN2CCS[C@@H](C)C2)CC1 ZINC000153772337 326112547 /nfs/dbraw/zinc/11/25/47/326112547.db2.gz ZAGPSBJOUIZLCZ-ZDUSSCGKSA-N 1 0 242.432 2.156 10 0 BEAERO Cc1ccc2c(c1)[C@H]([NH2+]CC1CC(O)C1)CC2 ZINC000163443889 326402038 /nfs/dbraw/zinc/40/20/38/326402038.db2.gz LUYGZPVZCRZKCW-ABIUDSBCSA-N 1 0 231.339 2.343 10 0 BEAERO CC(C)c1nsc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165761953 326426358 /nfs/dbraw/zinc/42/63/58/326426358.db2.gz LDACNASLKZJHKR-YUMQZZPRSA-N 1 0 228.365 2.199 10 0 BEAERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CCO)C1 ZINC000161582521 487988501 /nfs/dbraw/zinc/98/85/01/487988501.db2.gz MEPMHPOFVWMHER-QWHCGFSZSA-N 1 0 219.328 2.452 10 0 BEAERO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2O)c(C)c1 ZINC000401107571 488007478 /nfs/dbraw/zinc/00/74/78/488007478.db2.gz JABQRLMTBNGJCR-HUUCEWRRSA-N 1 0 248.370 2.134 10 0 BEAERO Cn1cc(-c2ccc3c(c2)CC[C@@H]3[NH3+])cn1 ZINC000236128068 488042624 /nfs/dbraw/zinc/04/26/24/488042624.db2.gz STHMXQQPLSRHBZ-ZDUSSCGKSA-N 1 0 213.284 2.033 10 0 BEAERO Cc1c(Br)cccc1CC[NH3+] ZINC000084479928 488053845 /nfs/dbraw/zinc/05/38/45/488053845.db2.gz SDIFZRQYCSLOHO-UHFFFAOYSA-N 1 0 214.106 2.259 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000220421547 488055580 /nfs/dbraw/zinc/05/55/80/488055580.db2.gz IWCRDWOGCJZGLX-TUAOUCFPSA-N 1 0 226.364 2.199 10 0 BEAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000310527482 488070082 /nfs/dbraw/zinc/07/00/82/488070082.db2.gz PCOXFJCFORRWMG-XJFOESAGSA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@@H]1CC[C@H](C)N1C(=O)C[C@H]([NH3+])C(C)C ZINC000136129010 488082152 /nfs/dbraw/zinc/08/21/52/488082152.db2.gz JFZFSGPCQKZXIJ-TUAOUCFPSA-N 1 0 226.364 2.149 10 0 BEAERO CC[C@H]1CC[C@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000136125390 488082288 /nfs/dbraw/zinc/08/22/88/488082288.db2.gz UWFSZEXFNFPPEI-WTIISPKJSA-N 1 0 238.375 2.293 10 0 BEAERO Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1F ZINC000136303009 488094012 /nfs/dbraw/zinc/09/40/12/488094012.db2.gz GBTZAANISTUCQC-LBPRGKRZSA-N 1 0 238.306 2.446 10 0 BEAERO CCC1CCC(NC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136440227 488102435 /nfs/dbraw/zinc/10/24/35/488102435.db2.gz OBLYTDFPMIDFOY-BPCQOVAHSA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000136439983 488102505 /nfs/dbraw/zinc/10/25/05/488102505.db2.gz ASQPQUCHQSOUCQ-AGIUHOORSA-N 1 0 240.391 2.397 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)c1ccccc1 ZINC000136437337 488102731 /nfs/dbraw/zinc/10/27/31/488102731.db2.gz WVRNJUBLINNSKC-TZMCWYRMSA-N 1 0 248.370 2.280 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378764575 488104034 /nfs/dbraw/zinc/10/40/34/488104034.db2.gz CKCBVRBLKUKZRD-YYHQMBLXSA-N 1 0 209.333 2.068 10 0 BEAERO C[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000389732335 488109383 /nfs/dbraw/zinc/10/93/83/488109383.db2.gz STVDOKMFVAJMDO-MDZLAQPJSA-N 1 0 211.349 2.268 10 0 BEAERO CN(CCC(C)(C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000258666709 488126268 /nfs/dbraw/zinc/12/62/68/488126268.db2.gz HTSSOBJETWOXDF-LBPRGKRZSA-N 1 0 240.391 2.271 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN[C@H]1C ZINC000396709924 487531906 /nfs/dbraw/zinc/53/19/06/487531906.db2.gz OXJMJALYXUSVLY-VOAKCMCISA-N 1 0 210.365 2.295 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396709916 487532123 /nfs/dbraw/zinc/53/21/23/487532123.db2.gz OXJMJALYXUSVLY-FVCCEPFGSA-N 1 0 210.365 2.295 10 0 BEAERO CC1(C)CC([NH2+][C@@H]2CCNC2=O)CC(C)(C)C1 ZINC000658051880 487533270 /nfs/dbraw/zinc/53/32/70/487533270.db2.gz BUMDPLJSKKCXRZ-LLVKDONJSA-N 1 0 238.375 2.069 10 0 BEAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000658051806 487533506 /nfs/dbraw/zinc/53/35/06/487533506.db2.gz ADVRRGIWGVWHJS-RWMBFGLXSA-N 1 0 238.375 2.069 10 0 BEAERO O[C@H]1CCC[C@H](C[NH+]2C3CCC2CC3)C1 ZINC000399336259 487474026 /nfs/dbraw/zinc/47/40/26/487474026.db2.gz RXGSLHGROSBTRU-WTIISPKJSA-N 1 0 209.333 2.164 10 0 BEAERO O[C@@H]1CCC[C@H]1[NH+]1CCC2(CC2(F)F)CC1 ZINC000405108413 487475057 /nfs/dbraw/zinc/47/50/57/487475057.db2.gz AYIQHINHDGUFQX-NXEZZACHSA-N 1 0 231.286 2.021 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1cccc2ccc(C)nc21 ZINC000061875355 487487567 /nfs/dbraw/zinc/48/75/67/487487567.db2.gz VEPIVDDTIMMOCY-SNVBAGLBSA-N 1 0 243.310 2.090 10 0 BEAERO C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2O ZINC000300585541 487492216 /nfs/dbraw/zinc/49/22/16/487492216.db2.gz CJAWCZBJODHCLG-WDMOLILDSA-N 1 0 247.338 2.394 10 0 BEAERO O[C@@H]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000227726718 487494461 /nfs/dbraw/zinc/49/44/61/487494461.db2.gz SGQMSGXRFKZFEM-QWHCGFSZSA-N 1 0 211.349 2.414 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304619503 487512627 /nfs/dbraw/zinc/51/26/27/487512627.db2.gz SXJUGGUCAQYRLN-PDWCTOEPSA-N 1 0 223.360 2.316 10 0 BEAERO CCc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)o1 ZINC000051724150 487783917 /nfs/dbraw/zinc/78/39/17/487783917.db2.gz APRVYTLTCHIPMU-QWRGUYRKSA-N 1 0 223.316 2.235 10 0 BEAERO c1ccc2c(c1)CC[C@@H]2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000682069213 487890524 /nfs/dbraw/zinc/89/05/24/487890524.db2.gz DAUJWGDYZJDCES-HOCLYGCPSA-N 1 0 242.366 2.454 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000657877114 488158753 /nfs/dbraw/zinc/15/87/53/488158753.db2.gz FCTFPALYYWFOCG-WDEREUQCSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1cccs1 ZINC000037478334 488185234 /nfs/dbraw/zinc/18/52/34/488185234.db2.gz PSQPQNSCPQLCFX-SECBINFHSA-N 1 0 238.356 2.067 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CCC2)CC1 ZINC000308703102 488215474 /nfs/dbraw/zinc/21/54/74/488215474.db2.gz VKOLFCSKUNKSSN-VXGBXAGGSA-N 1 0 238.375 2.153 10 0 BEAERO CCC(CC)(C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)OC ZINC000668188895 488217472 /nfs/dbraw/zinc/21/74/72/488217472.db2.gz RSIPRZYLEGGRID-QWHCGFSZSA-N 1 0 241.375 2.349 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOCc1ccccc1 ZINC000399285348 488228490 /nfs/dbraw/zinc/22/84/90/488228490.db2.gz KLASCILOUCUAJM-ZFWWWQNUSA-N 1 0 249.354 2.048 10 0 BEAERO C[NH+](C)Cc1cccc(NCc2cncnc2)c1 ZINC000054767449 488311313 /nfs/dbraw/zinc/31/13/13/488311313.db2.gz NGPRDRNUQUYTJV-UHFFFAOYSA-N 1 0 242.326 2.150 10 0 BEAERO c1c(C[NH2+][C@H]2CCCOC2)[nH]c2ccccc12 ZINC000122243277 490130432 /nfs/dbraw/zinc/13/04/32/490130432.db2.gz DCDMDQXRNMOTBR-LBPRGKRZSA-N 1 0 230.311 2.437 10 0 BEAERO C[C@@H]1[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCOC1(C)C ZINC000660006583 490132152 /nfs/dbraw/zinc/13/21/52/490132152.db2.gz PQHBMTYDKABBBZ-YNEHKIRRSA-N 1 0 241.375 2.037 10 0 BEAERO OCC1(C[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000122316814 490132369 /nfs/dbraw/zinc/13/23/69/490132369.db2.gz VMQAZWPOXMSZOT-UHFFFAOYSA-N 1 0 249.329 2.434 10 0 BEAERO Cc1noc(CC[NH2+][C@H](C)CC2CCC2)n1 ZINC000129379333 490134555 /nfs/dbraw/zinc/13/45/55/490134555.db2.gz HUUMJKTXPHTPEJ-SECBINFHSA-N 1 0 223.320 2.089 10 0 BEAERO CNc1cc(C)[nH+]c(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000074934151 490309680 /nfs/dbraw/zinc/30/96/80/490309680.db2.gz JNDLNSYUYIZWDP-NXEZZACHSA-N 1 0 234.347 2.309 10 0 BEAERO CNc1cc(C)[nH+]c(N2CCC[C@@H](C)C2)n1 ZINC000074934141 490309740 /nfs/dbraw/zinc/30/97/40/490309740.db2.gz GMIYRDDOBGFAMR-SECBINFHSA-N 1 0 220.320 2.063 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccncc1 ZINC000217659505 490479427 /nfs/dbraw/zinc/47/94/27/490479427.db2.gz NBHFYBPRBRXGJJ-CYZMBNFOSA-N 1 0 220.316 2.036 10 0 BEAERO Cc1nccnc1[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000219094963 490553282 /nfs/dbraw/zinc/55/32/82/490553282.db2.gz JOIHNXMYBVBREQ-PWSUYJOCSA-N 1 0 235.331 2.005 10 0 BEAERO Cc1nccnc1[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000219095114 490553528 /nfs/dbraw/zinc/55/35/28/490553528.db2.gz JOIHNXMYBVBREQ-ZYHUDNBSSA-N 1 0 235.331 2.005 10 0 BEAERO CCCC[C@@H](CC)CC[NH2+]CC(=O)N(C)C ZINC000128723171 490588268 /nfs/dbraw/zinc/58/82/68/490588268.db2.gz XWEPRYIMDANUJS-GFCCVEGCSA-N 1 0 228.380 2.271 10 0 BEAERO CC[C@@H](C)N(CC)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128900412 490594100 /nfs/dbraw/zinc/59/41/00/490594100.db2.gz JJOAMANPVWLLAO-GHMZBOCLSA-N 1 0 214.353 2.007 10 0 BEAERO CCC[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000131453142 490639210 /nfs/dbraw/zinc/63/92/10/490639210.db2.gz MWPXTTLPVTVBAD-LBPRGKRZSA-N 1 0 219.332 2.489 10 0 BEAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000222648159 490653426 /nfs/dbraw/zinc/65/34/26/490653426.db2.gz IUPLDZJKHJWMJO-RAIGVLPGSA-N 1 0 211.349 2.458 10 0 BEAERO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000222656566 490654314 /nfs/dbraw/zinc/65/43/14/490654314.db2.gz FUNQNBQQBYYDPT-LPWJVIDDSA-N 1 0 211.349 2.458 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CO)cc1F ZINC000087284309 491067384 /nfs/dbraw/zinc/06/73/84/491067384.db2.gz FCDFBGIMYRRPMX-KOLCDFICSA-N 1 0 225.307 2.413 10 0 BEAERO Cc1cc2ccccc2nc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235746445 491069555 /nfs/dbraw/zinc/06/95/55/491069555.db2.gz VWCCHSSBQADHIX-AAEUAGOBSA-N 1 0 241.338 2.327 10 0 BEAERO CCOc1ccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399235972 491123436 /nfs/dbraw/zinc/12/34/36/491123436.db2.gz HIGVQSBEMKZJDC-GXTWGEPZSA-N 1 0 249.354 2.431 10 0 BEAERO Nc1c(Cl)c(F)cc(C[NH3+])c1Cl ZINC000082640867 491126281 /nfs/dbraw/zinc/12/62/81/491126281.db2.gz HZMXEHWAYMUJDL-UHFFFAOYSA-N 1 0 209.051 2.173 10 0 BEAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cncs1 ZINC000132338964 491135269 /nfs/dbraw/zinc/13/52/69/491135269.db2.gz RAEGWEUXRQSAGP-UWVGGRQHSA-N 1 0 226.345 2.363 10 0 BEAERO CC[C@@H](C)[C@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757126919 582501454 /nfs/dbraw/zinc/50/14/54/582501454.db2.gz HUMQVOGBUSXCHM-XCBNKYQSSA-N 1 0 228.361 2.032 10 0 BEAERO CC(C)[C@@H]1[NH2+][C@@]2(CCCOC2)OCC12CCC2 ZINC000757138943 582518730 /nfs/dbraw/zinc/51/87/30/582518730.db2.gz FIENFZIWFBBLBY-JSGCOSHPSA-N 1 0 239.359 2.308 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000300377184 582519010 /nfs/dbraw/zinc/51/90/10/582519010.db2.gz FNDPHCXIDXYKGX-NEPJUHHUSA-N 1 0 211.349 2.460 10 0 BEAERO C1CCC2(C1)C[NH2+]C1(CCSCC1)OC2 ZINC000757139767 582520085 /nfs/dbraw/zinc/52/00/85/582520085.db2.gz HPGSDVAQHXNAPX-UHFFFAOYSA-N 1 0 227.373 2.390 10 0 BEAERO CC1(C)C[NH2+]C2(CCCC2)O[C@]12CCOC2 ZINC000757140272 582520145 /nfs/dbraw/zinc/52/01/45/582520145.db2.gz ISJGNHOICLDBRZ-LBPRGKRZSA-N 1 0 225.332 2.062 10 0 BEAERO C[C@H]1CC(C)(C)C[C@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757139766 582520163 /nfs/dbraw/zinc/52/01/63/582520163.db2.gz HOGHXCNWASCMIS-SMDDNHRTSA-N 1 0 239.359 2.165 10 0 BEAERO CC(C)[C@H]1C[NH2+]C2(CC(CF)(CF)C2)OC1 ZINC000757140635 582520819 /nfs/dbraw/zinc/52/08/19/582520819.db2.gz BQWQGIXGBIYVCR-JTQLQIEISA-N 1 0 233.302 2.294 10 0 BEAERO C1CCC2(CC1)CCO[C@]1(CCCOC1)[NH2+]2 ZINC000757140295 582520525 /nfs/dbraw/zinc/52/05/25/582520525.db2.gz AYBQRRKJTVONJZ-ZDUSSCGKSA-N 1 0 225.332 2.206 10 0 BEAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757151948 582535901 /nfs/dbraw/zinc/53/59/01/582535901.db2.gz UHFKCQRWVIQDGJ-WCQYABFASA-N 1 0 225.332 2.062 10 0 BEAERO CC1(C)[NH2+][C@@H](Cc2ccccc2)CCO1 ZINC000757153764 582538163 /nfs/dbraw/zinc/53/81/63/582538163.db2.gz XLBODPIUWNAAGN-GFCCVEGCSA-N 1 0 205.301 2.344 10 0 BEAERO C[NH2+]C[C@@](C)(O)Cc1ccc(Cl)c(C)c1 ZINC000757155449 582540105 /nfs/dbraw/zinc/54/01/05/582540105.db2.gz CCOCIVRVZAOISV-LBPRGKRZSA-N 1 0 227.735 2.161 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182682085 535513633 /nfs/dbraw/zinc/51/36/33/535513633.db2.gz KGMBXMIFARLQQX-GHMZBOCLSA-N 1 0 222.336 2.378 10 0 BEAERO Fc1ncc(Cl)cc1C1CC[NH2+]CC1 ZINC000238596369 582671863 /nfs/dbraw/zinc/67/18/63/582671863.db2.gz MMCHMPYDLDWHRF-UHFFFAOYSA-N 1 0 214.671 2.341 10 0 BEAERO C[C@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401501980 534136104 /nfs/dbraw/zinc/13/61/04/534136104.db2.gz PFZBBKFEXYAVMD-BZPMIXESSA-N 1 0 219.328 2.450 10 0 BEAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000402113120 534244546 /nfs/dbraw/zinc/24/45/46/534244546.db2.gz ANYSYVLXRYZUJU-UPJWGTAASA-N 1 0 209.333 2.188 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN1Cc2cccc(N)c2C1 ZINC000036683550 517654984 /nfs/dbraw/zinc/65/49/84/517654984.db2.gz JDZXZYBZSWUZCM-CYBMUJFWSA-N 1 0 245.370 2.069 10 0 BEAERO CC[C@@H]([NH3+])c1ccc2c(c1)oc(=O)n2CC ZINC000051363259 517771242 /nfs/dbraw/zinc/77/12/42/517771242.db2.gz BIRLZAKHXXJHNY-SECBINFHSA-N 1 0 220.272 2.024 10 0 BEAERO COc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733868 518141783 /nfs/dbraw/zinc/14/17/83/518141783.db2.gz TUYNGVZVMLREPS-UHFFFAOYSA-N 1 0 237.299 2.312 10 0 BEAERO Fc1cc(Cl)ccc1CNC[C@@H]1CC[NH2+]C1 ZINC000398385466 518195921 /nfs/dbraw/zinc/19/59/21/518195921.db2.gz WMFHLYNKRBMYOW-SECBINFHSA-N 1 0 242.725 2.178 10 0 BEAERO C/C(=C\c1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC000229017040 518442605 /nfs/dbraw/zinc/44/26/05/518442605.db2.gz AJPVTTSZKDKEMQ-VAWYXSNFSA-N 1 0 244.338 2.040 10 0 BEAERO CCC[N@@H+]1CC[C@H](CC(=O)OCC)C[C@H]1C ZINC000242473345 519862208 /nfs/dbraw/zinc/86/22/08/519862208.db2.gz FGVINUJADVDVQD-NEPJUHHUSA-N 1 0 227.348 2.450 10 0 BEAERO CCCC[N@@H+]1CC[C@@H](CC(=O)OC)C[C@H]1C ZINC000252474415 520596771 /nfs/dbraw/zinc/59/67/71/520596771.db2.gz CWQJTZPWAAFKEH-VXGBXAGGSA-N 1 0 227.348 2.450 10 0 BEAERO CCCCn1nc(C)c(SCC[NH3+])c1C ZINC000095095593 521395785 /nfs/dbraw/zinc/39/57/85/521395785.db2.gz WCUMZODAACGMBA-UHFFFAOYSA-N 1 0 227.377 2.351 10 0 BEAERO C[NH+](C)[C@H](CO)c1ccc(Cl)c(F)c1 ZINC000095532643 522090025 /nfs/dbraw/zinc/09/00/25/522090025.db2.gz MYQUDYWMZDVYEL-SNVBAGLBSA-N 1 0 217.671 2.074 10 0 BEAERO CCc1nc(Nc2ccccc2)[nH+]c(NN)c1C ZINC000057331466 522406833 /nfs/dbraw/zinc/40/68/33/522406833.db2.gz WHIPXZZKCQLHKF-UHFFFAOYSA-N 1 0 243.314 2.377 10 0 BEAERO C[C@@H]1[C@H](C)CN(Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238854020 525681047 /nfs/dbraw/zinc/68/10/47/525681047.db2.gz MCYADVOUXKSBRH-BHPKHCPMSA-N 1 0 232.371 2.490 10 0 BEAERO C[C@H](OCCCC1CC[NH2+]CC1)c1cnccn1 ZINC000095068680 525900930 /nfs/dbraw/zinc/90/09/30/525900930.db2.gz WZIFNEFGMRYCRE-LBPRGKRZSA-N 1 0 249.358 2.334 10 0 BEAERO Cc1nc(Nc2ccccc2)[nH+]c(NN)c1C ZINC000057331469 527004450 /nfs/dbraw/zinc/00/44/50/527004450.db2.gz NPGWMNIFSUGBRS-UHFFFAOYSA-N 1 0 229.287 2.123 10 0 BEAERO [NH3+][C@@H]1CCCN(c2cc(-c3ccsc3)[nH]n2)C1 ZINC000229644849 527348945 /nfs/dbraw/zinc/34/89/45/527348945.db2.gz GBIYUHNSTKIUPY-SNVBAGLBSA-N 1 0 248.355 2.066 10 0 BEAERO CC(C)C[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401915222 528459693 /nfs/dbraw/zinc/45/96/93/528459693.db2.gz SCMNTIXENZUVQV-XQQFMLRXSA-N 1 0 213.365 2.371 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000300292795 528625304 /nfs/dbraw/zinc/62/53/04/528625304.db2.gz DXKXUENIYBMKEA-UONOGXRCSA-N 1 0 243.391 2.142 10 0 BEAERO CCC[NH+]1CCN(c2ccc([C@H](C)O)cc2)CC1 ZINC000035631435 534933137 /nfs/dbraw/zinc/93/31/37/534933137.db2.gz BZKAYVVJRYIRGU-ZDUSSCGKSA-N 1 0 248.370 2.272 10 0 BEAERO CC(C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)=C1CCCC1 ZINC000248644554 534962952 /nfs/dbraw/zinc/96/29/52/534962952.db2.gz SAIOZOCATHANCI-IHRRRGAJSA-N 1 0 248.370 2.073 10 0 BEAERO CC(C)[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000178355029 534972206 /nfs/dbraw/zinc/97/22/06/534972206.db2.gz OXCQTOTZNYODIU-BPNCWPANSA-N 1 0 219.328 2.279 10 0 BEAERO CCCCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248587537 534977947 /nfs/dbraw/zinc/97/79/47/534977947.db2.gz GLQJLXUXIRSFMA-AVGNSLFASA-N 1 0 238.375 2.153 10 0 BEAERO CCC(CC)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259085722 535004208 /nfs/dbraw/zinc/00/42/08/535004208.db2.gz JHKLDYOWBSWCFS-LLVKDONJSA-N 1 0 226.364 2.008 10 0 BEAERO CC1(C)[C@H]([NH2+]C[C@H]2CCCS2)[C@@H]2CCO[C@@H]21 ZINC000226951233 535072343 /nfs/dbraw/zinc/07/23/43/535072343.db2.gz ADFXFZUBXMBRGZ-KXNHARMFSA-N 1 0 241.400 2.285 10 0 BEAERO CCC1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000335803671 535322662 /nfs/dbraw/zinc/32/26/62/535322662.db2.gz WJZWFBOHOASTLB-WTIISPKJSA-N 1 0 238.375 2.212 10 0 BEAERO CC[NH2+]C1CCN(c2ccccc2COC)CC1 ZINC000049508981 535453161 /nfs/dbraw/zinc/45/31/61/535453161.db2.gz DRQHBRURQLWRMM-UHFFFAOYSA-N 1 0 248.370 2.411 10 0 BEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC000248841473 535534474 /nfs/dbraw/zinc/53/44/74/535534474.db2.gz NUKGDICMWALYSU-CHWSQXEVSA-N 1 0 240.391 2.269 10 0 BEAERO CCN1CCC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000084149312 535583066 /nfs/dbraw/zinc/58/30/66/535583066.db2.gz SLNLQXBIGNMYKE-NSHDSACASA-N 1 0 239.388 2.025 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)C(C)C ZINC000177024288 535588401 /nfs/dbraw/zinc/58/84/01/535588401.db2.gz GKUMBEOFYGOSSD-STQMWFEESA-N 1 0 240.391 2.221 10 0 BEAERO CCN1CCC[C@H]1C[N@H+](C)CCC(C)C ZINC000175343067 535590571 /nfs/dbraw/zinc/59/05/71/535590571.db2.gz BQMKIPNOAWTTGB-ZDUSSCGKSA-N 1 0 212.381 2.449 10 0 BEAERO CCC[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250345986 535603588 /nfs/dbraw/zinc/60/35/88/535603588.db2.gz YFUVQONUIWLISS-STQMWFEESA-N 1 0 238.375 2.119 10 0 BEAERO CCSCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227565817 535684247 /nfs/dbraw/zinc/68/42/47/535684247.db2.gz AVRJUHZSLKBSMX-STQMWFEESA-N 1 0 242.432 2.298 10 0 BEAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000181752426 535819327 /nfs/dbraw/zinc/81/93/27/535819327.db2.gz KREQNKDNCOXAOQ-JHJVBQTASA-N 1 0 248.374 2.151 10 0 BEAERO CCc1cccc(N2CC[NH2+][C@H](C)C2)c1 ZINC000016944709 535892969 /nfs/dbraw/zinc/89/29/69/535892969.db2.gz DBWKTAJLPVRTQP-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO CCc1ccccc1N1CCC([NH2+]C)CC1 ZINC000037241411 535942936 /nfs/dbraw/zinc/94/29/36/535942936.db2.gz ULESCYXFYHPMRN-UHFFFAOYSA-N 1 0 218.344 2.437 10 0 BEAERO CCn1cccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000234192935 536102014 /nfs/dbraw/zinc/10/20/14/536102014.db2.gz ULMSUKWWODJYGV-KGLIPLIRSA-N 1 0 234.343 2.165 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000234194394 536102103 /nfs/dbraw/zinc/10/21/03/536102103.db2.gz PHAPENGRHMBMAK-QWHCGFSZSA-N 1 0 236.359 2.411 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000227614350 536102292 /nfs/dbraw/zinc/10/22/92/536102292.db2.gz HWBJTXBQHXXLRO-OCCSQVGLSA-N 1 0 236.359 2.149 10 0 BEAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCSC ZINC000251827742 536164594 /nfs/dbraw/zinc/16/45/94/536164594.db2.gz PSSMYUISDWGELX-STQMWFEESA-N 1 0 242.432 2.298 10 0 BEAERO COC(=O)C[C@@H]1CC[N@H+](CC(C)C)C[C@@H]1C ZINC000226859394 536317995 /nfs/dbraw/zinc/31/79/95/536317995.db2.gz SNWFBRLQTHEELX-RYUDHWBXSA-N 1 0 227.348 2.164 10 0 BEAERO C[NH2+][C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000053204916 536365960 /nfs/dbraw/zinc/36/59/60/536365960.db2.gz JXPAUBRDXYZQMG-CYBMUJFWSA-N 1 0 241.338 2.423 10 0 BEAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC000261704416 536398316 /nfs/dbraw/zinc/39/83/16/536398316.db2.gz JLAZDILIHPZGAV-NWDGAFQWSA-N 1 0 240.391 2.317 10 0 BEAERO C[NH2+][C@H]1CCCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261538321 536413093 /nfs/dbraw/zinc/41/30/93/536413093.db2.gz ZQYWUYRWQXWURQ-RYUDHWBXSA-N 1 0 246.345 2.496 10 0 BEAERO CN(C[C@@H]1CCCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000261533093 536421464 /nfs/dbraw/zinc/42/14/64/536421464.db2.gz NGOYYMQPSCBXAO-MNOVXSKESA-N 1 0 232.318 2.106 10 0 BEAERO COC1(C[N@@H+]2C[C@@H]3CCC[C@H]32)CCCC1 ZINC000335709838 536631301 /nfs/dbraw/zinc/63/13/01/536631301.db2.gz QNUWEVPEWJFRKO-NWDGAFQWSA-N 1 0 209.333 2.430 10 0 BEAERO COC[C@H]([NH2+]CC1(CCO)CC1)c1ccccc1 ZINC000234734849 536874325 /nfs/dbraw/zinc/87/43/25/536874325.db2.gz RSNZSKBNKNNLJX-AWEZNQCLSA-N 1 0 249.354 2.126 10 0 BEAERO c1cc2c(s1)[C@@H](c1cncs1)[NH2+]CC2 ZINC000712526256 537850673 /nfs/dbraw/zinc/85/06/73/537850673.db2.gz IZIHSYQXRAYMQM-SECBINFHSA-N 1 0 222.338 2.440 10 0 BEAERO CCC[C@@H]1CC[C@H](O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245713 538003039 /nfs/dbraw/zinc/00/30/39/538003039.db2.gz LSOMZOBBXSSULA-NDBYEHHHSA-N 1 0 211.349 2.173 10 0 BEAERO CCC[C@@H]1CC[C@H](O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245718 538002217 /nfs/dbraw/zinc/00/22/17/538002217.db2.gz LSOMZOBBXSSULA-QNWHQSFQSA-N 1 0 211.349 2.173 10 0 BEAERO C[C@]1(N)C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262839 538089331 /nfs/dbraw/zinc/08/93/31/538089331.db2.gz YGOWQTOGQJSRMH-MNOVXSKESA-N 1 0 244.260 2.110 10 0 BEAERO C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000123997292 566284275 /nfs/dbraw/zinc/28/42/75/566284275.db2.gz CDTNBDWSYIWELP-BETUJISGSA-N 1 0 244.382 2.420 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@@H]2CCC2=O)C1 ZINC000669381204 566425851 /nfs/dbraw/zinc/42/58/51/566425851.db2.gz BETXGSLBNCXKBF-TUAOUCFPSA-N 1 0 209.333 2.334 10 0 BEAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037164305 566350760 /nfs/dbraw/zinc/35/07/60/566350760.db2.gz VDJLERVCFAVMNO-OLZOCXBDSA-N 1 0 235.327 2.088 10 0 BEAERO O[C@H](C[NH2+]C[C@H]1CCCc2ccccc21)C1CC1 ZINC000111342705 588744416 /nfs/dbraw/zinc/74/44/16/588744416.db2.gz FAWGQVGCDJOCBW-GDBMZVCRSA-N 1 0 245.366 2.467 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000111618083 588764770 /nfs/dbraw/zinc/76/47/70/588764770.db2.gz PONDZTLCLIISJD-RYUDHWBXSA-N 1 0 240.391 2.460 10 0 BEAERO CCCCC(=O)c1nc(C)c(CC[NH3+])s1 ZINC000757126297 582501475 /nfs/dbraw/zinc/50/14/75/582501475.db2.gz VPKOSMHRZPBWGE-UHFFFAOYSA-N 1 0 226.345 2.326 10 0 BEAERO CCCCC(=O)c1nc(C)c(C[NH3+])s1 ZINC000757126904 582501553 /nfs/dbraw/zinc/50/15/53/582501553.db2.gz WMCDJPPBQLGDOT-UHFFFAOYSA-N 1 0 212.318 2.283 10 0 BEAERO CN1CCc2cc(NCCC[NH+](C)C)ccc21 ZINC000757131019 582505746 /nfs/dbraw/zinc/50/57/46/582505746.db2.gz OXTPMUUZJASQRL-UHFFFAOYSA-N 1 0 233.359 2.043 10 0 BEAERO CC[C@H](C)[C@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757132528 582507175 /nfs/dbraw/zinc/50/71/75/582507175.db2.gz TZCCWXWAQQAILO-XVKPBYJWSA-N 1 0 228.361 2.250 10 0 BEAERO CC(C)[C@@H]1CCC[C@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757138570 582518180 /nfs/dbraw/zinc/51/81/80/582518180.db2.gz CJONKLPZFGXVRM-OCCSQVGLSA-N 1 0 239.359 2.165 10 0 BEAERO FC(F)(F)[C@H]1CCC[C@@]2(C1)[NH2+]CCCO2 ZINC000757139946 582520345 /nfs/dbraw/zinc/52/03/45/582520345.db2.gz KERPATRLVUSXGW-DTWKUNHWSA-N 1 0 223.238 2.445 10 0 BEAERO CC(C)[C@@H]1O[C@@]2(CCCOCC2)[NH2+]CC12CC2 ZINC000757141641 582522675 /nfs/dbraw/zinc/52/26/75/582522675.db2.gz JUXMIYZKUMTPPL-GXTWGEPZSA-N 1 0 239.359 2.308 10 0 BEAERO c1ccc([C@H]2CCO[C@@]3(CCCOC3)[NH2+]2)cc1 ZINC000757143294 582523280 /nfs/dbraw/zinc/52/32/80/582523280.db2.gz VUORFAGZNIMXQU-ZIAGYGMSSA-N 1 0 233.311 2.244 10 0 BEAERO CC(C)(C)[C@@H]1CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757143443 582523595 /nfs/dbraw/zinc/52/35/95/582523595.db2.gz XNGNUPXNESSOQA-AAEUAGOBSA-N 1 0 227.348 2.308 10 0 BEAERO C1CCC2(C1)C[NH2+][C@]1(CCCSC1)OC2 ZINC000757144681 582525533 /nfs/dbraw/zinc/52/55/33/582525533.db2.gz OZZZSOHQSCQTJF-GFCCVEGCSA-N 1 0 227.373 2.390 10 0 BEAERO C[C@H]1C[C@H](C)OC2(CC(C)(C)[NH2+]C(C)(C)C2)N1 ZINC000757144979 582526397 /nfs/dbraw/zinc/52/63/97/582526397.db2.gz HMTXQMSQAKHVJY-QWRGUYRKSA-N 1 0 240.391 2.410 10 0 BEAERO CC[C@@H]([NH3+])c1ccc(=O)c2ccc[nH]c1-2 ZINC000757146213 582529172 /nfs/dbraw/zinc/52/91/72/582529172.db2.gz RTIUNCUFVHEQRF-SNVBAGLBSA-N 1 0 202.257 2.350 10 0 BEAERO CC1(C)CCC[C@]2(C1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757146212 582529454 /nfs/dbraw/zinc/52/94/54/582529454.db2.gz QSIATMOJDBLMFL-KBPBESRZSA-N 1 0 239.359 2.452 10 0 BEAERO CC1(C)CC2(C1)[NH2+]CC(C)(C)[C@@]1(CCOC1)O2 ZINC000757147378 582531237 /nfs/dbraw/zinc/53/12/37/582531237.db2.gz SDHVODOLJBHXFO-ZDUSSCGKSA-N 1 0 239.359 2.308 10 0 BEAERO Cc1cc(C[C@]2([NH3+])CCOC2)ccc1Cl ZINC000757148009 582532356 /nfs/dbraw/zinc/53/23/56/582532356.db2.gz VMUMZZSPUVKMLS-GFCCVEGCSA-N 1 0 225.719 2.309 10 0 BEAERO C[C@@H]1CC(C)(C)O[C@@]2(CCCSC2)[NH2+]1 ZINC000757153448 582537522 /nfs/dbraw/zinc/53/75/22/582537522.db2.gz VVGWFAVEQMMFSK-MWLCHTKSSA-N 1 0 215.362 2.387 10 0 BEAERO C[C@]([NH3+])(CO)CCSCc1ccc(Cl)o1 ZINC000757166860 582548163 /nfs/dbraw/zinc/54/81/63/582548163.db2.gz WYGCYKCRBYVAKV-SNVBAGLBSA-N 1 0 249.763 2.266 10 0 BEAERO C[NH2+]CCSCc1ccc(Cl)o1 ZINC000757172671 582552031 /nfs/dbraw/zinc/55/20/31/582552031.db2.gz YQACBQUDGWZZMS-UHFFFAOYSA-N 1 0 205.710 2.386 10 0 BEAERO C[C@@H]1CC[C@H](N)[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757212985 582560598 /nfs/dbraw/zinc/56/05/98/582560598.db2.gz KPHPZTYJGWHIOV-LJWDBELGSA-N 1 0 229.327 2.308 10 0 BEAERO CCCC[C@@H]1CC[C@@H](C(=O)OCC)C[NH2+]1 ZINC000757216886 582561804 /nfs/dbraw/zinc/56/18/04/582561804.db2.gz RCIQVEBMUSZQSI-GHMZBOCLSA-N 1 0 213.321 2.108 10 0 BEAERO CC[C@H]1CCCC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000400482683 582578901 /nfs/dbraw/zinc/57/89/01/582578901.db2.gz ZFDQZXSECLFGOR-GWCFXTLKSA-N 1 0 219.332 2.351 10 0 BEAERO CCc1cn2c([nH+]1)NCC[C@H]2C(F)F ZINC000234178045 582605047 /nfs/dbraw/zinc/60/50/47/582605047.db2.gz GBFUPXPHXFYMAN-ZETCQYMHSA-N 1 0 201.220 2.067 10 0 BEAERO Cc1cn2c([nH+]1)N[C@H](c1ccncc1)CC2 ZINC000236044358 582636768 /nfs/dbraw/zinc/63/67/68/582636768.db2.gz LBIGCMRGDZSITF-NSHDSACASA-N 1 0 214.272 2.143 10 0 BEAERO c1nc2c([nH]1)[C@H]([C@@H]1CC[C@H]3C[C@H]3C1)[NH2+]CC2 ZINC000700030394 582747809 /nfs/dbraw/zinc/74/78/09/582747809.db2.gz OMRDIUBNCYJYPP-WYFGTUCQSA-N 1 0 217.316 2.033 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@]21CO[C@H](C2CC2)C1 ZINC000701088755 582849273 /nfs/dbraw/zinc/84/92/73/582849273.db2.gz AHPUSAISNBQUBF-WCQYABFASA-N 1 0 235.352 2.288 10 0 BEAERO Cc1nn(C)cc1[C@H]1[NH2+]CCc2sccc21 ZINC000397156663 583097810 /nfs/dbraw/zinc/09/78/10/583097810.db2.gz OPQIWRGEUPPWFK-LBPRGKRZSA-N 1 0 233.340 2.025 10 0 BEAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@H]1CCCOC1 ZINC000397164752 583098466 /nfs/dbraw/zinc/09/84/66/583098466.db2.gz ZKRPAIFBXNTOKX-JOYOIKCWSA-N 1 0 223.341 2.362 10 0 BEAERO Cc1csc2c1ncnc2NCC1CC([NH3+])C1 ZINC000222401595 583178041 /nfs/dbraw/zinc/17/80/41/583178041.db2.gz DHCBPONRMXJTGI-UHFFFAOYSA-N 1 0 248.355 2.149 10 0 BEAERO CC(C)(CO)[NH2+]Cc1ccccc1OC(F)F ZINC000020196747 584882624 /nfs/dbraw/zinc/88/26/24/584882624.db2.gz IAVOAWSHPSCUTJ-UHFFFAOYSA-N 1 0 245.269 2.149 10 0 BEAERO CCOC1CC([NH2+][C@@H](C)c2cncs2)C1 ZINC000219279782 584896378 /nfs/dbraw/zinc/89/63/78/584896378.db2.gz DBYPANBZXVKFPT-IDKOKCKLSA-N 1 0 226.345 2.361 10 0 BEAERO CC[C@@H](C)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757127663 586426572 /nfs/dbraw/zinc/42/65/72/586426572.db2.gz HTGBPBRGLLGVKY-TZMCWYRMSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@]12CCCN2CC(F)(F)F ZINC000757133786 586427120 /nfs/dbraw/zinc/42/71/20/586427120.db2.gz UIHGXXYJBIZCLB-NXEZZACHSA-N 1 0 236.281 2.155 10 0 BEAERO FC1(F)CCC2(CC1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757138277 586427837 /nfs/dbraw/zinc/42/78/37/586427837.db2.gz AXMQUVFQBBVVGM-SNVBAGLBSA-N 1 0 247.285 2.061 10 0 BEAERO CC[C@@]1(C)CCO[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000757141837 586427930 /nfs/dbraw/zinc/42/79/30/586427930.db2.gz COCVAWOPYMCNID-RYUDHWBXSA-N 1 0 213.321 2.060 10 0 BEAERO C[C@@H](CN1CC[C@@H]1C[NH3+])C1CCCCC1 ZINC000757146434 586428712 /nfs/dbraw/zinc/42/87/12/586428712.db2.gz QMVSFERFCUOUOF-WCQYABFASA-N 1 0 210.365 2.236 10 0 BEAERO CCC1CCC2(CC1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757151515 586428926 /nfs/dbraw/zinc/42/89/26/586428926.db2.gz ZPUNUEPLDHRCFF-MOKVOYLWSA-N 1 0 239.359 2.452 10 0 BEAERO C[NH2+][C@@H](C)[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757153275 586429709 /nfs/dbraw/zinc/42/97/09/586429709.db2.gz OETXLLIJTMSYNY-JOYOIKCWSA-N 1 0 227.735 2.160 10 0 BEAERO C[NH2+][C@@H](COC)Cc1ccc(Cl)c(C)c1 ZINC000757157450 586430528 /nfs/dbraw/zinc/43/05/28/586430528.db2.gz LDWDFYVARHGEEA-LLVKDONJSA-N 1 0 227.735 2.425 10 0 BEAERO Cc1cc(CC(=O)CCC[NH3+])ccc1Cl ZINC000757160786 586432090 /nfs/dbraw/zinc/43/20/90/586432090.db2.gz TYCGEWBJAKUMLD-UHFFFAOYSA-N 1 0 225.719 2.499 10 0 BEAERO C[C@@H]1CC[C@@H]([NH3+])[C@@](F)(C(=O)OC(C)(C)C)C1 ZINC000757183293 586433341 /nfs/dbraw/zinc/43/33/41/586433341.db2.gz NMQANSDCKSXIPH-KBVBSXBZSA-N 1 0 231.311 2.184 10 0 BEAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CCCCC2 ZINC000757184038 586433947 /nfs/dbraw/zinc/43/39/47/586433947.db2.gz HIGVLWVAOCQNCF-NSHDSACASA-N 1 0 239.359 2.498 10 0 BEAERO CCOC(=O)/C=C1/CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000757191592 586435877 /nfs/dbraw/zinc/43/58/77/586435877.db2.gz PWTKGSUFKJHZAQ-MNQYACPRSA-N 1 0 223.316 2.028 10 0 BEAERO COC(=O)[C@H](C[NH3+])C1CCCCCCC1 ZINC000757192009 586436008 /nfs/dbraw/zinc/43/60/08/586436008.db2.gz MEOFSWLQBYELHD-LLVKDONJSA-N 1 0 213.321 2.095 10 0 BEAERO CCc1cncc(SCC[C@@H](C)[NH3+])c1 ZINC000757207898 586437854 /nfs/dbraw/zinc/43/78/54/586437854.db2.gz CPICRGJEAXSENX-SECBINFHSA-N 1 0 210.346 2.473 10 0 BEAERO CC1(c2ccc([C@@H]3NCCC[C@H]3[NH3+])cc2)CC1 ZINC000757208383 586437976 /nfs/dbraw/zinc/43/79/76/586437976.db2.gz CLSXFGSEKGYGBD-KGLIPLIRSA-N 1 0 230.355 2.490 10 0 BEAERO C[C@@H]1CC[C@H](N)[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757212989 586439576 /nfs/dbraw/zinc/43/95/76/586439576.db2.gz KPHPZTYJGWHIOV-LQJRIPTKSA-N 1 0 229.327 2.308 10 0 BEAERO CC(=O)c1cccc([C@@H]2N[C@@H](C)CC[C@H]2[NH3+])c1 ZINC000757212295 586439581 /nfs/dbraw/zinc/43/95/81/586439581.db2.gz HXFJYGIDPXQBIF-FZZIBODNSA-N 1 0 232.327 2.030 10 0 BEAERO CC1(c2ccc([C@@H]3CC[NH2+]C[C@@H]3N)cc2)CC1 ZINC000757213012 586439677 /nfs/dbraw/zinc/43/96/77/586439677.db2.gz KRUKZVWMEUXDGR-KBPBESRZSA-N 1 0 230.355 2.142 10 0 BEAERO CC[C@@H]1C[C@H](C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000757215207 586440282 /nfs/dbraw/zinc/44/02/82/586440282.db2.gz NKNFOFGCBLVOHV-NXEZZACHSA-N 1 0 213.321 2.106 10 0 BEAERO C[C@@H]1CC[C@H](c2cccc(C=O)c2)C[NH2+]1 ZINC000757215343 586440755 /nfs/dbraw/zinc/44/07/55/586440755.db2.gz NDILJHGBSQBBFA-MFKMUULPSA-N 1 0 203.285 2.355 10 0 BEAERO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](C[C@@H]1[NH3+])C2 ZINC000757215672 586440839 /nfs/dbraw/zinc/44/08/39/586440839.db2.gz WQDIHROZPDIYBB-KWBADKCTSA-N 1 0 240.347 2.029 10 0 BEAERO CC(C)[C@@H]1CCC[C@]2(CC(=O)O[C@H]2C[NH3+])C1 ZINC000757224106 586442752 /nfs/dbraw/zinc/44/27/52/586442752.db2.gz NYTJJEBQFUYHMR-NTZNESFSSA-N 1 0 225.332 2.093 10 0 BEAERO Cc1ccc(N)cc1[C@H]1CC[NH2+]C[C@H]1C ZINC000757235627 586443206 /nfs/dbraw/zinc/44/32/06/586443206.db2.gz MDILAMZWACXCIU-PWSUYJOCSA-N 1 0 204.317 2.290 10 0 BEAERO NC[C@@H]1C[C@@H](c2cscc2C(F)F)CC[NH2+]1 ZINC000757234382 586443398 /nfs/dbraw/zinc/44/33/98/586443398.db2.gz KMIGZLYMDDDCPL-YUMQZZPRSA-N 1 0 246.326 2.480 10 0 BEAERO Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000757232451 586443456 /nfs/dbraw/zinc/44/34/56/586443456.db2.gz IIVYYLPAIACXGM-GXSJLCMTSA-N 1 0 204.317 2.290 10 0 BEAERO C[C@H]([NH3+])CCc1nc(Cc2ccc(F)cc2)no1 ZINC000109501385 588563823 /nfs/dbraw/zinc/56/38/23/588563823.db2.gz DHGHLZMAQVMPCN-VIFPVBQESA-N 1 0 249.289 2.079 10 0 BEAERO C[C@@H]([NH3+])CCc1nc(Cc2ccc(F)cc2)no1 ZINC000109501386 588563873 /nfs/dbraw/zinc/56/38/73/588563873.db2.gz DHGHLZMAQVMPCN-SECBINFHSA-N 1 0 249.289 2.079 10 0 BEAERO FC(F)(F)COCCC[NH2+]Cc1ccoc1 ZINC000122205132 589565344 /nfs/dbraw/zinc/56/53/44/589565344.db2.gz YAKMNTRYRXZBFS-UHFFFAOYSA-N 1 0 237.221 2.338 10 0 BEAERO O[C@H](C[NH2+][C@@H]1CSc2ccccc21)C1CC1 ZINC000123558127 589752353 /nfs/dbraw/zinc/75/23/53/589752353.db2.gz ZISYMJHAVGVRGG-VXGBXAGGSA-N 1 0 235.352 2.194 10 0 BEAERO CS[C@@H]1CC[C@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000126272236 590263077 /nfs/dbraw/zinc/26/30/77/590263077.db2.gz KPCUQVUDNLEFEO-NWDGAFQWSA-N 1 0 239.388 2.102 10 0 BEAERO Cc1cc(C[NH2+]C[C@H](O)C(C)(C)C)c(C)o1 ZINC000127640113 590727614 /nfs/dbraw/zinc/72/76/14/590727614.db2.gz NMKQWNHBTQZSGT-LBPRGKRZSA-N 1 0 225.332 2.393 10 0 BEAERO CSC(C)(C)CNC(=[NH2+])NC1CCCC1 ZINC000128222061 590936887 /nfs/dbraw/zinc/93/68/87/590936887.db2.gz TYQNZVVNODTZBS-UHFFFAOYSA-N 1 0 229.393 2.185 10 0 BEAERO CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCCSC1 ZINC000128277648 590956011 /nfs/dbraw/zinc/95/60/11/590956011.db2.gz DTHMQMNXMGXYCX-BMIGLBTASA-N 1 0 249.445 2.019 10 0 BEAERO CC(C)(C)C[N@H+](CCO)Cc1ccoc1 ZINC000128381757 591014220 /nfs/dbraw/zinc/01/42/20/591014220.db2.gz SLONJZAFBBEFCW-UHFFFAOYSA-N 1 0 211.305 2.120 10 0 BEAERO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000128556164 591120011 /nfs/dbraw/zinc/12/00/11/591120011.db2.gz CNHJOSWPZQAMCU-GMTAPVOTSA-N 1 0 215.362 2.039 10 0 BEAERO C[NH2+][C@H](C)c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000129808569 591410049 /nfs/dbraw/zinc/41/00/49/591410049.db2.gz HVDBMZUYXFNXBT-SECBINFHSA-N 1 0 247.298 2.334 10 0 BEAERO COCCOC[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000130249651 591451073 /nfs/dbraw/zinc/45/10/73/591451073.db2.gz TXAFRLLXVSDQMD-NWDGAFQWSA-N 1 0 229.364 2.206 10 0 BEAERO Cc1ncsc1CC[NH2+]Cc1ccoc1 ZINC000130668791 591496537 /nfs/dbraw/zinc/49/65/37/591496537.db2.gz LNRMBCQOURGILC-UHFFFAOYSA-N 1 0 222.313 2.377 10 0 BEAERO c1cc(C[NH2+]C[C@@H]2CSCCS2)co1 ZINC000131153517 591560010 /nfs/dbraw/zinc/56/00/10/591560010.db2.gz JKAAPVGWRVICNX-SNVBAGLBSA-N 1 0 229.370 2.218 10 0 BEAERO C[C@H](NCc1ccccn1)c1cncs1 ZINC000131919211 591677236 /nfs/dbraw/zinc/67/72/36/591677236.db2.gz WGKREBVJNKYCJX-VIFPVBQESA-N 1 0 219.313 2.389 10 0 BEAERO Cc1cccc(-c2nc([C@@H](C)C[NH3+])no2)c1F ZINC000132282627 591698452 /nfs/dbraw/zinc/69/84/52/591698452.db2.gz FGKYLFLYCHOJDA-QMMMGPOBSA-N 1 0 235.262 2.246 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000132426726 591708522 /nfs/dbraw/zinc/70/85/22/591708522.db2.gz QMRKSHJNXLGVTF-GJZGRUSLSA-N 1 0 233.355 2.370 10 0 BEAERO OC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000132426379 591709103 /nfs/dbraw/zinc/70/91/03/591709103.db2.gz QMRKSHJNXLGVTF-CABCVRRESA-N 1 0 233.355 2.370 10 0 BEAERO CCC[C@H](C)C[NH2+]C[C@@H](O)CC(C)C ZINC000132629403 591725884 /nfs/dbraw/zinc/72/58/84/591725884.db2.gz YCCAUDJXKLSZQO-RYUDHWBXSA-N 1 0 201.354 2.419 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000132982584 591754515 /nfs/dbraw/zinc/75/45/15/591754515.db2.gz ZNYFBEAZWTUVOT-GZMMTYOYSA-N 1 0 226.707 2.002 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000132982948 591754752 /nfs/dbraw/zinc/75/47/52/591754752.db2.gz ZNYFBEAZWTUVOT-KWQFWETISA-N 1 0 226.707 2.002 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000133276719 591781824 /nfs/dbraw/zinc/78/18/24/591781824.db2.gz JJRAESMBLGXORC-PMUOWJKOSA-N 1 0 240.347 2.040 10 0 BEAERO Cc1cc(C[NH2+]C[C@H](C)CO)ccc1Cl ZINC000134652411 591945543 /nfs/dbraw/zinc/94/55/43/591945543.db2.gz APPNYSAKXQEDIB-VIFPVBQESA-N 1 0 227.735 2.366 10 0 BEAERO O[C@@H](C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000134834242 591953169 /nfs/dbraw/zinc/95/31/69/591953169.db2.gz KSXQJIYKMNOSNX-DRZSPHRISA-N 1 0 209.333 2.022 10 0 BEAERO OCC1(C[NH2+]CCc2ccccc2)CCCC1 ZINC000135070771 591982583 /nfs/dbraw/zinc/98/25/83/591982583.db2.gz XYVJHLLQPDUVTD-UHFFFAOYSA-N 1 0 233.355 2.371 10 0 BEAERO C[C@H](O)CC[NH2+]Cc1cncc2ccccc21 ZINC000135379442 592010561 /nfs/dbraw/zinc/01/05/61/592010561.db2.gz MOLGCASMCGUQCD-NSHDSACASA-N 1 0 230.311 2.095 10 0 BEAERO C[C@H](CCO)[NH2+]Cc1cncc2ccccc21 ZINC000135379908 592010655 /nfs/dbraw/zinc/01/06/55/592010655.db2.gz SIIQFOACMZLHQK-LLVKDONJSA-N 1 0 230.311 2.095 10 0 BEAERO c1ccc2c(c1)cncc2C[NH2+][C@@H]1CCOC1 ZINC000135784128 592054472 /nfs/dbraw/zinc/05/44/72/592054472.db2.gz KIEOOMUBIKEJKM-CYBMUJFWSA-N 1 0 228.295 2.113 10 0 BEAERO CC(C)(CO)[NH2+]Cc1cncc2ccccc21 ZINC000135847824 592065024 /nfs/dbraw/zinc/06/50/24/592065024.db2.gz CGAFPNUWDAENJT-UHFFFAOYSA-N 1 0 230.311 2.095 10 0 BEAERO CCC[C@H]1CCCC[N@@H+]1C[C@@H](O)C1CC1 ZINC000219368294 592223178 /nfs/dbraw/zinc/22/31/78/592223178.db2.gz UZAQAJUIZIBOLC-QWHCGFSZSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@H]1CN(Cc2cncc3ccccc32)C[C@H]1[NH3+] ZINC000300086570 592502674 /nfs/dbraw/zinc/50/26/74/592502674.db2.gz KUDYTMZWJFJCEJ-XHDPSFHLSA-N 1 0 241.338 2.014 10 0 BEAERO CC(C)(C)CCc1noc([C@@H]2CCC[NH2+]2)n1 ZINC000300876585 592523881 /nfs/dbraw/zinc/52/38/81/592523881.db2.gz NXEDQABXHPONBJ-VIFPVBQESA-N 1 0 223.320 2.473 10 0 BEAERO FC1(F)CC[C@H](c2noc([C@@H]3CCC[NH2+]3)n2)C1 ZINC000302392740 592547819 /nfs/dbraw/zinc/54/78/19/592547819.db2.gz POTMBQVYXRLKIB-YUMQZZPRSA-N 1 0 243.257 2.397 10 0 BEAERO CCOC[C@H](C)[NH2+]Cc1ccc(Cl)cn1 ZINC000132970126 592739982 /nfs/dbraw/zinc/73/99/82/592739982.db2.gz HRJZLKPICUQHOG-VIFPVBQESA-N 1 0 228.723 2.250 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928142 634401570 /nfs/dbraw/zinc/40/15/70/634401570.db2.gz DJWZYRWAMKQSIS-KBPBESRZSA-N 1 0 245.370 2.143 10 0 BEAERO CCOC1CC([NH2+][C@@H](CC(C)C)CN(C)C)C1 ZINC000124474553 634425587 /nfs/dbraw/zinc/42/55/87/634425587.db2.gz QXYWFSIRGGOZGZ-MOKVOYLWSA-N 1 0 242.407 2.120 10 0 BEAERO [NH3+]CC[C@H]1CCN(c2nc3ccccc3o2)C1 ZINC000125463032 634508228 /nfs/dbraw/zinc/50/82/28/634508228.db2.gz MLVYJFNBENWARA-JTQLQIEISA-N 1 0 231.299 2.003 10 0 BEAERO CC(C)(C)Cc1noc(CC2CC[NH2+]CC2)n1 ZINC000093679555 634587454 /nfs/dbraw/zinc/58/74/54/634587454.db2.gz SHOZOQZGWBGDTL-UHFFFAOYSA-N 1 0 237.347 2.200 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000336782472 635281726 /nfs/dbraw/zinc/28/17/26/635281726.db2.gz XTNHCRDYOTXKJH-SEUFLZDSSA-N 1 0 223.291 2.198 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000336764587 635284451 /nfs/dbraw/zinc/28/44/51/635284451.db2.gz QGXQKSIZZBTQHN-HTQZYQBOSA-N 1 0 231.698 2.338 10 0 BEAERO C[C@H](CCc1ccsc1)[NH2+][C@@H](C)[C@H](C)O ZINC000336760557 635285373 /nfs/dbraw/zinc/28/53/73/635285373.db2.gz LTEAYPHBMMOCQU-VWYCJHECSA-N 1 0 227.373 2.428 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@H](C)CC2 ZINC000166520731 635295861 /nfs/dbraw/zinc/29/58/61/635295861.db2.gz YFKLWSTXJOHDLV-OBJOEFQTSA-N 1 0 239.359 2.356 10 0 BEAERO CC(C)[NH2+]CCc1nc([C@H]2CC2(C)C)no1 ZINC000225474311 635409455 /nfs/dbraw/zinc/40/94/55/635409455.db2.gz LLLHLMDOEIJMCO-SECBINFHSA-N 1 0 223.320 2.124 10 0 BEAERO COC1CC([NH2+][C@H](C)c2ccc(F)cn2)C1 ZINC000230673583 635490298 /nfs/dbraw/zinc/49/02/98/635490298.db2.gz WKKKDUMOFNZFGB-MFAVDMRSSA-N 1 0 224.279 2.049 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250828646 635500115 /nfs/dbraw/zinc/50/01/15/635500115.db2.gz PAKYLLWVKMUCED-RWMBFGLXSA-N 1 0 240.391 2.446 10 0 BEAERO CCCCCC[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000157948427 631381286 /nfs/dbraw/zinc/38/12/86/631381286.db2.gz LJRMBDXSUGDTBU-CQSZACIVSA-N 1 0 242.407 2.219 10 0 BEAERO CC(C)(C)Cc1noc(CCC(C)(C)[NH3+])n1 ZINC000082673384 631409181 /nfs/dbraw/zinc/40/91/81/631409181.db2.gz ORBVCALVJBMZMF-UHFFFAOYSA-N 1 0 225.336 2.328 10 0 BEAERO CC(C)C[C@@H](N)c1nc(-c2cncs2)no1 ZINC000083131619 631419473 /nfs/dbraw/zinc/41/94/73/631419473.db2.gz UWWKDJRXKPODBN-SSDOTTSWSA-N 1 0 238.316 2.239 10 0 BEAERO CCCc1noc(-c2csc([C@H](C)[NH3+])n2)n1 ZINC000085546964 631461707 /nfs/dbraw/zinc/46/17/07/631461707.db2.gz DWCGNWTYBXWTBN-LURJTMIESA-N 1 0 238.316 2.165 10 0 BEAERO ClC1(Cl)C[C@H]1C[NH2+]Cc1ccccn1 ZINC000308716983 631533772 /nfs/dbraw/zinc/53/37/72/631533772.db2.gz BSAZWRNKOKKRCT-QMMMGPOBSA-N 1 0 231.126 2.365 10 0 BEAERO CC(C)c1ccc(C(=O)NCC2CC([NH3+])C2)cc1 ZINC000091538492 631540577 /nfs/dbraw/zinc/54/05/77/631540577.db2.gz LXIQZTLGYGICLZ-UHFFFAOYSA-N 1 0 246.354 2.277 10 0 BEAERO C[N@H+](C[C@H](O)c1cc(F)ccc1F)CC1CC1 ZINC000051423416 631755905 /nfs/dbraw/zinc/75/59/05/631755905.db2.gz CHGVFDUNAZJSKL-ZDUSSCGKSA-N 1 0 241.281 2.340 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000308973510 631770012 /nfs/dbraw/zinc/77/00/12/631770012.db2.gz ANEBVNFIBYCSEU-DJIHRAIXSA-N 1 0 211.349 2.314 10 0 BEAERO CCc1ccc(Cn2cc[nH+]c2N)s1 ZINC000051716882 631886140 /nfs/dbraw/zinc/88/61/40/631886140.db2.gz GTCONONFOUQHNI-UHFFFAOYSA-N 1 0 207.302 2.138 10 0 BEAERO CCC1CCC(CNC(=[NH2+])NC2CC2)CC1 ZINC000052040522 632051097 /nfs/dbraw/zinc/05/10/97/632051097.db2.gz WREUHGIBKZCTHU-UHFFFAOYSA-N 1 0 223.364 2.479 10 0 BEAERO CCC[N@H+](Cc1ccc(N)nc1)C(C)C ZINC000050813139 632061818 /nfs/dbraw/zinc/06/18/18/632061818.db2.gz IIGXOSJJWCYRFR-UHFFFAOYSA-N 1 0 207.321 2.284 10 0 BEAERO C[C@@H](C[NH3+])c1noc(-c2ccc(Cl)cc2)n1 ZINC000054158727 635776721 /nfs/dbraw/zinc/77/67/21/635776721.db2.gz ROTQSKRPIPZYDV-ZETCQYMHSA-N 1 0 237.690 2.452 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309544524 632482718 /nfs/dbraw/zinc/48/27/18/632482718.db2.gz ZHLZYJWNZYBXIQ-XDQVBPFNSA-N 1 0 223.360 2.316 10 0 BEAERO COC1CC([NH2+][C@@H]2CS[C@@H](C(C)C)C2)C1 ZINC000308969153 632599400 /nfs/dbraw/zinc/59/94/00/632599400.db2.gz XYEQNASXVICAFC-POSLAHMBSA-N 1 0 229.389 2.284 10 0 BEAERO C[C@@H]1[NH2+]CC[C@@H]1c1nc([C@@H]2CC2(C)C)no1 ZINC000235278786 632606134 /nfs/dbraw/zinc/60/61/34/632606134.db2.gz WGCUIHVKOXJAHV-CIUDSAMLSA-N 1 0 221.304 2.049 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000309031377 632618593 /nfs/dbraw/zinc/61/85/93/632618593.db2.gz DZJMOEWAYGVFQZ-JGVFFNPUSA-N 1 0 231.698 2.338 10 0 BEAERO CC(C)(C)NC(=[NH2+])NCCC1CCCC1 ZINC000052042334 632781238 /nfs/dbraw/zinc/78/12/38/632781238.db2.gz TZOSKQAFVURNCX-UHFFFAOYSA-N 1 0 211.353 2.479 10 0 BEAERO [NH3+]CC[C@@H]1CCN(c2nccc3occc32)C1 ZINC000236196330 632897822 /nfs/dbraw/zinc/89/78/22/632897822.db2.gz GQINBPNQTQGCSI-SNVBAGLBSA-N 1 0 231.299 2.003 10 0 BEAERO CCCCCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000157958600 632926608 /nfs/dbraw/zinc/92/66/08/632926608.db2.gz LHBLFWSPEQHODE-RYUDHWBXSA-N 1 0 226.364 2.200 10 0 BEAERO c1cc2c([nH]1)CCC[C@H]2[NH2+][C@H]1CCCOC1 ZINC000309333090 632943738 /nfs/dbraw/zinc/94/37/38/632943738.db2.gz IJAJDYQQLGHDAS-GXFFZTMASA-N 1 0 220.316 2.161 10 0 BEAERO COC1CC([NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000310768278 632982807 /nfs/dbraw/zinc/98/28/07/632982807.db2.gz NKFHUHZDOYQPTN-UHFFFAOYSA-N 1 0 249.358 2.041 10 0 BEAERO COC[C@@H](C)C[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309405636 633021694 /nfs/dbraw/zinc/02/16/94/633021694.db2.gz AVPDPONBRSZRDO-GXFFZTMASA-N 1 0 222.332 2.264 10 0 BEAERO Cc1occc1-c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000165585486 633095143 /nfs/dbraw/zinc/09/51/43/633095143.db2.gz QZIPVNSOFQCDGW-SNVBAGLBSA-N 1 0 247.298 2.180 10 0 BEAERO C[C@@H](CC(C)(C)O)[NH2+]CCc1ccccc1 ZINC000309735010 633233317 /nfs/dbraw/zinc/23/33/17/633233317.db2.gz GGBAMOWCHVOXMP-LBPRGKRZSA-N 1 0 221.344 2.368 10 0 BEAERO CCC[N@H+](Cc1ccccc1)[C@@H](C)CO ZINC000306791171 635975683 /nfs/dbraw/zinc/97/56/83/635975683.db2.gz WNDSJCBXLCLHSP-LBPRGKRZSA-N 1 0 207.317 2.279 10 0 BEAERO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)[C@H](C)O ZINC000309894263 633911153 /nfs/dbraw/zinc/91/11/53/633911153.db2.gz FCUYWQNURIWFPB-XQQFMLRXSA-N 1 0 221.344 2.224 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309921425 633941716 /nfs/dbraw/zinc/94/17/16/633941716.db2.gz SHGVIMVKEZIRAI-DOERSZECSA-N 1 0 222.376 2.105 10 0 BEAERO CC[C@H](C)[C@@H](O)C[NH2+]CCc1ccccc1 ZINC000309878756 634034905 /nfs/dbraw/zinc/03/49/05/634034905.db2.gz UNESGBLJUPJAEC-JSGCOSHPSA-N 1 0 221.344 2.226 10 0 BEAERO Cc1ccc(-c2cnn(CC[NH3+])c2)c(F)c1F ZINC000310337715 634128580 /nfs/dbraw/zinc/12/85/80/634128580.db2.gz BYMGWOOUXMCKLL-UHFFFAOYSA-N 1 0 237.253 2.095 10 0 BEAERO CCCC[N@H+](CN1CCOC1=S)[C@@H](C)CC ZINC000123700566 634251739 /nfs/dbraw/zinc/25/17/39/634251739.db2.gz OCOZOAUHKWNWMR-NSHDSACASA-N 1 0 244.404 2.462 10 0 BEAERO C[C@H]1CCC[C@H]([NH2+]CCOC2CCOCC2)C1 ZINC000053590977 634256966 /nfs/dbraw/zinc/25/69/66/634256966.db2.gz YSRJSHQHIBBUGI-STQMWFEESA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)[C@@H](CO)C[NH2+]CCc1ccccc1 ZINC000258684707 635188171 /nfs/dbraw/zinc/18/81/71/635188171.db2.gz PSOMDXQTOGDUTE-CQSZACIVSA-N 1 0 221.344 2.083 10 0 BEAERO CCc1cccc(F)c1C[NH2+][C@H](C)[C@@H](C)O ZINC000336765931 635285495 /nfs/dbraw/zinc/28/54/95/635285495.db2.gz OQAABOZPELNCQY-NXEZZACHSA-N 1 0 225.307 2.247 10 0 BEAERO CC(C)(C)C(=O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000054026782 635331485 /nfs/dbraw/zinc/33/14/85/635331485.db2.gz IFYYINRNFCZRII-LBPRGKRZSA-N 1 0 241.375 2.229 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(CC)c1ccc(C)cc1 ZINC000223548530 635367978 /nfs/dbraw/zinc/36/79/78/635367978.db2.gz DVPKEPDYSLCFSX-CYBMUJFWSA-N 1 0 234.343 2.475 10 0 BEAERO CCOc1ccc(-c2nc([C@@H](C)C[NH3+])no2)cc1 ZINC000054158643 635774460 /nfs/dbraw/zinc/77/44/60/635774460.db2.gz DJDCVNPCDNGXLS-VIFPVBQESA-N 1 0 247.298 2.198 10 0 BEAERO CCOc1ccc(-c2nc([C@H](C)C[NH3+])no2)cc1 ZINC000054158644 635774578 /nfs/dbraw/zinc/77/45/78/635774578.db2.gz DJDCVNPCDNGXLS-SECBINFHSA-N 1 0 247.298 2.198 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000342186905 636327821 /nfs/dbraw/zinc/32/78/21/636327821.db2.gz FFRHWOWWBPWSOK-WDEREUQCSA-N 1 0 249.354 2.259 10 0 BEAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCCCCC1 ZINC000054290592 636338850 /nfs/dbraw/zinc/33/88/50/636338850.db2.gz HNGUWXZVVWQTIA-ZDUSSCGKSA-N 1 0 238.375 2.169 10 0 BEAERO CCCCC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291486 636338866 /nfs/dbraw/zinc/33/88/66/636338866.db2.gz HLIYLWAVXOQYFR-CHWSQXEVSA-N 1 0 240.391 2.461 10 0 BEAERO CN(C[C@H]1CCC2(CCCC2)C[NH2+]1)C1CC1 ZINC000669384684 636589702 /nfs/dbraw/zinc/58/97/02/636589702.db2.gz BDUCEYHVRQJCSQ-GFCCVEGCSA-N 1 0 222.376 2.393 10 0 BEAERO Cc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)o1 ZINC000083010403 636699763 /nfs/dbraw/zinc/69/97/63/636699763.db2.gz FEASKYLKMJCEPZ-QMMMGPOBSA-N 1 0 219.244 2.063 10 0 BEAERO Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC1 ZINC000040932622 636948234 /nfs/dbraw/zinc/94/82/34/636948234.db2.gz IBSVRPCZBYKJOI-UHFFFAOYSA-N 1 0 207.321 2.333 10 0 BEAERO C[N@H+](C[C@@H]1CCCCO1)C1(C[NH3+])CCCCC1 ZINC000042463791 637263623 /nfs/dbraw/zinc/26/36/23/637263623.db2.gz CJTDMYGUMIABKY-ZDUSSCGKSA-N 1 0 240.391 2.149 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C[C@H](C)O1 ZINC000251753864 637347147 /nfs/dbraw/zinc/34/71/47/637347147.db2.gz DHNKIGVRDVKJCH-RNJOBUHISA-N 1 0 227.348 2.101 10 0 BEAERO CC(C)(C)NC(=O)C[NH+]1CCCCCCC1 ZINC000042975759 637463189 /nfs/dbraw/zinc/46/31/89/637463189.db2.gz JLHFKALNYOYZQU-UHFFFAOYSA-N 1 0 226.364 2.167 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2nccnc2Cl)C1 ZINC000043538091 638555733 /nfs/dbraw/zinc/55/57/33/638555733.db2.gz LQVDSAPBUYKPDN-VIFPVBQESA-N 1 0 240.738 2.026 10 0 BEAERO CC[NH2+]CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000044290799 640173584 /nfs/dbraw/zinc/17/35/84/640173584.db2.gz OLCYAPKSFCFVRF-LLVKDONJSA-N 1 0 234.343 2.036 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNCc1ccoc1 ZINC000163786667 640418803 /nfs/dbraw/zinc/41/88/03/640418803.db2.gz AICUWBLHHKUCBA-NSHDSACASA-N 1 0 210.321 2.100 10 0 BEAERO CC(C)[NH2+]CC1(O)C2CC3CC(C2)CC1C3 ZINC000055028979 640432385 /nfs/dbraw/zinc/43/23/85/640432385.db2.gz QULCXPBSUCJXLI-UHFFFAOYSA-N 1 0 223.360 2.172 10 0 BEAERO [NH3+]CCCCCC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044678701 640452694 /nfs/dbraw/zinc/45/26/94/640452694.db2.gz WVIRLOYYDPKDRJ-KGLIPLIRSA-N 1 0 246.354 2.178 10 0 BEAERO CC(=O)[C@@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000164424981 640481306 /nfs/dbraw/zinc/48/13/06/640481306.db2.gz VAJFEHYRIMFADM-GFCCVEGCSA-N 1 0 227.348 2.103 10 0 BEAERO Cc1occc1-c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000165610497 640586090 /nfs/dbraw/zinc/58/60/90/640586090.db2.gz RDLSNAOJKLTVQF-ONGXEEELSA-N 1 0 247.298 2.480 10 0 BEAERO Cc1occc1-c1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000165610097 640587519 /nfs/dbraw/zinc/58/75/19/640587519.db2.gz RDLSNAOJKLTVQF-MWLCHTKSSA-N 1 0 247.298 2.480 10 0 BEAERO CCC[NH2+][C@@H](C)c1nc([C@H](OC)C2CC2)no1 ZINC000157228423 640640805 /nfs/dbraw/zinc/64/08/05/640640805.db2.gz NQNPJRXNJSBLRH-WCBMZHEXSA-N 1 0 239.319 2.228 10 0 BEAERO CCC[NH2+][C@H](C)c1nc([C@@H](OC)C2CC2)no1 ZINC000157228857 640641033 /nfs/dbraw/zinc/64/10/33/640641033.db2.gz NQNPJRXNJSBLRH-SCZZXKLOSA-N 1 0 239.319 2.228 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(CC)cc1 ZINC000166550214 640647537 /nfs/dbraw/zinc/64/75/37/640647537.db2.gz CSOTWLFJCQSDON-UONOGXRCSA-N 1 0 247.338 2.115 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]CC12CCC(C)(C)CC2 ZINC000166606798 640656080 /nfs/dbraw/zinc/65/60/80/640656080.db2.gz HYBHDKKSBPBIKS-NSHDSACASA-N 1 0 239.359 2.356 10 0 BEAERO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226226814 640741506 /nfs/dbraw/zinc/74/15/06/640741506.db2.gz WDSOBONAXPXLIE-RAIGVLPGSA-N 1 0 223.316 2.104 10 0 BEAERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000226736596 640791315 /nfs/dbraw/zinc/79/13/15/640791315.db2.gz PMFTUWRODRFDPY-IJLUTSLNSA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)(CO)[NH2+]CC/C=C\c1ccccc1 ZINC000323844216 640821325 /nfs/dbraw/zinc/82/13/25/640821325.db2.gz NXEKARHLJHPDDY-POHAHGRESA-N 1 0 219.328 2.450 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227881106 640851954 /nfs/dbraw/zinc/85/19/54/640851954.db2.gz TZBNMJDYWZTLOA-QJPTWQEYSA-N 1 0 226.364 2.199 10 0 BEAERO Cc1ccc(F)c2c1C[C@H]([C@H](C)[NH3+])CO2 ZINC000675064119 640961052 /nfs/dbraw/zinc/96/10/52/640961052.db2.gz VXVMCUMKNFKDHL-IUCAKERBSA-N 1 0 209.264 2.032 10 0 BEAERO C1C[C@@H](c2nc([C@@H]3CCCCS3)no2)C[NH2+]1 ZINC000087700433 640978540 /nfs/dbraw/zinc/97/85/40/640978540.db2.gz WBOSIKRPFDOPEU-BDAKNGLRSA-N 1 0 239.344 2.105 10 0 BEAERO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H](C)C(N)=O ZINC000062017013 641014780 /nfs/dbraw/zinc/01/47/80/641014780.db2.gz LTXQPVHWEQKVQY-BDAKNGLRSA-N 1 0 240.734 2.207 10 0 BEAERO CC(C)[NH+](CCNCc1ccoc1)C(C)C ZINC000062103381 641019942 /nfs/dbraw/zinc/01/99/42/641019942.db2.gz ABOJDPOOEPIVGE-UHFFFAOYSA-N 1 0 224.348 2.488 10 0 BEAERO c1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)co1 ZINC000062103353 641020270 /nfs/dbraw/zinc/02/02/70/641020270.db2.gz IWSUJPSATYKYCO-GFCCVEGCSA-N 1 0 245.278 2.209 10 0 BEAERO c1cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)co1 ZINC000062103523 641021240 /nfs/dbraw/zinc/02/12/40/641021240.db2.gz PSUCYSUGWCRPBK-ZDUSSCGKSA-N 1 0 229.279 2.373 10 0 BEAERO Cc1n[nH]cc1CCC[NH2+]Cc1ccoc1 ZINC000062103587 641022426 /nfs/dbraw/zinc/02/24/26/641022426.db2.gz LMOPGSYXWBHWLW-UHFFFAOYSA-N 1 0 219.288 2.034 10 0 BEAERO CC1CCC(c2noc([C@@H]3CC[NH2+]C3)n2)CC1 ZINC000062119790 641024062 /nfs/dbraw/zinc/02/40/62/641024062.db2.gz UWNJIWUFRCGOAL-VQXHTEKXSA-N 1 0 235.331 2.440 10 0 BEAERO [NH3+]CCCNc1nc2ccc(F)cc2s1 ZINC000062202095 641025382 /nfs/dbraw/zinc/02/53/82/641025382.db2.gz SGOFYBBWWHCYBU-UHFFFAOYSA-N 1 0 225.292 2.196 10 0 BEAERO c1csc(Cc2nc(C3CC[NH2+]CC3)no2)c1 ZINC000062253666 641029097 /nfs/dbraw/zinc/02/90/97/641029097.db2.gz QOCHKJJXFRSNHT-UHFFFAOYSA-N 1 0 249.339 2.189 10 0 BEAERO CCCC[NH2+]CCCc1c(C)nn(C)c1C ZINC000062808287 641092881 /nfs/dbraw/zinc/09/28/81/641092881.db2.gz SHBNVVFPVJIBRA-UHFFFAOYSA-N 1 0 223.364 2.359 10 0 BEAERO CCC[C@H](OC)c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000230927071 641114412 /nfs/dbraw/zinc/11/44/12/641114412.db2.gz UIGJYUIHZXNVCG-UTLUCORTSA-N 1 0 239.319 2.152 10 0 BEAERO CCCCCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084507 641127071 /nfs/dbraw/zinc/12/70/71/641127071.db2.gz AHXRJIMXBGDLDW-LLVKDONJSA-N 1 0 237.347 2.344 10 0 BEAERO CCCCCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084506 641127907 /nfs/dbraw/zinc/12/79/07/641127907.db2.gz AHXRJIMXBGDLDW-NSHDSACASA-N 1 0 237.347 2.344 10 0 BEAERO CC[C@H](C)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084481 641127974 /nfs/dbraw/zinc/12/79/74/641127974.db2.gz IIQZGTPKBOBZQG-VHSXEESVSA-N 1 0 223.320 2.125 10 0 BEAERO C[C@@H]([NH3+])Cc1nc([C@H]2CCc3ccccc32)no1 ZINC000087997491 641212277 /nfs/dbraw/zinc/21/22/77/641212277.db2.gz QTPVSUKHVZGENB-SKDRFNHKSA-N 1 0 243.310 2.037 10 0 BEAERO CC(C)C[C@@H](O)C[NH2+]CCc1ccccc1 ZINC000232011889 641227380 /nfs/dbraw/zinc/22/73/80/641227380.db2.gz QIOXASSXEQYWJX-CQSZACIVSA-N 1 0 221.344 2.226 10 0 BEAERO c1cc2c(c(C3CCOCC3)c1)CC[NH2+]C2 ZINC000232455555 641272707 /nfs/dbraw/zinc/27/27/07/641272707.db2.gz SRSYUBFRTUBZOP-UHFFFAOYSA-N 1 0 217.312 2.226 10 0 BEAERO CC[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000042013594 641547926 /nfs/dbraw/zinc/54/79/26/641547926.db2.gz YJDDIYRRNIEXDG-SNVBAGLBSA-N 1 0 230.315 2.360 10 0 BEAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](CC)C(C)C ZINC000042592631 641556604 /nfs/dbraw/zinc/55/66/04/641556604.db2.gz XQFOYFQGPGEIIY-ZYHUDNBSSA-N 1 0 214.353 2.055 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N[C@H](CC)C(C)C ZINC000042592628 641556735 /nfs/dbraw/zinc/55/67/35/641556735.db2.gz XQFOYFQGPGEIIY-PWSUYJOCSA-N 1 0 214.353 2.055 10 0 BEAERO Cc1cc(N(C)Cc2ccc(F)cc2)nc(N)[nH+]1 ZINC000043532728 641565771 /nfs/dbraw/zinc/56/57/71/641565771.db2.gz YPRFNEKCVWSVPY-UHFFFAOYSA-N 1 0 246.289 2.143 10 0 BEAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000044286271 641592082 /nfs/dbraw/zinc/59/20/82/641592082.db2.gz XPPXINYZHRDLBL-VIFPVBQESA-N 1 0 240.734 2.127 10 0 BEAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000044286246 641593616 /nfs/dbraw/zinc/59/36/16/641593616.db2.gz PEZQDXONVHRCKN-VIFPVBQESA-N 1 0 240.734 2.127 10 0 BEAERO Cn1cc(-c2csc(C3([NH3+])CCCC3)n2)cn1 ZINC000044495471 641602657 /nfs/dbraw/zinc/60/26/57/641602657.db2.gz SIGYFEXYPFGXRI-UHFFFAOYSA-N 1 0 248.355 2.272 10 0 BEAERO Cc1nc(CN(C)CCCCCC[NH3+])cs1 ZINC000044609929 641605353 /nfs/dbraw/zinc/60/53/53/641605353.db2.gz HGQQUTUKBNCZAH-UHFFFAOYSA-N 1 0 241.404 2.402 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089385570 641672525 /nfs/dbraw/zinc/67/25/25/641672525.db2.gz FDHBVMBVEMZZDO-STQMWFEESA-N 1 0 240.391 2.400 10 0 BEAERO C[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089385537 641673733 /nfs/dbraw/zinc/67/37/33/641673733.db2.gz NEFQIERABLKVOU-UPJWGTAASA-N 1 0 238.375 2.010 10 0 BEAERO C/C=C(\CC)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000188022611 641740281 /nfs/dbraw/zinc/74/02/81/641740281.db2.gz ZMFSTONIGNOHQE-YQJFHSMKSA-N 1 0 238.375 2.285 10 0 BEAERO c1ccc2c(c1)CN(CCC[NH2+]C1CC1)C2 ZINC000050911892 642365167 /nfs/dbraw/zinc/36/51/67/642365167.db2.gz IHJJNXPKHFOVPE-UHFFFAOYSA-N 1 0 216.328 2.144 10 0 BEAERO C[C@H](NC(=O)CCCCC[NH3+])C1CCCC1 ZINC000069805610 642410061 /nfs/dbraw/zinc/41/00/61/642410061.db2.gz BOSOBHIWKUKVTK-NSHDSACASA-N 1 0 226.364 2.200 10 0 BEAERO CC(C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000306365936 642741275 /nfs/dbraw/zinc/74/12/75/642741275.db2.gz JIXPGXYALQOZQK-SNVBAGLBSA-N 1 0 230.352 2.240 10 0 BEAERO CCCCOC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000170901581 642833082 /nfs/dbraw/zinc/83/30/82/642833082.db2.gz XZCXXTBYFCOAAB-NSHDSACASA-N 1 0 245.388 2.157 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2=O)o1 ZINC000182579161 643031293 /nfs/dbraw/zinc/03/12/93/643031293.db2.gz PGUCFCBOHRUQNW-MNOVXSKESA-N 1 0 237.299 2.192 10 0 BEAERO Cc1ccncc1NCC1CC[NH+](C)CC1 ZINC000070958515 643088186 /nfs/dbraw/zinc/08/81/86/643088186.db2.gz WVCDEBZHPSBEOY-UHFFFAOYSA-N 1 0 219.332 2.144 10 0 BEAERO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000183154433 643092725 /nfs/dbraw/zinc/09/27/25/643092725.db2.gz ABIDIGMWKRZYAV-HZMBPMFUSA-N 1 0 248.301 2.354 10 0 BEAERO CCN(c1nc2ccccc2s1)[C@@H]1CC[NH2+]C1 ZINC000071314448 643126391 /nfs/dbraw/zinc/12/63/91/643126391.db2.gz IKIRJCZJFDMQQA-SNVBAGLBSA-N 1 0 247.367 2.485 10 0 BEAERO CC[C@H](C)C(=O)c1nc(C)c(C[NH2+]C)s1 ZINC000757122010 643239490 /nfs/dbraw/zinc/23/94/90/643239490.db2.gz DEQCDTQKVRSVAV-ZETCQYMHSA-N 1 0 226.345 2.400 10 0 BEAERO [NH3+][C@H](CF)c1ccc(F)cc1OC(F)F ZINC000757136023 643276471 /nfs/dbraw/zinc/27/64/71/643276471.db2.gz YCLGKFZCOHWCSU-SSDOTTSWSA-N 1 0 223.169 2.396 10 0 BEAERO [NH3+]Cc1ccc(-c2nc(CC3CCC3)no2)o1 ZINC000306095313 643297790 /nfs/dbraw/zinc/29/77/90/643297790.db2.gz MBFAYODVXZYARX-UHFFFAOYSA-N 1 0 233.271 2.131 10 0 BEAERO CC1CCC2(CC1)[NH2+]CC1(CCOCC1)CO2 ZINC000757141912 643304195 /nfs/dbraw/zinc/30/41/95/643304195.db2.gz LKNZCPMMYLZGMR-UHFFFAOYSA-N 1 0 239.359 2.309 10 0 BEAERO [NH3+]C[C@@H]1CCN1Cc1c(F)cccc1Cl ZINC000757149148 643334701 /nfs/dbraw/zinc/33/47/01/643334701.db2.gz XYTFXLYPUIOLRJ-QMMMGPOBSA-N 1 0 228.698 2.012 10 0 BEAERO Cc1cc(C[C@H](O)C[NH+](C)C)ccc1Cl ZINC000757149468 643335731 /nfs/dbraw/zinc/33/57/31/643335731.db2.gz CZJKAZVFFWHFSK-NSHDSACASA-N 1 0 227.735 2.113 10 0 BEAERO C[C@@H]1CCOC2(CC(C)(C)[NH2+]C(C)(C)C2)N1 ZINC000757149590 643335948 /nfs/dbraw/zinc/33/59/48/643335948.db2.gz PPVQTWOTNOUAIH-SNVBAGLBSA-N 1 0 226.364 2.022 10 0 BEAERO CC[C@@H](C)c1noc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000082563168 643342733 /nfs/dbraw/zinc/34/27/33/643342733.db2.gz KVEAUCVCALROQB-RKDXNWHRSA-N 1 0 225.336 2.499 10 0 BEAERO CC[C@@H](C)c1noc(CC[NH2+]C(C)C)n1 ZINC000082561084 643343466 /nfs/dbraw/zinc/34/34/66/643343466.db2.gz AMIDJFZCVKJPAD-SECBINFHSA-N 1 0 211.309 2.124 10 0 BEAERO Clc1ccc(CSC2C[NH2+]C2)o1 ZINC000757171434 643354549 /nfs/dbraw/zinc/35/45/49/643354549.db2.gz TWFXEONKIKWFKG-UHFFFAOYSA-N 1 0 203.694 2.138 10 0 BEAERO Cc1cc(-c2cccc(CC[NH3+])c2)on1 ZINC000082913886 643386016 /nfs/dbraw/zinc/38/60/16/643386016.db2.gz ZLHGARKGUBBRFV-UHFFFAOYSA-N 1 0 202.257 2.151 10 0 BEAERO C[C@@H](c1nc(CC(C)(C)C)no1)[C@H](C)[NH3+] ZINC000082675377 643520241 /nfs/dbraw/zinc/52/02/41/643520241.db2.gz WQYFBOCFIJMHBY-SFYZADRCSA-N 1 0 211.309 2.109 10 0 BEAERO Cc1cccc(C)c1C[NH2+]C(C)(C)CO ZINC000083345247 643530119 /nfs/dbraw/zinc/53/01/19/643530119.db2.gz CTMDFRDCBOQOHU-UHFFFAOYSA-N 1 0 207.317 2.164 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000307620733 643537229 /nfs/dbraw/zinc/53/72/29/643537229.db2.gz FQKQMRPMVCWWFR-VHSXEESVSA-N 1 0 242.363 2.288 10 0 BEAERO Cc1ccccc1[C@H](O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000044171105 643542487 /nfs/dbraw/zinc/54/24/87/643542487.db2.gz QASIPKFYLXKUBS-DZGCQCFKSA-N 1 0 249.354 2.139 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000049948756 643564041 /nfs/dbraw/zinc/56/40/41/643564041.db2.gz WKHBOKZVTYQEMC-QWHCGFSZSA-N 1 0 223.291 2.483 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000049948912 643567112 /nfs/dbraw/zinc/56/71/12/643567112.db2.gz VRTRPCUJTYETBK-QWHCGFSZSA-N 1 0 205.301 2.344 10 0 BEAERO CN(CCC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000049965506 643571285 /nfs/dbraw/zinc/57/12/85/643571285.db2.gz FRLMWYJDNPGCFV-UHFFFAOYSA-N 1 0 222.307 2.404 10 0 BEAERO CCC(CC)NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301229 643657021 /nfs/dbraw/zinc/65/70/21/643657021.db2.gz ICKCQACGOHWOTG-CMPLNLGQSA-N 1 0 226.364 2.056 10 0 BEAERO CC(C)c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305426 643657405 /nfs/dbraw/zinc/65/74/05/643657405.db2.gz DONYDMCVDYVFJP-BDAKNGLRSA-N 1 0 209.293 2.035 10 0 BEAERO CC(=O)[C@@H]1CCCN(Cc2ccn(C(C)C)n2)C1 ZINC000085161810 643689816 /nfs/dbraw/zinc/68/98/16/643689816.db2.gz RBJCSCPLKGVPNX-CYBMUJFWSA-N 1 0 249.358 2.265 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000050375789 643693464 /nfs/dbraw/zinc/69/34/64/643693464.db2.gz LLMCXTRPQLTPTH-KGLIPLIRSA-N 1 0 234.343 2.256 10 0 BEAERO O[C@@H]1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000085972660 643868869 /nfs/dbraw/zinc/86/88/69/643868869.db2.gz QANOFHMIJKAWKE-LSDHHAIUSA-N 1 0 233.355 2.370 10 0 BEAERO C[C@@H]1[NH2+]CC[C@@H]1c1nc(CC(C)(C)C)no1 ZINC000086258858 643975610 /nfs/dbraw/zinc/97/56/10/643975610.db2.gz UQNYMIKIYNBBQX-IUCAKERBSA-N 1 0 223.320 2.124 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc(O)c1 ZINC000193181841 644220164 /nfs/dbraw/zinc/22/01/64/644220164.db2.gz WTOBAWICTHFKPD-LEWSCRJBSA-N 1 0 235.327 2.346 10 0 BEAERO CC(C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)=C1CCCC1 ZINC000193549889 644253438 /nfs/dbraw/zinc/25/34/38/644253438.db2.gz OKOZTHASGLGSIY-DGCLKSJQSA-N 1 0 236.359 2.134 10 0 BEAERO CCCc1noc([C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000084300351 644422451 /nfs/dbraw/zinc/42/24/51/644422451.db2.gz AVLXFZSUDBPBTA-UWVGGRQHSA-N 1 0 223.320 2.255 10 0 BEAERO CCCc1noc([C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000084300350 644423738 /nfs/dbraw/zinc/42/37/38/644423738.db2.gz AVLXFZSUDBPBTA-VHSXEESVSA-N 1 0 223.320 2.255 10 0 BEAERO CCCCN(CC)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089386281 644546337 /nfs/dbraw/zinc/54/63/37/644546337.db2.gz ODSVLHKMPIYMAC-OLZOCXBDSA-N 1 0 240.391 2.400 10 0 BEAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccccc1 ZINC000089385678 644547124 /nfs/dbraw/zinc/54/71/24/644547124.db2.gz UBRDVZFIEITCKD-KBPBESRZSA-N 1 0 246.354 2.068 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089461262 644551543 /nfs/dbraw/zinc/55/15/43/644551543.db2.gz FUBDGFWVNOLVTM-OCCSQVGLSA-N 1 0 246.354 2.333 10 0 BEAERO COC(=O)[C@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC000303315354 644816515 /nfs/dbraw/zinc/81/65/15/644816515.db2.gz NDPAUTMABMOHDQ-YPMHNXCESA-N 1 0 239.359 2.308 10 0 BEAERO C[C@@H]1CCC[C@@H](c2noc([C@H]3CC[NH2+]C3)n2)C1 ZINC000251869932 644828599 /nfs/dbraw/zinc/82/85/99/644828599.db2.gz QMAFZVVHNMMXFE-MXWKQRLJSA-N 1 0 235.331 2.440 10 0 BEAERO C/C=C(/C)C[NH2+][C@@H]1CC(=O)N(CC(C)(C)C)C1 ZINC000096865412 644843404 /nfs/dbraw/zinc/84/34/04/644843404.db2.gz DLGIDEXMDSOLAR-HUMZTAOYSA-N 1 0 238.375 2.189 10 0 BEAERO C[NH2+]Cc1sc(C(=O)C(C)(C)F)nc1C ZINC000757123158 644863767 /nfs/dbraw/zinc/86/37/67/644863767.db2.gz ILHZDHDIQIPLHU-UHFFFAOYSA-N 1 0 230.308 2.102 10 0 BEAERO C[C@@H]1C[C@@H](c2cccc3cc[nH]c32)NC[C@H]1[NH3+] ZINC000757214070 644864394 /nfs/dbraw/zinc/86/43/94/644864394.db2.gz MFSVBNSPLIDWHG-WQAKAFBOSA-N 1 0 229.327 2.166 10 0 BEAERO Cc1ccc(N)cc1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000757241695 644865075 /nfs/dbraw/zinc/86/50/75/644865075.db2.gz XUXAKVMLPPEHIS-WDEREUQCSA-N 1 0 204.317 2.433 10 0 BEAERO Cc1cccnc1-c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000097068078 644867648 /nfs/dbraw/zinc/86/76/48/644867648.db2.gz MZYOGDKSJKHWCD-UWVGGRQHSA-N 1 0 244.298 2.035 10 0 BEAERO C[C@@H](Cc1ccco1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304283707 644886181 /nfs/dbraw/zinc/88/61/81/644886181.db2.gz XUCKSBVDCRXHHR-CMPLNLGQSA-N 1 0 225.332 2.207 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)C(C)C)[C@H]1OC ZINC000252792844 644907368 /nfs/dbraw/zinc/90/73/68/644907368.db2.gz WEKTVDBJSQGAHI-WUHRBBMRSA-N 1 0 229.364 2.203 10 0 BEAERO CCC[NH2+][C@@H](C)c1nc(CC2CCC2)no1 ZINC000304677260 644926073 /nfs/dbraw/zinc/92/60/73/644926073.db2.gz YCNIBAHRDQBPJK-VIFPVBQESA-N 1 0 223.320 2.473 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCC1CC1 ZINC000253081350 644935131 /nfs/dbraw/zinc/93/51/31/644935131.db2.gz WFXQHBJPFIBXPL-JSGCOSHPSA-N 1 0 222.376 2.345 10 0 BEAERO CN(Cc1ccc(Cl)cc1)Cn1cnnc1 ZINC000118971838 645701955 /nfs/dbraw/zinc/70/19/55/645701955.db2.gz ZZDZOLLGYOIVMO-UHFFFAOYSA-N 1 0 236.706 2.021 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncc(Cl)cc1F ZINC000129553014 645840860 /nfs/dbraw/zinc/84/08/60/645840860.db2.gz QTRLXCXQOIDVRE-XVKPBYJWSA-N 1 0 243.713 2.427 10 0 BEAERO CC(C)(O)C[NH2+][C@H]1CCSC(C)(C)C1 ZINC000725668211 711668894 /nfs/dbraw/zinc/66/88/94/711668894.db2.gz WTJMXVNRWKXYQY-VIFPVBQESA-N 1 0 217.378 2.021 10 0 BEAERO CCO[C@H]1CCC[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000721166788 711688382 /nfs/dbraw/zinc/68/83/82/711688382.db2.gz JYTPVKVTQXJFSC-IGJPJIBNSA-N 1 0 227.348 2.101 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2cc(C)oc2C)C1 ZINC000709180512 712204496 /nfs/dbraw/zinc/20/44/96/712204496.db2.gz IVRLRGWVTVLNDD-CYBMUJFWSA-N 1 0 222.332 2.080 10 0 BEAERO Cc1cnc(N(C)CCCCCC[NH3+])nc1C ZINC000710804052 712257254 /nfs/dbraw/zinc/25/72/54/712257254.db2.gz KPSMXDMOOCJEPL-UHFFFAOYSA-N 1 0 236.363 2.049 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000713525626 712464364 /nfs/dbraw/zinc/46/43/64/712464364.db2.gz FFBCVGJRKGWFTG-VXGBXAGGSA-N 1 0 243.391 2.188 10 0 BEAERO COCC1CC([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000713958735 712475030 /nfs/dbraw/zinc/47/50/30/712475030.db2.gz JJUBVWVHAZAFRR-HTAVTVPLSA-N 1 0 241.375 2.347 10 0 BEAERO COCC1CC([NH2+]C[C@H]2CC=CCC2)C1 ZINC000713997164 712476826 /nfs/dbraw/zinc/47/68/26/712476826.db2.gz RQPPTTPUMAAOOP-HIFPTAJRSA-N 1 0 209.333 2.357 10 0 BEAERO CCCCC[C@H](C)NC(=O)[C@@H]([NH3+])CCC ZINC000036873379 712506385 /nfs/dbraw/zinc/50/63/85/712506385.db2.gz CTTXLIRDCFOXEJ-QWRGUYRKSA-N 1 0 214.353 2.199 10 0 BEAERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000037142628 712551830 /nfs/dbraw/zinc/55/18/30/712551830.db2.gz ATRGTQHXGBEUKY-LBPRGKRZSA-N 1 0 240.391 2.268 10 0 BEAERO CC1(C)CO[C@H](CC[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000717274637 712641554 /nfs/dbraw/zinc/64/15/54/712641554.db2.gz STCFDQQOEPNJKH-JHJVBQTASA-N 1 0 241.375 2.085 10 0 BEAERO CC(F)(F)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000718669596 712776712 /nfs/dbraw/zinc/77/67/12/712776712.db2.gz DTRSTDVPIIPGQT-JTQLQIEISA-N 1 0 221.291 2.126 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000718788145 712782806 /nfs/dbraw/zinc/78/28/06/712782806.db2.gz JNXZYMIYEZFFFE-DGAVXFQQSA-N 1 0 241.375 2.227 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@@H]1CNC(=O)C1 ZINC000719235943 712800649 /nfs/dbraw/zinc/80/06/49/712800649.db2.gz INQZWRCBWUYULL-NEPJUHHUSA-N 1 0 238.375 2.071 10 0 BEAERO Cn1nncc1C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719285314 712803530 /nfs/dbraw/zinc/80/35/30/712803530.db2.gz IDVZXIQEWLZUII-GFCCVEGCSA-N 1 0 236.363 2.264 10 0 BEAERO Cn1cnnc1C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719288016 712803599 /nfs/dbraw/zinc/80/35/99/712803599.db2.gz PMQQPDVPHCLSDN-LLVKDONJSA-N 1 0 236.363 2.264 10 0 BEAERO CC(C)C1([NH2+]CCc2ccns2)CC1 ZINC000719863608 712824801 /nfs/dbraw/zinc/82/48/01/712824801.db2.gz WEYUVXWFBRUBCG-UHFFFAOYSA-N 1 0 210.346 2.464 10 0 BEAERO C[C@H](CCCCO)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000720166682 712828710 /nfs/dbraw/zinc/82/87/10/712828710.db2.gz OSMAGQNRIHQTSD-MGPQQGTHSA-N 1 0 241.375 2.086 10 0 BEAERO CCO[C@H]1CCC[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000721166811 712894023 /nfs/dbraw/zinc/89/40/23/712894023.db2.gz JYTPVKVTQXJFSC-QCXCNERSSA-N 1 0 227.348 2.101 10 0 BEAERO Cc1cnc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000724084989 710736455 /nfs/dbraw/zinc/73/64/55/710736455.db2.gz GSWBKRIFIQWGCF-UONOGXRCSA-N 1 0 247.386 2.176 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C)CC1(C)C ZINC000380598166 712901774 /nfs/dbraw/zinc/90/17/74/712901774.db2.gz YPODZNZISZIZLZ-WDEREUQCSA-N 1 0 226.364 2.007 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@H](C)CC1(C)C ZINC000380598153 712901978 /nfs/dbraw/zinc/90/19/78/712901978.db2.gz YPODZNZISZIZLZ-GHMZBOCLSA-N 1 0 226.364 2.007 10 0 BEAERO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCC(=O)N1)C(C)C ZINC000380727377 712902702 /nfs/dbraw/zinc/90/27/02/712902702.db2.gz POYYWLLGPFSFBK-WOPDTQHZSA-N 1 0 226.364 2.068 10 0 BEAERO CC[C@H]([NH2+][C@@H](C)C[C@H]1CCC(=O)N1)C(C)C ZINC000380727372 712902716 /nfs/dbraw/zinc/90/27/16/712902716.db2.gz POYYWLLGPFSFBK-TUAOUCFPSA-N 1 0 226.364 2.068 10 0 BEAERO CCC(CC)Cc1nc([C@@H](C)C[NH3+])no1 ZINC000381043784 710598578 /nfs/dbraw/zinc/59/85/78/710598578.db2.gz CTWARDQBCGGNTE-QMMMGPOBSA-N 1 0 211.309 2.111 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711116994 711457506 /nfs/dbraw/zinc/45/75/06/711457506.db2.gz DVCXQANQSXPNNR-WJTVCTBASA-N 1 0 209.333 2.332 10 0 BEAERO Cc1cc(C)nc(CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000723845285 711538838 /nfs/dbraw/zinc/53/88/38/711538838.db2.gz GUMBKNKSYWBIDT-OAHLLOKOSA-N 1 0 247.386 2.272 10 0 BEAERO Cc1c[nH+]ccc1N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723870047 711541168 /nfs/dbraw/zinc/54/11/68/711541168.db2.gz XBILHJZVWJJPDY-ZFWWWQNUSA-N 1 0 246.354 2.429 10 0 BEAERO Cc1cnc(C[NH2+]C[C@@H](O)C(C)(C)C)c(C)c1 ZINC000724095124 711560488 /nfs/dbraw/zinc/56/04/88/711560488.db2.gz HGFCQITXMVXZLE-CYBMUJFWSA-N 1 0 236.359 2.195 10 0 BEAERO CO[C@@H]1CC[C@H]1[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000724189997 711567635 /nfs/dbraw/zinc/56/76/35/711567635.db2.gz WGZHDJVRVPRDEK-KFWWJZLASA-N 1 0 249.354 2.003 10 0 BEAERO C[C@@H]1CC(C[NH2+][C@@H]2COCC2(C)C)C[C@@H](C)O1 ZINC000724265118 711573146 /nfs/dbraw/zinc/57/31/46/711573146.db2.gz RROAQDYVJQPXMB-NQBHXWOUSA-N 1 0 241.375 2.205 10 0 BEAERO Cc1nc(C)c(C[NH2+]C2(C(C)C)CC2)[nH]1 ZINC000724778797 711613061 /nfs/dbraw/zinc/61/30/61/711613061.db2.gz UDDHYZOOYREWPW-UHFFFAOYSA-N 1 0 207.321 2.305 10 0 BEAERO COC(=O)[C@H]1C[N@H+](CCCC(C)(F)F)C[C@H]1C ZINC000718587927 711661902 /nfs/dbraw/zinc/66/19/02/711661902.db2.gz SIDFRFNLAUXOAC-ZJUUUORDSA-N 1 0 249.301 2.163 10 0 BEAERO COC(=O)[C@@H]1C[N@H+](CCCC(C)(F)F)C[C@@H]1C ZINC000718587926 711661967 /nfs/dbraw/zinc/66/19/67/711661967.db2.gz SIDFRFNLAUXOAC-VHSXEESVSA-N 1 0 249.301 2.163 10 0 BEAERO CCCCCC[C@H](O)C[NH2+]C(C)(C)COC ZINC000309705327 711662675 /nfs/dbraw/zinc/66/26/75/711662675.db2.gz OGWSXVZJOMSIOH-LBPRGKRZSA-N 1 0 231.380 2.332 10 0 BEAERO Cl/C=C\CN1CC[C@H](Oc2cccnc2)C1 ZINC000255780654 711664921 /nfs/dbraw/zinc/66/49/21/711664921.db2.gz XWYPOGKEXJICPE-PZBKNZOISA-N 1 0 238.718 2.287 10 0 BEAERO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000219168562 711748306 /nfs/dbraw/zinc/74/83/06/711748306.db2.gz RCYLOUQTIVCWFO-VXGBXAGGSA-N 1 0 237.372 2.240 10 0 BEAERO CC1(C)C[C@@H]1c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000225430402 711756492 /nfs/dbraw/zinc/75/64/92/711756492.db2.gz UERJOJFKBLTWDY-NXEZZACHSA-N 1 0 235.331 2.125 10 0 BEAERO C[C@@H]1CCC[C@H]1c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000225421180 711756505 /nfs/dbraw/zinc/75/65/05/711756505.db2.gz MRJSBCIDXVMKTO-GMTAPVOTSA-N 1 0 235.331 2.440 10 0 BEAERO Cc1ccc(CCc2nc([C@@H](C)C[NH3+])no2)cc1 ZINC000054158519 711766124 /nfs/dbraw/zinc/76/61/24/711766124.db2.gz NCAXVVLHTUYASP-NSHDSACASA-N 1 0 245.326 2.225 10 0 BEAERO C[C@@H](C[NH2+][C@@H]1CCCSC1)N1CCCCC1 ZINC000061588820 711839023 /nfs/dbraw/zinc/83/90/23/711839023.db2.gz COZMWTRXIIQDGG-QWHCGFSZSA-N 1 0 242.432 2.346 10 0 BEAERO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC000721994571 711863236 /nfs/dbraw/zinc/86/32/36/711863236.db2.gz MAZMIOTVKCIADX-GARJFASQSA-N 1 0 224.304 2.059 10 0 BEAERO CC(C)C[C@@H]([NH3+])Cc1nc(-c2ccco2)no1 ZINC000132159723 711955991 /nfs/dbraw/zinc/95/59/91/711955991.db2.gz PBLHWTVALFXNGS-SECBINFHSA-N 1 0 235.287 2.246 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000360996893 711978632 /nfs/dbraw/zinc/97/86/32/711978632.db2.gz LYIUJXGHMIDHNA-BHDSKKPTSA-N 1 0 235.327 2.129 10 0 BEAERO CC1(C)[C@H]([NH2+][C@@H]2C=CCC2)[C@@H]2CCO[C@@H]21 ZINC000700502744 711995035 /nfs/dbraw/zinc/99/50/35/711995035.db2.gz MXGXZXVUUOTTRF-KXNHARMFSA-N 1 0 207.317 2.108 10 0 BEAERO Cc1ncc(CN[C@@H]2COc3ccccc32)o1 ZINC000700828540 712007899 /nfs/dbraw/zinc/00/78/99/712007899.db2.gz ACYPBKITTYUKHD-GFCCVEGCSA-N 1 0 230.267 2.206 10 0 BEAERO CC[C@H](C)c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701679450 712026815 /nfs/dbraw/zinc/02/68/15/712026815.db2.gz DZASHLMHNYIBSP-KWBADKCTSA-N 1 0 235.331 2.224 10 0 BEAERO CC1(C)C[C@H]1c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701693627 712027921 /nfs/dbraw/zinc/02/79/21/712027921.db2.gz MPHWQTXCOGBHIA-BHDSKKPTSA-N 1 0 247.342 2.224 10 0 BEAERO CC1(C)C[C@@H]1c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701693630 712028051 /nfs/dbraw/zinc/02/80/51/712028051.db2.gz MPHWQTXCOGBHIA-RBZYPMLTSA-N 1 0 247.342 2.224 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@]1(C)CC1(C)C ZINC000702339595 712047521 /nfs/dbraw/zinc/04/75/21/712047521.db2.gz SMGITSBKXINDOD-OCCSQVGLSA-N 1 0 243.391 2.190 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1nnc(C)[nH]1)[C@@H]1C[C@H]1C ZINC000321925882 712080659 /nfs/dbraw/zinc/08/06/59/712080659.db2.gz RTYYAHKQUHHGRL-OYBPUVFXSA-N 1 0 222.336 2.198 10 0 BEAERO Cc1cocc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000705217904 712124895 /nfs/dbraw/zinc/12/48/95/712124895.db2.gz KSBAEKFCNGERJF-SNVBAGLBSA-N 1 0 247.298 2.180 10 0 BEAERO O[C@@H](C[N@@H+]1C[C@H]2CCC[C@H]21)c1ccccc1 ZINC000706782468 712155480 /nfs/dbraw/zinc/15/54/80/712155480.db2.gz BKLGRIJUNVIROX-MCIONIFRSA-N 1 0 217.312 2.204 10 0 BEAERO CSC1CC([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000706881158 712158455 /nfs/dbraw/zinc/15/84/55/712158455.db2.gz ZUWJSYGNLOJFDE-PMUOWJKOSA-N 1 0 215.362 2.038 10 0 BEAERO CSC1CC([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000706926832 712161435 /nfs/dbraw/zinc/16/14/35/712161435.db2.gz CQACAYZNGXIUSA-WNYYMSAVSA-N 1 0 229.389 2.428 10 0 BEAERO CSC1CC(Nc2cc[nH+]c(C)c2)C1 ZINC000708255658 712184640 /nfs/dbraw/zinc/18/46/40/712184640.db2.gz BOPMILUDFCXMLB-UHFFFAOYSA-N 1 0 208.330 2.118 10 0 BEAERO CSC1CC([NH2+]Cc2nc(C)c(C)[nH]2)C1 ZINC000709029464 712206077 /nfs/dbraw/zinc/20/60/77/712206077.db2.gz NGAYTLTZKAHMCU-UHFFFAOYSA-N 1 0 225.361 2.010 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000709122928 712209417 /nfs/dbraw/zinc/20/94/17/712209417.db2.gz DZJPFLGDXBXKHP-NMKXLXIOSA-N 1 0 238.375 2.199 10 0 BEAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1nccc3occc31)C2 ZINC000709803866 712227187 /nfs/dbraw/zinc/22/71/87/712227187.db2.gz RHVRAGFXBXVPIM-AXFHLTTASA-N 1 0 243.310 2.144 10 0 BEAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1nccc3occc31)C2 ZINC000709803867 712227379 /nfs/dbraw/zinc/22/73/79/712227379.db2.gz RHVRAGFXBXVPIM-DCAQKATOSA-N 1 0 243.310 2.144 10 0 BEAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(Cl)cn1)C2 ZINC000709800471 712227569 /nfs/dbraw/zinc/22/75/69/712227569.db2.gz QDPHSCXGMGXKDN-LSJOCFKGSA-N 1 0 237.734 2.051 10 0 BEAERO CC1(C)C[NH2+]C[C@H]1c1nc([C@@H]2CC23CC3)no1 ZINC000710930384 712266252 /nfs/dbraw/zinc/26/62/52/712266252.db2.gz LHSXVZVGAIMTHA-IUCAKERBSA-N 1 0 233.315 2.050 10 0 BEAERO CC[C@@H](C)c1noc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000711076056 712279080 /nfs/dbraw/zinc/27/90/80/712279080.db2.gz VGOJNUTXBYLCLC-RKDXNWHRSA-N 1 0 223.320 2.296 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711413136 712298795 /nfs/dbraw/zinc/29/87/95/712298795.db2.gz ICCPOJVBDFGOLP-NWDGAFQWSA-N 1 0 241.375 2.085 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711817737 712332683 /nfs/dbraw/zinc/33/26/83/712332683.db2.gz NTMOGAZYYUOVFI-JQWIXIFHSA-N 1 0 219.332 2.496 10 0 BEAERO CC1CCC(C[NH2+]C[C@@H]2CCN2C)CC1 ZINC000712616317 712438598 /nfs/dbraw/zinc/43/85/98/712438598.db2.gz YPRBQKSFMADLBG-BPCQOVAHSA-N 1 0 210.365 2.106 10 0 BEAERO C=C/C=C/CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000713739900 712470504 /nfs/dbraw/zinc/47/05/04/712470504.db2.gz RLUZCAWUIURDIU-WEHDMVHDSA-N 1 0 220.360 2.287 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2ccc(F)cn2)C1 ZINC000713954244 712474609 /nfs/dbraw/zinc/47/46/09/712474609.db2.gz ZFXRGMWRUZKXMO-BMQDGWLCSA-N 1 0 238.306 2.296 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2ccc(F)cn2)C1 ZINC000713954245 712474671 /nfs/dbraw/zinc/47/46/71/712474671.db2.gz ZFXRGMWRUZKXMO-GRZMOONWSA-N 1 0 238.306 2.296 10 0 BEAERO COCC1CC([NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000713977424 712475690 /nfs/dbraw/zinc/47/56/90/712475690.db2.gz GKOBLPWFIOBGJD-VOBJUBJWSA-N 1 0 229.389 2.285 10 0 BEAERO COCC1CC([NH2+][C@@H](C)c2cscn2)C1 ZINC000714006158 712477039 /nfs/dbraw/zinc/47/70/39/712477039.db2.gz GBMJECLKBMVZEH-IDKOKCKLSA-N 1 0 226.345 2.219 10 0 BEAERO COCC1CC([NH2+][C@H](C)c2ccccn2)C1 ZINC000714006342 712477124 /nfs/dbraw/zinc/47/71/24/712477124.db2.gz HUCJFKDTMXOIQK-VOMCLLRMSA-N 1 0 220.316 2.157 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000714329043 712482280 /nfs/dbraw/zinc/48/22/80/712482280.db2.gz FEXNPOHDYQLJQK-JHJVBQTASA-N 1 0 241.375 2.037 10 0 BEAERO CC(C)(C[NH3+])C1CCN(c2ccccn2)CC1 ZINC000714479795 712491619 /nfs/dbraw/zinc/49/16/19/712491619.db2.gz KOVPEEXVTPPLMT-UHFFFAOYSA-N 1 0 233.359 2.283 10 0 BEAERO CCCc1nccnc1N1CCC([NH3+])(CC)CC1 ZINC000714751921 712497154 /nfs/dbraw/zinc/49/71/54/712497154.db2.gz KGEFMLFMNMYTRH-UHFFFAOYSA-N 1 0 248.374 2.137 10 0 BEAERO CCC1([NH3+])CCN([C@H](C)c2nccs2)CC1 ZINC000714757859 712497705 /nfs/dbraw/zinc/49/77/05/712497705.db2.gz LCVPWVVCTYZVOP-SNVBAGLBSA-N 1 0 239.388 2.407 10 0 BEAERO Oc1cccc2c1CC[C@H]2[NH2+]CCOC1CC1 ZINC000715026708 712503848 /nfs/dbraw/zinc/50/38/48/712503848.db2.gz GGUAIONBPJLYPV-CYBMUJFWSA-N 1 0 233.311 2.148 10 0 BEAERO [NH3+][C@H]1C[C@H](CNc2cccc(C(F)(F)F)n2)C1 ZINC000715098389 712508716 /nfs/dbraw/zinc/50/87/16/712508716.db2.gz ZPDZUWXLOJYFNS-ZKCHVHJHSA-N 1 0 245.248 2.250 10 0 BEAERO [NH3+][C@H]1C[C@@H](CNc2ncc(Cl)cc2F)C1 ZINC000715123393 712511044 /nfs/dbraw/zinc/51/10/44/712511044.db2.gz QQSJUSIHIVZJOI-WRXNHJIOSA-N 1 0 229.686 2.023 10 0 BEAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715841228 712532921 /nfs/dbraw/zinc/53/29/21/712532921.db2.gz HVSUKOPBLYORNP-ZJUUUORDSA-N 1 0 210.325 2.044 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715829295 712533925 /nfs/dbraw/zinc/53/39/25/712533925.db2.gz YQQYGUOSNMRCFZ-QJPTWQEYSA-N 1 0 229.389 2.165 10 0 BEAERO CC[C@H]([NH2+][C@H](C)c1cn(C)nn1)C1CCC1 ZINC000715876955 712538468 /nfs/dbraw/zinc/53/84/68/712538468.db2.gz JBWUSDJZVOKVRG-KOLCDFICSA-N 1 0 222.336 2.044 10 0 BEAERO Cc1n[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1C ZINC000716448303 712561567 /nfs/dbraw/zinc/56/15/67/712561567.db2.gz UEZQGGIHYGRVEM-QJPTWQEYSA-N 1 0 219.332 2.305 10 0 BEAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716686261 712569728 /nfs/dbraw/zinc/56/97/28/712569728.db2.gz WNEHRAXTDMDHKX-YYJSSNLHSA-N 1 0 238.375 2.055 10 0 BEAERO CC[C@H]1CCC[C@@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716683205 712569734 /nfs/dbraw/zinc/56/97/34/712569734.db2.gz HURMUIXGNOFYGX-ZFDZMSFRSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716685213 712569781 /nfs/dbraw/zinc/56/97/81/712569781.db2.gz RUEPUFJNBYPIOE-CQLXCSJHSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@@H](C[NH2+]C1CC(C(N)=O)C1)C1CCCCC1 ZINC000716685798 712569838 /nfs/dbraw/zinc/56/98/38/712569838.db2.gz VSNGIPIPAZPOQZ-PKSQDBQZSA-N 1 0 238.375 2.056 10 0 BEAERO CC1(C)CCC[C@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716683183 712570064 /nfs/dbraw/zinc/57/00/64/712570064.db2.gz GWQVCLCFKUKELW-CXQJBGSLSA-N 1 0 238.375 2.199 10 0 BEAERO CCC[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CC1(C)C ZINC000716718597 712570679 /nfs/dbraw/zinc/57/06/79/712570679.db2.gz XRWVQSPRMQAVQM-QQFIATSDSA-N 1 0 238.375 2.055 10 0 BEAERO [NH3+]C1(CNc2nccc3cccnc32)CCCC1 ZINC000716915602 712581949 /nfs/dbraw/zinc/58/19/49/712581949.db2.gz JFGZCUYXMJZZGS-UHFFFAOYSA-N 1 0 242.326 2.313 10 0 BEAERO C[C@H]1CC[C@H](Nc2nccc3cccnc32)C[NH2+]1 ZINC000716918550 712582363 /nfs/dbraw/zinc/58/23/63/712582363.db2.gz QJEDURGECZFGMF-JQWIXIFHSA-N 1 0 242.326 2.182 10 0 BEAERO C[C@H](NC(=O)CC[NH2+]CC1CC1)C1CCCC1 ZINC000717144421 712636713 /nfs/dbraw/zinc/63/67/13/712636713.db2.gz OOMIZIDAUZJYEL-NSHDSACASA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000380063433 712684448 /nfs/dbraw/zinc/68/44/48/712684448.db2.gz BJUHHCLIEZZDQA-GRYCIOLGSA-N 1 0 209.333 2.191 10 0 BEAERO Cc1coc(C[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000718044368 712737984 /nfs/dbraw/zinc/73/79/84/712737984.db2.gz NQVINKGIDWOAOG-YPMHNXCESA-N 1 0 223.316 2.229 10 0 BEAERO C[C@@H](NC(=O)CC1CCCC1)C1CC[NH2+]CC1 ZINC000037865040 712777159 /nfs/dbraw/zinc/77/71/59/712777159.db2.gz OQXNKGBDXIUHSC-LLVKDONJSA-N 1 0 238.375 2.071 10 0 BEAERO COCC1CC([NH2+][C@H]2CCC[C@H](OC)CC2)C1 ZINC000718811799 712783670 /nfs/dbraw/zinc/78/36/70/712783670.db2.gz PKQQBEMGRMNICL-YIOUJQMASA-N 1 0 241.375 2.349 10 0 BEAERO CC(C)[C@@H]([NH3+])CNc1ccnc2ncccc12 ZINC000718931075 712788562 /nfs/dbraw/zinc/78/85/62/712788562.db2.gz WJWRKNXPLXVBIQ-NSHDSACASA-N 1 0 230.315 2.025 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccnc2ncccc12 ZINC000718930728 712788587 /nfs/dbraw/zinc/78/85/87/712788587.db2.gz QGUMNHMUTHHEAF-GXFFZTMASA-N 1 0 242.326 2.040 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccnc3ncccc23)C1 ZINC000718928128 712789732 /nfs/dbraw/zinc/78/97/32/712789732.db2.gz AQAQYZBMAAUZGD-WDEREUQCSA-N 1 0 242.326 2.169 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ccnc3ncccc23)C[NH2+]1 ZINC000718989402 712792367 /nfs/dbraw/zinc/79/23/67/712792367.db2.gz MEKBLRIUOYVMSC-MNOVXSKESA-N 1 0 242.326 2.182 10 0 BEAERO C[C@@H]1CC[C@@H](Nc2ccnc3ncccc23)C[NH2+]1 ZINC000718989400 712792483 /nfs/dbraw/zinc/79/24/83/712792483.db2.gz MEKBLRIUOYVMSC-GHMZBOCLSA-N 1 0 242.326 2.182 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C/C=C\CO ZINC000719209430 712800235 /nfs/dbraw/zinc/80/02/35/712800235.db2.gz YQCYMXMSXBPYEP-DGMVEKRQSA-N 1 0 211.349 2.483 10 0 BEAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000719222809 712800732 /nfs/dbraw/zinc/80/07/32/712800732.db2.gz DGIPBTCXDQDYBO-JSGCOSHPSA-N 1 0 241.375 2.086 10 0 BEAERO C1[C@@H]2C[C@@H](c3nc(C4CC[NH2+]CC4)no3)C[C@H]12 ZINC000250826384 712834867 /nfs/dbraw/zinc/83/48/67/712834867.db2.gz HRLRMEXDZCSCGU-JGPRNRPPSA-N 1 0 233.315 2.050 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nocc1C ZINC000720365993 712835944 /nfs/dbraw/zinc/83/59/44/712835944.db2.gz GJYVBCXZDQNBAS-CHWSQXEVSA-N 1 0 249.358 2.042 10 0 BEAERO CC[C@H](C[NH2+][C@H](C)c1cn(C)nn1)CC(F)F ZINC000720522809 712848815 /nfs/dbraw/zinc/84/88/15/712848815.db2.gz GPFGGWGYHOQCMJ-BDAKNGLRSA-N 1 0 246.305 2.147 10 0 BEAERO CC(C)C[C@H](C)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720584377 712854584 /nfs/dbraw/zinc/85/45/84/712854584.db2.gz RAWIRTGUIMJDDC-QWRGUYRKSA-N 1 0 224.352 2.148 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC12CCC2)c1cn(C)nn1 ZINC000720592199 712855805 /nfs/dbraw/zinc/85/58/05/712855805.db2.gz UMVXUZVWBGQXNS-JQWIXIFHSA-N 1 0 234.347 2.189 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCCC12CCC2)c1cn(C)nn1 ZINC000720592205 712856004 /nfs/dbraw/zinc/85/60/04/712856004.db2.gz UMVXUZVWBGQXNS-ZYHUDNBSSA-N 1 0 234.347 2.189 10 0 BEAERO C(c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1)C1CC[NH2+]CC1 ZINC000720711815 712861955 /nfs/dbraw/zinc/86/19/55/712861955.db2.gz HJPRSWZHKGQKAC-ZSBIGDGJSA-N 1 0 247.342 2.125 10 0 BEAERO C[NH2+]CCN(c1ccc(Cl)cn1)C(C)C ZINC000720825599 712868129 /nfs/dbraw/zinc/86/81/29/712868129.db2.gz KMGQBCSTLXVYFG-UHFFFAOYSA-N 1 0 227.739 2.169 10 0 BEAERO C[NH2+]CCN(c1ccnc2cccnc21)C(C)C ZINC000720825412 712868494 /nfs/dbraw/zinc/86/84/94/712868494.db2.gz YIJUEJAKBFEETJ-UHFFFAOYSA-N 1 0 244.342 2.064 10 0 BEAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(Cl)cn1 ZINC000721073627 712889947 /nfs/dbraw/zinc/88/99/47/712889947.db2.gz LDNDXKLEYSHCFR-NXEZZACHSA-N 1 0 239.750 2.393 10 0 BEAERO Cc1nc(CNc2cc[nH+]cc2)cs1 ZINC000041011169 1165754299 /nfs/dbraw/zinc/75/42/99/1165754299.db2.gz AIDTWOJNRCNUKK-UHFFFAOYSA-N 1 0 205.286 2.459 10 0 BEAERO Cc1ccccc1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000115625446 1166023072 /nfs/dbraw/zinc/02/30/72/1166023072.db2.gz UYIGLASNGGGFIA-HNNXBMFYSA-N 1 0 249.354 2.280 10 0 BEAERO CC(C)CC[NH2+]Cc1cnccc1N(C)C ZINC000134997746 1168255744 /nfs/dbraw/zinc/25/57/44/1168255744.db2.gz FWRJRPMHJNMMRM-UHFFFAOYSA-N 1 0 221.348 2.283 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1C(=O)N1CCCCCCC1 ZINC000055086776 1169142927 /nfs/dbraw/zinc/14/29/27/1169142927.db2.gz XWSPNTAPTZGDKD-OLZOCXBDSA-N 1 0 238.375 2.297 10 0 BEAERO CCC[C@H](C)N(C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055087656 1169143327 /nfs/dbraw/zinc/14/33/27/1169143327.db2.gz ZKFZXFIBIOGHTR-TUAOUCFPSA-N 1 0 226.364 2.151 10 0 BEAERO Cc1[nH+]c2c(n1Cc1ccc(N)nc1)CCCC2 ZINC000216932400 971694137 /nfs/dbraw/zinc/69/41/37/971694137.db2.gz PKJIDQIDHYYODY-UHFFFAOYSA-N 1 0 242.326 2.096 10 0 BEAERO CCC[NH2+]Cc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000051174846 958409421 /nfs/dbraw/zinc/40/94/21/958409421.db2.gz RWSKMJBFJAZKHB-UHFFFAOYSA-N 1 0 244.342 2.384 10 0 BEAERO CCC[C@](C)([NH3+])C(=O)N1[C@H](C)CC[C@@H]1CC ZINC000136138462 960128589 /nfs/dbraw/zinc/12/85/89/960128589.db2.gz VZLZFRANGZOPNY-MDZLAQPJSA-N 1 0 226.364 2.293 10 0 BEAERO C[C@H]([NH2+]CC(C)(C)c1ccccc1)C(=O)N(C)C ZINC000037935098 1170992342 /nfs/dbraw/zinc/99/23/42/1170992342.db2.gz UCBWCTNSJBYQOQ-LBPRGKRZSA-N 1 0 248.370 2.031 10 0 BEAERO c1ccc2c(c1)C[C@@H](CNc1cc[nH+]cc1)O2 ZINC000038010173 1171001802 /nfs/dbraw/zinc/00/18/02/1171001802.db2.gz BROKPZDYEWNKMR-ZDUSSCGKSA-N 1 0 226.279 2.497 10 0 BEAERO CC[C@H](C)[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC000038116693 1171023001 /nfs/dbraw/zinc/02/30/01/1171023001.db2.gz CUZPHJYPSGWKHC-UFBFGSQYSA-N 1 0 229.270 2.386 10 0 BEAERO Cc1ncc(C[NH2+]C[C@@H]2CCCCN2C)s1 ZINC000044562068 1171392491 /nfs/dbraw/zinc/39/24/91/1171392491.db2.gz BKEOWCMVZWRRII-NSHDSACASA-N 1 0 239.388 2.025 10 0 BEAERO CCc1ccc(C[NH2+]C[C@H]2CCCCN2C)o1 ZINC000051724962 1171911615 /nfs/dbraw/zinc/91/16/15/1171911615.db2.gz TZYRYCNENYHRMS-GFCCVEGCSA-N 1 0 236.359 2.416 10 0 BEAERO CCc1ccccc1C[NH2+]CCn1cccn1 ZINC000052203041 1171946445 /nfs/dbraw/zinc/94/64/45/1171946445.db2.gz REFTVCLRGDCYPM-UHFFFAOYSA-N 1 0 229.327 2.235 10 0 BEAERO CC(C)C1CCC2(CC1)C(=O)CCN2C ZINC000685953442 538898175 /nfs/dbraw/zinc/89/81/75/538898175.db2.gz HDXYDHSUBHAMSL-UHFFFAOYSA-N 1 0 209.333 2.476 10 0 BEAERO C/C=C/COCC(F)(F)CNC(C)C ZINC000685956118 538902169 /nfs/dbraw/zinc/90/21/69/538902169.db2.gz MYXZBLDPKRFBFU-SNAWJCMRSA-N 1 0 207.264 2.212 10 0 BEAERO CC(C)(C)CCCOCC(F)(F)C[NH3+] ZINC000685956110 538902172 /nfs/dbraw/zinc/90/21/72/538902172.db2.gz MWQLKENCOLLBJL-UHFFFAOYSA-N 1 0 209.280 2.423 10 0 BEAERO C[C@@H]([NH3+])c1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685956704 538902841 /nfs/dbraw/zinc/90/28/41/538902841.db2.gz ZNLHUVJSQXQUDJ-SCSAIBSYSA-N 1 0 240.521 2.323 10 0 BEAERO CCNCC(F)(F)CO[C@H](C)C(C)C ZINC000685957110 538903902 /nfs/dbraw/zinc/90/39/02/538903902.db2.gz MVWHWYVXQGGGCO-SECBINFHSA-N 1 0 209.280 2.292 10 0 BEAERO CC[C@@]1(C(=O)OC(C)(C)C)CCC[C@H]1[NH3+] ZINC000685958639 538905906 /nfs/dbraw/zinc/90/59/06/538905906.db2.gz BZGSIAAHBVWINA-BXKDBHETSA-N 1 0 213.321 2.236 10 0 BEAERO CCC(C)(CC)[NH2+]Cc1cnn(C)c1C ZINC000138173703 168311173 /nfs/dbraw/zinc/31/11/73/168311173.db2.gz ABVIHAVEAYYXIE-UHFFFAOYSA-N 1 0 209.337 2.397 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000685959765 538907243 /nfs/dbraw/zinc/90/72/43/538907243.db2.gz RVTTZEIBHASZGJ-VDDIYKPWSA-N 1 0 213.321 2.092 10 0 BEAERO CC[C@@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960306 538907867 /nfs/dbraw/zinc/90/78/67/538907867.db2.gz DCBFCMWNNFCWAZ-LLVKDONJSA-N 1 0 205.301 2.391 10 0 BEAERO CC[C@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960307 538907896 /nfs/dbraw/zinc/90/78/96/538907896.db2.gz DCBFCMWNNFCWAZ-NSHDSACASA-N 1 0 205.301 2.391 10 0 BEAERO CC(C)C[NH2+]CC[C@@H](CO)C1CCCC1 ZINC000685963295 538909801 /nfs/dbraw/zinc/90/98/01/538909801.db2.gz LKZWSTXBPAJWNS-ZDUSSCGKSA-N 1 0 213.365 2.421 10 0 BEAERO C[NH2+]CC[C@H](CO)C1CCC(C)(C)CC1 ZINC000685963106 538909954 /nfs/dbraw/zinc/90/99/54/538909954.db2.gz GLFNISHVBLYWTI-GFCCVEGCSA-N 1 0 213.365 2.421 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@@H](C)c1ccccc1 ZINC000685963110 538910195 /nfs/dbraw/zinc/91/01/95/538910195.db2.gz GLVVHPIFTZZYCN-WCQYABFASA-N 1 0 207.317 2.008 10 0 BEAERO Cc1cc(C)n([C@H](c2ccco2)[C@H](C)[NH3+])n1 ZINC000043336376 177931796 /nfs/dbraw/zinc/93/17/96/177931796.db2.gz JYIMJUJDTGPGMY-JQWIXIFHSA-N 1 0 219.288 2.030 10 0 BEAERO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000378684132 346807532 /nfs/dbraw/zinc/80/75/32/346807532.db2.gz AAIZHZBCYSWJTG-NQBHXWOUSA-N 1 0 220.316 2.218 10 0 BEAERO CCCc1cccc([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965610 538912275 /nfs/dbraw/zinc/91/22/75/538912275.db2.gz LDPYQMUJUQIXJD-KGLIPLIRSA-N 1 0 218.344 2.043 10 0 BEAERO Cc1cc(C)nc(S[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000051607729 177947961 /nfs/dbraw/zinc/94/79/61/177947961.db2.gz DHHQOGSIRGTVCA-MNOVXSKESA-N 1 0 237.372 2.313 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2nccc3ccccc32)C1 ZINC000616595159 398142295 /nfs/dbraw/zinc/14/22/95/398142295.db2.gz RGRDUXPKABYTSG-CYBMUJFWSA-N 1 0 242.322 2.280 10 0 BEAERO Cc1cc(CCCCCN2CC[NH2+]CC2)c(C)[nH]1 ZINC000107294366 177961360 /nfs/dbraw/zinc/96/13/60/177961360.db2.gz DUPPDCBPMZVUKZ-UHFFFAOYSA-N 1 0 249.402 2.250 10 0 BEAERO CCC(CC)(C[NH2+]C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000051209749 168325186 /nfs/dbraw/zinc/32/51/86/168325186.db2.gz GFSRYYSLOCBPTD-CHWSQXEVSA-N 1 0 242.407 2.121 10 0 BEAERO C[C@H]([NH3+])Cc1csc(-c2cscn2)n1 ZINC000165792966 343979000 /nfs/dbraw/zinc/97/90/00/343979000.db2.gz VCXHVSAZWBNBMR-LURJTMIESA-N 1 0 225.342 2.156 10 0 BEAERO c1nnoc1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000616612167 349484519 /nfs/dbraw/zinc/48/45/19/349484519.db2.gz UCRZBWRLSIDXCU-GFCCVEGCSA-N 1 0 229.283 2.059 10 0 BEAERO CCC(CC)C(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000019843790 168332093 /nfs/dbraw/zinc/33/20/93/168332093.db2.gz VTMKQMHZWHXSPP-ZDUSSCGKSA-N 1 0 240.391 2.413 10 0 BEAERO CC[C@](C)([NH3+])c1nc(-c2cccs2)cc(=O)[nH]1 ZINC000071372504 398147718 /nfs/dbraw/zinc/14/77/18/398147718.db2.gz UFWAIXYMBNFHNX-LBPRGKRZSA-N 1 0 249.339 2.082 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062901327 349496151 /nfs/dbraw/zinc/49/61/51/349496151.db2.gz SUXGTKNWRBQZJK-MBNYWOFBSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000307398488 398159659 /nfs/dbraw/zinc/15/96/59/398159659.db2.gz UAJYBKBWUDLHJN-NSHDSACASA-N 1 0 217.316 2.053 10 0 BEAERO Cc1cc(C[NH2+]Cc2cccnc2)c(C)n1C ZINC000052789730 178027237 /nfs/dbraw/zinc/02/72/37/178027237.db2.gz HKPAJOHOQJTSJK-UHFFFAOYSA-N 1 0 229.327 2.327 10 0 BEAERO Cc1cc(C[NH2+][C@H](C)[C@@H](C)CO)c(C)s1 ZINC000131264342 178037494 /nfs/dbraw/zinc/03/74/94/178037494.db2.gz VTSZCQODNPLZQE-WCBMZHEXSA-N 1 0 227.373 2.471 10 0 BEAERO Cc1cc(C[NH2+][C@H](C)[C@H](C)CO)c(C)s1 ZINC000131264732 178037591 /nfs/dbraw/zinc/03/75/91/178037591.db2.gz VTSZCQODNPLZQE-PSASIEDQSA-N 1 0 227.373 2.471 10 0 BEAERO Cc1cc(CO)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061645497 178045826 /nfs/dbraw/zinc/04/58/26/178045826.db2.gz USNMFQMCEFNSKA-CQSZACIVSA-N 1 0 248.370 2.018 10 0 BEAERO CCCN(CC(C)C)C(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000390630359 398177997 /nfs/dbraw/zinc/17/79/97/398177997.db2.gz IMPYYGJNJNNLEI-NWDGAFQWSA-N 1 0 228.380 2.254 10 0 BEAERO CCC[C@H](CC)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000336664811 398178287 /nfs/dbraw/zinc/17/82/87/398178287.db2.gz CXQIQQZYRSKIPW-RWMBFGLXSA-N 1 0 212.381 2.495 10 0 BEAERO Cc1cc(COc2ccc(CC[NH3+])cc2)no1 ZINC000037720394 178048929 /nfs/dbraw/zinc/04/89/29/178048929.db2.gz SNEYDGAPNUVSHC-UHFFFAOYSA-N 1 0 232.283 2.063 10 0 BEAERO Cc1cc(COc2ccc(C[C@H](C)[NH3+])cc2)no1 ZINC000037723725 178049284 /nfs/dbraw/zinc/04/92/84/178049284.db2.gz MAGQHTYNVGCFRO-JTQLQIEISA-N 1 0 246.310 2.452 10 0 BEAERO C[C@H]1C[NH2+][C@H](c2ccc(O)c(F)c2)S1 ZINC000232448131 398179070 /nfs/dbraw/zinc/17/90/70/398179070.db2.gz INOSUDMLJCMQAZ-WKEGUHRASA-N 1 0 213.277 2.255 10 0 BEAERO C[C@H]1C[NH2+][C@@H](c2ccc(O)c(F)c2)S1 ZINC000232448127 398179243 /nfs/dbraw/zinc/17/92/43/398179243.db2.gz INOSUDMLJCMQAZ-QUBYGPBYSA-N 1 0 213.277 2.255 10 0 BEAERO C[N@@H+]1CC[C@@H](c2cccc3nnccc32)C1 ZINC000616612319 349513589 /nfs/dbraw/zinc/51/35/89/349513589.db2.gz BCNGANIAZHZXDW-SNVBAGLBSA-N 1 0 213.284 2.049 10 0 BEAERO Cc1cc(Cl)cc(C)c1NC1=[NH+]CCN1 ZINC000026170197 178063616 /nfs/dbraw/zinc/06/36/16/178063616.db2.gz SRBFGEGMJHTMJP-UHFFFAOYSA-N 1 0 223.707 2.328 10 0 BEAERO Cc1cc(Cl)ccc1N1CC[C@@H]([NH3+])C1 ZINC000033427014 178068133 /nfs/dbraw/zinc/06/81/33/178068133.db2.gz FMVOQJMYGPZSJX-SNVBAGLBSA-N 1 0 210.708 2.186 10 0 BEAERO Cc1cc(Cl)cn2cc([C@H](C)[NH3+])nc12 ZINC000076793170 178070696 /nfs/dbraw/zinc/07/06/96/178070696.db2.gz BKEZQOVHYSSDDA-ZETCQYMHSA-N 1 0 209.680 2.316 10 0 BEAERO Cc1cc(Cl)nc(SC[C@H]2CCC[NH2+]2)n1 ZINC000095069426 178071127 /nfs/dbraw/zinc/07/11/27/178071127.db2.gz NYJOCGRLIZTACD-MRVPVSSYSA-N 1 0 243.763 2.283 10 0 BEAERO Cc1cc(N2CCCO[C@H](C)C2)ccc1CC[NH3+] ZINC000104254182 178114587 /nfs/dbraw/zinc/11/45/87/178114587.db2.gz PEKJZBWHYSUYOV-CYBMUJFWSA-N 1 0 248.370 2.111 10 0 BEAERO Cc1cc([C@@]2(F)CC[C@@H]([NH3+])C2)sn1 ZINC000306426763 398190759 /nfs/dbraw/zinc/19/07/59/398190759.db2.gz WPEBLQDAEVXGFU-VXNVDRBHSA-N 1 0 200.282 2.128 10 0 BEAERO Cc1cc(N(C)C)ccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061985059 178095500 /nfs/dbraw/zinc/09/55/00/178095500.db2.gz XYVMZEUJMLIHIM-GFCCVEGCSA-N 1 0 233.359 2.177 10 0 BEAERO Cc1cc(N(C)C2CC[NH+](C)CC2)ccc1N ZINC000035082276 178097618 /nfs/dbraw/zinc/09/76/18/178097618.db2.gz HYRQLNBJZSXMEU-UHFFFAOYSA-N 1 0 233.359 2.108 10 0 BEAERO Cc1ccoc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000093437591 398194069 /nfs/dbraw/zinc/19/40/69/398194069.db2.gz KEWNWTKCJCKRSC-STQMWFEESA-N 1 0 234.343 2.257 10 0 BEAERO Cc1cc(N)ccc1NC(=O)CC[NH+]1CCCC1 ZINC000022155645 178105911 /nfs/dbraw/zinc/10/59/11/178105911.db2.gz UVWXETVYXVSAHY-UHFFFAOYSA-N 1 0 247.342 2.002 10 0 BEAERO Cc1cc(N)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061642879 178105928 /nfs/dbraw/zinc/10/59/28/178105928.db2.gz KWLABVVLSHXNDI-CYBMUJFWSA-N 1 0 233.359 2.108 10 0 BEAERO Cc1cc(N)ccc1SC1CC[NH2+]CC1 ZINC000043501305 178107271 /nfs/dbraw/zinc/10/72/71/178107271.db2.gz DEDLEJPOWYSBFT-UHFFFAOYSA-N 1 0 222.357 2.421 10 0 BEAERO Cc1cc(N)ccc1SC[C@@H]1CCC[NH2+]1 ZINC000043497545 178107629 /nfs/dbraw/zinc/10/76/29/178107629.db2.gz NORXKPVAOVMPMJ-NSHDSACASA-N 1 0 222.357 2.421 10 0 BEAERO Cc1cc(N)ccc1S[C@H]1CCC[NH2+]C1 ZINC000043501750 178108184 /nfs/dbraw/zinc/10/81/84/178108184.db2.gz KEPQPFGWHWXIPY-NSHDSACASA-N 1 0 222.357 2.421 10 0 BEAERO Cc1cccc([C@H](C[NH3+])C2(CO)CCC2)c1 ZINC000536954127 398197925 /nfs/dbraw/zinc/19/79/25/398197925.db2.gz OLBHCNXXTQQGKY-ZDUSSCGKSA-N 1 0 219.328 2.200 10 0 BEAERO [NH3+]C[C@@H](c1ccccc1F)C1(CO)CCCC1 ZINC000536954024 398197931 /nfs/dbraw/zinc/19/79/31/398197931.db2.gz NBOALQSPOMUXQL-LBPRGKRZSA-N 1 0 237.318 2.421 10 0 BEAERO Cc1cc(N2CC[NH2+][C@@H](C)CC2)ccc1F ZINC000061122295 178116636 /nfs/dbraw/zinc/11/66/36/178116636.db2.gz JQLDGTWSGLFURC-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO CN1CCC[C@H]1C[NH2+]C(C)(C)c1nccs1 ZINC000386247081 398200994 /nfs/dbraw/zinc/20/09/94/398200994.db2.gz QKQQNUBMVRHBLD-JTQLQIEISA-N 1 0 239.388 2.062 10 0 BEAERO CC1(C)CCO[C@@](C)(C(F)(F)F)C[NH2+]1 ZINC000306465040 398201584 /nfs/dbraw/zinc/20/15/84/398201584.db2.gz JPTWIPZKDYNQCN-MRVPVSSYSA-N 1 0 211.227 2.096 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1cccc2cnccc21 ZINC000616637746 398214089 /nfs/dbraw/zinc/21/40/89/398214089.db2.gz QXHYZEPCTLPSEI-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO NNc1cc(COCc2ccccc2)cc[nH+]1 ZINC000052728154 398215308 /nfs/dbraw/zinc/21/53/08/398215308.db2.gz RQRAFNAQXQSKTQ-UHFFFAOYSA-N 1 0 229.283 2.084 10 0 BEAERO C[N@H+](CCC1CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000380072961 488171848 /nfs/dbraw/zinc/17/18/48/488171848.db2.gz JFOCSQLWRVIVHF-CHWSQXEVSA-N 1 0 211.349 2.269 10 0 BEAERO CCC(CC)CN(CC)CC[NH2+][C@@H](C)COC ZINC000053430034 168348307 /nfs/dbraw/zinc/34/83/07/168348307.db2.gz KLUDMVNCVOQRNV-ZDUSSCGKSA-N 1 0 244.423 2.369 10 0 BEAERO F[C@@H](c1ccsn1)[C@H]1CCCC[NH2+]1 ZINC000306605461 398221602 /nfs/dbraw/zinc/22/16/02/398221602.db2.gz PVGGNFIWQSXEKD-VXNVDRBHSA-N 1 0 200.282 2.296 10 0 BEAERO Cc1cc(N[C@@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000167622361 178178925 /nfs/dbraw/zinc/17/89/25/178178925.db2.gz VNEFQLBFVJDDQL-CMPLNLGQSA-N 1 0 206.289 2.369 10 0 BEAERO Cc1cc(N[C@@H](CC(C)C)C[NH+](C)C)ncn1 ZINC000049558089 178180778 /nfs/dbraw/zinc/18/07/78/178180778.db2.gz BUSSFNKICQRATO-LBPRGKRZSA-N 1 0 236.363 2.173 10 0 BEAERO c1cnc2ccc([C@H]3CC[NH2+]CCO3)cc2c1 ZINC000616663177 398224256 /nfs/dbraw/zinc/22/42/56/398224256.db2.gz HNZKPKGLEZKMPL-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2Nc1cc[nH+]c(C)c1 ZINC000302561244 178189974 /nfs/dbraw/zinc/18/99/74/178189974.db2.gz LMZGNLCUPWQYQW-LBPRGKRZSA-N 1 0 243.314 2.237 10 0 BEAERO Cc1cc(N[C@]2(C[NH3+])CCC[C@@H](C)C2)nc(C)n1 ZINC000104303454 178192008 /nfs/dbraw/zinc/19/20/08/178192008.db2.gz WGDAOKKFEVXHHK-QMTHXVAHSA-N 1 0 248.374 2.413 10 0 BEAERO Cc1cc(O[C@H]2COCC[C@@H]2[NH3+])ccc1Cl ZINC000049956240 178214276 /nfs/dbraw/zinc/21/42/76/178214276.db2.gz GEKOOOJSOWXPFW-RYUDHWBXSA-N 1 0 241.718 2.143 10 0 BEAERO OCCC[C@H]1CCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000400496919 398227231 /nfs/dbraw/zinc/22/72/31/398227231.db2.gz FWNIBTUWRPZKDR-ZIAGYGMSSA-N 1 0 241.375 2.040 10 0 BEAERO Cc1cc(OC(C)(C)C)ccc1C(N)=[NH2+] ZINC000075847681 178206788 /nfs/dbraw/zinc/20/67/88/178206788.db2.gz KQQCOXMMFCZVKY-UHFFFAOYSA-N 1 0 206.289 2.456 10 0 BEAERO Cc1cc(OCCC[NH3+])c2ccccc2n1 ZINC000051870479 178210921 /nfs/dbraw/zinc/21/09/21/178210921.db2.gz IRCQDICUPVPBAV-UHFFFAOYSA-N 1 0 216.284 2.271 10 0 BEAERO Cc1cc(SCC[NH+]2CCCCC2)ncn1 ZINC000032535368 178217945 /nfs/dbraw/zinc/21/79/45/178217945.db2.gz NAPOANHZFZUFMK-UHFFFAOYSA-N 1 0 237.372 2.363 10 0 BEAERO Cc1cc(S[C@H](C[NH3+])c2ccco2)n(C)n1 ZINC000052309531 178219588 /nfs/dbraw/zinc/21/95/88/178219588.db2.gz GUVAOQNAXYMWEJ-SNVBAGLBSA-N 1 0 237.328 2.114 10 0 BEAERO Cc1cc([C@@H](CO)[NH2+]C(C)C)c(C)s1 ZINC000049688042 178236057 /nfs/dbraw/zinc/23/60/57/178236057.db2.gz XZQCCSGXXIJBOJ-LLVKDONJSA-N 1 0 213.346 2.396 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@H]2CCCCO2)c(C)o1 ZINC000050963130 178237693 /nfs/dbraw/zinc/23/76/93/178237693.db2.gz DCHSYWPCUSJMDY-VXGBXAGGSA-N 1 0 209.289 2.465 10 0 BEAERO CCCC[C@@H](CC)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000165248409 538935113 /nfs/dbraw/zinc/93/51/13/538935113.db2.gz DCHIGLLCJLLKKM-ZIAGYGMSSA-N 1 0 242.407 2.266 10 0 BEAERO C[NH2+][C@@H](C)c1csc(N2CCCC2)n1 ZINC000070844235 361795364 /nfs/dbraw/zinc/79/53/64/361795364.db2.gz VGFMQUUGIOTLLU-QMMMGPOBSA-N 1 0 211.334 2.024 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@H]2CCCCO2)c(C)o1 ZINC000050963125 178263051 /nfs/dbraw/zinc/26/30/51/178263051.db2.gz DCHSYWPCUSJMDY-RYUDHWBXSA-N 1 0 209.289 2.465 10 0 BEAERO CCC(CC)C[NH2+]Cc1ccnc(C)n1 ZINC000037997787 168362091 /nfs/dbraw/zinc/36/20/91/168362091.db2.gz JVPLQZYIVKTKON-UHFFFAOYSA-N 1 0 207.321 2.311 10 0 BEAERO CCC(CC)C[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000336756194 168364518 /nfs/dbraw/zinc/36/45/18/168364518.db2.gz IPMVIYZOEHFVLJ-YPMHNXCESA-N 1 0 212.381 2.352 10 0 BEAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)CO)CCCO2 ZINC000127581702 178286989 /nfs/dbraw/zinc/28/69/89/178286989.db2.gz JDYQZNSXFZTJAT-GXTWGEPZSA-N 1 0 249.354 2.488 10 0 BEAERO Cc1cc2nc(CC[NH3+])sc2cc1C ZINC000031895451 178302013 /nfs/dbraw/zinc/30/20/13/178302013.db2.gz XECIGLHYTASUSM-UHFFFAOYSA-N 1 0 206.314 2.414 10 0 BEAERO Cc1cc2ncn(CC[C@@H](C)[NH3+])c2cc1C ZINC000020429238 178306202 /nfs/dbraw/zinc/30/62/02/178306202.db2.gz LJQPHWVKLPRSED-LLVKDONJSA-N 1 0 217.316 2.390 10 0 BEAERO Cc1cc2ncn(C[C@H](C)C[NH3+])c2cc1C ZINC000036986872 178306295 /nfs/dbraw/zinc/30/62/95/178306295.db2.gz AKGNERBZULYMIR-SECBINFHSA-N 1 0 217.316 2.248 10 0 BEAERO CCC(CC)N(C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055087550 168367511 /nfs/dbraw/zinc/36/75/11/168367511.db2.gz KRWQGXQOYNSIGH-NWDGAFQWSA-N 1 0 226.364 2.151 10 0 BEAERO CCC(CC)[N@H+](C)CC(=O)Nc1ccccc1N ZINC000036788480 168367561 /nfs/dbraw/zinc/36/75/61/168367561.db2.gz RGHUHXUTUONAMR-UHFFFAOYSA-N 1 0 249.358 2.328 10 0 BEAERO Cc1ccc(-c2nc(CC[NH3+])cs2)o1 ZINC000082376879 178333980 /nfs/dbraw/zinc/33/39/80/178333980.db2.gz OIUXQNRHHKGKRJ-UHFFFAOYSA-N 1 0 208.286 2.213 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])no2)s1 ZINC000041052299 178336355 /nfs/dbraw/zinc/33/63/55/178336355.db2.gz BEPFQRJQNFTFEK-ZCFIWIBFSA-N 1 0 209.274 2.126 10 0 BEAERO Cc1ccc(-c2nn(C)cc2C[NH3+])c(C)c1 ZINC000031885497 178340097 /nfs/dbraw/zinc/34/00/97/178340097.db2.gz BTZKJKHAZCJDQL-UHFFFAOYSA-N 1 0 215.300 2.163 10 0 BEAERO CCC(CC)N(C)c1nc2ccccn2c1C[NH3+] ZINC000036789446 168369277 /nfs/dbraw/zinc/36/92/77/168369277.db2.gz XHBIWGRGNMAFPW-UHFFFAOYSA-N 1 0 246.358 2.418 10 0 BEAERO c1ccc2c(c1)cncc2N1CCC[NH2+]CC1 ZINC000069266195 259313162 /nfs/dbraw/zinc/31/31/62/259313162.db2.gz KZISNXPRKLLSJW-UHFFFAOYSA-N 1 0 227.311 2.035 10 0 BEAERO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1C ZINC000036281464 398260670 /nfs/dbraw/zinc/26/06/70/398260670.db2.gz AKDIGSWTPFUCMO-CMPLNLGQSA-N 1 0 232.327 2.391 10 0 BEAERO Cc1ccc(C(N)=[NH2+])c(N2CCC[C@H](C)CC2)n1 ZINC000104354818 178369249 /nfs/dbraw/zinc/36/92/49/178369249.db2.gz VIVVLGPOZXWSMU-JTQLQIEISA-N 1 0 246.358 2.300 10 0 BEAERO Cc1ccc(C(=O)COC2CC[NH2+]CC2)cc1C ZINC000077252395 178372846 /nfs/dbraw/zinc/37/28/46/178372846.db2.gz RQCDCMDTMKSWHL-UHFFFAOYSA-N 1 0 247.338 2.255 10 0 BEAERO CCC(CC)[N@H+](CCO)C[C@@H]1CCCCC1=O ZINC000060720416 168374603 /nfs/dbraw/zinc/37/46/03/168374603.db2.gz CJSQCQKHKAAIPV-LBPRGKRZSA-N 1 0 241.375 2.229 10 0 BEAERO Cc1ccc(C(=O)NCC[C@H]2CCCC[NH2+]2)cc1 ZINC000019478202 178409805 /nfs/dbraw/zinc/40/98/05/178409805.db2.gz SIZLDAYETBLRQE-CQSZACIVSA-N 1 0 246.354 2.257 10 0 BEAERO CCC(CC)[N@H+](CCOC)[C@H](CN)C(C)(C)C ZINC000042681773 168375869 /nfs/dbraw/zinc/37/58/69/168375869.db2.gz FMXAKVHLCMZMDC-CYBMUJFWSA-N 1 0 244.423 2.497 10 0 BEAERO C[N@@H+](Cc1ccco1)C[C@H]1CCC[C@H](O)C1 ZINC000381653111 398268605 /nfs/dbraw/zinc/26/86/05/398268605.db2.gz SFCBXZMEKRXBPC-RYUDHWBXSA-N 1 0 223.316 2.263 10 0 BEAERO CCC(CC)[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049664938 168376420 /nfs/dbraw/zinc/37/64/20/168376420.db2.gz SZCNOSCRGHIBAZ-TXEJJXNPSA-N 1 0 212.381 2.352 10 0 BEAERO Cc1ccc(C(=O)NCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000019478200 178409268 /nfs/dbraw/zinc/40/92/68/178409268.db2.gz SIZLDAYETBLRQE-AWEZNQCLSA-N 1 0 246.354 2.257 10 0 BEAERO CCC(CC)NC(=O)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000049285529 168376748 /nfs/dbraw/zinc/37/67/48/168376748.db2.gz NDQMZWTYKAEZLB-AAEUAGOBSA-N 1 0 240.391 2.460 10 0 BEAERO CC[N@@H+]1CC[C@@H](c2ccc(NC(C)=O)cc2)C1 ZINC000616613043 349604767 /nfs/dbraw/zinc/60/47/67/349604767.db2.gz JRLMIXDZJBZMEE-CYBMUJFWSA-N 1 0 232.327 2.454 10 0 BEAERO C[C@@H]1C[NH2+]CCN1C[C@@H]1CCCCC1(F)F ZINC000381774170 398271139 /nfs/dbraw/zinc/27/11/39/398271139.db2.gz YSAJBVBGPMBYCE-MNOVXSKESA-N 1 0 232.318 2.106 10 0 BEAERO C[C@@H]1C[NH2+]CCN1C[C@H]1CCCCC1(F)F ZINC000381774167 398271145 /nfs/dbraw/zinc/27/11/45/398271145.db2.gz YSAJBVBGPMBYCE-GHMZBOCLSA-N 1 0 232.318 2.106 10 0 BEAERO CCN(CC(C)C)[C@H](CC[NH3+])C(F)(F)F ZINC000037178556 538961908 /nfs/dbraw/zinc/96/19/08/538961908.db2.gz VPACBTVHXOPQRO-SECBINFHSA-N 1 0 226.286 2.244 10 0 BEAERO C[C@@H]([NH3+])C[C@H](C)Nc1nc2ccccc2n1C ZINC000320978637 342748272 /nfs/dbraw/zinc/74/82/72/342748272.db2.gz XJSVNWWTSHDEPH-ZJUUUORDSA-N 1 0 232.331 2.111 10 0 BEAERO Cc1ccc(C)c(NC(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000335128646 398280584 /nfs/dbraw/zinc/28/05/84/398280584.db2.gz UEGMAPYJMKJYBU-GFCCVEGCSA-N 1 0 247.342 2.129 10 0 BEAERO C[C@H]([NH3+])c1cccc(I)c1 ZINC000003705620 342736865 /nfs/dbraw/zinc/73/68/65/342736865.db2.gz UYKFZJRBIDHFAG-LURJTMIESA-N 1 0 247.079 2.311 10 0 BEAERO Cc1cc2c(c(Br)c1)OC[C@@H]2[NH3+] ZINC000035653840 342754080 /nfs/dbraw/zinc/75/40/80/342754080.db2.gz RDKIDNXSTFYSBI-QMMMGPOBSA-N 1 0 228.089 2.150 10 0 BEAERO [NH3+]CC[C@H](O)c1ccccc1C(F)(F)F ZINC000083557706 398283937 /nfs/dbraw/zinc/28/39/37/398283937.db2.gz NACIGKCJLIVJFF-VIFPVBQESA-N 1 0 219.206 2.088 10 0 BEAERO CCOc1cccc(-c2cc(N)[nH+]c(N)c2)c1 ZINC000145233641 342760628 /nfs/dbraw/zinc/76/06/28/342760628.db2.gz FLOMZYWXADFGPO-UHFFFAOYSA-N 1 0 229.283 2.312 10 0 BEAERO C[C@@H](c1ccccc1)N1C[C@H]([NH3+])C2(CC2)C1 ZINC000145314803 342760837 /nfs/dbraw/zinc/76/08/37/342760837.db2.gz LQXLEBQQOBROTO-AAEUAGOBSA-N 1 0 216.328 2.171 10 0 BEAERO CC[C@H]([NH3+])C(=O)c1cscc1Br ZINC000226541842 342765244 /nfs/dbraw/zinc/76/52/44/342765244.db2.gz VIYLYQIWYWZQEO-ZETCQYMHSA-N 1 0 248.145 2.431 10 0 BEAERO CNC(=O)[C@H]([NH2+]CCCC1CCCC1)C(C)C ZINC000183636503 538967735 /nfs/dbraw/zinc/96/77/35/538967735.db2.gz ZOOUSIMBIYRSLB-CYBMUJFWSA-N 1 0 240.391 2.317 10 0 BEAERO O=C1c2ccccc2CC[C@]12CCCC[NH2+]2 ZINC000146578345 342770069 /nfs/dbraw/zinc/77/00/69/342770069.db2.gz MTJXFDCEGJPPAE-CQSZACIVSA-N 1 0 215.296 2.328 10 0 BEAERO CC[C@@H]([NH3+])C(=O)c1c(F)ccc(C)c1F ZINC000226542349 342771477 /nfs/dbraw/zinc/77/14/77/342771477.db2.gz SIGNVKDYHCSWAC-MRVPVSSYSA-N 1 0 213.227 2.193 10 0 BEAERO CC[C@@H]1C[C@@]1([NH3+])c1cccc(-n2cccn2)c1 ZINC000147697545 342779654 /nfs/dbraw/zinc/77/96/54/342779654.db2.gz VTOJIHOHIGHWJD-RISCZKNCSA-N 1 0 227.311 2.456 10 0 BEAERO C[C@H]1OCC[C@H]1c1ccc2c(c1)C[NH2+]C2 ZINC000147808415 342780929 /nfs/dbraw/zinc/78/09/29/342780929.db2.gz BQCBSDHTCZGICW-NOZJJQNGSA-N 1 0 203.285 2.182 10 0 BEAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCN(C)C1 ZINC000040672721 538972796 /nfs/dbraw/zinc/97/27/96/538972796.db2.gz FJTHYLCPZMNSTN-QWHCGFSZSA-N 1 0 236.359 2.285 10 0 BEAERO Oc1cccc(SC2CC[NH2+]CC2)c1 ZINC000127053759 342819817 /nfs/dbraw/zinc/81/98/17/342819817.db2.gz CCCJBBARQWQKFB-UHFFFAOYSA-N 1 0 209.314 2.236 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000378798940 538974052 /nfs/dbraw/zinc/97/40/52/538974052.db2.gz SCGAWAVYBCHGSI-WUHRBBMRSA-N 1 0 229.339 2.408 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1Sc1cccc(O)c1 ZINC000126953586 342807643 /nfs/dbraw/zinc/80/76/43/342807643.db2.gz AQYUHDFNSGDEGW-GHMZBOCLSA-N 1 0 209.314 2.364 10 0 BEAERO CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000380140197 538986060 /nfs/dbraw/zinc/98/60/60/538986060.db2.gz VKMZADZAQGCPMB-WDEREUQCSA-N 1 0 217.328 2.123 10 0 BEAERO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000044985967 538990548 /nfs/dbraw/zinc/99/05/48/538990548.db2.gz HSKRTNIJXQVTEK-SNVBAGLBSA-N 1 0 226.320 2.276 10 0 BEAERO c1ncn(Cc2ccccc2)c1[C@H]1CC[NH2+]C1 ZINC000097007769 344004341 /nfs/dbraw/zinc/00/43/41/344004341.db2.gz ISVSTQJKBUZXQT-ZDUSSCGKSA-N 1 0 227.311 2.008 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000380010962 538983825 /nfs/dbraw/zinc/98/38/25/538983825.db2.gz RNXLISUALQCPFM-QNWHQSFQSA-N 1 0 210.365 2.105 10 0 BEAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc(Cl)cn2)C1 ZINC000381466793 539001317 /nfs/dbraw/zinc/00/13/17/539001317.db2.gz MTOCUOPYIYLJQA-MWLCHTKSSA-N 1 0 239.750 2.487 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000381542368 539003811 /nfs/dbraw/zinc/00/38/11/539003811.db2.gz IOINEUWCAHTRMP-GARJFASQSA-N 1 0 239.388 2.134 10 0 BEAERO CCC(CC)[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000381584858 539004220 /nfs/dbraw/zinc/00/42/20/539004220.db2.gz HAYVVHGVGOCPIR-ZWNOBZJWSA-N 1 0 226.364 2.022 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000381739415 539006547 /nfs/dbraw/zinc/00/65/47/539006547.db2.gz ORCCGOZKFQTYCP-SDDRHHMPSA-N 1 0 222.332 2.270 10 0 BEAERO CC[C@@]1([NH2+]C[C@H]2Cc3ccccc32)CCOC1 ZINC000383244711 539011566 /nfs/dbraw/zinc/01/15/66/539011566.db2.gz PVEXENULSBHTQK-UKRRQHHQSA-N 1 0 231.339 2.485 10 0 BEAERO [NH3+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000053130672 539012354 /nfs/dbraw/zinc/01/23/54/539012354.db2.gz AJJUHFIHXUQHMV-CQSZACIVSA-N 1 0 212.296 2.194 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192547754 538995705 /nfs/dbraw/zinc/99/57/05/538995705.db2.gz CSBNUAKHAAXIRB-PSASIEDQSA-N 1 0 248.351 2.098 10 0 BEAERO COC[C@@H](CC(C)C)[NH2+]CC[C@@H]1CCCO1 ZINC000381346115 538998659 /nfs/dbraw/zinc/99/86/59/538998659.db2.gz ZCJKKXTVCMIDHA-OLZOCXBDSA-N 1 0 229.364 2.206 10 0 BEAERO CC(C)[C@H]1C[NH2+]CC[C@H]1c1cscn1 ZINC000127079032 342836840 /nfs/dbraw/zinc/83/68/40/342836840.db2.gz CYBGZKKYPSAPGX-NXEZZACHSA-N 1 0 210.346 2.492 10 0 BEAERO CCC(CC)[C@@H](C[NH3+])N(C)CCc1ccccn1 ZINC000019843946 168399995 /nfs/dbraw/zinc/39/99/95/168399995.db2.gz VKYRGQZLOUASEU-OAHLLOKOSA-N 1 0 249.402 2.319 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000390549773 539026037 /nfs/dbraw/zinc/02/60/37/539026037.db2.gz OHJQRNJWXOMJKC-WUHRBBMRSA-N 1 0 224.392 2.351 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000390549771 539026120 /nfs/dbraw/zinc/02/61/20/539026120.db2.gz OHJQRNJWXOMJKC-QNWHQSFQSA-N 1 0 224.392 2.351 10 0 BEAERO Oc1ccc([C@@H]2[NH2+]CCc3occc32)cc1 ZINC000709987843 539027810 /nfs/dbraw/zinc/02/78/10/539027810.db2.gz BTOCMDMVEVBUPN-ZDUSSCGKSA-N 1 0 215.252 2.220 10 0 BEAERO CC(C)c1cccc2c1NC(=O)[C@@H]2CC[NH3+] ZINC000105381395 539015562 /nfs/dbraw/zinc/01/55/62/539015562.db2.gz OIUKSTFIJFDRPE-LLVKDONJSA-N 1 0 218.300 2.195 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000389600852 539016727 /nfs/dbraw/zinc/01/67/27/539016727.db2.gz UKUFMJMILKFGGC-YGRLFVJLSA-N 1 0 201.313 2.399 10 0 BEAERO O[C@]1(c2sccc2Cl)CCC[NH2+]CC1 ZINC000229925737 342855762 /nfs/dbraw/zinc/85/57/62/342855762.db2.gz ISIXAERDEKNBDL-SNVBAGLBSA-N 1 0 231.748 2.363 10 0 BEAERO CC[C@H]([NH3+])c1nc([C@@H]2CCOC2)cs1 ZINC000164974029 342861350 /nfs/dbraw/zinc/86/13/50/342861350.db2.gz GTKVQKUERPQVHH-SFYZADRCSA-N 1 0 212.318 2.057 10 0 BEAERO CC[C@@H]([NH3+])c1nc([C@H]2CCOC2)cs1 ZINC000164974353 342861377 /nfs/dbraw/zinc/86/13/77/342861377.db2.gz GTKVQKUERPQVHH-JGVFFNPUSA-N 1 0 212.318 2.057 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000134534151 342863129 /nfs/dbraw/zinc/86/31/29/342863129.db2.gz RZRDDCIVXKCNKJ-CBAPKCEASA-N 1 0 215.680 2.200 10 0 BEAERO C[N@@H+]1CCC[C@H](Nc2nc(Cl)cs2)C1 ZINC000164998430 342864345 /nfs/dbraw/zinc/86/43/45/342864345.db2.gz AEKYTHRSURIBHK-ZETCQYMHSA-N 1 0 231.752 2.303 10 0 BEAERO [NH3+][C@@H]1CSC[C@@H]1Cc1cccc(F)c1 ZINC000134571078 342868797 /nfs/dbraw/zinc/86/87/97/342868797.db2.gz NQFLVOBDHONENH-GXSJLCMTSA-N 1 0 211.305 2.059 10 0 BEAERO [NH3+][C@H]1CSC[C@@H]1Cc1cccc(F)c1 ZINC000134571034 342868880 /nfs/dbraw/zinc/86/88/80/342868880.db2.gz NQFLVOBDHONENH-ONGXEEELSA-N 1 0 211.305 2.059 10 0 BEAERO [NH3+][C@H]1CSC[C@@H]1CCc1cccs1 ZINC000134580938 342870667 /nfs/dbraw/zinc/87/06/67/342870667.db2.gz DASALCBFLQZAOG-WPRPVWTQSA-N 1 0 213.371 2.371 10 0 BEAERO CCNc1cccc(Br)c1C(N)=[NH2+] ZINC000165047117 342872465 /nfs/dbraw/zinc/87/24/65/342872465.db2.gz SBSPJEFEIPJUHG-UHFFFAOYSA-N 1 0 242.120 2.165 10 0 BEAERO Cc1nnc(C[NH2+][C@H]2CC[C@@H](C)C2)s1 ZINC000134664112 342875800 /nfs/dbraw/zinc/87/58/00/342875800.db2.gz JDGZDBNDFQASHR-APPZFPTMSA-N 1 0 211.334 2.125 10 0 BEAERO c1cc2c(ccnc2NCC2CC[NH2+]CC2)o1 ZINC000232565101 342857754 /nfs/dbraw/zinc/85/77/54/342857754.db2.gz FMOICCYINBORSR-UHFFFAOYSA-N 1 0 231.299 2.239 10 0 BEAERO [NH3+][C@H]1CCCN(c2sccc2Cl)C1 ZINC000229947156 342858388 /nfs/dbraw/zinc/85/83/88/342858388.db2.gz IYYJOMRSRCZWSC-ZETCQYMHSA-N 1 0 216.737 2.329 10 0 BEAERO [NH3+]C[C@H]1CCCCN1c1nc(Cl)cs1 ZINC000165290637 342896884 /nfs/dbraw/zinc/89/68/84/342896884.db2.gz PMDNIJKOXDEWGV-SSDOTTSWSA-N 1 0 231.752 2.114 10 0 BEAERO CC[C@@H](C)N(CC)C(=O)C1CCC([NH3+])CC1 ZINC000037481984 488185747 /nfs/dbraw/zinc/18/57/47/488185747.db2.gz CWCDYFVGEUDACW-VOMCLLRMSA-N 1 0 226.364 2.151 10 0 BEAERO CC(C)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000232720100 342879367 /nfs/dbraw/zinc/87/93/67/342879367.db2.gz IAIMEVIKPXMNJQ-VXGBXAGGSA-N 1 0 211.349 2.316 10 0 BEAERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(Cl)cs1 ZINC000165187475 342880642 /nfs/dbraw/zinc/88/06/42/342880642.db2.gz JUHQCCXCFQWWMO-MRVPVSSYSA-N 1 0 245.779 2.184 10 0 BEAERO [NH3+]Cc1cc(Br)ccc1NC1CC1 ZINC000165225901 342886576 /nfs/dbraw/zinc/88/65/76/342886576.db2.gz GSXLLZSCFMFQKO-UHFFFAOYSA-N 1 0 241.132 2.482 10 0 BEAERO CCCC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000232899933 342887184 /nfs/dbraw/zinc/88/71/84/342887184.db2.gz XTGSKHVJABQQBC-GFCCVEGCSA-N 1 0 238.375 2.073 10 0 BEAERO [NH3+]Cc1cccc(-c2nc3ncccc3o2)c1 ZINC000134784384 342888779 /nfs/dbraw/zinc/88/87/79/342888779.db2.gz KSOIZAUIMVMSJP-UHFFFAOYSA-N 1 0 225.251 2.349 10 0 BEAERO O=C1CC[C@H]([N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000226595586 342899792 /nfs/dbraw/zinc/89/97/92/342899792.db2.gz HBZOWCMHLJEJQJ-GVXVVHGQSA-N 1 0 207.317 2.373 10 0 BEAERO CCCC(CCC)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000232921593 342891936 /nfs/dbraw/zinc/89/19/36/342891936.db2.gz PUUISKIOQUCKDF-CMPLNLGQSA-N 1 0 226.364 2.008 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000167287596 136245027 /nfs/dbraw/zinc/24/50/27/136245027.db2.gz ZFAHJWKTXXWQGU-FMLYDFSMSA-N 1 0 237.265 2.220 10 0 BEAERO O=C1CCC[C@@H]1[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226600275 342904662 /nfs/dbraw/zinc/90/46/62/342904662.db2.gz SIIIONZBJZDVPM-SRVKXCTJSA-N 1 0 207.317 2.373 10 0 BEAERO CC[C@](C)([NH3+])c1nc(C)ncc1Br ZINC000306162353 398322566 /nfs/dbraw/zinc/32/25/66/398322566.db2.gz MZKUPEWCVXRALZ-VIFPVBQESA-N 1 0 244.136 2.131 10 0 BEAERO [NH3+]CCN1CCC2(CCC2)c2c(F)cccc21 ZINC000216789053 342923009 /nfs/dbraw/zinc/92/30/09/342923009.db2.gz FOIDYEXCGYKFOQ-UHFFFAOYSA-N 1 0 234.318 2.416 10 0 BEAERO CN1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000218127731 398325665 /nfs/dbraw/zinc/32/56/65/398325665.db2.gz YNUFPCZSFAROKF-CQSZACIVSA-N 1 0 243.354 2.352 10 0 BEAERO CCCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105807486 398325289 /nfs/dbraw/zinc/32/52/89/398325289.db2.gz BZADPDGETRQBAF-UHFFFAOYSA-N 1 0 248.374 2.177 10 0 BEAERO CCCC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105804292 398325322 /nfs/dbraw/zinc/32/53/22/398325322.db2.gz CAGRSUSETLBDIG-ZDUSSCGKSA-N 1 0 248.374 2.177 10 0 BEAERO COC(C[NH2+][C@@H](C)c1cccs1)OC ZINC000037473023 342933494 /nfs/dbraw/zinc/93/34/94/342933494.db2.gz VBIHGHMQJWPLGE-QMMMGPOBSA-N 1 0 215.318 2.018 10 0 BEAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000038092920 398335991 /nfs/dbraw/zinc/33/59/91/398335991.db2.gz LLJGTTDSIHZYQO-RKDXNWHRSA-N 1 0 240.734 2.255 10 0 BEAERO CCOC(=O)C=C1CC[NH+](C(C)(C)C)CC1 ZINC000116923296 342939454 /nfs/dbraw/zinc/93/94/54/342939454.db2.gz FICGUZPWKIBGNB-UHFFFAOYSA-N 1 0 225.332 2.370 10 0 BEAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000392950147 398336357 /nfs/dbraw/zinc/33/63/57/398336357.db2.gz UKNHGNGDQHXWAU-VOAKCMCISA-N 1 0 238.375 2.212 10 0 BEAERO CCc1ccc([C@@H](C)NC(=O)C[C@H](C)[NH3+])cc1 ZINC000037607857 398332424 /nfs/dbraw/zinc/33/24/24/398332424.db2.gz YHCPRDLZIHXWFE-WDEREUQCSA-N 1 0 234.343 2.164 10 0 BEAERO Cc1cc(C2CCCCC2)c(C[NH3+])c(=O)[nH]1 ZINC000116872520 342938579 /nfs/dbraw/zinc/93/85/79/342938579.db2.gz PBGAZQLIFHVHCX-UHFFFAOYSA-N 1 0 220.316 2.190 10 0 BEAERO CCCCN(C(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000037810352 398334867 /nfs/dbraw/zinc/33/48/67/398334867.db2.gz FJVBDDSEPSSHKO-UHFFFAOYSA-N 1 0 238.375 2.295 10 0 BEAERO c1cc(C[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000037988812 398335607 /nfs/dbraw/zinc/33/56/07/398335607.db2.gz GONQAQGBYFDZHP-NSHDSACASA-N 1 0 211.330 2.407 10 0 BEAERO c1csc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037988778 398335614 /nfs/dbraw/zinc/33/56/14/398335614.db2.gz KEPAGIJKAOQUBP-JTQLQIEISA-N 1 0 211.330 2.407 10 0 BEAERO COC[C@@H]([NH2+][C@H]1CCCSC1)c1ccco1 ZINC000128312183 398339829 /nfs/dbraw/zinc/33/98/29/398339829.db2.gz MRPJSNBFHLOKFU-WDEREUQCSA-N 1 0 241.356 2.452 10 0 BEAERO COC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccco1 ZINC000128311716 398339932 /nfs/dbraw/zinc/33/99/32/398339932.db2.gz MRPJSNBFHLOKFU-GHMZBOCLSA-N 1 0 241.356 2.452 10 0 BEAERO CSC1(C[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000306676019 398340223 /nfs/dbraw/zinc/34/02/23/398340223.db2.gz UYHAUODMXSWTTC-VIFPVBQESA-N 1 0 217.403 2.319 10 0 BEAERO Cc1ccc(C)c(C(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000011630732 178469007 /nfs/dbraw/zinc/46/90/07/178469007.db2.gz ZUVRGCYFQHBUCS-LBPRGKRZSA-N 1 0 217.312 2.486 10 0 BEAERO [NH3+][C@H]1CCCc2cccc(Cl)c2[C@H]1O ZINC000019795494 342957799 /nfs/dbraw/zinc/95/77/99/342957799.db2.gz WGKKLMBVYZACAX-ONGXEEELSA-N 1 0 211.692 2.037 10 0 BEAERO [NH3+][C@@H]1CCCc2ccc(C(F)(F)F)cc2[C@H]1O ZINC000019795623 342958371 /nfs/dbraw/zinc/95/83/71/342958371.db2.gz VETYAZFXIGHOEL-GHMZBOCLSA-N 1 0 245.244 2.402 10 0 BEAERO COC(=O)C[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000020577590 342991711 /nfs/dbraw/zinc/99/17/11/342991711.db2.gz JFWNNOBLJXSMPG-CYBMUJFWSA-N 1 0 229.279 2.403 10 0 BEAERO N[C@H](CC[NH+]1CCCC1)c1cccs1 ZINC000020274140 342979613 /nfs/dbraw/zinc/97/96/13/342979613.db2.gz PAHGGBYURHMNDK-SNVBAGLBSA-N 1 0 210.346 2.234 10 0 BEAERO O=[N+]([O-])c1ccc(C=C2CC[NH2+]CC2)cc1 ZINC000117376655 342984807 /nfs/dbraw/zinc/98/48/07/342984807.db2.gz RWBBBMBUHHZUSY-UHFFFAOYSA-N 1 0 218.256 2.362 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC1CC1 ZINC000042205084 342995592 /nfs/dbraw/zinc/99/55/92/342995592.db2.gz NVFDGSNBFSLHNN-NWDGAFQWSA-N 1 0 246.354 2.313 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000211764446 343001389 /nfs/dbraw/zinc/00/13/89/343001389.db2.gz BMXWIVNQSLNMKD-YPMHNXCESA-N 1 0 240.391 2.317 10 0 BEAERO Cc1cc(-c2cnc(C[NH3+])c(C)c2)ccn1 ZINC000117503014 343001505 /nfs/dbraw/zinc/00/15/05/343001505.db2.gz JYTLEEFDSQITLR-UHFFFAOYSA-N 1 0 213.284 2.219 10 0 BEAERO C(=C/c1ccccc1)\C[NH2+]CCc1c[nH]cn1 ZINC000045946236 343013285 /nfs/dbraw/zinc/01/32/85/343013285.db2.gz CBAPNVJPHMIILS-QPJJXVBHSA-N 1 0 227.311 2.255 10 0 BEAERO Clc1ccccc1C[NH2+]CCc1c[nH]cn1 ZINC000045946316 343013323 /nfs/dbraw/zinc/01/33/23/343013323.db2.gz TVPMQQPJNUPHOM-UHFFFAOYSA-N 1 0 235.718 2.395 10 0 BEAERO Cc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000045946196 343013454 /nfs/dbraw/zinc/01/34/54/343013454.db2.gz XFRNMNNSBRQOSN-UHFFFAOYSA-N 1 0 215.300 2.050 10 0 BEAERO CO[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000043288269 343035968 /nfs/dbraw/zinc/03/59/68/343035968.db2.gz VTNVBCFSOPIOFR-LURJTMIESA-N 1 0 236.134 2.157 10 0 BEAERO O[C@]1(c2ccc(Cl)cc2)CC[NH2+]CC12CC2 ZINC000118190265 343044911 /nfs/dbraw/zinc/04/49/11/343044911.db2.gz PZCSCANRNDRQKA-ZDUSSCGKSA-N 1 0 237.730 2.301 10 0 BEAERO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1 ZINC000401970591 529645345 /nfs/dbraw/zinc/64/53/45/529645345.db2.gz ZDJVHDCBQAMTRP-DOMZBBRYSA-N 1 0 233.355 2.452 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000071531933 362006102 /nfs/dbraw/zinc/00/61/02/362006102.db2.gz FZVXVQLEWBXOGI-GFCCVEGCSA-N 1 0 224.735 2.306 10 0 BEAERO CC(=O)Oc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000072201866 343068505 /nfs/dbraw/zinc/06/85/05/343068505.db2.gz OXCPOFLNZGEJDP-GFCCVEGCSA-N 1 0 205.257 2.036 10 0 BEAERO Clc1csc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000165383324 343070606 /nfs/dbraw/zinc/07/06/06/343070606.db2.gz CIIQJSNUJDNIAV-ZETCQYMHSA-N 1 0 232.736 2.317 10 0 BEAERO [NH3+]C[C@H]1CCC[C@@H]1Oc1nc(Cl)cs1 ZINC000165387692 343072641 /nfs/dbraw/zinc/07/26/41/343072641.db2.gz KUMABVQHSIZMBU-RQJHMYQMSA-N 1 0 232.736 2.303 10 0 BEAERO Cc1ccsc1[C@H]([NH3+])c1cccnc1 ZINC000042728849 362020749 /nfs/dbraw/zinc/02/07/49/362020749.db2.gz DKTXEEGHWZVVOV-SNVBAGLBSA-N 1 0 204.298 2.500 10 0 BEAERO Cc1nc2ccccc2n1CC[C@H]1CO1 ZINC000306663563 362021072 /nfs/dbraw/zinc/02/10/72/362021072.db2.gz VWEVIUAOBRMKET-JTQLQIEISA-N 1 0 202.257 2.134 10 0 BEAERO CC[C@H](NC(=O)C(C)(C)C(N)=[NH2+])c1ccccc1 ZINC000584880898 343081664 /nfs/dbraw/zinc/08/16/64/343081664.db2.gz QSZGTBCAHYUNPH-NSHDSACASA-N 1 0 247.342 2.216 10 0 BEAERO Cc1cc(Cl)cc2c(N)c(N)c[nH+]c12 ZINC000584882318 343084742 /nfs/dbraw/zinc/08/47/42/343084742.db2.gz CEVPHZUSXVTDAH-UHFFFAOYSA-N 1 0 207.664 2.361 10 0 BEAERO CCNc1c(N)cnc2ccc(Cl)c(F)c21 ZINC000584882720 343085202 /nfs/dbraw/zinc/08/52/02/343085202.db2.gz NJYWKHLKFXRSSI-UHFFFAOYSA-N 1 0 239.681 2.463 10 0 BEAERO CC1(C)C[NH+](C[C@H]2CCCCCC2=O)C1 ZINC000306669491 362032128 /nfs/dbraw/zinc/03/21/28/362032128.db2.gz LDGJCKXRYCVIQQ-LLVKDONJSA-N 1 0 209.333 2.478 10 0 BEAERO COc1ccc2c(cc3n2CCN(C)C3)c1 ZINC000141135061 343089819 /nfs/dbraw/zinc/08/98/19/343089819.db2.gz IHPWGGAJSLAGJE-UHFFFAOYSA-N 1 0 216.284 2.095 10 0 BEAERO COc1ccc(C(C)C)cc1[C@@H]([NH3+])CCO ZINC000071525220 362007793 /nfs/dbraw/zinc/00/77/93/362007793.db2.gz DUFGLNUXQJIGPG-LBPRGKRZSA-N 1 0 223.316 2.201 10 0 BEAERO Cc1ccc(Cl)c(O[C@H](C)C(N)=[NH2+])c1 ZINC000043516016 343116137 /nfs/dbraw/zinc/11/61/37/343116137.db2.gz NYCKYIAUELXWAY-SSDOTTSWSA-N 1 0 212.680 2.352 10 0 BEAERO Cc1ccc(C)c([C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000069851018 178498045 /nfs/dbraw/zinc/49/80/45/178498045.db2.gz STOFTJIPUFSYIZ-YPMHNXCESA-N 1 0 205.301 2.482 10 0 BEAERO C[NH+](C)CC[C@@H](c1ccccc1)n1cc(N)cn1 ZINC000143827773 343127981 /nfs/dbraw/zinc/12/79/81/343127981.db2.gz DEWWGRMBFONECQ-AWEZNQCLSA-N 1 0 244.342 2.006 10 0 BEAERO CC(C)c1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000144072421 343130039 /nfs/dbraw/zinc/13/00/39/343130039.db2.gz SOPQJMZBPXKXFY-UHFFFAOYSA-N 1 0 233.359 2.144 10 0 BEAERO CN(CCC1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000014946536 343135902 /nfs/dbraw/zinc/13/59/02/343135902.db2.gz WTQIGURXOHWOKR-UHFFFAOYSA-N 1 0 246.354 2.148 10 0 BEAERO Cc1ccc(C)c([C@@](C)(O)C[NH2+]C2CC2)c1 ZINC000032013486 178500247 /nfs/dbraw/zinc/50/02/47/178500247.db2.gz GQVCCANZCMGHPT-AWEZNQCLSA-N 1 0 219.328 2.263 10 0 BEAERO [NH3+]Cc1ccc(C(F)(F)F)nc1OC1CCC1 ZINC000094334501 343156133 /nfs/dbraw/zinc/15/61/33/343156133.db2.gz UKUANXKGGFKHDH-UHFFFAOYSA-N 1 0 246.232 2.490 10 0 BEAERO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000094665987 343156560 /nfs/dbraw/zinc/15/65/60/343156560.db2.gz PMAWKBABWYAIQW-GFCCVEGCSA-N 1 0 247.342 2.027 10 0 BEAERO COC[C@@H](C)C[NH2+]CCCC(F)(F)F ZINC000123596893 343159028 /nfs/dbraw/zinc/15/90/28/343159028.db2.gz YGCCBSXFYJTCOA-QMMMGPOBSA-N 1 0 213.243 2.201 10 0 BEAERO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)(C)C ZINC000122726257 343160844 /nfs/dbraw/zinc/16/08/44/343160844.db2.gz IMOARHWZDJPBHX-YPMHNXCESA-N 1 0 248.370 2.107 10 0 BEAERO C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C(C)(C)C ZINC000122725841 343160915 /nfs/dbraw/zinc/16/09/15/343160915.db2.gz IMOARHWZDJPBHX-DGCLKSJQSA-N 1 0 248.370 2.107 10 0 BEAERO CC(C)n1ccc(C[NH2+]C2CCSCC2)n1 ZINC000125264261 343173153 /nfs/dbraw/zinc/17/31/53/343173153.db2.gz QPWJGZJSHQRUPW-UHFFFAOYSA-N 1 0 239.388 2.449 10 0 BEAERO COc1c(N)ncnc1NCC1CCCCC1 ZINC000134822617 343195592 /nfs/dbraw/zinc/19/55/92/343195592.db2.gz LSWVMBSGFCGCQJ-UHFFFAOYSA-N 1 0 236.319 2.060 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000149668627 343196432 /nfs/dbraw/zinc/19/64/32/343196432.db2.gz SGJAFQRGQIADTL-KBUPBQIOSA-N 1 0 231.339 2.436 10 0 BEAERO CC(C)(C)c1ccccc1C(=O)NCCC[NH3+] ZINC000132518437 343188000 /nfs/dbraw/zinc/18/80/00/343188000.db2.gz ZRLDKKQISQZJTA-UHFFFAOYSA-N 1 0 234.343 2.063 10 0 BEAERO CC[C@H]1CCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000133134050 343189699 /nfs/dbraw/zinc/18/96/99/343189699.db2.gz IHTAROQYDHGKBA-NWDGAFQWSA-N 1 0 211.349 2.317 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000133133829 343190023 /nfs/dbraw/zinc/19/00/23/343190023.db2.gz IHTAROQYDHGKBA-VXGBXAGGSA-N 1 0 211.349 2.317 10 0 BEAERO O[C@@]12CCCC[C@H]1C[N@H+](C/C=C/Cl)CC2 ZINC000088023419 136283784 /nfs/dbraw/zinc/28/37/84/136283784.db2.gz YFFFRCZWKOHWOI-AKCLXAHESA-N 1 0 229.751 2.366 10 0 BEAERO CC(C)[C@H]([NH3+])c1cc(Br)ccn1 ZINC000238169420 343251358 /nfs/dbraw/zinc/25/13/58/343251358.db2.gz ZSDJKZPFHQXXHV-VIFPVBQESA-N 1 0 229.121 2.500 10 0 BEAERO CCC(=O)c1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000238248358 343252961 /nfs/dbraw/zinc/25/29/61/343252961.db2.gz MWZUYCQTXIONBB-UHFFFAOYSA-N 1 0 216.284 2.262 10 0 BEAERO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000035141827 343286539 /nfs/dbraw/zinc/28/65/39/343286539.db2.gz XOPRZLZPJCEUNG-NXEZZACHSA-N 1 0 240.372 2.313 10 0 BEAERO CN(c1nc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC000034729103 343277836 /nfs/dbraw/zinc/27/78/36/343277836.db2.gz GGVWYFBRIAYWMW-JTQLQIEISA-N 1 0 247.367 2.485 10 0 BEAERO [NH3+][C@H]1CCOc2c(Br)cc(F)cc21 ZINC000036928686 343328064 /nfs/dbraw/zinc/32/80/64/343328064.db2.gz NJWYNRUZEDPIDT-QMMMGPOBSA-N 1 0 246.079 2.371 10 0 BEAERO CCc1csc(NC[C@H]([NH3+])C(C)C)n1 ZINC000070010880 343297030 /nfs/dbraw/zinc/29/70/30/343297030.db2.gz QZMVFMKKGVPGJS-VIFPVBQESA-N 1 0 213.350 2.101 10 0 BEAERO Cn1ccnc1C[NH2+]CCCc1ccccc1 ZINC000035776083 343304571 /nfs/dbraw/zinc/30/45/71/343304571.db2.gz KMVHYXQUFZNEHM-UHFFFAOYSA-N 1 0 229.327 2.143 10 0 BEAERO C[C@H](C(=O)NCC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000139357119 343309299 /nfs/dbraw/zinc/30/92/99/343309299.db2.gz CXZUMXPMSDIRCC-NSHDSACASA-N 1 0 248.370 2.411 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000038050678 343367910 /nfs/dbraw/zinc/36/79/10/343367910.db2.gz QOFLSJOPNUNVRI-VHSXEESVSA-N 1 0 230.315 2.245 10 0 BEAERO C[C@@]1([NH3+])CC=C(c2ccccc2)[C@](C)(O)C1 ZINC000039109454 343385004 /nfs/dbraw/zinc/38/50/04/343385004.db2.gz AEJGYFICVMFGCY-ZIAGYGMSSA-N 1 0 217.312 2.332 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH3+])CN2CC(C)C ZINC000039941599 343393673 /nfs/dbraw/zinc/39/36/73/343393673.db2.gz GGSDPKPRHDFNLG-LBPRGKRZSA-N 1 0 204.317 2.471 10 0 BEAERO CCC1(C(=O)Nc2cc(C)ccn2)CC[NH2+]CC1 ZINC000062847927 168440426 /nfs/dbraw/zinc/44/04/26/168440426.db2.gz XDRSCSMQWAMIGP-UHFFFAOYSA-N 1 0 247.342 2.108 10 0 BEAERO CC1(C)C[N@@H+](C2CCC2)C[C@@]2(CCCOC2)O1 ZINC000335738181 136351148 /nfs/dbraw/zinc/35/11/48/136351148.db2.gz KTNAYENNJCISGU-CQSZACIVSA-N 1 0 239.359 2.199 10 0 BEAERO CCC1(C(=O)Nc2cnccc2C)CC[NH2+]CC1 ZINC000071414194 168443636 /nfs/dbraw/zinc/44/36/36/168443636.db2.gz KYZGLEMCGRZWEH-UHFFFAOYSA-N 1 0 247.342 2.108 10 0 BEAERO Cc1nccc(C[NH2+]CCc2ccsc2)n1 ZINC000054790841 136372959 /nfs/dbraw/zinc/37/29/59/136372959.db2.gz KTERKVRRPIFDLD-UHFFFAOYSA-N 1 0 233.340 2.179 10 0 BEAERO CC[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000054855617 136373051 /nfs/dbraw/zinc/37/30/51/136373051.db2.gz VYXNZXYLFXMLSZ-UHFFFAOYSA-N 1 0 243.310 2.262 10 0 BEAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)C1CCC1 ZINC000247966954 136373619 /nfs/dbraw/zinc/37/36/19/136373619.db2.gz GYKVMRYYZIQRBJ-NZVBXONLSA-N 1 0 231.339 2.423 10 0 BEAERO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258983178 136374066 /nfs/dbraw/zinc/37/40/66/136374066.db2.gz AUTMTDPPELWKQF-CYBMUJFWSA-N 1 0 246.354 2.194 10 0 BEAERO CCOC(=O)[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000043615098 343467707 /nfs/dbraw/zinc/46/77/07/343467707.db2.gz WXUFFHBLYVJDHQ-LBPRGKRZSA-N 1 0 235.327 2.318 10 0 BEAERO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000082944058 343472324 /nfs/dbraw/zinc/47/23/24/343472324.db2.gz NHMZUALILPJGPG-VGDYDELISA-N 1 0 209.333 2.188 10 0 BEAERO [NH3+]CC1(COc2ccc(Cl)cc2)CC1 ZINC000215165149 343527832 /nfs/dbraw/zinc/52/78/32/343527832.db2.gz AYXFNDDHHPQXNH-UHFFFAOYSA-N 1 0 211.692 2.458 10 0 BEAERO FC(F)(F)c1ccc(NC2C[NH2+]C2)cc1 ZINC000084415961 343530594 /nfs/dbraw/zinc/53/05/94/343530594.db2.gz NUKTZEUJGIPMSI-UHFFFAOYSA-N 1 0 216.206 2.089 10 0 BEAERO CC[C@H]([NH2+]C[C@](C)(O)CSC)[C@H]1C[C@H]1C ZINC000321752167 343531825 /nfs/dbraw/zinc/53/18/25/343531825.db2.gz BEHDWIHKPXRAJF-RHYQMDGZSA-N 1 0 231.405 2.125 10 0 BEAERO c1ccc2cc([C@@H]3CC[NH2+]CCO3)ncc2c1 ZINC000616664938 343533484 /nfs/dbraw/zinc/53/34/84/343533484.db2.gz XLUUATVEMKPCBQ-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO c1cnc2cc([C@@H]3CC[NH2+]CCO3)ccc2c1 ZINC000616664662 343533524 /nfs/dbraw/zinc/53/35/24/343533524.db2.gz RLKXULBELCQOBC-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CCCn1nc(C[NH2+]CC)c(-c2ccccc2)n1 ZINC000045944933 343536226 /nfs/dbraw/zinc/53/62/26/343536226.db2.gz BZYOFCBTCFUFMT-UHFFFAOYSA-N 1 0 244.342 2.465 10 0 BEAERO C[C@@]1([C@H]2CCOC2)[NH2+]CCc2ccsc21 ZINC000712513789 537787100 /nfs/dbraw/zinc/78/71/00/537787100.db2.gz YBBPJGGFQBVFSE-JQWIXIFHSA-N 1 0 223.341 2.146 10 0 BEAERO C[C@@]1([C@@H]2CCOC2)[NH2+]CCc2ccsc21 ZINC000712513792 537787200 /nfs/dbraw/zinc/78/72/00/537787200.db2.gz YBBPJGGFQBVFSE-PWSUYJOCSA-N 1 0 223.341 2.146 10 0 BEAERO CCn1nccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712513637 537787291 /nfs/dbraw/zinc/78/72/91/537787291.db2.gz QGEPGCDPJYMZRE-LLVKDONJSA-N 1 0 233.340 2.200 10 0 BEAERO C[C@@]1([C@@H]2CCCO2)[NH2+]CCc2ccsc21 ZINC000712512439 537787555 /nfs/dbraw/zinc/78/75/55/537787555.db2.gz KKZAWNUUKFWGOY-JQWIXIFHSA-N 1 0 223.341 2.288 10 0 BEAERO Cc1cnn(C)c1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712512416 537787625 /nfs/dbraw/zinc/78/76/25/537787625.db2.gz JWGJCYCZSCUONR-JTQLQIEISA-N 1 0 233.340 2.025 10 0 BEAERO C[N@H+](CCC1CCC1)[C@H]1CCC[NH2+]CC1 ZINC000398722612 488223842 /nfs/dbraw/zinc/22/38/42/488223842.db2.gz QEYVRZUVDWIHLR-ZDUSSCGKSA-N 1 0 210.365 2.251 10 0 BEAERO Cc1cnn(C)c1[C@H]1[NH2+]CCc2ccsc21 ZINC000712512417 537787795 /nfs/dbraw/zinc/78/77/95/537787795.db2.gz JWGJCYCZSCUONR-SNVBAGLBSA-N 1 0 233.340 2.025 10 0 BEAERO c1cc2c(s1)[C@@H]([C@H]1CCCO1)[NH2+]CC2 ZINC000712526224 537788863 /nfs/dbraw/zinc/78/88/63/537788863.db2.gz HQVQQLYPGMZOFA-NXEZZACHSA-N 1 0 209.314 2.114 10 0 BEAERO COCC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712526220 537789270 /nfs/dbraw/zinc/78/92/70/537789270.db2.gz HNDDCKCPLQBQCX-LLVKDONJSA-N 1 0 211.330 2.146 10 0 BEAERO c1cc2c(s1)[C@H]([C@@H]1CCCOC1)[NH2+]CC2 ZINC000712537086 537789329 /nfs/dbraw/zinc/78/93/29/537789329.db2.gz ZINPTABOPKMUMO-MNOVXSKESA-N 1 0 223.341 2.362 10 0 BEAERO CCC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000624235444 343578697 /nfs/dbraw/zinc/57/86/97/343578697.db2.gz KIGHWRVPLKJKCY-ZNMIVQPWSA-N 1 0 249.354 2.267 10 0 BEAERO C[C@@H](NC(=O)[C@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000048419033 343581358 /nfs/dbraw/zinc/58/13/58/343581358.db2.gz NSYHBMRVQMRYRE-OLZOCXBDSA-N 1 0 246.354 2.348 10 0 BEAERO c1cc2c(s1)[C@H](C1CCOCC1)[NH2+]CC2 ZINC000712537018 537790549 /nfs/dbraw/zinc/79/05/49/537790549.db2.gz VLKGPGPSMCSLAW-NSHDSACASA-N 1 0 223.341 2.362 10 0 BEAERO CC(C)N1CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712536751 537790630 /nfs/dbraw/zinc/79/06/30/537790630.db2.gz LYXPKQYXYIYKQJ-ZDUSSCGKSA-N 1 0 236.384 2.203 10 0 BEAERO c1cc2c(s1)[C@@]1(CCSC1)[NH2+]CC2 ZINC000712574557 537790731 /nfs/dbraw/zinc/79/07/31/537790731.db2.gz WZHNANGENILLGN-JTQLQIEISA-N 1 0 211.355 2.226 10 0 BEAERO O[C@H]1[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCC[C@H]12 ZINC000379699885 343599513 /nfs/dbraw/zinc/59/95/13/343599513.db2.gz FATDNWRGTCDFNX-PNWMVKDVSA-N 1 0 209.333 2.068 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000309486824 343603686 /nfs/dbraw/zinc/60/36/86/343603686.db2.gz VRERNZUKHKXKNA-OLZOCXBDSA-N 1 0 222.376 2.393 10 0 BEAERO CO[C@H](C)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712553346 537793022 /nfs/dbraw/zinc/79/30/22/537793022.db2.gz QNGKNLHYZHEMHY-LDYMZIIASA-N 1 0 211.330 2.144 10 0 BEAERO Cc1ccc(CN(C)c2cc(C[NH3+])ccn2)o1 ZINC000035698869 178556112 /nfs/dbraw/zinc/55/61/12/178556112.db2.gz CYNOHBKSJXYUMQ-UHFFFAOYSA-N 1 0 231.299 2.078 10 0 BEAERO c1cc2c(s1)[C@H]([C@@H]1CCCO1)[NH2+]CC2 ZINC000712526228 537790386 /nfs/dbraw/zinc/79/03/86/537790386.db2.gz HQVQQLYPGMZOFA-UWVGGRQHSA-N 1 0 209.314 2.114 10 0 BEAERO FC1(F)CC[C@H]([C@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000712970867 537796591 /nfs/dbraw/zinc/79/65/91/537796591.db2.gz MGIJDAIWYZWYQU-IONNQARKSA-N 1 0 227.258 2.032 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000379988848 365786512 /nfs/dbraw/zinc/78/65/12/365786512.db2.gz SBXCCSHUERBFEU-WDEREUQCSA-N 1 0 232.327 2.135 10 0 BEAERO CC[C@H](NC(=O)C(C)(C)C[NH3+])c1ccccc1 ZINC000051627444 343627321 /nfs/dbraw/zinc/62/73/21/343627321.db2.gz UFUVCHAHZPJHJL-LBPRGKRZSA-N 1 0 234.343 2.239 10 0 BEAERO COc1ccc(Cl)cc1N[C@@H](C)C[NH3+] ZINC000234850082 343675623 /nfs/dbraw/zinc/67/56/23/343675623.db2.gz BVRVWEZPNMIEOY-ZETCQYMHSA-N 1 0 214.696 2.108 10 0 BEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2CO)C1 ZINC000309014511 346954580 /nfs/dbraw/zinc/95/45/80/346954580.db2.gz TWTOOZBNXFLJLU-MROQNXINSA-N 1 0 211.349 2.172 10 0 BEAERO c1ccc2sc([C@@H]3CC[NH2+]C3)nc2c1 ZINC000062119465 343732970 /nfs/dbraw/zinc/73/29/70/343732970.db2.gz YVDACAMMNXEMRN-MRVPVSSYSA-N 1 0 204.298 2.373 10 0 BEAERO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C1(C)CC1 ZINC000126967324 343718686 /nfs/dbraw/zinc/71/86/86/343718686.db2.gz CGYCOVRJOWUVNO-JTQLQIEISA-N 1 0 232.327 2.064 10 0 BEAERO CCc1ccc(-c2cc(C[NH3+])nc(C)n2)cc1 ZINC000020384033 343774802 /nfs/dbraw/zinc/77/48/02/343774802.db2.gz RKTICSGXOHBEAJ-UHFFFAOYSA-N 1 0 227.311 2.473 10 0 BEAERO Cc1ccc(CC[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000090015182 343749772 /nfs/dbraw/zinc/74/97/72/343749772.db2.gz ZIDIECMKYWTZFY-OCCSQVGLSA-N 1 0 219.328 2.305 10 0 BEAERO [NH3+][C@@H]1CCC[C@H]1Nc1ccc(Cl)cn1 ZINC000063176969 343750248 /nfs/dbraw/zinc/75/02/48/343750248.db2.gz RPXQWUOLNTUSBY-RKDXNWHRSA-N 1 0 211.696 2.027 10 0 BEAERO CN1c2ccccc2[C@H](C2CC[NH2+]CC2)OC1=O ZINC000504562088 529833181 /nfs/dbraw/zinc/83/31/81/529833181.db2.gz HWIMUUBAQSCKEJ-ZDUSSCGKSA-N 1 0 246.310 2.314 10 0 BEAERO CC1CCN(c2cc(N)[nH+]c(C3CC3)n2)CC1 ZINC000126852674 343786935 /nfs/dbraw/zinc/78/69/35/343786935.db2.gz HYOMVCJJJLDRKH-UHFFFAOYSA-N 1 0 232.331 2.173 10 0 BEAERO [NH3+]C[C@@H](F)Cc1cccc(Br)c1 ZINC000156356941 343791420 /nfs/dbraw/zinc/79/14/20/343791420.db2.gz BGZSRTRBAKXXOU-VIFPVBQESA-N 1 0 232.096 2.288 10 0 BEAERO CC(C)(C)OC(=O)N1CC(CC(C)(C)C[NH3+])C1 ZINC000215854536 343792687 /nfs/dbraw/zinc/79/26/87/343792687.db2.gz AOJKUEUJUIXPQK-UHFFFAOYSA-N 1 0 242.363 2.228 10 0 BEAERO c1ccc2c(c1)CC[C@@H]2OC1CC[NH2+]CC1 ZINC000231562898 343794176 /nfs/dbraw/zinc/79/41/76/343794176.db2.gz AWGVHXGJTWAURY-AWEZNQCLSA-N 1 0 217.312 2.443 10 0 BEAERO [NH3+][C@H]1CC[C@H](Oc2nncc3ccccc32)CC1 ZINC000299910594 343796927 /nfs/dbraw/zinc/79/69/27/343796927.db2.gz RCACRXRLXZIJHE-HAQNSBGRSA-N 1 0 243.310 2.279 10 0 BEAERO F[C@H](CN1CC[NH2+]CC1)c1ccccc1Cl ZINC000409422384 343813443 /nfs/dbraw/zinc/81/34/43/343813443.db2.gz DHPKTKNFOWNPRR-GFCCVEGCSA-N 1 0 242.725 2.256 10 0 BEAERO CCn1cc(C2=CC[NH2+]CC2)c2cccnc21 ZINC000409423877 343816268 /nfs/dbraw/zinc/81/62/68/343816268.db2.gz VFPLMASGYYMJRK-UHFFFAOYSA-N 1 0 227.311 2.433 10 0 BEAERO FC1(F)C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000409429293 343805103 /nfs/dbraw/zinc/80/51/03/343805103.db2.gz CCIFSBIVNOUHNM-NSHDSACASA-N 1 0 225.238 2.293 10 0 BEAERO CCc1cc(-c2cccs2)nn1CC[NH3+] ZINC000409439970 343854037 /nfs/dbraw/zinc/85/40/37/343854037.db2.gz LEYJWNHTQKEQNR-UHFFFAOYSA-N 1 0 221.329 2.133 10 0 BEAERO C[NH2+]Cc1cn(CCF)nc1-c1ccsc1 ZINC000409439978 343854095 /nfs/dbraw/zinc/85/40/95/343854095.db2.gz RBWWWYTYGVIMLK-UHFFFAOYSA-N 1 0 239.319 2.301 10 0 BEAERO CC(C)c1cc(-c2ccncc2)nn1CC[NH3+] ZINC000409442147 343857356 /nfs/dbraw/zinc/85/73/56/343857356.db2.gz WZYSBHQXFYQCPF-UHFFFAOYSA-N 1 0 230.315 2.027 10 0 BEAERO NC(=[NH2+])CCc1c(C(F)(F)F)n[nH]c1C1CC1 ZINC000409441147 343855743 /nfs/dbraw/zinc/85/57/43/343855743.db2.gz WUIQYKVDARJCBT-UHFFFAOYSA-N 1 0 246.236 2.174 10 0 BEAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](C)SC2 ZINC000159055654 346994773 /nfs/dbraw/zinc/99/47/73/346994773.db2.gz NTISIMRZMWCDFF-WRWORJQWSA-N 1 0 209.314 2.330 10 0 BEAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](C)SC2 ZINC000159055385 346994884 /nfs/dbraw/zinc/99/48/84/346994884.db2.gz NTISIMRZMWCDFF-CPCISQLKSA-N 1 0 209.314 2.330 10 0 BEAERO CC(C)(C)OC(=O)Cc1ccc(CC(N)=[NH2+])cc1 ZINC000409434585 343834525 /nfs/dbraw/zinc/83/45/25/343834525.db2.gz YKMHBTQCYYIFRZ-UHFFFAOYSA-N 1 0 248.326 2.049 10 0 BEAERO c1coc(-c2cnn(C[C@H]3CCCC[NH2+]3)c2)c1 ZINC000409436783 343841124 /nfs/dbraw/zinc/84/11/24/343841124.db2.gz AOBVQANNYZUMJC-GFCCVEGCSA-N 1 0 231.299 2.285 10 0 BEAERO CC(C)n1nc([C@H]2CCC[NH2+]C2)c2c1CCC2 ZINC000409436787 343841345 /nfs/dbraw/zinc/84/13/45/343841345.db2.gz AOMFFMDEJOHVBX-NSHDSACASA-N 1 0 233.359 2.420 10 0 BEAERO c1coc(-c2cnn(C[C@H]3CCC[NH2+]C3)c2)c1 ZINC000409437059 343842342 /nfs/dbraw/zinc/84/23/42/343842342.db2.gz DBZUXAAZLMXACU-NSHDSACASA-N 1 0 231.299 2.143 10 0 BEAERO C[N@@H+]1C[C@@H](CO)C[C@H]1c1ccc(Cl)cc1 ZINC000409437628 343842954 /nfs/dbraw/zinc/84/29/54/343842954.db2.gz AKWHEZZITCJFAD-CABZTGNLSA-N 1 0 225.719 2.325 10 0 BEAERO [NH3+]CCc1c(C2CC2)[nH]nc1C1CCC1 ZINC000409438779 343845314 /nfs/dbraw/zinc/84/53/14/343845314.db2.gz FYBQVQMPPOCAJR-UHFFFAOYSA-N 1 0 205.305 2.056 10 0 BEAERO Nc1cc(-c2ccsc2)nn1C1CC[NH2+]CC1 ZINC000409438231 343849714 /nfs/dbraw/zinc/84/97/14/343849714.db2.gz KZOLCZGXCXGRNI-UHFFFAOYSA-N 1 0 248.355 2.118 10 0 BEAERO C[NH2+]Cc1c(-c2ccccn2)n[nH]c1C1CC1 ZINC000409440196 343851130 /nfs/dbraw/zinc/85/11/30/343851130.db2.gz LLLRLSJFAQSDII-UHFFFAOYSA-N 1 0 228.299 2.069 10 0 BEAERO CC(C)Cc1[nH]nc(C2CCC2)c1CC[NH3+] ZINC000409440160 343851349 /nfs/dbraw/zinc/85/13/49/343851349.db2.gz LJIFQJUKIRQWPS-UHFFFAOYSA-N 1 0 221.348 2.377 10 0 BEAERO C[NH2+][C@@H]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000409440298 343851992 /nfs/dbraw/zinc/85/19/92/343851992.db2.gz KNILMTLVOPFDSZ-DTWKUNHWSA-N 1 0 209.293 2.049 10 0 BEAERO C[NH2+][C@H]1CCC[C@H]1c1noc(C(C)(C)C)n1 ZINC000409440516 343852356 /nfs/dbraw/zinc/85/23/56/343852356.db2.gz LKIOXOHNCDVWTQ-BDAKNGLRSA-N 1 0 223.320 2.223 10 0 BEAERO [NH3+]CCCc1cnn(C/C=C/c2ccccc2)c1 ZINC000575623255 343875734 /nfs/dbraw/zinc/87/57/34/343875734.db2.gz CDNNFUFGPPOHMK-WEVVVXLNSA-N 1 0 241.338 2.488 10 0 BEAERO C[N@@H+]1C[C@@H](CO)C[C@H]1c1cccc(Cl)c1 ZINC000409442297 343857916 /nfs/dbraw/zinc/85/79/16/343857916.db2.gz UPUMMBCBMAMHRE-CABZTGNLSA-N 1 0 225.719 2.325 10 0 BEAERO NC(=[NH2+])c1cc(-c2ccsc2)nn1C(F)F ZINC000409443839 343863423 /nfs/dbraw/zinc/86/34/23/343863423.db2.gz VFUDQIVUYCWDOL-UHFFFAOYSA-N 1 0 242.254 2.291 10 0 BEAERO [NH3+]Cc1cc(-c2cccs2)nn1C(F)F ZINC000409442843 343864404 /nfs/dbraw/zinc/86/44/04/343864404.db2.gz BWSYWRAGWNPYDN-UHFFFAOYSA-N 1 0 229.255 2.465 10 0 BEAERO C[NH2+]Cc1cc(-c2ccccn2)nn1C(C)C ZINC000409443147 343866100 /nfs/dbraw/zinc/86/61/00/343866100.db2.gz HSVPIBVHSALKJF-UHFFFAOYSA-N 1 0 230.315 2.245 10 0 BEAERO CCc1cc(C(F)(F)F)nn1[C@@H]1CCC[NH2+]C1 ZINC000409443242 343866508 /nfs/dbraw/zinc/86/65/08/343866508.db2.gz JRGZEDVLYDXBGR-SECBINFHSA-N 1 0 247.264 2.389 10 0 BEAERO Nc1cc[nH+]cc1C(=O)C1CCCCC1 ZINC000000014636 343867804 /nfs/dbraw/zinc/86/78/04/343867804.db2.gz AYEHWOSQMXSIMD-UHFFFAOYSA-N 1 0 204.273 2.427 10 0 BEAERO C[NH2+]CCCc1cnn(CC2CC(C)(C)C2)c1 ZINC000575623326 343875578 /nfs/dbraw/zinc/87/55/78/343875578.db2.gz IXVUZGPUCCLLMW-UHFFFAOYSA-N 1 0 235.375 2.471 10 0 BEAERO [NH3+][C@@]1(c2cccc(Cl)c2)CCCOC1 ZINC000070012103 343946037 /nfs/dbraw/zinc/94/60/37/343946037.db2.gz AFTYNYDITNEQNH-NSHDSACASA-N 1 0 211.692 2.304 10 0 BEAERO [NH3+][C@]1(CCc2cccs2)CCCOC1 ZINC000070012779 343946647 /nfs/dbraw/zinc/94/66/47/343946647.db2.gz KBQQZUJIUDNFOE-NSHDSACASA-N 1 0 211.330 2.189 10 0 BEAERO Cc1ccc(C[NH2+]Cc2ccnc(C)n2)cc1 ZINC000037997720 178615258 /nfs/dbraw/zinc/61/52/58/178615258.db2.gz ZYOCQBGSDKHNAX-UHFFFAOYSA-N 1 0 227.311 2.383 10 0 BEAERO C[NH2+][C@@]1(c2nc(C)cs2)CCS[C@@H]1C ZINC000234443216 343966563 /nfs/dbraw/zinc/96/65/63/343966563.db2.gz BMVJYLWVLAQLJF-SCZZXKLOSA-N 1 0 228.386 2.392 10 0 BEAERO CSC[C@H](C)Nc1[nH+]cc(N)cc1C ZINC000127222753 344055130 /nfs/dbraw/zinc/05/51/30/344055130.db2.gz CUEVXHUDIYDEEM-QMMMGPOBSA-N 1 0 211.334 2.136 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1N ZINC000045137862 178623801 /nfs/dbraw/zinc/62/38/01/178623801.db2.gz OILDFRUOUOCIOJ-GFCCVEGCSA-N 1 0 204.317 2.465 10 0 BEAERO [NH3+]CCCNc1ccc(F)cc1Br ZINC000135267697 344068880 /nfs/dbraw/zinc/06/88/80/344068880.db2.gz DQYHRYYJFCBAJU-UHFFFAOYSA-N 1 0 247.111 2.349 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000335919689 344086622 /nfs/dbraw/zinc/08/66/22/344086622.db2.gz UEVSTUYBTLCFNQ-QWRGUYRKSA-N 1 0 249.276 2.484 10 0 BEAERO C/C=C\C(=O)N1CCCc2c(C[NH3+])cccc21 ZINC000616569639 344171123 /nfs/dbraw/zinc/17/11/23/344171123.db2.gz BQNZLUCKXFBNLS-DJWKRKHSSA-N 1 0 230.311 2.001 10 0 BEAERO CCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000083389801 344175541 /nfs/dbraw/zinc/17/55/41/344175541.db2.gz SSHNDDOPBFBFMU-RWMBFGLXSA-N 1 0 210.365 2.249 10 0 BEAERO Cc1ccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)cc1 ZINC000634735979 344124333 /nfs/dbraw/zinc/12/43/33/344124333.db2.gz WHYRAQPFSPGWBF-WFASDCNBSA-N 1 0 244.338 2.323 10 0 BEAERO [NH3+]Cc1ncc(-c2ccccc2F)s1 ZINC000220301801 344149376 /nfs/dbraw/zinc/14/93/76/344149376.db2.gz OXQBMEAJYHHKCK-UHFFFAOYSA-N 1 0 208.261 2.408 10 0 BEAERO CC(C)=CC(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616572309 344183872 /nfs/dbraw/zinc/18/38/72/344183872.db2.gz KLVZNHDVCLGMPA-LLVKDONJSA-N 1 0 232.327 2.289 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1nccn1C ZINC000132292839 344297622 /nfs/dbraw/zinc/29/76/22/344297622.db2.gz OPRGMZKLLJWBID-HBNTYKKESA-N 1 0 207.321 2.259 10 0 BEAERO CO[C@H](C)[C@H](C)[NH2+]CCc1ccsc1 ZINC000132299231 344297707 /nfs/dbraw/zinc/29/77/07/344297707.db2.gz WQICCCWYHMOFCB-VHSXEESVSA-N 1 0 213.346 2.304 10 0 BEAERO FC(F)Oc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000220080016 344313649 /nfs/dbraw/zinc/31/36/49/344313649.db2.gz VSXMXGUCZFQLNA-UHFFFAOYSA-N 1 0 243.253 2.419 10 0 BEAERO CC[C@H](C)C[NH2+]C[C@H](C)N(CC)CC ZINC000133521869 344319229 /nfs/dbraw/zinc/31/92/29/344319229.db2.gz WGTJHKIPXMENRT-RYUDHWBXSA-N 1 0 200.370 2.352 10 0 BEAERO CCC[C@H](C)C[NH2+]CCN1CCSCC1 ZINC000133670272 344320833 /nfs/dbraw/zinc/32/08/33/344320833.db2.gz FCEFMQJAIYTCJQ-LBPRGKRZSA-N 1 0 230.421 2.061 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CN1c1nc2ccccc2s1 ZINC000385106031 344326234 /nfs/dbraw/zinc/32/62/34/344326234.db2.gz QWDJXXMKTZDEIY-IUCAKERBSA-N 1 0 233.340 2.222 10 0 BEAERO CCCCCC[C@@H]([C@@H](C)O)n1cnc(C[NH3+])c1 ZINC000028217862 344353092 /nfs/dbraw/zinc/35/30/92/344353092.db2.gz YSOLMNPLEMKSDU-YPMHNXCESA-N 1 0 239.363 2.234 10 0 BEAERO Cc1ccc(Cl)cc1N1CC[C@H]([NH3+])C1 ZINC000033426899 178663407 /nfs/dbraw/zinc/66/34/07/178663407.db2.gz MYAUNICNUSWRMO-JTQLQIEISA-N 1 0 210.708 2.186 10 0 BEAERO COc1ccc(OC(F)(F)F)c(C[NH3+])c1 ZINC000238384425 344442283 /nfs/dbraw/zinc/44/22/83/344442283.db2.gz PAXOGQBGXGNLDT-UHFFFAOYSA-N 1 0 221.178 2.053 10 0 BEAERO CC(C)(C[NH3+])C(=O)c1ccc(F)c(F)c1 ZINC000220706843 344572004 /nfs/dbraw/zinc/57/20/04/344572004.db2.gz LIVJRNINNZVYCQ-UHFFFAOYSA-N 1 0 213.227 2.132 10 0 BEAERO CC[C@H]([NH2+]CC1CC(O)C1)C1CCCC1 ZINC000387512065 344512911 /nfs/dbraw/zinc/51/29/11/344512911.db2.gz FTHVPJLWQLJVQM-GDKBPFBDSA-N 1 0 211.349 2.316 10 0 BEAERO CCC[C@@]1(NCc2ccccc2)CC[NH2+]C1 ZINC000306926295 344517989 /nfs/dbraw/zinc/51/79/89/344517989.db2.gz PROGGNBRWVTRPZ-CQSZACIVSA-N 1 0 218.344 2.308 10 0 BEAERO CC[N@@H+]1CCC[C@@H](Nc2cncc(Cl)n2)C1 ZINC000043538090 344526810 /nfs/dbraw/zinc/52/68/10/344526810.db2.gz BHKVPOZDNMJQDZ-SECBINFHSA-N 1 0 240.738 2.026 10 0 BEAERO [NH3+][C@@H](CCO)c1ccc(C(F)(F)F)c(F)c1 ZINC000044233316 344536327 /nfs/dbraw/zinc/53/63/27/344536327.db2.gz IYNLFXHJQWYZOH-VIFPVBQESA-N 1 0 237.196 2.227 10 0 BEAERO [NH3+][C@H](CCO)c1ccc(C(F)(F)F)cc1F ZINC000044233030 344536576 /nfs/dbraw/zinc/53/65/76/344536576.db2.gz NLNYAEPREUTQSF-SECBINFHSA-N 1 0 237.196 2.227 10 0 BEAERO C[C@](F)(C[NH3+])[C@@H]1CCOC2(CCC2)C1 ZINC000158252653 344574979 /nfs/dbraw/zinc/57/49/79/344574979.db2.gz MNSSQPJTIIOEJO-ZJUUUORDSA-N 1 0 201.285 2.023 10 0 BEAERO CC[C@@](F)(C[NH3+])c1cc(F)cc(F)c1 ZINC000158325382 344597313 /nfs/dbraw/zinc/59/73/13/344597313.db2.gz GZTDFCGDTSHWAJ-SNVBAGLBSA-N 1 0 203.207 2.498 10 0 BEAERO CC(=O)CC[N@@H+](C)Cc1cccc(F)c1 ZINC000047979724 344581404 /nfs/dbraw/zinc/58/14/04/344581404.db2.gz KERJKRQDYSYTQG-UHFFFAOYSA-N 1 0 209.264 2.237 10 0 BEAERO [NH3+][C@H]1CCC[C@](F)(Cc2nccs2)C1 ZINC000158425402 344649474 /nfs/dbraw/zinc/64/94/74/344649474.db2.gz HPUMCFIZYAKRPG-WCBMZHEXSA-N 1 0 214.309 2.295 10 0 BEAERO OCC[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000224191363 344658129 /nfs/dbraw/zinc/65/81/29/344658129.db2.gz OKDHAVBYMIFSCA-ZDUSSCGKSA-N 1 0 223.291 2.345 10 0 BEAERO CC[NH+](CC)CCC[C@@H](C)Nc1cccnn1 ZINC000052815896 344669518 /nfs/dbraw/zinc/66/95/18/344669518.db2.gz KZPWPRAGXOLBMR-GFCCVEGCSA-N 1 0 236.363 2.399 10 0 BEAERO FCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000390005144 259379046 /nfs/dbraw/zinc/37/90/46/259379046.db2.gz WDGGRNIIJIFDSB-IJLUTSLNSA-N 1 0 215.312 2.283 10 0 BEAERO Cn1cc[nH+]c1NCCc1cccs1 ZINC000050605723 344719850 /nfs/dbraw/zinc/71/98/50/344719850.db2.gz LFESRWIBNSRQQH-UHFFFAOYSA-N 1 0 207.302 2.136 10 0 BEAERO OCc1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000231174076 344737473 /nfs/dbraw/zinc/73/74/73/344737473.db2.gz OKJBXGDIFRKNEB-CYBMUJFWSA-N 1 0 205.301 2.384 10 0 BEAERO FC(F)(F)c1ccc(NC2CC[NH2+]CC2)cn1 ZINC000116931075 344738035 /nfs/dbraw/zinc/73/80/35/344738035.db2.gz QRDTXNYTRFYYAT-UHFFFAOYSA-N 1 0 245.248 2.264 10 0 BEAERO C[N@H+](C[C@H]1C[C@@H](O)C1)C[C@H]1Cc2ccccc21 ZINC000626046435 344697190 /nfs/dbraw/zinc/69/71/90/344697190.db2.gz CPZAHSDFRYOTGH-BNOWGMLFSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@@H]1CCCC[C@H]1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400378081 537855470 /nfs/dbraw/zinc/85/54/70/537855470.db2.gz DLCVRMBCDXDIPS-CKYFFXLPSA-N 1 0 219.332 2.423 10 0 BEAERO CO[C@@]1(C[NH3+])CCc2cc(Cl)ccc21 ZINC000128025690 344715813 /nfs/dbraw/zinc/71/58/13/344715813.db2.gz KKOGKTLUZMQDBP-LLVKDONJSA-N 1 0 211.692 2.087 10 0 BEAERO COc1ccc([C@@H](O)[C@H]([NH3+])CC(C)C)cc1C ZINC000033466276 344758535 /nfs/dbraw/zinc/75/85/35/344758535.db2.gz GEGBNEYSIHNNIN-TZMCWYRMSA-N 1 0 237.343 2.410 10 0 BEAERO c1nc2c([nH]1)C1(CCCCCCC1)[NH2+]CC2 ZINC000400411096 537856427 /nfs/dbraw/zinc/85/64/27/537856427.db2.gz WJRAIKHDZBHKPY-UHFFFAOYSA-N 1 0 219.332 2.495 10 0 BEAERO CC1(C)CCC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400455504 537857198 /nfs/dbraw/zinc/85/71/98/537857198.db2.gz QFYMUAIOWPHBAJ-CYBMUJFWSA-N 1 0 219.332 2.351 10 0 BEAERO CC[C@@H]1CC=C([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052725 537859549 /nfs/dbraw/zinc/85/95/49/537859549.db2.gz IGRHHORDNMIIEX-PSASIEDQSA-N 1 0 237.265 2.375 10 0 BEAERO Clc1cccc(Cl)c1COC1C[NH2+]C1 ZINC000062809866 347082171 /nfs/dbraw/zinc/08/21/71/347082171.db2.gz AGHAGBPQPKVOOL-UHFFFAOYSA-N 1 0 232.110 2.482 10 0 BEAERO Cc1ccc(NC(=O)[C@H](C)CCC[NH3+])cc1 ZINC000076610280 178747098 /nfs/dbraw/zinc/74/70/98/178747098.db2.gz JFAJGVXOZCWIRD-LLVKDONJSA-N 1 0 220.316 2.309 10 0 BEAERO CC[C@@H]1CCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000388690437 344850242 /nfs/dbraw/zinc/85/02/42/344850242.db2.gz LQVGFIWEKVXSTE-JHJVBQTASA-N 1 0 238.375 2.071 10 0 BEAERO CC[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000388690441 344850366 /nfs/dbraw/zinc/85/03/66/344850366.db2.gz LQVGFIWEKVXSTE-YNEHKIRRSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1OCC[C@@H]1SC1CCC([NH3+])CC1 ZINC000235294704 344875677 /nfs/dbraw/zinc/87/56/77/344875677.db2.gz PYPBRUYRGPVQOY-PMUOWJKOSA-N 1 0 215.362 2.167 10 0 BEAERO Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC000049568924 178772885 /nfs/dbraw/zinc/77/28/85/178772885.db2.gz XAHKRACUWGIKLY-CHWSQXEVSA-N 1 0 231.343 2.429 10 0 BEAERO Cc1ccc(N[C@@H]2CCC[NH2+]C2)cc1F ZINC000043324319 178773254 /nfs/dbraw/zinc/77/32/54/178773254.db2.gz LYDKHWGKOFOVCF-LLVKDONJSA-N 1 0 208.280 2.298 10 0 BEAERO C[C@@H]1SCC[C@]12[NH2+]CC[C@@H](C)S2 ZINC000235332793 344887101 /nfs/dbraw/zinc/88/71/01/344887101.db2.gz RFAIRHLRQXDYIU-HRDYMLBCSA-N 1 0 203.376 2.323 10 0 BEAERO C[C@H]1SCC[C@@]12[NH2+]C[C@@H](C)CS2 ZINC000235364204 344894668 /nfs/dbraw/zinc/89/46/68/344894668.db2.gz FSLFRPLVDASOLK-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO CC[NH2+][C@@H](C)c1cn(Cc2ccc(C)cc2)nn1 ZINC000311130020 344923645 /nfs/dbraw/zinc/92/36/45/344923645.db2.gz ZSOHGSVXGLPAKF-LBPRGKRZSA-N 1 0 244.342 2.305 10 0 BEAERO CC[NH2+][C@H](C)c1cn(Cc2ccc(C)cc2)nn1 ZINC000311130018 344924071 /nfs/dbraw/zinc/92/40/71/344924071.db2.gz ZSOHGSVXGLPAKF-GFCCVEGCSA-N 1 0 244.342 2.305 10 0 BEAERO [NH3+]C[C@]1(CC2CCOCC2)CCCS1 ZINC000166507563 344913485 /nfs/dbraw/zinc/91/34/85/344913485.db2.gz PEGFMKABZSYVSA-LLVKDONJSA-N 1 0 215.362 2.028 10 0 BEAERO C[C@H]1CCC[C@H](C[NH+]2CCC(=O)CC2)C1 ZINC000235607299 344953434 /nfs/dbraw/zinc/95/34/34/344953434.db2.gz FVEYWUUVLZVRRH-RYUDHWBXSA-N 1 0 209.333 2.478 10 0 BEAERO C[C@@H]1CC[NH2+][C@H]([C@@H]2CCSC2)S1 ZINC000224675826 344966098 /nfs/dbraw/zinc/96/60/98/344966098.db2.gz IJJBETIOWBEQEH-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO Fc1cc(Br)c2c(c1)C[NH2+]CC2 ZINC000224551834 344944755 /nfs/dbraw/zinc/94/47/55/344944755.db2.gz LBIUHKQWHNECMJ-UHFFFAOYSA-N 1 0 230.080 2.234 10 0 BEAERO C[C@H](O)[C@H](C)S[C@@H]1CCC(C)(C)[C@@H]1[NH3+] ZINC000235593718 344950765 /nfs/dbraw/zinc/95/07/65/344950765.db2.gz ASPSHBHTDNCRIS-AXTSPUMRSA-N 1 0 217.378 2.005 10 0 BEAERO Cc1ccc([C@@H]([NH3+])CCO)c(Br)c1 ZINC000044234470 344987784 /nfs/dbraw/zinc/98/77/84/344987784.db2.gz GTXGTLHJICYKRH-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO COc1ccc2cc([C@H]([NH3+])CCO)ccc2c1 ZINC000044233106 344988490 /nfs/dbraw/zinc/98/84/90/344988490.db2.gz BLVUUPFBKADXGK-CQSZACIVSA-N 1 0 231.295 2.231 10 0 BEAERO COc1ccc2ccccc2c1[C@H]([NH3+])CCO ZINC000044232330 344988546 /nfs/dbraw/zinc/98/85/46/344988546.db2.gz VKBFAOOZWPSWPT-GFCCVEGCSA-N 1 0 231.295 2.231 10 0 BEAERO [NH3+][C@@H](CCO)c1cc(F)cc(C(F)(F)F)c1 ZINC000044233045 344988593 /nfs/dbraw/zinc/98/85/93/344988593.db2.gz QVVMRNSPQCHMDO-VIFPVBQESA-N 1 0 237.196 2.227 10 0 BEAERO [NH3+][C@@H](CCO)c1c(F)ccc(Cl)c1F ZINC000044233442 344989143 /nfs/dbraw/zinc/98/91/43/344989143.db2.gz RELYCYOALAIZJR-ZETCQYMHSA-N 1 0 221.634 2.000 10 0 BEAERO CC(=O)n1cc([C@H]2CC[NH2+]2)c2ccccc21 ZINC000044258024 344994982 /nfs/dbraw/zinc/99/49/82/344994982.db2.gz KJKZEKOIKVBXEB-GFCCVEGCSA-N 1 0 214.268 2.336 10 0 BEAERO FC1(F)Oc2cccc([C@H]3CC[NH2+]3)c2O1 ZINC000044257961 344997007 /nfs/dbraw/zinc/99/70/07/344997007.db2.gz IJMBNYPHMRKFTA-SSDOTTSWSA-N 1 0 213.183 2.043 10 0 BEAERO COc1cc([C@@H]([NH3+])CF)cc(Cl)c1O ZINC000238417182 345045787 /nfs/dbraw/zinc/04/57/87/345045787.db2.gz ITJRVYVIALYEMG-ZETCQYMHSA-N 1 0 219.643 2.024 10 0 BEAERO COc1cc([C@H]([NH3+])CF)ccc1Cl ZINC000238424853 345046298 /nfs/dbraw/zinc/04/62/98/345046298.db2.gz HKFYZFAFOGPHCS-MRVPVSSYSA-N 1 0 203.644 2.318 10 0 BEAERO C[C@@H](C[NH3+])c1nc2c(s1)C[C@H](C)CC2 ZINC000011883545 345051424 /nfs/dbraw/zinc/05/14/24/345051424.db2.gz RDSNCAZREJSWBF-SFYZADRCSA-N 1 0 210.346 2.330 10 0 BEAERO Cc1csc(NCC[C@H]2CCC[NH2+]2)n1 ZINC000159273982 349922279 /nfs/dbraw/zinc/92/22/79/349922279.db2.gz ONEFMHPRKTZHSH-SECBINFHSA-N 1 0 211.334 2.006 10 0 BEAERO CCC[C@H](C(=O)N1CCC2(CCC2)C1)[NH+](C)C ZINC000154242151 345022360 /nfs/dbraw/zinc/02/23/60/345022360.db2.gz NHBCWKWHAVLLJN-GFCCVEGCSA-N 1 0 238.375 2.119 10 0 BEAERO Cc1ccc([C@H]([NH3+])Cn2cccn2)c(C)c1 ZINC000011849771 345032923 /nfs/dbraw/zinc/03/29/23/345032923.db2.gz CBPONZMMUWPMFV-CYBMUJFWSA-N 1 0 215.300 2.200 10 0 BEAERO C[C@H](N[C@H]1CCCC[C@H]1[NH3+])c1nccs1 ZINC000248081824 345035431 /nfs/dbraw/zinc/03/54/31/345035431.db2.gz QFBAZHKNXKPXAC-AEJSXWLSSA-N 1 0 225.361 2.064 10 0 BEAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC2CCC2)C1 ZINC000155364716 345077343 /nfs/dbraw/zinc/07/73/43/345077343.db2.gz ORWDYRVHWMRDLS-YPMHNXCESA-N 1 0 238.375 2.022 10 0 BEAERO N[C@H](C[NH3+])c1cccc(OCc2ccccc2)c1 ZINC000044469091 345084943 /nfs/dbraw/zinc/08/49/43/345084943.db2.gz AHOCQBHKYVGQMC-OAHLLOKOSA-N 1 0 242.322 2.224 10 0 BEAERO CCn1cc(C2CC[NH+](CC3CC3)CC2)cn1 ZINC000155962768 345116860 /nfs/dbraw/zinc/11/68/60/345116860.db2.gz KIQNIWUAJRCQDT-UHFFFAOYSA-N 1 0 233.359 2.492 10 0 BEAERO [NH3+]C1(c2ccc3sccc3c2)COC1 ZINC000238591224 345088369 /nfs/dbraw/zinc/08/83/69/345088369.db2.gz ZILDQXLATJUNSC-UHFFFAOYSA-N 1 0 205.282 2.086 10 0 BEAERO [NH3+]Cc1cc(Cl)cnc1OC(F)(F)F ZINC000238656816 345102842 /nfs/dbraw/zinc/10/28/42/345102842.db2.gz OMHMZVBFNQVPQS-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO Cn1ccnc1CC1CC[NH+](CC2CC2)CC1 ZINC000156211638 345139085 /nfs/dbraw/zinc/13/90/85/345139085.db2.gz DSQNUCBARZGMJY-UHFFFAOYSA-N 1 0 233.359 2.085 10 0 BEAERO Cc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000635010949 345212778 /nfs/dbraw/zinc/21/27/78/345212778.db2.gz WTIOIFBRYAAMCN-NEPJUHHUSA-N 1 0 222.332 2.066 10 0 BEAERO Cc1ccc(Br)cc1O[C@@H](C)C[NH3+] ZINC000228330069 345323345 /nfs/dbraw/zinc/32/33/45/345323345.db2.gz IJZCWZFQAVMCKE-QMMMGPOBSA-N 1 0 244.132 2.484 10 0 BEAERO Cc1ccc([C@@H]([NH3+])COC[C@@H]2CCOC2)cc1 ZINC000049689415 178859838 /nfs/dbraw/zinc/85/98/38/178859838.db2.gz NOOYZNMZYRASQP-OCCSQVGLSA-N 1 0 235.327 2.048 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nccs1 ZINC000135117722 345432625 /nfs/dbraw/zinc/43/26/25/345432625.db2.gz XMSZOBJGIHHAQH-LLVKDONJSA-N 1 0 239.388 2.059 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1CCc1nccs1 ZINC000135529379 345444327 /nfs/dbraw/zinc/44/43/27/345444327.db2.gz IHBMLHHEJOVSLZ-VHSXEESVSA-N 1 0 210.346 2.321 10 0 BEAERO Cc1nc2[nH]ccc2c(N2CCS[C@@H](C)C2)n1 ZINC000080985996 345458387 /nfs/dbraw/zinc/45/83/87/345458387.db2.gz QEFIOMVTALHWPI-QMMMGPOBSA-N 1 0 248.355 2.208 10 0 BEAERO Fc1ccc(SC2C[NH2+]C2)c(F)c1 ZINC000054931790 345561237 /nfs/dbraw/zinc/56/12/37/345561237.db2.gz ZBYIINWFHPSCQY-UHFFFAOYSA-N 1 0 201.241 2.029 10 0 BEAERO CC[C@@](C)(C[NH3+])C(=O)Nc1ccsc1 ZINC000128177315 345519093 /nfs/dbraw/zinc/51/90/93/345519093.db2.gz RHOHHCYIHLGGGL-JTQLQIEISA-N 1 0 212.318 2.062 10 0 BEAERO FC(F)COCCC[NH2+]Cc1ccccc1 ZINC000158856099 345608062 /nfs/dbraw/zinc/60/80/62/345608062.db2.gz BHIWSXSOXIBXAG-UHFFFAOYSA-N 1 0 229.270 2.448 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CCO[C@H]2C)cs1 ZINC000229450829 345609098 /nfs/dbraw/zinc/60/90/98/345609098.db2.gz QBJNZHDCTBRPMH-LSJOCFKGSA-N 1 0 211.330 2.481 10 0 BEAERO OC1(C2CC2)C[NH+](CC2CCCCC2)C1 ZINC000091383419 345591403 /nfs/dbraw/zinc/59/14/03/345591403.db2.gz OITWOBHOXYPOOP-UHFFFAOYSA-N 1 0 209.333 2.023 10 0 BEAERO CCOC(=O)[C@@H](CC)C[NH2+]CCc1ccccc1 ZINC000032197200 345745646 /nfs/dbraw/zinc/74/56/46/345745646.db2.gz WWENWQINCNDYFU-AWEZNQCLSA-N 1 0 249.354 2.408 10 0 BEAERO [NH3+]CC(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000113375128 345753483 /nfs/dbraw/zinc/75/34/83/345753483.db2.gz VLLYIHNARTZJTM-UHFFFAOYSA-N 1 0 229.279 2.188 10 0 BEAERO COc1cc2c(cn1)C[N@@H+](C(C)(C)C)CC2 ZINC000114158126 345755773 /nfs/dbraw/zinc/75/57/73/345755773.db2.gz YUZCTAMEDAVCLG-UHFFFAOYSA-N 1 0 220.316 2.247 10 0 BEAERO C/C(=[NH+]\c1ccc(Br)cn1)N(C)C ZINC000114237442 345755860 /nfs/dbraw/zinc/75/58/60/345755860.db2.gz BEEGJLLYCMCQRU-KPKJPENVSA-N 1 0 242.120 2.456 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@@H]2C1 ZINC000143738984 345707559 /nfs/dbraw/zinc/70/75/59/345707559.db2.gz UURMUTBKRZANQD-HRCADAONSA-N 1 0 245.366 2.322 10 0 BEAERO CC[C@@H]([NH2+]CCc1nc(C)no1)[C@H]1CC1(C)C ZINC000397776287 323095585 /nfs/dbraw/zinc/09/55/85/323095585.db2.gz WFOBEIHCMGAOCF-GHMZBOCLSA-N 1 0 237.347 2.335 10 0 BEAERO CC[NH+]1CCC2(CC1)c1cccc(C)c1NC2=O ZINC000033824260 345816258 /nfs/dbraw/zinc/81/62/58/345816258.db2.gz TXYHZCLXOQWSKX-UHFFFAOYSA-N 1 0 244.338 2.301 10 0 BEAERO Clc1ccccc1-c1nc([C@@H]2CC[NH2+]C2)no1 ZINC000257991072 345779324 /nfs/dbraw/zinc/77/93/24/345779324.db2.gz OXTVNEYAIPEZOH-MRVPVSSYSA-N 1 0 249.701 2.467 10 0 BEAERO Clc1cccc(-c2nc([C@H]3CC[NH2+]C3)no2)c1 ZINC000258071641 345780001 /nfs/dbraw/zinc/78/00/01/345780001.db2.gz UUYCABFEBRBSRN-VIFPVBQESA-N 1 0 249.701 2.467 10 0 BEAERO Cc1nc(C[NH3+])cc(-c2c(F)cccc2F)n1 ZINC000257610759 345780892 /nfs/dbraw/zinc/78/08/92/345780892.db2.gz UBDQLAUQVPGNMC-UHFFFAOYSA-N 1 0 235.237 2.189 10 0 BEAERO C[N@H+](CCO)C[C@H]1CCc2ccc(Cl)cc21 ZINC000163963065 345781671 /nfs/dbraw/zinc/78/16/71/345781671.db2.gz IDCNHGMCXHVFAG-LLVKDONJSA-N 1 0 239.746 2.294 10 0 BEAERO C[C@@H]1CCCn2cc([C@H]3CCC[NH2+]C3)nc21 ZINC000258432879 345783499 /nfs/dbraw/zinc/78/34/99/345783499.db2.gz OUYMBPRSKZKHEJ-MNOVXSKESA-N 1 0 219.332 2.247 10 0 BEAERO C[C@H]1CCCn2cc([C@@H]3CCC[NH2+]C3)nc21 ZINC000258432888 345783582 /nfs/dbraw/zinc/78/35/82/345783582.db2.gz OUYMBPRSKZKHEJ-WDEREUQCSA-N 1 0 219.332 2.247 10 0 BEAERO Oc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000136062586 345784949 /nfs/dbraw/zinc/78/49/49/345784949.db2.gz IASCSVZJIDLDNH-UHFFFAOYSA-N 1 0 203.241 2.275 10 0 BEAERO Cc1ccc([C@H]([C@@H](C)[NH3+])n2cccn2)cc1 ZINC000042910061 178918323 /nfs/dbraw/zinc/91/83/23/178918323.db2.gz YTIQXCQPTLKMDU-YPMHNXCESA-N 1 0 215.300 2.128 10 0 BEAERO COCOc1cc(C[NH3+])ccc1-c1ccccn1 ZINC000140848724 345858636 /nfs/dbraw/zinc/85/86/36/345858636.db2.gz IIGOJRGZTLRTSO-UHFFFAOYSA-N 1 0 244.294 2.190 10 0 BEAERO C[NH+](C)CC[C@@H]1Cc2ccc(F)cc2C1=O ZINC000034542371 345830663 /nfs/dbraw/zinc/83/06/63/345830663.db2.gz WFYCEAZMAFJHKY-SNVBAGLBSA-N 1 0 221.275 2.132 10 0 BEAERO COC(=O)c1ccc(CC[NH+]2CCCC2)cc1 ZINC000034432573 345833407 /nfs/dbraw/zinc/83/34/07/345833407.db2.gz UQDFKRZFZLPMPJ-UHFFFAOYSA-N 1 0 233.311 2.112 10 0 BEAERO C[NH2+]C[C@@H]1CCCc2c(OC)cccc21 ZINC000034438519 345833690 /nfs/dbraw/zinc/83/36/90/345833690.db2.gz YAUWQVINZZBYPU-JTQLQIEISA-N 1 0 205.301 2.335 10 0 BEAERO COc1cccc2c1C[C@@]1(CCCC[NH2+]1)CO2 ZINC000034591728 345834590 /nfs/dbraw/zinc/83/45/90/345834590.db2.gz DMXNWPPPNAXGOX-AWEZNQCLSA-N 1 0 233.311 2.142 10 0 BEAERO [NH3+]C[C@@H]1CCc2ccc(C(F)(F)F)cc2O1 ZINC000221272011 345863380 /nfs/dbraw/zinc/86/33/80/345863380.db2.gz VLXNVAFXXNUPDV-VIFPVBQESA-N 1 0 231.217 2.358 10 0 BEAERO CC(C)(C)OC(=O)NCCC[C@H]1CCC[NH2+]C1 ZINC000143546197 345866087 /nfs/dbraw/zinc/86/60/87/345866087.db2.gz NAOZBNITTNODJE-LLVKDONJSA-N 1 0 242.363 2.291 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000252429252 345902595 /nfs/dbraw/zinc/90/25/95/345902595.db2.gz ZLKRPNRIZXZFNJ-XQHKEYJVSA-N 1 0 211.349 2.458 10 0 BEAERO C[C@@H](C(=O)c1ccsc1)[C@H]1CCC[NH2+]1 ZINC000307520280 537922974 /nfs/dbraw/zinc/92/29/74/537922974.db2.gz XPRVJADXBIMRPW-PSASIEDQSA-N 1 0 209.314 2.319 10 0 BEAERO Cc1cc(C)cc([C@@H]([NH3+])CC2OCCO2)c1 ZINC000235817793 345924575 /nfs/dbraw/zinc/92/45/75/345924575.db2.gz LJVZWKKCXMUVJK-LBPRGKRZSA-N 1 0 221.300 2.066 10 0 BEAERO C[C@@H](C(=O)c1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000307520281 537923703 /nfs/dbraw/zinc/92/37/03/537923703.db2.gz XPRVJADXBIMRPW-SCZZXKLOSA-N 1 0 209.314 2.319 10 0 BEAERO CC(C)(O)[C@H]([NH3+])CCC(F)(F)C(F)(F)F ZINC000145645493 345939901 /nfs/dbraw/zinc/93/99/01/345939901.db2.gz WMYXEBSSAUGZFV-RXMQYKEDSA-N 1 0 235.196 2.062 10 0 BEAERO CCCCCCNc1cc(N)[nH+]c(C)n1 ZINC000087831032 345940109 /nfs/dbraw/zinc/94/01/09/345940109.db2.gz LDVPJEQEEWOLSW-UHFFFAOYSA-N 1 0 208.309 2.359 10 0 BEAERO CCCCN(C)c1cc(NC)[nH+]c(C)n1 ZINC000087801020 345941215 /nfs/dbraw/zinc/94/12/15/345941215.db2.gz HKBMCQXQXIBSEV-UHFFFAOYSA-N 1 0 208.309 2.063 10 0 BEAERO Cc1cc(C)c([C@@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000719502502 537931669 /nfs/dbraw/zinc/93/16/69/537931669.db2.gz ZGTGDKVRZVEMGP-LLVKDONJSA-N 1 0 233.340 2.323 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C1(C)C ZINC000250473221 537939152 /nfs/dbraw/zinc/93/91/52/537939152.db2.gz DFSRWLCJXYDVOD-QNWHQSFQSA-N 1 0 241.375 2.083 10 0 BEAERO Cc1ccc2cccc(O[C@@H](C)C[NH3+])c2n1 ZINC000043514413 178971257 /nfs/dbraw/zinc/97/12/57/178971257.db2.gz FRZBKMWXRSUGRC-JTQLQIEISA-N 1 0 216.284 2.269 10 0 BEAERO [NH3+]C[C@H](O)c1cc(Cl)sc1Cl ZINC000236251493 346216193 /nfs/dbraw/zinc/21/61/93/346216193.db2.gz CPOLDZJVMKFDNN-BYPYZUCNSA-N 1 0 212.101 2.047 10 0 BEAERO NC(=[NH2+])c1cc(Br)ccc1Cl ZINC000236253426 346216470 /nfs/dbraw/zinc/21/64/70/346216470.db2.gz XXNKTFPORUOGBL-UHFFFAOYSA-N 1 0 233.496 2.387 10 0 BEAERO COc1c(Cl)cc(C[NH3+])cc1Cl ZINC000034215291 346226746 /nfs/dbraw/zinc/22/67/46/346226746.db2.gz BKLGECNXFQJCDC-UHFFFAOYSA-N 1 0 206.072 2.461 10 0 BEAERO Cc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000170863439 179011110 /nfs/dbraw/zinc/01/11/10/179011110.db2.gz ICUPZLIGQHSJOW-CYBMUJFWSA-N 1 0 246.354 2.080 10 0 BEAERO C[C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC000158929682 346269480 /nfs/dbraw/zinc/26/94/80/346269480.db2.gz HMNIFRRAZZPSGQ-NSHDSACASA-N 1 0 221.300 2.105 10 0 BEAERO C[C@H]1CC([C@](O)(C[NH3+])C(F)(F)F)C[C@H](C)C1 ZINC000675052609 537964078 /nfs/dbraw/zinc/96/40/78/537964078.db2.gz GTXZWDVSRKYPOE-NQMVMOMDSA-N 1 0 239.281 2.311 10 0 BEAERO [NH3+]CC[C@@H](O)c1cc2cscc2s1 ZINC000669377280 537964252 /nfs/dbraw/zinc/96/42/52/537964252.db2.gz LNABFZDFPKSPJM-SSDOTTSWSA-N 1 0 213.327 2.345 10 0 BEAERO Cc1cccc(C)c1N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000013814047 179038512 /nfs/dbraw/zinc/03/85/12/179038512.db2.gz BWPSXOJXEOQCHP-LBPRGKRZSA-N 1 0 232.327 2.018 10 0 BEAERO Cc1cccc(C)c1NC(=O)[C@@H](C)CC[NH3+] ZINC000076610120 179042608 /nfs/dbraw/zinc/04/26/08/179042608.db2.gz ITBTWTWTQPJXSE-NSHDSACASA-N 1 0 220.316 2.227 10 0 BEAERO Cc1cccc(C)c1NC1CC[NH2+]CC1 ZINC000106883902 179044039 /nfs/dbraw/zinc/04/40/39/179044039.db2.gz GCVDVSQZZZAYHM-UHFFFAOYSA-N 1 0 204.317 2.467 10 0 BEAERO Cc1cccc(C)c1OC[C@H]1CC[NH2+]C1 ZINC000051890597 179047667 /nfs/dbraw/zinc/04/76/67/179047667.db2.gz OJSYRVHUIYQHFJ-LBPRGKRZSA-N 1 0 205.301 2.292 10 0 BEAERO Cc1cccc(C)c1O[C@H](C)C1=[NH+]CCN1 ZINC000027710500 179047711 /nfs/dbraw/zinc/04/77/11/179047711.db2.gz JWAAXMLRAVOKBQ-LLVKDONJSA-N 1 0 218.300 2.072 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2C[C@H]2CO)ccc1Cl ZINC000309092211 349956329 /nfs/dbraw/zinc/95/63/29/349956329.db2.gz CMVVQIHVESQFJD-CMPLNLGQSA-N 1 0 225.719 2.119 10 0 BEAERO Cc1cccc(C[N@H+](C)CCC(N)=S)c1 ZINC000019834866 179064657 /nfs/dbraw/zinc/06/46/57/179064657.db2.gz UTVZJYXVXPGAPL-UHFFFAOYSA-N 1 0 222.357 2.103 10 0 BEAERO C[C@@H]1C[NH2+]CC[C@]1(O)c1ccc(Cl)s1 ZINC000229562302 346400403 /nfs/dbraw/zinc/40/04/03/346400403.db2.gz YIVDSVAUZOECRN-GMSGAONNSA-N 1 0 231.748 2.219 10 0 BEAERO CC[C@](F)(C[NH3+])c1c(F)cccc1F ZINC000158345285 346394490 /nfs/dbraw/zinc/39/44/90/346394490.db2.gz DDVWZDJFWGMJOH-JTQLQIEISA-N 1 0 203.207 2.498 10 0 BEAERO Cc1cc([C@H]2CC[NH2+][C@@H](C)C2)cc(F)n1 ZINC000669379343 537977122 /nfs/dbraw/zinc/97/71/22/537977122.db2.gz YPLGOWXEYPCCCA-WPRPVWTQSA-N 1 0 208.280 2.385 10 0 BEAERO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000037859921 179097780 /nfs/dbraw/zinc/09/77/80/179097780.db2.gz MSBVASQFWQWFMT-KGLIPLIRSA-N 1 0 219.328 2.388 10 0 BEAERO O=C(c1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]1 ZINC000167665815 346456579 /nfs/dbraw/zinc/45/65/79/346456579.db2.gz XFPQNKKWUHGCOZ-JTQLQIEISA-N 1 0 227.666 2.414 10 0 BEAERO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000084224741 179092292 /nfs/dbraw/zinc/09/22/92/179092292.db2.gz ZOASNKWQJIDUMK-KBPBESRZSA-N 1 0 219.328 2.246 10 0 BEAERO O[C@@]1(c2sccc2Cl)CCC[NH2+]CC1 ZINC000229925735 346481046 /nfs/dbraw/zinc/48/10/46/346481046.db2.gz ISIXAERDEKNBDL-JTQLQIEISA-N 1 0 231.748 2.363 10 0 BEAERO CCN(C)Cc1csc(C[NH2+]CC2CC2)n1 ZINC000669379873 537982094 /nfs/dbraw/zinc/98/20/94/537982094.db2.gz LCFYHDKLJZTVCL-UHFFFAOYSA-N 1 0 239.388 2.094 10 0 BEAERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000037164507 179101387 /nfs/dbraw/zinc/10/13/87/179101387.db2.gz WBCXLTOKDPYIMH-UONOGXRCSA-N 1 0 219.328 2.388 10 0 BEAERO Cc1ccc([C@@H]2CC[NH2+]C[C@@H]2N)cc1Cl ZINC000669379866 537981728 /nfs/dbraw/zinc/98/17/28/537981728.db2.gz HSCILINCTOPUEV-JQWIXIFHSA-N 1 0 224.735 2.053 10 0 BEAERO [NH3+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000148199858 346501109 /nfs/dbraw/zinc/50/11/09/346501109.db2.gz ZEHJLTYHQJWPNN-UHFFFAOYSA-N 1 0 212.655 2.462 10 0 BEAERO CCCN1CC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000250040126 362768594 /nfs/dbraw/zinc/76/85/94/362768594.db2.gz UJVFXUJJPZMMKH-GHMZBOCLSA-N 1 0 210.346 2.232 10 0 BEAERO Cc1ccc([C@H]2CC[NH2+]C[C@@H]2N)cc1Cl ZINC000669379867 537982818 /nfs/dbraw/zinc/98/28/18/537982818.db2.gz HSCILINCTOPUEV-PWSUYJOCSA-N 1 0 224.735 2.053 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1cc(Cl)ccc1F ZINC000163825657 346578579 /nfs/dbraw/zinc/57/85/79/346578579.db2.gz VHISIFVSYDZDKS-UWVGGRQHSA-N 1 0 215.655 2.268 10 0 BEAERO Cc1ccoc1[C@@H]([NH3+])Cc1nccs1 ZINC000163893450 346581528 /nfs/dbraw/zinc/58/15/28/346581528.db2.gz BBSHSLGARUEPDQ-QMMMGPOBSA-N 1 0 208.286 2.287 10 0 BEAERO Cc1ccoc1[C@H]([NH3+])Cc1nccs1 ZINC000163893326 346581657 /nfs/dbraw/zinc/58/16/57/346581657.db2.gz BBSHSLGARUEPDQ-MRVPVSSYSA-N 1 0 208.286 2.287 10 0 BEAERO C[C@H]([NH3+])C[C@@H](O)c1ccc(F)cc1Cl ZINC000164150778 346593206 /nfs/dbraw/zinc/59/32/06/346593206.db2.gz YNLJSDDVEOSQGI-QUBYGPBYSA-N 1 0 217.671 2.250 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](O)c1ccc(F)cc1Cl ZINC000164150904 346593371 /nfs/dbraw/zinc/59/33/71/346593371.db2.gz YNLJSDDVEOSQGI-LHLIQPBNSA-N 1 0 217.671 2.250 10 0 BEAERO COC[C@@H]([NH3+])[C@@H]1CCCc2sccc21 ZINC000164296209 346599092 /nfs/dbraw/zinc/59/90/92/346599092.db2.gz VCCAVKRUWYFPMA-PSASIEDQSA-N 1 0 211.330 2.142 10 0 BEAERO CC[C@H]1CSC2(CCC(OC)CC2)[NH2+]1 ZINC000164328069 346601348 /nfs/dbraw/zinc/60/13/48/346601348.db2.gz GYPNEUXMKAPFJP-WHXUTIOJSA-N 1 0 215.362 2.387 10 0 BEAERO CCNc1ccc(Br)cc1C[NH3+] ZINC000165225497 346645606 /nfs/dbraw/zinc/64/56/06/346645606.db2.gz SBGUQAJDGIFXLA-UHFFFAOYSA-N 1 0 229.121 2.340 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncnc2sccc21 ZINC000165730081 346657118 /nfs/dbraw/zinc/65/71/18/346657118.db2.gz JZWYWPKGPNKIKS-HTQZYQBOSA-N 1 0 236.344 2.229 10 0 BEAERO CCO[C@H](c1ccccc1)C1=[NH+]CCCN1 ZINC000005861371 346632531 /nfs/dbraw/zinc/63/25/31/346632531.db2.gz FWVXQIIZIYQFSF-GFCCVEGCSA-N 1 0 218.300 2.156 10 0 BEAERO C[C@@H]([NH3+])c1noc(-c2ccc(Cl)o2)n1 ZINC000225440912 370647648 /nfs/dbraw/zinc/64/76/48/370647648.db2.gz PNHYFTZJQYHNSE-SCSAIBSYSA-N 1 0 213.624 2.003 10 0 BEAERO Cc1cccc(N[C@H](C)C[NH+]2CCCC2)n1 ZINC000049184147 179156732 /nfs/dbraw/zinc/15/67/32/179156732.db2.gz PKNUMGQHRYBKPD-GFCCVEGCSA-N 1 0 219.332 2.286 10 0 BEAERO Cc1cccc(OCCSCC[NH3+])c1C ZINC000020399371 179169504 /nfs/dbraw/zinc/16/95/04/179169504.db2.gz RDQFRYFQFUELPP-UHFFFAOYSA-N 1 0 225.357 2.374 10 0 BEAERO Cc1cccc(OCCN2CCC[NH2+][C@@H](C)C2)c1 ZINC000062623414 179166291 /nfs/dbraw/zinc/16/62/91/179166291.db2.gz PWCRVDHFSLXNSM-AWEZNQCLSA-N 1 0 248.370 2.058 10 0 BEAERO CCC[C@@H](C)c1nc([C@@H]2CC[NH2+]C2)no1 ZINC000669380237 537986823 /nfs/dbraw/zinc/98/68/23/537986823.db2.gz KAVXKVSXGGYOKB-RKDXNWHRSA-N 1 0 209.293 2.050 10 0 BEAERO Cc1cccc(SCCOCC[NH3+])c1 ZINC000057496583 179177208 /nfs/dbraw/zinc/17/72/08/179177208.db2.gz KEYUWGXUEOHSBZ-UHFFFAOYSA-N 1 0 211.330 2.062 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])OCC2CCOCC2)c1 ZINC000052149142 179184940 /nfs/dbraw/zinc/18/49/40/179184940.db2.gz XTMBULKIADRLJS-OAHLLOKOSA-N 1 0 249.354 2.438 10 0 BEAERO Cc1cccc([C@@H](C[NH3+])N2CCCOCC2)c1C ZINC000061916510 179185387 /nfs/dbraw/zinc/18/53/87/179185387.db2.gz LMKHIEKTPZNMGQ-OAHLLOKOSA-N 1 0 248.370 2.026 10 0 BEAERO Cc1cccc([C@@H](O)C2CC[NH2+]CC2)c1C ZINC000041233248 179187063 /nfs/dbraw/zinc/18/70/63/179187063.db2.gz GOPWQCCKVYHQIF-AWEZNQCLSA-N 1 0 219.328 2.336 10 0 BEAERO Cc1ccc(N2CC[NH2+]CC2)c(-n2cccc2)c1 ZINC000039042480 347174909 /nfs/dbraw/zinc/17/49/09/347174909.db2.gz LLQJXSMQLXWXEJ-UHFFFAOYSA-N 1 0 241.338 2.195 10 0 BEAERO Cc1cccc([C@@H](O)C[NH2+]C(C)C)c1C ZINC000055028949 179187697 /nfs/dbraw/zinc/18/76/97/179187697.db2.gz IHFZCVKLFVDZMD-ZDUSSCGKSA-N 1 0 207.317 2.335 10 0 BEAERO Cc1cnn([C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])c1 ZINC000042967809 179187721 /nfs/dbraw/zinc/18/77/21/179187721.db2.gz SRFPDOLTCGESBQ-TZMCWYRMSA-N 1 0 229.327 2.437 10 0 BEAERO Cc1cnn([C@@H](c2cccc(C)c2)[C@H](C)[NH3+])c1 ZINC000042967811 179188248 /nfs/dbraw/zinc/18/82/48/179188248.db2.gz SRFPDOLTCGESBQ-GXTWGEPZSA-N 1 0 229.327 2.437 10 0 BEAERO Cc1cccc([C@@H]([C@H](C)[NH3+])n2ccnc2)c1 ZINC000042967745 179188372 /nfs/dbraw/zinc/18/83/72/179188372.db2.gz NBIAEIWHRBCQGN-WCQYABFASA-N 1 0 215.300 2.128 10 0 BEAERO Cc1nccn1[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042967753 179188631 /nfs/dbraw/zinc/18/86/31/179188631.db2.gz MFJMNCYZUBVVNS-BXUZGUMPSA-N 1 0 229.327 2.437 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=O)c1cc(F)cc(F)c1 ZINC000167820060 347227509 /nfs/dbraw/zinc/22/75/09/347227509.db2.gz PJQPDSANXJFMEW-SNVBAGLBSA-N 1 0 213.227 2.131 10 0 BEAERO Cc1cccc([C@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000122928540 179196420 /nfs/dbraw/zinc/19/64/20/179196420.db2.gz FZCYAJFTCIVEKR-RYUDHWBXSA-N 1 0 207.317 2.274 10 0 BEAERO CSCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308306342 347249037 /nfs/dbraw/zinc/24/90/37/347249037.db2.gz OELUDCZWGOWJNB-ZJUUUORDSA-N 1 0 205.342 2.467 10 0 BEAERO CO[C@@H]1CCC[C@@H](OCC[C@H]2CCC[NH2+]C2)C1 ZINC000250456719 362805052 /nfs/dbraw/zinc/80/50/52/362805052.db2.gz ITDVKJOYKBWBGW-MGPQQGTHSA-N 1 0 241.375 2.350 10 0 BEAERO Cc1cccc([C@H](C[NH3+])CC(=O)NCC(C)C)c1 ZINC000057537270 179198650 /nfs/dbraw/zinc/19/86/50/179198650.db2.gz SDJLRFBCNJKLKW-AWEZNQCLSA-N 1 0 248.370 2.200 10 0 BEAERO CC1(C)[C@@H]([NH2+]CCCCF)[C@@H]2CCO[C@@H]21 ZINC000382299396 347264608 /nfs/dbraw/zinc/26/46/08/347264608.db2.gz NCDFIQLCKNMIQX-DCAQKATOSA-N 1 0 215.312 2.139 10 0 BEAERO CN1CC[C@@H]([NH3+])[C@H]1c1ccccc1Cl ZINC000250567351 362810848 /nfs/dbraw/zinc/81/08/48/362810848.db2.gz DMDITPVFHVVNOB-GHMZBOCLSA-N 1 0 210.708 2.044 10 0 BEAERO Cc1nccn1[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042967754 179203050 /nfs/dbraw/zinc/20/30/50/179203050.db2.gz MFJMNCYZUBVVNS-RISCZKNCSA-N 1 0 229.327 2.437 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000300589347 347280280 /nfs/dbraw/zinc/28/02/80/347280280.db2.gz TVUYNYCBAGXHPY-IPYPFGDCSA-N 1 0 249.354 2.205 10 0 BEAERO Cc1nccn1[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042967756 179203344 /nfs/dbraw/zinc/20/33/44/179203344.db2.gz MFJMNCYZUBVVNS-FZMZJTMJSA-N 1 0 229.327 2.437 10 0 BEAERO Cc1cccc([C@H](Sc2nc[nH]n2)[C@@H](C)[NH3+])c1 ZINC000042969596 179203676 /nfs/dbraw/zinc/20/36/76/179203676.db2.gz VNVSOOFPYUQQCM-MWLCHTKSSA-N 1 0 248.355 2.294 10 0 BEAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000020364053 259394999 /nfs/dbraw/zinc/39/49/99/259394999.db2.gz OGHIACMPDPRSPV-SDDRHHMPSA-N 1 0 228.380 2.314 10 0 BEAERO Cc1cccc2c(N3CC[C@H](CO)C3)cc[nH+]c12 ZINC000301675504 179211058 /nfs/dbraw/zinc/21/10/58/179211058.db2.gz PRVDIBSBQHELSX-LBPRGKRZSA-N 1 0 242.322 2.362 10 0 BEAERO Cc1cc(Br)cnc1C1([NH3+])CC1 ZINC000216446975 347303732 /nfs/dbraw/zinc/30/37/32/347303732.db2.gz KFJXZMUJMIKWMZ-UHFFFAOYSA-N 1 0 227.105 2.100 10 0 BEAERO Cc1cccc2c1CCC1(CC[NH2+]CC1)O2 ZINC000066054848 179212782 /nfs/dbraw/zinc/21/27/82/179212782.db2.gz PBJPUDZEYMUXHV-UHFFFAOYSA-N 1 0 217.312 2.442 10 0 BEAERO CC(C)c1c(Cl)nc[nH+]c1NN(C)C ZINC000149623746 347382045 /nfs/dbraw/zinc/38/20/45/347382045.db2.gz RZZJBJSWNOVUGM-UHFFFAOYSA-N 1 0 214.700 2.142 10 0 BEAERO Cc1cccc2oc([C@H](C)N3CC[NH2+]CC3)nc21 ZINC000051658367 179233406 /nfs/dbraw/zinc/23/34/06/179233406.db2.gz DSVUPRODTANGJF-NSHDSACASA-N 1 0 245.326 2.102 10 0 BEAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCCCC1 ZINC000616568334 347447049 /nfs/dbraw/zinc/44/70/49/347447049.db2.gz ATMWQHRGNJXOCW-WCQYABFASA-N 1 0 238.375 2.071 10 0 BEAERO Cc1ccccc1C(=O)NC[C@H]1[NH2+]CCC[C@@H]1C ZINC000071338506 179250554 /nfs/dbraw/zinc/25/05/54/179250554.db2.gz XSHAFEJUWMSNQS-GXTWGEPZSA-N 1 0 246.354 2.113 10 0 BEAERO Cc1ccccc1C(=O)[C@H]1CCC[NH2+]C1 ZINC000041211895 179253417 /nfs/dbraw/zinc/25/34/17/179253417.db2.gz GEKSVURBBDXXCF-NSHDSACASA-N 1 0 203.285 2.177 10 0 BEAERO CC[NH2+]Cc1cc(N)ccc1Br ZINC000149904735 347553228 /nfs/dbraw/zinc/55/32/28/347553228.db2.gz VVJDEUUDOACKKO-UHFFFAOYSA-N 1 0 229.121 2.141 10 0 BEAERO C[NH2+]Cc1csc([C@H]2CC[C@@H](C)O2)n1 ZINC000149939150 347570668 /nfs/dbraw/zinc/57/06/68/347570668.db2.gz WRJISYHYEIFNPA-VXNVDRBHSA-N 1 0 212.318 2.103 10 0 BEAERO Cc1ccccc1CC[C@H]1COC[C@H](C)[NH2+]1 ZINC000071521365 179267234 /nfs/dbraw/zinc/26/72/34/179267234.db2.gz IXPXNBFHSMTLQG-JSGCOSHPSA-N 1 0 219.328 2.305 10 0 BEAERO Cc1ccccc1CCc1nc([C@H](C)[NH3+])no1 ZINC000051986413 179267647 /nfs/dbraw/zinc/26/76/47/179267647.db2.gz DWSOSQXXLXFNBN-JTQLQIEISA-N 1 0 231.299 2.183 10 0 BEAERO Cc1ccccc1CN(C)[C@H]1CCC[NH2+]C1 ZINC000043501442 179269891 /nfs/dbraw/zinc/26/98/91/179269891.db2.gz MMYQYLDEEQGSMC-AWEZNQCLSA-N 1 0 218.344 2.179 10 0 BEAERO CCC1(CC)C[C@@H]([NH3+])c2cccnc2O1 ZINC000616569441 347699126 /nfs/dbraw/zinc/69/91/26/347699126.db2.gz UKJYHGPLAIYRPB-SNVBAGLBSA-N 1 0 206.289 2.423 10 0 BEAERO Cc1ccccc1CNC(=O)C[C@H]1CCCC[NH2+]1 ZINC000048265964 179278699 /nfs/dbraw/zinc/27/86/99/179278699.db2.gz ISDTZAIQEPSFEC-CQSZACIVSA-N 1 0 246.354 2.143 10 0 BEAERO Cc1nc[nH]c1C[NH2+]Cc1ccccc1C ZINC000054796530 179283300 /nfs/dbraw/zinc/28/33/00/179283300.db2.gz HJWGQWUONCBFEM-UHFFFAOYSA-N 1 0 215.300 2.316 10 0 BEAERO Cc1ccccc1CNc1[nH+]ccn1C ZINC000050605969 179285836 /nfs/dbraw/zinc/28/58/36/179285836.db2.gz JJZNAGIPAPJMKQ-UHFFFAOYSA-N 1 0 201.273 2.341 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCOC1 ZINC000343560772 133695801 /nfs/dbraw/zinc/69/58/01/133695801.db2.gz ZLVSFHUAYPEZFU-XVIXHAIJSA-N 1 0 241.375 2.205 10 0 BEAERO Fc1c(Br)ccc2c1C[NH2+]CC2 ZINC000216460899 347801676 /nfs/dbraw/zinc/80/16/76/347801676.db2.gz MVNGHXOUJOLZIK-UHFFFAOYSA-N 1 0 230.080 2.234 10 0 BEAERO Cc1ccccc1N(C)C(=[NH2+])NC1CC1 ZINC000052040199 179294741 /nfs/dbraw/zinc/29/47/41/179294741.db2.gz PNGUCGROTHQYAG-UHFFFAOYSA-N 1 0 203.289 2.118 10 0 BEAERO Cc1ccccc1N(C)C[C@]1(C[NH3+])CCCOC1 ZINC000104323149 179294915 /nfs/dbraw/zinc/29/49/15/179294915.db2.gz WHNBXUGHXRENEJ-OAHLLOKOSA-N 1 0 248.370 2.187 10 0 BEAERO Cc1nn(C)c(N(C)c2ccccc2C)c1C[NH3+] ZINC000049988155 179295013 /nfs/dbraw/zinc/29/50/13/179295013.db2.gz JAXYRPOTOMNKFA-UHFFFAOYSA-N 1 0 244.342 2.264 10 0 BEAERO Cc1ccccc1NC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000019439672 179303966 /nfs/dbraw/zinc/30/39/66/179303966.db2.gz SUHYMVVYTIPOSB-WCQYABFASA-N 1 0 232.327 2.464 10 0 BEAERO Cc1ccccc1Oc1cc(C(N)=[NH2+])ccn1 ZINC000019476185 179314402 /nfs/dbraw/zinc/31/44/02/179314402.db2.gz RNYSMSQDRYJXGJ-UHFFFAOYSA-N 1 0 227.267 2.466 10 0 BEAERO Cc1ccccc1OCC[C@@](C)(C[NH3+])N(C)C ZINC000019667652 179312132 /nfs/dbraw/zinc/31/21/32/179312132.db2.gz NSKBECMSDMWXOH-AWEZNQCLSA-N 1 0 236.359 2.043 10 0 BEAERO Cc1ccccc1O[C@@H](C[NH3+])C(F)(F)F ZINC000037169975 179313033 /nfs/dbraw/zinc/31/30/33/179313033.db2.gz ODBVAQSCYHAGJD-VIFPVBQESA-N 1 0 219.206 2.263 10 0 BEAERO Cc1ccccc1[C@@H](N)C[NH+]1CCCC1 ZINC000023071833 179324120 /nfs/dbraw/zinc/32/41/20/179324120.db2.gz XPEQDUBKWGJLRZ-ZDUSSCGKSA-N 1 0 204.317 2.091 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])CN1CCCCC1=O ZINC000020296235 179324383 /nfs/dbraw/zinc/32/43/83/179324383.db2.gz DUCSXYSNBFUOAS-ZDUSSCGKSA-N 1 0 232.327 2.007 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])COC[C@@H]1CCCO1 ZINC000019394059 179324738 /nfs/dbraw/zinc/32/47/38/179324738.db2.gz VOBDFOVCKJPFBK-JSGCOSHPSA-N 1 0 235.327 2.190 10 0 BEAERO Cc1ccccc1[C@@H]([NH3+])CCN1CCO[C@H](C)C1 ZINC000054015962 179325030 /nfs/dbraw/zinc/32/50/30/179325030.db2.gz XNOANVPANAZRBG-HIFRSBDPSA-N 1 0 248.370 2.106 10 0 BEAERO Cc1ccccc1[C@@H](N)C[N@@H+](C)C(C)C ZINC000023071438 179325052 /nfs/dbraw/zinc/32/50/52/179325052.db2.gz ZTZOASGSOPTLNY-ZDUSSCGKSA-N 1 0 206.333 2.335 10 0 BEAERO C[C@@H]1CCCN(C[C@@H]2C[C@H](C)C[C@H](C)[NH2+]2)C1 ZINC000669381571 537995068 /nfs/dbraw/zinc/99/50/68/537995068.db2.gz OKSRYYLMNCNEAG-MQYQWHSLSA-N 1 0 224.392 2.495 10 0 BEAERO CC1CCN(C[C@@H]2C[C@@H](C)C[C@@H](C)[NH2+]2)CC1 ZINC000669381536 537995109 /nfs/dbraw/zinc/99/51/09/537995109.db2.gz NKOBGUZTAKNETR-MJBXVCDLSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1ccc([C@@H](O)[C@@H]2CCC[NH2+]C2)s1 ZINC000036906298 347970447 /nfs/dbraw/zinc/97/04/47/347970447.db2.gz OHODNLGMFPXFDU-KOLCDFICSA-N 1 0 211.330 2.090 10 0 BEAERO Cc1ccc([C@H](O)C2CC[NH2+]CC2)s1 ZINC000036906301 347970757 /nfs/dbraw/zinc/97/07/57/347970757.db2.gz XYTDQSMJYREQEO-LLVKDONJSA-N 1 0 211.330 2.090 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CO ZINC000083216607 179336819 /nfs/dbraw/zinc/33/68/19/179336819.db2.gz XXAPLPGPWRIQMU-JQWIXIFHSA-N 1 0 207.317 2.274 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282203149 179339099 /nfs/dbraw/zinc/33/90/99/179339099.db2.gz CURHJWCBTSQNQD-OBJOEFQTSA-N 1 0 246.354 2.313 10 0 BEAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCOC[C@@H]1C ZINC000043034878 179347742 /nfs/dbraw/zinc/34/77/42/179347742.db2.gz XRXJKDZDBYVLKF-GUTXKFCHSA-N 1 0 248.370 2.104 10 0 BEAERO Cc1ccccc1[C@H]1CN(C2CC2)CC[NH2+]1 ZINC000056894862 179348951 /nfs/dbraw/zinc/34/89/51/179348951.db2.gz MMXKCDKDRSLJLT-CQSZACIVSA-N 1 0 216.328 2.104 10 0 BEAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](C)C(C)(C)C ZINC000616570717 348071318 /nfs/dbraw/zinc/07/13/18/348071318.db2.gz OCRWEWGEGLOWNZ-UTUOFQBUSA-N 1 0 240.391 2.173 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])COCC1CCOCC1 ZINC000052153349 179344131 /nfs/dbraw/zinc/34/41/31/179344131.db2.gz KSGNWJAQTVYOEJ-OAHLLOKOSA-N 1 0 249.354 2.438 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])C1CCOCC1 ZINC000068957025 179344145 /nfs/dbraw/zinc/34/41/45/179344145.db2.gz NIBSHXMVCKHGRU-CYBMUJFWSA-N 1 0 205.301 2.421 10 0 BEAERO Cc1ccccc1[C@H]([NH3+])CN1CCCCC1=O ZINC000020296236 179344222 /nfs/dbraw/zinc/34/42/22/179344222.db2.gz DUCSXYSNBFUOAS-CYBMUJFWSA-N 1 0 232.327 2.007 10 0 BEAERO Cc1ccccc1[C@H](O)[C@@H]1CCCC[NH2+]1 ZINC000041213731 179345909 /nfs/dbraw/zinc/34/59/09/179345909.db2.gz MWLFTQBITNMDIO-STQMWFEESA-N 1 0 205.301 2.171 10 0 BEAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C1CC1 ZINC000043034385 179346527 /nfs/dbraw/zinc/34/65/27/179346527.db2.gz LNZZAWSMPRXVOB-RISCZKNCSA-N 1 0 218.344 2.478 10 0 BEAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C1CC1 ZINC000043034392 179347040 /nfs/dbraw/zinc/34/70/40/179347040.db2.gz LNZZAWSMPRXVOB-FZMZJTMJSA-N 1 0 218.344 2.478 10 0 BEAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])n1ccnc1 ZINC000043037707 179347226 /nfs/dbraw/zinc/34/72/26/179347226.db2.gz WLXXXZSCKYTLDN-YPMHNXCESA-N 1 0 215.300 2.128 10 0 BEAERO Cc1ccc2sc(C[C@H](C)[NH3+])nc2c1 ZINC000037195319 348112739 /nfs/dbraw/zinc/11/27/39/348112739.db2.gz NZYJGGVXZHPDIB-QMMMGPOBSA-N 1 0 206.314 2.494 10 0 BEAERO Cc1ccccc1[C@H]1Cc2n[nH]cc2[C@@H]([NH3+])C1 ZINC000072415303 179350630 /nfs/dbraw/zinc/35/06/30/179350630.db2.gz SKVIPFUZMQUKSW-MFKMUULPSA-N 1 0 227.311 2.448 10 0 BEAERO Cc1ccccc1[C@](C)(CO)[NH2+]C(C)C ZINC000038115593 179350677 /nfs/dbraw/zinc/35/06/77/179350677.db2.gz MDORKEKDESYQKF-ZDUSSCGKSA-N 1 0 207.317 2.201 10 0 BEAERO C/C=C(/C)C(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616571037 348094145 /nfs/dbraw/zinc/09/41/45/348094145.db2.gz JDCYPBOEHGVTCZ-WZUFQYTHSA-N 1 0 238.375 2.095 10 0 BEAERO Cc1cccn2c([C@@H]([NH3+])C(C)C)cnc12 ZINC000031911692 179355314 /nfs/dbraw/zinc/35/53/14/179355314.db2.gz PMNOQLMMKRZMKN-NSHDSACASA-N 1 0 203.289 2.299 10 0 BEAERO Cc1cccnc1-c1noc(C[NH2+]C(C)(C)C)n1 ZINC000104307773 179359614 /nfs/dbraw/zinc/35/96/14/179359614.db2.gz RNQMNPXRDDATRI-UHFFFAOYSA-N 1 0 246.314 2.328 10 0 BEAERO Cc1cccnc1C(=O)Nc1ccccc1C[NH3+] ZINC000104304929 179366201 /nfs/dbraw/zinc/36/62/01/179366201.db2.gz SNUYPVIIPYRZNJ-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO Cc1cccnc1C1(C[NH2+]C(C)C)CC1 ZINC000368691355 179367094 /nfs/dbraw/zinc/36/70/94/179367094.db2.gz CWEHTLGXCXAOOB-UHFFFAOYSA-N 1 0 204.317 2.420 10 0 BEAERO CC(C)=CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123305889 187388788 /nfs/dbraw/zinc/38/87/88/187388788.db2.gz DJBZASGWBJEDBN-QWHCGFSZSA-N 1 0 210.365 2.367 10 0 BEAERO CC[C@@H](C(N)=S)[N@@H+]1CCCCC[C@H]1C ZINC000251311696 362862288 /nfs/dbraw/zinc/86/22/88/362862288.db2.gz SYKTTWHMVXGPFQ-ZJUUUORDSA-N 1 0 214.378 2.316 10 0 BEAERO Cc1cccnc1N[C@H](C)C[NH+]1CCCC1 ZINC000051041090 179395489 /nfs/dbraw/zinc/39/54/89/179395489.db2.gz BPKBBEIUWZJQQE-GFCCVEGCSA-N 1 0 219.332 2.286 10 0 BEAERO Cc1cccnc1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000051041290 179395638 /nfs/dbraw/zinc/39/56/38/179395638.db2.gz SANSQQDBIASHKE-VXGBXAGGSA-N 1 0 219.332 2.190 10 0 BEAERO Cc1cccnc1[C@H]([NH3+])CC1CCOCC1 ZINC000060700661 179397780 /nfs/dbraw/zinc/39/77/80/179397780.db2.gz HGEFLZSHLDJFHQ-GFCCVEGCSA-N 1 0 220.316 2.207 10 0 BEAERO Cc1ccn(-c2ccccc2C[NH2+]C2CC2)n1 ZINC000052884741 179399677 /nfs/dbraw/zinc/39/96/77/179399677.db2.gz HDBCYMAPPVRETJ-UHFFFAOYSA-N 1 0 227.311 2.433 10 0 BEAERO CC1(C)CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000070260441 349984100 /nfs/dbraw/zinc/98/41/00/349984100.db2.gz VWKSTCDEKMSHKM-LBPRGKRZSA-N 1 0 238.375 2.025 10 0 BEAERO C[N+]1=Cc2c3cc(Cl)ccc3[nH]c2CC1 ZINC000045952155 187395526 /nfs/dbraw/zinc/39/55/26/187395526.db2.gz ZWOBEMHLTDGOHH-UHFFFAOYSA-O 1 0 219.695 2.439 10 0 BEAERO Cc1ccn(CC[NH2+][C@H]2CCCC[C@H]2C)c(=O)c1 ZINC000061909829 179410936 /nfs/dbraw/zinc/41/09/36/179410936.db2.gz AXNCVOVMPPIJRT-KGLIPLIRSA-N 1 0 248.370 2.325 10 0 BEAERO Cc1ccnc(N2CCC[C@@H]2C[NH2+]C(C)(C)C)n1 ZINC000061859962 179430415 /nfs/dbraw/zinc/43/04/15/179430415.db2.gz JDCRVSNXFSKUMX-GFCCVEGCSA-N 1 0 248.374 2.142 10 0 BEAERO C[C@H]1CC[C@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725245854 538004120 /nfs/dbraw/zinc/00/41/20/538004120.db2.gz YEBSRRONINMAET-CABZTGNLSA-N 1 0 213.321 2.093 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1ccc(Br)cc1F ZINC000037381839 348394539 /nfs/dbraw/zinc/39/45/39/348394539.db2.gz JECUOTQOACDIOO-VXNVDRBHSA-N 1 0 230.080 2.403 10 0 BEAERO CC(C)[C@@H]1CC[C@H](O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725246184 538004309 /nfs/dbraw/zinc/00/43/09/538004309.db2.gz RFLYRZHFFCKNJD-FVCCEPFGSA-N 1 0 211.349 2.029 10 0 BEAERO C([NH2+]C1CC1)[C@]1(C[C@@H]2CCCO2)CCCOC1 ZINC000062194995 187396494 /nfs/dbraw/zinc/39/64/94/187396494.db2.gz PHIQFNJAIBEMCY-UONOGXRCSA-N 1 0 239.359 2.104 10 0 BEAERO CCC1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000227427561 490168671 /nfs/dbraw/zinc/16/86/71/490168671.db2.gz OLTHGJRCNNDLHG-NEPJUHHUSA-N 1 0 238.375 2.058 10 0 BEAERO C[C@@H]1C[NH2+]C[C@]12C[C@H](C(C)(C)C)CC[C@@H]2O ZINC000725246539 538006777 /nfs/dbraw/zinc/00/67/77/538006777.db2.gz YABBGIMGZXHGMY-NRWUCQMLSA-N 1 0 225.376 2.419 10 0 BEAERO CC(C)C1(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000308775772 348543219 /nfs/dbraw/zinc/54/32/19/348543219.db2.gz DHBKUJOWXGKUKG-NSHDSACASA-N 1 0 213.365 2.419 10 0 BEAERO Cc1ccncc1NC(=O)CCC[NH2+]C(C)C ZINC000071414234 179491919 /nfs/dbraw/zinc/49/19/19/179491919.db2.gz KINSQDJXZQXLGP-UHFFFAOYSA-N 1 0 235.331 2.107 10 0 BEAERO C[C@@H]1C[NH2+]C[C@]12C[C@@H](C(C)(C)C)CC[C@H]2O ZINC000725246535 538006683 /nfs/dbraw/zinc/00/66/83/538006683.db2.gz YABBGIMGZXHGMY-GFQSEFKGSA-N 1 0 225.376 2.419 10 0 BEAERO Cc1ccsc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084228529 179548576 /nfs/dbraw/zinc/54/85/76/179548576.db2.gz RMYTXAIASPSKHN-GHMZBOCLSA-N 1 0 225.357 2.307 10 0 BEAERO CC(C)CN1C[C@]2(C[C@H]2[NH3+])c2ccccc21 ZINC000725246923 538009521 /nfs/dbraw/zinc/00/95/21/538009521.db2.gz BAQKMAWXSPRXCI-ZIAGYGMSSA-N 1 0 216.328 2.131 10 0 BEAERO [NH3+][C@H]1C[C@]12CNc1c2c(Cl)ccc1Cl ZINC000725247317 538010522 /nfs/dbraw/zinc/01/05/22/538010522.db2.gz MDVVREBKRCHWQO-XVKPBYJWSA-N 1 0 229.110 2.388 10 0 BEAERO CC(C)(C)C1CCN(c2nccnc2C[NH3+])CC1 ZINC000054378159 1172109178 /nfs/dbraw/zinc/10/91/78/1172109178.db2.gz BEDKGIXCZVLUAQ-UHFFFAOYSA-N 1 0 248.374 2.198 10 0 BEAERO [NH3+][C@@H]1C[C@@]12CNc1c2c(Cl)ccc1Cl ZINC000725247313 538011765 /nfs/dbraw/zinc/01/17/65/538011765.db2.gz MDVVREBKRCHWQO-GMSGAONNSA-N 1 0 229.110 2.388 10 0 BEAERO CCCCCN(C(=O)[C@@H](C)[NH2+]C)C(C)C ZINC000054075091 348877096 /nfs/dbraw/zinc/87/70/96/348877096.db2.gz IJIKMADBOUKSHX-LLVKDONJSA-N 1 0 214.353 2.022 10 0 BEAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c2ncccc12 ZINC000054074342 348889682 /nfs/dbraw/zinc/88/96/82/348889682.db2.gz ZQMUZGTTXILAOP-SNVBAGLBSA-N 1 0 243.310 2.090 10 0 BEAERO COc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054290238 348962089 /nfs/dbraw/zinc/96/20/89/348962089.db2.gz UFKVRHGVWQMZNA-LLVKDONJSA-N 1 0 248.326 2.023 10 0 BEAERO Cc1cccc(N(C)C(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054292571 348964205 /nfs/dbraw/zinc/96/42/05/348964205.db2.gz HSKAWNGJNALOTI-CYBMUJFWSA-N 1 0 246.354 2.348 10 0 BEAERO Cc1cnn([C@@H](c2ccccc2F)[C@H](C)[NH3+])c1 ZINC000043046274 179745291 /nfs/dbraw/zinc/74/52/91/179745291.db2.gz RHYDBVRPZBUEDC-GXFFZTMASA-N 1 0 233.290 2.267 10 0 BEAERO CCCC(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616573574 349069635 /nfs/dbraw/zinc/06/96/35/349069635.db2.gz ZUVHEUWJDSGKAC-GFCCVEGCSA-N 1 0 238.375 2.297 10 0 BEAERO C[C@H](NC(=O)C1CCC1)c1cccc(C[NH3+])c1 ZINC000616574392 349077887 /nfs/dbraw/zinc/07/78/87/349077887.db2.gz ZDEZJELXXGQKTC-JTQLQIEISA-N 1 0 232.327 2.123 10 0 BEAERO CC(C)[NH2+][C@H]1CCCN([C@@H](C)C(C)C)C1 ZINC000070584279 490223943 /nfs/dbraw/zinc/22/39/43/490223943.db2.gz MLRVAWZETQIDFZ-STQMWFEESA-N 1 0 212.381 2.493 10 0 BEAERO CC(C)[NH2+][C@H]1CCCN([C@H](C)C(C)C)C1 ZINC000070584278 490224020 /nfs/dbraw/zinc/22/40/20/490224020.db2.gz MLRVAWZETQIDFZ-OLZOCXBDSA-N 1 0 212.381 2.493 10 0 BEAERO CC(C)C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)C ZINC000616572127 349065308 /nfs/dbraw/zinc/06/53/08/349065308.db2.gz VGAKHKNYVHDWKE-NWDGAFQWSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@H]([NH3+])c1cccc(CNC(=O)C2CCC2)c1 ZINC000616572444 349065953 /nfs/dbraw/zinc/06/59/53/349065953.db2.gz MVDAICCSNIFRAQ-JTQLQIEISA-N 1 0 232.327 2.123 10 0 BEAERO CC(C)=CC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616572241 349065995 /nfs/dbraw/zinc/06/59/95/349065995.db2.gz QJMXRVCFAAZKPW-UHFFFAOYSA-N 1 0 238.375 2.176 10 0 BEAERO CO[C@]1(COc2ccc(C)cc2)CCC[NH2+]C1 ZINC000616578989 349127666 /nfs/dbraw/zinc/12/76/66/349127666.db2.gz NWWAASKNQBOMEC-CQSZACIVSA-N 1 0 235.327 2.142 10 0 BEAERO Cc1csc(SC[C@@H]2CC[NH2+]C2)n1 ZINC000051890896 179792092 /nfs/dbraw/zinc/79/20/92/179792092.db2.gz DWKBZZYARJYBAA-MRVPVSSYSA-N 1 0 214.359 2.153 10 0 BEAERO O[C@@H]1CCC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000599516513 349205214 /nfs/dbraw/zinc/20/52/14/349205214.db2.gz HSABMUJLFBWOIL-NWDGAFQWSA-N 1 0 242.322 2.372 10 0 BEAERO CCC[NH2+][C@@H]1Cc2c(O)cccc2C[C@H]1C ZINC000199559505 349255203 /nfs/dbraw/zinc/25/52/03/349255203.db2.gz SRMYDECUJQRUEQ-ZWNOBZJWSA-N 1 0 219.328 2.495 10 0 BEAERO FC1(C[NH2+]C[C@@H]2CCCO2)CCCC1 ZINC000616580935 349262632 /nfs/dbraw/zinc/26/26/32/349262632.db2.gz ACBYRBSCGQZDOU-JTQLQIEISA-N 1 0 201.285 2.037 10 0 BEAERO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(CC)C1 ZINC000388620855 349275132 /nfs/dbraw/zinc/27/51/32/349275132.db2.gz HCWNRHXJBMQZQL-FRRDWIJNSA-N 1 0 210.365 2.249 10 0 BEAERO CCCCc1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253361 538037164 /nfs/dbraw/zinc/03/71/64/538037164.db2.gz JRRIXCGXFJTJHW-VIFPVBQESA-N 1 0 207.321 2.099 10 0 BEAERO CC(C)(C)N1C[C@H](CC[NH3+])Nc2ccccc21 ZINC000616583435 349313587 /nfs/dbraw/zinc/31/35/87/349313587.db2.gz IOFCENXJJVQCKP-NSHDSACASA-N 1 0 233.359 2.434 10 0 BEAERO Cc1nc(C2CCCC2)ncc1[C@@H](C)[NH3+] ZINC000054962582 179926780 /nfs/dbraw/zinc/92/67/80/179926780.db2.gz HGOJICNKNSQWSM-MRVPVSSYSA-N 1 0 205.305 2.462 10 0 BEAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1CN ZINC000616586768 349406336 /nfs/dbraw/zinc/40/63/36/349406336.db2.gz HZTWEYWLELOQRL-ZDUSSCGKSA-N 1 0 218.344 2.343 10 0 BEAERO Cc1nc(C)n([C@@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000041062737 179923057 /nfs/dbraw/zinc/92/30/57/179923057.db2.gz GAYMTPRFZLDFFE-NWDGAFQWSA-N 1 0 222.336 2.118 10 0 BEAERO Cc1nc(C)n([C@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000041062740 179924631 /nfs/dbraw/zinc/92/46/31/179924631.db2.gz GAYMTPRFZLDFFE-NEPJUHHUSA-N 1 0 222.336 2.118 10 0 BEAERO [NH3+]Cc1nccc2ccc(Br)cc21 ZINC000217010195 350014724 /nfs/dbraw/zinc/01/47/24/350014724.db2.gz JJPXUXBJIGEOBN-UHFFFAOYSA-N 1 0 237.100 2.456 10 0 BEAERO Cc1nc(CC[NH3+])oc1-c1cccs1 ZINC000041217569 179934309 /nfs/dbraw/zinc/93/43/09/179934309.db2.gz RATSUTUUBQXLNG-UHFFFAOYSA-N 1 0 208.286 2.213 10 0 BEAERO CC[NH2+]CCCNc1nc(CC)cs1 ZINC000061894839 349411629 /nfs/dbraw/zinc/41/16/29/349411629.db2.gz JIRWWPNWPJZIBP-UHFFFAOYSA-N 1 0 213.350 2.117 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000324541196 323240789 /nfs/dbraw/zinc/24/07/89/323240789.db2.gz RRYBUUBAQHMXCX-RYUDHWBXSA-N 1 0 241.375 2.085 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000324541198 323240803 /nfs/dbraw/zinc/24/08/03/323240803.db2.gz RRYBUUBAQHMXCX-VXGBXAGGSA-N 1 0 241.375 2.085 10 0 BEAERO Cc1nc(Cc2nc(CC[NH3+])cs2)cs1 ZINC000061798275 179986455 /nfs/dbraw/zinc/98/64/55/179986455.db2.gz CKCJWGXDGPDZJQ-UHFFFAOYSA-N 1 0 239.369 2.000 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2cccnc2N)C1 ZINC000616613765 350066598 /nfs/dbraw/zinc/06/65/98/350066598.db2.gz PSYVARKYUNAGJU-JTQLQIEISA-N 1 0 219.332 2.252 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616613810 350067990 /nfs/dbraw/zinc/06/79/90/350067990.db2.gz RGNFXRHDDGBIBD-ZDUSSCGKSA-N 1 0 246.354 2.373 10 0 BEAERO Cc1nc(N2CCC(C)CC2)sc1C[NH3+] ZINC000054995096 180000390 /nfs/dbraw/zinc/00/03/90/180000390.db2.gz YXYKIBHHEQBQGM-UHFFFAOYSA-N 1 0 225.361 2.147 10 0 BEAERO Cc1nc(N2CCCCCC2)sc1C[NH3+] ZINC000054995626 180002162 /nfs/dbraw/zinc/00/21/62/180002162.db2.gz DXERVHMSXCIZAQ-UHFFFAOYSA-N 1 0 225.361 2.291 10 0 BEAERO Cc1nc(N2CCCC[C@H]2C)sc1C[NH3+] ZINC000054995273 180002833 /nfs/dbraw/zinc/00/28/33/180002833.db2.gz ZNHURCGSQFSSCE-MRVPVSSYSA-N 1 0 225.361 2.289 10 0 BEAERO Cc1nc(N[C@H]2CC[C@@H](C[NH3+])C2)sc1C ZINC000335577389 180024983 /nfs/dbraw/zinc/02/49/83/180024983.db2.gz DJWRALHNIFJYOC-ZJUUUORDSA-N 1 0 225.361 2.299 10 0 BEAERO Cc1nc([C@@H]2CCC[NH2+]C2)nc2c1CCCC2 ZINC000082546191 180046136 /nfs/dbraw/zinc/04/61/36/180046136.db2.gz IQPFWISMVWNBRA-LLVKDONJSA-N 1 0 231.343 2.131 10 0 BEAERO Cc1nc([C@H]([NH3+])C2CCOCC2)sc1C ZINC000052179396 180053411 /nfs/dbraw/zinc/05/34/11/180053411.db2.gz QPRHSEKSNBJLPH-SNVBAGLBSA-N 1 0 226.345 2.186 10 0 BEAERO Cc1nc([C@]2([NH3+])C[C@H](C)CC(C)(C)C2)no1 ZINC000036762409 180059099 /nfs/dbraw/zinc/05/90/99/180059099.db2.gz QRCKZJUMXYBVQZ-PELKAZGASA-N 1 0 223.320 2.378 10 0 BEAERO C[C@H](CC[NH2+]Cc1cccc(F)c1)[S@@](C)=O ZINC000132595621 191034265 /nfs/dbraw/zinc/03/42/65/191034265.db2.gz BUOQMFWGIQCNEF-HWPZZCPQSA-N 1 0 243.347 2.072 10 0 BEAERO Cc1ccccc1COC[C@H]1CCC[NH2+]1 ZINC000051816182 350136164 /nfs/dbraw/zinc/13/61/64/350136164.db2.gz QKPJSXPVVLIKDU-CYBMUJFWSA-N 1 0 205.301 2.264 10 0 BEAERO Fc1ccc(F)c(COC[C@H]2CCC[NH2+]C2)c1 ZINC000051815597 350136382 /nfs/dbraw/zinc/13/63/82/350136382.db2.gz VZNNWXJEYCVALO-JTQLQIEISA-N 1 0 241.281 2.481 10 0 BEAERO Cc1nn2ccn(C3CCCC3)c2c1C[NH3+] ZINC000409438167 350137854 /nfs/dbraw/zinc/13/78/54/350137854.db2.gz LEWJLHJZUMYCQZ-UHFFFAOYSA-N 1 0 218.304 2.018 10 0 BEAERO Cc1nc2ccccn2c1C[NH2+][C@H]1C[C@H]1C ZINC000052273855 180106656 /nfs/dbraw/zinc/10/66/56/180106656.db2.gz SBDIRPCICOUTOC-KOLCDFICSA-N 1 0 215.300 2.141 10 0 BEAERO Cc1noc(CC[NH2+]CC2CCC(C)CC2)n1 ZINC000133076427 191035928 /nfs/dbraw/zinc/03/59/28/191035928.db2.gz SHZAHAAPAUDHBW-UHFFFAOYSA-N 1 0 237.347 2.336 10 0 BEAERO COCc1ccc(OC(F)(F)F)c(C[NH3+])c1 ZINC000220013836 350155923 /nfs/dbraw/zinc/15/59/23/350155923.db2.gz BRSVJAIXGUXRBM-UHFFFAOYSA-N 1 0 235.205 2.190 10 0 BEAERO CCc1ccc(C[NH2+]CC2(CCO)CC2)o1 ZINC000133058906 191036970 /nfs/dbraw/zinc/03/69/70/191036970.db2.gz GOESJUGYYQSOCW-UHFFFAOYSA-N 1 0 223.316 2.094 10 0 BEAERO CC(C)([NH3+])COc1cnccc1C(F)(F)F ZINC000309199811 350168289 /nfs/dbraw/zinc/16/82/89/350168289.db2.gz WXFDTULDVRDEEE-UHFFFAOYSA-N 1 0 234.221 2.217 10 0 BEAERO CC1CCC(C[NH2+]CCC[S@](C)=O)CC1 ZINC000133130907 191038345 /nfs/dbraw/zinc/03/83/45/191038345.db2.gz DYJHBVNFIWDXQO-KOHJWAIASA-N 1 0 231.405 2.171 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304513978 350161281 /nfs/dbraw/zinc/16/12/81/350161281.db2.gz DRCGNHXMUPJQKP-REWJHTLYSA-N 1 0 222.376 2.249 10 0 BEAERO CSCCCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000133699311 191040949 /nfs/dbraw/zinc/04/09/49/191040949.db2.gz JTQNTIWBTCRLFO-NWDGAFQWSA-N 1 0 242.432 2.344 10 0 BEAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C)C1=O ZINC000125824548 538058671 /nfs/dbraw/zinc/05/86/71/538058671.db2.gz OAZGVNJEKHHNNM-RWMBFGLXSA-N 1 0 238.375 2.022 10 0 BEAERO CCOC[C@H](C)[NH2+]CCCCSC ZINC000133690453 191042100 /nfs/dbraw/zinc/04/21/00/191042100.db2.gz SZIHNDDLIUGIDB-JTQLQIEISA-N 1 0 205.367 2.144 10 0 BEAERO C[C@H](C[NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000083021540 538062323 /nfs/dbraw/zinc/06/23/23/538062323.db2.gz MUPRBTBUCCHHTQ-SVGQVSJJSA-N 1 0 205.710 2.030 10 0 BEAERO Cc1nc2ccccc2nc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063177231 180105960 /nfs/dbraw/zinc/10/59/60/180105960.db2.gz UVBIFFAXCLCHTH-WDEREUQCSA-N 1 0 242.326 2.230 10 0 BEAERO CC(C)=CC[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000236859614 191064371 /nfs/dbraw/zinc/06/43/71/191064371.db2.gz YZBKRLZUYFWLTI-LBPRGKRZSA-N 1 0 248.374 2.272 10 0 BEAERO Cc1ncc(CNC2=[NH+]C(C)(C)CS2)s1 ZINC000049534272 180149835 /nfs/dbraw/zinc/14/98/35/180149835.db2.gz DCQYOMFGXYPQIY-UHFFFAOYSA-N 1 0 241.385 2.423 10 0 BEAERO Cc1nccc(C[NH2+][C@@H](C)c2ccc(O)cc2)n1 ZINC000038037355 180190852 /nfs/dbraw/zinc/19/08/52/180190852.db2.gz VSIITGZJEZQEJP-JTQLQIEISA-N 1 0 243.310 2.341 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1c1noc(C2CCCC2)n1 ZINC000074044788 350236384 /nfs/dbraw/zinc/23/63/84/350236384.db2.gz JJFHXKWOVXQTPB-UWVGGRQHSA-N 1 0 221.304 2.322 10 0 BEAERO CC[C@@H](C)c1nc2ccccn2c1C[NH3+] ZINC000725259729 538080518 /nfs/dbraw/zinc/08/05/18/538080518.db2.gz HNIZXDWUYMUYBO-SECBINFHSA-N 1 0 203.289 2.307 10 0 BEAERO [NH3+][C@@H]1C=Cc2c(ccn2Cc2ccccc2)C1 ZINC000222898019 350255096 /nfs/dbraw/zinc/25/50/96/350255096.db2.gz RPEFHEQMWFCSCX-CQSZACIVSA-N 1 0 224.307 2.433 10 0 BEAERO Cc1nccn1[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000023067758 180272361 /nfs/dbraw/zinc/27/23/61/180272361.db2.gz JKRGFVMYJNGOCQ-GXFFZTMASA-N 1 0 215.300 2.453 10 0 BEAERO Cc1nccn1[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043046124 180272395 /nfs/dbraw/zinc/27/23/95/180272395.db2.gz UMBZKDATENRKFE-TVQRCGJNSA-N 1 0 233.290 2.267 10 0 BEAERO CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000725262055 538087854 /nfs/dbraw/zinc/08/78/54/538087854.db2.gz TZAIXNPXRPFETO-GMTAPVOTSA-N 1 0 242.363 2.430 10 0 BEAERO CCCc1nsc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000083670862 350285178 /nfs/dbraw/zinc/28/51/78/350285178.db2.gz LEZGYXVBFUNCCK-SECBINFHSA-N 1 0 242.392 2.276 10 0 BEAERO CCCc1nsc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000083670860 350285282 /nfs/dbraw/zinc/28/52/82/350285282.db2.gz LEZGYXVBFUNCCK-VIFPVBQESA-N 1 0 242.392 2.276 10 0 BEAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCF ZINC000151438205 180266358 /nfs/dbraw/zinc/26/63/58/180266358.db2.gz HFEQVGXIKGATBZ-LBPRGKRZSA-N 1 0 225.311 2.016 10 0 BEAERO C[C@@H]1CNCC[N@@H+]1C1CCC(C)(C)CC1 ZINC000083087660 538082455 /nfs/dbraw/zinc/08/24/55/538082455.db2.gz YGVVKRCKGMYRCZ-LLVKDONJSA-N 1 0 210.365 2.249 10 0 BEAERO Cc1nccn1[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902725 180271233 /nfs/dbraw/zinc/27/12/33/180271233.db2.gz CSWBAQOTXUKFIB-ZWNOBZJWSA-N 1 0 215.300 2.128 10 0 BEAERO Cc1nccn1[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043124116 180271667 /nfs/dbraw/zinc/27/16/67/180271667.db2.gz GNFCWGAHTBUQKH-LDYMZIIASA-N 1 0 221.329 2.190 10 0 BEAERO Cc1nccn1Cc1occc1C[NH2+]C(C)C ZINC000052576068 180271797 /nfs/dbraw/zinc/27/17/97/180271797.db2.gz NNZPMQJPKQGRKZ-UHFFFAOYSA-N 1 0 233.315 2.331 10 0 BEAERO C[C@@]1(N)C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725262841 538089784 /nfs/dbraw/zinc/08/97/84/538089784.db2.gz YGOWQTOGQJSRMH-WDEREUQCSA-N 1 0 244.260 2.110 10 0 BEAERO Cc1ncn([C@@H](C[NH3+])c2cccs2)c1C ZINC000051925853 180289439 /nfs/dbraw/zinc/28/94/39/180289439.db2.gz INAGVPMQIPVPGW-JTQLQIEISA-N 1 0 221.329 2.110 10 0 BEAERO Cc1ncn([C@H]2Cc3ccccc3[C@@H]2[NH3+])c1C ZINC000051926450 180289688 /nfs/dbraw/zinc/28/96/88/180289688.db2.gz LDMPNTXERQRTJD-KBPBESRZSA-N 1 0 227.311 2.297 10 0 BEAERO CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]1 ZINC000725262056 538087913 /nfs/dbraw/zinc/08/79/13/538087913.db2.gz TZAIXNPXRPFETO-HBNTYKKESA-N 1 0 242.363 2.430 10 0 BEAERO CC[C@@H]1CCC(OC)(OC)[C@@H](CC[NH3+])C1 ZINC000725261951 538087915 /nfs/dbraw/zinc/08/79/15/538087915.db2.gz OEPGXXMPNJEGSO-MNOVXSKESA-N 1 0 215.337 2.151 10 0 BEAERO Cc1ncnc(C)c1CC[NH2+]C(C)(C)C ZINC000054853927 180291730 /nfs/dbraw/zinc/29/17/30/180291730.db2.gz AZTIMMCUORXCNK-UHFFFAOYSA-N 1 0 207.321 2.024 10 0 BEAERO [NH3+][C@H](Cc1cccs1)c1ccncc1 ZINC000038128694 350308550 /nfs/dbraw/zinc/30/85/50/350308550.db2.gz OHBONXUWSHMOBH-LLVKDONJSA-N 1 0 204.298 2.386 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000219213896 180283759 /nfs/dbraw/zinc/28/37/59/180283759.db2.gz TVUUJABVKJLVAW-DLOVCJGASA-N 1 0 235.331 2.003 10 0 BEAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000219213732 180284483 /nfs/dbraw/zinc/28/44/83/180284483.db2.gz TVUUJABVKJLVAW-ZMLRMANQSA-N 1 0 235.331 2.003 10 0 BEAERO [NH3+][C@H]1CCOc2c(Cl)cc(F)cc21 ZINC000037901960 350290500 /nfs/dbraw/zinc/29/05/00/350290500.db2.gz YXTFAAHHOXCWKE-QMMMGPOBSA-N 1 0 201.628 2.261 10 0 BEAERO [NH3+][C@@H]1CCOc2c(Cl)cc(F)cc21 ZINC000037901959 350290722 /nfs/dbraw/zinc/29/07/22/350290722.db2.gz YXTFAAHHOXCWKE-MRVPVSSYSA-N 1 0 201.628 2.261 10 0 BEAERO COC(=O)C1CC[NH+]([C@@H]2CC[C@H]3CC[C@@H]32)CC1 ZINC000725263959 538090566 /nfs/dbraw/zinc/09/05/66/538090566.db2.gz XSSQWZWWEJJBNO-KGYLQXTDSA-N 1 0 237.343 2.060 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000079341868 350360328 /nfs/dbraw/zinc/36/03/28/350360328.db2.gz GDUUUEONYQNZRN-VXGBXAGGSA-N 1 0 240.391 2.269 10 0 BEAERO Cc1ncsc1CC[NH2+]CCc1ccncc1 ZINC000050284859 180308679 /nfs/dbraw/zinc/30/86/79/180308679.db2.gz DADNANYXBWAPFR-UHFFFAOYSA-N 1 0 247.367 2.221 10 0 BEAERO Cc1ncsc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000084224010 180327733 /nfs/dbraw/zinc/32/77/33/180327733.db2.gz OXOKAISNNKVSTK-GDPRMGEGSA-N 1 0 240.372 2.263 10 0 BEAERO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccccc1 ZINC000057362280 180336461 /nfs/dbraw/zinc/33/64/61/180336461.db2.gz BYQXTYACMZOZGD-UHFFFAOYSA-N 1 0 243.354 2.369 10 0 BEAERO Cc1nn(-c2cccc(F)c2)c(C)c1C[NH3+] ZINC000041232419 180329253 /nfs/dbraw/zinc/32/92/53/180329253.db2.gz ONLDDMQJVPLNHL-UHFFFAOYSA-N 1 0 219.263 2.087 10 0 BEAERO CC(C)[C@H](CC[NH3+])C(=O)N(C)Cc1ccccc1 ZINC000076634164 187445690 /nfs/dbraw/zinc/44/56/90/187445690.db2.gz LNZIUYLQALSKHE-AWEZNQCLSA-N 1 0 248.370 2.266 10 0 BEAERO Cc1cc(C)c(NC(=O)C2(C[NH3+])CC2)c(C)c1 ZINC000077364014 187446088 /nfs/dbraw/zinc/44/60/88/187446088.db2.gz QLMVUZUWFJOBQW-UHFFFAOYSA-N 1 0 232.327 2.289 10 0 BEAERO Cc1nn(C)c(C)c1[C@@H]([NH3+])c1ccccc1F ZINC000075872398 180347282 /nfs/dbraw/zinc/34/72/82/180347282.db2.gz ZIVXAHIXVANNIR-ZDUSSCGKSA-N 1 0 233.290 2.224 10 0 BEAERO c1cc(-c2nnc([C@H]3CCC[NH2+]C3)o2)cs1 ZINC000616591685 350409080 /nfs/dbraw/zinc/40/90/80/350409080.db2.gz PZFGREVHPAWBDP-QMMMGPOBSA-N 1 0 235.312 2.265 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2cccc(F)c2)CC1 ZINC000616592534 350464434 /nfs/dbraw/zinc/46/44/34/350464434.db2.gz BNICMKULJPMJMS-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO c1ccc2c(c1)cncc2[C@@H]1CC[NH2+]CCO1 ZINC000616592509 350464473 /nfs/dbraw/zinc/46/44/73/350464473.db2.gz FHZBBVRTGUEHCI-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000300250017 490553473 /nfs/dbraw/zinc/55/34/73/490553473.db2.gz OASFTTQHRYHCSC-RDBSUJKOSA-N 1 0 240.391 2.018 10 0 BEAERO C[NH2+]C[C@H](CC(F)(F)F)C1CCOCC1 ZINC000409425284 350476832 /nfs/dbraw/zinc/47/68/32/350476832.db2.gz KKOMGNQHPFQMLM-VIFPVBQESA-N 1 0 225.254 2.201 10 0 BEAERO FC1(F)[C@H](C2CC[NH2+]CC2)C12CCC2 ZINC000409436636 350479799 /nfs/dbraw/zinc/47/97/99/350479799.db2.gz OOGQNHKLGCMQCV-SECBINFHSA-N 1 0 201.260 2.421 10 0 BEAERO CCCCc1cc(C[NH3+])nc(C2CC2)n1 ZINC000409437246 350480393 /nfs/dbraw/zinc/48/03/93/350480393.db2.gz FIAODLUMFQKFPP-UHFFFAOYSA-N 1 0 205.305 2.155 10 0 BEAERO CC(C)n1nc(C2CC[NH2+]CC2)c2c1CCC2 ZINC000409438149 350481096 /nfs/dbraw/zinc/48/10/96/350481096.db2.gz KELBSMFRBYEPKD-UHFFFAOYSA-N 1 0 233.359 2.420 10 0 BEAERO Cc1nn([C@@H](C)C[NH2+]C(C)C)c(C)c1C ZINC000052591734 180392197 /nfs/dbraw/zinc/39/21/97/180392197.db2.gz RBSLPRMPVRKANM-VIFPVBQESA-N 1 0 209.337 2.367 10 0 BEAERO Cc1nn([C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1C ZINC000040729050 180392296 /nfs/dbraw/zinc/39/22/96/180392296.db2.gz FRXKUIYAYCQKPE-CHWSQXEVSA-N 1 0 221.348 2.498 10 0 BEAERO Cc1nn([C@@H](C[NH3+])c2ccco2)c(C)c1Cl ZINC000050586332 180392352 /nfs/dbraw/zinc/39/23/52/180392352.db2.gz VHGUNGGSYHTWDO-VIFPVBQESA-N 1 0 239.706 2.294 10 0 BEAERO Cc1nn([C@@H](C[NH3+])C(C)(C)C)c(C)c1C ZINC000043295020 180392372 /nfs/dbraw/zinc/39/23/72/180392372.db2.gz ONCHXHMPGXDQHI-NSHDSACASA-N 1 0 209.337 2.354 10 0 BEAERO Cc1nn([C@@H](C)CCC[NH3+])c(C)c1Cl ZINC000052573916 180392676 /nfs/dbraw/zinc/39/26/76/180392676.db2.gz YUHZNRWKWMBFAD-ZETCQYMHSA-N 1 0 215.728 2.453 10 0 BEAERO Cc1nn([C@H]2CCC[NH2+]C2)c(C)c1Cl ZINC000050586797 180393154 /nfs/dbraw/zinc/39/31/54/180393154.db2.gz GROXUUOMRSVKLA-VIFPVBQESA-N 1 0 213.712 2.078 10 0 BEAERO Cc1nn([C@H](C)CC[NH3+])c(C)c1Br ZINC000020313529 180393466 /nfs/dbraw/zinc/39/34/66/180393466.db2.gz GYIRCNBIUOJUNA-ZCFIWIBFSA-N 1 0 246.152 2.172 10 0 BEAERO Cc1nn([C@H]2CCCC[C@@H]2[NH3+])c(C)c1C ZINC000040729364 180393527 /nfs/dbraw/zinc/39/35/27/180393527.db2.gz QZIIERGKPKJILM-RYUDHWBXSA-N 1 0 207.321 2.251 10 0 BEAERO c1nc(C2=CC[NH2+]CC2)cn1Cc1ccccc1 ZINC000014986065 350494709 /nfs/dbraw/zinc/49/47/09/350494709.db2.gz DYYDACYEBRVTRC-UHFFFAOYSA-N 1 0 239.322 2.308 10 0 BEAERO Cc1nn(CC(C)C)c(C)c1C[C@@H](C)[NH3+] ZINC000054741001 180385987 /nfs/dbraw/zinc/38/59/87/180385987.db2.gz NNPXIHCEWUUXOA-SECBINFHSA-N 1 0 209.337 2.046 10 0 BEAERO Cc1nn(CC[C@@H]2CCCC[NH2+]2)c(C)c1C ZINC000041671536 180389635 /nfs/dbraw/zinc/38/96/35/180389635.db2.gz DQOLGAYBKGOKSB-ZDUSSCGKSA-N 1 0 221.348 2.341 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000163179474 350504537 /nfs/dbraw/zinc/50/45/37/350504537.db2.gz RUGNOGCTQBZGMN-HZSPNIEDSA-N 1 0 223.360 2.412 10 0 BEAERO CC[C@H]([NH2+]C)[C@@H]1SCCS[C@@H]1C ZINC000228115375 350528933 /nfs/dbraw/zinc/52/89/33/350528933.db2.gz MRBITFWSEBVRPB-HRDYMLBCSA-N 1 0 205.392 2.222 10 0 BEAERO CN(C)[C@@H](C[NH3+])c1sccc1Br ZINC000228001933 350522938 /nfs/dbraw/zinc/52/29/38/350522938.db2.gz QHZGKXIFIKTTCF-ZETCQYMHSA-N 1 0 249.177 2.072 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616593346 350579743 /nfs/dbraw/zinc/57/97/43/350579743.db2.gz IXFVATUFMPBXAH-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094648679 350597003 /nfs/dbraw/zinc/59/70/03/350597003.db2.gz UGMMCWFVRHGFNF-FDYHWXHSSA-N 1 0 238.375 2.022 10 0 BEAERO C[N@@H+]1CCOC[C@H](c2cccc3ccncc32)C1 ZINC000616595370 350606529 /nfs/dbraw/zinc/60/65/29/350606529.db2.gz VYVWZJWOLKSEQG-CYBMUJFWSA-N 1 0 242.322 2.280 10 0 BEAERO CC[N@@H+]1CCO[C@@H](c2ccccc2CCO)CC1 ZINC000616595514 350607331 /nfs/dbraw/zinc/60/73/31/350607331.db2.gz WORBASJFZLPUGO-OAHLLOKOSA-N 1 0 249.354 2.005 10 0 BEAERO C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)CC1 ZINC000616595618 350610029 /nfs/dbraw/zinc/61/00/29/350610029.db2.gz XBSQVRRQQNCIPF-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(N)nc2)CC1 ZINC000616595812 350611708 /nfs/dbraw/zinc/61/17/08/350611708.db2.gz YYZDOOINHZMKBV-LBPRGKRZSA-N 1 0 249.358 2.056 10 0 BEAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ccnnc1 ZINC000616596650 350634332 /nfs/dbraw/zinc/63/43/32/350634332.db2.gz GOGQZMAKPYNTGP-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1ccc(OC)cc1 ZINC000616597558 350652681 /nfs/dbraw/zinc/65/26/81/350652681.db2.gz BFLOJFNNQZJXHI-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccc(N)c1 ZINC000616597625 350653593 /nfs/dbraw/zinc/65/35/93/350653593.db2.gz FACXHNQRZNNLRS-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO CC(=O)Nc1ccccc1[C@@H]1CCOCC[N@H+]1C ZINC000616598219 350657166 /nfs/dbraw/zinc/65/71/66/350657166.db2.gz MZYDBXDYQCZAOD-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO C[NH2+]CC[C@H](CO)[C@H](C)CCc1ccccc1 ZINC000725267344 538098375 /nfs/dbraw/zinc/09/83/75/538098375.db2.gz ZRFLZIUMOHGJPN-UKRRQHHQSA-N 1 0 235.371 2.473 10 0 BEAERO CC(C)C1CCC(C[NH2+][C@@H]2C[C@H]2CO)CC1 ZINC000309537567 350709246 /nfs/dbraw/zinc/70/92/46/350709246.db2.gz FUEXBICNSRQXOU-CLRIEMFWSA-N 1 0 225.376 2.419 10 0 BEAERO CCC(C)(C)[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000725267819 538098809 /nfs/dbraw/zinc/09/88/09/538098809.db2.gz ZWNGVOSGXVOVNK-STQMWFEESA-N 1 0 243.391 2.190 10 0 BEAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc(OC)c1 ZINC000616599665 350754166 /nfs/dbraw/zinc/75/41/66/350754166.db2.gz UEPAATNTZDRFII-CQSZACIVSA-N 1 0 235.327 2.479 10 0 BEAERO CCSCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000245430839 350818771 /nfs/dbraw/zinc/81/87/71/350818771.db2.gz NTDYPXFNVFJKAA-STQMWFEESA-N 1 0 242.432 2.298 10 0 BEAERO Nc1ccc2c(c1)C[C@@H](O)[C@H](C1CCCC1)N2 ZINC000725268106 538099466 /nfs/dbraw/zinc/09/94/66/538099466.db2.gz KAUBTIRPGZGXKL-KGLIPLIRSA-N 1 0 232.327 2.157 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1cccc(F)c1 ZINC000616600019 350778769 /nfs/dbraw/zinc/77/87/69/350778769.db2.gz XCVUIWRTXSUTPZ-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CCN1CCOC[C@@H]1c1cnnc2ccccc21 ZINC000616600376 350779673 /nfs/dbraw/zinc/77/96/73/350779673.db2.gz FZLDUIOQXNELMW-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO COc1ccc([C@@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616601303 350782108 /nfs/dbraw/zinc/78/21/08/350782108.db2.gz NPMRTYITPQYUOF-CYBMUJFWSA-N 1 0 249.354 2.257 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)CC1 ZINC000616601302 350782274 /nfs/dbraw/zinc/78/22/74/350782274.db2.gz NPMMRSFVBMPJPL-LLVKDONJSA-N 1 0 207.321 2.388 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cc[nH]n2)CC1 ZINC000616603420 350788783 /nfs/dbraw/zinc/78/87/83/350788783.db2.gz WOSDEEWIRLKNED-NSHDSACASA-N 1 0 207.321 2.388 10 0 BEAERO [NH3+]CCN1CCC[C@H](c2ccccc2F)CC1 ZINC000616602168 350791011 /nfs/dbraw/zinc/79/10/11/350791011.db2.gz XZFSPESMXZOBBC-LBPRGKRZSA-N 1 0 236.334 2.354 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H](c2cnno2)C1 ZINC000616604860 350793247 /nfs/dbraw/zinc/79/32/47/350793247.db2.gz REMLZEGEWASNOG-JTQLQIEISA-N 1 0 209.293 2.048 10 0 BEAERO C[N@@H+]1CCCC[C@@H](c2ccc(N)cc2)C1 ZINC000616604964 350794085 /nfs/dbraw/zinc/79/40/85/350794085.db2.gz HLNKCPWKGBWQIV-GFCCVEGCSA-N 1 0 204.317 2.468 10 0 BEAERO [NH3+]CCN1CCCC[C@@H](c2ccccc2F)C1 ZINC000616604984 350794239 /nfs/dbraw/zinc/79/42/39/350794239.db2.gz ISKBUJNVVLBTIG-GFCCVEGCSA-N 1 0 236.334 2.354 10 0 BEAERO OCC[N@@H+]1CCCCC[C@@H]1c1cccc(CO)c1 ZINC000616605440 350794924 /nfs/dbraw/zinc/79/49/24/350794924.db2.gz KVRYTWPEAQSGBY-OAHLLOKOSA-N 1 0 249.354 2.088 10 0 BEAERO OCc1ccc([C@@H]2CCCC[NH2+]C2)cc1 ZINC000616605556 350795041 /nfs/dbraw/zinc/79/50/41/350795041.db2.gz MJLHXHJRRHVRAM-CYBMUJFWSA-N 1 0 205.301 2.036 10 0 BEAERO CNc1ccc([C@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616603943 350795699 /nfs/dbraw/zinc/79/56/99/350795699.db2.gz KOWCXJPFUVOXBL-AWEZNQCLSA-N 1 0 248.370 2.290 10 0 BEAERO C[N@@H+]1CCC[C@H]1c1cc2ccccc2nn1 ZINC000616606365 350797567 /nfs/dbraw/zinc/79/75/67/350797567.db2.gz GSDFDSCHECHLLE-ZDUSSCGKSA-N 1 0 213.284 2.397 10 0 BEAERO OCC[N@@H+]1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616606562 350798174 /nfs/dbraw/zinc/79/81/74/350798174.db2.gz CPKIIYUDIHUSLK-OAHLLOKOSA-N 1 0 242.322 2.364 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616607054 350799324 /nfs/dbraw/zinc/79/93/24/350799324.db2.gz CYKXLAWYQKTIBF-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO CC[N@@H+]1CCC[C@H]1c1ccc(CCO)cc1 ZINC000616607374 350801404 /nfs/dbraw/zinc/80/14/04/350801404.db2.gz OXEKCSYNLZOYJQ-AWEZNQCLSA-N 1 0 219.328 2.378 10 0 BEAERO C[N@@H+]1CCC[C@@H](c2ccc(N)cc2)CC1 ZINC000616609604 350803700 /nfs/dbraw/zinc/80/37/00/350803700.db2.gz DQMGJHBMRILJBK-LLVKDONJSA-N 1 0 204.317 2.468 10 0 BEAERO OCC[N@@H+]1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616608401 350804666 /nfs/dbraw/zinc/80/46/66/350804666.db2.gz STXJPZVMHZGMDO-HNNXBMFYSA-N 1 0 242.322 2.364 10 0 BEAERO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccccn2)C1 ZINC000616614342 350831959 /nfs/dbraw/zinc/83/19/59/350831959.db2.gz JUIVXWLHVZTWFN-LLVKDONJSA-N 1 0 219.332 2.366 10 0 BEAERO Cc1cc(C(=O)[C@@H]2CCC[NH2+][C@H]2C)sn1 ZINC000306684319 350842151 /nfs/dbraw/zinc/84/21/51/350842151.db2.gz ZOKSEDYWQKYWRV-DTWKUNHWSA-N 1 0 224.329 2.022 10 0 BEAERO c1cc2ccnnc2c([C@@H]2CCCC[NH2+]2)c1 ZINC000616615248 350846114 /nfs/dbraw/zinc/84/61/14/350846114.db2.gz JOHADWAZKHKWBZ-LBPRGKRZSA-N 1 0 213.284 2.444 10 0 BEAERO C[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000306696090 350846540 /nfs/dbraw/zinc/84/65/40/350846540.db2.gz WVNOLAGAFAOEDE-RXMQYKEDSA-N 1 0 233.084 2.264 10 0 BEAERO COc1nc([C@H]2CCCCC[NH2+]2)cs1 ZINC000306701953 350850955 /nfs/dbraw/zinc/85/09/55/350850955.db2.gz HHLIOLCZIRFGAX-MRVPVSSYSA-N 1 0 212.318 2.356 10 0 BEAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccncn1 ZINC000616615810 350851325 /nfs/dbraw/zinc/85/13/25/350851325.db2.gz TUPWKEHZNLCPBY-LBPRGKRZSA-N 1 0 205.305 2.412 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)NCc2ccccc2)[NH2+][C@@H]1C ZINC000306704855 350853281 /nfs/dbraw/zinc/85/32/81/350853281.db2.gz CKBBTLVHQUMMCP-YRGRVCCFSA-N 1 0 246.354 2.079 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)NCc2ccccc2)[NH2+][C@H]1C ZINC000306704853 350853428 /nfs/dbraw/zinc/85/34/28/350853428.db2.gz CKBBTLVHQUMMCP-MBNYWOFBSA-N 1 0 246.354 2.079 10 0 BEAERO CC(C)CNC(=[NH2+])[C@]1(C)CCCS1 ZINC000306707030 350854866 /nfs/dbraw/zinc/85/48/66/350854866.db2.gz MFMAXTRDTKPDEA-JTQLQIEISA-N 1 0 200.351 2.495 10 0 BEAERO COc1nc(C2=C[C@H]([NH3+])CCC2)cs1 ZINC000306708999 350855745 /nfs/dbraw/zinc/85/57/45/350855745.db2.gz OPBGUCMUJFKJEJ-MRVPVSSYSA-N 1 0 210.302 2.046 10 0 BEAERO CNc1ccccc1[C@@H]1CCCC[N@@H+]1CCO ZINC000616616690 350857460 /nfs/dbraw/zinc/85/74/60/350857460.db2.gz TWYLZHYLURVWES-AWEZNQCLSA-N 1 0 234.343 2.248 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](c2cccnc2N)C1 ZINC000616617049 350861269 /nfs/dbraw/zinc/86/12/69/350861269.db2.gz GZNBNPPEARUALT-LLVKDONJSA-N 1 0 219.332 2.252 10 0 BEAERO [NH2+]=C(Nc1cccc(Cl)c1)NC1CC1 ZINC000052069618 350900805 /nfs/dbraw/zinc/90/08/05/350900805.db2.gz AEXJNOKUTHBZHK-UHFFFAOYSA-N 1 0 209.680 2.439 10 0 BEAERO c1cc2ccnnc2c([C@@H]2CCC[NH2+]C2)c1 ZINC000616618374 350901119 /nfs/dbraw/zinc/90/11/19/350901119.db2.gz UULHWHSMEGGZNG-LLVKDONJSA-N 1 0 213.284 2.097 10 0 BEAERO CNC(=[NH2+])Nc1ccc(C)cc1Br ZINC000052069177 350902528 /nfs/dbraw/zinc/90/25/28/350902528.db2.gz IUAVNERFIDKRJO-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO C[C@@H]1CCC[N@H+](CC[C@H]2CCCC2=O)C1 ZINC000252172506 350909565 /nfs/dbraw/zinc/90/95/65/350909565.db2.gz OGCYEQLZIMHSBO-VXGBXAGGSA-N 1 0 209.333 2.478 10 0 BEAERO CCCNC(=[NH2+])[C@@H]1SCCS[C@H]1C ZINC000252722173 350914746 /nfs/dbraw/zinc/91/47/46/350914746.db2.gz PVCZUHRIGWVKOU-JGVFFNPUSA-N 1 0 218.391 2.200 10 0 BEAERO CC[C@H]1SCCS[C@H]1C(=[NH2+])NC1CC1 ZINC000252717798 350914988 /nfs/dbraw/zinc/91/49/88/350914988.db2.gz CGRNNDRWYCPJDG-RKDXNWHRSA-N 1 0 230.402 2.343 10 0 BEAERO C[C@H]1SCCS[C@H]1C(=[NH2+])N1CCCC1 ZINC000252720501 350915070 /nfs/dbraw/zinc/91/50/70/350915070.db2.gz KYNHTOALBUYMPP-RKDXNWHRSA-N 1 0 230.402 2.297 10 0 BEAERO O=C(C1CCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000253162645 350919816 /nfs/dbraw/zinc/91/98/16/350919816.db2.gz NDAVAARKVSOHLQ-UTUOFQBUSA-N 1 0 207.317 2.276 10 0 BEAERO C[NH+]1CCC(c2ccc3ccnnc3c2)CC1 ZINC000616619474 350927637 /nfs/dbraw/zinc/92/76/37/350927637.db2.gz PKGGBPHVPQAQTE-UHFFFAOYSA-N 1 0 227.311 2.439 10 0 BEAERO [NH2+]=C(NCc1ccccc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000306747898 350934676 /nfs/dbraw/zinc/93/46/76/350934676.db2.gz KSDJNXFBEFIJFI-OKILXGFUSA-N 1 0 243.354 2.443 10 0 BEAERO Nc1ccc2c(c1)C[C@@H](O)[C@@H](C1CCCC1)N2 ZINC000725268108 538099677 /nfs/dbraw/zinc/09/96/77/538099677.db2.gz KAUBTIRPGZGXKL-ZIAGYGMSSA-N 1 0 232.327 2.157 10 0 BEAERO C[N@@H+]1CCCCC[C@H]1c1cccnc1N ZINC000616620231 350937657 /nfs/dbraw/zinc/93/76/57/350937657.db2.gz DGOWEERXTWHNQF-NSHDSACASA-N 1 0 205.305 2.211 10 0 BEAERO CC(C)[N@@H+]1CCC[C@H](c2cccnc2N)C1 ZINC000616617723 350873441 /nfs/dbraw/zinc/87/34/41/350873441.db2.gz GZNBNPPEARUALT-NSHDSACASA-N 1 0 219.332 2.252 10 0 BEAERO Cc1csc(NC[C@H]([NH3+])C(C)(C)C)n1 ZINC000306714803 350875921 /nfs/dbraw/zinc/87/59/21/350875921.db2.gz XRGOOGVMVLJWCV-QMMMGPOBSA-N 1 0 213.350 2.237 10 0 BEAERO CC(C)(C)[C@@H]1C[NH+]=C(NCC(F)F)S1 ZINC000306715104 350876888 /nfs/dbraw/zinc/87/68/88/350876888.db2.gz YGKAAUJFLWQYSS-LURJTMIESA-N 1 0 222.304 2.359 10 0 BEAERO CC(C)C[S@](=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000250560037 350882044 /nfs/dbraw/zinc/88/20/44/350882044.db2.gz HEQMCYLYFXIGIF-GYSYKLTISA-N 1 0 217.378 2.051 10 0 BEAERO CNC(=[NH2+])N[C@H](C)c1ccccc1Cl ZINC000052035971 350890156 /nfs/dbraw/zinc/89/01/56/350890156.db2.gz RIDDVHCLBPMWLK-SSDOTTSWSA-N 1 0 211.696 2.145 10 0 BEAERO CC(C)NC(=[NH2+])N[C@@H](C)c1cccs1 ZINC000052041931 350895411 /nfs/dbraw/zinc/89/54/11/350895411.db2.gz HOANXDHESQVJIC-QMMMGPOBSA-N 1 0 211.334 2.331 10 0 BEAERO N[C@H](C[NH3+])c1cc(Cl)sc1Cl ZINC000306750897 350959674 /nfs/dbraw/zinc/95/96/74/350959674.db2.gz JRBZTGXORCABAO-SCSAIBSYSA-N 1 0 211.117 2.013 10 0 BEAERO CC(C)CC[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000052246042 350971262 /nfs/dbraw/zinc/97/12/62/350971262.db2.gz NFRVBKBIHFBKPQ-GFCCVEGCSA-N 1 0 231.380 2.140 10 0 BEAERO CCC(C)(C)NC(=O)C[N@H+](C)CCC(C)C ZINC000052245828 350971862 /nfs/dbraw/zinc/97/18/62/350971862.db2.gz CYCMFOAJOIRBOB-UHFFFAOYSA-N 1 0 228.380 2.269 10 0 BEAERO CO[C@H](C(C)C)[C@@H]1[NH2+]CC[C@H](C)S1 ZINC000306761849 350987780 /nfs/dbraw/zinc/98/77/80/350987780.db2.gz DFAGZPFHFAOTRM-IVZWLZJFSA-N 1 0 203.351 2.099 10 0 BEAERO C[C@H](C[NH2+]C1CC1)N(C)Cc1ccccc1 ZINC000052417394 350991929 /nfs/dbraw/zinc/99/19/29/350991929.db2.gz YPEMBYBDMNBQNB-GFCCVEGCSA-N 1 0 218.344 2.259 10 0 BEAERO Cc1nnc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)n1C ZINC000052440212 351000126 /nfs/dbraw/zinc/00/01/26/351000126.db2.gz VQQIBAYQQVUOPY-OLZOCXBDSA-N 1 0 248.374 2.278 10 0 BEAERO CO[C@H](C)[C@]1(C)[NH2+]CCc2sccc21 ZINC000306770570 351003635 /nfs/dbraw/zinc/00/36/35/351003635.db2.gz FXVRGCLXMRXQKR-KCJUWKMLSA-N 1 0 211.330 2.144 10 0 BEAERO C[NH2+][C@@H]1COc2c1cc(Br)cc2C ZINC000063061413 350949067 /nfs/dbraw/zinc/94/90/67/350949067.db2.gz ZHBQOSMOHNFGBM-SECBINFHSA-N 1 0 242.116 2.410 10 0 BEAERO [NH3+][C@H]1CCO[C@@H]1c1csc(Br)c1 ZINC000306781340 351026606 /nfs/dbraw/zinc/02/66/06/351026606.db2.gz DSZROMFZORFSFR-POYBYMJQSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CCO[C@@H]1c1csc(Br)c1 ZINC000306781337 351026670 /nfs/dbraw/zinc/02/66/70/351026670.db2.gz DSZROMFZORFSFR-HTRCEHHLSA-N 1 0 248.145 2.299 10 0 BEAERO C[C@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)CS1 ZINC000306782879 351028227 /nfs/dbraw/zinc/02/82/27/351028227.db2.gz RAYUIFRYLHSGAV-JQWIXIFHSA-N 1 0 249.383 2.195 10 0 BEAERO F[C@]1(c2ccns2)CCC[NH2+]CC1 ZINC000306795285 351042935 /nfs/dbraw/zinc/04/29/35/351042935.db2.gz ILZUAQUCPIKBMW-SECBINFHSA-N 1 0 200.282 2.081 10 0 BEAERO CC(C)[C@H](c1nc(-c2cccnc2)no1)[C@H](C)[NH3+] ZINC000109495168 191129732 /nfs/dbraw/zinc/12/97/32/191129732.db2.gz MZJMGDDXQLIDDM-ONGXEEELSA-N 1 0 246.314 2.218 10 0 BEAERO [NH3+][C@H](c1ccsc1)C1(CO)CCCC1 ZINC000306807307 351059512 /nfs/dbraw/zinc/05/95/12/351059512.db2.gz LXFRFCCFGOEEKE-SNVBAGLBSA-N 1 0 211.330 2.301 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2ccccn2)CC1 ZINC000616630102 351102015 /nfs/dbraw/zinc/10/20/15/351102015.db2.gz WBUOHZJIUUHVSW-LBPRGKRZSA-N 1 0 219.332 2.368 10 0 BEAERO OCCc1ccccc1[C@H]1CCCC[NH2+]C1 ZINC000616630597 351103272 /nfs/dbraw/zinc/10/32/72/351103272.db2.gz NFEHPPQDBLBPDA-ZDUSSCGKSA-N 1 0 219.328 2.079 10 0 BEAERO CC(=O)Nc1cccc([C@H]2CC[N@@H+](C)C2)c1 ZINC000616633600 351115261 /nfs/dbraw/zinc/11/52/61/351115261.db2.gz NWZYGTUJAWBOLB-LBPRGKRZSA-N 1 0 218.300 2.064 10 0 BEAERO C[N@@H+]1CCC[C@H]1c1cnnc2ccccc21 ZINC000616634562 351117150 /nfs/dbraw/zinc/11/71/50/351117150.db2.gz TVOXDVGSDZENGX-ZDUSSCGKSA-N 1 0 213.284 2.397 10 0 BEAERO c1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000616635019 351117728 /nfs/dbraw/zinc/11/77/28/351117728.db2.gz ZSENSWPDVVMHCA-ZDUSSCGKSA-N 1 0 227.311 2.399 10 0 BEAERO CC[N@@H+]1CCCCC[C@H]1c1cccnn1 ZINC000616622478 351085961 /nfs/dbraw/zinc/08/59/61/351085961.db2.gz ZJFUDUNRUGQQBB-LBPRGKRZSA-N 1 0 205.305 2.414 10 0 BEAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1conn1 ZINC000616622446 351086062 /nfs/dbraw/zinc/08/60/62/351086062.db2.gz CGDGYEZPPSNMCX-LLVKDONJSA-N 1 0 209.293 2.395 10 0 BEAERO C[N@@H+]1CCCCC[C@@H]1c1cccc(N)n1 ZINC000616622540 351086838 /nfs/dbraw/zinc/08/68/38/351086838.db2.gz DPNBNRVAKCZBGV-LLVKDONJSA-N 1 0 205.305 2.211 10 0 BEAERO CC(=O)Nc1ccccc1[C@@H]1CC[N@@H+](C)C1 ZINC000616625429 351093612 /nfs/dbraw/zinc/09/36/12/351093612.db2.gz MYDKUZIZPJONGG-LLVKDONJSA-N 1 0 218.300 2.064 10 0 BEAERO [NH3+]CCN1CCC[C@@H](c2cccc(F)c2)CC1 ZINC000616628107 351097402 /nfs/dbraw/zinc/09/74/02/351097402.db2.gz MXJJOUGIGPBMJG-GFCCVEGCSA-N 1 0 236.334 2.354 10 0 BEAERO CNc1ccc([C@@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616628185 351097485 /nfs/dbraw/zinc/09/74/85/351097485.db2.gz NVUVBFULRUYLLA-CYBMUJFWSA-N 1 0 247.386 2.257 10 0 BEAERO c1ccc2c(c1)nncc2[C@H]1CCC[NH2+]CC1 ZINC000616629130 351100141 /nfs/dbraw/zinc/10/01/41/351100141.db2.gz LQQSPJYPBPRQQT-NSHDSACASA-N 1 0 227.311 2.487 10 0 BEAERO CC[N@@H+]1CCC[C@@H](c2ccncn2)CC1 ZINC000616629277 351100239 /nfs/dbraw/zinc/10/02/39/351100239.db2.gz UTEZCNKXQKSNRN-LLVKDONJSA-N 1 0 205.305 2.066 10 0 BEAERO CC(C)(C)SCc1ccc[nH+]c1NN ZINC000052730786 351145208 /nfs/dbraw/zinc/14/52/08/351145208.db2.gz QDXSXKPUHHYBAZ-UHFFFAOYSA-N 1 0 211.334 2.399 10 0 BEAERO CCN1CCOC[C@H]1c1ccc(NC)cc1 ZINC000616642139 351152887 /nfs/dbraw/zinc/15/28/87/351152887.db2.gz WKSAXMVQNOCLPK-ZDUSSCGKSA-N 1 0 220.316 2.122 10 0 BEAERO [NH3+][C@H](c1cscn1)C1CC(F)(F)C1 ZINC000306846599 351158395 /nfs/dbraw/zinc/15/83/95/351158395.db2.gz KESOVWXFPMLISE-ZETCQYMHSA-N 1 0 204.245 2.188 10 0 BEAERO Cc1cc(-n2ccc(Br)n2)cc[nH+]1 ZINC000306848164 351158698 /nfs/dbraw/zinc/15/86/98/351158698.db2.gz MIPJRJQYTQCYAO-UHFFFAOYSA-N 1 0 238.088 2.338 10 0 BEAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccccc1N ZINC000616645356 351167466 /nfs/dbraw/zinc/16/74/66/351167466.db2.gz JXSMADZXLATDAA-CQSZACIVSA-N 1 0 234.343 2.441 10 0 BEAERO C[N@@H+]1CCCOC[C@@H]1c1ccccc1F ZINC000616645907 351169498 /nfs/dbraw/zinc/16/94/98/351169498.db2.gz FKVBAEYZZPFCAY-GFCCVEGCSA-N 1 0 209.264 2.219 10 0 BEAERO CC(C)(C)N1CCCOC[C@@H]1c1ncco1 ZINC000616645905 351169586 /nfs/dbraw/zinc/16/95/86/351169586.db2.gz MBUIRBHSXRYBDO-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cccnn2)C1 ZINC000616650106 351173293 /nfs/dbraw/zinc/17/32/93/351173293.db2.gz TUHGGGSUYZSBDB-LBPRGKRZSA-N 1 0 235.331 2.039 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1ccno1 ZINC000616655480 351193799 /nfs/dbraw/zinc/19/37/99/351193799.db2.gz DXXWHXCWAUHEDC-SNVBAGLBSA-N 1 0 224.304 2.237 10 0 BEAERO c1cnc2ccc([C@@H]3COCCC[NH2+]3)cc2c1 ZINC000616647895 351174980 /nfs/dbraw/zinc/17/49/80/351174980.db2.gz OPEZSFYJOWEFTD-AWEZNQCLSA-N 1 0 228.295 2.286 10 0 BEAERO c1cnc2c(c1)cccc2[C@@H]1COCCC[NH2+]1 ZINC000616648757 351177084 /nfs/dbraw/zinc/17/70/84/351177084.db2.gz WYGHKUMIYVJTIQ-ZDUSSCGKSA-N 1 0 228.295 2.286 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](c2ccccn2)C1 ZINC000616649909 351179750 /nfs/dbraw/zinc/17/97/50/351179750.db2.gz PCTAAQLMLQYFKF-ZDUSSCGKSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2cccnc2)C1 ZINC000616652755 351186157 /nfs/dbraw/zinc/18/61/57/351186157.db2.gz JOYNYOOFFOUINE-CYBMUJFWSA-N 1 0 220.316 2.253 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616652706 351186181 /nfs/dbraw/zinc/18/61/81/351186181.db2.gz IZICKCZBZGSTAP-OAHLLOKOSA-N 1 0 249.354 2.351 10 0 BEAERO c1cc2ccc([C@H]3C[NH2+]CCCO3)cc2cn1 ZINC000616652268 351190686 /nfs/dbraw/zinc/19/06/86/351190686.db2.gz UVJUTBSUORMVEA-CQSZACIVSA-N 1 0 228.295 2.286 10 0 BEAERO CCN1CC[NH2+]C[C@@H]1c1ccc2cccnc2c1 ZINC000616637309 351132233 /nfs/dbraw/zinc/13/22/33/351132233.db2.gz JOJWNMWDSKOJNN-OAHLLOKOSA-N 1 0 241.338 2.201 10 0 BEAERO C[C@@]1(C(=O)Cc2cccs2)CCC[NH2+]C1 ZINC000226339229 351134018 /nfs/dbraw/zinc/13/40/18/351134018.db2.gz GOKHFGCXWGDMSE-GFCCVEGCSA-N 1 0 223.341 2.249 10 0 BEAERO CCN1CCOC[C@@H]1c1cccc(OC)c1 ZINC000616637715 351135937 /nfs/dbraw/zinc/13/59/37/351135937.db2.gz PIBWYERVLZJNSI-CYBMUJFWSA-N 1 0 221.300 2.088 10 0 BEAERO CNc1cccc([C@H]2C[NH2+]CCN2C(C)C)c1 ZINC000616637899 351136624 /nfs/dbraw/zinc/13/66/24/351136624.db2.gz SGUCJSLOHMKDPF-CQSZACIVSA-N 1 0 233.359 2.083 10 0 BEAERO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1cccc(N)c1 ZINC000616637906 351136648 /nfs/dbraw/zinc/13/66/48/351136648.db2.gz RMFSZKSVFFJYAI-CYBMUJFWSA-N 1 0 234.343 2.441 10 0 BEAERO CNc1ccc([C@H]2CNCC[N@@H+]2C(C)(C)C)cc1 ZINC000616638334 351139125 /nfs/dbraw/zinc/13/91/25/351139125.db2.gz VVJUAIXGCFAPFF-CQSZACIVSA-N 1 0 247.386 2.473 10 0 BEAERO COc1ccc(C[C@H](C)[NH+](C)C)cc1OC ZINC000169322878 187475125 /nfs/dbraw/zinc/47/51/25/187475125.db2.gz KRNRFVKFPWEACF-JTQLQIEISA-N 1 0 223.316 2.196 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2cccc(N)c2)CC1 ZINC000616684142 351255035 /nfs/dbraw/zinc/25/50/35/351255035.db2.gz DPZJAYYWOIAEID-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO CC(=O)Nc1ccc([C@@H]2CC[N@H+](C)CCO2)cc1 ZINC000616686954 351257559 /nfs/dbraw/zinc/25/75/59/351257559.db2.gz NABNUPOTVIIYFH-AWEZNQCLSA-N 1 0 248.326 2.038 10 0 BEAERO CC(C)[N@@H+]1CCO[C@H](c2cccc(CO)c2)CC1 ZINC000616687014 351258510 /nfs/dbraw/zinc/25/85/10/351258510.db2.gz QAAGNFYLAVAAPK-HNNXBMFYSA-N 1 0 249.354 2.351 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1ccncn1 ZINC000616656679 351196654 /nfs/dbraw/zinc/19/66/54/351196654.db2.gz YLYGYDXYTWSOKD-GFCCVEGCSA-N 1 0 235.331 2.039 10 0 BEAERO C[N@@H+]1CCOCC[C@@H]1c1cnnc2ccccc21 ZINC000616655650 351200513 /nfs/dbraw/zinc/20/05/13/351200513.db2.gz JQUVIMXRSHZDNV-CQSZACIVSA-N 1 0 243.310 2.023 10 0 BEAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cnco1 ZINC000616656118 351201775 /nfs/dbraw/zinc/20/17/75/351201775.db2.gz JVPHICCXSFNWRH-JTQLQIEISA-N 1 0 224.304 2.237 10 0 BEAERO C[N@@H+]1CCOCC[C@H]1c1ccc2ccnnc2c1 ZINC000616659420 351207069 /nfs/dbraw/zinc/20/70/69/351207069.db2.gz RUFZHBWXMVDLLU-AWEZNQCLSA-N 1 0 243.310 2.023 10 0 BEAERO Clc1ccc(CO[C@H]2CC[NH2+]C2)s1 ZINC000051782471 180580653 /nfs/dbraw/zinc/58/06/53/180580653.db2.gz ONKFPKGVPPSJSB-ZETCQYMHSA-N 1 0 217.721 2.280 10 0 BEAERO CC[N@@H+]1CCOC[C@@H](c2ccc(OC)cc2)C1 ZINC000616662274 351217440 /nfs/dbraw/zinc/21/74/40/351217440.db2.gz ZXDILYFMRRQLAE-ZDUSSCGKSA-N 1 0 235.327 2.131 10 0 BEAERO CC(C)(C)[N@@H+]1CCO[C@@H](Nc2ccccn2)CC1 ZINC000616666325 351225715 /nfs/dbraw/zinc/22/57/15/351225715.db2.gz OHKSCVHKMYMVTA-CYBMUJFWSA-N 1 0 249.358 2.340 10 0 BEAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cnoc1 ZINC000616669104 351228004 /nfs/dbraw/zinc/22/80/04/351228004.db2.gz OFUBTVWAURUWGM-CQSZACIVSA-N 1 0 243.310 2.127 10 0 BEAERO [NH3+][C@H]1CCCCC[C@@H]1Nc1nccs1 ZINC000063214362 351280897 /nfs/dbraw/zinc/28/08/97/351280897.db2.gz AWOCUHPCMQGDJT-IUCAKERBSA-N 1 0 211.334 2.215 10 0 BEAERO [NH3+][C@@H]1CCCCC[C@@H]1Nc1nccs1 ZINC000063214364 351281041 /nfs/dbraw/zinc/28/10/41/351281041.db2.gz AWOCUHPCMQGDJT-BDAKNGLRSA-N 1 0 211.334 2.215 10 0 BEAERO CC[C@@H]([NH3+])[C@H](C)Nc1ccc(Cl)cn1 ZINC000306883104 351287212 /nfs/dbraw/zinc/28/72/12/351287212.db2.gz OLWWPAFHILSXKG-IONNQARKSA-N 1 0 213.712 2.273 10 0 BEAERO CC[C@H](Nc1ncccc1Cl)[C@H](C)[NH3+] ZINC000306884320 351289954 /nfs/dbraw/zinc/28/99/54/351289954.db2.gz QAZUPGRZCRJVIB-CBAPKCEASA-N 1 0 213.712 2.273 10 0 BEAERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC=O ZINC000306886154 351293217 /nfs/dbraw/zinc/29/32/17/351293217.db2.gz SECUSNFUYIWMDL-CQSZACIVSA-N 1 0 246.354 2.033 10 0 BEAERO [NH3+]Cc1cc(F)c(F)c(OC(F)F)c1 ZINC000306901526 351316363 /nfs/dbraw/zinc/31/63/63/351316363.db2.gz OHWSNFUJOVAOHI-UHFFFAOYSA-N 1 0 209.142 2.025 10 0 BEAERO CC[C@H]([NH3+])c1occc1Br ZINC000068982330 351319856 /nfs/dbraw/zinc/31/98/56/351319856.db2.gz PWXYFMVQLDWKLW-LURJTMIESA-N 1 0 204.067 2.452 10 0 BEAERO C[C@H]1N(Cc2ccccc2)CC[C@]12[NH2+]CCS2 ZINC000306987760 351404451 /nfs/dbraw/zinc/40/44/51/351404451.db2.gz QMUMAIYFLCORPO-TZMCWYRMSA-N 1 0 248.395 2.314 10 0 BEAERO [NH3+]C1CCN(c2ccsc2Cl)CC1 ZINC000306948820 351374542 /nfs/dbraw/zinc/37/45/42/351374542.db2.gz AGWRJZZJLRIWHU-UHFFFAOYSA-N 1 0 216.737 2.329 10 0 BEAERO Clc1cccc(C[NH2+]Cc2cncnc2)c1 ZINC000054768254 180589950 /nfs/dbraw/zinc/58/99/50/180589950.db2.gz YVFQSWRJYUQMCT-UHFFFAOYSA-N 1 0 233.702 2.420 10 0 BEAERO COc1ncc([C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000306961130 351383906 /nfs/dbraw/zinc/38/39/06/351383906.db2.gz ACCWJLHNQBZATB-SFYZADRCSA-N 1 0 212.318 2.137 10 0 BEAERO CC1(C)C[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306970440 351387822 /nfs/dbraw/zinc/38/78/22/351387822.db2.gz QTLLKYFQUFCWTL-LLVKDONJSA-N 1 0 217.316 2.099 10 0 BEAERO CN(c1cc(N)[nH+]cc1Br)C1CC1 ZINC000306971498 351393493 /nfs/dbraw/zinc/39/34/93/351393493.db2.gz KEIDANOBILCZRU-UHFFFAOYSA-N 1 0 242.120 2.025 10 0 BEAERO C[C@](F)(c1ccns1)[C@@H]1CCC[NH2+]1 ZINC000306983020 351406319 /nfs/dbraw/zinc/40/63/19/351406319.db2.gz KBTWKOKYDJOFTA-IONNQARKSA-N 1 0 200.282 2.080 10 0 BEAERO [NH3+][C@]1(Cc2sccc2Cl)CCOC1 ZINC000306926603 351344273 /nfs/dbraw/zinc/34/42/73/351344273.db2.gz QMSVQKMBYNZWQR-VIFPVBQESA-N 1 0 217.721 2.062 10 0 BEAERO O=C(c1ccc2c(c1)CCC2)C1CC[NH2+]CC1 ZINC000034939636 351355536 /nfs/dbraw/zinc/35/55/36/351355536.db2.gz LBZSISFMKSNAGB-UHFFFAOYSA-N 1 0 229.323 2.358 10 0 BEAERO Cn1cc([C@@H]([NH3+])c2ccccc2Cl)cn1 ZINC000034957685 351363031 /nfs/dbraw/zinc/36/30/31/351363031.db2.gz FQGMCLKNEMFIME-LLVKDONJSA-N 1 0 221.691 2.122 10 0 BEAERO Cc1cccc(C2CC([NH2+][C@H](C)CO)C2)c1 ZINC000036846552 358463701 /nfs/dbraw/zinc/46/37/01/358463701.db2.gz QUVNWNDCIZQVAZ-LMWSTFAQSA-N 1 0 219.328 2.211 10 0 BEAERO C[C@@H](CO)[NH2+]C1CC(c2ccccc2F)C1 ZINC000036846534 358463587 /nfs/dbraw/zinc/46/35/87/358463587.db2.gz VQQWETAHFJIRDT-WHXUTIOJSA-N 1 0 223.291 2.042 10 0 BEAERO C[C@H](CO)[NH2+]C1CC(c2ccccc2F)C1 ZINC000036846536 358463780 /nfs/dbraw/zinc/46/37/80/358463780.db2.gz VQQWETAHFJIRDT-KPPDAEKUSA-N 1 0 223.291 2.042 10 0 BEAERO [NH3+]Cc1cc(Cl)cc(OC(F)F)c1 ZINC000307029576 351430744 /nfs/dbraw/zinc/43/07/44/351430744.db2.gz MLHHHQUBKBEUJT-UHFFFAOYSA-N 1 0 207.607 2.400 10 0 BEAERO [NH3+][C@H]1C[C@H]1c1cccc(F)c1Br ZINC000307067257 351462565 /nfs/dbraw/zinc/46/25/65/351462565.db2.gz KPMDBUXAPBYLNI-XPUUQOCRSA-N 1 0 230.080 2.403 10 0 BEAERO F[C@H](c1cscn1)[C@@H]1CCC[NH2+]C1 ZINC000307144078 351502291 /nfs/dbraw/zinc/50/22/91/351502291.db2.gz LORRUEHAULHFLL-APPZFPTMSA-N 1 0 200.282 2.153 10 0 BEAERO C[NH2+]C1(C)CCN(C/C(C)=C/Cl)CC1 ZINC000232008840 351506105 /nfs/dbraw/zinc/50/61/05/351506105.db2.gz RLFNAUAOSXPKRP-CSKARUKUSA-N 1 0 216.756 2.203 10 0 BEAERO C[C@]1(N)C[NH2+]C[C@@H]1c1cccc(CC2CCC2)c1 ZINC000725268222 538100386 /nfs/dbraw/zinc/10/03/86/538100386.db2.gz PXVMCDZZNAUMHM-CVEARBPZSA-N 1 0 244.382 2.433 10 0 BEAERO C[C@@H]1CSC[C@@]12[NH2+][C@H](C)CCS2 ZINC000307108419 351483036 /nfs/dbraw/zinc/48/30/36/351483036.db2.gz JFVIMAHFOPSVBU-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO C[C@H]1CSC[C@@]12[NH2+][C@H](C)CCS2 ZINC000307108426 351483250 /nfs/dbraw/zinc/48/32/50/351483250.db2.gz JFVIMAHFOPSVBU-YIZRAAEISA-N 1 0 203.376 2.181 10 0 BEAERO C/C(=C\Cl)CN1C[C@H](C)[NH2+]CC1(C)C ZINC000232012608 351529624 /nfs/dbraw/zinc/52/96/24/351529624.db2.gz LZYIKVQPFJZASH-CYNRKNSPSA-N 1 0 216.756 2.201 10 0 BEAERO C[C@]1([C@H]2[NH2+]CCCS2)CCCS1 ZINC000307167326 351537101 /nfs/dbraw/zinc/53/71/01/351537101.db2.gz RGHHWPOIJVGIBE-DTWKUNHWSA-N 1 0 203.376 2.325 10 0 BEAERO [NH3+][C@H](c1cnsc1)[C@H]1CCCCS1 ZINC000404592660 351593505 /nfs/dbraw/zinc/59/35/05/351593505.db2.gz MIUJBLYJQKYFNB-RKDXNWHRSA-N 1 0 214.359 2.429 10 0 BEAERO C[C@@]1([C@H]([NH3+])c2cnsc2)CCCS1 ZINC000404592643 351593730 /nfs/dbraw/zinc/59/37/30/351593730.db2.gz MHOIQYVSAHGBOQ-BDAKNGLRSA-N 1 0 214.359 2.429 10 0 BEAERO Cn1c(CC[NH2+]C2CC2)nc2cc(F)ccc21 ZINC000037599686 180617551 /nfs/dbraw/zinc/61/75/51/180617551.db2.gz GELXLRPFPKAXNW-UHFFFAOYSA-N 1 0 233.290 2.007 10 0 BEAERO NC(=[NH2+])Nc1cc(Cl)c(F)c(Cl)c1 ZINC000232053493 351605868 /nfs/dbraw/zinc/60/58/68/351605868.db2.gz MPEDTZQDEIGYJE-UHFFFAOYSA-N 1 0 222.050 2.438 10 0 BEAERO Cc1cc(C)c(C)c2c1[C@@H](CC[NH3+])CO2 ZINC000606304150 351561203 /nfs/dbraw/zinc/56/12/03/351561203.db2.gz QJCQDZJTBBPWKE-NSHDSACASA-N 1 0 205.301 2.437 10 0 BEAERO [NH3+]C[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000606303988 351561983 /nfs/dbraw/zinc/56/19/83/351561983.db2.gz KXKATMRQCXEKLL-RXMQYKEDSA-N 1 0 218.083 2.428 10 0 BEAERO CC[C@@H](CC(=O)N1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000637798441 351626464 /nfs/dbraw/zinc/62/64/64/351626464.db2.gz YBSOTPKNMXYGNF-RYUDHWBXSA-N 1 0 240.391 2.399 10 0 BEAERO Cc1cc2c(cc1Br)OCC[NH2+]C2 ZINC000307253248 351780257 /nfs/dbraw/zinc/78/02/57/351780257.db2.gz UXHAAXGSCLEKSG-UHFFFAOYSA-N 1 0 242.116 2.240 10 0 BEAERO C[C@H]1CCC[C@@]1(C[NH3+])Cc1nccs1 ZINC000307252848 351782600 /nfs/dbraw/zinc/78/26/00/351782600.db2.gz TYUQQCUKIVDZIE-ONGXEEELSA-N 1 0 210.346 2.451 10 0 BEAERO CC[NH2+][C@H](C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000637904267 351774094 /nfs/dbraw/zinc/77/40/94/351774094.db2.gz IAIDEWCZVWDXDV-YPMHNXCESA-N 1 0 234.343 2.252 10 0 BEAERO C([NH2+][C@H]1COC[C@H]1C1CC1)C1CCCC1 ZINC000725269190 538101329 /nfs/dbraw/zinc/10/13/29/538101329.db2.gz FINKIIZPLAKUDT-STQMWFEESA-N 1 0 209.333 2.191 10 0 BEAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)C1CCCC1 ZINC000637991060 351864929 /nfs/dbraw/zinc/86/49/29/351864929.db2.gz MGDFICXXWRLHAD-AAEUAGOBSA-N 1 0 240.391 2.445 10 0 BEAERO CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C1CCCC1 ZINC000637991063 351865386 /nfs/dbraw/zinc/86/53/86/351865386.db2.gz MGDFICXXWRLHAD-WCQYABFASA-N 1 0 240.391 2.445 10 0 BEAERO C[C@@]1(O)CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000307302182 351928670 /nfs/dbraw/zinc/92/86/70/351928670.db2.gz VCGYUPQWGAIRLI-WDEREUQCSA-N 1 0 211.330 2.141 10 0 BEAERO Cc1cc(Br)cnc1C(C)(C)C[NH3+] ZINC000307307080 351931963 /nfs/dbraw/zinc/93/19/63/351931963.db2.gz UPJLXFUHWFDRLW-UHFFFAOYSA-N 1 0 243.148 2.389 10 0 BEAERO C=Cn1cc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000282301670 187517875 /nfs/dbraw/zinc/51/78/75/187517875.db2.gz RUHAYQKTMVKPJF-RYUDHWBXSA-N 1 0 249.358 2.277 10 0 BEAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CCCC1(C)C ZINC000396724957 323656122 /nfs/dbraw/zinc/65/61/22/323656122.db2.gz VKNPJJZXFFWUFY-SRVKXCTJSA-N 1 0 210.365 2.295 10 0 BEAERO COc1cc(N[C@H](C)C[NH3+])ccc1Cl ZINC000232199716 352118514 /nfs/dbraw/zinc/11/85/14/352118514.db2.gz LPEFRBWGTUVXMH-SSDOTTSWSA-N 1 0 214.696 2.108 10 0 BEAERO COc1cc([C@@H]([NH3+])[C@@H]2CC2(C)C)sn1 ZINC000307339619 352081319 /nfs/dbraw/zinc/08/13/19/352081319.db2.gz SAJFIJSIWSJYMQ-RCOVLWMOSA-N 1 0 212.318 2.198 10 0 BEAERO CC[C@H](CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)C(C)(C)C ZINC000638236623 352088851 /nfs/dbraw/zinc/08/88/51/352088851.db2.gz ZIEDBPVCJJFSCN-QJPTWQEYSA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@@H]([NH3+])C(=O)c1cc(F)c(F)cc1F ZINC000307341817 352091199 /nfs/dbraw/zinc/09/11/99/352091199.db2.gz VHCLGEUMKGMAHO-SECBINFHSA-N 1 0 217.190 2.024 10 0 BEAERO CC[C@H](CC(=O)N1C[C@H](C)[C@H]([NH3+])C1)C(C)(C)C ZINC000638333902 352152418 /nfs/dbraw/zinc/15/24/18/352152418.db2.gz VXIREEUVPYFAFX-QJPTWQEYSA-N 1 0 240.391 2.254 10 0 BEAERO C(C[C@@H]1CCCO1)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638348935 352165555 /nfs/dbraw/zinc/16/55/55/352165555.db2.gz DURVHTSKHGENTJ-RNJOBUHISA-N 1 0 209.333 2.191 10 0 BEAERO CO[C@@H](C[NH2+]CC[C@@H]1CCCO1)C1CCCC1 ZINC000638349399 352166744 /nfs/dbraw/zinc/16/67/44/352166744.db2.gz KYTPZFVOFCMIGU-KBPBESRZSA-N 1 0 241.375 2.350 10 0 BEAERO Cc1cccc(N2CC[C@H]([NH3+])C2)c1Cl ZINC000300915697 363119968 /nfs/dbraw/zinc/11/99/68/363119968.db2.gz SPDUQLGMTQNCDE-VIFPVBQESA-N 1 0 210.708 2.186 10 0 BEAERO C[C@H]1C[C@H]([N@H+](C)CC(N)=S)C[C@@H](C)C1 ZINC000252119829 363123568 /nfs/dbraw/zinc/12/35/68/363123568.db2.gz KRKBMCJHOAKBRG-MYJAWHEDSA-N 1 0 214.378 2.029 10 0 BEAERO CCC(C)(C)NC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000725270280 538102675 /nfs/dbraw/zinc/10/26/75/538102675.db2.gz ZJROBSKFQUMWKC-LLVKDONJSA-N 1 0 241.379 2.006 10 0 BEAERO CC[N@H+](C)Cc1cc(N)ccc1Br ZINC000149893316 538102873 /nfs/dbraw/zinc/10/28/73/538102873.db2.gz XZYFRTMAJKVPGY-UHFFFAOYSA-N 1 0 243.148 2.483 10 0 BEAERO COc1cc2[nH+]ccc(N)c2cc1Cl ZINC000232205084 352335060 /nfs/dbraw/zinc/33/50/60/352335060.db2.gz FVFMDIKYLFKCGK-UHFFFAOYSA-N 1 0 208.648 2.479 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000252865180 538103322 /nfs/dbraw/zinc/10/33/22/538103322.db2.gz LUOCZHLPBOKNIV-REWJHTLYSA-N 1 0 241.375 2.227 10 0 BEAERO CCOC(=O)C[C@H]([NH3+])C1CCC(F)(F)CC1 ZINC000725272231 538103725 /nfs/dbraw/zinc/10/37/25/538103725.db2.gz IZDPVDFWEFOMOC-VIFPVBQESA-N 1 0 235.274 2.092 10 0 BEAERO CCCc1ccc([C@H]2CC[NH2+]C[C@H]2N)cc1 ZINC000725272760 538104066 /nfs/dbraw/zinc/10/40/66/538104066.db2.gz UXVXUJLMGUSDCS-ZIAGYGMSSA-N 1 0 218.344 2.043 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@@]2(C)C[C@@H]2F)sn1 ZINC000307436300 352595999 /nfs/dbraw/zinc/59/59/99/352595999.db2.gz SWOMZABUAJWAIV-CIUDSAMLSA-N 1 0 200.282 2.199 10 0 BEAERO N[C@H](c1cnsc1)c1ccoc1Cl ZINC000404865348 352601199 /nfs/dbraw/zinc/60/11/99/352601199.db2.gz VLIHMIOJHVVPIH-SSDOTTSWSA-N 1 0 214.677 2.438 10 0 BEAERO C[C@H]1CN(C(=[NH2+])NCc2ccccc2)C[C@H]1C ZINC000307450669 352602768 /nfs/dbraw/zinc/60/27/68/352602768.db2.gz BWURDOIDLFNQBQ-TXEJJXNPSA-N 1 0 231.343 2.299 10 0 BEAERO S=C(C[NH2+]C1CCCCC1)N1CCCC1 ZINC000013611619 187753529 /nfs/dbraw/zinc/75/35/29/187753529.db2.gz XDPBHCNVRGRZTF-UHFFFAOYSA-N 1 0 226.389 2.332 10 0 BEAERO CCS[C@H]1CCC[C@@H]1[NH+]1CCC(=O)CC1 ZINC000300391815 352562275 /nfs/dbraw/zinc/56/22/75/352562275.db2.gz UEDMDHHFDWIXRS-RYUDHWBXSA-N 1 0 227.373 2.326 10 0 BEAERO CC1(C)[C@@H]([NH3+])[C@H]1c1ncc(Cl)s1 ZINC000300763942 352573909 /nfs/dbraw/zinc/57/39/09/352573909.db2.gz NQOKDMCPXVUCSY-WDSKDSINSA-N 1 0 202.710 2.247 10 0 BEAERO CC(C)Cc1nnc([C@H](C[NH3+])Cc2ccco2)o1 ZINC000020222447 187763050 /nfs/dbraw/zinc/76/30/50/187763050.db2.gz HXGDYPAVGWAXFV-JTQLQIEISA-N 1 0 249.314 2.146 10 0 BEAERO CCn1c[nH+]c([C@H]2CCCSC2)c1N ZINC000307540195 352644071 /nfs/dbraw/zinc/64/40/71/352644071.db2.gz VRLLVFYRLZLEPT-QMMMGPOBSA-N 1 0 211.334 2.096 10 0 BEAERO C[C@@H](NC1=[NH+][C@@H](C)CCS1)C(F)F ZINC000307540695 352644224 /nfs/dbraw/zinc/64/42/24/352644224.db2.gz AFEPBVUNJKERBY-NTSWFWBYSA-N 1 0 208.277 2.111 10 0 BEAERO [NH3+][C@@H]1CC[C@@H]1Cc1ncccc1Br ZINC000307539582 352644364 /nfs/dbraw/zinc/64/43/64/352644364.db2.gz QMLCSUXCFDAQOD-VXNVDRBHSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@@H]1CSC[C@@H]1NC(=[NH2+])C(C)(C)C ZINC000307542475 352645809 /nfs/dbraw/zinc/64/58/09/352645809.db2.gz QCAFXXKMGIYEOY-SFYZADRCSA-N 1 0 200.351 2.351 10 0 BEAERO CC(C)(CO)S[C@@H]1CCCCC[C@H]1[NH3+] ZINC000307547666 352646395 /nfs/dbraw/zinc/64/63/95/352646395.db2.gz UEWFHUAMTWOZNE-NXEZZACHSA-N 1 0 217.378 2.151 10 0 BEAERO Cc1cnc(-c2ncc(C[NH3+])s2)s1 ZINC000307564918 352652537 /nfs/dbraw/zinc/65/25/37/352652537.db2.gz MHKNGFGPIYDZOM-UHFFFAOYSA-N 1 0 211.315 2.034 10 0 BEAERO C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000036786262 187768193 /nfs/dbraw/zinc/76/81/93/187768193.db2.gz XWIZHSROOJTVSS-JTQLQIEISA-N 1 0 247.342 2.408 10 0 BEAERO CC(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000037264812 187768504 /nfs/dbraw/zinc/76/85/04/187768504.db2.gz WDSWQKCRJJAMIJ-VXGBXAGGSA-N 1 0 240.391 2.458 10 0 BEAERO Nc1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000037191763 187768981 /nfs/dbraw/zinc/76/89/81/187768981.db2.gz YGBKBGOKZOTNDR-UHFFFAOYSA-N 1 0 237.372 2.242 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H](O)c1c(F)cccc1Cl ZINC000071535718 187769715 /nfs/dbraw/zinc/76/97/15/187769715.db2.gz FERPJHIQYCTMKT-QWRGUYRKSA-N 1 0 231.698 2.496 10 0 BEAERO CC[C@]1(C)C[NH2+][C@H]1c1cnc(OC)s1 ZINC000307574763 352658368 /nfs/dbraw/zinc/65/83/68/352658368.db2.gz HPWARQGLGDEJMH-WCBMZHEXSA-N 1 0 212.318 2.212 10 0 BEAERO COc1nc([C@H]2C[C@@H](C)CC[NH2+]2)cs1 ZINC000307608746 352667284 /nfs/dbraw/zinc/66/72/84/352667284.db2.gz DDWWXGGLUSATCL-JGVFFNPUSA-N 1 0 212.318 2.212 10 0 BEAERO C[C@H]1[NH2+]CCC[C@]1(F)c1ccns1 ZINC000307606924 352668262 /nfs/dbraw/zinc/66/82/62/352668262.db2.gz BUCNUQHUYCGTSE-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO Cc1ccc(OCCn2cccn2)c([C@H](C)[NH3+])c1 ZINC000049313778 187780023 /nfs/dbraw/zinc/78/00/23/187780023.db2.gz UZDNWTNAMCPNPG-LBPRGKRZSA-N 1 0 245.326 2.290 10 0 BEAERO C[C@@]1(CC[NH3+])CC[C@@H](c2cscn2)O1 ZINC000307501653 352629698 /nfs/dbraw/zinc/62/96/98/352629698.db2.gz NDQVZOVGONZJJY-UWVGGRQHSA-N 1 0 212.318 2.102 10 0 BEAERO CC1(C)CN(C[C@H]([NH3+])c2cccs2)C1 ZINC000307518643 352633059 /nfs/dbraw/zinc/63/30/59/352633059.db2.gz LGYNLKSJWKIZCM-VIFPVBQESA-N 1 0 210.346 2.090 10 0 BEAERO CC[C@@H]1CS[C@]2(CSC[C@H]2C)[NH2+]1 ZINC000307525926 352635103 /nfs/dbraw/zinc/63/51/03/352635103.db2.gz HEYJKZZDZKZWKA-HLTSFMKQSA-N 1 0 203.376 2.181 10 0 BEAERO Cc1ccnc([C@@]2(C[NH3+])CCCS2)c1 ZINC000307521543 352635828 /nfs/dbraw/zinc/63/58/28/352635828.db2.gz VWXFHVNGKRYGPC-NSHDSACASA-N 1 0 208.330 2.071 10 0 BEAERO Cc1cc(O)cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000638757123 352688344 /nfs/dbraw/zinc/68/83/44/352688344.db2.gz OKOAWIODJKNRJW-CQSZACIVSA-N 1 0 248.326 2.171 10 0 BEAERO C[C@@H]1CSC[C@]12[NH2+]C(C)(C)CS2 ZINC000307621311 352691757 /nfs/dbraw/zinc/69/17/57/352691757.db2.gz BVLVBJUWQANWJX-VXNVDRBHSA-N 1 0 203.376 2.181 10 0 BEAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)c1cscn1 ZINC000307624846 352702681 /nfs/dbraw/zinc/70/26/81/352702681.db2.gz IXUNESRJOPJCSY-DTWKUNHWSA-N 1 0 224.329 2.233 10 0 BEAERO Cc1cc(C[C@@H]2CSC[C@H]2[NH3+])cs1 ZINC000307616574 352675253 /nfs/dbraw/zinc/67/52/53/352675253.db2.gz QMEVHCNYRLIFEM-NXEZZACHSA-N 1 0 213.371 2.289 10 0 BEAERO [NH3+]C[C@H]1CC[C@@H](c2ccc(Br)o2)O1 ZINC000307638904 352725184 /nfs/dbraw/zinc/72/51/84/352725184.db2.gz YYECUGSGFYKJKZ-RQJHMYQMSA-N 1 0 246.104 2.221 10 0 BEAERO CC(C)=CC[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000190720704 187825065 /nfs/dbraw/zinc/82/50/65/187825065.db2.gz PNQAVAICUWTCJC-CQSZACIVSA-N 1 0 219.328 2.450 10 0 BEAERO CC(C)(C)OC(=O)c1cccc2c1C[NH2+]C2 ZINC000253188656 538105275 /nfs/dbraw/zinc/10/52/75/538105275.db2.gz XFSLQFZZKKHFJF-UHFFFAOYSA-N 1 0 219.284 2.245 10 0 BEAERO CN(CC(C)(C)C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090509 1172153852 /nfs/dbraw/zinc/15/38/52/1172153852.db2.gz OATFSOGOQZCAGJ-QWRGUYRKSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000318754946 538105715 /nfs/dbraw/zinc/10/57/15/538105715.db2.gz BIACXENVLYFGNV-VIFPVBQESA-N 1 0 239.281 2.420 10 0 BEAERO C[C@H]1CC[C@@H](OCc2ccccc2)C[NH2+]1 ZINC000307687273 352920198 /nfs/dbraw/zinc/92/01/98/352920198.db2.gz DEBGJUYVFNWVSW-WCQYABFASA-N 1 0 205.301 2.344 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC12CC2 ZINC000638796714 352900342 /nfs/dbraw/zinc/90/03/42/352900342.db2.gz VUGBOSTVWHMKNY-RYUDHWBXSA-N 1 0 238.375 2.056 10 0 BEAERO CCCCCN(C)C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055126521 168684995 /nfs/dbraw/zinc/68/49/95/168684995.db2.gz CWRFGIFMVKABNP-XQQFMLRXSA-N 1 0 240.391 2.399 10 0 BEAERO CC[C@H](OC)[C@@H]1[NH2+]CCc2sccc21 ZINC000306592272 353027739 /nfs/dbraw/zinc/02/77/39/353027739.db2.gz ZLKNDBSXPACHHP-GXSJLCMTSA-N 1 0 211.330 2.360 10 0 BEAERO CC1(C)CCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000306688243 353034866 /nfs/dbraw/zinc/03/48/66/353034866.db2.gz MQFHKKAMIOOGMA-UHFFFAOYSA-N 1 0 231.343 2.443 10 0 BEAERO c1ccc2c(c1)C[C@H](C[NH+]1CCC1)S2 ZINC000306249814 352999368 /nfs/dbraw/zinc/99/93/68/352999368.db2.gz RDYTXTBEVKLURL-LLVKDONJSA-N 1 0 205.326 2.409 10 0 BEAERO C[C@H]1CN(C(=O)CCC2CCCC2)C[C@H]1C[NH3+] ZINC000638889275 353057955 /nfs/dbraw/zinc/05/79/55/353057955.db2.gz ZYKHBAYUDYNVII-WCQYABFASA-N 1 0 238.375 2.010 10 0 BEAERO C[C@H]([NH3+])C(=O)C[C@@H]1CCCCC1(F)F ZINC000307396092 353073539 /nfs/dbraw/zinc/07/35/39/353073539.db2.gz OHIHNRWXTILPSH-YUMQZZPRSA-N 1 0 205.248 2.118 10 0 BEAERO Cc1cocc1C(=O)[C@@H]1CC[NH2+]C[C@@H]1C ZINC000306811445 353040355 /nfs/dbraw/zinc/04/03/55/353040355.db2.gz WVZHWNSEFVRYDU-WCBMZHEXSA-N 1 0 207.273 2.016 10 0 BEAERO COC1(C[NH2+]CC[C@@H]2CCCO2)CCCCC1 ZINC000319391501 538107245 /nfs/dbraw/zinc/10/72/45/538107245.db2.gz DPNZKTBMEZRTGP-ZDUSSCGKSA-N 1 0 241.375 2.494 10 0 BEAERO Cc1ccc(F)c([C@H](N)CC[NH3+])c1Cl ZINC000307087830 353054035 /nfs/dbraw/zinc/05/40/35/353054035.db2.gz LSEXUWQPQPILKW-MRVPVSSYSA-N 1 0 216.687 2.136 10 0 BEAERO C[C@@](F)(c1cnsc1)[C@H]1CCC[NH2+]1 ZINC000405106157 353106862 /nfs/dbraw/zinc/10/68/62/353106862.db2.gz XMYZOSRTXKTRQH-RKDXNWHRSA-N 1 0 200.282 2.080 10 0 BEAERO C[C@](F)(c1cnsc1)[C@H]1CCC[NH2+]1 ZINC000405106153 353106966 /nfs/dbraw/zinc/10/69/66/353106966.db2.gz XMYZOSRTXKTRQH-BDAKNGLRSA-N 1 0 200.282 2.080 10 0 BEAERO CC[C@]1(C(=O)c2cc(C)ns2)CCC[NH2+]1 ZINC000307718046 353108709 /nfs/dbraw/zinc/10/87/09/353108709.db2.gz OGCZIIJGLFZALV-LLVKDONJSA-N 1 0 224.329 2.166 10 0 BEAERO O[C@H]1C[N@H+](Cc2ccccc2)CC12CCCC2 ZINC000307720609 353110208 /nfs/dbraw/zinc/11/02/08/353110208.db2.gz PDWOFRYRKMPEFZ-AWEZNQCLSA-N 1 0 231.339 2.424 10 0 BEAERO CC(C)([NH3+])CN1CCCC[C@H]1c1nccs1 ZINC000335852132 535198550 /nfs/dbraw/zinc/19/85/50/535198550.db2.gz YJYCPMDQSVRUQL-JTQLQIEISA-N 1 0 239.388 2.407 10 0 BEAERO CC(C)n1ccc([C@H]2C[NH2+]CC2(C)C)n1 ZINC000536951634 323956431 /nfs/dbraw/zinc/95/64/31/323956431.db2.gz UBNRPZBDQBDFKA-SNVBAGLBSA-N 1 0 207.321 2.177 10 0 BEAERO CC(C)CNc1c(N)c[nH+]cc1Br ZINC000232599797 353140864 /nfs/dbraw/zinc/14/08/64/353140864.db2.gz CSPAIZVJQPJNRN-UHFFFAOYSA-N 1 0 244.136 2.494 10 0 BEAERO Clc1cccc(SCC2=[NH+]CCN2)c1 ZINC000307731516 353120647 /nfs/dbraw/zinc/12/06/47/353120647.db2.gz NDDWAULNWAKHSB-UHFFFAOYSA-N 1 0 226.732 2.434 10 0 BEAERO CCCCCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000124930767 168707466 /nfs/dbraw/zinc/70/74/66/168707466.db2.gz IBXBALUHYMIFCZ-GFCCVEGCSA-N 1 0 243.395 2.206 10 0 BEAERO CC(C)[C@H](O)C[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000374087139 188076385 /nfs/dbraw/zinc/07/63/85/188076385.db2.gz APKXHIZFRVBTKN-JHJVBQTASA-N 1 0 211.349 2.268 10 0 BEAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCC(C)(C)C ZINC000313465889 188081462 /nfs/dbraw/zinc/08/14/62/188081462.db2.gz CJUKCNRCXWHTML-VXGBXAGGSA-N 1 0 240.391 2.317 10 0 BEAERO [NH3+]Cc1cnnn1-c1cccc(Cl)c1Cl ZINC000075422684 538108893 /nfs/dbraw/zinc/10/88/93/538108893.db2.gz UQEDSWDPRBKZIN-UHFFFAOYSA-N 1 0 243.097 2.033 10 0 BEAERO CC[C@@H]1CCCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000124887141 353170143 /nfs/dbraw/zinc/17/01/43/353170143.db2.gz GIXREZWGTOHKIR-CHWSQXEVSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1cc(C)cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000281860652 188095536 /nfs/dbraw/zinc/09/55/36/188095536.db2.gz ALEAPZYULQRFCB-GXTWGEPZSA-N 1 0 246.354 2.060 10 0 BEAERO C[C@@H]1CC(C[NH2+]Cc2cncs2)C[C@@H](C)O1 ZINC000282355660 188095878 /nfs/dbraw/zinc/09/58/78/188095878.db2.gz VUQHZEZBZODLOU-NXEZZACHSA-N 1 0 240.372 2.436 10 0 BEAERO CC(C)(C)[C@H](CO)[NH2+]C[C@H]1Cc2ccccc21 ZINC000287857424 188095898 /nfs/dbraw/zinc/09/58/98/188095898.db2.gz RMACDZMEUWXVBJ-OCCSQVGLSA-N 1 0 233.355 2.323 10 0 BEAERO CC(C)([NH3+])[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000003634871 188102260 /nfs/dbraw/zinc/10/22/60/188102260.db2.gz IEXIAWMURVKAII-SECBINFHSA-N 1 0 233.233 2.476 10 0 BEAERO CC(C)N(CCC[NH3+])c1ccccc1F ZINC000036730877 188104089 /nfs/dbraw/zinc/10/40/89/188104089.db2.gz VMGYIXCIEYEIEA-UHFFFAOYSA-N 1 0 210.296 2.389 10 0 BEAERO Cc1ccc(OCCSCC[NH3+])cc1C ZINC000020399375 188108649 /nfs/dbraw/zinc/10/86/49/188108649.db2.gz WDQQHUCKIPAVSX-UHFFFAOYSA-N 1 0 225.357 2.374 10 0 BEAERO CC(C)CC(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000020224951 188108824 /nfs/dbraw/zinc/10/88/24/188108824.db2.gz GXFMMKSXRUUSGZ-UHFFFAOYSA-N 1 0 220.316 2.154 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1NC(=O)c1ccncc1 ZINC000022216453 188109266 /nfs/dbraw/zinc/10/92/66/188109266.db2.gz SIHZZEXLVCWOKK-SNVBAGLBSA-N 1 0 241.294 2.354 10 0 BEAERO COc1ccc([C@H](C[NH3+])N(C)C(C)C)cc1 ZINC000022219352 188109561 /nfs/dbraw/zinc/10/95/61/188109561.db2.gz MBUWDADBNXIAAV-ZDUSSCGKSA-N 1 0 222.332 2.035 10 0 BEAERO CC(C)[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC000055231325 1172158885 /nfs/dbraw/zinc/15/88/85/1172158885.db2.gz YNDMTAVWCMZMAL-UHFFFAOYSA-N 1 0 235.327 2.388 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1cc[nH]n1 ZINC000037908278 188114598 /nfs/dbraw/zinc/11/45/98/188114598.db2.gz SWQMOERHAUOFRE-VXGBXAGGSA-N 1 0 238.379 2.037 10 0 BEAERO CCCC[N@@H+]1CC[C@@H](CC(=O)OC)C[C@@H]1C ZINC000073656137 188115072 /nfs/dbraw/zinc/11/50/72/188115072.db2.gz CWQJTZPWAAFKEH-NWDGAFQWSA-N 1 0 227.348 2.450 10 0 BEAERO C[NH+](C)Cc1c[nH]c2cccc(C=O)c12 ZINC000075602697 188116144 /nfs/dbraw/zinc/11/61/44/188116144.db2.gz XASGYSMPEREBMS-UHFFFAOYSA-N 1 0 202.257 2.042 10 0 BEAERO Cc1nn(C(C)C)c(C)c1NC1CC[NH2+]CC1 ZINC000038041567 188116611 /nfs/dbraw/zinc/11/66/11/188116611.db2.gz SPBYNLRAWSRQOG-UHFFFAOYSA-N 1 0 236.363 2.245 10 0 BEAERO CC(C)(C)c1csc(C2([NH3+])CCOCC2)n1 ZINC000041060105 188118878 /nfs/dbraw/zinc/11/88/78/188118878.db2.gz ZKTBPYWPLLSPOD-UHFFFAOYSA-N 1 0 240.372 2.405 10 0 BEAERO FC(F)(F)C12CC(C1)CN2CC1CC[NH2+]CC1 ZINC000334854446 180879059 /nfs/dbraw/zinc/87/90/59/180879059.db2.gz NQBBYEXWLOYRER-UHFFFAOYSA-N 1 0 248.292 2.013 10 0 BEAERO CCCO[C@H]1CCCN([C@H](C[NH3+])CC(C)C)C1 ZINC000042421495 188119773 /nfs/dbraw/zinc/11/97/73/188119773.db2.gz KBTIYLPMRFXVON-KBPBESRZSA-N 1 0 242.407 2.251 10 0 BEAERO CC(C)(C)n1cnc2cc(C[NH3+])ccc21 ZINC000082639383 188121301 /nfs/dbraw/zinc/12/13/01/188121301.db2.gz YPMDKJBHZQRRGE-UHFFFAOYSA-N 1 0 203.289 2.250 10 0 BEAERO Nc1ccc(SCC2CC[NH2+]CC2)c(F)c1 ZINC000043498286 188122206 /nfs/dbraw/zinc/12/22/06/188122206.db2.gz BSFIITRXCDQBAA-UHFFFAOYSA-N 1 0 240.347 2.500 10 0 BEAERO CC(C)Oc1ccccc1O[C@H](C)C1=[NH+]CCN1 ZINC000013805996 188106282 /nfs/dbraw/zinc/10/62/82/188106282.db2.gz YQBKUZKHVPTFOO-LLVKDONJSA-N 1 0 248.326 2.243 10 0 BEAERO CC(C)Oc1ccccc1O[C@@H](C)C1=[NH+]CCN1 ZINC000013805993 188106321 /nfs/dbraw/zinc/10/63/21/188106321.db2.gz YQBKUZKHVPTFOO-NSHDSACASA-N 1 0 248.326 2.243 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[NH2+]2 ZINC000091690518 188145151 /nfs/dbraw/zinc/14/51/51/188145151.db2.gz SSPFZTCMBZHRDB-ZDUSSCGKSA-N 1 0 240.347 2.487 10 0 BEAERO CCCn1cccc1C[NH2+]C[C@@H]1CCCO1 ZINC000045205842 188124021 /nfs/dbraw/zinc/12/40/21/188124021.db2.gz JTNJZXHMVQQSCU-ZDUSSCGKSA-N 1 0 222.332 2.167 10 0 BEAERO NC(=O)c1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000049234989 188124736 /nfs/dbraw/zinc/12/47/36/188124736.db2.gz UQTHYDHRGGBBHO-UHFFFAOYSA-N 1 0 244.338 2.064 10 0 BEAERO CC(C)(C)c1ccc([C@H]([NH3+])[C@@H]2COCCO2)cc1 ZINC000055298811 188126991 /nfs/dbraw/zinc/12/69/91/188126991.db2.gz VBSGYLCHKPQABM-KBPBESRZSA-N 1 0 249.354 2.399 10 0 BEAERO Cc1ccc(SCCOCC[NH3+])cc1C ZINC000057517121 188127361 /nfs/dbraw/zinc/12/73/61/188127361.db2.gz NZYRONWIEOCUOU-UHFFFAOYSA-N 1 0 225.357 2.371 10 0 BEAERO COc1ccc([C@H]([NH3+])c2cscn2)cc1F ZINC000062355216 188128890 /nfs/dbraw/zinc/12/88/90/188128890.db2.gz ISDPACXJJACRAL-NSHDSACASA-N 1 0 238.287 2.339 10 0 BEAERO CC(C)([NH3+])COCCCOc1ccccc1 ZINC000070837399 188130699 /nfs/dbraw/zinc/13/06/99/188130699.db2.gz JDTNQYVTYIQWOW-UHFFFAOYSA-N 1 0 223.316 2.209 10 0 BEAERO C[C@H]1[NH2+]CCc2c(F)cc(F)c(F)c21 ZINC000075688330 188132999 /nfs/dbraw/zinc/13/29/99/188132999.db2.gz MEQRCKVBMICONK-RXMQYKEDSA-N 1 0 201.191 2.311 10 0 BEAERO Cc1ccc(CNC(=O)C[C@@H](C[NH3+])C(C)C)cc1 ZINC000076634387 188134178 /nfs/dbraw/zinc/13/41/78/188134178.db2.gz WDGFCZRIXDGUML-AWEZNQCLSA-N 1 0 248.370 2.232 10 0 BEAERO Cc1ccc(NC(=O)C[C@@H](C)C[NH3+])c(C)c1 ZINC000076610208 188134409 /nfs/dbraw/zinc/13/44/09/188134409.db2.gz UQKBKAZZGXRLQD-SNVBAGLBSA-N 1 0 220.316 2.227 10 0 BEAERO CC(C)C[C@H](C[NH3+])CCC(=O)N1CCCC1 ZINC000076612380 188134636 /nfs/dbraw/zinc/13/46/36/188134636.db2.gz VBPPWYZVMJSXIX-GFCCVEGCSA-N 1 0 226.364 2.010 10 0 BEAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2[NH2+]CC[C@H]21 ZINC000076685662 188134998 /nfs/dbraw/zinc/13/49/98/188134998.db2.gz YEOHBOANBXVKQK-WDEREUQCSA-N 1 0 240.347 2.138 10 0 BEAERO CC[C@@H]1CN(Cc2ccccc2OC)[C@H](C)C[NH2+]1 ZINC000083379295 188142061 /nfs/dbraw/zinc/14/20/61/188142061.db2.gz WCGDNHAXSKCUDB-TZMCWYRMSA-N 1 0 248.370 2.268 10 0 BEAERO C[C@H]([NH3+])c1ccccc1I ZINC000083592802 188142472 /nfs/dbraw/zinc/14/24/72/188142472.db2.gz WIBCSGJAVSVSPB-LURJTMIESA-N 1 0 247.079 2.311 10 0 BEAERO CC(C)C[C@@H](O)C[C@H]([NH3+])c1ccccc1 ZINC000044138999 188152725 /nfs/dbraw/zinc/15/27/25/188152725.db2.gz NZHROOBQXAVQKV-OLZOCXBDSA-N 1 0 207.317 2.484 10 0 BEAERO Nc1ccc(SC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000051891127 188157135 /nfs/dbraw/zinc/15/71/35/188157135.db2.gz UCONCUUOOQQVQA-QMMMGPOBSA-N 1 0 226.320 2.110 10 0 BEAERO C/C=C(\C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000100113588 188158637 /nfs/dbraw/zinc/15/86/37/188158637.db2.gz UVHGSMZRSVGWDJ-LKQNJMEQSA-N 1 0 223.316 2.121 10 0 in-man BEAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000638996820 353238236 /nfs/dbraw/zinc/23/82/36/353238236.db2.gz OGRBFOWDWTXCAT-WXHSDQCUSA-N 1 0 238.375 2.056 10 0 BEAERO FC(F)(F)c1ccccc1N[C@@H]1CC[NH2+]C1 ZINC000052093974 180895340 /nfs/dbraw/zinc/89/53/40/180895340.db2.gz TVRCTZKWULASRD-MRVPVSSYSA-N 1 0 230.233 2.479 10 0 BEAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cs1 ZINC000638994136 353225521 /nfs/dbraw/zinc/22/55/21/353225521.db2.gz JTSMCNDWIPTIEL-RKDXNWHRSA-N 1 0 224.329 2.122 10 0 BEAERO FC(F)(F)c1noc(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000096882346 188147988 /nfs/dbraw/zinc/14/79/88/188147988.db2.gz URNURZWCVAOUEA-ZETCQYMHSA-N 1 0 249.236 2.163 10 0 BEAERO CC(C)(C)c1ccc([S@](=O)CC[NH3+])cc1 ZINC000040954849 188149825 /nfs/dbraw/zinc/14/98/25/188149825.db2.gz BAZYXZDWQMBCJE-HNNXBMFYSA-N 1 0 225.357 2.050 10 0 BEAERO CC[NH+]1CCC(O)(c2ccccc2C)CC1 ZINC000037716976 358477018 /nfs/dbraw/zinc/47/70/18/358477018.db2.gz ZIKOWMKYDUWHES-UHFFFAOYSA-N 1 0 219.328 2.298 10 0 BEAERO CC(C)(CO)[NH2+]Cc1cccc(F)c1Cl ZINC000083358410 188180077 /nfs/dbraw/zinc/18/00/77/188180077.db2.gz SZSSHKYNXHZDAG-UHFFFAOYSA-N 1 0 231.698 2.340 10 0 BEAERO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000230702635 188186587 /nfs/dbraw/zinc/18/65/87/188186587.db2.gz HIZFDSQVIVGARC-FZMZJTMJSA-N 1 0 237.318 2.385 10 0 BEAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638998381 353241654 /nfs/dbraw/zinc/24/16/54/353241654.db2.gz VNYMMSBLXRVQJM-KGYLQXTDSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)N1CC[NH2+]C[C@@H]1c1cccs1 ZINC000077304295 188222137 /nfs/dbraw/zinc/22/21/37/188222137.db2.gz GDVXSKWGSCBVHS-SNVBAGLBSA-N 1 0 210.346 2.103 10 0 BEAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H]1CCC=CO1 ZINC000050269096 188219475 /nfs/dbraw/zinc/21/94/75/188219475.db2.gz BOEVCUFPFMFZNW-UONOGXRCSA-N 1 0 240.391 2.245 10 0 BEAERO C[C@@H](C[NH2+][C@@H]1CCCOC1)c1nccs1 ZINC000134951950 538114140 /nfs/dbraw/zinc/11/41/40/538114140.db2.gz FMNOCQPVWHKCTK-VHSXEESVSA-N 1 0 226.345 2.015 10 0 BEAERO CC(C)C[C@@H](C[NH2+][C@H]1CCCSC1)N(C)C ZINC000061572295 188223046 /nfs/dbraw/zinc/22/30/46/188223046.db2.gz UCQBRAJSNFFMGE-STQMWFEESA-N 1 0 244.448 2.448 10 0 BEAERO C[NH2+][C@H](C1=COCCC1)[C@H]1CCCS1 ZINC000160142197 353305545 /nfs/dbraw/zinc/30/55/45/353305545.db2.gz NYVVYKGTPIZUGA-GHMZBOCLSA-N 1 0 213.346 2.164 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1nccs1 ZINC000226234193 538115381 /nfs/dbraw/zinc/11/53/81/538115381.db2.gz OTYYICYJAYNCFP-LPEHRKFASA-N 1 0 226.345 2.097 10 0 BEAERO FCC[C@H]1CCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000309523368 180937453 /nfs/dbraw/zinc/93/74/53/180937453.db2.gz ACRWWNFYHNJKHO-OLZOCXBDSA-N 1 0 227.323 2.451 10 0 BEAERO Cc1cc([C@H]([NH3+])[C@H]2CO[C@@H](C)C2)cs1 ZINC000129493298 353319943 /nfs/dbraw/zinc/31/99/43/353319943.db2.gz UAYATSAUHPJZIT-JVUFJMBOSA-N 1 0 211.330 2.481 10 0 BEAERO Fc1ccc(C[C@H]2C[NH2+]CCS2)cc1 ZINC000071518276 180971927 /nfs/dbraw/zinc/97/19/27/180971927.db2.gz UQLFXNBMDTXLBM-NSHDSACASA-N 1 0 211.305 2.073 10 0 BEAERO C[C@H]([NH3+])[C@H](C)c1nc2cnccc2s1 ZINC000165692645 353458485 /nfs/dbraw/zinc/45/84/85/353458485.db2.gz ZNEVGRLCDCOICF-BQBZGAKWSA-N 1 0 207.302 2.142 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)c1nc2cnccc2s1 ZINC000165692404 353458667 /nfs/dbraw/zinc/45/86/67/353458667.db2.gz ZNEVGRLCDCOICF-NKWVEPMBSA-N 1 0 207.302 2.142 10 0 BEAERO C[C@H]1CC[C@@H](Nc2ccc(C#N)cc2F)C[NH2+]1 ZINC000399014598 353585016 /nfs/dbraw/zinc/58/50/16/353585016.db2.gz DHWIFDILXITQGJ-GXSJLCMTSA-N 1 0 233.290 2.250 10 0 BEAERO C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2F)C[NH2+]1 ZINC000399014599 353585373 /nfs/dbraw/zinc/58/53/73/353585373.db2.gz DHWIFDILXITQGJ-KOLCDFICSA-N 1 0 233.290 2.250 10 0 BEAERO C[N@H+](Cc1ccsc1)[C@H]1CCC[C@H]1O ZINC000252388772 363235246 /nfs/dbraw/zinc/23/52/46/363235246.db2.gz GGNODZFCBYZGDB-WDEREUQCSA-N 1 0 211.330 2.093 10 0 BEAERO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CCc1ccccn1 ZINC000035014681 188454380 /nfs/dbraw/zinc/45/43/80/188454380.db2.gz BYRSORWWBRVEKV-HZSPNIEDSA-N 1 0 228.339 2.426 10 0 BEAERO Cc1cnc(S[C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000042404871 188476949 /nfs/dbraw/zinc/47/69/49/188476949.db2.gz IWWNJOWWGNHMOK-QWRGUYRKSA-N 1 0 237.372 2.395 10 0 BEAERO CNC(=O)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000044988083 188480264 /nfs/dbraw/zinc/48/02/64/188480264.db2.gz LFLKOXWNYLFTHG-VIFPVBQESA-N 1 0 240.734 2.127 10 0 BEAERO Cc1ccc(COC2CCC([NH3+])CC2)o1 ZINC000055143064 188484336 /nfs/dbraw/zinc/48/43/36/188484336.db2.gz CVROHKJRZWAGAS-UHFFFAOYSA-N 1 0 209.289 2.375 10 0 BEAERO CC(C)(C)c1cc(OC2CC2)c(C[NH3+])cn1 ZINC000095738122 188500863 /nfs/dbraw/zinc/50/08/63/188500863.db2.gz IGZOIWPAFQEACH-UHFFFAOYSA-N 1 0 220.316 2.379 10 0 BEAERO Fc1ccccc1C[C@H]1C[NH2+]CCS1 ZINC000071518274 181013050 /nfs/dbraw/zinc/01/30/50/181013050.db2.gz QXTMNRATDSWTPO-JTQLQIEISA-N 1 0 211.305 2.073 10 0 BEAERO Fc1ccccc1-c1noc2c1C[NH2+]CC2 ZINC000019200235 181010139 /nfs/dbraw/zinc/01/01/39/181010139.db2.gz MIQGMCFXYSYAQH-UHFFFAOYSA-N 1 0 218.231 2.126 10 0 BEAERO C[C@H]1CC[C@H](Nc2ccc(F)cc2C#N)C[NH2+]1 ZINC000399044813 353741729 /nfs/dbraw/zinc/74/17/29/353741729.db2.gz UCFLWQUMXJBQAV-CABZTGNLSA-N 1 0 233.290 2.250 10 0 BEAERO Fc1ccccc1CC[NH2+]CCCn1ccnc1 ZINC000049327707 181011380 /nfs/dbraw/zinc/01/13/80/181011380.db2.gz PSXVABCNAMXJRW-UHFFFAOYSA-N 1 0 247.317 2.245 10 0 BEAERO Cc1ccc([C@H](O)CC[NH3+])c(Br)c1 ZINC000129606266 353818008 /nfs/dbraw/zinc/81/80/08/353818008.db2.gz DVETULWYAQTCMW-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO CCNc1nc(N)nc2sc(C)cc21 ZINC000233674084 353838341 /nfs/dbraw/zinc/83/83/41/353838341.db2.gz OLDLQQDNDPSCMD-UHFFFAOYSA-N 1 0 208.290 2.014 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccns2)C[C@H](C)O1 ZINC000639136874 353846280 /nfs/dbraw/zinc/84/62/80/353846280.db2.gz XBUZBBOEYXGCJS-JGPRNRPPSA-N 1 0 240.372 2.436 10 0 BEAERO C[C@H]1[NH2+]CCc2c3ccc(O)cc3[nH]c21 ZINC000002508127 188517787 /nfs/dbraw/zinc/51/77/87/188517787.db2.gz AZTMWIPCEFFOJD-SSDOTTSWSA-N 1 0 202.257 2.080 10 0 endogenous,in-man BEAERO COC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000343530424 353929014 /nfs/dbraw/zinc/92/90/14/353929014.db2.gz JRCXFSVPYLMVJL-OPDFLTKYSA-N 1 0 241.375 2.205 10 0 BEAERO CC[C@H]([NH2+]CC[C@H](O)C(F)(F)F)[C@H]1C[C@H]1C ZINC000639171396 354136051 /nfs/dbraw/zinc/13/60/51/354136051.db2.gz BUWIPUVYVCRISP-KATARQTJSA-N 1 0 239.281 2.324 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)C1CC[NH2+]CC1 ZINC000135197286 188582741 /nfs/dbraw/zinc/58/27/41/188582741.db2.gz DDJCRRBBEJANAG-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO Cc1ccc(C)c(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000335136027 354785317 /nfs/dbraw/zinc/78/53/17/354785317.db2.gz VYFWWQNWZNAOAO-NEPJUHHUSA-N 1 0 247.342 2.114 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(C)nn1C ZINC000233407380 363400880 /nfs/dbraw/zinc/40/08/80/363400880.db2.gz YYIBAJOFTDAOTC-CMPLNLGQSA-N 1 0 207.321 2.007 10 0 BEAERO Cc1c2cc(F)ccc2oc1CN[C@H]1CC[NH2+]C1 ZINC000335193409 355026794 /nfs/dbraw/zinc/02/67/94/355026794.db2.gz IMNNAEUOGRAVKR-NSHDSACASA-N 1 0 248.301 2.332 10 0 BEAERO CC[N@@H+]1CCC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000040503113 358494002 /nfs/dbraw/zinc/49/40/02/358494002.db2.gz IBRXYYPIEZIMQP-NSHDSACASA-N 1 0 244.342 2.459 10 0 BEAERO NC(=[NH2+])CSc1ccc(C(F)(F)F)cn1 ZINC000019848209 181186720 /nfs/dbraw/zinc/18/67/20/181186720.db2.gz YEYKNFXLKWKELA-UHFFFAOYSA-N 1 0 235.234 2.128 10 0 BEAERO NC(=[NH2+])CCOc1cccc(C(F)(F)F)c1 ZINC000019841395 181187064 /nfs/dbraw/zinc/18/70/64/181187064.db2.gz YFTJGUAADVIHSC-UHFFFAOYSA-N 1 0 232.205 2.410 10 0 BEAERO COc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000639286122 355393556 /nfs/dbraw/zinc/39/35/56/355393556.db2.gz OJTJTSQCXWHPBU-JMJZKYOTSA-N 1 0 238.356 2.430 10 0 BEAERO NC(=[NH2+])Cc1ccc(OCc2cccnc2)cc1 ZINC000019470831 181187572 /nfs/dbraw/zinc/18/75/72/181187572.db2.gz INQDCCBKGRSTQE-UHFFFAOYSA-N 1 0 241.294 2.139 10 0 BEAERO NC(=[NH2+])c1ccc(-c2nccs2)cc1 ZINC000075873264 181193556 /nfs/dbraw/zinc/19/35/56/181193556.db2.gz TTWBYRZIAGNEIN-UHFFFAOYSA-N 1 0 203.270 2.094 10 0 BEAERO C[C@H]([NH3+])CC(=O)c1ccc(Cl)s1 ZINC000166412322 355409373 /nfs/dbraw/zinc/40/93/73/355409373.db2.gz MGFJQWPULRYRAW-YFKPBYRVSA-N 1 0 203.694 2.322 10 0 BEAERO NC(=[NH2+])c1ccc(COCC2CC2)c(F)c1 ZINC000019871426 181194002 /nfs/dbraw/zinc/19/40/02/181194002.db2.gz DEWPGUSKKWRVPB-UHFFFAOYSA-N 1 0 222.263 2.036 10 0 BEAERO NC(=[NH2+])c1cccc(-c2cccc(F)c2F)n1 ZINC000071186739 181194928 /nfs/dbraw/zinc/19/49/28/181194928.db2.gz XHZYFEBAIVYAGY-UHFFFAOYSA-N 1 0 233.221 2.311 10 0 BEAERO NC(=[NH2+])c1ccc2cc(Cl)ccc2n1 ZINC000062620654 181194955 /nfs/dbraw/zinc/19/49/55/181194955.db2.gz IBCSNCFRCWNPMM-UHFFFAOYSA-N 1 0 205.648 2.172 10 0 BEAERO NC(=[NH2+])c1ccccc1COC1CCCC1 ZINC000019438690 181196614 /nfs/dbraw/zinc/19/66/14/181196614.db2.gz BOACAXHTDKOPBS-UHFFFAOYSA-N 1 0 218.300 2.430 10 0 BEAERO [NH2+]=C(NC1CC1)N[C@@H]1CCCc2sccc21 ZINC000061368223 181197524 /nfs/dbraw/zinc/19/75/24/181197524.db2.gz JGAFGKHPTNNEMD-SNVBAGLBSA-N 1 0 235.356 2.402 10 0 BEAERO [NH2+]=C(Nc1ccccc1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249250347 181200220 /nfs/dbraw/zinc/20/02/20/181200220.db2.gz BYKIUHWSUIJEFJ-XQQFMLRXSA-N 1 0 245.326 2.190 10 0 BEAERO Clc1ccc(C2(N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000215906609 355597284 /nfs/dbraw/zinc/59/72/84/355597284.db2.gz BDAKWFAWRONPRE-LBPRGKRZSA-N 1 0 236.746 2.281 10 0 BEAERO Cc1cc(C[NH3+])c(F)cc1Br ZINC000215962720 355621469 /nfs/dbraw/zinc/62/14/69/355621469.db2.gz JNYNTADWFDTZDI-UHFFFAOYSA-N 1 0 218.069 2.355 10 0 BEAERO CC(C)(C)[NH2+]Cc1cc(N)ncc1Cl ZINC000166574729 355701006 /nfs/dbraw/zinc/70/10/06/355701006.db2.gz DATPNRIODSZXRX-UHFFFAOYSA-N 1 0 213.712 2.205 10 0 BEAERO [NH2+]=C1c2cc(F)ccc2CN1C[C@H]1CCCOC1 ZINC000071269080 181207645 /nfs/dbraw/zinc/20/76/45/181207645.db2.gz VKDOXUQBCHSHFL-SNVBAGLBSA-N 1 0 248.301 2.393 10 0 BEAERO [NH2+]=C1c2cc(F)ccc2CN1C1CCOCC1 ZINC000071268821 181208093 /nfs/dbraw/zinc/20/80/93/181208093.db2.gz ITJOZXKKBLPCPN-UHFFFAOYSA-N 1 0 234.274 2.146 10 0 BEAERO CCN1CC[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000389188444 355779303 /nfs/dbraw/zinc/77/93/03/355779303.db2.gz TYFWBTQULKTCDL-RFQIPJPRSA-N 1 0 224.392 2.495 10 0 BEAERO Cc1ccc([C@@H](O)[C@H](C)[NH3+])c(Br)c1 ZINC000129659011 355818779 /nfs/dbraw/zinc/81/87/79/355818779.db2.gz IGGXECALINLYLP-XVKPBYJWSA-N 1 0 244.132 2.138 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H]([C@H]2CCSC2)S1 ZINC000300209878 358499545 /nfs/dbraw/zinc/49/95/45/358499545.db2.gz IJJBETIOWBEQEH-HRDYMLBCSA-N 1 0 203.376 2.181 10 0 BEAERO C[C@@H](Cc1ccsc1)[NH2+]Cc1nccn1C ZINC000049182316 355936903 /nfs/dbraw/zinc/93/69/03/355936903.db2.gz FFELPARCCCSPFZ-JTQLQIEISA-N 1 0 235.356 2.202 10 0 BEAERO CC[N@@H+]1CC[C@H](N=c2[nH]c3ccccc3s2)C1 ZINC000389211626 355879956 /nfs/dbraw/zinc/87/99/56/355879956.db2.gz BZRLBTCHTRNJDY-JTQLQIEISA-N 1 0 247.367 2.224 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000192344142 355981850 /nfs/dbraw/zinc/98/18/50/355981850.db2.gz WJXILHFTHUKIAP-CHWSQXEVSA-N 1 0 209.333 2.500 10 0 BEAERO C[NH2+]C[C@H](C)c1nc2c(s1)CSCC2 ZINC000167378540 355986796 /nfs/dbraw/zinc/98/67/96/355986796.db2.gz ITUGQTHDAFRCOR-ZETCQYMHSA-N 1 0 228.386 2.255 10 0 BEAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc2ccccc2n1 ZINC000216237899 355952349 /nfs/dbraw/zinc/95/23/49/355952349.db2.gz GIPIDOVWVLKPFA-NEPJUHHUSA-N 1 0 241.338 2.408 10 0 BEAERO COC(=O)C[C@H](C[NH3+])C1CCCCCC1 ZINC000085113296 356129897 /nfs/dbraw/zinc/12/98/97/356129897.db2.gz JJQZFAKXUKVKMF-LLVKDONJSA-N 1 0 213.321 2.095 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000193252395 356311433 /nfs/dbraw/zinc/31/14/33/356311433.db2.gz WBBNSDQZHTUHEX-BFHYXJOUSA-N 1 0 243.391 2.142 10 0 BEAERO CCCCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019472620 168762587 /nfs/dbraw/zinc/76/25/87/168762587.db2.gz BUZGPPKGHHAYKP-AGIUHOORSA-N 1 0 238.375 2.166 10 0 BEAERO NC(=O)[C@H]([NH2+]C1CCCCC1)[C@H]1CC=CCC1 ZINC000037969807 181278743 /nfs/dbraw/zinc/27/87/43/181278743.db2.gz XLSFHDJNFAFEIG-WCQYABFASA-N 1 0 236.359 2.119 10 0 BEAERO C[C@@H](C[N@@H+]1CC[C@@H](O)C(C)(C)C1)C(F)(F)F ZINC000336180660 134119183 /nfs/dbraw/zinc/11/91/83/134119183.db2.gz BLNOHFNAAQJUNS-DTWKUNHWSA-N 1 0 239.281 2.278 10 0 BEAERO C[C@@H]1C[N@H+](CCC(C)(F)F)CCS1 ZINC000336187441 134122009 /nfs/dbraw/zinc/12/20/09/134122009.db2.gz AUQKVIINOAQSKH-MRVPVSSYSA-N 1 0 209.305 2.469 10 0 BEAERO C[C@@H]1C[N@H+](C[C@H]2CCCC2(F)F)CCO1 ZINC000336192431 134124120 /nfs/dbraw/zinc/12/41/20/134124120.db2.gz PLDQBSRMIPNWJH-NXEZZACHSA-N 1 0 219.275 2.143 10 0 BEAERO Cc1cc([C@H](O)CC[NH3+])ccc1Br ZINC000125291951 538469300 /nfs/dbraw/zinc/46/93/00/538469300.db2.gz RBAYIRZSVNHINQ-SNVBAGLBSA-N 1 0 244.132 2.140 10 0 BEAERO Cc1cc([C@@H](O)CC[NH3+])ccc1Br ZINC000125292154 538469304 /nfs/dbraw/zinc/46/93/04/538469304.db2.gz RBAYIRZSVNHINQ-JTQLQIEISA-N 1 0 244.132 2.140 10 0 BEAERO CC(C)[NH2+]Cc1csc(-c2ccnnc2)n1 ZINC000675051003 538473387 /nfs/dbraw/zinc/47/33/87/538473387.db2.gz GHBXIKWCQXPHDQ-UHFFFAOYSA-N 1 0 234.328 2.098 10 0 BEAERO C[C@H]1CCCN(CC23CCC(CC2)[NH2+]3)[C@H]1C ZINC000675056023 538476912 /nfs/dbraw/zinc/47/69/12/538476912.db2.gz IJJZVLHCRWUGLT-FEPKRQSRSA-N 1 0 222.376 2.391 10 0 BEAERO CC(C)[C@H](C)C(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675055946 538476999 /nfs/dbraw/zinc/47/69/99/538476999.db2.gz DZKDQRIZWHYZHH-OUCADQQQSA-N 1 0 238.375 2.008 10 0 BEAERO Nc1c(F)ccc(C2CC[NH2+]CC2)c1F ZINC000675059709 538485048 /nfs/dbraw/zinc/48/50/48/538485048.db2.gz VFAQYZVNACOVMK-UHFFFAOYSA-N 1 0 212.243 2.014 10 0 BEAERO Cc1cn2c(n1)[C@H](C1CCC1)[NH2+]CCC2 ZINC000675068718 538496995 /nfs/dbraw/zinc/49/69/95/538496995.db2.gz RXLVJWNDQJFEIF-NSHDSACASA-N 1 0 205.305 2.026 10 0 BEAERO CCCC[C@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675067824 538495127 /nfs/dbraw/zinc/49/51/27/538495127.db2.gz JYHZLFCZKAMORJ-LLVKDONJSA-N 1 0 207.321 2.416 10 0 BEAERO CC[C@@H](C)[C@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675067785 538495177 /nfs/dbraw/zinc/49/51/77/538495177.db2.gz JKKRPTPXWIHLBU-MWLCHTKSSA-N 1 0 207.321 2.272 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1ncc(Cl)cn1 ZINC000168074925 134155396 /nfs/dbraw/zinc/15/53/96/134155396.db2.gz CDOVEEJYPVHHDO-VIFPVBQESA-N 1 0 228.727 2.059 10 0 BEAERO O[C@@H]1C=C(CCC2=CCCCC2)C[NH2+]C1 ZINC000675076391 538511288 /nfs/dbraw/zinc/51/12/88/538511288.db2.gz CINYXPSKQLPUNY-CYBMUJFWSA-N 1 0 207.317 2.158 10 0 BEAERO Cc1cc([C@@H]([NH3+])c2ccccn2)cs1 ZINC000083450957 538499739 /nfs/dbraw/zinc/49/97/39/538499739.db2.gz QIENKIYLPZKICD-LLVKDONJSA-N 1 0 204.298 2.500 10 0 BEAERO COc1nc2c(C)cccc2cc1C[NH3+] ZINC000675070190 538500361 /nfs/dbraw/zinc/50/03/61/538500361.db2.gz RBLMQKPMIYXVTB-UHFFFAOYSA-N 1 0 202.257 2.011 10 0 BEAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccco1 ZINC000167641452 134153348 /nfs/dbraw/zinc/15/33/48/134153348.db2.gz DJFZDJKVLQHAFH-GXSJLCMTSA-N 1 0 211.305 2.337 10 0 BEAERO Cc1cc(NC2=[NH+]CCN2)ccc1Cl ZINC000675072410 538503207 /nfs/dbraw/zinc/50/32/07/538503207.db2.gz FZUJWIBNAOQUMG-UHFFFAOYSA-N 1 0 209.680 2.020 10 0 BEAERO Cc1cc(C2([NH3+])CCC2)c(C)cc1C=O ZINC000675072441 538503451 /nfs/dbraw/zinc/50/34/51/538503451.db2.gz GREJQHVEQWACLD-UHFFFAOYSA-N 1 0 203.285 2.454 10 0 BEAERO CCON(Cc1ccccc1)C1CC[NH2+]CC1 ZINC000675072694 538503966 /nfs/dbraw/zinc/50/39/66/538503966.db2.gz CTRKOBKJCWVPNY-UHFFFAOYSA-N 1 0 234.343 2.192 10 0 BEAERO CC(C)C(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675073265 538505066 /nfs/dbraw/zinc/50/50/66/538505066.db2.gz IFXSFTKTBJYDCG-UHFFFAOYSA-N 1 0 226.364 2.200 10 0 BEAERO CCc1cccc2cc(C[NH3+])c(OC)nc21 ZINC000675069519 538498270 /nfs/dbraw/zinc/49/82/70/538498270.db2.gz HWDFPBAHDPOOEV-UHFFFAOYSA-N 1 0 216.284 2.265 10 0 BEAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000084856336 134159305 /nfs/dbraw/zinc/15/93/05/134159305.db2.gz MMHKYZBWIPGDBI-AEJSXWLSSA-N 1 0 238.356 2.053 10 0 BEAERO [NH3+]CC[C@H](O)c1cccc(Cl)c1Cl ZINC000083557805 538514394 /nfs/dbraw/zinc/51/43/94/538514394.db2.gz PSLODMRSWABYTE-QMMMGPOBSA-N 1 0 220.099 2.376 10 0 BEAERO O=C1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675078692 538516080 /nfs/dbraw/zinc/51/60/80/538516080.db2.gz IZQTWLAMSGCCDS-UHFFFAOYSA-N 1 0 245.322 2.011 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000389500954 356695630 /nfs/dbraw/zinc/69/56/30/356695630.db2.gz CATJRNLLKDEWLG-CQSZACIVSA-N 1 0 243.354 2.352 10 0 BEAERO COc1cccc([C@]23C[C@H](CC2)[C@H]3[NH3+])c1 ZINC000675081199 538522412 /nfs/dbraw/zinc/52/24/12/538522412.db2.gz LIZNLMVYEJGFHX-ZWKOPEQDSA-N 1 0 203.285 2.074 10 0 BEAERO CCn1ncc2c1[C@H]1CCCC[C@@H]1[NH2+]C2 ZINC000675081785 538522791 /nfs/dbraw/zinc/52/27/91/538522791.db2.gz LLQSTTIFLIUZLA-QWRGUYRKSA-N 1 0 205.305 2.032 10 0 BEAERO [NH3+]CCCc1nc2c(s1)CC(F)(F)CC2 ZINC000675077132 538511938 /nfs/dbraw/zinc/51/19/38/538511938.db2.gz YNUWITBEPKYSHG-UHFFFAOYSA-N 1 0 232.299 2.158 10 0 BEAERO C[C@H]1Cc2sc(CC[NH3+])nc2[C@H](C)C1 ZINC000675077097 538512497 /nfs/dbraw/zinc/51/24/97/538512497.db2.gz XNIGMGCBWOYYFG-HTQZYQBOSA-N 1 0 210.346 2.330 10 0 BEAERO CC(C)CC[NH2+]CCN1C[C@@H]2CCC[C@H]2C1 ZINC000126581484 538534398 /nfs/dbraw/zinc/53/43/98/538534398.db2.gz QESKYQWFYFAFKQ-KBPBESRZSA-N 1 0 224.392 2.354 10 0 BEAERO CC(C)CCC[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000220260667 538539514 /nfs/dbraw/zinc/53/95/14/538539514.db2.gz KYVPLLNQSBIWKE-JTQLQIEISA-N 1 0 207.321 2.423 10 0 BEAERO CC[NH2+]Cc1cccc(N2CCCC2)c1 ZINC000086658723 538559076 /nfs/dbraw/zinc/55/90/76/538559076.db2.gz HEPWNYPPUXYLFJ-UHFFFAOYSA-N 1 0 204.317 2.396 10 0 BEAERO O=C(C[C@@H]1CCCCC[NH2+]1)c1nccs1 ZINC000086499873 538555763 /nfs/dbraw/zinc/55/57/63/538555763.db2.gz AXRIVRCCLUEHIF-VIFPVBQESA-N 1 0 224.329 2.248 10 0 BEAERO C[C@@H](C(=O)c1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000086499758 538555843 /nfs/dbraw/zinc/55/58/43/538555843.db2.gz SSSIYZOYLJIUGV-ZJUUUORDSA-N 1 0 207.273 2.241 10 0 BEAERO CC(C)(C)c1ccc(N2C[C@H]([NH3+])CCC2=O)cc1 ZINC000084076600 538526545 /nfs/dbraw/zinc/52/65/45/538526545.db2.gz VFCNPJIOHKDBRP-GFCCVEGCSA-N 1 0 246.354 2.438 10 0 BEAERO CC(C)c1ccc(N2C[C@H]([NH3+])CCC2=O)cc1 ZINC000084036635 538527015 /nfs/dbraw/zinc/52/70/15/538527015.db2.gz DLKULVSJRVONFP-GFCCVEGCSA-N 1 0 232.327 2.264 10 0 BEAERO C[C@@H]1CC[NH2+][C@@H](CC(=O)c2cscn2)C1 ZINC000130388587 538589548 /nfs/dbraw/zinc/58/95/48/538589548.db2.gz CUTUVDHCOYEWPG-RKDXNWHRSA-N 1 0 224.329 2.104 10 0 BEAERO C[C@H]1CCC[C@H](CC(=O)c2ccco2)[NH2+]1 ZINC000130298695 538590612 /nfs/dbraw/zinc/59/06/12/538590612.db2.gz OMKMDXFOHJGXDC-VHSXEESVSA-N 1 0 207.273 2.383 10 0 BEAERO CCOC(=O)/C=C/C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000087415878 538565936 /nfs/dbraw/zinc/56/59/36/538565936.db2.gz RQYWXRUXPFPPKP-WTIVYXKASA-N 1 0 225.332 2.084 10 0 BEAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1ncc[nH]1 ZINC000087341250 538566175 /nfs/dbraw/zinc/56/61/75/538566175.db2.gz VHRJUONIMNFSSW-LLVKDONJSA-N 1 0 219.263 2.052 10 0 BEAERO [NH3+]C[C@H]1CCOc2c(Br)cccc21 ZINC000096987615 538617163 /nfs/dbraw/zinc/61/71/63/538617163.db2.gz VUSPKOMLDZIAOU-SSDOTTSWSA-N 1 0 242.116 2.274 10 0 BEAERO CCCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130423624 325051054 /nfs/dbraw/zinc/05/10/54/325051054.db2.gz CHZNCPMMPFOWPB-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000389547848 356987728 /nfs/dbraw/zinc/98/77/28/356987728.db2.gz NAPZMTXDPSLENO-ZDUSSCGKSA-N 1 0 243.354 2.352 10 0 BEAERO CCN1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000389551251 356988232 /nfs/dbraw/zinc/98/82/32/356988232.db2.gz OVHOWCZRKPAWNH-AWEZNQCLSA-N 1 0 243.354 2.352 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncnc2ccccc21 ZINC000389693227 357015811 /nfs/dbraw/zinc/01/58/11/357015811.db2.gz AFBAEJJTAWKGHJ-GXFFZTMASA-N 1 0 242.326 2.040 10 0 BEAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncnc2ccsc21 ZINC000389710717 357018107 /nfs/dbraw/zinc/01/81/07/357018107.db2.gz UOMFFXPISKBSJD-WCBMZHEXSA-N 1 0 248.355 2.101 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000391438219 357129190 /nfs/dbraw/zinc/12/91/90/357129190.db2.gz LATGJQVTVSDTSO-CHWSQXEVSA-N 1 0 223.360 2.460 10 0 BEAERO CCC[N@H+](CC(=O)OC)C1CCCCC1 ZINC000050065772 357311130 /nfs/dbraw/zinc/31/11/30/357311130.db2.gz HXFVRPDUAUQPBH-UHFFFAOYSA-N 1 0 213.321 2.204 10 0 BEAERO [NH3+][C@@H]1c2cc(Cl)ccc2CCC[C@@H]1O ZINC000039941517 491110696 /nfs/dbraw/zinc/11/06/96/491110696.db2.gz LTOASGHNLCUQCF-WDEREUQCSA-N 1 0 211.692 2.037 10 0 BEAERO CC1(C)CN(c2nc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000261557693 535359359 /nfs/dbraw/zinc/35/93/59/535359359.db2.gz CUJIZUPKWBDXOQ-LBPRGKRZSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)CC(F)(F)F ZINC000396951623 357487946 /nfs/dbraw/zinc/48/79/46/357487946.db2.gz QPGYIUOSASQFSA-IVZWLZJFSA-N 1 0 239.281 2.468 10 0 BEAERO Cc1cc(C)c(C[NH2+]C[C@H](O)C(C)(C)C)cn1 ZINC000397009314 357488522 /nfs/dbraw/zinc/48/85/22/357488522.db2.gz DHXFBXTWTBHDQS-ZDUSSCGKSA-N 1 0 236.359 2.195 10 0 BEAERO COC1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000230389856 357532287 /nfs/dbraw/zinc/53/22/87/357532287.db2.gz YKZMHDKKJMDIES-GFJIZPEISA-N 1 0 241.375 2.085 10 0 BEAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000230993778 357587661 /nfs/dbraw/zinc/58/76/61/357587661.db2.gz JRRJEIXKJZKNHJ-FRRDWIJNSA-N 1 0 238.375 2.069 10 0 BEAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)o1 ZINC000231532241 357609269 /nfs/dbraw/zinc/60/92/69/357609269.db2.gz IPTWHNYSROLRHJ-INTQDDNPSA-N 1 0 224.304 2.201 10 0 BEAERO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[NH2+]2 ZINC000685945598 538886989 /nfs/dbraw/zinc/88/69/89/538886989.db2.gz WSMAXRYYFOMQSC-GWCFXTLKSA-N 1 0 240.347 2.043 10 0 BEAERO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCC[NH2+]2 ZINC000685945601 538887440 /nfs/dbraw/zinc/88/74/40/538887440.db2.gz WSMAXRYYFOMQSC-ZWNOBZJWSA-N 1 0 240.347 2.043 10 0 BEAERO CC[C@@]1(N)C[NH2+]C[C@@H]1c1cc(C)cc(C)c1 ZINC000685945922 538887577 /nfs/dbraw/zinc/88/75/77/538887577.db2.gz GECQDGFIQMNVFW-ZIAGYGMSSA-N 1 0 218.344 2.098 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCC[C@]([NH3+])(CC)C1 ZINC000685947729 538889519 /nfs/dbraw/zinc/88/95/19/538889519.db2.gz QSUPSJJNXSQXRR-DGCLKSJQSA-N 1 0 226.364 2.153 10 0 BEAERO CCCC[N@H+](CCO)[C@@H]1CC[C@H]2CC[C@@H]21 ZINC000685948654 538891160 /nfs/dbraw/zinc/89/11/60/538891160.db2.gz SITQTDWGSWYYCN-FRRDWIJNSA-N 1 0 211.349 2.269 10 0 BEAERO CCn1cc([C@H]2C[N@@H+](C3CCCC3)CCO2)cn1 ZINC000190740301 357730241 /nfs/dbraw/zinc/73/02/41/357730241.db2.gz ZWZHSPBGXYFXCS-CQSZACIVSA-N 1 0 249.358 2.219 10 0 BEAERO CC[C@H]([NH2+]Cc1cncn1CC)C(C)C ZINC000085183749 134225095 /nfs/dbraw/zinc/22/50/95/134225095.db2.gz NEQYGUAUTJFCGP-LBPRGKRZSA-N 1 0 209.337 2.427 10 0 BEAERO CCN(C)C(=O)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000217361308 357868136 /nfs/dbraw/zinc/86/81/36/357868136.db2.gz GPFSPHMMVLKSGJ-LBPRGKRZSA-N 1 0 240.391 2.413 10 0 BEAERO CC[C@]1(C)CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000399442709 357890166 /nfs/dbraw/zinc/89/01/66/357890166.db2.gz USRSHGJUBFVLFH-TZMCWYRMSA-N 1 0 238.375 2.025 10 0 BEAERO CC(C)[NH2+]CCN[C@@H](C)[C@H]1COc2ccccc21 ZINC000193496858 357928858 /nfs/dbraw/zinc/92/88/58/357928858.db2.gz NTVNBSFZCZJXBL-GXTWGEPZSA-N 1 0 248.370 2.139 10 0 BEAERO Cc1cnc(CC[N@H+]2CC[C@@H](O)C[C@H]2C)c(C)c1 ZINC000639938693 357944014 /nfs/dbraw/zinc/94/40/14/357944014.db2.gz IRUITEAMJHWPFK-ZIAGYGMSSA-N 1 0 248.370 2.086 10 0 BEAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC12CCC(CC1)C2 ZINC000639938753 357944788 /nfs/dbraw/zinc/94/47/88/357944788.db2.gz KTYSQSUUHYOWSW-NELGMTEASA-N 1 0 223.360 2.412 10 0 BEAERO CCC[C@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000036872958 358055868 /nfs/dbraw/zinc/05/58/68/358055868.db2.gz NQUOXNSBAPLGKU-LBPRGKRZSA-N 1 0 232.327 2.093 10 0 BEAERO CSCC1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000385407935 358062428 /nfs/dbraw/zinc/06/24/28/358062428.db2.gz FPHWVAZYJPPXBL-UHFFFAOYSA-N 1 0 243.416 2.269 10 0 BEAERO Cc1ccc(F)c(C(=O)[C@@H](C)C[NH3+])c1F ZINC000169046018 358093692 /nfs/dbraw/zinc/09/36/92/358093692.db2.gz CJTUFMXBXFQHIC-ZETCQYMHSA-N 1 0 213.227 2.051 10 0 BEAERO OCCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000171065511 134256916 /nfs/dbraw/zinc/25/69/16/134256916.db2.gz HSYYIMPGPCWZOW-NSHDSACASA-N 1 0 240.372 2.095 10 0 BEAERO CCC1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000094295178 487527699 /nfs/dbraw/zinc/52/76/99/487527699.db2.gz WAYUPCDLPVQDHT-UHFFFAOYSA-N 1 0 238.375 2.343 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000392879443 259478295 /nfs/dbraw/zinc/47/82/95/259478295.db2.gz UPOFLCMIVXTJDB-RNJOBUHISA-N 1 0 238.375 2.212 10 0 BEAERO [NH3+]Cc1ccc2c(c1)ncn2[C@@H]1CCCCO1 ZINC000038540062 358159040 /nfs/dbraw/zinc/15/90/40/358159040.db2.gz UBPAJFDYOXYCNP-ZDUSSCGKSA-N 1 0 231.299 2.194 10 0 BEAERO C[NH+](C)CC[C@H]1CCc2ccccc2N1 ZINC000039410015 358226743 /nfs/dbraw/zinc/22/67/43/358226743.db2.gz NUKSQUDGAPXPEA-GFCCVEGCSA-N 1 0 204.317 2.365 10 0 BEAERO COc1ccc(OC)c2c1C[C@H]1CCC[NH2+][C@@H]1C2 ZINC000584597369 358254771 /nfs/dbraw/zinc/25/47/71/358254771.db2.gz CDDLWODZLSOFBP-ZWNOBZJWSA-N 1 0 247.338 2.171 10 0 BEAERO c1ccc(Nc2cc3c(cn2)C[NH2+]CC3)cc1 ZINC000584624202 358292326 /nfs/dbraw/zinc/29/23/26/358292326.db2.gz HIQHGPZTYGOJJT-UHFFFAOYSA-N 1 0 225.295 2.471 10 0 BEAERO C[NH+](C)[C@@H](Cc1ccccc1)[C@@H]1CCCO1 ZINC000584625402 358294369 /nfs/dbraw/zinc/29/43/69/358294369.db2.gz OBINUSWGLHKRHV-KBPBESRZSA-N 1 0 219.328 2.338 10 0 BEAERO C[NH+](C)[C@@]1(c2cccc(O)c2)CC[C@@H](O)CC1 ZINC000584651003 358305679 /nfs/dbraw/zinc/30/56/79/358305679.db2.gz ISLYMRWLZBLXIM-XBXGTLAGSA-N 1 0 235.327 2.084 10 0 BEAERO CCO[C@@H](c1ccccc1)C1=[NH+]CCCN1C ZINC000584650872 358305847 /nfs/dbraw/zinc/30/58/47/358305847.db2.gz KHNZFTJRVWUGAR-ZDUSSCGKSA-N 1 0 232.327 2.498 10 0 BEAERO Cc1[nH]c(N)[nH+]c1-c1ccc(C)c(F)c1 ZINC000584644370 358329430 /nfs/dbraw/zinc/32/94/30/358329430.db2.gz JBRQGTJZURTQNK-UHFFFAOYSA-N 1 0 205.236 2.245 10 0 BEAERO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392893285 259479325 /nfs/dbraw/zinc/47/93/25/259479325.db2.gz OSVUZEAFKATRNB-MXWKQRLJSA-N 1 0 226.364 2.068 10 0 BEAERO Cc1oc([C@@H]2CC[C@@H](C)[NH2+]C2)nc1C(C)(C)O ZINC000584636103 358320652 /nfs/dbraw/zinc/32/06/52/358320652.db2.gz WXIVKGCDIJPHFB-PSASIEDQSA-N 1 0 238.331 2.066 10 0 BEAERO c1ccc(C2([C@H]3CCCC[NH2+]3)OCCCO2)cc1 ZINC000584643157 358328018 /nfs/dbraw/zinc/32/80/18/358328018.db2.gz XESVVSFCBZYBHF-CQSZACIVSA-N 1 0 247.338 2.418 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000226228525 358335875 /nfs/dbraw/zinc/33/58/75/358335875.db2.gz SGJAFQRGQIADTL-GBJTYRQASA-N 1 0 231.339 2.436 10 0 BEAERO CSCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226237737 358336146 /nfs/dbraw/zinc/33/61/46/358336146.db2.gz VLTWWXDTQUSGGF-GHMZBOCLSA-N 1 0 217.378 2.023 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])CCN1C/C(Cl)=C\Cl ZINC000252689746 366412689 /nfs/dbraw/zinc/41/26/89/366412689.db2.gz SBFKLTUJRSPMFT-DAAJKXQRSA-N 1 0 223.147 2.117 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000226228515 358335251 /nfs/dbraw/zinc/33/52/51/358335251.db2.gz SGJAFQRGQIADTL-APIJFGDWSA-N 1 0 231.339 2.436 10 0 BEAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C(F)(F)F)nn1 ZINC000228269490 358372099 /nfs/dbraw/zinc/37/20/99/358372099.db2.gz YQDDNLWIDFMVOF-RNFRBKRXSA-N 1 0 248.252 2.033 10 0 BEAERO C[C@H](C[C@H](C)[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000228270194 358372243 /nfs/dbraw/zinc/37/22/43/358372243.db2.gz GCPOLKVLQSUWMS-NKWVEPMBSA-N 1 0 248.252 2.033 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000230671581 358409606 /nfs/dbraw/zinc/40/96/06/358409606.db2.gz MIDXFUSDXUQSQY-MELADBBJSA-N 1 0 243.391 2.190 10 0 BEAERO c1cc2c(ncnc2NCC2CC[NH2+]CC2)s1 ZINC000044509225 358388602 /nfs/dbraw/zinc/38/86/02/358388602.db2.gz UXADKNJQLPMRPS-UHFFFAOYSA-N 1 0 248.355 2.103 10 0 BEAERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000230418791 358399402 /nfs/dbraw/zinc/39/94/02/358399402.db2.gz RGTRECMDUAXLKO-YVECIDJPSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@H]([NH3+])c1ncc(Br)cc1F ZINC000044138860 358403349 /nfs/dbraw/zinc/40/33/49/358403349.db2.gz YONGCPHDYMOYJJ-BYPYZUCNSA-N 1 0 219.057 2.003 10 0 BEAERO CCCC[C@H](CC)CC[NH2+][C@H](C)CC(N)=O ZINC000128744859 491133151 /nfs/dbraw/zinc/13/31/51/491133151.db2.gz CMGNCYCEACSDQC-NEPJUHHUSA-N 1 0 228.380 2.446 10 0 BEAERO CC(C)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886969 358437908 /nfs/dbraw/zinc/43/79/08/358437908.db2.gz PRWJHZXRJMELRF-UHFFFAOYSA-N 1 0 221.348 2.251 10 0 BEAERO C[C@@H](COCc1ccccc1)[NH2+]C1CSC1 ZINC000307619289 491133858 /nfs/dbraw/zinc/13/38/58/491133858.db2.gz XAPMUUXYIITNAG-NSHDSACASA-N 1 0 237.368 2.297 10 0 BEAERO CC[C@H]1CCCC[N@@H+]1CCC(=O)NC(C)C ZINC000046502136 358578221 /nfs/dbraw/zinc/57/82/21/358578221.db2.gz IZLGEJJHOZHILW-LBPRGKRZSA-N 1 0 226.364 2.166 10 0 BEAERO C[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H](C)CCC1=O ZINC000053924573 358580144 /nfs/dbraw/zinc/58/01/44/358580144.db2.gz IARYPGOIZOFZCQ-WOPDTQHZSA-N 1 0 209.333 2.476 10 0 BEAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C ZINC000042579255 358526748 /nfs/dbraw/zinc/52/67/48/358526748.db2.gz WTWJYJPWGDHOOR-RYUDHWBXSA-N 1 0 221.348 2.479 10 0 BEAERO CC[C@@H]1CS[C@H]([C@H]2CCSC2)[NH2+]1 ZINC000300213001 358538390 /nfs/dbraw/zinc/53/83/90/358538390.db2.gz YVFCHCFLXKEWJG-DJLDLDEBSA-N 1 0 203.376 2.181 10 0 BEAERO CC[NH+]1CCC(O)(Cc2ccccc2OC)CC1 ZINC000043457624 358538715 /nfs/dbraw/zinc/53/87/15/358538715.db2.gz WGNCEUVXTFMONU-UHFFFAOYSA-N 1 0 249.354 2.085 10 0 BEAERO CCC[C@H](C)[NH2+][C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000300211046 358539105 /nfs/dbraw/zinc/53/91/05/358539105.db2.gz NHDLATHUSRQORY-GARJFASQSA-N 1 0 242.363 2.430 10 0 BEAERO CCc1nccn1[C@H]1CCC[N@H+](CCCF)C1 ZINC000130273841 358615992 /nfs/dbraw/zinc/61/59/92/358615992.db2.gz OKOVFZYGFXIHDK-LBPRGKRZSA-N 1 0 239.338 2.442 10 0 BEAERO CCCC[C@H](C[NH3+])Nc1nc2ccccc2[nH]1 ZINC000130520001 358630211 /nfs/dbraw/zinc/63/02/11/358630211.db2.gz NWPKMTLKTODZTG-SNVBAGLBSA-N 1 0 232.331 2.492 10 0 BEAERO CC(C)C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000047550171 358593445 /nfs/dbraw/zinc/59/34/45/358593445.db2.gz KVWFKMYIQBHYNX-OKILXGFUSA-N 1 0 241.375 2.302 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CCC1)c1nccs1 ZINC000130979406 358655417 /nfs/dbraw/zinc/65/54/17/358655417.db2.gz FCFQJUBXYANDQD-SNVBAGLBSA-N 1 0 240.372 2.346 10 0 BEAERO COc1ccc([C@@H]2C[NH2+]CC2(C)C)cc1OC ZINC000211483660 358697093 /nfs/dbraw/zinc/69/70/93/358697093.db2.gz KICKUSIXAKBFLG-NSHDSACASA-N 1 0 235.327 2.417 10 0 BEAERO CCc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)o1 ZINC000051721983 358760084 /nfs/dbraw/zinc/76/00/84/358760084.db2.gz COWNTULAOAGMEN-ZWNOBZJWSA-N 1 0 223.316 2.499 10 0 BEAERO C[C@@H]1CSc2ccccc2N1CCC[NH3+] ZINC000213801931 358741768 /nfs/dbraw/zinc/74/17/68/358741768.db2.gz GAWVKLPYLZGECA-SNVBAGLBSA-N 1 0 222.357 2.336 10 0 BEAERO CC(C)[C@@H]1CCSC(NCC(F)F)=[NH+]1 ZINC000231099314 358741916 /nfs/dbraw/zinc/74/19/16/358741916.db2.gz HMGSHGXVONFVQD-ZETCQYMHSA-N 1 0 222.304 2.359 10 0 BEAERO CC[C@H]1CCCCC[N@@H+]1Cc1nccc(N)n1 ZINC000135094631 358820478 /nfs/dbraw/zinc/82/04/78/358820478.db2.gz UTDKWAYZYCYNLD-NSHDSACASA-N 1 0 234.347 2.213 10 0 BEAERO CC(=O)CC[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134232277 358783691 /nfs/dbraw/zinc/78/36/91/358783691.db2.gz AOCHWBIBLZWYAM-IUODEOHRSA-N 1 0 247.338 2.290 10 0 BEAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000134254034 358784967 /nfs/dbraw/zinc/78/49/67/358784967.db2.gz VFUDTDXCOJQDPB-BXUZGUMPSA-N 1 0 249.358 2.265 10 0 BEAERO Cc1ccc(O)c(C[NH2+]Cc2ccc(O)cc2)n1 ZINC000134333809 358787342 /nfs/dbraw/zinc/78/73/42/358787342.db2.gz ZBEIGWCJCGLINJ-UHFFFAOYSA-N 1 0 244.294 2.091 10 0 BEAERO CC[C@@H](CCO)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000134349709 358787851 /nfs/dbraw/zinc/78/78/51/358787851.db2.gz ZWBKLAIKWDGEGK-ZDUSSCGKSA-N 1 0 237.343 2.260 10 0 BEAERO OCCC[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000052762096 358792508 /nfs/dbraw/zinc/79/25/08/358792508.db2.gz BRTSHZYWQUBPQQ-AWEZNQCLSA-N 1 0 249.354 2.302 10 0 BEAERO CCC[C@@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177035843 134294081 /nfs/dbraw/zinc/29/40/81/134294081.db2.gz KMRGEGQVSRFYHO-CHWSQXEVSA-N 1 0 240.391 2.365 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]CC(=O)N2CCCC2)c1 ZINC000134798801 358806361 /nfs/dbraw/zinc/80/63/61/358806361.db2.gz HRRFWFPQCHZTLW-CYBMUJFWSA-N 1 0 246.354 2.268 10 0 BEAERO CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000135514177 358842081 /nfs/dbraw/zinc/84/20/81/358842081.db2.gz GAJSZAWOFBENPD-QWHCGFSZSA-N 1 0 240.391 2.317 10 0 BEAERO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)CO)c1 ZINC000135753750 358849138 /nfs/dbraw/zinc/84/91/38/358849138.db2.gz UWLMNTYMGNRQBZ-WOPDTQHZSA-N 1 0 237.343 2.363 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]([C@@H]2CCCSC2)SC1 ZINC000306150608 358872927 /nfs/dbraw/zinc/87/29/27/358872927.db2.gz DHEMKTQGVNWGFL-OPRDCNLKSA-N 1 0 217.403 2.428 10 0 BEAERO CCN1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000040502108 358897286 /nfs/dbraw/zinc/89/72/86/358897286.db2.gz QVROZKFBOVETRJ-GFCCVEGCSA-N 1 0 224.373 2.322 10 0 BEAERO CS[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000300360395 358976926 /nfs/dbraw/zinc/97/69/26/358976926.db2.gz XYRUZXNBUUGVLT-GARJFASQSA-N 1 0 215.362 2.039 10 0 BEAERO C[C@H]1CSCCN1C(=[NH2+])NCc1ccccc1 ZINC000306155936 358947225 /nfs/dbraw/zinc/94/72/25/358947225.db2.gz LPKUMUJONMAANW-NSHDSACASA-N 1 0 249.383 2.148 10 0 BEAERO COC1([C@H]([NH3+])c2cc(C)ns2)CCC1 ZINC000306156956 358947938 /nfs/dbraw/zinc/94/79/38/358947938.db2.gz CVEWIJOQGIBTAY-SECBINFHSA-N 1 0 212.318 2.020 10 0 BEAERO Cc1cc([C@@H]([NH3+])[C@@H]2CCCS2)sn1 ZINC000306158836 358952185 /nfs/dbraw/zinc/95/21/85/358952185.db2.gz DNJCZBOLGBENPU-CBAPKCEASA-N 1 0 214.359 2.347 10 0 BEAERO [NH3+]CC1(Cc2ncccc2Br)CC1 ZINC000306200472 359028485 /nfs/dbraw/zinc/02/84/85/359028485.db2.gz UADQVZIGEQJRPQ-UHFFFAOYSA-N 1 0 241.132 2.126 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Br)cn1 ZINC000069938794 359036688 /nfs/dbraw/zinc/03/66/88/359036688.db2.gz OAULTFZNJXCAPY-XCBNKYQSSA-N 1 0 241.132 2.342 10 0 BEAERO [NH3+][C@@H](c1ccsn1)[C@H]1CCCCS1 ZINC000306184749 359002813 /nfs/dbraw/zinc/00/28/13/359002813.db2.gz FBOIDNVUBFRSKC-BDAKNGLRSA-N 1 0 214.359 2.429 10 0 BEAERO C[C@H]1CC[N@H+](Cc2cc[nH]c2)C[C@H]1n1ccnc1 ZINC000246435449 359084404 /nfs/dbraw/zinc/08/44/04/359084404.db2.gz NDKNSLMEBJESOY-GXTWGEPZSA-N 1 0 244.342 2.294 10 0 BEAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000246470287 359109658 /nfs/dbraw/zinc/10/96/58/359109658.db2.gz ZRIAZPDUBXZUCJ-KCQAQPDRSA-N 1 0 247.386 2.461 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC(C)C ZINC000246964603 359178476 /nfs/dbraw/zinc/17/84/76/359178476.db2.gz NCRSKODIOFINOW-STQMWFEESA-N 1 0 238.375 2.118 10 0 BEAERO COCCOCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000246989686 359181403 /nfs/dbraw/zinc/18/14/03/359181403.db2.gz KEKHMIKTZIJABD-UKRRQHHQSA-N 1 0 249.354 2.342 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000247129097 359196189 /nfs/dbraw/zinc/19/61/89/359196189.db2.gz QDGXPFUEQZJIPY-DCAQKATOSA-N 1 0 222.336 2.137 10 0 BEAERO CCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247056547 359190994 /nfs/dbraw/zinc/19/09/94/359190994.db2.gz ILPHOXCSAQHMTE-NEPJUHHUSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@H]1[C@H]([NH3+])CCCN1CC=C(Cl)Cl ZINC000403452170 359138561 /nfs/dbraw/zinc/13/85/61/359138561.db2.gz GGNLVJUWFXIUKB-JGVFFNPUSA-N 1 0 223.147 2.117 10 0 BEAERO Cc1cc(C)nc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000246721487 359158895 /nfs/dbraw/zinc/15/88/95/359158895.db2.gz ADWMHJVGKQMHBN-MFKMUULPSA-N 1 0 248.374 2.234 10 0 BEAERO Cc1cc(C)nc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000246721510 359159027 /nfs/dbraw/zinc/15/90/27/359159027.db2.gz ADWMHJVGKQMHBN-ZWNOBZJWSA-N 1 0 248.374 2.234 10 0 BEAERO CC(C)[C@H](C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246809482 359166307 /nfs/dbraw/zinc/16/63/07/359166307.db2.gz DGCQFKRURZBIBG-RWMBFGLXSA-N 1 0 240.391 2.123 10 0 BEAERO Cn1cc([C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cn1 ZINC000247571294 359235314 /nfs/dbraw/zinc/23/53/14/359235314.db2.gz WSRVHQJUPLIXGZ-GXTWGEPZSA-N 1 0 231.343 2.318 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCCC1 ZINC000247203976 359200066 /nfs/dbraw/zinc/20/00/66/359200066.db2.gz LTEQZTJVWQWMJF-OCCSQVGLSA-N 1 0 222.376 2.345 10 0 BEAERO CCC[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247286766 359209180 /nfs/dbraw/zinc/20/91/80/359209180.db2.gz KPNANEFQAQQMBJ-XQQFMLRXSA-N 1 0 240.391 2.268 10 0 BEAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H]3CCCO3)C2)c1 ZINC000247372387 359216719 /nfs/dbraw/zinc/21/67/19/359216719.db2.gz UUFJOKAYXUBXFD-ZIAGYGMSSA-N 1 0 249.358 2.007 10 0 BEAERO C[NH2+][C@@H]1CC[C@@](C)(c2cc(C)ns2)C1 ZINC000306200656 359289502 /nfs/dbraw/zinc/28/95/02/359289502.db2.gz JTJXPXDUZCHGOM-MWLCHTKSSA-N 1 0 210.346 2.481 10 0 BEAERO O[C@]1(c2ccc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000306203634 359293296 /nfs/dbraw/zinc/29/32/96/359293296.db2.gz RMRGUISXLNZGNG-OAHLLOKOSA-N 1 0 242.322 2.108 10 0 BEAERO [NH3+][C@@H]1C[C@@H]1c1cc(F)cc(Br)c1 ZINC000306214020 359315172 /nfs/dbraw/zinc/31/51/72/359315172.db2.gz XWEICBDMQSPFSJ-RKDXNWHRSA-N 1 0 230.080 2.403 10 0 BEAERO CCN1CC[C@H]([NH3+])[C@H]1c1csc(C)c1 ZINC000306221336 359347599 /nfs/dbraw/zinc/34/75/99/359347599.db2.gz JKFHHVGGLYFXIV-WDEREUQCSA-N 1 0 210.346 2.151 10 0 BEAERO Cc1ccc([C@](C)(O)[C@H](C)[NH3+])cc1Cl ZINC000306245353 359429065 /nfs/dbraw/zinc/42/90/65/359429065.db2.gz NSABCZKQUGOVIY-GZMMTYOYSA-N 1 0 213.708 2.203 10 0 BEAERO [NH3+][C@H]1CCO[C@H]1c1ccsc1Cl ZINC000306260378 359478777 /nfs/dbraw/zinc/47/87/77/359478777.db2.gz UIUQRVJYLGHMTQ-BQBZGAKWSA-N 1 0 203.694 2.190 10 0 BEAERO F[C@@H](c1ccsn1)[C@@H]1CCC[NH2+]C1 ZINC000306254571 359459251 /nfs/dbraw/zinc/45/92/51/359459251.db2.gz QKZAIXHMATUOBN-VXNVDRBHSA-N 1 0 200.282 2.153 10 0 BEAERO Cc1ccc([C@@]2(C[NH3+])CCCS2)nc1 ZINC000306255046 359460144 /nfs/dbraw/zinc/46/01/44/359460144.db2.gz OOPQLYNSTSWGDH-NSHDSACASA-N 1 0 208.330 2.071 10 0 BEAERO C[C@@H]([NH3+])[C@H](O)c1cc(Cl)sc1Cl ZINC000306255168 359460237 /nfs/dbraw/zinc/46/02/37/359460237.db2.gz MGDRREHPQRDDMG-CVYQJGLWSA-N 1 0 226.128 2.436 10 0 BEAERO C[C@@H]1CCC(=O)[C@@H]([C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000130319299 359496846 /nfs/dbraw/zinc/49/68/46/359496846.db2.gz XBAIJERVMDLYMS-KKOKHZNYSA-N 1 0 209.333 2.380 10 0 BEAERO C[C@@H]1C[N@@H+](C2CCSCC2)CCS1 ZINC000306283450 359516919 /nfs/dbraw/zinc/51/69/19/359516919.db2.gz ISFSZXUIEGKKAA-SECBINFHSA-N 1 0 217.403 2.319 10 0 BEAERO CC[NH2+]CCCNc1ccncc1Cl ZINC000086839712 359541576 /nfs/dbraw/zinc/54/15/76/359541576.db2.gz CAPYHXABMWZOPA-UHFFFAOYSA-N 1 0 213.712 2.147 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(CO)CC1 ZINC000308962711 491141360 /nfs/dbraw/zinc/14/13/60/491141360.db2.gz SKTRBEBDPZRAAF-VXGBXAGGSA-N 1 0 211.349 2.317 10 0 BEAERO C[C@H]1CCC[C@@H](CC(=O)c2ccoc2)[NH2+]1 ZINC000130368236 359664012 /nfs/dbraw/zinc/66/40/12/359664012.db2.gz ORNPPFMIYUWDKW-ONGXEEELSA-N 1 0 207.273 2.383 10 0 BEAERO [NH3+]Cc1c(Br)cccc1N1CCC1 ZINC000306368677 359699088 /nfs/dbraw/zinc/69/90/88/359699088.db2.gz KPSHWJPFENPGKK-UHFFFAOYSA-N 1 0 241.132 2.118 10 0 BEAERO C[NH2+]C(C)(C)C(=O)c1ccc(C)c(C)c1 ZINC000169187672 359701085 /nfs/dbraw/zinc/70/10/85/359701085.db2.gz TVLKYQBKPCTHDP-UHFFFAOYSA-N 1 0 205.301 2.484 10 0 BEAERO Cc1ccsc1C[NH2+]CCc1c[nH]cn1 ZINC000045946402 359746190 /nfs/dbraw/zinc/74/61/90/359746190.db2.gz AKIYPEKQEIZHNL-UHFFFAOYSA-N 1 0 221.329 2.112 10 0 BEAERO C[C@H]([NH3+])c1cc2c(cc1Br)OCC2 ZINC000306411139 359818493 /nfs/dbraw/zinc/81/84/93/359818493.db2.gz OENXZGJMLMGVQE-LURJTMIESA-N 1 0 242.116 2.404 10 0 BEAERO C[C@@H]1SCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000231347175 359859976 /nfs/dbraw/zinc/85/99/76/359859976.db2.gz ZLSMFWBLMSFGQS-AEJSXWLSSA-N 1 0 217.403 2.366 10 0 BEAERO CC(C)c1cc(N[C@@H](C)CCC[NH3+])ncn1 ZINC000087362219 359908403 /nfs/dbraw/zinc/90/84/03/359908403.db2.gz SERIWUIKYIKYHS-JTQLQIEISA-N 1 0 222.336 2.139 10 0 BEAERO CC(C)c1cc(N[C@H](C)CCC[NH3+])ncn1 ZINC000087362220 359908630 /nfs/dbraw/zinc/90/86/30/359908630.db2.gz SERIWUIKYIKYHS-SNVBAGLBSA-N 1 0 222.336 2.139 10 0 BEAERO CC[C@H]([NH2+][C@H]1CN(CC)C[C@H]1C)C1CC1 ZINC000309171498 491145848 /nfs/dbraw/zinc/14/58/48/491145848.db2.gz LKUKINDZXYCEHO-WXHSDQCUSA-N 1 0 210.365 2.105 10 0 BEAERO CC[C@H]1CCSC(N[C@H]2CCSC2)=[NH+]1 ZINC000231359896 359914990 /nfs/dbraw/zinc/91/49/90/359914990.db2.gz VSYYQRVZJXNFKU-IUCAKERBSA-N 1 0 230.402 2.353 10 0 BEAERO CC1CCC(C[NH2+][C@H]2CCC(=O)N(C)C2)CC1 ZINC000089577162 360027739 /nfs/dbraw/zinc/02/77/39/360027739.db2.gz KEABELVPOHDGGB-BPCQOVAHSA-N 1 0 238.375 2.023 10 0 BEAERO [NH3+]CC[C@@H](F)c1cc(F)cc(F)c1F ZINC000306474438 360111679 /nfs/dbraw/zinc/11/16/79/360111679.db2.gz VYRTZEKKJDQUJA-SSDOTTSWSA-N 1 0 207.170 2.463 10 0 BEAERO CC(C)([NH3+])[C@H](O)c1ccsc1Cl ZINC000306474744 360113761 /nfs/dbraw/zinc/11/37/61/360113761.db2.gz WFKLZLWJCVOLDX-ZCFIWIBFSA-N 1 0 205.710 2.172 10 0 BEAERO CC[C@@H](C)C[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000091796475 360130707 /nfs/dbraw/zinc/13/07/07/360130707.db2.gz DZHLATFNBNEIOG-SNVBAGLBSA-N 1 0 239.363 2.215 10 0 BEAERO [NH3+][C@@H](c1ccc[nH]1)c1cncc(Cl)c1 ZINC000306490656 360206397 /nfs/dbraw/zinc/20/63/97/360206397.db2.gz ZDXWGJSZURBHSD-SNVBAGLBSA-N 1 0 207.664 2.111 10 0 BEAERO CC[C@H](C)C[NH2+][C@H]1CCCn2c(C)nnc21 ZINC000093079929 360215294 /nfs/dbraw/zinc/21/52/94/360215294.db2.gz UIZSFFBQYPWYGA-ONGXEEELSA-N 1 0 222.336 2.057 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309440416 491148283 /nfs/dbraw/zinc/14/82/83/491148283.db2.gz IIDFVMYKBQJBBO-IHRRRGAJSA-N 1 0 222.376 2.249 10 0 BEAERO CC[C@@H]1C[C@]1([NH3+])c1ncccc1Br ZINC000133348520 360283335 /nfs/dbraw/zinc/28/33/35/360283335.db2.gz NZSFFWIJHCSJKT-GMSGAONNSA-N 1 0 241.132 2.428 10 0 BEAERO OC[C@]1(Cc2sccc2Cl)CCC[NH2+]1 ZINC000306517321 360344560 /nfs/dbraw/zinc/34/45/60/360344560.db2.gz AFHDTISYDSECSR-SNVBAGLBSA-N 1 0 231.748 2.059 10 0 BEAERO C[C@H]1C[NH+](Cc2ccnc(Cl)n2)C[C@@H]1C ZINC000306518787 360345423 /nfs/dbraw/zinc/34/54/23/360345423.db2.gz HNARMNRUJFLIMS-IUCAKERBSA-N 1 0 225.723 2.218 10 0 BEAERO c1ccc([C@@H]2C[C@H]2N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000094449232 360308976 /nfs/dbraw/zinc/30/89/76/360308976.db2.gz KTGJQFLNFRYMSM-OWCLPIDISA-N 1 0 242.366 2.323 10 0 BEAERO C[C@H](CCC[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000094948109 360328382 /nfs/dbraw/zinc/32/83/82/360328382.db2.gz YXQSVMYKMAXAEV-SSDOTTSWSA-N 1 0 248.252 2.035 10 0 BEAERO C[C@H]([NH3+])c1cncn1[C@@H](C)C(C)(F)F ZINC000306521579 360359720 /nfs/dbraw/zinc/35/97/20/360359720.db2.gz NHVYLSSMWSVWLY-BQBZGAKWSA-N 1 0 203.236 2.119 10 0 BEAERO C[C@@H]1CCN(C(=[NH2+])NCc2ccccc2)[C@@H]1C ZINC000306565144 360443741 /nfs/dbraw/zinc/44/37/41/360443741.db2.gz XJMSFMLDDWNNIR-VXGBXAGGSA-N 1 0 231.343 2.441 10 0 BEAERO COc1cc(-c2ccc(C[NH3+])s2)sn1 ZINC000306543910 360413500 /nfs/dbraw/zinc/41/35/00/360413500.db2.gz TZHJCFNTOXCFGC-UHFFFAOYSA-N 1 0 226.326 2.339 10 0 BEAERO CC[C@]1([C@H]2CCOC2)[NH2+][C@H](C)CCS1 ZINC000306545441 360414206 /nfs/dbraw/zinc/41/42/06/360414206.db2.gz VXDIKEWZBNMVPI-VWYCJHECSA-N 1 0 215.362 2.244 10 0 BEAERO CCn1cnc([C@H]([NH3+])c2cccs2)c1 ZINC000306551131 360424577 /nfs/dbraw/zinc/42/45/77/360424577.db2.gz ZTGKLXOBVDQOFS-JTQLQIEISA-N 1 0 207.302 2.013 10 0 BEAERO C[C@@H]1CC[N@H+](CC(=O)C(C)(C)C)CCS1 ZINC000306553198 360426403 /nfs/dbraw/zinc/42/64/03/360426403.db2.gz KXXUQSZSTRGXBN-SNVBAGLBSA-N 1 0 229.389 2.429 10 0 BEAERO [NH3+][C@@H](C[C@H]1CCOC1)c1sccc1F ZINC000306586397 360484926 /nfs/dbraw/zinc/48/49/26/360484926.db2.gz RIFZWSMFKXXUSQ-APPZFPTMSA-N 1 0 215.293 2.314 10 0 BEAERO CN1CC[C@@H]([NH3+])[C@H]1c1ccsc1Cl ZINC000306588411 360491974 /nfs/dbraw/zinc/49/19/74/360491974.db2.gz NJWKRBXXIFAUDZ-HTQZYQBOSA-N 1 0 216.737 2.105 10 0 BEAERO C[C@@H]1C[C@@H](NC(=[NH2+])C(C)(C)C)CS1 ZINC000306588004 360492044 /nfs/dbraw/zinc/49/20/44/360492044.db2.gz SSJMKTJHRNEJAG-HTQZYQBOSA-N 1 0 200.351 2.493 10 0 BEAERO [NH3+][C@H]1CCC[C@@](F)(c2ccns2)C1 ZINC000306589360 360494177 /nfs/dbraw/zinc/49/41/77/360494177.db2.gz UGQAKBYXBIBTPW-CBAPKCEASA-N 1 0 200.282 2.209 10 0 BEAERO C[C@@H](NC(N)=[NH2+])c1c(F)cccc1Cl ZINC000306575799 360464982 /nfs/dbraw/zinc/46/49/82/360464982.db2.gz JVUNPTYSINTSLW-RXMQYKEDSA-N 1 0 215.659 2.023 10 0 BEAERO COC[C@H](CC(C)C)[NH2+]Cc1ccccn1 ZINC000309478559 491149415 /nfs/dbraw/zinc/14/94/15/491149415.db2.gz SIHQYSGZOYCNJJ-ZDUSSCGKSA-N 1 0 222.332 2.232 10 0 BEAERO [NH3+][C@@H](c1cccs1)c1cccnc1F ZINC000306594429 360513018 /nfs/dbraw/zinc/51/30/18/360513018.db2.gz XJOBEHIINHDRLW-SECBINFHSA-N 1 0 208.261 2.330 10 0 BEAERO C[C@@H]1CC[C@@](F)(c2ccns2)C[NH2+]1 ZINC000306597767 360519421 /nfs/dbraw/zinc/51/94/21/360519421.db2.gz ZVDIBQYJFKGFTN-APPZFPTMSA-N 1 0 200.282 2.080 10 0 BEAERO CC1(C)CCC[N@H+](C[C@@H]2CCCC2=O)C1 ZINC000069793869 360556140 /nfs/dbraw/zinc/55/61/40/360556140.db2.gz HFTFEKQGLDDUPE-NSHDSACASA-N 1 0 209.333 2.478 10 0 BEAERO C[C@H](CC(N)=S)[N@@H+]1CCCC(C)(C)C1 ZINC000069793337 360556494 /nfs/dbraw/zinc/55/64/94/360556494.db2.gz AIGQZLIULOCQRK-SECBINFHSA-N 1 0 214.378 2.173 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000309549239 491151072 /nfs/dbraw/zinc/15/10/72/491151072.db2.gz HPPNCCRSBDAXGO-GDPRMGEGSA-N 1 0 240.372 2.406 10 0 BEAERO Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cn1 ZINC000153819282 360779402 /nfs/dbraw/zinc/77/94/02/360779402.db2.gz QMNQMCPMKFRRJT-AWEZNQCLSA-N 1 0 234.343 2.127 10 0 BEAERO COc1cc(Cl)cc2c1OCC[C@@H]2[NH3+] ZINC000238334358 360884293 /nfs/dbraw/zinc/88/42/93/360884293.db2.gz HYPCZPWEOVDYDI-QMMMGPOBSA-N 1 0 213.664 2.131 10 0 BEAERO COc1cccc(C[NH3+])c1OC(F)(F)F ZINC000238370308 360950424 /nfs/dbraw/zinc/95/04/24/360950424.db2.gz XYOKZIPKEAUEOZ-UHFFFAOYSA-N 1 0 221.178 2.053 10 0 BEAERO [NH3+]C/C=C(/F)COc1ccc(F)c(F)c1 ZINC000084759610 181323945 /nfs/dbraw/zinc/32/39/45/181323945.db2.gz WASPRTQJQMWTAE-XVNBXDOJSA-N 1 0 217.190 2.156 10 0 BEAERO Cc1ccc(N[C@H]2CC[C@@H]([NH3+])CC2)nc1 ZINC000238523642 361139517 /nfs/dbraw/zinc/13/95/17/361139517.db2.gz KGUPPGJJMAALPA-XYPYZODXSA-N 1 0 205.305 2.072 10 0 BEAERO [NH3+]C1(c2cc(F)cc(F)c2F)CCC1 ZINC000238561924 361153374 /nfs/dbraw/zinc/15/33/74/361153374.db2.gz DKOSTDSERLOJSX-UHFFFAOYSA-N 1 0 201.191 2.442 10 0 BEAERO [NH3+]Cc1cc(Cl)ncc1OC(F)(F)F ZINC000238657933 361171726 /nfs/dbraw/zinc/17/17/26/361171726.db2.gz FMGIXRSEMCIFAH-UHFFFAOYSA-N 1 0 226.585 2.092 10 0 BEAERO C[C@@]([NH3+])(c1nc2c(s1)CCC2)C1CC1 ZINC000041060152 361240949 /nfs/dbraw/zinc/24/09/49/361240949.db2.gz BCQJQAOGLBNGRY-NSHDSACASA-N 1 0 208.330 2.216 10 0 BEAERO Cc1c[nH+]ccc1-n1cc(Br)cn1 ZINC000070047716 361385759 /nfs/dbraw/zinc/38/57/59/361385759.db2.gz HCCZJHIDKMTSQO-UHFFFAOYSA-N 1 0 238.088 2.338 10 0 BEAERO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163178306 361389629 /nfs/dbraw/zinc/38/96/29/361389629.db2.gz FKZKMIAMKZYGPU-XQQFMLRXSA-N 1 0 211.349 2.412 10 0 BEAERO [NH3+]C1(c2cncc(F)c2)Cc2ccccc2C1 ZINC000049575975 181334887 /nfs/dbraw/zinc/33/48/87/181334887.db2.gz NJCRTWXGPQPJMV-UHFFFAOYSA-N 1 0 228.270 2.174 10 0 BEAERO [NH2+]=C1N[C@H](c2ccco2)Nc2ccccc21 ZINC000013493536 181338931 /nfs/dbraw/zinc/33/89/31/181338931.db2.gz RIOVUWRMOKFDQS-GFCCVEGCSA-N 1 0 213.240 2.109 10 0 BEAERO [NH2+]=C1N[C@@H](c2ccco2)Cc2ccccc21 ZINC000003959791 181338890 /nfs/dbraw/zinc/33/88/90/181338890.db2.gz MHTRUYAUQNWPBC-LLVKDONJSA-N 1 0 212.252 2.282 10 0 BEAERO [NH2+]=C1N[C@H](c2ccco2)Cc2ccsc21 ZINC000025978701 181339493 /nfs/dbraw/zinc/33/94/93/181339493.db2.gz WAOKDGZAIYAHLD-QMMMGPOBSA-N 1 0 218.281 2.344 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000309975089 491159203 /nfs/dbraw/zinc/15/92/03/491159203.db2.gz SCYQNWHKTVGTAA-SGMGOOAPSA-N 1 0 224.392 2.495 10 0 BEAERO CC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1CC ZINC000310036232 491159781 /nfs/dbraw/zinc/15/97/81/491159781.db2.gz UIRZVRJOFBQUOL-CYZMBNFOSA-N 1 0 226.364 2.022 10 0 BEAERO Clc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005590 361635254 /nfs/dbraw/zinc/63/52/54/361635254.db2.gz FABFXSPMPHOXOD-UHFFFAOYSA-N 1 0 221.691 2.353 10 0 BEAERO [NH3+]C1CCC(Oc2ccc(F)cc2)CC1 ZINC000055144000 181342668 /nfs/dbraw/zinc/34/26/68/181342668.db2.gz PQOUJGMSVPGFRX-UHFFFAOYSA-N 1 0 209.264 2.474 10 0 BEAERO [NH3+]C1CCC(S(=O)(=O)C2CCCCC2)CC1 ZINC000055143933 181342437 /nfs/dbraw/zinc/34/24/37/181342437.db2.gz MTYJZKAYXRVTIN-UHFFFAOYSA-N 1 0 245.388 2.004 10 0 BEAERO [NH3+]C1CCC(Oc2ncnc3ccccc32)CC1 ZINC000055143420 181342548 /nfs/dbraw/zinc/34/25/48/181342548.db2.gz OXVUUXAGDJRZGW-UHFFFAOYSA-N 1 0 243.310 2.279 10 0 BEAERO Cc1cc([C@@H]2OCC[C@@H]2C[NH3+])c(C)s1 ZINC000070627218 361680289 /nfs/dbraw/zinc/68/02/89/361680289.db2.gz PVXDWXSBBYRLKU-MWLCHTKSSA-N 1 0 211.330 2.401 10 0 BEAERO CCc1ccc([C@H]2OCC[C@@H]2C[NH3+])s1 ZINC000070627229 361680978 /nfs/dbraw/zinc/68/09/78/361680978.db2.gz JUINODXZCFSOSX-KCJUWKMLSA-N 1 0 211.330 2.347 10 0 BEAERO [NH3+]C1CCN(c2cc(F)cc(F)c2F)CC1 ZINC000061118232 181344979 /nfs/dbraw/zinc/34/49/79/181344979.db2.gz FXKBJWGUKHETMK-UHFFFAOYSA-N 1 0 230.233 2.031 10 0 BEAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cn1 ZINC000156011343 201379825 /nfs/dbraw/zinc/37/98/25/201379825.db2.gz KYUGZYYKLVFHBF-UONOGXRCSA-N 1 0 234.343 2.031 10 0 BEAERO Cn1cncc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000289724029 541307006 /nfs/dbraw/zinc/30/70/06/541307006.db2.gz JVADEMQRWBCUOP-JQWIXIFHSA-N 1 0 225.311 2.038 10 0 BEAERO CC1(C)CC[N@H+](Cc2ccc(C=O)o2)C1 ZINC000161291384 363984475 /nfs/dbraw/zinc/98/44/75/363984475.db2.gz OVJYFSUVOBDCMM-UHFFFAOYSA-N 1 0 207.273 2.324 10 0 BEAERO COC1(OC)CCC(C)(C)C[C@H]1CC[NH3+] ZINC000725262092 541335256 /nfs/dbraw/zinc/33/52/56/541335256.db2.gz VFIFMRQJNMKGJS-SNVBAGLBSA-N 1 0 215.337 2.151 10 0 BEAERO CCCC[N@H+](CCO)[C@H]1CCOC12CCCC2 ZINC000725263820 541337213 /nfs/dbraw/zinc/33/72/13/541337213.db2.gz LVWYLGAQYRRZRT-ZDUSSCGKSA-N 1 0 241.375 2.183 10 0 BEAERO C[C@H](C(=O)NC[C@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000725268994 541338530 /nfs/dbraw/zinc/33/85/30/541338530.db2.gz AYVUMRHHUXGHGB-VXGBXAGGSA-N 1 0 240.391 2.317 10 0 BEAERO CC(C)[NH2+]CCCNc1nccc2ccccc21 ZINC000630509468 364195092 /nfs/dbraw/zinc/19/50/92/364195092.db2.gz ZFAXXAJUEWGPKD-UHFFFAOYSA-N 1 0 243.354 2.457 10 0 BEAERO [NH3+]CC1(C(=O)NCCC2CCCC2)CCCC1 ZINC000044763083 181359104 /nfs/dbraw/zinc/35/91/04/181359104.db2.gz DOFKGVZDELBILX-UHFFFAOYSA-N 1 0 238.375 2.202 10 0 BEAERO Brc1cncc(C[C@@H]2CCC[NH2+]2)c1 ZINC000161645117 370747445 /nfs/dbraw/zinc/74/74/45/370747445.db2.gz KQDOGAMSDZDHJJ-JTQLQIEISA-N 1 0 241.132 2.139 10 0 BEAERO Cc1cc(C(C)C)nc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630532154 364219990 /nfs/dbraw/zinc/21/99/90/364219990.db2.gz FFGGYUHUBBFUKH-JQWIXIFHSA-N 1 0 248.374 2.461 10 0 BEAERO C[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C(F)(F)F)n1 ZINC000630546166 364241623 /nfs/dbraw/zinc/24/16/23/364241623.db2.gz UHFMOZAJWRQKPU-JGVFFNPUSA-N 1 0 245.248 2.263 10 0 BEAERO CCc1csc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630549985 364243819 /nfs/dbraw/zinc/24/38/19/364243819.db2.gz RNNHYEIBNTUFQX-SNVBAGLBSA-N 1 0 239.388 2.413 10 0 BEAERO CCc1cc(N2CCCCC[C@@H]([NH3+])C2)nc(C)n1 ZINC000630548963 364246530 /nfs/dbraw/zinc/24/65/30/364246530.db2.gz LAKLQBUPQABICB-GFCCVEGCSA-N 1 0 248.374 2.055 10 0 BEAERO [NH3+]CC1(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000077337663 181359485 /nfs/dbraw/zinc/35/94/85/181359485.db2.gz VACQUGKZEMZGCA-UHFFFAOYSA-N 1 0 224.691 2.017 10 0 BEAERO C[C@H]1CC[C@H](Nc2ncnc3ccsc32)C[NH2+]1 ZINC000630533785 364226135 /nfs/dbraw/zinc/22/61/35/364226135.db2.gz RHESHPZUFPGXKC-IUCAKERBSA-N 1 0 248.355 2.244 10 0 BEAERO [NH3+]CC1(OC[C@H]2CCOC2)CCCCCC1 ZINC000050501360 181361974 /nfs/dbraw/zinc/36/19/74/181361974.db2.gz HQQVNLFVQTXYOD-LBPRGKRZSA-N 1 0 227.348 2.091 10 0 BEAERO [NH3+]CC1(OC[C@@H]2CCOC2)CCCCCC1 ZINC000050501359 181361230 /nfs/dbraw/zinc/36/12/30/181361230.db2.gz HQQVNLFVQTXYOD-GFCCVEGCSA-N 1 0 227.348 2.091 10 0 BEAERO [NH3+]CC1(c2cccc(C(F)(F)F)n2)CC1 ZINC000082370017 181363196 /nfs/dbraw/zinc/36/31/96/181363196.db2.gz UWHRBHFKGHFJJB-UHFFFAOYSA-N 1 0 216.206 2.091 10 0 BEAERO C[C@@H](CCCO)[NH2+]C[C@]1(C)CCCS1 ZINC000134581223 541357724 /nfs/dbraw/zinc/35/77/24/541357724.db2.gz YRZHAVGYAKVFCP-QWRGUYRKSA-N 1 0 217.378 2.023 10 0 BEAERO C[C@H](CCCO)[NH2+]C[C@@]1(C)CCCS1 ZINC000134581282 541358173 /nfs/dbraw/zinc/35/81/73/541358173.db2.gz YRZHAVGYAKVFCP-GHMZBOCLSA-N 1 0 217.378 2.023 10 0 BEAERO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCSC1 ZINC000134805961 364414140 /nfs/dbraw/zinc/41/41/40/364414140.db2.gz MKTYBAJANGBSPE-NWDGAFQWSA-N 1 0 230.421 2.202 10 0 BEAERO COCCC1(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000134815188 364415422 /nfs/dbraw/zinc/41/54/22/364415422.db2.gz OWAASZDYDQBABU-LLVKDONJSA-N 1 0 229.389 2.288 10 0 BEAERO C[C@@H](CO)[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000134853083 541360112 /nfs/dbraw/zinc/36/01/12/541360112.db2.gz ZIIYIAAGTUJYCB-MROQNXINSA-N 1 0 213.365 2.419 10 0 BEAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1(C)C ZINC000085385020 541366185 /nfs/dbraw/zinc/36/61/85/541366185.db2.gz DFSRWLCJXYDVOD-MROQNXINSA-N 1 0 241.375 2.083 10 0 BEAERO [NH3+]CCC(=O)Nc1ccc2sccc2c1 ZINC000037019140 181368528 /nfs/dbraw/zinc/36/85/28/181368528.db2.gz DTMYXBFGNJCLMG-UHFFFAOYSA-N 1 0 220.297 2.189 10 0 BEAERO [NH3+]CCC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000037764307 181368958 /nfs/dbraw/zinc/36/89/58/181368958.db2.gz IDWHOKQCDVMQPX-UHFFFAOYSA-N 1 0 247.323 2.097 10 0 BEAERO CC(C)=CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248357014 364628890 /nfs/dbraw/zinc/62/88/90/364628890.db2.gz PAGXCEORVJFZDY-ZDUSSCGKSA-N 1 0 208.349 2.123 10 0 BEAERO [NH3+]CCC(=O)c1cc2cccc(F)c2o1 ZINC000082933611 181370766 /nfs/dbraw/zinc/37/07/66/181370766.db2.gz WNHFWPRSQWFWOF-UHFFFAOYSA-N 1 0 207.204 2.103 10 0 BEAERO [NH3+]CCC(=O)Nc1ccc(Cl)c2cccnc12 ZINC000037764566 181369474 /nfs/dbraw/zinc/36/94/74/181369474.db2.gz AWSBZUHIIILKFA-UHFFFAOYSA-N 1 0 249.701 2.176 10 0 BEAERO Cc1cc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)on1 ZINC000252662501 364749794 /nfs/dbraw/zinc/74/97/94/364749794.db2.gz ZUDUXFXBBWLIJM-OLZOCXBDSA-N 1 0 249.358 2.042 10 0 BEAERO Nc1ccc(C(CC[NH3+])c2ccc(N)cc2)cc1 ZINC000038869035 181370731 /nfs/dbraw/zinc/37/07/31/181370731.db2.gz IZDCLFSHSWUDGY-UHFFFAOYSA-N 1 0 241.338 2.332 10 0 BEAERO CC(C)(O)CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296679347 364785730 /nfs/dbraw/zinc/78/57/30/364785730.db2.gz LGYWGXJESVZEBU-GFCCVEGCSA-N 1 0 235.327 2.130 10 0 BEAERO [NH3+]CCCC(=O)Nc1ccccc1C(F)(F)F ZINC000011755388 181373815 /nfs/dbraw/zinc/37/38/15/181373815.db2.gz HTBPEQYAMOFCTH-UHFFFAOYSA-N 1 0 246.232 2.383 10 0 BEAERO [NH3+]CCCCCOc1ccc2c(c1)CCC(=O)N2 ZINC000049582118 181375262 /nfs/dbraw/zinc/37/52/62/181375262.db2.gz FTDYDJYHOUVADG-UHFFFAOYSA-N 1 0 248.326 2.079 10 0 BEAERO CC1(C[N@@H+]2CCCO[C@H](CF)C2)CCC1 ZINC000334636877 541415919 /nfs/dbraw/zinc/41/59/19/541415919.db2.gz GXOXDFZCDUCDQU-LLVKDONJSA-N 1 0 215.312 2.237 10 0 BEAERO [NH3+]CCCCOc1cc(F)ccc1F ZINC000070819773 181378894 /nfs/dbraw/zinc/37/88/94/181378894.db2.gz OVPZISFWNZSNCP-UHFFFAOYSA-N 1 0 201.216 2.083 10 0 BEAERO [NH3+]CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000042373159 181383199 /nfs/dbraw/zinc/38/31/99/181383199.db2.gz NNMMOYHBBYWRAL-ZDUSSCGKSA-N 1 0 204.317 2.076 10 0 BEAERO [NH3+]CCCN[C@@H](c1ccco1)c1ccccc1 ZINC000037713349 181383950 /nfs/dbraw/zinc/38/39/50/181383950.db2.gz SMDQKBWLNVEWIN-CQSZACIVSA-N 1 0 230.311 2.307 10 0 BEAERO [NH3+]CCCOc1ccccc1C(F)(F)F ZINC000022168854 181384487 /nfs/dbraw/zinc/38/44/87/181384487.db2.gz CEKYVBNREOHQJO-UHFFFAOYSA-N 1 0 219.206 2.433 10 0 BEAERO [NH3+]CCCOc1ccc(OC(F)F)cc1 ZINC000041229488 181384541 /nfs/dbraw/zinc/38/45/41/181384541.db2.gz GPIYEFJERXOBTE-UHFFFAOYSA-N 1 0 217.215 2.016 10 0 BEAERO [NH3+]CCCOc1cc(Br)ccc1F ZINC000083256803 181384991 /nfs/dbraw/zinc/38/49/91/181384991.db2.gz GJKSCZSTJKIKBQ-UHFFFAOYSA-N 1 0 248.095 2.316 10 0 BEAERO [NH3+]CCCOc1cccc(OC(F)F)c1 ZINC000041229490 181385023 /nfs/dbraw/zinc/38/50/23/181385023.db2.gz QMDWFUIGATZKJB-UHFFFAOYSA-N 1 0 217.215 2.016 10 0 BEAERO [NH3+]CCCc1noc(C2CCCCC2)n1 ZINC000019682223 181388482 /nfs/dbraw/zinc/38/84/82/181388482.db2.gz ZXLZVUSRUAANCN-UHFFFAOYSA-N 1 0 209.293 2.009 10 0 BEAERO [NH3+]CCCc1noc(-c2ccccc2Cl)n1 ZINC000019682258 181388701 /nfs/dbraw/zinc/38/87/01/181388701.db2.gz AJSRCLIFUUZPPT-UHFFFAOYSA-N 1 0 237.690 2.281 10 0 BEAERO [NH3+]CCN(c1ccc(Cl)cn1)C1CCCC1 ZINC000053706135 181390043 /nfs/dbraw/zinc/39/00/43/181390043.db2.gz UGZLVLACFRZQEN-UHFFFAOYSA-N 1 0 239.750 2.443 10 0 BEAERO NCC[N@H+](C[C@H]1CCCCO1)C1CCCCC1 ZINC000104303609 181390236 /nfs/dbraw/zinc/39/02/36/181390236.db2.gz ASJSJCQOBRIRNE-CQSZACIVSA-N 1 0 240.391 2.149 10 0 BEAERO [NH3+]CCCN(C[C@H]1CCCCO1)c1ccccc1 ZINC000036230872 181380228 /nfs/dbraw/zinc/38/02/28/181380228.db2.gz ZPGPXGGNMAUKBS-OAHLLOKOSA-N 1 0 248.370 2.411 10 0 BEAERO [NH3+]CCSc1nccc(-c2cccs2)n1 ZINC000002538416 181402984 /nfs/dbraw/zinc/40/29/84/181402984.db2.gz OUTOKROXMPEFHR-UHFFFAOYSA-N 1 0 237.353 2.256 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCCc3occc32)C1 ZINC000169216715 365099543 /nfs/dbraw/zinc/09/95/43/365099543.db2.gz MGEHNEPRKWYHBS-RTYFJBAXSA-N 1 0 221.300 2.018 10 0 BEAERO [NH3+]CCNc1cc(Cl)ccc1Cl ZINC000019732760 181397139 /nfs/dbraw/zinc/39/71/39/181397139.db2.gz BTZFIYSZNRKUET-UHFFFAOYSA-N 1 0 205.088 2.364 10 0 BEAERO [NH3+]CCNc1nc2ccc(Cl)cc2s1 ZINC000062201959 181398386 /nfs/dbraw/zinc/39/83/86/181398386.db2.gz FAODDDOETNDBJM-UHFFFAOYSA-N 1 0 227.720 2.320 10 0 BEAERO [NH3+]CCNc1cccc(Cl)c1Cl ZINC000019732764 181398696 /nfs/dbraw/zinc/39/86/96/181398696.db2.gz CMAZUWKGYYTYJA-UHFFFAOYSA-N 1 0 205.088 2.364 10 0 BEAERO [NH3+]CCOCCSc1ccc(Cl)cc1 ZINC000057519983 181398869 /nfs/dbraw/zinc/39/88/69/181398869.db2.gz GTRPUECHSXVUDY-UHFFFAOYSA-N 1 0 231.748 2.407 10 0 BEAERO [NH3+]CCOCCc1ccccc1C(F)(F)F ZINC000057953749 181399267 /nfs/dbraw/zinc/39/92/67/181399267.db2.gz ALXYQFWKDJANPO-UHFFFAOYSA-N 1 0 233.233 2.223 10 0 BEAERO [NH3+]CCOCc1ccc(Br)cc1F ZINC000051864516 181399648 /nfs/dbraw/zinc/39/96/48/181399648.db2.gz XXKXKDMOHDTBFS-UHFFFAOYSA-N 1 0 248.095 2.064 10 0 BEAERO [NH3+]CC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000074367356 181403273 /nfs/dbraw/zinc/40/32/73/181403273.db2.gz GQHPYGIQUXNUQV-SECBINFHSA-N 1 0 220.099 2.376 10 0 BEAERO [NH3+]CC[C@@H]1C(=O)Nc2ccc(C(F)(F)F)cc21 ZINC000094658020 181404471 /nfs/dbraw/zinc/40/44/71/181404471.db2.gz STJAXSNXYDRMEB-ZETCQYMHSA-N 1 0 244.216 2.090 10 0 BEAERO [NH3+]CCc1c(Br)[nH]c2ccccc21 ZINC000091695882 181411137 /nfs/dbraw/zinc/41/11/37/181411137.db2.gz HESJZXOBRLYTEX-UHFFFAOYSA-N 1 0 239.116 2.432 10 0 BEAERO [NH3+]CCc1ccc(CNc2ccc(F)cn2)cc1 ZINC000052899480 181411892 /nfs/dbraw/zinc/41/18/92/181411892.db2.gz KGBKLRAGYPRSAM-UHFFFAOYSA-N 1 0 245.301 2.334 10 0 BEAERO [NH3+]CCc1ccccc1OC[C@@H]1CCCCO1 ZINC000037720423 181412766 /nfs/dbraw/zinc/41/27/66/181412766.db2.gz MZYGFDDYSSZLTP-ZDUSSCGKSA-N 1 0 235.327 2.136 10 0 BEAERO [NH3+]CCc1nnc(-c2ccc(Cl)s2)s1 ZINC000082552639 181414506 /nfs/dbraw/zinc/41/45/06/181414506.db2.gz JDBXCTARUMMXCK-UHFFFAOYSA-N 1 0 245.760 2.421 10 0 BEAERO [NH3+]C[C@@H](CO)c1ccc(Cl)cc1Cl ZINC000071522147 181418577 /nfs/dbraw/zinc/41/85/77/181418577.db2.gz JZCVQGDVGULYCO-LURJTMIESA-N 1 0 220.099 2.028 10 0 BEAERO [NH3+]C[C@@H](O)CSc1ccc2ccccc2c1 ZINC000035676519 181422703 /nfs/dbraw/zinc/42/27/03/181422703.db2.gz QYIGBDSRLJCQPK-GFCCVEGCSA-N 1 0 233.336 2.252 10 0 BEAERO c1coc([C@@H]2CCCN2Cc2ncccn2)c1 ZINC000192028849 365270244 /nfs/dbraw/zinc/27/02/44/365270244.db2.gz SUMVSCVLSJLTJI-NSHDSACASA-N 1 0 229.283 2.407 10 0 BEAERO CCc1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)n1C ZINC000173806530 365446359 /nfs/dbraw/zinc/44/63/59/365446359.db2.gz OSXGTXUDHQCHRN-RYUDHWBXSA-N 1 0 248.374 2.142 10 0 BEAERO C[C@@H]([NH3+])[C@@H]1COc2c(Cl)cccc2C1 ZINC000675063744 541465663 /nfs/dbraw/zinc/46/56/63/541465663.db2.gz NDCRIQUYSLUTOK-APPZFPTMSA-N 1 0 211.692 2.238 10 0 BEAERO C[C@H]([NH3+])[C@@H]1COc2c(Cl)cccc2C1 ZINC000675063745 541465677 /nfs/dbraw/zinc/46/56/77/541465677.db2.gz NDCRIQUYSLUTOK-CBAPKCEASA-N 1 0 211.692 2.238 10 0 BEAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C2CC2)n1C ZINC000183061937 366973043 /nfs/dbraw/zinc/97/30/43/366973043.db2.gz SHYNYFMHLUBDKX-ZJUUUORDSA-N 1 0 236.363 2.217 10 0 BEAERO CCC[NH2+]Cc1nc(CN(C)C2CC2)cs1 ZINC000052445100 541514137 /nfs/dbraw/zinc/51/41/37/541514137.db2.gz PGGOBBNAVLLMOB-UHFFFAOYSA-N 1 0 239.388 2.237 10 0 BEAERO CCC[C@@H](C)c1cc2n(n1)[C@H](C[NH3+])CCN2 ZINC000233285566 541509026 /nfs/dbraw/zinc/50/90/26/541509026.db2.gz BTCVQYVTSMELOD-ZJUUUORDSA-N 1 0 222.336 2.102 10 0 BEAERO Cc1cc(N)ccc1CC1CC[NH2+]CC1 ZINC000116746405 370826404 /nfs/dbraw/zinc/82/64/04/370826404.db2.gz PSCZWKKNUWEPFE-UHFFFAOYSA-N 1 0 204.317 2.119 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000380376297 367195339 /nfs/dbraw/zinc/19/53/39/367195339.db2.gz IKFWATXFPWELRU-QWHCGFSZSA-N 1 0 243.391 2.284 10 0 BEAERO CCn1c(C)nnc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195008937 367332400 /nfs/dbraw/zinc/33/24/00/367332400.db2.gz SWDKACFNDKUPDY-PHIMTYICSA-N 1 0 236.363 2.084 10 0 BEAERO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000195117006 367339661 /nfs/dbraw/zinc/33/96/61/367339661.db2.gz YKGHXTDLALTKGJ-LLVKDONJSA-N 1 0 236.363 2.228 10 0 BEAERO COC[C@H](C)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000381487715 367418167 /nfs/dbraw/zinc/41/81/67/367418167.db2.gz VZMZNBNUARSEME-WOPDTQHZSA-N 1 0 229.364 2.062 10 0 BEAERO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1C[C@H]1CO ZINC000382148555 367491218 /nfs/dbraw/zinc/49/12/18/367491218.db2.gz OTWIJEHCSIZZHG-ZMLRMANQSA-N 1 0 225.357 2.040 10 0 BEAERO Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382185578 367495339 /nfs/dbraw/zinc/49/53/39/367495339.db2.gz BPLVOZODKDPKHV-CPOMMVLXSA-N 1 0 221.304 2.217 10 0 BEAERO Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCOC1 ZINC000381621254 367440236 /nfs/dbraw/zinc/44/02/36/367440236.db2.gz ZSLRGICEVMNHOV-XHVZSJERSA-N 1 0 221.275 2.060 10 0 BEAERO CCc1nc(C)c(C[NH2+]C[C@H](O)C(C)(C)C)o1 ZINC000383020449 367586677 /nfs/dbraw/zinc/58/66/77/367586677.db2.gz QONZQEQNMFGXGT-NSHDSACASA-N 1 0 240.347 2.042 10 0 BEAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384878335 367749523 /nfs/dbraw/zinc/74/95/23/367749523.db2.gz JKFRKXIOPKTKES-AAVRWANBSA-N 1 0 242.407 2.118 10 0 BEAERO Cc1cc(F)ccc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000385107648 367792904 /nfs/dbraw/zinc/79/29/04/367792904.db2.gz CJWNWCGHJUHALP-RISCZKNCSA-N 1 0 237.318 2.479 10 0 BEAERO CCNC(=[NH2+])[C@@H]1SCCS[C@H]1CC ZINC000252719089 367827701 /nfs/dbraw/zinc/82/77/01/367827701.db2.gz GWSLYTKDHVQHPC-JGVFFNPUSA-N 1 0 218.391 2.200 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]CCC1(F)CCC1 ZINC000581812267 367829351 /nfs/dbraw/zinc/82/93/51/367829351.db2.gz QQLCHLDGFUIASQ-GFCCVEGCSA-N 1 0 247.354 2.036 10 0 BEAERO C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000386100820 367912561 /nfs/dbraw/zinc/91/25/61/367912561.db2.gz HZJCAZICQYFWFF-IJLUTSLNSA-N 1 0 240.391 2.173 10 0 BEAERO CC(C)[C@H]([NH3+])[C@@H]1SCCS[C@H]1C ZINC000252721037 367893728 /nfs/dbraw/zinc/89/37/28/367893728.db2.gz MNKBIFWTIQJYGT-XHNCKOQMSA-N 1 0 205.392 2.207 10 0 BEAERO C[NH+]1CCC([C@@H](O)c2cccc(Cl)n2)CC1 ZINC000034433961 368369437 /nfs/dbraw/zinc/36/94/37/368369437.db2.gz KOXYPGOLNFBYMN-GFCCVEGCSA-N 1 0 240.734 2.110 10 0 BEAERO Cc1noc(/C=C2\C[NH+]3CCC2CC3)c1C ZINC000038145679 368325333 /nfs/dbraw/zinc/32/53/33/368325333.db2.gz AUMOEFBGJSMWBX-KPKJPENVSA-N 1 0 218.300 2.400 10 0 BEAERO CCN(Cc1ccc(C)o1)C1CC[NH2+]CC1 ZINC000037469491 169905234 /nfs/dbraw/zinc/90/52/34/169905234.db2.gz RHIXVNLSTCMOJM-UHFFFAOYSA-N 1 0 222.332 2.162 10 0 BEAERO [NH3+][C@H](CO)Cc1cccc(Oc2ccccc2)c1 ZINC000044463716 368331950 /nfs/dbraw/zinc/33/19/50/368331950.db2.gz VSUOEOUCQWOMDX-ZDUSSCGKSA-N 1 0 243.306 2.341 10 0 BEAERO COc1cccc([C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC000138697022 368390682 /nfs/dbraw/zinc/39/06/82/368390682.db2.gz HJNMSNZVROLPNP-DRZSPHRISA-N 1 0 203.285 2.018 10 0 BEAERO [NH3+]C[C@@H]1CC[C@@H](COC2CCCCCC2)O1 ZINC000052671394 181435855 /nfs/dbraw/zinc/43/58/55/181435855.db2.gz KWCKCYMYTCINME-STQMWFEESA-N 1 0 227.348 2.232 10 0 BEAERO CC(C)CC1([NH+]2CCNCC2)CCCC1 ZINC000107151272 368467208 /nfs/dbraw/zinc/46/72/08/368467208.db2.gz VEJSGZKHMRLZGT-UHFFFAOYSA-N 1 0 210.365 2.251 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](COC2CCCCCC2)O1 ZINC000052671396 181435869 /nfs/dbraw/zinc/43/58/69/181435869.db2.gz KWCKCYMYTCINME-QWHCGFSZSA-N 1 0 227.348 2.232 10 0 BEAERO CC(C)=CC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058910930 368524606 /nfs/dbraw/zinc/52/46/06/368524606.db2.gz HHPKYYJUWCQTMQ-UHFFFAOYSA-N 1 0 236.359 2.039 10 0 BEAERO CC1=C[C@@H](C)C(=O)N(CCC[NH+](C)C)C(C)=C1 ZINC000002039339 368741592 /nfs/dbraw/zinc/74/15/92/368741592.db2.gz MJDPXTVTSLCLLC-GFCCVEGCSA-N 1 0 236.359 2.267 10 0 BEAERO CC(C)C[C@H](C[NH3+])Nc1ncnc2ccccc21 ZINC000111377082 368857219 /nfs/dbraw/zinc/85/72/19/368857219.db2.gz JMYBBFJJDHEMBY-LLVKDONJSA-N 1 0 244.342 2.415 10 0 BEAERO CC[NH+](CC)CCNC(=O)N[C@H](C)C(C)(C)C ZINC000112430823 368872371 /nfs/dbraw/zinc/87/23/71/368872371.db2.gz OBLHSXMFQKGOOQ-LLVKDONJSA-N 1 0 243.395 2.062 10 0 BEAERO CCOC(=O)CC[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000090981414 368949279 /nfs/dbraw/zinc/94/92/79/368949279.db2.gz GPSXFVFQPHUABL-ZDUSSCGKSA-N 1 0 247.338 2.211 10 0 BEAERO CC(C)[C@H](C1=[NH+]CCN1)c1ccccc1 ZINC000114912956 368958123 /nfs/dbraw/zinc/95/81/23/368958123.db2.gz NYIKJUAPZRUFMX-LBPRGKRZSA-N 1 0 202.301 2.428 10 0 BEAERO CC(C)(C)N1c2ccccc2NC[C@H]1CC[NH3+] ZINC000616586812 369096833 /nfs/dbraw/zinc/09/68/33/369096833.db2.gz XNJLLKFEUXDAAG-LLVKDONJSA-N 1 0 233.359 2.434 10 0 BEAERO [NH3+][C@@]1(c2cccc(Br)c2)CCOC1 ZINC000105638710 369060643 /nfs/dbraw/zinc/06/06/43/369060643.db2.gz XLHVFJWPJVTGMG-JTQLQIEISA-N 1 0 242.116 2.023 10 0 BEAERO [NH3+]C[C@H](c1ccccc1F)n1cc(Cl)cn1 ZINC000043046289 181454578 /nfs/dbraw/zinc/45/45/78/181454578.db2.gz QSKGQDZPSYSWML-LLVKDONJSA-N 1 0 239.681 2.224 10 0 BEAERO [NH3+]C[C@@H]1c2ccsc2-c2ncccc21 ZINC000082782863 181469201 /nfs/dbraw/zinc/46/92/01/181469201.db2.gz GYVFNIRZRAKXPV-VIFPVBQESA-N 1 0 202.282 2.214 10 0 BEAERO CC[C@@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000106883612 369214954 /nfs/dbraw/zinc/21/49/54/369214954.db2.gz NHMGBJCEJUELRX-LLVKDONJSA-N 1 0 204.317 2.034 10 0 BEAERO Oc1cccc2[nH]cc(C3CC[NH2+]CC3)c21 ZINC000108257436 369383922 /nfs/dbraw/zinc/38/39/22/369383922.db2.gz UQSOCYAWPXFWQJ-UHFFFAOYSA-N 1 0 216.284 2.341 10 0 BEAERO C([NH2+]C1(C2CCC2)CCC1)[C@@H]1CCCO1 ZINC000459776070 203366235 /nfs/dbraw/zinc/36/62/35/203366235.db2.gz QQYRTLKBSBUXKF-LBPRGKRZSA-N 1 0 209.333 2.478 10 0 BEAERO CCCNC(=O)[C@@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000459782057 203366836 /nfs/dbraw/zinc/36/68/36/203366836.db2.gz XEIGKIRLRLYKDM-LLVKDONJSA-N 1 0 238.375 2.214 10 0 BEAERO [NH3+]Cc1ccc(F)c(COc2cccnc2)c1 ZINC000035727432 181483661 /nfs/dbraw/zinc/48/36/61/181483661.db2.gz DOHHTRMMQQRCCI-UHFFFAOYSA-N 1 0 232.258 2.258 10 0 BEAERO [NH3+]Cc1ccc(F)c(-c2cncc(F)c2)c1 ZINC000049576687 181483757 /nfs/dbraw/zinc/48/37/57/181483757.db2.gz OGDZFOCQMPXDAF-UHFFFAOYSA-N 1 0 220.222 2.486 10 0 BEAERO [NH3+]Cc1cccc(CN2CCCCCCC2=O)c1 ZINC000019402926 181488199 /nfs/dbraw/zinc/48/81/99/181488199.db2.gz LTTSCQKJHFCTRQ-UHFFFAOYSA-N 1 0 246.354 2.438 10 0 BEAERO [NH2+]=C(NCc1ccccc1)NCC1CCCC1 ZINC000066244736 370091255 /nfs/dbraw/zinc/09/12/55/370091255.db2.gz PLBFXEYXSWYBES-UHFFFAOYSA-N 1 0 231.343 2.491 10 0 BEAERO Cc1cc(C[N@@H+]2CCC[C@H]2CCCO)ccn1 ZINC000621254257 370186257 /nfs/dbraw/zinc/18/62/57/370186257.db2.gz NOWKIRXMNPNAGT-AWEZNQCLSA-N 1 0 234.343 2.127 10 0 BEAERO COc1cc(N)ccc1C1CC[NH+](C)CC1 ZINC000113477507 370415614 /nfs/dbraw/zinc/41/56/14/370415614.db2.gz UEJUZUHEZCJWQJ-UHFFFAOYSA-N 1 0 220.316 2.087 10 0 BEAERO C[C@@H]1C[C@H]1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000255373559 370507294 /nfs/dbraw/zinc/50/72/94/370507294.db2.gz INLSVMPZQMNKLL-MRVWCRGKSA-N 1 0 246.354 2.062 10 0 BEAERO C[C@@H]([NH3+])c1cnc(-c2nccs2)s1 ZINC000161602315 370567590 /nfs/dbraw/zinc/56/75/90/370567590.db2.gz CXIICBKPSUNCDI-RXMQYKEDSA-N 1 0 211.315 2.286 10 0 BEAERO CCCCN(CC)C(=O)[C@@H]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000055125639 168794463 /nfs/dbraw/zinc/79/44/63/168794463.db2.gz KBCNHEWFTVENMK-YNEHKIRRSA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2CO)C1 ZINC000378679206 371015336 /nfs/dbraw/zinc/01/53/36/371015336.db2.gz TWTOOZBNXFLJLU-YVECIDJPSA-N 1 0 211.349 2.172 10 0 BEAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000092052820 371078092 /nfs/dbraw/zinc/07/80/92/371078092.db2.gz NDKHNGAJTAXILL-UKRRQHHQSA-N 1 0 248.370 2.058 10 0 BEAERO Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000623871538 371135658 /nfs/dbraw/zinc/13/56/58/371135658.db2.gz HGPIQNRNQQCWJI-DCAQKATOSA-N 1 0 240.372 2.406 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CC[C@@H]1c1cncs1 ZINC000161793565 371170630 /nfs/dbraw/zinc/17/06/30/371170630.db2.gz CAXDZBGKRWANRP-UWVGGRQHSA-N 1 0 210.346 2.492 10 0 BEAERO [NH3+][C@@H](c1cccc(F)c1)c1cncc(F)c1 ZINC000049576153 181564193 /nfs/dbraw/zinc/56/41/93/181564193.db2.gz DDVOKZICNQVHJZ-LBPRGKRZSA-N 1 0 220.222 2.408 10 0 BEAERO [NH3+][C@@H]1CCCN(c2nsc3ccccc32)C1 ZINC000095072334 181579553 /nfs/dbraw/zinc/57/95/53/181579553.db2.gz LPDHKGVWKWLLGL-SECBINFHSA-N 1 0 233.340 2.224 10 0 BEAERO [NH3+][C@@H]1CCN(Cc2ccccc2)[C@H]1C(F)(F)F ZINC000096985688 181588045 /nfs/dbraw/zinc/58/80/45/181588045.db2.gz HDUBOHGADCCQLF-GHMZBOCLSA-N 1 0 244.260 2.151 10 0 BEAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1c(F)cccc1Cl ZINC000076688020 181589848 /nfs/dbraw/zinc/58/98/48/181589848.db2.gz OUNREVSFGGIAJG-QPUJVOFHSA-N 1 0 243.709 2.385 10 0 BEAERO [NH3+][C@@H]1CCc2[nH]c3c(cccc3F)c2C1 ZINC000071477434 181594338 /nfs/dbraw/zinc/59/43/38/181594338.db2.gz DYEZWYZRZASRSP-SSDOTTSWSA-N 1 0 204.248 2.123 10 0 BEAERO [NH3+][C@H](Cc1cccc(F)c1)c1cccnc1 ZINC000037992505 181626020 /nfs/dbraw/zinc/62/60/20/181626020.db2.gz AFZKKDDDGXYOMO-CYBMUJFWSA-N 1 0 216.259 2.463 10 0 BEAERO [NH3+][C@H](Cc1cccs1)[C@H]1CCCOC1 ZINC000062236979 181627093 /nfs/dbraw/zinc/62/70/93/181627093.db2.gz NHXXVKMDJMHTPB-GXSJLCMTSA-N 1 0 211.330 2.045 10 0 BEAERO [NH3+][C@H]1CCc2ncc(C(F)(F)F)cc21 ZINC000082913482 181655323 /nfs/dbraw/zinc/65/53/23/181655323.db2.gz QGWPRRAQSVVDOI-ZETCQYMHSA-N 1 0 202.179 2.046 10 0 BEAERO [NH3+][C@H](c1ccoc1)c1ccc2[nH]c(=O)oc2c1 ZINC000035381900 181635451 /nfs/dbraw/zinc/63/54/51/181635451.db2.gz NTHQBERDZYFHMT-NSHDSACASA-N 1 0 230.223 2.175 10 0 BEAERO [NH3+][C@H]1CCCC[C@H]1n1ccc(C(F)(F)F)n1 ZINC000043298417 181642482 /nfs/dbraw/zinc/64/24/82/181642482.db2.gz QVGXGVIDXLEPAS-JGVFFNPUSA-N 1 0 233.237 2.344 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1c1nc(Cc2ccccc2)no1 ZINC000104055924 181647609 /nfs/dbraw/zinc/64/76/09/181647609.db2.gz NCFYSBBXWFRULO-RYUDHWBXSA-N 1 0 243.310 2.255 10 0 BEAERO [NH3+][C@H]1CCCc2cccc(Cl)c2[C@@H]1O ZINC000019795490 181649217 /nfs/dbraw/zinc/64/92/17/181649217.db2.gz WGKKLMBVYZACAX-GXSJLCMTSA-N 1 0 211.692 2.037 10 0 BEAERO [NH3+][C@H]1CCOC[C@H]1Cc1c(F)cccc1Cl ZINC000076688008 181652710 /nfs/dbraw/zinc/65/27/10/181652710.db2.gz OUNREVSFGGIAJG-PELKAZGASA-N 1 0 243.709 2.385 10 0 BEAERO [NH3+][C@H]1CCO[C@@H](c2ccc(Cl)cc2)OC1 ZINC000028877507 181652909 /nfs/dbraw/zinc/65/29/09/181652909.db2.gz RZLBFMKXXONPNU-WDEREUQCSA-N 1 0 227.691 2.103 10 0 BEAERO [NH3+][C@H]1c2c(Cl)cc(Cl)cc2CC[C@H]1O ZINC000039941509 181660945 /nfs/dbraw/zinc/66/09/45/181660945.db2.gz QASZXAAVJFJJSX-PSASIEDQSA-N 1 0 232.110 2.300 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)c(C)c1 ZINC000624235947 371423758 /nfs/dbraw/zinc/42/37/58/371423758.db2.gz SSQVYRUWLWVJIV-CFVMTHIKSA-N 1 0 249.354 2.104 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624239194 371428760 /nfs/dbraw/zinc/42/87/60/371428760.db2.gz GACYTEMONHSDPC-RFGFWPKPSA-N 1 0 241.375 2.085 10 0 BEAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624239231 371429155 /nfs/dbraw/zinc/42/91/55/371429155.db2.gz GQOXLXJHDDWZPO-XQQFMLRXSA-N 1 0 241.375 2.085 10 0 BEAERO Nc1ccccc1NC(=O)CCC[NH+]1CCCC1 ZINC000022152895 181755756 /nfs/dbraw/zinc/75/57/56/181755756.db2.gz VWFOFDWCJOQLIQ-UHFFFAOYSA-N 1 0 247.342 2.083 10 0 BEAERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000631080572 371496824 /nfs/dbraw/zinc/49/68/24/371496824.db2.gz ZTWFSPPRTPCFAY-JSGCOSHPSA-N 1 0 237.318 2.385 10 0 BEAERO CC(C)[C@H]1C[NH2+]CC[C@H]1c1cncs1 ZINC000161793914 371565623 /nfs/dbraw/zinc/56/56/23/371565623.db2.gz CAXDZBGKRWANRP-NXEZZACHSA-N 1 0 210.346 2.492 10 0 BEAERO F[C@@H]([C@H]1CCC[NH2+]C1)C(F)(F)Br ZINC000225684336 371565740 /nfs/dbraw/zinc/56/57/40/371565740.db2.gz XWVOTDKBUJQUMX-WDSKDSINSA-N 1 0 246.070 2.312 10 0 BEAERO [NH3+][C@@H]1CC[C@H]1Cc1ccc(Br)cn1 ZINC000161918771 371580997 /nfs/dbraw/zinc/58/09/97/371580997.db2.gz VXKUYMPVLBNKOH-OIBJUYFYSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)c2ccco2)C1 ZINC000226467905 371671646 /nfs/dbraw/zinc/67/16/46/371671646.db2.gz YMVMJVGFOHEHMT-BXKDBHETSA-N 1 0 207.273 2.370 10 0 BEAERO [NH3+][C@@H]1CCC[C@@H]1Oc1nc(Cl)cs1 ZINC000131659140 371643440 /nfs/dbraw/zinc/64/34/40/371643440.db2.gz URKUKFJLTJFQRX-RITPCOANSA-N 1 0 218.709 2.055 10 0 BEAERO C[C@@]1(C(=O)Cc2ccsc2)CCC[NH2+]C1 ZINC000226340435 371648639 /nfs/dbraw/zinc/64/86/39/371648639.db2.gz AEZGACCKPTXFIK-GFCCVEGCSA-N 1 0 223.341 2.249 10 0 BEAERO CC(C)(C)[C@H]([NH3+])CNCc1ccccc1 ZINC000162653773 371741595 /nfs/dbraw/zinc/74/15/95/371741595.db2.gz JJWWNURPAGGVFU-GFCCVEGCSA-N 1 0 206.333 2.150 10 0 BEAERO CC(C)([NH3+])CC(=O)c1cc(F)cc(F)c1 ZINC000226504270 371686070 /nfs/dbraw/zinc/68/60/70/371686070.db2.gz ADGCIOYZVNBZEX-UHFFFAOYSA-N 1 0 213.227 2.275 10 0 BEAERO [NH3+][C@H]1C=C[C@H](C(=O)CC2CCCCC2)C1 ZINC000226564516 371698162 /nfs/dbraw/zinc/69/81/62/371698162.db2.gz LPJBDRMPOJXVKA-RYUDHWBXSA-N 1 0 207.317 2.429 10 0 BEAERO Cc1ccc(C(=O)C2(C[NH3+])CCC2)s1 ZINC000226790847 371744778 /nfs/dbraw/zinc/74/47/78/371744778.db2.gz KLDQWDDLMSHMLJ-UHFFFAOYSA-N 1 0 209.314 2.368 10 0 BEAERO CNC(=[NH2+])Nc1cccc(C)c1Br ZINC000132189863 371762554 /nfs/dbraw/zinc/76/25/54/371762554.db2.gz IAMKFCWGKHNOFD-UHFFFAOYSA-N 1 0 242.120 2.324 10 0 BEAERO c1cc(S[C@H]2CCCC[NH2+]C2)ccn1 ZINC000132183412 371763603 /nfs/dbraw/zinc/76/36/03/371763603.db2.gz YGVWCSBLKZKOKB-NSHDSACASA-N 1 0 208.330 2.316 10 0 BEAERO [NH3+]CCN[C@@H]1CCCc2sc(Cl)cc21 ZINC000132276917 371783285 /nfs/dbraw/zinc/78/32/85/371783285.db2.gz FIUDPGLCOSRHJK-MRVPVSSYSA-N 1 0 230.764 2.327 10 0 BEAERO Cc1sccc1[C@H]([NH3+])[C@H]1CSCCO1 ZINC000227798816 371939930 /nfs/dbraw/zinc/93/99/30/371939930.db2.gz COIXJCCHQBVZLW-ZJUUUORDSA-N 1 0 229.370 2.188 10 0 BEAERO CCCCN(Cc1ccc(C)cc1C)C(=O)C[NH3+] ZINC000076634845 168820714 /nfs/dbraw/zinc/82/07/14/168820714.db2.gz QZQIPJFANFOVOC-UHFFFAOYSA-N 1 0 248.370 2.391 10 0 BEAERO CCC[NH2+]C[C@H](CC)NC(=O)OC(C)(C)C ZINC000227715535 371925479 /nfs/dbraw/zinc/92/54/79/371925479.db2.gz NMANVWFGJAZIRZ-JTQLQIEISA-N 1 0 230.352 2.289 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000306147898 371991517 /nfs/dbraw/zinc/99/15/17/371991517.db2.gz AFNDOSIJVONGNY-JXUBOQSCSA-N 1 0 203.326 2.361 10 0 BEAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000306147902 371991522 /nfs/dbraw/zinc/99/15/22/371991522.db2.gz AFNDOSIJVONGNY-XKNYDFJKSA-N 1 0 203.326 2.361 10 0 BEAERO Cc1sccc1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000227881002 371955339 /nfs/dbraw/zinc/95/53/39/371955339.db2.gz HDLTZMJJDHXQIJ-NXEZZACHSA-N 1 0 209.314 2.367 10 0 BEAERO CNC(=[NH2+])c1ccc(F)cc1Br ZINC000228316096 372016116 /nfs/dbraw/zinc/01/61/16/372016116.db2.gz CDLHSUNMEMUONU-UHFFFAOYSA-N 1 0 231.068 2.133 10 0 BEAERO Cc1ccc(Br)c2c1OCC[NH2+]C2 ZINC000228395623 372024003 /nfs/dbraw/zinc/02/40/03/372024003.db2.gz OKYXHLCEJRVIOP-UHFFFAOYSA-N 1 0 242.116 2.240 10 0 BEAERO CC[C@H]1C[C@]1([NH3+])c1ccc(Br)cn1 ZINC000133350368 372028453 /nfs/dbraw/zinc/02/84/53/372028453.db2.gz YJKWBIDIDHFNNE-OIBJUYFYSA-N 1 0 241.132 2.428 10 0 BEAERO C[C@@H](C[NH3+])Cc1coc(Br)c1 ZINC000306676267 372054287 /nfs/dbraw/zinc/05/42/87/372054287.db2.gz VRUFBKCHHWDNSB-ZCFIWIBFSA-N 1 0 218.094 2.179 10 0 BEAERO CNc1cc(Br)c(C[NH3+])cc1F ZINC000306699685 372056752 /nfs/dbraw/zinc/05/67/52/372056752.db2.gz FCISZNPQGODIBX-UHFFFAOYSA-N 1 0 233.084 2.089 10 0 BEAERO Cc1ccsc1[C@H]1C[NH2+][C@@H](C)CCO1 ZINC000133811767 372115412 /nfs/dbraw/zinc/11/54/12/372115412.db2.gz IIVXIJOBRRSRDD-VHSXEESVSA-N 1 0 211.330 2.496 10 0 BEAERO CC[NH2+][C@]1(c2nccs2)CC[C@H]2C[C@H]21 ZINC000306822309 372071148 /nfs/dbraw/zinc/07/11/48/372071148.db2.gz NBFKNZGSLIHHQQ-IQJOONFLSA-N 1 0 208.330 2.378 10 0 BEAERO C[C@@H]1CCSC(NCc2nccs2)=[NH+]1 ZINC000133557402 372072985 /nfs/dbraw/zinc/07/29/85/372072985.db2.gz BYJBAAOBRSZPDE-SSDOTTSWSA-N 1 0 227.358 2.114 10 0 BEAERO CC[C@@H](NC(N)=[NH2+])c1ccccc1Cl ZINC000306876867 372074922 /nfs/dbraw/zinc/07/49/22/372074922.db2.gz BYXYPJQHXLVVDG-SECBINFHSA-N 1 0 211.696 2.274 10 0 BEAERO c1ncn(Cc2ccccc2)c1[C@@H]1CCC[NH2+]1 ZINC000228742695 372075957 /nfs/dbraw/zinc/07/59/57/372075957.db2.gz NNCMDASUAHEHDU-ZDUSSCGKSA-N 1 0 227.311 2.356 10 0 BEAERO [NH3+]Cc1cccc(COCc2ccccc2)n1 ZINC000228757386 372077299 /nfs/dbraw/zinc/07/72/99/372077299.db2.gz PMQXHTGCLSAQDJ-UHFFFAOYSA-N 1 0 228.295 2.257 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1cc(F)c(F)cc1F ZINC000228763336 372079350 /nfs/dbraw/zinc/07/93/50/372079350.db2.gz HYQOSLCTPVTJNR-SNVBAGLBSA-N 1 0 247.216 2.057 10 0 BEAERO C[C@H]1CSC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307160782 372089104 /nfs/dbraw/zinc/08/91/04/372089104.db2.gz FCLUGKNIPQLQCA-CMPLNLGQSA-N 1 0 249.383 2.052 10 0 BEAERO CCNC(=[NH2+])Nc1ccsc1Cl ZINC000307456419 372122599 /nfs/dbraw/zinc/12/25/99/372122599.db2.gz YCJHSPRKXJTJIU-UHFFFAOYSA-N 1 0 203.698 2.358 10 0 BEAERO C(NC1=[NH+]CCCS1)C1CCSCC1 ZINC000229318180 372140875 /nfs/dbraw/zinc/14/08/75/372140875.db2.gz IEEJHARWEVUKOC-UHFFFAOYSA-N 1 0 230.402 2.212 10 0 BEAERO CC1(C)[C@H]([NH3+])C[C@]1(F)c1ccns1 ZINC000405299019 372151036 /nfs/dbraw/zinc/15/10/36/372151036.db2.gz QYUGICMLJHMYDA-MUWHJKNJSA-N 1 0 200.282 2.065 10 0 BEAERO COc1ccsc1[C@@H]1CC[NH2+]C[C@H]1C ZINC000229543072 372163017 /nfs/dbraw/zinc/16/30/17/372163017.db2.gz NVFBCEQSEFVIOI-RKDXNWHRSA-N 1 0 211.330 2.470 10 0 BEAERO C[C@H]1C[C@@](C)(CO)C[N@@H+]1Cc1ccccc1 ZINC000164577218 372167155 /nfs/dbraw/zinc/16/71/55/372167155.db2.gz ZNOPMPNKAXGTMO-GXTWGEPZSA-N 1 0 219.328 2.279 10 0 BEAERO C[C@H]1C[C@](C)(CO)C[N@@H+]1Cc1ccccc1 ZINC000164577472 372167284 /nfs/dbraw/zinc/16/72/84/372167284.db2.gz ZNOPMPNKAXGTMO-JSGCOSHPSA-N 1 0 219.328 2.279 10 0 BEAERO C[C@H](CC[NH3+])Nc1ncc(Cl)cc1F ZINC000134267718 372189761 /nfs/dbraw/zinc/18/97/61/372189761.db2.gz IPIKECKMCRYZRR-ZCFIWIBFSA-N 1 0 217.675 2.023 10 0 BEAERO C[C@H]1CN(Cc2ccsc2Cl)C[C@@H]1C[NH3+] ZINC000631837159 372627581 /nfs/dbraw/zinc/62/75/81/372627581.db2.gz NOTOHMCBKYUKHK-WPRPVWTQSA-N 1 0 244.791 2.428 10 0 BEAERO C[C@@H]1CN(Cc2sccc2Cl)C[C@@H]1C[NH3+] ZINC000631838239 372631579 /nfs/dbraw/zinc/63/15/79/372631579.db2.gz KXVFGOCPKIAJHS-BDAKNGLRSA-N 1 0 244.791 2.428 10 0 BEAERO FC1(F)CCCC[C@H]1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631852234 372651131 /nfs/dbraw/zinc/65/11/31/372651131.db2.gz HUKHHXDLFLCWFV-SDDRHHMPSA-N 1 0 244.329 2.248 10 0 BEAERO O=C(C[C@@H]1CCCC[NH2+]1)N1CCCCCCC1 ZINC000020597537 182016954 /nfs/dbraw/zinc/01/69/54/182016954.db2.gz AOEULFQDPIPVQD-ZDUSSCGKSA-N 1 0 238.375 2.311 10 0 BEAERO O=C(C[C@H]1CCC[NH2+]1)OC1CCCCCC1 ZINC000042164276 182028431 /nfs/dbraw/zinc/02/84/31/182028431.db2.gz BJQKZGFPJDPRHZ-LLVKDONJSA-N 1 0 225.332 2.395 10 0 BEAERO O=C(C[C@H]1CC[NH2+]C1)Nc1cccc2[nH]ccc21 ZINC000127999043 182029517 /nfs/dbraw/zinc/02/95/17/182029517.db2.gz SHLRFDOFCSTACC-SNVBAGLBSA-N 1 0 243.310 2.106 10 0 BEAERO Cc1cc(C[NH2+][C@H]2CCCN(C)C2)cc(C)c1O ZINC000040672616 373590830 /nfs/dbraw/zinc/59/08/30/373590830.db2.gz SZTLMEKOSMRTAR-AWEZNQCLSA-N 1 0 248.370 2.193 10 0 BEAERO CCCCNC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339513826 168855395 /nfs/dbraw/zinc/85/53/95/168855395.db2.gz VXJZHQHMZMUHLA-LLVKDONJSA-N 1 0 226.364 2.069 10 0 BEAERO CC[C@@H](C)[NH2+]C/C=C\CNC(=O)OC(C)(C)C ZINC000381757149 374143322 /nfs/dbraw/zinc/14/33/22/374143322.db2.gz GVSQVNUBLOHRAA-SKVAFPRGSA-N 1 0 242.363 2.455 10 0 BEAERO C[C@@H]([NH3+])c1csc(C2CCOCC2)n1 ZINC000070842540 374203063 /nfs/dbraw/zinc/20/30/63/374203063.db2.gz UINLNYZPEZPSRC-SSDOTTSWSA-N 1 0 212.318 2.057 10 0 BEAERO C[C@@H]([NH3+])c1csc(N2CC[C@H](C)C2)n1 ZINC000070845784 374204405 /nfs/dbraw/zinc/20/44/05/374204405.db2.gz BGXWEWPXKDWAIS-JGVFFNPUSA-N 1 0 211.334 2.009 10 0 BEAERO C(NC1=[NH+]C[C@H](C2CC2)S1)C1CCC1 ZINC000070887691 374224730 /nfs/dbraw/zinc/22/47/30/374224730.db2.gz KKYPXXGSNDBRBN-SNVBAGLBSA-N 1 0 210.346 2.258 10 0 BEAERO CC[C@](C)(C[NH3+])Nc1ccc(Cl)cn1 ZINC000070894747 374226386 /nfs/dbraw/zinc/22/63/86/374226386.db2.gz NEOIACHBOBAEOI-SNVBAGLBSA-N 1 0 213.712 2.274 10 0 BEAERO C[C@@H](NC1=[NH+]C[C@@H](C)S1)c1nccs1 ZINC000070734420 374186139 /nfs/dbraw/zinc/18/61/39/374186139.db2.gz OXJNNLINXRDDJW-RNFRBKRXSA-N 1 0 227.358 2.285 10 0 BEAERO Cc1ccsc1[C@H](O)C1CC[NH2+]CC1 ZINC000042730765 374283881 /nfs/dbraw/zinc/28/38/81/374283881.db2.gz MCFNDMKGXQWDKJ-SNVBAGLBSA-N 1 0 211.330 2.090 10 0 BEAERO CCCC[NH2+][C@H]1CC2=C(C1)C[C@H](O)CC2 ZINC000075618484 168876378 /nfs/dbraw/zinc/87/63/78/168876378.db2.gz GKXNTSOCLRMPAY-QWHCGFSZSA-N 1 0 209.333 2.380 10 0 BEAERO CCCC[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000026399341 168877368 /nfs/dbraw/zinc/87/73/68/168877368.db2.gz FVGCWHKHUYQKMI-NSHDSACASA-N 1 0 220.316 2.142 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1 ZINC000061268982 170138639 /nfs/dbraw/zinc/13/86/39/170138639.db2.gz JJZGCXXGBLITGZ-LBPRGKRZSA-N 1 0 234.343 2.033 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])c1cncc2ccccc21 ZINC000002511924 170231211 /nfs/dbraw/zinc/23/12/11/170231211.db2.gz WJUTXXXJWUIRTN-CYBMUJFWSA-N 1 0 244.294 2.188 10 0 BEAERO CCOC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]1C ZINC000005664815 170246684 /nfs/dbraw/zinc/24/66/84/170246684.db2.gz KGURDCFEXZQRQY-WDEREUQCSA-N 1 0 213.321 2.203 10 0 BEAERO CCCCOCC[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555525 168901670 /nfs/dbraw/zinc/90/16/70/168901670.db2.gz DXTNYMRHHCJNOQ-AWEZNQCLSA-N 1 0 244.423 2.369 10 0 BEAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000348160098 168907500 /nfs/dbraw/zinc/90/75/00/168907500.db2.gz KTHWJQPBACSHQC-BFHYXJOUSA-N 1 0 243.391 2.332 10 0 BEAERO OC1(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000335388971 183014903 /nfs/dbraw/zinc/01/49/03/183014903.db2.gz MISMWTDPNYKMQZ-RYUDHWBXSA-N 1 0 209.333 2.166 10 0 BEAERO OC1(C2CC2)C[NH+](CCC2CCCC2)C1 ZINC000300717007 183015127 /nfs/dbraw/zinc/01/51/27/183015127.db2.gz JSKGYFDWFLGBRY-UHFFFAOYSA-N 1 0 209.333 2.023 10 0 BEAERO OC1(C2CC2)C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000335468338 183016075 /nfs/dbraw/zinc/01/60/75/183016075.db2.gz MZCIDOOJHQUINZ-SNVBAGLBSA-N 1 0 245.313 2.269 10 0 BEAERO OC1(CC[NH2+][C@@H]2CCC[C@@H]2CCF)CCC1 ZINC000336711360 183016440 /nfs/dbraw/zinc/01/64/40/183016440.db2.gz SGHWCHKNXJOUPW-VXGBXAGGSA-N 1 0 229.339 2.409 10 0 BEAERO OC1(Cc2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000071372437 183021740 /nfs/dbraw/zinc/02/17/40/183021740.db2.gz ZZBOPCGBGVIXQO-PBWFPOADSA-N 1 0 235.302 2.014 10 0 BEAERO OC1([C@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000064437061 183023508 /nfs/dbraw/zinc/02/35/08/183023508.db2.gz BZHUMCQXPNKZAT-DUTNFGBUSA-N 1 0 235.371 2.316 10 0 BEAERO OCCC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000336688306 183042256 /nfs/dbraw/zinc/04/22/56/183042256.db2.gz VBIGTLQIXCQKTO-VXGBXAGGSA-N 1 0 229.339 2.267 10 0 BEAERO OCCCC[NH+]1CCC(c2nccs2)CC1 ZINC000371531807 183049414 /nfs/dbraw/zinc/04/94/14/183049414.db2.gz JLQZZRRDRREEJO-UHFFFAOYSA-N 1 0 240.372 2.095 10 0 BEAERO OCCCCC[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000374563439 183047711 /nfs/dbraw/zinc/04/77/11/183047711.db2.gz ZYMRHQKDBUTSKN-OLZOCXBDSA-N 1 0 211.349 2.414 10 0 BEAERO CCCC[C@H](C[NH3+])N(CC)Cc1ccncc1 ZINC000042515357 169002531 /nfs/dbraw/zinc/00/25/31/169002531.db2.gz HIYFDCRXHDOQLB-CQSZACIVSA-N 1 0 235.375 2.421 10 0 BEAERO CCCC[C@H](C[NH3+])NC(=O)C[C@H](C)C(C)C ZINC000162948304 169002565 /nfs/dbraw/zinc/00/25/65/169002565.db2.gz PVASIMBUISKBHT-NWDGAFQWSA-N 1 0 228.380 2.302 10 0 BEAERO OC[C@@H]1CCCC[N@H+](Cc2cccc(F)c2)C1 ZINC000374052562 183115946 /nfs/dbraw/zinc/11/59/46/183115946.db2.gz VQWGKOFUQSAILT-CYBMUJFWSA-N 1 0 237.318 2.420 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000309470648 183116271 /nfs/dbraw/zinc/11/62/71/183116271.db2.gz AMZDVFNBTYJSKZ-AVGNSLFASA-N 1 0 223.360 2.460 10 0 BEAERO OC[C@@H]1CCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336144554 183118254 /nfs/dbraw/zinc/11/82/54/183118254.db2.gz CBIMUGBMENEGHW-GHMZBOCLSA-N 1 0 233.302 2.126 10 0 BEAERO CCCC[C@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769603 169007570 /nfs/dbraw/zinc/00/75/70/169007570.db2.gz UFMGQEQBHOBLPF-JTQLQIEISA-N 1 0 246.314 2.019 10 0 BEAERO OCC[C@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000124329971 183098832 /nfs/dbraw/zinc/09/88/32/183098832.db2.gz AMNWUBQHHXOFFS-TZMCWYRMSA-N 1 0 231.339 2.031 10 0 BEAERO OCC[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000301000453 183098859 /nfs/dbraw/zinc/09/88/59/183098859.db2.gz VSJPFXHTOFMJOS-MNOVXSKESA-N 1 0 233.302 2.126 10 0 BEAERO OC[C@@H]([NH2+]C1CC1)c1ccccc1Cl ZINC000038124295 183107295 /nfs/dbraw/zinc/10/72/95/183107295.db2.gz JPMSTSOJKOVCNH-LLVKDONJSA-N 1 0 211.692 2.125 10 0 BEAERO CCCCc1ccc([C@@H](CO)[NH2+]C)cc1 ZINC000071510674 169021895 /nfs/dbraw/zinc/02/18/95/169021895.db2.gz ZHTTUKMTIPQXMG-CYBMUJFWSA-N 1 0 207.317 2.282 10 0 BEAERO CCCCc1ccc([C@@H](O)CC[NH3+])cc1 ZINC000036158260 169023235 /nfs/dbraw/zinc/02/32/35/169023235.db2.gz BSYNWWXFZMQOEU-ZDUSSCGKSA-N 1 0 207.317 2.411 10 0 BEAERO OC[C@H]([NH2+]C1CCCC1)[C@H]1CC=CCC1 ZINC000038123032 183139982 /nfs/dbraw/zinc/13/99/82/183139982.db2.gz NHUBKKZXXMOEPY-AAEUAGOBSA-N 1 0 209.333 2.236 10 0 BEAERO OC[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccsc1 ZINC000249547708 183126900 /nfs/dbraw/zinc/12/69/00/183126900.db2.gz GTJSDEXNTGOKRG-STQMWFEESA-N 1 0 237.368 2.166 10 0 BEAERO OC[C@H]1CCCC[N@H+](CCC(F)(F)F)C1 ZINC000363354760 183147188 /nfs/dbraw/zinc/14/71/88/183147188.db2.gz DOFFDBPYRCYQNE-VIFPVBQESA-N 1 0 225.254 2.033 10 0 BEAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000219011626 183147968 /nfs/dbraw/zinc/14/79/68/183147968.db2.gz IDDOLDGPUGJXJA-OCCSQVGLSA-N 1 0 237.318 2.466 10 0 BEAERO OC[C@H]1CCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336144557 183148448 /nfs/dbraw/zinc/14/84/48/183148448.db2.gz CBIMUGBMENEGHW-WDEREUQCSA-N 1 0 233.302 2.126 10 0 BEAERO CCCCn1nc(C)c(C[NH2+]CCOC)c1C ZINC000054717636 169038057 /nfs/dbraw/zinc/03/80/57/169038057.db2.gz WTHGHRFPWZRYJL-UHFFFAOYSA-N 1 0 239.363 2.036 10 0 BEAERO CCCN(C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1)C(C)C ZINC000037096443 169045034 /nfs/dbraw/zinc/04/50/34/169045034.db2.gz BQOWKQABNGKELA-NEPJUHHUSA-N 1 0 226.364 2.164 10 0 BEAERO OC[C@H]1Cc2ccc(Cl)c(Cl)c2C[NH2+]1 ZINC000027526370 183156627 /nfs/dbraw/zinc/15/66/27/183156627.db2.gz BYNFMAOUMAKLOM-SSDOTTSWSA-N 1 0 232.110 2.000 10 0 BEAERO CCCN(C(=O)[C@H]([NH3+])Cc1ccccc1)C(C)C ZINC000037096243 169045094 /nfs/dbraw/zinc/04/50/94/169045094.db2.gz IQJBROUSEARSIG-CQSZACIVSA-N 1 0 248.370 2.203 10 0 BEAERO CCCN(C(=O)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000037097401 169045587 /nfs/dbraw/zinc/04/55/87/169045587.db2.gz AIWCRLNUJRVRJI-CYBMUJFWSA-N 1 0 232.327 2.087 10 0 BEAERO CCCN(C(=O)[C@@]1(CC)CCC[NH2+]C1)C(C)C ZINC000062853415 169044680 /nfs/dbraw/zinc/04/46/80/169044680.db2.gz VKFQUJXYIHNFLW-AWEZNQCLSA-N 1 0 240.391 2.413 10 0 BEAERO CCCN(C(=O)[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000037096449 169046073 /nfs/dbraw/zinc/04/60/73/169046073.db2.gz JZOYUOMGKAMKTL-NEPJUHHUSA-N 1 0 226.364 2.022 10 0 BEAERO O[C@@H](Cc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000041282831 183183631 /nfs/dbraw/zinc/18/36/31/183183631.db2.gz WFYGTZWDSJMWPH-YPMHNXCESA-N 1 0 239.746 2.243 10 0 BEAERO O[C@@H](c1c(F)cccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000041251911 183184576 /nfs/dbraw/zinc/18/45/76/183184576.db2.gz LOMYMMWSHHSIDE-GXSJLCMTSA-N 1 0 229.682 2.265 10 0 BEAERO O[C@@H](c1ccc2c(c1)CCC2)[C@H]1CCCC[NH2+]1 ZINC000074367935 183185545 /nfs/dbraw/zinc/18/55/45/183185545.db2.gz VGHUNRYHQKGSJF-CABCVRRESA-N 1 0 231.339 2.351 10 0 BEAERO O[C@@H](c1cccc2cccnc21)[C@H]1CCCC[NH2+]1 ZINC000001729563 183185616 /nfs/dbraw/zinc/18/56/16/183185616.db2.gz VZTOROZDQAOUBJ-HIFRSBDPSA-N 1 0 242.322 2.410 10 0 BEAERO O[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)CC1 ZINC000293129598 183191621 /nfs/dbraw/zinc/19/16/21/183191621.db2.gz MSFLIBBDGWVESB-UONOGXRCSA-N 1 0 231.339 2.173 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC000084228495 183194848 /nfs/dbraw/zinc/19/48/48/183194848.db2.gz LVLGNZXDOOKWPR-DGCLKSJQSA-N 1 0 223.291 2.076 10 0 BEAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000089151280 183194965 /nfs/dbraw/zinc/19/49/65/183194965.db2.gz DJDVCOUKOAVHQO-IUODEOHRSA-N 1 0 244.338 2.419 10 0 BEAERO O[C@@]1(c2ccc(F)cc2F)CC[N@@H+](C2CC2)C1 ZINC000061987879 183218073 /nfs/dbraw/zinc/21/80/73/183218073.db2.gz ZVOYGMTYRKQWJT-ZDUSSCGKSA-N 1 0 239.265 2.021 10 0 BEAERO O[C@H](CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000033978942 183218813 /nfs/dbraw/zinc/21/88/13/183218813.db2.gz KPKJWIATYWHECY-CYBMUJFWSA-N 1 0 223.291 2.345 10 0 BEAERO O[C@H](CC[NH+]1CCCC1)c1cccs1 ZINC000041149359 183219020 /nfs/dbraw/zinc/21/90/20/183219020.db2.gz IWPXIPAQJIXCDX-SNVBAGLBSA-N 1 0 211.330 2.267 10 0 BEAERO O[C@H](C[NH2+]C1CC1)c1ccc(F)c(Cl)c1 ZINC000083263996 183222695 /nfs/dbraw/zinc/22/26/95/183222695.db2.gz RUXVTOUGWOJCDQ-LLVKDONJSA-N 1 0 229.682 2.265 10 0 BEAERO O[C@H](C[NH2+]C1CCC1)c1c(F)cccc1F ZINC000052209985 183223195 /nfs/dbraw/zinc/22/31/95/183223195.db2.gz YMICNVZGLYOTKE-LLVKDONJSA-N 1 0 227.254 2.140 10 0 BEAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)C(F)(F)F ZINC000309620336 183225461 /nfs/dbraw/zinc/22/54/61/183225461.db2.gz GZHROXOUCBIBBC-DJLDLDEBSA-N 1 0 243.244 2.028 10 0 BEAERO O[C@H]1CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000049181107 183231375 /nfs/dbraw/zinc/23/13/75/183231375.db2.gz UALWAQNNDKYEQM-RYUDHWBXSA-N 1 0 225.357 2.184 10 0 BEAERO O[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)C(F)(F)F ZINC000309620339 183225642 /nfs/dbraw/zinc/22/56/42/183225642.db2.gz GZHROXOUCBIBBC-XHNCKOQMSA-N 1 0 243.244 2.028 10 0 BEAERO CCC[N@H+](C)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000037098259 169085514 /nfs/dbraw/zinc/08/55/14/169085514.db2.gz GAPNJYBYFNDAQJ-KGLIPLIRSA-N 1 0 218.344 2.343 10 0 BEAERO O[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000041292086 183228368 /nfs/dbraw/zinc/22/83/68/183228368.db2.gz XJRRCJRNGGFSCI-WDEREUQCSA-N 1 0 245.244 2.491 10 0 BEAERO O[C@H]1CCCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000042896222 183231528 /nfs/dbraw/zinc/23/15/28/183231528.db2.gz PATUPOYGAFZDGP-CABCVRRESA-N 1 0 249.354 2.349 10 0 BEAERO O[C@H](c1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]C1 ZINC000038058307 183229176 /nfs/dbraw/zinc/22/91/76/183229176.db2.gz SPJBERPXHNCTOW-UKRRQHHQSA-N 1 0 247.338 2.045 10 0 BEAERO O[C@H](c1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000036162439 183229437 /nfs/dbraw/zinc/22/94/37/183229437.db2.gz WQJYNBDNKQSQIX-HUUCEWRRSA-N 1 0 231.339 2.208 10 0 BEAERO O[C@H](c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000041225904 183229734 /nfs/dbraw/zinc/22/97/34/183229734.db2.gz DBNLVCOMVDGCDS-GHMZBOCLSA-N 1 0 211.692 2.125 10 0 BEAERO O[C@H]1CCC2=C(C[C@H]([NH+]3CCCC3)C2)C1 ZINC000169343107 183230504 /nfs/dbraw/zinc/23/05/04/183230504.db2.gz XCENWEGOKMTCKG-OLZOCXBDSA-N 1 0 207.317 2.086 10 0 BEAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCc2cccc(F)c2C1 ZINC000157955018 183231872 /nfs/dbraw/zinc/23/18/72/183231872.db2.gz AJBLDZCLBXEJJM-GJZGRUSLSA-N 1 0 249.329 2.487 10 0 BEAERO O[C@H]1C[C@@H](C2CC[NH2+]CC2)c2ccccc21 ZINC000003621235 183247119 /nfs/dbraw/zinc/24/71/19/183247119.db2.gz LILLUMTXZGEICG-KBPBESRZSA-N 1 0 217.312 2.207 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC000077204105 183232349 /nfs/dbraw/zinc/23/23/49/183232349.db2.gz XPTJXJABNOQGLP-JSGCOSHPSA-N 1 0 237.318 2.466 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH+]1CCC2(CC2)CC1 ZINC000371198047 183232637 /nfs/dbraw/zinc/23/26/37/183232637.db2.gz LHGLAJFMWVWDMI-NEPJUHHUSA-N 1 0 209.333 2.166 10 0 BEAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000037691362 183233898 /nfs/dbraw/zinc/23/38/98/183233898.db2.gz PBICIJKIWIAPQY-OLZOCXBDSA-N 1 0 223.291 2.219 10 0 BEAERO O[C@H]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335620931 183237579 /nfs/dbraw/zinc/23/75/79/183237579.db2.gz LFMPBGBLKCMXOQ-AAEUAGOBSA-N 1 0 223.360 2.460 10 0 BEAERO Oc1ccc(CC[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)cc1 ZINC000103743098 183268393 /nfs/dbraw/zinc/26/83/93/183268393.db2.gz GZEPBFGFDHDXSG-VHDGCEQUSA-N 1 0 229.323 2.489 10 0 BEAERO Oc1ccc(C[NH2+]Cc2ccc[nH]2)cc1 ZINC000083343774 183270834 /nfs/dbraw/zinc/27/08/34/183270834.db2.gz DIRDRKFJZVHVMR-UHFFFAOYSA-N 1 0 202.257 2.010 10 0 BEAERO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(N)c1 ZINC000037094463 169132610 /nfs/dbraw/zinc/13/26/10/169132610.db2.gz QSDIZJTYOPFVNG-NSHDSACASA-N 1 0 249.358 2.328 10 0 BEAERO CCCN(CC)c1nc2ccccn2c1C[NH3+] ZINC000035449204 169133219 /nfs/dbraw/zinc/13/32/19/169133219.db2.gz WXVPQQZWMJDYMI-UHFFFAOYSA-N 1 0 232.331 2.029 10 0 BEAERO CCCN(CCC)[C@H](C[NH3+])c1ccccn1 ZINC000019279628 169151964 /nfs/dbraw/zinc/15/19/64/169151964.db2.gz BJHHMOPZESIFOB-CYBMUJFWSA-N 1 0 221.348 2.203 10 0 BEAERO Oc1ccc2c(c1)[C@@H]1CCC[NH2+][C@@H]1CC2 ZINC000029558948 183281664 /nfs/dbraw/zinc/28/16/64/183281664.db2.gz IETCXPRUYLQUEH-WCQYABFASA-N 1 0 203.285 2.174 10 0 BEAERO Oc1ccc2c(c1)CC[NH2+][C@H]2c1ccccn1 ZINC000003703150 183279722 /nfs/dbraw/zinc/27/97/22/183279722.db2.gz WHQICCPCPKXDJU-CQSZACIVSA-N 1 0 226.279 2.022 10 0 BEAERO CCCN(CCC)c1cc(C[NH3+])ccn1 ZINC000019256440 169152836 /nfs/dbraw/zinc/15/28/36/169152836.db2.gz XIEWVFPCKDDZSM-UHFFFAOYSA-N 1 0 207.321 2.167 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086511 169144450 /nfs/dbraw/zinc/14/44/50/169144450.db2.gz FYPBYFAPSJZHKM-RYUDHWBXSA-N 1 0 226.364 2.153 10 0 BEAERO CCCN(CCC)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019486242 169144973 /nfs/dbraw/zinc/14/49/73/169144973.db2.gz NTRXTCBZSQCVDA-NEPJUHHUSA-N 1 0 226.364 2.023 10 0 BEAERO CCC[NH+](CCC)CC(=O)Nc1ccccc1N ZINC000022155763 169147077 /nfs/dbraw/zinc/14/70/77/169147077.db2.gz GKPRZSDHIAUBBW-UHFFFAOYSA-N 1 0 249.358 2.329 10 0 BEAERO CCCN(CC[NH3+])c1cc(C)ccc1OC ZINC000076611376 169158260 /nfs/dbraw/zinc/15/82/60/169158260.db2.gz FUFFRXOJAIMBJP-UHFFFAOYSA-N 1 0 222.332 2.179 10 0 BEAERO CCC[N@H+](CCNCc1ccccn1)C1CC1 ZINC000053378163 169159260 /nfs/dbraw/zinc/15/92/60/169159260.db2.gz JODCCFMGHYYGKG-UHFFFAOYSA-N 1 0 233.359 2.046 10 0 BEAERO CCCN(CC[NH2+]C)Cc1ccc(F)cc1F ZINC000050885003 169159524 /nfs/dbraw/zinc/15/95/24/169159524.db2.gz MVUBJEXMXGZONA-UHFFFAOYSA-N 1 0 242.313 2.396 10 0 BEAERO Oc1cccc([C@@]23CC[C@@H](C2)[NH2+]CC3)c1 ZINC000060163792 183294206 /nfs/dbraw/zinc/29/42/06/183294206.db2.gz IREBRYIHHBBBKN-WCQYABFASA-N 1 0 203.285 2.176 10 0 BEAERO Oc1cccc2c1CC[C@@H]1[NH2+]CCC[C@H]21 ZINC000012355899 183295709 /nfs/dbraw/zinc/29/57/09/183295709.db2.gz RWDHALOKAOEZPC-PWSUYJOCSA-N 1 0 203.285 2.174 10 0 BEAERO Oc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCO1 ZINC000036852171 183295782 /nfs/dbraw/zinc/29/57/82/183295782.db2.gz HOMOBSPFRSPMOS-GWCFXTLKSA-N 1 0 233.311 2.148 10 0 BEAERO CCC[N@H+](CCOCC)C(CC)(CC)CN ZINC000050092591 169168572 /nfs/dbraw/zinc/16/85/72/169168572.db2.gz PJOUSCFVXYDABF-UHFFFAOYSA-N 1 0 230.396 2.252 10 0 BEAERO CCC[N@H+](CCOC)C1(CN)CCC(C)CC1 ZINC000050088685 169168848 /nfs/dbraw/zinc/16/88/48/169168848.db2.gz KVYGXNINPFLNQW-UHFFFAOYSA-N 1 0 242.407 2.252 10 0 BEAERO CCCN([C@@H](C)CC(C)(C)OC)[C@H]1CC[NH2+]C1 ZINC000071314819 169181907 /nfs/dbraw/zinc/18/19/07/169181907.db2.gz JDPKXGYMNVVMFL-STQMWFEESA-N 1 0 242.407 2.264 10 0 BEAERO CCCN(c1cc(C)nc(C)n1)[C@H]1CCC[NH2+]C1 ZINC000104342210 169182184 /nfs/dbraw/zinc/18/21/84/169182184.db2.gz ZKSQGPKQSQVYQR-ZDUSSCGKSA-N 1 0 248.374 2.062 10 0 BEAERO CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886962 169187172 /nfs/dbraw/zinc/18/71/72/169187172.db2.gz WRVSOVKNFQGYED-UHFFFAOYSA-N 1 0 207.321 2.005 10 0 BEAERO CCC[NH+]1CCC(NC)(c2nccs2)CC1 ZINC000041060313 169188405 /nfs/dbraw/zinc/18/84/05/169188405.db2.gz SRCLUROFQVMAOF-UHFFFAOYSA-N 1 0 239.388 2.064 10 0 BEAERO CCC[N@@H+]1CCCN(c2nc(C)cnc2C)CC1 ZINC000170079767 169192572 /nfs/dbraw/zinc/19/25/72/169192572.db2.gz JYTGEWCBGAVNRZ-UHFFFAOYSA-N 1 0 248.374 2.016 10 0 BEAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cn[nH]c2)C1 ZINC000035763543 169195570 /nfs/dbraw/zinc/19/55/70/169195570.db2.gz XAGADUZVINHNIT-VXGBXAGGSA-N 1 0 236.363 2.332 10 0 BEAERO c1cc(-c2ccc(NC3CC[NH2+]CC3)cc2)n[nH]1 ZINC000038041284 183329575 /nfs/dbraw/zinc/32/95/75/183329575.db2.gz VHMAUSAWPXLHIM-UHFFFAOYSA-N 1 0 242.326 2.241 10 0 BEAERO CCC[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105897404 169197880 /nfs/dbraw/zinc/19/78/80/169197880.db2.gz CSPQUIXMKWKXLX-LBPRGKRZSA-N 1 0 221.348 2.492 10 0 BEAERO c1cc(CCNC2=[NH+]C[C@@H](C3CC3)S2)ccn1 ZINC000071307303 183337596 /nfs/dbraw/zinc/33/75/96/183337596.db2.gz CTZCNNPKAXVBFS-LBPRGKRZSA-N 1 0 247.367 2.095 10 0 BEAERO CCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246575286 169209810 /nfs/dbraw/zinc/20/98/10/169209810.db2.gz FTDAVDPQUTWOAC-GWCFXTLKSA-N 1 0 241.281 2.483 10 0 BEAERO CCCN1Cc2ccccc2C[C@H]1C[NH2+]C ZINC000051860071 169210953 /nfs/dbraw/zinc/21/09/53/169210953.db2.gz WIBSCYUYTAVTLY-AWEZNQCLSA-N 1 0 218.344 2.043 10 0 BEAERO CCCNC(=[NH2+])N[C@@H]1CCc2ccccc2C1 ZINC000052042393 169212635 /nfs/dbraw/zinc/21/26/35/169212635.db2.gz DDACJFPRHRLHQF-CYBMUJFWSA-N 1 0 231.343 2.068 10 0 BEAERO c1cc(CSC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000095092754 183354933 /nfs/dbraw/zinc/35/49/33/183354933.db2.gz JBURECRRCTUMAF-LBPRGKRZSA-N 1 0 222.357 2.457 10 0 BEAERO c1cc(CSC2CC[NH2+]CC2)ccn1 ZINC000095092734 183355008 /nfs/dbraw/zinc/35/50/08/183355008.db2.gz WBMGOXUAEBZMSK-UHFFFAOYSA-N 1 0 208.330 2.067 10 0 BEAERO c1cc(COCC[C@H]2CCCC[NH2+]2)ccn1 ZINC000051862008 183355333 /nfs/dbraw/zinc/35/53/33/183355333.db2.gz XBLOFOSVLBJPLA-CYBMUJFWSA-N 1 0 220.316 2.130 10 0 BEAERO c1cc(COC[C@H]2CCCC[NH2+]2)cs1 ZINC000051816023 183355611 /nfs/dbraw/zinc/35/56/11/183355611.db2.gz IRIPPNWXDTVLSS-LLVKDONJSA-N 1 0 211.330 2.407 10 0 BEAERO c1cnn(-c2cccc(NC3CC[NH2+]CC3)c2)c1 ZINC000038041340 183357147 /nfs/dbraw/zinc/35/71/47/183357147.db2.gz ZYPUOHHDFUSLCT-UHFFFAOYSA-N 1 0 242.326 2.036 10 0 BEAERO CCC[NH2+]C1(c2nccs2)CCOCC1 ZINC000041061298 169254984 /nfs/dbraw/zinc/25/49/84/169254984.db2.gz ATZXCFVHJJVQKU-UHFFFAOYSA-N 1 0 226.345 2.148 10 0 BEAERO CCC[NH2+]C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471373 169256251 /nfs/dbraw/zinc/25/62/51/169256251.db2.gz VMLZHSSDQKGNHE-UHFFFAOYSA-N 1 0 235.327 2.171 10 0 BEAERO c1cc2c(c(C[NH+]3CCSCC3)c1)NCC2 ZINC000130475515 183365789 /nfs/dbraw/zinc/36/57/89/183365789.db2.gz RKHGEOISLVPYKC-UHFFFAOYSA-N 1 0 234.368 2.203 10 0 BEAERO c1cc(CCCC[NH2+]C2CC2)cc2c1OCO2 ZINC000098125842 183366830 /nfs/dbraw/zinc/36/68/30/183366830.db2.gz BKZIZYQQLRROLG-UHFFFAOYSA-N 1 0 233.311 2.490 10 0 BEAERO c1cc2c(cc1C[NH2+]C1CC1)OCCCO2 ZINC000037674747 183368035 /nfs/dbraw/zinc/36/80/35/183368035.db2.gz CFKJOOZMISALCE-UHFFFAOYSA-N 1 0 219.284 2.100 10 0 BEAERO CCC[NH2+]CCc1nnc(-c2cc(C)oc2C)o1 ZINC000050620088 169261429 /nfs/dbraw/zinc/26/14/29/169261429.db2.gz KTGWHEMDXZHHBZ-UHFFFAOYSA-N 1 0 249.314 2.489 10 0 BEAERO CCC[NH2+]C[C@@H](C)N(CCOC)[C@@H](C)C1CC1 ZINC000052545279 169261686 /nfs/dbraw/zinc/26/16/86/169261686.db2.gz IQSYXARSXCZJCU-OLZOCXBDSA-N 1 0 242.407 2.121 10 0 BEAERO c1cc([C@@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000082925863 183370578 /nfs/dbraw/zinc/37/05/78/183370578.db2.gz VEGMSZXDZFHVIL-LBPRGKRZSA-N 1 0 203.285 2.436 10 0 BEAERO c1cc2c(cc1[C@H]1CCC[NH2+]C1)OCCCO2 ZINC000057522277 183371712 /nfs/dbraw/zinc/37/17/12/183371712.db2.gz PYQHSLHVOUIAMX-LBPRGKRZSA-N 1 0 233.311 2.315 10 0 BEAERO CCC[NH2+]C[C@@H]1CCCN1c1cc(C)nc(C)n1 ZINC000053693066 169262585 /nfs/dbraw/zinc/26/25/85/169262585.db2.gz CJLOITRZOIOZNE-ZDUSSCGKSA-N 1 0 248.374 2.062 10 0 BEAERO CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000032012871 169262612 /nfs/dbraw/zinc/26/26/12/169262612.db2.gz FVXWOUUAKPEOEX-LLVKDONJSA-N 1 0 213.708 2.373 10 0 BEAERO c1cc2nc(C[C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000089221246 183377616 /nfs/dbraw/zinc/37/76/16/183377616.db2.gz MKCDVBLOXSOTLB-SNVBAGLBSA-N 1 0 215.300 2.105 10 0 BEAERO c1cc2sc([C@@H]3CCC[NH2+]C3)nc2cn1 ZINC000075869726 183378137 /nfs/dbraw/zinc/37/81/37/183378137.db2.gz SIKCNOHUVNZLSA-MRVPVSSYSA-N 1 0 219.313 2.158 10 0 BEAERO c1[nH]c(CC2CC[NH2+]CC2)nc1-c1ccccn1 ZINC000038076106 183380538 /nfs/dbraw/zinc/38/05/38/183380538.db2.gz ZLJOOTPLVUZRMK-UHFFFAOYSA-N 1 0 242.326 2.014 10 0 BEAERO CCC[NH2+][C@H](C)[C@H](C)N(C)C[C@@H]1CCCOC1 ZINC000104198536 169286220 /nfs/dbraw/zinc/28/62/20/169286220.db2.gz PSFWFCHPLKBDBW-RDBSUJKOSA-N 1 0 242.407 2.121 10 0 BEAERO CCC[NH2+][C@H](C)[C@@H]1COc2ccccc2O1 ZINC000001843860 169286494 /nfs/dbraw/zinc/28/64/94/169286494.db2.gz RXBKKPJEJZBXOF-MFKMUULPSA-N 1 0 221.300 2.215 10 0 BEAERO CCC[NH2+][C@H](C)c1ccc(-n2cncn2)c(F)c1 ZINC000034665258 169286681 /nfs/dbraw/zinc/28/66/81/169286681.db2.gz JXXWUGBBQYHJEE-SNVBAGLBSA-N 1 0 248.305 2.467 10 0 BEAERO CCC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000035582741 169286920 /nfs/dbraw/zinc/28/69/20/169286920.db2.gz HCJCGIYWPOGLDA-SECBINFHSA-N 1 0 218.300 2.242 10 0 BEAERO CCC[NH2+][C@H](C)c1c(C)nn(CCOC)c1C ZINC000054718318 169287170 /nfs/dbraw/zinc/28/71/70/169287170.db2.gz YEOZKGHRNVNJAF-SNVBAGLBSA-N 1 0 239.363 2.207 10 0 BEAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)c1cncnc1 ZINC000052887144 169289323 /nfs/dbraw/zinc/28/93/23/169289323.db2.gz MQWQYOYANPJBDV-QWHCGFSZSA-N 1 0 235.331 2.086 10 0 BEAERO CCC[NH2+][C@H](c1ccc(C)o1)[C@@H]1COCCO1 ZINC000055301196 169289668 /nfs/dbraw/zinc/28/96/68/169289668.db2.gz LFXRCIRQDGFWAU-QWHCGFSZSA-N 1 0 239.315 2.044 10 0 BEAERO CCC[NH2+][C@H](Cc1cccnc1)c1cncnc1 ZINC000053132173 169289992 /nfs/dbraw/zinc/28/99/92/169289992.db2.gz QVGNACHXJUJXSR-CQSZACIVSA-N 1 0 242.326 2.155 10 0 BEAERO CCC[NH2+]C[C@H](C)CN(C)Cc1ccncc1 ZINC000052480897 169264008 /nfs/dbraw/zinc/26/40/08/169264008.db2.gz RQZXPEVMIHHAFK-ZDUSSCGKSA-N 1 0 235.375 2.149 10 0 BEAERO CCC[NH2+]C[C@H]1CCCN1c1cc(C)nc(C)n1 ZINC000053693070 169264435 /nfs/dbraw/zinc/26/44/35/169264435.db2.gz CJLOITRZOIOZNE-CYBMUJFWSA-N 1 0 248.374 2.062 10 0 BEAERO CCC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000032012870 169264652 /nfs/dbraw/zinc/26/46/52/169264652.db2.gz GDOOFRCNBYRJJW-NSHDSACASA-N 1 0 213.708 2.373 10 0 BEAERO CCC[NH2+]C[C@H]1CCCCN1CCOC(C)C ZINC000053651338 169264939 /nfs/dbraw/zinc/26/49/39/169264939.db2.gz QSRYAYZKLPKYDE-CQSZACIVSA-N 1 0 242.407 2.266 10 0 BEAERO CCC[NH2+]C[C@H]1CCc2ncsc2C1 ZINC000033874371 169265022 /nfs/dbraw/zinc/26/50/22/169265022.db2.gz NPNURABQPHGRPL-VIFPVBQESA-N 1 0 210.346 2.248 10 0 BEAERO CCC[NH2+]Cc1cc(C)nc(N(CC)CC)n1 ZINC000054831359 169265985 /nfs/dbraw/zinc/26/59/85/169265985.db2.gz BOSIFUNOZFRCDA-UHFFFAOYSA-N 1 0 236.363 2.131 10 0 BEAERO c1ccc(CCN2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000040671052 183393194 /nfs/dbraw/zinc/39/31/94/183393194.db2.gz JDHOKEGPILAYGT-OAHLLOKOSA-N 1 0 230.355 2.055 10 0 BEAERO CCC[NH2+]Cc1ccc(N2CCC[C@@H]2CC)nn1 ZINC000051398716 169266532 /nfs/dbraw/zinc/26/65/32/169266532.db2.gz OXMDPQSAWOPGCX-ZDUSSCGKSA-N 1 0 248.374 2.355 10 0 BEAERO c1coc(CC[NH2+]CCc2ccccn2)c1 ZINC000037980807 183393848 /nfs/dbraw/zinc/39/38/48/183393848.db2.gz WGLCYNFTWQVOSO-UHFFFAOYSA-N 1 0 216.284 2.049 10 0 BEAERO c1nc2c([nH]1)[C@@H](CCc1ccccc1)[NH2+]CC2 ZINC000065406393 183395023 /nfs/dbraw/zinc/39/50/23/183395023.db2.gz PQJZTJQBRRCCRW-GFCCVEGCSA-N 1 0 227.311 2.229 10 0 BEAERO CCC[NH2+]Cc1cccnc1-n1cnc(C)c1C ZINC000051928424 169267948 /nfs/dbraw/zinc/26/79/48/169267948.db2.gz BOQTYODDXSRSDP-UHFFFAOYSA-N 1 0 244.342 2.384 10 0 BEAERO CCC[NH2+]Cc1nc2c(s1)CSCC2 ZINC000053294914 169269002 /nfs/dbraw/zinc/26/90/02/169269002.db2.gz HTDMCHUCNXLBAT-UHFFFAOYSA-N 1 0 228.386 2.432 10 0 BEAERO c1ccc(CN2CCC[C@H]3[NH2+]CCC[C@@H]32)cc1 ZINC000083328892 183398043 /nfs/dbraw/zinc/39/80/43/183398043.db2.gz BMUSNGKZAWNBLY-CABCVRRESA-N 1 0 230.355 2.403 10 0 BEAERO c1ccc(CN2CCC[C@@H]3[NH2+]CCC[C@@H]32)cc1 ZINC000083328894 183398931 /nfs/dbraw/zinc/39/89/31/183398931.db2.gz BMUSNGKZAWNBLY-GJZGRUSLSA-N 1 0 230.355 2.403 10 0 BEAERO c1ccc(CN2CC[NH2+]C3(CCCC3)C2)cc1 ZINC000056894954 183399705 /nfs/dbraw/zinc/39/97/05/183399705.db2.gz KHJUEFXVUZMIBB-UHFFFAOYSA-N 1 0 230.355 2.405 10 0 BEAERO CCC[NH2+][C@@H](C)[C@H]1COc2ccccc2O1 ZINC000001843857 169276312 /nfs/dbraw/zinc/27/63/12/169276312.db2.gz RXBKKPJEJZBXOF-GXFFZTMASA-N 1 0 221.300 2.215 10 0 BEAERO CCC[NH2+][C@@H](C)c1nnc(-c2ccncc2)o1 ZINC000050619445 169276951 /nfs/dbraw/zinc/27/69/51/169276951.db2.gz SUJXUIYEJQKLFB-VIFPVBQESA-N 1 0 232.287 2.192 10 0 BEAERO CCC[NH2+][C@@H](CC1CCOCC1)c1cnccn1 ZINC000053828892 169277729 /nfs/dbraw/zinc/27/77/29/169277729.db2.gz CLNWTFHKUKSNFT-ZDUSSCGKSA-N 1 0 249.358 2.334 10 0 BEAERO CCC[NH2+][C@@H](CCOC)Cc1ccncc1 ZINC000060709765 169278241 /nfs/dbraw/zinc/27/82/41/169278241.db2.gz CZBSEZAZFCDCLX-ZDUSSCGKSA-N 1 0 222.332 2.029 10 0 BEAERO CCC[NH2+][C@@H](CCOCC)Cc1ccncc1 ZINC000060709795 169278300 /nfs/dbraw/zinc/27/83/00/169278300.db2.gz VTLZCTCKZRRVKC-AWEZNQCLSA-N 1 0 236.359 2.419 10 0 BEAERO CCC[NH2+][C@@H](CCCOC)Cc1ccncc1 ZINC000060709632 169278351 /nfs/dbraw/zinc/27/83/51/169278351.db2.gz ZYJHKVLPRIJLHT-AWEZNQCLSA-N 1 0 236.359 2.419 10 0 BEAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1cncnc1 ZINC000060716523 169281854 /nfs/dbraw/zinc/28/18/54/169281854.db2.gz XHZWMQIESYOYDM-VXGBXAGGSA-N 1 0 205.305 2.112 10 0 BEAERO CCC[NH2+][C@@H]1CCN(Cc2cccc(C)c2)C1=O ZINC000049648855 169282373 /nfs/dbraw/zinc/28/23/73/169282373.db2.gz JXADTTMYLPGWHA-CQSZACIVSA-N 1 0 246.354 2.096 10 0 BEAERO CCC[NH2+][C@@H]1CCN(C2CCC(C)CC2)C1=O ZINC000049647903 169282463 /nfs/dbraw/zinc/28/24/63/169282463.db2.gz IFAMYHMWTOOBEE-WXRRBKDZSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2ccccc2CC)C1=O ZINC000049647629 169282808 /nfs/dbraw/zinc/28/28/08/169282808.db2.gz BECKOOXJKMFYCF-CYBMUJFWSA-N 1 0 246.354 2.354 10 0 BEAERO CCC[NH2+][C@@H]1CCN(c2cccc(F)c2)C1 ZINC000037240145 169283333 /nfs/dbraw/zinc/28/33/33/169283333.db2.gz BKDBMBBHPGIOOH-GFCCVEGCSA-N 1 0 222.307 2.404 10 0 BEAERO CCCN[C@@](C)(CC(C)(C)OC)C(=O)OCC ZINC000037513446 169283912 /nfs/dbraw/zinc/28/39/12/169283912.db2.gz PXCAKXRXLWBTEZ-ZDUSSCGKSA-N 1 0 245.363 2.123 10 0 BEAERO CCCO[C@@H]1CCCN(CC(C)(C)[NH2+]CC)C1 ZINC000061299841 169311035 /nfs/dbraw/zinc/31/10/35/169311035.db2.gz UWFKIXVXZVIBGH-CYBMUJFWSA-N 1 0 242.407 2.266 10 0 BEAERO CCCO[C@@H]1CCCN([C@@](C)(C[NH3+])C2CC2)C1 ZINC000042421160 169311466 /nfs/dbraw/zinc/31/14/66/169311466.db2.gz ZCWXMYKJROXKNU-KGLIPLIRSA-N 1 0 240.391 2.005 10 0 BEAERO CCCOc1ccc(-c2c[nH]c(N)[nH+]2)cc1 ZINC000071520071 169316157 /nfs/dbraw/zinc/31/61/57/169316157.db2.gz HKYDMCGAQZYHFH-UHFFFAOYSA-N 1 0 217.272 2.448 10 0 BEAERO CCCOc1ccc(CC2C[NH2+]C2)cc1 ZINC000022157712 169317685 /nfs/dbraw/zinc/31/76/85/169317685.db2.gz OOLRIVMAIYSKNW-UHFFFAOYSA-N 1 0 205.301 2.237 10 0 BEAERO CCCOc1ccc(C(=O)[C@@H](C)[NH2+]C)cc1 ZINC000041610349 169316887 /nfs/dbraw/zinc/31/68/87/169316887.db2.gz IDJVWUDZACURCL-SNVBAGLBSA-N 1 0 221.300 2.266 10 0 BEAERO CCC[NH2+][C@H]1CC(C)(C)Cc2ncncc21 ZINC000050101277 169291139 /nfs/dbraw/zinc/29/11/39/169291139.db2.gz ZZRUAYWHNXMTDQ-NSHDSACASA-N 1 0 219.332 2.490 10 0 BEAERO CCC[NH2+][C@H]1CCOc2cc3c(cc21)OCO3 ZINC000035654455 169292181 /nfs/dbraw/zinc/29/21/81/169292181.db2.gz KMPNWKRHMZIPBH-JTQLQIEISA-N 1 0 235.283 2.239 10 0 BEAERO CCC[NH2+][C@H]1CCc2ccc(O)cc2C1 ZINC000013759809 169292845 /nfs/dbraw/zinc/29/28/45/169292845.db2.gz NBGJODUAUISAEF-LBPRGKRZSA-N 1 0 205.301 2.249 10 0 BEAERO c1ccc2c(c1)snc2NC[C@@H]1CCC[NH2+]1 ZINC000095092622 183438886 /nfs/dbraw/zinc/43/88/86/183438886.db2.gz CYQPQONLWYYMLW-VIFPVBQESA-N 1 0 233.340 2.460 10 0 BEAERO CCCSCc1nc(COC)c(C[NH3+])s1 ZINC000082445887 169340851 /nfs/dbraw/zinc/34/08/51/169340851.db2.gz MMRXBIXHKZHYOU-UHFFFAOYSA-N 1 0 246.401 2.391 10 0 BEAERO c1ccc2nc(S[C@@H]3CCC[NH2+]C3)cnc2c1 ZINC000095068071 183459929 /nfs/dbraw/zinc/45/99/29/183459929.db2.gz HESPQQAXFPDIPF-SNVBAGLBSA-N 1 0 245.351 2.474 10 0 BEAERO CCCOc1ccc(OCCC(N)=[NH2+])cc1 ZINC000034957307 169321201 /nfs/dbraw/zinc/32/12/01/169321201.db2.gz SVYZWAGTIMCFIC-UHFFFAOYSA-N 1 0 222.288 2.180 10 0 BEAERO CCCOc1ccc([C@@H](O)CC[NH+](C)C)cc1 ZINC000041145963 169321857 /nfs/dbraw/zinc/32/18/57/169321857.db2.gz SXABRNRUEXPCLH-AWEZNQCLSA-N 1 0 237.343 2.461 10 0 BEAERO CCCOc1ccc([C@H](C[NH3+])N(C)CC)cc1 ZINC000020226549 169322464 /nfs/dbraw/zinc/32/24/64/169322464.db2.gz YASQBVDKVBYQTN-AWEZNQCLSA-N 1 0 236.359 2.427 10 0 BEAERO CCCOc1ccc([C@H](O)[C@@H](C)[NH2+]C)cc1 ZINC000071531038 169322697 /nfs/dbraw/zinc/32/26/97/169322697.db2.gz MYLWWGMKOXDOQI-ZWNOBZJWSA-N 1 0 223.316 2.117 10 0 BEAERO CCCOc1ccc2c(c1)[C@H]([NH2+]C)CO2 ZINC000035654160 169322881 /nfs/dbraw/zinc/32/28/81/169322881.db2.gz SVAXEUPJAMQWHV-LLVKDONJSA-N 1 0 207.273 2.128 10 0 BEAERO c1ccc2c(c1)snc2NC[C@H]1CC[NH2+]C1 ZINC000095092627 183439762 /nfs/dbraw/zinc/43/97/62/183439762.db2.gz REUFGXYLNPWJDX-VIFPVBQESA-N 1 0 233.340 2.318 10 0 BEAERO CCCOc1cccc(C[NH2+]C2(CO)CC2)c1 ZINC000120398666 169325298 /nfs/dbraw/zinc/32/52/98/169325298.db2.gz PDSGBBOSBOWMSP-UHFFFAOYSA-N 1 0 235.327 2.090 10 0 BEAERO CCCOc1ccccc1C[NH2+][C@@H](CC)CO ZINC000020924384 169326772 /nfs/dbraw/zinc/32/67/72/169326772.db2.gz CLIGPYGGHLXFOY-ZDUSSCGKSA-N 1 0 237.343 2.336 10 0 BEAERO CCCOc1nc(C[NH3+])cc2ccccc21 ZINC000051543700 169327988 /nfs/dbraw/zinc/32/79/88/169327988.db2.gz XBOHWOHWEMGCRH-UHFFFAOYSA-N 1 0 216.284 2.482 10 0 BEAERO c1ccc2c(c1)C[NH2+][C@@H](CN1CCCCC1)C2 ZINC000020073690 183448084 /nfs/dbraw/zinc/44/80/84/183448084.db2.gz MOXWARQHLIFLKP-OAHLLOKOSA-N 1 0 230.355 2.187 10 0 BEAERO CCC[C@@H](C)[N@H+](C)C[C@H](O)c1cccc(N)c1 ZINC000051326316 169364869 /nfs/dbraw/zinc/36/48/69/169364869.db2.gz CACQRGNKQZHDDL-RISCZKNCSA-N 1 0 236.359 2.423 10 0 BEAERO CCC[C@@H](C(=O)Nc1ccccc1O)[NH+](C)C ZINC000159324544 169346566 /nfs/dbraw/zinc/34/65/66/169346566.db2.gz ZBZWBGQTSACYOX-NSHDSACASA-N 1 0 236.315 2.061 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358146 169348096 /nfs/dbraw/zinc/34/80/96/169348096.db2.gz GZBXPYWQKYVFHK-FRRDWIJNSA-N 1 0 238.375 2.166 10 0 BEAERO CCC[C@@H](C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000036902958 169359976 /nfs/dbraw/zinc/35/99/76/169359976.db2.gz WYSJIDWQFSOGMY-LLVKDONJSA-N 1 0 234.343 2.311 10 0 BEAERO CCC[C@@H](C)C[NH2+][C@@H](C)Cn1cccn1 ZINC000037154457 169360299 /nfs/dbraw/zinc/36/02/99/169360299.db2.gz TXVJFZHZTFGNCI-NEPJUHHUSA-N 1 0 209.337 2.297 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)CC(C)C ZINC000037807330 169387180 /nfs/dbraw/zinc/38/71/80/169387180.db2.gz WYAHNZWIXDYMGM-WDEREUQCSA-N 1 0 214.353 2.007 10 0 BEAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020252155 169373040 /nfs/dbraw/zinc/37/30/40/169373040.db2.gz YXKUAQLYKZVTSN-PELKAZGASA-N 1 0 233.315 2.292 10 0 BEAERO c1cc(CC[NH2+]Cc2cccnc2)cs1 ZINC000042249137 183495152 /nfs/dbraw/zinc/49/51/52/183495152.db2.gz UOQGMEYZDMKOQA-UHFFFAOYSA-N 1 0 218.325 2.475 10 0 BEAERO c1cncc(CSC[C@H]2CCC[NH2+]2)c1 ZINC000095092748 183495578 /nfs/dbraw/zinc/49/55/78/183495578.db2.gz PJXHAZPDKZLJKD-LLVKDONJSA-N 1 0 208.330 2.067 10 0 BEAERO CCC[C@@H](CC(=O)OCC)[NH+]1CCCC1 ZINC000005310810 169375333 /nfs/dbraw/zinc/37/53/33/169375333.db2.gz HGJDAHUQEZKQIP-NSHDSACASA-N 1 0 213.321 2.204 10 0 BEAERO CCC[C@@H](C[NH3+])C(=O)Nc1ccc(F)c(C)c1 ZINC000061118110 169382954 /nfs/dbraw/zinc/38/29/54/169382954.db2.gz WOKQQLKSJABLFJ-JTQLQIEISA-N 1 0 238.306 2.448 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)NCCC1=CCCCC1 ZINC000036873247 169389697 /nfs/dbraw/zinc/38/96/97/169389697.db2.gz GPGFWSCBTPHCBG-GFCCVEGCSA-N 1 0 224.348 2.121 10 0 BEAERO CCC[C@@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096987017 169392580 /nfs/dbraw/zinc/39/25/80/169392580.db2.gz BSWWHPVBKXSAGA-GHMZBOCLSA-N 1 0 242.363 2.371 10 0 BEAERO CCC[C@@H]([NH3+])[C@@H](CC)N(C)CCc1ccncc1 ZINC000048260037 169392719 /nfs/dbraw/zinc/39/27/19/169392719.db2.gz ZAQZODPZGRALHM-HUUCEWRRSA-N 1 0 249.402 2.462 10 0 BEAERO CCC[C@@H]([NH3+])c1nc(C)c(C(C)=O)s1 ZINC000083347076 169393487 /nfs/dbraw/zinc/39/34/87/169393487.db2.gz YWVBNUVBFLMDMB-MRVPVSSYSA-N 1 0 212.318 2.454 10 0 BEAERO CCC[C@@H]([NH3+])c1noc(-c2ccco2)n1 ZINC000041052552 169394760 /nfs/dbraw/zinc/39/47/60/169394760.db2.gz LIJKZMDPXPVUKJ-SSDOTTSWSA-N 1 0 207.233 2.130 10 0 BEAERO c1csc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054301194 183515885 /nfs/dbraw/zinc/51/58/85/183515885.db2.gz KDJNTZFANKKGJV-SECBINFHSA-N 1 0 249.339 2.340 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000336737996 169418813 /nfs/dbraw/zinc/41/88/13/169418813.db2.gz NXTKPDMPSQBFPT-VXGBXAGGSA-N 1 0 226.364 2.069 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C2(CCC2)C1 ZINC000082327550 166654071 /nfs/dbraw/zinc/65/40/71/166654071.db2.gz KTOPNLWRUUFYQE-JTQLQIEISA-N 1 0 240.347 2.125 10 0 BEAERO CCC[C@H](C)[NH2+]C[C@@H](C)N1CCO[C@H](CC)C1 ZINC000053491122 169493443 /nfs/dbraw/zinc/49/34/43/169493443.db2.gz JMFQZXWNTAZGKR-BFHYXJOUSA-N 1 0 242.407 2.264 10 0 BEAERO CCC[C@H]([NH3+])c1cnc2cccc(C)n21 ZINC000031911331 169505793 /nfs/dbraw/zinc/50/57/93/169505793.db2.gz LYSSSLIWPACKKS-JTQLQIEISA-N 1 0 203.289 2.443 10 0 BEAERO CCC[C@H](c1cccs1)N1CC[NH2+]CC1 ZINC000049545612 169523056 /nfs/dbraw/zinc/52/30/56/169523056.db2.gz OLVKVSOGBMLXIJ-LLVKDONJSA-N 1 0 224.373 2.495 10 0 BEAERO CC(C)(C)OC(=O)NCCC[C@@]1(C)CCC[NH2+]1 ZINC000088613838 166661273 /nfs/dbraw/zinc/66/12/73/166661273.db2.gz GCUCPMRCMMNPFQ-ZDUSSCGKSA-N 1 0 242.363 2.433 10 0 BEAERO CCC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000096987069 169526564 /nfs/dbraw/zinc/52/65/64/169526564.db2.gz BPJAEXUWRQDSRU-WDEREUQCSA-N 1 0 242.363 2.371 10 0 BEAERO CCC[C@](C)([NH2+]C1CCCCCC1)C(N)=O ZINC000037970685 169548907 /nfs/dbraw/zinc/54/89/07/169548907.db2.gz LCNJNSKSGFVYJA-ZDUSSCGKSA-N 1 0 226.364 2.343 10 0 BEAERO CCC[C@](C)(O)C[NH2+]Cc1cccn1CC ZINC000230688680 169553787 /nfs/dbraw/zinc/55/37/87/169553787.db2.gz OQBBIIWIJXSBBT-ZDUSSCGKSA-N 1 0 224.348 2.149 10 0 BEAERO CCN(CC[NH+](C)C)c1cccc(C)c1 ZINC000002243591 169837705 /nfs/dbraw/zinc/83/77/05/169837705.db2.gz PFIBWRMTMDDALJ-UHFFFAOYSA-N 1 0 206.333 2.383 10 0 BEAERO CCCc1cc(OCC[C@H]2CCCC[NH2+]2)ncn1 ZINC000051871431 169567266 /nfs/dbraw/zinc/56/72/66/169567266.db2.gz XDOJFFLUYLYRMD-GFCCVEGCSA-N 1 0 249.358 2.340 10 0 BEAERO CCCc1nc(CCOC)sc1C[NH2+]C ZINC000082426796 169587836 /nfs/dbraw/zinc/58/78/36/169587836.db2.gz ORQYCMURTISJRV-UHFFFAOYSA-N 1 0 228.361 2.004 10 0 BEAERO CCn1cc(CC[NH2+]C)c(-c2cccs2)n1 ZINC000409437470 383846542 /nfs/dbraw/zinc/84/65/42/383846542.db2.gz GXDJJEHBLMLEJL-UHFFFAOYSA-N 1 0 235.356 2.393 10 0 BEAERO CC(C)[C@@H]([NH3+])COc1ccc(F)cc1F ZINC000087532806 383847709 /nfs/dbraw/zinc/84/77/09/383847709.db2.gz ZOFOKYVRHUDWSQ-JTQLQIEISA-N 1 0 215.243 2.327 10 0 BEAERO CC(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000001594079 383910200 /nfs/dbraw/zinc/91/02/00/383910200.db2.gz MKHCEQBLJLARIA-UHFFFAOYSA-N 1 0 217.312 2.239 10 0 BEAERO Cn1nccc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000112346596 383919432 /nfs/dbraw/zinc/91/94/32/383919432.db2.gz RVJTURSVCVAZEM-CQSZACIVSA-N 1 0 245.301 2.336 10 0 BEAERO CCOCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000036229223 383889184 /nfs/dbraw/zinc/88/91/84/383889184.db2.gz KSNJHJJTPOTDCZ-UHFFFAOYSA-N 1 0 223.316 2.135 10 0 BEAERO [NH3+][C@@H](COC(F)(F)F)c1ccccc1F ZINC000068576541 383999683 /nfs/dbraw/zinc/99/96/83/383999683.db2.gz YQQFVVLWMGMLDD-QMMMGPOBSA-N 1 0 223.169 2.362 10 0 BEAERO CN(Cc1ccccc1)[C@H](C[NH3+])C(F)(F)F ZINC000037169497 383951551 /nfs/dbraw/zinc/95/15/51/383951551.db2.gz NWQGMUAFARXZRD-SNVBAGLBSA-N 1 0 232.249 2.008 10 0 BEAERO CC(C)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000073653101 384027381 /nfs/dbraw/zinc/02/73/81/384027381.db2.gz KDCVTJAXNWOGBD-CYBMUJFWSA-N 1 0 210.365 2.345 10 0 BEAERO Cc1cc(C)nc(N[C@H](C)CCCC[NH3+])n1 ZINC000309400136 384029771 /nfs/dbraw/zinc/02/97/71/384029771.db2.gz DGGCVOQYOIQWEX-SECBINFHSA-N 1 0 222.336 2.023 10 0 BEAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000077204312 384054882 /nfs/dbraw/zinc/05/48/82/384054882.db2.gz DLZXIKZINKDVKN-RYUDHWBXSA-N 1 0 225.357 2.389 10 0 BEAERO CC[N@H+](C)CCNc1ccnc(Cl)c1 ZINC000091461759 384090604 /nfs/dbraw/zinc/09/06/04/384090604.db2.gz RAJBWWWDOSFUOJ-UHFFFAOYSA-N 1 0 213.712 2.099 10 0 BEAERO Nc1cccnc1Nc1ccc2c(c1)COC2 ZINC000082293824 384107034 /nfs/dbraw/zinc/10/70/34/384107034.db2.gz TZTXWIPLWAMCPN-UHFFFAOYSA-N 1 0 227.267 2.438 10 0 BEAERO Cc1ccncc1CCC[NH2+][C@H]1C[C@H]1C ZINC000309139664 384108413 /nfs/dbraw/zinc/10/84/13/384108413.db2.gz STKTVSXPIOPULS-YPMHNXCESA-N 1 0 204.317 2.321 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CCC=CO1 ZINC000070528346 384116876 /nfs/dbraw/zinc/11/68/76/384116876.db2.gz PQBZICJNCKEXGM-DGCLKSJQSA-N 1 0 231.295 2.402 10 0 BEAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1(C)C ZINC000310300757 384121195 /nfs/dbraw/zinc/12/11/95/384121195.db2.gz OFFDWQYRJIPYEI-GRYCIOLGSA-N 1 0 243.391 2.187 10 0 BEAERO CCCCOc1ccc(Cl)c(C(N)=[NH2+])n1 ZINC000071186735 384154296 /nfs/dbraw/zinc/15/42/96/384154296.db2.gz TVXKEFCSARETSN-UHFFFAOYSA-N 1 0 227.695 2.198 10 0 BEAERO COc1cc(N[C@@H](C)[C@H]2CC[NH2+]C2)ccc1F ZINC000400509297 533036972 /nfs/dbraw/zinc/03/69/72/533036972.db2.gz KZMJGXDQJTXRDP-UWVGGRQHSA-N 1 0 238.306 2.244 10 0 BEAERO [NH3+][C@H]1CCOc2cc(F)c(Br)cc21 ZINC000116924317 384160894 /nfs/dbraw/zinc/16/08/94/384160894.db2.gz SBMBPLQOIUUGJK-QMMMGPOBSA-N 1 0 246.079 2.371 10 0 BEAERO Nc1ncccc1C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000071388766 384166352 /nfs/dbraw/zinc/16/63/52/384166352.db2.gz QEIYPNSSOGCZGC-WVKUQDAKSA-N 1 0 243.354 2.142 10 0 BEAERO C[C@](O)(C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000071543384 384170633 /nfs/dbraw/zinc/17/06/33/384170633.db2.gz XTUGPMLWOTXYDD-SNVBAGLBSA-N 1 0 234.126 2.246 10 0 BEAERO Clc1ccc(C2=[NH+]CCN2)c(Cl)c1 ZINC000040976675 384171229 /nfs/dbraw/zinc/17/12/29/384171229.db2.gz DSQMJENLNWSEMO-UHFFFAOYSA-N 1 0 215.083 2.343 10 0 in-vivo BEAERO CC[C@H]([NH2+]Cc1ccc(CO)o1)C(C)C ZINC000081555663 384185749 /nfs/dbraw/zinc/18/57/49/384185749.db2.gz MAALHYCMWIPXTO-LBPRGKRZSA-N 1 0 211.305 2.296 10 0 BEAERO C[C@@H](C[NH3+])Cc1c[nH]c2ccc(F)cc12 ZINC000097442063 384208085 /nfs/dbraw/zinc/20/80/85/384208085.db2.gz NLRRJAHVVQTEBE-MRVPVSSYSA-N 1 0 206.264 2.444 10 0 BEAERO C(C1CCC1)[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000173541144 384238499 /nfs/dbraw/zinc/23/84/99/384238499.db2.gz LZMISTWZBJSQOV-QWHCGFSZSA-N 1 0 209.333 2.430 10 0 BEAERO CCCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000082725342 384260392 /nfs/dbraw/zinc/26/03/92/384260392.db2.gz AGEKQSOBLQJZEL-STQMWFEESA-N 1 0 210.365 2.345 10 0 BEAERO c1ccc2c(c1)C[C@@H]([C@@H]1CCC[NH2+]1)CN2 ZINC000012357052 384313062 /nfs/dbraw/zinc/31/30/62/384313062.db2.gz GGYJIOPBXKUYGC-YPMHNXCESA-N 1 0 202.301 2.023 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]CCCc1cnn(C)c1 ZINC000314715977 384279797 /nfs/dbraw/zinc/27/97/97/384279797.db2.gz NCZPNKKWUZIMAB-STQMWFEESA-N 1 0 221.348 2.131 10 0 BEAERO [NH3+]CCc1sccc1Br ZINC000043674240 384295742 /nfs/dbraw/zinc/29/57/42/384295742.db2.gz BVSQAZYETHNSGE-UHFFFAOYSA-N 1 0 206.108 2.012 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@H](O)c1ccccc1OC ZINC000133534631 384296976 /nfs/dbraw/zinc/29/69/76/384296976.db2.gz ZRVBKBREHZOPSK-YPMHNXCESA-N 1 0 237.343 2.364 10 0 BEAERO c1ccc2c(c1)C[C@@H]2CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094450364 384301974 /nfs/dbraw/zinc/30/19/74/384301974.db2.gz NTRUBZPZKLCAOZ-HUUCEWRRSA-N 1 0 242.366 2.106 10 0 BEAERO Clc1ccc(COC[C@@H]2CCC[NH2+]2)cn1 ZINC000095069853 384335222 /nfs/dbraw/zinc/33/52/22/384335222.db2.gz GFXMYPNKKCSLRP-JTQLQIEISA-N 1 0 226.707 2.004 10 0 BEAERO Clc1ccc(COC[C@H]2CCCC[NH2+]2)cn1 ZINC000095069852 384335663 /nfs/dbraw/zinc/33/56/63/384335663.db2.gz UGWUXAHBKBEBOS-LLVKDONJSA-N 1 0 240.734 2.394 10 0 BEAERO CCC[C@H](C(=O)N1CCC[C@@H](C)CC1)[NH+](C)C ZINC000179700044 384336020 /nfs/dbraw/zinc/33/60/20/384336020.db2.gz GSQHHVOVLJWHCE-CHWSQXEVSA-N 1 0 240.391 2.365 10 0 BEAERO CN(c1nsc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000095070572 384336234 /nfs/dbraw/zinc/33/62/34/384336234.db2.gz USUWDMCTXQAEMZ-JTQLQIEISA-N 1 0 247.367 2.485 10 0 BEAERO CN(c1nsc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000095070550 384336347 /nfs/dbraw/zinc/33/63/47/384336347.db2.gz OWNNAWABCLEPAT-SECBINFHSA-N 1 0 233.340 2.094 10 0 BEAERO Clc1ncc(CNC[C@@H]2CCCC[NH2+]2)s1 ZINC000095070200 384337103 /nfs/dbraw/zinc/33/71/03/384337103.db2.gz GEOSUOVTUMHTPC-QMMMGPOBSA-N 1 0 245.779 2.028 10 0 BEAERO Clc1cc(SC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000095070453 384337438 /nfs/dbraw/zinc/33/74/38/384337438.db2.gz DMNFUOTVVLYDRR-MRVPVSSYSA-N 1 0 243.763 2.222 10 0 BEAERO [NH3+]C[C@H]1CCN(c2nsc3ccccc32)C1 ZINC000095072677 384343457 /nfs/dbraw/zinc/34/34/57/384343457.db2.gz YYIGVOVKISNRGA-SECBINFHSA-N 1 0 233.340 2.081 10 0 BEAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000134244441 384343758 /nfs/dbraw/zinc/34/37/58/384343758.db2.gz OODLEELZDBEJMN-WRWORJQWSA-N 1 0 245.244 2.371 10 0 BEAERO CC(C)c1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000120367077 384349612 /nfs/dbraw/zinc/34/96/12/384349612.db2.gz LWAIDNJFXUAAOW-UHFFFAOYSA-N 1 0 219.328 2.425 10 0 BEAERO CC[C@@H](C)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000120383685 384350131 /nfs/dbraw/zinc/35/01/31/384350131.db2.gz SBVYXSRCWFYWSB-CYBMUJFWSA-N 1 0 248.374 2.035 10 0 BEAERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(C)cc1 ZINC000095075889 384350430 /nfs/dbraw/zinc/35/04/30/384350430.db2.gz AJJLKVPXIJBVJJ-UONOGXRCSA-N 1 0 219.328 2.162 10 0 BEAERO COCc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000083969539 384350831 /nfs/dbraw/zinc/35/08/31/384350831.db2.gz IPUFBDGUAUNFSB-GXFFZTMASA-N 1 0 205.301 2.331 10 0 BEAERO C[NH2+][C@H]1CCOC[C@H]1Cc1ccccc1C ZINC000095075922 384351432 /nfs/dbraw/zinc/35/14/32/384351432.db2.gz PBCIAJBUGTVQTF-KGLIPLIRSA-N 1 0 219.328 2.162 10 0 BEAERO CC[C@](C)(CCO)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000134462588 384357488 /nfs/dbraw/zinc/35/74/88/384357488.db2.gz ZPUKWBZJCZZYNP-CQSZACIVSA-N 1 0 247.342 2.204 10 0 BEAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000120554661 384359762 /nfs/dbraw/zinc/35/97/62/384359762.db2.gz UFZQRQMMEOMMKC-COPLHBTASA-N 1 0 242.326 2.326 10 0 BEAERO c1cncc(CS[C@H]2CCC[NH2+]C2)c1 ZINC000095092728 384362217 /nfs/dbraw/zinc/36/22/17/384362217.db2.gz LIUDEGDCDFCQPB-NSHDSACASA-N 1 0 208.330 2.067 10 0 BEAERO c1ccc(CS[C@@H]2CCC[NH2+]C2)nc1 ZINC000095092725 384362296 /nfs/dbraw/zinc/36/22/96/384362296.db2.gz RHVZBOQANICPKF-LLVKDONJSA-N 1 0 208.330 2.067 10 0 BEAERO c1csc(OCCCC2CC[NH2+]CC2)n1 ZINC000095092531 384362604 /nfs/dbraw/zinc/36/26/04/384362604.db2.gz OXQDLQLIKKAHQR-UHFFFAOYSA-N 1 0 226.345 2.302 10 0 BEAERO c1ncc(COCCC[C@@H]2CCC[NH2+]C2)s1 ZINC000095092584 384363039 /nfs/dbraw/zinc/36/30/39/384363039.db2.gz NTAPPAPMXVWVHT-NSHDSACASA-N 1 0 240.372 2.440 10 0 BEAERO c1cncc(CSC[C@@H]2CCC[NH2+]C2)c1 ZINC000095092749 384363978 /nfs/dbraw/zinc/36/39/78/384363978.db2.gz CTIVYBFOMMPFAH-GFCCVEGCSA-N 1 0 222.357 2.314 10 0 BEAERO Cc1ccnc(SC[C@H]2CCC[NH2+]2)c1 ZINC000095069306 384331779 /nfs/dbraw/zinc/33/17/79/384331779.db2.gz MMAQRBWDMXRZHA-SNVBAGLBSA-N 1 0 208.330 2.234 10 0 BEAERO Clc1ccc(CS[C@@H]2CC[NH2+]C2)cn1 ZINC000095069914 384334615 /nfs/dbraw/zinc/33/46/15/384334615.db2.gz UTFIOFTZSDHMDC-SECBINFHSA-N 1 0 228.748 2.330 10 0 BEAERO Clc1ccc(COC[C@H]2CCC[NH2+]2)cn1 ZINC000095069854 384334942 /nfs/dbraw/zinc/33/49/42/384334942.db2.gz GFXMYPNKKCSLRP-SNVBAGLBSA-N 1 0 226.707 2.004 10 0 BEAERO Cc1cnc(N[C@@H]2CCCC[C@@H]2[NH3+])nc1Cl ZINC000095069329 384334947 /nfs/dbraw/zinc/33/49/47/384334947.db2.gz YGCVWTWFUCGHLD-DTWKUNHWSA-N 1 0 240.738 2.120 10 0 BEAERO [NH3+]Cc1ccnc(Cl)c1C(F)(F)F ZINC000095768430 384394720 /nfs/dbraw/zinc/39/47/20/384394720.db2.gz XUQLFULWVIGOQP-UHFFFAOYSA-N 1 0 210.586 2.213 10 0 BEAERO CCC[C@H]([NH2+]CC[C@@H](C)O)c1cccnc1 ZINC000134921032 384399697 /nfs/dbraw/zinc/39/96/97/384399697.db2.gz ZFSOPYVIZKZGME-YPMHNXCESA-N 1 0 222.332 2.283 10 0 BEAERO CN1C[C@H](c2c[nH]cn2)Cc2ccccc21 ZINC000616668514 384408041 /nfs/dbraw/zinc/40/80/41/384408041.db2.gz BXXZIQLNHOCNPE-LLVKDONJSA-N 1 0 213.284 2.186 10 0 BEAERO CC(=O)CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000121285317 384408900 /nfs/dbraw/zinc/40/89/00/384408900.db2.gz DMPPCQBRVBFLNM-LLVKDONJSA-N 1 0 221.300 2.364 10 0 BEAERO C[NH+](C)CCn1ccc2ccc(Cl)nc21 ZINC000078017695 384425723 /nfs/dbraw/zinc/42/57/23/384425723.db2.gz IFMAJLIVYZIWIP-UHFFFAOYSA-N 1 0 223.707 2.251 10 0 BEAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCSC ZINC000175356452 384427772 /nfs/dbraw/zinc/42/77/72/384427772.db2.gz FOZRNTIMAKWIGW-GFCCVEGCSA-N 1 0 230.421 2.156 10 0 BEAERO CC1(C)CC([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000309148900 384432862 /nfs/dbraw/zinc/43/28/62/384432862.db2.gz VXKLPULCMFSBOA-ZYHUDNBSSA-N 1 0 211.349 2.316 10 0 BEAERO CCC[C@H](C)[N@H+](C)C[C@H](N)CC(C)C ZINC000036790985 384459877 /nfs/dbraw/zinc/45/98/77/384459877.db2.gz BEZDUEOCINTUGM-NWDGAFQWSA-N 1 0 200.370 2.480 10 0 BEAERO [NH3+]C[C@H](c1ccsc1)n1cc(Cl)cn1 ZINC000043124204 384495398 /nfs/dbraw/zinc/49/53/98/384495398.db2.gz UFCXMGGZANZBKU-SECBINFHSA-N 1 0 227.720 2.146 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(F)cc1F ZINC000054929548 384511830 /nfs/dbraw/zinc/51/18/30/384511830.db2.gz QBUXSKDXRFSZBY-VXGBXAGGSA-N 1 0 229.270 2.372 10 0 BEAERO Cc1ccc(C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000011630722 384506246 /nfs/dbraw/zinc/50/62/46/384506246.db2.gz URJJJQMQDKNYRE-LBPRGKRZSA-N 1 0 203.285 2.177 10 0 BEAERO Cc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000011630721 384507243 /nfs/dbraw/zinc/50/72/43/384507243.db2.gz URJJJQMQDKNYRE-GFCCVEGCSA-N 1 0 203.285 2.177 10 0 BEAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000048419027 384489752 /nfs/dbraw/zinc/48/97/52/384489752.db2.gz NSYHBMRVQMRYRE-QWHCGFSZSA-N 1 0 246.354 2.348 10 0 BEAERO CC[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000097044663 384491004 /nfs/dbraw/zinc/49/10/04/384491004.db2.gz AYMTYFLCEWPTPS-TZMCWYRMSA-N 1 0 248.370 2.452 10 0 BEAERO CC(C)(C)CC[NH2+][C@H]1CCc2nccn2C1 ZINC000372468348 384515036 /nfs/dbraw/zinc/51/50/36/384515036.db2.gz FWPCHIAMRHIVKM-NSHDSACASA-N 1 0 221.348 2.224 10 0 BEAERO Cc1c(C[NH2+][C@H]2CC23CCCC3)cnn1C ZINC000335868491 384531705 /nfs/dbraw/zinc/53/17/05/384531705.db2.gz PZIRHANQGCWPPA-LBPRGKRZSA-N 1 0 219.332 2.151 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000236629067 384542850 /nfs/dbraw/zinc/54/28/50/384542850.db2.gz XSOQCHPMLGBMFX-NEPJUHHUSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@H](C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000236630513 384543241 /nfs/dbraw/zinc/54/32/41/384543241.db2.gz DFIRLBONOLXYMA-LLVKDONJSA-N 1 0 226.364 2.056 10 0 BEAERO CCOC(=O)[C@@H]1CCC[N@@H+](C(C)(C)C)CC1 ZINC000261002242 384547092 /nfs/dbraw/zinc/54/70/92/384547092.db2.gz SYKSMLLBNWFFMT-LLVKDONJSA-N 1 0 227.348 2.450 10 0 BEAERO Cc1nccn1-c1ccc([C@H](C)[NH3+])cc1F ZINC000019872905 384549135 /nfs/dbraw/zinc/54/91/35/384549135.db2.gz OLYHKXCNZFOCTL-QMMMGPOBSA-N 1 0 219.263 2.340 10 0 BEAERO C[N@@H+]1CCC[C@H](c2cccc(CCO)c2)CC1 ZINC000258278755 384551947 /nfs/dbraw/zinc/55/19/47/384551947.db2.gz XGSMHCPSGHNYIA-AWEZNQCLSA-N 1 0 233.355 2.421 10 0 BEAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000334746169 384559305 /nfs/dbraw/zinc/55/93/05/384559305.db2.gz OKKWYMSYFJSQIK-NOZJJQNGSA-N 1 0 241.281 2.168 10 0 BEAERO C[C@@H]1C[C@H]([N@H+](C)CCc2ccccn2)CCN1C ZINC000123143618 384538008 /nfs/dbraw/zinc/53/80/08/384538008.db2.gz PPMXLCSVSASEKN-UKRRQHHQSA-N 1 0 247.386 2.039 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000050009554 384581923 /nfs/dbraw/zinc/58/19/23/384581923.db2.gz QAXBDFINRNMSHK-JSGCOSHPSA-N 1 0 246.354 2.488 10 0 BEAERO Cc1ccc(N(C)C(=O)[C@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000050009559 384582167 /nfs/dbraw/zinc/58/21/67/384582167.db2.gz QAXBDFINRNMSHK-TZMCWYRMSA-N 1 0 246.354 2.488 10 0 BEAERO C[NH+](C)CCNc1ccc2ccccc2n1 ZINC000021518435 384564965 /nfs/dbraw/zinc/56/49/65/384564965.db2.gz FSCKKQPHNYTTGE-UHFFFAOYSA-N 1 0 215.300 2.208 10 0 BEAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)cc1 ZINC000050393729 384622006 /nfs/dbraw/zinc/62/20/06/384622006.db2.gz IUWSHCKIAABVDD-FZMZJTMJSA-N 1 0 246.354 2.178 10 0 BEAERO CCc1ccc([C@@H]([NH3+])Cn2cccn2)cc1 ZINC000011849730 384622196 /nfs/dbraw/zinc/62/21/96/384622196.db2.gz PZLLQEOJMNVRRB-ZDUSSCGKSA-N 1 0 215.300 2.146 10 0 BEAERO Cc1cnc(N[C@H]2CC[C@H]([NH3+])CC2)nc1Cl ZINC000100259559 384627217 /nfs/dbraw/zinc/62/72/17/384627217.db2.gz DMNXNTZTKVPDGT-DTORHVGOSA-N 1 0 240.738 2.120 10 0 BEAERO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CCO)C1 ZINC000300830813 384598267 /nfs/dbraw/zinc/59/82/67/384598267.db2.gz BZXWEFYOUCOIFX-CHWSQXEVSA-N 1 0 213.365 2.373 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)c2cncc(C)c2)c1 ZINC000184394945 384599441 /nfs/dbraw/zinc/59/94/41/384599441.db2.gz MMHGCZGEVCFYGG-ZDUSSCGKSA-N 1 0 244.342 2.246 10 0 BEAERO CC(C)CCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104209806 384673208 /nfs/dbraw/zinc/67/32/08/384673208.db2.gz HLSUSZIQWCAGNR-RWMBFGLXSA-N 1 0 240.391 2.173 10 0 BEAERO CC(C)[C@H]([NH3+])CNc1ncc(Cl)cc1F ZINC000086711296 384675011 /nfs/dbraw/zinc/67/50/11/384675011.db2.gz SNGSETRVSUWBRI-SECBINFHSA-N 1 0 231.702 2.269 10 0 BEAERO CC(C)(C)OC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050928459 384649596 /nfs/dbraw/zinc/64/95/96/384649596.db2.gz JBDYPEVGKHFAQF-JTQLQIEISA-N 1 0 213.321 2.250 10 0 BEAERO Cc1csc(C2([NH2+][C@@H]3CCOC3)CCC2)n1 ZINC000272002738 384659658 /nfs/dbraw/zinc/65/96/58/384659658.db2.gz UJUNBAWUHAHUHN-SNVBAGLBSA-N 1 0 238.356 2.209 10 0 BEAERO CC(C)c1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000334967964 384723394 /nfs/dbraw/zinc/72/33/94/384723394.db2.gz CVVNLQNTUVOTOI-ZJUUUORDSA-N 1 0 237.372 2.065 10 0 BEAERO C[C@H]1Oc2c(cc(F)cc2Cl)[C@H]1[NH3+] ZINC000043635485 384724710 /nfs/dbraw/zinc/72/47/10/384724710.db2.gz HHIWXEYYJQJZBP-VHWMUFPASA-N 1 0 201.628 2.260 10 0 BEAERO CC[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000101566767 384679312 /nfs/dbraw/zinc/67/93/12/384679312.db2.gz GAUOTFRFLCQEFM-UHFFFAOYSA-N 1 0 232.331 2.464 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000300358045 384683028 /nfs/dbraw/zinc/68/30/28/384683028.db2.gz BAOUMAKRZSBJQF-NDBYEHHHSA-N 1 0 210.365 2.247 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)s1 ZINC000043256357 384683823 /nfs/dbraw/zinc/68/38/23/384683823.db2.gz FGUGTLFENRKAAZ-SVGQVSJJSA-N 1 0 205.710 2.172 10 0 BEAERO CO[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043263647 384690548 /nfs/dbraw/zinc/69/05/48/384690548.db2.gz RXTSBKWPRHEUTI-RXMQYKEDSA-N 1 0 236.134 2.157 10 0 BEAERO Cc1ccc(C[N@H+](C)C[C@H]2CCOC2)o1 ZINC000047706485 384693005 /nfs/dbraw/zinc/69/30/05/384693005.db2.gz MLWNFXUHNSLSJU-LLVKDONJSA-N 1 0 209.289 2.056 10 0 BEAERO c1ccc2c(c1)OCC[C@@H]2[C@@H]1CCC[NH2+]1 ZINC000082556928 384693973 /nfs/dbraw/zinc/69/39/73/384693973.db2.gz KUXRXHCUFYNCTC-JQWIXIFHSA-N 1 0 203.285 2.305 10 0 BEAERO c1ccc2oc(OC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000051883212 384696747 /nfs/dbraw/zinc/69/67/47/384696747.db2.gz DSVBPJYOOQCDBM-JTQLQIEISA-N 1 0 232.283 2.206 10 0 BEAERO c1ccc2oc(OCC3CC[NH2+]CC3)nc2c1 ZINC000051869945 384696835 /nfs/dbraw/zinc/69/68/35/384696835.db2.gz VUMPDJMGXIGCDN-UHFFFAOYSA-N 1 0 232.283 2.206 10 0 BEAERO Clc1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000051883046 384697241 /nfs/dbraw/zinc/69/72/41/384697241.db2.gz SKWXFPVOABRKBB-VIFPVBQESA-N 1 0 226.707 2.113 10 0 BEAERO [NH3+]Cc1nccn1Cc1ccc(Cl)s1 ZINC000051004177 384705952 /nfs/dbraw/zinc/70/59/52/384705952.db2.gz YFMHHEQSKQTIDQ-UHFFFAOYSA-N 1 0 227.720 2.105 10 0 BEAERO C[C@@H]1Oc2c(cccc2Br)[C@@H]1[NH3+] ZINC000043634681 384718836 /nfs/dbraw/zinc/71/88/36/384718836.db2.gz HLPWSUNIMSZLKN-YLWLKBPMSA-N 1 0 228.089 2.230 10 0 BEAERO C[NH2+][C@H]1c2cc(Br)ccc2O[C@H]1C ZINC000043635078 384719968 /nfs/dbraw/zinc/71/99/68/384719968.db2.gz UMQWKRFDGMCMJB-QUBYGPBYSA-N 1 0 242.116 2.491 10 0 BEAERO c1[nH]c2ccccc2c1C[C@@H]1CC[NH2+]C1 ZINC000082912690 384728009 /nfs/dbraw/zinc/72/80/09/384728009.db2.gz FMNOZIULYLZSPT-JTQLQIEISA-N 1 0 200.285 2.320 10 0 BEAERO Cc1[nH+]ccc(N2C[C@H](C)C[C@@H](O)C2)c1Cl ZINC000334812694 384732824 /nfs/dbraw/zinc/73/28/24/384732824.db2.gz MKRNTUBQLMOHIL-PSASIEDQSA-N 1 0 240.734 2.251 10 0 BEAERO COC[C@H](CC(C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309943432 384734909 /nfs/dbraw/zinc/73/49/09/384734909.db2.gz CLRPJJJQYFXBBC-NWDGAFQWSA-N 1 0 231.380 2.044 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc(C)n1C ZINC000568273313 384743939 /nfs/dbraw/zinc/74/39/39/384743939.db2.gz QSHGXNQSTBNIQQ-CMPLNLGQSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(F)c(F)c1 ZINC000083218364 384750884 /nfs/dbraw/zinc/75/08/84/384750884.db2.gz WIOTVJOXOPQTNT-DTWKUNHWSA-N 1 0 229.270 2.244 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1C ZINC000126274560 384757645 /nfs/dbraw/zinc/75/76/45/384757645.db2.gz PVXFESUJZOGPDL-JQWIXIFHSA-N 1 0 207.321 2.007 10 0 BEAERO C[C@H](CCC1CC1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000398137596 384815406 /nfs/dbraw/zinc/81/54/06/384815406.db2.gz NBMDRJFHXLEQFN-WZRBSPASSA-N 1 0 238.375 2.069 10 0 BEAERO CCOCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308574689 384823325 /nfs/dbraw/zinc/82/33/25/384823325.db2.gz DAUCTPKBEUIXEX-GHMZBOCLSA-N 1 0 203.301 2.141 10 0 BEAERO CC[C@@H]([NH2+]CCCF)c1c(C)nn(C)c1C ZINC000126997324 384828666 /nfs/dbraw/zinc/82/86/66/384828666.db2.gz JEXZKHQWFMHFPA-LLVKDONJSA-N 1 0 227.327 2.437 10 0 BEAERO CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)C(C)(C)C ZINC000310008719 384781706 /nfs/dbraw/zinc/78/17/06/384781706.db2.gz HUMSKOIJFMJWTP-YPMHNXCESA-N 1 0 229.364 2.206 10 0 BEAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000107786866 384782978 /nfs/dbraw/zinc/78/29/78/384782978.db2.gz ZERFQJUKSDDOJE-JSGCOSHPSA-N 1 0 248.370 2.440 10 0 BEAERO CC[NH+](CC)C[C@@H]1CNCc2ccccc21 ZINC000083643675 384785384 /nfs/dbraw/zinc/78/53/84/384785384.db2.gz YRDMQJZHYFBWHU-ZDUSSCGKSA-N 1 0 218.344 2.215 10 0 BEAERO [NH3+]CCc1csc(-c2ccsc2)n1 ZINC000061798259 384787224 /nfs/dbraw/zinc/78/72/24/384787224.db2.gz PQFHNHRSAZGANU-UHFFFAOYSA-N 1 0 210.327 2.373 10 0 BEAERO CCC[C@H](C)C[NH2+]C1CC[NH+](CC)CC1 ZINC000038097995 384797341 /nfs/dbraw/zinc/79/73/41/384797341.db2.gz WCPRWZNPJOCPQU-LBPRGKRZSA-N 1 0 212.381 2.497 10 0 BEAERO OC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC000087473464 384800843 /nfs/dbraw/zinc/80/08/43/384800843.db2.gz CVQXRVADYKPLTD-UHFFFAOYSA-N 1 0 211.349 2.317 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398115144 384806573 /nfs/dbraw/zinc/80/65/73/384806573.db2.gz YTJUZXSXDNOCFN-AAEUAGOBSA-N 1 0 210.365 2.249 10 0 BEAERO C[N@H+](CCc1ccncc1)C[C@@H]1CCCC[C@@H]1O ZINC000053884115 384812163 /nfs/dbraw/zinc/81/21/63/384812163.db2.gz MIKWGPONJJKQSG-GJZGRUSLSA-N 1 0 248.370 2.107 10 0 BEAERO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000042817114 384871332 /nfs/dbraw/zinc/87/13/32/384871332.db2.gz MOROXEBPKKVLDD-AVGNSLFASA-N 1 0 227.348 2.103 10 0 BEAERO C[NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000055421484 384884021 /nfs/dbraw/zinc/88/40/21/384884021.db2.gz VSOUHPQMJMFVJV-JTQLQIEISA-N 1 0 228.295 2.386 10 0 BEAERO c1ccc2c(c1)C[C@H]([C@H]1C[NH+]3CCC1CC3)O2 ZINC000013740328 384868643 /nfs/dbraw/zinc/86/86/43/384868643.db2.gz BFKVAWMWDMHLEZ-DZGCQCFKSA-N 1 0 229.323 2.332 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000084447864 384869330 /nfs/dbraw/zinc/86/93/30/384869330.db2.gz YIQSJCYCWCRBPG-RTYFJBAXSA-N 1 0 237.368 2.486 10 0 BEAERO CC(C)(C)C[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000369361542 384958573 /nfs/dbraw/zinc/95/85/73/384958573.db2.gz FVPHKXDVSZUOGF-LLVKDONJSA-N 1 0 221.348 2.081 10 0 BEAERO CCN(CC)[C@H](C)C[NH2+][C@H](C)CC1CC1 ZINC000127600290 384905065 /nfs/dbraw/zinc/90/50/65/384905065.db2.gz KHCOFFRSYCWJOZ-VXGBXAGGSA-N 1 0 212.381 2.495 10 0 BEAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC1CC1 ZINC000156645323 384916567 /nfs/dbraw/zinc/91/65/67/384916567.db2.gz REPYVTZLMUVUFG-CYBMUJFWSA-N 1 0 219.332 2.066 10 0 BEAERO CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106423748 384916847 /nfs/dbraw/zinc/91/68/47/384916847.db2.gz BCUFSALWAZWLHP-OCCSQVGLSA-N 1 0 248.370 2.074 10 0 BEAERO CC(C)(C)C[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000369361543 384959906 /nfs/dbraw/zinc/95/99/06/384959906.db2.gz FVPHKXDVSZUOGF-NSHDSACASA-N 1 0 221.348 2.081 10 0 BEAERO Cc1cscc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000087310791 384967863 /nfs/dbraw/zinc/96/78/63/384967863.db2.gz OBASXHBLSHKJNG-VXGBXAGGSA-N 1 0 225.357 2.450 10 0 BEAERO CC(C)(C)SCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000370507002 384973292 /nfs/dbraw/zinc/97/32/92/384973292.db2.gz HQDMAUNFGDHIHP-LBPRGKRZSA-N 1 0 242.432 2.298 10 0 BEAERO CSCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000156819413 384983177 /nfs/dbraw/zinc/98/31/77/384983177.db2.gz AXFAHLQLVGPXOI-CHWSQXEVSA-N 1 0 243.416 2.367 10 0 BEAERO [NH3+]Cc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000019399008 384998025 /nfs/dbraw/zinc/99/80/25/384998025.db2.gz YHXKROYHMAJWRB-UHFFFAOYSA-N 1 0 240.306 2.327 10 0 BEAERO CCCCCNC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339514781 385009171 /nfs/dbraw/zinc/00/91/71/385009171.db2.gz WWMJLRQRXXKAQG-LBPRGKRZSA-N 1 0 240.391 2.460 10 0 BEAERO CC(C)(C)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000057831128 384964398 /nfs/dbraw/zinc/96/43/98/384964398.db2.gz VNWDZVLGZHJFDB-UHFFFAOYSA-N 1 0 242.269 2.291 10 0 BEAERO CC[n+]1ccc(-c2nc3ccc(N)cc3o2)cc1 ZINC000226777845 385051711 /nfs/dbraw/zinc/05/17/11/385051711.db2.gz CFJSPADDZQUMFI-UHFFFAOYSA-O 1 0 240.286 2.384 10 0 BEAERO Cc1ccc2[nH]c(-c3cc[n+](C)cc3)nc2c1 ZINC000226773671 385052708 /nfs/dbraw/zinc/05/27/08/385052708.db2.gz JKSFINWWZTYGDL-UHFFFAOYSA-O 1 0 224.287 2.363 10 0 BEAERO F[C@]1(c2occc2Br)CC[NH2+]C1 ZINC000156420433 385054030 /nfs/dbraw/zinc/05/40/30/385054030.db2.gz DXSRVBJNRAJQPK-MRVPVSSYSA-N 1 0 234.068 2.200 10 0 BEAERO Cc1nn(C)cc1-c1cc(C[NH3+])ccc1C ZINC000164996636 385057175 /nfs/dbraw/zinc/05/71/75/385057175.db2.gz CNVFKXIJORPZBY-UHFFFAOYSA-N 1 0 215.300 2.163 10 0 BEAERO COc1cc(Br)ccc1[C@@H](C)[NH3+] ZINC000060176221 385069817 /nfs/dbraw/zinc/06/98/17/385069817.db2.gz YNTNFAMPGFYIOW-ZCFIWIBFSA-N 1 0 230.105 2.477 10 0 BEAERO CC[C@H]([NH2+]Cc1nccn1CC)C(C)C ZINC000051924131 385074608 /nfs/dbraw/zinc/07/46/08/385074608.db2.gz QSVQZZWQMBFCRE-NSHDSACASA-N 1 0 209.337 2.427 10 0 BEAERO Cc1cc(Br)cc2nc(C[NH3+])[nH]c21 ZINC000062152754 385075549 /nfs/dbraw/zinc/07/55/49/385075549.db2.gz GRIIBKHMMWMTLO-UHFFFAOYSA-N 1 0 240.104 2.093 10 0 BEAERO CC(C)[C@H](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262742136 385081828 /nfs/dbraw/zinc/08/18/28/385081828.db2.gz JBFCCIZETKGCIT-AGIUHOORSA-N 1 0 240.391 2.397 10 0 BEAERO [NH3+]C1CC(F)(c2occc2Br)C1 ZINC000156408781 385040819 /nfs/dbraw/zinc/04/08/19/385040819.db2.gz RUEXNFQBBAMFBO-UHFFFAOYSA-N 1 0 234.068 2.328 10 0 BEAERO FC1(c2cscc2Br)CNC1 ZINC000156390544 385042689 /nfs/dbraw/zinc/04/26/89/385042689.db2.gz LDWCKMLIMFGIGT-UHFFFAOYSA-N 1 0 236.109 2.279 10 0 BEAERO CCCCCCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377338013 385042968 /nfs/dbraw/zinc/04/29/68/385042968.db2.gz SDXISTXKCTYLON-QWHCGFSZSA-N 1 0 238.375 2.025 10 0 BEAERO Cc1cnn(CC[NH2+]CCCC(C)C)c1 ZINC000053534739 385119236 /nfs/dbraw/zinc/11/92/36/385119236.db2.gz LHWCPQCPQHTCJB-UHFFFAOYSA-N 1 0 209.337 2.217 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)c1cncc(F)c1 ZINC000129241345 385125743 /nfs/dbraw/zinc/12/57/43/385125743.db2.gz BYWDKQONGMCVIE-CWSCBRNRSA-N 1 0 238.306 2.032 10 0 BEAERO CC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000061679411 385129675 /nfs/dbraw/zinc/12/96/75/385129675.db2.gz XSIWPLIDAWQTEF-NSHDSACASA-N 1 0 240.734 2.036 10 0 BEAERO OC1(C[NH+]2CCC(C3CC3)CC2)CCC1 ZINC000644719131 385138518 /nfs/dbraw/zinc/13/85/18/385138518.db2.gz LMHJLROVQUFDBW-UHFFFAOYSA-N 1 0 209.333 2.023 10 0 BEAERO CC[C@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000090773191 385092794 /nfs/dbraw/zinc/09/27/94/385092794.db2.gz STRITDZSTAFZSU-QWHCGFSZSA-N 1 0 212.381 2.495 10 0 BEAERO CC[C@H]([NH2+]C[C@](C)(O)CC)c1nccs1 ZINC000119381198 385094184 /nfs/dbraw/zinc/09/41/84/385094184.db2.gz SRHJCFDFXIBYGV-GXSJLCMTSA-N 1 0 228.361 2.345 10 0 BEAERO CC1(C(=O)OCc2ccccc2)CC[NH2+]CC1 ZINC000062842515 385190529 /nfs/dbraw/zinc/19/05/29/385190529.db2.gz NIUOXPFOKFTCJG-UHFFFAOYSA-N 1 0 233.311 2.120 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)o1 ZINC000119875104 385175206 /nfs/dbraw/zinc/17/52/06/385175206.db2.gz MFRQYIAOTVKKAT-HBNTYKKESA-N 1 0 209.289 2.416 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)o1 ZINC000119874938 385175795 /nfs/dbraw/zinc/17/57/95/385175795.db2.gz MFRQYIAOTVKKAT-GMTAPVOTSA-N 1 0 209.289 2.416 10 0 BEAERO CCCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107629167 385207650 /nfs/dbraw/zinc/20/76/50/385207650.db2.gz QSCVDVGFJTZBQN-ZDUSSCGKSA-N 1 0 238.375 2.263 10 0 BEAERO CCCC(CCC)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000119777644 385220832 /nfs/dbraw/zinc/22/08/32/385220832.db2.gz CZCJQNZKXXDCNG-ZDUSSCGKSA-N 1 0 240.391 2.413 10 0 BEAERO Cc1cscc1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000306876791 385223315 /nfs/dbraw/zinc/22/33/15/385223315.db2.gz CBCWGMTZYUWFQV-UWVGGRQHSA-N 1 0 210.346 2.466 10 0 BEAERO [NH3+]Cc1ccc(-c2cccnc2)cc1F ZINC000038069889 385311578 /nfs/dbraw/zinc/31/15/78/385311578.db2.gz YJWZMHBVNFMOBN-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO C[C@@H]([NH3+])c1cnn(Cc2ccccc2F)c1 ZINC000054716888 385319543 /nfs/dbraw/zinc/31/95/43/385319543.db2.gz UZRXIUIZJYWIFS-SECBINFHSA-N 1 0 219.263 2.090 10 0 BEAERO C(c1nc(C2CCCC2)no1)[C@@H]1CCC[NH2+]C1 ZINC000054301478 385320106 /nfs/dbraw/zinc/32/01/06/385320106.db2.gz LOYAULRPPMPMGA-JTQLQIEISA-N 1 0 235.331 2.269 10 0 BEAERO CCc1cc(N[C@H]2CCO[C@@H]2C)cc[nH+]1 ZINC000307766711 385259393 /nfs/dbraw/zinc/25/93/93/385259393.db2.gz FOQLUIPAYLNWMO-SKDRFNHKSA-N 1 0 206.289 2.233 10 0 BEAERO c1ccc2c(c1)OC[C@H]2[NH2+]CC[C@@H]1CCOC1 ZINC000346870257 385266586 /nfs/dbraw/zinc/26/65/86/385266586.db2.gz LSTFSQFRCQWWDB-DGCLKSJQSA-N 1 0 233.311 2.136 10 0 BEAERO CC[C@](C)(O)C[N@H+](C)Cc1cccc(OC)c1 ZINC000168032452 385346392 /nfs/dbraw/zinc/34/63/92/385346392.db2.gz QXHNVUYPDPZKTQ-AWEZNQCLSA-N 1 0 237.343 2.288 10 0 BEAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)O ZINC000131758573 385357524 /nfs/dbraw/zinc/35/75/24/385357524.db2.gz YPLFTNWYFSSQHA-ZDEQEGDKSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1CC1(C)C ZINC000309024314 385366198 /nfs/dbraw/zinc/36/61/98/385366198.db2.gz YZTWRJVZYQWPNS-DCAQKATOSA-N 1 0 213.365 2.418 10 0 BEAERO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCO[C@@H]1C ZINC000309024288 385366346 /nfs/dbraw/zinc/36/63/46/385366346.db2.gz YZMXSGVWFCBFCZ-HLTSFMKQSA-N 1 0 225.254 2.484 10 0 BEAERO CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])c1cccs1 ZINC000165379732 385382153 /nfs/dbraw/zinc/38/21/53/385382153.db2.gz DWQMJGXJLISUDM-BBBLOLIVSA-N 1 0 240.372 2.299 10 0 BEAERO C[C@@H]1C[C@H]([NH3+])[C@@H](C)N(Cc2ccccc2)C1 ZINC000169616759 385415584 /nfs/dbraw/zinc/41/55/84/385415584.db2.gz MPGWATXLKGPBOP-BZPMIXESSA-N 1 0 218.344 2.244 10 0 BEAERO Cc1ccc(CCC[NH2+][C@H]2C[C@@H]2C)cn1 ZINC000309161810 385442711 /nfs/dbraw/zinc/44/27/11/385442711.db2.gz ZKRGGQZCGMWPJT-GWCFXTLKSA-N 1 0 204.317 2.321 10 0 BEAERO [NH3+]C[C@H](F)c1cscc1Br ZINC000156357616 385447496 /nfs/dbraw/zinc/44/74/96/385447496.db2.gz HWDOZQZJZNVORA-LURJTMIESA-N 1 0 224.098 2.480 10 0 BEAERO Nc1c(F)cccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000156368406 385448519 /nfs/dbraw/zinc/44/85/19/385448519.db2.gz SFNOGWJSBWDYFG-NSHDSACASA-N 1 0 238.306 2.067 10 0 BEAERO Cc1cc(C)cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000281860656 385452973 /nfs/dbraw/zinc/45/29/73/385452973.db2.gz ALEAPZYULQRFCB-JSGCOSHPSA-N 1 0 246.354 2.060 10 0 BEAERO Cc1ccccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171067973 385466034 /nfs/dbraw/zinc/46/60/34/385466034.db2.gz BQLQIESFYGGYRB-GFCCVEGCSA-N 1 0 247.342 2.163 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCC(C(=O)OC)CC1 ZINC000336723728 385491891 /nfs/dbraw/zinc/49/18/91/385491891.db2.gz YWBITTXFTOOILP-MVKMKZAISA-N 1 0 239.359 2.496 10 0 BEAERO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@@H]1CCCO1 ZINC000183091163 385508545 /nfs/dbraw/zinc/50/85/45/385508545.db2.gz LDKYWNIUPGJVSI-KOLCDFICSA-N 1 0 240.734 2.392 10 0 BEAERO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@H]1CCCO1 ZINC000183091196 385508730 /nfs/dbraw/zinc/50/87/30/385508730.db2.gz LDKYWNIUPGJVSI-MWLCHTKSSA-N 1 0 240.734 2.392 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282244411 385540323 /nfs/dbraw/zinc/54/03/23/385540323.db2.gz JFOJGWWCQVZQOX-SCRDCRAPSA-N 1 0 246.354 2.313 10 0 BEAERO CC(C)N(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000172096148 385548942 /nfs/dbraw/zinc/54/89/42/385548942.db2.gz WCKVOTDOZPIHTQ-AWEZNQCLSA-N 1 0 248.370 2.026 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccccc1 ZINC000282222208 385525879 /nfs/dbraw/zinc/52/58/79/385525879.db2.gz DYYHNZHCNIFQHX-DYEKYZERSA-N 1 0 246.354 2.047 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccccc1 ZINC000282222206 385526339 /nfs/dbraw/zinc/52/63/39/385526339.db2.gz DYYHNZHCNIFQHX-BZPMIXESSA-N 1 0 246.354 2.047 10 0 BEAERO COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]CCF ZINC000309414996 385575143 /nfs/dbraw/zinc/57/51/43/385575143.db2.gz CLPBUAYLJOBTBS-QWRGUYRKSA-N 1 0 231.311 2.058 10 0 BEAERO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CCF ZINC000309414993 385575525 /nfs/dbraw/zinc/57/55/25/385575525.db2.gz CLPBUAYLJOBTBS-MNOVXSKESA-N 1 0 231.311 2.058 10 0 BEAERO CCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107524669 385570397 /nfs/dbraw/zinc/57/03/97/385570397.db2.gz WJOAYBXMLFCMLH-CYBMUJFWSA-N 1 0 238.375 2.263 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CC2(C)C)c1 ZINC000309402505 385571283 /nfs/dbraw/zinc/57/12/83/385571283.db2.gz HNXHIVFFGQRONT-RYUDHWBXSA-N 1 0 221.348 2.216 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H](C)[C@H]2CC2(C)C)c1 ZINC000309402504 385571336 /nfs/dbraw/zinc/57/13/36/385571336.db2.gz HNXHIVFFGQRONT-NWDGAFQWSA-N 1 0 221.348 2.216 10 0 BEAERO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037164412 385597725 /nfs/dbraw/zinc/59/77/25/385597725.db2.gz KAHTZXVXQYITQY-ZIAGYGMSSA-N 1 0 249.354 2.478 10 0 BEAERO COc1ccccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037164437 385597850 /nfs/dbraw/zinc/59/78/50/385597850.db2.gz BMUIEJDPPHFNOQ-QWHCGFSZSA-N 1 0 235.327 2.088 10 0 BEAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CC(F)(F)C2)C1(C)C ZINC000309444190 385584025 /nfs/dbraw/zinc/58/40/25/385584025.db2.gz JHPIDRJIWNSETF-SZEHBUNVSA-N 1 0 233.302 2.433 10 0 BEAERO CC(C)[C@H]([NH3+])c1nc(C(F)(F)F)c[nH]1 ZINC000036876938 385588547 /nfs/dbraw/zinc/58/85/47/385588547.db2.gz VAFWDMXSHKDTHH-LURJTMIESA-N 1 0 207.199 2.084 10 0 BEAERO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121134178 385646118 /nfs/dbraw/zinc/64/61/18/385646118.db2.gz UYXBLUGVVCWAOL-UWVGGRQHSA-N 1 0 239.281 2.420 10 0 BEAERO C[C@@H]1[C@H](N)CC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000394838239 385654697 /nfs/dbraw/zinc/65/46/97/385654697.db2.gz SDZDNNXPGVVYCC-FDYHWXHSSA-N 1 0 210.365 2.234 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000252689486 385656122 /nfs/dbraw/zinc/65/61/22/385656122.db2.gz RJERTUFJQBPRMB-BPNCWPANSA-N 1 0 217.312 2.441 10 0 BEAERO CC(C)[C@H](C)[NH2+]C[C@H]1CCCn2ccnc21 ZINC000309541170 385673815 /nfs/dbraw/zinc/67/38/15/385673815.db2.gz DVWQVXCHOOBLHI-NWDGAFQWSA-N 1 0 221.348 2.395 10 0 BEAERO CO[C@H](C)CC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000336735033 385692043 /nfs/dbraw/zinc/69/20/43/385692043.db2.gz LLIVGSDKKSXBLW-WRWGMCAJSA-N 1 0 229.364 2.061 10 0 BEAERO CCCc1nc2c(s1)C[C@@H]([NH2+]C)CC2 ZINC000211846926 385696111 /nfs/dbraw/zinc/69/61/11/385696111.db2.gz MRCHLKQEHNUHOE-QMMMGPOBSA-N 1 0 210.346 2.172 10 0 BEAERO C[C@@]1(c2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000052126025 385698528 /nfs/dbraw/zinc/69/85/28/385698528.db2.gz STQRDQYOJVEXSX-UWVGGRQHSA-N 1 0 226.117 2.438 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000052395686 385732404 /nfs/dbraw/zinc/73/24/04/385732404.db2.gz BALNFLLNRJMQGH-DTWKUNHWSA-N 1 0 240.734 2.125 10 0 BEAERO CC[C@@H]([NH2+]CCCCS(C)(=O)=O)C(C)(C)C ZINC000336736195 385740873 /nfs/dbraw/zinc/74/08/73/385740873.db2.gz MLEWIZLTFBRTKE-LLVKDONJSA-N 1 0 249.420 2.226 10 0 BEAERO C=Cn1cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000282301672 385750721 /nfs/dbraw/zinc/75/07/21/385750721.db2.gz RUHAYQKTMVKPJF-VXGBXAGGSA-N 1 0 249.358 2.277 10 0 BEAERO CSC1(C[NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000336698931 385752101 /nfs/dbraw/zinc/75/21/01/385752101.db2.gz OSHOHHLYXUQQAR-QWRGUYRKSA-N 1 0 229.389 2.023 10 0 BEAERO CCN1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000414548927 385724449 /nfs/dbraw/zinc/72/44/49/385724449.db2.gz LCOLFTGTVXGWMO-CQSZACIVSA-N 1 0 248.370 2.187 10 0 BEAERO CCCn1cc(C[NH2+][C@H](C)C(C)C)cn1 ZINC000116912425 385803619 /nfs/dbraw/zinc/80/36/19/385803619.db2.gz TUDHVFBPTPXJQX-LLVKDONJSA-N 1 0 209.337 2.427 10 0 BEAERO CC[C@H]([NH2+]CC1([S@@](C)=O)CC1)C(C)(C)C ZINC000336740407 385811130 /nfs/dbraw/zinc/81/11/30/385811130.db2.gz UKGGDQNVNAFBEC-ZUZCIYMTSA-N 1 0 231.405 2.312 10 0 BEAERO CC(C)C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000121404470 385843075 /nfs/dbraw/zinc/84/30/75/385843075.db2.gz PQRGBCCABJWYAV-UWVGGRQHSA-N 1 0 239.281 2.278 10 0 BEAERO FC1(F)CCC[C@@H]([NH2+]C2CSC2)C1 ZINC000575533144 385887224 /nfs/dbraw/zinc/88/72/24/385887224.db2.gz FKGNZKIORAXGRZ-SSDOTTSWSA-N 1 0 207.289 2.269 10 0 BEAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000336720881 385890363 /nfs/dbraw/zinc/89/03/63/385890363.db2.gz ZHYRTXBMELPBQV-YVECIDJPSA-N 1 0 242.432 2.199 10 0 BEAERO Cc1ccsc1[C@H](O)C[NH+]1CCCC1 ZINC000307094531 385905445 /nfs/dbraw/zinc/90/54/45/385905445.db2.gz FFLWPRQOBATNNK-SNVBAGLBSA-N 1 0 211.330 2.186 10 0 BEAERO CCNC(=[NH2+])c1ccc(F)c(Cl)c1 ZINC000062994586 385916655 /nfs/dbraw/zinc/91/66/55/385916655.db2.gz QSBILMYYELSJQU-UHFFFAOYSA-N 1 0 200.644 2.414 10 0 BEAERO CNC(=[NH2+])Cc1cccc(Br)c1 ZINC000062994493 385917800 /nfs/dbraw/zinc/91/78/00/385917800.db2.gz XYUDMRDFPGIWEZ-UHFFFAOYSA-N 1 0 227.105 2.188 10 0 BEAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1COc2ccccc21 ZINC000336769547 385981629 /nfs/dbraw/zinc/98/16/29/385981629.db2.gz VSMOEONOHQICJE-JFGNBEQYSA-N 1 0 203.285 2.366 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OC)n1 ZINC000233307378 385934055 /nfs/dbraw/zinc/93/40/55/385934055.db2.gz JZWUJBQJKIYBSU-ZYHUDNBSSA-N 1 0 220.316 2.368 10 0 BEAERO CC(C)([NH3+])CCCNC(=O)OC(C)(C)C ZINC000219501244 385936285 /nfs/dbraw/zinc/93/62/85/385936285.db2.gz OLMOMQPMUBCXAM-UHFFFAOYSA-N 1 0 216.325 2.029 10 0 BEAERO CC(C)(C)C(=[NH2+])N[C@H]1CSC1(C)C ZINC000307646697 385937224 /nfs/dbraw/zinc/93/72/24/385937224.db2.gz CLESUSGNZACNRQ-ZETCQYMHSA-N 1 0 200.351 2.493 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)[C@@H]1CC1(C)C ZINC000414091726 385957120 /nfs/dbraw/zinc/95/71/20/385957120.db2.gz DXVCWNZYUSMKRK-SRVKXCTJSA-N 1 0 238.375 2.022 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000336721895 386002668 /nfs/dbraw/zinc/00/26/68/386002668.db2.gz DPYAAGAVNHFDAJ-OLZOCXBDSA-N 1 0 221.348 2.442 10 0 BEAERO CCSCC[NH2+]C[C@H]1CC12CCOCC2 ZINC000336770322 386010750 /nfs/dbraw/zinc/01/07/50/386010750.db2.gz VRVGAHDFQYPCJA-LLVKDONJSA-N 1 0 229.389 2.146 10 0 BEAERO COc1cccnc1N[C@H](C)CCCC[NH3+] ZINC000309445026 386010867 /nfs/dbraw/zinc/01/08/67/386010867.db2.gz MRLXYIZTLUSJIY-SNVBAGLBSA-N 1 0 223.320 2.020 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)N(C)C ZINC000336770233 386011810 /nfs/dbraw/zinc/01/18/10/386011810.db2.gz VKWFQQKELARCOF-YNEHKIRRSA-N 1 0 212.381 2.495 10 0 BEAERO C(C[N@@H+]1CCCC12CCCC2)C1OCCO1 ZINC000366105176 386080056 /nfs/dbraw/zinc/08/00/56/386080056.db2.gz UHPLGVIYPGIOAS-UHFFFAOYSA-N 1 0 225.332 2.158 10 0 BEAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccnn1C ZINC000336729523 386123254 /nfs/dbraw/zinc/12/32/54/386123254.db2.gz HSIFAJRZBMNDDN-DGCLKSJQSA-N 1 0 221.348 2.479 10 0 BEAERO COC[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000130570389 386175618 /nfs/dbraw/zinc/17/56/18/386175618.db2.gz PYYLAGOBQRWAPQ-GFCCVEGCSA-N 1 0 246.354 2.123 10 0 BEAERO CCC[C@@H](C)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000189993285 386140450 /nfs/dbraw/zinc/14/04/50/386140450.db2.gz GDEXZYJYQSHGMN-YPMHNXCESA-N 1 0 227.348 2.450 10 0 BEAERO [NH3+][C@H]1C[C@@H]1c1cc(F)ccc1Br ZINC000236318237 386252113 /nfs/dbraw/zinc/25/21/13/386252113.db2.gz KYTNKOSONZQXDC-APPZFPTMSA-N 1 0 230.080 2.403 10 0 BEAERO [NH3+]CCCN1CCCC[C@H]1c1nccs1 ZINC000414696337 386197284 /nfs/dbraw/zinc/19/72/84/386197284.db2.gz QBBDIMBSOXXQLC-JTQLQIEISA-N 1 0 225.361 2.019 10 0 BEAERO C[NH2+]C[C@H]1C[C@H]1c1ncc(Cl)s1 ZINC000223244998 386285010 /nfs/dbraw/zinc/28/50/10/386285010.db2.gz VFMPBQKSYPOQCO-PHDIDXHHSA-N 1 0 202.710 2.119 10 0 BEAERO Cc1nocc1CN[C@H](CC(C)C)C[NH+](C)C ZINC000339240696 386315860 /nfs/dbraw/zinc/31/58/60/386315860.db2.gz POKCRKQZTFVRLC-CYBMUJFWSA-N 1 0 239.363 2.049 10 0 BEAERO Cc1cccc(C)c1NC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000335275718 386336583 /nfs/dbraw/zinc/33/65/83/386336583.db2.gz CCKAUYGCFBSXCA-NWDGAFQWSA-N 1 0 247.342 2.114 10 0 BEAERO Cc1ccc2c(c1)SN(CC[NH3+])S2 ZINC000521400059 386441739 /nfs/dbraw/zinc/44/17/39/386441739.db2.gz XDHOAWKHVPQDRT-UHFFFAOYSA-N 1 0 212.343 2.284 10 0 BEAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1nc2ccccc2o1 ZINC000399196927 386447584 /nfs/dbraw/zinc/44/75/84/386447584.db2.gz DMKAZUKLAINNEG-QWRGUYRKSA-N 1 0 246.310 2.173 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399112531 386414113 /nfs/dbraw/zinc/41/41/13/386414113.db2.gz ZMKCVXYQEHZNRJ-SMDDNHRTSA-N 1 0 246.354 2.300 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000399148776 386428069 /nfs/dbraw/zinc/42/80/69/386428069.db2.gz DKFFCEOTLASWII-NSHDSACASA-N 1 0 246.354 2.036 10 0 BEAERO CC(C)[C@](C)(O)C[N@@H+]1CCC2(CCC2)C1 ZINC000187158913 386470635 /nfs/dbraw/zinc/47/06/35/386470635.db2.gz KTXGGGGZTGTSCD-GFCCVEGCSA-N 1 0 211.349 2.269 10 0 BEAERO [NH3+]CCc1[nH]nc2c1cccc2C(F)(F)F ZINC000299889070 386498413 /nfs/dbraw/zinc/49/84/13/386498413.db2.gz DAIWOZQFMIQZLI-UHFFFAOYSA-N 1 0 229.205 2.083 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000135283094 386498823 /nfs/dbraw/zinc/49/88/23/386498823.db2.gz JOXLXCZFBIDELT-STQMWFEESA-N 1 0 238.375 2.310 10 0 BEAERO CC[C@H]1CCCCCN1C(=O)C[NH2+]CC1CC1 ZINC000135282634 386500614 /nfs/dbraw/zinc/50/06/14/386500614.db2.gz LHOQXRLRSMMAJX-ZDUSSCGKSA-N 1 0 238.375 2.167 10 0 BEAERO Cn1cccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245514588 386595360 /nfs/dbraw/zinc/59/53/60/386595360.db2.gz GFFHVKIIEUQWBM-ZIAGYGMSSA-N 1 0 234.343 2.169 10 0 BEAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cn[nH]c1 ZINC000287750524 386546334 /nfs/dbraw/zinc/54/63/34/386546334.db2.gz LPKSGUIQWAKESX-JQWIXIFHSA-N 1 0 227.311 2.400 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136191743 386568584 /nfs/dbraw/zinc/56/85/84/386568584.db2.gz WBIKIMJDROIRKY-OCCSQVGLSA-N 1 0 238.375 2.023 10 0 BEAERO CC(C)(C[NH3+])c1ncccc1Br ZINC000307469490 386677900 /nfs/dbraw/zinc/67/79/00/386677900.db2.gz NFCMJIPKXREKNH-UHFFFAOYSA-N 1 0 229.121 2.080 10 0 BEAERO CC(C)c1csc(C2([NH3+])CSC2)n1 ZINC000307357015 386730531 /nfs/dbraw/zinc/73/05/31/386730531.db2.gz CFICQHRAOAFJEG-UHFFFAOYSA-N 1 0 214.359 2.167 10 0 BEAERO CC(C)=CC[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000191106692 386720590 /nfs/dbraw/zinc/72/05/90/386720590.db2.gz GZZUIBMNGGCAAQ-JHJVBQTASA-N 1 0 209.333 2.500 10 0 BEAERO COc1ccccc1NC(=O)C1([NH3+])CCCCC1 ZINC000019481077 386755301 /nfs/dbraw/zinc/75/53/01/386755301.db2.gz MLKMGDOHSFYRFX-UHFFFAOYSA-N 1 0 248.326 2.295 10 0 BEAERO N[C@@H](C[NH3+])c1c(Cl)cccc1C(F)(F)F ZINC000044473259 386781163 /nfs/dbraw/zinc/78/11/63/386781163.db2.gz VBKGRRQWQAJVBR-ZETCQYMHSA-N 1 0 238.640 2.317 10 0 BEAERO N[C@H](C[NH3+])c1c(Cl)cccc1C(F)(F)F ZINC000044473256 386781437 /nfs/dbraw/zinc/78/14/37/386781437.db2.gz VBKGRRQWQAJVBR-SSDOTTSWSA-N 1 0 238.640 2.317 10 0 BEAERO COCc1cc(Br)c(C[NH3+])s1 ZINC000575453263 386809706 /nfs/dbraw/zinc/80/97/06/386809706.db2.gz ARSZJLYJPPVURT-UHFFFAOYSA-N 1 0 236.134 2.116 10 0 BEAERO Cc1cc(CC[NH3+])ccc1OC(F)(F)F ZINC000044372546 386814264 /nfs/dbraw/zinc/81/42/64/386814264.db2.gz OMTVAOVEQAAODC-UHFFFAOYSA-N 1 0 219.206 2.395 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1ncc(C)c(C)n1 ZINC000395413082 386828338 /nfs/dbraw/zinc/82/83/38/386828338.db2.gz ITKQSZYVKRWCDT-NSHDSACASA-N 1 0 222.336 2.023 10 0 BEAERO Cc1ncsc1[C@H]([NH3+])[C@@H]1CCSC1 ZINC000575453825 386829266 /nfs/dbraw/zinc/82/92/66/386829266.db2.gz IUCFNJLLDHWSLK-HTQZYQBOSA-N 1 0 214.359 2.204 10 0 BEAERO C[C@H]1COC[C@H](C)[NH+]1CC1CC(F)(F)C1 ZINC000334792139 386857761 /nfs/dbraw/zinc/85/77/61/386857761.db2.gz QJSFWKJCRXRTHO-IUCAKERBSA-N 1 0 219.275 2.141 10 0 BEAERO CCCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000334794662 386861914 /nfs/dbraw/zinc/86/19/14/386861914.db2.gz CRSIGNOZTXMFBB-VXGBXAGGSA-N 1 0 209.333 2.287 10 0 BEAERO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H](O)C(F)(F)F ZINC000335747224 386869977 /nfs/dbraw/zinc/86/99/77/386869977.db2.gz HQZASUICNCXOKG-BDAKNGLRSA-N 1 0 237.265 2.174 10 0 BEAERO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114563961 386879870 /nfs/dbraw/zinc/87/98/70/386879870.db2.gz BYAAEJILIVNOSE-OCCSQVGLSA-N 1 0 237.343 2.370 10 0 BEAERO Cc1n[nH]cc1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000341476185 386916398 /nfs/dbraw/zinc/91/63/98/386916398.db2.gz FSPFMSCAUARSQE-UWVGGRQHSA-N 1 0 237.347 2.011 10 0 BEAERO Cc1n[nH]cc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341476184 386916846 /nfs/dbraw/zinc/91/68/46/386916846.db2.gz FSPFMSCAUARSQE-PEGIJTEDSA-N 1 0 237.347 2.011 10 0 BEAERO C[C@H]([NH2+]C[C@H](O)C1CC1)C1C(C)(C)C1(C)C ZINC000336739725 386896596 /nfs/dbraw/zinc/89/65/96/386896596.db2.gz LPTKSTURQKILBN-ONGXEEELSA-N 1 0 225.376 2.418 10 0 BEAERO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000334854424 386905591 /nfs/dbraw/zinc/90/55/91/386905591.db2.gz MXRGYIRBIBGOLL-NWDGAFQWSA-N 1 0 210.365 2.106 10 0 BEAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000395111515 386929573 /nfs/dbraw/zinc/92/95/73/386929573.db2.gz HANUCHHVXQZJIS-SQWLQELKSA-N 1 0 245.366 2.419 10 0 BEAERO O=C1CCCN1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116297877 386933423 /nfs/dbraw/zinc/93/34/23/386933423.db2.gz UJFMWKVSRQBDSM-LBPRGKRZSA-N 1 0 248.326 2.039 10 0 BEAERO CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000082327523 386944516 /nfs/dbraw/zinc/94/45/16/386944516.db2.gz GQBQSJMZBRDDAB-GXFFZTMASA-N 1 0 240.347 2.125 10 0 BEAERO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000398699635 386953378 /nfs/dbraw/zinc/95/33/78/386953378.db2.gz SLOXQRJVPYSGAL-VNHYZAJKSA-N 1 0 245.366 2.277 10 0 BEAERO CCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398738845 386979916 /nfs/dbraw/zinc/97/99/16/386979916.db2.gz FLALUBCWFDWQDG-ZDEQEGDKSA-N 1 0 211.349 2.268 10 0 BEAERO CC1(C)C[NH2+]C[C@@H](c2ccc(F)cc2)O1 ZINC000011803112 386994434 /nfs/dbraw/zinc/99/44/34/386994434.db2.gz AONBUGKSZPVRIM-NSHDSACASA-N 1 0 209.264 2.265 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2C1 ZINC000398811634 386996293 /nfs/dbraw/zinc/99/62/93/386996293.db2.gz VWWXLNRKWDDRDJ-SDDRHHMPSA-N 1 0 245.313 2.125 10 0 BEAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2C1 ZINC000398689160 386950151 /nfs/dbraw/zinc/95/01/51/386950151.db2.gz BSNLWENZKBBQLW-MRVWCRGKSA-N 1 0 249.329 2.419 10 0 BEAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000398689148 386950585 /nfs/dbraw/zinc/95/05/85/386950585.db2.gz BSNLWENZKBBQLW-FPMFFAJLSA-N 1 0 249.329 2.419 10 0 BEAERO Cc1cc([C@]2([NH3+])CCCSC2)sn1 ZINC000575464278 387044700 /nfs/dbraw/zinc/04/47/00/387044700.db2.gz HXVCQOQCQVVAAL-VIFPVBQESA-N 1 0 214.359 2.133 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])Cc1coc(Br)c1 ZINC000575582675 387057333 /nfs/dbraw/zinc/05/73/33/387057333.db2.gz QHCIJQLMDLPJJU-MUWHJKNJSA-N 1 0 230.105 2.322 10 0 BEAERO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)NC(C)(C)C ZINC000117347357 387016601 /nfs/dbraw/zinc/01/66/01/387016601.db2.gz VDPDLYMHCQBCMY-GFCCVEGCSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C[C@H](C)O1 ZINC000418051679 387070545 /nfs/dbraw/zinc/07/05/45/387070545.db2.gz YZPBTYDIFXMAMV-YVECIDJPSA-N 1 0 241.375 2.347 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1nccs1 ZINC000246368090 387079843 /nfs/dbraw/zinc/07/98/43/387079843.db2.gz IZSUFPGBTZPSGB-DCAQKATOSA-N 1 0 240.372 2.345 10 0 BEAERO [NH3+][C@@]1(c2cnsc2)CCCSCC1 ZINC000575466739 387081552 /nfs/dbraw/zinc/08/15/52/387081552.db2.gz FIMNUXSMSAIWIU-VIFPVBQESA-N 1 0 214.359 2.214 10 0 BEAERO Clc1cccnc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334993436 387084105 /nfs/dbraw/zinc/08/41/05/387084105.db2.gz RCUHSBYUDAZGLJ-AOOOYVTPSA-N 1 0 237.734 2.066 10 0 BEAERO [NH3+][C@@H](CC(F)F)c1ccc2c(c1)OCO2 ZINC000575437192 387105009 /nfs/dbraw/zinc/10/50/09/387105009.db2.gz AFTPMWPOEHCKGX-ZETCQYMHSA-N 1 0 215.199 2.070 10 0 BEAERO COC(=O)c1ccccc1[C@H]([NH3+])CC(F)F ZINC000575437364 387106905 /nfs/dbraw/zinc/10/69/05/387106905.db2.gz UKRUHFWYQZTPKS-SECBINFHSA-N 1 0 229.226 2.128 10 0 BEAERO COc1ccc([C@H]([NH3+])CC(F)F)c(F)c1 ZINC000575437742 387110408 /nfs/dbraw/zinc/11/04/08/387110408.db2.gz RYRCUIJVKQPAGF-SECBINFHSA-N 1 0 219.206 2.489 10 0 BEAERO COc1cccc(F)c1[C@H]([NH3+])CCF ZINC000575438043 387111896 /nfs/dbraw/zinc/11/18/96/387111896.db2.gz AVQDCEWJEBPPAO-MRVPVSSYSA-N 1 0 201.216 2.194 10 0 BEAERO COc1ccc(OC)c([C@H]([NH3+])CCF)c1 ZINC000575438891 387120249 /nfs/dbraw/zinc/12/02/49/387120249.db2.gz FHXPCQUIBIKPIO-SNVBAGLBSA-N 1 0 213.252 2.063 10 0 BEAERO [NH3+][C@@H](CCF)c1cc(F)c(F)cc1F ZINC000575439613 387123754 /nfs/dbraw/zinc/12/37/54/387123754.db2.gz VOQDFDPIFIOAQS-VIFPVBQESA-N 1 0 207.170 2.463 10 0 BEAERO [NH3+][C@H](CCF)c1c(F)ccc(F)c1F ZINC000575439388 387123927 /nfs/dbraw/zinc/12/39/27/387123927.db2.gz IEDFXCCGDHPNPZ-SSDOTTSWSA-N 1 0 207.170 2.463 10 0 BEAERO COc1ccc(F)cc1[C@@H]([NH3+])CCF ZINC000575438458 387128786 /nfs/dbraw/zinc/12/87/86/387128786.db2.gz JEDOBOKBDUEILX-VIFPVBQESA-N 1 0 201.216 2.194 10 0 BEAERO COCC[NH+](CCOC)[C@H]1CCCC[C@H]1C ZINC000120006827 387147350 /nfs/dbraw/zinc/14/73/50/387147350.db2.gz DVSBZUAKWISLKF-OLZOCXBDSA-N 1 0 229.364 2.160 10 0 BEAERO CC1(C)[C@H]([NH3+])[C@H]1c1ccncc1Br ZINC000575586000 387148046 /nfs/dbraw/zinc/14/80/46/387148046.db2.gz YVZQZURBMUGHQW-RKDXNWHRSA-N 1 0 241.132 2.295 10 0 BEAERO c1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)co1 ZINC000057998183 387154010 /nfs/dbraw/zinc/15/40/10/387154010.db2.gz KIWKJLMGWUPIKP-UHFFFAOYSA-N 1 0 245.278 2.341 10 0 BEAERO CCc1ccc([C@@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536952370 387164899 /nfs/dbraw/zinc/16/48/99/387164899.db2.gz CNGFSZQYVIXYOC-CQSZACIVSA-N 1 0 233.355 2.454 10 0 BEAERO CC[C@H]1C[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000536955263 387168307 /nfs/dbraw/zinc/16/83/07/387168307.db2.gz VZRQVWGAXPXICP-GXFFZTMASA-N 1 0 205.301 2.408 10 0 BEAERO CCC[C@@H](C(=O)Nc1nc(C)cs1)[NH+](C)C ZINC000161658825 387252594 /nfs/dbraw/zinc/25/25/94/387252594.db2.gz TUFWBJOACVDRRW-VIFPVBQESA-N 1 0 241.360 2.120 10 0 BEAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000364351330 387209073 /nfs/dbraw/zinc/20/90/73/387209073.db2.gz FJQZPJXKRQPBPC-CHWSQXEVSA-N 1 0 211.349 2.125 10 0 BEAERO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000187885401 387219122 /nfs/dbraw/zinc/21/91/22/387219122.db2.gz ICSDNOPPHMSMBD-GHMZBOCLSA-N 1 0 241.356 2.140 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000252688310 387237062 /nfs/dbraw/zinc/23/70/62/387237062.db2.gz NYPGCBXIOMBYGQ-DRZSPHRISA-N 1 0 233.311 2.277 10 0 BEAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]CCC(C)(C)C ZINC000188095870 387247344 /nfs/dbraw/zinc/24/73/44/387247344.db2.gz HDZBCBLALGMZCF-NSHDSACASA-N 1 0 236.363 2.447 10 0 BEAERO C[C@@H](CCO)[NH2+]C1CC(c2ccccc2F)C1 ZINC000120619449 387259474 /nfs/dbraw/zinc/25/94/74/387259474.db2.gz QESAEXPOGZQTCJ-UNXYVOJBSA-N 1 0 237.318 2.432 10 0 BEAERO C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000321491410 387259702 /nfs/dbraw/zinc/25/97/02/387259702.db2.gz KKJCFKVELWVUIF-MOLYVOAJSA-N 1 0 211.349 2.172 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000392889325 387297255 /nfs/dbraw/zinc/29/72/55/387297255.db2.gz YJCMWZPUDWZPJL-VOAKCMCISA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392893284 387299445 /nfs/dbraw/zinc/29/94/45/387299445.db2.gz OSVUZEAFKATRNB-GMTAPVOTSA-N 1 0 226.364 2.068 10 0 BEAERO C[C@@]1(C(=O)NCc2ccccc2)CCCC[C@@H]1[NH3+] ZINC000575513248 387384731 /nfs/dbraw/zinc/38/47/31/387384731.db2.gz HJPPRGKXVHWXBX-DZGCQCFKSA-N 1 0 246.354 2.210 10 0 BEAERO C[NH2+][C@@H]1CO[C@@H](c2cc(Cl)cs2)C1 ZINC000575507161 387374524 /nfs/dbraw/zinc/37/45/24/387374524.db2.gz KCFBYYIHFRYAIX-JGVFFNPUSA-N 1 0 217.721 2.451 10 0 BEAERO [NH3+][C@H]1CO[C@H](c2csc(Br)c2)C1 ZINC000575507491 387375761 /nfs/dbraw/zinc/37/57/61/387375761.db2.gz HWNDEHNRRFRLAY-RQJHMYQMSA-N 1 0 248.145 2.299 10 0 BEAERO [NH3+][C@@H]1CO[C@@H](c2cscc2Br)C1 ZINC000575506860 387375974 /nfs/dbraw/zinc/37/59/74/387375974.db2.gz CEMOEQFLPDKARR-YLWLKBPMSA-N 1 0 248.145 2.299 10 0 BEAERO CCn1cc([C@H]2CCC[NH2+]2)nc1Br ZINC000575497080 387326459 /nfs/dbraw/zinc/32/64/59/387326459.db2.gz VOQACTOURYTISB-SSDOTTSWSA-N 1 0 244.136 2.090 10 0 BEAERO CC(C)[C@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000121344243 387342143 /nfs/dbraw/zinc/34/21/43/387342143.db2.gz GABDFEIAWIFYHV-ZJUUUORDSA-N 1 0 239.281 2.420 10 0 BEAERO C[C@H]1C[C@]2(CC(=O)CO2)C[N@@H+]1Cc1ccccc1 ZINC000575500837 387348855 /nfs/dbraw/zinc/34/88/55/387348855.db2.gz XQLUEJIOSCQJQY-WFASDCNBSA-N 1 0 245.322 2.009 10 0 BEAERO C[N@H+](CCCOc1ccccc1)[C@H]1CCC[C@H]1O ZINC000352662449 387427642 /nfs/dbraw/zinc/42/76/42/387427642.db2.gz ZKIZTGMYMJMCQL-LSDHHAIUSA-N 1 0 249.354 2.301 10 0 BEAERO CCOc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668923 387429939 /nfs/dbraw/zinc/42/99/39/387429939.db2.gz VYQKUVSMIQQDCG-KBPBESRZSA-N 1 0 249.354 2.431 10 0 BEAERO N[C@@H](C[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000035677081 387438156 /nfs/dbraw/zinc/43/81/56/387438156.db2.gz GNOKAQKANCBPMK-AWEZNQCLSA-N 1 0 212.296 2.312 10 0 BEAERO CC(C)C(=[NH2+])N[C@@H]1CCCSCC1 ZINC000575518719 387439228 /nfs/dbraw/zinc/43/92/28/387439228.db2.gz RTSDRJSJMDTPHN-SECBINFHSA-N 1 0 200.351 2.495 10 0 BEAERO CCOc1cc(F)c(OCC)c(C[NH3+])c1 ZINC000575721850 387444927 /nfs/dbraw/zinc/44/49/27/387444927.db2.gz WMSAULBDCVZTLQ-UHFFFAOYSA-N 1 0 213.252 2.082 10 0 BEAERO C[C@@H]1C[NH2+][C@@H]2CCC(F)(F)C[C@@H]2S1 ZINC000575520881 387450362 /nfs/dbraw/zinc/45/03/62/387450362.db2.gz UKIDPCNMIONHHH-PRJMDXOYSA-N 1 0 207.289 2.268 10 0 BEAERO Cn1c(Cl)ncc1[C@@H]([NH3+])C(C)(C)C ZINC000575509340 387392882 /nfs/dbraw/zinc/39/28/82/387392882.db2.gz WYIOSJRRPYAESW-SSDOTTSWSA-N 1 0 201.701 2.119 10 0 BEAERO OC1CC(C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000162562466 387423344 /nfs/dbraw/zinc/42/33/44/387423344.db2.gz QHKJQIZEYMYNRK-WIQPZXRYSA-N 1 0 235.302 2.174 10 0 BEAERO [NH3+][C@H](CF)c1ccccc1Br ZINC000211414251 387522271 /nfs/dbraw/zinc/52/22/71/387522271.db2.gz HSWJPZQAKSROMN-MRVPVSSYSA-N 1 0 218.069 2.418 10 0 BEAERO CC[C@H]([NH2+][C@H]1CCCN[C@H]1C)C1CCC1 ZINC000396687429 387481920 /nfs/dbraw/zinc/48/19/20/387481920.db2.gz YXPZYEATHKVIPP-DRZSPHRISA-N 1 0 210.365 2.295 10 0 BEAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000396694039 387483829 /nfs/dbraw/zinc/48/38/29/387483829.db2.gz IYBFKIZBJQQLPV-TUAOUCFPSA-N 1 0 210.365 2.295 10 0 BEAERO [NH3+][C@@H]1C[C@H]1c1ccsc1Br ZINC000575541158 387585610 /nfs/dbraw/zinc/58/56/10/387585610.db2.gz BLVZGMIQNCKDBP-NTSWFWBYSA-N 1 0 218.119 2.325 10 0 BEAERO [NH3+][C@@H]1CCC[C@](F)(c2ccsn2)C1 ZINC000306348178 387592205 /nfs/dbraw/zinc/59/22/05/387592205.db2.gz GIWPFTHDLPMCJC-VXNVDRBHSA-N 1 0 200.282 2.209 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1cccc(F)c1 ZINC000042237121 387623604 /nfs/dbraw/zinc/62/36/04/387623604.db2.gz KTAYIDAWRCXRTO-BIMULSAOSA-N 1 0 223.291 2.390 10 0 BEAERO CC(C)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000119106530 387552238 /nfs/dbraw/zinc/55/22/38/387552238.db2.gz DDUXVTSIHKURQC-ZDUSSCGKSA-N 1 0 238.375 2.023 10 0 BEAERO FC1(F)CCC[C@H]([NH2+]C2CSC2)C1 ZINC000575533145 387554740 /nfs/dbraw/zinc/55/47/40/387554740.db2.gz FKGNZKIORAXGRZ-ZETCQYMHSA-N 1 0 207.289 2.269 10 0 BEAERO Cn1nccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000037074409 387559532 /nfs/dbraw/zinc/55/95/32/387559532.db2.gz VKNBUMJMNVYAPV-ZDUSSCGKSA-N 1 0 243.310 2.034 10 0 BEAERO C[C@H]([NH2+]C1CCN(C2CC2)CC1)C1(C)CC1 ZINC000037140912 387560376 /nfs/dbraw/zinc/56/03/76/387560376.db2.gz CJONTAGRZSIQGN-NSHDSACASA-N 1 0 222.376 2.391 10 0 BEAERO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)C1(C)CC1 ZINC000037140913 387560435 /nfs/dbraw/zinc/56/04/35/387560435.db2.gz CJONTAGRZSIQGN-LLVKDONJSA-N 1 0 222.376 2.391 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000399703825 387566334 /nfs/dbraw/zinc/56/63/34/387566334.db2.gz WUOFXZMNBFTLGT-BFHYXJOUSA-N 1 0 243.391 2.284 10 0 BEAERO Cc1c(C[NH2+]C[C@H]2CCC(F)(F)C2)cnn1C ZINC000281670697 387572363 /nfs/dbraw/zinc/57/23/63/387572363.db2.gz NZOODLPVCYSWRJ-JTQLQIEISA-N 1 0 243.301 2.254 10 0 BEAERO C[C@@H]1CC[C@]2(CS1)[NH2+]CCCS2 ZINC000575534665 387573492 /nfs/dbraw/zinc/57/34/92/387573492.db2.gz LPCCPBLPJSVQSA-BDAKNGLRSA-N 1 0 203.376 2.325 10 0 BEAERO CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)o1)[NH+](C)C ZINC000124795921 387631274 /nfs/dbraw/zinc/63/12/74/387631274.db2.gz GAZZISYFTCJVRH-QWRGUYRKSA-N 1 0 238.331 2.105 10 0 BEAERO CCCC[C@@H](C[NH3+])NC(=O)C[C@@H](C)C(C)C ZINC000162948018 387652544 /nfs/dbraw/zinc/65/25/44/387652544.db2.gz PVASIMBUISKBHT-NEPJUHHUSA-N 1 0 228.380 2.302 10 0 BEAERO C[C@H]1CC[C@@]([NH3+])(c2cncs2)CS1 ZINC000575571851 387746181 /nfs/dbraw/zinc/74/61/81/387746181.db2.gz PJDQOHYYRHKXJM-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO C[C@H]([NH2+]CCCF)c1cn(-c2ccccc2)nn1 ZINC000126978546 387699307 /nfs/dbraw/zinc/69/93/07/387699307.db2.gz QGAZLMLQSLQYRH-NSHDSACASA-N 1 0 248.305 2.278 10 0 BEAERO C[C@H]1CSC[C@]1([NH3+])Cc1cccs1 ZINC000575561890 387702496 /nfs/dbraw/zinc/70/24/96/387702496.db2.gz VDOLUJDQDHGMOJ-WCBMZHEXSA-N 1 0 213.371 2.371 10 0 BEAERO CCCC(CCC)[NH2+][C@H](C(=O)NC)C(C)C ZINC000132426507 134655758 /nfs/dbraw/zinc/65/57/58/134655758.db2.gz OCFNVAMHBOGJPD-LBPRGKRZSA-N 1 0 228.380 2.315 10 0 BEAERO C[C@@H]1C[C@]1([NH3+])Cc1ccncc1Br ZINC000575562777 387703619 /nfs/dbraw/zinc/70/36/19/387703619.db2.gz DDPXKJMYLYYCPU-XCBNKYQSSA-N 1 0 241.132 2.124 10 0 BEAERO C[C@@H]1C[C@@]([NH3+])(c2sccc2Cl)CO1 ZINC000575564203 387706091 /nfs/dbraw/zinc/70/60/91/387706091.db2.gz DGPGGJGOOLXYQX-MUWHJKNJSA-N 1 0 217.721 2.364 10 0 BEAERO C[C@H]1COC[C@@]1([NH3+])c1ccsc1Cl ZINC000575573301 387755652 /nfs/dbraw/zinc/75/56/52/387755652.db2.gz WSVOSOPBGOYRHM-RCOVLWMOSA-N 1 0 217.721 2.222 10 0 BEAERO C[C@H]1COC[C@]1([NH3+])c1sccc1Cl ZINC000575568958 387731562 /nfs/dbraw/zinc/73/15/62/387731562.db2.gz GHTYMLSQILNRES-IMTBSYHQSA-N 1 0 217.721 2.222 10 0 BEAERO C[C@@H]1SCCC[C@@]1([NH3+])c1cscn1 ZINC000575566332 387734084 /nfs/dbraw/zinc/73/40/84/387734084.db2.gz ULXJXOJWLOJOLA-CBAPKCEASA-N 1 0 214.359 2.213 10 0 BEAERO [NH3+][C@@]1(c2ccsn2)CCCSCC1 ZINC000575571322 387735804 /nfs/dbraw/zinc/73/58/04/387735804.db2.gz NAAIOAIYIHVBPQ-VIFPVBQESA-N 1 0 214.359 2.214 10 0 BEAERO [NH3+][C@@H](c1ncsc1Br)C1CC1 ZINC000575571039 387740321 /nfs/dbraw/zinc/74/03/21/387740321.db2.gz SLWIBANEZOONOM-RXMQYKEDSA-N 1 0 233.134 2.315 10 0 BEAERO OC1CC(C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000528018093 387825213 /nfs/dbraw/zinc/82/52/13/387825213.db2.gz KCFZUYLWAIIWEG-FFKWVLBGSA-N 1 0 223.360 2.316 10 0 BEAERO CCCC[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000058524314 387839813 /nfs/dbraw/zinc/83/98/13/387839813.db2.gz FZAQVIXCMIAHBZ-UHFFFAOYSA-N 1 0 240.391 2.367 10 0 BEAERO C[N@H+](CC1CCC1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000061482076 387842677 /nfs/dbraw/zinc/84/26/77/387842677.db2.gz ZKZKVLMENCYWPD-GJZGRUSLSA-N 1 0 231.339 2.377 10 0 BEAERO CC1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000062103949 387850781 /nfs/dbraw/zinc/85/07/81/387850781.db2.gz NVXRIJSIMROIDW-UHFFFAOYSA-N 1 0 221.348 2.336 10 0 BEAERO C1=CO[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000193759826 387862031 /nfs/dbraw/zinc/86/20/31/387862031.db2.gz YAXOHEIANJUUAM-MELADBBJSA-N 1 0 237.343 2.323 10 0 BEAERO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000422965501 387815721 /nfs/dbraw/zinc/81/57/21/387815721.db2.gz OXJFOHLXJSOMJC-WSMDXJOWSA-N 1 0 220.316 2.213 10 0 BEAERO Cc1cc(C)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(C)c1 ZINC000104213009 177865482 /nfs/dbraw/zinc/86/54/82/177865482.db2.gz KRUUTMXZDVMNLL-STQMWFEESA-N 1 0 246.354 2.406 10 0 BEAERO CCC[C@@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194599515 387886419 /nfs/dbraw/zinc/88/64/19/387886419.db2.gz NFKAAHUSIBMMTF-GFCCVEGCSA-N 1 0 238.375 2.119 10 0 BEAERO [NH3+][C@H](Cc1cccs1)c1ccccn1 ZINC000053816990 387914757 /nfs/dbraw/zinc/91/47/57/387914757.db2.gz UWALIAKJLWFZHV-SNVBAGLBSA-N 1 0 204.298 2.386 10 0 BEAERO COC(=O)c1cccnc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000459371145 387934715 /nfs/dbraw/zinc/93/47/15/387934715.db2.gz ROOWPVYGBDYKAL-QWRGUYRKSA-N 1 0 248.326 2.241 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)C1CCCC1 ZINC000396646578 387928633 /nfs/dbraw/zinc/92/86/33/387928633.db2.gz CHESCNUPURHXCY-DMDPSCGWSA-N 1 0 210.365 2.295 10 0 BEAERO C[C@@H]1CC[N@@H+](C2CCC2)C[C@H]1n1ccnc1 ZINC000245589307 387963812 /nfs/dbraw/zinc/96/38/12/387963812.db2.gz FZCCVSNSGTYVTE-DGCLKSJQSA-N 1 0 219.332 2.319 10 0 BEAERO CC[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000245641066 387969807 /nfs/dbraw/zinc/96/98/07/387969807.db2.gz DKJRBRZPFMKRAB-UGFHNGPFSA-N 1 0 231.339 2.377 10 0 BEAERO C[NH2+][C@@H]1CC[S@@](=O)c2c(Cl)cccc21 ZINC000040974067 387978434 /nfs/dbraw/zinc/97/84/34/387978434.db2.gz DBJCJGYVONEIKQ-OTYXRUKQSA-N 1 0 229.732 2.112 10 0 BEAERO Cc1ncccc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000245803157 387984095 /nfs/dbraw/zinc/98/40/95/387984095.db2.gz YCDGUKXPJJFVTH-DOMZBBRYSA-N 1 0 245.370 2.059 10 0 BEAERO c1ncn(C[C@@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)n1 ZINC000246255652 388024606 /nfs/dbraw/zinc/02/46/06/388024606.db2.gz MSHIHNRAEQTSOW-ZIAGYGMSSA-N 1 0 246.358 2.099 10 0 BEAERO [NH3+]CC1([C@H](O)c2sccc2Cl)CC1 ZINC000306620706 388011665 /nfs/dbraw/zinc/01/16/65/388011665.db2.gz XONZSJUCRYRXNT-MRVPVSSYSA-N 1 0 217.721 2.174 10 0 BEAERO CSC1(C[NH2+]C[C@@H]2CC23CCOCC3)CC1 ZINC000336660682 388095599 /nfs/dbraw/zinc/09/55/99/388095599.db2.gz CLQZRLLPQWZPID-NSHDSACASA-N 1 0 241.400 2.288 10 0 BEAERO [NH3+]Cc1cnoc1-c1ccc(Cl)cc1 ZINC000071511369 388096526 /nfs/dbraw/zinc/09/65/26/388096526.db2.gz ZPLMGIUZFSEZRO-UHFFFAOYSA-N 1 0 208.648 2.454 10 0 BEAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ccc(Cl)s1 ZINC000071522139 388097442 /nfs/dbraw/zinc/09/74/42/388097442.db2.gz MBEDDSTWDAYQMU-RKDXNWHRSA-N 1 0 219.737 2.418 10 0 BEAERO Clc1ccc([C@H]2C[NH2+]CCOC2)cc1 ZINC000071518399 388097459 /nfs/dbraw/zinc/09/74/59/388097459.db2.gz LEYFYWQYKQJNAP-JTQLQIEISA-N 1 0 211.692 2.043 10 0 BEAERO COC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000071546912 388098151 /nfs/dbraw/zinc/09/81/51/388098151.db2.gz VECGXKPVWFXFKF-ZCFIWIBFSA-N 1 0 236.134 2.157 10 0 BEAERO CCC[N@@H+](Cc1nnc(C2CC2)n1C)CC1CC1 ZINC000195429618 388163498 /nfs/dbraw/zinc/16/34/98/388163498.db2.gz HNNALEQTFGBMRM-UHFFFAOYSA-N 1 0 248.374 2.315 10 0 BEAERO CCC[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000646220551 388167787 /nfs/dbraw/zinc/16/77/87/388167787.db2.gz HKNDWUKWVCFLSF-STQMWFEESA-N 1 0 240.391 2.399 10 0 BEAERO CC(C)(C)OC(=O)Nc1ccccc1C(N)=[NH2+] ZINC000070660017 388168242 /nfs/dbraw/zinc/16/82/42/388168242.db2.gz WLQANTTUOUKCPL-UHFFFAOYSA-N 1 0 235.287 2.318 10 0 BEAERO Cc1cc(C)n(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000646088644 388139945 /nfs/dbraw/zinc/13/99/45/388139945.db2.gz NPGYHWOYDILAQR-BFHYXJOUSA-N 1 0 233.359 2.278 10 0 BEAERO COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000646091352 388140634 /nfs/dbraw/zinc/14/06/34/388140634.db2.gz MIKHMDHEUUFJAH-CYZMBNFOSA-N 1 0 232.327 2.368 10 0 BEAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000165051745 388250455 /nfs/dbraw/zinc/25/04/55/388250455.db2.gz LQAULZROQFBQAF-KOLCDFICSA-N 1 0 239.388 2.487 10 0 BEAERO CCC[C@@H]1[NH2+]CC[C@H](C)[S@@](=O)[C@H]1CC ZINC000251201685 388254750 /nfs/dbraw/zinc/25/47/50/388254750.db2.gz VLLGXMHTKGLYGG-AYGWYOGXSA-N 1 0 217.378 2.064 10 0 BEAERO C[C@@H]([NH2+][C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000088163033 256546620 /nfs/dbraw/zinc/54/66/20/256546620.db2.gz OHSGFHWTEYISBU-KGYLQXTDSA-N 1 0 211.349 2.458 10 0 BEAERO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336662052 388259952 /nfs/dbraw/zinc/25/99/52/388259952.db2.gz CVZLQBOEHUTFFX-NNYUYHANSA-N 1 0 249.395 2.217 10 0 BEAERO C[C@@H]1C[C@@](F)(c2ccns2)CC[NH2+]1 ZINC000575515714 388348078 /nfs/dbraw/zinc/34/80/78/388348078.db2.gz SKSZESGHHBEOGW-VXNVDRBHSA-N 1 0 200.282 2.080 10 0 BEAERO COc1c(C[NH2+]CCC=C(C)C)c(C)nn1C ZINC000276588476 388350172 /nfs/dbraw/zinc/35/01/72/388350172.db2.gz CWZLXVDVIXSFAT-UHFFFAOYSA-N 1 0 237.347 2.183 10 0 BEAERO O=C(Cc1ccsc1)[C@@H]1CCCCC[NH2+]1 ZINC000226522133 388352135 /nfs/dbraw/zinc/35/21/35/388352135.db2.gz PZWAZMNUZAZCQL-NSHDSACASA-N 1 0 223.341 2.392 10 0 BEAERO Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC(O)C1)CC2 ZINC000163443991 388362211 /nfs/dbraw/zinc/36/22/11/388362211.db2.gz LUYGZPVZCRZKCW-HGMXIMQMSA-N 1 0 231.339 2.343 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCSC1 ZINC000324607162 388386792 /nfs/dbraw/zinc/38/67/92/388386792.db2.gz KSRLTAINPXMONP-GHMZBOCLSA-N 1 0 231.405 2.126 10 0 BEAERO COc1ccc([C@H](O)[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000071558543 388444594 /nfs/dbraw/zinc/44/45/94/388444594.db2.gz IZUXSGBNMQJACZ-NEPJUHHUSA-N 1 0 243.734 2.365 10 0 BEAERO COc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000071558539 388444763 /nfs/dbraw/zinc/44/47/63/388444763.db2.gz IZUXSGBNMQJACZ-VXGBXAGGSA-N 1 0 243.734 2.365 10 0 BEAERO CC[C@H](C1CCC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000322726841 388444985 /nfs/dbraw/zinc/44/49/85/388444985.db2.gz UYLXORQKYZQITI-MRVWCRGKSA-N 1 0 224.392 2.482 10 0 BEAERO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000334745762 388446998 /nfs/dbraw/zinc/44/69/98/388446998.db2.gz KWGDFNNDVKFPDG-GXTWGEPZSA-N 1 0 219.328 2.198 10 0 BEAERO C1CCC(c2noc([C@]34CCC[C@H]3C[NH2+]C4)n2)C1 ZINC000634554175 388447665 /nfs/dbraw/zinc/44/76/65/388447665.db2.gz RLUOQQHVUPZWQT-FZMZJTMJSA-N 1 0 247.342 2.368 10 0 BEAERO Cc1ccc(N[C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000335043105 388448614 /nfs/dbraw/zinc/44/86/14/388448614.db2.gz NEOYCZOFRSECLX-RYUDHWBXSA-N 1 0 204.317 2.405 10 0 BEAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000336722118 388469267 /nfs/dbraw/zinc/46/92/67/388469267.db2.gz DROXBHPYNXFWLN-RYUDHWBXSA-N 1 0 226.364 2.023 10 0 BEAERO CC(C)c1nsc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000165761828 388411108 /nfs/dbraw/zinc/41/11/08/388411108.db2.gz LDACNASLKZJHKR-HTQZYQBOSA-N 1 0 228.365 2.199 10 0 BEAERO CCN(CC)[C@@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000134804667 388479492 /nfs/dbraw/zinc/47/94/92/388479492.db2.gz YEVMKMRHNNRAJC-NWDGAFQWSA-N 1 0 230.421 2.202 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2cc(F)ccc2C1 ZINC000245538395 388422330 /nfs/dbraw/zinc/42/23/30/388422330.db2.gz JXISTLHYOWWFOK-LSDHHAIUSA-N 1 0 249.329 2.487 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)C1CC1 ZINC000175275744 388428788 /nfs/dbraw/zinc/42/87/88/388428788.db2.gz RZEWYIHPJOSROC-DGCLKSJQSA-N 1 0 240.391 2.125 10 0 BEAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)[C@H]1C[C@H]1C ZINC000322331645 388432091 /nfs/dbraw/zinc/43/20/91/388432091.db2.gz NXHSKIGSACVRIR-MOLYVOAJSA-N 1 0 211.349 2.172 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)[C@H]1CC1(C)C ZINC000397795815 388499456 /nfs/dbraw/zinc/49/94/56/388499456.db2.gz DUAJGFCZCZAZOV-GRYCIOLGSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)[C@@H]1CC1(C)C ZINC000397795816 388499647 /nfs/dbraw/zinc/49/96/47/388499647.db2.gz DUAJGFCZCZAZOV-SDDRHHMPSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000344069121 388504721 /nfs/dbraw/zinc/50/47/21/388504721.db2.gz KVLVIYDIJJVSRW-FRRDWIJNSA-N 1 0 238.375 2.071 10 0 BEAERO Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cc[nH+]1 ZINC000378805543 388506552 /nfs/dbraw/zinc/50/65/52/388506552.db2.gz WVHYEXJOAIMOKY-CYZMBNFOSA-N 1 0 202.301 2.412 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)[C@@H]1CCCOC1 ZINC000348686112 388527953 /nfs/dbraw/zinc/52/79/53/388527953.db2.gz RMMNEDIDYWSPSV-REWJHTLYSA-N 1 0 241.375 2.085 10 0 BEAERO CSCc1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054496937 388594062 /nfs/dbraw/zinc/59/40/62/388594062.db2.gz IMOATFFZQYFFGS-RXMQYKEDSA-N 1 0 202.348 2.334 10 0 BEAERO Clc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000246109217 388617551 /nfs/dbraw/zinc/61/75/51/388617551.db2.gz PHGKFTYGPREZRS-NSHDSACASA-N 1 0 237.734 2.019 10 0 BEAERO [NH3+]CC[C@H]1C(=O)Nc2ccc(C(F)(F)F)cc21 ZINC000106816502 388598211 /nfs/dbraw/zinc/59/82/11/388598211.db2.gz STJAXSNXYDRMEB-SSDOTTSWSA-N 1 0 244.216 2.090 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccoc2)C1 ZINC000245849955 388607340 /nfs/dbraw/zinc/60/73/40/388607340.db2.gz BDRFIKHOALFYLS-YPMHNXCESA-N 1 0 222.332 2.415 10 0 BEAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCO[C@H]1C ZINC000245903534 388609904 /nfs/dbraw/zinc/60/99/04/388609904.db2.gz BPKCLDJBSAMWQB-VNHYZAJKSA-N 1 0 249.354 2.359 10 0 BEAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)o1 ZINC000245940226 388611235 /nfs/dbraw/zinc/61/12/35/388611235.db2.gz MFRQYIAOTVKKAT-DCAQKATOSA-N 1 0 209.289 2.416 10 0 BEAERO [NH3+]Cc1ccc(C(=O)N2CC[C@H](C3CC3)C2)cc1 ZINC000364029099 388564227 /nfs/dbraw/zinc/56/42/27/388564227.db2.gz LUEUGGWVYWIYEJ-AWEZNQCLSA-N 1 0 244.338 2.017 10 0 BEAERO CCC1(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000367402333 388565608 /nfs/dbraw/zinc/56/56/08/388565608.db2.gz QQXNKRWNYBJEEZ-VXGBXAGGSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367506274 388565684 /nfs/dbraw/zinc/56/56/84/388565684.db2.gz VIELYMOFADFFHA-MIGQKNRLSA-N 1 0 245.366 2.490 10 0 BEAERO c1cc(C2CC[NH+](CC[C@@H]3CCCO3)CC2)n[nH]1 ZINC000188995008 388615924 /nfs/dbraw/zinc/61/59/24/388615924.db2.gz MYOCLPBMFSWFBE-ZDUSSCGKSA-N 1 0 249.358 2.158 10 0 BEAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccccc1F ZINC000054929290 388582966 /nfs/dbraw/zinc/58/29/66/388582966.db2.gz KHBQVDWFUZSSNJ-NEPJUHHUSA-N 1 0 211.280 2.233 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000246449938 388636637 /nfs/dbraw/zinc/63/66/37/388636637.db2.gz PEJYVBQJOCDYIZ-MBNYWOFBSA-N 1 0 224.392 2.493 10 0 BEAERO CCC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+](C)C ZINC000246655379 388647184 /nfs/dbraw/zinc/64/71/84/388647184.db2.gz UBAIIVGKYKHYTJ-JHJVBQTASA-N 1 0 240.391 2.412 10 0 BEAERO CC(C)OC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227065397 388740363 /nfs/dbraw/zinc/74/03/63/388740363.db2.gz AYDOQPRCDJTHJR-RYUDHWBXSA-N 1 0 240.347 2.090 10 0 BEAERO C[C@H]1SCCC[C@@]1([NH3+])c1ccns1 ZINC000575453038 388748127 /nfs/dbraw/zinc/74/81/27/388748127.db2.gz DLSIZOFJAMYNHF-APPZFPTMSA-N 1 0 214.359 2.213 10 0 BEAERO Cc1c(C[NH2+]CC2(C)CCC2)cnn1C ZINC000126283624 388694035 /nfs/dbraw/zinc/69/40/35/388694035.db2.gz GRMQBBWFIKBDJL-UHFFFAOYSA-N 1 0 207.321 2.008 10 0 BEAERO CCCC[C@H](CCC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000226070830 388699772 /nfs/dbraw/zinc/69/97/72/388699772.db2.gz FEKQBIKNYOAQAS-FRRDWIJNSA-N 1 0 240.391 2.317 10 0 BEAERO CCC[C@@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000249141275 388710759 /nfs/dbraw/zinc/71/07/59/388710759.db2.gz QRXZBDRMXJWFHI-CHWSQXEVSA-N 1 0 236.363 2.179 10 0 BEAERO CC1CCC(C[NH2+]C[C@@H]2CCCN2C)CC1 ZINC000127337783 388721178 /nfs/dbraw/zinc/72/11/78/388721178.db2.gz DWFGACRVLJHYSY-RUXDESIVSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@H]1OCC[C@]1([NH3+])c1sccc1Cl ZINC000575449293 388728350 /nfs/dbraw/zinc/72/83/50/388728350.db2.gz GDUUIXAAUJWKOB-HZGVNTEJSA-N 1 0 217.721 2.364 10 0 BEAERO F[C@H](c1occc1Br)C1C[NH2+]C1 ZINC000575450351 388732648 /nfs/dbraw/zinc/73/26/48/388732648.db2.gz HQDCZHOYQLYGPF-ZETCQYMHSA-N 1 0 234.068 2.272 10 0 BEAERO CC(C)[N@H+](CCO)Cc1ccnc2ccccc12 ZINC000092350266 388801528 /nfs/dbraw/zinc/80/15/28/388801528.db2.gz DWNCKAMBYHYAQU-UHFFFAOYSA-N 1 0 244.338 2.438 10 0 BEAERO CC(C)OC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000253168808 388806430 /nfs/dbraw/zinc/80/64/30/388806430.db2.gz AYDOQPRCDJTHJR-NEPJUHHUSA-N 1 0 240.347 2.090 10 0 BEAERO CC(C)Oc1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000091423737 388764013 /nfs/dbraw/zinc/76/40/13/388764013.db2.gz QOPLDALABVJPBQ-UHFFFAOYSA-N 1 0 249.354 2.334 10 0 BEAERO Cc1cc(-n2cnc(Br)c2)cc[nH+]1 ZINC000072193555 177697237 /nfs/dbraw/zinc/69/72/37/177697237.db2.gz FXAJJXSGAAWNKT-UHFFFAOYSA-N 1 0 238.088 2.338 10 0 BEAERO Cc1ncsc1[C@@]1([NH3+])CCCSC1 ZINC000575463514 388831252 /nfs/dbraw/zinc/83/12/52/388831252.db2.gz RRNSRVYBCHXXFX-SECBINFHSA-N 1 0 214.359 2.133 10 0 BEAERO Cc1cnn(CC[NH2+]Cc2ccsc2C)c1 ZINC000293617133 388860071 /nfs/dbraw/zinc/86/00/71/388860071.db2.gz QBWDVNPXTOCHPO-UHFFFAOYSA-N 1 0 235.356 2.351 10 0 BEAERO Cc1cc(-c2ccccc2)nc(CCC[NH3+])n1 ZINC000071396794 177685841 /nfs/dbraw/zinc/68/58/41/177685841.db2.gz AKYALANLPNRMHT-UHFFFAOYSA-N 1 0 227.311 2.343 10 0 BEAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12CC(=O)CO2 ZINC000575499347 388989854 /nfs/dbraw/zinc/98/98/54/388989854.db2.gz FNSOKCDQOJPIFH-SWLSCSKDSA-N 1 0 245.322 2.009 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])C[C@@H]1c1cncc(Br)c1 ZINC000575500959 388990479 /nfs/dbraw/zinc/99/04/79/388990479.db2.gz WHDYDRNEWHVDSY-JUWDTYFHSA-N 1 0 241.132 2.295 10 0 BEAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000274326792 389046667 /nfs/dbraw/zinc/04/66/67/389046667.db2.gz AAIZHZBCYSWJTG-DMDPSCGWSA-N 1 0 220.316 2.218 10 0 BEAERO Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2CO)s1 ZINC000274900468 389049734 /nfs/dbraw/zinc/04/97/34/389049734.db2.gz ICUPIVOHBGHWLC-GHMZBOCLSA-N 1 0 240.372 2.092 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1ccc(C)cc1C ZINC000016945121 132323726 /nfs/dbraw/zinc/32/37/26/132323726.db2.gz GZDOGVUFEGZGLV-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO C[C@H]1CCC[C@H](C)N1c1cc[nH+]cc1N ZINC000019763625 132327067 /nfs/dbraw/zinc/32/70/67/132327067.db2.gz UFWQUIMPQFURDL-UWVGGRQHSA-N 1 0 205.305 2.431 10 0 BEAERO Cc1ccc(N)c(N2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000036250640 132341411 /nfs/dbraw/zinc/34/14/11/132341411.db2.gz ZLCNRMXDXUDTCA-UWVGGRQHSA-N 1 0 219.332 2.455 10 0 BEAERO C[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000037241429 132343976 /nfs/dbraw/zinc/34/39/76/132343976.db2.gz QAADHSWDXILXMT-UHFFFAOYSA-N 1 0 222.307 2.322 10 0 BEAERO Cc1ccc2c(c1)CCCN2[C@H](C)CC[NH3+] ZINC000041042516 132349293 /nfs/dbraw/zinc/34/92/93/132349293.db2.gz MLFPTGJGFHLGDQ-GFCCVEGCSA-N 1 0 218.344 2.485 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1c(F)cccc1F ZINC000049710266 132357662 /nfs/dbraw/zinc/35/76/62/132357662.db2.gz ZQPOUAMFQVXYCF-BDAKNGLRSA-N 1 0 226.270 2.281 10 0 BEAERO C[C@@H]1CCCN(c2cccc(C[NH3+])n2)[C@@H]1C ZINC000051396014 132359980 /nfs/dbraw/zinc/35/99/80/132359980.db2.gz WXBIPCFVUGXCIV-GHMZBOCLSA-N 1 0 219.332 2.165 10 0 BEAERO [NH3+]Cc1cnc(N2CCCCC2)c(Cl)c1 ZINC000051396458 132360032 /nfs/dbraw/zinc/36/00/32/132360032.db2.gz QEVQQVXIULMULV-UHFFFAOYSA-N 1 0 225.723 2.184 10 0 BEAERO CCc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000071520956 132392976 /nfs/dbraw/zinc/39/29/76/132392976.db2.gz NYHVVEPFTQKDJF-RYUDHWBXSA-N 1 0 218.344 2.436 10 0 BEAERO C(OC1CC[NH+](C2CCC2)CC1)[C@H]1CCCO1 ZINC000179565057 533373158 /nfs/dbraw/zinc/37/31/58/533373158.db2.gz CBUVWPPBWMPSFV-CQSZACIVSA-N 1 0 239.359 2.199 10 0 BEAERO CC[C@H]1CCC[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000084447584 322836099 /nfs/dbraw/zinc/83/60/99/322836099.db2.gz PIDVBKJZRWLZBF-QCXCNERSSA-N 1 0 211.349 2.316 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000042212940 322836683 /nfs/dbraw/zinc/83/66/83/322836683.db2.gz VHBCZHYHLPQVDV-RYUDHWBXSA-N 1 0 240.391 2.460 10 0 BEAERO Cc1cc(N2CCS[C@@H](C)C2)cc[nH+]1 ZINC000274388755 132202907 /nfs/dbraw/zinc/20/29/07/132202907.db2.gz VBDGHWVOBSDWOF-JTQLQIEISA-N 1 0 208.330 2.332 10 0 BEAERO [NH3+][C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000041030228 132223817 /nfs/dbraw/zinc/22/38/17/132223817.db2.gz ZLQFUKUHMQGREX-GFCCVEGCSA-N 1 0 227.311 2.162 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1ccc2ccccc2n1 ZINC000054375200 132233620 /nfs/dbraw/zinc/23/36/20/132233620.db2.gz ZHHPVIMHTHKKIZ-LLVKDONJSA-N 1 0 227.311 2.033 10 0 BEAERO CC[N@H+](C)CCCN1COCc2ccccc21 ZINC000005311346 132317487 /nfs/dbraw/zinc/31/74/87/132317487.db2.gz WOVVHRSKOQWXDQ-UHFFFAOYSA-N 1 0 234.343 2.323 10 0 BEAERO Nc1cc(N2CCc3ccccc3C2)cc[nH+]1 ZINC000013489845 132322031 /nfs/dbraw/zinc/32/20/31/132322031.db2.gz SNEWDBZYBSANKX-UHFFFAOYSA-N 1 0 225.295 2.227 10 0 BEAERO Cc1ccc(N2CC[NH2+]C[C@H]2C)cc1C ZINC000016944991 132323626 /nfs/dbraw/zinc/32/36/26/132323626.db2.gz IJCVJJXFHPOJHJ-GFCCVEGCSA-N 1 0 204.317 2.102 10 0 BEAERO CC[C@@H]1C[NH2+]CCN1c1ccc(C)cc1 ZINC000016945037 132323636 /nfs/dbraw/zinc/32/36/36/132323636.db2.gz GPJNXWUMJFMXQC-GFCCVEGCSA-N 1 0 204.317 2.183 10 0 BEAERO CC[C@H]1C[NH2+]CCN1c1cc(C)ccc1C ZINC000016945130 132323717 /nfs/dbraw/zinc/32/37/17/132323717.db2.gz MVFBVHVYWIFUAP-ZDUSSCGKSA-N 1 0 218.344 2.492 10 0 BEAERO [NH3+]CCOc1cccc(N2CCCCC2)c1 ZINC000019726714 132326309 /nfs/dbraw/zinc/32/63/09/132326309.db2.gz DEWLDJWXLVXNDU-UHFFFAOYSA-N 1 0 220.316 2.014 10 0 BEAERO CC[C@H](C)Oc1cccc(N2CC[NH2+]CC2)c1 ZINC000019688516 132326315 /nfs/dbraw/zinc/32/63/15/132326315.db2.gz XYXSUZJFXSVBJW-LBPRGKRZSA-N 1 0 234.343 2.274 10 0 BEAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCSCC1 ZINC000020257405 132330564 /nfs/dbraw/zinc/33/05/64/132330564.db2.gz QGXYQRAWCOKZBG-SECBINFHSA-N 1 0 240.347 2.399 10 0 BEAERO Cc1cc(C)c(C[NH3+])c(N2CCCCC2)n1 ZINC000020443007 132331723 /nfs/dbraw/zinc/33/17/23/132331723.db2.gz GFHDFBQLOGKPMS-UHFFFAOYSA-N 1 0 219.332 2.147 10 0 BEAERO c1[nH+]c(N2CCCCC2)cc2c1CCN2 ZINC000033868770 132336012 /nfs/dbraw/zinc/33/60/12/132336012.db2.gz AWGQRZJVOKJYFO-UHFFFAOYSA-N 1 0 203.289 2.040 10 0 BEAERO CC[C@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000036168547 132340313 /nfs/dbraw/zinc/34/03/13/132340313.db2.gz HGMMXSPACOJKKN-NSHDSACASA-N 1 0 219.332 2.167 10 0 BEAERO [NH3+]C1CCN(c2ccccc2OC(F)F)CC1 ZINC000036906512 132343028 /nfs/dbraw/zinc/34/30/28/132343028.db2.gz PKQQVENMEAXXDV-UHFFFAOYSA-N 1 0 242.269 2.216 10 0 BEAERO C[C@H]1C[C@H](C)CN(c2ccccc2C(N)=[NH2+])C1 ZINC000037116015 132343725 /nfs/dbraw/zinc/34/37/25/132343725.db2.gz OVVNSCWDMOFAQJ-QWRGUYRKSA-N 1 0 231.343 2.453 10 0 BEAERO C[NH2+]C1CCN(c2c(F)cccc2F)CC1 ZINC000037242330 132343879 /nfs/dbraw/zinc/34/38/79/132343879.db2.gz ZIYCPHDCXQLRLH-UHFFFAOYSA-N 1 0 226.270 2.153 10 0 BEAERO c1ccc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037918222 132345538 /nfs/dbraw/zinc/34/55/38/132345538.db2.gz SIZZJKLLDMFNHN-STQMWFEESA-N 1 0 231.343 2.050 10 0 BEAERO Cc1ccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nc1 ZINC000037918225 132345604 /nfs/dbraw/zinc/34/56/04/132345604.db2.gz CVFBIXSETVRCBM-KGLIPLIRSA-N 1 0 245.370 2.358 10 0 BEAERO Cc1c(Cl)cccc1N1CC[NH2+]C[C@H]1C ZINC000041245342 132349713 /nfs/dbraw/zinc/34/97/13/132349713.db2.gz JCFNGCGLBWBQHZ-SECBINFHSA-N 1 0 224.735 2.447 10 0 BEAERO C[C@@H]1C[NH2+]CCN1c1ccc(N2CCCC2)cc1 ZINC000041296537 132350013 /nfs/dbraw/zinc/35/00/13/132350013.db2.gz JVZSYNLDKPJXLL-CYBMUJFWSA-N 1 0 245.370 2.085 10 0 BEAERO CCC1CCN(c2ncccc2C[NH3+])CC1 ZINC000042446147 132352350 /nfs/dbraw/zinc/35/23/50/132352350.db2.gz IGMBUIIMPXPKEF-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO C[C@@H](O)c1ccc(N2CC[NH+](C3CC3)CC2)cc1 ZINC000042490697 132352615 /nfs/dbraw/zinc/35/26/15/132352615.db2.gz SNBRFFPZDYMNPM-GFCCVEGCSA-N 1 0 246.354 2.024 10 0 BEAERO COc1ccc(Cl)c(N2CCC([NH3+])CC2)c1 ZINC000043317977 132352856 /nfs/dbraw/zinc/35/28/56/132352856.db2.gz MAHDQZNEXQFNDI-UHFFFAOYSA-N 1 0 240.734 2.276 10 0 BEAERO Cc1ccc2c(c1)CCCN2[C@@H](C)C[NH3+] ZINC000043513367 132353459 /nfs/dbraw/zinc/35/34/59/132353459.db2.gz QPVKIIWXKAQTBS-NSHDSACASA-N 1 0 204.317 2.095 10 0 BEAERO [NH3+]Cc1ccccc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000044420328 132354097 /nfs/dbraw/zinc/35/40/97/132354097.db2.gz YPTABHYJLQVAPD-LSDHHAIUSA-N 1 0 246.354 2.293 10 0 BEAERO CC[C@H]([NH3+])Cc1ccc2c(c1)CCCN2C ZINC000044407049 132354101 /nfs/dbraw/zinc/35/41/01/132354101.db2.gz YBPGJURYSJDBQW-ZDUSSCGKSA-N 1 0 218.344 2.349 10 0 BEAERO CC(C)c1cc(N)nc(N2CCCCC2)[nH+]1 ZINC000044263484 132354116 /nfs/dbraw/zinc/35/41/16/132354116.db2.gz BYQFFRJRSIFXFC-UHFFFAOYSA-N 1 0 220.320 2.173 10 0 BEAERO Cc1ccc2c(c1)CCCN2[C@@H](C)CC(N)=[NH2+] ZINC000048249613 132355200 /nfs/dbraw/zinc/35/52/00/132355200.db2.gz AUSSDKKUXWYCRL-NSHDSACASA-N 1 0 231.343 2.462 10 0 BEAERO C[NH2+]C1CCN(c2ccc(F)cc2OC)CC1 ZINC000049568598 132356251 /nfs/dbraw/zinc/35/62/51/132356251.db2.gz DLSLEWKGDANAMP-UHFFFAOYSA-N 1 0 238.306 2.023 10 0 BEAERO Cc1ccc(C)c(N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000049694063 132356695 /nfs/dbraw/zinc/35/66/95/132356695.db2.gz CWMSWHOWZPSNFG-CHWSQXEVSA-N 1 0 218.344 2.477 10 0 BEAERO COc1ccccc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049694238 132356760 /nfs/dbraw/zinc/35/67/60/132356760.db2.gz RTAIYGMYCYCBOR-WDEREUQCSA-N 1 0 220.316 2.011 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc2c(c1)CCC2 ZINC000049707876 132356985 /nfs/dbraw/zinc/35/69/85/132356985.db2.gz UYSCYMPYPAJQPE-RISCZKNCSA-N 1 0 230.355 2.491 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1cc(F)ccc1F ZINC000049707930 132356992 /nfs/dbraw/zinc/35/69/92/132356992.db2.gz VRQXGAWWQWQAMY-WCBMZHEXSA-N 1 0 226.270 2.281 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(F)c(F)c2)C[C@@H]1C ZINC000049708788 132357173 /nfs/dbraw/zinc/35/71/73/132357173.db2.gz QJECLTVNXUJFBD-ZANVPECISA-N 1 0 240.297 2.399 10 0 BEAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc(F)cc1 ZINC000049708567 132357218 /nfs/dbraw/zinc/35/72/18/132357218.db2.gz HJEJGOHUQQHZGB-GXSJLCMTSA-N 1 0 208.280 2.142 10 0 BEAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2)[C@@H](C)C1 ZINC000049708577 132357240 /nfs/dbraw/zinc/35/72/40/132357240.db2.gz AKUTWGOYQZUILV-JQWIXIFHSA-N 1 0 222.307 2.402 10 0 BEAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(F)cc1F ZINC000049708767 132357242 /nfs/dbraw/zinc/35/72/42/132357242.db2.gz VXIJBBTXPFOHGG-SCZZXKLOSA-N 1 0 226.270 2.281 10 0 BEAERO Cc1cccc(N2CC[C@H]([NH3+])[C@H](C)C2)c1C ZINC000049709295 132357384 /nfs/dbraw/zinc/35/73/84/132357384.db2.gz VKNCUZDGAHHGMN-YPMHNXCESA-N 1 0 218.344 2.477 10 0 BEAERO COc1cccc(N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000049709841 132357492 /nfs/dbraw/zinc/35/74/92/132357492.db2.gz CZSHLKNYPFPVOZ-MNOVXSKESA-N 1 0 220.316 2.011 10 0 BEAERO C[C@H](CC[NH3+])CN1CCCc2ccccc21 ZINC000049816969 132358125 /nfs/dbraw/zinc/35/81/25/132358125.db2.gz RTSAEUNRGCHPJY-GFCCVEGCSA-N 1 0 218.344 2.424 10 0 BEAERO CCOc1cccc(N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049714326 132358153 /nfs/dbraw/zinc/35/81/53/132358153.db2.gz XDDBAJDUJJCVEB-NWDGAFQWSA-N 1 0 234.343 2.401 10 0 BEAERO Cc1cc(C=O)ccc1N1CCC([NH+](C)C)CC1 ZINC000050544874 132358863 /nfs/dbraw/zinc/35/88/63/132358863.db2.gz BDAURFHAKZOPAV-UHFFFAOYSA-N 1 0 246.354 2.338 10 0 BEAERO [NH3+]Cc1cc(N2CCc3ccccc3C2)ccn1 ZINC000051396370 132360186 /nfs/dbraw/zinc/36/01/86/132360186.db2.gz AFUVSNPYSVIUBI-UHFFFAOYSA-N 1 0 239.322 2.103 10 0 BEAERO C[NH2+]C[C@H](C)CN1CCCc2ccccc21 ZINC000052421453 132362125 /nfs/dbraw/zinc/36/21/25/132362125.db2.gz YXEIYKSWLGTELY-LBPRGKRZSA-N 1 0 218.344 2.295 10 0 BEAERO CC[NH2+]C[C@@H](C)N1CCCc2ccccc21 ZINC000052421411 132362140 /nfs/dbraw/zinc/36/21/40/132362140.db2.gz XABDCCCXKUGNGS-GFCCVEGCSA-N 1 0 218.344 2.437 10 0 BEAERO Cc1cccnc1N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000053702143 132363156 /nfs/dbraw/zinc/36/31/56/132363156.db2.gz BSWOALUKQDLYJD-CYBMUJFWSA-N 1 0 245.370 2.358 10 0 BEAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncccc1Cl ZINC000053704314 132363179 /nfs/dbraw/zinc/36/31/79/132363179.db2.gz XFHQMKMULIOMMB-ZJUUUORDSA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1CN(c2ccc3ncccc3c2)CC[C@@H]1[NH3+] ZINC000054108245 132363904 /nfs/dbraw/zinc/36/39/04/132363904.db2.gz VKFIVTXBXWMPDB-RISCZKNCSA-N 1 0 241.338 2.408 10 0 BEAERO CCN(CC)c1ccc(N2CCC([NH3+])CC2)cc1 ZINC000057536655 132365870 /nfs/dbraw/zinc/36/58/70/132365870.db2.gz LCZIWNYVBKPHRI-UHFFFAOYSA-N 1 0 247.386 2.460 10 0 BEAERO [NH3+][C@@H]1CCCN(c2ccc(N3CCCC3)cc2)C1 ZINC000057955965 132367501 /nfs/dbraw/zinc/36/75/01/132367501.db2.gz GXCNIGNKAMHFRE-CYBMUJFWSA-N 1 0 245.370 2.214 10 0 BEAERO C[C@H]1C[NH2+]C(C)(C)CN1c1cccc(F)c1 ZINC000058444134 132368172 /nfs/dbraw/zinc/36/81/72/132368172.db2.gz XXDQWHQUWJNUEP-JTQLQIEISA-N 1 0 222.307 2.402 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1c1ccccc1 ZINC000058439720 132368223 /nfs/dbraw/zinc/36/82/23/132368223.db2.gz FFSDUZIYSCFJJQ-LLVKDONJSA-N 1 0 204.317 2.263 10 0 BEAERO CC1(C)CN(c2cccc(F)c2)CC[NH2+]1 ZINC000058439776 132368241 /nfs/dbraw/zinc/36/82/41/132368241.db2.gz TWTKGCQIKXOGPH-UHFFFAOYSA-N 1 0 208.280 2.014 10 0 BEAERO CC1(C)CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000061817954 132387247 /nfs/dbraw/zinc/38/72/47/132387247.db2.gz SDQZERHPFNEPSK-UHFFFAOYSA-N 1 0 219.332 2.167 10 0 BEAERO CN1c2ccc([C@H]([NH3+])C3CCC3)cc2CCC1=O ZINC000062806433 132388798 /nfs/dbraw/zinc/38/87/98/132388798.db2.gz YDNBIIRTSZMJTR-OAHLLOKOSA-N 1 0 244.338 2.396 10 0 BEAERO Fc1ccc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063190588 132389194 /nfs/dbraw/zinc/38/91/94/132389194.db2.gz HVUASTASFLHZAJ-QWHCGFSZSA-N 1 0 249.333 2.332 10 0 BEAERO C[C@@H]1Cc2ccccc2N([C@@H]2CC[NH2+]C2)C1 ZINC000071128402 132392320 /nfs/dbraw/zinc/39/23/20/132392320.db2.gz XVHNUQIVAVFLQU-DGCLKSJQSA-N 1 0 216.328 2.047 10 0 BEAERO C[C@H]1CN(c2ccc(F)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000071532825 132393718 /nfs/dbraw/zinc/39/37/18/132393718.db2.gz PVBSZOORORTGAZ-IUCAKERBSA-N 1 0 226.270 2.151 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cccc(F)c1F ZINC000083085605 132419967 /nfs/dbraw/zinc/41/99/67/132419967.db2.gz DPLJNTAMVPTMQE-DTWKUNHWSA-N 1 0 226.270 2.151 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccccc1F ZINC000083085129 132420004 /nfs/dbraw/zinc/42/00/04/132420004.db2.gz DMZAINXQFTZYOW-GHMZBOCLSA-N 1 0 222.307 2.402 10 0 BEAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccccc1 ZINC000083085223 132420024 /nfs/dbraw/zinc/42/00/24/132420024.db2.gz GLIHSUDDTNAUJD-NWDGAFQWSA-N 1 0 204.317 2.263 10 0 BEAERO CCc1ccccc1N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000083085122 132420058 /nfs/dbraw/zinc/42/00/58/132420058.db2.gz CMYJHIIPJLSTBM-NEPJUHHUSA-N 1 0 218.344 2.436 10 0 BEAERO CSc1ccc(N2CC[NH2+]C[C@@H]2C)cc1 ZINC000083086660 132420117 /nfs/dbraw/zinc/42/01/17/132420117.db2.gz BESRRZKHAWIQAW-JTQLQIEISA-N 1 0 222.357 2.207 10 0 BEAERO Cc1ccc(Cl)cc1N1CC[NH2+][C@@H](C)C1 ZINC000071531983 132439136 /nfs/dbraw/zinc/43/91/36/132439136.db2.gz GMWFZTPLQCIZOA-JTQLQIEISA-N 1 0 224.735 2.447 10 0 BEAERO CC(C)CCNc1nc(CC[NH3+])cs1 ZINC000020185388 166869147 /nfs/dbraw/zinc/86/91/47/166869147.db2.gz DVKAKTUXRLFVCV-UHFFFAOYSA-N 1 0 213.350 2.102 10 0 BEAERO CC(C)CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000335990068 134039933 /nfs/dbraw/zinc/03/99/33/134039933.db2.gz FTUCMFIANYBWCW-STQMWFEESA-N 1 0 238.375 2.118 10 0 BEAERO CC(C)CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000335990066 134039976 /nfs/dbraw/zinc/03/99/76/134039976.db2.gz FTUCMFIANYBWCW-OLZOCXBDSA-N 1 0 238.375 2.118 10 0 BEAERO CCc1nnc(C[N@@H+]2CCC[C@H]2C2CCC2)n1C ZINC000170872499 134253876 /nfs/dbraw/zinc/25/38/76/134253876.db2.gz UFRPLTAPKDTTSC-LBPRGKRZSA-N 1 0 248.374 2.142 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(C)o1 ZINC000175034774 134284337 /nfs/dbraw/zinc/28/43/37/134284337.db2.gz UFDOKEMNNPUMAC-QWHCGFSZSA-N 1 0 249.358 2.042 10 0 BEAERO C1=C[C@H](N2CC[N@H+]3CCCC[C@H]3C2)CCC1 ZINC000177756709 134299978 /nfs/dbraw/zinc/29/99/78/134299978.db2.gz VOBUJXFOKVJJEZ-KBPBESRZSA-N 1 0 220.360 2.265 10 0 BEAERO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C1CCC1 ZINC000178075037 134303001 /nfs/dbraw/zinc/30/30/01/134303001.db2.gz DWZNCKRENSNTLC-MNOVXSKESA-N 1 0 248.374 2.454 10 0 BEAERO O[C@@]12CCCC[C@@H]1C[N@H+](CC1CCC1)CC2 ZINC000220382759 134305960 /nfs/dbraw/zinc/30/59/60/134305960.db2.gz GCXBFFXXMWWSRD-ZIAGYGMSSA-N 1 0 223.360 2.414 10 0 BEAERO Cc1nc(C[C@H]2CCC[N@H+](CC3CC3)C2)no1 ZINC000178316105 134308230 /nfs/dbraw/zinc/30/82/30/134308230.db2.gz JTVPILUQNARWBO-GFCCVEGCSA-N 1 0 235.331 2.043 10 0 BEAERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C1CCC1 ZINC000178415602 134310088 /nfs/dbraw/zinc/31/00/88/134310088.db2.gz YGXTWEQKSKQTFM-ZYHUDNBSSA-N 1 0 248.374 2.454 10 0 BEAERO c1csc(C[N@@H+]2CCCN(C3CC3)CC2)c1 ZINC000179733222 134320751 /nfs/dbraw/zinc/32/07/51/134320751.db2.gz RZLUBDLHDGUXJL-UHFFFAOYSA-N 1 0 236.384 2.418 10 0 BEAERO COCCC[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000181284077 134334912 /nfs/dbraw/zinc/33/49/12/134334912.db2.gz TUNWCQQCAMBLFJ-IHRRRGAJSA-N 1 0 242.407 2.120 10 0 BEAERO O=C1NCCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000347926014 134335909 /nfs/dbraw/zinc/33/59/09/134335909.db2.gz YWQAZNAWKNGFJZ-CYBMUJFWSA-N 1 0 238.375 2.215 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000226247528 134361847 /nfs/dbraw/zinc/36/18/47/134361847.db2.gz LRICEKDCUCXAPM-AGIUHOORSA-N 1 0 211.349 2.412 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000184586482 134363792 /nfs/dbraw/zinc/36/37/92/134363792.db2.gz FSKKGZWXTJOKMA-JQWIXIFHSA-N 1 0 248.374 2.361 10 0 BEAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC000184764087 134370625 /nfs/dbraw/zinc/37/06/25/134370625.db2.gz NUKGDICMWALYSU-QWHCGFSZSA-N 1 0 240.391 2.269 10 0 BEAERO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000185589674 134381987 /nfs/dbraw/zinc/38/19/87/134381987.db2.gz QSLUOQLRIRVVCQ-PWSUYJOCSA-N 1 0 248.374 2.313 10 0 BEAERO OCC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000227566391 134383092 /nfs/dbraw/zinc/38/30/92/134383092.db2.gz VMGXAHHCWBIBRJ-JTQLQIEISA-N 1 0 241.281 2.169 10 0 BEAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC2(CCC2)C1 ZINC000187158928 134453046 /nfs/dbraw/zinc/45/30/46/134453046.db2.gz KTXGGGGZTGTSCD-LBPRGKRZSA-N 1 0 211.349 2.269 10 0 BEAERO CCCCCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231479759 134542262 /nfs/dbraw/zinc/54/22/62/134542262.db2.gz WYXFLEAVBBZTFF-GFCCVEGCSA-N 1 0 226.364 2.167 10 0 BEAERO CC1(C)C[NH+]([C@H]2CCCC[C@@H]2O)CC(C)(C)O1 ZINC000189651192 134550893 /nfs/dbraw/zinc/55/08/93/134550893.db2.gz OJEALJUMHGYVRD-RYUDHWBXSA-N 1 0 241.375 2.179 10 0 BEAERO CCCn1ccc(C[NH2+]CCC[C@@H](C)CO)c1 ZINC000233384184 134562855 /nfs/dbraw/zinc/56/28/55/134562855.db2.gz HTTPKQJJQIBYMN-CYBMUJFWSA-N 1 0 238.375 2.396 10 0 BEAERO CCCn1ccc(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000134535043 134714269 /nfs/dbraw/zinc/71/42/69/134714269.db2.gz OLMYYUXIVIDDCP-WCQYABFASA-N 1 0 222.332 2.165 10 0 BEAERO CCC[C@H](C)C[NH2+]CCC(=O)N1CCCCC1 ZINC000135757078 134754815 /nfs/dbraw/zinc/75/48/15/134754815.db2.gz ANXNKNFDXDSPGV-ZDUSSCGKSA-N 1 0 240.391 2.415 10 0 BEAERO Cc1ccncc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000071412526 134932893 /nfs/dbraw/zinc/93/28/93/134932893.db2.gz YAPYKRRNLGDSLQ-UHFFFAOYSA-N 1 0 241.294 2.101 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cnccn1 ZINC000247146773 134972207 /nfs/dbraw/zinc/97/22/07/134972207.db2.gz RFAWCFZPEGSXOY-CIQGVGRVSA-N 1 0 247.342 2.085 10 0 BEAERO CC(C)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247469669 134982122 /nfs/dbraw/zinc/98/21/22/134982122.db2.gz RNTWTLVUHAHMTF-OLZOCXBDSA-N 1 0 210.365 2.201 10 0 BEAERO CC(C)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000248021275 135001786 /nfs/dbraw/zinc/00/17/86/135001786.db2.gz NVXPFFFEPDEPDQ-DZGCQCFKSA-N 1 0 247.386 2.290 10 0 BEAERO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1nnc[nH]1 ZINC000070646216 135003680 /nfs/dbraw/zinc/00/36/80/135003680.db2.gz YVEFSOZEOWJHEK-GHMZBOCLSA-N 1 0 224.352 2.152 10 0 BEAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000248564041 135005502 /nfs/dbraw/zinc/00/55/02/135005502.db2.gz HRIPHRHZZHSHTA-GRYCIOLGSA-N 1 0 227.348 2.053 10 0 BEAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](C)O)C2)cc1 ZINC000248663004 135018278 /nfs/dbraw/zinc/01/82/78/135018278.db2.gz ZAVOOUUZDMYYEF-SGMGOOAPSA-N 1 0 249.354 2.254 10 0 BEAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@H](C)CC ZINC000248663586 135018308 /nfs/dbraw/zinc/01/83/08/135018308.db2.gz ZVCOFQIPKJZBQL-OLZOCXBDSA-N 1 0 231.380 2.142 10 0 BEAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000248660391 135018548 /nfs/dbraw/zinc/01/85/48/135018548.db2.gz WBBNSDQZHTUHEX-MELADBBJSA-N 1 0 243.391 2.142 10 0 BEAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cnccn1 ZINC000248701249 135019329 /nfs/dbraw/zinc/01/93/29/135019329.db2.gz AGSINXZJKBTWFM-VHRBIJSZSA-N 1 0 247.342 2.085 10 0 BEAERO CCC[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249889313 135047544 /nfs/dbraw/zinc/04/75/44/135047544.db2.gz QDTGXEBUSUEDHD-OLZOCXBDSA-N 1 0 238.375 2.119 10 0 BEAERO CC(C)[C@@H]1CC[N@@H+]([C@H]2CCCC[C@H]2O)C1 ZINC000251410314 135069080 /nfs/dbraw/zinc/06/90/80/135069080.db2.gz NPINMEJOLINVQG-FRRDWIJNSA-N 1 0 211.349 2.268 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)C1 ZINC000251753380 135076213 /nfs/dbraw/zinc/07/62/13/135076213.db2.gz USFWPTRTEJOWRD-NDBYEHHHSA-N 1 0 211.349 2.316 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC000251817385 135077576 /nfs/dbraw/zinc/07/75/76/135077576.db2.gz ZIKAKHDLBGITOO-MXWKQRLJSA-N 1 0 222.336 2.044 10 0 BEAERO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CC1CCC1 ZINC000252519974 135091975 /nfs/dbraw/zinc/09/19/75/135091975.db2.gz ASGNGTXMRFXJSZ-JSGCOSHPSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@H]([NH3+])CCNc1ncc(Cl)cc1F ZINC000086711207 135095373 /nfs/dbraw/zinc/09/53/73/135095373.db2.gz POVOUDLNYCPBSZ-LURJTMIESA-N 1 0 217.675 2.023 10 0 BEAERO c1cc(C2CC2)ccc1C[NH2+]C1COC1 ZINC000087194645 135111280 /nfs/dbraw/zinc/11/12/80/135111280.db2.gz RUBUMNLVGFMFDP-UHFFFAOYSA-N 1 0 203.285 2.052 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252813931 135111919 /nfs/dbraw/zinc/11/19/19/135111919.db2.gz ILTYQPYPBNKSQL-SRVKXCTJSA-N 1 0 229.389 2.023 10 0 BEAERO c1csc([C@H]([NH2+]C2COC2)C2CC2)c1 ZINC000087194965 135112454 /nfs/dbraw/zinc/11/24/54/135112454.db2.gz SLFGZFPCBYYPGD-LLVKDONJSA-N 1 0 209.314 2.188 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000252948204 135117830 /nfs/dbraw/zinc/11/78/30/135117830.db2.gz AYGWJNLOXCBQPV-AAVRWANBSA-N 1 0 222.376 2.201 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1C[C@@H]1C ZINC000252971326 135118665 /nfs/dbraw/zinc/11/86/65/135118665.db2.gz XYKPICKWLJSEJJ-REWJHTLYSA-N 1 0 222.376 2.201 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1C[C@H]1C ZINC000252971328 135118810 /nfs/dbraw/zinc/11/88/10/135118810.db2.gz XYKPICKWLJSEJJ-XJFOESAGSA-N 1 0 222.376 2.201 10 0 BEAERO COC[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253086510 135119885 /nfs/dbraw/zinc/11/98/85/135119885.db2.gz BQEUDUGSBOMBDB-DGAVXFQQSA-N 1 0 241.375 2.037 10 0 BEAERO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253088528 135120149 /nfs/dbraw/zinc/12/01/49/135120149.db2.gz FKZKMIAMKZYGPU-YNEHKIRRSA-N 1 0 211.349 2.412 10 0 BEAERO CSCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253094228 135120780 /nfs/dbraw/zinc/12/07/80/135120780.db2.gz NGGXQHWCJZPCST-UPJWGTAASA-N 1 0 243.416 2.365 10 0 BEAERO CCCn1ccc(C[NH2+][C@H](C)CCCO)c1 ZINC000087358838 135125575 /nfs/dbraw/zinc/12/55/75/135125575.db2.gz JICJWHWMIASLGN-GFCCVEGCSA-N 1 0 224.348 2.149 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000261533103 135163936 /nfs/dbraw/zinc/16/39/36/135163936.db2.gz PXHODGAAXOXNAI-VWYCJHECSA-N 1 0 232.318 2.091 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)C[C@H]1[NH3+] ZINC000261533102 135164019 /nfs/dbraw/zinc/16/40/19/135164019.db2.gz PXHODGAAXOXNAI-OUAUKWLOSA-N 1 0 232.318 2.091 10 0 BEAERO CCCC[C@@H](C[NH3+])Nc1nc(CCC)ns1 ZINC000087780161 135167918 /nfs/dbraw/zinc/16/79/18/135167918.db2.gz HJQZUEHYLBKBIP-VIFPVBQESA-N 1 0 242.392 2.420 10 0 BEAERO C[C@@H]1CCN(Cc2cccs2)[C@H](C[NH3+])C1 ZINC000261535929 135170701 /nfs/dbraw/zinc/17/07/01/135170701.db2.gz PSQDEERQIOFTLM-MNOVXSKESA-N 1 0 224.373 2.307 10 0 BEAERO C[C@@H]1CCN(Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000261537940 135174525 /nfs/dbraw/zinc/17/45/25/135174525.db2.gz WUUKSFPUNMSPMU-PWSUYJOCSA-N 1 0 224.373 2.307 10 0 BEAERO C[C@@H]1CN(C[C@H]2CCCC(F)(F)C2)C[C@@H](C)[NH2+]1 ZINC000261538118 135175512 /nfs/dbraw/zinc/17/55/12/135175512.db2.gz DFNKFYDJYVFGOP-UTUOFQBUSA-N 1 0 246.345 2.494 10 0 BEAERO C[C@@H]1CN(C[C@@H]2CCCC(F)(F)C2)[C@@H](C)C[NH2+]1 ZINC000261538125 135175738 /nfs/dbraw/zinc/17/57/38/135175738.db2.gz DWHBNAXRMWENGC-GRYCIOLGSA-N 1 0 246.345 2.494 10 0 BEAERO CC1CCC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261540588 135180438 /nfs/dbraw/zinc/18/04/38/135180438.db2.gz AHJDQZHRDXWWPT-PFSRBDOWSA-N 1 0 236.403 2.354 10 0 BEAERO Cc1cc(C)c(NC(=O)[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000163795627 135190192 /nfs/dbraw/zinc/19/01/92/135190192.db2.gz ARMUBOWIXHQTJA-GFCCVEGCSA-N 1 0 246.354 2.406 10 0 BEAERO Cc1cc(C)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000163795519 135190218 /nfs/dbraw/zinc/19/02/18/135190218.db2.gz ARMUBOWIXHQTJA-LBPRGKRZSA-N 1 0 246.354 2.406 10 0 BEAERO CC1(C)C(NC(=O)CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000261553935 135193775 /nfs/dbraw/zinc/19/37/75/135193775.db2.gz ONWHFZGIYVLKTH-SNVBAGLBSA-N 1 0 238.375 2.069 10 0 BEAERO CC[C@H](N[C@@H](C)[C@@H](C)[NH3+])c1ccccc1OC ZINC000261554911 135194398 /nfs/dbraw/zinc/19/43/98/135194398.db2.gz PJYPOBKNDIFTPW-MDZLAQPJSA-N 1 0 236.359 2.472 10 0 BEAERO Cc1cccc(C)c1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163846608 135208469 /nfs/dbraw/zinc/20/84/69/135208469.db2.gz MKKZHTOJGQLUMO-LLVKDONJSA-N 1 0 232.327 2.097 10 0 BEAERO CC1(C)CN(c2ccncc2Cl)CC[C@@H]1[NH3+] ZINC000261566883 135208539 /nfs/dbraw/zinc/20/85/39/135208539.db2.gz DRRUYGRXTOGROC-NSHDSACASA-N 1 0 239.750 2.299 10 0 BEAERO C[C@@H]1CCCN(c2nccc3occc32)[C@H]1C[NH3+] ZINC000261574626 135216705 /nfs/dbraw/zinc/21/67/05/135216705.db2.gz MSQGOIHKLZHJGK-PWSUYJOCSA-N 1 0 245.326 2.391 10 0 BEAERO C[C@@H]1CCN(c2nccc3occc32)[C@H](C[NH3+])C1 ZINC000261593535 135234295 /nfs/dbraw/zinc/23/42/95/135234295.db2.gz ZGOLKAIDSMNQRB-MNOVXSKESA-N 1 0 245.326 2.391 10 0 BEAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261620680 135244245 /nfs/dbraw/zinc/24/42/45/135244245.db2.gz ATEZGSDKNHYZCF-FDYHWXHSSA-N 1 0 238.375 2.056 10 0 BEAERO CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261620691 135244747 /nfs/dbraw/zinc/24/47/47/135244747.db2.gz ATEZGSDKNHYZCF-UMSGYPCISA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]([NH3+])c1nc(-c2cscn2)cs1 ZINC000084392196 135244914 /nfs/dbraw/zinc/24/49/14/135244914.db2.gz MQWGLROVRRZPRN-RXMQYKEDSA-N 1 0 211.315 2.286 10 0 BEAERO Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cc1C ZINC000261699762 135246689 /nfs/dbraw/zinc/24/66/89/135246689.db2.gz CPGLRTHHWFFEAI-VXGBXAGGSA-N 1 0 234.343 2.218 10 0 BEAERO Cc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c(C)n1 ZINC000268878836 135363997 /nfs/dbraw/zinc/36/39/97/135363997.db2.gz KZKFMGNHBXWXRV-LEWSCRJBSA-N 1 0 249.358 2.048 10 0 BEAERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccccn2)C1 ZINC000268211577 135364411 /nfs/dbraw/zinc/36/44/11/135364411.db2.gz IJHJWAWLBHONKL-NWDGAFQWSA-N 1 0 219.332 2.222 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]CCn2cc(C)cn2)C1 ZINC000164525809 135388030 /nfs/dbraw/zinc/38/80/30/135388030.db2.gz KZRCRKJPPVFBOK-OLZOCXBDSA-N 1 0 221.348 2.360 10 0 BEAERO CC[C@H]1CC[C@H]([NH2+]CCSCCCO)C1 ZINC000164523158 135389337 /nfs/dbraw/zinc/38/93/37/135389337.db2.gz GLYRCHQOCIWUKE-RYUDHWBXSA-N 1 0 231.405 2.270 10 0 BEAERO CC[C@@H]1CC[C@H]([NH2+]CCSCCCO)C1 ZINC000164523033 135389833 /nfs/dbraw/zinc/38/98/33/135389833.db2.gz GLYRCHQOCIWUKE-NEPJUHHUSA-N 1 0 231.405 2.270 10 0 BEAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1conc1C ZINC000334174042 135398121 /nfs/dbraw/zinc/39/81/21/135398121.db2.gz BXHRGMODRHTQDB-UONOGXRCSA-N 1 0 249.358 2.042 10 0 BEAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000082920171 135442015 /nfs/dbraw/zinc/44/20/15/135442015.db2.gz ZEAWOSHRBSVIMX-QWRGUYRKSA-N 1 0 238.718 2.406 10 0 BEAERO Cc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085356990 135482008 /nfs/dbraw/zinc/48/20/08/135482008.db2.gz XMJATALBVJDFTD-GHMZBOCLSA-N 1 0 236.290 2.200 10 0 BEAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCC1CCCCC1 ZINC000085365293 135482916 /nfs/dbraw/zinc/48/29/16/135482916.db2.gz OFJPZSUVNBILEF-OLZOCXBDSA-N 1 0 238.375 2.200 10 0 BEAERO CCC(CC)CN(CC)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085358958 135483129 /nfs/dbraw/zinc/48/31/29/135483129.db2.gz KIBLBLSQTIFTMG-STQMWFEESA-N 1 0 240.391 2.399 10 0 BEAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089448552 135535621 /nfs/dbraw/zinc/53/56/21/135535621.db2.gz QEKSSYVJXBGHJP-DGCLKSJQSA-N 1 0 232.327 2.024 10 0 BEAERO OCC1([NH2+]C[C@@H]2Cc3ccccc32)CCCC1 ZINC000090976681 135557451 /nfs/dbraw/zinc/55/74/51/135557451.db2.gz IDSOTUCUFANLAF-ZDUSSCGKSA-N 1 0 231.339 2.221 10 0 BEAERO C1CC([N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)C1 ZINC000335162416 135924090 /nfs/dbraw/zinc/92/40/90/135924090.db2.gz QSKHJEIEEMDFGY-NWDGAFQWSA-N 1 0 207.317 2.040 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000166102967 136052887 /nfs/dbraw/zinc/05/28/87/136052887.db2.gz QOFAYWOIHOVWLO-QNWHQSFQSA-N 1 0 209.333 2.022 10 0 BEAERO Cc1cnc([C@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)o1 ZINC000335401020 136094398 /nfs/dbraw/zinc/09/43/98/136094398.db2.gz UTWZKPWIUUIJAK-QWRGUYRKSA-N 1 0 237.347 2.103 10 0 BEAERO Cc1ccc(O)c(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000335596258 136104976 /nfs/dbraw/zinc/10/49/76/136104976.db2.gz GYGNIBSCMXIMBN-WDEREUQCSA-N 1 0 248.326 2.027 10 0 BEAERO Cc1ccc(O)c(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000335596257 136105221 /nfs/dbraw/zinc/10/52/21/136105221.db2.gz GYGNIBSCMXIMBN-QWRGUYRKSA-N 1 0 248.326 2.027 10 0 BEAERO COC[C@@H](C)C[NH2+][C@H](C)CC(C)(C)OC ZINC000045656843 322844275 /nfs/dbraw/zinc/84/42/75/322844275.db2.gz CDUPLJRCFQFYFC-WDEREUQCSA-N 1 0 217.353 2.062 10 0 BEAERO Cc1c([C@H](C)[NH2+]Cc2ccoc2)cnn1C ZINC000062103631 1172740273 /nfs/dbraw/zinc/74/02/73/1172740273.db2.gz NJIPTTXRGCFNLR-VIFPVBQESA-N 1 0 219.288 2.172 10 0 BEAERO C[C@@H](C[NH3+])Nc1nc2ccccc2s1 ZINC000082576205 322861058 /nfs/dbraw/zinc/86/10/58/322861058.db2.gz UBZAADAJIYNFMB-ZETCQYMHSA-N 1 0 207.302 2.055 10 0 BEAERO CC[N@@H+]1CCC[C@H]1CN(C)CCCOC(C)C ZINC000175335921 397771505 /nfs/dbraw/zinc/77/15/05/397771505.db2.gz PRQDECNGGXXQLO-AWEZNQCLSA-N 1 0 242.407 2.218 10 0 BEAERO C[NH+](C)[C@H]1CC[C@H](Nc2cncc(Cl)n2)C1 ZINC000301944418 397792556 /nfs/dbraw/zinc/79/25/56/397792556.db2.gz YWWPKTFISPCLFR-IUCAKERBSA-N 1 0 240.738 2.025 10 0 BEAERO C[C@H](CCC[NH3+])Nc1nccc(C(C)(C)C)n1 ZINC000310351501 397881479 /nfs/dbraw/zinc/88/14/79/397881479.db2.gz QSQFDJFWKLVXPW-SNVBAGLBSA-N 1 0 236.363 2.313 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299132 397933264 /nfs/dbraw/zinc/93/32/64/397933264.db2.gz MXSJOYSVUFWAQK-GXFFZTMASA-N 1 0 238.400 2.486 10 0 BEAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccsc2C)C1 ZINC000382299133 397934762 /nfs/dbraw/zinc/93/47/62/397934762.db2.gz MXSJOYSVUFWAQK-MFKMUULPSA-N 1 0 238.400 2.486 10 0 BEAERO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N)c(F)c1 ZINC000020550855 397966733 /nfs/dbraw/zinc/96/67/33/397966733.db2.gz ZXIYVLSDDBRGRI-KOLCDFICSA-N 1 0 238.306 2.238 10 0 BEAERO CC1(OC/C(Cl)=C/Cl)CC[NH2+]CC1 ZINC000307010608 397967710 /nfs/dbraw/zinc/96/77/10/397967710.db2.gz JCEKMPRQUBNHJN-VURMDHGXSA-N 1 0 224.131 2.464 10 0 BEAERO Cc1c(-c2ccc(C[NH3+])c(C)c2)cnn1C ZINC000395412413 398021249 /nfs/dbraw/zinc/02/12/49/398021249.db2.gz IPEUELLRSBDOAW-UHFFFAOYSA-N 1 0 215.300 2.163 10 0 BEAERO C[NH2+][C@H](C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000054073315 398025304 /nfs/dbraw/zinc/02/53/04/398025304.db2.gz QAFTYVZAWSCIOB-DGCLKSJQSA-N 1 0 234.343 2.108 10 0 BEAERO CCOC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)C(C)C ZINC000383619070 398031111 /nfs/dbraw/zinc/03/11/11/398031111.db2.gz UVSOXMXGGKNUOQ-RDBSUJKOSA-N 1 0 243.391 2.188 10 0 BEAERO [NH3+][C@@H]1CO[C@H](c2ccsc2Cl)C1 ZINC000575509606 397969518 /nfs/dbraw/zinc/96/95/18/397969518.db2.gz XYSLRRGRTDYKTK-FSPLSTOPSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+][C@H]1CO[C@@H](c2ccsc2Cl)C1 ZINC000575509607 397969659 /nfs/dbraw/zinc/96/96/59/397969659.db2.gz XYSLRRGRTDYKTK-IYSWYEEDSA-N 1 0 203.694 2.190 10 0 BEAERO [NH3+][C@H](c1cscn1)[C@H]1CCCCS1 ZINC000307127200 397984037 /nfs/dbraw/zinc/98/40/37/397984037.db2.gz IRHOFRDXSZGBEX-RKDXNWHRSA-N 1 0 214.359 2.429 10 0 BEAERO Clc1sccc1NC1=[NH+]CCCN1 ZINC000307135319 397986970 /nfs/dbraw/zinc/98/69/70/397986970.db2.gz QNPAMFSYYKZHBR-UHFFFAOYSA-N 1 0 215.709 2.163 10 0 BEAERO C[C@@H](C[N@@H+]1CCCC[C@H]1CN)C(C)(C)C ZINC000389309841 398072783 /nfs/dbraw/zinc/07/27/83/398072783.db2.gz BIOPJRQWROLBEC-RYUDHWBXSA-N 1 0 212.381 2.482 10 0 BEAERO Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1O ZINC000384226454 398078569 /nfs/dbraw/zinc/07/85/69/398078569.db2.gz ACWALQHUONGXNX-WDEREUQCSA-N 1 0 248.326 2.027 10 0 BEAERO COc1cccc([C@H](CC[NH+](C)C)C(C)=O)c1 ZINC000584627373 398080121 /nfs/dbraw/zinc/08/01/21/398080121.db2.gz VMNDUSNVXOKPII-CQSZACIVSA-N 1 0 235.327 2.320 10 0 BEAERO CC(C)(C)OC[C@@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000649807260 398114520 /nfs/dbraw/zinc/11/45/20/398114520.db2.gz PBNVUUITOALXNO-LBPRGKRZSA-N 1 0 241.375 2.085 10 0 BEAERO CC(C)C[NH2+][C@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000037946059 167014994 /nfs/dbraw/zinc/01/49/94/167014994.db2.gz WJRCVBXEUHVQAT-BXUZGUMPSA-N 1 0 240.391 2.302 10 0 BEAERO C[NH2+]C(C)(C)CN(C)c1ccccc1F ZINC000061319813 173319151 /nfs/dbraw/zinc/31/91/51/173319151.db2.gz XFABEOANZOYNOK-UHFFFAOYSA-N 1 0 210.296 2.260 10 0 BEAERO CC(C)[NH2+]CCN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000309637125 167104240 /nfs/dbraw/zinc/10/42/40/167104240.db2.gz SYNKHLGBIOLEFL-UONOGXRCSA-N 1 0 224.392 2.497 10 0 BEAERO CC(C)[NH2+]C[C@@H](C(C)C)N1CCCO[C@@H](C)C1 ZINC000061935674 167108615 /nfs/dbraw/zinc/10/86/15/167108615.db2.gz LJCUBQUZKZCRKS-KBPBESRZSA-N 1 0 242.407 2.120 10 0 BEAERO c1ccc2c(c1)cccc2CCN[C@H]1CC[NH2+]C1 ZINC000258912796 322878426 /nfs/dbraw/zinc/87/84/26/322878426.db2.gz IHNDBLICMJIIGO-HNNXBMFYSA-N 1 0 240.350 2.334 10 0 BEAERO CC(C)CC1(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000659383385 487557515 /nfs/dbraw/zinc/55/75/15/487557515.db2.gz PZXDMIMBTUFBTE-NEPJUHHUSA-N 1 0 238.375 2.069 10 0 BEAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CC=CCC1 ZINC000227891560 487562541 /nfs/dbraw/zinc/56/25/41/487562541.db2.gz WEXVMMWWWJKOII-UONOGXRCSA-N 1 0 241.375 2.110 10 0 BEAERO CCC[C@H]1CCCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000213056390 487567017 /nfs/dbraw/zinc/56/70/17/487567017.db2.gz XHJPNUYTXQUINN-OLZOCXBDSA-N 1 0 238.375 2.167 10 0 BEAERO CCN1CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000393240986 487569183 /nfs/dbraw/zinc/56/91/83/487569183.db2.gz OBAIIYRRAPUHOF-VXGBXAGGSA-N 1 0 212.381 2.352 10 0 BEAERO C[C@@H]1CCC[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000225423916 487572892 /nfs/dbraw/zinc/57/28/92/487572892.db2.gz ZHDNNRNPCWHUFQ-BBBLOLIVSA-N 1 0 221.304 2.398 10 0 BEAERO CC(C)OCCC[NH2+]CCN1CCCCCC1 ZINC000053343852 167221076 /nfs/dbraw/zinc/22/10/76/167221076.db2.gz DMJIOURFDCYHJA-UHFFFAOYSA-N 1 0 242.407 2.267 10 0 BEAERO CC1(C)CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000308910179 487579800 /nfs/dbraw/zinc/57/98/00/487579800.db2.gz MJLWZJSKMNXQLN-RYUDHWBXSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)OCCO[C@@H](C[NH3+])c1ccccc1F ZINC000043047622 167248429 /nfs/dbraw/zinc/24/84/29/167248429.db2.gz JQCZWFIWFAHKGL-ZDUSSCGKSA-N 1 0 241.306 2.267 10 0 BEAERO C[C@@H]1CCC[C@H](C[NH2+]CC2CC(O)C2)C1 ZINC000084447246 322913350 /nfs/dbraw/zinc/91/33/50/322913350.db2.gz NWJRPMIDWLUJLI-IALDZJHCSA-N 1 0 211.349 2.173 10 0 BEAERO CC[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000084447582 322913405 /nfs/dbraw/zinc/91/34/05/322913405.db2.gz PIDVBKJZRWLZBF-IGJPJIBNSA-N 1 0 211.349 2.316 10 0 BEAERO Cc1nc(C)c([C@@H](C)[NH2+]C2CC(CO)C2)s1 ZINC000658350097 487591034 /nfs/dbraw/zinc/59/10/34/487591034.db2.gz AXPPYGGGFQKDIM-MFAVDMRSSA-N 1 0 240.372 2.181 10 0 BEAERO Brc1cc([C@H]2CCC[NH2+]2)co1 ZINC000083299391 166096254 /nfs/dbraw/zinc/09/62/54/166096254.db2.gz NKOKWHWRXRATFG-SSDOTTSWSA-N 1 0 216.078 2.467 10 0 BEAERO Brc1cc([C@H]2CCC[NH2+]2)ccn1 ZINC000072193278 166096571 /nfs/dbraw/zinc/09/65/71/166096571.db2.gz BBKBTYYOQXHMRU-MRVPVSSYSA-N 1 0 227.105 2.269 10 0 BEAERO Brc1ccc(C2CC[NH2+]CC2)[nH]1 ZINC000082349576 166098513 /nfs/dbraw/zinc/09/85/13/166098513.db2.gz BLKJPNLKPOJVMB-UHFFFAOYSA-N 1 0 229.121 2.244 10 0 BEAERO Brc1ccc([C@@H]2CC[NH2+]2)cc1 ZINC000083967871 166099647 /nfs/dbraw/zinc/09/96/47/166099647.db2.gz KJWNZTPBMDNIPA-VIFPVBQESA-N 1 0 212.090 2.484 10 0 BEAERO Brc1cccc([C@H]2CC[NH2+]2)c1 ZINC000084178948 166101492 /nfs/dbraw/zinc/10/14/92/166101492.db2.gz RBMKGJLVXVPZFJ-SECBINFHSA-N 1 0 212.090 2.484 10 0 BEAERO CC1CC(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])C1 ZINC000653238627 410180915 /nfs/dbraw/zinc/18/09/15/410180915.db2.gz RTQBBJJOKDUFBL-KPFVRQRISA-N 1 0 238.375 2.008 10 0 BEAERO Brc1ccccc1[C@@H]1CC[NH2+]1 ZINC000077284947 166102926 /nfs/dbraw/zinc/10/29/26/166102926.db2.gz RWECNCYGZCQMRQ-VIFPVBQESA-N 1 0 212.090 2.484 10 0 in-vitro BEAERO Brc1cncc([C@H]2CCC[NH2+]C2)c1 ZINC000095827054 166106378 /nfs/dbraw/zinc/10/63/78/166106378.db2.gz ZSWMVYCQDGVDMY-QMMMGPOBSA-N 1 0 241.132 2.311 10 0 BEAERO Cc1cccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1O ZINC000133553007 410433958 /nfs/dbraw/zinc/43/39/58/410433958.db2.gz KZFLNSOKKHKDNZ-CQSZACIVSA-N 1 0 248.326 2.171 10 0 BEAERO CCN(CC)C(=O)C[C@@H](C[NH3+])C1CCCCC1 ZINC000076622439 169751183 /nfs/dbraw/zinc/75/11/83/169751183.db2.gz LHXNNZBUDJABJL-ZDUSSCGKSA-N 1 0 240.391 2.400 10 0 BEAERO Cc1ccc(C)c(Cn2cc(C(C)(C)[NH3+])nn2)c1 ZINC000070118572 410666117 /nfs/dbraw/zinc/66/61/17/410666117.db2.gz AYZAIMRITFMNDF-UHFFFAOYSA-N 1 0 244.342 2.137 10 0 BEAERO CC(C)(C)CC(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019472702 166549258 /nfs/dbraw/zinc/54/92/58/166549258.db2.gz IHNMRCRRIFOVJZ-NSHDSACASA-N 1 0 226.364 2.071 10 0 BEAERO CC(C)(C)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000032015058 166633250 /nfs/dbraw/zinc/63/32/50/166633250.db2.gz RVOINZPVJQFJHR-CYBMUJFWSA-N 1 0 225.307 2.421 10 0 BEAERO CC(C)(C)OC(=O)NC1CCC(C(N)=[NH2+])CC1 ZINC000042466186 166659452 /nfs/dbraw/zinc/65/94/52/166659452.db2.gz ACSOSFWHKXPCKL-UHFFFAOYSA-N 1 0 241.335 2.006 10 0 BEAERO CC(C)(C)[C@@H](O)C[C@@H]([NH3+])c1ccccc1 ZINC000044139012 166701015 /nfs/dbraw/zinc/70/10/15/166701015.db2.gz SGEPPXAUEWPERV-NEPJUHHUSA-N 1 0 207.317 2.484 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1(C2CC2)CCC1 ZINC000393330707 410677534 /nfs/dbraw/zinc/67/75/34/410677534.db2.gz IDCFBNWTRZPSBE-LBPRGKRZSA-N 1 0 238.375 2.056 10 0 BEAERO CCN1CC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000393359886 410678486 /nfs/dbraw/zinc/67/84/86/410678486.db2.gz TWENVGNGYAMQIS-GFCCVEGCSA-N 1 0 210.365 2.106 10 0 BEAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000393721378 410755495 /nfs/dbraw/zinc/75/54/95/410755495.db2.gz IOZGKRRSVFPQFG-AAEUAGOBSA-N 1 0 211.349 2.412 10 0 BEAERO CC(C)CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746624 166785398 /nfs/dbraw/zinc/78/53/98/166785398.db2.gz RJBAMOBRANZLKS-FUNVUKJBSA-N 1 0 238.375 2.164 10 0 BEAERO CC(C)CCC[NH2+]Cc1ccccc1C(N)=O ZINC000038093985 166815516 /nfs/dbraw/zinc/81/55/16/166815516.db2.gz JLCVONYTTXJTTC-UHFFFAOYSA-N 1 0 234.343 2.311 10 0 BEAERO CC(C)CCN(C)[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053498014 166832498 /nfs/dbraw/zinc/83/24/98/166832498.db2.gz JPUZMCXIPUWPBP-KGLIPLIRSA-N 1 0 242.407 2.121 10 0 BEAERO CC[NH+](CC)CCN(C)c1ccccc1N ZINC000019730766 169776610 /nfs/dbraw/zinc/77/66/10/169776610.db2.gz CCBKVXPFULAVGD-UHFFFAOYSA-N 1 0 221.348 2.047 10 0 BEAERO CC(C)CN(C)C(=O)CC1CCC([NH3+])CC1 ZINC000055126473 166931374 /nfs/dbraw/zinc/93/13/74/166931374.db2.gz BJUUJNOIHPAMMG-UHFFFAOYSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)C[NH2+]C[C@@H](O)c1ccc(N(C)C)cc1 ZINC000033465867 167006475 /nfs/dbraw/zinc/00/64/75/167006475.db2.gz MUXUSGGBYBMFBS-CQSZACIVSA-N 1 0 236.359 2.032 10 0 BEAERO CC(C)C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000378356642 167007096 /nfs/dbraw/zinc/00/70/96/167007096.db2.gz VXOALNWMIDKNGL-NSHDSACASA-N 1 0 207.321 2.006 10 0 BEAERO CC(C)C[NH2+]C[C@@H]1CCCN1Cc1ccncc1 ZINC000053649991 167007281 /nfs/dbraw/zinc/00/72/81/167007281.db2.gz RDCXHXJRUZBDHG-HNNXBMFYSA-N 1 0 247.386 2.292 10 0 BEAERO CC(C)C[NH2+]Cc1ccc(N(C)C(C)C)nn1 ZINC000051434712 167007673 /nfs/dbraw/zinc/00/76/73/167007673.db2.gz IIAAWSGYJKHFIA-UHFFFAOYSA-N 1 0 236.363 2.067 10 0 BEAERO CC(C)C[NH2+]Cc1ccc(N2CCC[C@@H]2C)nn1 ZINC000051398895 167008783 /nfs/dbraw/zinc/00/87/83/167008783.db2.gz GMIDEWVWRULTJI-LBPRGKRZSA-N 1 0 248.374 2.211 10 0 BEAERO CC(C)C[NH2+]Cc1cnc(-c2ncccn2)s1 ZINC000052331671 167010530 /nfs/dbraw/zinc/01/05/30/167010530.db2.gz QSKMMMOORUREGA-UHFFFAOYSA-N 1 0 248.355 2.346 10 0 BEAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336691026 167027232 /nfs/dbraw/zinc/02/72/32/167027232.db2.gz WPIMPDDQSUFNKL-NDBYEHHHSA-N 1 0 242.432 2.056 10 0 BEAERO CC(C)N1c2ccccc2[C@@H]2C[NH2+]CC[C@@H]21 ZINC000096251733 167035532 /nfs/dbraw/zinc/03/55/32/167035532.db2.gz NHGGVHLVKJLYPC-JSGCOSHPSA-N 1 0 216.328 2.361 10 0 BEAERO CC(C)NC(=[NH2+])N1CC[C@H](c2ccccc2)C1 ZINC000052040312 167036071 /nfs/dbraw/zinc/03/60/71/167036071.db2.gz BOGIRRRRZYZRHV-ZDUSSCGKSA-N 1 0 231.343 2.409 10 0 BEAERO CC(C)NC(=O)CC[C@H](C[NH3+])C1CCCCC1 ZINC000076622552 167047009 /nfs/dbraw/zinc/04/70/09/167047009.db2.gz RAJNFUKPDLEKFC-CYBMUJFWSA-N 1 0 240.391 2.446 10 0 BEAERO CCN(CC)CC[NH2+]CCC(C)(C)C ZINC000037488665 169779810 /nfs/dbraw/zinc/77/98/10/169779810.db2.gz GQOBAMAHYGJRGK-UHFFFAOYSA-N 1 0 200.370 2.354 10 0 BEAERO CC(C)NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000020209382 167078444 /nfs/dbraw/zinc/07/84/44/167078444.db2.gz VYDLFETZHKKKDO-VIFPVBQESA-N 1 0 221.304 2.236 10 0 BEAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1 ZINC000062186834 167079886 /nfs/dbraw/zinc/07/98/86/167079886.db2.gz IWLSAQPJAKUDHU-QWHCGFSZSA-N 1 0 248.370 2.120 10 0 BEAERO CC(C)[NH2+]C1[C@@H]2CCC[C@H]1CN(C(C)C)C2 ZINC000040768952 167095841 /nfs/dbraw/zinc/09/58/41/167095841.db2.gz PYNBUAVTJIDZAM-PBWFPOADSA-N 1 0 224.392 2.493 10 0 BEAERO CC(C)[NH2+]CC1(OC[C@H]2CCOC2)CCCC1 ZINC000050501630 167099460 /nfs/dbraw/zinc/09/94/60/167099460.db2.gz LQWOVTRNQNAFKR-ZDUSSCGKSA-N 1 0 241.375 2.350 10 0 BEAERO CC(C)[NH2+]CCN(C)c1nc2ccccc2o1 ZINC000053707005 167104849 /nfs/dbraw/zinc/10/48/49/167104849.db2.gz SRLXSPSDPOUIKD-UHFFFAOYSA-N 1 0 233.315 2.262 10 0 BEAERO CC(C)[NH2+]CCc1nc2cc(F)ccc2[nH]1 ZINC000037474937 167108304 /nfs/dbraw/zinc/10/83/04/167108304.db2.gz ZTQBYIBYGBERPJ-UHFFFAOYSA-N 1 0 221.279 2.243 10 0 BEAERO CC(C)[NH2+]CCc1nc2ccccc2o1 ZINC000037475175 167109624 /nfs/dbraw/zinc/10/96/24/167109624.db2.gz FZJYXWOIVSCWFL-UHFFFAOYSA-N 1 0 204.273 2.368 10 0 BEAERO CC(C)[NH2+]C[C@@H](O)c1cc2cc(O)ccc2o1 ZINC000027705031 167111835 /nfs/dbraw/zinc/11/18/35/167111835.db2.gz RXXGOBZGZGNUKR-LLVKDONJSA-N 1 0 235.283 2.170 10 0 BEAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1cccnc1 ZINC000054595256 167112645 /nfs/dbraw/zinc/11/26/45/167112645.db2.gz JCZMOHGKFBCMBY-STQMWFEESA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]C[C@H](C)CN(C)Cc1ccccn1 ZINC000052478770 167113224 /nfs/dbraw/zinc/11/32/24/167113224.db2.gz ZAHGVEUDOJNEFI-ZDUSSCGKSA-N 1 0 235.375 2.148 10 0 BEAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1ccccn1 ZINC000054594992 167113868 /nfs/dbraw/zinc/11/38/68/167113868.db2.gz LGVUEEFLQHUWCH-WCQYABFASA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]C[C@@H]1C[C@]1(C)c1ccncc1 ZINC000054595280 167113887 /nfs/dbraw/zinc/11/38/87/167113887.db2.gz SSZUEJSRUKBGMB-QWHCGFSZSA-N 1 0 204.317 2.357 10 0 BEAERO CC(C)[NH2+]C[C@@H]1CCCN1Cc1ccccn1 ZINC000053648938 167114083 /nfs/dbraw/zinc/11/40/83/167114083.db2.gz MUYPHQHKTKJWDH-AWEZNQCLSA-N 1 0 233.359 2.044 10 0 BEAERO CC(C)[NH2+]C[C@H](O)Cc1ccccc1Cl ZINC000071533475 167115687 /nfs/dbraw/zinc/11/56/87/167115687.db2.gz LKEDKHPELLHCJO-LLVKDONJSA-N 1 0 227.735 2.241 10 0 BEAERO CC(C)[NH2+]Cc1cc2c(s1)CCN(C)C2 ZINC000045206002 167116753 /nfs/dbraw/zinc/11/67/53/167116753.db2.gz IXPVULFENBYSBP-UHFFFAOYSA-N 1 0 224.373 2.234 10 0 BEAERO CC(C)[NH2+]Cc1csc(Br)n1 ZINC000095088478 167120502 /nfs/dbraw/zinc/12/05/02/167120502.db2.gz IFWNNCIKIHVIPF-UHFFFAOYSA-N 1 0 235.150 2.404 10 0 BEAERO CC(C)[NH2+]Cc1cnc(-c2ccco2)nc1 ZINC000054856040 167121103 /nfs/dbraw/zinc/12/11/03/167121103.db2.gz BUHFMHAZGXARRI-UHFFFAOYSA-N 1 0 217.272 2.235 10 0 BEAERO CC(C)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000040999707 167122094 /nfs/dbraw/zinc/12/20/94/167122094.db2.gz UPRRAAGZDPKQNC-UHFFFAOYSA-N 1 0 234.328 2.098 10 0 BEAERO CC(C)[NH2+][C@H](CO)c1cccc(Cl)c1 ZINC000038115740 167140129 /nfs/dbraw/zinc/14/01/29/167140129.db2.gz KJPANYHVXQFQMC-LLVKDONJSA-N 1 0 213.708 2.371 10 0 BEAERO CC(C)[NH2+][C@@H](CO)c1cccc(Cl)c1 ZINC000038115739 167132335 /nfs/dbraw/zinc/13/23/35/167132335.db2.gz KJPANYHVXQFQMC-NSHDSACASA-N 1 0 213.708 2.371 10 0 BEAERO CC(C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000121727666 167132473 /nfs/dbraw/zinc/13/24/73/167132473.db2.gz IBVVGYCOLNFLNP-NSHDSACASA-N 1 0 230.315 2.326 10 0 BEAERO CC(C)[NH2+][C@@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974240 167134013 /nfs/dbraw/zinc/13/40/13/167134013.db2.gz AOEMKSUXDQNSDR-BZNIZROVSA-N 1 0 241.331 2.376 10 0 BEAERO CC(C)[NH2+][C@@H](c1nccs1)[C@H]1CCOC1 ZINC000041061538 167135532 /nfs/dbraw/zinc/13/55/32/167135532.db2.gz QPOUZYMXHRVKSY-VHSXEESVSA-N 1 0 226.345 2.219 10 0 BEAERO CC(C)[NH2+][C@H](CO)c1cc2cc(O)ccc2o1 ZINC000082301351 167139828 /nfs/dbraw/zinc/13/98/28/167139828.db2.gz MMOAGMXLELZUGN-LLVKDONJSA-N 1 0 235.283 2.170 10 0 BEAERO CC(C)[NH2+][C@]1(C(N)=O)C[C@@H](C)CC(C)(C)C1 ZINC000037869257 167142677 /nfs/dbraw/zinc/14/26/77/167142677.db2.gz WESWTAKMNHLWGA-GXFFZTMASA-N 1 0 226.364 2.055 10 0 BEAERO CC(C)[NH2+][C@]1(c2nccs2)CCSC1 ZINC000041061523 167142746 /nfs/dbraw/zinc/14/27/46/167142746.db2.gz ZIRFQVSRTQJHBE-SNVBAGLBSA-N 1 0 228.386 2.473 10 0 BEAERO CC(C)Nc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860220 167144236 /nfs/dbraw/zinc/14/42/36/167144236.db2.gz CYKNPIXOTXBRGL-UHFFFAOYSA-N 1 0 211.696 2.444 10 0 BEAERO CC(C)OCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483558 167231479 /nfs/dbraw/zinc/23/14/79/167231479.db2.gz PYYOOXRWCUTWQE-CYBMUJFWSA-N 1 0 237.347 2.362 10 0 BEAERO CC(C)OCCO[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000020262989 167248730 /nfs/dbraw/zinc/24/87/30/167248730.db2.gz MKTMYXTZJXBILS-CABCVRRESA-N 1 0 249.354 2.443 10 0 BEAERO CC(C)OC[C@@H](O)C[N@@H+]1CCCC12CCCC2 ZINC000310540123 167261813 /nfs/dbraw/zinc/26/18/13/167261813.db2.gz SJQBVXVWGDWKSH-ZDUSSCGKSA-N 1 0 241.375 2.181 10 0 BEAERO CC(C)Oc1ccc(-c2ccc(NN)[nH+]n2)cc1 ZINC000050194162 167289069 /nfs/dbraw/zinc/28/90/69/167289069.db2.gz XHLVTPSJHNAAPV-UHFFFAOYSA-N 1 0 244.298 2.216 10 0 BEAERO CC(C)Oc1ccc(C[NH2+]CCN(C)C)cc1 ZINC000032090192 167294356 /nfs/dbraw/zinc/29/43/56/167294356.db2.gz VOQOHNAPIFNJLW-UHFFFAOYSA-N 1 0 236.359 2.125 10 0 BEAERO CC(C)Oc1ccc(C[NH2+]C[C@H](C)O)cc1F ZINC000098126653 167294900 /nfs/dbraw/zinc/29/49/00/167294900.db2.gz HIVQVJZANCUQHN-JTQLQIEISA-N 1 0 241.306 2.083 10 0 BEAERO CC(C)Oc1ccc([C@@H](C)[NH2+]CCO)cc1F ZINC000020549959 167300039 /nfs/dbraw/zinc/30/00/39/167300039.db2.gz GCMSBMPXVCSWNB-SNVBAGLBSA-N 1 0 241.306 2.256 10 0 BEAERO CC(C)Oc1ccc([C@H](C)N2CC[NH2+]CC2)cc1 ZINC000038086585 167300913 /nfs/dbraw/zinc/30/09/13/167300913.db2.gz PEKDVIXWXMQBRI-ZDUSSCGKSA-N 1 0 248.370 2.440 10 0 BEAERO CC(C)Oc1ccc([C@](C)([NH3+])CCO)cc1 ZINC000083617925 167302765 /nfs/dbraw/zinc/30/27/65/167302765.db2.gz ONSUKGBSNGVRQI-CYBMUJFWSA-N 1 0 223.316 2.030 10 0 BEAERO CC(C)[C@@H](C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236657716 167355446 /nfs/dbraw/zinc/35/54/46/167355446.db2.gz PBYCJCQUVINFJQ-QWHCGFSZSA-N 1 0 240.391 2.175 10 0 BEAERO CC(C)[C@@H](C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236655938 167355648 /nfs/dbraw/zinc/35/56/48/167355648.db2.gz XSOQCHPMLGBMFX-NWDGAFQWSA-N 1 0 226.364 2.008 10 0 BEAERO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000309541166 167381687 /nfs/dbraw/zinc/38/16/87/167381687.db2.gz DVWQVXCHOOBLHI-NEPJUHHUSA-N 1 0 221.348 2.395 10 0 BEAERO CC(C)[C@@H](CCO)[NH2+]C[C@H]1Cc2ccccc21 ZINC000231077651 167392596 /nfs/dbraw/zinc/39/25/96/167392596.db2.gz ULXMGLMRNWWLLN-UKRRQHHQSA-N 1 0 233.355 2.323 10 0 BEAERO CC(C)[C@@H](C[NH3+])N1CCc2sccc2C1 ZINC000022210837 167396512 /nfs/dbraw/zinc/39/65/12/167396512.db2.gz FOLNOKVPQOGRCT-LLVKDONJSA-N 1 0 224.373 2.090 10 0 BEAERO CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccco1)N(C)C ZINC000062769741 167398649 /nfs/dbraw/zinc/39/86/49/167398649.db2.gz YBWKLUMNEQEUHF-GXTWGEPZSA-N 1 0 238.375 2.386 10 0 BEAERO CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000036136694 167412844 /nfs/dbraw/zinc/41/28/44/167412844.db2.gz XNJUJLHCRNBEKH-UONOGXRCSA-N 1 0 246.354 2.116 10 0 BEAERO CC(C)[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000132401222 167473754 /nfs/dbraw/zinc/47/37/54/167473754.db2.gz OCKVMYCFHPGWCG-GFCCVEGCSA-N 1 0 238.375 2.010 10 0 BEAERO CC(C)c1ccc(C[C@H](O)C[NH2+]C2CC2)cc1 ZINC000071537188 167601942 /nfs/dbraw/zinc/60/19/42/167601942.db2.gz YISLTNDQOCYEQU-HNNXBMFYSA-N 1 0 233.355 2.465 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000211808312 411140574 /nfs/dbraw/zinc/14/05/74/411140574.db2.gz MDABQBPXCLOFJI-YPMHNXCESA-N 1 0 240.391 2.460 10 0 BEAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000651794218 411143931 /nfs/dbraw/zinc/14/39/31/411143931.db2.gz KZRLQRFICOZYNL-MROQNXINSA-N 1 0 238.375 2.212 10 0 BEAERO CC(C)CC[N@H+](CC(=O)NC(C)(C)C)C1CC1 ZINC000045751715 411148891 /nfs/dbraw/zinc/14/88/91/411148891.db2.gz DIXDXNJDGRKDGW-UHFFFAOYSA-N 1 0 240.391 2.412 10 0 BEAERO CCOC1CCC([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000657893770 411157558 /nfs/dbraw/zinc/15/75/58/411157558.db2.gz UAKQDNISQZJACK-BLYZHGLHSA-N 1 0 241.375 2.085 10 0 BEAERO CCN(CC[NH3+])c1nccc2ccccc21 ZINC000123805744 411168275 /nfs/dbraw/zinc/16/82/75/411168275.db2.gz WIFGMMWGSDMHFX-UHFFFAOYSA-N 1 0 215.300 2.020 10 0 BEAERO CCOC1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000657934507 411172503 /nfs/dbraw/zinc/17/25/03/411172503.db2.gz CLSAWKCTJIZGIM-XVSSEFHLSA-N 1 0 227.348 2.101 10 0 BEAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCNC(=O)C1 ZINC000111826313 411181286 /nfs/dbraw/zinc/18/12/86/411181286.db2.gz IOVQTNSKHVFCJE-STQMWFEESA-N 1 0 246.354 2.314 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CN(CC)C[C@@H]1C)C(C)C ZINC000336773679 411181913 /nfs/dbraw/zinc/18/19/13/411181913.db2.gz ZAGDBLKGDPCSDG-RWMBFGLXSA-N 1 0 212.381 2.351 10 0 BEAERO CC(C)CNC(=[NH2+])[C@H]1SCCS[C@@H]1C ZINC000228187448 411182990 /nfs/dbraw/zinc/18/29/90/411182990.db2.gz SXDMOAKOVRGWMT-BDAKNGLRSA-N 1 0 232.418 2.446 10 0 BEAERO CCC[C@H]([NH2+]C1CC(CO)C1)C1CCC1 ZINC000658353502 411243830 /nfs/dbraw/zinc/24/38/30/411243830.db2.gz NFXMJGSYGOVEMX-GDKBPFBDSA-N 1 0 211.349 2.316 10 0 BEAERO CC(C)n1cc(NC(=[NH2+])NC2CCCC2)cn1 ZINC000061683941 167754798 /nfs/dbraw/zinc/75/47/98/167754798.db2.gz LMRKPCUXMHAEJG-UHFFFAOYSA-N 1 0 235.335 2.343 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N(CC1CC1)C(C)C ZINC000129011593 411198530 /nfs/dbraw/zinc/19/85/30/411198530.db2.gz MCGJVJHOMBCBCE-GFCCVEGCSA-N 1 0 226.364 2.007 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CS1 ZINC000655698505 411248282 /nfs/dbraw/zinc/24/82/82/411248282.db2.gz GLPHYOQXVJOBBO-WYUUTHIRSA-N 1 0 229.389 2.164 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccn1 ZINC000246222262 411203656 /nfs/dbraw/zinc/20/36/56/411203656.db2.gz PEPKJHHQXNRXKE-CABCVRRESA-N 1 0 245.370 2.140 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C)(C)CC1 ZINC000129048187 411215124 /nfs/dbraw/zinc/21/51/24/411215124.db2.gz WIKZGHHNUIRIQA-NSHDSACASA-N 1 0 226.364 2.008 10 0 BEAERO C[C@@H](O)C[N@H+](C[C@@H]1Cc2ccccc21)C1CC1 ZINC000653901832 411216231 /nfs/dbraw/zinc/21/62/31/411216231.db2.gz FEAVCGMZLLVXRD-YPMHNXCESA-N 1 0 231.339 2.172 10 0 BEAERO C1=CCC(C[N@@H+]2CCN3CCCC[C@@H]3C2)C1 ZINC000660078476 411221581 /nfs/dbraw/zinc/22/15/81/411221581.db2.gz WDRZSGZXMUYAAI-CQSZACIVSA-N 1 0 220.360 2.123 10 0 BEAERO CC[C@H](C)C[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129109968 411229843 /nfs/dbraw/zinc/22/98/43/411229843.db2.gz KUXSXQXYPMRXIU-SRVKXCTJSA-N 1 0 228.380 2.301 10 0 BEAERO CC[C@@H](C)CN(CC)C(=O)C[C@H]([NH3+])C(C)C ZINC000129131644 411231349 /nfs/dbraw/zinc/23/13/49/411231349.db2.gz PNCWKPXDAXJPKW-NEPJUHHUSA-N 1 0 228.380 2.254 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccsc1 ZINC000129123077 411231602 /nfs/dbraw/zinc/23/16/02/411231602.db2.gz ZLKJSQNCCRGFRZ-VIFPVBQESA-N 1 0 212.318 2.060 10 0 BEAERO Cc1cccc(C)c1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000215702243 411235022 /nfs/dbraw/zinc/23/50/22/411235022.db2.gz ZRFMNIWLUXEYBN-UHFFFAOYSA-N 1 0 244.342 2.137 10 0 BEAERO CCc1nc(C[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000049591252 411240296 /nfs/dbraw/zinc/24/02/96/411240296.db2.gz BAXSIEFKHHVNEW-NSHDSACASA-N 1 0 240.372 2.364 10 0 BEAERO COc1ccccc1[C@H](C)N[C@H]1CCC[NH2+][C@@H]1C ZINC000396727757 411240435 /nfs/dbraw/zinc/24/04/35/411240435.db2.gz ZMCPVRFARAPPNX-SCRDCRAPSA-N 1 0 248.370 2.486 10 0 BEAERO Cc1ccc(C(=O)NC2(C[NH3+])CCCCC2)cc1 ZINC000111369168 411167171 /nfs/dbraw/zinc/16/71/71/411167171.db2.gz DIKCQFDMAABSLF-UHFFFAOYSA-N 1 0 246.354 2.386 10 0 BEAERO C[C@@H](N(C)C(=O)CC[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000310589019 411242263 /nfs/dbraw/zinc/24/22/63/411242263.db2.gz XXHTXNOXMSAZSP-VXGBXAGGSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CS1 ZINC000655710552 411263732 /nfs/dbraw/zinc/26/37/32/411263732.db2.gz AAAYVUQNIXNTSC-GMTAPVOTSA-N 1 0 231.405 2.267 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CS1 ZINC000655719760 411285118 /nfs/dbraw/zinc/28/51/18/411285118.db2.gz LVYIZJFXQGRLIF-WISYIIOYSA-N 1 0 229.389 2.021 10 0 BEAERO C[N@H+](CCc1ccccn1)C[C@@H]1CCC[C@H](O)C1 ZINC000310866749 411287710 /nfs/dbraw/zinc/28/77/10/411287710.db2.gz PAGUEBAZCCVSGL-HIFRSBDPSA-N 1 0 248.370 2.107 10 0 BEAERO C[N@@H+]1Cc2ccc(N[C@@H]3CCCC[C@H]3O)cc2C1 ZINC000656508196 411288676 /nfs/dbraw/zinc/28/86/76/411288676.db2.gz ZBYBBCWQPWITSK-HUUCEWRRSA-N 1 0 246.354 2.347 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000655723118 411296392 /nfs/dbraw/zinc/29/63/92/411296392.db2.gz HXYXZPJQVQDBDJ-NWDGAFQWSA-N 1 0 239.388 2.065 10 0 BEAERO O[C@@H](c1ccsc1Cl)[C@@H]1CC[NH2+]C1 ZINC000575512773 411298674 /nfs/dbraw/zinc/29/86/74/411298674.db2.gz GDIYGLUAOTWSLW-HTRCEHHLSA-N 1 0 217.721 2.044 10 0 BEAERO C[C@]1(c2cncc(Br)c2)CC[NH2+]1 ZINC000575453882 411308055 /nfs/dbraw/zinc/30/80/55/411308055.db2.gz OOMDXLZZYYBJRQ-SECBINFHSA-N 1 0 227.105 2.053 10 0 BEAERO c1ccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656609921 411308741 /nfs/dbraw/zinc/30/87/41/411308741.db2.gz ZVWUKUQYSHXQOD-CQSZACIVSA-N 1 0 245.370 2.298 10 0 BEAERO [NH3+]CC12CC(C1)CN2c1nc2ccccc2s1 ZINC000656611033 411309523 /nfs/dbraw/zinc/30/95/23/411309523.db2.gz QISGIIMWYHUFMD-UHFFFAOYSA-N 1 0 245.351 2.224 10 0 BEAERO CC[N@@H+](Cc1ccccn1)C[C@H]1CCC[C@@H](O)C1 ZINC000311056564 411309757 /nfs/dbraw/zinc/30/97/57/411309757.db2.gz YHJSSQKQJUMZFZ-DZGCQCFKSA-N 1 0 248.370 2.455 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000658244210 411309901 /nfs/dbraw/zinc/30/99/01/411309901.db2.gz KJHAEDMNVOOVJJ-QWHCGFSZSA-N 1 0 246.354 2.124 10 0 BEAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658243721 411310150 /nfs/dbraw/zinc/31/01/50/411310150.db2.gz GFCQYNVLMIKYHY-CHWSQXEVSA-N 1 0 246.354 2.124 10 0 BEAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCCC1 ZINC000658245199 411310449 /nfs/dbraw/zinc/31/04/49/411310449.db2.gz PYYJHUOKRFDAAH-NWDGAFQWSA-N 1 0 238.375 2.023 10 0 BEAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000658243383 411310752 /nfs/dbraw/zinc/31/07/52/411310752.db2.gz CUEBQSVKRGGZTG-OLZOCXBDSA-N 1 0 246.354 2.124 10 0 BEAERO CC1(C)CC[NH+](C[C@@H](O)c2ccc(N)cc2)CC1 ZINC000061818273 167920624 /nfs/dbraw/zinc/92/06/24/167920624.db2.gz LSBUVEUMSGRVFC-CQSZACIVSA-N 1 0 248.370 2.424 10 0 BEAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000308857955 167936741 /nfs/dbraw/zinc/93/67/41/167936741.db2.gz UMAINQMMVXLDHQ-TUAOUCFPSA-N 1 0 211.349 2.316 10 0 BEAERO C[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)[C@H]1C ZINC000050565439 411260233 /nfs/dbraw/zinc/26/02/33/411260233.db2.gz HOEODLWWEMKNJA-IALDZJHCSA-N 1 0 238.375 2.151 10 0 BEAERO CC1(C)CCCC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000658355720 411351847 /nfs/dbraw/zinc/35/18/47/411351847.db2.gz JFAOCPTWTPPJCL-MCIGGMRASA-N 1 0 211.349 2.316 10 0 BEAERO COc1cccc([C@@H](C)[NH2+]C2CC(CO)C2)c1 ZINC000658350355 411352601 /nfs/dbraw/zinc/35/26/01/411352601.db2.gz CUHAIOJANUXUBD-XSRFYTQQSA-N 1 0 235.327 2.117 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCc3sccc32)C1 ZINC000658351308 411353779 /nfs/dbraw/zinc/35/37/79/411353779.db2.gz MZXFDNACTFYURG-CBINBANVSA-N 1 0 237.368 2.486 10 0 BEAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(F)cc1 ZINC000658352187 411355484 /nfs/dbraw/zinc/35/54/84/411355484.db2.gz UHAYJQUPUPPPIF-JBLZRFIASA-N 1 0 223.291 2.247 10 0 BEAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000130498956 411355901 /nfs/dbraw/zinc/35/59/01/411355901.db2.gz DOJOXTBUNBXSJV-ZLDLUXBVSA-N 1 0 249.354 2.216 10 0 BEAERO OCC1CC([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000658352830 411356537 /nfs/dbraw/zinc/35/65/37/411356537.db2.gz BDQFEKLDBHCEPW-FFKWVLBGSA-N 1 0 223.360 2.316 10 0 BEAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)C1CCCC1 ZINC000069805586 411359818 /nfs/dbraw/zinc/35/98/18/411359818.db2.gz ZDACEGPKRWCVOF-NSHDSACASA-N 1 0 226.364 2.069 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000659339617 411366945 /nfs/dbraw/zinc/36/69/45/411366945.db2.gz JXEZANDUCJLABA-SDDRHHMPSA-N 1 0 240.391 2.302 10 0 BEAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CS1 ZINC000655728802 411367431 /nfs/dbraw/zinc/36/74/31/411367431.db2.gz YIMCPXYCKPBUIS-FVCCEPFGSA-N 1 0 243.416 2.411 10 0 BEAERO CC[C@H](C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659341637 411371472 /nfs/dbraw/zinc/37/14/72/411371472.db2.gz YOVLRKBNKKVOPS-SDDRHHMPSA-N 1 0 226.364 2.056 10 0 BEAERO Cc1cc2ccccc2nc1N1CCC[C@H]([NH3+])C1 ZINC000063106319 411341807 /nfs/dbraw/zinc/34/18/07/411341807.db2.gz LQZPXOVMGAMXPE-ZDUSSCGKSA-N 1 0 241.338 2.471 10 0 BEAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1ccc2c(c1)OCO2 ZINC000076647301 168002686 /nfs/dbraw/zinc/00/26/86/168002686.db2.gz YSUKWWXHRBXRKS-SKDRFNHKSA-N 1 0 219.284 2.114 10 0 BEAERO CC1(C)[C@@H](c2ccccc2)[N+](=O)C=CN1O ZINC000006394748 168002732 /nfs/dbraw/zinc/00/27/32/168002732.db2.gz PQLPCSUMCUOAJY-LLVKDONJSA-N 1 0 219.264 2.461 10 0 BEAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]CCCO)C2 ZINC000058055383 168003516 /nfs/dbraw/zinc/00/35/16/168003516.db2.gz VBNALKJYFXTXIP-WZRBSPASSA-N 1 0 211.349 2.173 10 0 BEAERO CC1(C[NH2+][C@@H]2CCc3c2cccc3O)COC1 ZINC000094721857 168045738 /nfs/dbraw/zinc/04/57/38/168045738.db2.gz CEKCXOGRZFPXSV-GFCCVEGCSA-N 1 0 233.311 2.006 10 0 BEAERO CC1([NH2+]Cc2cncnc2)CCCCC1 ZINC000054768181 168064660 /nfs/dbraw/zinc/06/46/60/168064660.db2.gz CFOMOBDRBUSCTL-UHFFFAOYSA-N 1 0 205.305 2.289 10 0 BEAERO CC1=CC[C@H]([C@H](C)CC[NH2+]CCO)CC1 ZINC000049784758 168121166 /nfs/dbraw/zinc/12/11/66/168121166.db2.gz JFZHEYOIQJFIFK-OLZOCXBDSA-N 1 0 211.349 2.341 10 0 BEAERO CC[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C(C)C ZINC000659249594 411381201 /nfs/dbraw/zinc/38/12/01/411381201.db2.gz DQGVSUMPTMBSLZ-NSHDSACASA-N 1 0 238.375 2.199 10 0 BEAERO CC1CCC(C)(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000128963377 168150045 /nfs/dbraw/zinc/15/00/45/168150045.db2.gz ZWQIXAJSWLLUES-MBHSVXNSSA-N 1 0 238.375 2.071 10 0 BEAERO CC1CCC(CO)([NH2+]Cc2cscn2)CC1 ZINC000053114133 168156303 /nfs/dbraw/zinc/15/63/03/168156303.db2.gz SEBTYCMIJPLALN-UHFFFAOYSA-N 1 0 240.372 2.174 10 0 BEAERO CC(C)[C@H](CN)[N@H+](C)C1CCC(C)CC1 ZINC000042472872 168160381 /nfs/dbraw/zinc/16/03/81/168160381.db2.gz DZFGCBITIJPINC-BPCQOVAHSA-N 1 0 212.381 2.480 10 0 BEAERO CC1CCC(NC(=O)[C@H]([NH3+])C(C)(C)C)CC1 ZINC000077488079 168161545 /nfs/dbraw/zinc/16/15/45/168161545.db2.gz UXYFXSUUVOULGI-ILDUYXDCSA-N 1 0 226.364 2.055 10 0 BEAERO CC1CCC(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000019507611 168161862 /nfs/dbraw/zinc/16/18/62/168161862.db2.gz DDTRBPRBMHPMKU-CMOBGSAGSA-N 1 0 238.375 2.069 10 0 BEAERO CC1CCC(OC(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000062842524 168166510 /nfs/dbraw/zinc/16/65/10/168166510.db2.gz HMYGXIBVAVPSME-UHFFFAOYSA-N 1 0 239.359 2.498 10 0 BEAERO CC1CC[NH+]([C@@H](CN)Cc2ccccc2)CC1 ZINC000022163627 168185836 /nfs/dbraw/zinc/18/58/36/168185836.db2.gz YGHOXOZNJPRPAE-OAHLLOKOSA-N 1 0 232.371 2.288 10 0 BEAERO CC1OCC([C@H](c2ccccc2)[NH+](C)C)CO1 ZINC000039215622 168191412 /nfs/dbraw/zinc/19/14/12/168191412.db2.gz NIOPXVUUFUEENU-UBHUBRDASA-N 1 0 235.327 2.298 10 0 BEAERO CCC(=O)CCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000300121139 168198706 /nfs/dbraw/zinc/19/87/06/168198706.db2.gz TXBLQVFDHPRXOY-KGLIPLIRSA-N 1 0 239.359 2.389 10 0 BEAERO CCC(=O)Nc1ccccc1[C@H](C)[NH2+]C ZINC000035643067 168247504 /nfs/dbraw/zinc/24/75/04/168247504.db2.gz YQJPYQHSUODAJL-VIFPVBQESA-N 1 0 206.289 2.316 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659929025 411384657 /nfs/dbraw/zinc/38/46/57/411384657.db2.gz PFQJLXJSNVCAPJ-UXXRCYHCSA-N 1 0 234.387 2.201 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CC=CC1 ZINC000659929525 411384911 /nfs/dbraw/zinc/38/49/11/411384911.db2.gz SIFJRWAOQCATFV-TZMCWYRMSA-N 1 0 220.360 2.121 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000049281724 168289505 /nfs/dbraw/zinc/28/95/05/168289505.db2.gz ZEGVBDAJYHGXNY-NEPJUHHUSA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000049281721 168290260 /nfs/dbraw/zinc/29/02/60/168290260.db2.gz ZEGVBDAJYHGXNY-RYUDHWBXSA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)[NH2+]CC(=O)NCc1ccccc1 ZINC000020303308 168297502 /nfs/dbraw/zinc/29/75/02/168297502.db2.gz SADFMSAWCMCJHW-UHFFFAOYSA-N 1 0 234.343 2.081 10 0 BEAERO CCC(C)(C)[NH2+]C[C@H](C)N1CCCO[C@H](C)C1 ZINC000061936415 168298877 /nfs/dbraw/zinc/29/88/77/168298877.db2.gz GHQWSXWUQBGFHB-QWHCGFSZSA-N 1 0 242.407 2.264 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659339354 411398291 /nfs/dbraw/zinc/39/82/91/411398291.db2.gz HOQVOORZOKYAAG-SDDRHHMPSA-N 1 0 240.391 2.445 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000659340758 411399550 /nfs/dbraw/zinc/39/95/50/411399550.db2.gz XGXMIIBWDRFWGE-SDDRHHMPSA-N 1 0 240.391 2.315 10 0 BEAERO CC(C)CC1(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659380743 411407650 /nfs/dbraw/zinc/40/76/50/411407650.db2.gz BTQCVVJXQVEMON-RYUDHWBXSA-N 1 0 238.375 2.199 10 0 BEAERO C[NH2+][C@H](C)C(=O)NC1CCC(C2CCC2)CC1 ZINC000659387283 411409665 /nfs/dbraw/zinc/40/96/65/411409665.db2.gz YJDWSNNRJZDBSI-QFWMXSHPSA-N 1 0 238.375 2.069 10 0 BEAERO CC[N@@H+]1CCCOC[C@H]1c1ccccc1N ZINC000616648243 411411659 /nfs/dbraw/zinc/41/16/59/411411659.db2.gz CCESZXWYZOZVBD-ZDUSSCGKSA-N 1 0 220.316 2.052 10 0 BEAERO CC(C)[N@@H+]1CCCO[C@H](c2ccc(N)cc2)C1 ZINC000616648829 411411974 /nfs/dbraw/zinc/41/19/74/411411974.db2.gz DNSDEKQPGKRVPB-AWEZNQCLSA-N 1 0 234.343 2.441 10 0 BEAERO CCN(C[C@@H](C)C[NH3+])C(=O)Nc1ccccc1 ZINC000042441993 169880215 /nfs/dbraw/zinc/88/02/15/169880215.db2.gz NLADLUXEIZNIAS-NSHDSACASA-N 1 0 235.331 2.135 10 0 BEAERO CCN(C[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000051890165 169887226 /nfs/dbraw/zinc/88/72/26/169887226.db2.gz MREOKDZKVUBRKS-LLVKDONJSA-N 1 0 222.307 2.262 10 0 BEAERO CCN(C[C@H](C)C[NH3+])C(=O)c1ccccc1C ZINC000042441343 169889761 /nfs/dbraw/zinc/88/97/61/169889761.db2.gz TXPYYARYHCUUSH-LLVKDONJSA-N 1 0 234.343 2.052 10 0 BEAERO Cc1cc(C(C)C)nc(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000122566663 411433325 /nfs/dbraw/zinc/43/33/25/411433325.db2.gz BXJAGZRTEGDPFH-LBPRGKRZSA-N 1 0 248.374 2.320 10 0 BEAERO Cc1cc(C(C)C)nc(N2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000122595858 411434395 /nfs/dbraw/zinc/43/43/95/411434395.db2.gz XIGJJFOTQJYONN-PWSUYJOCSA-N 1 0 248.374 2.082 10 0 BEAERO CC[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000128895721 411442560 /nfs/dbraw/zinc/44/25/60/411442560.db2.gz KGIKQETVGXBAPL-NWDGAFQWSA-N 1 0 226.364 2.151 10 0 BEAERO CCN(Cc1ccc(OC)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071312320 169908061 /nfs/dbraw/zinc/90/80/61/169908061.db2.gz PFBBBPSJRHJAIZ-AWEZNQCLSA-N 1 0 248.370 2.187 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+][C@H](CC(C)C)CN(C)C)CO1 ZINC000657347072 411471363 /nfs/dbraw/zinc/47/13/63/411471363.db2.gz SDBMCJXIJVGULX-HZSPNIEDSA-N 1 0 242.407 2.120 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2C2CC2)C1 ZINC000659878952 411488246 /nfs/dbraw/zinc/48/82/46/411488246.db2.gz SOQGJALYPGXHKG-IACUBPJLSA-N 1 0 223.360 2.412 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]2C2CC2)C1 ZINC000659878955 411488658 /nfs/dbraw/zinc/48/86/58/411488658.db2.gz SOQGJALYPGXHKG-YUTCNCBUSA-N 1 0 223.360 2.412 10 0 BEAERO Cc1ncc(C[NH2+][C@H](C)c2cncc(F)c2)n1C ZINC000657430715 411507966 /nfs/dbraw/zinc/50/79/66/411507966.db2.gz BCGAHRVJNCRBRT-SECBINFHSA-N 1 0 248.305 2.113 10 0 BEAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CO1 ZINC000657455028 411516323 /nfs/dbraw/zinc/51/63/23/411516323.db2.gz FVBXITCJRQLVBK-ZUWCUPBKSA-N 1 0 241.375 2.347 10 0 BEAERO CCN1CC[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC000328223563 170020415 /nfs/dbraw/zinc/02/04/15/170020415.db2.gz ZIEFWLFNRSMQJH-RUXDESIVSA-N 1 0 224.392 2.497 10 0 BEAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000336898083 170022582 /nfs/dbraw/zinc/02/25/82/170022582.db2.gz QDLXIEQRYWVHOJ-JSGCOSHPSA-N 1 0 248.370 2.440 10 0 BEAERO CCN1CCc2cc(C[C@@H](C)[NH3+])c(C)cc21 ZINC000029213877 170023923 /nfs/dbraw/zinc/02/39/23/170023923.db2.gz LRZMNFBWNOBYAQ-LLVKDONJSA-N 1 0 218.344 2.267 10 0 BEAERO CCN1CCc2nc([C@@](C)([NH3+])CC)sc2C1 ZINC000041059528 170025515 /nfs/dbraw/zinc/02/55/15/170025515.db2.gz NYYBVURATATFMQ-LBPRGKRZSA-N 1 0 239.388 2.105 10 0 BEAERO CCN1C[C@@H](C)[C@H]([NH2+]CC2CCSCC2)C1 ZINC000309419804 170031515 /nfs/dbraw/zinc/03/15/15/170031515.db2.gz AKRMCUOWZKSCLU-DGCLKSJQSA-N 1 0 242.432 2.059 10 0 BEAERO CCN1C[C@H]([NH2+][C@@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000309907560 170036556 /nfs/dbraw/zinc/03/65/56/170036556.db2.gz KZLCTQWWBXWHDO-RWMBFGLXSA-N 1 0 224.392 2.495 10 0 BEAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000309046086 170039536 /nfs/dbraw/zinc/03/95/36/170039536.db2.gz ORNZPOCMYHDFLA-ZDEQEGDKSA-N 1 0 210.365 2.105 10 0 BEAERO CCNC(=O)[C@@H](CC[NH3+])c1ccc(C(C)C)cc1 ZINC000076634050 170089923 /nfs/dbraw/zinc/08/99/23/170089923.db2.gz MOHQHCAMVIMDAZ-AWEZNQCLSA-N 1 0 248.370 2.379 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000061287608 170107166 /nfs/dbraw/zinc/10/71/66/170107166.db2.gz WXCIVYOFTKHFGN-QWRGUYRKSA-N 1 0 226.364 2.069 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000061289767 170107225 /nfs/dbraw/zinc/10/72/25/170107225.db2.gz ONSODGSGCLRCIS-UHFFFAOYSA-N 1 0 249.358 2.079 10 0 BEAERO CC[NH2+]C(C)(C)CN1CCC[C@H](C)[C@@H]1C ZINC000061299953 170107326 /nfs/dbraw/zinc/10/73/26/170107326.db2.gz XTHSRPBOXWTISB-RYUDHWBXSA-N 1 0 212.381 2.495 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000061298904 170107462 /nfs/dbraw/zinc/10/74/62/170107462.db2.gz NSHLLSJTVIZTML-UHFFFAOYSA-N 1 0 248.326 2.216 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CC ZINC000061291721 170107529 /nfs/dbraw/zinc/10/75/29/170107529.db2.gz GHZAOKGWKPPPPV-RYUDHWBXSA-N 1 0 240.391 2.460 10 0 BEAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)cn1 ZINC000061288419 170107483 /nfs/dbraw/zinc/10/74/83/170107483.db2.gz YEICIQUWHOZBPC-UHFFFAOYSA-N 1 0 241.722 2.062 10 0 BEAERO CCNC1(c2nccs2)CC[NH+](CC)CC1 ZINC000041060958 170108742 /nfs/dbraw/zinc/10/87/42/170108742.db2.gz RQTJXKULRPTJKC-UHFFFAOYSA-N 1 0 239.388 2.064 10 0 BEAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cnn(CC)c1 ZINC000054628173 170109704 /nfs/dbraw/zinc/10/97/04/170109704.db2.gz VTXOBZUHCCKUFH-YHWZYXNKSA-N 1 0 248.374 2.012 10 0 BEAERO CC[NH2+]C1CCN([C@@H](C)Cc2ccco2)CC1 ZINC000042590195 170109846 /nfs/dbraw/zinc/10/98/46/170109846.db2.gz JTJCUNZDCXNYPO-LBPRGKRZSA-N 1 0 236.359 2.285 10 0 BEAERO CC[NH2+]CC(=O)c1ccc(Cl)s1 ZINC000049812787 170110589 /nfs/dbraw/zinc/11/05/89/170110589.db2.gz CCLVRCAKJHFOGS-UHFFFAOYSA-N 1 0 203.694 2.194 10 0 BEAERO CC[NH2+]CC1(OCC2CCOCC2)CCCC1 ZINC000052150802 170110754 /nfs/dbraw/zinc/11/07/54/170110754.db2.gz ALWJIKGILAYBER-UHFFFAOYSA-N 1 0 241.375 2.352 10 0 BEAERO CC[NH2+]CCC(=O)N(C)C1CCC(CC)CC1 ZINC000061297006 170112188 /nfs/dbraw/zinc/11/21/88/170112188.db2.gz JDQQKYZPPVDBME-UHFFFAOYSA-N 1 0 240.391 2.413 10 0 BEAERO CC[NH2+]CCCCc1ccc2c(c1)CC(=O)N2 ZINC000098125261 170112297 /nfs/dbraw/zinc/11/22/97/170112297.db2.gz CKUYVGABXUYTDY-UHFFFAOYSA-N 1 0 232.327 2.113 10 0 BEAERO CC[NH2+]CCCNc1nc2ccccc2o1 ZINC000038043519 170112464 /nfs/dbraw/zinc/11/24/64/170112464.db2.gz CTPCZWBLUNJOCH-UHFFFAOYSA-N 1 0 219.288 2.239 10 0 BEAERO CC[NH2+]CCCOc1c(OC)cccc1OC ZINC000020525024 170113037 /nfs/dbraw/zinc/11/30/37/170113037.db2.gz SZMWTHUJGOLPGP-UHFFFAOYSA-N 1 0 239.315 2.082 10 0 BEAERO CC[NH2+]CC[C@H](C)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052573237 170117179 /nfs/dbraw/zinc/11/71/79/170117179.db2.gz IUWJQUIVGXGWOK-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO CC[NH2+]CC[C@H](O)c1cc(C)c(C)cc1OC ZINC000049828983 170117365 /nfs/dbraw/zinc/11/73/65/170117365.db2.gz OAZMFNQTWACYCA-ZDUSSCGKSA-N 1 0 237.343 2.345 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)CC(C)C ZINC000061236097 170117873 /nfs/dbraw/zinc/11/78/73/170117873.db2.gz KPMUIPWONZGGIB-NEPJUHHUSA-N 1 0 228.380 2.125 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCCCCC1 ZINC000061228654 170118033 /nfs/dbraw/zinc/11/80/33/170118033.db2.gz PGRRCHDUBREHFL-GFCCVEGCSA-N 1 0 226.364 2.025 10 0 BEAERO CC[NH2+]C[C@@H](CC)N1CCc2ccccc2C1 ZINC000047944156 170119275 /nfs/dbraw/zinc/11/92/75/170119275.db2.gz IQVFBTPYXOVTAJ-OAHLLOKOSA-N 1 0 232.371 2.433 10 0 BEAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H]1CCc2ccccc21 ZINC000061230348 170119541 /nfs/dbraw/zinc/11/95/41/170119541.db2.gz WPUXFRVPFAFPFN-RISCZKNCSA-N 1 0 246.354 2.036 10 0 BEAERO CC[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000055027761 170119640 /nfs/dbraw/zinc/11/96/40/170119640.db2.gz FNMMWDSRCOLNJM-CQSZACIVSA-N 1 0 215.296 2.483 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(OCC)c(Cl)c1 ZINC000071558364 170119936 /nfs/dbraw/zinc/11/99/36/170119936.db2.gz UNXCAXSWVSLQAP-LLVKDONJSA-N 1 0 243.734 2.382 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(OC(C)C)c(C)c1 ZINC000071548303 170120076 /nfs/dbraw/zinc/12/00/76/170120076.db2.gz IPFAMBJVOJSKPB-CYBMUJFWSA-N 1 0 237.343 2.425 10 0 BEAERO CC[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000032014594 170120104 /nfs/dbraw/zinc/12/01/04/170120104.db2.gz NZVJYBSLYMQBLK-CYBMUJFWSA-N 1 0 223.316 2.117 10 0 BEAERO CC[NH2+]C[C@@H](O)c1cc(Cl)ccc1F ZINC000083264703 170120208 /nfs/dbraw/zinc/12/02/08/170120208.db2.gz HMFCYAWNIQWRAI-SNVBAGLBSA-N 1 0 217.671 2.122 10 0 BEAERO CC[NH2+]C[C@@H]1CCN(c2ccccc2C)C1 ZINC000053012969 170120353 /nfs/dbraw/zinc/12/03/53/170120353.db2.gz BPDKXEPXFYCLPJ-ZDUSSCGKSA-N 1 0 218.344 2.431 10 0 BEAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000054590388 170120664 /nfs/dbraw/zinc/12/06/64/170120664.db2.gz KINJTZGGTOFMEW-JSGCOSHPSA-N 1 0 218.344 2.466 10 0 BEAERO CC[NH2+]C[C@@](O)(CC)c1ccc(OC)c(C)c1 ZINC000033466290 170120917 /nfs/dbraw/zinc/12/09/17/170120917.db2.gz UZCBFUKZYZNWGZ-AWEZNQCLSA-N 1 0 237.343 2.211 10 0 BEAERO CC[NH2+]C[C@@](O)(CC)c1cc(C)ccc1OC ZINC000033466292 170120993 /nfs/dbraw/zinc/12/09/93/170120993.db2.gz KFOPHUZCXFXCFP-AWEZNQCLSA-N 1 0 237.343 2.211 10 0 BEAERO CC[NH2+]C[C@@](C)(O)c1ccc(CC)cc1 ZINC000032011825 170121099 /nfs/dbraw/zinc/12/10/99/170121099.db2.gz ZJBSQVBJRRTKQC-CYBMUJFWSA-N 1 0 207.317 2.066 10 0 BEAERO CC[NH2+]C[C@@]1(O)CCCCc2ccccc21 ZINC000055027813 170121260 /nfs/dbraw/zinc/12/12/60/170121260.db2.gz DLUMGONCXCSAEK-AWEZNQCLSA-N 1 0 219.328 2.210 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)CC(C)C ZINC000061236101 170121273 /nfs/dbraw/zinc/12/12/73/170121273.db2.gz KPMUIPWONZGGIB-RYUDHWBXSA-N 1 0 228.380 2.125 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000061234549 170121563 /nfs/dbraw/zinc/12/15/63/170121563.db2.gz YGWXEYJMYGFVMD-QWHCGFSZSA-N 1 0 248.370 2.418 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000061228135 170121747 /nfs/dbraw/zinc/12/17/47/170121747.db2.gz AIPIJNYUHYRUDD-LBPRGKRZSA-N 1 0 234.343 2.488 10 0 BEAERO CC[NH2+]C[C@H](CC)N1CCO[C@H]2CCCC[C@@H]21 ZINC000052573050 170122248 /nfs/dbraw/zinc/12/22/48/170122248.db2.gz NQDLHWXACDTSIT-IHRRRGAJSA-N 1 0 240.391 2.018 10 0 BEAERO CC[NH2+]C[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000061227752 170122270 /nfs/dbraw/zinc/12/22/70/170122270.db2.gz BQCLQRZKZFCKBX-RYUDHWBXSA-N 1 0 246.354 2.210 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(OCC)c(Cl)c1 ZINC000071558362 170122416 /nfs/dbraw/zinc/12/24/16/170122416.db2.gz UNXCAXSWVSLQAP-NSHDSACASA-N 1 0 243.734 2.382 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000037871976 170122516 /nfs/dbraw/zinc/12/25/16/170122516.db2.gz CQYQVBWQNWIPAL-AWEZNQCLSA-N 1 0 215.296 2.483 10 0 BEAERO CC[NH2+]C[C@H](O)c1ccc(OC)c(C(C)C)c1 ZINC000049828909 170122802 /nfs/dbraw/zinc/12/28/02/170122802.db2.gz MCGUUWGFKNRACK-ZDUSSCGKSA-N 1 0 237.343 2.462 10 0 BEAERO CC[NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000053012906 170123332 /nfs/dbraw/zinc/12/33/32/170123332.db2.gz OMMYVDLUHXSYLU-GFCCVEGCSA-N 1 0 234.343 2.131 10 0 BEAERO CC[NH2+]C[C@](C)(O)c1ccc(OC(C)C)cc1 ZINC000033466203 170123441 /nfs/dbraw/zinc/12/34/41/170123441.db2.gz IIIKHYQIDFPKLF-AWEZNQCLSA-N 1 0 237.343 2.291 10 0 BEAERO CC[NH2+]Cc1cnc(Cc2ccc(OC)cc2)[nH]1 ZINC000062820989 170124338 /nfs/dbraw/zinc/12/43/38/170124338.db2.gz RCNWZRGBVSSHHS-UHFFFAOYSA-N 1 0 245.326 2.119 10 0 BEAERO CC[NH2+]Cc1cc(COc2ccccc2)on1 ZINC000052668235 170125346 /nfs/dbraw/zinc/12/53/46/170125346.db2.gz GINOXKNGKASYLP-UHFFFAOYSA-N 1 0 232.283 2.363 10 0 BEAERO CC[NH2+]Cc1cc(N2CC[C@@H](C)C2)ccn1 ZINC000051448404 170125754 /nfs/dbraw/zinc/12/57/54/170125754.db2.gz FDHAPMDZVFOKQJ-LLVKDONJSA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1ccc(N(C)CCC(C)C)nn1 ZINC000051492632 170126138 /nfs/dbraw/zinc/12/61/38/170126138.db2.gz VBHHPEAULHVPLK-UHFFFAOYSA-N 1 0 236.363 2.068 10 0 BEAERO CC[NH2+]Cc1ccc(-n2ccnc2)c(C)c1 ZINC000050562422 170126214 /nfs/dbraw/zinc/12/62/14/170126214.db2.gz PCOXQSYFKMANCG-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1ccc(N(C)C(CC)CC)nn1 ZINC000051444967 170126592 /nfs/dbraw/zinc/12/65/92/170126592.db2.gz CKHXDLCKXYJNGB-UHFFFAOYSA-N 1 0 236.363 2.211 10 0 BEAERO CC[NH2+]Cc1ccc(N2CCC[C@@H](C)CC2)nn1 ZINC000104352146 170127236 /nfs/dbraw/zinc/12/72/36/170127236.db2.gz WCBQGVPQHJBXBS-GFCCVEGCSA-N 1 0 248.374 2.213 10 0 BEAERO CC[NH2+]Cc1ccc(N2CC[C@H](C)C2)nc1 ZINC000051448450 170127379 /nfs/dbraw/zinc/12/73/79/170127379.db2.gz BCDJDVOFULIFEO-NSHDSACASA-N 1 0 219.332 2.037 10 0 BEAERO CC[NH2+]Cc1ccccc1-n1ccnc1C ZINC000034825289 170127981 /nfs/dbraw/zinc/12/79/81/170127981.db2.gz HNUVLHJPCBCOIS-UHFFFAOYSA-N 1 0 215.300 2.290 10 0 BEAERO CC[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000085221204 170128375 /nfs/dbraw/zinc/12/83/75/170128375.db2.gz BIPBIDJWDOUAFC-UHFFFAOYSA-N 1 0 204.195 2.210 10 0 BEAERO CC[NH2+]Cc1ccnc(-c2ccsc2)n1 ZINC000054791368 170129460 /nfs/dbraw/zinc/12/94/60/170129460.db2.gz BYXMIPCAWBTBFK-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1cn2c(cccc2Cl)n1 ZINC000076792534 170129687 /nfs/dbraw/zinc/12/96/87/170129687.db2.gz SECQATFLNBMMGY-UHFFFAOYSA-N 1 0 209.680 2.097 10 0 BEAERO CC[NH2+]Cc1cnn(-c2ccccc2F)c1 ZINC000040932445 170130148 /nfs/dbraw/zinc/13/01/48/170130148.db2.gz TYACCIRXFDLXTP-UHFFFAOYSA-N 1 0 219.263 2.121 10 0 BEAERO CC[NH2+]Cc1cnc(N2CCC[C@@H](C)C2)s1 ZINC000054900623 170130627 /nfs/dbraw/zinc/13/06/27/170130627.db2.gz HEOMQVYICOLDJP-SNVBAGLBSA-N 1 0 239.388 2.489 10 0 BEAERO CC[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000053294290 170130841 /nfs/dbraw/zinc/13/08/41/170130841.db2.gz DQSNFSRULZOOJI-UHFFFAOYSA-N 1 0 219.313 2.315 10 0 BEAERO CC[NH2+]Cc1nc(C(C)C)ncc1N1CCCC1 ZINC000051399160 170131708 /nfs/dbraw/zinc/13/17/08/170131708.db2.gz LLLQDKSWAYHTFR-UHFFFAOYSA-N 1 0 248.374 2.310 10 0 BEAERO CC[NH2+]Cc1nccn1Cc1ccccc1C ZINC000051005025 170132014 /nfs/dbraw/zinc/13/20/14/170132014.db2.gz DBCUFSFHUUELIX-UHFFFAOYSA-N 1 0 229.327 2.349 10 0 BEAERO CC[NH2+]Cc1sc(COC)nc1C1CC1 ZINC000082436892 170132419 /nfs/dbraw/zinc/13/24/19/170132419.db2.gz KEUYMIUIVVOEFH-UHFFFAOYSA-N 1 0 226.345 2.276 10 0 BEAERO CC[NH2+][C@@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000061272062 170139504 /nfs/dbraw/zinc/13/95/04/170139504.db2.gz DWBYERDGLNWVNN-AVGNSLFASA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@@H](C)Cc1nc2ccccc2o1 ZINC000061213178 170140126 /nfs/dbraw/zinc/14/01/26/170140126.db2.gz NDTJHCLLZSAITK-VIFPVBQESA-N 1 0 204.273 2.368 10 0 BEAERO CC[NH2+][C@@H](C)c1ccccc1N(CC)CCO ZINC000037900291 170141832 /nfs/dbraw/zinc/14/18/32/170141832.db2.gz NFIPQJLHKVHJQN-LBPRGKRZSA-N 1 0 236.359 2.176 10 0 BEAERO CC[NH2+][C@@H](C)c1cn2cc(C)sc2n1 ZINC000076789943 170141940 /nfs/dbraw/zinc/14/19/40/170141940.db2.gz VPZSEDHEPGWXEN-QMMMGPOBSA-N 1 0 209.318 2.375 10 0 BEAERO CC[NH2+][C@@H](C)c1ccc2c(c1)oc(=O)n2CC ZINC000051363410 170142315 /nfs/dbraw/zinc/14/23/15/170142315.db2.gz ZBAUTGQGRNPVIM-VIFPVBQESA-N 1 0 234.299 2.285 10 0 BEAERO CC[NH2+][C@@H](CC(=O)OCC)Cc1ccccc1 ZINC000074485211 170142707 /nfs/dbraw/zinc/14/27/07/170142707.db2.gz LIGUXKUWUCZISI-CYBMUJFWSA-N 1 0 235.327 2.160 10 0 BEAERO CC[NH2+][C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062365956 170143231 /nfs/dbraw/zinc/14/32/31/170143231.db2.gz XZXXGMIKEHWYKE-QMMMGPOBSA-N 1 0 247.298 2.005 10 0 BEAERO CC[NH2+][C@@H](CN)c1ccc(OC(F)(F)F)cc1 ZINC000050270216 170145060 /nfs/dbraw/zinc/14/50/60/170145060.db2.gz WACXIBNWGSRJBF-JTQLQIEISA-N 1 0 248.248 2.195 10 0 BEAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H]1COCCO1 ZINC000055300109 170147204 /nfs/dbraw/zinc/14/72/04/170147204.db2.gz SYSMLQOFUFOBSH-CABCVRRESA-N 1 0 249.354 2.315 10 0 BEAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccc(OC)cc1 ZINC000035556024 170147411 /nfs/dbraw/zinc/14/74/11/170147411.db2.gz OIJNUNROLGOWKJ-AWEZNQCLSA-N 1 0 245.326 2.128 10 0 BEAERO CC[NH2+][C@@H](c1ccco1)C1CCOCC1 ZINC000061672212 170148463 /nfs/dbraw/zinc/14/84/63/170148463.db2.gz IHFJTHWUEHECDG-GFCCVEGCSA-N 1 0 209.289 2.357 10 0 BEAERO CC[NH2+][C@H](c1cccs1)c1cncnc1 ZINC000052886962 170149049 /nfs/dbraw/zinc/14/90/49/170149049.db2.gz NZYSJLVVIDRHPG-NSHDSACASA-N 1 0 219.313 2.237 10 0 BEAERO CC[NH2+][C@@H](c1nc(C)cs1)[C@H]1CCOC1 ZINC000041061046 170149385 /nfs/dbraw/zinc/14/93/85/170149385.db2.gz KYJIKLBERHWDNE-VHSXEESVSA-N 1 0 226.345 2.139 10 0 BEAERO CC[NH2+][C@H]1c2ccc(OC3CCC3)cc2NC1=O ZINC000103923975 170149586 /nfs/dbraw/zinc/14/95/86/170149586.db2.gz VVNSYRIAANGBLU-ZDUSSCGKSA-N 1 0 246.310 2.221 10 0 BEAERO CC[NH2+][C@@H]1CCCC[C@@H]1Cc1cnn(C)c1 ZINC000050540752 170150606 /nfs/dbraw/zinc/15/06/06/170150606.db2.gz KHFMCAAFEGAGCS-CHWSQXEVSA-N 1 0 221.348 2.131 10 0 BEAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1cnn(C)c1 ZINC000060717145 170151128 /nfs/dbraw/zinc/15/11/28/170151128.db2.gz NTPNFDICNXJSOC-CHWSQXEVSA-N 1 0 221.348 2.446 10 0 BEAERO CC[NH2+][C@@H]1CCN(Cc2nccs2)[C@H](C)C1 ZINC000049714075 170151361 /nfs/dbraw/zinc/15/13/61/170151361.db2.gz RSXNMRKJYIBPTA-GHMZBOCLSA-N 1 0 239.388 2.106 10 0 BEAERO CC[NH2+][C@@H]1CCC[S@@](=O)c2c(F)cccc21 ZINC000040976270 170151499 /nfs/dbraw/zinc/15/14/99/170151499.db2.gz NHCKQJDJQDTBDJ-BZNIZROVSA-N 1 0 241.331 2.378 10 0 BEAERO CC[NH2+][C@@H]1CCN(CCc2cccc(F)c2)C1 ZINC000036779616 170151644 /nfs/dbraw/zinc/15/16/44/170151644.db2.gz HAPCZDOEWUTMRQ-CQSZACIVSA-N 1 0 236.334 2.052 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@@H](C)CCc2ccco2)C1 ZINC000049568574 170151703 /nfs/dbraw/zinc/15/17/03/170151703.db2.gz JPDQVIHIVRLHHD-QWHCGFSZSA-N 1 0 236.359 2.285 10 0 BEAERO CC[NH2+][C@@H]1CCC[S@@](=O)c2ccc(F)cc21 ZINC000040974223 170152281 /nfs/dbraw/zinc/15/22/81/170152281.db2.gz KMKOGNQFSHIOJN-BZNIZROVSA-N 1 0 241.331 2.378 10 0 BEAERO CC[NH2+][C@@H]1CCN([C@H](C)CCCC(C)C)C1=O ZINC000049649117 170152730 /nfs/dbraw/zinc/15/27/30/170152730.db2.gz RBKACTIUXQNQFX-CHWSQXEVSA-N 1 0 240.391 2.412 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000049648336 170152777 /nfs/dbraw/zinc/15/27/77/170152777.db2.gz CAAMTUUCZJOLDG-LLVKDONJSA-N 1 0 238.718 2.055 10 0 BEAERO CC[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(OC)cc1 ZINC000095091497 170152784 /nfs/dbraw/zinc/15/27/84/170152784.db2.gz UBZFEJXTFFPIFM-UKRRQHHQSA-N 1 0 249.354 2.252 10 0 BEAERO CC[NH2+][C@@H]1CCN(c2cccc(F)c2F)C1 ZINC000040230843 170152815 /nfs/dbraw/zinc/15/28/15/170152815.db2.gz UFNVSBPWALENFF-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@@H]1CC[S@](=O)c2cc(F)c(F)cc21 ZINC000040976688 170154124 /nfs/dbraw/zinc/15/41/24/170154124.db2.gz ZOHIKKBCCPKWOK-QLJPJBMISA-N 1 0 245.294 2.127 10 0 BEAERO CCN[C@@](C)(C(=O)OCC)c1ccc(C)cc1 ZINC000037447189 170154925 /nfs/dbraw/zinc/15/49/25/170154925.db2.gz CCZMLCXILMPGRR-CQSZACIVSA-N 1 0 235.327 2.383 10 0 BEAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000043816134 170155245 /nfs/dbraw/zinc/15/52/45/170155245.db2.gz PQEVZUNPHAJIJC-UONOGXRCSA-N 1 0 218.344 2.214 10 0 BEAERO CC[NH2+][C@H](C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000037869639 170155714 /nfs/dbraw/zinc/15/57/14/170155714.db2.gz WPPSOSMKIRZKMA-VIFPVBQESA-N 1 0 247.125 2.129 10 0 BEAERO CC[NH2+][C@@]1(c2nccs2)CCSC1 ZINC000041060919 170156157 /nfs/dbraw/zinc/15/61/57/170156157.db2.gz GYZHOIDNNCPZKE-VIFPVBQESA-N 1 0 214.359 2.085 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)NCCC1=CCCCC1 ZINC000061269599 170157081 /nfs/dbraw/zinc/15/70/81/170157081.db2.gz BZFZNJFQDBJYRE-GFCCVEGCSA-N 1 0 238.375 2.381 10 0 BEAERO CC[NH2+][C@H](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000061269118 170157122 /nfs/dbraw/zinc/15/71/22/170157122.db2.gz UFKQGAJEAFVTCZ-MRVPVSSYSA-N 1 0 242.269 2.291 10 0 BEAERO CC[NH2+][C@H](C)c1ccc(NC(=O)NC)cc1 ZINC000041708880 170159337 /nfs/dbraw/zinc/15/93/37/170159337.db2.gz MDPLTVZONGHRNK-SECBINFHSA-N 1 0 221.304 2.108 10 0 BEAERO CC[NH2+][C@H](C)c1cnc(-c2ncccn2)s1 ZINC000054159705 170160197 /nfs/dbraw/zinc/16/01/97/170160197.db2.gz ZHKNKIDATUTYPW-MRVPVSSYSA-N 1 0 234.328 2.271 10 0 BEAERO CC[NH2+][C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000062365959 170160262 /nfs/dbraw/zinc/16/02/62/170160262.db2.gz XZXXGMIKEHWYKE-MRVPVSSYSA-N 1 0 247.298 2.005 10 0 BEAERO CC[NH2+][C@H](C)c1ccccc1N(CCO)C1CC1 ZINC000042479900 170160504 /nfs/dbraw/zinc/16/05/04/170160504.db2.gz GWKXZCPDCZGXJS-GFCCVEGCSA-N 1 0 248.370 2.318 10 0 BEAERO CC[NH2+][C@H](C)c1nc2cc(F)ccc2n1C ZINC000062366315 170160512 /nfs/dbraw/zinc/16/05/12/170160512.db2.gz BGJSSLQJESOZEB-MRVPVSSYSA-N 1 0 221.279 2.383 10 0 BEAERO CC[NH2+][C@H](CC)C(=O)c1cc(F)ccc1OC ZINC000071549342 170161100 /nfs/dbraw/zinc/16/11/00/170161100.db2.gz HYDOAYNXYKKDPS-LLVKDONJSA-N 1 0 239.290 2.405 10 0 BEAERO CC[NH2+][C@H](CC)c1nnc(-c2ccccn2)o1 ZINC000061512191 170161571 /nfs/dbraw/zinc/16/15/71/170161571.db2.gz VFEJYZVOFVWVMV-SECBINFHSA-N 1 0 232.287 2.192 10 0 BEAERO CCN[C@H](C[NH3+])c1c(OC)ccc2ccccc21 ZINC000050270313 170162091 /nfs/dbraw/zinc/16/20/91/170162091.db2.gz FOCINLRJKZHJQV-CYBMUJFWSA-N 1 0 244.338 2.458 10 0 BEAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000035555959 170162712 /nfs/dbraw/zinc/16/27/12/170162712.db2.gz VIGFGHMZUXZZGP-CQSZACIVSA-N 1 0 247.317 2.453 10 0 BEAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1C[C@@H]1C ZINC000035556738 170164134 /nfs/dbraw/zinc/16/41/34/170164134.db2.gz NFPAAYZPFUFCBH-IYYTYJHQSA-N 1 0 246.310 2.428 10 0 BEAERO CC[NH2+][C@H](c1ccncc1)c1cncc(F)c1 ZINC000049576302 170165182 /nfs/dbraw/zinc/16/51/82/170165182.db2.gz LNBROMGWRFUMMO-CYBMUJFWSA-N 1 0 231.274 2.315 10 0 BEAERO CC[NH2+][C@@H](c1ccsc1)c1cncnc1 ZINC000052887101 170165185 /nfs/dbraw/zinc/16/51/85/170165185.db2.gz MTCKGBFEYSUDRD-NSHDSACASA-N 1 0 219.313 2.237 10 0 BEAERO CC[NH2+][C@H](c1cccnc1)c1ccccn1 ZINC000037761916 170165224 /nfs/dbraw/zinc/16/52/24/170165224.db2.gz OIQZXYYGLXWXJS-CYBMUJFWSA-N 1 0 213.284 2.176 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@H]1N1CCCCC1 ZINC000043814333 170165551 /nfs/dbraw/zinc/16/55/51/170165551.db2.gz GJAQJOSYRKSZPW-QWHCGFSZSA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@H]1CCN(C2CCC(CC)CC2)C1=O ZINC000049649043 170166474 /nfs/dbraw/zinc/16/64/74/170166474.db2.gz YQABQMOAWDUDTP-BPCQOVAHSA-N 1 0 238.375 2.166 10 0 BEAERO CC[NH2+][C@H]1CCN(C2(C)CCCCC2)C1 ZINC000045046010 170166631 /nfs/dbraw/zinc/16/66/31/170166631.db2.gz UBKANEHWEZUFIB-LBPRGKRZSA-N 1 0 210.365 2.393 10 0 BEAERO CC[NH2+][C@H]1CCC[C@@H]1N1CCC(C)CC1 ZINC000043806635 170166957 /nfs/dbraw/zinc/16/69/57/170166957.db2.gz DVXOIIILVFUBOK-STQMWFEESA-N 1 0 210.365 2.249 10 0 BEAERO CC[NH2+][C@H]1CCC[C@H]1c1cncc(F)c1 ZINC000060716315 170167144 /nfs/dbraw/zinc/16/71/44/170167144.db2.gz CLNVFNOYHBWSJV-RYUDHWBXSA-N 1 0 208.280 2.466 10 0 BEAERO CC[NH2+][C@H]1CCCC[C@H]1c1cnn(C)c1 ZINC000060715601 170167247 /nfs/dbraw/zinc/16/72/47/170167247.db2.gz QFCKFWGWKQITSD-RYUDHWBXSA-N 1 0 207.321 2.056 10 0 BEAERO CC[NH2+][C@H]1CCN(c2cccc(F)c2F)C1 ZINC000040230844 170167429 /nfs/dbraw/zinc/16/74/29/170167429.db2.gz UFNVSBPWALENFF-VIFPVBQESA-N 1 0 226.270 2.153 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccncc2)[C@H](C)C1 ZINC000049712482 170167552 /nfs/dbraw/zinc/16/75/52/170167552.db2.gz BXXQYKZPLWJFAK-OCCSQVGLSA-N 1 0 233.359 2.044 10 0 BEAERO CC[NH2+][C@H]1CCN(CCc2cccnc2)[C@H](C)C1 ZINC000049712950 170167664 /nfs/dbraw/zinc/16/76/64/170167664.db2.gz GZFZELIXOQRUHR-HIFRSBDPSA-N 1 0 247.386 2.087 10 0 BEAERO CC[NH2+][C@H]1CCN(Cc2ccccc2F)C1 ZINC000037241441 170167825 /nfs/dbraw/zinc/16/78/25/170167825.db2.gz GRNYNTKQXOYEFT-LBPRGKRZSA-N 1 0 222.307 2.010 10 0 BEAERO CC[NH2+][C@H]1CCN([C@H](C)c2ccsc2)C1=O ZINC000061363817 170168270 /nfs/dbraw/zinc/16/82/70/170168270.db2.gz APZSZIYYEXWFJD-KOLCDFICSA-N 1 0 238.356 2.020 10 0 BEAERO CC[NH2+][C@H]1CCN(CCc2ccccn2)[C@H](C)C1 ZINC000049712394 170168291 /nfs/dbraw/zinc/16/82/91/170168291.db2.gz FYCDNSMGEZLRMY-HIFRSBDPSA-N 1 0 247.386 2.087 10 0 BEAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2F)C1 ZINC000037242213 170168329 /nfs/dbraw/zinc/16/83/29/170168329.db2.gz UOXDMRIJTYXIMR-NSHDSACASA-N 1 0 222.307 2.322 10 0 BEAERO CC[NH2+][C@H]1CC[S@@](=O)c2c(F)cc(F)cc21 ZINC000040977137 170168688 /nfs/dbraw/zinc/16/86/88/170168688.db2.gz XOIMWNCQKHPCIR-QFYYESIMSA-N 1 0 245.294 2.127 10 0 BEAERO CC[NH2+][C@H]1CCc2cc(OC)cc(OC)c21 ZINC000042405374 170168700 /nfs/dbraw/zinc/16/87/00/170168700.db2.gz RHOJIDVPEKIDTN-NSHDSACASA-N 1 0 221.300 2.301 10 0 BEAERO CC[NH2+][C@H]1COc2cc(Cl)ccc2C1 ZINC000206517040 170168840 /nfs/dbraw/zinc/16/88/40/170168840.db2.gz NPDVQSJVAKDLHT-SNVBAGLBSA-N 1 0 211.692 2.253 10 0 BEAERO CC[NH2+][C@H]1CCOc2cc(OC)cc(OC)c21 ZINC000036204574 170168890 /nfs/dbraw/zinc/16/88/90/170168890.db2.gz SCSCDCBETVCELE-JTQLQIEISA-N 1 0 237.299 2.137 10 0 BEAERO CC[NH2+][C@H]1CCc2c1ccc(OC)c2OC ZINC000042405326 170169035 /nfs/dbraw/zinc/16/90/35/170169035.db2.gz GIHXKDKIANUXCT-NSHDSACASA-N 1 0 221.300 2.301 10 0 BEAERO CC[NH2+][C@](C)(CO)c1ccc(C)cc1C ZINC000038120104 170170340 /nfs/dbraw/zinc/17/03/40/170170340.db2.gz LLFHDMWHVFWBND-CYBMUJFWSA-N 1 0 207.317 2.120 10 0 BEAERO CC[NH2+][C@]1(c2nc(C)cs2)CCSC1 ZINC000041061031 170170575 /nfs/dbraw/zinc/17/05/75/170170575.db2.gz JAALOOZXHDXDIB-SNVBAGLBSA-N 1 0 228.386 2.393 10 0 BEAERO CCOC(=O)CC[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000363926420 170207003 /nfs/dbraw/zinc/20/70/03/170207003.db2.gz WEDOQKLVMQSSAW-VXGBXAGGSA-N 1 0 225.332 2.204 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1cc(F)ccc1C ZINC000083367028 170208911 /nfs/dbraw/zinc/20/89/11/170208911.db2.gz YBRGZPUHQKYRLX-UHFFFAOYSA-N 1 0 239.290 2.177 10 0 BEAERO CCOC(=O)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000083375264 170209254 /nfs/dbraw/zinc/20/92/54/170209254.db2.gz BKIYXZDSMVGUQI-UHFFFAOYSA-N 1 0 246.310 2.211 10 0 BEAERO CCOC(=O)C[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000304183849 170215038 /nfs/dbraw/zinc/21/50/38/170215038.db2.gz NOYVRFVZAGKGIW-SNVBAGLBSA-N 1 0 249.301 2.307 10 0 BEAERO C[C@@H]1C[C@H]([NH2+]C/C=C\CO)CC(C)(C)C1 ZINC000657592187 411556774 /nfs/dbraw/zinc/55/67/74/411556774.db2.gz FGGPLJSCFKMCSY-JYYSYOFASA-N 1 0 211.349 2.339 10 0 BEAERO CC[C@H](C)CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000657586589 411557268 /nfs/dbraw/zinc/55/72/68/411557268.db2.gz JPYHOMNUPPXVKU-JTQLQIEISA-N 1 0 239.363 2.263 10 0 BEAERO CCOC(=O)N(CCC[NH3+])C1CCCCC1 ZINC000036731722 170238797 /nfs/dbraw/zinc/23/87/97/170238797.db2.gz SSLYBOALLIXJHE-UHFFFAOYSA-N 1 0 228.336 2.126 10 0 BEAERO CC[C@@H](C)CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000657586590 411557505 /nfs/dbraw/zinc/55/75/05/411557505.db2.gz JPYHOMNUPPXVKU-SNVBAGLBSA-N 1 0 239.363 2.263 10 0 BEAERO CCOC(=O)[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000049954620 170248531 /nfs/dbraw/zinc/24/85/31/170248531.db2.gz FOVGNNITMZKADB-VHSXEESVSA-N 1 0 237.299 2.037 10 0 BEAERO O[C@H]1CCC[C@@H](C[NH2+]C2(C3CC3)CC2)C1 ZINC000660252737 411559903 /nfs/dbraw/zinc/55/99/03/411559903.db2.gz DJCJWOZIHMXLAF-PWSUYJOCSA-N 1 0 209.333 2.070 10 0 BEAERO CCOC(=O)[C@]1(c2ccccc2)CCC[NH2+]CC1 ZINC000001624284 170286408 /nfs/dbraw/zinc/28/64/08/170286408.db2.gz VUAIRCAKYUJYJY-OAHLLOKOSA-N 1 0 247.338 2.261 10 0 BEAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cnn1C ZINC000657655269 411570984 /nfs/dbraw/zinc/57/09/84/411570984.db2.gz CKLUEUMYPNSELW-DYEKYZERSA-N 1 0 233.359 2.254 10 0 BEAERO CCOC(C[C@H]1CCCCC[NH2+]1)OCC ZINC000256016624 170315797 /nfs/dbraw/zinc/31/57/97/170315797.db2.gz ZTYGROBMPCQUFJ-LLVKDONJSA-N 1 0 215.337 2.308 10 0 BEAERO CCOCCCC[NH2+]CCN1CCCCCC1 ZINC000053343845 170369941 /nfs/dbraw/zinc/36/99/41/170369941.db2.gz FLDHDJZPDKCKIM-UHFFFAOYSA-N 1 0 242.407 2.269 10 0 BEAERO CCOCC[N@H+](CC)[C@@]1(CN)CCCC[C@@H]1C ZINC000104194294 170395571 /nfs/dbraw/zinc/39/55/71/170395571.db2.gz UKIZJXKOKXJQNO-UONOGXRCSA-N 1 0 242.407 2.252 10 0 BEAERO CCOCCN(CC)c1ccccc1CC[NH3+] ZINC000104256240 170396156 /nfs/dbraw/zinc/39/61/56/170396156.db2.gz YUWFHQHSRJQWFJ-UHFFFAOYSA-N 1 0 236.359 2.051 10 0 BEAERO CCOCCOc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629191 170422803 /nfs/dbraw/zinc/42/28/03/170422803.db2.gz QPHULQMBSJRQDB-LLVKDONJSA-N 1 0 223.316 2.430 10 0 BEAERO C[C@@H]([NH2+]CC(O)(C1CC1)C1CC1)[C@H]1C[C@H]1C ZINC000657699703 411582527 /nfs/dbraw/zinc/58/25/27/411582527.db2.gz NYPZXDUBNHYSQH-BREBYQMCSA-N 1 0 223.360 2.172 10 0 BEAERO OCC1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000657808368 411601259 /nfs/dbraw/zinc/60/12/59/411601259.db2.gz GZEKLOWDQYJUFR-UHFFFAOYSA-N 1 0 225.719 2.201 10 0 BEAERO OCC1CC([NH2+]Cc2cccc3cnccc32)C1 ZINC000657810314 411602455 /nfs/dbraw/zinc/60/24/55/411602455.db2.gz AKDYBXZJTINSTJ-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO OCC1CC([NH2+]Cc2coc3ccccc23)C1 ZINC000657813319 411603458 /nfs/dbraw/zinc/60/34/58/411603458.db2.gz TURWAUPODPBIIW-UHFFFAOYSA-N 1 0 231.295 2.293 10 0 BEAERO OCC1CC([NH2+]CC2CCCCCC2)C1 ZINC000657813363 411603523 /nfs/dbraw/zinc/60/35/23/411603523.db2.gz UTWUZEJLNQNVHA-UHFFFAOYSA-N 1 0 211.349 2.317 10 0 BEAERO OCC1CC([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000657812327 411603533 /nfs/dbraw/zinc/60/35/33/411603533.db2.gz HZYAVFLCVCOVKZ-UHFFFAOYSA-N 1 0 243.709 2.340 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657844270 411610411 /nfs/dbraw/zinc/61/04/11/411610411.db2.gz IDUSLHCGYWAITM-QWHCGFSZSA-N 1 0 242.432 2.346 10 0 BEAERO CCO[C@@H](C[NH2+]C)c1ccc(OC)c(F)c1 ZINC000062711587 170477969 /nfs/dbraw/zinc/47/79/69/170477969.db2.gz JNGKDMTVSHOYDI-LBPRGKRZSA-N 1 0 227.279 2.131 10 0 BEAERO CCO[C@@H](C[NH3+])CN(C)c1ccc(C)cc1C ZINC000062739874 170478161 /nfs/dbraw/zinc/47/81/61/170478161.db2.gz KXNYSFDAGZPTSG-ZDUSSCGKSA-N 1 0 236.359 2.103 10 0 BEAERO CCO[C@H](C[NH3+])Cn1ccc2ccc(C)cc21 ZINC000062740071 170503248 /nfs/dbraw/zinc/50/32/48/170503248.db2.gz OPGBMVWCDNVGMK-CYBMUJFWSA-N 1 0 232.327 2.314 10 0 BEAERO CC(C)c1nccnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000663425277 411657273 /nfs/dbraw/zinc/65/72/73/411657273.db2.gz ONYFZEDUWTVGSW-NSHDSACASA-N 1 0 246.358 2.249 10 0 BEAERO CCOc1cc(C[NH2+][C@H]2C[C@@H]2C)ccc1O ZINC000052271623 170522047 /nfs/dbraw/zinc/52/20/47/170522047.db2.gz GCUHXAWMEOTBRL-ONGXEEELSA-N 1 0 221.300 2.289 10 0 BEAERO CCOc1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000049833799 170531694 /nfs/dbraw/zinc/53/16/94/170531694.db2.gz IRXCHTGWHOOVFG-UHFFFAOYSA-N 1 0 245.326 2.298 10 0 BEAERO O[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CCCC[C@@H]32)C1 ZINC000660934331 411684660 /nfs/dbraw/zinc/68/46/60/411684660.db2.gz PVBHUXFAJGSELR-FQUUOJAGSA-N 1 0 223.360 2.412 10 0 BEAERO CCOc1ccc(O[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000019257611 170556996 /nfs/dbraw/zinc/55/69/96/170556996.db2.gz GNEGVDMUMWOXCN-CHWSQXEVSA-N 1 0 221.300 2.344 10 0 BEAERO CCOc1cccc(NC(=O)[C@](C)([NH3+])C2CC2)c1 ZINC000037768515 170581533 /nfs/dbraw/zinc/58/15/33/170581533.db2.gz KIXTZUVQYLVTMF-CQSZACIVSA-N 1 0 248.326 2.151 10 0 BEAERO CCOc1ccccc1C[C@H]1CC[NH2+]C1 ZINC000070627809 170593564 /nfs/dbraw/zinc/59/35/64/170593564.db2.gz MPDNWMPWCHHNCR-LLVKDONJSA-N 1 0 205.301 2.237 10 0 BEAERO [NH3+][C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000132068752 411754265 /nfs/dbraw/zinc/75/42/65/411754265.db2.gz HCSKPKAWHAXRBA-LBPRGKRZSA-N 1 0 227.311 2.162 10 0 BEAERO CC[C@@H](C)C(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000019843702 170676773 /nfs/dbraw/zinc/67/67/73/170676773.db2.gz LFDVOLDBHGIVSY-VXGBXAGGSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@H](C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000304325790 170686402 /nfs/dbraw/zinc/68/64/02/170686402.db2.gz SWPJJVLPAXZZEU-MNOVXSKESA-N 1 0 226.364 2.008 10 0 BEAERO CC[C@@H](C)C[NH2+]C[C@@H]1CNc2ccccc2O1 ZINC000054475647 170706816 /nfs/dbraw/zinc/70/68/16/170706816.db2.gz HJNALOMCCIQJOS-VXGBXAGGSA-N 1 0 234.343 2.495 10 0 BEAERO CC[C@@H](C)[NH2+]CC(=O)N1CCC(C)(C)CC1 ZINC000061821096 170751034 /nfs/dbraw/zinc/75/10/34/170751034.db2.gz MNOUJUGQYKSWGG-LLVKDONJSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)c1ccc(C)cc1 ZINC000163550897 170776551 /nfs/dbraw/zinc/77/65/51/170776551.db2.gz MXSHBXZMCKTGRX-DGCLKSJQSA-N 1 0 234.343 2.331 10 0 BEAERO CC[C@@H](CC[NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000076616415 170815682 /nfs/dbraw/zinc/81/56/82/170815682.db2.gz LKMCUWCDJKIVMC-RYUDHWBXSA-N 1 0 234.343 2.239 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](O)c1c(C)cc(C)cc1C ZINC000036779177 170866987 /nfs/dbraw/zinc/86/69/87/170866987.db2.gz ISJRURNCXLQADV-DGCLKSJQSA-N 1 0 207.317 2.383 10 0 BEAERO CC[C@@H]([NH3+])[C@@H](C)Oc1ccc(CCOC)cc1 ZINC000037429201 170867352 /nfs/dbraw/zinc/86/73/52/170867352.db2.gz CSEITCLFHJYSBS-BXUZGUMPSA-N 1 0 237.343 2.380 10 0 BEAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000042912626 170868984 /nfs/dbraw/zinc/86/89/84/170868984.db2.gz MSQMNUIONQQIIV-CABCVRRESA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]([NH3+])[C@H](c1cccs1)n1cccn1 ZINC000043106953 170869008 /nfs/dbraw/zinc/86/90/08/170869008.db2.gz JTTFQHWJIYAJMZ-MWLCHTKSSA-N 1 0 221.329 2.271 10 0 BEAERO CC[C@@H]([NH3+])c1cccc(-c2cnn(C)c2)c1 ZINC000038073078 170870565 /nfs/dbraw/zinc/87/05/65/170870565.db2.gz ZNVDOTZFASDCNL-CYBMUJFWSA-N 1 0 215.300 2.497 10 0 BEAERO CC[C@@H](O)COc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799165 170937322 /nfs/dbraw/zinc/93/73/22/170937322.db2.gz TZBKVGKWKBDKLN-MFKMUULPSA-N 1 0 235.327 2.043 10 0 BEAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000251613413 170973788 /nfs/dbraw/zinc/97/37/88/170973788.db2.gz DRLQIJABHVXHSQ-FRRDWIJNSA-N 1 0 238.375 2.153 10 0 BEAERO CC[C@@H]1CCN(Cc2cccnc2)C[C@H](C)C[NH2+]1 ZINC000049666576 171011225 /nfs/dbraw/zinc/01/12/25/171011225.db2.gz TYFSFNWGPGIEOI-UKRRQHHQSA-N 1 0 247.386 2.292 10 0 BEAERO CC[C@@H]1CCN(Cc2ccco2)CCC[NH2+]1 ZINC000049664320 171011647 /nfs/dbraw/zinc/01/16/47/171011647.db2.gz ZEDIZWDOLZGSOX-GFCCVEGCSA-N 1 0 222.332 2.244 10 0 BEAERO CC[C@@H]1CCN(Cc2ccco2)C[C@H](C)C[NH2+]1 ZINC000049664331 171012544 /nfs/dbraw/zinc/01/25/44/171012544.db2.gz GBJSRNCSRQWZNS-CHWSQXEVSA-N 1 0 236.359 2.490 10 0 BEAERO CC[C@@H]1CCN([C@@H](C)c2ccncc2)CC[NH2+]1 ZINC000049662178 171014264 /nfs/dbraw/zinc/01/42/64/171014264.db2.gz OJZVCDQETFVOBJ-GXTWGEPZSA-N 1 0 233.359 2.217 10 0 BEAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000336680687 171045906 /nfs/dbraw/zinc/04/59/06/171045906.db2.gz CWCNAWPSOTUFDZ-CRWXNKLISA-N 1 0 224.392 2.493 10 0 BEAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)Cc2cccnc2)C1 ZINC000036771133 171055744 /nfs/dbraw/zinc/05/57/44/171055744.db2.gz LINPFSARUGSFPY-VHDGCEQUSA-N 1 0 247.386 2.419 10 0 BEAERO CC(C)CCO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000665027611 412060970 /nfs/dbraw/zinc/06/09/70/412060970.db2.gz URRSYOASVLCYPJ-MGPQQGTHSA-N 1 0 241.375 2.037 10 0 BEAERO CC[C@@H]1CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000083363914 171085260 /nfs/dbraw/zinc/08/52/60/171085260.db2.gz PRKLMAIRSFKBDP-CQSZACIVSA-N 1 0 236.334 2.052 10 0 BEAERO CC[C@@H]1CN(C[C@H]([NH3+])c2ccc(C)cc2)CCO1 ZINC000036769724 171085468 /nfs/dbraw/zinc/08/54/68/171085468.db2.gz QIMBQSRBPXYSEK-CABCVRRESA-N 1 0 248.370 2.106 10 0 BEAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccccc1OC ZINC000083379403 171103210 /nfs/dbraw/zinc/10/32/10/171103210.db2.gz ONWRZZFRSJYNCX-TZMCWYRMSA-N 1 0 248.370 2.268 10 0 BEAERO CC[C@@H]1[C@H]([NH3+])CCCN1Cc1ccccc1 ZINC000082374890 171162650 /nfs/dbraw/zinc/16/26/50/171162650.db2.gz QYIOHZIVSUBXIY-ZIAGYGMSSA-N 1 0 218.344 2.388 10 0 BEAERO CC[C@@](C)(O)C[NH+]1CCC2(CCOCC2)CC1 ZINC000336316917 171177450 /nfs/dbraw/zinc/17/74/50/171177450.db2.gz GUMFUHMPQMLFDC-CYBMUJFWSA-N 1 0 241.375 2.040 10 0 BEAERO CC[C@@](C)(O)C[N@H+](C)CCc1cccs1 ZINC000119426765 171178327 /nfs/dbraw/zinc/17/83/27/171178327.db2.gz ZKLLUFHXPHKHDU-GFCCVEGCSA-N 1 0 227.373 2.383 10 0 BEAERO CC[C@@](O)(C[NH2+]C)c1cccc(Cl)c1 ZINC000055032670 171194159 /nfs/dbraw/zinc/19/41/59/171194159.db2.gz GIRQGWGZLCKZDX-LLVKDONJSA-N 1 0 213.708 2.157 10 0 BEAERO CC[C@@](O)(C[NH2+]C1CC1)c1ccc(OC)cc1 ZINC000033465521 171194717 /nfs/dbraw/zinc/19/47/17/171194717.db2.gz RGYDQUYGFVLSLK-CQSZACIVSA-N 1 0 235.327 2.045 10 0 BEAERO CC[C@@](O)(C[NH2+]C1CC1)c1ccccc1 ZINC000032010543 171194975 /nfs/dbraw/zinc/19/49/75/171194975.db2.gz LRWDAGBCXWDCNN-CYBMUJFWSA-N 1 0 205.301 2.036 10 0 BEAERO CC[C@@]1(C)C[NH2+]CCN1Cc1ccccc1 ZINC000075835661 171203937 /nfs/dbraw/zinc/20/39/37/171203937.db2.gz ZBIBYGCMOXBLTA-AWEZNQCLSA-N 1 0 218.344 2.261 10 0 BEAERO CC[C@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121079092 171247543 /nfs/dbraw/zinc/24/75/43/171247543.db2.gz KAXPJCFQVDIQJX-LBPRGKRZSA-N 1 0 238.375 2.119 10 0 BEAERO CC[C@H](C)C(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037915921 171247958 /nfs/dbraw/zinc/24/79/58/171247958.db2.gz CDDXCSLAZOEWQD-WCQYABFASA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H](C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916948 171248403 /nfs/dbraw/zinc/24/84/03/171248403.db2.gz KLCLDPOJUMLTIL-AVGNSLFASA-N 1 0 238.375 2.023 10 0 BEAERO CC[C@H](C)CN(C)C(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055126640 171271986 /nfs/dbraw/zinc/27/19/86/171271986.db2.gz WDIFWXVMEUUQNL-QNWHQSFQSA-N 1 0 240.391 2.254 10 0 BEAERO CC[C@H](C)C[N@H+](C)CC(=O)NC(C)(C)CC ZINC000111254336 171272466 /nfs/dbraw/zinc/27/24/66/171272466.db2.gz MCODWIZXEDMVLH-NSHDSACASA-N 1 0 228.380 2.269 10 0 BEAERO CC[C@H](C)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000120383835 171279607 /nfs/dbraw/zinc/27/96/07/171279607.db2.gz SBVYXSRCWFYWSB-ZDUSSCGKSA-N 1 0 248.374 2.035 10 0 BEAERO CC[C@H](C)N(Cc1ccccc1C)C(=O)CC[NH3+] ZINC000032103962 171316601 /nfs/dbraw/zinc/31/66/01/171316601.db2.gz NTSQBMXDONGHMW-ZDUSSCGKSA-N 1 0 248.370 2.471 10 0 BEAERO CC[C@H](C)NC(=O)CC[NH2+]CCc1ccccc1 ZINC000037997180 171322731 /nfs/dbraw/zinc/32/27/31/171322731.db2.gz AERXNOIVWGRAFT-ZDUSSCGKSA-N 1 0 248.370 2.124 10 0 BEAERO CC[C@H](C)NC(=O)C[NH2+]CC1CCC(C)CC1 ZINC000063145450 171326353 /nfs/dbraw/zinc/32/63/53/171326353.db2.gz KBMYXXAFCUSKPY-CPCZMJQVSA-N 1 0 240.391 2.317 10 0 BEAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1ccccc1 ZINC000076616399 171335392 /nfs/dbraw/zinc/33/53/92/171335392.db2.gz UDVNAHMAKAEISW-WCQYABFASA-N 1 0 234.343 2.034 10 0 BEAERO CC[C@H](C)[NH2+]CC(=O)c1ccc2c(c1)OCCO2 ZINC000041612654 171340093 /nfs/dbraw/zinc/34/00/93/171340093.db2.gz IICJMUSKGAYXNN-JTQLQIEISA-N 1 0 249.310 2.029 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H](C)N(C)Cc1ccccn1 ZINC000053491321 171341369 /nfs/dbraw/zinc/34/13/69/171341369.db2.gz ZMYXIHMSWGYDAO-QWHCGFSZSA-N 1 0 235.375 2.290 10 0 BEAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(OC)c(C)c1 ZINC000049828892 171341382 /nfs/dbraw/zinc/34/13/82/171341382.db2.gz JMLIZXKEPXBWKC-WCQYABFASA-N 1 0 237.343 2.425 10 0 BEAERO CC[C@H](C)[NH2+]Cc1nc(-c2ccncc2)no1 ZINC000037605520 171343834 /nfs/dbraw/zinc/34/38/34/171343834.db2.gz XYBZTYIKUDXIFF-VIFPVBQESA-N 1 0 232.287 2.020 10 0 BEAERO CC[C@H](C)[NH2+]Cc1nc(-c2ccncc2)c[nH]1 ZINC000037617960 171344156 /nfs/dbraw/zinc/34/41/56/171344156.db2.gz WMEYNVLQLJBGNO-JTQLQIEISA-N 1 0 230.315 2.360 10 0 BEAERO CC[C@H](C)[NH2+][C@@](CC)(C(N)=O)c1ccc(C)cc1 ZINC000038065579 171347052 /nfs/dbraw/zinc/34/70/52/171347052.db2.gz CLLRXHGWFVJMTI-SWLSCSKDSA-N 1 0 248.370 2.474 10 0 BEAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCCc2ccccc21 ZINC000038065027 171347073 /nfs/dbraw/zinc/34/70/73/171347073.db2.gz GIXRPNDMHWECLK-NHYWBVRUSA-N 1 0 246.354 2.092 10 0 BEAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000038064819 171349823 /nfs/dbraw/zinc/34/98/23/171349823.db2.gz WVHCMCITTDEJRQ-UHIISALHSA-N 1 0 240.391 2.445 10 0 BEAERO CC[C@H](C)Oc1cc2c(cc1C[NH3+])OCO2 ZINC000042873601 171356543 /nfs/dbraw/zinc/35/65/43/171356543.db2.gz OYJBWIUVQDBNRI-QMMMGPOBSA-N 1 0 223.272 2.051 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000360014117 171367996 /nfs/dbraw/zinc/36/79/96/171367996.db2.gz ILBKASAITFPKFN-TUAOUCFPSA-N 1 0 221.348 2.222 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000042868199 171371355 /nfs/dbraw/zinc/37/13/55/171371355.db2.gz WIAJHUUKKRBRNA-ZDEQEGDKSA-N 1 0 240.391 2.302 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)o1 ZINC000252392376 171371381 /nfs/dbraw/zinc/37/13/81/171371381.db2.gz UYSUOJLEXCPYQR-MKPLZMMCSA-N 1 0 238.331 2.139 10 0 BEAERO CC[C@H](C)[C@@H]([NH3+])c1noc(C(C)(C)C)n1 ZINC000041050416 171372640 /nfs/dbraw/zinc/37/26/40/171372640.db2.gz HPGVFPOMQKQMIV-JGVFFNPUSA-N 1 0 211.309 2.413 10 0 BEAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000122694206 171390376 /nfs/dbraw/zinc/39/03/76/171390376.db2.gz QDGXPFUEQZJIPY-GARJFASQSA-N 1 0 222.336 2.137 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000042494728 171393582 /nfs/dbraw/zinc/39/35/82/171393582.db2.gz IXXRPJONFAAAKV-XQHKEYJVSA-N 1 0 240.391 2.397 10 0 BEAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccnc1Cl ZINC000037019982 171396803 /nfs/dbraw/zinc/39/68/03/171396803.db2.gz QGGVJWOCNMYFGS-CBAPKCEASA-N 1 0 241.722 2.047 10 0 BEAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000662378490 412132000 /nfs/dbraw/zinc/13/20/00/412132000.db2.gz VSWICVKSDFDMSA-TZMCWYRMSA-N 1 0 248.370 2.479 10 0 BEAERO CC[C@H]([NH3+])[C@H](n1nc(C)nc1C)C(C)(C)C ZINC000043295062 171489926 /nfs/dbraw/zinc/48/99/26/171489926.db2.gz QDGSJWKLZGPBSW-QWRGUYRKSA-N 1 0 224.352 2.219 10 0 BEAERO CC[C@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000036949829 171490987 /nfs/dbraw/zinc/49/09/87/171490987.db2.gz DWTHNTPQGOWLCU-NSHDSACASA-N 1 0 218.300 2.371 10 0 BEAERO CC(C)(C)[N@@H+]1CCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616620832 412201052 /nfs/dbraw/zinc/20/10/52/412201052.db2.gz OBIXZIQFDKYUAO-SNVBAGLBSA-N 1 0 222.336 2.085 10 0 BEAERO CC[C@H]([NH2+]CCOC)c1ccc(O)cc1 ZINC000019881479 171521969 /nfs/dbraw/zinc/52/19/69/171521969.db2.gz VQSRLWAVSBLGJB-LBPRGKRZSA-N 1 0 209.289 2.079 10 0 BEAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)[C@@H]1CCOC1 ZINC000310288821 171540464 /nfs/dbraw/zinc/54/04/64/171540464.db2.gz IBGBMMDGIVYJMS-XJFOESAGSA-N 1 0 241.375 2.085 10 0 BEAERO CC[C@](C)([NH3+])c1ccc(OC)c(OC)c1 ZINC000055196874 171696370 /nfs/dbraw/zinc/69/63/70/171696370.db2.gz MIZTVSUULTVQAH-LBPRGKRZSA-N 1 0 209.289 2.288 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H](Nc2cc[nH]n2)CC1 ZINC000616600341 412295757 /nfs/dbraw/zinc/29/57/57/412295757.db2.gz CIVDLUQXKOFFPO-LLVKDONJSA-N 1 0 222.336 2.085 10 0 BEAERO CC(C)[C@H]([NH3+])CCNc1cnc2ccccc2n1 ZINC000663275660 412405245 /nfs/dbraw/zinc/40/52/45/412405245.db2.gz BBCUTLDXBWTNBN-LLVKDONJSA-N 1 0 244.342 2.415 10 0 BEAERO CCc1ccc(C[C@H](C[NH3+])COC)cc1 ZINC000011975716 171815213 /nfs/dbraw/zinc/81/52/13/171815213.db2.gz PMLYVRHZJPYDGZ-CYBMUJFWSA-N 1 0 207.317 2.013 10 0 BEAERO CCc1ccc([C@@H](C[NH3+])CCC(=O)N(C)C)cc1 ZINC000076634666 171832842 /nfs/dbraw/zinc/83/28/42/171832842.db2.gz FEDNCKOLHHNMIX-CQSZACIVSA-N 1 0 248.370 2.160 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCC1CCCC1 ZINC000225809702 487623631 /nfs/dbraw/zinc/62/36/31/487623631.db2.gz KYTFRDAYVCGZMH-ZDUSSCGKSA-N 1 0 240.391 2.446 10 0 BEAERO CCc1csc(N2CC[C@H](C)C[C@@H]2C[NH3+])n1 ZINC000234193248 171931517 /nfs/dbraw/zinc/93/15/17/171931517.db2.gz XIVUCHBAEZYOTJ-GXSJLCMTSA-N 1 0 239.388 2.269 10 0 BEAERO CCc1nc(CC[NH2+][C@@H](CC)C(C)C)no1 ZINC000129292139 171969920 /nfs/dbraw/zinc/96/99/20/171969920.db2.gz YDSDJGOPNQFMQW-JTQLQIEISA-N 1 0 225.336 2.199 10 0 BEAERO CCc1nc(N2CCC[C@@H]2C)sc1C[NH2+]C ZINC000054968918 171997915 /nfs/dbraw/zinc/99/79/15/171997915.db2.gz KRNWIEODZQCFRT-VIFPVBQESA-N 1 0 239.388 2.414 10 0 BEAERO CCc1nc([C@@H]([NH3+])C2CCCCC2)no1 ZINC000036762711 172002645 /nfs/dbraw/zinc/00/26/45/172002645.db2.gz MYTNFLDWINOMGH-JTQLQIEISA-N 1 0 209.293 2.212 10 0 BEAERO CCc1nc([C@H]2CCCO2)sc1C[NH3+] ZINC000082423965 172008564 /nfs/dbraw/zinc/00/85/64/172008564.db2.gz MROUGMQSJTVRMC-MRVPVSSYSA-N 1 0 212.318 2.016 10 0 BEAERO CCc1nc2cc(C[NH3+])ccc2n1C1CC1 ZINC000062213985 172011083 /nfs/dbraw/zinc/01/10/83/172011083.db2.gz QKSXBVAUFLEQSR-UHFFFAOYSA-N 1 0 215.300 2.392 10 0 BEAERO CCc1nc2cccc(CCC[NH3+])c2o1 ZINC000039100952 172013247 /nfs/dbraw/zinc/01/32/47/172013247.db2.gz RRKCUKHFONTOCI-UHFFFAOYSA-N 1 0 204.273 2.282 10 0 BEAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)CC ZINC000122880479 172013316 /nfs/dbraw/zinc/01/33/16/172013316.db2.gz NNYSYVRAYYCBMC-ZJUUUORDSA-N 1 0 222.336 2.064 10 0 BEAERO CCc1nccn1Cc1ccc(C[NH2+]C)cc1 ZINC000052593133 172026887 /nfs/dbraw/zinc/02/68/87/172026887.db2.gz QLUBKPDGDYEAFQ-UHFFFAOYSA-N 1 0 229.327 2.213 10 0 BEAERO CCc1nccn1Cc1ccccc1C[NH2+]C ZINC000052593215 172027167 /nfs/dbraw/zinc/02/71/67/172027167.db2.gz DQLWAWWGJBIBKD-UHFFFAOYSA-N 1 0 229.327 2.213 10 0 BEAERO CCc1nccn1[C@H]1CCCCC[C@H]1[NH3+] ZINC000042419732 172029470 /nfs/dbraw/zinc/02/94/70/172029470.db2.gz WCRCZJINVLDLRI-MNOVXSKESA-N 1 0 207.321 2.278 10 0 BEAERO CCc1nccn1[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902896 172030012 /nfs/dbraw/zinc/03/00/12/172030012.db2.gz RJHZDVUOYQXAOI-RISCZKNCSA-N 1 0 229.327 2.382 10 0 BEAERO CCn1c2ccc([C@@H]([NH3+])C3CCC3)cc2oc1=O ZINC000051363219 172133516 /nfs/dbraw/zinc/13/35/16/172133516.db2.gz JMYVESMQYVRVEV-ZDUSSCGKSA-N 1 0 246.310 2.414 10 0 BEAERO CCn1c2cccc(F)c2nc1C(C)(C)[NH3+] ZINC000040911289 172134782 /nfs/dbraw/zinc/13/47/82/172134782.db2.gz CJNFBLUFWOXCPI-UHFFFAOYSA-N 1 0 221.279 2.389 10 0 BEAERO CCn1c(C)nnc1[C@H]([NH3+])C1CCCCC1 ZINC000042029833 172141931 /nfs/dbraw/zinc/14/19/31/172141931.db2.gz NRQCUTZHGYCZFU-LLVKDONJSA-N 1 0 222.336 2.187 10 0 BEAERO CCn1c(C[NH2+]CC2CC2)nc(C)c1C ZINC000045205787 172144770 /nfs/dbraw/zinc/14/47/70/172144770.db2.gz PKZZHJKIYIHHHD-UHFFFAOYSA-N 1 0 207.321 2.019 10 0 BEAERO CCn1c2ccccc2nc1[C@@H](C)C[NH3+] ZINC000054334255 172146976 /nfs/dbraw/zinc/14/69/76/172146976.db2.gz MRGATPNVMMHQFW-VIFPVBQESA-N 1 0 203.289 2.118 10 0 BEAERO CCn1cc(CC(C)(C)C[NH2+]C(C)C)cn1 ZINC000054638227 172158560 /nfs/dbraw/zinc/15/85/60/172158560.db2.gz HTBSROBYMBFZFU-UHFFFAOYSA-N 1 0 223.364 2.470 10 0 BEAERO CCn1cc(C[NH2+]C[C@@H](C)O)c2ccccc21 ZINC000040743883 172170853 /nfs/dbraw/zinc/17/08/53/172170853.db2.gz VYMKXHOFSQVHBI-LLVKDONJSA-N 1 0 232.327 2.132 10 0 BEAERO CCn1cc([C@H]([NH3+])c2ccccc2C)cn1 ZINC000043469264 172198744 /nfs/dbraw/zinc/19/87/44/172198744.db2.gz YIRZFQZPEVMYNS-ZDUSSCGKSA-N 1 0 215.300 2.260 10 0 BEAERO CCn1cc([C@H]([NH3+])Cc2cccs2)cn1 ZINC000052900428 172199306 /nfs/dbraw/zinc/19/93/06/172199306.db2.gz BVPIOOGRRXCOBC-LLVKDONJSA-N 1 0 221.329 2.207 10 0 BEAERO CCn1cccc1C[NH2+]CCCOC(C)C ZINC000085608549 172207933 /nfs/dbraw/zinc/20/79/33/172207933.db2.gz JWWIVRDLJHTROW-UHFFFAOYSA-N 1 0 224.348 2.413 10 0 BEAERO CCn1cccc1CNCCC[N@H+](C)C(C)C ZINC000226340179 172208067 /nfs/dbraw/zinc/20/80/67/172208067.db2.gz FDEKFMZHVNMAHL-UHFFFAOYSA-N 1 0 237.391 2.328 10 0 BEAERO CCn1cccc1C[NH2+]Cc1ccoc1 ZINC000130641002 172208124 /nfs/dbraw/zinc/20/81/24/172208124.db2.gz GPRKWXURBDNXBY-UHFFFAOYSA-N 1 0 204.273 2.391 10 0 BEAERO CCn1cccc1C[NH2+][C@H](C)CCOC ZINC000085609884 172209078 /nfs/dbraw/zinc/20/90/78/172209078.db2.gz WCPRVFARILTZMM-LLVKDONJSA-N 1 0 210.321 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000234194106 172209138 /nfs/dbraw/zinc/20/91/38/172209138.db2.gz OANXCXCYHHZDRG-RYUDHWBXSA-N 1 0 222.332 2.165 10 0 BEAERO CCn1cccc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000158505208 172209222 /nfs/dbraw/zinc/20/92/22/172209222.db2.gz UPKQVHGJUHCALO-VXGBXAGGSA-N 1 0 222.332 2.023 10 0 BEAERO CCn1cccc1C[NH2+][C@@](C)(CC)CCO ZINC000228647311 172209413 /nfs/dbraw/zinc/20/94/13/172209413.db2.gz LNEKMVRARYQYSI-ZDUSSCGKSA-N 1 0 224.348 2.149 10 0 BEAERO CCn1cccc1C[NH2+][C@@H](CO)CC(C)C ZINC000085609098 172209470 /nfs/dbraw/zinc/20/94/70/172209470.db2.gz AKWPFUFDRCZYEV-GFCCVEGCSA-N 1 0 224.348 2.005 10 0 BEAERO CCn1ccnc1COc1ccc(C[NH2+]C)cc1 ZINC000054743472 172226022 /nfs/dbraw/zinc/22/60/22/172226022.db2.gz BMVAIZBYVNNZPC-UHFFFAOYSA-N 1 0 245.326 2.201 10 0 BEAERO CCn1cc[nH+]c1NCCCCCC(=O)OC ZINC000050614541 172227574 /nfs/dbraw/zinc/22/75/74/172227574.db2.gz WVQDMBLMGUFGGE-UHFFFAOYSA-N 1 0 239.319 2.048 10 0 BEAERO CCn1cc[nH+]c1NCc1ccc(C)o1 ZINC000053039121 172227790 /nfs/dbraw/zinc/22/77/90/172227790.db2.gz YKKBWFLYHAZDCH-UHFFFAOYSA-N 1 0 205.261 2.417 10 0 BEAERO CCn1ccnc1[C@@H]([NH3+])c1ccc(C)cc1 ZINC000011735133 172229291 /nfs/dbraw/zinc/22/92/91/172229291.db2.gz MGAZWTUWPUZISL-LBPRGKRZSA-N 1 0 215.300 2.260 10 0 BEAERO CN(C(=O)CCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037540996 172302829 /nfs/dbraw/zinc/30/28/29/172302829.db2.gz ZQWXZBTWEUEOOG-CYBMUJFWSA-N 1 0 238.375 2.167 10 0 BEAERO CN(C(=O)[C@@H]1CC[NH2+]C1)C1CCCCCCC1 ZINC000237060824 172329177 /nfs/dbraw/zinc/32/91/77/172329177.db2.gz NJEXLPSUFUVWHC-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO CN(C(=O)[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000040457825 172331426 /nfs/dbraw/zinc/33/14/26/172331426.db2.gz HANTVCRKMCNYOL-CQSZACIVSA-N 1 0 240.306 2.349 10 0 BEAERO CN(C(=O)c1ccc(C[NH3+])o1)c1ccccc1 ZINC000011628081 172340325 /nfs/dbraw/zinc/34/03/25/172340325.db2.gz ZRARWMHPUATDFV-UHFFFAOYSA-N 1 0 230.267 2.015 10 0 BEAERO CN(C)C(=O)c1ccc(C[N@@H+]2CCCC2(C)C)[nH]1 ZINC000127264184 172389744 /nfs/dbraw/zinc/38/97/44/172389744.db2.gz YDNKXXRZUARIKQ-UHFFFAOYSA-N 1 0 249.358 2.091 10 0 BEAERO CN(C)[C@H](C[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000309034184 172535036 /nfs/dbraw/zinc/53/50/36/172535036.db2.gz HBEKXRABYDSUKS-VXGBXAGGSA-N 1 0 210.365 2.105 10 0 BEAERO CN(C)c1cccc(OCC[NH2+]CC2CC2)c1 ZINC000041264375 172568119 /nfs/dbraw/zinc/56/81/19/172568119.db2.gz QHXZOXPZBKBLMH-UHFFFAOYSA-N 1 0 234.343 2.131 10 0 BEAERO CN(CC(C)(C)C)c1ncc(C[NH3+])s1 ZINC000054898070 172624857 /nfs/dbraw/zinc/62/48/57/172624857.db2.gz VLIHGHNWONSOFD-UHFFFAOYSA-N 1 0 213.350 2.084 10 0 BEAERO CN(Cc1cccc(C[NH3+])c1)c1nccs1 ZINC000037674009 172861663 /nfs/dbraw/zinc/86/16/63/172861663.db2.gz RSMQKWXIJMUDNZ-UHFFFAOYSA-N 1 0 233.340 2.238 10 0 BEAERO CN(c1nc(CC[NH3+])cs1)c1ccccc1 ZINC000020185416 172950400 /nfs/dbraw/zinc/95/04/00/172950400.db2.gz MLIPSCSTQBQOFL-UHFFFAOYSA-N 1 0 233.340 2.412 10 0 BEAERO CN1CCCC[C@@H]1C[NH2+]C1(C)CCCC1 ZINC000054243538 173004329 /nfs/dbraw/zinc/00/43/29/173004329.db2.gz DRYVGYFVXJNDMZ-GFCCVEGCSA-N 1 0 210.365 2.393 10 0 BEAERO C[N@@H+]1CCCC[C@H]1CNc1ccccc1N ZINC000044563722 173009261 /nfs/dbraw/zinc/00/92/61/173009261.db2.gz UEFPPNJVAQZGAD-NSHDSACASA-N 1 0 219.332 2.165 10 0 BEAERO CN1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000044562813 173010497 /nfs/dbraw/zinc/01/04/97/173010497.db2.gz ZBNZGKJHXGVSOP-ZDUSSCGKSA-N 1 0 210.365 2.251 10 0 BEAERO C[N@@H+]1CCC[C@H](CNc2ccccc2)C1 ZINC000054239491 173040349 /nfs/dbraw/zinc/04/03/49/173040349.db2.gz CLVOTDVSQGAZJJ-GFCCVEGCSA-N 1 0 204.317 2.440 10 0 BEAERO CN1CCC[C@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218140170 173056744 /nfs/dbraw/zinc/05/67/44/173056744.db2.gz UECQSWDDDGQWOT-AWEZNQCLSA-N 1 0 243.354 2.352 10 0 BEAERO C[N@@H+]1CCC[C@H]1COc1ccccc1F ZINC000026385797 173057006 /nfs/dbraw/zinc/05/70/06/173057006.db2.gz UELUMOSZAMWYGU-JTQLQIEISA-N 1 0 209.264 2.299 10 0 BEAERO C[N@@H+]1CCC[C@H]1CNc1ncnc2ccccc21 ZINC000049099954 173057579 /nfs/dbraw/zinc/05/75/79/173057579.db2.gz NWCFLQPUDWLRDP-NSHDSACASA-N 1 0 242.326 2.136 10 0 BEAERO C[N@@H+]1CCC[C@H]2Cc3cc(O)ccc3C[C@@H]21 ZINC000039209734 173059240 /nfs/dbraw/zinc/05/92/40/173059240.db2.gz UJPVZDLSMSKCGV-FZMZJTMJSA-N 1 0 217.312 2.201 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2ccc(N)cc2Cl)C1 ZINC000042545185 173125276 /nfs/dbraw/zinc/12/52/76/173125276.db2.gz RGKOJWKJJNZBKB-SECBINFHSA-N 1 0 225.723 2.038 10 0 BEAERO C[N@@H+]1CC[C@@H](Nc2cccc(F)c2F)C1 ZINC000061989384 173126213 /nfs/dbraw/zinc/12/62/13/173126213.db2.gz KHUKXSKTSMMBBE-MRVPVSSYSA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CC[C@@](O)(c2cccc3ccccc32)C1 ZINC000061987206 173138123 /nfs/dbraw/zinc/13/81/23/173138123.db2.gz HBMKNIIYEZHSLK-HNNXBMFYSA-N 1 0 227.307 2.363 10 0 BEAERO CN1CC[C@H]([N@@H+]2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000116281230 173150330 /nfs/dbraw/zinc/15/03/30/173150330.db2.gz QRKSGEHHBZLVAD-ZFWWWQNUSA-N 1 0 248.370 2.039 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000061984627 173153808 /nfs/dbraw/zinc/15/38/08/173153808.db2.gz WGIJJKCLLZFPQO-VIFPVBQESA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2cc(F)c(F)cc2F)C1 ZINC000061989922 173154358 /nfs/dbraw/zinc/15/43/58/173154358.db2.gz DCBPLICWBZZELS-ZETCQYMHSA-N 1 0 230.233 2.220 10 0 BEAERO C[N@@H+]1CC[C@H](Nc2cc(F)ccc2F)C1 ZINC000061984563 173154426 /nfs/dbraw/zinc/15/44/26/173154426.db2.gz ZHISCPLMJVOUFC-VIFPVBQESA-N 1 0 212.243 2.081 10 0 BEAERO C[N@@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000082807628 173167334 /nfs/dbraw/zinc/16/73/34/173167334.db2.gz SUBBJXCKLBEEER-UHFFFAOYSA-N 1 0 231.274 2.204 10 0 BEAERO CN1CCc2nc([C@@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059681 173173549 /nfs/dbraw/zinc/17/35/49/173173549.db2.gz WNHFODHAXFTTMI-SNVBAGLBSA-N 1 0 239.388 2.177 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000061318823 173317402 /nfs/dbraw/zinc/31/74/02/173317402.db2.gz OJFBFFOWKULLKA-GHMZBOCLSA-N 1 0 226.364 2.022 10 0 BEAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccccc1C ZINC000061318641 173318281 /nfs/dbraw/zinc/31/82/81/173318281.db2.gz WHYDESJSLNWICN-LLVKDONJSA-N 1 0 234.343 2.170 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(F)cc1C ZINC000061300228 173318290 /nfs/dbraw/zinc/31/82/90/173318290.db2.gz ASGPNCQQMJDHSJ-UHFFFAOYSA-N 1 0 224.279 2.071 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)cc1F ZINC000061300321 173318402 /nfs/dbraw/zinc/31/84/02/173318402.db2.gz WXDCAMRNQKNTJA-UHFFFAOYSA-N 1 0 224.279 2.071 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)c(C)c1 ZINC000061300252 173318593 /nfs/dbraw/zinc/31/85/93/173318593.db2.gz YGRWXWFWYYRZSF-UHFFFAOYSA-N 1 0 220.316 2.240 10 0 BEAERO C[NH2+]C(C)(C)C(=O)Nc1cccc2cnccc21 ZINC000061300739 173319772 /nfs/dbraw/zinc/31/97/72/173319772.db2.gz QPMNILWGBZPHHJ-UHFFFAOYSA-N 1 0 243.310 2.171 10 0 BEAERO C[NH2+]C(C)(C)c1nc2cc(F)ccc2n1C ZINC000061149805 173321028 /nfs/dbraw/zinc/32/10/28/173321028.db2.gz PQXBNAUQFMDHPK-UHFFFAOYSA-N 1 0 221.279 2.167 10 0 BEAERO C[NH+]=C1Nc2cccc(Cl)c2[C@@H](C)N1 ZINC000029130460 173322342 /nfs/dbraw/zinc/32/23/42/173322342.db2.gz OVCRQVHRSLIVTD-ZCFIWIBFSA-N 1 0 209.680 2.211 10 0 BEAERO C[NH2+]C1CCN(Cc2cccc(C)c2)CC1 ZINC000037469343 173322846 /nfs/dbraw/zinc/32/28/46/173322846.db2.gz YOEDDAFXYKQUNT-UHFFFAOYSA-N 1 0 218.344 2.179 10 0 BEAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1cccnc1 ZINC000054628080 173323625 /nfs/dbraw/zinc/32/36/25/173323625.db2.gz ZNEIPEWPTXPPTA-JZIBPQBNSA-N 1 0 245.370 2.357 10 0 BEAERO C[NH2+]C1CCN([C@H](C)CCc2ccco2)CC1 ZINC000049568567 173324290 /nfs/dbraw/zinc/32/42/90/173324290.db2.gz IDULCITTWSTMPQ-GFCCVEGCSA-N 1 0 236.359 2.285 10 0 BEAERO C[NH2+]CC(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000083906079 173326027 /nfs/dbraw/zinc/32/60/27/173326027.db2.gz QVHCYFQXMPYPBF-CQSZACIVSA-N 1 0 246.354 2.186 10 0 BEAERO C[NH2+]CC(C)(C)CN1CCc2ccccc21 ZINC000051206678 173337176 /nfs/dbraw/zinc/33/71/76/173337176.db2.gz YZGGZHOYWSVSLS-UHFFFAOYSA-N 1 0 218.344 2.295 10 0 BEAERO C[NH2+]CC1(c2ccc(C)c(OC)c2)CC1 ZINC000053739118 173337481 /nfs/dbraw/zinc/33/74/81/173337481.db2.gz PDSRBPJVCFPPJD-UHFFFAOYSA-N 1 0 205.301 2.255 10 0 BEAERO C[NH2+]CCC(=O)c1ccc(OC(C)C)c(F)c1 ZINC000071549397 173342160 /nfs/dbraw/zinc/34/21/60/173342160.db2.gz OPCHRSIKYQKNJK-UHFFFAOYSA-N 1 0 239.290 2.405 10 0 BEAERO C[NH2+]CCCOCc1ccc(C)c(C)c1 ZINC000077300895 173349668 /nfs/dbraw/zinc/34/96/68/173349668.db2.gz KVOMJUCIQAFLAG-UHFFFAOYSA-N 1 0 207.317 2.430 10 0 BEAERO C[NH2+]CCCc1nc2cc(C)ccc2n1C ZINC000037437959 173350547 /nfs/dbraw/zinc/35/05/47/173350547.db2.gz BXTSTWLJTYCMOB-UHFFFAOYSA-N 1 0 217.316 2.034 10 0 BEAERO C[NH2+]CCCc1c[nH]c2cc(OC)cc(OC)c12 ZINC000107293774 173350613 /nfs/dbraw/zinc/35/06/13/173350613.db2.gz DKWOOFZEKGCBTO-UHFFFAOYSA-N 1 0 248.326 2.337 10 0 BEAERO C[NH2+]CCCc1nc(-c2cccc(OC)c2)c[nH]1 ZINC000037611637 173351579 /nfs/dbraw/zinc/35/15/79/173351579.db2.gz GFLJNGDNJUMBGS-UHFFFAOYSA-N 1 0 245.326 2.237 10 0 BEAERO C[NH2+]CCN(C)c1cc(C(C)C)ccc1OC ZINC000107290839 173353624 /nfs/dbraw/zinc/35/36/24/173353624.db2.gz ZSDNEWKUWCSYRT-UHFFFAOYSA-N 1 0 236.359 2.474 10 0 BEAERO C[NH2+]CCOCCc1ccc(Cl)s1 ZINC000077329573 173356920 /nfs/dbraw/zinc/35/69/20/173356920.db2.gz DZKOMYPEACVYHJ-UHFFFAOYSA-N 1 0 219.737 2.180 10 0 BEAERO C[NH2+]CCSc1ccc(F)cc1F ZINC000042407699 173357587 /nfs/dbraw/zinc/35/75/87/173357587.db2.gz AXESKTHKXLSXIS-UHFFFAOYSA-N 1 0 203.257 2.276 10 0 BEAERO C[NH2+]CC[C@@H](C)N1CCc2ccccc21 ZINC000052420276 173357619 /nfs/dbraw/zinc/35/76/19/173357619.db2.gz YXJKDMUAYFXKSV-LLVKDONJSA-N 1 0 204.317 2.047 10 0 BEAERO C[NH2+]CC[C@H](C)c1ccc(OC)c(OC)c1 ZINC000011630071 173358116 /nfs/dbraw/zinc/35/81/16/173358116.db2.gz NKHFYTGTISURJL-JTQLQIEISA-N 1 0 223.316 2.417 10 0 BEAERO C[NH2+]CC[C@H](C)Cc1cccc(OC)c1 ZINC000041216377 173358237 /nfs/dbraw/zinc/35/82/37/173358237.db2.gz UHMXRFZQMKVZEB-NSHDSACASA-N 1 0 207.317 2.483 10 0 BEAERO C[NH2+]CC[C@H](C)Oc1cccc(N(C)C)c1 ZINC000041241458 173358348 /nfs/dbraw/zinc/35/83/48/173358348.db2.gz OKBMOZQOWKFUCF-NSHDSACASA-N 1 0 222.332 2.129 10 0 BEAERO C[NH2+]CCc1noc(-c2cc(C)ccc2C)n1 ZINC000051850826 173361659 /nfs/dbraw/zinc/36/16/59/173361659.db2.gz ZELMWWUPQYVISQ-UHFFFAOYSA-N 1 0 231.299 2.115 10 0 BEAERO C[NH2+]CCc1noc(-c2cc(C)cc(C)c2)n1 ZINC000051850754 173361824 /nfs/dbraw/zinc/36/18/24/173361824.db2.gz AXJOJIWDUUUAIT-UHFFFAOYSA-N 1 0 231.299 2.115 10 0 BEAERO C[NH2+]C[C@@H](C(C)C)N1CCc2ccccc21 ZINC000052420190 173362025 /nfs/dbraw/zinc/36/20/25/173362025.db2.gz HMCWVEWNONRZJR-AWEZNQCLSA-N 1 0 218.344 2.293 10 0 BEAERO C[NH2+]C[C@@H](C)CCOc1ccc(OC)cc1 ZINC000041242934 173363950 /nfs/dbraw/zinc/36/39/50/173363950.db2.gz IYEMAHDQNBNSBN-NSHDSACASA-N 1 0 223.316 2.320 10 0 BEAERO C[NH2+]C[C@@H](C)CCOc1ccccc1F ZINC000041225660 173364182 /nfs/dbraw/zinc/36/41/82/173364182.db2.gz MSHYFWQIBJUGJC-JTQLQIEISA-N 1 0 211.280 2.450 10 0 BEAERO C[NH2+]C[C@@H](C)CCOc1cccc(F)c1 ZINC000041225668 173364249 /nfs/dbraw/zinc/36/42/49/173364249.db2.gz XLYHXRXLRYZPNU-JTQLQIEISA-N 1 0 211.280 2.450 10 0 BEAERO C[NH2+]C[C@@H](C)Cn1nc(C)c(Cl)c1C ZINC000052574080 173364319 /nfs/dbraw/zinc/36/43/19/173364319.db2.gz CFNVVEDKJVXLKX-SSDOTTSWSA-N 1 0 215.728 2.009 10 0 BEAERO C[NH2+]C[C@@H](CCOC)Cc1ccc(OC)cc1 ZINC000052975826 173364960 /nfs/dbraw/zinc/36/49/60/173364960.db2.gz CRGZMZNDIBTMJK-ZDUSSCGKSA-N 1 0 237.343 2.110 10 0 BEAERO C[NH2+]C[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000034224304 173365229 /nfs/dbraw/zinc/36/52/29/173365229.db2.gz SRQWASKTEGPBJR-SECBINFHSA-N 1 0 209.289 2.027 10 0 BEAERO C[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000055027388 173365580 /nfs/dbraw/zinc/36/55/80/173365580.db2.gz NTOYFARVTSYYLK-MRVPVSSYSA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@@H](O)CSc1ccc(Cl)cc1 ZINC000019686871 173365488 /nfs/dbraw/zinc/36/54/88/173365488.db2.gz BPJHFUGXEWUELY-SECBINFHSA-N 1 0 231.748 2.012 10 0 BEAERO C[NH2+]C[C@@H](O)CSc1ccccc1Cl ZINC000019865174 173365625 /nfs/dbraw/zinc/36/56/25/173365625.db2.gz GHUDYCQXJXPOHO-MRVPVSSYSA-N 1 0 231.748 2.012 10 0 BEAERO C[NH2+]C[C@@H](OC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000050493955 173366729 /nfs/dbraw/zinc/36/67/29/173366729.db2.gz IYQCHEWSDOXYDE-HUUCEWRRSA-N 1 0 249.354 2.451 10 0 BEAERO C[NH2+]C[C@@H]1CCCCN1Cc1ccsc1 ZINC000042407899 173367057 /nfs/dbraw/zinc/36/70/57/173367057.db2.gz DLUSFRVNLXMRKL-LBPRGKRZSA-N 1 0 224.373 2.322 10 0 BEAERO C[NH2+]C[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000039795618 173367124 /nfs/dbraw/zinc/36/71/24/173367124.db2.gz DNCUIMRLEHUIQW-AWEZNQCLSA-N 1 0 236.359 2.296 10 0 BEAERO C[NH2+]C[C@@H](c1ccccc1)N1CCC[C@@H]1C ZINC000052376158 173367249 /nfs/dbraw/zinc/36/72/49/173367249.db2.gz OHHPPQYKJKWKIY-JSGCOSHPSA-N 1 0 218.344 2.431 10 0 BEAERO C[NH2+]C[C@@H](Oc1cccnc1)c1ccccc1 ZINC000052646746 173367260 /nfs/dbraw/zinc/36/72/60/173367260.db2.gz VTGYPZNLNLVDFX-CQSZACIVSA-N 1 0 228.295 2.421 10 0 BEAERO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)C(C)(C)C ZINC000122572904 173368586 /nfs/dbraw/zinc/36/85/86/173368586.db2.gz NQKHFUGBLPEUSK-RYUDHWBXSA-N 1 0 240.391 2.269 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cccc(C)c2C)C1 ZINC000011892173 173370717 /nfs/dbraw/zinc/37/07/17/173370717.db2.gz NIBRMJAHPVZDII-ZDUSSCGKSA-N 1 0 218.344 2.349 10 0 BEAERO C[NH2+]C[C@@H]1CCN(c2cc(F)ccc2F)C1 ZINC000053011421 173371224 /nfs/dbraw/zinc/37/12/24/173371224.db2.gz WBOUINRJJAMOMP-VIFPVBQESA-N 1 0 226.270 2.011 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(Br)o1 ZINC000054588365 173371591 /nfs/dbraw/zinc/37/15/91/173371591.db2.gz ZALAVZMILSUIDP-BQBZGAKWSA-N 1 0 230.105 2.365 10 0 BEAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc2c(c1)OCCCO2 ZINC000054589512 173371907 /nfs/dbraw/zinc/37/19/07/173371907.db2.gz OFHVHMDYUPIIFD-WFASDCNBSA-N 1 0 247.338 2.345 10 0 BEAERO C[NH2+]C[C@@](C)(O)c1cc(C)c(C)cc1C ZINC000071510817 173372140 /nfs/dbraw/zinc/37/21/40/173372140.db2.gz HGWPNSCNXPUALX-CYBMUJFWSA-N 1 0 207.317 2.039 10 0 BEAERO C[NH2+]C[C@@H]1C[C@H]1c1ccc(Br)o1 ZINC000054588369 173372521 /nfs/dbraw/zinc/37/25/21/173372521.db2.gz ZALAVZMILSUIDP-NKWVEPMBSA-N 1 0 230.105 2.365 10 0 BEAERO C[NH2+]C[C@H](C(C)C)n1cnc2ccccc21 ZINC000052576510 173373308 /nfs/dbraw/zinc/37/33/08/173373308.db2.gz ZKAHJYHVVSIECO-CYBMUJFWSA-N 1 0 217.316 2.453 10 0 BEAERO C[NH2+]C[C@H](C(C)C)N1CCc2sccc2C1 ZINC000052382830 173373312 /nfs/dbraw/zinc/37/33/12/173373312.db2.gz DUCYBGKATSJGMI-GFCCVEGCSA-N 1 0 238.400 2.350 10 0 BEAERO C[NH2+]C[C@H](C(C)C)N1Cc2ccccc2C1 ZINC000052374184 173373521 /nfs/dbraw/zinc/37/35/21/173373521.db2.gz APMBVOORFVDKSH-CQSZACIVSA-N 1 0 218.344 2.246 10 0 BEAERO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000130864812 173374816 /nfs/dbraw/zinc/37/48/16/173374816.db2.gz CXKWXSPMZTVFHZ-YNEHKIRRSA-N 1 0 240.391 2.173 10 0 BEAERO C[NH2+]C[C@H](C)CCOc1ccc(F)cc1 ZINC000041225680 173375144 /nfs/dbraw/zinc/37/51/44/173375144.db2.gz CHSMVIYSPSJOCY-SNVBAGLBSA-N 1 0 211.280 2.450 10 0 BEAERO C[NH2+]C[C@H](C)n1cnc2cc(F)c(F)cc21 ZINC000053530973 173376010 /nfs/dbraw/zinc/37/60/10/173376010.db2.gz UVMARUSPVUYARA-ZETCQYMHSA-N 1 0 225.242 2.095 10 0 BEAERO C[NH2+]C[C@H](C)Oc1ncc(Cl)cc1Cl ZINC000051867630 173376046 /nfs/dbraw/zinc/37/60/46/173376046.db2.gz AJWMRSGLHTYVMT-LURJTMIESA-N 1 0 235.114 2.375 10 0 BEAERO C[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000052647204 173376179 /nfs/dbraw/zinc/37/61/79/173376179.db2.gz NVNWRLCRDMWASW-QMMMGPOBSA-N 1 0 244.132 2.436 10 0 BEAERO C[NH2+]C[C@H](O)c1cccc(Cl)c1Cl ZINC000055027162 173377178 /nfs/dbraw/zinc/37/71/78/173377178.db2.gz BXGAXWZGUMWWBB-QMMMGPOBSA-N 1 0 220.099 2.246 10 0 BEAERO C[NH2+]C[C@H](OCCCOC)c1ccccc1C ZINC000050486456 173378066 /nfs/dbraw/zinc/37/80/66/173378066.db2.gz IJDSVFDEUUDWAT-AWEZNQCLSA-N 1 0 237.343 2.309 10 0 BEAERO C[NH2+]C[C@H]1CCCCN1CCc1ccccc1 ZINC000042407799 173378124 /nfs/dbraw/zinc/37/81/24/173378124.db2.gz KAVZWKPJGLXOAA-OAHLLOKOSA-N 1 0 232.371 2.303 10 0 BEAERO C[NH2+]C[C@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000054588424 173383202 /nfs/dbraw/zinc/38/32/02/173383202.db2.gz GTJOJPVWCGMEHG-BXUZGUMPSA-N 1 0 227.311 2.195 10 0 BEAERO C[NH2+]Cc1c(C)[nH]c2c1cccc2OC ZINC000082593126 173383965 /nfs/dbraw/zinc/38/39/65/173383965.db2.gz HABHDSPJBGTTFV-UHFFFAOYSA-N 1 0 204.273 2.204 10 0 BEAERO C[NH2+]C[C@]1(CCOc2ccccc2)CCCOC1 ZINC000062193708 173384154 /nfs/dbraw/zinc/38/41/54/173384154.db2.gz IXABTTKSELMMNZ-OAHLLOKOSA-N 1 0 249.354 2.472 10 0 BEAERO C[NH2+]Cc1c(C)cc(C)nc1-n1nc(C)cc1C ZINC000051490680 173384392 /nfs/dbraw/zinc/38/43/92/173384392.db2.gz XORAHLFGEMHPRY-UHFFFAOYSA-N 1 0 244.342 2.220 10 0 BEAERO C[NH2+]Cc1c(C)nn(-c2ccc(OC)cc2)c1C ZINC000062986672 173384415 /nfs/dbraw/zinc/38/44/15/173384415.db2.gz ASJPXVKWVDLFCB-UHFFFAOYSA-N 1 0 245.326 2.217 10 0 BEAERO C[NH2+]Cc1c(N2CCC[C@@H]2C)nc2ccccn21 ZINC000037911841 173385214 /nfs/dbraw/zinc/38/52/14/173385214.db2.gz LTHPWHHNZVJMOD-NSHDSACASA-N 1 0 244.342 2.042 10 0 BEAERO C[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000034825248 173385216 /nfs/dbraw/zinc/38/52/16/173385216.db2.gz XKFHGBBUOXRSCY-UHFFFAOYSA-N 1 0 221.691 2.245 10 0 BEAERO C[NH2+]Cc1ccc(OC[C@@H]2CC=CC[C@H]2C)nn1 ZINC000051543061 173388828 /nfs/dbraw/zinc/38/88/28/173388828.db2.gz QRHZMADNJPTQCK-NEPJUHHUSA-N 1 0 247.342 2.177 10 0 BEAERO C[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000035099557 173389434 /nfs/dbraw/zinc/38/94/34/173389434.db2.gz YIXWZKJUPCPTLG-UHFFFAOYSA-N 1 0 217.215 2.016 10 0 BEAERO C[NH2+]Cc1cccc(NC(=O)c2ccoc2)c1 ZINC000036282445 173389597 /nfs/dbraw/zinc/38/95/97/173389597.db2.gz SZJGLPGPJYBGNG-UHFFFAOYSA-N 1 0 230.267 2.251 10 0 BEAERO C[NH2+]Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000082293933 173390497 /nfs/dbraw/zinc/39/04/97/173390497.db2.gz OOJAOGKXAKBVSY-HNNXBMFYSA-N 1 0 227.307 2.488 10 0 BEAERO C[NH2+]Cc1ccccc1Cn1cc(Cl)cn1 ZINC000052577300 173390619 /nfs/dbraw/zinc/39/06/19/173390619.db2.gz WBNNBXZMMLWIMB-UHFFFAOYSA-N 1 0 235.718 2.304 10 0 BEAERO C[NH2+]Cc1ccccc1N(C)C[C@@H]1CCCOC1 ZINC000104193792 173390641 /nfs/dbraw/zinc/39/06/41/173390641.db2.gz QFUNOJMSEBBRAZ-ZDUSSCGKSA-N 1 0 248.370 2.269 10 0 BEAERO C[NH2+]Cc1cn(C)nc1-c1ccc(C)cc1 ZINC000031886949 173391269 /nfs/dbraw/zinc/39/12/69/173391269.db2.gz PTNXDZVLHRCOOY-UHFFFAOYSA-N 1 0 215.300 2.115 10 0 BEAERO C[NH2+]Cc1cnc(N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000054899692 173392060 /nfs/dbraw/zinc/39/20/60/173392060.db2.gz FTSKHYNBSXNPNE-NXEZZACHSA-N 1 0 239.388 2.345 10 0 BEAERO C[NH2+]Cc1cnc(-c2ncccc2C)s1 ZINC000043616972 173392546 /nfs/dbraw/zinc/39/25/46/173392546.db2.gz UJZLYXYRKHLBKW-UHFFFAOYSA-N 1 0 219.313 2.233 10 0 BEAERO C[NH2+]Cc1cnc(Cc2ccccc2Cl)nc1 ZINC000054855478 173392587 /nfs/dbraw/zinc/39/25/87/173392587.db2.gz WAAUHGFOHLXMJL-UHFFFAOYSA-N 1 0 247.729 2.440 10 0 BEAERO C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000049932779 173393021 /nfs/dbraw/zinc/39/30/21/173393021.db2.gz BHOZPZSALMCKCL-UHFFFAOYSA-N 1 0 235.718 2.304 10 0 BEAERO C[NH2+]Cc1cnn(-c2ccccc2Cl)c1 ZINC000040932520 173393315 /nfs/dbraw/zinc/39/33/15/173393315.db2.gz IERASQUKDIGTJW-UHFFFAOYSA-N 1 0 221.691 2.245 10 0 BEAERO C[NH2+]Cc1cnn(Cc2cccc(C)c2)c1C ZINC000071192631 173393522 /nfs/dbraw/zinc/39/35/22/173393522.db2.gz DKHHOJMUIIIIOF-UHFFFAOYSA-N 1 0 229.327 2.268 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(C)cc2)c(C)[nH]1 ZINC000036877297 173395206 /nfs/dbraw/zinc/39/52/06/173395206.db2.gz PNWIHUXYDKOXCE-UHFFFAOYSA-N 1 0 215.300 2.413 10 0 BEAERO C[NH2+]Cc1nc2c(s1)Cc1ccccc1-2 ZINC000045205972 173396807 /nfs/dbraw/zinc/39/68/07/173396807.db2.gz KMCCGOAZAZOQGI-UHFFFAOYSA-N 1 0 216.309 2.434 10 0 BEAERO C[NH2+]Cc1nnc(-c2cccc(OC(C)C)c2)o1 ZINC000061667175 173397684 /nfs/dbraw/zinc/39/76/84/173397684.db2.gz STNGLJAHOSSVIT-UHFFFAOYSA-N 1 0 247.298 2.243 10 0 BEAERO C[NH2+]Cc1nc(-c2ccc(F)cc2F)c[nH]1 ZINC000036877237 173398067 /nfs/dbraw/zinc/39/80/67/173398067.db2.gz RXSOJLCZPDHWAI-UHFFFAOYSA-N 1 0 223.226 2.074 10 0 BEAERO C[NH2+]Cc1nnc(-c2nccc3ccccc32)o1 ZINC000050615469 173398133 /nfs/dbraw/zinc/39/81/33/173398133.db2.gz YEIQBPLQSCZBQJ-UHFFFAOYSA-N 1 0 240.266 2.004 10 0 BEAERO C[NH2+]Cc1oc(Cn2nc(C)c(C)c2C)cc1C ZINC000052591838 173399961 /nfs/dbraw/zinc/39/99/61/173399961.db2.gz XWBRYHKBHKJAAI-UHFFFAOYSA-N 1 0 247.342 2.477 10 0 BEAERO C[NH2+][C@@H](C)c1ccc(NC(=O)OC)cc1 ZINC000035645302 173418620 /nfs/dbraw/zinc/41/86/20/173418620.db2.gz ODSKPGFETQKSAV-QMMMGPOBSA-N 1 0 208.261 2.145 10 0 BEAERO C[NH2+][C@@H](Cc1ccc(F)cc1F)c1cnccn1 ZINC000050886133 173424781 /nfs/dbraw/zinc/42/47/81/173424781.db2.gz RVNUIZCXXJKSGV-LBPRGKRZSA-N 1 0 249.264 2.258 10 0 BEAERO C[NH2+][C@@H](Cc1cccc(C)c1)[C@H]1CCOC1 ZINC000052127408 173425795 /nfs/dbraw/zinc/42/57/95/173425795.db2.gz REXKZKHUPOHDKQ-KBPBESRZSA-N 1 0 219.328 2.162 10 0 BEAERO C[NH2+][C@@H](c1cccs1)C1CCOCC1 ZINC000061671653 173429958 /nfs/dbraw/zinc/42/99/58/173429958.db2.gz GTHJSAHQVZIYSW-LLVKDONJSA-N 1 0 211.330 2.435 10 0 BEAERO C[NH2+][C@@H]1CCc2c1cccc2OC(F)F ZINC000042405149 173438595 /nfs/dbraw/zinc/43/85/95/173438595.db2.gz NYRNIOFRHVUKRX-SECBINFHSA-N 1 0 213.227 2.495 10 0 BEAERO C[NH2+][C@@H]1COC(C)(C)O[C@H]1c1ccccc1 ZINC000006591252 173438878 /nfs/dbraw/zinc/43/88/78/173438878.db2.gz OLDLOVICBLVDFQ-NEPJUHHUSA-N 1 0 221.300 2.099 10 0 BEAERO C[NH2+][C@H](C)c1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000052300412 173448123 /nfs/dbraw/zinc/44/81/23/173448123.db2.gz QPKRWIPNPVHMSE-BREBYQMCSA-N 1 0 247.342 2.497 10 0 BEAERO C[NH2+][C@H](C)c1ccc(-n2cncn2)c(Cl)c1 ZINC000061698284 173448631 /nfs/dbraw/zinc/44/86/31/173448631.db2.gz ATUVWABAUXKWRL-MRVPVSSYSA-N 1 0 236.706 2.201 10 0 BEAERO C[NH2+][C@H](CC(C)C)c1ccc2c(c1)NC(=O)CO2 ZINC000035501754 173451036 /nfs/dbraw/zinc/45/10/36/173451036.db2.gz WZROLVVHSMYKOE-LLVKDONJSA-N 1 0 248.326 2.324 10 0 BEAERO C[NH2+][C@H]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000055231761 173463061 /nfs/dbraw/zinc/46/30/61/173463061.db2.gz BOJGZIBQONHLEN-RYUDHWBXSA-N 1 0 233.311 2.313 10 0 BEAERO C[NH2+][C@H]1C[C@H](C)c2c1cc(OC)cc2OC ZINC000082618021 173468611 /nfs/dbraw/zinc/46/86/11/173468611.db2.gz SSZKHDXNOKEXNS-KWQFWETISA-N 1 0 221.300 2.472 10 0 BEAERO COC(=O)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000037415862 173542710 /nfs/dbraw/zinc/54/27/10/173542710.db2.gz YPIYDHMDGDSILJ-LBPRGKRZSA-N 1 0 235.327 2.333 10 0 BEAERO COC1(c2ccc(C)cc2)CC[NH2+]CC1 ZINC000039105370 174010355 /nfs/dbraw/zinc/01/03/55/174010355.db2.gz RFTNDUVHECXWAN-UHFFFAOYSA-N 1 0 205.301 2.220 10 0 BEAERO COC1CC[NH+](C[C@@H]2CCCCC[C@H]2O)CC1 ZINC000053883129 174028228 /nfs/dbraw/zinc/02/82/28/174028228.db2.gz PJRXQABFBHNCAH-GXTWGEPZSA-N 1 0 241.375 2.038 10 0 BEAERO COC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000130482840 174030154 /nfs/dbraw/zinc/03/01/54/174030154.db2.gz XBOPTASBFSNXBI-UHFFFAOYSA-N 1 0 246.354 2.265 10 0 BEAERO COC1CCN([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000037265847 174030339 /nfs/dbraw/zinc/03/03/39/174030339.db2.gz QJKZDHKSRXKUEO-OAHLLOKOSA-N 1 0 248.370 2.106 10 0 BEAERO COC1CC[NH+](Cc2cccc(N)c2C)CC1 ZINC000035649158 174030791 /nfs/dbraw/zinc/03/07/91/174030791.db2.gz YMBLUNYRXQZCOL-UHFFFAOYSA-N 1 0 234.343 2.188 10 0 BEAERO COCCCC[NH2+][C@H](C)CC(C)(C)OC ZINC000044656766 174204081 /nfs/dbraw/zinc/20/40/81/174204081.db2.gz KAOYPGLGHDVEPR-LLVKDONJSA-N 1 0 217.353 2.206 10 0 BEAERO COCCCN(C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000062029288 174220300 /nfs/dbraw/zinc/22/03/00/174220300.db2.gz GUATVCWFYCWGFW-TZMCWYRMSA-N 1 0 236.359 2.043 10 0 BEAERO COCCCN(CCC[NH3+])c1ccc(F)cc1 ZINC000037753564 174221936 /nfs/dbraw/zinc/22/19/36/174221936.db2.gz IBSSZMVJDXCJRV-UHFFFAOYSA-N 1 0 240.322 2.017 10 0 BEAERO COCCC[NH2+]Cc1nc2ccccc2s1 ZINC000037977644 174247922 /nfs/dbraw/zinc/24/79/22/174247922.db2.gz LFGTXSFIDPCCQL-UHFFFAOYSA-N 1 0 236.340 2.422 10 0 BEAERO COCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336670952 174249840 /nfs/dbraw/zinc/24/98/40/174249840.db2.gz YPBIYACSDFHXBB-WDEREUQCSA-N 1 0 203.301 2.141 10 0 BEAERO COCCC[NH2+][C@H](C)c1ccc(N)c(F)c1 ZINC000020550865 174250716 /nfs/dbraw/zinc/25/07/16/174250716.db2.gz JKNGMULJPLCLDX-SECBINFHSA-N 1 0 226.295 2.095 10 0 BEAERO COCCCNc1ccc(N)c2c[nH+]ccc12 ZINC000035332878 174252531 /nfs/dbraw/zinc/25/25/31/174252531.db2.gz LJVBXWVKNCIMAS-UHFFFAOYSA-N 1 0 231.299 2.265 10 0 BEAERO COCCCO[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042969309 174256094 /nfs/dbraw/zinc/25/60/94/174256094.db2.gz IPMCISYNUXTGLT-TZMCWYRMSA-N 1 0 237.343 2.436 10 0 BEAERO COCCC[C@H](C[NH3+])Cc1ccccc1OC ZINC000052948717 174264613 /nfs/dbraw/zinc/26/46/13/174264613.db2.gz TUWBCSSDYYMNMA-LBPRGKRZSA-N 1 0 237.343 2.239 10 0 BEAERO COCC[N@H+](C)C[C@@H](C)C(=O)c1ccccc1 ZINC000053936480 174279330 /nfs/dbraw/zinc/27/93/30/174279330.db2.gz VXEHWUOQSYQLBD-GFCCVEGCSA-N 1 0 235.327 2.084 10 0 BEAERO COCC[N@H+](C1CC1)[C@]1(CN)CCCC[C@H]1C ZINC000042517897 174285231 /nfs/dbraw/zinc/28/52/31/174285231.db2.gz FEMBKSWMOJKWQO-OCCSQVGLSA-N 1 0 240.391 2.005 10 0 BEAERO COCC[N@H+]([C@H](C)c1ccc(N)cc1)C1CC1 ZINC000042517323 174285269 /nfs/dbraw/zinc/28/52/69/174285269.db2.gz CBLDMEQADNJUIO-LLVKDONJSA-N 1 0 234.343 2.441 10 0 BEAERO COCC[N@H+](CC(=O)C(C)(C)C)[C@@H](C)C1CC1 ZINC000042680724 174285350 /nfs/dbraw/zinc/28/53/50/174285350.db2.gz HLAYDZVFAZIQNT-NSHDSACASA-N 1 0 241.375 2.349 10 0 BEAERO COCC[N@H+](C[C@@H]1C[C@H](C)CCC1=O)C1CC1 ZINC000053929351 174296983 /nfs/dbraw/zinc/29/69/83/174296983.db2.gz GSOHDHARTMVIFB-NEPJUHHUSA-N 1 0 239.359 2.103 10 0 BEAERO COCC[N@H+](C[C@@H]1C[C@@H](C)CCC1=O)C1CC1 ZINC000053929353 174297788 /nfs/dbraw/zinc/29/77/88/174297788.db2.gz GSOHDHARTMVIFB-RYUDHWBXSA-N 1 0 239.359 2.103 10 0 BEAERO COCCN(c1ccccc1C[C@@H](C)[NH3+])C1CC1 ZINC000104271167 174302963 /nfs/dbraw/zinc/30/29/63/174302963.db2.gz XAGAPPRKTKPDRO-GFCCVEGCSA-N 1 0 248.370 2.192 10 0 BEAERO COCC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000053288459 174330144 /nfs/dbraw/zinc/33/01/44/174330144.db2.gz RGYIAJYICWTFAD-UHFFFAOYSA-N 1 0 226.345 2.067 10 0 BEAERO COCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000036840929 174330423 /nfs/dbraw/zinc/33/04/23/174330423.db2.gz ORBSSHNSDZAFKG-UHFFFAOYSA-N 1 0 223.291 2.308 10 0 BEAERO COCC[NH2+]CCCc1ccc(C)cc1 ZINC000041216282 174332505 /nfs/dbraw/zinc/33/25/05/174332505.db2.gz CLOKTJLAPWTCOA-UHFFFAOYSA-N 1 0 207.317 2.164 10 0 BEAERO COCC[NH2+][C@@H](c1nc(C)c(C)s1)C1CC1 ZINC000045205779 174338153 /nfs/dbraw/zinc/33/81/53/174338153.db2.gz GRDLRMHWIIIKLU-LLVKDONJSA-N 1 0 240.372 2.447 10 0 BEAERO COCC[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000058055261 174338986 /nfs/dbraw/zinc/33/89/86/174338986.db2.gz WQKHKMBKOCINKG-DMDPSCGWSA-N 1 0 211.349 2.437 10 0 BEAERO COCC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037186449 174339392 /nfs/dbraw/zinc/33/93/92/174339392.db2.gz IUKUHNPLAGOYAQ-GFCCVEGCSA-N 1 0 223.341 2.211 10 0 BEAERO COCCOC[C@H]([NH3+])c1cc2ccccc2o1 ZINC000019263960 174363225 /nfs/dbraw/zinc/36/32/25/174363225.db2.gz URAQETVGWKDUHZ-NSHDSACASA-N 1 0 235.283 2.096 10 0 BEAERO COCCO[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000050495670 174366976 /nfs/dbraw/zinc/36/69/76/174366976.db2.gz UXFUUEQNVONPRY-CQSZACIVSA-N 1 0 235.327 2.143 10 0 BEAERO COCCOc1ccc(C[C@H]2CCC[NH2+]2)cc1 ZINC000071545896 174368277 /nfs/dbraw/zinc/36/82/77/174368277.db2.gz GNFVRBKGDLLJBW-CYBMUJFWSA-N 1 0 235.327 2.006 10 0 BEAERO COCC[C@@H]([NH3+])c1nc(-c2cccc(F)c2)c[nH]1 ZINC000052811156 174393368 /nfs/dbraw/zinc/39/33/68/174393368.db2.gz HRUWNXUOBCOELB-LLVKDONJSA-N 1 0 249.289 2.252 10 0 BEAERO COC[C@@H]1CCCC[N@H+](C[C@](C)(O)C(C)C)C1 ZINC000364357357 174501139 /nfs/dbraw/zinc/50/11/39/174501139.db2.gz RLUUSMDZFQRTIR-KGLIPLIRSA-N 1 0 243.391 2.142 10 0 BEAERO COC[C@H](C)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000125051487 174549759 /nfs/dbraw/zinc/54/97/59/174549759.db2.gz KBMORWBGIPHOTL-JTQLQIEISA-N 1 0 242.388 2.466 10 0 BEAERO COC[C@H](CC(C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309943433 174560940 /nfs/dbraw/zinc/56/09/40/174560940.db2.gz CLRPJJJQYFXBBC-RYUDHWBXSA-N 1 0 231.380 2.044 10 0 BEAERO CON(C)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043252995 174659881 /nfs/dbraw/zinc/65/98/81/174659881.db2.gz DLNIIJDVLGKCSO-MUWHJKNJSA-N 1 0 234.752 2.283 10 0 BEAERO CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308571710 174836393 /nfs/dbraw/zinc/83/63/93/174836393.db2.gz CDULXIBPUYNTTJ-GMTAPVOTSA-N 1 0 203.301 2.139 10 0 BEAERO CO[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000071511842 174861154 /nfs/dbraw/zinc/86/11/54/174861154.db2.gz AWDNBCUGMUJYBH-GFCCVEGCSA-N 1 0 209.289 2.120 10 0 BEAERO COc1cc(C[C@@H](C)[NH3+])c(OC)c2c1CCC2 ZINC000027214697 174987922 /nfs/dbraw/zinc/98/79/22/174987922.db2.gz GLFZOKOHBIKEKN-SECBINFHSA-N 1 0 235.327 2.082 10 0 BEAERO COc1cc2c(CC[NH+](C)C)c[nH]c2c(OC)c1 ZINC000028228019 175007824 /nfs/dbraw/zinc/00/78/24/175007824.db2.gz JHRIXTHEMSMGLN-UHFFFAOYSA-N 1 0 248.326 2.289 10 0 BEAERO COc1cc(OC)c([C@@H](C)CC[NH3+])c(OC)c1 ZINC000096988631 175008014 /nfs/dbraw/zinc/00/80/14/175008014.db2.gz DZLVKEPIPVRABX-VIFPVBQESA-N 1 0 239.315 2.165 10 0 BEAERO COc1cc(OC)c2c(c1)C(C)(C)C[NH2+]C2 ZINC000057513789 175008669 /nfs/dbraw/zinc/00/86/69/175008669.db2.gz LKMZMIRUCHLVCE-UHFFFAOYSA-N 1 0 221.300 2.085 10 0 BEAERO COc1cc(OC)c2c(c1)[C@@H]([NH3+])CCCC2 ZINC000019727441 175009064 /nfs/dbraw/zinc/00/90/64/175009064.db2.gz CLKKNWUDWOKPQY-LBPRGKRZSA-N 1 0 221.300 2.430 10 0 BEAERO COc1cc2c(ccn2CCC[NH3+])c(OC)c1 ZINC000059731530 175009804 /nfs/dbraw/zinc/00/98/04/175009804.db2.gz BJGLPTHPZAOBAK-UHFFFAOYSA-N 1 0 234.299 2.007 10 0 BEAERO COc1cc(OC)cc([C@H]2[NH2+]CC[C@@H]2C)c1 ZINC000003733624 175011381 /nfs/dbraw/zinc/01/13/81/175011381.db2.gz NTHVLEJLYWYEJT-ZANVPECISA-N 1 0 221.300 2.374 10 0 BEAERO COc1cc(OC)cc([C@@]2(C)CCC[NH2+]2)c1 ZINC000083020881 175011516 /nfs/dbraw/zinc/01/15/16/175011516.db2.gz RDVNTFWMOGQYGE-CYBMUJFWSA-N 1 0 221.300 2.302 10 0 BEAERO COc1cc([C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000041282037 175014328 /nfs/dbraw/zinc/01/43/28/175014328.db2.gz AIYQEQAFXZQNRR-LBPRGKRZSA-N 1 0 239.315 2.368 10 0 BEAERO COc1cc2[nH]c3c(c2cc1OC)CC[C@@H]3[NH3+] ZINC000020217083 175018934 /nfs/dbraw/zinc/01/89/34/175018934.db2.gz AKIZNNYRGQIGBR-VIFPVBQESA-N 1 0 232.283 2.131 10 0 BEAERO COc1cc2c(c(OC)c1OC)CCC[C@@H]2[NH3+] ZINC000054742702 175020064 /nfs/dbraw/zinc/02/00/64/175020064.db2.gz HWGQKXGDNDHPFW-JTQLQIEISA-N 1 0 237.299 2.049 10 0 BEAERO COc1cc2c(cc1OC)C1(CCC1)C(=[NH2+])N2 ZINC000103244964 175024164 /nfs/dbraw/zinc/02/41/64/175024164.db2.gz ZUCBRYGODKLTPZ-UHFFFAOYSA-N 1 0 232.283 2.128 10 0 BEAERO COc1cc2c(cc1OC)[C@@H](C)[NH2+][C@@H](C)C2 ZINC000082785502 175025877 /nfs/dbraw/zinc/02/58/77/175025877.db2.gz PWKFIIODJAWALD-DTWKUNHWSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc(-c2nc(C[NH3+])cs2)cc1F ZINC000071548676 175039327 /nfs/dbraw/zinc/03/93/27/175039327.db2.gz AJTOBXUCYICAKS-UHFFFAOYSA-N 1 0 238.287 2.417 10 0 BEAERO COc1ccc(-c2noc3c2C[C@H]([NH3+])CC3)cc1 ZINC000072232912 175042917 /nfs/dbraw/zinc/04/29/17/175042917.db2.gz CGFAIBZEGCIYNZ-SNVBAGLBSA-N 1 0 244.294 2.166 10 0 BEAERO COc1ccc(Br)cc1[C@@H]1C[C@H]1[NH3+] ZINC000037381716 175051540 /nfs/dbraw/zinc/05/15/40/175051540.db2.gz UGKJUJQEBHSVRC-IONNQARKSA-N 1 0 242.116 2.272 10 0 BEAERO COc1ccc(C(=O)C2CC[NH2+]CC2)cc1F ZINC000035424070 175052893 /nfs/dbraw/zinc/05/28/93/175052893.db2.gz NXRFLJILEIKIGG-UHFFFAOYSA-N 1 0 237.274 2.017 10 0 BEAERO COc1ccc(C(=O)CC[NH2+]C2CC2)cc1 ZINC000049817158 175054022 /nfs/dbraw/zinc/05/40/22/175054022.db2.gz KFZUNGSHARHYCP-UHFFFAOYSA-N 1 0 219.284 2.020 10 0 BEAERO COc1ccc(C(=O)CC[NH2+]C2CC2)cc1C ZINC000049822917 175054186 /nfs/dbraw/zinc/05/41/86/175054186.db2.gz UDCONRUGBIAANQ-UHFFFAOYSA-N 1 0 233.311 2.328 10 0 BEAERO COc1ccc(C(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000019779682 175066106 /nfs/dbraw/zinc/06/61/06/175066106.db2.gz VAHRIUMMZLTULH-UHFFFAOYSA-N 1 0 241.290 2.385 10 0 BEAERO COc1ccc(C(=O)[C@H]2CCCC[NH2+]2)cc1C ZINC000058327588 175066354 /nfs/dbraw/zinc/06/63/54/175066354.db2.gz UZUJCUKKCACHQG-GFCCVEGCSA-N 1 0 233.311 2.328 10 0 BEAERO COc1ccc(C)cc1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000058327590 175074117 /nfs/dbraw/zinc/07/41/17/175074117.db2.gz YDWZUCVRYWDOCK-LBPRGKRZSA-N 1 0 233.311 2.328 10 0 BEAERO COc1ccc(C)cc1COC[C@@H]1CC[NH2+]C1 ZINC000051888506 175076090 /nfs/dbraw/zinc/07/60/90/175076090.db2.gz XUHPFWZUIBQPLL-GFCCVEGCSA-N 1 0 235.327 2.130 10 0 BEAERO COc1ccc(C)cc1C[C@H]1CSC[C@H]1[NH3+] ZINC000098092349 175077174 /nfs/dbraw/zinc/07/71/74/175077174.db2.gz YGHAUYYGVOCDFM-NWDGAFQWSA-N 1 0 237.368 2.236 10 0 BEAERO COc1ccc(C)cc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000019409863 175077740 /nfs/dbraw/zinc/07/77/40/175077740.db2.gz NMWQNOGBYGLKQY-LLVKDONJSA-N 1 0 248.326 2.084 10 0 BEAERO COc1ccc(C)cc1NC[C@H](C)CC[NH3+] ZINC000049818998 175078300 /nfs/dbraw/zinc/07/83/00/175078300.db2.gz SXTMOJPDYZNZSM-LLVKDONJSA-N 1 0 222.332 2.400 10 0 BEAERO COc1ccc(C)cc1N[C@H]1CCC[NH2+]C1 ZINC000043324110 175078302 /nfs/dbraw/zinc/07/83/02/175078302.db2.gz ZDJSOSCAPQPCIN-NSHDSACASA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(C)cc1NC[C@@H]1CCC[NH2+]C1 ZINC000041264120 175078633 /nfs/dbraw/zinc/07/86/33/175078633.db2.gz PCVAQGVCVPRNNC-GFCCVEGCSA-N 1 0 234.343 2.415 10 0 BEAERO COc1ccc(C)cc1N[C@@H]1CC[N@H+](C)C1 ZINC000061984611 175078738 /nfs/dbraw/zinc/07/87/38/175078738.db2.gz GPDWXCOYVKNZON-LLVKDONJSA-N 1 0 220.316 2.120 10 0 BEAERO COc1ccc(C)cc1[C@@H](O)[C@@H]1CCCC[NH2+]1 ZINC000070248604 175080600 /nfs/dbraw/zinc/08/06/00/175080600.db2.gz KVTDOGMVYYVNSC-GXTWGEPZSA-N 1 0 235.327 2.179 10 0 BEAERO COc1ccc(C)cc1[C@H](N)C[N@@H+]1CCC[C@@H]1C ZINC000037910607 175082219 /nfs/dbraw/zinc/08/22/19/175082219.db2.gz IRVXNLMDNYTGGQ-GXTWGEPZSA-N 1 0 248.370 2.488 10 0 BEAERO COc1ccc(C)cc1[C@]1(C)C[C@H]1C[NH3+] ZINC000054588032 175082727 /nfs/dbraw/zinc/08/27/27/175082727.db2.gz CKVCHVXMTWEODT-GXFFZTMASA-N 1 0 205.301 2.240 10 0 BEAERO COc1ccc(CC[NH2+][C@@H](C)c2cc[nH]n2)cc1 ZINC000037906451 175091243 /nfs/dbraw/zinc/09/12/43/175091243.db2.gz YVCKGTUKTDBBTO-NSHDSACASA-N 1 0 245.326 2.312 10 0 BEAERO COc1ccc(CC[NH2+][C@H](C)c2cc[nH]n2)cc1 ZINC000037906452 175092897 /nfs/dbraw/zinc/09/28/97/175092897.db2.gz YVCKGTUKTDBBTO-LLVKDONJSA-N 1 0 245.326 2.312 10 0 BEAERO COc1ccc(CN(C)CC[NH2+]C(C)C)cc1 ZINC000042307958 175095235 /nfs/dbraw/zinc/09/52/35/175095235.db2.gz BVGDBFZZVYQNKH-UHFFFAOYSA-N 1 0 236.359 2.125 10 0 BEAERO COc1ccc(C[NH3+])c(OC2CCCC2)c1 ZINC000040888158 175096871 /nfs/dbraw/zinc/09/68/71/175096871.db2.gz MKELBHHNHHGOFB-UHFFFAOYSA-N 1 0 221.300 2.475 10 0 BEAERO COc1ccc(C[NH2+]C(C)(C)C)cc1O ZINC000022144628 175106025 /nfs/dbraw/zinc/10/60/25/175106025.db2.gz LUXNDZXBBXFSRU-UHFFFAOYSA-N 1 0 209.289 2.289 10 0 BEAERO COc1ccc(COc2ccc(C[NH3+])cn2)cc1 ZINC000019965610 175114564 /nfs/dbraw/zinc/11/45/64/175114564.db2.gz KJQIRMKXMHWFKM-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1ccc(C[C@@H]([NH3+])Cc2ccco2)cc1 ZINC000011599715 175115488 /nfs/dbraw/zinc/11/54/88/175115488.db2.gz XFFLNZBEWVFKHM-GFCCVEGCSA-N 1 0 231.295 2.401 10 0 BEAERO COc1ccc(C[C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000037947431 175115511 /nfs/dbraw/zinc/11/55/11/175115511.db2.gz GCKLLJCOWPRSAU-RKDXNWHRSA-N 1 0 211.280 2.360 10 0 BEAERO COc1ccc(C[C@@H](C)[C@H](C)[NH3+])cc1F ZINC000037947433 175115610 /nfs/dbraw/zinc/11/56/10/175115610.db2.gz GCKLLJCOWPRSAU-BDAKNGLRSA-N 1 0 211.280 2.360 10 0 BEAERO COc1ccc(Cl)c2sc(C[NH3+])nc21 ZINC000031894695 175119298 /nfs/dbraw/zinc/11/92/98/175119298.db2.gz DYGGEOIPUIUAPY-UHFFFAOYSA-N 1 0 228.704 2.417 10 0 BEAERO COc1ccc(Cl)cc1C1(C[NH3+])CC1 ZINC000020429524 175120746 /nfs/dbraw/zinc/12/07/46/175120746.db2.gz YREXJASHTNSUDM-UHFFFAOYSA-N 1 0 211.692 2.339 10 0 BEAERO COc1ccc(Cl)cc1N1CC[C@@H](C[NH3+])C1 ZINC000011891647 175120992 /nfs/dbraw/zinc/12/09/92/175120992.db2.gz VEBHFADJPBTJOE-VIFPVBQESA-N 1 0 240.734 2.134 10 0 BEAERO COc1ccc(Cl)cc1[C@H]1CC[NH2+]C1 ZINC000049815067 175122754 /nfs/dbraw/zinc/12/27/54/175122754.db2.gz GHHKFBXEDLKXCW-QMMMGPOBSA-N 1 0 211.692 2.426 10 0 BEAERO COc1ccc(Cl)cc1[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000036164536 175123063 /nfs/dbraw/zinc/12/30/63/175123063.db2.gz SKBBFGOMBCRYPE-JQWIXIFHSA-N 1 0 241.718 2.134 10 0 BEAERO COc1ccc(F)cc1[C@@]1(C)CCC[NH2+]1 ZINC000096869340 175133085 /nfs/dbraw/zinc/13/30/85/175133085.db2.gz IQXPERDAAMEEHR-GFCCVEGCSA-N 1 0 209.264 2.433 10 0 BEAERO COc1ccc(F)cc1[C@H](O)C[NH2+]CC(C)C ZINC000049830554 175134027 /nfs/dbraw/zinc/13/40/27/175134027.db2.gz IEMIIGLIMJJYJZ-GFCCVEGCSA-N 1 0 241.306 2.113 10 0 BEAERO COc1ccc(F)cc1[C@H]1CC[C@@H]([NH3+])C1 ZINC000077303202 175134101 /nfs/dbraw/zinc/13/41/01/175134101.db2.gz SHLAHWHQAJKNAX-WCBMZHEXSA-N 1 0 209.264 2.429 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000062230749 175134170 /nfs/dbraw/zinc/13/41/70/175134170.db2.gz KROJTLYVVPAFCR-NOZJJQNGSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc(F)cc1[C@H]([NH3+])[C@@H]1CCCO1 ZINC000034957121 175134768 /nfs/dbraw/zinc/13/47/68/175134768.db2.gz YFNJZZIQNWWDQN-RYUDHWBXSA-N 1 0 225.263 2.013 10 0 BEAERO COc1ccc(N(C)c2ncc(C[NH3+])s2)cc1 ZINC000054897580 175136169 /nfs/dbraw/zinc/13/61/69/175136169.db2.gz CLKKGDBUHGIFKJ-UHFFFAOYSA-N 1 0 249.339 2.378 10 0 BEAERO COc1ccc(NC(=O)CC[C@H](C)C[NH3+])cc1 ZINC000076619212 175141477 /nfs/dbraw/zinc/14/14/77/175141477.db2.gz OTRRLVLGIOSTGQ-JTQLQIEISA-N 1 0 236.315 2.009 10 0 BEAERO COc1ccc(NC(=O)[C@@H](C)CCC[NH3+])cc1 ZINC000076619144 175144778 /nfs/dbraw/zinc/14/47/78/175144778.db2.gz MVXFNGYMGLDYEE-JTQLQIEISA-N 1 0 236.315 2.009 10 0 BEAERO COc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1C ZINC000049531971 175145761 /nfs/dbraw/zinc/14/57/61/175145761.db2.gz QKWNBYMYYPALPY-LBPRGKRZSA-N 1 0 248.326 2.084 10 0 BEAERO COc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1C ZINC000049531972 175146621 /nfs/dbraw/zinc/14/66/21/175146621.db2.gz QKWNBYMYYPALPY-GFCCVEGCSA-N 1 0 248.326 2.084 10 0 BEAERO COc1ccc(NC(=O)[C@@](C)([NH3+])C2CC2)c(C)c1 ZINC000061568196 175146630 /nfs/dbraw/zinc/14/66/30/175146630.db2.gz ZLAIYFFIUKFRJB-AWEZNQCLSA-N 1 0 248.326 2.070 10 0 BEAERO COc1ccc(NCC[NH+](C)C)cc1Cl ZINC000020041199 175150578 /nfs/dbraw/zinc/15/05/78/175150578.db2.gz IVFANUDNNAKDBC-UHFFFAOYSA-N 1 0 228.723 2.322 10 0 BEAERO COc1ccc(NCc2c[nH]cn2)cc1F ZINC000054764041 175151749 /nfs/dbraw/zinc/15/17/49/175151749.db2.gz NZGZRUQTPHRQHU-UHFFFAOYSA-N 1 0 221.235 2.170 10 0 BEAERO COc1ccc(N[C@@H](C[NH3+])c2ccco2)cc1 ZINC000057520333 175154388 /nfs/dbraw/zinc/15/43/88/175154388.db2.gz HOEAJYSWQYYVPF-LBPRGKRZSA-N 1 0 232.283 2.400 10 0 BEAERO COc1ccc(N[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000061984501 175155280 /nfs/dbraw/zinc/15/52/80/175155280.db2.gz JISPCNMADPARFC-JTQLQIEISA-N 1 0 240.734 2.465 10 0 BEAERO COc1ccc(N[C@H]2CCC[NH2+]C2)cc1C ZINC000043327619 175155434 /nfs/dbraw/zinc/15/54/34/175155434.db2.gz OTWVULPMIFQMJQ-LBPRGKRZSA-N 1 0 220.316 2.168 10 0 BEAERO COc1ccc(Nc2cc(N)cc[nH+]2)cc1OC ZINC000043568613 175156159 /nfs/dbraw/zinc/15/61/59/175156159.db2.gz HZIMFKHTNVZKPN-UHFFFAOYSA-N 1 0 245.282 2.425 10 0 BEAERO COc1ccc(Nc2cc(N)cc[nH+]2)cc1 ZINC000043568516 175156183 /nfs/dbraw/zinc/15/61/83/175156183.db2.gz OPKRDKGCVSAWJZ-UHFFFAOYSA-N 1 0 215.256 2.416 10 0 BEAERO COc1ccc(OC)c(C(C)(C)CC[NH3+])c1 ZINC000041242741 175164747 /nfs/dbraw/zinc/16/47/47/175164747.db2.gz PHLTWQJZYHRHQC-UHFFFAOYSA-N 1 0 223.316 2.330 10 0 BEAERO COc1ccc(OC)c(C[C@@H]2CCC[NH2+]C2)c1 ZINC000011630913 175166129 /nfs/dbraw/zinc/16/61/29/175166129.db2.gz OODKWQSYHZYDEP-NSHDSACASA-N 1 0 235.327 2.246 10 0 BEAERO COc1ccc(OC)c(C[C@@H](C[NH3+])C(C)C)c1 ZINC000041278956 175166178 /nfs/dbraw/zinc/16/61/78/175166178.db2.gz BXYZZILIZWBRIK-LBPRGKRZSA-N 1 0 237.343 2.477 10 0 BEAERO COc1ccc(OC)c([C@H](C)[C@@H](C)C[NH3+])c1 ZINC000082362347 175168972 /nfs/dbraw/zinc/16/89/72/175168972.db2.gz AUAZKFMBOCMSFD-VHSXEESVSA-N 1 0 223.316 2.402 10 0 BEAERO COc1ccc(OC)c([C@H](C)[C@H](C)C[NH3+])c1 ZINC000082362348 175168997 /nfs/dbraw/zinc/16/89/97/175168997.db2.gz AUAZKFMBOCMSFD-NXEZZACHSA-N 1 0 223.316 2.402 10 0 BEAERO COc1ccc([C@@H](CN)[N@H+](C)CC(C)C)cc1 ZINC000020225878 175178376 /nfs/dbraw/zinc/17/83/76/175178376.db2.gz UQEISUBSXJNOJA-CQSZACIVSA-N 1 0 236.359 2.283 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2cccn2C)cc1 ZINC000011848697 175180192 /nfs/dbraw/zinc/18/01/92/175180192.db2.gz ZGTCQHNIYNWHCC-CYBMUJFWSA-N 1 0 216.284 2.082 10 0 BEAERO COc1ccc([C@@H]([NH3+])c2ccoc2)c(F)c1 ZINC000036766499 175180293 /nfs/dbraw/zinc/18/02/93/175180293.db2.gz FZYQIMZGWUKPLU-LBPRGKRZSA-N 1 0 221.231 2.475 10 0 BEAERO COc1ccc([C@@H](O)CC[NH2+]C2CC2)cc1F ZINC000049829675 175180814 /nfs/dbraw/zinc/18/08/14/175180814.db2.gz JJYAQGDLBMVITO-LBPRGKRZSA-N 1 0 239.290 2.010 10 0 BEAERO COc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1F ZINC000049830549 175180879 /nfs/dbraw/zinc/18/08/79/175180879.db2.gz OUMZHVHIHXEAGX-NSHDSACASA-N 1 0 241.306 2.256 10 0 BEAERO COc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1C ZINC000032014637 175181369 /nfs/dbraw/zinc/18/13/69/175181369.db2.gz WCFVKVQRMONDAW-QWHCGFSZSA-N 1 0 223.316 2.020 10 0 BEAERO COc1ccc([C@@H]([C@H](C)[NH3+])N(C)C2CC2)cc1 ZINC000042960665 175181624 /nfs/dbraw/zinc/18/16/24/175181624.db2.gz HOYLQPRHMUUTMS-IINYFYTJSA-N 1 0 234.343 2.178 10 0 BEAERO COc1ccc([C@@H](OCC[NH3+])C2CC2)cc1F ZINC000071549334 175182013 /nfs/dbraw/zinc/18/20/13/175182013.db2.gz GTXNGGQLZXSIBT-ZDUSSCGKSA-N 1 0 239.290 2.261 10 0 BEAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)C2)c(OC)c1 ZINC000070586519 175184401 /nfs/dbraw/zinc/18/44/01/175184401.db2.gz REVMKZOMMGPMQL-UWVGGRQHSA-N 1 0 221.300 2.169 10 0 BEAERO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1OC ZINC000003704342 175184665 /nfs/dbraw/zinc/18/46/65/175184665.db2.gz ILJAPFMCQKWPQI-KOLCDFICSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@@H]2[NH2+]CC[C@H]2C)cc1OC ZINC000003733635 175185035 /nfs/dbraw/zinc/18/50/35/175185035.db2.gz CRCKHFKGXGLRSG-NOZJJQNGSA-N 1 0 221.300 2.374 10 0 BEAERO COc1ccc([C@@](C)([NH3+])c2cncc(F)c2)cc1 ZINC000049576010 175186232 /nfs/dbraw/zinc/18/62/32/175186232.db2.gz HIWRUDNTGRJVEU-CQSZACIVSA-N 1 0 246.285 2.452 10 0 BEAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367683801 175189578 /nfs/dbraw/zinc/18/95/78/175189578.db2.gz DRAWNJSOMYKDTA-FBUXBERBSA-N 1 0 247.338 2.238 10 0 BEAERO COc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2)cc1F ZINC000038005942 175189848 /nfs/dbraw/zinc/18/98/48/175189848.db2.gz PEYNTIGMELZFMK-VIFPVBQESA-N 1 0 249.289 2.408 10 0 BEAERO COc1ccc([C@H]([NH3+])C2CCOCC2)cc1 ZINC000061671350 175191310 /nfs/dbraw/zinc/19/13/10/175191310.db2.gz QGVQOCJNKXAXSG-ZDUSSCGKSA-N 1 0 221.300 2.122 10 0 BEAERO COc1ccc([C@H]([NH3+])C[C@@H]2CCCO2)cc1 ZINC000037466792 175191669 /nfs/dbraw/zinc/19/16/69/175191669.db2.gz GPNBIQBZCVOJJL-QWHCGFSZSA-N 1 0 221.300 2.264 10 0 BEAERO COc1ccc([C@H]([NH3+])CSC)cc1F ZINC000055264805 175191817 /nfs/dbraw/zinc/19/18/17/175191817.db2.gz WRODLFMFJOFPGV-SECBINFHSA-N 1 0 215.293 2.197 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@H]2CCCCO2)cc1 ZINC000050960631 175192025 /nfs/dbraw/zinc/19/20/25/175192025.db2.gz NHXUGZQWFDXBTC-OLZOCXBDSA-N 1 0 221.300 2.264 10 0 BEAERO COc1ccc([C@H]([NH3+])[C@H]2CCOC2)cc1Cl ZINC000048622951 175192904 /nfs/dbraw/zinc/19/29/04/175192904.db2.gz QTPCPDZUJQERCO-CABZTGNLSA-N 1 0 241.718 2.385 10 0 BEAERO COc1ccc([C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000020438643 175194961 /nfs/dbraw/zinc/19/49/61/175194961.db2.gz DTEZNROPXJGMPM-JTQLQIEISA-N 1 0 221.300 2.171 10 0 BEAERO COc1ccc([C@H]2CC[C@H]([NH3+])C2)c(OC)c1 ZINC000057513881 175196098 /nfs/dbraw/zinc/19/60/98/175196098.db2.gz RNNHWAPUVXCBNI-UWVGGRQHSA-N 1 0 221.300 2.299 10 0 BEAERO COc1ccc([C@H]2CSCC[NH2+]2)cc1F ZINC000041248315 175197033 /nfs/dbraw/zinc/19/70/33/175197033.db2.gz QBDSAXAOIMUVSF-SNVBAGLBSA-N 1 0 227.304 2.212 10 0 BEAERO COc1ccc([C@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)cc1 ZINC000072415341 175198017 /nfs/dbraw/zinc/19/80/17/175198017.db2.gz HJLYZPQCRBLZAL-ZWNOBZJWSA-N 1 0 243.310 2.148 10 0 BEAERO COc1ccc([C@H]2OCCC[NH2+][C@H]2C)cc1 ZINC000035598756 175198908 /nfs/dbraw/zinc/19/89/08/175198908.db2.gz XUIXGBUFDWBHHY-GWCFXTLKSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccc([C@H]2OCCC[NH2+][C@@H]2C)cc1 ZINC000035598755 175199132 /nfs/dbraw/zinc/19/91/32/175199132.db2.gz XUIXGBUFDWBHHY-MFKMUULPSA-N 1 0 221.300 2.135 10 0 BEAERO COc1ccc([C@](C)([NH3+])c2cncc(F)c2)cc1 ZINC000049576011 175199796 /nfs/dbraw/zinc/19/97/96/175199796.db2.gz HIWRUDNTGRJVEU-AWEZNQCLSA-N 1 0 246.285 2.452 10 0 BEAERO COc1ccc([C@]2(C)C[C@@H]2C[NH3+])cc1F ZINC000054587396 175200371 /nfs/dbraw/zinc/20/03/71/175200371.db2.gz ADANGWMSLZGLQQ-SKDRFNHKSA-N 1 0 209.264 2.071 10 0 BEAERO COc1ccc2[nH]cc([C@H](C)C[NH3+])c2c1 ZINC000002035314 175203004 /nfs/dbraw/zinc/20/30/04/175203004.db2.gz PLKJXFPRSHOODN-MRVPVSSYSA-N 1 0 204.273 2.239 10 0 BEAERO COc1ccc2c(CC[NH3+])csc2c1 ZINC000034123637 175205007 /nfs/dbraw/zinc/20/50/07/175205007.db2.gz YKFQZVCZPMMLFA-UHFFFAOYSA-N 1 0 207.298 2.411 10 0 BEAERO COc1ccc2c(c1)CC[NH2+][C@@H]2c1ccccn1 ZINC000003703137 175209034 /nfs/dbraw/zinc/20/90/34/175209034.db2.gz BBZRKCFLHGWGMU-HNNXBMFYSA-N 1 0 240.306 2.325 10 0 BEAERO COc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)[C@@H]2N ZINC000019394988 175209614 /nfs/dbraw/zinc/20/96/14/175209614.db2.gz OJMFIOXFHYFRTA-HUUCEWRRSA-N 1 0 246.354 2.106 10 0 BEAERO COc1ccc2c(c1)[C@H]1CC[C@]([NH3+])(C1)C2 ZINC000027550601 175217282 /nfs/dbraw/zinc/21/72/82/175217282.db2.gz YRCNLROYXCCGJM-GXFFZTMASA-N 1 0 203.285 2.216 10 0 BEAERO COc1ccc2c(c1)nc([C@@H]1CCCC[NH2+]1)n2C ZINC000075869225 175219992 /nfs/dbraw/zinc/21/99/92/175219992.db2.gz AKKBPEHLGIVLQA-NSHDSACASA-N 1 0 245.326 2.397 10 0 BEAERO COc1ccc2c(c1)nc([C@@H]([NH3+])C(C)C)n2C ZINC000075854249 175220114 /nfs/dbraw/zinc/22/01/14/175220114.db2.gz WHANWLKSPWMCBJ-LBPRGKRZSA-N 1 0 233.315 2.238 10 0 BEAERO COc1ccc2cc([C@@H](C[NH3+])N(C)C)ccc2c1 ZINC000019255871 175225080 /nfs/dbraw/zinc/22/50/80/175225080.db2.gz LXOUQZLCFHTHHK-OAHLLOKOSA-N 1 0 244.338 2.410 10 0 BEAERO COc1ccc2ccccc2c1[C@H](O)[C@H](C)[NH3+] ZINC000037290037 175226981 /nfs/dbraw/zinc/22/69/81/175226981.db2.gz IPUGESOQARFGAH-LKFCYVNXSA-N 1 0 231.295 2.229 10 0 BEAERO COc1ccc2[nH]c(SCCC[NH3+])nc2c1 ZINC000019811136 175229456 /nfs/dbraw/zinc/22/94/56/175229456.db2.gz XMNWHABVJJMZMI-UHFFFAOYSA-N 1 0 237.328 2.012 10 0 BEAERO COc1ccc2oc([C@H]3CCC[NH2+]C3)nc2c1 ZINC000062530655 175231773 /nfs/dbraw/zinc/23/17/73/175231773.db2.gz DZANTUPLEGKWKM-VIFPVBQESA-N 1 0 232.283 2.303 10 0 BEAERO COc1cccc(-c2ccc(C[NH3+])o2)c1 ZINC000040169508 175234770 /nfs/dbraw/zinc/23/47/70/175234770.db2.gz YFWACUKHOIORSM-UHFFFAOYSA-N 1 0 203.241 2.414 10 0 BEAERO COc1cccc(-c2cncc(C[NH3+])c2)c1 ZINC000082642477 175234841 /nfs/dbraw/zinc/23/48/41/175234841.db2.gz GJUUKNYKIRPRRR-UHFFFAOYSA-N 1 0 214.268 2.216 10 0 BEAERO COc1cccc(COc2ccnc(C[NH3+])c2)c1 ZINC000051522453 175269885 /nfs/dbraw/zinc/26/98/85/175269885.db2.gz RZVQYCRPLVKJTK-UHFFFAOYSA-N 1 0 244.294 2.128 10 0 BEAERO COc1cccc(C[C@@H]([NH3+])CC2CCOCC2)c1 ZINC000053831240 175271949 /nfs/dbraw/zinc/27/19/49/175271949.db2.gz CPLMBQWWFGDLBX-AWEZNQCLSA-N 1 0 249.354 2.382 10 0 BEAERO COc1cccc(N(CC[NH3+])Cc2ccco2)c1 ZINC000020238659 175274893 /nfs/dbraw/zinc/27/48/93/175274893.db2.gz JVXRCYNYYGVGTI-UHFFFAOYSA-N 1 0 246.310 2.254 10 0 BEAERO COc1cccc(N2C[C@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049665509 175275754 /nfs/dbraw/zinc/27/57/54/175275754.db2.gz YEHIDZDMYKCASB-BETUJISGSA-N 1 0 248.370 2.377 10 0 BEAERO COc1cccc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000019428972 175277471 /nfs/dbraw/zinc/27/74/71/175277471.db2.gz GBECEXPNPZBRNT-MNOVXSKESA-N 1 0 248.326 2.022 10 0 BEAERO COc1cccc(NCC2CC[NH2+]CC2)c1 ZINC000041234282 175277807 /nfs/dbraw/zinc/27/78/07/175277807.db2.gz SYKZIFLJCRDWKE-UHFFFAOYSA-N 1 0 220.316 2.107 10 0 BEAERO COc1cccc(NC[C@H](C)CC[NH3+])c1 ZINC000049814316 175279506 /nfs/dbraw/zinc/27/95/06/175279506.db2.gz WKVFFKCEBVXQRG-SNVBAGLBSA-N 1 0 208.305 2.092 10 0 BEAERO COc1cccc(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000041234288 175279523 /nfs/dbraw/zinc/27/95/23/175279523.db2.gz CCGQAOUXFOJHPJ-LLVKDONJSA-N 1 0 220.316 2.107 10 0 BEAERO COc1cccc(N[C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000104122314 175279958 /nfs/dbraw/zinc/27/99/58/175279958.db2.gz USMYESIYYMKKDM-WDEREUQCSA-N 1 0 235.331 2.162 10 0 BEAERO COc1cccc(N[C@@H](C[NH3+])c2ccco2)c1 ZINC000057520328 175280332 /nfs/dbraw/zinc/28/03/32/175280332.db2.gz OCSGMVVHBUPSPS-LBPRGKRZSA-N 1 0 232.283 2.400 10 0 BEAERO COc1cccc(OC)c1C[NH2+][C@H]1C[C@@H]1C ZINC000286721588 175281644 /nfs/dbraw/zinc/28/16/44/175281644.db2.gz XHNOHWXSXCKKSF-ONGXEEELSA-N 1 0 221.300 2.202 10 0 BEAERO COc1cccc(OCC[C@@H]([NH3+])C(C)C)c1 ZINC000032014693 175283380 /nfs/dbraw/zinc/28/33/80/175283380.db2.gz XNZNYXVLXKDWPG-CYBMUJFWSA-N 1 0 223.316 2.447 10 0 BEAERO COc1cccc(OCc2ccoc2C[NH3+])c1 ZINC000052655104 175284224 /nfs/dbraw/zinc/28/42/24/175284224.db2.gz IGYMFLUOHRJGEZ-UHFFFAOYSA-N 1 0 233.267 2.326 10 0 BEAERO COc1cccc([C@@H](C)N2CCC[NH2+]CC2)c1 ZINC000022100340 175286542 /nfs/dbraw/zinc/28/65/42/175286542.db2.gz AEIWTZOUUDSJGJ-GFCCVEGCSA-N 1 0 234.343 2.052 10 0 BEAERO COc1cccc([C@@H]([NH3+])c2cccnc2)c1OC ZINC000041656124 175289253 /nfs/dbraw/zinc/28/92/53/175289253.db2.gz JMYADHFEQKSJJS-ZDUSSCGKSA-N 1 0 244.294 2.147 10 0 BEAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C(C)C)c1 ZINC000043025663 175289785 /nfs/dbraw/zinc/28/97/85/175289785.db2.gz UWJAISODSCWBJR-BXUZGUMPSA-N 1 0 236.359 2.424 10 0 BEAERO COc1cccc([C@@H]2C[NH2+]C[C@H](C)C2)c1OC ZINC000083109981 175291115 /nfs/dbraw/zinc/29/11/15/175291115.db2.gz XWWLGEZPALXKDO-MNOVXSKESA-N 1 0 235.327 2.417 10 0 BEAERO COc1cccc([C@H](C)[NH2+]CCN(C)C2CC2)c1 ZINC000061992745 175293555 /nfs/dbraw/zinc/29/35/55/175293555.db2.gz UIGRDFXFKGNHAB-LBPRGKRZSA-N 1 0 248.370 2.440 10 0 BEAERO COc1cccc([C@H](C)[NH2+]Cc2ccnn2C)c1 ZINC000037771537 175293605 /nfs/dbraw/zinc/29/36/05/175293605.db2.gz CQLIHXZQPNNZJJ-NSHDSACASA-N 1 0 245.326 2.280 10 0 BEAERO COc1cccc([C@H](C[NH3+])N2CC[C@@H](C)C2)c1 ZINC000040717493 175294117 /nfs/dbraw/zinc/29/41/17/175294117.db2.gz ZOELWTMJKQLPRC-RISCZKNCSA-N 1 0 234.343 2.037 10 0 BEAERO COc1cccc([C@H](CCC[NH3+])OC)c1 ZINC000049814584 175294437 /nfs/dbraw/zinc/29/44/37/175294437.db2.gz HQWKGXJTSSYKKK-LBPRGKRZSA-N 1 0 209.289 2.122 10 0 BEAERO COc1cccc([C@H]2C[NH2+]CCS2)c1 ZINC000041218903 175295648 /nfs/dbraw/zinc/29/56/48/175295648.db2.gz UZPFXPXQLTUAKF-LLVKDONJSA-N 1 0 209.314 2.073 10 0 BEAERO COc1cccc2c1OC(C)(C)C[C@@H]2[NH3+] ZINC000082377930 175303887 /nfs/dbraw/zinc/30/38/87/175303887.db2.gz RYBMZXJFUOLJOV-VIFPVBQESA-N 1 0 207.273 2.256 10 0 BEAERO COc1cccc2c1OC[C@@H]2[NH2+]C(C)C ZINC000035652573 175304917 /nfs/dbraw/zinc/30/49/17/175304917.db2.gz HYQLFUFOYCMHPF-JTQLQIEISA-N 1 0 207.273 2.127 10 0 BEAERO COc1ccccc1CN(C)C(=[NH2+])NCC(C)C ZINC000052038773 175324463 /nfs/dbraw/zinc/32/44/63/175324463.db2.gz QYXMXXAQTYPYMK-UHFFFAOYSA-N 1 0 249.358 2.307 10 0 BEAERO COc1ccccc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000294930709 175327251 /nfs/dbraw/zinc/32/72/51/175327251.db2.gz GFJMSGGDEGSOQI-YPMHNXCESA-N 1 0 235.327 2.040 10 0 BEAERO COc1ccccc1C[C@@H]([NH3+])C1(C)CC1 ZINC000082379424 175332460 /nfs/dbraw/zinc/33/24/60/175332460.db2.gz RBWPTJZODKMYBD-GFCCVEGCSA-N 1 0 205.301 2.365 10 0 BEAERO COc1ccccc1NCC1CC[NH2+]CC1 ZINC000041234281 175337405 /nfs/dbraw/zinc/33/74/05/175337405.db2.gz VGFPWJNOJMCODH-UHFFFAOYSA-N 1 0 220.316 2.107 10 0 BEAERO COc1ccccc1OC[C@@H](C[NH3+])c1cc[nH]c1 ZINC000076631361 175341688 /nfs/dbraw/zinc/34/16/88/175341688.db2.gz UQSCBCNXKAFTNS-GFCCVEGCSA-N 1 0 246.310 2.145 10 0 BEAERO COc1ccccc1[C@@H](C[NH3+])N(C)CC1CC1 ZINC000020225780 175346281 /nfs/dbraw/zinc/34/62/81/175346281.db2.gz MYJYRISYEWYOTQ-CYBMUJFWSA-N 1 0 234.343 2.037 10 0 BEAERO COc1ccccc1[C@@H]([NH3+])Cn1cnc(C)c1C ZINC000051926539 175347041 /nfs/dbraw/zinc/34/70/41/175347041.db2.gz TWGYJPJBIOHGOA-ZDUSSCGKSA-N 1 0 245.326 2.209 10 0 BEAERO COc1ccccc1[C@@H](SC)[C@@H](C)[NH3+] ZINC000043101885 175347697 /nfs/dbraw/zinc/34/76/97/175347697.db2.gz UCYIQDGPGJZZLO-KCJUWKMLSA-N 1 0 211.330 2.447 10 0 BEAERO COc1ccccc1[C@@H](N)C[NH+]1CCC(C)CC1 ZINC000023067747 175347919 /nfs/dbraw/zinc/34/79/19/175347919.db2.gz DXKYYBWUFIBTNT-AWEZNQCLSA-N 1 0 248.370 2.427 10 0 BEAERO COc1ccccc1[C@@H](N)C[N@@H+]1CCC[C@H]1C ZINC000037910671 175347946 /nfs/dbraw/zinc/34/79/46/175347946.db2.gz IKGAVYOSMPTZKE-YPMHNXCESA-N 1 0 234.343 2.179 10 0 BEAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])n1cc(C)cn1 ZINC000043098768 175348712 /nfs/dbraw/zinc/34/87/12/175348712.db2.gz DWEQTROJRABNKD-SMDDNHRTSA-N 1 0 245.326 2.137 10 0 BEAERO COc1ccccc1[C@@](C)(O)C[NH2+]CC(C)C ZINC000033466198 175349868 /nfs/dbraw/zinc/34/98/68/175349868.db2.gz OTMIZJYJFCRIHR-AWEZNQCLSA-N 1 0 237.343 2.148 10 0 BEAERO COc1ccccc1[C@@H]1Cc2n[nH]cc2[C@@H]([NH3+])C1 ZINC000072415366 175349981 /nfs/dbraw/zinc/34/99/81/175349981.db2.gz ICDZRVFYHXWMQG-CABZTGNLSA-N 1 0 243.310 2.148 10 0 BEAERO COc1ccccc1[C@H]([NH3+])c1cccnc1 ZINC000037466406 175353212 /nfs/dbraw/zinc/35/32/12/175353212.db2.gz SPJBTAMBMVFZBA-CYBMUJFWSA-N 1 0 214.268 2.138 10 0 BEAERO COc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CC1CC1 ZINC000043097793 175354790 /nfs/dbraw/zinc/35/47/90/175354790.db2.gz DRCUNDYVCOMRHP-NHYWBVRUSA-N 1 0 248.370 2.425 10 0 BEAERO COc1ccccc1[C@](C)([NH3+])C[C@H]1CCCO1 ZINC000053757860 175355085 /nfs/dbraw/zinc/35/50/85/175355085.db2.gz PIGSUSLOMFEYRH-BXUZGUMPSA-N 1 0 235.327 2.438 10 0 BEAERO COc1ccnc(C[NH2+]CCC(C)C)c1OC ZINC000058824398 175359993 /nfs/dbraw/zinc/35/99/93/175359993.db2.gz QRLGKMZBCBTZKX-UHFFFAOYSA-N 1 0 238.331 2.235 10 0 BEAERO COc1ccnc(Nc2ccccc2[C@@H](C)[NH3+])n1 ZINC000104312939 175367889 /nfs/dbraw/zinc/36/78/89/175367889.db2.gz BVIPCOJLTFIHNU-SECBINFHSA-N 1 0 244.298 2.249 10 0 BEAERO CSCCCC[NH2+][C@H](C)Cn1cccn1 ZINC000122660141 175475951 /nfs/dbraw/zinc/47/59/51/175475951.db2.gz OBGBSUQFCKZSKJ-LLVKDONJSA-N 1 0 227.377 2.004 10 0 BEAERO CSc1ccc([C@@]2(C)C[C@@]2(C[NH3+])CO)cc1 ZINC000070500708 175578157 /nfs/dbraw/zinc/57/81/57/175578157.db2.gz XHQZJPHUSGFVDA-CHWSQXEVSA-N 1 0 237.368 2.007 10 0 BEAERO CSc1ccc([C@@]2(C)C[C@]2(C[NH3+])CO)cc1 ZINC000070500711 175578125 /nfs/dbraw/zinc/57/81/25/175578125.db2.gz XHQZJPHUSGFVDA-OLZOCXBDSA-N 1 0 237.368 2.007 10 0 BEAERO C[C@@H](CC[NH2+]CCn1cncn1)c1ccccc1 ZINC000278916105 175675800 /nfs/dbraw/zinc/67/58/00/175675800.db2.gz UCBLPVGFWNUCRD-ZDUSSCGKSA-N 1 0 244.342 2.062 10 0 BEAERO C[C@@H](C[NH3+])CCOc1cccc(N(C)C)c1 ZINC000041241487 175706782 /nfs/dbraw/zinc/70/67/82/175706782.db2.gz SPALKTQJOKIKLG-LLVKDONJSA-N 1 0 222.332 2.116 10 0 BEAERO C[C@@H](C[NH3+])COc1ccc(F)c(Cl)c1 ZINC000070065113 175707967 /nfs/dbraw/zinc/70/79/67/175707967.db2.gz SUYVNRBKDNPDLR-ZETCQYMHSA-N 1 0 217.671 2.453 10 0 BEAERO C[C@@H](C[NH3+])Sc1nc2ccccc2[nH]1 ZINC000043514665 175711732 /nfs/dbraw/zinc/71/17/32/175711732.db2.gz VDAZCPHUXGNVCV-ZETCQYMHSA-N 1 0 207.302 2.002 10 0 BEAERO C[C@@H](N(C)C(=O)[C@H]1CCCC[C@@H]1[NH3+])C(C)(C)C ZINC000055089584 175791028 /nfs/dbraw/zinc/79/10/28/175791028.db2.gz VCDHJEHRUXIJOC-WOPDTQHZSA-N 1 0 240.391 2.397 10 0 BEAERO C[C@@H]([NH3+])Cc1nccc(-c2ccccc2)n1 ZINC000070949217 175807939 /nfs/dbraw/zinc/80/79/39/175807939.db2.gz OCSBIKZXEIKYBF-SNVBAGLBSA-N 1 0 213.284 2.033 10 0 BEAERO C[C@@H]([NH3+])[C@H](O)c1cccc(Cl)c1Cl ZINC000020216720 175812847 /nfs/dbraw/zinc/81/28/47/175812847.db2.gz ZPQPZNIPSWDAAB-ANLVUFKYSA-N 1 0 220.099 2.374 10 0 BEAERO C[C@@H]([NH3+])c1ccc(OC[C@H]2CCCO2)c(F)c1 ZINC000019873223 175817716 /nfs/dbraw/zinc/81/77/16/175817716.db2.gz HOPNKZPUDLOIKE-MWLCHTKSSA-N 1 0 239.290 2.403 10 0 BEAERO C[C@@H]([NH3+])c1cccc(OC[C@@H]2CCOC2)c1 ZINC000041045946 175818318 /nfs/dbraw/zinc/81/83/18/175818318.db2.gz AHOGSWFRWPZNQS-GHMZBOCLSA-N 1 0 221.300 2.122 10 0 BEAERO C[C@@H](NC(=O)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000035690596 175827489 /nfs/dbraw/zinc/82/74/89/175827489.db2.gz RYPHXDBIMJSCLX-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]([NH2+]C1CCS(=O)CC1)c1cccs1 ZINC000042336135 175862141 /nfs/dbraw/zinc/86/21/41/175862141.db2.gz JLIKXRQXYQPVIQ-SBTGLGLWSA-N 1 0 243.397 2.310 10 0 BEAERO C[C@@H]([NH2+]Cc1nccn1C)C1CCCCC1 ZINC000052334152 175908689 /nfs/dbraw/zinc/90/86/89/175908689.db2.gz XKWHNGNNOKMKIC-LLVKDONJSA-N 1 0 221.348 2.479 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cncc(F)c1 ZINC000222685315 175916368 /nfs/dbraw/zinc/91/63/68/175916368.db2.gz GGUFGWTXZDHXGN-KBVBSXBZSA-N 1 0 224.279 2.049 10 0 BEAERO C[C@@H]([NH2+][C@@H]1CCc2nccn2C1)C(C)(C)C ZINC000309590591 175917395 /nfs/dbraw/zinc/91/73/95/175917395.db2.gz UQGVLJGMZVYRLK-GHMZBOCLSA-N 1 0 221.348 2.222 10 0 BEAERO C[C@@H](O)C1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000235371421 175945901 /nfs/dbraw/zinc/94/59/01/175945901.db2.gz UZFFZCAGLBIIJQ-DOMZBBRYSA-N 1 0 245.366 2.419 10 0 BEAERO C[C@@H](OC(=O)C(C)(C)[NH3+])c1ccccc1 ZINC000048635949 176001403 /nfs/dbraw/zinc/00/14/03/176001403.db2.gz SQYOXDYWTUSEAM-SECBINFHSA-N 1 0 207.273 2.028 10 0 BEAERO C[C@@H](OCc1cc(C[NH3+])no1)c1ccccc1 ZINC000052624138 176002869 /nfs/dbraw/zinc/00/28/69/176002869.db2.gz MEJSYEZGMFDSQO-SNVBAGLBSA-N 1 0 232.283 2.411 10 0 BEAERO C[C@@H](OC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095068479 176003022 /nfs/dbraw/zinc/00/30/22/176003022.db2.gz UJTRIJYQNKRSJF-NXEZZACHSA-N 1 0 226.345 2.363 10 0 BEAERO C[C@@H](SCCC[NH3+])C(=O)Nc1ccccc1 ZINC000058250120 176008011 /nfs/dbraw/zinc/00/80/11/176008011.db2.gz BGXDKYRTTZHUSQ-SNVBAGLBSA-N 1 0 238.356 2.096 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)n1ccnc1-c1ccccc1 ZINC000041053933 176011000 /nfs/dbraw/zinc/01/10/00/176011000.db2.gz OIUCOUUEYTWNLQ-MNOVXSKESA-N 1 0 215.300 2.458 10 0 BEAERO C[C@@H]([C@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000022564794 176011843 /nfs/dbraw/zinc/01/18/43/176011843.db2.gz MNFCLYMKKNXXHS-AAEUAGOBSA-N 1 0 204.317 2.171 10 0 BEAERO C[C@@H]([C@@H]1CCCO1)N1Cc2ccccc2C1=[NH2+] ZINC000035736013 176012423 /nfs/dbraw/zinc/01/24/23/176012423.db2.gz JPOOYDMGBNRALP-GWCFXTLKSA-N 1 0 230.311 2.395 10 0 BEAERO C[C@@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCCCC1 ZINC000013825273 176012494 /nfs/dbraw/zinc/01/24/94/176012494.db2.gz TUBOXDVNLNZONF-FZMZJTMJSA-N 1 0 235.327 2.300 10 0 BEAERO C[C@@H](c1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000079902918 176016299 /nfs/dbraw/zinc/01/62/99/176016299.db2.gz PUHUMLDHCOHCNK-CMPLNLGQSA-N 1 0 233.311 2.171 10 0 BEAERO C[C@@H](c1ccccc1Cl)N(C)C(N)=[NH2+] ZINC000062013058 176023707 /nfs/dbraw/zinc/02/37/07/176023707.db2.gz KCIWVCKASQCBPI-ZETCQYMHSA-N 1 0 211.696 2.226 10 0 BEAERO C[C@@H](c1cccs1)N(C)C(=O)C(C)(C)[NH3+] ZINC000040923972 176032403 /nfs/dbraw/zinc/03/24/03/176032403.db2.gz DYJRSFIGACKGCH-QMMMGPOBSA-N 1 0 226.345 2.005 10 0 BEAERO C[C@@H](c1ccco1)[NH+]1CCC(CO)CC1 ZINC000074154843 176032820 /nfs/dbraw/zinc/03/28/20/176032820.db2.gz KWFUASMUGDQTFW-JTQLQIEISA-N 1 0 209.289 2.045 10 0 BEAERO C[C@@H](c1ccco1)N1CCC[NH2+][C@H](C)CC1 ZINC000044390335 176033302 /nfs/dbraw/zinc/03/33/02/176033302.db2.gz QJHOVKVZUNURQL-NEPJUHHUSA-N 1 0 222.332 2.415 10 0 BEAERO C[C@@H](c1cccs1)N1CCC[C@H]([NH3+])C1 ZINC000041027782 176034056 /nfs/dbraw/zinc/03/40/56/176034056.db2.gz GDFXQLRAYRSHNS-UWVGGRQHSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@@H](c1ccsc1)N1CCC[C@H]([NH3+])C1 ZINC000050345194 176034938 /nfs/dbraw/zinc/03/49/38/176034938.db2.gz MAOQDTVHBUZJAM-ONGXEEELSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@@H]1CCCC[N@@H+]1CC1(CO)CCCC1 ZINC000049815049 176070343 /nfs/dbraw/zinc/07/03/43/176070343.db2.gz RBUGFQAYQPRWII-GFCCVEGCSA-N 1 0 211.349 2.414 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000051791674 176080231 /nfs/dbraw/zinc/08/02/31/176080231.db2.gz BRBRJQAOPHZLIX-NDBYEHHHSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(N)=O ZINC000020052793 176080436 /nfs/dbraw/zinc/08/04/36/176080436.db2.gz LDHSYTYDTXQCNQ-RISCZKNCSA-N 1 0 246.354 2.454 10 0 BEAERO C[C@@H]1CCC[N@@H+](C2(CN)CCCC2)[C@@H]1C ZINC000050563968 176096136 /nfs/dbraw/zinc/09/61/36/176096136.db2.gz LJJKYTDIDQHBSQ-VXGBXAGGSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@@H]1CCC[N@@H+]([C@@H](CN)C2CCCC2)C1 ZINC000050272038 176103134 /nfs/dbraw/zinc/10/31/34/176103134.db2.gz VBRRQVCXQQRFPD-YPMHNXCESA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000037910269 176109521 /nfs/dbraw/zinc/10/95/21/176109521.db2.gz FHPMANAUHCRLIN-MFKMUULPSA-N 1 0 222.307 2.310 10 0 BEAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccsc1 ZINC000037910451 176110813 /nfs/dbraw/zinc/11/08/13/176110813.db2.gz SDMAHBJAIMFVAY-KOLCDFICSA-N 1 0 210.346 2.232 10 0 BEAERO C[C@@H]1CCC[N@@H+]1[C@]1(CN)CCc2ccccc2C1 ZINC000037910245 176111240 /nfs/dbraw/zinc/11/12/40/176111240.db2.gz PDBWMUGZRXSYAX-CZUORRHYSA-N 1 0 244.382 2.357 10 0 BEAERO C[C@@H]1CCCN1c1ncc(C[NH3+])cc1Cl ZINC000051396086 176111855 /nfs/dbraw/zinc/11/18/55/176111855.db2.gz HYHGDMKHCVRJPO-MRVPVSSYSA-N 1 0 225.723 2.182 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000120515117 176112215 /nfs/dbraw/zinc/11/22/15/176112215.db2.gz DUKUEAQWZXREPT-UPJWGTAASA-N 1 0 238.375 2.023 10 0 BEAERO C[C@@H]1CCC[C@@H](C(=O)NCC2CCCCC2)[NH2+]1 ZINC000037260046 176112445 /nfs/dbraw/zinc/11/24/45/176112445.db2.gz VFFRHJHIGQRLPQ-YPMHNXCESA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]CC1CC1 ZINC000037478532 176115644 /nfs/dbraw/zinc/11/56/44/176115644.db2.gz UFLBEKWBKDKIHU-VXGBXAGGSA-N 1 0 210.365 2.249 10 0 BEAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2nccn2C)[C@@H]1C ZINC000036804641 176124062 /nfs/dbraw/zinc/12/40/62/176124062.db2.gz YKEVKKSZDXCMAY-IJLUTSLNSA-N 1 0 221.348 2.334 10 0 BEAERO C[C@@H]1CCC[C@@H](Oc2ncccc2C[NH3+])C1 ZINC000026514759 176125446 /nfs/dbraw/zinc/12/54/46/176125446.db2.gz HICORWTVYGLNKO-ZYHUDNBSSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2ccccn2)C1 ZINC000036777278 176133916 /nfs/dbraw/zinc/13/39/16/176133916.db2.gz DGHICEPDLNFVCI-UKRRQHHQSA-N 1 0 247.386 2.421 10 0 BEAERO C[C@@H]1CCC[C@@]([NH2+]C2CCCCC2)(C(N)=O)C1 ZINC000037969664 176134220 /nfs/dbraw/zinc/13/42/20/176134220.db2.gz PDQJSWKTFPWRIF-RISCZKNCSA-N 1 0 238.375 2.343 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)N(C)C2CCCCC2)[NH2+]1 ZINC000019514192 176135242 /nfs/dbraw/zinc/13/52/42/176135242.db2.gz IDLATLGKYILAAP-DGCLKSJQSA-N 1 0 238.375 2.308 10 0 BEAERO C[C@@H]1CCC[C@H](C(=O)NCC2CCCCC2)[NH2+]1 ZINC000037260042 176135719 /nfs/dbraw/zinc/13/57/19/176135719.db2.gz VFFRHJHIGQRLPQ-DGCLKSJQSA-N 1 0 238.375 2.214 10 0 BEAERO C[C@@H]1CCC[C@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000062911747 176140179 /nfs/dbraw/zinc/14/01/79/176140179.db2.gz OIVQKZLRNVMPBW-HZSPNIEDSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@@H]1CCC[C@H]([NH+]2CCC(=O)CC2)[C@@H]1C ZINC000019436655 176140429 /nfs/dbraw/zinc/14/04/29/176140429.db2.gz PIMWGAJFYCFNOK-WZRBSPASSA-N 1 0 209.333 2.476 10 0 BEAERO C[C@@H]1CCC[C@H](N(C)C(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000042495033 176140501 /nfs/dbraw/zinc/14/05/01/176140501.db2.gz AXAMRHGNHTVROJ-SCDSUCTJSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2[NH3+])[C@@H]1C ZINC000247066119 176142170 /nfs/dbraw/zinc/14/21/70/176142170.db2.gz YAILROLPZHZDHL-VEGXAWMVSA-N 1 0 238.375 2.055 10 0 BEAERO C[C@@H]1CCC[C@H](NC(=O)[C@H]2[NH2+]CCC[C@H]2C)C1 ZINC000051792638 176142537 /nfs/dbraw/zinc/14/25/37/176142537.db2.gz ODGQNRJKIGGYLP-NDBYEHHHSA-N 1 0 238.375 2.069 10 0 BEAERO C[C@@H]1CCC[C@H](SCCN2CC[NH2+]CC2)C1 ZINC000054694842 176145995 /nfs/dbraw/zinc/14/59/95/176145995.db2.gz PEFBZMMUEDMPTG-OLZOCXBDSA-N 1 0 242.432 2.204 10 0 BEAERO C[C@@H]1CCC[C@]([NH3+])(c2noc(C(F)(F)F)n2)C1 ZINC000036764989 176151995 /nfs/dbraw/zinc/15/19/95/176151995.db2.gz FSRANNAZECSADK-HZGVNTEJSA-N 1 0 249.236 2.453 10 0 BEAERO C[C@@H]1CCN(C(=O)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000235318398 176154367 /nfs/dbraw/zinc/15/43/67/176154367.db2.gz ADAODLXZFQHAAT-DGCLKSJQSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCN(CCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000224843042 176170306 /nfs/dbraw/zinc/17/03/06/176170306.db2.gz CVPLDBJXRUJHOR-ZIAGYGMSSA-N 1 0 248.370 2.125 10 0 BEAERO C[C@@H]1CCN(c2cc(F)ccc2F)CC[NH2+]1 ZINC000049661136 176180316 /nfs/dbraw/zinc/18/03/16/176180316.db2.gz GFMBVXUKHPOSIZ-SECBINFHSA-N 1 0 226.270 2.153 10 0 BEAERO C[C@@H]1CCN(c2ccccc2)CCC[NH2+]1 ZINC000049665042 176181307 /nfs/dbraw/zinc/18/13/07/176181307.db2.gz GVQOMRRHHPSWLP-GFCCVEGCSA-N 1 0 204.317 2.265 10 0 BEAERO C[C@@H]1CCN(c2cccnc2)CC[C@@H](C)[NH2+]1 ZINC000049662988 176181996 /nfs/dbraw/zinc/18/19/96/176181996.db2.gz BHTGWGMOUCNGRJ-VXGBXAGGSA-N 1 0 219.332 2.048 10 0 BEAERO C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2)C[NH2+]1 ZINC000019429174 176194701 /nfs/dbraw/zinc/19/47/01/176194701.db2.gz BWMPNZUCOZIJHZ-TZMCWYRMSA-N 1 0 246.354 2.033 10 0 BEAERO C[C@@H]1CC[C@@H](CNC(=O)CC2CCCC2)C[NH2+]1 ZINC000062036651 176203457 /nfs/dbraw/zinc/20/34/57/176203457.db2.gz IQCPMKOYZNFRQF-DGCLKSJQSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CC[C@@H](C[NH+]2CCC(c3cc[nH]n3)CC2)O1 ZINC000188579689 176203952 /nfs/dbraw/zinc/20/39/52/176203952.db2.gz GMJQRLGZOMEXHW-YPMHNXCESA-N 1 0 249.358 2.157 10 0 BEAERO C[C@@H]1CC[C@H](C(=O)NCCC2CCCC2)C[NH2+]1 ZINC000037741552 176220565 /nfs/dbraw/zinc/22/05/65/176220565.db2.gz OFFNZYGVDJTBIP-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)C(C)(C)C1 ZINC000334552995 176245479 /nfs/dbraw/zinc/24/54/79/176245479.db2.gz JJSJRRGYBXCEPZ-NWDGAFQWSA-N 1 0 238.375 2.166 10 0 BEAERO C[C@@H]1CN(C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC000059327492 176253719 /nfs/dbraw/zinc/25/37/19/176253719.db2.gz JOINYCKVHXRGDV-GFCCVEGCSA-N 1 0 248.326 2.007 10 0 BEAERO C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccccc1 ZINC000073653721 176269984 /nfs/dbraw/zinc/26/99/84/176269984.db2.gz GDWQHRLREBUYNF-YPMHNXCESA-N 1 0 204.317 2.439 10 0 BEAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000340451418 176277688 /nfs/dbraw/zinc/27/76/88/176277688.db2.gz MKAOWBFJHXWFOY-YINFPWJTSA-N 1 0 248.414 2.351 10 0 BEAERO C[C@@H]1CN(C)[C@H](c2ccc(Cl)s2)C[NH2+]1 ZINC000083357743 176280154 /nfs/dbraw/zinc/28/01/54/176280154.db2.gz IRQJBLSDICWGBB-SFYZADRCSA-N 1 0 230.764 2.366 10 0 BEAERO C[C@@H]1C[N@H+](CCCNc2ccccc2)CCN1C ZINC000104132448 176290125 /nfs/dbraw/zinc/29/01/25/176290125.db2.gz TWNIJFLASWCRLA-CQSZACIVSA-N 1 0 247.386 2.125 10 0 BEAERO C[C@@H]1CN([C@H]2C[C@H]2c2ccccc2)CCC1=O ZINC000251798265 176317476 /nfs/dbraw/zinc/31/74/76/176317476.db2.gz NUQKFGFHNWXGHD-XBFCOCLRSA-N 1 0 229.323 2.453 10 0 BEAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCCC1 ZINC000082699266 176323558 /nfs/dbraw/zinc/32/35/58/176323558.db2.gz LTEQZTJVWQWMJF-TZMCWYRMSA-N 1 0 222.376 2.345 10 0 BEAERO C[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccccc1 ZINC000041232093 176324545 /nfs/dbraw/zinc/32/45/45/176324545.db2.gz HGIAWTOSYTWSPU-GFCCVEGCSA-N 1 0 218.344 2.259 10 0 BEAERO C[C@@H]1C[NH2+]C[C@@H](C)CN(c2ccccc2)C1 ZINC000049665065 176328885 /nfs/dbraw/zinc/32/88/85/176328885.db2.gz URGHKSYFEMAHOV-CHWSQXEVSA-N 1 0 218.344 2.368 10 0 BEAERO C[C@@H]1C[C@@H](C(=O)N2CCCCCC2)CC[C@@H]1[NH3+] ZINC000055122659 176356944 /nfs/dbraw/zinc/35/69/44/176356944.db2.gz HGTWIIQKDNCVNK-AGIUHOORSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)CCC[NH2+]1 ZINC000096987010 176363384 /nfs/dbraw/zinc/36/33/84/176363384.db2.gz SIUFTHGFIOZWAI-GHMZBOCLSA-N 1 0 242.363 2.384 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]CC2(C)CCC2)CN1C1CC1 ZINC000120416235 176375156 /nfs/dbraw/zinc/37/51/56/176375156.db2.gz GUFYQJIFEHJQSN-VXGBXAGGSA-N 1 0 222.376 2.391 10 0 BEAERO C[C@@H]1C[C@@H](OC(=O)[C@H]([NH3+])C2CC2)CC(C)(C)C1 ZINC000054524051 176382434 /nfs/dbraw/zinc/38/24/34/176382434.db2.gz UVSHOOQTLQGAEA-YUSALJHKSA-N 1 0 239.359 2.482 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000096543936 176404975 /nfs/dbraw/zinc/40/49/75/176404975.db2.gz SIIUOEUBYMJLQG-KCJUWKMLSA-N 1 0 235.718 2.486 10 0 BEAERO C[C@@H]1Cc2ccccc2N1CC1(C[NH3+])CC1 ZINC000049816164 176451533 /nfs/dbraw/zinc/45/15/33/176451533.db2.gz MDKYSYFWXGUIPV-LLVKDONJSA-N 1 0 216.328 2.177 10 0 BEAERO C[C@@](O)(C[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000055033188 176518319 /nfs/dbraw/zinc/51/83/19/176518319.db2.gz LOZJPZWTEMIUSO-GFCCVEGCSA-N 1 0 225.719 2.300 10 0 BEAERO C[C@@](O)(c1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000104123818 176520448 /nfs/dbraw/zinc/52/04/48/176520448.db2.gz MTZVKICDJWTPAP-RNCFNFMXSA-N 1 0 241.281 2.172 10 0 BEAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000049566416 176642165 /nfs/dbraw/zinc/64/21/65/176642165.db2.gz XIUZBCHEGVAMOT-BNOWGMLFSA-N 1 0 237.343 2.494 10 0 BEAERO C[C@H](C[NH3+])COc1cccc2cccnc21 ZINC000036679240 176659429 /nfs/dbraw/zinc/65/94/29/176659429.db2.gz SFZBEGJHXKCXKI-SNVBAGLBSA-N 1 0 216.284 2.208 10 0 BEAERO C[C@H](C[NH3+])Oc1ccc(F)cc1Br ZINC000011946834 176662105 /nfs/dbraw/zinc/66/21/05/176662105.db2.gz KNANCTKIEHHUOA-ZCFIWIBFSA-N 1 0 248.095 2.314 10 0 BEAERO C[C@H](C[NH2+][C@H]1CCCOC1)c1nccs1 ZINC000134952011 176685486 /nfs/dbraw/zinc/68/54/86/176685486.db2.gz FMNOCQPVWHKCTK-ZJUUUORDSA-N 1 0 226.345 2.015 10 0 BEAERO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000038092976 176724959 /nfs/dbraw/zinc/72/49/59/176724959.db2.gz BRLVDXHWLAVELG-BNOWGMLFSA-N 1 0 237.343 2.494 10 0 BEAERO C[C@H](N(C)C(=O)C[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000042781097 176742825 /nfs/dbraw/zinc/74/28/25/176742825.db2.gz PWKSXSAFXHVRNG-RYUDHWBXSA-N 1 0 240.391 2.412 10 0 BEAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000040853899 176756614 /nfs/dbraw/zinc/75/66/14/176756614.db2.gz CXGISIJRPJCLDB-IUCAKERBSA-N 1 0 240.734 2.255 10 0 BEAERO C[C@H]([NH2+]CC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000015482360 176834691 /nfs/dbraw/zinc/83/46/91/176834691.db2.gz KXZWKUCSZKTCNO-LURJTMIESA-N 1 0 247.125 2.129 10 0 BEAERO C[C@H]([NH2+]CCN(C)C1CC1)c1ccc(O)cc1 ZINC000061992682 176847397 /nfs/dbraw/zinc/84/73/97/176847397.db2.gz XSQQWOHGLOLBNP-NSHDSACASA-N 1 0 234.343 2.137 10 0 BEAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000252752743 177008965 /nfs/dbraw/zinc/00/89/65/177008965.db2.gz CBMHGFHXKRXJIT-IACUBPJLSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@H](O)[C@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000252752742 177015329 /nfs/dbraw/zinc/01/53/29/177015329.db2.gz CBMHGFHXKRXJIT-FPMFFAJLSA-N 1 0 231.339 2.029 10 0 BEAERO C[C@H](O)c1ccccc1OCC[NH+]1CCCC1 ZINC000035626939 177017755 /nfs/dbraw/zinc/01/77/55/177017755.db2.gz VBQZXYAPEOAXAH-LBPRGKRZSA-N 1 0 235.327 2.215 10 0 BEAERO C[C@H](OC[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000095068536 177020856 /nfs/dbraw/zinc/02/08/56/177020856.db2.gz NWCRSJZHLGRVBF-VHSXEESVSA-N 1 0 211.330 2.435 10 0 BEAERO C[C@H](OC[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000095068476 177021252 /nfs/dbraw/zinc/02/12/52/177021252.db2.gz UJTRIJYQNKRSJF-UWVGGRQHSA-N 1 0 226.345 2.363 10 0 BEAERO C[C@H](OCC[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095068588 177021293 /nfs/dbraw/zinc/02/12/93/177021293.db2.gz SXTVTPRCXKXUBC-RYUDHWBXSA-N 1 0 222.332 2.482 10 0 BEAERO C[C@H](OC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095068468 177021298 /nfs/dbraw/zinc/02/12/98/177021298.db2.gz OSWAQNSASOFTKP-RYUDHWBXSA-N 1 0 220.316 2.301 10 0 BEAERO C[C@@H]([NH3+])[C@H](C)Oc1ccc(F)cc1F ZINC000041053961 177023268 /nfs/dbraw/zinc/02/32/68/177023268.db2.gz LTPRSISCADBXHA-RQJHMYQMSA-N 1 0 201.216 2.079 10 0 BEAERO C[C@H](SCCC[NH3+])C(=O)Nc1ccccc1 ZINC000058250116 177026630 /nfs/dbraw/zinc/02/66/30/177026630.db2.gz BGXDKYRTTZHUSQ-JTQLQIEISA-N 1 0 238.356 2.096 10 0 BEAERO C[C@H]([C@@H]1CCCO1)N1Cc2ccccc2C1=[NH2+] ZINC000035736014 177030475 /nfs/dbraw/zinc/03/04/75/177030475.db2.gz JPOOYDMGBNRALP-MFKMUULPSA-N 1 0 230.311 2.395 10 0 BEAERO C[C@H]([C@H]([NH3+])c1ccccc1)N(C)C1CC1 ZINC000037080932 177030910 /nfs/dbraw/zinc/03/09/10/177030910.db2.gz UFEQFKMSUZHZAL-MFKMUULPSA-N 1 0 204.317 2.169 10 0 BEAERO C[C@H](c1ccc(N)cc1)[N@H+](C)C1CCN(C)CC1 ZINC000042288414 177034725 /nfs/dbraw/zinc/03/47/25/177034725.db2.gz YHVADVXWNVVMHP-GFCCVEGCSA-N 1 0 247.386 2.356 10 0 BEAERO C[C@H](c1ccccc1)[N@H+](C)CC1CC(O)C1 ZINC000084453863 177037245 /nfs/dbraw/zinc/03/72/45/177037245.db2.gz XZLARQCFSWDWOZ-LKSINWNRSA-N 1 0 219.328 2.450 10 0 BEAERO C[C@H](c1ccccc1)N1C[C@@H]([NH3+])C2(CC2)C1 ZINC000038524360 177040519 /nfs/dbraw/zinc/04/05/19/177040519.db2.gz LQXLEBQQOBROTO-DGCLKSJQSA-N 1 0 216.328 2.171 10 0 BEAERO C[C@H](c1ccccc1Cl)N(C)C(N)=[NH2+] ZINC000062013059 177041753 /nfs/dbraw/zinc/04/17/53/177041753.db2.gz KCIWVCKASQCBPI-SSDOTTSWSA-N 1 0 211.696 2.226 10 0 BEAERO C[C@H](c1ccco1)N1CCCC[C@@H]1C[NH3+] ZINC000044539634 177048544 /nfs/dbraw/zinc/04/85/44/177048544.db2.gz CQYOUXHDTANJDL-GHMZBOCLSA-N 1 0 208.305 2.154 10 0 BEAERO C[C@H](c1nccs1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068209 177053785 /nfs/dbraw/zinc/05/37/85/177053785.db2.gz DYZSHSZRQHOMEM-MNOVXSKESA-N 1 0 239.388 2.278 10 0 BEAERO C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc(N)c1 ZINC000041139641 177077103 /nfs/dbraw/zinc/07/71/03/177077103.db2.gz UPCZDSFVBPHJOR-FZMZJTMJSA-N 1 0 234.343 2.177 10 0 BEAERO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152235 177082804 /nfs/dbraw/zinc/08/28/04/177082804.db2.gz UGSLQOUTAXOKRB-WTIISPKJSA-N 1 0 238.375 2.199 10 0 BEAERO C[C@H]1CCCC[C@@]1(CN)[N@@H+]1CCCO[C@H](C)C1 ZINC000061916240 177085026 /nfs/dbraw/zinc/08/50/26/177085026.db2.gz OJTCOTWJVZVHCU-MJBXVCDLSA-N 1 0 240.391 2.005 10 0 BEAERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1nccn1C ZINC000042862416 177085868 /nfs/dbraw/zinc/08/58/68/177085868.db2.gz DUKNSLJYPYHOGU-RYUDHWBXSA-N 1 0 221.348 2.336 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncn1 ZINC000054788662 177088685 /nfs/dbraw/zinc/08/86/85/177088685.db2.gz JETFDLPEBCNVBU-CMPLNLGQSA-N 1 0 205.305 2.145 10 0 BEAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(N)=O ZINC000020052798 177088995 /nfs/dbraw/zinc/08/89/95/177088995.db2.gz LDHSYTYDTXQCNQ-SMDDNHRTSA-N 1 0 246.354 2.454 10 0 BEAERO C[C@H]1CCCC[C@H]1Oc1ncccc1C[NH3+] ZINC000019280160 177090423 /nfs/dbraw/zinc/09/04/23/177090423.db2.gz LEARJVQTAZHKKP-CMPLNLGQSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@H]1CCC[N@@H+]1Cc1nc(N)ccc1Cl ZINC000061630524 177111218 /nfs/dbraw/zinc/11/12/18/177111218.db2.gz MSNCXILMPFDGCN-QMMMGPOBSA-N 1 0 225.723 2.302 10 0 BEAERO C[C@H]1CCC[N@@H+]1[C@@H](CN)C1CCCCC1 ZINC000037910318 177111923 /nfs/dbraw/zinc/11/19/23/177111923.db2.gz XUXBGIXZZHRACH-AAEUAGOBSA-N 1 0 210.365 2.378 10 0 BEAERO C[C@H]1CCC[C@@H](C(=O)N(C)c2ccccc2)[NH2+]1 ZINC000019480170 177112900 /nfs/dbraw/zinc/11/29/00/177112900.db2.gz RSCSVPBVYQWVLN-AAEUAGOBSA-N 1 0 232.327 2.180 10 0 BEAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)NCCC1CCCC1 ZINC000051793131 177113103 /nfs/dbraw/zinc/11/31/03/177113103.db2.gz UBUZOZJUSIOHCM-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N(C)Cc1ccccc1 ZINC000051790821 177113205 /nfs/dbraw/zinc/11/32/05/177113205.db2.gz KPPWGGNLCCYZIU-JSGCOSHPSA-N 1 0 246.354 2.033 10 0 BEAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCn1cccn1 ZINC000042538635 177114167 /nfs/dbraw/zinc/11/41/67/177114167.db2.gz NRZQESWZCKJBEE-FUNVUKJBSA-N 1 0 221.348 2.297 10 0 BEAERO C[C@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000042494804 177120894 /nfs/dbraw/zinc/12/08/94/177120894.db2.gz JGQIHFIGCBPGOF-YNEHKIRRSA-N 1 0 238.375 2.023 10 0 BEAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCCC1(C)C ZINC000063075176 177121288 /nfs/dbraw/zinc/12/12/88/177121288.db2.gz WLDMPLUPZPIHEA-QJPTWQEYSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@H]1[C@H]([NH2+]Cc2cnn(C)c2)CCC[C@@H]1C ZINC000020075208 177123224 /nfs/dbraw/zinc/12/32/24/177123224.db2.gz RHRGCUPTAAENAK-DMDPSCGWSA-N 1 0 221.348 2.334 10 0 BEAERO C[C@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071209102 177124380 /nfs/dbraw/zinc/12/43/80/177124380.db2.gz RPCJUKPNYFOKQY-AVGNSLFASA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CCC[C@@](CN)([NH+]2CCCCC2)C1 ZINC000019436239 177127812 /nfs/dbraw/zinc/12/78/12/177127812.db2.gz CBTZRGDTKZXRRG-QWHCGFSZSA-N 1 0 210.365 2.380 10 0 BEAERO C[C@H]1CCC[C@H](C(=O)NCC2CCCCC2)[NH2+]1 ZINC000037260044 177129460 /nfs/dbraw/zinc/12/94/60/177129460.db2.gz VFFRHJHIGQRLPQ-WCQYABFASA-N 1 0 238.375 2.214 10 0 BEAERO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)C1CCCC1 ZINC000055126373 177135157 /nfs/dbraw/zinc/13/51/57/177135157.db2.gz NBGTXACTZCPHML-WCFLWFBJSA-N 1 0 238.375 2.151 10 0 BEAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019413403 177136355 /nfs/dbraw/zinc/13/63/55/177136355.db2.gz ACNUPMPSFVQKQM-RNJOBUHISA-N 1 0 238.375 2.069 10 0 BEAERO C[C@H]1CCC[C@H](Oc2cccc(C[NH3+])n2)C1 ZINC000051542215 177138984 /nfs/dbraw/zinc/13/89/84/177138984.db2.gz ALZZHSAXWVSHEJ-JQWIXIFHSA-N 1 0 220.316 2.498 10 0 BEAERO C[C@@H]1CN([C@@]2(C[NH3+])CCC[C@H](C)C2)C[C@H](C)O1 ZINC000019430734 177143255 /nfs/dbraw/zinc/14/32/55/177143255.db2.gz STCRXWMGPHTPHX-FQUUOJAGSA-N 1 0 240.391 2.003 10 0 BEAERO C[C@H]1CC[N@H+](CCC2(O)CC2)CC1(C)C ZINC000336543494 177159111 /nfs/dbraw/zinc/15/91/11/177159111.db2.gz CYFHYGSDMJEPFQ-NSHDSACASA-N 1 0 211.349 2.269 10 0 BEAERO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCN[C@@H](C)CC1 ZINC000044417881 177162049 /nfs/dbraw/zinc/16/20/49/177162049.db2.gz LEYIZWFTLCZGQT-MELADBBJSA-N 1 0 224.392 2.497 10 0 BEAERO C[C@H]1CCN(CCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000224847591 177162175 /nfs/dbraw/zinc/16/21/75/177162175.db2.gz UUGYKHMSNDQMLG-DZGCQCFKSA-N 1 0 232.371 2.288 10 0 BEAERO C[C@H]1CCN(Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000049662452 177163520 /nfs/dbraw/zinc/16/35/20/177163520.db2.gz ZAWGIQDQGCGZJQ-JTQLQIEISA-N 1 0 240.297 2.149 10 0 BEAERO C[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000130503135 177164896 /nfs/dbraw/zinc/16/48/96/177164896.db2.gz XJCVAUVTIABIOJ-NSHDSACASA-N 1 0 216.328 2.496 10 0 BEAERO C[C@@H]1[C@H]([NH3+])[C@@H](C)CCN1Cc1ccccc1 ZINC000068592926 177165411 /nfs/dbraw/zinc/16/54/11/177165411.db2.gz ZWBZAXCNTIOTLB-OUCADQQQSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@H]1CCN(Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000235671735 177165517 /nfs/dbraw/zinc/16/55/17/177165517.db2.gz UWNJFJQWNQPCLB-SMDDNHRTSA-N 1 0 236.334 2.385 10 0 BEAERO C[C@H]1CCN(c2ccc(F)cc2)CC[NH2+]1 ZINC000049661384 177170765 /nfs/dbraw/zinc/17/07/65/177170765.db2.gz XIRYRNZQHZVAPN-JTQLQIEISA-N 1 0 208.280 2.014 10 0 BEAERO C[C@H]1CCN(c2ccc(F)cc2)CCC[NH2+]1 ZINC000049664398 177170935 /nfs/dbraw/zinc/17/09/35/177170935.db2.gz ARKWDEBNPGPZCQ-NSHDSACASA-N 1 0 222.307 2.404 10 0 BEAERO C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2)C[NH2+]1 ZINC000019429176 177181322 /nfs/dbraw/zinc/18/13/22/177181322.db2.gz BWMPNZUCOZIJHZ-GXTWGEPZSA-N 1 0 246.354 2.033 10 0 BEAERO C[C@H]1CC[C@H](CNC(=O)CC2CCCC2)C[NH2+]1 ZINC000062036650 177201555 /nfs/dbraw/zinc/20/15/55/177201555.db2.gz IQCPMKOYZNFRQF-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO C[C@@H](C[NH3+])c1nc2c(s1)C[C@@H](C)CC2 ZINC000011883548 177210080 /nfs/dbraw/zinc/21/00/80/177210080.db2.gz RDSNCAZREJSWBF-YUMQZZPRSA-N 1 0 210.346 2.330 10 0 BEAERO C[C@H]1CCc2nc(CCC[NH3+])sc2C1 ZINC000011632100 177210470 /nfs/dbraw/zinc/21/04/70/177210470.db2.gz RHTRLJNCLXYBQV-QMMMGPOBSA-N 1 0 210.346 2.159 10 0 BEAERO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)OCc1ccccc1 ZINC000034109320 177221954 /nfs/dbraw/zinc/22/19/54/177221954.db2.gz HDMXGKDIDQZITN-NWDGAFQWSA-N 1 0 248.326 2.005 10 0 BEAERO C[C@H]1C[N@H+](CC2CC(F)(F)C2)CCS1 ZINC000336187435 177245340 /nfs/dbraw/zinc/24/53/40/177245340.db2.gz AONYJGINVUXGHJ-QMMMGPOBSA-N 1 0 221.316 2.469 10 0 BEAERO C[C@@H]1CCC(=O)[C@@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000053925117 177259443 /nfs/dbraw/zinc/25/94/43/177259443.db2.gz OEZTUDVIXGAWGE-FVCCEPFGSA-N 1 0 239.359 2.101 10 0 BEAERO C[C@H]1CN(Cc2ccccc2)C(C)(C)C[NH2+]1 ZINC000062608932 177265173 /nfs/dbraw/zinc/26/51/73/177265173.db2.gz HIWHYNYFFGYGLP-LBPRGKRZSA-N 1 0 218.344 2.259 10 0 BEAERO C[C@@H]([NH3+])c1ccccc1N1CCCO[C@@H](C)C1 ZINC000061919087 177277325 /nfs/dbraw/zinc/27/73/25/177277325.db2.gz FCAFNFHPYMGTKO-NWDGAFQWSA-N 1 0 234.343 2.322 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1 ZINC000247516169 177279939 /nfs/dbraw/zinc/27/99/39/177279939.db2.gz WHGZXGFIICZOAB-WFASDCNBSA-N 1 0 248.345 2.494 10 0 BEAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccccc1 ZINC000019575708 177280729 /nfs/dbraw/zinc/28/07/29/177280729.db2.gz OWXRKLBEDFCSBI-GOEBONIOSA-N 1 0 244.382 2.398 10 0 BEAERO C[C@H](c1cccs1)N1CC[NH2+]C[C@@H]1C ZINC000100257077 177284847 /nfs/dbraw/zinc/28/48/47/177284847.db2.gz VOOFFVZNFWNIFF-VHSXEESVSA-N 1 0 210.346 2.103 10 0 BEAERO C[C@H]1C[NH2+]C[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000104213268 177285840 /nfs/dbraw/zinc/28/58/40/177285840.db2.gz LYEOSURBGWKXKR-WCQYABFASA-N 1 0 236.334 2.113 10 0 BEAERO C[C@H]1COC[C@H](C)[NH+]1CC[C@@H](O)c1ccccc1 ZINC000286640523 177300374 /nfs/dbraw/zinc/30/03/74/177300374.db2.gz ZVTIDFMWJBKAJM-KCQAQPDRSA-N 1 0 249.354 2.219 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@@H+](CCNCc2cccnc2)C1 ZINC000053344486 177313220 /nfs/dbraw/zinc/31/32/20/177313220.db2.gz TUYURYGBLVOKMW-OKILXGFUSA-N 1 0 247.386 2.149 10 0 BEAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccco2)C1 ZINC000022221271 177314244 /nfs/dbraw/zinc/31/42/44/177314244.db2.gz VVOOBECOVUXKAR-TUAOUCFPSA-N 1 0 222.332 2.257 10 0 BEAERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc2ccccc2n1 ZINC000216237943 177324978 /nfs/dbraw/zinc/32/49/78/177324978.db2.gz GIPIDOVWVLKPFA-RYUDHWBXSA-N 1 0 241.338 2.408 10 0 BEAERO C[C@H]1C[C@@H](N(C)Cc2nccs2)CC[N@@H+]1C ZINC000135123166 177327004 /nfs/dbraw/zinc/32/70/04/177327004.db2.gz VPGZRLNLRXKQTG-QWRGUYRKSA-N 1 0 239.388 2.058 10 0 BEAERO C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCC1CCCC1 ZINC000055127066 177327838 /nfs/dbraw/zinc/32/78/38/177327838.db2.gz NYRCRAYRHQXYDQ-DRZSPHRISA-N 1 0 238.375 2.056 10 0 BEAERO C[C@@H]1[C@@H](C)C[C@@H]([NH3+])CN1Cc1ccccc1 ZINC000068593187 177327951 /nfs/dbraw/zinc/32/79/51/177327951.db2.gz NVIRYIHNKWLTFW-OUCADQQQSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284215359 177349936 /nfs/dbraw/zinc/34/99/36/177349936.db2.gz CLOVHIIRWIGOPW-ONGXEEELSA-N 1 0 219.332 2.272 10 0 BEAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000278661159 177350314 /nfs/dbraw/zinc/35/03/14/177350314.db2.gz NHUXRFAOUUZMTI-KWQFWETISA-N 1 0 217.272 2.168 10 0 BEAERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)CC1=CCCCC1 ZINC000104109311 177352505 /nfs/dbraw/zinc/35/25/05/177352505.db2.gz YSVWOYGQBSHYAG-YUTCNCBUSA-N 1 0 248.370 2.086 10 0 BEAERO C[C@H]1C[C@H](C)C[NH+](CC2(N)CCCC2)C1 ZINC000037479583 177358401 /nfs/dbraw/zinc/35/84/01/177358401.db2.gz XQWRZUVXVDLOOQ-RYUDHWBXSA-N 1 0 210.365 2.236 10 0 BEAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cncs2)C[C@H](C)O1 ZINC000282355657 177363500 /nfs/dbraw/zinc/36/35/00/177363500.db2.gz VUQHZEZBZODLOU-JGPRNRPPSA-N 1 0 240.372 2.436 10 0 BEAERO C[C@H]1C[C@H]([NH3+])[C@H](C)N(Cc2ccccc2)C1 ZINC000068593042 177364670 /nfs/dbraw/zinc/36/46/70/177364670.db2.gz MPGWATXLKGPBOP-OBJOEFQTSA-N 1 0 218.344 2.244 10 0 BEAERO C[C@H]1C[C@H]([NH2+]CCn2cncn2)c2ccccc21 ZINC000288536567 177370760 /nfs/dbraw/zinc/37/07/60/177370760.db2.gz ADNZNMMIMZFAAL-FZMZJTMJSA-N 1 0 242.326 2.116 10 0 BEAERO C[C@@H]([NH3+])c1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000052300472 177383924 /nfs/dbraw/zinc/38/39/24/177383924.db2.gz CKVDZOHBCOQJID-YGOYTEALSA-N 1 0 233.315 2.236 10 0 BEAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c(N)c1 ZINC000052294175 177385536 /nfs/dbraw/zinc/38/55/36/177385536.db2.gz KROBGBWWUCMGLO-WRWORJQWSA-N 1 0 210.708 2.420 10 0 BEAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000309833018 177393159 /nfs/dbraw/zinc/39/31/59/177393159.db2.gz ZDFMFUSBQGGSCV-MNOVXSKESA-N 1 0 226.364 2.069 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncc(Cl)cc1F ZINC000129552788 177394992 /nfs/dbraw/zinc/39/49/92/177394992.db2.gz QTRLXCXQOIDVRE-XCBNKYQSSA-N 1 0 243.713 2.427 10 0 BEAERO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1CCF)C1CC1 ZINC000336780879 177451268 /nfs/dbraw/zinc/45/12/68/177451268.db2.gz SJCVCVCVUONBJQ-WXHSDQCUSA-N 1 0 229.339 2.265 10 0 BEAERO C[C@](O)(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000104120984 177451857 /nfs/dbraw/zinc/45/18/57/177451857.db2.gz BFKNKDWWRHOORG-JSGCOSHPSA-N 1 0 237.318 2.119 10 0 BEAERO Cc1c(C[NH2+]C2(C)CCCC2)cnn1C ZINC000086552001 177591556 /nfs/dbraw/zinc/59/15/56/177591556.db2.gz ZFTUSKPFUUOCGW-UHFFFAOYSA-N 1 0 207.321 2.151 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079520056 487641902 /nfs/dbraw/zinc/64/19/02/487641902.db2.gz CVVWGKZXCKLNCL-SWLSCSKDSA-N 1 0 246.354 2.314 10 0 BEAERO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000488346296 225382121 /nfs/dbraw/zinc/38/21/21/225382121.db2.gz IZPAGJXUKZAYJD-YIYPIFLZSA-N 1 0 223.360 2.269 10 0 BEAERO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000400353901 226341703 /nfs/dbraw/zinc/34/17/03/226341703.db2.gz ANJKMOQCIAHGTE-SRVKXCTJSA-N 1 0 222.332 2.237 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400752626 226351576 /nfs/dbraw/zinc/35/15/76/226351576.db2.gz WALRSTNCNRIPKL-SGMGOOAPSA-N 1 0 246.354 2.098 10 0 BEAERO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](O)C1)c1ccccc1 ZINC000401577508 226359648 /nfs/dbraw/zinc/35/96/48/226359648.db2.gz IRBUBPSEKCQRFE-NFAWXSAZSA-N 1 0 233.355 2.493 10 0 BEAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000402113118 226364721 /nfs/dbraw/zinc/36/47/21/226364721.db2.gz ANYSYVLXRYZUJU-FRRDWIJNSA-N 1 0 209.333 2.188 10 0 BEAERO CCc1csc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)n1 ZINC000226036727 487653450 /nfs/dbraw/zinc/65/34/50/487653450.db2.gz JZPORROVGLLJDF-GXSJLCMTSA-N 1 0 239.388 2.269 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000228488326 487657252 /nfs/dbraw/zinc/65/72/52/487657252.db2.gz CVOOTUVLCPUKGZ-RWMBFGLXSA-N 1 0 240.391 2.302 10 0 BEAERO C[C@H]([NH3+])CNc1ncc(Cl)cc1Cl ZINC000082575650 487678243 /nfs/dbraw/zinc/67/82/43/487678243.db2.gz HXSYZRKLSLGRCR-YFKPBYRVSA-N 1 0 220.103 2.148 10 0 BEAERO CCN(CC[NH3+])c1nc2ccccc2s1 ZINC000082591988 487686264 /nfs/dbraw/zinc/68/62/64/487686264.db2.gz OUMHKXIDGYKWFM-UHFFFAOYSA-N 1 0 221.329 2.081 10 0 BEAERO C[C@]1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCCS1 ZINC000087794128 487688558 /nfs/dbraw/zinc/68/85/58/487688558.db2.gz IBSDPYGDUNCBNZ-CHWSQXEVSA-N 1 0 240.416 2.052 10 0 BEAERO CCCC1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000233033728 487689184 /nfs/dbraw/zinc/68/91/84/487689184.db2.gz IMHCASSKTMSPIG-VXGBXAGGSA-N 1 0 211.349 2.460 10 0 BEAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000036873479 487689566 /nfs/dbraw/zinc/68/95/66/487689566.db2.gz LGSSAJMQTARUOD-XQQFMLRXSA-N 1 0 238.375 2.295 10 0 BEAERO CC[C@@H](C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000394449725 487689872 /nfs/dbraw/zinc/68/98/72/487689872.db2.gz GXJDTIAOAWKVHD-GHMZBOCLSA-N 1 0 201.354 2.419 10 0 BEAERO CCN1CC[C@@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000323994740 262766933 /nfs/dbraw/zinc/76/69/33/262766933.db2.gz LZRXAUNDRPSIMJ-CHWSQXEVSA-N 1 0 210.365 2.105 10 0 BEAERO CC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@H]1O ZINC000226276645 487699542 /nfs/dbraw/zinc/69/95/42/487699542.db2.gz QVRCHWKWSZLEHQ-ZIAGYGMSSA-N 1 0 219.328 2.422 10 0 BEAERO [NH3+]CC1(CCNc2cnc3ccccc3n2)CC1 ZINC000395827708 487702969 /nfs/dbraw/zinc/70/29/69/487702969.db2.gz AOZRVXHYPKJUCU-UHFFFAOYSA-N 1 0 242.326 2.171 10 0 BEAERO C[C@@H]1[C@@H]([NH3+])CCN1CC(C)(C)c1ccccc1 ZINC000666720033 487707495 /nfs/dbraw/zinc/70/74/95/487707495.db2.gz IKBJMUDAGLBFNW-OCCSQVGLSA-N 1 0 232.371 2.386 10 0 BEAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000233307269 487708701 /nfs/dbraw/zinc/70/87/01/487708701.db2.gz OJDFWHDMWOBZDV-ZIAGYGMSSA-N 1 0 219.328 2.457 10 0 BEAERO CCC[C@H]1C[C@@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000233385878 487713001 /nfs/dbraw/zinc/71/30/01/487713001.db2.gz ZLRAISBCGPSHIN-AAEUAGOBSA-N 1 0 247.342 2.455 10 0 BEAERO CCC[C@H]1C[C@H]1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000233372209 487713367 /nfs/dbraw/zinc/71/33/67/487713367.db2.gz MRBLSKZEMIEMPS-RWMBFGLXSA-N 1 0 240.391 2.302 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000233408680 487714317 /nfs/dbraw/zinc/71/43/17/487714317.db2.gz OJDFWHDMWOBZDV-UONOGXRCSA-N 1 0 219.328 2.457 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc(F)cc(F)c1 ZINC000136303374 487723131 /nfs/dbraw/zinc/72/31/31/487723131.db2.gz XSVCFJUILJNDJX-NSHDSACASA-N 1 0 242.269 2.277 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1 ZINC000136299824 487723165 /nfs/dbraw/zinc/72/31/65/487723165.db2.gz IFBCQRANELVPIH-ZDUSSCGKSA-N 1 0 234.343 2.018 10 0 BEAERO C[C@@H]1CC[C@@H](C)N(C(=O)C2CCC([NH3+])CC2)C1 ZINC000088705220 487746079 /nfs/dbraw/zinc/74/60/79/487746079.db2.gz JVONRQSVTBUSDC-OKZRHMCRSA-N 1 0 238.375 2.151 10 0 BEAERO CC[C@H]1CN(c2nccc3occc32)CC[C@@H]1[NH3+] ZINC000234086865 487760568 /nfs/dbraw/zinc/76/05/68/487760568.db2.gz OXZXXMLXPKXHLE-JQWIXIFHSA-N 1 0 245.326 2.391 10 0 BEAERO CC[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000051628559 487762630 /nfs/dbraw/zinc/76/26/30/487762630.db2.gz VSGHLLHFMSFSEW-CQSZACIVSA-N 1 0 246.354 2.396 10 0 BEAERO CC[C@H](C)N(CC)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000251798061 487797826 /nfs/dbraw/zinc/79/78/26/487797826.db2.gz KHJPYHQMQMKJGL-SDDRHHMPSA-N 1 0 226.364 2.022 10 0 BEAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000251896065 487805510 /nfs/dbraw/zinc/80/55/10/487805510.db2.gz SEGNOCDIAXZIAC-MROQNXINSA-N 1 0 238.375 2.008 10 0 BEAERO CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251889544 487805695 /nfs/dbraw/zinc/80/56/95/487805695.db2.gz VWVLZBMXAFWBOE-XQQFMLRXSA-N 1 0 238.375 2.153 10 0 BEAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252094376 487813816 /nfs/dbraw/zinc/81/38/16/487813816.db2.gz FEJUIPRXLUDKIR-XQHKEYJVSA-N 1 0 238.375 2.056 10 0 BEAERO CCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089449740 487817164 /nfs/dbraw/zinc/81/71/64/487817164.db2.gz UTXKPKDRYWPUET-OCCSQVGLSA-N 1 0 246.354 2.415 10 0 BEAERO COc1ccccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089448706 487818406 /nfs/dbraw/zinc/81/84/06/487818406.db2.gz PMNIOUPTXDPTOD-QWRGUYRKSA-N 1 0 248.326 2.009 10 0 BEAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000252150206 487819209 /nfs/dbraw/zinc/81/92/09/487819209.db2.gz ONEBIIKJLJNNIO-NDKCEZKHSA-N 1 0 241.375 2.083 10 0 BEAERO C[C@@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089462787 487823253 /nfs/dbraw/zinc/82/32/53/487823253.db2.gz WQVMIHUDYOMBDN-XBFCOCLRSA-N 1 0 246.354 2.239 10 0 BEAERO CC(C)N(CC1CC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089460716 487823286 /nfs/dbraw/zinc/82/32/86/487823286.db2.gz ZMHZFERZOGSJIF-QWHCGFSZSA-N 1 0 238.375 2.008 10 0 BEAERO CC1(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000089461063 487823685 /nfs/dbraw/zinc/82/36/85/487823685.db2.gz YAQXSPAVLVXGTQ-RYUDHWBXSA-N 1 0 238.375 2.200 10 0 BEAERO Cc1cc(C[C@@H]([NH3+])CN(C)C)ccc1Cl ZINC000757154403 586429949 /nfs/dbraw/zinc/42/99/49/586429949.db2.gz YNQUPWRXUJUHEX-LLVKDONJSA-N 1 0 226.751 2.080 10 0 BEAERO Cc1cc(CC(=O)[C@@H](C)[NH3+])ccc1Cl ZINC000757161481 586432141 /nfs/dbraw/zinc/43/21/41/586432141.db2.gz VXWMAZSYFMATFL-MRVPVSSYSA-N 1 0 211.692 2.107 10 0 BEAERO C[C@H]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000252708409 487830488 /nfs/dbraw/zinc/83/04/88/487830488.db2.gz AAMIBIGPAUQJLU-RGEVVGMBSA-N 1 0 238.375 2.199 10 0 BEAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403328156 322946344 /nfs/dbraw/zinc/94/63/44/322946344.db2.gz BCYCOEIIBDSSDY-FVCCEPFGSA-N 1 0 225.376 2.419 10 0 BEAERO CC[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000089747702 487851944 /nfs/dbraw/zinc/85/19/44/487851944.db2.gz HTKZHHBRZINALU-GXTWGEPZSA-N 1 0 246.354 2.254 10 0 BEAERO C[C@H](C[N@@H+]1CC[C@@H](CCO)C1)C(C)(C)C ZINC000670264401 487866224 /nfs/dbraw/zinc/86/62/24/487866224.db2.gz BBQSHNKBKFDWTQ-NEPJUHHUSA-N 1 0 213.365 2.373 10 0 BEAERO CNC(=O)[C@H]([NH2+]C[C@H](C)C(C)(C)C)C(C)C ZINC000309947736 487870538 /nfs/dbraw/zinc/87/05/38/487870538.db2.gz DWKNWXFZWSVVBW-WDEREUQCSA-N 1 0 228.380 2.029 10 0 BEAERO Cc1cccc(F)c1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000225025128 487875066 /nfs/dbraw/zinc/87/50/66/487875066.db2.gz CLXGMRUHRLJSGU-LLVKDONJSA-N 1 0 238.306 2.446 10 0 BEAERO C[C@@H]1C[NH+](C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C ZINC000380085508 487881569 /nfs/dbraw/zinc/88/15/69/487881569.db2.gz LNFIKCVJUDHDMQ-FDYHWXHSSA-N 1 0 211.349 2.125 10 0 BEAERO CCCC[N@H+](CCO)CCSC(F)(F)F ZINC000123701359 645920437 /nfs/dbraw/zinc/92/04/37/645920437.db2.gz MTBXOIAVIIBFMK-UHFFFAOYSA-N 1 0 245.310 2.334 10 0 BEAERO CCCC1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227432107 487899661 /nfs/dbraw/zinc/89/96/61/487899661.db2.gz QIFVQDIFZPUJNA-NEPJUHHUSA-N 1 0 238.375 2.058 10 0 BEAERO CCCn1nccc1C[NH2+][C@@H](C)C(C)C ZINC000164829291 487900794 /nfs/dbraw/zinc/90/07/94/487900794.db2.gz VLNZGXMCSPPVCQ-NSHDSACASA-N 1 0 209.337 2.427 10 0 BEAERO CC(C)[C@@H]1C[NH2+]CCN1c1ncccc1Cl ZINC000083367683 487905068 /nfs/dbraw/zinc/90/50/68/487905068.db2.gz RXDTYXJJCWTSDY-NSHDSACASA-N 1 0 239.750 2.169 10 0 BEAERO CCCc1nsc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000083670159 487926377 /nfs/dbraw/zinc/92/63/77/487926377.db2.gz GFJZBUSXBDEMET-SECBINFHSA-N 1 0 240.376 2.045 10 0 BEAERO CC(C)c1nsc(NC2CCC([NH3+])CC2)n1 ZINC000083651602 487927225 /nfs/dbraw/zinc/92/72/25/487927225.db2.gz XMZVJQOZAYJNHJ-UHFFFAOYSA-N 1 0 240.376 2.343 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CC1=CCCCC1 ZINC000229587648 487927788 /nfs/dbraw/zinc/92/77/88/487927788.db2.gz RPQUYJXHFYRGFP-YPMHNXCESA-N 1 0 236.359 2.134 10 0 BEAERO CCCC(CCC)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000211764630 487939122 /nfs/dbraw/zinc/93/91/22/487939122.db2.gz XZLQBNJNCYYLHB-YPMHNXCESA-N 1 0 240.391 2.460 10 0 BEAERO CCC(C)(C)[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000659339773 487941969 /nfs/dbraw/zinc/94/19/69/487941969.db2.gz LTJCHVCRPRIJET-GXFFZTMASA-N 1 0 226.364 2.069 10 0 BEAERO CCC[C@H](C(=O)NCC1(C(C)C)CC1)[NH+](C)C ZINC000152871482 323049087 /nfs/dbraw/zinc/04/90/87/323049087.db2.gz OGFNEUADIIJIFF-GFCCVEGCSA-N 1 0 240.391 2.269 10 0 BEAERO CC(C)c1cc(N[C@@H](C)C[C@@H](C)[NH3+])ncn1 ZINC000165752238 323070605 /nfs/dbraw/zinc/07/06/05/323070605.db2.gz ZYFWVGVXGFVASC-ZJUUUORDSA-N 1 0 222.336 2.138 10 0 BEAERO COc1ccc([C@@H]2C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000197437879 323081616 /nfs/dbraw/zinc/08/16/16/323081616.db2.gz XQYZITZLEACFSW-DRZSPHRISA-N 1 0 203.285 2.018 10 0 BEAERO C[N@@H+]1CCC[C@H]1CNc1ncnc2ccsc21 ZINC000049099919 323157614 /nfs/dbraw/zinc/15/76/14/323157614.db2.gz AMHJEARICMWSBG-VIFPVBQESA-N 1 0 248.355 2.197 10 0 BEAERO CC(C)(C)[C@@H](O)C[NH2+]CC1(C2CC2)CC1 ZINC000308797750 323178199 /nfs/dbraw/zinc/17/81/99/323178199.db2.gz LEACRWTWWCZGOH-NSHDSACASA-N 1 0 211.349 2.173 10 0 BEAERO CC(C)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398881725 323194389 /nfs/dbraw/zinc/19/43/89/323194389.db2.gz XLRUAHGBHBDDQQ-RWMBFGLXSA-N 1 0 211.349 2.125 10 0 BEAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(c2ncc[nH]2)C1 ZINC000521402111 323201032 /nfs/dbraw/zinc/20/10/32/323201032.db2.gz VLQQUOXDKUDNEY-JOYOIKCWSA-N 1 0 207.321 2.410 10 0 BEAERO CCC(F)(F)C(C)(C)CN[C@@H]1CC[NH2+]C1 ZINC000530221073 323218439 /nfs/dbraw/zinc/21/84/39/323218439.db2.gz WNWMOUSWAJCBEC-SECBINFHSA-N 1 0 220.307 2.009 10 0 BEAERO CCC[C@@H](C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000042147508 323244048 /nfs/dbraw/zinc/24/40/48/323244048.db2.gz JKYVXPXEMNMAMT-SNVBAGLBSA-N 1 0 214.353 2.022 10 0 BEAERO O[C@@H]1CC[C@@H]2C[C@@H]2CC[C@H]1[NH+]1CCCC1 ZINC000536954364 323962430 /nfs/dbraw/zinc/96/24/30/323962430.db2.gz LAQXGQSERUXIJY-UMSGYPCISA-N 1 0 209.333 2.022 10 0 BEAERO CC[C@H](C)c1nc2n(c1C[NH3+])CCCC2 ZINC000536956371 323967279 /nfs/dbraw/zinc/96/72/79/323967279.db2.gz ZYMYDYPXNOHBOB-VIFPVBQESA-N 1 0 207.321 2.192 10 0 BEAERO [NH3+]C[C@@H]1CC[C@H](c2ccccc2F)CO1 ZINC000536958207 323969578 /nfs/dbraw/zinc/96/95/78/323969578.db2.gz MJEZDZJSAXUQSM-UWVGGRQHSA-N 1 0 209.264 2.047 10 0 BEAERO COC[C@H](C)CNc1ccc(C[NH+](C)C)cc1 ZINC000131850752 324087080 /nfs/dbraw/zinc/08/70/80/324087080.db2.gz RQSKTBBFBBVAPS-GFCCVEGCSA-N 1 0 236.359 2.443 10 0 BEAERO COC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000125674372 324646584 /nfs/dbraw/zinc/64/65/84/324646584.db2.gz QOGYIWGGPDJSOV-RYUDHWBXSA-N 1 0 227.348 2.354 10 0 BEAERO CC[C@@H]([NH2+]Cc1cccc(C)n1)[C@@H]1CCOC1 ZINC000127298708 324758666 /nfs/dbraw/zinc/75/86/66/324758666.db2.gz BYOYQVJYUBHVRH-TZMCWYRMSA-N 1 0 234.343 2.295 10 0 BEAERO CC[C@H]([NH2+]Cc1cccc(C)n1)[C@H]1CCOC1 ZINC000127298925 324758715 /nfs/dbraw/zinc/75/87/15/324758715.db2.gz BYOYQVJYUBHVRH-JSGCOSHPSA-N 1 0 234.343 2.295 10 0 BEAERO CC[C@H](O)CC[NH2+]Cc1ccnc2ccccc12 ZINC000127382032 324764494 /nfs/dbraw/zinc/76/44/94/324764494.db2.gz KDFXOJFRLLHKSJ-ZDUSSCGKSA-N 1 0 244.338 2.485 10 0 BEAERO CC[C@@H](C)C[NH2+]Cc1cccnc1N(C)C ZINC000128860991 324894003 /nfs/dbraw/zinc/89/40/03/324894003.db2.gz CSLSQXVPGICKFM-LLVKDONJSA-N 1 0 221.348 2.283 10 0 BEAERO CCCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129357022 324939017 /nfs/dbraw/zinc/93/90/17/324939017.db2.gz OEGJHCDHTFQTFJ-UHFFFAOYSA-N 1 0 226.364 2.023 10 0 BEAERO Cc1cccc(N(C)C(=O)C2CCC([NH3+])CC2)c1 ZINC000083913954 487966374 /nfs/dbraw/zinc/96/63/74/487966374.db2.gz NCFOJIKRGZOBEO-UHFFFAOYSA-N 1 0 246.354 2.475 10 0 BEAERO C[C@@H]([NH2+]CC1(CCO)CCC1)c1cscn1 ZINC000130989860 325105853 /nfs/dbraw/zinc/10/58/53/325105853.db2.gz KZBYQTFUKCTNRT-SNVBAGLBSA-N 1 0 240.372 2.346 10 0 BEAERO CCOC[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132069167 325197457 /nfs/dbraw/zinc/19/74/57/325197457.db2.gz SEDYFUOBIWWWDQ-BPNCWPANSA-N 1 0 234.343 2.146 10 0 BEAERO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1CC1 ZINC000132141227 325201280 /nfs/dbraw/zinc/20/12/80/325201280.db2.gz YSAAMISNZSUTSY-STQMWFEESA-N 1 0 238.375 2.069 10 0 BEAERO CCCn1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000132426809 325216001 /nfs/dbraw/zinc/21/60/01/325216001.db2.gz TYKJGBDUUNRDIG-MCIONIFRSA-N 1 0 234.343 2.308 10 0 BEAERO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CC(O)C2)C1 ZINC000235665049 325279160 /nfs/dbraw/zinc/27/91/60/325279160.db2.gz RMUZSCAOMIBXAC-IKMSWONJSA-N 1 0 223.360 2.339 10 0 BEAERO CC(C)(C)OCC[NH2+]C1CCSCC1 ZINC000136322967 325449861 /nfs/dbraw/zinc/44/98/61/325449861.db2.gz PGVNSEVYNJNXDK-UHFFFAOYSA-N 1 0 217.378 2.287 10 0 BEAERO COc1ccc(C)cc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510566 325457528 /nfs/dbraw/zinc/45/75/28/325457528.db2.gz ZPQKXAVKBWCPLP-AWEZNQCLSA-N 1 0 248.326 2.084 10 0 BEAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CC(O)C1 ZINC000252129782 325685119 /nfs/dbraw/zinc/68/51/19/325685119.db2.gz KPOMZVXCBMVQTJ-HKLPJWPXSA-N 1 0 211.349 2.172 10 0 BEAERO OC1CC(C[NH2+]C2CC(c3ccccc3F)C2)C1 ZINC000091423449 325686528 /nfs/dbraw/zinc/68/65/28/325686528.db2.gz IIQOMDSOPNRPFE-UHFFFAOYSA-N 1 0 249.329 2.432 10 0 BEAERO OC1CC(C[NH2+]Cc2cccc3cnccc32)C1 ZINC000091524901 325687360 /nfs/dbraw/zinc/68/73/60/325687360.db2.gz GDOXPTRQNWEHKT-UHFFFAOYSA-N 1 0 242.322 2.095 10 0 BEAERO CCC[C@@H]([NH2+]CC1CC(O)C1)C1CCC1 ZINC000322519790 326114139 /nfs/dbraw/zinc/11/41/39/326114139.db2.gz IZXNRZAQSQDMEE-KGPNIALWSA-N 1 0 211.349 2.316 10 0 BEAERO CCC[C@H](C(=O)N1CCCC(C)(C)C1)[NH+](C)C ZINC000157173715 326259551 /nfs/dbraw/zinc/25/95/51/326259551.db2.gz ORQAWBOUYGDALZ-GFCCVEGCSA-N 1 0 240.391 2.365 10 0 BEAERO Cc1nn(C)cc1-c1ccc(C[C@H](C)[NH3+])cc1 ZINC000235505742 487975556 /nfs/dbraw/zinc/97/55/56/487975556.db2.gz HKWMEZUYOLQDFD-JTQLQIEISA-N 1 0 229.327 2.285 10 0 BEAERO CN1C[C@H](C[NH2+]CCC2CCCCC2)CC1=O ZINC000668617188 488011097 /nfs/dbraw/zinc/01/10/97/488011097.db2.gz VYBOFYGGBNGOOK-ZDUSSCGKSA-N 1 0 238.375 2.025 10 0 BEAERO CCO[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000310126764 488018040 /nfs/dbraw/zinc/01/80/40/488018040.db2.gz JJZKLOKCMDKTHA-MGPQQGTHSA-N 1 0 241.375 2.038 10 0 BEAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CNC1 ZINC000084417004 488051500 /nfs/dbraw/zinc/05/15/00/488051500.db2.gz DONZIFXGXJWCDP-NWDGAFQWSA-N 1 0 210.365 2.153 10 0 BEAERO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000052395683 488055457 /nfs/dbraw/zinc/05/54/57/488055457.db2.gz XPFXLFUUKITHGT-WDEREUQCSA-N 1 0 234.343 2.034 10 0 BEAERO Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548511 488056666 /nfs/dbraw/zinc/05/66/66/488056666.db2.gz CAXIYXVXYXZYNA-UPJWGTAASA-N 1 0 246.354 2.300 10 0 BEAERO CC(C)[C@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000319544357 488058548 /nfs/dbraw/zinc/05/85/48/488058548.db2.gz NUZVFIBHNMKQTN-WCQYABFASA-N 1 0 218.344 2.421 10 0 BEAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000310527478 488070115 /nfs/dbraw/zinc/07/01/15/488070115.db2.gz PCOXFJCFORRWMG-RQJABVFESA-N 1 0 241.375 2.037 10 0 BEAERO COCC1(C[NH2+][C@H](C)c2ncc(C)o2)CCC1 ZINC000310135075 488084978 /nfs/dbraw/zinc/08/49/78/488084978.db2.gz LTDFWDYTQNWSTJ-LLVKDONJSA-N 1 0 238.331 2.450 10 0 BEAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1 ZINC000136291527 488092887 /nfs/dbraw/zinc/09/28/87/488092887.db2.gz WEPIKOLEIQQTDL-AAEUAGOBSA-N 1 0 234.343 2.237 10 0 BEAERO Cc1cc(F)ccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136303301 488093746 /nfs/dbraw/zinc/09/37/46/488093746.db2.gz DHAPQJNCUFQEHJ-LLVKDONJSA-N 1 0 238.306 2.446 10 0 BEAERO CCC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000389610907 488102986 /nfs/dbraw/zinc/10/29/86/488102986.db2.gz AZMYFQVIBPSVBG-YPMHNXCESA-N 1 0 211.349 2.412 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000148541422 488103048 /nfs/dbraw/zinc/10/30/48/488103048.db2.gz FVTHCSCEJCJKPT-SGMGOOAPSA-N 1 0 246.354 2.170 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000136476084 488104428 /nfs/dbraw/zinc/10/44/28/488104428.db2.gz CUTDUOHSPAIZPG-XQQFMLRXSA-N 1 0 238.375 2.151 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000378797625 488105415 /nfs/dbraw/zinc/10/54/15/488105415.db2.gz RMSLPVPPWZGIHI-CRWXNKLISA-N 1 0 223.360 2.458 10 0 BEAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)c(C)n1 ZINC000136488890 488105759 /nfs/dbraw/zinc/10/57/59/488105759.db2.gz WUORZSDBBJFLAO-LLVKDONJSA-N 1 0 235.331 2.010 10 0 BEAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCCC1(C)C ZINC000136487812 488105894 /nfs/dbraw/zinc/10/58/94/488105894.db2.gz HIOOGSQKWINQRR-VXGBXAGGSA-N 1 0 240.391 2.445 10 0 BEAERO Cc1cc(F)cc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136483549 488105961 /nfs/dbraw/zinc/10/59/61/488105961.db2.gz XMIKGFKZOVLUDQ-LBPRGKRZSA-N 1 0 238.306 2.446 10 0 BEAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000378970257 488115149 /nfs/dbraw/zinc/11/51/49/488115149.db2.gz ZTXFKJWKYNVEQI-IVZWLZJFSA-N 1 0 219.275 2.067 10 0 BEAERO Cc1cnn(CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403436544 487543826 /nfs/dbraw/zinc/54/38/26/487543826.db2.gz YYLUUAFFBGREEM-HZSPNIEDSA-N 1 0 233.359 2.217 10 0 BEAERO C[NH2+][C@H](C)C(=O)N1CCC2(CCCCC2)CC1 ZINC000061820960 487479162 /nfs/dbraw/zinc/47/91/62/487479162.db2.gz DDFZLGJINKBPPZ-GFCCVEGCSA-N 1 0 238.375 2.167 10 0 BEAERO CCCC(CCC)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000380561494 487479841 /nfs/dbraw/zinc/47/98/41/487479841.db2.gz MGPGIOPGBUQMEO-PWSUYJOCSA-N 1 0 226.364 2.151 10 0 BEAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](C3CC3)C2)C1 ZINC000399997724 487499645 /nfs/dbraw/zinc/49/96/45/487499645.db2.gz LLXQPHIQXSUCRS-MRVWCRGKSA-N 1 0 223.360 2.269 10 0 BEAERO CCc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)s1 ZINC000308806030 487512249 /nfs/dbraw/zinc/51/22/49/487512249.db2.gz AWCYLRUCCUGRFT-JOYOIKCWSA-N 1 0 224.373 2.232 10 0 BEAERO CCc1ccccc1CC[NH2+][C@@H](C)COC ZINC000381617983 487516580 /nfs/dbraw/zinc/51/65/80/487516580.db2.gz WOCQCTFSEPDHEY-LBPRGKRZSA-N 1 0 221.344 2.416 10 0 BEAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000308882150 487572185 /nfs/dbraw/zinc/57/21/85/487572185.db2.gz QQLFYTWZYCGSLJ-TUAOUCFPSA-N 1 0 209.333 2.212 10 0 BEAERO COc1cc(C)c(C)cc1N[C@@H]1CC[NH2+]C1 ZINC000258915517 488143135 /nfs/dbraw/zinc/14/31/35/488143135.db2.gz INMMZDFHPGMGAH-LLVKDONJSA-N 1 0 220.316 2.086 10 0 BEAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668112858 488204780 /nfs/dbraw/zinc/20/47/80/488204780.db2.gz ZQUXZTWKMAKLFW-MXWKQRLJSA-N 1 0 227.373 2.038 10 0 BEAERO C[C@@H](CCC1CC1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398063446 488206099 /nfs/dbraw/zinc/20/60/99/488206099.db2.gz DAUYRSZPVYTTNH-AAEUAGOBSA-N 1 0 238.375 2.071 10 0 BEAERO C[N@H+](CCC1CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000398722609 488223467 /nfs/dbraw/zinc/22/34/67/488223467.db2.gz QEYVRZUVDWIHLR-CYBMUJFWSA-N 1 0 210.365 2.251 10 0 BEAERO CC[C@@H](C)N(CC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290742 488235474 /nfs/dbraw/zinc/23/54/74/488235474.db2.gz OEFMQFVOHCBHLP-VXGBXAGGSA-N 1 0 226.364 2.023 10 0 BEAERO CC[C@@H](C)N(CC)C(=O)c1ccc(C[NH3+])cc1 ZINC000037112133 488245522 /nfs/dbraw/zinc/24/55/22/488245522.db2.gz KTPAKWQHZBCBBI-LLVKDONJSA-N 1 0 234.343 2.406 10 0 BEAERO CC[N@H+](Cc1cncnc1)[C@H](C)C(C)C ZINC000120687297 490067116 /nfs/dbraw/zinc/06/71/16/490067116.db2.gz GSZMPBZENSLGMB-LLVKDONJSA-N 1 0 207.321 2.343 10 0 BEAERO C[N@H+](CCCc1ccccc1)[C@H]1CCC[C@@H]1O ZINC000352659674 490098796 /nfs/dbraw/zinc/09/87/96/490098796.db2.gz KKUKZGBUUAUNDJ-GJZGRUSLSA-N 1 0 233.355 2.464 10 0 BEAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cncnc2)C1(C)C ZINC000129948873 490183727 /nfs/dbraw/zinc/18/37/27/490183727.db2.gz XMKLHAIQMQRHAH-QWHCGFSZSA-N 1 0 249.358 2.112 10 0 BEAERO CNc1cc(C)[nH+]c(N2CCC[C@H](C)C2)n1 ZINC000074934140 490309779 /nfs/dbraw/zinc/30/97/79/490309779.db2.gz GMIYRDDOBGFAMR-VIFPVBQESA-N 1 0 220.320 2.063 10 0 BEAERO CC(C)([NH3+])CC(=O)N[C@H]1CCCc2ccccc21 ZINC000084165003 490377309 /nfs/dbraw/zinc/37/73/09/490377309.db2.gz LTRSEROQYNCPNK-ZDUSSCGKSA-N 1 0 246.354 2.308 10 0 BEAERO CCN1CCC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000300250016 490553605 /nfs/dbraw/zinc/55/36/05/490553605.db2.gz OASFTTQHRYHCSC-MELADBBJSA-N 1 0 240.391 2.018 10 0 BEAERO C[C@@H](c1ccccn1)N1CCC([NH+](C)C)CC1 ZINC000127973102 490567451 /nfs/dbraw/zinc/56/74/51/490567451.db2.gz QZPWMFYNXHXXAS-LBPRGKRZSA-N 1 0 233.359 2.169 10 0 BEAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cncs1 ZINC000222647450 490653187 /nfs/dbraw/zinc/65/31/87/490653187.db2.gz JGVRKPDWYGORGA-LPEHRKFASA-N 1 0 226.345 2.097 10 0 BEAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cncc(F)c1 ZINC000222655190 490655021 /nfs/dbraw/zinc/65/50/21/490655021.db2.gz SKILEEPJFKPODK-ZWKOPEQDSA-N 1 0 238.306 2.175 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCC1CCC1 ZINC000659362774 491104485 /nfs/dbraw/zinc/10/44/85/491104485.db2.gz WNOYQQVJMSPBDY-YPMHNXCESA-N 1 0 238.375 2.071 10 0 BEAERO COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000336727372 491109157 /nfs/dbraw/zinc/10/91/57/491109157.db2.gz CQHZOWQEYKFYAG-RWMBFGLXSA-N 1 0 229.364 2.205 10 0 BEAERO OCCC[N@H+](C[C@H]1Cc2ccccc21)C1CC1 ZINC000404313381 491127102 /nfs/dbraw/zinc/12/71/02/491127102.db2.gz RHPACKXKJKKDCR-CYBMUJFWSA-N 1 0 231.339 2.173 10 0 BEAERO COCC[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000131937012 491134296 /nfs/dbraw/zinc/13/42/96/491134296.db2.gz UWAZCYUJTWCRCT-BFHYXJOUSA-N 1 0 241.375 2.038 10 0 BEAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CC1 ZINC000308962708 491141367 /nfs/dbraw/zinc/14/13/67/491141367.db2.gz SKTRBEBDPZRAAF-NEPJUHHUSA-N 1 0 211.349 2.317 10 0 BEAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000309666633 491154159 /nfs/dbraw/zinc/15/41/59/491154159.db2.gz ICQWCLWYXYEVAE-CHWSQXEVSA-N 1 0 221.348 2.216 10 0 BEAERO CCC[C@@H](C)C[NH2+]CC1(OC)CCOCC1 ZINC000133501603 491155522 /nfs/dbraw/zinc/15/55/22/491155522.db2.gz YVCDTPSSZCDVSV-GFCCVEGCSA-N 1 0 229.364 2.208 10 0 BEAERO CCC[C@@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757125767 582500829 /nfs/dbraw/zinc/50/08/29/582500829.db2.gz GAWJXBOTURGPJV-MRVPVSSYSA-N 1 0 214.334 2.004 10 0 BEAERO C[NH2+]Cc1sc(C(=O)[C@@H]2C[C@H]2C)nc1C ZINC000757126918 582501323 /nfs/dbraw/zinc/50/13/23/582501323.db2.gz WSWIAWRJSUDEFT-HTRCEHHLSA-N 1 0 224.329 2.010 10 0 BEAERO C[C@H]1[NH2+]CCC[C@]12CCCN2CC(F)(F)F ZINC000757133798 582510120 /nfs/dbraw/zinc/51/01/20/582510120.db2.gz UIHGXXYJBIZCLB-ZJUUUORDSA-N 1 0 236.281 2.155 10 0 BEAERO CCCC[C@@H](O)c1nc(C[NH2+]C)cs1 ZINC000757134918 582513192 /nfs/dbraw/zinc/51/31/92/582513192.db2.gz ZHUGUBPRKUHZGG-SECBINFHSA-N 1 0 214.334 2.086 10 0 BEAERO CCC1(CC)CC[NH2+][C@@]2(CCCOC2)O1 ZINC000757139754 582520157 /nfs/dbraw/zinc/52/01/57/582520157.db2.gz HFUWDFZXGLPKTR-LBPRGKRZSA-N 1 0 213.321 2.062 10 0 BEAERO FCC1(CF)CC2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757143599 582523834 /nfs/dbraw/zinc/52/38/34/582523834.db2.gz DOQFBRGDSQTTSP-UHFFFAOYSA-N 1 0 231.286 2.335 10 0 BEAERO Cc1cc(C[C@H]2COC[C@@H]2[NH3+])ccc1Cl ZINC000757149906 582533979 /nfs/dbraw/zinc/53/39/79/582533979.db2.gz DKUGWEPPRAPGED-JQWIXIFHSA-N 1 0 225.719 2.165 10 0 BEAERO CC(C)(C)[C@H]1C[NH2+][C@]2(CCSC2)OC1 ZINC000757153827 582539248 /nfs/dbraw/zinc/53/92/48/582539248.db2.gz XWRRCTZSSGLIGK-GXSJLCMTSA-N 1 0 215.362 2.102 10 0 BEAERO CCc1ccc(CSC[C@H]2CC[NH2+]2)o1 ZINC000757162808 582545354 /nfs/dbraw/zinc/54/53/54/582545354.db2.gz BGEUQNNAPLVKCG-SECBINFHSA-N 1 0 211.330 2.437 10 0 BEAERO C[C@](O)(C[NH3+])CCSCc1ccc(Cl)o1 ZINC000757170841 582550623 /nfs/dbraw/zinc/55/06/23/582550623.db2.gz RBCQSZBRIRZQKH-SNVBAGLBSA-N 1 0 249.763 2.266 10 0 BEAERO C[C@H](NCc1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400764473 533934627 /nfs/dbraw/zinc/93/46/27/533934627.db2.gz YYLMASQBKLDUNB-WDEREUQCSA-N 1 0 238.762 2.428 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccncc2)C1 ZINC000249612897 535540893 /nfs/dbraw/zinc/54/08/93/535540893.db2.gz GGYBWYPDJLFNRU-TZMCWYRMSA-N 1 0 233.359 2.217 10 0 BEAERO CC[C@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000070642784 536093651 /nfs/dbraw/zinc/09/36/51/536093651.db2.gz RZVDQUVQZAGPGJ-GMKTYKIGSA-N 1 0 211.349 2.458 10 0 BEAERO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CS1 ZINC000309396297 517470283 /nfs/dbraw/zinc/47/02/83/517470283.db2.gz VJCWIDKPJPRMFW-XQHKEYJVSA-N 1 0 243.416 2.267 10 0 BEAERO FC(F)(F)N(C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000095076932 518195881 /nfs/dbraw/zinc/19/58/81/518195881.db2.gz YDJRGEDDWPDUAP-QMMMGPOBSA-N 1 0 222.254 2.113 10 0 BEAERO CCOC(=O)[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000057354205 521297029 /nfs/dbraw/zinc/29/70/29/521297029.db2.gz ZDCJLUBIOKXQPU-NSHDSACASA-N 1 0 213.321 2.060 10 0 BEAERO C[NH2+][C@@H]1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000049709848 536378119 /nfs/dbraw/zinc/37/81/19/536378119.db2.gz QLWCSHGWBJWXGL-VXGBXAGGSA-N 1 0 234.343 2.272 10 0 BEAERO C[C@@H]1CCN(Cc2ccccc2)[C@H](C)[C@H]1[NH3+] ZINC000238860549 524514178 /nfs/dbraw/zinc/51/41/78/524514178.db2.gz ZWBZAXCNTIOTLB-BZPMIXESSA-N 1 0 218.344 2.244 10 0 BEAERO C[NH2+]Cc1cc(N2CC[C@@H](C)C[C@H]2C)ccn1 ZINC000051748747 536469076 /nfs/dbraw/zinc/46/90/76/536469076.db2.gz JEWNBMXEJWMFOH-VXGBXAGGSA-N 1 0 233.359 2.426 10 0 BEAERO CC(=O)Nc1cccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400562580 527071520 /nfs/dbraw/zinc/07/15/20/527071520.db2.gz IDHFWOQJLNVKIA-ZYHUDNBSSA-N 1 0 247.342 2.055 10 0 BEAERO CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000401600016 528435812 /nfs/dbraw/zinc/43/58/12/528435812.db2.gz ZCQUQDYADNZWHL-TZMCWYRMSA-N 1 0 249.354 2.288 10 0 BEAERO CCOc1cccc(N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400710981 528675004 /nfs/dbraw/zinc/67/50/04/528675004.db2.gz DODPYUQOBBZFJO-RYUDHWBXSA-N 1 0 234.343 2.495 10 0 BEAERO CCOc1ccccc1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400708106 528746394 /nfs/dbraw/zinc/74/63/94/528746394.db2.gz DCIBLZOIJADNFR-NEPJUHHUSA-N 1 0 234.343 2.495 10 0 BEAERO CCC[NH+]1CCN(c2ccccc2[C@H](C)O)CC1 ZINC000035650496 534936857 /nfs/dbraw/zinc/93/68/57/534936857.db2.gz KIRLEOVXFXMNDE-ZDUSSCGKSA-N 1 0 248.370 2.272 10 0 BEAERO CC(C)[C@H]([NH3+])CN1CCCc2ccccc21 ZINC000011805188 535067435 /nfs/dbraw/zinc/06/74/35/535067435.db2.gz JJZIVDREEROMJP-CYBMUJFWSA-N 1 0 218.344 2.423 10 0 BEAERO CC(C)(C)c1ccnc(N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000261553627 535134563 /nfs/dbraw/zinc/13/45/63/535134563.db2.gz AJBKZGPOBBYRPK-WDEREUQCSA-N 1 0 248.374 2.313 10 0 BEAERO CCC[NH2+]C1CCN(c2cnccc2C)CC1 ZINC000071413997 535157961 /nfs/dbraw/zinc/15/79/61/535157961.db2.gz VMSHIBYSDGFAOX-UHFFFAOYSA-N 1 0 233.359 2.358 10 0 BEAERO CC(C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163181381 535168257 /nfs/dbraw/zinc/16/82/57/535168257.db2.gz RJVSQZSTHPIMCO-XQQFMLRXSA-N 1 0 211.349 2.410 10 0 BEAERO CCC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000219332629 535408414 /nfs/dbraw/zinc/40/84/14/535408414.db2.gz FVPCTJPPLWCRAK-JHJVBQTASA-N 1 0 238.375 2.295 10 0 BEAERO CCOc1cccc(N2CCC([NH3+])CC2)c1 ZINC000042323427 535467188 /nfs/dbraw/zinc/46/71/88/535467188.db2.gz SXWMANCQDUQHKH-UHFFFAOYSA-N 1 0 220.316 2.013 10 0 BEAERO CC[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000180637038 535606907 /nfs/dbraw/zinc/60/69/07/535606907.db2.gz BLGRYQXLTFZBSB-MNOVXSKESA-N 1 0 236.363 2.104 10 0 BEAERO CCN(C)C(=O)C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000217400343 535726544 /nfs/dbraw/zinc/72/65/44/535726544.db2.gz MOAWYHBPDBVECA-AAEUAGOBSA-N 1 0 238.375 2.047 10 0 BEAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000218793098 535834937 /nfs/dbraw/zinc/83/49/37/535834937.db2.gz OISCTPXAGVSCBC-QJPTWQEYSA-N 1 0 231.380 2.187 10 0 BEAERO CCc1cccc(N2CC[NH2+]C[C@@H]2CC)c1 ZINC000016945079 535892681 /nfs/dbraw/zinc/89/26/81/535892681.db2.gz ISWXAZNWDWPEGC-ZDUSSCGKSA-N 1 0 218.344 2.437 10 0 BEAERO CC[C@@]1(C(=O)NCC2CCCCC2)CCC[NH2+]1 ZINC000215668531 536024295 /nfs/dbraw/zinc/02/42/95/536024295.db2.gz MMVQEPGOLYPAPY-AWEZNQCLSA-N 1 0 238.375 2.215 10 0 BEAERO CCn1cccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250326811 536101868 /nfs/dbraw/zinc/10/18/68/536101868.db2.gz AINGGRJQAHCIHI-KBPBESRZSA-N 1 0 247.386 2.224 10 0 BEAERO CCn1cccc1C[NH2+]C[C@@H]1CCCS1 ZINC000087667994 536101927 /nfs/dbraw/zinc/10/19/27/536101927.db2.gz ZNXHENZLRHKOMG-LBPRGKRZSA-N 1 0 224.373 2.493 10 0 BEAERO CCn1cccc1C[NH2+]CC1(O)CCCCC1 ZINC000091127929 536102441 /nfs/dbraw/zinc/10/24/41/536102441.db2.gz DEYCFZHFJJQTBN-UHFFFAOYSA-N 1 0 236.359 2.293 10 0 BEAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccno1 ZINC000227599928 536163086 /nfs/dbraw/zinc/16/30/86/536163086.db2.gz HDNXWJMKSMZNLL-QWHCGFSZSA-N 1 0 249.358 2.123 10 0 BEAERO COc1cccc(N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000083361288 537126359 /nfs/dbraw/zinc/12/63/59/537126359.db2.gz LAHUOMANJDLLNK-AWEZNQCLSA-N 1 0 234.343 2.129 10 0 BEAERO CCn1ccnc1[C@@H](Cc1ccccc1)[NH2+]C ZINC000069497450 537826268 /nfs/dbraw/zinc/82/62/68/537826268.db2.gz JEYPDAQLVVKQKB-CYBMUJFWSA-N 1 0 229.327 2.406 10 0 BEAERO CCn1ccnc1[C@H](Cc1ccccc1)[NH2+]C ZINC000069497452 537826423 /nfs/dbraw/zinc/82/64/23/537826423.db2.gz JEYPDAQLVVKQKB-ZDUSSCGKSA-N 1 0 229.327 2.406 10 0 BEAERO C[C@@]1(N)C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000725262770 538089446 /nfs/dbraw/zinc/08/94/46/538089446.db2.gz MGJHRSRVZQLENI-WDEREUQCSA-N 1 0 244.260 2.110 10 0 BEAERO C[C@]1(N)C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000725262768 538089702 /nfs/dbraw/zinc/08/97/02/538089702.db2.gz MGJHRSRVZQLENI-QWRGUYRKSA-N 1 0 244.260 2.110 10 0 BEAERO FC(F)(F)c1cccc([C@@H]2COCC[NH2+]2)c1 ZINC000076136657 566281228 /nfs/dbraw/zinc/28/12/28/566281228.db2.gz ACXAOKYNNKWHDN-JTQLQIEISA-N 1 0 231.217 2.366 10 0 BEAERO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)o1 ZINC000077205495 566297600 /nfs/dbraw/zinc/29/76/00/566297600.db2.gz PWGIVJIRZSBIJG-DGCLKSJQSA-N 1 0 223.316 2.229 10 0 BEAERO C[C@@H](CC1CCC1)[NH2+]Cc1cnn(C)c1 ZINC000132609347 566321421 /nfs/dbraw/zinc/32/14/21/566321421.db2.gz BHKKXASKAAADAC-JTQLQIEISA-N 1 0 207.321 2.088 10 0 BEAERO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C(C)(C)O1 ZINC000094423779 566358997 /nfs/dbraw/zinc/35/89/97/566358997.db2.gz PCPJEARLSLQPMJ-WOPDTQHZSA-N 1 0 241.375 2.226 10 0 BEAERO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H]2CCC2=O)C1 ZINC000669381202 566425781 /nfs/dbraw/zinc/42/57/81/566425781.db2.gz BETXGSLBNCXKBF-GRYCIOLGSA-N 1 0 209.333 2.334 10 0 BEAERO CC(C)(C)OC(=O)[C@H](C[NH3+])CC1CCCC1 ZINC000232497923 566491199 /nfs/dbraw/zinc/49/11/99/566491199.db2.gz GDLOCCUNKOUQCB-NSHDSACASA-N 1 0 227.348 2.483 10 0 BEAERO COc1ccc(SC)c2c1C[C@H]([NH3+])CC2 ZINC000006018094 560204284 /nfs/dbraw/zinc/20/42/84/560204284.db2.gz YCSXMTWSPWKFIE-MRVPVSSYSA-N 1 0 223.341 2.233 10 0 in-vitro BEAERO C[C@@H]1CC[NH2+][C@H]([C@@H]2CCC3(CC3)C2=O)C1 ZINC000706579146 582960491 /nfs/dbraw/zinc/96/04/91/582960491.db2.gz OESSPDZLELJNTN-VWYCJHECSA-N 1 0 207.317 2.134 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@H]1N(C)C1CCCCC1 ZINC000396721486 583089204 /nfs/dbraw/zinc/08/92/04/583089204.db2.gz UDVHILGGRQWVIK-AAEUAGOBSA-N 1 0 210.365 2.391 10 0 BEAERO CC[C@H](C(=O)[C@@H]1CC1(C)C)[C@H]1CCC[NH2+]1 ZINC000397689604 583106465 /nfs/dbraw/zinc/10/64/65/583106465.db2.gz WSUYOCPYDHCPRR-GARJFASQSA-N 1 0 209.333 2.380 10 0 BEAERO C[C@@H]([NH3+])Cc1ccc2c(c1Cl)CCN2 ZINC000029212880 581096349 /nfs/dbraw/zinc/09/63/49/581096349.db2.gz UWEORUSMUYMWMZ-SSDOTTSWSA-N 1 0 210.708 2.198 10 0 BEAERO CCCC(=O)c1nc(C)c(C[NH2+]C)s1 ZINC000757122910 582497709 /nfs/dbraw/zinc/49/77/09/582497709.db2.gz GFUJDKLIWWCMPY-UHFFFAOYSA-N 1 0 212.318 2.154 10 0 BEAERO Cc1nc(C(=O)CC(C)C)sc1CC[NH3+] ZINC000757122948 582497770 /nfs/dbraw/zinc/49/77/70/582497770.db2.gz HAJKAEPSMSWXER-UHFFFAOYSA-N 1 0 226.345 2.182 10 0 BEAERO C[NH2+]Cc1sc(C(=O)C(C)(C)C)nc1C ZINC000757127158 582502447 /nfs/dbraw/zinc/50/24/47/582502447.db2.gz XXSSNLDPADCRRH-UHFFFAOYSA-N 1 0 226.345 2.400 10 0 BEAERO C[C@@H]1[NH2+]CCC[C@@]12CCCN2CC(F)(F)F ZINC000757133791 582510468 /nfs/dbraw/zinc/51/04/68/582510468.db2.gz UIHGXXYJBIZCLB-VHSXEESVSA-N 1 0 236.281 2.155 10 0 BEAERO CCC[C@@H]1CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757138156 582517156 /nfs/dbraw/zinc/51/71/56/582517156.db2.gz BABOWOAWXRPWGW-VXGBXAGGSA-N 1 0 213.321 2.062 10 0 BEAERO CC(C)[C@H]1[NH2+][C@]2(CCCOC2)OCC12CCC2 ZINC000757139005 582518942 /nfs/dbraw/zinc/51/89/42/582518942.db2.gz FIENFZIWFBBLBY-TZMCWYRMSA-N 1 0 239.359 2.308 10 0 BEAERO C1CC2(C1)C[NH2+]C1(CCOCC1)OC21CCC1 ZINC000757139178 582519776 /nfs/dbraw/zinc/51/97/76/582519776.db2.gz GCRLZDLSKLKXJD-UHFFFAOYSA-N 1 0 237.343 2.206 10 0 BEAERO CC(C)[C@@H]1C[NH2+]C2(CC(CF)(CF)C2)OC1 ZINC000757140663 582521002 /nfs/dbraw/zinc/52/10/02/582521002.db2.gz BQWQGIXGBIYVCR-SNVBAGLBSA-N 1 0 233.302 2.294 10 0 BEAERO c1ccc([C@@H]2CCO[C@]3(CCCOC3)[NH2+]2)cc1 ZINC000757143273 582523592 /nfs/dbraw/zinc/52/35/92/582523592.db2.gz VUORFAGZNIMXQU-KBPBESRZSA-N 1 0 233.311 2.244 10 0 BEAERO COc1ccc([C@H]2CCO[C@@H](C)[NH2+]2)cc1 ZINC000757143387 582523655 /nfs/dbraw/zinc/52/36/55/582523655.db2.gz WMRLINFWQQPDEE-JOYOIKCWSA-N 1 0 207.273 2.092 10 0 BEAERO [NH3+]C[C@H]1CCN1Cc1ccc(Cl)c(F)c1 ZINC000757147990 582532251 /nfs/dbraw/zinc/53/22/51/582532251.db2.gz VAXREZOZBBNAEH-SECBINFHSA-N 1 0 228.698 2.012 10 0 BEAERO CC1CCC2(CC1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757148544 582532797 /nfs/dbraw/zinc/53/27/97/582532797.db2.gz UXQWQSNSMVJQQK-OTTFEQOBSA-N 1 0 225.332 2.062 10 0 BEAERO c1ccc(C[C@H]2CCO[C@@]3(CCCOC3)[NH2+]2)cc1 ZINC000757148540 582532924 /nfs/dbraw/zinc/53/29/24/582532924.db2.gz NNRZFUYPKRJPFL-HUUCEWRRSA-N 1 0 247.338 2.114 10 0 BEAERO c1ccc(C[C@@H]2CCO[C@]3(CCCOC3)[NH2+]2)cc1 ZINC000757148532 582533291 /nfs/dbraw/zinc/53/32/91/582533291.db2.gz NNRZFUYPKRJPFL-GJZGRUSLSA-N 1 0 247.338 2.114 10 0 BEAERO CC[C@@H]1[NH2+][C@@H](Cc2ccccc2)CCO1 ZINC000757150175 582534313 /nfs/dbraw/zinc/53/43/13/582534313.db2.gz PFTNOMORYAEGSR-CHWSQXEVSA-N 1 0 205.301 2.344 10 0 BEAERO CCC1(CC)O[C@]2(CCN(C)C2)[NH2+]CC1(C)C ZINC000757151139 582535746 /nfs/dbraw/zinc/53/57/46/582535746.db2.gz YYPBHYNUPXJCEP-AWEZNQCLSA-N 1 0 240.391 2.223 10 0 BEAERO CCC1(CC)C[NH2+][C@@]2(COC(C)(C)C2)OC1 ZINC000757151776 582536072 /nfs/dbraw/zinc/53/60/72/582536072.db2.gz TVQWEDPHPILVTH-CYBMUJFWSA-N 1 0 227.348 2.308 10 0 BEAERO C[C@@H]1CC(C)(C)O[C@]2(CCCSC2)[NH2+]1 ZINC000757153446 582537144 /nfs/dbraw/zinc/53/71/44/582537144.db2.gz VVGWFAVEQMMFSK-KOLCDFICSA-N 1 0 215.362 2.387 10 0 BEAERO C[C@@]([NH3+])(CO)CCSCc1ccc(Cl)o1 ZINC000757166839 582548182 /nfs/dbraw/zinc/54/81/82/582548182.db2.gz WYGCYKCRBYVAKV-JTQLQIEISA-N 1 0 249.763 2.266 10 0 BEAERO CCc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000400487397 582579105 /nfs/dbraw/zinc/57/91/05/582579105.db2.gz ZSYDVOCIQPKLNN-GFCCVEGCSA-N 1 0 233.340 2.269 10 0 BEAERO Cc1cn2c([nH+]1)N[C@@H](c1nccs1)CC2 ZINC000236044910 582637477 /nfs/dbraw/zinc/63/74/77/582637477.db2.gz UXDMYSQAJLZXGP-MRVPVSSYSA-N 1 0 220.301 2.205 10 0 BEAERO CC(C)(C)c1nc2ccccn2c1C[NH3+] ZINC000031975668 582673477 /nfs/dbraw/zinc/67/34/77/582673477.db2.gz CGYROGUVKQXPNR-UHFFFAOYSA-N 1 0 203.289 2.091 10 0 BEAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1ncccn1 ZINC000037467204 582675022 /nfs/dbraw/zinc/67/50/22/582675022.db2.gz WHMOCOODBJESGE-LLVKDONJSA-N 1 0 233.702 2.373 10 0 BEAERO C[C@@H](NC(=O)c1c[nH+]ccc1N)C1CCCCC1 ZINC000127623767 582816253 /nfs/dbraw/zinc/81/62/53/582816253.db2.gz KVGBTLLNXCOBGA-SNVBAGLBSA-N 1 0 247.342 2.362 10 0 BEAERO CCOC(=O)C[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000390381971 582893339 /nfs/dbraw/zinc/89/33/39/582893339.db2.gz ZYXBZTVZNAPELT-LLVKDONJSA-N 1 0 227.348 2.483 10 0 BEAERO CC[C@@H](Cc1cccs1)[NH2+][C@@H]1C[C@H]1CO ZINC000393204742 582911377 /nfs/dbraw/zinc/91/13/77/582911377.db2.gz DCFYGPYYZNILOK-JBLDHEPKSA-N 1 0 225.357 2.040 10 0 BEAERO C[C@H]1CCC[C@@H](CC(=O)C2(Cl)CC2)[NH2+]1 ZINC000702366506 582925991 /nfs/dbraw/zinc/92/59/91/582925991.db2.gz ZNMCSPVVAVCVNP-IUCAKERBSA-N 1 0 215.724 2.248 10 0 BEAERO CC[C@H](CC(F)F)Cn1cc[nH+]c1N ZINC000702619053 582926346 /nfs/dbraw/zinc/92/63/46/582926346.db2.gz LGXSWDJZMNYFJA-SSDOTTSWSA-N 1 0 203.236 2.147 10 0 BEAERO C[C@H](C(=O)C(F)(F)F)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000702912346 582930002 /nfs/dbraw/zinc/93/00/02/582930002.db2.gz GLMNRPRXFCEHIJ-CSMHCCOUSA-N 1 0 223.238 2.142 10 0 BEAERO C[C@@H]1CCC[C@@H]([C@@H]2CCC3(CC3)C2=O)[NH2+]1 ZINC000706579041 582960402 /nfs/dbraw/zinc/96/04/02/582960402.db2.gz LAMYXRACLABJJT-VWYCJHECSA-N 1 0 207.317 2.276 10 0 BEAERO O=C1[C@@H]([C@@H]2CCCCC[NH2+]2)CCC12CC2 ZINC000706578614 582960591 /nfs/dbraw/zinc/96/05/91/582960591.db2.gz DFHXGQPZKSGXIO-MNOVXSKESA-N 1 0 207.317 2.278 10 0 BEAERO CC[C@@H]([NH2+]CCCn1cncn1)C(C)(C)C ZINC000309993185 583083911 /nfs/dbraw/zinc/08/39/11/583083911.db2.gz BNLXSKVZEANIGE-LLVKDONJSA-N 1 0 224.352 2.083 10 0 BEAERO CCC[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675080906 583200684 /nfs/dbraw/zinc/20/06/84/583200684.db2.gz XUGZTXKKICQJRW-SWHYSGLUSA-N 1 0 246.354 2.164 10 0 BEAERO CCC(CC)c1cc2n(n1)[C@H](C[NH3+])CCN2 ZINC000232869539 583205356 /nfs/dbraw/zinc/20/53/56/583205356.db2.gz OAYGLVQHGCKCCT-JTQLQIEISA-N 1 0 222.336 2.102 10 0 BEAERO CC/C=C(/C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123312271 585022453 /nfs/dbraw/zinc/02/24/53/585022453.db2.gz YXGRBLIKOKEWCJ-CUOXCHRPSA-N 1 0 238.375 2.284 10 0 BEAERO CCC[C@H]1CCC[N@H+](CN2CCOC2=S)C1 ZINC000121344024 585068194 /nfs/dbraw/zinc/06/81/94/585068194.db2.gz BTHPKSVERZMPFD-NSHDSACASA-N 1 0 242.388 2.073 10 0 BEAERO COc1ccc([C@@H]2CCOC(C)(C)[NH2+]2)cc1 ZINC000757140210 586427831 /nfs/dbraw/zinc/42/78/31/586427831.db2.gz KXFSGSIPFUMCQO-LBPRGKRZSA-N 1 0 221.300 2.482 10 0 BEAERO CC[NH2+]CC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757159830 586430751 /nfs/dbraw/zinc/43/07/51/586430751.db2.gz QGYJLLINZFFDGN-UHFFFAOYSA-N 1 0 225.719 2.370 10 0 BEAERO C[NH2+]CC[S@](=O)Cc1ccc(Cl)c(C)c1 ZINC000757160882 586432196 /nfs/dbraw/zinc/43/21/96/586432196.db2.gz UGWXDPVMPUZQFR-HNNXBMFYSA-N 1 0 245.775 2.117 10 0 BEAERO Cc1cc(C[C@H](O)C[C@@H](C)[NH3+])ccc1Cl ZINC000757160704 586432396 /nfs/dbraw/zinc/43/23/96/586432396.db2.gz SNGFWICSOUTCMH-MWLCHTKSSA-N 1 0 227.735 2.289 10 0 BEAERO C[C@H]1C[NH2+]CC[C@H]1c1ccc(C=O)s1 ZINC000757207077 586437251 /nfs/dbraw/zinc/43/72/51/586437251.db2.gz AYBRUFQURNVIGS-WCBMZHEXSA-N 1 0 209.314 2.274 10 0 BEAERO [NH3+]C[C@@H]1OCC[C@]12CCC[C@@H](C(F)(F)F)C2 ZINC000757206754 586437331 /nfs/dbraw/zinc/43/73/31/586437331.db2.gz BMZFLCBHUNHDRF-UTLUCORTSA-N 1 0 237.265 2.473 10 0 BEAERO CCCC[C@H]1[NH2+]CCC[C@H]1C(=O)OCC ZINC000757208624 586437677 /nfs/dbraw/zinc/43/76/77/586437677.db2.gz AFNDPLHARKADIR-GHMZBOCLSA-N 1 0 213.321 2.108 10 0 BEAERO CCCCc1ccc(N)c2c1CC[NH2+]C2 ZINC000757213329 586439557 /nfs/dbraw/zinc/43/95/57/586439557.db2.gz JNAAFYLOUYNQSB-UHFFFAOYSA-N 1 0 204.317 2.257 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1c1ccc(C=O)s1 ZINC000757217790 586441643 /nfs/dbraw/zinc/44/16/43/586441643.db2.gz SJGILBGZVUCIKP-SCZZXKLOSA-N 1 0 209.314 2.416 10 0 BEAERO C[C@@H]1N[C@@H](c2cccc3cc[nH]c32)CC[C@H]1[NH3+] ZINC000757218276 586441880 /nfs/dbraw/zinc/44/18/80/586441880.db2.gz UUIAZCQENYZUNX-ZWKOPEQDSA-N 1 0 229.327 2.308 10 0 BEAERO CC1(c2ccc([C@@H]3CC[C@H]([NH3+])CN3)cc2)CC1 ZINC000757219276 586442364 /nfs/dbraw/zinc/44/23/64/586442364.db2.gz WKFQANWOPLQQNT-KBPBESRZSA-N 1 0 230.355 2.490 10 0 BEAERO C[C@@H]1CCN[C@H](c2cccc3cc[nH]c32)[C@@H]1[NH3+] ZINC000757219367 586442440 /nfs/dbraw/zinc/44/24/40/586442440.db2.gz WYNNQICSHAZCHA-GAJTVXKRSA-N 1 0 229.327 2.166 10 0 BEAERO CC(C)[C@@H]1CCC[C@@]2(CC(=O)O[C@H]2C[NH3+])C1 ZINC000757224094 586442686 /nfs/dbraw/zinc/44/26/86/586442686.db2.gz NYTJJEBQFUYHMR-MDZLAQPJSA-N 1 0 225.332 2.093 10 0 BEAERO C[C@H]1[NH2+]CCC[C@@H]1c1cnn(C(C)(C)C)c1 ZINC000757228171 586442737 /nfs/dbraw/zinc/44/27/37/586442737.db2.gz BXGBPFCVLFCLME-PWSUYJOCSA-N 1 0 221.348 2.494 10 0 BEAERO C[C@]1([NH3+])CC=C(c2ccc(C(N)=O)cc2)CC1 ZINC000757571441 586462392 /nfs/dbraw/zinc/46/23/92/586462392.db2.gz KUPMRAJKGFFBPS-AWEZNQCLSA-N 1 0 230.311 2.070 10 0 BEAERO C[C@@H]([NH3+])CCc1nc(-c2cccc(F)c2)no1 ZINC000109504230 588563793 /nfs/dbraw/zinc/56/37/93/588563793.db2.gz ZXGJLIHDTZBKQB-MRVPVSSYSA-N 1 0 235.262 2.156 10 0 BEAERO Cc1ccc(Cc2noc(CC[C@@H](C)[NH3+])n2)cc1 ZINC000109507740 588564304 /nfs/dbraw/zinc/56/43/04/588564304.db2.gz BTKZDEBRCCSFRV-LLVKDONJSA-N 1 0 245.326 2.249 10 0 BEAERO Cc1ccc(F)cc1-c1noc(CC[C@@H](C)[NH3+])n1 ZINC000109512219 588564502 /nfs/dbraw/zinc/56/45/02/588564502.db2.gz KTJYZBCVEFTJOM-SECBINFHSA-N 1 0 249.289 2.464 10 0 BEAERO Cc1cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c(C)o1 ZINC000122130112 589556783 /nfs/dbraw/zinc/55/67/83/589556783.db2.gz ZFAWIFNSNBSKJW-HWPZZCPQSA-N 1 0 243.372 2.143 10 0 BEAERO COC[C@@H](C)C[NH2+]CCSC(F)(F)F ZINC000123356590 589691362 /nfs/dbraw/zinc/69/13/62/589691362.db2.gz BVIPXZSISJCCOD-ZETCQYMHSA-N 1 0 231.283 2.112 10 0 BEAERO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2C)c(C)o1 ZINC000123716451 589776988 /nfs/dbraw/zinc/77/69/88/589776988.db2.gz CPLGLKZUHKNADP-CMPLNLGQSA-N 1 0 209.289 2.163 10 0 BEAERO CCC[C@H](C)C[NH2+]CCc1nnc2ccccn21 ZINC000020128283 590076795 /nfs/dbraw/zinc/07/67/95/590076795.db2.gz KKMIYPYNPYGYSQ-LBPRGKRZSA-N 1 0 246.358 2.298 10 0 BEAERO CN(Cc1cccc(C(F)F)c1)C1C[NH2+]C1 ZINC000124797186 590085280 /nfs/dbraw/zinc/08/52/80/590085280.db2.gz OSJGGBWQBPJPOC-UHFFFAOYSA-N 1 0 226.270 2.028 10 0 BEAERO CCCCCC[NH2+]CC(C)(C)N1CCOCC1 ZINC000020361809 590103112 /nfs/dbraw/zinc/10/31/12/590103112.db2.gz XRNFJKZQGINTNU-UHFFFAOYSA-N 1 0 242.407 2.267 10 0 BEAERO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccoc1 ZINC000125107147 590120766 /nfs/dbraw/zinc/12/07/66/590120766.db2.gz AYSIUOQAAZHXGA-LLVKDONJSA-N 1 0 211.305 2.166 10 0 BEAERO C[C@@H](O)c1ccc(N(C)C2CCC2)nc1 ZINC000127605920 590722888 /nfs/dbraw/zinc/72/28/88/590722888.db2.gz WEXJVQVMZHXIIB-SECBINFHSA-N 1 0 206.289 2.124 10 0 BEAERO Cc1cc(C[NH2+]C(C)(C)[C@H](C)O)c(C)o1 ZINC000127789876 590777598 /nfs/dbraw/zinc/77/75/98/590777598.db2.gz KXKUUXCWZREMNN-JTQLQIEISA-N 1 0 211.305 2.145 10 0 BEAERO C[C@H]1CCCN(CC[NH2+][C@@H]2CCCSC2)C1 ZINC000128244713 590950365 /nfs/dbraw/zinc/95/03/65/590950365.db2.gz KXOBFNGZPJGXKF-QWHCGFSZSA-N 1 0 242.432 2.204 10 0 BEAERO CC[C@@H](C)c1noc(-c2ccnc(C[NH3+])c2)n1 ZINC000129710981 591379993 /nfs/dbraw/zinc/37/99/93/591379993.db2.gz CLFQAPGJJLLOON-MRVPVSSYSA-N 1 0 232.287 2.104 10 0 BEAERO COCCOC[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000130249840 591451625 /nfs/dbraw/zinc/45/16/25/591451625.db2.gz TXAFRLLXVSDQMD-VXGBXAGGSA-N 1 0 229.364 2.206 10 0 BEAERO CC1(C)C[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000130986196 591539835 /nfs/dbraw/zinc/53/98/35/591539835.db2.gz YPTUOBURNUYZMP-NSHDSACASA-N 1 0 218.300 2.130 10 0 BEAERO c1cc(C[NH2+]C[C@H]2CSCCS2)co1 ZINC000131153674 591559683 /nfs/dbraw/zinc/55/96/83/591559683.db2.gz JKAAPVGWRVICNX-JTQLQIEISA-N 1 0 229.370 2.218 10 0 BEAERO Cc1cccc(-c2nc([C@H](C)C[NH3+])no2)c1F ZINC000132282870 591697949 /nfs/dbraw/zinc/69/79/49/591697949.db2.gz FGKYLFLYCHOJDA-MRVPVSSYSA-N 1 0 235.262 2.246 10 0 BEAERO CC(C)(CO)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000134460342 591928926 /nfs/dbraw/zinc/92/89/26/591928926.db2.gz ZLGWCRTZWJNSRD-GFCCVEGCSA-N 1 0 223.291 2.174 10 0 BEAERO C[C@H](C[NH2+][C@@H]1CCCSC1)Cn1ccnc1 ZINC000134805606 591951266 /nfs/dbraw/zinc/95/12/66/591951266.db2.gz ZGIGVEFGTSLZKW-VXGBXAGGSA-N 1 0 239.388 2.004 10 0 BEAERO COCCC[NH2+]Cc1cncc2ccccc21 ZINC000135370398 592009980 /nfs/dbraw/zinc/00/99/80/592009980.db2.gz YFKNTYDFVQCSBD-UHFFFAOYSA-N 1 0 230.311 2.361 10 0 BEAERO CC1(C[NH2+]Cc2cncc3ccccc32)COC1 ZINC000135379230 592010446 /nfs/dbraw/zinc/01/04/46/592010446.db2.gz CLCCAFNYUGVCAC-UHFFFAOYSA-N 1 0 242.322 2.361 10 0 BEAERO CC(C)(CO)C[NH2+]Cc1cncc2ccccc21 ZINC000135381836 592010986 /nfs/dbraw/zinc/01/09/86/592010986.db2.gz XUJVFVUSCDRGCN-UHFFFAOYSA-N 1 0 244.338 2.343 10 0 BEAERO Cc1ccccc1[C@H](O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000217597925 592137728 /nfs/dbraw/zinc/13/77/28/592137728.db2.gz IYWRVDXLOVGRMR-DZGCQCFKSA-N 1 0 249.354 2.139 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@H](C(C)C)C2 ZINC000300314496 592506588 /nfs/dbraw/zinc/50/65/88/592506588.db2.gz BEJYAJXCKAWCTN-OBJOEFQTSA-N 1 0 239.359 2.211 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@H](C(C)C)C2 ZINC000300314497 592506617 /nfs/dbraw/zinc/50/66/17/592506617.db2.gz BEJYAJXCKAWCTN-SGMGOOAPSA-N 1 0 239.359 2.211 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000300733149 592518449 /nfs/dbraw/zinc/51/84/49/592518449.db2.gz OGYLCQFFOPIRQG-IHRRRGAJSA-N 1 0 246.354 2.210 10 0 BEAERO CC(C)(C)CCc1noc([C@H]2CC[NH2+]C2)n1 ZINC000300817752 592521443 /nfs/dbraw/zinc/52/14/43/592521443.db2.gz GRDCEYLZZJPOHE-VIFPVBQESA-N 1 0 223.320 2.125 10 0 BEAERO CC(C)(C)CCc1noc([C@@H]2CC[NH2+]C2)n1 ZINC000300817741 592521532 /nfs/dbraw/zinc/52/15/32/592521532.db2.gz GRDCEYLZZJPOHE-SECBINFHSA-N 1 0 223.320 2.125 10 0 BEAERO C[C@H]([NH3+])CN(C)C(=O)c1cccc2ccccc21 ZINC000104308175 592610997 /nfs/dbraw/zinc/61/09/97/592610997.db2.gz JBPHQBFTZFJZJB-NSHDSACASA-N 1 0 242.322 2.259 10 0 BEAERO Cc1cc(C(C)C)nc(NCC2CC([NH3+])C2)n1 ZINC000122747073 592712838 /nfs/dbraw/zinc/71/28/38/592712838.db2.gz VWMDWZJPQCTOFR-UHFFFAOYSA-N 1 0 234.347 2.058 10 0 BEAERO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000162797324 634378581 /nfs/dbraw/zinc/37/85/81/634378581.db2.gz CLMXZFZDHKFIGH-NWDGAFQWSA-N 1 0 240.391 2.175 10 0 BEAERO CCN1CCC[C@@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928143 634402928 /nfs/dbraw/zinc/40/29/28/634402928.db2.gz DJWZYRWAMKQSIS-KGLIPLIRSA-N 1 0 245.370 2.143 10 0 BEAERO OC[C@@H]1CCCCC[N@@H+]1Cc1ccoc1 ZINC000124799836 634433105 /nfs/dbraw/zinc/43/31/05/634433105.db2.gz UMMQERVWMCIMHH-LBPRGKRZSA-N 1 0 209.289 2.017 10 0 BEAERO CC(C)(CO)[NH2+]Cc1cccc(C(F)F)c1 ZINC000124738465 634433881 /nfs/dbraw/zinc/43/38/81/634433881.db2.gz MGXDKDSNZOZWBP-UHFFFAOYSA-N 1 0 229.270 2.485 10 0 BEAERO CCC(CC)CNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000125062474 634456710 /nfs/dbraw/zinc/45/67/10/634456710.db2.gz OBIJISHORUCGQR-STQMWFEESA-N 1 0 240.391 2.304 10 0 BEAERO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)cc1C ZINC000336766941 635285367 /nfs/dbraw/zinc/28/53/67/635285367.db2.gz SOZSSVKPMRISMS-NWDGAFQWSA-N 1 0 207.317 2.162 10 0 BEAERO C[C@H]1C[N@H+](CCC(=O)C(C)(C)C)CC(C)(C)O1 ZINC000054026643 635326110 /nfs/dbraw/zinc/32/61/10/635326110.db2.gz VFYCTOXZKCFPEE-NSHDSACASA-N 1 0 241.375 2.491 10 0 BEAERO C[N@H+](CCC(=O)C(C)(C)C)C[C@@H]1CCCO1 ZINC000054026618 635326682 /nfs/dbraw/zinc/32/66/82/635326682.db2.gz MMQMXUJGLNZQQH-NSHDSACASA-N 1 0 227.348 2.103 10 0 BEAERO CC1(C)C[C@H]1c1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000225475194 635407657 /nfs/dbraw/zinc/40/76/57/635407657.db2.gz GBQASJNLEISPHQ-ZJUUUORDSA-N 1 0 235.331 2.125 10 0 BEAERO [NH3+][C@@H]1CC[C@H](c2nc([C@@H]3CCCS3)no2)C1 ZINC000227082682 635446248 /nfs/dbraw/zinc/44/62/48/635446248.db2.gz MAOMURUUJUBJKA-YIZRAAEISA-N 1 0 239.344 2.233 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2ncnc3ccsc32)C1 ZINC000227641971 635454075 /nfs/dbraw/zinc/45/40/75/635454075.db2.gz ISFCRBQKKANYQT-DTWKUNHWSA-N 1 0 248.355 2.231 10 0 BEAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H](C)O ZINC000308629746 631343893 /nfs/dbraw/zinc/34/38/93/631343893.db2.gz YLSOTBRZCQLGFI-UTLUCORTSA-N 1 0 213.346 2.476 10 0 BEAERO C1C[NH2+][C@H](c2nc([C@@H]3CCCCS3)no2)C1 ZINC000087700229 631483564 /nfs/dbraw/zinc/48/35/64/631483564.db2.gz CSANAKNVIQRWEK-IUCAKERBSA-N 1 0 239.344 2.452 10 0 BEAERO CSc1ccc(C[NH2+][C@@H](C)[C@H](C)O)s1 ZINC000308714199 631531213 /nfs/dbraw/zinc/53/12/13/631531213.db2.gz AMKPRVLTGGXFGE-YUMQZZPRSA-N 1 0 231.386 2.329 10 0 BEAERO CCc1cccc(C)c1NC(=O)C1CC([NH3+])C1 ZINC000258630262 631562522 /nfs/dbraw/zinc/56/25/22/631562522.db2.gz CZPGDVAOAWFMPB-UHFFFAOYSA-N 1 0 232.327 2.233 10 0 BEAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000337650440 635649529 /nfs/dbraw/zinc/64/95/29/635649529.db2.gz KVPCGEXHGUTKOP-RXGFPQBGSA-N 1 0 209.333 2.068 10 0 BEAERO CCCCC[C@H](C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000178702618 635654307 /nfs/dbraw/zinc/65/43/07/635654307.db2.gz XGNAGSREQDEMJQ-NWDGAFQWSA-N 1 0 228.380 2.446 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000309031379 631805380 /nfs/dbraw/zinc/80/53/80/631805380.db2.gz DZJMOEWAYGVFQZ-YUMQZZPRSA-N 1 0 231.698 2.338 10 0 BEAERO Cc1nc([C@H](C)[NH2+][C@H](C)[C@H](C)O)c(C)s1 ZINC000309030959 631806296 /nfs/dbraw/zinc/80/62/96/631806296.db2.gz DTAPHUPRVGMBSM-CSMHCCOUSA-N 1 0 228.361 2.180 10 0 BEAERO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000049948888 631918221 /nfs/dbraw/zinc/91/82/21/631918221.db2.gz NRDRJLYQTGZSGR-NEPJUHHUSA-N 1 0 209.289 2.245 10 0 BEAERO CC(=O)CC[N@@H+](C)Cc1cccc(C)c1 ZINC000050159076 631948537 /nfs/dbraw/zinc/94/85/37/631948537.db2.gz ZPQGFKNYKYZPGQ-UHFFFAOYSA-N 1 0 205.301 2.406 10 0 BEAERO C[NH2+]CCc1noc(CCC2CCCCC2)n1 ZINC000051850836 631965294 /nfs/dbraw/zinc/96/52/94/631965294.db2.gz ZOLZHRAYHJXSOU-UHFFFAOYSA-N 1 0 237.347 2.344 10 0 BEAERO C[NH2+]CCc1noc(C[C@@H](C)CC(C)(C)C)n1 ZINC000051850897 631965297 /nfs/dbraw/zinc/96/52/97/631965297.db2.gz OVAQNQVAPDIINS-SNVBAGLBSA-N 1 0 239.363 2.446 10 0 BEAERO CS[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000235128144 632036778 /nfs/dbraw/zinc/03/67/78/632036778.db2.gz ATCFOYADXKAGOP-NNYUYHANSA-N 1 0 229.389 2.164 10 0 BEAERO [NH2+]=C(NCC[C@H]1CCCO1)NC1CCCCC1 ZINC000052047798 632056517 /nfs/dbraw/zinc/05/65/17/632056517.db2.gz LYSHKWQYWXGHSF-GFCCVEGCSA-N 1 0 239.363 2.002 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000052278447 632116109 /nfs/dbraw/zinc/11/61/09/632116109.db2.gz XCMFFTJZRWWVFA-FXAINCCUSA-N 1 0 225.719 2.371 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2cc(F)ccc2F)n1 ZINC000054158852 635776862 /nfs/dbraw/zinc/77/68/62/635776862.db2.gz GBEUEKNRYUBVRZ-ZCFIWIBFSA-N 1 0 239.225 2.077 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)C[NH3+])no2)cc1F ZINC000054158781 635776978 /nfs/dbraw/zinc/77/69/78/635776978.db2.gz WNXGTIVIGZPKMV-QMMMGPOBSA-N 1 0 235.262 2.246 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309544523 632482769 /nfs/dbraw/zinc/48/27/69/632482769.db2.gz ZHLZYJWNZYBXIQ-RFQIPJPRSA-N 1 0 223.360 2.316 10 0 BEAERO C[C@H](CNC(=O)C1CCC([NH3+])CC1)C(C)(C)C ZINC000162004745 632485954 /nfs/dbraw/zinc/48/59/54/632485954.db2.gz RCGRFWIMEISYMV-VOMCLLRMSA-N 1 0 240.391 2.302 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000309046444 632624992 /nfs/dbraw/zinc/62/49/92/632624992.db2.gz OXSHZINCQYBCAK-UKJIMTQDSA-N 1 0 211.349 2.314 10 0 BEAERO CCC1CCC(NC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000310112830 632700999 /nfs/dbraw/zinc/70/09/99/632700999.db2.gz QNWQRANWLMQANE-KGPNIALWSA-N 1 0 238.375 2.199 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C\Cl ZINC000255830345 632742963 /nfs/dbraw/zinc/74/29/63/632742963.db2.gz OIFFEVFWAOCBHP-CZVUKNJHSA-N 1 0 228.767 2.298 10 0 BEAERO C[C@H]1CCCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000052043581 632782265 /nfs/dbraw/zinc/78/22/65/632782265.db2.gz LTWKRAFDGNHIRD-VHSXEESVSA-N 1 0 209.337 2.089 10 0 BEAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310686612 632886359 /nfs/dbraw/zinc/88/63/59/632886359.db2.gz MYXIXSWDMFKVMF-FZMZJTMJSA-N 1 0 246.354 2.300 10 0 BEAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C(C)C)cc1 ZINC000166459547 633113959 /nfs/dbraw/zinc/11/39/59/633113959.db2.gz YHJWCECYRGZTSG-ZIAGYGMSSA-N 1 0 247.338 2.286 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]CC12CCC(CC)CC2 ZINC000166544955 633118409 /nfs/dbraw/zinc/11/84/09/633118409.db2.gz GCWQJRHDYDJVEC-LXVYMNJGSA-N 1 0 239.359 2.356 10 0 BEAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)c(C)c1 ZINC000166603145 633119342 /nfs/dbraw/zinc/11/93/42/633119342.db2.gz QAPUGDDCBVOCAJ-KGLIPLIRSA-N 1 0 247.338 2.170 10 0 BEAERO CC[C@H](C)c1noc(C2(C[NH3+])CCCC2)n1 ZINC000168107830 633138018 /nfs/dbraw/zinc/13/80/18/633138018.db2.gz LHUKFIPMFVPSLZ-VIFPVBQESA-N 1 0 223.320 2.354 10 0 BEAERO CCC[C@H](C)Cc1nc([C@@H](C)C[NH3+])no1 ZINC000309512500 633184288 /nfs/dbraw/zinc/18/42/88/633184288.db2.gz XTJWOJIOBRCEQP-IUCAKERBSA-N 1 0 211.309 2.111 10 0 BEAERO OC[C@H]1CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000309528146 633188420 /nfs/dbraw/zinc/18/84/20/633188420.db2.gz VGEOCAVTLZVIEO-DGCLKSJQSA-N 1 0 223.360 2.460 10 0 BEAERO C[C@@H]1C[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000307620727 635990703 /nfs/dbraw/zinc/99/07/03/635990703.db2.gz FQKQMRPMVCWWFR-NXEZZACHSA-N 1 0 242.363 2.288 10 0 BEAERO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2=O)o1 ZINC000182579122 633951450 /nfs/dbraw/zinc/95/14/50/633951450.db2.gz PGUCFCBOHRUQNW-GHMZBOCLSA-N 1 0 237.299 2.192 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309952322 633973463 /nfs/dbraw/zinc/97/34/63/633973463.db2.gz GSDZFDZNCZADGZ-RKDXNWHRSA-N 1 0 242.388 2.300 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000309952624 633975089 /nfs/dbraw/zinc/97/50/89/633975089.db2.gz GVZFCTHEPQVLKX-HRDYMLBCSA-N 1 0 229.270 2.385 10 0 BEAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000309964703 633991607 /nfs/dbraw/zinc/99/16/07/633991607.db2.gz MXLWIBUCXYHHFV-DTWKUNHWSA-N 1 0 240.372 2.270 10 0 BEAERO C[C@H](C[NH3+])c1noc(-c2cccc(F)c2F)n1 ZINC000054214946 636146198 /nfs/dbraw/zinc/14/61/98/636146198.db2.gz DLCGWOCNMWBKOA-ZCFIWIBFSA-N 1 0 239.225 2.077 10 0 BEAERO C[C@H](CC(C)(C)O)[NH2+]CCc1ccccc1 ZINC000309735008 633997397 /nfs/dbraw/zinc/99/73/97/633997397.db2.gz GGBAMOWCHVOXMP-GFCCVEGCSA-N 1 0 221.344 2.368 10 0 BEAERO Cc1cc(C)c(C[NH2+][C@@H](C)[C@H](C)O)cc1C ZINC000309968498 633997748 /nfs/dbraw/zinc/99/77/48/633997748.db2.gz OKTAYXMUMSCSHG-STQMWFEESA-N 1 0 221.344 2.471 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000309980036 634018964 /nfs/dbraw/zinc/01/89/64/634018964.db2.gz VTHHFJJSXNZRGG-DKEVHCRPSA-N 1 0 239.281 2.466 10 0 BEAERO CC[NH+](CC)[C@@H](C)CNCc1ccc(F)nc1 ZINC000188982555 634157936 /nfs/dbraw/zinc/15/79/36/634157936.db2.gz MDJWULCZYJAGKB-NSHDSACASA-N 1 0 239.338 2.041 10 0 BEAERO C(COC1CCOCC1)[NH2+]CC1CCCCC1 ZINC000053590961 634255475 /nfs/dbraw/zinc/25/54/75/634255475.db2.gz FYZXRBNCNMYBOY-UHFFFAOYSA-N 1 0 241.375 2.352 10 0 BEAERO Cc1cc(C)cc(Cc2noc(C[C@@H](C)[NH3+])n2)c1 ZINC000053749233 634359880 /nfs/dbraw/zinc/35/98/80/634359880.db2.gz KKODHOLBBNLIRB-LLVKDONJSA-N 1 0 245.326 2.167 10 0 BEAERO CC(C)[C@H](CO)C[NH2+]CCc1ccccc1 ZINC000258684702 635187196 /nfs/dbraw/zinc/18/71/96/635187196.db2.gz PSOMDXQTOGDUTE-AWEZNQCLSA-N 1 0 221.344 2.083 10 0 BEAERO CCSc1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000259167272 635247925 /nfs/dbraw/zinc/24/79/25/635247925.db2.gz VRAHUUSTGFFEBB-LBPRGKRZSA-N 1 0 236.384 2.250 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000336782473 635283285 /nfs/dbraw/zinc/28/32/85/635283285.db2.gz XTNHCRDYOTXKJH-WZQADMAKSA-N 1 0 223.291 2.198 10 0 BEAERO CCc1cccc(F)c1C[NH2+][C@H](C)[C@H](C)O ZINC000336765934 635284935 /nfs/dbraw/zinc/28/49/35/635284935.db2.gz OQAABOZPELNCQY-ZJUUUORDSA-N 1 0 225.307 2.247 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000336764593 635285074 /nfs/dbraw/zinc/28/50/74/635285074.db2.gz QGXQKSIZZBTQHN-YUMQZZPRSA-N 1 0 231.698 2.338 10 0 BEAERO CC(C)(C)C(=O)CC[N@@H+]1CCCC[C@H]1CCO ZINC000054026363 635327832 /nfs/dbraw/zinc/32/78/32/635327832.db2.gz RXNYTUJMCMDAFW-LBPRGKRZSA-N 1 0 241.375 2.229 10 0 BEAERO c1cnc2c(c1)CC[C@@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000226815904 635440407 /nfs/dbraw/zinc/44/04/07/635440407.db2.gz YKWPVWBYKAUWES-STQMWFEESA-N 1 0 232.327 2.228 10 0 BEAERO Cc1cc(-c2nc([C@H](C)C[NH3+])no2)c(C)o1 ZINC000054158694 635775113 /nfs/dbraw/zinc/77/51/13/635775113.db2.gz PKGSYGHDZSNQJT-ZCFIWIBFSA-N 1 0 221.260 2.009 10 0 BEAERO CC(=O)[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000167742740 636267820 /nfs/dbraw/zinc/26/78/20/636267820.db2.gz CMALLFRMAUUKAE-STQMWFEESA-N 1 0 207.317 2.396 10 0 BEAERO CCON1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000323115784 636899244 /nfs/dbraw/zinc/89/92/44/636899244.db2.gz IYUXMEIFJZBQKP-LLVKDONJSA-N 1 0 214.353 2.036 10 0 BEAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCN(OCC)CC1 ZINC000323505498 637004756 /nfs/dbraw/zinc/00/47/56/637004756.db2.gz PHKGBCCZSHJUBK-AAEUAGOBSA-N 1 0 226.364 2.181 10 0 BEAERO CC[C@@H](NC(=O)CCCCCC[NH3+])C(C)C ZINC000042592897 637291206 /nfs/dbraw/zinc/29/12/06/637291206.db2.gz IOWQETVRTUXXLX-GFCCVEGCSA-N 1 0 228.380 2.446 10 0 BEAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc2c1NCCC2 ZINC000149480219 638501667 /nfs/dbraw/zinc/50/16/67/638501667.db2.gz TXDWOUNIQYRRGW-FZMZJTMJSA-N 1 0 246.354 2.312 10 0 BEAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cccc2c1NCCC2 ZINC000149480035 638501972 /nfs/dbraw/zinc/50/19/72/638501972.db2.gz TXDWOUNIQYRRGW-RISCZKNCSA-N 1 0 246.354 2.312 10 0 BEAERO Cc1cc(NCc2ccccc2C)nc(N)[nH+]1 ZINC000043533088 638518070 /nfs/dbraw/zinc/51/80/70/638518070.db2.gz IKFAERIBHHXZRK-UHFFFAOYSA-N 1 0 228.299 2.288 10 0 BEAERO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)c(F)c1 ZINC000348310554 638997444 /nfs/dbraw/zinc/99/74/44/638997444.db2.gz CGSVYWCEVLVNOJ-LPEHRKFASA-N 1 0 241.306 2.254 10 0 BEAERO C[C@@H](O)[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000348315864 639045197 /nfs/dbraw/zinc/04/51/97/639045197.db2.gz IHJLXRJUIGQBPE-QYNFOATHSA-N 1 0 237.318 2.431 10 0 BEAERO Cc1ccccc1[C@@H](O)C[N@@H+]1CCOC(C)(C)C1 ZINC000044159925 639894445 /nfs/dbraw/zinc/89/44/45/639894445.db2.gz FDQYKCSGEGPGQR-AWEZNQCLSA-N 1 0 249.354 2.139 10 0 BEAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCCCCC2)C1 ZINC000055086784 640433841 /nfs/dbraw/zinc/43/38/41/640433841.db2.gz CAWZCHKRKFSSJX-OLZOCXBDSA-N 1 0 238.375 2.297 10 0 BEAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCCCCCC2)C1 ZINC000055086786 640434390 /nfs/dbraw/zinc/43/43/90/640434390.db2.gz CAWZCHKRKFSSJX-STQMWFEESA-N 1 0 238.375 2.297 10 0 BEAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000164061565 640439360 /nfs/dbraw/zinc/43/93/60/640439360.db2.gz YZRDKYWXTVDFBL-VXGBXAGGSA-N 1 0 209.289 2.063 10 0 BEAERO CC[NH2+]CC(=O)N[C@H](C)c1ccc(C)cc1C ZINC000044649591 640445691 /nfs/dbraw/zinc/44/56/91/640445691.db2.gz WGZOLJAXIVTFFD-GFCCVEGCSA-N 1 0 234.343 2.090 10 0 BEAERO [NH3+]CCCCCC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044678703 640453034 /nfs/dbraw/zinc/45/30/34/640453034.db2.gz WVIRLOYYDPKDRJ-ZIAGYGMSSA-N 1 0 246.354 2.178 10 0 BEAERO [NH3+]CCCCCC(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000044678700 640453418 /nfs/dbraw/zinc/45/34/18/640453418.db2.gz WVIRLOYYDPKDRJ-KBPBESRZSA-N 1 0 246.354 2.178 10 0 BEAERO C[C@@H]1CN(c2nc(Cl)cs2)C[C@@H]1[NH+](C)C ZINC000165223758 640551529 /nfs/dbraw/zinc/55/15/29/640551529.db2.gz VBXAELDTCSCWFU-SFYZADRCSA-N 1 0 245.779 2.183 10 0 BEAERO Cc1occc1-c1noc(C[C@H]([NH3+])C(C)C)n1 ZINC000165607681 640587118 /nfs/dbraw/zinc/58/71/18/640587118.db2.gz CDAPKMLLMDAFOF-JTQLQIEISA-N 1 0 235.287 2.164 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(C)ccc1C ZINC000166565754 640648528 /nfs/dbraw/zinc/64/85/28/640648528.db2.gz LZSJJHFWCZEPNU-UONOGXRCSA-N 1 0 247.338 2.170 10 0 BEAERO Cc1cc(NCCc2cccc(F)c2)nc(N)[nH+]1 ZINC000045724783 640654440 /nfs/dbraw/zinc/65/44/40/640654440.db2.gz BABFKKDLYPYEMU-UHFFFAOYSA-N 1 0 246.289 2.161 10 0 BEAERO C[C@H]1CCC[C@H]1c1nc(C2CC[NH2+]CC2)no1 ZINC000225417992 640693207 /nfs/dbraw/zinc/69/32/07/640693207.db2.gz ULAHAEUDWMBBJW-GXSJLCMTSA-N 1 0 235.331 2.440 10 0 BEAERO Cn1nc(C(C)(C)C)nc1[C@@H]([NH3+])C(C)(C)C ZINC000054698805 640711402 /nfs/dbraw/zinc/71/14/02/640711402.db2.gz CCYHCNCTVSUURT-MRVPVSSYSA-N 1 0 224.352 2.159 10 0 BEAERO Cc1ccc(OCC[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000227567542 640839641 /nfs/dbraw/zinc/83/96/41/640839641.db2.gz HYABFOUFPNRMFC-CQSZACIVSA-N 1 0 249.354 2.078 10 0 BEAERO CC(C)c1cc(NC[C@@H]2CC[C@H]([NH3+])C2)ncn1 ZINC000227642427 640843494 /nfs/dbraw/zinc/84/34/94/640843494.db2.gz GHTWNAGRJUUNMR-MNOVXSKESA-N 1 0 234.347 2.139 10 0 BEAERO [NH3+][C@@H]1CC[C@H](CNc2ncc(Cl)cc2F)C1 ZINC000227653171 640844102 /nfs/dbraw/zinc/84/41/02/640844102.db2.gz XHNDMEQNTAPSTA-IONNQARKSA-N 1 0 243.713 2.413 10 0 BEAERO CC(C)C[C@H](C[NH+](C)C)Nc1ncc(F)cn1 ZINC000228126066 640862876 /nfs/dbraw/zinc/86/28/76/640862876.db2.gz YKIHELXXLZQWTB-LLVKDONJSA-N 1 0 240.326 2.004 10 0 BEAERO CCOC(=O)[C@@H]1C[NH2+]CC12CCCCCC2 ZINC000229219225 640934173 /nfs/dbraw/zinc/93/41/73/640934173.db2.gz GCILYESWXWNXOT-NSHDSACASA-N 1 0 225.332 2.110 10 0 BEAERO CC(C)[N@@H+]1CC[C@@]2(C1)C[C@@H](O)c1ccccc1O2 ZINC000229395749 640954038 /nfs/dbraw/zinc/95/40/38/640954038.db2.gz HQZIWKFLTRCJIE-HIFRSBDPSA-N 1 0 247.338 2.355 10 0 BEAERO C1C[NH2+][C@@H](c2nc([C@H]3CCCS3)no2)C1 ZINC000087699719 640976787 /nfs/dbraw/zinc/97/67/87/640976787.db2.gz AWCMYEPLEOWLCP-HTQZYQBOSA-N 1 0 225.317 2.062 10 0 BEAERO C1C[NH2+][C@H](c2nc([C@H]3CCCS3)no2)C1 ZINC000087699720 640977359 /nfs/dbraw/zinc/97/73/59/640977359.db2.gz AWCMYEPLEOWLCP-JGVFFNPUSA-N 1 0 225.317 2.062 10 0 BEAERO C1C[NH2+][C@@H](c2nc([C@H]3CCCCS3)no2)C1 ZINC000087700235 640978524 /nfs/dbraw/zinc/97/85/24/640978524.db2.gz CSANAKNVIQRWEK-RKDXNWHRSA-N 1 0 239.344 2.452 10 0 BEAERO CC[C@H](C)[NH2+][C@H](CO)CCc1ccccc1 ZINC000061625885 640978857 /nfs/dbraw/zinc/97/88/57/640978857.db2.gz SZQCJGWCIOBDFW-JSGCOSHPSA-N 1 0 221.344 2.368 10 0 BEAERO CC(C)CCCCCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116038 641019547 /nfs/dbraw/zinc/01/95/47/641019547.db2.gz MGYOSYFTUZJVIA-CYBMUJFWSA-N 1 0 240.391 2.319 10 0 BEAERO CN(C)[C@H](C[NH2+]Cc1ccoc1)c1ccco1 ZINC000062103355 641019767 /nfs/dbraw/zinc/01/97/67/641019767.db2.gz RAXDYCNWGMPNEF-GFCCVEGCSA-N 1 0 234.299 2.265 10 0 BEAERO Cc1cccc(Cc2noc([C@H]3CC[NH2+]C3)n2)c1 ZINC000062119741 641023795 /nfs/dbraw/zinc/02/37/95/641023795.db2.gz XBHKFYNPTBVLLZ-LBPRGKRZSA-N 1 0 243.310 2.046 10 0 BEAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2COC(C)(C)O2)o1 ZINC000230203219 641036706 /nfs/dbraw/zinc/03/67/06/641036706.db2.gz SDIQTTDHLSMAMX-QWRGUYRKSA-N 1 0 239.315 2.390 10 0 BEAERO COC1CC([NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000230675474 641079482 /nfs/dbraw/zinc/07/94/82/641079482.db2.gz NYNUGTKTELSCBJ-FNBIGBAISA-N 1 0 247.338 2.450 10 0 BEAERO Cc1ccc(N(C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000062912269 641107484 /nfs/dbraw/zinc/10/74/84/641107484.db2.gz FYRIHTHURBFBPX-CQSZACIVSA-N 1 0 218.344 2.431 10 0 BEAERO CC[C@H]([NH3+])c1nc(C2CCCCC2)nn1C ZINC000054699466 641154521 /nfs/dbraw/zinc/15/45/21/641154521.db2.gz ZOVOARYJEJZOFL-JTQLQIEISA-N 1 0 222.336 2.273 10 0 BEAERO Cc1cnc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000231739943 641199986 /nfs/dbraw/zinc/19/99/86/641199986.db2.gz NKJLFUAVHLICKJ-WODVXLOZSA-N 1 0 249.358 2.259 10 0 BEAERO CCN(CC[NH2+]CCc1ccccc1)C1CC1 ZINC000232006826 641227699 /nfs/dbraw/zinc/22/76/99/641227699.db2.gz MXKALJSZERSHIF-UHFFFAOYSA-N 1 0 232.371 2.303 10 0 BEAERO CCCC(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675074272 641325316 /nfs/dbraw/zinc/32/53/16/641325316.db2.gz SKNZAAKRSXPMFK-UHFFFAOYSA-N 1 0 226.364 2.345 10 0 BEAERO CC1(C(=O)NC2(CCC[NH3+])CCCCC2)CC1 ZINC000675074435 641325597 /nfs/dbraw/zinc/32/55/97/641325597.db2.gz XOJQAQMKJOKCFD-UHFFFAOYSA-N 1 0 238.375 2.345 10 0 BEAERO CC[C@H](NC(=O)CCCCC[NH3+])C(C)C ZINC000042592709 641554009 /nfs/dbraw/zinc/55/40/09/641554009.db2.gz CJCNMULCVSIDHK-NSHDSACASA-N 1 0 214.353 2.056 10 0 BEAERO Cc1ccc(CN(C)c2cc(C)[nH+]c(N)n2)cc1 ZINC000043532623 641566809 /nfs/dbraw/zinc/56/68/09/641566809.db2.gz IHLUTIVCPRATQD-UHFFFAOYSA-N 1 0 242.326 2.312 10 0 BEAERO C(CC1CC1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000157121148 641613989 /nfs/dbraw/zinc/61/39/89/641613989.db2.gz VSOLAWDQPIOIMZ-AWEZNQCLSA-N 1 0 222.376 2.347 10 0 BEAERO COC(C)(C)C[NH2+]CCc1ccccc1 ZINC000158964767 641660297 /nfs/dbraw/zinc/66/02/97/641660297.db2.gz KBBGOHCQLRVFME-UHFFFAOYSA-N 1 0 207.317 2.244 10 0 BEAERO CCCN(CCC)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089385567 641672349 /nfs/dbraw/zinc/67/23/49/641672349.db2.gz FDHBVMBVEMZZDO-CHWSQXEVSA-N 1 0 240.391 2.400 10 0 BEAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252747769 642431466 /nfs/dbraw/zinc/43/14/66/642431466.db2.gz SAZLBCGTMJYDCO-FRRDWIJNSA-N 1 0 242.432 2.200 10 0 BEAERO CCCc1noc([C@@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000071001607 643093376 /nfs/dbraw/zinc/09/33/76/643093376.db2.gz RJZARWHCQZYYIN-WPRPVWTQSA-N 1 0 211.309 2.109 10 0 BEAERO C[C@H]([NH2+]CCCCCCCO)[C@@H]1CCCO1 ZINC000183198217 643096143 /nfs/dbraw/zinc/09/61/43/643096143.db2.gz ZHFKYYWYUYNBEI-STQMWFEESA-N 1 0 229.364 2.086 10 0 BEAERO C[C@H]([NH2+]C[Si](C)(C)C)[C@H]1CCCO1 ZINC000183197497 643096194 /nfs/dbraw/zinc/09/61/94/643096194.db2.gz UMARNUDSFIXOGT-VHSXEESVSA-N 1 0 201.386 2.021 10 0 BEAERO COCC[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000071444030 643145018 /nfs/dbraw/zinc/14/50/18/643145018.db2.gz LNTZBSCVTATROW-UHFFFAOYSA-N 1 0 227.735 2.427 10 0 BEAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccoc1 ZINC000252837272 643122225 /nfs/dbraw/zinc/12/22/25/643122225.db2.gz AXFFVPPIOYKLEX-KGLIPLIRSA-N 1 0 234.343 2.338 10 0 BEAERO Cc1cc2c(ncnc2NCC[C@@H](C)[NH3+])s1 ZINC000082485814 643321852 /nfs/dbraw/zinc/32/18/52/643321852.db2.gz ZQYKLFZGDAWPBG-SSDOTTSWSA-N 1 0 236.344 2.149 10 0 BEAERO [NH3+]Cc1cc(-c2ccccn2)ccc1F ZINC000082505837 643331998 /nfs/dbraw/zinc/33/19/98/643331998.db2.gz BPAIGCWRSVCBAN-UHFFFAOYSA-N 1 0 202.232 2.346 10 0 BEAERO CC1(C)CCC2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757149089 643333509 /nfs/dbraw/zinc/33/35/09/643333509.db2.gz PMSRDWRNYVAFAN-UHFFFAOYSA-N 1 0 225.332 2.062 10 0 BEAERO CC[C@@H](C)c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000082561090 643343306 /nfs/dbraw/zinc/34/33/06/643343306.db2.gz YZUWOJJSOKVPAA-ZJUUUORDSA-N 1 0 223.320 2.125 10 0 BEAERO C[C@H]([NH3+])CN(C)c1nc2ccccc2s1 ZINC000082592646 643352038 /nfs/dbraw/zinc/35/20/38/643352038.db2.gz YYRZXRABIFQLIH-QMMMGPOBSA-N 1 0 221.329 2.080 10 0 BEAERO CC(C)(C)Cc1noc([C@@H]2CCC[NH2+]2)n1 ZINC000082673374 643365956 /nfs/dbraw/zinc/36/59/56/643365956.db2.gz PAJKLXJKULKWJW-QMMMGPOBSA-N 1 0 209.293 2.083 10 0 BEAERO Cc1nn(C2CCC(C)CC2)cc1C(N)=[NH2+] ZINC000757196365 643366637 /nfs/dbraw/zinc/36/66/37/643366637.db2.gz RWIMLCQDDWUKIJ-UHFFFAOYSA-N 1 0 220.320 2.227 10 0 BEAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000307174803 643418420 /nfs/dbraw/zinc/41/84/20/643418420.db2.gz FFWVASQYSKPGKC-SAVGLBRCSA-N 1 0 229.414 2.364 10 0 BEAERO CC(C)c1cnc(C[NH2+][C@H](C)[C@H](C)O)s1 ZINC000336773578 643461835 /nfs/dbraw/zinc/46/18/35/643461835.db2.gz YZCVCNZRDLEJIA-BDAKNGLRSA-N 1 0 228.361 2.125 10 0 BEAERO C[C@H](O)[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000342186903 643489127 /nfs/dbraw/zinc/48/91/27/643489127.db2.gz FFRHWOWWBPWSOK-QWRGUYRKSA-N 1 0 249.354 2.259 10 0 BEAERO CCN(C(=O)C[NH2+]CC1CC1)c1ccc(C)cc1 ZINC000049988969 643575036 /nfs/dbraw/zinc/57/50/36/643575036.db2.gz WCRBKJYDYOTFIV-UHFFFAOYSA-N 1 0 246.354 2.348 10 0 BEAERO CN(CCC[NH2+]C1CC1)c1ccccc1F ZINC000050006509 643575345 /nfs/dbraw/zinc/57/53/45/643575345.db2.gz DEHZMYQJLJHGGC-UHFFFAOYSA-N 1 0 222.307 2.404 10 0 BEAERO CC(C)c1ccc2c(c1)[C@@H](C[NH3+])CC(=O)N2 ZINC000084010667 643642439 /nfs/dbraw/zinc/64/24/39/643642439.db2.gz OZZSLNYCOOJYBS-SNVBAGLBSA-N 1 0 218.300 2.195 10 0 BEAERO CC(C)(C)c1ccc2c(c1)[C@H](C[NH3+])CC(=O)N2 ZINC000084036172 643643609 /nfs/dbraw/zinc/64/36/09/643643609.db2.gz LUAXCWXOJLVOEI-VIFPVBQESA-N 1 0 232.327 2.369 10 0 BEAERO CCCCCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309661 643657306 /nfs/dbraw/zinc/65/73/06/643657306.db2.gz BHZMETFSDJTOSN-NWDGAFQWSA-N 1 0 226.364 2.058 10 0 BEAERO [NH3+]C[C@@H](NC1CC1)c1ccc(Cl)cc1 ZINC000050271161 643672265 /nfs/dbraw/zinc/67/22/65/643672265.db2.gz OBUAQINKWUMVIY-LLVKDONJSA-N 1 0 210.708 2.092 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000050370394 643690662 /nfs/dbraw/zinc/69/06/62/643690662.db2.gz DQNZTELZIKJIPX-RWMBFGLXSA-N 1 0 209.333 2.500 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000050369039 643690916 /nfs/dbraw/zinc/69/09/16/643690916.db2.gz GMJPRUHAHJOXOQ-UONOGXRCSA-N 1 0 219.328 2.386 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000050370005 643691112 /nfs/dbraw/zinc/69/11/12/643691112.db2.gz UBPDSKHPBQUVTH-QWHCGFSZSA-N 1 0 221.300 2.049 10 0 BEAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000050368576 643691153 /nfs/dbraw/zinc/69/11/53/643691153.db2.gz JAQJOHDPJHDRBP-NWDGAFQWSA-N 1 0 249.310 2.072 10 0 BEAERO C[C@H]1C[N@H+](C[C@@H]2CCC=CO2)CCS1 ZINC000193873739 644284447 /nfs/dbraw/zinc/28/44/47/644284447.db2.gz VNWIBZRBLUIDNG-QWRGUYRKSA-N 1 0 213.346 2.116 10 0 BEAERO CCc1ccsc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000087017554 644475189 /nfs/dbraw/zinc/47/51/89/644475189.db2.gz ARONJZXRDOMGMG-ZETCQYMHSA-N 1 0 237.328 2.423 10 0 BEAERO CCC1(c2nc([C@H](C)C[NH3+])no2)CCCC1 ZINC000087318912 644489409 /nfs/dbraw/zinc/48/94/09/644489409.db2.gz LUYJCWBNPVFQPN-SECBINFHSA-N 1 0 223.320 2.354 10 0 BEAERO CC(C)CCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089393499 644548831 /nfs/dbraw/zinc/54/88/31/644548831.db2.gz DLRTXQCGSLFQNG-QWHCGFSZSA-N 1 0 240.391 2.304 10 0 BEAERO CCCCC[C@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000092052326 644645712 /nfs/dbraw/zinc/64/57/12/644645712.db2.gz NXEKQEJGNAHLHD-KBPBESRZSA-N 1 0 242.407 2.266 10 0 BEAERO C[Si](C)(C)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248001984 644660379 /nfs/dbraw/zinc/66/03/79/644660379.db2.gz KMCMGSOEMXTDHI-STQMWFEESA-N 1 0 241.451 2.491 10 0 BEAERO CC(C)(C)Cc1noc(-c2ccc(C[NH3+])o2)n1 ZINC000094555418 644719956 /nfs/dbraw/zinc/71/99/56/644719956.db2.gz BVLWOKHQUBFNLL-UHFFFAOYSA-N 1 0 235.287 2.377 10 0 BEAERO Cc1ccc(-c2nc([C@@H](C)C[NH3+])no2)c(F)c1 ZINC000094921515 644732299 /nfs/dbraw/zinc/73/22/99/644732299.db2.gz UWDMTDNQUIAXFF-QMMMGPOBSA-N 1 0 235.262 2.246 10 0 BEAERO C[NH2+][C@@H]1CCCN([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250737185 644777814 /nfs/dbraw/zinc/77/78/14/644777814.db2.gz LVUTYPCUDAFQQS-ILXRZTDVSA-N 1 0 230.355 2.226 10 0 BEAERO CC(C)[C@H]([NH3+])c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000251284594 644800887 /nfs/dbraw/zinc/80/08/87/644800887.db2.gz DZRQLGBMDHEOED-JXUBOQSCSA-N 1 0 221.304 2.239 10 0 BEAERO CCN(C/C=C\c1ccccc1)C(=O)C[NH+](C)C ZINC000096765694 644835306 /nfs/dbraw/zinc/83/53/06/644835306.db2.gz LVMSHLRJLSXHKX-FLIBITNWSA-N 1 0 246.354 2.110 10 0 BEAERO Cc1ccnc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)c1 ZINC000097068386 644867793 /nfs/dbraw/zinc/86/77/93/644867793.db2.gz NPTRBSQXIVPPKR-UWVGGRQHSA-N 1 0 244.298 2.035 10 0 BEAERO Cc1cnn(CC[NH2+]CC2(C)CCCC2)c1 ZINC000304344002 644895796 /nfs/dbraw/zinc/89/57/96/644895796.db2.gz FRTZHWOAKBTPFL-UHFFFAOYSA-N 1 0 221.348 2.361 10 0 BEAERO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000252742096 644896858 /nfs/dbraw/zinc/89/68/58/644896858.db2.gz XICZFWIKCWAPMP-SDDRHHMPSA-N 1 0 240.391 2.173 10 0 BEAERO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1cccs1 ZINC000304383791 644898439 /nfs/dbraw/zinc/89/84/39/644898439.db2.gz RIGSJVNDWUYKBH-WPRPVWTQSA-N 1 0 238.356 2.053 10 0 BEAERO [NH3+][C@H]1CC[C@@H](c2nc(CC3CCC3)no2)C1 ZINC000304620354 644922129 /nfs/dbraw/zinc/92/21/29/644922129.db2.gz PBHKONBGIPCWFY-ZJUUUORDSA-N 1 0 221.304 2.007 10 0 BEAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304619499 644922309 /nfs/dbraw/zinc/92/23/09/644922309.db2.gz SXJUGGUCAQYRLN-IKOXMDCHSA-N 1 0 223.360 2.316 10 0 BEAERO [NH3+]CCCCCc1nc(CC2CCC2)no1 ZINC000304661736 644923427 /nfs/dbraw/zinc/92/34/27/644923427.db2.gz WFYABKZREPOUJE-UHFFFAOYSA-N 1 0 223.320 2.084 10 0 BEAERO C[C@H](Cn1ccnc1)[NH2+]CCc1ccccc1 ZINC000035275203 646180027 /nfs/dbraw/zinc/18/00/27/646180027.db2.gz OHTHLENVCBWGRJ-CYBMUJFWSA-N 1 0 229.327 2.104 10 0 BEAERO CCO[C@@H]1CCC[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000721166782 711688425 /nfs/dbraw/zinc/68/84/25/711688425.db2.gz JYTPVKVTQXJFSC-CQLXCSJHSA-N 1 0 227.348 2.101 10 0 BEAERO CC(C)(C)[C@H]([NH3+])Cc1nc([C@@H]2CC23CC3)no1 ZINC000700429158 711993589 /nfs/dbraw/zinc/99/35/89/711993589.db2.gz RDBJSTUKPIWQHT-DTWKUNHWSA-N 1 0 235.331 2.253 10 0 BEAERO C[NH2+]C[C@@H](C)Nc1ncnc2sc(C)cc21 ZINC000701898548 712032015 /nfs/dbraw/zinc/03/20/15/712032015.db2.gz ITHZPIMBYHACDV-SSDOTTSWSA-N 1 0 236.344 2.020 10 0 BEAERO CC(=O)[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000708426708 712193845 /nfs/dbraw/zinc/19/38/45/712193845.db2.gz NMNUYFUQJLFPMF-STQMWFEESA-N 1 0 239.359 2.103 10 0 BEAERO CCC[C@H]1C[C@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711817735 712332784 /nfs/dbraw/zinc/33/27/84/712332784.db2.gz NTMOGAZYYUOVFI-CMPLNLGQSA-N 1 0 219.332 2.496 10 0 BEAERO CC(C)[C@H](C)[NH2+]Cc1cnn(C)c1Cl ZINC000378872213 712365456 /nfs/dbraw/zinc/36/54/56/712365456.db2.gz QOTWFJXFZPZJRK-QMMMGPOBSA-N 1 0 215.728 2.208 10 0 BEAERO COCC1CC([NH2+]C2CC(C(C)C)C2)C1 ZINC000713995805 712476851 /nfs/dbraw/zinc/47/68/51/712476851.db2.gz OESAIJYQQUHZBL-UHFFFAOYSA-N 1 0 211.349 2.436 10 0 BEAERO COCC1CC([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000713997167 712476955 /nfs/dbraw/zinc/47/69/55/712476955.db2.gz RQPPTTPUMAAOOP-PNESKVBLSA-N 1 0 209.333 2.357 10 0 BEAERO CC1(C)CCC[C@H](C[N@@H+]2CC[C@H](CCO)C2)O1 ZINC000714387043 712487199 /nfs/dbraw/zinc/48/71/99/712487199.db2.gz VFFMGJIHTMVMMX-CHWSQXEVSA-N 1 0 241.375 2.038 10 0 BEAERO C[C@H]([NH2+]C1CCC(C)CC1)c1cn(C)nn1 ZINC000715901567 712541249 /nfs/dbraw/zinc/54/12/49/712541249.db2.gz KPBUMNDPVHGDLH-YVNMAJEFSA-N 1 0 222.336 2.044 10 0 BEAERO C[C@H](C[NH2+]C1CC(C(N)=O)C1)C1CCCCC1 ZINC000716685799 712569807 /nfs/dbraw/zinc/56/98/07/712569807.db2.gz VSNGIPIPAZPOQZ-QFWMXSHPSA-N 1 0 238.375 2.056 10 0 BEAERO CC(C)(C)[NH2+]CCC(=O)NCC1CCCCC1 ZINC000037633171 712706584 /nfs/dbraw/zinc/70/65/84/712706584.db2.gz NHUMWUBBXDVWLT-UHFFFAOYSA-N 1 0 240.391 2.461 10 0 BEAERO Cc1coc(C[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000718053207 712739630 /nfs/dbraw/zinc/73/96/30/712739630.db2.gz PBDDSBIBGBARPD-LLVKDONJSA-N 1 0 211.305 2.085 10 0 BEAERO COC(=O)[C@H]1C[N@H+](CCCC(C)(F)F)C[C@@H]1C ZINC000718587925 712775878 /nfs/dbraw/zinc/77/58/78/712775878.db2.gz SIDFRFNLAUXOAC-UWVGGRQHSA-N 1 0 249.301 2.163 10 0 BEAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000718785574 712782838 /nfs/dbraw/zinc/78/28/38/712782838.db2.gz DGEHINLKZUIZKF-XQQFMLRXSA-N 1 0 243.391 2.331 10 0 BEAERO COC1CC([NH2+][C@@H]2CCC[C@@H](OC)CC2)C1 ZINC000718855892 712786127 /nfs/dbraw/zinc/78/61/27/712786127.db2.gz AFQOTKBIPXNWAG-CQLXCSJHSA-N 1 0 227.348 2.101 10 0 BEAERO COC[C@H](CCO)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719236393 712800686 /nfs/dbraw/zinc/80/06/86/712800686.db2.gz JYQBKYSJBHGGOC-QWHCGFSZSA-N 1 0 243.391 2.332 10 0 BEAERO C[C@H](C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)C(C)(C)C ZINC000720932633 712880024 /nfs/dbraw/zinc/88/00/24/712880024.db2.gz WPTAARIXFWXDNM-AGIUHOORSA-N 1 0 224.392 2.495 10 0 BEAERO